NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
6329 | 1it1 | 5333 | cing | 1-original | 10 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 21.087 14.512 2.602 2 2H ALA 1 2H ALA 1 19.744 15.038 1.704 3 3H ALA 1 3H ALA 1 21.097 14.387 0.911 4 HA ALA 1 HA ALA 1 19.532 12.649 0.898 5 1HB ALA 1 1HB ALA 1 20.991 11.894 3.366 6 2HB ALA 1 2HB ALA 1 21.995 12.530 2.063 7 3HB ALA 1 3HB ALA 1 20.981 11.113 1.786 8 HA PRO 2 HA PRO 2 16.250 13.162 3.816 9 1HB PRO 2 1HB PRO 2 14.845 10.908 3.163 10 2HB PRO 2 2HB PRO 2 14.846 12.366 2.161 11 1HG PRO 2 1HG PRO 2 16.355 9.830 1.810 12 2HG PRO 2 2HG PRO 2 15.610 10.878 0.593 13 1HD PRO 2 1HD PRO 2 18.288 10.844 1.128 14 2HD PRO 2 2HD PRO 2 17.429 12.256 0.476 15 H LYS 3 H LYS 3 15.738 12.332 5.881 16 HA LYS 3 HA LYS 3 17.427 10.039 6.788 17 1HB LYS 3 1HB LYS 3 15.923 12.126 8.375 18 2HB LYS 3 2HB LYS 3 17.147 11.012 8.978 19 1HG LYS 3 1HG LYS 3 18.674 12.102 7.153 20 2HG LYS 3 2HG LYS 3 17.498 13.416 7.206 21 1HD LYS 3 1HD LYS 3 18.578 14.213 9.014 22 2HD LYS 3 2HD LYS 3 18.031 12.786 9.896 23 1HE LYS 3 1HE LYS 3 20.041 11.566 9.318 24 2HE LYS 3 2HE LYS 3 20.557 12.852 8.208 25 1HZ LYS 3 1HZ LYS 3 20.049 13.242 11.109 26 2HZ LYS 3 2HZ LYS 3 20.666 14.393 10.023 27 3HZ LYS 3 3HZ LYS 3 21.590 13.028 10.434 28 H ALA 4 H ALA 4 15.949 8.448 5.981 29 HA ALA 4 HA ALA 4 13.236 8.119 6.224 30 1HB ALA 4 1HB ALA 4 15.374 6.526 5.679 31 2HB ALA 4 2HB ALA 4 13.731 5.908 5.856 32 3HB ALA 4 3HB ALA 4 14.854 5.835 7.216 33 HA PRO 5 HA PRO 5 12.481 8.489 10.553 34 1HB PRO 5 1HB PRO 5 9.838 7.769 10.504 35 2HB PRO 5 2HB PRO 5 10.432 9.360 9.997 36 1HG PRO 5 1HG PRO 5 9.511 7.082 8.355 37 2HG PRO 5 2HG PRO 5 9.469 8.815 8.018 38 1HD PRO 5 1HD PRO 5 11.307 6.991 6.968 39 2HD PRO 5 2HD PRO 5 11.458 8.759 6.948 40 H ALA 6 H ALA 6 11.782 7.091 12.371 41 HA ALA 6 HA ALA 6 12.893 4.484 12.273 42 1HB ALA 6 1HB ALA 6 12.761 5.600 14.353 43 2HB ALA 6 2HB ALA 6 11.543 4.332 14.488 44 3HB ALA 6 3HB ALA 6 11.056 5.990 14.132 45 H ASP 7 H ASP 7 11.900 2.458 12.196 46 HA ASP 7 HA ASP 7 9.691 2.046 10.471 47 1HB ASP 7 1HB ASP 7 10.609 0.185 12.671 48 2HB ASP 7 2HB ASP 7 9.991 -0.241 11.078 49 H GLY 8 H GLY 8 7.589 1.134 11.088 50 1HA GLY 8 1HA GLY 8 5.819 0.727 12.689 51 2HA GLY 8 2HA GLY 8 6.686 1.732 13.850 52 H LEU 9 H LEU 9 6.447 2.955 10.620 53 HA LEU 9 HA LEU 9 5.060 5.331 11.465 54 1HB LEU 9 1HB LEU 9 6.433 4.361 9.208 55 2HB LEU 9 2HB LEU 9 4.801 4.721 8.638 56 HG LEU 9 HG LEU 9 5.976 6.734 10.457 57 1HD1 LEU 9 1HD1 LEU 9 7.188 5.974 7.817 58 2HD1 LEU 9 2HD1 LEU 9 7.986 6.517 9.294 59 3HD1 LEU 9 3HD1 LEU 9 7.137 7.678 8.272 60 1HD2 LEU 9 1HD2 LEU 9 4.503 6.811 7.805 61 2HD2 LEU 9 2HD2 LEU 9 4.984 8.244 8.713 62 3HD2 LEU 9 3HD2 LEU 9 3.812 7.112 9.401 63 H LYS 10 H LYS 10 2.911 5.493 11.889 64 HA LYS 10 HA LYS 10 1.121 3.302 11.009 65 1HB LYS 10 1HB LYS 10 1.266 5.305 13.143 66 2HB LYS 10 2HB LYS 10 -0.358 5.094 12.484 67 1HG LYS 10 1HG LYS 10 0.198 2.532 12.678 68 2HG LYS 10 2HG LYS 10 1.399 3.079 13.850 69 1HD LYS 10 1HD LYS 10 -0.751 4.512 14.677 70 2HD LYS 10 2HD LYS 10 -1.561 3.082 14.038 71 1HE LYS 10 1HE LYS 10 -0.772 1.743 15.715 72 2HE LYS 10 2HE LYS 10 0.827 2.514 15.699 73 1HZ LYS 10 1HZ LYS 10 -0.186 3.214 17.691 74 2HZ LYS 10 2HZ LYS 10 -1.672 3.527 16.930 75 3HZ LYS 10 3HZ LYS 10 -0.335 4.531 16.632 76 H MET 11 H MET 11 0.197 3.542 9.056 77 HA MET 11 HA MET 11 -0.351 6.209 7.904 78 1HB MET 11 1HB MET 11 -0.231 3.360 7.057 79 2HB MET 11 2HB MET 11 -1.386 4.366 6.186 80 1HG MET 11 1HG MET 11 0.493 6.039 5.855 81 2HG MET 11 2HG MET 11 1.588 4.804 6.477 82 1HE MET 11 1HE MET 11 1.148 6.538 4.043 83 2HE MET 11 2HE MET 11 0.108 5.914 2.766 84 3HE MET 11 3HE MET 11 1.836 5.578 2.727 85 H ASP 12 H ASP 12 -2.065 7.020 9.222 86 HA ASP 12 HA ASP 12 -4.526 5.313 9.366 87 1HB ASP 12 1HB ASP 12 -5.066 7.146 11.137 88 2HB ASP 12 2HB ASP 12 -3.839 5.944 11.515 89 H LYS 13 H LYS 13 -3.499 7.203 7.146 90 HA LYS 13 HA LYS 13 -5.073 9.519 6.906 91 1HB LYS 13 1HB LYS 13 -3.944 7.466 5.023 92 2HB LYS 13 2HB LYS 13 -4.865 8.828 4.394 93 1HG LYS 13 1HG LYS 13 -2.430 9.026 6.193 94 2HG LYS 13 2HG LYS 13 -2.448 9.347 4.458 95 1HD LYS 13 1HD LYS 13 -4.267 11.081 4.945 96 2HD LYS 13 2HD LYS 13 -3.844 10.894 6.647 97 1HE LYS 13 1HE LYS 13 -1.362 11.228 5.561 98 2HE LYS 13 2HE LYS 13 -2.339 12.238 4.478 99 1HZ LYS 13 1HZ LYS 13 -1.902 12.489 7.358 100 2HZ LYS 13 2HZ LYS 13 -3.449 12.878 6.771 101 3HZ LYS 13 3HZ LYS 13 -2.083 13.700 6.183 102 H THR 14 H THR 14 -5.969 6.143 6.501 103 HA THR 14 HA THR 14 -8.753 6.997 5.755 104 HB THR 14 HB THR 14 -8.832 4.584 4.887 105 HG1 THR 14 1HG THR 14 -7.065 3.774 5.976 106 1HG2 THR 14 1HG2 THR 14 -6.793 6.467 3.674 107 2HG2 THR 14 2HG2 THR 14 -8.537 6.556 3.423 108 3HG2 THR 14 3HG2 THR 14 -7.631 5.164 2.831 109 H LYS 15 H LYS 15 -10.193 4.803 6.365 110 HA LYS 15 HA LYS 15 -10.384 4.855 9.257 111 1HB LYS 15 1HB LYS 15 -11.744 3.607 6.915 112 2HB LYS 15 2HB LYS 15 -11.997 2.835 8.480 113 1HG LYS 15 1HG LYS 15 -13.578 4.400 8.866 114 2HG LYS 15 2HG LYS 15 -12.258 5.560 9.022 115 1HD LYS 15 1HD LYS 15 -12.365 6.023 6.607 116 2HD LYS 15 2HD LYS 15 -13.671 4.851 6.433 117 1HE LYS 15 1HE LYS 15 -14.545 6.514 8.502 118 2HE LYS 15 2HE LYS 15 -13.812 7.624 7.326 119 1HZ LYS 15 1HZ LYS 15 -15.918 7.307 6.456 120 2HZ LYS 15 2HZ LYS 15 -15.988 5.674 6.923 121 3HZ LYS 15 3HZ LYS 15 -15.014 6.146 5.612 122 H GLN 16 H GLN 16 -8.862 2.758 6.903 123 HA GLN 16 HA GLN 16 -8.255 0.727 9.005 124 1HB GLN 16 1HB GLN 16 -8.432 0.838 6.021 125 2HB GLN 16 2HB GLN 16 -7.313 -0.331 6.725 126 1HG GLN 16 1HG GLN 16 -8.994 -1.586 7.665 127 2HG GLN 16 2HG GLN 16 -10.037 -0.188 7.920 128 1HE2 GLN 16 2HE2 GLN 16 -8.812 -2.361 5.340 129 2HE2 GLN 16 1HE2 GLN 16 -10.130 -2.121 4.297 130 HA PRO 17 HA PRO 17 -4.459 3.327 8.792 131 1HB PRO 17 1HB PRO 17 -3.786 2.913 11.421 132 2HB PRO 17 2HB PRO 17 -4.892 4.194 10.885 133 1HG PRO 17 1HG PRO 17 -5.525 1.500 12.006 134 2HG PRO 17 2HG PRO 17 -6.267 3.070 12.362 135 1HD PRO 17 1HD PRO 17 -7.437 1.290 10.716 136 2HD PRO 17 2HD PRO 17 -7.562 3.044 10.446 137 H VAL 18 H VAL 18 -2.463 2.487 8.282 138 HA VAL 18 HA VAL 18 -1.868 -0.335 9.092 139 HB VAL 18 HB VAL 18 -1.606 1.173 6.486 140 1HG1 VAL 18 1HG1 VAL 18 -0.397 -1.526 7.136 141 2HG1 VAL 18 2HG1 VAL 18 0.523 -0.025 7.044 142 3HG1 VAL 18 3HG1 VAL 18 -0.283 -0.654 5.607 143 1HG2 VAL 18 1HG2 VAL 18 -3.142 -1.162 7.540 144 2HG2 VAL 18 2HG2 VAL 18 -2.625 -1.224 5.855 145 3HG2 VAL 18 3HG2 VAL 18 -3.648 0.098 6.415 146 H VAL 19 H VAL 19 0.184 -0.614 9.961 147 HA VAL 19 HA VAL 19 1.861 1.780 10.347 148 HB VAL 19 HB VAL 19 2.006 -1.103 11.280 149 1HG1 VAL 19 1HG1 VAL 19 3.687 1.319 11.982 150 2HG1 VAL 19 2HG1 VAL 19 4.246 -0.210 11.305 151 3HG1 VAL 19 3HG1 VAL 19 3.642 -0.147 12.961 152 1HG2 VAL 19 1HG2 VAL 19 0.187 0.725 12.020 153 2HG2 VAL 19 2HG2 VAL 19 1.503 1.221 13.084 154 3HG2 VAL 19 3HG2 VAL 19 0.873 -0.424 13.170 155 H PHE 20 H PHE 20 3.470 2.258 8.868 156 HA PHE 20 HA PHE 20 4.478 0.097 7.085 157 1HB PHE 20 1HB PHE 20 3.716 2.228 6.098 158 2HB PHE 20 2HB PHE 20 4.868 3.112 7.094 159 HD1 PHE 20 HD1 PHE 20 4.870 0.128 4.815 160 HD2 PHE 20 HD2 PHE 20 6.885 3.706 6.064 161 HE1 PHE 20 HE1 PHE 20 6.642 -0.273 3.127 162 HE2 PHE 20 HE2 PHE 20 8.650 3.305 4.379 163 HZ PHE 20 HZ PHE 20 8.533 1.316 2.909 164 H ASN 21 H ASN 21 6.412 -0.866 7.578 165 HA ASN 21 HA ASN 21 8.191 0.463 9.563 166 1HB ASN 21 1HB ASN 21 7.201 -2.174 9.031 167 2HB ASN 21 2HB ASN 21 8.952 -2.187 8.873 168 1HD2 ASN 21 2HD2 ASN 21 6.613 -0.561 11.096 169 2HD2 ASN 21 1HD2 ASN 21 7.442 -0.988 12.513 170 H HIS 22 H HIS 22 9.447 1.857 8.229 171 HA HIS 22 HA HIS 22 10.403 1.426 5.639 172 1HB HIS 22 1HB HIS 22 11.427 2.819 8.096 173 2HB HIS 22 2HB HIS 22 12.442 2.769 6.657 174 HD1 HIS 22 HD1 HIS 22 9.641 4.570 8.148 175 HD2 HIS 22 HD2 HIS 22 11.018 3.905 4.265 176 HE1 HIS 22 HE1 HIS 22 8.622 6.382 6.706 177 H SER 23 H SER 23 11.604 0.107 8.699 178 HA SER 23 HA SER 23 14.098 -0.938 7.982 179 1HB SER 23 1HB SER 23 13.566 -1.357 10.181 180 2HB SER 23 2HB SER 23 11.865 -1.634 9.817 181 HG SER 23 HG SER 23 12.755 -3.593 10.352 182 H THR 24 H THR 24 10.871 -2.335 7.376 183 HA THR 24 HA THR 24 11.927 -4.669 5.976 184 HB THR 24 HB THR 24 9.161 -3.942 5.424 185 HG1 THR 24 1HG THR 24 8.576 -3.257 7.308 186 1HG2 THR 24 1HG2 THR 24 9.360 -6.203 5.416 187 2HG2 THR 24 2HG2 THR 24 9.131 -6.060 7.159 188 3HG2 THR 24 3HG2 THR 24 10.759 -6.177 6.490 189 H HIS 25 H HIS 25 11.815 -1.454 5.152 190 HA HIS 25 HA HIS 25 11.520 -2.079 2.247 191 1HB HIS 25 1HB HIS 25 10.761 0.374 3.860 192 2HB HIS 25 2HB HIS 25 10.548 0.193 2.122 193 HD1 HIS 25 HD1 HIS 25 9.233 -1.038 5.407 194 HD2 HIS 25 HD2 HIS 25 8.478 -1.616 1.349 195 HE1 HIS 25 HE1 HIS 25 7.070 -2.347 5.261 196 H LYS 26 H LYS 26 13.599 -0.942 4.708 197 HA LYS 26 HA LYS 26 15.125 1.096 3.534 198 1HB LYS 26 1HB LYS 26 16.042 -1.350 5.086 199 2HB LYS 26 2HB LYS 26 16.965 0.142 4.904 200 1HG LYS 26 1HG LYS 26 14.919 1.337 5.897 201 2HG LYS 26 2HG LYS 26 14.357 -0.267 6.366 202 1HD LYS 26 1HD LYS 26 16.955 1.057 7.190 203 2HD LYS 26 2HD LYS 26 15.583 0.675 8.232 204 1HE LYS 26 1HE LYS 26 15.932 -1.715 7.915 205 2HE LYS 26 2HE LYS 26 17.210 -1.403 6.722 206 1HZ LYS 26 1HZ LYS 26 18.199 -1.760 8.881 207 2HZ LYS 26 2HZ LYS 26 17.218 -0.557 9.572 208 3HZ LYS 26 3HZ LYS 26 18.406 -0.138 8.432 209 H ALA 27 H ALA 27 14.977 -2.324 2.738 210 HA ALA 27 HA ALA 27 17.305 -2.235 0.945 211 1HB ALA 27 1HB ALA 27 16.840 -4.266 2.144 212 2HB ALA 27 2HB ALA 27 16.428 -4.587 0.460 213 3HB ALA 27 3HB ALA 27 15.152 -4.254 1.632 214 H VAL 28 H VAL 28 14.138 -1.155 0.738 215 HA VAL 28 HA VAL 28 13.649 -1.889 -2.072 216 HB VAL 28 HB VAL 28 12.272 -0.159 -0.008 217 1HG1 VAL 28 1HG1 VAL 28 11.400 -0.811 -2.832 218 2HG1 VAL 28 2HG1 VAL 28 11.816 0.787 -2.210 219 3HG1 VAL 28 3HG1 VAL 28 10.384 -0.045 -1.611 220 1HG2 VAL 28 1HG2 VAL 28 10.582 -1.956 -0.081 221 2HG2 VAL 28 2HG2 VAL 28 12.168 -2.600 0.348 222 3HG2 VAL 28 3HG2 VAL 28 11.544 -2.808 -1.289 223 H LYS 29 H LYS 29 12.997 0.116 -3.511 224 HA LYS 29 HA LYS 29 15.344 1.909 -3.506 225 1HB LYS 29 1HB LYS 29 13.486 0.787 -5.398 226 2HB LYS 29 2HB LYS 29 13.525 2.545 -5.560 227 1HG LYS 29 1HG LYS 29 15.341 2.081 -6.874 228 2HG LYS 29 2HG LYS 29 16.160 2.087 -5.311 229 1HD LYS 29 1HD LYS 29 15.973 -0.329 -5.142 230 2HD LYS 29 2HD LYS 29 14.993 -0.394 -6.608 231 1HE LYS 29 1HE LYS 29 16.815 0.053 -8.007 232 2HE LYS 29 2HE LYS 29 17.736 0.848 -6.714 233 1HZ LYS 29 1HZ LYS 29 18.158 -1.175 -5.664 234 2HZ LYS 29 2HZ LYS 29 18.381 -1.536 -7.309 235 3HZ LYS 29 3HZ LYS 29 16.947 -1.994 -6.522 236 H CYS 30 H CYS 30 15.087 3.530 -2.072 237 HA CYS 30 HA CYS 30 12.800 4.730 -1.031 238 1HB CYS 30 1HB CYS 30 15.521 5.802 -1.793 239 2HB CYS 30 2HB CYS 30 14.333 6.828 -0.993 240 H GLY 31 H GLY 31 14.102 5.001 -4.256 241 1HA GLY 31 1HA GLY 31 12.385 7.304 -4.932 242 2HA GLY 31 2HA GLY 31 13.513 6.501 -6.026 243 H ASP 32 H ASP 32 12.105 3.904 -4.816 244 HA ASP 32 HA ASP 32 10.245 3.645 -7.066 245 1HB ASP 32 1HB ASP 32 11.799 1.992 -5.418 246 2HB ASP 32 2HB ASP 32 10.138 1.585 -5.004 247 H CYS 33 H CYS 33 10.097 4.122 -3.569 248 HA CYS 33 HA CYS 33 7.130 4.063 -3.564 249 1HB CYS 33 1HB CYS 33 9.370 4.280 -1.550 250 2HB CYS 33 2HB CYS 33 7.730 4.715 -1.079 251 H HIS 34 H HIS 34 9.719 6.340 -2.559 252 HA HIS 34 HA HIS 34 7.892 8.650 -2.864 253 1HB HIS 34 1HB HIS 34 10.800 8.300 -2.048 254 2HB HIS 34 2HB HIS 34 9.975 9.850 -2.075 255 HD1 HIS 34 HD1 HIS 34 7.594 9.791 -0.578 256 HD2 HIS 34 HD2 HIS 34 10.591 7.066 0.403 257 HE1 HIS 34 HE1 HIS 34 7.145 9.050 1.803 258 H HIS 35 H HIS 35 8.301 7.276 -5.290 259 HA HIS 35 HA HIS 35 10.343 7.726 -7.010 260 1HB HIS 35 1HB HIS 35 8.502 8.234 -8.726 261 2HB HIS 35 2HB HIS 35 8.311 6.767 -7.785 262 HD1 HIS 35 HD1 HIS 35 7.059 10.258 -8.045 263 HD2 HIS 35 HD2 HIS 35 6.049 6.738 -6.080 264 HE1 HIS 35 HE1 HIS 35 4.790 10.660 -7.001 265 HA PRO 36 HA PRO 36 11.388 11.912 -7.462 266 1HB PRO 36 1HB PRO 36 11.642 12.191 -10.181 267 2HB PRO 36 2HB PRO 36 12.820 11.329 -9.169 268 1HG PRO 36 1HG PRO 36 10.592 10.231 -10.827 269 2HG PRO 36 2HG PRO 36 12.258 9.651 -10.656 270 1HD PRO 36 1HD PRO 36 10.219 8.481 -9.357 271 2HD PRO 36 2HD PRO 36 11.836 8.621 -8.628 272 H VAL 37 H VAL 37 9.813 13.347 -6.929 273 HA VAL 37 HA VAL 37 7.660 13.917 -8.939 274 HB VAL 37 HB VAL 37 7.728 13.803 -5.924 275 1HG1 VAL 37 1HG1 VAL 37 5.262 14.672 -6.258 276 2HG1 VAL 37 2HG1 VAL 37 5.927 15.394 -7.724 277 3HG1 VAL 37 3HG1 VAL 37 6.591 15.826 -6.148 278 1HG2 VAL 37 1HG2 VAL 37 6.087 12.541 -8.127 279 2HG2 VAL 37 2HG2 VAL 37 5.567 12.509 -6.442 280 3HG2 VAL 37 3HG2 VAL 37 7.082 11.736 -6.913 281 H ASN 38 H ASN 38 7.068 16.212 -9.079 282 HA ASN 38 HA ASN 38 7.710 18.494 -9.287 283 1HB ASN 38 1HB ASN 38 7.146 17.935 -6.833 284 2HB ASN 38 2HB ASN 38 8.869 17.984 -6.556 285 1HD2 ASN 38 2HD2 ASN 38 8.817 20.140 -8.903 286 2HD2 ASN 38 1HD2 ASN 38 8.448 21.565 -8.059 287 H GLY 39 H GLY 39 9.844 16.253 -9.844 288 1HA GLY 39 1HA GLY 39 11.990 16.605 -10.863 289 2HA GLY 39 2HA GLY 39 12.120 18.137 -9.994 290 H LYS 40 H LYS 40 10.991 16.301 -7.633 291 HA LYS 40 HA LYS 40 13.569 14.932 -6.972 292 1HB LYS 40 1HB LYS 40 13.380 16.122 -4.699 293 2HB LYS 40 2HB LYS 40 13.878 17.117 -6.068 294 1HG LYS 40 1HG LYS 40 11.519 17.843 -6.368 295 2HG LYS 40 2HG LYS 40 11.070 16.904 -4.945 296 1HD LYS 40 1HD LYS 40 13.321 18.546 -4.273 297 2HD LYS 40 2HD LYS 40 12.093 19.561 -5.030 298 1HE LYS 40 1HE LYS 40 10.683 19.361 -3.252 299 2HE LYS 40 2HE LYS 40 10.997 17.621 -3.096 300 1HZ LYS 40 1HZ LYS 40 12.036 18.516 -1.235 301 2HZ LYS 40 2HZ LYS 40 12.598 19.883 -2.072 302 3HZ LYS 40 3HZ LYS 40 13.313 18.365 -2.340 303 H GLU 41 H GLU 41 13.256 13.114 -5.646 304 HA GLU 41 HA GLU 41 10.653 11.949 -5.443 305 1HB GLU 41 1HB GLU 41 13.326 11.468 -4.121 306 2HB GLU 41 2HB GLU 41 11.927 10.465 -3.747 307 1HG GLU 41 1HG GLU 41 11.799 9.608 -5.927 308 2HG GLU 41 2HG GLU 41 12.719 10.947 -6.611 309 H ASP 42 H ASP 42 9.048 12.857 -4.180 310 HA ASP 42 HA ASP 42 9.562 14.527 -1.891 311 1HB ASP 42 1HB ASP 42 7.177 13.019 -2.961 312 2HB ASP 42 2HB ASP 42 7.081 14.008 -1.505 313 H TYR 43 H TYR 43 10.802 13.510 -0.333 314 HA TYR 43 HA TYR 43 10.300 10.760 0.522 315 1HB TYR 43 1HB TYR 43 12.008 13.008 1.643 316 2HB TYR 43 2HB TYR 43 12.119 11.314 2.124 317 HD1 TYR 43 HD1 TYR 43 13.259 13.795 -0.181 318 HD2 TYR 43 HD2 TYR 43 12.540 9.578 0.226 319 HE1 TYR 43 HE1 TYR 43 14.771 13.351 -2.095 320 HE2 TYR 43 HE2 TYR 43 14.053 9.136 -1.687 321 HH TYR 43 HH TYR 43 16.255 10.979 -2.753 322 H GLN 44 H GLN 44 7.900 12.024 0.824 323 HA GLN 44 HA GLN 44 7.699 12.452 3.789 324 1HB GLN 44 1HB GLN 44 5.908 14.104 3.217 325 2HB GLN 44 2HB GLN 44 7.480 14.559 2.559 326 1HG GLN 44 1HG GLN 44 6.748 13.325 0.420 327 2HG GLN 44 2HG GLN 44 5.121 13.367 1.099 328 1HE2 GLN 44 2HE2 GLN 44 5.977 16.059 2.448 329 2HE2 GLN 44 1HE2 GLN 44 5.791 17.190 1.197 330 H LYS 45 H LYS 45 5.383 12.027 4.554 331 HA LYS 45 HA LYS 45 4.509 9.448 4.196 332 1HB LYS 45 1HB LYS 45 3.188 12.054 4.829 333 2HB LYS 45 2HB LYS 45 2.159 10.639 4.610 334 1HG LYS 45 1HG LYS 45 3.002 9.561 6.468 335 2HG LYS 45 2HG LYS 45 4.579 10.341 6.334 336 1HD LYS 45 1HD LYS 45 3.375 11.218 8.282 337 2HD LYS 45 2HD LYS 45 3.560 12.483 7.067 338 1HE LYS 45 1HE LYS 45 1.138 11.077 6.480 339 2HE LYS 45 2HE LYS 45 1.125 11.504 8.202 340 1HZ LYS 45 1HZ LYS 45 0.471 13.488 7.324 341 2HZ LYS 45 2HZ LYS 45 1.298 13.252 5.858 342 3HZ LYS 45 3HZ LYS 45 2.150 13.715 7.253 343 H CYS 46 H CYS 46 3.392 8.303 2.650 344 HA CYS 46 HA CYS 46 3.298 9.071 -0.043 345 1HB CYS 46 1HB CYS 46 1.507 7.160 1.476 346 2HB CYS 46 2HB CYS 46 1.817 7.116 -0.254 347 H ALA 47 H ALA 47 0.692 9.265 2.374 348 HA ALA 47 HA ALA 47 -1.107 10.583 0.437 349 1HB ALA 47 1HB ALA 47 -2.590 9.565 1.786 350 2HB ALA 47 2HB ALA 47 -2.067 10.587 3.125 351 3HB ALA 47 3HB ALA 47 -1.270 9.042 2.833 352 H THR 48 H THR 48 1.147 12.166 0.830 353 HA THR 48 HA THR 48 1.302 14.003 2.868 354 HB THR 48 HB THR 48 1.408 15.121 0.135 355 HG1 THR 48 1HG THR 48 3.105 12.985 0.878 356 1HG2 THR 48 1HG2 THR 48 3.636 15.777 0.868 357 2HG2 THR 48 2HG2 THR 48 3.510 14.727 2.279 358 3HG2 THR 48 3HG2 THR 48 2.474 16.147 2.143 359 H ALA 49 H ALA 49 0.528 16.317 2.828 360 HA ALA 49 HA ALA 49 -2.340 16.444 2.901 361 1HB ALA 49 1HB ALA 49 -0.177 17.896 3.811 362 2HB ALA 49 2HB ALA 49 -1.860 18.398 3.951 363 3HB ALA 49 3HB ALA 49 -0.878 18.971 2.604 364 H GLY 50 H GLY 50 -2.264 15.511 0.508 365 1HA GLY 50 1HA GLY 50 -3.654 16.645 -1.351 366 2HA GLY 50 2HA GLY 50 -2.310 17.788 -1.429 367 H CYS 51 H CYS 51 -1.814 14.386 -0.797 368 HA CYS 51 HA CYS 51 -0.567 14.107 -3.505 369 1HB CYS 51 1HB CYS 51 0.533 14.099 -0.947 370 2HB CYS 51 2HB CYS 51 0.436 12.394 -1.354 371 H HIS 52 H HIS 52 -1.125 11.685 -0.975 372 HA HIS 52 HA HIS 52 -2.975 10.243 -2.837 373 1HB HIS 52 1HB HIS 52 -0.850 9.322 -0.901 374 2HB HIS 52 2HB HIS 52 -2.040 8.228 -1.556 375 HD1 HIS 52 HD1 HIS 52 -2.187 8.848 -4.394 376 HD2 HIS 52 HD2 HIS 52 1.445 9.000 -2.387 377 HE1 HIS 52 HE1 HIS 52 -0.389 8.501 -6.155 378 H ASP 53 H ASP 53 -3.475 12.253 -0.620 379 HA ASP 53 HA ASP 53 -4.655 10.663 1.559 380 1HB ASP 53 1HB ASP 53 -3.404 12.889 1.726 381 2HB ASP 53 2HB ASP 53 -4.844 13.634 1.033 382 H ASN 54 H ASN 54 -5.785 10.551 -1.292 383 HA ASN 54 HA ASN 54 -8.373 11.909 -1.081 384 1HB ASN 54 1HB ASN 54 -8.255 11.568 -3.309 385 2HB ASN 54 2HB ASN 54 -6.713 10.766 -3.060 386 1HD2 ASN 54 2HD2 ASN 54 -9.624 10.305 -4.521 387 2HD2 ASN 54 1HD2 ASN 54 -9.736 8.613 -4.441 388 H MET 55 H MET 55 -9.837 11.117 0.372 389 HA MET 55 HA MET 55 -9.774 8.318 1.237 390 1HB MET 55 1HB MET 55 -11.663 10.619 1.834 391 2HB MET 55 2HB MET 55 -11.539 9.123 2.756 392 1HG MET 55 1HG MET 55 -9.278 11.101 2.358 393 2HG MET 55 2HG MET 55 -10.263 10.974 3.816 394 1HE MET 55 1HE MET 55 -7.049 10.434 2.613 395 2HE MET 55 2HE MET 55 -7.689 9.267 1.459 396 3HE MET 55 3HE MET 55 -6.582 8.732 2.719 397 H ASP 56 H ASP 56 -10.668 9.249 -1.616 398 HA ASP 56 HA ASP 56 -13.488 8.471 -1.744 399 1HB ASP 56 1HB ASP 56 -11.776 9.957 -3.265 400 2HB ASP 56 2HB ASP 56 -11.770 8.439 -4.163 401 H LYS 57 H LYS 57 -10.503 6.827 -1.571 402 HA LYS 57 HA LYS 57 -9.875 4.586 -2.017 403 1HB LYS 57 1HB LYS 57 -12.806 4.193 -1.356 404 2HB LYS 57 2HB LYS 57 -11.490 3.063 -1.055 405 1HG LYS 57 1HG LYS 57 -10.708 4.241 0.761 406 2HG LYS 57 2HG LYS 57 -11.231 5.794 0.112 407 1HD LYS 57 1HD LYS 57 -12.573 5.070 2.093 408 2HD LYS 57 2HD LYS 57 -13.553 5.288 0.642 409 1HE LYS 57 1HE LYS 57 -12.893 2.671 0.350 410 2HE LYS 57 2HE LYS 57 -12.913 2.793 2.121 411 1HZ LYS 57 1HZ LYS 57 -15.044 4.195 1.648 412 2HZ LYS 57 2HZ LYS 57 -15.132 2.498 1.695 413 3HZ LYS 57 3HZ LYS 57 -15.078 3.308 0.202 414 H LYS 58 H LYS 58 -11.161 6.208 -4.285 415 HA LYS 58 HA LYS 58 -11.761 3.863 -6.035 416 1HB LYS 58 1HB LYS 58 -13.733 4.929 -6.848 417 2HB LYS 58 2HB LYS 58 -13.796 5.122 -5.097 418 1HG LYS 58 1HG LYS 58 -14.129 7.320 -5.587 419 2HG LYS 58 2HG LYS 58 -12.379 7.344 -5.807 420 1HD LYS 58 1HD LYS 58 -12.573 7.673 -8.031 421 2HD LYS 58 2HD LYS 58 -13.760 6.377 -8.187 422 1HE LYS 58 1HE LYS 58 -15.577 7.831 -7.662 423 2HE LYS 58 2HE LYS 58 -14.486 9.093 -7.056 424 1HZ LYS 58 1HZ LYS 58 -15.383 9.169 -9.507 425 2HZ LYS 58 2HZ LYS 58 -14.092 8.100 -9.785 426 3HZ LYS 58 3HZ LYS 58 -13.797 9.646 -9.145 427 H ASP 59 H ASP 59 -10.549 7.147 -5.670 428 HA ASP 59 HA ASP 59 -10.127 7.960 -8.316 429 1HB ASP 59 1HB ASP 59 -9.606 9.411 -6.494 430 2HB ASP 59 2HB ASP 59 -8.509 8.230 -5.775 431 H LYS 60 H LYS 60 -9.435 6.433 -9.832 432 HA LYS 60 HA LYS 60 -7.208 4.601 -9.208 433 1HB LYS 60 1HB LYS 60 -9.342 4.951 -11.205 434 2HB LYS 60 2HB LYS 60 -7.824 4.369 -11.891 435 1HG LYS 60 1HG LYS 60 -8.939 3.123 -9.387 436 2HG LYS 60 2HG LYS 60 -9.520 2.615 -10.974 437 1HD LYS 60 1HD LYS 60 -6.570 2.796 -10.633 438 2HD LYS 60 2HD LYS 60 -7.384 1.479 -9.789 439 1HE LYS 60 1HE LYS 60 -8.189 0.524 -11.794 440 2HE LYS 60 2HE LYS 60 -7.950 2.027 -12.708 441 1HZ LYS 60 1HZ LYS 60 -5.836 0.293 -11.543 442 2HZ LYS 60 2HZ LYS 60 -5.546 1.822 -12.224 443 3HZ LYS 60 3HZ LYS 60 -6.137 0.556 -13.192 444 H SER 61 H SER 61 -6.706 7.550 -9.294 445 HA SER 61 HA SER 61 -4.892 7.708 -11.673 446 1HB SER 61 1HB SER 61 -6.706 9.520 -10.264 447 2HB SER 61 2HB SER 61 -5.108 10.224 -10.495 448 HG SER 61 HG SER 61 -5.310 9.607 -12.725 449 H ALA 62 H ALA 62 -3.278 9.805 -10.656 450 HA ALA 62 HA ALA 62 -1.596 8.281 -8.740 451 1HB ALA 62 1HB ALA 62 -0.570 10.834 -9.666 452 2HB ALA 62 2HB ALA 62 -1.191 9.884 -11.016 453 3HB ALA 62 3HB ALA 62 0.056 9.214 -9.967 454 H LYS 63 H LYS 63 -4.112 9.754 -7.904 455 HA LYS 63 HA LYS 63 -2.824 11.467 -5.816 456 1HB LYS 63 1HB LYS 63 -4.049 12.495 -7.999 457 2HB LYS 63 2HB LYS 63 -5.451 12.291 -6.944 458 1HG LYS 63 1HG LYS 63 -3.119 13.444 -5.576 459 2HG LYS 63 2HG LYS 63 -3.731 14.451 -6.888 460 1HD LYS 63 1HD LYS 63 -5.919 13.353 -5.331 461 2HD LYS 63 2HD LYS 63 -4.800 14.246 -4.300 462 1HE LYS 63 1HE LYS 63 -4.971 16.213 -5.751 463 2HE LYS 63 2HE LYS 63 -6.023 15.320 -6.868 464 1HZ LYS 63 1HZ LYS 63 -7.458 16.471 -5.409 465 2HZ LYS 63 2HZ LYS 63 -6.559 16.025 -4.037 466 3HZ LYS 63 3HZ LYS 63 -7.466 14.860 -4.879 467 H GLY 64 H GLY 64 -4.162 8.687 -5.955 468 1HA GLY 64 1HA GLY 64 -6.175 9.245 -3.821 469 2HA GLY 64 2HA GLY 64 -6.437 7.993 -5.026 470 H TYR 65 H TYR 65 -5.746 8.265 -1.928 471 HA TYR 65 HA TYR 65 -3.391 6.860 -1.320 472 1HB TYR 65 1HB TYR 65 -5.505 7.891 0.013 473 2HB TYR 65 2HB TYR 65 -5.928 6.184 0.112 474 HD1 TYR 65 HD1 TYR 65 -2.467 7.545 -0.002 475 HD2 TYR 65 HD2 TYR 65 -5.549 5.827 2.444 476 HE1 TYR 65 HE1 TYR 65 -0.838 7.255 1.844 477 HE2 TYR 65 HE2 TYR 65 -3.922 5.537 4.289 478 HH TYR 65 HH TYR 65 -1.512 5.348 4.601 479 H TYR 66 H TYR 66 -6.624 5.350 -1.447 480 HA TYR 66 HA TYR 66 -6.073 2.679 -1.455 481 1HB TYR 66 1HB TYR 66 -8.198 4.225 -1.901 482 2HB TYR 66 2HB TYR 66 -7.911 3.717 -3.564 483 HD1 TYR 66 HD1 TYR 66 -9.075 2.743 -0.287 484 HD2 TYR 66 HD2 TYR 66 -7.847 1.265 -4.120 485 HE1 TYR 66 HE1 TYR 66 -10.156 0.560 0.206 486 HE2 TYR 66 HE2 TYR 66 -8.918 -0.918 -3.631 487 HH TYR 66 HH TYR 66 -10.789 -1.748 -2.136 488 H HIS 67 H HIS 67 -6.509 4.319 -4.600 489 HA HIS 67 HA HIS 67 -5.659 2.412 -6.344 490 1HB HIS 67 1HB HIS 67 -6.356 4.587 -7.079 491 2HB HIS 67 2HB HIS 67 -4.984 5.359 -6.277 492 HD1 HIS 67 HD1 HIS 67 -5.586 2.732 -8.968 493 HD2 HIS 67 HD2 HIS 67 -2.788 5.644 -7.941 494 HE1 HIS 67 HE1 HIS 67 -3.806 2.673 -10.761 495 H ALA 68 H ALA 68 -3.208 4.865 -5.675 496 HA ALA 68 HA ALA 68 -0.958 3.433 -6.399 497 1HB ALA 68 1HB ALA 68 -1.272 5.351 -4.064 498 2HB ALA 68 2HB ALA 68 -1.061 5.819 -5.752 499 3HB ALA 68 3HB ALA 68 0.241 4.991 -4.896 500 H MET 69 H MET 69 -2.868 2.956 -3.488 501 HA MET 69 HA MET 69 -0.748 1.387 -2.171 502 1HB MET 69 1HB MET 69 -3.612 2.072 -1.489 503 2HB MET 69 2HB MET 69 -2.499 1.242 -0.405 504 1HG MET 69 1HG MET 69 -1.341 3.666 -1.557 505 2HG MET 69 2HG MET 69 -2.795 3.992 -0.615 506 1HE MET 69 1HE MET 69 0.335 4.309 -0.779 507 2HE MET 69 2HE MET 69 1.277 3.636 0.549 508 3HE MET 69 3HE MET 69 0.289 5.069 0.819 509 H HIS 70 H HIS 70 -3.835 0.739 -3.844 510 HA HIS 70 HA HIS 70 -3.377 -2.167 -3.327 511 1HB HIS 70 1HB HIS 70 -5.845 -0.663 -4.245 512 2HB HIS 70 2HB HIS 70 -5.779 -2.360 -3.765 513 HD1 HIS 70 HD1 HIS 70 -5.863 1.096 -2.389 514 HD2 HIS 70 HD2 HIS 70 -5.341 -2.773 -0.941 515 HE1 HIS 70 HE1 HIS 70 -6.072 1.243 0.131 516 H ASP 71 H ASP 71 -3.155 0.196 -5.800 517 HA ASP 71 HA ASP 71 -3.771 -1.631 -8.020 518 1HB ASP 71 1HB ASP 71 -2.766 1.193 -7.686 519 2HB ASP 71 2HB ASP 71 -2.840 0.436 -9.275 520 H LYS 72 H LYS 72 -2.141 -2.190 -9.655 521 HA LYS 72 HA LYS 72 0.591 -2.520 -8.471 522 1HB LYS 72 1HB LYS 72 -0.766 -4.134 -10.646 523 2HB LYS 72 2HB LYS 72 0.683 -4.571 -9.741 524 1HG LYS 72 1HG LYS 72 -0.647 -5.627 -8.262 525 2HG LYS 72 2HG LYS 72 -1.280 -4.048 -7.793 526 1HD LYS 72 1HD LYS 72 -3.117 -5.545 -8.451 527 2HD LYS 72 2HD LYS 72 -2.976 -4.206 -9.590 528 1HE LYS 72 1HE LYS 72 -2.992 -5.875 -11.166 529 2HE LYS 72 2HE LYS 72 -1.284 -6.057 -10.720 530 1HZ LYS 72 1HZ LYS 72 -2.910 -8.075 -10.515 531 2HZ LYS 72 2HZ LYS 72 -3.335 -7.330 -9.048 532 3HZ LYS 72 3HZ LYS 72 -1.727 -7.803 -9.329 533 H GLY 73 H GLY 73 -0.993 -2.299 -11.668 534 1HA GLY 73 1HA GLY 73 1.397 -1.423 -13.019 535 2HA GLY 73 2HA GLY 73 -0.240 -1.316 -13.670 536 H THR 74 H THR 74 1.557 0.188 -10.967 537 HA THR 74 HA THR 74 0.240 2.785 -11.623 538 HB THR 74 HB THR 74 1.336 3.254 -9.284 539 HG1 THR 74 1HG THR 74 1.167 0.474 -9.047 540 1HG2 THR 74 1HG2 THR 74 -1.039 3.062 -9.454 541 2HG2 THR 74 2HG2 THR 74 -0.555 1.942 -8.180 542 3HG2 THR 74 3HG2 THR 74 -0.943 1.333 -9.790 543 H LYS 75 H LYS 75 1.626 4.741 -11.552 544 HA LYS 75 HA LYS 75 3.799 4.892 -13.216 545 1HB LYS 75 1HB LYS 75 2.495 6.602 -11.614 546 2HB LYS 75 2HB LYS 75 3.938 6.397 -10.628 547 1HG LYS 75 1HG LYS 75 4.154 8.304 -12.208 548 2HG LYS 75 2HG LYS 75 5.356 7.053 -12.515 549 1HD LYS 75 1HD LYS 75 3.026 6.383 -14.013 550 2HD LYS 75 2HD LYS 75 3.378 8.087 -14.309 551 1HE LYS 75 1HE LYS 75 5.703 6.210 -14.340 552 2HE LYS 75 2HE LYS 75 4.589 6.154 -15.721 553 1HZ LYS 75 1HZ LYS 75 6.307 7.853 -16.026 554 2HZ LYS 75 2HZ LYS 75 5.804 8.624 -14.598 555 3HZ LYS 75 3HZ LYS 75 4.761 8.545 -15.937 556 H PHE 76 H PHE 76 3.798 3.760 -9.878 557 HA PHE 76 HA PHE 76 6.585 2.736 -10.250 558 1HB PHE 76 1HB PHE 76 5.522 4.241 -7.843 559 2HB PHE 76 2HB PHE 76 7.152 3.611 -8.036 560 HD1 PHE 76 HD1 PHE 76 8.517 4.470 -10.072 561 HD2 PHE 76 HD2 PHE 76 4.945 6.359 -8.619 562 HE1 PHE 76 HE1 PHE 76 9.131 6.555 -11.267 563 HE2 PHE 76 HE2 PHE 76 5.558 8.441 -9.810 564 HZ PHE 76 HZ PHE 76 7.646 8.534 -11.132 565 H LYS 77 H LYS 77 7.094 1.195 -8.279 566 HA LYS 77 HA LYS 77 4.971 -0.763 -8.138 567 1HB LYS 77 1HB LYS 77 6.523 -1.861 -6.553 568 2HB LYS 77 2HB LYS 77 7.338 -1.368 -8.034 569 1HG LYS 77 1HG LYS 77 8.047 0.739 -6.836 570 2HG LYS 77 2HG LYS 77 7.404 0.035 -5.353 571 1HD LYS 77 1HD LYS 77 9.863 -0.363 -5.635 572 2HD LYS 77 2HD LYS 77 8.928 -1.854 -5.531 573 1HE LYS 77 1HE LYS 77 9.023 -2.183 -7.920 574 2HE LYS 77 2HE LYS 77 9.730 -0.574 -8.165 575 1HZ LYS 77 1HZ LYS 77 10.934 -2.872 -6.722 576 2HZ LYS 77 2HZ LYS 77 11.551 -1.292 -6.635 577 3HZ LYS 77 3HZ LYS 77 11.521 -2.114 -8.121 578 H SER 78 H SER 78 3.220 -0.393 -7.015 579 HA SER 78 HA SER 78 3.006 1.536 -4.852 580 1HB SER 78 1HB SER 78 0.669 0.097 -4.935 581 2HB SER 78 2HB SER 78 1.038 1.461 -5.985 582 HG SER 78 HG SER 78 0.578 -1.002 -6.705 583 H CYS 79 H CYS 79 1.545 0.651 -2.901 584 HA CYS 79 HA CYS 79 3.191 -0.997 -1.253 585 1HB CYS 79 1HB CYS 79 0.263 -0.213 -1.140 586 2HB CYS 79 2HB CYS 79 1.142 -0.928 0.207 587 H VAL 80 H VAL 80 -0.134 -1.791 -2.294 588 HA VAL 80 HA VAL 80 0.208 -4.634 -1.905 589 HB VAL 80 HB VAL 80 -1.774 -2.860 -3.335 590 1HG1 VAL 80 1HG1 VAL 80 -1.999 -4.849 -4.569 591 2HG1 VAL 80 2HG1 VAL 80 -3.197 -5.037 -3.288 592 3HG1 VAL 80 3HG1 VAL 80 -1.643 -5.863 -3.171 593 1HG2 VAL 80 1HG2 VAL 80 -2.898 -2.862 -1.355 594 2HG2 VAL 80 2HG2 VAL 80 -1.388 -3.445 -0.654 595 3HG2 VAL 80 3HG2 VAL 80 -2.643 -4.592 -1.120 596 H GLY 81 H GLY 81 0.708 -2.438 -4.607 597 1HA GLY 81 1HA GLY 81 0.825 -4.419 -6.693 598 2HA GLY 81 2HA GLY 81 1.527 -2.801 -6.780 599 H CYS 82 H CYS 82 3.285 -2.958 -4.578 600 HA CYS 82 HA CYS 82 5.485 -4.494 -5.753 601 1HB CYS 82 1HB CYS 82 5.447 -2.205 -4.475 602 2HB CYS 82 2HB CYS 82 5.432 -3.201 -3.024 603 H HIS 83 H HIS 83 3.024 -4.950 -3.411 604 HA HIS 83 HA HIS 83 4.335 -7.018 -1.837 605 1HB HIS 83 1HB HIS 83 1.672 -5.691 -2.116 606 2HB HIS 83 2HB HIS 83 1.729 -7.220 -1.261 607 HD1 HIS 83 HD1 HIS 83 1.240 -5.931 1.002 608 HD2 HIS 83 HD2 HIS 83 4.821 -4.883 -0.859 609 HE1 HIS 83 HE1 HIS 83 2.599 -4.674 2.726 610 H LEU 84 H LEU 84 1.514 -7.128 -4.082 611 HA LEU 84 HA LEU 84 1.270 -9.900 -4.348 612 1HB LEU 84 1HB LEU 84 0.321 -7.521 -5.498 613 2HB LEU 84 2HB LEU 84 0.958 -8.452 -6.848 614 HG LEU 84 HG LEU 84 -0.765 -9.799 -4.800 615 1HD1 LEU 84 1HD1 LEU 84 -1.921 -8.477 -7.254 616 2HD1 LEU 84 2HD1 LEU 84 -1.833 -7.623 -5.713 617 3HD1 LEU 84 3HD1 LEU 84 -2.772 -9.111 -5.845 618 1HD2 LEU 84 1HD2 LEU 84 -0.204 -10.173 -7.757 619 2HD2 LEU 84 2HD2 LEU 84 -1.396 -11.116 -6.864 620 3HD2 LEU 84 3HD2 LEU 84 0.311 -11.222 -6.436 621 H GLU 85 H GLU 85 3.701 -7.741 -5.671 622 HA GLU 85 HA GLU 85 4.770 -9.818 -7.494 623 1HB GLU 85 1HB GLU 85 5.331 -6.917 -6.871 624 2HB GLU 85 2HB GLU 85 6.437 -7.857 -7.872 625 1HG GLU 85 1HG GLU 85 3.536 -8.011 -8.539 626 2HG GLU 85 2HG GLU 85 4.374 -6.510 -8.929 627 H THR 86 H THR 86 5.710 -8.053 -4.537 628 HA THR 86 HA THR 86 8.315 -9.248 -4.265 629 HB THR 86 HB THR 86 6.341 -7.791 -2.527 630 HG1 THR 86 1HG THR 86 7.819 -6.745 -3.979 631 1HG2 THR 86 1HG2 THR 86 8.951 -8.969 -1.532 632 2HG2 THR 86 2HG2 THR 86 7.349 -9.561 -1.093 633 3HG2 THR 86 3HG2 THR 86 7.851 -7.939 -0.613 634 H ALA 87 H ALA 87 5.237 -10.615 -4.047 635 HA ALA 87 HA ALA 87 5.883 -12.565 -1.930 636 1HB ALA 87 1HB ALA 87 3.611 -12.875 -1.926 637 2HB ALA 87 2HB ALA 87 3.524 -12.917 -3.686 638 3HB ALA 87 3HB ALA 87 3.601 -11.369 -2.845 639 H GLY 88 H GLY 88 5.716 -12.396 -5.448 640 1HA GLY 88 1HA GLY 88 6.294 -13.962 -7.099 641 2HA GLY 88 2HA GLY 88 7.468 -14.549 -5.921 642 H ALA 89 H ALA 89 3.997 -14.783 -6.736 643 HA ALA 89 HA ALA 89 2.464 -16.544 -6.260 644 1HB ALA 89 1HB ALA 89 4.393 -18.607 -6.875 645 2HB ALA 89 2HB ALA 89 4.626 -17.216 -7.933 646 3HB ALA 89 3HB ALA 89 3.056 -18.016 -7.860 647 H ASP 90 H ASP 90 3.304 -15.817 -3.837 648 HA ASP 90 HA ASP 90 4.029 -18.368 -2.465 649 1HB ASP 90 1HB ASP 90 5.878 -16.774 -2.502 650 2HB ASP 90 2HB ASP 90 4.834 -15.507 -1.869 651 H ALA 91 H ALA 91 1.729 -18.688 -2.224 652 HA ALA 91 HA ALA 91 -0.305 -17.110 -1.319 653 1HB ALA 91 1HB ALA 91 -1.211 -19.110 -0.309 654 2HB ALA 91 2HB ALA 91 0.404 -19.776 -0.062 655 3HB ALA 91 3HB ALA 91 -0.245 -19.618 -1.695 656 H ALA 92 H ALA 92 2.518 -18.042 0.562 657 HA ALA 92 HA ALA 92 1.463 -17.119 3.123 658 1HB ALA 92 1HB ALA 92 4.369 -17.150 2.792 659 2HB ALA 92 2HB ALA 92 3.622 -18.619 2.163 660 3HB ALA 92 3HB ALA 92 3.362 -18.147 3.843 661 H LYS 93 H LYS 93 3.670 -15.851 0.656 662 HA LYS 93 HA LYS 93 4.007 -13.272 1.974 663 1HB LYS 93 1HB LYS 93 4.851 -14.722 -0.473 664 2HB LYS 93 2HB LYS 93 4.853 -12.967 -0.594 665 1HG LYS 93 1HG LYS 93 6.203 -12.881 1.515 666 2HG LYS 93 2HG LYS 93 6.280 -14.645 1.484 667 1HD LYS 93 1HD LYS 93 7.324 -14.511 -0.786 668 2HD LYS 93 2HD LYS 93 7.357 -12.754 -0.630 669 1HE LYS 93 1HE LYS 93 9.340 -12.951 0.449 670 2HE LYS 93 2HE LYS 93 8.493 -13.796 1.760 671 1HZ LYS 93 1HZ LYS 93 9.660 -14.981 -0.698 672 2HZ LYS 93 2HZ LYS 93 8.593 -15.824 0.320 673 3HZ LYS 93 3HZ LYS 93 10.097 -15.301 0.908 674 H LYS 94 H LYS 94 1.831 -14.689 -0.388 675 HA LYS 94 HA LYS 94 0.816 -12.157 -1.424 676 1HB LYS 94 1HB LYS 94 0.471 -15.026 -1.782 677 2HB LYS 94 2HB LYS 94 -1.085 -14.194 -1.792 678 1HG LYS 94 1HG LYS 94 0.398 -12.500 -3.330 679 2HG LYS 94 2HG LYS 94 1.143 -14.048 -3.734 680 1HD LYS 94 1HD LYS 94 -1.710 -14.379 -3.663 681 2HD LYS 94 2HD LYS 94 -1.317 -13.007 -4.700 682 1HE LYS 94 1HE LYS 94 0.238 -14.387 -6.000 683 2HE LYS 94 2HE LYS 94 -0.058 -15.767 -4.922 684 1HZ LYS 94 1HZ LYS 94 -1.479 -15.420 -7.095 685 2HZ LYS 94 2HZ LYS 94 -2.372 -14.395 -6.076 686 3HZ LYS 94 3HZ LYS 94 -2.177 -16.034 -5.676 687 H LYS 95 H LYS 95 0.131 -14.225 1.309 688 HA LYS 95 HA LYS 95 -2.454 -12.939 1.910 689 1HB LYS 95 1HB LYS 95 -2.570 -14.604 3.597 690 2HB LYS 95 2HB LYS 95 -1.681 -15.391 2.294 691 1HG LYS 95 1HG LYS 95 -0.074 -15.819 3.820 692 2HG LYS 95 2HG LYS 95 0.303 -14.098 3.755 693 1HD LYS 95 1HD LYS 95 -1.348 -13.679 5.556 694 2HD LYS 95 2HD LYS 95 -1.674 -15.411 5.643 695 1HE LYS 95 1HE LYS 95 1.115 -15.243 5.811 696 2HE LYS 95 2HE LYS 95 0.527 -13.908 6.823 697 1HZ LYS 95 1HZ LYS 95 0.264 -15.604 8.293 698 2HZ LYS 95 2HZ LYS 95 0.059 -16.783 7.086 699 3HZ LYS 95 3HZ LYS 95 -1.224 -15.745 7.492 700 H GLU 96 H GLU 96 0.897 -12.502 2.607 701 HA GLU 96 HA GLU 96 0.375 -10.811 4.999 702 1HB GLU 96 1HB GLU 96 2.778 -11.001 5.267 703 2HB GLU 96 2HB GLU 96 2.166 -12.591 4.848 704 1HG GLU 96 1HG GLU 96 2.821 -12.271 2.542 705 2HG GLU 96 2HG GLU 96 3.337 -10.621 2.886 706 H LEU 97 H LEU 97 1.842 -10.662 1.789 707 HA LEU 97 HA LEU 97 2.354 -7.790 1.896 708 1HB LEU 97 1HB LEU 97 2.319 -9.780 -0.383 709 2HB LEU 97 2HB LEU 97 3.087 -8.192 -0.408 710 HG LEU 97 HG LEU 97 3.857 -10.610 1.222 711 1HD1 LEU 97 1HD1 LEU 97 5.261 -8.759 -0.707 712 2HD1 LEU 97 2HD1 LEU 97 4.906 -10.473 -0.929 713 3HD1 LEU 97 3HD1 LEU 97 6.103 -9.967 0.264 714 1HD2 LEU 97 1HD2 LEU 97 3.788 -8.695 2.764 715 2HD2 LEU 97 2HD2 LEU 97 4.723 -7.727 1.624 716 3HD2 LEU 97 3HD2 LEU 97 5.462 -9.123 2.408 717 H THR 98 H THR 98 0.194 -9.754 -0.183 718 HA THR 98 HA THR 98 -1.393 -7.308 -0.747 719 HB THR 98 HB THR 98 -2.394 -8.768 -2.479 720 HG1 THR 98 1HG THR 98 -1.930 -10.864 -2.546 721 1HG2 THR 98 1HG2 THR 98 0.241 -7.829 -2.321 722 2HG2 THR 98 2HG2 THR 98 -0.626 -8.283 -3.788 723 3HG2 THR 98 3HG2 THR 98 0.382 -9.468 -2.954 724 H GLY 99 H GLY 99 -1.483 -9.933 1.414 725 1HA GLY 99 1HA GLY 99 -4.236 -10.577 1.516 726 2HA GLY 99 2HA GLY 99 -3.155 -10.634 2.909 727 H CYS 100 H CYS 100 -5.920 -9.220 1.827 728 HA CYS 100 HA CYS 100 -5.531 -6.514 2.853 729 1HB CYS 100 1HB CYS 100 -8.249 -7.600 2.611 730 2HB CYS 100 2HB CYS 100 -7.576 -6.144 1.930 731 H LYS 101 H LYS 101 -7.766 -9.096 3.893 732 HA LYS 101 HA LYS 101 -7.823 -7.836 6.575 733 1HB LYS 101 1HB LYS 101 -9.440 -9.993 5.199 734 2HB LYS 101 2HB LYS 101 -9.757 -9.435 6.843 735 1HG LYS 101 1HG LYS 101 -10.465 -7.332 6.140 736 2HG LYS 101 2HG LYS 101 -9.548 -7.415 4.635 737 1HD LYS 101 1HD LYS 101 -11.930 -7.662 4.148 738 2HD LYS 101 2HD LYS 101 -11.103 -9.187 3.825 739 1HE LYS 101 1HE LYS 101 -11.824 -9.312 6.547 740 2HE LYS 101 2HE LYS 101 -13.246 -8.663 5.705 741 1HZ LYS 101 1HZ LYS 101 -13.125 -10.423 4.107 742 2HZ LYS 101 2HZ LYS 101 -13.126 -11.123 5.656 743 3HZ LYS 101 3HZ LYS 101 -11.678 -11.007 4.772 744 H GLY 102 H GLY 102 -5.614 -9.779 5.432 745 1HA GLY 102 1HA GLY 102 -5.256 -11.191 7.972 746 2HA GLY 102 2HA GLY 102 -5.566 -12.262 6.607 747 H SER 103 H SER 103 -3.679 -9.231 6.668 748 HA SER 103 HA SER 103 -1.287 -10.841 5.883 749 1HB SER 103 1HB SER 103 -0.935 -9.311 4.161 750 2HB SER 103 2HB SER 103 -2.676 -9.461 4.176 751 HG SER 103 HG SER 103 -2.323 -7.313 4.225 752 H LYS 104 H LYS 104 0.231 -8.353 5.648 753 HA LYS 104 HA LYS 104 0.819 -7.884 8.540 754 1HB LYS 104 1HB LYS 104 2.276 -7.482 5.912 755 2HB LYS 104 2HB LYS 104 2.935 -6.969 7.463 756 1HG LYS 104 1HG LYS 104 1.959 -9.777 7.302 757 2HG LYS 104 2HG LYS 104 3.442 -9.403 6.422 758 1HD LYS 104 1HD LYS 104 3.844 -8.121 8.834 759 2HD LYS 104 2HD LYS 104 2.984 -9.583 9.317 760 1HE LYS 104 1HE LYS 104 4.706 -10.727 7.620 761 2HE LYS 104 2HE LYS 104 5.681 -9.308 8.055 762 1HZ LYS 104 1HZ LYS 104 4.748 -9.930 10.432 763 2HZ LYS 104 2HZ LYS 104 6.174 -10.624 9.825 764 3HZ LYS 104 3HZ LYS 104 4.710 -11.483 9.751 765 H CYS 105 H CYS 105 -0.212 -6.445 5.579 766 HA CYS 105 HA CYS 105 0.197 -3.673 6.344 767 1HB CYS 105 1HB CYS 105 -0.203 -5.202 4.067 768 2HB CYS 105 2HB CYS 105 -1.714 -4.346 4.238 769 H HIS 106 H HIS 106 -2.392 -6.028 6.676 770 HA HIS 106 HA HIS 106 -4.125 -3.873 7.851 771 1HB HIS 106 1HB HIS 106 -4.620 -6.125 5.950 772 2HB HIS 106 2HB HIS 106 -5.920 -5.689 7.060 773 HD1 HIS 106 HD1 HIS 106 -5.148 -2.587 7.087 774 HD2 HIS 106 HD2 HIS 106 -5.879 -4.906 3.680 775 HE1 HIS 106 HE1 HIS 106 -5.696 -0.965 5.229 776 H SER 107 H SER 107 -2.553 -4.884 9.706 777 HA SER 107 HA SER 107 -3.045 -7.426 10.837 778 1HB SER 107 1HB SER 107 -2.642 -4.929 12.473 779 2HB SER 107 2HB SER 107 -1.932 -6.524 12.707 780 HG SER 107 HG SER 107 -0.555 -6.160 11.059 781 HHA HEC 201 HHA HEC 201 6.109 8.690 5.715 782 HHB HEC 201 HHB HEC 201 12.210 9.763 4.744 783 HHC HEC 201 HHC HEC 201 12.544 4.624 1.041 784 HHD HEC 201 HHD HEC 201 6.431 3.675 1.825 785 1HMA HEC 201 1HMA HEC 201 10.490 11.964 6.327 786 2HMA HEC 201 2HMA HEC 201 11.461 10.615 6.920 787 3HMA HEC 201 3HMA HEC 201 9.945 11.032 7.724 788 1HAA HEC 201 1HAA HEC 201 6.669 9.825 7.244 789 2HAA HEC 201 2HAA HEC 201 8.012 10.785 7.858 790 1HBA HEC 201 1HBA HEC 201 6.918 11.681 5.265 791 2HBA HEC 201 2HBA HEC 201 5.822 11.848 6.637 792 1HMB HEC 201 1HMB HEC 201 15.060 9.075 2.880 793 2HMB HEC 201 2HMB HEC 201 15.199 8.105 4.346 794 3HMB HEC 201 3HMB HEC 201 14.155 9.526 4.326 795 HAB HEC 201 HAB HEC 201 14.419 5.397 1.150 796 1HBB HEC 201 1HBB HEC 201 16.713 5.750 2.410 797 2HBB HEC 201 2HBB HEC 201 15.505 4.647 3.070 798 3HBB HEC 201 3HBB HEC 201 15.671 6.272 3.733 799 1HMC HEC 201 1HMC HEC 201 11.848 2.025 0.647 800 2HMC HEC 201 2HMC HEC 201 10.618 1.867 -0.609 801 3HMC HEC 201 3HMC HEC 201 11.761 3.210 -0.657 802 HAC HEC 201 HAC HEC 201 7.033 2.314 0.618 803 1HBC HEC 201 1HBC HEC 201 8.239 0.182 -0.384 804 2HBC HEC 201 2HBC HEC 201 8.084 0.383 1.360 805 3HBC HEC 201 3HBC HEC 201 9.603 0.780 0.559 806 1HMD HEC 201 1HMD HEC 201 3.755 4.249 4.489 807 2HMD HEC 201 2HMD HEC 201 3.452 4.712 2.815 808 3HMD HEC 201 3HMD HEC 201 4.638 3.462 3.185 809 1HAD HEC 201 1HAD HEC 201 4.368 8.062 5.605 810 2HAD HEC 201 2HAD HEC 201 3.337 7.594 4.258 811 1HBD HEC 201 1HBD HEC 201 2.741 5.545 5.286 812 2HBD HEC 201 2HBD HEC 201 4.046 5.666 6.465 813 HHA HEC 202 HHA HEC 202 1.609 7.754 -9.484 814 HHB HEC 202 HHB HEC 202 2.867 4.247 -4.788 815 HHC HEC 202 HHC HEC 202 4.588 9.126 -1.252 816 HHD HEC 202 HHD HEC 202 2.815 13.046 -5.803 817 1HMA HEC 202 1HMA HEC 202 0.498 3.332 -7.528 818 2HMA HEC 202 2HMA HEC 202 0.915 3.387 -5.816 819 3HMA HEC 202 3HMA HEC 202 2.135 2.937 -7.006 820 1HAA HEC 202 1HAA HEC 202 1.195 5.302 -9.987 821 2HAA HEC 202 2HAA HEC 202 0.068 4.470 -8.956 822 1HBA HEC 202 1HBA HEC 202 -1.269 6.489 -8.722 823 2HBA HEC 202 2HBA HEC 202 -0.118 7.392 -9.699 824 1HMB HEC 202 1HMB HEC 202 4.321 3.476 -3.149 825 2HMB HEC 202 2HMB HEC 202 4.538 3.917 -1.454 826 3HMB HEC 202 3HMB HEC 202 2.914 3.735 -2.118 827 HAB HEC 202 HAB HEC 202 4.303 7.147 0.102 828 1HBB HEC 202 1HBB HEC 202 6.556 7.089 0.270 829 2HBB HEC 202 2HBB HEC 202 6.682 6.352 -1.327 830 3HBB HEC 202 3HBB HEC 202 6.480 5.337 0.100 831 1HMC HEC 202 1HMC HEC 202 5.411 12.915 -1.451 832 2HMC HEC 202 2HMC HEC 202 4.115 12.136 -0.542 833 3HMC HEC 202 3HMC HEC 202 5.572 11.231 -0.956 834 HAC HEC 202 HAC HEC 202 2.446 14.034 -3.650 835 1HBC HEC 202 1HBC HEC 202 3.936 14.099 -1.537 836 2HBC HEC 202 2HBC HEC 202 3.745 15.602 -2.439 837 3HBC HEC 202 3HBC HEC 202 5.217 14.647 -2.617 838 1HMD HEC 202 1HMD HEC 202 2.006 13.063 -9.794 839 2HMD HEC 202 2HMD HEC 202 2.916 13.610 -8.384 840 3HMD HEC 202 3HMD HEC 202 1.156 13.523 -8.318 841 1HAD HEC 202 1HAD HEC 202 1.889 9.339 -10.748 842 2HAD HEC 202 2HAD HEC 202 1.152 10.926 -10.902 843 1HBD HEC 202 1HBD HEC 202 3.581 11.816 -10.557 844 2HBD HEC 202 2HBD HEC 202 4.058 10.176 -10.998 845 HHA HEC 203 HHA HEC 203 7.016 -6.826 4.657 846 HHB HEC 203 HHB HEC 203 2.628 -2.071 4.958 847 HHC HEC 203 HHC HEC 203 4.666 0.153 -0.346 848 HHD HEC 203 HHD HEC 203 8.915 -4.468 -0.851 849 1HMA HEC 203 1HMA HEC 203 3.337 -3.384 7.623 850 2HMA HEC 203 2HMA HEC 203 2.924 -5.096 7.522 851 3HMA HEC 203 3HMA HEC 203 2.060 -3.921 6.530 852 1HAA HEC 203 1HAA HEC 203 4.735 -6.119 7.743 853 2HAA HEC 203 2HAA HEC 203 4.542 -7.319 6.471 854 1HBA HEC 203 1HBA HEC 203 6.786 -7.717 6.321 855 2HBA HEC 203 2HBA HEC 203 7.209 -6.033 6.634 856 1HMB HEC 203 1HMB HEC 203 2.427 0.389 5.129 857 2HMB HEC 203 2HMB HEC 203 1.752 1.295 3.775 858 3HMB HEC 203 3HMB HEC 203 1.131 -0.310 4.159 859 HAB HEC 203 HAB HEC 203 2.737 0.991 0.238 860 1HBB HEC 203 1HBB HEC 203 4.144 2.764 0.192 861 2HBB HEC 203 2HBB HEC 203 4.700 2.407 1.827 862 3HBB HEC 203 3HBB HEC 203 3.283 3.428 1.579 863 1HMC HEC 203 1HMC HEC 203 5.652 0.493 -2.039 864 2HMC HEC 203 2HMC HEC 203 7.262 0.254 -2.721 865 3HMC HEC 203 3HMC HEC 203 5.887 -0.638 -3.373 866 HAC HEC 203 HAC HEC 203 9.146 -3.292 -2.507 867 1HBC HEC 203 1HBC HEC 203 8.199 -0.901 -4.043 868 2HBC HEC 203 2HBC HEC 203 9.840 -1.507 -3.824 869 3HBC HEC 203 3HBC HEC 203 9.036 -0.640 -2.517 870 1HMD HEC 203 1HMD HEC 203 10.223 -6.001 -0.334 871 2HMD HEC 203 2HMD HEC 203 9.828 -7.661 0.113 872 3HMD HEC 203 3HMD HEC 203 10.896 -6.702 1.138 873 1HAD HEC 203 1HAD HEC 203 10.054 -7.771 3.229 874 2HAD HEC 203 2HAD HEC 203 8.577 -7.906 4.177 875 1HBD HEC 203 1HBD HEC 203 7.571 -9.202 2.252 876 2HBD HEC 203 2HBD HEC 203 9.176 -9.226 1.522 877 HHA HEC 204 HHA HEC 204 -6.753 2.207 3.915 878 HHB HEC 204 HHB HEC 204 -10.137 -2.295 1.111 879 HHC HEC 204 HHC HEC 204 -4.839 -5.901 0.920 880 HHD HEC 204 HHD HEC 204 -1.487 -1.054 2.768 881 1HMA HEC 204 1HMA HEC 204 -11.672 0.235 3.164 882 2HMA HEC 204 2HMA HEC 204 -11.475 -0.837 1.779 883 3HMA HEC 204 3HMA HEC 204 -11.332 0.909 1.569 884 1HAA HEC 204 1HAA HEC 204 -9.913 2.117 4.592 885 2HAA HEC 204 2HAA HEC 204 -8.465 2.868 3.931 886 1HBA HEC 204 1HBA HEC 204 -9.657 3.123 1.744 887 2HBA HEC 204 2HBA HEC 204 -11.110 2.494 2.515 888 1HMB HEC 204 1HMB HEC 204 -10.613 -3.802 -0.223 889 2HMB HEC 204 2HMB HEC 204 -9.824 -4.698 -1.521 890 3HMB HEC 204 3HMB HEC 204 -10.305 -5.529 -0.042 891 HAB HEC 204 HAB HEC 204 -6.549 -6.958 0.199 892 1HBB HEC 204 1HBB HEC 204 -5.737 -6.255 -1.900 893 2HBB HEC 204 2HBB HEC 204 -7.330 -5.720 -2.438 894 3HBB HEC 204 3HBB HEC 204 -6.979 -7.443 -2.300 895 1HMC HEC 204 1HMC HEC 204 -1.746 -6.345 1.975 896 2HMC HEC 204 2HMC HEC 204 -3.015 -6.546 0.765 897 3HMC HEC 204 3HMC HEC 204 -1.462 -5.849 0.305 898 HAC HEC 204 HAC HEC 204 -0.468 -2.599 2.997 899 1HBC HEC 204 1HBC HEC 204 0.443 -4.226 0.602 900 2HBC HEC 204 2HBC HEC 204 1.406 -3.113 1.576 901 3HBC HEC 204 3HBC HEC 204 0.137 -2.490 0.521 902 1HMD HEC 204 1HMD HEC 204 -0.871 0.790 3.306 903 2HMD HEC 204 2HMD HEC 204 -1.406 2.463 3.151 904 3HMD HEC 204 3HMD HEC 204 -1.402 1.682 4.731 905 1HAD HEC 204 1HAD HEC 204 -3.593 3.777 3.777 906 2HAD HEC 204 2HAD HEC 204 -5.268 3.447 4.202 907 1HBD HEC 204 1HBD HEC 204 -4.108 2.143 6.216 908 2HBD HEC 204 2HBD HEC 204 -2.821 3.299 5.891 Start of MODEL 2 1 1H ALA 1 1H ALA 1 20.314 14.777 0.683 2 2H ALA 1 2H ALA 1 20.656 15.129 2.309 3 3H ALA 1 3H ALA 1 19.078 15.320 1.709 4 HA ALA 1 HA ALA 1 19.318 12.779 1.159 5 1HB ALA 1 1HB ALA 1 20.816 12.461 3.588 6 2HB ALA 1 2HB ALA 1 21.714 13.529 2.511 7 3HB ALA 1 3HB ALA 1 21.243 11.919 1.965 8 HA PRO 2 HA PRO 2 16.053 13.533 4.127 9 1HB PRO 2 1HB PRO 2 14.588 11.320 3.455 10 2HB PRO 2 2HB PRO 2 14.568 12.816 2.508 11 1HG PRO 2 1HG PRO 2 16.042 10.281 2.008 12 2HG PRO 2 2HG PRO 2 15.244 11.365 0.859 13 1HD PRO 2 1HD PRO 2 17.939 11.313 1.248 14 2HD PRO 2 2HD PRO 2 17.053 12.762 0.721 15 H LYS 3 H LYS 3 15.553 12.614 6.163 16 HA LYS 3 HA LYS 3 17.272 10.305 6.963 17 1HB LYS 3 1HB LYS 3 15.728 12.245 8.684 18 2HB LYS 3 2HB LYS 3 17.053 11.194 9.172 19 1HG LYS 3 1HG LYS 3 18.661 12.474 8.003 20 2HG LYS 3 2HG LYS 3 17.432 13.287 7.034 21 1HD LYS 3 1HD LYS 3 17.195 14.908 8.576 22 2HD LYS 3 2HD LYS 3 16.944 13.720 9.856 23 1HE LYS 3 1HE LYS 3 19.696 13.576 9.213 24 2HE LYS 3 2HE LYS 3 19.302 15.303 9.321 25 1HZ LYS 3 1HZ LYS 3 17.963 14.621 11.371 26 2HZ LYS 3 2HZ LYS 3 19.653 14.684 11.525 27 3HZ LYS 3 3HZ LYS 3 18.870 13.188 11.341 28 H ALA 4 H ALA 4 15.806 8.735 6.083 29 HA ALA 4 HA ALA 4 13.095 8.374 6.330 30 1HB ALA 4 1HB ALA 4 15.237 6.831 5.671 31 2HB ALA 4 2HB ALA 4 13.601 6.190 5.834 32 3HB ALA 4 3HB ALA 4 14.741 6.051 7.174 33 HA PRO 5 HA PRO 5 12.376 8.427 10.673 34 1HB PRO 5 1HB PRO 5 9.746 7.665 10.601 35 2HB PRO 5 2HB PRO 5 10.308 9.294 10.193 36 1HG PRO 5 1HG PRO 5 9.372 7.133 8.421 37 2HG PRO 5 2HG PRO 5 9.368 8.882 8.178 38 1HD PRO 5 1HD PRO 5 11.186 7.043 7.068 39 2HD PRO 5 2HD PRO 5 11.317 8.811 7.047 40 H ALA 6 H ALA 6 11.769 6.908 12.408 41 HA ALA 6 HA ALA 6 12.916 4.340 12.140 42 1HB ALA 6 1HB ALA 6 11.458 4.025 14.314 43 2HB ALA 6 2HB ALA 6 11.084 5.732 14.075 44 3HB ALA 6 3HB ALA 6 12.756 5.219 14.303 45 H ASP 7 H ASP 7 11.581 2.299 12.686 46 HA ASP 7 HA ASP 7 9.566 1.922 10.603 47 1HB ASP 7 1HB ASP 7 10.397 0.022 12.802 48 2HB ASP 7 2HB ASP 7 9.835 -0.373 11.182 49 H GLY 8 H GLY 8 7.429 1.044 11.133 50 1HA GLY 8 1HA GLY 8 5.607 0.628 12.664 51 2HA GLY 8 2HA GLY 8 6.462 1.564 13.887 52 H LEU 9 H LEU 9 6.253 2.868 10.659 53 HA LEU 9 HA LEU 9 4.916 5.254 11.603 54 1HB LEU 9 1HB LEU 9 6.377 4.456 9.384 55 2HB LEU 9 2HB LEU 9 4.752 4.684 8.731 56 HG LEU 9 HG LEU 9 5.768 6.758 10.612 57 1HD1 LEU 9 1HD1 LEU 9 6.906 6.161 7.902 58 2HD1 LEU 9 2HD1 LEU 9 7.718 6.774 9.344 59 3HD1 LEU 9 3HD1 LEU 9 6.705 7.848 8.379 60 1HD2 LEU 9 1HD2 LEU 9 3.797 6.458 8.432 61 2HD2 LEU 9 2HD2 LEU 9 4.671 7.993 8.422 62 3HD2 LEU 9 3HD2 LEU 9 3.754 7.504 9.851 63 H LYS 10 H LYS 10 2.776 5.376 12.059 64 HA LYS 10 HA LYS 10 0.959 3.310 10.934 65 1HB LYS 10 1HB LYS 10 1.077 5.110 13.286 66 2HB LYS 10 2HB LYS 10 -0.532 4.759 12.655 67 1HG LYS 10 1HG LYS 10 0.114 2.304 12.684 68 2HG LYS 10 2HG LYS 10 1.545 2.776 13.601 69 1HD LYS 10 1HD LYS 10 -0.026 3.921 15.242 70 2HD LYS 10 2HD LYS 10 -1.354 3.117 14.401 71 1HE LYS 10 1HE LYS 10 -0.864 1.090 15.331 72 2HE LYS 10 2HE LYS 10 0.884 1.326 15.137 73 1HZ LYS 10 1HZ LYS 10 0.496 1.479 17.439 74 2HZ LYS 10 2HZ LYS 10 -0.889 2.443 17.234 75 3HZ LYS 10 3HZ LYS 10 0.652 3.086 16.917 76 H MET 11 H MET 11 0.093 3.872 9.002 77 HA MET 11 HA MET 11 -0.521 6.699 8.363 78 1HB MET 11 1HB MET 11 0.106 4.253 6.982 79 2HB MET 11 2HB MET 11 -1.450 4.847 6.401 80 1HG MET 11 1HG MET 11 1.117 6.452 6.550 81 2HG MET 11 2HG MET 11 0.376 5.821 5.079 82 1HE MET 11 1HE MET 11 0.055 9.857 5.625 83 2HE MET 11 2HE MET 11 1.165 8.597 5.091 84 3HE MET 11 3HE MET 11 0.989 8.936 6.811 85 H ASP 12 H ASP 12 -2.389 7.349 9.408 86 HA ASP 12 HA ASP 12 -4.694 5.428 9.431 87 1HB ASP 12 1HB ASP 12 -5.440 7.145 11.245 88 2HB ASP 12 2HB ASP 12 -4.133 6.031 11.624 89 H LYS 13 H LYS 13 -3.753 7.548 7.338 90 HA LYS 13 HA LYS 13 -5.527 9.699 7.130 91 1HB LYS 13 1HB LYS 13 -4.242 7.795 5.184 92 2HB LYS 13 2HB LYS 13 -5.260 9.110 4.601 93 1HG LYS 13 1HG LYS 13 -2.855 9.432 6.423 94 2HG LYS 13 2HG LYS 13 -2.871 9.778 4.692 95 1HD LYS 13 1HD LYS 13 -4.720 11.429 5.102 96 2HD LYS 13 2HD LYS 13 -4.512 11.161 6.832 97 1HE LYS 13 1HE LYS 13 -2.029 11.787 5.316 98 2HE LYS 13 2HE LYS 13 -3.190 13.116 5.508 99 1HZ LYS 13 1HZ LYS 13 -1.654 11.705 7.525 100 2HZ LYS 13 2HZ LYS 13 -3.282 11.983 7.925 101 3HZ LYS 13 3HZ LYS 13 -2.263 13.287 7.540 102 H THR 14 H THR 14 -6.127 6.276 6.636 103 HA THR 14 HA THR 14 -8.982 6.885 5.934 104 HB THR 14 HB THR 14 -8.837 4.510 4.979 105 HG1 THR 14 1HG THR 14 -7.065 3.576 5.612 106 1HG2 THR 14 1HG2 THR 14 -7.362 5.366 3.024 107 2HG2 THR 14 2HG2 THR 14 -7.284 6.868 3.947 108 3HG2 THR 14 3HG2 THR 14 -8.843 6.248 3.401 109 H LYS 15 H LYS 15 -10.351 4.766 6.567 110 HA LYS 15 HA LYS 15 -10.356 4.604 9.449 111 1HB LYS 15 1HB LYS 15 -11.854 3.580 7.114 112 2HB LYS 15 2HB LYS 15 -11.927 2.548 8.543 113 1HG LYS 15 1HG LYS 15 -13.422 3.946 9.474 114 2HG LYS 15 2HG LYS 15 -12.235 5.250 9.408 115 1HD LYS 15 1HD LYS 15 -12.906 5.708 7.056 116 2HD LYS 15 2HD LYS 15 -14.142 4.455 7.188 117 1HE LYS 15 1HE LYS 15 -15.448 6.265 7.792 118 2HE LYS 15 2HE LYS 15 -14.747 5.931 9.388 119 1HZ LYS 15 1HZ LYS 15 -14.361 8.227 8.826 120 2HZ LYS 15 2HZ LYS 15 -13.667 7.793 7.338 121 3HZ LYS 15 3HZ LYS 15 -12.882 7.398 8.791 122 H GLN 16 H GLN 16 -8.814 2.773 6.924 123 HA GLN 16 HA GLN 16 -8.128 0.571 8.824 124 1HB GLN 16 1HB GLN 16 -8.159 0.948 5.829 125 2HB GLN 16 2HB GLN 16 -7.266 -0.389 6.557 126 1HG GLN 16 1HG GLN 16 -9.203 -1.538 6.616 127 2HG GLN 16 2HG GLN 16 -9.758 -0.402 7.847 128 1HE2 GLN 16 2HE2 GLN 16 -10.151 -1.385 4.523 129 2HE2 GLN 16 1HE2 GLN 16 -11.322 -0.228 4.109 130 HA PRO 17 HA PRO 17 -4.394 3.282 8.761 131 1HB PRO 17 1HB PRO 17 -3.720 2.771 11.369 132 2HB PRO 17 2HB PRO 17 -4.856 4.049 10.889 133 1HG PRO 17 1HG PRO 17 -5.422 1.300 11.904 134 2HG PRO 17 2HG PRO 17 -6.212 2.835 12.307 135 1HD PRO 17 1HD PRO 17 -7.305 1.063 10.590 136 2HD PRO 17 2HD PRO 17 -7.516 2.820 10.407 137 H VAL 18 H VAL 18 -2.421 2.466 8.150 138 HA VAL 18 HA VAL 18 -1.800 -0.381 8.850 139 HB VAL 18 HB VAL 18 -1.460 1.293 6.357 140 1HG1 VAL 18 1HG1 VAL 18 -0.232 -1.421 6.905 141 2HG1 VAL 18 2HG1 VAL 18 0.664 0.097 6.881 142 3HG1 VAL 18 3HG1 VAL 18 -0.108 -0.495 5.410 143 1HG2 VAL 18 1HG2 VAL 18 -3.130 -0.957 7.257 144 2HG2 VAL 18 2HG2 VAL 18 -2.383 -1.218 5.681 145 3HG2 VAL 18 3HG2 VAL 18 -3.406 0.194 5.949 146 H VAL 19 H VAL 19 0.197 -0.699 9.805 147 HA VAL 19 HA VAL 19 1.875 1.658 10.391 148 HB VAL 19 HB VAL 19 1.929 -1.275 11.167 149 1HG1 VAL 19 1HG1 VAL 19 3.854 0.944 11.631 150 2HG1 VAL 19 2HG1 VAL 19 4.138 -0.794 11.558 151 3HG1 VAL 19 3HG1 VAL 19 3.474 -0.071 13.023 152 1HG2 VAL 19 1HG2 VAL 19 0.178 0.596 11.983 153 2HG2 VAL 19 2HG2 VAL 19 1.495 0.952 13.099 154 3HG2 VAL 19 3HG2 VAL 19 0.781 -0.659 13.065 155 H PHE 20 H PHE 20 3.348 2.216 8.757 156 HA PHE 20 HA PHE 20 4.471 0.086 7.030 157 1HB PHE 20 1HB PHE 20 3.715 2.244 6.086 158 2HB PHE 20 2HB PHE 20 4.878 3.095 7.104 159 HD1 PHE 20 HD1 PHE 20 4.866 0.133 4.789 160 HD2 PHE 20 HD2 PHE 20 6.879 3.699 6.075 161 HE1 PHE 20 HE1 PHE 20 6.651 -0.264 3.114 162 HE2 PHE 20 HE2 PHE 20 8.657 3.302 4.400 163 HZ PHE 20 HZ PHE 20 8.547 1.322 2.919 164 H ASN 21 H ASN 21 6.346 -0.926 7.607 165 HA ASN 21 HA ASN 21 8.116 0.345 9.627 166 1HB ASN 21 1HB ASN 21 7.158 -2.281 8.921 167 2HB ASN 21 2HB ASN 21 8.915 -2.261 8.876 168 1HD2 ASN 21 2HD2 ASN 21 8.599 -3.733 10.876 169 2HD2 ASN 21 1HD2 ASN 21 8.424 -2.970 12.381 170 H HIS 22 H HIS 22 9.362 1.805 8.329 171 HA HIS 22 HA HIS 22 10.351 1.456 5.739 172 1HB HIS 22 1HB HIS 22 11.288 2.822 8.237 173 2HB HIS 22 2HB HIS 22 12.373 2.787 6.849 174 HD1 HIS 22 HD1 HIS 22 9.544 4.605 8.225 175 HD2 HIS 22 HD2 HIS 22 11.015 3.890 4.386 176 HE1 HIS 22 HE1 HIS 22 8.550 6.390 6.734 177 H SER 23 H SER 23 11.570 0.076 8.770 178 HA SER 23 HA SER 23 14.081 -0.901 8.007 179 1HB SER 23 1HB SER 23 13.345 -2.841 9.593 180 2HB SER 23 2HB SER 23 13.375 -1.202 10.239 181 HG SER 23 HG SER 23 11.278 -2.894 9.837 182 H THR 24 H THR 24 10.876 -2.353 7.398 183 HA THR 24 HA THR 24 11.933 -4.665 5.987 184 HB THR 24 HB THR 24 9.218 -3.969 5.299 185 HG1 THR 24 1HG THR 24 8.822 -2.796 7.003 186 1HG2 THR 24 1HG2 THR 24 10.753 -6.109 6.592 187 2HG2 THR 24 2HG2 THR 24 9.362 -6.217 5.512 188 3HG2 THR 24 3HG2 THR 24 9.120 -5.929 7.235 189 H HIS 25 H HIS 25 11.669 -1.397 5.175 190 HA HIS 25 HA HIS 25 11.605 -2.028 2.255 191 1HB HIS 25 1HB HIS 25 10.744 0.432 3.807 192 2HB HIS 25 2HB HIS 25 10.571 0.195 2.071 193 HD1 HIS 25 HD1 HIS 25 9.254 -1.042 5.365 194 HD2 HIS 25 HD2 HIS 25 8.503 -1.592 1.304 195 HE1 HIS 25 HE1 HIS 25 7.113 -2.385 5.210 196 H LYS 26 H LYS 26 13.565 -0.979 4.804 197 HA LYS 26 HA LYS 26 15.105 1.137 3.763 198 1HB LYS 26 1HB LYS 26 16.748 0.388 5.341 199 2HB LYS 26 2HB LYS 26 15.191 -0.079 6.024 200 1HG LYS 26 1HG LYS 26 15.460 -2.353 5.292 201 2HG LYS 26 2HG LYS 26 16.876 -1.936 4.328 202 1HD LYS 26 1HD LYS 26 16.681 -1.751 7.348 203 2HD LYS 26 2HD LYS 26 17.551 -2.994 6.448 204 1HE LYS 26 1HE LYS 26 18.618 -0.730 5.342 205 2HE LYS 26 2HE LYS 26 18.336 -0.200 7.013 206 1HZ LYS 26 1HZ LYS 26 19.755 -2.665 6.153 207 2HZ LYS 26 2HZ LYS 26 19.364 -2.294 7.765 208 3HZ LYS 26 3HZ LYS 26 20.451 -1.311 6.903 209 H ALA 27 H ALA 27 14.962 -2.228 2.815 210 HA ALA 27 HA ALA 27 17.406 -2.043 1.152 211 1HB ALA 27 1HB ALA 27 17.078 -4.398 0.895 212 2HB ALA 27 2HB ALA 27 15.371 -4.278 1.321 213 3HB ALA 27 3HB ALA 27 16.607 -4.046 2.557 214 H VAL 28 H VAL 28 14.173 -1.178 0.871 215 HA VAL 28 HA VAL 28 13.768 -1.932 -1.938 216 HB VAL 28 HB VAL 28 12.319 -0.203 0.081 217 1HG1 VAL 28 1HG1 VAL 28 11.835 0.701 -2.118 218 2HG1 VAL 28 2HG1 VAL 28 10.438 -0.218 -1.563 219 3HG1 VAL 28 3HG1 VAL 28 11.535 -0.916 -2.754 220 1HG2 VAL 28 1HG2 VAL 28 10.654 -2.063 -0.059 221 2HG2 VAL 28 2HG2 VAL 28 12.224 -2.594 0.543 222 3HG2 VAL 28 3HG2 VAL 28 11.761 -2.926 -1.127 223 H LYS 29 H LYS 29 13.064 0.063 -3.403 224 HA LYS 29 HA LYS 29 15.381 1.898 -3.386 225 1HB LYS 29 1HB LYS 29 13.588 0.722 -5.295 226 2HB LYS 29 2HB LYS 29 13.548 2.479 -5.454 227 1HG LYS 29 1HG LYS 29 15.372 2.006 -6.796 228 2HG LYS 29 2HG LYS 29 16.173 2.231 -5.239 229 1HD LYS 29 1HD LYS 29 15.401 -0.447 -5.210 230 2HD LYS 29 2HD LYS 29 15.943 -0.182 -6.868 231 1HE LYS 29 1HE LYS 29 17.677 1.017 -4.779 232 2HE LYS 29 2HE LYS 29 17.656 -0.757 -4.832 233 1HZ LYS 29 1HZ LYS 29 19.240 -0.118 -6.426 234 2HZ LYS 29 2HZ LYS 29 18.261 1.129 -7.035 235 3HZ LYS 29 3HZ LYS 29 17.852 -0.494 -7.325 236 H CYS 30 H CYS 30 15.077 3.511 -1.952 237 HA CYS 30 HA CYS 30 12.765 4.678 -0.938 238 1HB CYS 30 1HB CYS 30 15.496 5.728 -1.655 239 2HB CYS 30 2HB CYS 30 14.289 6.821 -0.980 240 H GLY 31 H GLY 31 14.076 4.934 -4.154 241 1HA GLY 31 1HA GLY 31 12.349 7.212 -4.871 242 2HA GLY 31 2HA GLY 31 13.489 6.399 -5.945 243 H ASP 32 H ASP 32 12.119 3.785 -4.775 244 HA ASP 32 HA ASP 32 10.242 3.533 -7.010 245 1HB ASP 32 1HB ASP 32 11.833 1.880 -5.399 246 2HB ASP 32 2HB ASP 32 10.183 1.437 -4.985 247 H CYS 33 H CYS 33 10.135 4.179 -3.579 248 HA CYS 33 HA CYS 33 7.160 3.969 -3.508 249 1HB CYS 33 1HB CYS 33 9.403 4.313 -1.499 250 2HB CYS 33 2HB CYS 33 7.722 4.568 -1.036 251 H HIS 34 H HIS 34 9.715 6.295 -2.536 252 HA HIS 34 HA HIS 34 7.837 8.571 -2.786 253 1HB HIS 34 1HB HIS 34 10.755 8.242 -2.005 254 2HB HIS 34 2HB HIS 34 9.938 9.797 -2.044 255 HD1 HIS 34 HD1 HIS 34 7.551 9.748 -0.542 256 HD2 HIS 34 HD2 HIS 34 10.564 7.050 0.466 257 HE1 HIS 34 HE1 HIS 34 7.106 9.030 1.847 258 H HIS 35 H HIS 35 8.430 7.082 -5.212 259 HA HIS 35 HA HIS 35 10.388 7.700 -6.941 260 1HB HIS 35 1HB HIS 35 8.560 8.006 -8.674 261 2HB HIS 35 2HB HIS 35 8.393 6.585 -7.659 262 HD1 HIS 35 HD1 HIS 35 6.988 9.971 -8.221 263 HD2 HIS 35 HD2 HIS 35 6.135 6.616 -5.922 264 HE1 HIS 35 HE1 HIS 35 4.693 10.359 -7.237 265 HA PRO 36 HA PRO 36 11.139 11.965 -7.296 266 1HB PRO 36 1HB PRO 36 11.632 12.217 -9.986 267 2HB PRO 36 2HB PRO 36 12.776 11.482 -8.844 268 1HG PRO 36 1HG PRO 36 10.821 10.158 -10.675 269 2HG PRO 36 2HG PRO 36 12.508 9.734 -10.334 270 1HD PRO 36 1HD PRO 36 10.470 8.406 -9.199 271 2HD PRO 36 2HD PRO 36 11.988 8.713 -8.321 272 H VAL 37 H VAL 37 9.174 12.976 -6.827 273 HA VAL 37 HA VAL 37 7.100 13.217 -8.930 274 HB VAL 37 HB VAL 37 7.395 13.869 -6.001 275 1HG1 VAL 37 1HG1 VAL 37 6.145 15.740 -6.413 276 2HG1 VAL 37 2HG1 VAL 37 4.820 14.580 -6.517 277 3HG1 VAL 37 3HG1 VAL 37 5.607 15.154 -7.988 278 1HG2 VAL 37 1HG2 VAL 37 6.663 11.653 -6.342 279 2HG2 VAL 37 2HG2 VAL 37 5.655 12.102 -7.717 280 3HG2 VAL 37 3HG2 VAL 37 5.160 12.538 -6.082 281 H ASN 38 H ASN 38 6.510 15.296 -9.791 282 HA ASN 38 HA ASN 38 6.933 17.496 -10.556 283 1HB ASN 38 1HB ASN 38 6.765 17.626 -7.972 284 2HB ASN 38 2HB ASN 38 8.500 17.742 -7.996 285 1HD2 ASN 38 2HD2 ASN 38 5.975 19.742 -7.692 286 2HD2 ASN 38 1HD2 ASN 38 6.543 21.106 -8.526 287 H GLY 39 H GLY 39 9.860 17.330 -8.636 288 1HA GLY 39 1HA GLY 39 11.500 16.745 -11.038 289 2HA GLY 39 2HA GLY 39 11.817 18.238 -10.147 290 H LYS 40 H LYS 40 10.700 15.898 -8.007 291 HA LYS 40 HA LYS 40 13.296 14.570 -7.546 292 1HB LYS 40 1HB LYS 40 13.672 15.669 -5.391 293 2HB LYS 40 2HB LYS 40 13.539 16.894 -6.652 294 1HG LYS 40 1HG LYS 40 11.199 17.296 -6.062 295 2HG LYS 40 2HG LYS 40 11.262 16.013 -4.855 296 1HD LYS 40 1HD LYS 40 13.315 17.422 -3.944 297 2HD LYS 40 2HD LYS 40 12.499 18.738 -4.788 298 1HE LYS 40 1HE LYS 40 11.127 18.936 -2.995 299 2HE LYS 40 2HE LYS 40 10.475 17.332 -3.384 300 1HZ LYS 40 1HZ LYS 40 13.080 17.561 -2.034 301 2HZ LYS 40 2HZ LYS 40 11.960 16.282 -1.999 302 3HZ LYS 40 3HZ LYS 40 11.659 17.705 -1.119 303 H GLU 41 H GLU 41 13.136 13.020 -5.706 304 HA GLU 41 HA GLU 41 10.516 11.757 -5.578 305 1HB GLU 41 1HB GLU 41 13.217 11.318 -4.297 306 2HB GLU 41 2HB GLU 41 11.829 10.315 -3.882 307 1HG GLU 41 1HG GLU 41 11.751 9.319 -5.966 308 2HG GLU 41 2HG GLU 41 12.425 10.730 -6.781 309 H ASP 42 H ASP 42 8.936 12.703 -4.314 310 HA ASP 42 HA ASP 42 9.519 14.381 -2.036 311 1HB ASP 42 1HB ASP 42 7.066 12.962 -3.081 312 2HB ASP 42 2HB ASP 42 7.025 14.008 -1.662 313 H TYR 43 H TYR 43 10.712 13.304 -0.471 314 HA TYR 43 HA TYR 43 10.098 10.569 0.354 315 1HB TYR 43 1HB TYR 43 11.921 12.760 1.393 316 2HB TYR 43 2HB TYR 43 11.895 11.124 2.048 317 HD1 TYR 43 HD1 TYR 43 13.384 13.239 -0.362 318 HD2 TYR 43 HD2 TYR 43 12.092 9.186 0.245 319 HE1 TYR 43 HE1 TYR 43 14.893 12.485 -2.179 320 HE2 TYR 43 HE2 TYR 43 13.600 8.434 -1.573 321 HH TYR 43 HH TYR 43 15.173 10.658 -3.695 322 H GLN 44 H GLN 44 7.752 12.013 0.667 323 HA GLN 44 HA GLN 44 7.587 12.406 3.639 324 1HB GLN 44 1HB GLN 44 5.694 14.007 2.944 325 2HB GLN 44 2HB GLN 44 7.338 14.527 2.575 326 1HG GLN 44 1HG GLN 44 7.110 13.721 0.274 327 2HG GLN 44 2HG GLN 44 5.492 13.113 0.629 328 1HE2 GLN 44 2HE2 GLN 44 6.525 16.142 2.084 329 2HE2 GLN 44 1HE2 GLN 44 5.555 17.152 1.123 330 H LYS 45 H LYS 45 5.254 12.098 4.410 331 HA LYS 45 HA LYS 45 4.309 9.538 4.189 332 1HB LYS 45 1HB LYS 45 2.020 10.655 4.626 333 2HB LYS 45 2HB LYS 45 3.322 11.012 5.756 334 1HG LYS 45 1HG LYS 45 3.831 13.072 4.392 335 2HG LYS 45 2HG LYS 45 2.372 12.743 3.460 336 1HD LYS 45 1HD LYS 45 2.446 13.123 6.467 337 2HD LYS 45 2HD LYS 45 1.976 14.368 5.310 338 1HE LYS 45 1HE LYS 45 0.412 12.209 4.542 339 2HE LYS 45 2HE LYS 45 0.415 12.099 6.313 340 1HZ LYS 45 1HZ LYS 45 -0.620 14.203 4.597 341 2HZ LYS 45 2HZ LYS 45 0.222 14.731 5.975 342 3HZ LYS 45 3HZ LYS 45 -1.131 13.717 6.138 343 H CYS 46 H CYS 46 3.298 8.318 2.655 344 HA CYS 46 HA CYS 46 3.161 8.943 -0.063 345 1HB CYS 46 1HB CYS 46 1.410 7.162 1.651 346 2HB CYS 46 2HB CYS 46 1.519 7.053 -0.101 347 H ALA 47 H ALA 47 0.695 9.422 2.437 348 HA ALA 47 HA ALA 47 -1.052 10.824 0.454 349 1HB ALA 47 1HB ALA 47 -1.661 9.918 3.269 350 2HB ALA 47 2HB ALA 47 -1.813 8.859 1.869 351 3HB ALA 47 3HB ALA 47 -2.814 10.305 1.994 352 H THR 48 H THR 48 1.067 12.404 1.161 353 HA THR 48 HA THR 48 0.990 13.941 3.493 354 HB THR 48 HB THR 48 1.420 15.300 0.868 355 HG1 THR 48 1HG THR 48 3.246 13.375 1.809 356 1HG2 THR 48 1HG2 THR 48 2.481 15.326 3.615 357 2HG2 THR 48 2HG2 THR 48 2.402 16.625 2.425 358 3HG2 THR 48 3HG2 THR 48 3.717 15.450 2.363 359 H ALA 49 H ALA 49 0.429 16.577 2.869 360 HA ALA 49 HA ALA 49 -2.467 16.668 3.129 361 1HB ALA 49 1HB ALA 49 -0.199 18.649 2.942 362 2HB ALA 49 2HB ALA 49 -1.219 18.275 4.331 363 3HB ALA 49 3HB ALA 49 -1.873 19.202 2.980 364 H GLY 50 H GLY 50 -0.425 16.464 0.443 365 1HA GLY 50 1HA GLY 50 -2.658 17.206 -1.359 366 2HA GLY 50 2HA GLY 50 -1.124 18.052 -1.596 367 H CYS 51 H CYS 51 -0.903 14.892 -0.363 368 HA CYS 51 HA CYS 51 0.212 13.911 -2.934 369 1HB CYS 51 1HB CYS 51 0.729 13.829 -0.064 370 2HB CYS 51 2HB CYS 51 0.851 12.253 -0.777 371 H HIS 52 H HIS 52 -0.192 11.156 -1.354 372 HA HIS 52 HA HIS 52 -2.657 10.440 -2.748 373 1HB HIS 52 1HB HIS 52 -0.751 9.024 -0.877 374 2HB HIS 52 2HB HIS 52 -2.129 8.224 -1.606 375 HD1 HIS 52 HD1 HIS 52 -2.174 8.625 -4.343 376 HD2 HIS 52 HD2 HIS 52 1.510 8.781 -2.438 377 HE1 HIS 52 HE1 HIS 52 -0.429 8.242 -6.145 378 H ASP 53 H ASP 53 -3.461 12.415 -1.084 379 HA ASP 53 HA ASP 53 -4.471 11.134 1.414 380 1HB ASP 53 1HB ASP 53 -3.140 13.370 1.207 381 2HB ASP 53 2HB ASP 53 -4.679 14.043 0.668 382 H ASN 54 H ASN 54 -5.667 10.790 -1.410 383 HA ASN 54 HA ASN 54 -8.203 12.260 -1.281 384 1HB ASN 54 1HB ASN 54 -6.727 11.139 -3.257 385 2HB ASN 54 2HB ASN 54 -7.866 9.829 -2.968 386 1HD2 ASN 54 2HD2 ASN 54 -9.573 10.007 -4.419 387 2HD2 ASN 54 1HD2 ASN 54 -10.319 11.462 -4.876 388 H MET 55 H MET 55 -9.451 11.667 0.490 389 HA MET 55 HA MET 55 -9.554 8.923 1.477 390 1HB MET 55 1HB MET 55 -11.253 11.367 2.076 391 2HB MET 55 2HB MET 55 -11.108 9.929 3.086 392 1HG MET 55 1HG MET 55 -8.506 10.523 2.885 393 2HG MET 55 2HG MET 55 -9.160 12.145 2.654 394 1HE MET 55 1HE MET 55 -7.841 11.161 6.412 395 2HE MET 55 2HE MET 55 -7.514 12.347 5.151 396 3HE MET 55 3HE MET 55 -7.348 10.628 4.799 397 H ASP 56 H ASP 56 -10.603 9.735 -1.355 398 HA ASP 56 HA ASP 56 -13.459 8.989 -1.127 399 1HB ASP 56 1HB ASP 56 -12.080 10.709 -2.709 400 2HB ASP 56 2HB ASP 56 -12.084 9.282 -3.748 401 H LYS 57 H LYS 57 -10.435 7.449 -1.518 402 HA LYS 57 HA LYS 57 -9.831 5.279 -2.262 403 1HB LYS 57 1HB LYS 57 -12.661 4.727 -1.338 404 2HB LYS 57 2HB LYS 57 -11.289 3.622 -1.289 405 1HG LYS 57 1HG LYS 57 -10.981 4.355 0.823 406 2HG LYS 57 2HG LYS 57 -10.354 5.830 0.090 407 1HD LYS 57 1HD LYS 57 -12.007 6.768 1.387 408 2HD LYS 57 2HD LYS 57 -12.973 6.397 -0.042 409 1HE LYS 57 1HE LYS 57 -13.140 4.018 1.272 410 2HE LYS 57 2HE LYS 57 -13.031 5.139 2.643 411 1HZ LYS 57 1HZ LYS 57 -14.864 5.449 0.323 412 2HZ LYS 57 2HZ LYS 57 -14.767 6.484 1.668 413 3HZ LYS 57 3HZ LYS 57 -15.328 4.891 1.855 414 H LYS 58 H LYS 58 -11.408 7.107 -4.170 415 HA LYS 58 HA LYS 58 -12.329 4.941 -6.030 416 1HB LYS 58 1HB LYS 58 -13.432 7.738 -5.595 417 2HB LYS 58 2HB LYS 58 -14.039 6.580 -6.778 418 1HG LYS 58 1HG LYS 58 -13.902 5.269 -4.238 419 2HG LYS 58 2HG LYS 58 -14.744 6.804 -4.023 420 1HD LYS 58 1HD LYS 58 -16.496 6.196 -5.382 421 2HD LYS 58 2HD LYS 58 -15.481 5.187 -6.414 422 1HE LYS 58 1HE LYS 58 -16.247 3.376 -5.288 423 2HE LYS 58 2HE LYS 58 -15.444 3.996 -3.832 424 1HZ LYS 58 1HZ LYS 58 -18.070 5.002 -4.771 425 2HZ LYS 58 2HZ LYS 58 -17.329 5.269 -3.265 426 3HZ LYS 58 3HZ LYS 58 -17.927 3.728 -3.660 427 H ASP 59 H ASP 59 -10.563 7.933 -5.564 428 HA ASP 59 HA ASP 59 -10.176 8.689 -8.295 429 1HB ASP 59 1HB ASP 59 -9.659 10.228 -6.550 430 2HB ASP 59 2HB ASP 59 -8.638 9.054 -5.717 431 H LYS 60 H LYS 60 -9.517 7.024 -9.684 432 HA LYS 60 HA LYS 60 -7.406 5.136 -8.904 433 1HB LYS 60 1HB LYS 60 -9.390 5.554 -11.038 434 2HB LYS 60 2HB LYS 60 -7.868 4.874 -11.617 435 1HG LYS 60 1HG LYS 60 -9.114 3.735 -9.138 436 2HG LYS 60 2HG LYS 60 -9.769 3.279 -10.710 437 1HD LYS 60 1HD LYS 60 -6.801 3.179 -10.279 438 2HD LYS 60 2HD LYS 60 -7.807 1.872 -9.653 439 1HE LYS 60 1HE LYS 60 -7.762 0.970 -11.734 440 2HE LYS 60 2HE LYS 60 -8.741 2.347 -12.278 441 1HZ LYS 60 1HZ LYS 60 -6.634 2.220 -13.488 442 2HZ LYS 60 2HZ LYS 60 -5.778 2.338 -12.026 443 3HZ LYS 60 3HZ LYS 60 -6.729 3.639 -12.564 444 H SER 61 H SER 61 -7.134 8.271 -9.512 445 HA SER 61 HA SER 61 -5.150 8.310 -11.664 446 1HB SER 61 1HB SER 61 -6.757 10.122 -10.116 447 2HB SER 61 2HB SER 61 -5.078 10.650 -10.042 448 HG SER 61 HG SER 61 -6.833 10.751 -12.095 449 H ALA 62 H ALA 62 -3.299 10.130 -10.436 450 HA ALA 62 HA ALA 62 -1.716 8.192 -8.813 451 1HB ALA 62 1HB ALA 62 -0.443 10.693 -9.610 452 2HB ALA 62 2HB ALA 62 -1.205 9.884 -10.979 453 3HB ALA 62 3HB ALA 62 0.004 9.037 -10.016 454 H LYS 63 H LYS 63 -3.975 9.925 -7.717 455 HA LYS 63 HA LYS 63 -2.351 11.355 -5.635 456 1HB LYS 63 1HB LYS 63 -3.829 12.532 -7.608 457 2HB LYS 63 2HB LYS 63 -5.035 12.394 -6.328 458 1HG LYS 63 1HG LYS 63 -4.058 14.024 -5.107 459 2HG LYS 63 2HG LYS 63 -2.458 13.309 -5.306 460 1HD LYS 63 1HD LYS 63 -1.991 15.066 -6.649 461 2HD LYS 63 2HD LYS 63 -3.044 14.296 -7.837 462 1HE LYS 63 1HE LYS 63 -4.995 15.496 -6.663 463 2HE LYS 63 2HE LYS 63 -3.751 16.474 -5.858 464 1HZ LYS 63 1HZ LYS 63 -3.751 16.027 -8.785 465 2HZ LYS 63 2HZ LYS 63 -2.903 17.204 -7.901 466 3HZ LYS 63 3HZ LYS 63 -4.588 17.324 -8.083 467 H GLY 64 H GLY 64 -4.758 9.031 -6.303 468 1HA GLY 64 1HA GLY 64 -6.391 9.406 -3.960 469 2HA GLY 64 2HA GLY 64 -6.341 7.953 -4.949 470 H TYR 65 H TYR 65 -6.434 7.903 -2.139 471 HA TYR 65 HA TYR 65 -3.679 7.224 -1.257 472 1HB TYR 65 1HB TYR 65 -5.268 8.658 0.080 473 2HB TYR 65 2HB TYR 65 -6.302 7.242 0.262 474 HD1 TYR 65 HD1 TYR 65 -2.573 7.391 0.233 475 HD2 TYR 65 HD2 TYR 65 -6.117 6.701 2.553 476 HE1 TYR 65 HE1 TYR 65 -1.181 6.584 2.119 477 HE2 TYR 65 HE2 TYR 65 -4.726 5.896 4.442 478 HH TYR 65 HH TYR 65 -1.426 5.142 4.100 479 H TYR 66 H TYR 66 -6.713 5.705 -2.148 480 HA TYR 66 HA TYR 66 -5.788 3.087 -1.083 481 1HB TYR 66 1HB TYR 66 -8.006 3.489 -0.487 482 2HB TYR 66 2HB TYR 66 -8.347 4.363 -1.980 483 HD1 TYR 66 HD1 TYR 66 -8.503 1.190 -0.298 484 HD2 TYR 66 HD2 TYR 66 -8.395 3.054 -4.162 485 HE1 TYR 66 HE1 TYR 66 -9.399 -0.884 -1.318 486 HE2 TYR 66 HE2 TYR 66 -9.298 0.979 -5.190 487 HH TYR 66 HH TYR 66 -9.249 -1.932 -3.787 488 H HIS 67 H HIS 67 -5.555 4.884 -3.908 489 HA HIS 67 HA HIS 67 -5.911 2.654 -5.806 490 1HB HIS 67 1HB HIS 67 -6.542 4.730 -6.681 491 2HB HIS 67 2HB HIS 67 -5.210 5.575 -5.892 492 HD1 HIS 67 HD1 HIS 67 -5.779 3.047 -8.680 493 HD2 HIS 67 HD2 HIS 67 -2.969 5.891 -7.503 494 HE1 HIS 67 HE1 HIS 67 -4.028 3.119 -10.504 495 H ALA 68 H ALA 68 -3.164 4.901 -5.453 496 HA ALA 68 HA ALA 68 -1.171 3.317 -6.584 497 1HB ALA 68 1HB ALA 68 -1.299 5.447 -4.481 498 2HB ALA 68 2HB ALA 68 -0.560 5.501 -6.082 499 3HB ALA 68 3HB ALA 68 0.248 4.649 -4.764 500 H MET 69 H MET 69 -2.735 2.824 -3.499 501 HA MET 69 HA MET 69 -0.557 1.147 -2.441 502 1HB MET 69 1HB MET 69 -3.353 1.802 -1.486 503 2HB MET 69 2HB MET 69 -2.129 0.966 -0.532 504 1HG MET 69 1HG MET 69 -1.141 3.444 -1.732 505 2HG MET 69 2HG MET 69 -2.478 3.708 -0.617 506 1HE MET 69 1HE MET 69 1.613 3.789 0.551 507 2HE MET 69 2HE MET 69 0.415 4.887 -0.128 508 3HE MET 69 3HE MET 69 1.040 3.563 -1.109 509 H HIS 70 H HIS 70 -3.859 0.642 -3.722 510 HA HIS 70 HA HIS 70 -3.413 -2.295 -3.492 511 1HB HIS 70 1HB HIS 70 -5.897 -0.730 -4.239 512 2HB HIS 70 2HB HIS 70 -5.822 -2.420 -3.740 513 HD1 HIS 70 HD1 HIS 70 -6.036 1.006 -2.426 514 HD2 HIS 70 HD2 HIS 70 -5.073 -2.755 -0.926 515 HE1 HIS 70 HE1 HIS 70 -6.162 1.192 0.092 516 H ASP 71 H ASP 71 -3.416 0.259 -5.797 517 HA ASP 71 HA ASP 71 -4.131 -1.434 -8.092 518 1HB ASP 71 1HB ASP 71 -3.093 1.399 -7.801 519 2HB ASP 71 2HB ASP 71 -3.716 0.698 -9.290 520 H LYS 72 H LYS 72 -2.688 -2.312 -9.550 521 HA LYS 72 HA LYS 72 0.215 -2.139 -8.867 522 1HB LYS 72 1HB LYS 72 0.292 -4.218 -10.272 523 2HB LYS 72 2HB LYS 72 -0.817 -4.358 -8.907 524 1HG LYS 72 1HG LYS 72 -2.119 -3.230 -11.265 525 2HG LYS 72 2HG LYS 72 -1.450 -4.832 -11.577 526 1HD LYS 72 1HD LYS 72 -2.881 -5.865 -10.118 527 2HD LYS 72 2HD LYS 72 -2.890 -4.499 -9.001 528 1HE LYS 72 1HE LYS 72 -4.261 -3.239 -10.764 529 2HE LYS 72 2HE LYS 72 -4.471 -4.808 -11.567 530 1HZ LYS 72 1HZ LYS 72 -5.319 -5.733 -9.523 531 2HZ LYS 72 2HZ LYS 72 -6.236 -4.363 -9.935 532 3HZ LYS 72 3HZ LYS 72 -5.068 -4.269 -8.705 533 H GLY 73 H GLY 73 1.333 -2.791 -11.307 534 1HA GLY 73 1HA GLY 73 2.149 -1.609 -13.186 535 2HA GLY 73 2HA GLY 73 0.453 -1.662 -13.671 536 H THR 74 H THR 74 1.391 0.008 -10.759 537 HA THR 74 HA THR 74 0.263 2.520 -11.738 538 HB THR 74 HB THR 74 1.271 3.151 -9.373 539 HG1 THR 74 1HG THR 74 2.547 1.138 -9.494 540 1HG2 THR 74 1HG2 THR 74 -1.083 2.936 -9.591 541 2HG2 THR 74 2HG2 THR 74 -0.645 1.812 -8.303 542 3HG2 THR 74 3HG2 THR 74 -0.972 1.208 -9.928 543 H LYS 75 H LYS 75 1.574 4.590 -11.537 544 HA LYS 75 HA LYS 75 3.752 4.845 -13.186 545 1HB LYS 75 1HB LYS 75 2.401 6.501 -11.587 546 2HB LYS 75 2HB LYS 75 3.812 6.289 -10.554 547 1HG LYS 75 1HG LYS 75 4.091 8.231 -12.057 548 2HG LYS 75 2HG LYS 75 5.283 6.980 -12.405 549 1HD LYS 75 1HD LYS 75 3.020 6.350 -13.972 550 2HD LYS 75 2HD LYS 75 3.267 8.088 -14.149 551 1HE LYS 75 1HE LYS 75 5.112 7.764 -15.427 552 2HE LYS 75 2HE LYS 75 5.797 6.627 -14.247 553 1HZ LYS 75 1HZ LYS 75 5.331 5.198 -15.952 554 2HZ LYS 75 2HZ LYS 75 4.002 6.101 -16.508 555 3HZ LYS 75 3HZ LYS 75 3.854 5.131 -15.121 556 H PHE 76 H PHE 76 3.782 3.705 -9.844 557 HA PHE 76 HA PHE 76 6.590 2.737 -10.237 558 1HB PHE 76 1HB PHE 76 5.471 4.128 -7.784 559 2HB PHE 76 2HB PHE 76 7.122 3.560 -7.999 560 HD1 PHE 76 HD1 PHE 76 8.520 4.577 -9.886 561 HD2 PHE 76 HD2 PHE 76 4.760 6.210 -8.604 562 HE1 PHE 76 HE1 PHE 76 9.064 6.721 -11.010 563 HE2 PHE 76 HE2 PHE 76 5.304 8.351 -9.725 564 HZ PHE 76 HZ PHE 76 7.452 8.600 -10.926 565 H LYS 77 H LYS 77 7.108 1.152 -8.282 566 HA LYS 77 HA LYS 77 5.030 -0.860 -8.263 567 1HB LYS 77 1HB LYS 77 6.564 -1.975 -6.676 568 2HB LYS 77 2HB LYS 77 7.405 -1.412 -8.116 569 1HG LYS 77 1HG LYS 77 8.039 0.663 -6.831 570 2HG LYS 77 2HG LYS 77 7.366 -0.099 -5.390 571 1HD LYS 77 1HD LYS 77 9.842 -0.443 -5.612 572 2HD LYS 77 2HD LYS 77 8.933 -1.952 -5.579 573 1HE LYS 77 1HE LYS 77 9.453 -0.703 -8.253 574 2HE LYS 77 2HE LYS 77 10.785 -1.554 -7.445 575 1HZ LYS 77 1HZ LYS 77 9.802 -3.509 -7.769 576 2HZ LYS 77 2HZ LYS 77 8.712 -2.726 -8.810 577 3HZ LYS 77 3HZ LYS 77 8.315 -2.952 -7.173 578 H SER 78 H SER 78 3.243 -0.566 -7.187 579 HA SER 78 HA SER 78 2.911 1.286 -4.974 580 1HB SER 78 1HB SER 78 0.600 -0.081 -5.116 581 2HB SER 78 2HB SER 78 1.034 1.154 -6.293 582 HG SER 78 HG SER 78 0.621 -0.547 -7.547 583 H CYS 79 H CYS 79 1.602 0.419 -2.999 584 HA CYS 79 HA CYS 79 3.214 -1.335 -1.444 585 1HB CYS 79 1HB CYS 79 0.285 -0.572 -1.214 586 2HB CYS 79 2HB CYS 79 1.275 -1.203 0.097 587 H VAL 80 H VAL 80 -0.142 -2.001 -2.487 588 HA VAL 80 HA VAL 80 0.090 -4.858 -2.170 589 HB VAL 80 HB VAL 80 -1.784 -2.969 -3.602 590 1HG1 VAL 80 1HG1 VAL 80 -3.045 -5.475 -3.307 591 2HG1 VAL 80 2HG1 VAL 80 -1.475 -5.804 -4.041 592 3HG1 VAL 80 3HG1 VAL 80 -2.591 -4.678 -4.815 593 1HG2 VAL 80 1HG2 VAL 80 -3.126 -4.475 -1.655 594 2HG2 VAL 80 2HG2 VAL 80 -2.573 -2.810 -1.480 595 3HG2 VAL 80 3HG2 VAL 80 -1.551 -4.139 -0.936 596 H GLY 81 H GLY 81 0.825 -2.626 -4.772 597 1HA GLY 81 1HA GLY 81 0.951 -4.609 -6.885 598 2HA GLY 81 2HA GLY 81 1.638 -2.984 -6.954 599 H CYS 82 H CYS 82 3.338 -3.094 -4.720 600 HA CYS 82 HA CYS 82 5.588 -4.624 -5.805 601 1HB CYS 82 1HB CYS 82 5.476 -2.319 -4.542 602 2HB CYS 82 2HB CYS 82 5.448 -3.314 -3.089 603 H HIS 83 H HIS 83 3.123 -4.990 -3.411 604 HA HIS 83 HA HIS 83 4.391 -7.063 -1.834 605 1HB HIS 83 1HB HIS 83 1.743 -5.719 -2.143 606 2HB HIS 83 2HB HIS 83 1.769 -7.251 -1.288 607 HD1 HIS 83 HD1 HIS 83 1.297 -5.976 0.983 608 HD2 HIS 83 HD2 HIS 83 4.881 -4.940 -0.875 609 HE1 HIS 83 HE1 HIS 83 2.668 -4.747 2.716 610 H LEU 84 H LEU 84 1.597 -7.204 -4.119 611 HA LEU 84 HA LEU 84 1.374 -9.984 -4.348 612 1HB LEU 84 1HB LEU 84 0.408 -7.638 -5.539 613 2HB LEU 84 2HB LEU 84 1.096 -8.561 -6.871 614 HG LEU 84 HG LEU 84 -0.654 -9.916 -4.849 615 1HD1 LEU 84 1HD1 LEU 84 -1.738 -8.662 -7.373 616 2HD1 LEU 84 2HD1 LEU 84 -1.751 -7.799 -5.834 617 3HD1 LEU 84 3HD1 LEU 84 -2.637 -9.315 -6.003 618 1HD2 LEU 84 1HD2 LEU 84 -1.056 -11.453 -6.679 619 2HD2 LEU 84 2HD2 LEU 84 0.684 -11.180 -6.578 620 3HD2 LEU 84 3HD2 LEU 84 -0.267 -10.369 -7.823 621 H GLU 85 H GLU 85 3.735 -7.784 -5.768 622 HA GLU 85 HA GLU 85 4.887 -9.841 -7.531 623 1HB GLU 85 1HB GLU 85 5.566 -6.987 -6.770 624 2HB GLU 85 2HB GLU 85 6.543 -7.929 -7.898 625 1HG GLU 85 1HG GLU 85 3.565 -7.625 -8.279 626 2HG GLU 85 2HG GLU 85 4.698 -6.423 -8.902 627 H THR 86 H THR 86 6.004 -7.957 -4.686 628 HA THR 86 HA THR 86 8.480 -9.268 -4.292 629 HB THR 86 HB THR 86 6.464 -7.856 -2.554 630 HG1 THR 86 1HG THR 86 7.750 -6.268 -2.982 631 1HG2 THR 86 1HG2 THR 86 9.091 -8.995 -1.561 632 2HG2 THR 86 2HG2 THR 86 7.505 -9.660 -1.170 633 3HG2 THR 86 3HG2 THR 86 7.939 -8.039 -0.629 634 H ALA 87 H ALA 87 5.255 -10.432 -3.863 635 HA ALA 87 HA ALA 87 6.035 -12.599 -2.013 636 1HB ALA 87 1HB ALA 87 3.553 -11.454 -3.225 637 2HB ALA 87 2HB ALA 87 3.885 -11.872 -1.544 638 3HB ALA 87 3HB ALA 87 3.497 -13.140 -2.708 639 H GLY 88 H GLY 88 5.189 -12.133 -5.413 640 1HA GLY 88 1HA GLY 88 5.410 -13.552 -7.264 641 2HA GLY 88 2HA GLY 88 6.680 -14.360 -6.343 642 H ALA 89 H ALA 89 6.226 -16.508 -6.381 643 HA ALA 89 HA ALA 89 3.405 -17.429 -6.258 644 1HB ALA 89 1HB ALA 89 5.350 -18.201 -7.828 645 2HB ALA 89 2HB ALA 89 4.278 -19.421 -7.141 646 3HB ALA 89 3HB ALA 89 5.868 -19.143 -6.430 647 H ASP 90 H ASP 90 4.198 -16.272 -3.848 648 HA ASP 90 HA ASP 90 4.655 -18.644 -2.081 649 1HB ASP 90 1HB ASP 90 6.492 -17.045 -2.068 650 2HB ASP 90 2HB ASP 90 5.378 -15.715 -1.766 651 H ALA 91 H ALA 91 2.300 -18.909 -2.215 652 HA ALA 91 HA ALA 91 0.212 -17.228 -1.673 653 1HB ALA 91 1HB ALA 91 -0.749 -19.204 -0.387 654 2HB ALA 91 2HB ALA 91 0.839 -19.959 -0.517 655 3HB ALA 91 3HB ALA 91 -0.090 -19.600 -1.973 656 H ALA 92 H ALA 92 2.744 -18.111 0.591 657 HA ALA 92 HA ALA 92 1.390 -17.089 2.966 658 1HB ALA 92 1HB ALA 92 3.459 -17.632 4.025 659 2HB ALA 92 2HB ALA 92 4.362 -17.440 2.522 660 3HB ALA 92 3HB ALA 92 3.296 -18.828 2.739 661 H LYS 93 H LYS 93 3.780 -15.917 0.644 662 HA LYS 93 HA LYS 93 4.142 -13.327 1.914 663 1HB LYS 93 1HB LYS 93 4.960 -14.829 -0.504 664 2HB LYS 93 2HB LYS 93 4.988 -13.078 -0.664 665 1HG LYS 93 1HG LYS 93 6.333 -12.976 1.457 666 2HG LYS 93 2HG LYS 93 6.403 -14.739 1.435 667 1HD LYS 93 1HD LYS 93 7.430 -14.603 -0.856 668 2HD LYS 93 2HD LYS 93 7.504 -12.850 -0.664 669 1HE LYS 93 1HE LYS 93 9.565 -13.263 0.245 670 2HE LYS 93 2HE LYS 93 8.650 -13.739 1.689 671 1HZ LYS 93 1HZ LYS 93 8.395 -15.934 0.242 672 2HZ LYS 93 2HZ LYS 93 9.694 -15.699 1.314 673 3HZ LYS 93 3HZ LYS 93 9.897 -15.412 -0.348 674 H LYS 94 H LYS 94 1.915 -14.751 -0.371 675 HA LYS 94 HA LYS 94 0.949 -12.228 -1.488 676 1HB LYS 94 1HB LYS 94 0.676 -15.043 -1.889 677 2HB LYS 94 2HB LYS 94 -0.944 -14.381 -1.664 678 1HG LYS 94 1HG LYS 94 0.456 -12.552 -3.321 679 2HG LYS 94 2HG LYS 94 0.775 -14.165 -3.962 680 1HD LYS 94 1HD LYS 94 -1.906 -14.318 -3.394 681 2HD LYS 94 2HD LYS 94 -1.744 -12.635 -3.899 682 1HE LYS 94 1HE LYS 94 -1.546 -13.264 -6.066 683 2HE LYS 94 2HE LYS 94 -0.213 -14.365 -5.660 684 1HZ LYS 94 1HZ LYS 94 -2.046 -15.668 -6.448 685 2HZ LYS 94 2HZ LYS 94 -3.122 -14.906 -5.378 686 3HZ LYS 94 3HZ LYS 94 -1.901 -15.924 -4.779 687 H LYS 95 H LYS 95 0.222 -14.210 1.304 688 HA LYS 95 HA LYS 95 -2.327 -12.830 1.865 689 1HB LYS 95 1HB LYS 95 -2.512 -14.462 3.584 690 2HB LYS 95 2HB LYS 95 -1.669 -15.300 2.282 691 1HG LYS 95 1HG LYS 95 -0.062 -15.784 3.788 692 2HG LYS 95 2HG LYS 95 0.376 -14.077 3.731 693 1HD LYS 95 1HD LYS 95 -1.187 -13.589 5.558 694 2HD LYS 95 2HD LYS 95 -1.687 -15.280 5.599 695 1HE LYS 95 1HE LYS 95 1.211 -15.064 5.762 696 2HE LYS 95 2HE LYS 95 0.422 -14.154 7.066 697 1HZ LYS 95 1HZ LYS 95 -1.051 -16.126 7.373 698 2HZ LYS 95 2HZ LYS 95 0.575 -16.404 7.779 699 3HZ LYS 95 3HZ LYS 95 -0.049 -16.986 6.309 700 H GLU 96 H GLU 96 1.038 -12.543 2.632 701 HA GLU 96 HA GLU 96 0.573 -10.832 5.008 702 1HB GLU 96 1HB GLU 96 2.985 -11.028 5.207 703 2HB GLU 96 2HB GLU 96 2.352 -12.613 4.797 704 1HG GLU 96 1HG GLU 96 2.947 -12.295 2.477 705 2HG GLU 96 2HG GLU 96 3.464 -10.641 2.805 706 H LEU 97 H LEU 97 1.952 -10.654 1.764 707 HA LEU 97 HA LEU 97 2.476 -7.784 1.887 708 1HB LEU 97 1HB LEU 97 2.391 -9.758 -0.405 709 2HB LEU 97 2HB LEU 97 3.160 -8.171 -0.436 710 HG LEU 97 HG LEU 97 3.962 -10.602 1.159 711 1HD1 LEU 97 1HD1 LEU 97 5.236 -8.778 -0.866 712 2HD1 LEU 97 2HD1 LEU 97 5.036 -10.529 -0.935 713 3HD1 LEU 97 3HD1 LEU 97 6.209 -9.818 0.175 714 1HD2 LEU 97 1HD2 LEU 97 4.866 -7.731 1.565 715 2HD2 LEU 97 2HD2 LEU 97 5.570 -9.145 2.350 716 3HD2 LEU 97 3HD2 LEU 97 3.908 -8.675 2.706 717 H THR 98 H THR 98 0.401 -9.617 -0.381 718 HA THR 98 HA THR 98 -1.225 -7.207 -0.837 719 HB THR 98 HB THR 98 -2.332 -8.747 -2.477 720 HG1 THR 98 1HG THR 98 -1.614 -10.593 -0.975 721 1HG2 THR 98 1HG2 THR 98 0.514 -9.247 -3.006 722 2HG2 THR 98 2HG2 THR 98 0.160 -7.578 -2.561 723 3HG2 THR 98 3HG2 THR 98 -0.655 -8.313 -3.940 724 H GLY 99 H GLY 99 -1.387 -9.998 1.198 725 1HA GLY 99 1HA GLY 99 -4.113 -10.518 1.440 726 2HA GLY 99 2HA GLY 99 -3.007 -10.556 2.815 727 H CYS 100 H CYS 100 -5.807 -9.213 1.866 728 HA CYS 100 HA CYS 100 -5.356 -6.471 2.812 729 1HB CYS 100 1HB CYS 100 -8.091 -7.515 2.545 730 2HB CYS 100 2HB CYS 100 -7.388 -6.075 1.865 731 H LYS 101 H LYS 101 -7.644 -9.012 3.829 732 HA LYS 101 HA LYS 101 -7.731 -7.744 6.503 733 1HB LYS 101 1HB LYS 101 -9.335 -9.842 5.036 734 2HB LYS 101 2HB LYS 101 -9.629 -9.461 6.733 735 1HG LYS 101 1HG LYS 101 -9.913 -7.053 6.079 736 2HG LYS 101 2HG LYS 101 -9.795 -7.546 4.389 737 1HD LYS 101 1HD LYS 101 -12.154 -7.367 5.087 738 2HD LYS 101 2HD LYS 101 -11.741 -9.034 4.685 739 1HE LYS 101 1HE LYS 101 -11.943 -9.751 6.864 740 2HE LYS 101 2HE LYS 101 -11.356 -8.213 7.529 741 1HZ LYS 101 1HZ LYS 101 -13.397 -7.159 7.017 742 2HZ LYS 101 2HZ LYS 101 -13.804 -8.612 7.799 743 3HZ LYS 101 3HZ LYS 101 -13.947 -8.483 6.111 744 H GLY 102 H GLY 102 -5.513 -9.696 5.380 745 1HA GLY 102 1HA GLY 102 -5.159 -11.083 7.936 746 2HA GLY 102 2HA GLY 102 -5.454 -12.165 6.576 747 H SER 103 H SER 103 -3.610 -9.114 6.574 748 HA SER 103 HA SER 103 -1.201 -10.706 5.802 749 1HB SER 103 1HB SER 103 -0.799 -9.039 4.171 750 2HB SER 103 2HB SER 103 -2.513 -9.371 4.068 751 HG SER 103 HG SER 103 -2.477 -7.225 4.233 752 H LYS 104 H LYS 104 0.327 -8.226 5.630 753 HA LYS 104 HA LYS 104 0.890 -7.807 8.533 754 1HB LYS 104 1HB LYS 104 2.386 -7.280 5.945 755 2HB LYS 104 2HB LYS 104 3.039 -6.960 7.551 756 1HG LYS 104 1HG LYS 104 1.959 -9.694 7.005 757 2HG LYS 104 2HG LYS 104 3.521 -9.270 6.306 758 1HD LYS 104 1HD LYS 104 4.466 -8.807 8.452 759 2HD LYS 104 2HD LYS 104 2.883 -8.843 9.231 760 1HE LYS 104 1HE LYS 104 2.713 -11.193 9.061 761 2HE LYS 104 2HE LYS 104 3.954 -11.278 7.794 762 1HZ LYS 104 1HZ LYS 104 5.620 -10.611 9.328 763 2HZ LYS 104 2HZ LYS 104 4.759 -11.875 10.069 764 3HZ LYS 104 3HZ LYS 104 4.479 -10.265 10.534 765 H CYS 105 H CYS 105 -0.103 -6.319 5.584 766 HA CYS 105 HA CYS 105 0.301 -3.557 6.389 767 1HB CYS 105 1HB CYS 105 -0.087 -5.066 4.091 768 2HB CYS 105 2HB CYS 105 -1.591 -4.196 4.259 769 H HIS 106 H HIS 106 -2.299 -5.910 6.655 770 HA HIS 106 HA HIS 106 -4.061 -3.766 7.801 771 1HB HIS 106 1HB HIS 106 -4.489 -6.028 5.905 772 2HB HIS 106 2HB HIS 106 -5.811 -5.642 7.010 773 HD1 HIS 106 HD1 HIS 106 -5.196 -2.525 7.075 774 HD2 HIS 106 HD2 HIS 106 -5.717 -4.829 3.619 775 HE1 HIS 106 HE1 HIS 106 -5.766 -0.905 5.222 776 H SER 107 H SER 107 -2.965 -4.374 9.896 777 HA SER 107 HA SER 107 -3.397 -7.068 10.965 778 1HB SER 107 1HB SER 107 -1.459 -5.544 11.473 779 2HB SER 107 2HB SER 107 -2.576 -4.481 12.325 780 HG SER 107 HG SER 107 -1.434 -6.813 13.121 781 HHA HEC 201 HHA HEC 201 5.999 8.661 5.678 782 HHB HEC 201 HHB HEC 201 12.056 9.842 4.824 783 HHC HEC 201 HHC HEC 201 12.585 4.660 1.174 784 HHD HEC 201 HHD HEC 201 6.470 3.594 1.845 785 1HMA HEC 201 1HMA HEC 201 11.236 10.637 7.059 786 2HMA HEC 201 2HMA HEC 201 9.710 10.779 7.937 787 3HMA HEC 201 3HMA HEC 201 10.100 11.924 6.652 788 1HAA HEC 201 1HAA HEC 201 6.666 9.580 7.526 789 2HAA HEC 201 2HAA HEC 201 7.806 10.893 7.812 790 1HBA HEC 201 1HBA HEC 201 6.497 11.267 5.271 791 2HBA HEC 201 2HBA HEC 201 5.293 11.061 6.543 792 1HMB HEC 201 1HMB HEC 201 15.097 8.354 4.443 793 2HMB HEC 201 2HMB HEC 201 13.986 9.720 4.340 794 3HMB HEC 201 3HMB HEC 201 14.922 9.235 2.926 795 HAB HEC 201 HAB HEC 201 14.448 5.490 1.321 796 1HBB HEC 201 1HBB HEC 201 16.617 6.306 2.959 797 2HBB HEC 201 2HBB HEC 201 15.847 4.720 2.909 798 3HBB HEC 201 3HBB HEC 201 15.275 5.943 4.042 799 1HMC HEC 201 1HMC HEC 201 11.408 1.602 0.567 800 2HMC HEC 201 2HMC HEC 201 10.939 2.449 -0.908 801 3HMC HEC 201 3HMC HEC 201 12.256 3.072 0.088 802 HAC HEC 201 HAC HEC 201 7.150 2.164 0.680 803 1HBC HEC 201 1HBC HEC 201 8.077 0.091 -0.252 804 2HBC HEC 201 2HBC HEC 201 8.794 0.424 1.324 805 3HBC HEC 201 3HBC HEC 201 9.706 0.760 -0.148 806 1HMD HEC 201 1HMD HEC 201 4.815 3.363 2.875 807 2HMD HEC 201 2HMD HEC 201 3.477 4.511 2.864 808 3HMD HEC 201 3HMD HEC 201 4.023 3.801 4.384 809 1HAD HEC 201 1HAD HEC 201 4.127 7.973 5.339 810 2HAD HEC 201 2HAD HEC 201 3.118 7.017 4.262 811 1HBD HEC 201 1HBD HEC 201 4.355 5.717 6.670 812 2HBD HEC 201 2HBD HEC 201 2.907 6.705 6.860 813 HHA HEC 202 HHA HEC 202 1.492 7.641 -9.502 814 HHB HEC 202 HHB HEC 202 2.876 4.009 -4.911 815 HHC HEC 202 HHC HEC 202 4.497 8.824 -1.250 816 HHD HEC 202 HHD HEC 202 2.703 12.830 -5.870 817 1HMA HEC 202 1HMA HEC 202 2.086 2.740 -7.264 818 2HMA HEC 202 2HMA HEC 202 0.396 3.156 -7.550 819 3HMA HEC 202 3HMA HEC 202 1.029 3.120 -5.904 820 1HAA HEC 202 1HAA HEC 202 1.066 5.252 -10.053 821 2HAA HEC 202 2HAA HEC 202 -0.013 4.344 -9.033 822 1HBA HEC 202 1HBA HEC 202 -1.390 6.303 -8.660 823 2HBA HEC 202 2HBA HEC 202 -0.265 7.304 -9.569 824 1HMB HEC 202 1HMB HEC 202 5.029 3.525 -2.206 825 2HMB HEC 202 2HMB HEC 202 3.367 3.553 -1.615 826 3HMB HEC 202 3HMB HEC 202 3.694 3.184 -3.308 827 HAB HEC 202 HAB HEC 202 4.136 6.919 0.037 828 1HBB HEC 202 1HBB HEC 202 6.548 6.174 -1.260 829 2HBB HEC 202 2HBB HEC 202 6.289 5.012 0.040 830 3HBB HEC 202 3HBB HEC 202 6.352 6.737 0.401 831 1HMC HEC 202 1HMC HEC 202 4.664 12.657 -1.004 832 2HMC HEC 202 2HMC HEC 202 5.833 11.349 -1.176 833 3HMC HEC 202 3HMC HEC 202 4.287 11.050 -0.384 834 HAC HEC 202 HAC HEC 202 2.797 13.903 -4.067 835 1HBC HEC 202 1HBC HEC 202 5.258 14.292 -3.928 836 2HBC HEC 202 2HBC HEC 202 5.200 13.977 -2.193 837 3HBC HEC 202 3HBC HEC 202 4.379 15.388 -2.861 838 1HMD HEC 202 1HMD HEC 202 2.876 13.438 -8.420 839 2HMD HEC 202 2HMD HEC 202 1.137 13.375 -8.131 840 3HMD HEC 202 3HMD HEC 202 1.786 12.920 -9.707 841 1HAD HEC 202 1HAD HEC 202 1.756 9.226 -10.743 842 2HAD HEC 202 2HAD HEC 202 1.076 10.842 -10.852 843 1HBD HEC 202 1HBD HEC 202 3.421 11.752 -10.718 844 2HBD HEC 202 2HBD HEC 202 4.005 10.091 -10.832 845 HHA HEC 203 HHA HEC 203 7.083 -6.910 4.617 846 HHB HEC 203 HHB HEC 203 2.720 -2.126 4.921 847 HHC HEC 203 HHC HEC 203 4.590 -0.011 -0.454 848 HHD HEC 203 HHD HEC 203 8.988 -4.495 -0.891 849 1HMA HEC 203 1HMA HEC 203 3.540 -3.398 7.635 850 2HMA HEC 203 2HMA HEC 203 3.108 -5.107 7.573 851 3HMA HEC 203 3HMA HEC 203 2.220 -3.937 6.597 852 1HAA HEC 203 1HAA HEC 203 4.845 -6.183 7.723 853 2HAA HEC 203 2HAA HEC 203 4.622 -7.373 6.448 854 1HBA HEC 203 1HBA HEC 203 6.846 -7.840 6.324 855 2HBA HEC 203 2HBA HEC 203 7.312 -6.154 6.551 856 1HMB HEC 203 1HMB HEC 203 2.172 1.276 4.080 857 2HMB HEC 203 2HMB HEC 203 2.239 -0.155 5.109 858 3HMB HEC 203 3HMB HEC 203 1.045 -0.055 3.814 859 HAB HEC 203 HAB HEC 203 2.834 0.844 0.086 860 1HBB HEC 203 1HBB HEC 203 3.333 3.061 0.476 861 2HBB HEC 203 2HBB HEC 203 4.439 2.329 1.640 862 3HBB HEC 203 3HBB HEC 203 2.883 2.958 2.179 863 1HMC HEC 203 1HMC HEC 203 5.527 0.284 -2.206 864 2HMC HEC 203 2HMC HEC 203 7.190 0.177 -2.783 865 3HMC HEC 203 3HMC HEC 203 5.942 -0.840 -3.501 866 HAC HEC 203 HAC HEC 203 9.209 -3.344 -2.524 867 1HBC HEC 203 1HBC HEC 203 9.846 -1.566 -3.909 868 2HBC HEC 203 2HBC HEC 203 9.097 -0.712 -2.561 869 3HBC HEC 203 3HBC HEC 203 8.196 -0.961 -4.052 870 1HMD HEC 203 1HMD HEC 203 10.098 -7.751 0.341 871 2HMD HEC 203 2HMD HEC 203 11.048 -6.426 1.014 872 3HMD HEC 203 3HMD HEC 203 10.165 -6.201 -0.496 873 1HAD HEC 203 1HAD HEC 203 10.168 -7.818 3.177 874 2HAD HEC 203 2HAD HEC 203 8.700 -7.964 4.136 875 1HBD HEC 203 1HBD HEC 203 7.675 -9.304 2.300 876 2HBD HEC 203 2HBD HEC 203 9.204 -9.221 1.426 877 HHA HEC 204 HHA HEC 204 -6.736 2.255 3.909 878 HHB HEC 204 HHB HEC 204 -9.917 -1.993 0.672 879 HHC HEC 204 HHC HEC 204 -4.725 -5.874 0.975 880 HHD HEC 204 HHD HEC 204 -1.409 -0.941 2.772 881 1HMA HEC 204 1HMA HEC 204 -10.927 1.073 0.836 882 2HMA HEC 204 2HMA HEC 204 -11.611 0.532 2.370 883 3HMA HEC 204 3HMA HEC 204 -11.232 -0.643 1.111 884 1HAA HEC 204 1HAA HEC 204 -9.986 2.098 4.342 885 2HAA HEC 204 2HAA HEC 204 -8.503 2.901 3.838 886 1HBA HEC 204 1HBA HEC 204 -9.470 3.440 1.672 887 2HBA HEC 204 2HBA HEC 204 -10.905 2.493 2.048 888 1HMB HEC 204 1HMB HEC 204 -9.546 -4.624 -1.749 889 2HMB HEC 204 2HMB HEC 204 -10.394 -3.730 -0.489 890 3HMB HEC 204 3HMB HEC 204 -10.090 -5.456 -0.292 891 HAB HEC 204 HAB HEC 204 -6.401 -6.917 0.171 892 1HBB HEC 204 1HBB HEC 204 -5.471 -6.263 -1.893 893 2HBB HEC 204 2HBB HEC 204 -7.024 -5.704 -2.517 894 3HBB HEC 204 3HBB HEC 204 -6.717 -7.431 -2.335 895 1HMC HEC 204 1HMC HEC 204 -2.952 -6.612 1.478 896 2HMC HEC 204 2HMC HEC 204 -1.572 -6.042 0.539 897 3HMC HEC 204 3HMC HEC 204 -1.458 -6.155 2.295 898 HAC HEC 204 HAC HEC 204 -0.330 -2.451 2.984 899 1HBC HEC 204 1HBC HEC 204 0.208 -2.618 0.499 900 2HBC HEC 204 2HBC HEC 204 0.477 -4.342 0.749 901 3HBC HEC 204 3HBC HEC 204 1.496 -3.162 1.574 902 1HMD HEC 204 1HMD HEC 204 -1.113 1.153 4.511 903 2HMD HEC 204 2HMD HEC 204 -0.941 1.488 2.788 904 3HMD HEC 204 3HMD HEC 204 -1.563 2.734 3.871 905 1HAD HEC 204 1HAD HEC 204 -3.664 3.918 3.720 906 2HAD HEC 204 2HAD HEC 204 -5.294 3.513 4.247 907 1HBD HEC 204 1HBD HEC 204 -3.957 2.268 6.187 908 2HBD HEC 204 2HBD HEC 204 -2.747 3.482 5.783 Start of MODEL 3 1 1H ALA 1 1H ALA 1 21.432 14.431 2.118 2 2H ALA 1 2H ALA 1 20.420 14.809 3.429 3 3H ALA 1 3H ALA 1 20.139 15.508 1.907 4 HA ALA 1 HA ALA 1 19.167 13.640 1.050 5 1HB ALA 1 1HB ALA 1 21.379 12.515 2.610 6 2HB ALA 1 2HB ALA 1 20.695 11.960 1.082 7 3HB ALA 1 3HB ALA 1 19.954 11.477 2.608 8 HA PRO 2 HA PRO 2 15.881 13.441 3.954 9 1HB PRO 2 1HB PRO 2 14.568 11.185 3.133 10 2HB PRO 2 2HB PRO 2 14.527 12.708 2.230 11 1HG PRO 2 1HG PRO 2 16.139 10.259 1.736 12 2HG PRO 2 2HG PRO 2 15.364 11.352 0.579 13 1HD PRO 2 1HD PRO 2 18.036 11.392 1.141 14 2HD PRO 2 2HD PRO 2 17.125 12.812 0.581 15 H LYS 3 H LYS 3 15.682 12.647 6.037 16 HA LYS 3 HA LYS 3 17.310 10.264 6.759 17 1HB LYS 3 1HB LYS 3 15.830 12.307 8.427 18 2HB LYS 3 2HB LYS 3 16.960 11.098 9.031 19 1HG LYS 3 1HG LYS 3 18.812 12.190 8.172 20 2HG LYS 3 2HG LYS 3 17.893 12.933 6.862 21 1HD LYS 3 1HD LYS 3 16.689 14.254 8.746 22 2HD LYS 3 2HD LYS 3 18.053 13.768 9.754 23 1HE LYS 3 1HE LYS 3 19.616 14.768 8.091 24 2HE LYS 3 2HE LYS 3 18.219 15.321 7.146 25 1HZ LYS 3 1HZ LYS 3 17.426 16.256 9.394 26 2HZ LYS 3 2HZ LYS 3 18.619 17.110 8.538 27 3HZ LYS 3 3HZ LYS 3 19.053 16.131 9.857 28 H ALA 4 H ALA 4 15.837 8.712 5.870 29 HA ALA 4 HA ALA 4 13.128 8.342 6.143 30 1HB ALA 4 1HB ALA 4 13.605 6.104 5.728 31 2HB ALA 4 2HB ALA 4 14.932 6.069 6.890 32 3HB ALA 4 3HB ALA 4 15.158 6.832 5.316 33 HA PRO 5 HA PRO 5 12.482 8.392 10.508 34 1HB PRO 5 1HB PRO 5 9.843 7.649 10.464 35 2HB PRO 5 2HB PRO 5 10.410 9.284 10.089 36 1HG PRO 5 1HG PRO 5 9.485 7.145 8.264 37 2HG PRO 5 2HG PRO 5 9.388 8.901 8.096 38 1HD PRO 5 1HD PRO 5 11.230 7.263 6.809 39 2HD PRO 5 2HD PRO 5 11.374 9.019 7.013 40 H ALA 6 H ALA 6 11.916 6.842 12.221 41 HA ALA 6 HA ALA 6 13.041 4.273 11.871 42 1HB ALA 6 1HB ALA 6 12.390 3.973 14.125 43 2HB ALA 6 2HB ALA 6 10.945 4.964 13.928 44 3HB ALA 6 3HB ALA 6 12.536 5.724 13.965 45 H ASP 7 H ASP 7 11.606 2.275 12.604 46 HA ASP 7 HA ASP 7 9.579 1.891 10.510 47 1HB ASP 7 1HB ASP 7 10.468 -0.008 12.690 48 2HB ASP 7 2HB ASP 7 9.859 -0.404 11.086 49 H GLY 8 H GLY 8 7.454 0.972 11.126 50 1HA GLY 8 1HA GLY 8 5.701 0.569 12.748 51 2HA GLY 8 2HA GLY 8 6.572 1.589 13.892 52 H LEU 9 H LEU 9 6.428 2.875 10.724 53 HA LEU 9 HA LEU 9 4.981 5.209 11.530 54 1HB LEU 9 1HB LEU 9 6.379 4.249 9.283 55 2HB LEU 9 2HB LEU 9 4.749 4.598 8.700 56 HG LEU 9 HG LEU 9 5.917 6.611 10.530 57 1HD1 LEU 9 1HD1 LEU 9 7.905 6.536 9.363 58 2HD1 LEU 9 2HD1 LEU 9 6.986 7.535 8.235 59 3HD1 LEU 9 3HD1 LEU 9 7.159 5.803 7.941 60 1HD2 LEU 9 1HD2 LEU 9 4.997 7.996 8.446 61 2HD2 LEU 9 2HD2 LEU 9 3.893 7.321 9.650 62 3HD2 LEU 9 3HD2 LEU 9 4.145 6.485 8.119 63 H LYS 10 H LYS 10 2.830 5.351 11.940 64 HA LYS 10 HA LYS 10 1.070 3.148 11.019 65 1HB LYS 10 1HB LYS 10 1.172 5.118 13.191 66 2HB LYS 10 2HB LYS 10 -0.444 4.881 12.521 67 1HG LYS 10 1HG LYS 10 0.160 2.333 12.675 68 2HG LYS 10 2HG LYS 10 1.357 2.879 13.851 69 1HD LYS 10 1HD LYS 10 -0.289 3.741 15.306 70 2HD LYS 10 2HD LYS 10 -1.520 3.760 14.043 71 1HE LYS 10 1HE LYS 10 -1.354 1.223 13.979 72 2HE LYS 10 2HE LYS 10 -0.358 1.333 15.444 73 1HZ LYS 10 1HZ LYS 10 -2.974 2.699 15.200 74 2HZ LYS 10 2HZ LYS 10 -2.073 2.403 16.610 75 3HZ LYS 10 3HZ LYS 10 -2.841 1.120 15.803 76 H MET 11 H MET 11 0.191 3.422 9.054 77 HA MET 11 HA MET 11 -0.356 6.088 7.926 78 1HB MET 11 1HB MET 11 -0.399 3.213 7.085 79 2HB MET 11 2HB MET 11 -1.384 4.347 6.160 80 1HG MET 11 1HG MET 11 0.526 5.691 5.621 81 2HG MET 11 2HG MET 11 1.538 4.820 6.774 82 1HE MET 11 1HE MET 11 0.751 5.337 3.261 83 2HE MET 11 2HE MET 11 -0.729 4.459 3.638 84 3HE MET 11 3HE MET 11 0.437 3.765 2.514 85 H ASP 12 H ASP 12 -2.109 7.020 9.038 86 HA ASP 12 HA ASP 12 -4.565 5.319 9.338 87 1HB ASP 12 1HB ASP 12 -5.065 7.235 11.030 88 2HB ASP 12 2HB ASP 12 -3.847 6.039 11.453 89 H LYS 13 H LYS 13 -3.486 7.223 7.077 90 HA LYS 13 HA LYS 13 -5.089 9.495 6.771 91 1HB LYS 13 1HB LYS 13 -3.911 7.419 4.950 92 2HB LYS 13 2HB LYS 13 -4.902 8.707 4.267 93 1HG LYS 13 1HG LYS 13 -2.443 9.070 6.006 94 2HG LYS 13 2HG LYS 13 -2.548 9.394 4.273 95 1HD LYS 13 1HD LYS 13 -4.504 10.984 4.909 96 2HD LYS 13 2HD LYS 13 -3.853 10.885 6.545 97 1HE LYS 13 1HE LYS 13 -1.674 11.333 4.717 98 2HE LYS 13 2HE LYS 13 -2.935 12.552 4.436 99 1HZ LYS 13 1HZ LYS 13 -3.066 12.697 6.950 100 2HZ LYS 13 2HZ LYS 13 -1.691 13.382 6.225 101 3HZ LYS 13 3HZ LYS 13 -1.590 11.865 6.983 102 H THR 14 H THR 14 -5.988 6.114 6.502 103 HA THR 14 HA THR 14 -8.774 6.935 5.725 104 HB THR 14 HB THR 14 -8.872 4.548 4.874 105 HG1 THR 14 1HG THR 14 -7.208 3.682 6.084 106 1HG2 THR 14 1HG2 THR 14 -6.544 5.895 3.563 107 2HG2 THR 14 2HG2 THR 14 -8.097 6.729 3.590 108 3HG2 THR 14 3HG2 THR 14 -7.962 5.143 2.831 109 H LYS 15 H LYS 15 -10.211 4.769 6.417 110 HA LYS 15 HA LYS 15 -10.315 4.873 9.323 111 1HB LYS 15 1HB LYS 15 -11.814 3.727 7.034 112 2HB LYS 15 2HB LYS 15 -11.989 2.860 8.560 113 1HG LYS 15 1HG LYS 15 -13.512 4.412 9.156 114 2HG LYS 15 2HG LYS 15 -12.179 5.563 9.262 115 1HD LYS 15 1HD LYS 15 -14.032 6.342 7.767 116 2HD LYS 15 2HD LYS 15 -12.482 6.204 6.936 117 1HE LYS 15 1HE LYS 15 -13.555 4.892 5.420 118 2HE LYS 15 2HE LYS 15 -13.646 3.657 6.691 119 1HZ LYS 15 1HZ LYS 15 -15.833 4.534 5.678 120 2HZ LYS 15 2HZ LYS 15 -15.559 5.902 6.650 121 3HZ LYS 15 3HZ LYS 15 -15.726 4.368 7.363 122 H GLN 16 H GLN 16 -8.878 2.777 6.940 123 HA GLN 16 HA GLN 16 -8.287 0.696 9.002 124 1HB GLN 16 1HB GLN 16 -8.536 0.858 6.031 125 2HB GLN 16 2HB GLN 16 -7.380 -0.312 6.670 126 1HG GLN 16 1HG GLN 16 -9.012 -1.649 7.523 127 2HG GLN 16 2HG GLN 16 -9.993 -0.280 8.046 128 1HE2 GLN 16 2HE2 GLN 16 -10.758 1.066 5.887 129 2HE2 GLN 16 1HE2 GLN 16 -11.479 0.080 4.708 130 HA PRO 17 HA PRO 17 -4.469 3.252 8.768 131 1HB PRO 17 1HB PRO 17 -3.770 2.815 11.388 132 2HB PRO 17 2HB PRO 17 -4.871 4.110 10.873 133 1HG PRO 17 1HG PRO 17 -5.514 1.415 11.986 134 2HG PRO 17 2HG PRO 17 -6.241 2.988 12.355 135 1HD PRO 17 1HD PRO 17 -7.434 1.218 10.713 136 2HD PRO 17 2HD PRO 17 -7.562 2.974 10.459 137 H VAL 18 H VAL 18 -2.474 2.404 8.252 138 HA VAL 18 HA VAL 18 -1.919 -0.440 9.012 139 HB VAL 18 HB VAL 18 -1.615 1.120 6.443 140 1HG1 VAL 18 1HG1 VAL 18 -0.311 -0.727 5.541 141 2HG1 VAL 18 2HG1 VAL 18 -0.405 -1.583 7.080 142 3HG1 VAL 18 3HG1 VAL 18 0.506 -0.078 6.962 143 1HG2 VAL 18 1HG2 VAL 18 -3.628 0.047 6.232 144 2HG2 VAL 18 2HG2 VAL 18 -3.228 -1.154 7.459 145 3HG2 VAL 18 3HG2 VAL 18 -2.609 -1.331 5.818 146 H VAL 19 H VAL 19 0.111 -0.763 9.914 147 HA VAL 19 HA VAL 19 1.821 1.589 10.385 148 HB VAL 19 HB VAL 19 1.745 -1.304 11.248 149 1HG1 VAL 19 1HG1 VAL 19 3.674 -0.172 12.828 150 2HG1 VAL 19 2HG1 VAL 19 4.023 0.577 11.270 151 3HG1 VAL 19 3HG1 VAL 19 4.013 -1.180 11.421 152 1HG2 VAL 19 1HG2 VAL 19 0.251 0.509 12.254 153 2HG2 VAL 19 2HG2 VAL 19 1.726 1.239 12.890 154 3HG2 VAL 19 3HG2 VAL 19 1.252 -0.381 13.402 155 H PHE 20 H PHE 20 3.469 2.109 8.964 156 HA PHE 20 HA PHE 20 4.441 -0.001 7.092 157 1HB PHE 20 1HB PHE 20 3.654 2.114 6.128 158 2HB PHE 20 2HB PHE 20 4.763 3.022 7.149 159 HD1 PHE 20 HD1 PHE 20 4.855 0.103 4.799 160 HD2 PHE 20 HD2 PHE 20 6.803 3.666 6.186 161 HE1 PHE 20 HE1 PHE 20 6.654 -0.224 3.125 162 HE2 PHE 20 HE2 PHE 20 8.593 3.340 4.511 163 HZ PHE 20 HZ PHE 20 8.524 1.396 2.981 164 H ASN 21 H ASN 21 6.321 -1.017 7.664 165 HA ASN 21 HA ASN 21 8.129 0.270 9.629 166 1HB ASN 21 1HB ASN 21 7.192 -2.359 8.922 167 2HB ASN 21 2HB ASN 21 8.947 -2.318 8.836 168 1HD2 ASN 21 2HD2 ASN 21 8.786 -3.780 10.826 169 2HD2 ASN 21 1HD2 ASN 21 8.599 -3.044 12.343 170 H HIS 22 H HIS 22 9.343 1.757 8.343 171 HA HIS 22 HA HIS 22 10.312 1.452 5.737 172 1HB HIS 22 1HB HIS 22 11.235 2.799 8.247 173 2HB HIS 22 2HB HIS 22 12.335 2.778 6.871 174 HD1 HIS 22 HD1 HIS 22 9.538 4.618 8.243 175 HD2 HIS 22 HD2 HIS 22 10.947 3.855 4.391 176 HE1 HIS 22 HE1 HIS 22 8.562 6.415 6.756 177 H SER 23 H SER 23 11.548 0.048 8.746 178 HA SER 23 HA SER 23 14.071 -0.893 7.996 179 1HB SER 23 1HB SER 23 13.601 -1.466 10.158 180 2HB SER 23 2HB SER 23 11.882 -1.658 9.827 181 HG SER 23 HG SER 23 12.730 -3.671 10.259 182 H THR 24 H THR 24 10.888 -2.343 7.298 183 HA THR 24 HA THR 24 12.020 -4.603 5.834 184 HB THR 24 HB THR 24 9.251 -3.977 5.252 185 HG1 THR 24 1HG THR 24 8.562 -3.351 7.130 186 1HG2 THR 24 1HG2 THR 24 10.858 -6.178 5.891 187 2HG2 THR 24 2HG2 THR 24 9.122 -6.201 5.580 188 3HG2 THR 24 3HG2 THR 24 9.721 -6.050 7.232 189 H HIS 25 H HIS 25 11.808 -1.357 5.120 190 HA HIS 25 HA HIS 25 11.570 -1.896 2.192 191 1HB HIS 25 1HB HIS 25 10.736 0.493 3.863 192 2HB HIS 25 2HB HIS 25 10.529 0.341 2.121 193 HD1 HIS 25 HD1 HIS 25 9.262 -1.011 5.379 194 HD2 HIS 25 HD2 HIS 25 8.498 -1.494 1.310 195 HE1 HIS 25 HE1 HIS 25 7.143 -2.383 5.207 196 H LYS 26 H LYS 26 13.662 -0.935 4.660 197 HA LYS 26 HA LYS 26 15.126 1.231 3.564 198 1HB LYS 26 1HB LYS 26 16.059 -1.212 5.112 199 2HB LYS 26 2HB LYS 26 16.969 0.291 4.951 200 1HG LYS 26 1HG LYS 26 14.882 1.451 5.916 201 2HG LYS 26 2HG LYS 26 14.352 -0.164 6.383 202 1HD LYS 26 1HD LYS 26 15.548 0.250 8.277 203 2HD LYS 26 2HD LYS 26 16.929 -0.197 7.275 204 1HE LYS 26 1HE LYS 26 17.408 1.946 8.355 205 2HE LYS 26 2HE LYS 26 17.144 2.242 6.625 206 1HZ LYS 26 1HZ LYS 26 15.833 3.633 8.358 207 2HZ LYS 26 2HZ LYS 26 14.856 2.247 8.479 208 3HZ LYS 26 3HZ LYS 26 15.029 3.041 6.987 209 H ALA 27 H ALA 27 15.085 -2.188 2.745 210 HA ALA 27 HA ALA 27 17.427 -2.007 0.972 211 1HB ALA 27 1HB ALA 27 16.706 -4.396 0.507 212 2HB ALA 27 2HB ALA 27 15.355 -4.129 1.609 213 3HB ALA 27 3HB ALA 27 17.011 -4.044 2.209 214 H VAL 28 H VAL 28 14.159 -1.175 0.756 215 HA VAL 28 HA VAL 28 13.719 -1.912 -2.047 216 HB VAL 28 HB VAL 28 12.309 -0.202 0.011 217 1HG1 VAL 28 1HG1 VAL 28 11.482 -0.824 -2.833 218 2HG1 VAL 28 2HG1 VAL 28 11.817 0.771 -2.157 219 3HG1 VAL 28 3HG1 VAL 28 10.412 -0.140 -1.609 220 1HG2 VAL 28 1HG2 VAL 28 11.067 -2.578 -1.261 221 2HG2 VAL 28 2HG2 VAL 28 11.014 -2.048 0.420 222 3HG2 VAL 28 3HG2 VAL 28 12.433 -2.899 -0.191 223 H LYS 29 H LYS 29 12.988 0.097 -3.495 224 HA LYS 29 HA LYS 29 15.319 1.910 -3.527 225 1HB LYS 29 1HB LYS 29 13.426 0.790 -5.392 226 2HB LYS 29 2HB LYS 29 13.484 2.547 -5.555 227 1HG LYS 29 1HG LYS 29 15.273 2.034 -6.900 228 2HG LYS 29 2HG LYS 29 16.109 2.085 -5.346 229 1HD LYS 29 1HD LYS 29 15.134 -0.502 -5.426 230 2HD LYS 29 2HD LYS 29 15.584 -0.205 -7.105 231 1HE LYS 29 1HE LYS 29 17.787 0.790 -6.028 232 2HE LYS 29 2HE LYS 29 17.330 -0.247 -4.662 233 1HZ LYS 29 1HZ LYS 29 18.584 -1.595 -6.129 234 2HZ LYS 29 2HZ LYS 29 17.728 -1.047 -7.491 235 3HZ LYS 29 3HZ LYS 29 16.963 -2.045 -6.349 236 H CYS 30 H CYS 30 15.074 3.513 -2.076 237 HA CYS 30 HA CYS 30 12.793 4.694 -0.998 238 1HB CYS 30 1HB CYS 30 15.539 5.692 -1.724 239 2HB CYS 30 2HB CYS 30 14.364 6.810 -1.035 240 H GLY 31 H GLY 31 14.056 4.981 -4.229 241 1HA GLY 31 1HA GLY 31 12.346 7.299 -4.875 242 2HA GLY 31 2HA GLY 31 13.464 6.499 -5.982 243 H ASP 32 H ASP 32 12.064 3.895 -4.794 244 HA ASP 32 HA ASP 32 10.181 3.656 -7.025 245 1HB ASP 32 1HB ASP 32 11.756 1.987 -5.428 246 2HB ASP 32 2HB ASP 32 10.107 1.580 -4.971 247 H CYS 33 H CYS 33 10.066 4.161 -3.541 248 HA CYS 33 HA CYS 33 7.095 4.049 -3.506 249 1HB CYS 33 1HB CYS 33 9.330 4.331 -1.483 250 2HB CYS 33 2HB CYS 33 7.656 4.626 -1.025 251 H HIS 34 H HIS 34 9.695 6.335 -2.561 252 HA HIS 34 HA HIS 34 7.829 8.629 -2.732 253 1HB HIS 34 1HB HIS 34 10.737 8.241 -1.958 254 2HB HIS 34 2HB HIS 34 9.955 9.816 -1.978 255 HD1 HIS 34 HD1 HIS 34 7.519 9.748 -0.519 256 HD2 HIS 34 HD2 HIS 34 10.531 7.057 0.510 257 HE1 HIS 34 HE1 HIS 34 7.047 9.011 1.858 258 H HIS 35 H HIS 35 8.433 7.189 -5.198 259 HA HIS 35 HA HIS 35 10.378 7.904 -6.923 260 1HB HIS 35 1HB HIS 35 8.524 8.139 -8.634 261 2HB HIS 35 2HB HIS 35 8.394 6.721 -7.608 262 HD1 HIS 35 HD1 HIS 35 7.037 10.183 -7.958 263 HD2 HIS 35 HD2 HIS 35 6.083 6.637 -6.020 264 HE1 HIS 35 HE1 HIS 35 4.738 10.527 -6.963 265 HA PRO 36 HA PRO 36 10.797 12.239 -7.350 266 1HB PRO 36 1HB PRO 36 11.039 12.561 -10.066 267 2HB PRO 36 2HB PRO 36 12.327 11.884 -9.049 268 1HG PRO 36 1HG PRO 36 10.320 10.472 -10.746 269 2HG PRO 36 2HG PRO 36 12.049 10.144 -10.537 270 1HD PRO 36 1HD PRO 36 10.151 8.693 -9.287 271 2HD PRO 36 2HD PRO 36 11.733 9.021 -8.545 272 H VAL 37 H VAL 37 9.117 13.645 -7.043 273 HA VAL 37 HA VAL 37 6.702 13.385 -8.790 274 HB VAL 37 HB VAL 37 7.255 14.241 -5.958 275 1HG1 VAL 37 1HG1 VAL 37 5.900 16.063 -6.668 276 2HG1 VAL 37 2HG1 VAL 37 4.775 14.926 -5.925 277 3HG1 VAL 37 3HG1 VAL 37 4.898 15.024 -7.682 278 1HG2 VAL 37 1HG2 VAL 37 6.620 11.870 -6.697 279 2HG2 VAL 37 2HG2 VAL 37 5.032 12.530 -7.091 280 3HG2 VAL 37 3HG2 VAL 37 5.622 12.583 -5.430 281 H ASN 38 H ASN 38 9.335 14.944 -9.150 282 HA ASN 38 HA ASN 38 8.330 17.195 -10.572 283 1HB ASN 38 1HB ASN 38 7.792 17.696 -8.070 284 2HB ASN 38 2HB ASN 38 9.506 17.975 -7.901 285 1HD2 ASN 38 2HD2 ASN 38 6.897 19.798 -8.129 286 2HD2 ASN 38 1HD2 ASN 38 7.435 21.040 -9.155 287 H GLY 39 H GLY 39 10.941 17.508 -8.260 288 1HA GLY 39 1HA GLY 39 12.935 16.905 -10.389 289 2HA GLY 39 2HA GLY 39 13.089 18.362 -9.398 290 H LYS 40 H LYS 40 11.666 16.084 -7.469 291 HA LYS 40 HA LYS 40 14.085 14.594 -6.694 292 1HB LYS 40 1HB LYS 40 14.048 15.695 -4.400 293 2HB LYS 40 2HB LYS 40 14.585 16.742 -5.716 294 1HG LYS 40 1HG LYS 40 12.444 17.824 -5.841 295 2HG LYS 40 2HG LYS 40 11.715 16.638 -4.758 296 1HD LYS 40 1HD LYS 40 13.897 17.629 -3.321 297 2HD LYS 40 2HD LYS 40 13.207 19.051 -4.104 298 1HE LYS 40 1HE LYS 40 11.226 18.906 -2.927 299 2HE LYS 40 2HE LYS 40 11.296 17.136 -2.831 300 1HZ LYS 40 1HZ LYS 40 11.849 18.474 -0.727 301 2HZ LYS 40 2HZ LYS 40 13.328 18.808 -1.493 302 3HZ LYS 40 3HZ LYS 40 12.885 17.201 -1.160 303 H GLU 41 H GLU 41 13.367 12.658 -5.873 304 HA GLU 41 HA GLU 41 10.706 11.842 -5.643 305 1HB GLU 41 1HB GLU 41 13.317 11.037 -4.437 306 2HB GLU 41 2HB GLU 41 11.854 10.269 -3.829 307 1HG GLU 41 1HG GLU 41 11.508 9.107 -5.761 308 2HG GLU 41 2HG GLU 41 12.043 10.448 -6.775 309 H ASP 42 H ASP 42 9.132 12.796 -4.398 310 HA ASP 42 HA ASP 42 9.633 14.410 -2.095 311 1HB ASP 42 1HB ASP 42 7.233 12.910 -3.151 312 2HB ASP 42 2HB ASP 42 7.143 13.961 -1.738 313 H TYR 43 H TYR 43 10.738 13.478 -0.400 314 HA TYR 43 HA TYR 43 10.204 10.695 0.408 315 1HB TYR 43 1HB TYR 43 12.020 12.889 1.461 316 2HB TYR 43 2HB TYR 43 12.048 11.216 2.017 317 HD1 TYR 43 HD1 TYR 43 12.464 9.370 0.277 318 HD2 TYR 43 HD2 TYR 43 13.199 13.534 -0.482 319 HE1 TYR 43 HE1 TYR 43 13.937 8.764 -1.622 320 HE2 TYR 43 HE2 TYR 43 14.673 12.927 -2.382 321 HH TYR 43 HH TYR 43 15.056 9.548 -3.402 322 H GLN 44 H GLN 44 7.850 12.077 0.750 323 HA GLN 44 HA GLN 44 7.723 12.473 3.723 324 1HB GLN 44 1HB GLN 44 5.894 14.153 3.106 325 2HB GLN 44 2HB GLN 44 7.537 14.621 2.668 326 1HG GLN 44 1HG GLN 44 7.191 13.921 0.376 327 2HG GLN 44 2HG GLN 44 5.616 13.236 0.776 328 1HE2 GLN 44 2HE2 GLN 44 7.162 16.412 1.547 329 2HE2 GLN 44 1HE2 GLN 44 5.871 17.345 0.960 330 H LYS 45 H LYS 45 5.312 12.286 4.436 331 HA LYS 45 HA LYS 45 4.330 9.737 4.230 332 1HB LYS 45 1HB LYS 45 2.070 10.846 4.633 333 2HB LYS 45 2HB LYS 45 3.361 11.328 5.728 334 1HG LYS 45 1HG LYS 45 3.805 13.257 4.080 335 2HG LYS 45 2HG LYS 45 2.234 12.860 3.386 336 1HD LYS 45 1HD LYS 45 1.945 14.609 5.060 337 2HD LYS 45 2HD LYS 45 1.214 13.116 5.651 338 1HE LYS 45 1HE LYS 45 2.849 12.795 7.270 339 2HE LYS 45 2HE LYS 45 4.087 13.660 6.335 340 1HZ LYS 45 1HZ LYS 45 2.328 15.596 6.628 341 2HZ LYS 45 2HZ LYS 45 3.542 15.305 7.782 342 3HZ LYS 45 3HZ LYS 45 1.965 14.726 8.039 343 H CYS 46 H CYS 46 3.241 8.524 2.744 344 HA CYS 46 HA CYS 46 3.222 9.108 -0.015 345 1HB CYS 46 1HB CYS 46 1.496 7.303 1.699 346 2HB CYS 46 2HB CYS 46 1.626 7.175 -0.051 347 H ALA 47 H ALA 47 0.727 9.593 2.447 348 HA ALA 47 HA ALA 47 -1.030 10.900 0.404 349 1HB ALA 47 1HB ALA 47 -1.362 9.259 2.829 350 2HB ALA 47 2HB ALA 47 -2.399 9.386 1.410 351 3HB ALA 47 3HB ALA 47 -2.502 10.596 2.687 352 H THR 48 H THR 48 1.031 12.532 1.163 353 HA THR 48 HA THR 48 0.873 14.087 3.467 354 HB THR 48 HB THR 48 1.297 15.385 0.801 355 HG1 THR 48 1HG THR 48 3.307 14.284 0.694 356 1HG2 THR 48 1HG2 THR 48 1.975 15.895 3.505 357 2HG2 THR 48 2HG2 THR 48 2.457 16.819 2.083 358 3HG2 THR 48 3HG2 THR 48 3.480 15.507 2.671 359 H ALA 49 H ALA 49 0.252 16.678 2.910 360 HA ALA 49 HA ALA 49 -2.639 16.740 3.115 361 1HB ALA 49 1HB ALA 49 -0.565 18.294 3.918 362 2HB ALA 49 2HB ALA 49 -2.224 18.886 3.820 363 3HB ALA 49 3HB ALA 49 -1.094 19.204 2.503 364 H GLY 50 H GLY 50 -0.581 16.556 0.439 365 1HA GLY 50 1HA GLY 50 -2.806 17.283 -1.376 366 2HA GLY 50 2HA GLY 50 -1.281 18.151 -1.596 367 H CYS 51 H CYS 51 -1.159 14.943 -0.401 368 HA CYS 51 HA CYS 51 0.066 14.009 -2.944 369 1HB CYS 51 1HB CYS 51 0.513 13.902 -0.077 370 2HB CYS 51 2HB CYS 51 0.589 12.311 -0.763 371 H HIS 52 H HIS 52 -0.408 11.227 -1.437 372 HA HIS 52 HA HIS 52 -2.832 10.557 -2.933 373 1HB HIS 52 1HB HIS 52 -1.027 9.073 -1.009 374 2HB HIS 52 2HB HIS 52 -2.368 8.317 -1.844 375 HD1 HIS 52 HD1 HIS 52 -2.244 8.706 -4.550 376 HD2 HIS 52 HD2 HIS 52 1.326 8.895 -2.440 377 HE1 HIS 52 HE1 HIS 52 -0.397 8.346 -6.252 378 H ASP 53 H ASP 53 -3.529 12.544 -1.110 379 HA ASP 53 HA ASP 53 -4.596 11.253 1.325 380 1HB ASP 53 1HB ASP 53 -5.085 13.553 1.958 381 2HB ASP 53 2HB ASP 53 -3.461 13.489 1.273 382 H ASN 54 H ASN 54 -5.727 10.826 -1.575 383 HA ASN 54 HA ASN 54 -8.409 12.003 -1.396 384 1HB ASN 54 1HB ASN 54 -6.733 10.803 -3.333 385 2HB ASN 54 2HB ASN 54 -8.153 9.773 -3.221 386 1HD2 ASN 54 2HD2 ASN 54 -9.735 10.415 -4.666 387 2HD2 ASN 54 1HD2 ASN 54 -10.059 12.018 -5.119 388 H MET 55 H MET 55 -9.457 11.207 0.452 389 HA MET 55 HA MET 55 -9.349 8.388 1.205 390 1HB MET 55 1HB MET 55 -11.135 10.673 2.103 391 2HB MET 55 2HB MET 55 -10.868 9.164 2.971 392 1HG MET 55 1HG MET 55 -8.775 11.264 2.344 393 2HG MET 55 2HG MET 55 -9.452 10.905 3.932 394 1HE MET 55 1HE MET 55 -5.627 9.635 2.771 395 2HE MET 55 2HE MET 55 -6.596 11.103 2.678 396 3HE MET 55 3HE MET 55 -6.633 9.946 1.350 397 H ASP 56 H ASP 56 -10.613 9.407 -1.481 398 HA ASP 56 HA ASP 56 -13.425 8.638 -1.241 399 1HB ASP 56 1HB ASP 56 -11.844 10.113 -2.973 400 2HB ASP 56 2HB ASP 56 -12.166 8.647 -3.899 401 H LYS 57 H LYS 57 -10.424 7.014 -1.629 402 HA LYS 57 HA LYS 57 -9.897 4.754 -2.069 403 1HB LYS 57 1HB LYS 57 -12.818 4.430 -1.333 404 2HB LYS 57 2HB LYS 57 -11.553 3.214 -1.172 405 1HG LYS 57 1HG LYS 57 -10.559 4.296 0.636 406 2HG LYS 57 2HG LYS 57 -11.223 5.868 0.188 407 1HD LYS 57 1HD LYS 57 -13.482 4.302 0.618 408 2HD LYS 57 2HD LYS 57 -12.373 3.792 1.891 409 1HE LYS 57 1HE LYS 57 -11.985 6.360 2.248 410 2HE LYS 57 2HE LYS 57 -13.528 6.527 1.385 411 1HZ LYS 57 1HZ LYS 57 -13.606 6.166 3.911 412 2HZ LYS 57 2HZ LYS 57 -13.207 4.552 3.556 413 3HZ LYS 57 3HZ LYS 57 -14.638 5.231 2.941 414 H LYS 58 H LYS 58 -11.423 6.549 -4.159 415 HA LYS 58 HA LYS 58 -12.035 4.284 -6.026 416 1HB LYS 58 1HB LYS 58 -13.510 6.920 -5.721 417 2HB LYS 58 2HB LYS 58 -13.933 5.621 -6.837 418 1HG LYS 58 1HG LYS 58 -13.722 4.388 -4.319 419 2HG LYS 58 2HG LYS 58 -14.589 5.895 -4.026 420 1HD LYS 58 1HD LYS 58 -15.985 5.233 -6.121 421 2HD LYS 58 2HD LYS 58 -15.343 3.614 -5.841 422 1HE LYS 58 1HE LYS 58 -16.342 4.889 -3.386 423 2HE LYS 58 2HE LYS 58 -17.599 4.631 -4.614 424 1HZ LYS 58 1HZ LYS 58 -15.839 2.661 -3.317 425 2HZ LYS 58 2HZ LYS 58 -16.396 2.363 -4.894 426 3HZ LYS 58 3HZ LYS 58 -17.504 2.570 -3.623 427 H ASP 59 H ASP 59 -10.392 7.260 -5.452 428 HA ASP 59 HA ASP 59 -10.159 8.285 -8.112 429 1HB ASP 59 1HB ASP 59 -9.518 9.690 -6.334 430 2HB ASP 59 2HB ASP 59 -8.559 8.427 -5.562 431 H LYS 60 H LYS 60 -9.487 6.917 -9.754 432 HA LYS 60 HA LYS 60 -7.351 4.929 -9.266 433 1HB LYS 60 1HB LYS 60 -9.522 5.456 -11.161 434 2HB LYS 60 2HB LYS 60 -8.036 4.952 -11.967 435 1HG LYS 60 1HG LYS 60 -8.930 3.447 -9.535 436 2HG LYS 60 2HG LYS 60 -9.749 3.144 -11.067 437 1HD LYS 60 1HD LYS 60 -7.141 3.105 -11.867 438 2HD LYS 60 2HD LYS 60 -7.000 2.453 -10.234 439 1HE LYS 60 1HE LYS 60 -7.531 0.472 -11.271 440 2HE LYS 60 2HE LYS 60 -9.193 1.086 -11.148 441 1HZ LYS 60 1HZ LYS 60 -7.360 1.146 -13.447 442 2HZ LYS 60 2HZ LYS 60 -8.518 2.378 -13.284 443 3HZ LYS 60 3HZ LYS 60 -9.009 0.756 -13.402 444 H SER 61 H SER 61 -6.820 7.919 -9.250 445 HA SER 61 HA SER 61 -5.034 8.162 -11.633 446 1HB SER 61 1HB SER 61 -6.873 9.854 -10.616 447 2HB SER 61 2HB SER 61 -5.470 10.382 -9.691 448 HG SER 61 HG SER 61 -5.345 11.526 -11.536 449 H ALA 62 H ALA 62 -3.306 10.108 -10.407 450 HA ALA 62 HA ALA 62 -1.625 8.281 -8.756 451 1HB ALA 62 1HB ALA 62 0.034 9.199 -9.983 452 2HB ALA 62 2HB ALA 62 -0.461 10.829 -9.525 453 3HB ALA 62 3HB ALA 62 -1.208 10.037 -10.912 454 H LYS 63 H LYS 63 -3.983 9.819 -7.663 455 HA LYS 63 HA LYS 63 -2.493 11.319 -5.536 456 1HB LYS 63 1HB LYS 63 -3.805 12.549 -7.545 457 2HB LYS 63 2HB LYS 63 -5.158 12.296 -6.441 458 1HG LYS 63 1HG LYS 63 -4.416 14.275 -5.555 459 2HG LYS 63 2HG LYS 63 -3.317 13.204 -4.685 460 1HD LYS 63 1HD LYS 63 -1.611 13.523 -6.436 461 2HD LYS 63 2HD LYS 63 -2.706 14.593 -7.312 462 1HE LYS 63 1HE LYS 63 -2.352 15.338 -4.481 463 2HE LYS 63 2HE LYS 63 -0.872 15.460 -5.453 464 1HZ LYS 63 1HZ LYS 63 -3.411 16.875 -5.754 465 2HZ LYS 63 2HZ LYS 63 -2.603 16.429 -7.180 466 3HZ LYS 63 3HZ LYS 63 -1.831 17.420 -6.038 467 H GLY 64 H GLY 64 -4.542 8.797 -6.221 468 1HA GLY 64 1HA GLY 64 -6.209 9.177 -3.790 469 2HA GLY 64 2HA GLY 64 -6.502 7.978 -5.042 470 H TYR 65 H TYR 65 -5.713 8.129 -1.944 471 HA TYR 65 HA TYR 65 -3.356 6.662 -1.489 472 1HB TYR 65 1HB TYR 65 -5.497 7.648 -0.065 473 2HB TYR 65 2HB TYR 65 -5.725 5.910 0.109 474 HD1 TYR 65 HD1 TYR 65 -5.108 5.616 2.397 475 HD2 TYR 65 HD2 TYR 65 -2.475 7.673 -0.295 476 HE1 TYR 65 HE1 TYR 65 -3.314 5.566 4.106 477 HE2 TYR 65 HE2 TYR 65 -0.683 7.622 1.410 478 HH TYR 65 HH TYR 65 -1.230 6.121 4.602 479 H TYR 66 H TYR 66 -6.637 5.242 -1.546 480 HA TYR 66 HA TYR 66 -6.160 2.565 -1.601 481 1HB TYR 66 1HB TYR 66 -8.260 4.133 -1.987 482 2HB TYR 66 2HB TYR 66 -7.985 3.710 -3.677 483 HD1 TYR 66 HD1 TYR 66 -8.175 1.386 -4.445 484 HD2 TYR 66 HD2 TYR 66 -8.919 2.482 -0.366 485 HE1 TYR 66 HE1 TYR 66 -9.260 -0.811 -4.060 486 HE2 TYR 66 HE2 TYR 66 -10.009 0.283 0.022 487 HH TYR 66 HH TYR 66 -10.231 -2.145 -2.580 488 H HIS 67 H HIS 67 -6.588 4.235 -4.730 489 HA HIS 67 HA HIS 67 -5.753 2.328 -6.487 490 1HB HIS 67 1HB HIS 67 -6.449 4.526 -7.191 491 2HB HIS 67 2HB HIS 67 -5.047 5.269 -6.416 492 HD1 HIS 67 HD1 HIS 67 -5.642 2.533 -9.001 493 HD2 HIS 67 HD2 HIS 67 -2.991 5.650 -8.222 494 HE1 HIS 67 HE1 HIS 67 -3.925 2.483 -10.852 495 H ALA 68 H ALA 68 -3.298 4.775 -5.791 496 HA ALA 68 HA ALA 68 -1.047 3.328 -6.517 497 1HB ALA 68 1HB ALA 68 -1.697 5.567 -4.678 498 2HB ALA 68 2HB ALA 68 -0.562 5.514 -6.026 499 3HB ALA 68 3HB ALA 68 -0.105 4.838 -4.462 500 H MET 69 H MET 69 -2.949 2.887 -3.592 501 HA MET 69 HA MET 69 -0.809 1.359 -2.256 502 1HB MET 69 1HB MET 69 -3.675 2.041 -1.579 503 2HB MET 69 2HB MET 69 -2.563 1.223 -0.484 504 1HG MET 69 1HG MET 69 -1.384 3.619 -1.654 505 2HG MET 69 2HG MET 69 -2.853 3.978 -0.749 506 1HE MET 69 1HE MET 69 0.158 5.095 0.674 507 2HE MET 69 2HE MET 69 0.309 4.236 -0.855 508 3HE MET 69 3HE MET 69 1.184 3.658 0.560 509 H HIS 70 H HIS 70 -3.862 0.648 -3.954 510 HA HIS 70 HA HIS 70 -3.379 -2.246 -3.365 511 1HB HIS 70 1HB HIS 70 -5.875 -0.781 -4.277 512 2HB HIS 70 2HB HIS 70 -5.788 -2.470 -3.772 513 HD1 HIS 70 HD1 HIS 70 -5.803 1.017 -2.445 514 HD2 HIS 70 HD2 HIS 70 -5.386 -2.847 -0.950 515 HE1 HIS 70 HE1 HIS 70 -6.004 1.202 0.073 516 H ASP 71 H ASP 71 -3.185 0.075 -5.867 517 HA ASP 71 HA ASP 71 -3.811 -1.786 -8.061 518 1HB ASP 71 1HB ASP 71 -2.835 1.054 -7.765 519 2HB ASP 71 2HB ASP 71 -2.915 0.279 -9.346 520 H LYS 72 H LYS 72 -2.166 -2.317 -9.718 521 HA LYS 72 HA LYS 72 0.575 -2.575 -8.534 522 1HB LYS 72 1HB LYS 72 0.708 -4.657 -9.799 523 2HB LYS 72 2HB LYS 72 -0.788 -4.657 -8.865 524 1HG LYS 72 1HG LYS 72 -1.954 -3.744 -10.921 525 2HG LYS 72 2HG LYS 72 -0.465 -4.056 -11.814 526 1HD LYS 72 1HD LYS 72 -1.048 -6.406 -10.323 527 2HD LYS 72 2HD LYS 72 -2.545 -5.909 -11.115 528 1HE LYS 72 1HE LYS 72 -1.741 -6.817 -13.030 529 2HE LYS 72 2HE LYS 72 -0.492 -5.556 -13.038 530 1HZ LYS 72 1HZ LYS 72 0.891 -6.888 -11.638 531 2HZ LYS 72 2HZ LYS 72 0.424 -7.846 -12.962 532 3HZ LYS 72 3HZ LYS 72 -0.322 -8.060 -11.449 533 H GLY 73 H GLY 73 -1.194 -2.167 -11.605 534 1HA GLY 73 1HA GLY 73 1.214 -1.446 -13.079 535 2HA GLY 73 2HA GLY 73 -0.443 -1.303 -13.675 536 H THR 74 H THR 74 1.478 0.143 -11.031 537 HA THR 74 HA THR 74 0.197 2.773 -11.639 538 HB THR 74 HB THR 74 1.267 3.194 -9.292 539 HG1 THR 74 1HG THR 74 2.590 1.346 -9.357 540 1HG2 THR 74 1HG2 THR 74 -0.621 1.852 -8.216 541 2HG2 THR 74 2HG2 THR 74 -1.001 1.275 -9.839 542 3HG2 THR 74 3HG2 THR 74 -1.104 2.995 -9.469 543 H LYS 75 H LYS 75 1.609 4.695 -11.560 544 HA LYS 75 HA LYS 75 3.792 4.828 -13.208 545 1HB LYS 75 1HB LYS 75 2.501 6.547 -11.613 546 2HB LYS 75 2HB LYS 75 3.925 6.312 -10.605 547 1HG LYS 75 1HG LYS 75 4.216 8.226 -12.146 548 2HG LYS 75 2HG LYS 75 5.379 6.946 -12.483 549 1HD LYS 75 1HD LYS 75 3.125 6.300 -14.027 550 2HD LYS 75 2HD LYS 75 3.321 8.044 -14.207 551 1HE LYS 75 1HE LYS 75 5.674 7.741 -14.858 552 2HE LYS 75 2HE LYS 75 5.519 5.987 -14.637 553 1HZ LYS 75 1HZ LYS 75 5.007 7.225 -16.948 554 2HZ LYS 75 2HZ LYS 75 3.459 7.242 -16.250 555 3HZ LYS 75 3HZ LYS 75 4.272 5.769 -16.484 556 H PHE 76 H PHE 76 3.789 3.733 -9.847 557 HA PHE 76 HA PHE 76 6.561 2.663 -10.235 558 1HB PHE 76 1HB PHE 76 5.511 4.159 -7.814 559 2HB PHE 76 2HB PHE 76 7.137 3.520 -8.019 560 HD1 PHE 76 HD1 PHE 76 8.427 4.349 -10.162 561 HD2 PHE 76 HD2 PHE 76 5.018 6.330 -8.461 562 HE1 PHE 76 HE1 PHE 76 9.051 6.441 -11.342 563 HE2 PHE 76 HE2 PHE 76 5.642 8.419 -9.636 564 HZ PHE 76 HZ PHE 76 7.652 8.468 -11.073 565 H LYS 77 H LYS 77 7.059 1.098 -8.295 566 HA LYS 77 HA LYS 77 4.926 -0.844 -8.154 567 1HB LYS 77 1HB LYS 77 6.469 -1.948 -6.561 568 2HB LYS 77 2HB LYS 77 7.287 -1.461 -8.042 569 1HG LYS 77 1HG LYS 77 7.981 0.658 -6.832 570 2HG LYS 77 2HG LYS 77 7.367 -0.080 -5.353 571 1HD LYS 77 1HD LYS 77 9.822 -0.448 -5.663 572 2HD LYS 77 2HD LYS 77 8.909 -1.954 -5.601 573 1HE LYS 77 1HE LYS 77 8.984 -2.192 -8.008 574 2HE LYS 77 2HE LYS 77 9.696 -0.577 -8.190 575 1HZ LYS 77 1HZ LYS 77 11.657 -1.233 -7.163 576 2HZ LYS 77 2HZ LYS 77 11.274 -2.583 -8.120 577 3HZ LYS 77 3HZ LYS 77 10.956 -2.603 -6.451 578 H SER 78 H SER 78 3.176 -0.484 -7.030 579 HA SER 78 HA SER 78 2.943 1.457 -4.883 580 1HB SER 78 1HB SER 78 0.614 0.030 -4.946 581 2HB SER 78 2HB SER 78 0.991 1.351 -6.048 582 HG SER 78 HG SER 78 0.360 -0.820 -6.934 583 H CYS 79 H CYS 79 1.489 0.584 -2.926 584 HA CYS 79 HA CYS 79 3.136 -1.032 -1.252 585 1HB CYS 79 1HB CYS 79 0.202 -0.269 -1.181 586 2HB CYS 79 2HB CYS 79 1.058 -0.987 0.180 587 H VAL 80 H VAL 80 -0.168 -1.874 -2.317 588 HA VAL 80 HA VAL 80 0.215 -4.713 -1.907 589 HB VAL 80 HB VAL 80 -1.800 -2.969 -3.323 590 1HG1 VAL 80 1HG1 VAL 80 -1.396 -5.859 -3.533 591 2HG1 VAL 80 2HG1 VAL 80 -2.428 -4.798 -4.492 592 3HG1 VAL 80 3HG1 VAL 80 -3.006 -5.436 -2.953 593 1HG2 VAL 80 1HG2 VAL 80 -1.895 -2.821 -0.913 594 2HG2 VAL 80 2HG2 VAL 80 -1.779 -4.573 -0.748 595 3HG2 VAL 80 3HG2 VAL 80 -3.239 -3.847 -1.418 596 H GLY 81 H GLY 81 0.682 -2.518 -4.614 597 1HA GLY 81 1HA GLY 81 0.802 -4.497 -6.701 598 2HA GLY 81 2HA GLY 81 1.498 -2.877 -6.789 599 H CYS 82 H CYS 82 3.255 -3.037 -4.580 600 HA CYS 82 HA CYS 82 5.460 -4.562 -5.765 601 1HB CYS 82 1HB CYS 82 5.416 -2.269 -4.488 602 2HB CYS 82 2HB CYS 82 5.417 -3.268 -3.037 603 H HIS 83 H HIS 83 3.059 -4.962 -3.319 604 HA HIS 83 HA HIS 83 4.368 -7.041 -1.783 605 1HB HIS 83 1HB HIS 83 1.692 -5.740 -2.054 606 2HB HIS 83 2HB HIS 83 1.767 -7.266 -1.194 607 HD1 HIS 83 HD1 HIS 83 1.290 -5.972 1.072 608 HD2 HIS 83 HD2 HIS 83 4.842 -4.907 -0.834 609 HE1 HIS 83 HE1 HIS 83 2.663 -4.704 2.777 610 H LEU 84 H LEU 84 1.592 -7.158 -4.086 611 HA LEU 84 HA LEU 84 1.355 -9.939 -4.333 612 1HB LEU 84 1HB LEU 84 0.425 -7.569 -5.522 613 2HB LEU 84 2HB LEU 84 1.100 -8.508 -6.849 614 HG LEU 84 HG LEU 84 -0.671 -9.839 -4.832 615 1HD1 LEU 84 1HD1 LEU 84 -1.772 -7.721 -5.735 616 2HD1 LEU 84 2HD1 LEU 84 -2.648 -9.224 -6.031 617 3HD1 LEU 84 3HD1 LEU 84 -1.710 -8.478 -7.326 618 1HD2 LEU 84 1HD2 LEU 84 0.548 -11.207 -6.484 619 2HD2 LEU 84 2HD2 LEU 84 -0.147 -10.254 -7.794 620 3HD2 LEU 84 3HD2 LEU 84 -1.187 -11.268 -6.794 621 H GLU 85 H GLU 85 3.682 -7.715 -5.807 622 HA GLU 85 HA GLU 85 4.862 -9.753 -7.553 623 1HB GLU 85 1HB GLU 85 4.924 -6.898 -7.116 624 2HB GLU 85 2HB GLU 85 6.573 -7.520 -7.187 625 1HG GLU 85 1HG GLU 85 6.410 -7.692 -9.421 626 2HG GLU 85 2HG GLU 85 5.070 -8.823 -9.230 627 H THR 86 H THR 86 5.965 -7.942 -4.656 628 HA THR 86 HA THR 86 8.424 -9.295 -4.266 629 HB THR 86 HB THR 86 6.429 -7.834 -2.556 630 HG1 THR 86 1HG THR 86 9.190 -7.404 -2.958 631 1HG2 THR 86 1HG2 THR 86 7.825 -8.093 -0.584 632 2HG2 THR 86 2HG2 THR 86 8.974 -9.082 -1.485 633 3HG2 THR 86 3HG2 THR 86 7.354 -9.694 -1.154 634 H ALA 87 H ALA 87 5.192 -10.436 -3.914 635 HA ALA 87 HA ALA 87 5.902 -12.600 -2.034 636 1HB ALA 87 1HB ALA 87 3.470 -11.436 -3.317 637 2HB ALA 87 2HB ALA 87 3.742 -11.877 -1.631 638 3HB ALA 87 3HB ALA 87 3.382 -13.127 -2.821 639 H GLY 88 H GLY 88 5.144 -12.158 -5.460 640 1HA GLY 88 1HA GLY 88 5.426 -13.589 -7.295 641 2HA GLY 88 2HA GLY 88 6.658 -14.400 -6.328 642 H ALA 89 H ALA 89 6.172 -16.545 -6.459 643 HA ALA 89 HA ALA 89 3.349 -17.444 -6.380 644 1HB ALA 89 1HB ALA 89 4.231 -19.446 -7.235 645 2HB ALA 89 2HB ALA 89 5.805 -19.173 -6.487 646 3HB ALA 89 3HB ALA 89 5.325 -18.233 -7.899 647 H ASP 90 H ASP 90 4.044 -16.300 -3.953 648 HA ASP 90 HA ASP 90 4.451 -18.669 -2.169 649 1HB ASP 90 1HB ASP 90 6.301 -17.084 -2.126 650 2HB ASP 90 2HB ASP 90 5.192 -15.747 -1.843 651 H ALA 91 H ALA 91 2.098 -18.918 -2.347 652 HA ALA 91 HA ALA 91 0.012 -17.216 -1.867 653 1HB ALA 91 1HB ALA 91 0.517 -19.897 -0.535 654 2HB ALA 91 2HB ALA 91 -0.157 -19.657 -2.146 655 3HB ALA 91 3HB ALA 91 -1.066 -19.144 -0.725 656 H ALA 92 H ALA 92 2.479 -18.109 0.466 657 HA ALA 92 HA ALA 92 1.089 -17.050 2.801 658 1HB ALA 92 1HB ALA 92 3.886 -17.065 3.196 659 2HB ALA 92 2HB ALA 92 3.561 -18.400 2.090 660 3HB ALA 92 3HB ALA 92 2.753 -18.335 3.658 661 H LYS 93 H LYS 93 3.547 -15.919 0.528 662 HA LYS 93 HA LYS 93 3.873 -13.303 1.762 663 1HB LYS 93 1HB LYS 93 4.786 -14.855 -0.590 664 2HB LYS 93 2HB LYS 93 4.843 -13.106 -0.767 665 1HG LYS 93 1HG LYS 93 6.084 -13.002 1.420 666 2HG LYS 93 2HG LYS 93 6.146 -14.766 1.404 667 1HD LYS 93 1HD LYS 93 7.257 -14.613 -0.865 668 2HD LYS 93 2HD LYS 93 7.372 -12.871 -0.617 669 1HE LYS 93 1HE LYS 93 8.635 -13.301 1.510 670 2HE LYS 93 2HE LYS 93 8.629 -15.031 1.111 671 1HZ LYS 93 1HZ LYS 93 9.970 -12.813 -0.269 672 2HZ LYS 93 2HZ LYS 93 9.431 -14.134 -1.191 673 3HZ LYS 93 3HZ LYS 93 10.545 -14.373 0.069 674 H LYS 94 H LYS 94 1.762 -14.766 -0.618 675 HA LYS 94 HA LYS 94 0.853 -12.252 -1.805 676 1HB LYS 94 1HB LYS 94 0.484 -15.128 -2.086 677 2HB LYS 94 2HB LYS 94 -1.053 -14.273 -2.215 678 1HG LYS 94 1HG LYS 94 0.435 -12.645 -3.742 679 2HG LYS 94 2HG LYS 94 1.344 -14.137 -3.982 680 1HD LYS 94 1HD LYS 94 -1.414 -14.803 -4.164 681 2HD LYS 94 2HD LYS 94 -1.156 -13.370 -5.160 682 1HE LYS 94 1HE LYS 94 0.885 -14.604 -6.132 683 2HE LYS 94 2HE LYS 94 0.209 -16.062 -5.380 684 1HZ LYS 94 1HZ LYS 94 -1.949 -15.439 -6.452 685 2HZ LYS 94 2HZ LYS 94 -0.731 -15.913 -7.539 686 3HZ LYS 94 3HZ LYS 94 -1.106 -14.267 -7.343 687 H LYS 95 H LYS 95 0.462 -13.522 1.230 688 HA LYS 95 HA LYS 95 -2.294 -12.367 1.542 689 1HB LYS 95 1HB LYS 95 -2.653 -14.376 2.563 690 2HB LYS 95 2HB LYS 95 -0.944 -14.790 2.444 691 1HG LYS 95 1HG LYS 95 -0.443 -13.626 4.497 692 2HG LYS 95 2HG LYS 95 -2.069 -12.944 4.567 693 1HD LYS 95 1HD LYS 95 -2.927 -14.823 5.491 694 2HD LYS 95 2HD LYS 95 -2.073 -15.865 4.354 695 1HE LYS 95 1HE LYS 95 0.052 -15.250 5.758 696 2HE LYS 95 2HE LYS 95 -1.125 -14.798 7.007 697 1HZ LYS 95 1HZ LYS 95 -1.528 -17.314 5.561 698 2HZ LYS 95 2HZ LYS 95 -1.930 -16.912 7.162 699 3HZ LYS 95 3HZ LYS 95 -0.322 -17.274 6.752 700 H GLU 96 H GLU 96 0.801 -12.867 3.157 701 HA GLU 96 HA GLU 96 0.692 -10.896 5.154 702 1HB GLU 96 1HB GLU 96 2.541 -12.610 3.707 703 2HB GLU 96 2HB GLU 96 3.304 -11.098 4.160 704 1HG GLU 96 1HG GLU 96 2.219 -11.530 6.494 705 2HG GLU 96 2HG GLU 96 2.059 -13.191 5.916 706 H LEU 97 H LEU 97 1.802 -10.692 1.782 707 HA LEU 97 HA LEU 97 2.406 -7.824 1.970 708 1HB LEU 97 1HB LEU 97 2.327 -9.715 -0.386 709 2HB LEU 97 2HB LEU 97 3.192 -8.180 -0.289 710 HG LEU 97 HG LEU 97 3.765 -10.736 1.211 711 1HD1 LEU 97 1HD1 LEU 97 5.278 -8.906 -0.650 712 2HD1 LEU 97 2HD1 LEU 97 4.895 -10.613 -0.878 713 3HD1 LEU 97 3HD1 LEU 97 6.086 -10.130 0.329 714 1HD2 LEU 97 1HD2 LEU 97 4.475 -7.888 1.878 715 2HD2 LEU 97 2HD2 LEU 97 5.606 -9.186 2.265 716 3HD2 LEU 97 3HD2 LEU 97 3.985 -9.191 2.961 717 H THR 98 H THR 98 0.341 -9.668 -0.297 718 HA THR 98 HA THR 98 -1.261 -7.239 -0.764 719 HB THR 98 HB THR 98 -2.325 -8.775 -2.468 720 HG1 THR 98 1HG THR 98 -0.215 -10.531 -1.908 721 1HG2 THR 98 1HG2 THR 98 -0.658 -8.224 -3.914 722 2HG2 THR 98 2HG2 THR 98 0.569 -9.058 -2.958 723 3HG2 THR 98 3HG2 THR 98 0.059 -7.429 -2.514 724 H GLY 99 H GLY 99 -1.511 -10.139 1.125 725 1HA GLY 99 1HA GLY 99 -4.268 -10.578 1.232 726 2HA GLY 99 2HA GLY 99 -3.212 -10.757 2.635 727 H CYS 100 H CYS 100 -5.941 -9.281 1.794 728 HA CYS 100 HA CYS 100 -5.426 -6.582 2.784 729 1HB CYS 100 1HB CYS 100 -8.177 -7.604 2.850 730 2HB CYS 100 2HB CYS 100 -7.546 -6.185 2.056 731 H LYS 101 H LYS 101 -7.576 -9.146 3.996 732 HA LYS 101 HA LYS 101 -7.199 -8.043 6.730 733 1HB LYS 101 1HB LYS 101 -9.102 -10.172 5.699 734 2HB LYS 101 2HB LYS 101 -9.228 -9.290 7.221 735 1HG LYS 101 1HG LYS 101 -9.483 -7.171 5.963 736 2HG LYS 101 2HG LYS 101 -9.400 -8.073 4.448 737 1HD LYS 101 1HD LYS 101 -11.664 -8.171 4.635 738 2HD LYS 101 2HD LYS 101 -11.342 -9.460 5.796 739 1HE LYS 101 1HE LYS 101 -11.742 -8.086 7.638 740 2HE LYS 101 2HE LYS 101 -11.331 -6.606 6.750 741 1HZ LYS 101 1HZ LYS 101 -13.330 -6.589 5.653 742 2HZ LYS 101 2HZ LYS 101 -13.819 -7.236 7.147 743 3HZ LYS 101 3HZ LYS 101 -13.571 -8.260 5.814 744 H GLY 102 H GLY 102 -5.570 -8.995 7.895 745 1HA GLY 102 1HA GLY 102 -4.846 -10.995 9.129 746 2HA GLY 102 2HA GLY 102 -5.293 -11.962 7.723 747 H SER 103 H SER 103 -3.912 -9.321 6.402 748 HA SER 103 HA SER 103 -1.396 -10.723 5.858 749 1HB SER 103 1HB SER 103 -1.075 -8.787 4.352 750 2HB SER 103 2HB SER 103 -2.674 -9.487 4.151 751 HG SER 103 HG SER 103 -2.511 -7.113 4.407 752 H LYS 104 H LYS 104 0.171 -8.289 5.603 753 HA LYS 104 HA LYS 104 0.939 -7.901 8.464 754 1HB LYS 104 1HB LYS 104 2.260 -7.488 5.766 755 2HB LYS 104 2HB LYS 104 3.019 -7.028 7.289 756 1HG LYS 104 1HG LYS 104 1.957 -9.777 7.260 757 2HG LYS 104 2HG LYS 104 3.278 -9.499 6.123 758 1HD LYS 104 1HD LYS 104 4.530 -8.398 8.058 759 2HD LYS 104 2HD LYS 104 3.288 -9.069 9.116 760 1HE LYS 104 1HE LYS 104 3.828 -11.344 8.357 761 2HE LYS 104 2HE LYS 104 5.041 -10.693 7.237 762 1HZ LYS 104 1HZ LYS 104 5.203 -9.742 9.975 763 2HZ LYS 104 2HZ LYS 104 6.447 -10.173 8.901 764 3HZ LYS 104 3HZ LYS 104 5.601 -11.375 9.754 765 H CYS 105 H CYS 105 -0.197 -6.370 5.584 766 HA CYS 105 HA CYS 105 0.310 -3.625 6.393 767 1HB CYS 105 1HB CYS 105 -0.199 -5.085 4.097 768 2HB CYS 105 2HB CYS 105 -1.696 -4.216 4.343 769 H HIS 106 H HIS 106 -2.439 -5.869 6.556 770 HA HIS 106 HA HIS 106 -4.054 -3.707 7.873 771 1HB HIS 106 1HB HIS 106 -4.631 -6.023 6.073 772 2HB HIS 106 2HB HIS 106 -5.887 -5.524 7.205 773 HD1 HIS 106 HD1 HIS 106 -5.192 -2.450 7.114 774 HD2 HIS 106 HD2 HIS 106 -5.822 -4.870 3.759 775 HE1 HIS 106 HE1 HIS 106 -5.749 -0.888 5.206 776 H SER 107 H SER 107 -2.618 -4.464 9.813 777 HA SER 107 HA SER 107 -2.871 -7.022 11.012 778 1HB SER 107 1HB SER 107 -2.001 -4.321 11.674 779 2HB SER 107 2HB SER 107 -2.716 -5.126 13.068 780 HG SER 107 HG SER 107 -0.420 -5.722 11.616 781 HHA HEC 201 HHA HEC 201 6.003 8.725 5.675 782 HHB HEC 201 HHB HEC 201 12.073 9.849 4.734 783 HHC HEC 201 HHC HEC 201 12.515 4.702 1.088 784 HHD HEC 201 HHD HEC 201 6.403 3.611 1.891 785 1HMA HEC 201 1HMA HEC 201 9.855 10.995 7.777 786 2HMA HEC 201 2HMA HEC 201 10.109 12.064 6.397 787 3HMA HEC 201 3HMA HEC 201 11.317 10.842 6.798 788 1HAA HEC 201 1HAA HEC 201 6.464 9.873 7.178 789 2HAA HEC 201 2HAA HEC 201 7.785 10.834 7.836 790 1HBA HEC 201 1HBA HEC 201 6.792 11.653 5.167 791 2HBA HEC 201 2HBA HEC 201 5.688 11.919 6.517 792 1HMB HEC 201 1HMB HEC 201 14.784 9.348 2.734 793 2HMB HEC 201 2HMB HEC 201 15.169 8.387 4.162 794 3HMB HEC 201 3HMB HEC 201 13.998 9.701 4.273 795 HAB HEC 201 HAB HEC 201 14.372 5.459 1.238 796 1HBB HEC 201 1HBB HEC 201 15.836 6.661 3.601 797 2HBB HEC 201 2HBB HEC 201 16.647 5.741 2.334 798 3HBB HEC 201 3HBB HEC 201 15.426 4.965 3.341 799 1HMC HEC 201 1HMC HEC 201 11.325 1.633 0.493 800 2HMC HEC 201 2HMC HEC 201 10.788 2.476 -0.960 801 3HMC HEC 201 3HMC HEC 201 12.135 3.113 -0.017 802 HAC HEC 201 HAC HEC 201 7.062 2.204 0.661 803 1HBC HEC 201 1HBC HEC 201 7.919 0.079 -0.061 804 2HBC HEC 201 2HBC HEC 201 8.819 0.530 1.387 805 3HBC HEC 201 3HBC HEC 201 9.554 0.725 -0.204 806 1HMD HEC 201 1HMD HEC 201 3.713 4.164 4.521 807 2HMD HEC 201 2HMD HEC 201 3.364 4.679 2.869 808 3HMD HEC 201 3HMD HEC 201 4.558 3.415 3.168 809 1HAD HEC 201 1HAD HEC 201 4.263 8.057 5.534 810 2HAD HEC 201 2HAD HEC 201 3.251 7.510 4.202 811 1HBD HEC 201 1HBD HEC 201 2.684 5.494 5.326 812 2HBD HEC 201 2HBD HEC 201 3.961 5.716 6.521 813 HHA HEC 202 HHA HEC 202 1.621 7.677 -9.513 814 HHB HEC 202 HHB HEC 202 2.783 4.104 -4.822 815 HHC HEC 202 HHC HEC 202 4.542 8.947 -1.247 816 HHD HEC 202 HHD HEC 202 2.595 12.904 -5.844 817 1HMA HEC 202 1HMA HEC 202 0.435 3.238 -7.579 818 2HMA HEC 202 2HMA HEC 202 0.942 3.224 -5.892 819 3HMA HEC 202 3HMA HEC 202 2.095 2.815 -7.162 820 1HAA HEC 202 1HAA HEC 202 1.128 5.272 -10.034 821 2HAA HEC 202 2HAA HEC 202 0.010 4.426 -9.004 822 1HBA HEC 202 1HBA HEC 202 -1.252 6.493 -8.643 823 2HBA HEC 202 2HBA HEC 202 -0.130 7.365 -9.683 824 1HMB HEC 202 1HMB HEC 202 2.808 3.563 -2.132 825 2HMB HEC 202 2HMB HEC 202 4.229 3.316 -3.146 826 3HMB HEC 202 3HMB HEC 202 4.423 3.752 -1.449 827 HAB HEC 202 HAB HEC 202 4.196 7.069 0.084 828 1HBB HEC 202 1HBB HEC 202 6.435 6.958 0.278 829 2HBB HEC 202 2HBB HEC 202 6.549 6.199 -1.311 830 3HBB HEC 202 3HBB HEC 202 6.338 5.202 0.127 831 1HMC HEC 202 1HMC HEC 202 4.653 12.801 -1.047 832 2HMC HEC 202 2HMC HEC 202 4.315 11.202 -0.386 833 3HMC HEC 202 3HMC HEC 202 5.832 11.502 -1.232 834 HAC HEC 202 HAC HEC 202 2.680 13.991 -4.029 835 1HBC HEC 202 1HBC HEC 202 4.770 14.956 -3.841 836 2HBC HEC 202 2HBC HEC 202 5.296 13.811 -2.608 837 3HBC HEC 202 3HBC HEC 202 4.278 15.180 -2.162 838 1HMD HEC 202 1HMD HEC 202 1.508 12.953 -9.656 839 2HMD HEC 202 2HMD HEC 202 2.850 13.465 -8.631 840 3HMD HEC 202 3HMD HEC 202 1.205 13.461 -7.994 841 1HAD HEC 202 1HAD HEC 202 1.908 9.282 -10.760 842 2HAD HEC 202 2HAD HEC 202 1.148 10.862 -10.880 843 1HBD HEC 202 1HBD HEC 202 3.587 11.752 -10.486 844 2HBD HEC 202 2HBD HEC 202 4.053 10.140 -11.030 845 HHA HEC 203 HHA HEC 203 7.105 -6.825 4.653 846 HHB HEC 203 HHB HEC 203 2.715 -2.061 4.947 847 HHC HEC 203 HHC HEC 203 4.651 0.073 -0.425 848 HHD HEC 203 HHD HEC 203 8.956 -4.485 -0.891 849 1HMA HEC 203 1HMA HEC 203 3.484 -3.407 7.660 850 2HMA HEC 203 2HMA HEC 203 3.023 -5.104 7.510 851 3HMA HEC 203 3HMA HEC 203 2.186 -3.874 6.562 852 1HAA HEC 203 1HAA HEC 203 4.795 -6.146 7.722 853 2HAA HEC 203 2HAA HEC 203 4.638 -7.322 6.425 854 1HBA HEC 203 1HBA HEC 203 6.852 -7.790 6.436 855 2HBA HEC 203 2HBA HEC 203 7.298 -6.086 6.542 856 1HMB HEC 203 1HMB HEC 203 1.101 0.392 3.535 857 2HMB HEC 203 2HMB HEC 203 2.381 1.225 4.418 858 3HMB HEC 203 3HMB HEC 203 1.867 -0.385 4.920 859 HAB HEC 203 HAB HEC 203 2.745 0.943 0.174 860 1HBB HEC 203 1HBB HEC 203 3.222 3.352 1.625 861 2HBB HEC 203 2HBB HEC 203 4.040 2.792 0.169 862 3HBB HEC 203 3HBB HEC 203 4.674 2.361 1.758 863 1HMC HEC 203 1HMC HEC 203 7.221 0.220 -2.755 864 2HMC HEC 203 2HMC HEC 203 5.971 -0.783 -3.491 865 3HMC HEC 203 3HMC HEC 203 5.554 0.332 -2.189 866 HAC HEC 203 HAC HEC 203 9.168 -3.371 -2.532 867 1HBC HEC 203 1HBC HEC 203 9.106 -0.742 -2.591 868 2HBC HEC 203 2HBC HEC 203 8.181 -0.984 -4.069 869 3HBC HEC 203 3HBC HEC 203 9.821 -1.620 -3.943 870 1HMD HEC 203 1HMD HEC 203 10.935 -6.771 1.059 871 2HMD HEC 203 2HMD HEC 203 10.248 -6.033 -0.389 872 3HMD HEC 203 3HMD HEC 203 9.826 -7.691 0.042 873 1HAD HEC 203 1HAD HEC 203 10.142 -7.837 3.098 874 2HAD HEC 203 2HAD HEC 203 8.786 -7.810 4.218 875 1HBD HEC 203 1HBD HEC 203 8.108 -9.021 1.635 876 2HBD HEC 203 2HBD HEC 203 9.391 -9.879 2.489 877 HHA HEC 204 HHA HEC 204 -6.836 2.174 3.904 878 HHB HEC 204 HHB HEC 204 -10.109 -2.352 1.029 879 HHC HEC 204 HHC HEC 204 -4.820 -5.946 1.004 880 HHD HEC 204 HHD HEC 204 -1.482 -0.992 2.665 881 1HMA HEC 204 1HMA HEC 204 -11.258 0.842 1.277 882 2HMA HEC 204 2HMA HEC 204 -11.712 0.321 2.901 883 3HMA HEC 204 3HMA HEC 204 -11.478 -0.874 1.624 884 1HAA HEC 204 1HAA HEC 204 -10.053 2.028 4.467 885 2HAA HEC 204 2HAA HEC 204 -8.568 2.800 3.925 886 1HBA HEC 204 1HBA HEC 204 -9.664 3.020 1.634 887 2HBA HEC 204 2HBA HEC 204 -11.163 2.524 2.412 888 1HMB HEC 204 1HMB HEC 204 -10.520 -3.880 -0.338 889 2HMB HEC 204 2HMB HEC 204 -10.314 -5.560 0.156 890 3HMB HEC 204 3HMB HEC 204 -9.739 -5.028 -1.425 891 HAB HEC 204 HAB HEC 204 -6.460 -7.035 0.321 892 1HBB HEC 204 1HBB HEC 204 -7.324 -5.861 -2.316 893 2HBB HEC 204 2HBB HEC 204 -6.962 -7.580 -2.158 894 3HBB HEC 204 3HBB HEC 204 -5.716 -6.381 -1.811 895 1HMC HEC 204 1HMC HEC 204 -1.562 -6.206 2.312 896 2HMC HEC 204 2HMC HEC 204 -1.620 -6.073 0.554 897 3HMC HEC 204 3HMC HEC 204 -3.030 -6.653 1.443 898 HAC HEC 204 HAC HEC 204 -0.440 -2.494 3.020 899 1HBC HEC 204 1HBC HEC 204 0.443 -4.336 0.775 900 2HBC HEC 204 2HBC HEC 204 1.430 -3.168 1.654 901 3HBC HEC 204 3HBC HEC 204 0.173 -2.607 0.551 902 1HMD HEC 204 1HMD HEC 204 -1.656 2.617 4.045 903 2HMD HEC 204 2HMD HEC 204 -1.129 0.962 4.348 904 3HMD HEC 204 3HMD HEC 204 -1.070 1.620 2.713 905 1HAD HEC 204 1HAD HEC 204 -3.790 3.867 3.559 906 2HAD HEC 204 2HAD HEC 204 -5.374 3.451 4.203 907 1HBD HEC 204 1HBD HEC 204 -4.269 2.559 6.249 908 2HBD HEC 204 2HBD HEC 204 -2.719 3.099 5.609 Start of MODEL 4 1 1H ALA 1 1H ALA 1 18.416 14.884 1.111 2 2H ALA 1 2H ALA 1 20.099 15.093 1.029 3 3H ALA 1 3H ALA 1 19.217 15.784 2.305 4 HA ALA 1 HA ALA 1 19.600 12.870 1.829 5 1HB ALA 1 1HB ALA 1 21.622 13.829 2.614 6 2HB ALA 1 2HB ALA 1 20.827 13.259 4.082 7 3HB ALA 1 3HB ALA 1 20.772 14.970 3.656 8 HA PRO 2 HA PRO 2 15.713 13.419 4.175 9 1HB PRO 2 1HB PRO 2 14.566 11.117 3.243 10 2HB PRO 2 2HB PRO 2 14.496 12.653 2.364 11 1HG PRO 2 1HG PRO 2 16.250 10.296 1.919 12 2HG PRO 2 2HG PRO 2 15.494 11.377 0.739 13 1HD PRO 2 1HD PRO 2 18.126 11.524 1.467 14 2HD PRO 2 2HD PRO 2 17.188 12.907 0.864 15 H LYS 3 H LYS 3 15.544 12.630 6.252 16 HA LYS 3 HA LYS 3 17.186 10.266 6.993 17 1HB LYS 3 1HB LYS 3 15.774 12.487 8.455 18 2HB LYS 3 2HB LYS 3 16.426 11.086 9.303 19 1HG LYS 3 1HG LYS 3 18.433 11.998 7.501 20 2HG LYS 3 2HG LYS 3 17.833 13.406 8.377 21 1HD LYS 3 1HD LYS 3 18.049 11.910 10.491 22 2HD LYS 3 2HD LYS 3 19.083 10.896 9.483 23 1HE LYS 3 1HE LYS 3 20.798 12.401 9.536 24 2HE LYS 3 2HE LYS 3 19.704 13.784 9.334 25 1HZ LYS 3 1HZ LYS 3 20.319 12.281 11.807 26 2HZ LYS 3 2HZ LYS 3 18.914 13.226 11.669 27 3HZ LYS 3 3HZ LYS 3 20.445 13.951 11.532 28 H ALA 4 H ALA 4 15.762 8.690 6.052 29 HA ALA 4 HA ALA 4 13.054 8.272 6.256 30 1HB ALA 4 1HB ALA 4 15.344 6.760 5.746 31 2HB ALA 4 2HB ALA 4 13.680 6.203 5.563 32 3HB ALA 4 3HB ALA 4 14.555 5.895 7.064 33 HA PRO 5 HA PRO 5 12.304 8.283 10.597 34 1HB PRO 5 1HB PRO 5 9.685 7.478 10.498 35 2HB PRO 5 2HB PRO 5 10.225 9.124 10.129 36 1HG PRO 5 1HG PRO 5 9.361 6.972 8.297 37 2HG PRO 5 2HG PRO 5 9.277 8.727 8.108 38 1HD PRO 5 1HD PRO 5 11.158 7.042 6.911 39 2HD PRO 5 2HD PRO 5 11.262 8.807 7.033 40 H ALA 6 H ALA 6 11.801 6.746 12.305 41 HA ALA 6 HA ALA 6 12.906 4.146 11.886 42 1HB ALA 6 1HB ALA 6 11.344 5.536 14.058 43 2HB ALA 6 2HB ALA 6 13.051 5.095 14.042 44 3HB ALA 6 3HB ALA 6 11.820 3.848 14.235 45 H ASP 7 H ASP 7 11.500 2.201 12.806 46 HA ASP 7 HA ASP 7 9.374 1.714 10.881 47 1HB ASP 7 1HB ASP 7 10.597 0.266 13.238 48 2HB ASP 7 2HB ASP 7 9.260 -0.423 12.319 49 H GLY 8 H GLY 8 7.323 0.582 11.991 50 1HA GLY 8 1HA GLY 8 5.489 0.737 13.470 51 2HA GLY 8 2HA GLY 8 6.425 1.851 14.462 52 H LEU 9 H LEU 9 6.363 2.728 11.157 53 HA LEU 9 HA LEU 9 4.905 5.166 11.719 54 1HB LEU 9 1HB LEU 9 6.606 4.213 9.752 55 2HB LEU 9 2HB LEU 9 5.054 4.287 8.915 56 HG LEU 9 HG LEU 9 5.813 6.607 10.634 57 1HD1 LEU 9 1HD1 LEU 9 7.074 5.892 7.978 58 2HD1 LEU 9 2HD1 LEU 9 7.883 6.360 9.475 59 3HD1 LEU 9 3HD1 LEU 9 6.980 7.559 8.548 60 1HD2 LEU 9 1HD2 LEU 9 4.169 6.046 8.193 61 2HD2 LEU 9 2HD2 LEU 9 4.828 7.671 8.399 62 3HD2 LEU 9 3HD2 LEU 9 3.755 6.988 9.626 63 H LYS 10 H LYS 10 2.718 5.308 11.888 64 HA LYS 10 HA LYS 10 1.087 3.110 10.685 65 1HB LYS 10 1HB LYS 10 1.053 4.716 13.140 66 2HB LYS 10 2HB LYS 10 -0.532 4.557 12.382 67 1HG LYS 10 1HG LYS 10 0.095 2.030 12.170 68 2HG LYS 10 2HG LYS 10 1.284 2.395 13.421 69 1HD LYS 10 1HD LYS 10 -0.609 3.419 14.770 70 2HD LYS 10 2HD LYS 10 -1.720 2.733 13.584 71 1HE LYS 10 1HE LYS 10 -1.100 0.495 14.139 72 2HE LYS 10 2HE LYS 10 0.333 1.038 15.035 73 1HZ LYS 10 1HZ LYS 10 -0.910 1.796 16.769 74 2HZ LYS 10 2HZ LYS 10 -1.922 0.528 16.267 75 3HZ LYS 10 3HZ LYS 10 -2.270 2.127 15.810 76 H MET 11 H MET 11 0.193 3.654 8.780 77 HA MET 11 HA MET 11 -0.397 6.473 8.102 78 1HB MET 11 1HB MET 11 -1.181 5.218 5.945 79 2HB MET 11 2HB MET 11 0.541 5.236 6.310 80 1HG MET 11 1HG MET 11 -0.946 3.018 7.554 81 2HG MET 11 2HG MET 11 -0.909 2.978 5.793 82 1HE MET 11 1HE MET 11 2.622 2.547 4.742 83 2HE MET 11 2HE MET 11 1.547 3.940 4.653 84 3HE MET 11 3HE MET 11 0.900 2.323 4.399 85 H ASP 12 H ASP 12 -2.211 7.092 9.289 86 HA ASP 12 HA ASP 12 -4.577 5.257 9.258 87 1HB ASP 12 1HB ASP 12 -5.282 6.955 11.085 88 2HB ASP 12 2HB ASP 12 -3.967 5.845 11.449 89 H LYS 13 H LYS 13 -3.590 7.323 7.158 90 HA LYS 13 HA LYS 13 -5.262 9.551 6.942 91 1HB LYS 13 1HB LYS 13 -4.114 7.560 4.994 92 2HB LYS 13 2HB LYS 13 -5.031 8.953 4.426 93 1HG LYS 13 1HG LYS 13 -2.622 9.106 6.263 94 2HG LYS 13 2HG LYS 13 -2.573 9.398 4.523 95 1HD LYS 13 1HD LYS 13 -4.315 11.193 4.858 96 2HD LYS 13 2HD LYS 13 -4.110 10.979 6.597 97 1HE LYS 13 1HE LYS 13 -1.539 11.278 5.231 98 2HE LYS 13 2HE LYS 13 -2.595 12.686 5.003 99 1HZ LYS 13 1HZ LYS 13 -2.503 11.448 7.653 100 2HZ LYS 13 2HZ LYS 13 -2.730 13.077 7.228 101 3HZ LYS 13 3HZ LYS 13 -1.175 12.394 7.188 102 H THR 14 H THR 14 -6.036 6.156 6.463 103 HA THR 14 HA THR 14 -8.859 6.916 5.772 104 HB THR 14 HB THR 14 -8.852 4.542 4.810 105 HG1 THR 14 1HG THR 14 -7.126 3.444 5.167 106 1HG2 THR 14 1HG2 THR 14 -7.631 5.253 2.777 107 2HG2 THR 14 2HG2 THR 14 -6.938 6.600 3.681 108 3HG2 THR 14 3HG2 THR 14 -8.676 6.533 3.394 109 H LYS 15 H LYS 15 -10.411 5.034 6.470 110 HA LYS 15 HA LYS 15 -10.440 4.832 9.313 111 1HB LYS 15 1HB LYS 15 -11.898 3.777 6.965 112 2HB LYS 15 2HB LYS 15 -12.025 2.782 8.416 113 1HG LYS 15 1HG LYS 15 -13.482 4.237 9.318 114 2HG LYS 15 2HG LYS 15 -12.303 5.541 9.161 115 1HD LYS 15 1HD LYS 15 -14.270 6.174 7.904 116 2HD LYS 15 2HD LYS 15 -12.997 5.776 6.749 117 1HE LYS 15 1HE LYS 15 -13.958 3.604 6.313 118 2HE LYS 15 2HE LYS 15 -15.112 3.790 7.648 119 1HZ LYS 15 1HZ LYS 15 -15.070 5.110 5.035 120 2HZ LYS 15 2HZ LYS 15 -15.628 6.010 6.364 121 3HZ LYS 15 3HZ LYS 15 -16.392 4.553 5.940 122 H GLN 16 H GLN 16 -8.897 2.892 6.859 123 HA GLN 16 HA GLN 16 -8.271 0.753 8.851 124 1HB GLN 16 1HB GLN 16 -8.522 1.001 5.890 125 2HB GLN 16 2HB GLN 16 -7.330 -0.154 6.489 126 1HG GLN 16 1HG GLN 16 -9.339 -0.847 8.096 127 2HG GLN 16 2HG GLN 16 -10.305 -0.178 6.780 128 1HE2 GLN 16 2HE2 GLN 16 -9.146 -0.950 4.481 129 2HE2 GLN 16 1HE2 GLN 16 -8.926 -2.631 4.400 130 HA PRO 17 HA PRO 17 -4.481 3.383 8.678 131 1HB PRO 17 1HB PRO 17 -3.820 2.961 11.309 132 2HB PRO 17 2HB PRO 17 -4.918 4.250 10.773 133 1HG PRO 17 1HG PRO 17 -5.564 1.562 11.898 134 2HG PRO 17 2HG PRO 17 -6.309 3.134 12.238 135 1HD PRO 17 1HD PRO 17 -7.459 1.333 10.594 136 2HD PRO 17 2HD PRO 17 -7.607 3.087 10.328 137 H VAL 18 H VAL 18 -2.505 2.527 8.168 138 HA VAL 18 HA VAL 18 -1.995 -0.341 8.870 139 HB VAL 18 HB VAL 18 -1.474 1.375 6.436 140 1HG1 VAL 18 1HG1 VAL 18 0.581 0.093 7.042 141 2HG1 VAL 18 2HG1 VAL 18 -0.130 -0.431 5.516 142 3HG1 VAL 18 3HG1 VAL 18 -0.363 -1.393 6.976 143 1HG2 VAL 18 1HG2 VAL 18 -3.192 -0.932 7.179 144 2HG2 VAL 18 2HG2 VAL 18 -2.456 -1.010 5.579 145 3HG2 VAL 18 3HG2 VAL 18 -3.482 0.358 6.011 146 H VAL 19 H VAL 19 0.288 -0.880 9.204 147 HA VAL 19 HA VAL 19 1.886 1.437 10.220 148 HB VAL 19 HB VAL 19 1.886 -1.537 10.823 149 1HG1 VAL 19 1HG1 VAL 19 3.751 0.681 11.572 150 2HG1 VAL 19 2HG1 VAL 19 4.105 -1.012 11.234 151 3HG1 VAL 19 3HG1 VAL 19 3.391 -0.553 12.779 152 1HG2 VAL 19 1HG2 VAL 19 0.716 -1.024 12.752 153 2HG2 VAL 19 2HG2 VAL 19 0.088 0.234 11.690 154 3HG2 VAL 19 3HG2 VAL 19 1.371 0.611 12.839 155 H PHE 20 H PHE 20 3.680 1.976 8.985 156 HA PHE 20 HA PHE 20 4.673 -0.078 7.044 157 1HB PHE 20 1HB PHE 20 3.824 2.045 6.109 158 2HB PHE 20 2HB PHE 20 4.971 2.944 7.100 159 HD1 PHE 20 HD1 PHE 20 4.992 0.004 4.766 160 HD2 PHE 20 HD2 PHE 20 6.966 3.586 6.069 161 HE1 PHE 20 HE1 PHE 20 6.753 -0.337 3.054 162 HE2 PHE 20 HE2 PHE 20 8.719 3.243 4.359 163 HZ PHE 20 HZ PHE 20 8.617 1.284 2.852 164 H ASN 21 H ASN 21 6.499 -1.088 7.736 165 HA ASN 21 HA ASN 21 8.309 0.255 9.660 166 1HB ASN 21 1HB ASN 21 7.384 -2.382 9.036 167 2HB ASN 21 2HB ASN 21 9.129 -2.349 8.820 168 1HD2 ASN 21 2HD2 ASN 21 6.651 -1.263 11.205 169 2HD2 ASN 21 1HD2 ASN 21 7.615 -1.579 12.567 170 H HIS 22 H HIS 22 9.487 1.751 8.341 171 HA HIS 22 HA HIS 22 10.405 1.447 5.721 172 1HB HIS 22 1HB HIS 22 11.365 2.828 8.197 173 2HB HIS 22 2HB HIS 22 12.432 2.815 6.796 174 HD1 HIS 22 HD1 HIS 22 9.603 4.593 8.212 175 HD2 HIS 22 HD2 HIS 22 10.994 3.871 4.344 176 HE1 HIS 22 HE1 HIS 22 8.553 6.355 6.733 177 H SER 23 H SER 23 11.742 0.049 8.695 178 HA SER 23 HA SER 23 14.256 -0.848 7.833 179 1HB SER 23 1HB SER 23 13.729 -2.766 9.453 180 2HB SER 23 2HB SER 23 13.537 -1.139 10.098 181 HG SER 23 HG SER 23 11.753 -2.665 10.462 182 H THR 24 H THR 24 11.068 -2.374 7.327 183 HA THR 24 HA THR 24 12.094 -4.668 5.887 184 HB THR 24 HB THR 24 9.368 -3.787 5.265 185 HG1 THR 24 1HG THR 24 9.774 -4.346 7.965 186 1HG2 THR 24 1HG2 THR 24 9.138 -6.020 5.311 187 2HG2 THR 24 2HG2 THR 24 9.546 -6.045 7.027 188 3HG2 THR 24 3HG2 THR 24 10.822 -6.164 5.815 189 H HIS 25 H HIS 25 11.769 -1.382 5.076 190 HA HIS 25 HA HIS 25 11.783 -2.013 2.157 191 1HB HIS 25 1HB HIS 25 10.866 0.443 3.680 192 2HB HIS 25 2HB HIS 25 10.702 0.174 1.947 193 HD1 HIS 25 HD1 HIS 25 9.409 -1.049 5.262 194 HD2 HIS 25 HD2 HIS 25 8.645 -1.634 1.207 195 HE1 HIS 25 HE1 HIS 25 7.282 -2.413 5.125 196 H LYS 26 H LYS 26 13.674 -0.923 4.743 197 HA LYS 26 HA LYS 26 15.198 1.219 3.755 198 1HB LYS 26 1HB LYS 26 16.845 0.456 5.323 199 2HB LYS 26 2HB LYS 26 15.291 -0.048 5.987 200 1HG LYS 26 1HG LYS 26 15.592 -2.298 5.091 201 2HG LYS 26 2HG LYS 26 17.096 -1.813 4.308 202 1HD LYS 26 1HD LYS 26 16.695 -1.544 7.290 203 2HD LYS 26 2HD LYS 26 17.312 -3.028 6.563 204 1HE LYS 26 1HE LYS 26 19.271 -1.960 5.759 205 2HE LYS 26 2HE LYS 26 18.569 -0.342 5.956 206 1HZ LYS 26 1HZ LYS 26 20.143 -1.344 7.782 207 2HZ LYS 26 2HZ LYS 26 18.712 -2.100 8.297 208 3HZ LYS 26 3HZ LYS 26 18.797 -0.406 8.213 209 H ALA 27 H ALA 27 15.094 -2.113 2.720 210 HA ALA 27 HA ALA 27 17.524 -1.818 1.037 211 1HB ALA 27 1HB ALA 27 17.000 -3.851 2.444 212 2HB ALA 27 2HB ALA 27 17.247 -4.213 0.736 213 3HB ALA 27 3HB ALA 27 15.612 -4.148 1.397 214 H VAL 28 H VAL 28 14.302 -1.029 0.803 215 HA VAL 28 HA VAL 28 13.852 -1.905 -1.974 216 HB VAL 28 HB VAL 28 12.350 -0.206 0.031 217 1HG1 VAL 28 1HG1 VAL 28 11.751 0.627 -2.149 218 2HG1 VAL 28 2HG1 VAL 28 10.441 -0.418 -1.601 219 3HG1 VAL 28 3HG1 VAL 28 11.602 -1.010 -2.788 220 1HG2 VAL 28 1HG2 VAL 28 11.047 -2.096 0.426 221 2HG2 VAL 28 2HG2 VAL 28 12.626 -2.828 0.142 222 3HG2 VAL 28 3HG2 VAL 28 11.421 -2.804 -1.145 223 H LYS 29 H LYS 29 13.036 -0.027 -3.475 224 HA LYS 29 HA LYS 29 15.238 1.898 -3.664 225 1HB LYS 29 1HB LYS 29 13.173 0.743 -5.335 226 2HB LYS 29 2HB LYS 29 13.242 2.495 -5.529 227 1HG LYS 29 1HG LYS 29 14.935 2.026 -6.977 228 2HG LYS 29 2HG LYS 29 15.890 1.906 -5.497 229 1HD LYS 29 1HD LYS 29 16.385 -0.130 -6.524 230 2HD LYS 29 2HD LYS 29 15.027 -0.584 -5.493 231 1HE LYS 29 1HE LYS 29 13.717 0.266 -7.752 232 2HE LYS 29 2HE LYS 29 15.179 -0.470 -8.440 233 1HZ LYS 29 1HZ LYS 29 13.811 -2.293 -8.122 234 2HZ LYS 29 2HZ LYS 29 13.147 -1.687 -6.680 235 3HZ LYS 29 3HZ LYS 29 14.732 -2.297 -6.698 236 H CYS 30 H CYS 30 15.088 3.542 -2.233 237 HA CYS 30 HA CYS 30 12.809 4.676 -1.029 238 1HB CYS 30 1HB CYS 30 15.557 5.626 -1.774 239 2HB CYS 30 2HB CYS 30 14.402 6.810 -1.168 240 H GLY 31 H GLY 31 13.985 4.910 -4.276 241 1HA GLY 31 1HA GLY 31 12.276 7.228 -4.929 242 2HA GLY 31 2HA GLY 31 13.375 6.407 -6.042 243 H ASP 32 H ASP 32 11.861 3.925 -4.569 244 HA ASP 32 HA ASP 32 10.074 3.452 -6.842 245 1HB ASP 32 1HB ASP 32 11.435 1.725 -5.622 246 2HB ASP 32 2HB ASP 32 10.418 1.991 -4.213 247 H CYS 33 H CYS 33 9.685 3.830 -3.324 248 HA CYS 33 HA CYS 33 6.772 4.135 -3.518 249 1HB CYS 33 1HB CYS 33 8.792 4.586 -1.285 250 2HB CYS 33 2HB CYS 33 7.045 4.512 -1.066 251 H HIS 34 H HIS 34 9.472 6.275 -2.482 252 HA HIS 34 HA HIS 34 7.786 8.677 -2.851 253 1HB HIS 34 1HB HIS 34 10.676 8.210 -2.030 254 2HB HIS 34 2HB HIS 34 9.889 9.779 -2.034 255 HD1 HIS 34 HD1 HIS 34 7.455 9.687 -0.562 256 HD2 HIS 34 HD2 HIS 34 10.498 7.020 0.439 257 HE1 HIS 34 HE1 HIS 34 7.016 8.951 1.823 258 H HIS 35 H HIS 35 8.117 7.284 -5.278 259 HA HIS 35 HA HIS 35 10.207 7.616 -6.973 260 1HB HIS 35 1HB HIS 35 8.397 8.303 -8.693 261 2HB HIS 35 2HB HIS 35 8.174 6.789 -7.840 262 HD1 HIS 35 HD1 HIS 35 7.005 10.323 -7.875 263 HD2 HIS 35 HD2 HIS 35 5.900 6.700 -6.164 264 HE1 HIS 35 HE1 HIS 35 4.731 10.702 -6.831 265 HA PRO 36 HA PRO 36 11.484 11.761 -7.235 266 1HB PRO 36 1HB PRO 36 12.098 11.988 -9.897 267 2HB PRO 36 2HB PRO 36 13.097 11.087 -8.737 268 1HG PRO 36 1HG PRO 36 11.068 10.070 -10.675 269 2HG PRO 36 2HG PRO 36 12.660 9.411 -10.261 270 1HD PRO 36 1HD PRO 36 10.374 8.384 -9.260 271 2HD PRO 36 2HD PRO 36 11.892 8.403 -8.333 272 H VAL 37 H VAL 37 9.698 13.060 -6.833 273 HA VAL 37 HA VAL 37 7.816 13.641 -9.076 274 HB VAL 37 HB VAL 37 7.815 13.962 -6.074 275 1HG1 VAL 37 1HG1 VAL 37 5.668 15.157 -6.273 276 2HG1 VAL 37 2HG1 VAL 37 5.823 15.153 -8.030 277 3HG1 VAL 37 3HG1 VAL 37 6.962 16.072 -7.046 278 1HG2 VAL 37 1HG2 VAL 37 6.624 12.187 -8.050 279 2HG2 VAL 37 2HG2 VAL 37 5.390 12.932 -7.035 280 3HG2 VAL 37 3HG2 VAL 37 6.700 12.010 -6.297 281 H ASN 38 H ASN 38 7.475 15.881 -9.677 282 HA ASN 38 HA ASN 38 8.315 18.043 -10.210 283 1HB ASN 38 1HB ASN 38 7.480 17.980 -7.770 284 2HB ASN 38 2HB ASN 38 9.170 17.961 -7.322 285 1HD2 ASN 38 2HD2 ASN 38 6.808 20.128 -7.392 286 2HD2 ASN 38 1HD2 ASN 38 7.626 21.504 -7.957 287 H GLY 39 H GLY 39 10.268 15.695 -10.378 288 1HA GLY 39 1HA GLY 39 12.529 15.670 -11.111 289 2HA GLY 39 2HA GLY 39 12.705 17.331 -10.539 290 H LYS 40 H LYS 40 11.224 15.994 -8.008 291 HA LYS 40 HA LYS 40 13.731 14.822 -6.831 292 1HB LYS 40 1HB LYS 40 13.197 16.216 -4.798 293 2HB LYS 40 2HB LYS 40 13.618 17.171 -6.220 294 1HG LYS 40 1HG LYS 40 11.502 18.006 -6.451 295 2HG LYS 40 2HG LYS 40 10.742 16.508 -5.914 296 1HD LYS 40 1HD LYS 40 10.400 18.329 -4.273 297 2HD LYS 40 2HD LYS 40 11.356 17.016 -3.586 298 1HE LYS 40 1HE LYS 40 13.439 18.292 -4.123 299 2HE LYS 40 2HE LYS 40 12.427 19.641 -4.680 300 1HZ LYS 40 1HZ LYS 40 11.364 19.731 -2.542 301 2HZ LYS 40 2HZ LYS 40 13.044 19.835 -2.313 302 3HZ LYS 40 3HZ LYS 40 12.229 18.377 -1.997 303 H GLU 41 H GLU 41 13.338 13.070 -5.467 304 HA GLU 41 HA GLU 41 10.723 11.832 -5.461 305 1HB GLU 41 1HB GLU 41 13.318 11.374 -3.970 306 2HB GLU 41 2HB GLU 41 11.915 10.326 -3.768 307 1HG GLU 41 1HG GLU 41 12.048 9.508 -5.947 308 2HG GLU 41 2HG GLU 41 12.900 10.934 -6.539 309 H ASP 42 H ASP 42 9.065 12.751 -4.257 310 HA ASP 42 HA ASP 42 9.519 14.379 -1.916 311 1HB ASP 42 1HB ASP 42 7.116 12.923 -3.036 312 2HB ASP 42 2HB ASP 42 7.033 14.030 -1.667 313 H TYR 43 H TYR 43 10.681 13.265 -0.348 314 HA TYR 43 HA TYR 43 10.009 10.519 0.415 315 1HB TYR 43 1HB TYR 43 11.861 12.628 1.575 316 2HB TYR 43 2HB TYR 43 11.831 10.938 2.078 317 HD1 TYR 43 HD1 TYR 43 12.990 13.307 -0.408 318 HD2 TYR 43 HD2 TYR 43 12.364 9.130 0.382 319 HE1 TYR 43 HE1 TYR 43 14.502 12.724 -2.284 320 HE2 TYR 43 HE2 TYR 43 13.873 8.551 -1.495 321 HH TYR 43 HH TYR 43 16.019 10.521 -2.804 322 H GLN 44 H GLN 44 7.678 11.924 0.760 323 HA GLN 44 HA GLN 44 7.536 12.360 3.730 324 1HB GLN 44 1HB GLN 44 5.603 13.918 3.018 325 2HB GLN 44 2HB GLN 44 7.241 14.464 2.655 326 1HG GLN 44 1HG GLN 44 7.044 13.654 0.360 327 2HG GLN 44 2HG GLN 44 5.445 12.994 0.704 328 1HE2 GLN 44 2HE2 GLN 44 7.206 16.143 0.858 329 2HE2 GLN 44 1HE2 GLN 44 5.857 17.082 0.434 330 H LYS 45 H LYS 45 5.171 12.057 4.504 331 HA LYS 45 HA LYS 45 4.308 9.436 4.233 332 1HB LYS 45 1HB LYS 45 3.091 12.045 4.983 333 2HB LYS 45 2HB LYS 45 1.984 10.700 4.718 334 1HG LYS 45 1HG LYS 45 3.133 9.341 6.354 335 2HG LYS 45 2HG LYS 45 4.406 10.549 6.527 336 1HD LYS 45 1HD LYS 45 2.928 12.107 7.565 337 2HD LYS 45 2HD LYS 45 1.505 11.172 7.102 338 1HE LYS 45 1HE LYS 45 3.214 9.430 8.586 339 2HE LYS 45 2HE LYS 45 3.045 10.939 9.506 340 1HZ LYS 45 1HZ LYS 45 1.201 9.319 9.864 341 2HZ LYS 45 2HZ LYS 45 0.768 9.519 8.233 342 3HZ LYS 45 3HZ LYS 45 0.690 10.836 9.304 343 H CYS 46 H CYS 46 3.354 8.288 2.640 344 HA CYS 46 HA CYS 46 3.059 9.004 -0.002 345 1HB CYS 46 1HB CYS 46 1.325 7.190 1.688 346 2HB CYS 46 2HB CYS 46 1.427 7.121 -0.067 347 H ALA 47 H ALA 47 0.607 9.406 2.538 348 HA ALA 47 HA ALA 47 -1.146 10.859 0.610 349 1HB ALA 47 1HB ALA 47 -2.368 10.625 3.115 350 2HB ALA 47 2HB ALA 47 -1.437 9.141 2.928 351 3HB ALA 47 3HB ALA 47 -2.639 9.587 1.718 352 H THR 48 H THR 48 0.915 12.489 1.089 353 HA THR 48 HA THR 48 1.028 14.027 3.434 354 HB THR 48 HB THR 48 1.259 15.329 0.747 355 HG1 THR 48 1HG THR 48 3.376 14.170 0.721 356 1HG2 THR 48 1HG2 THR 48 2.183 15.791 3.391 357 2HG2 THR 48 2HG2 THR 48 2.545 16.729 1.942 358 3HG2 THR 48 3HG2 THR 48 3.596 15.394 2.413 359 H ALA 49 H ALA 49 0.408 16.679 2.726 360 HA ALA 49 HA ALA 49 -2.466 16.738 3.245 361 1HB ALA 49 1HB ALA 49 -1.219 19.267 2.524 362 2HB ALA 49 2HB ALA 49 -0.208 18.355 3.644 363 3HB ALA 49 3HB ALA 49 -1.870 18.754 4.081 364 H GLY 50 H GLY 50 -0.599 16.582 0.416 365 1HA GLY 50 1HA GLY 50 -2.975 17.235 -1.229 366 2HA GLY 50 2HA GLY 50 -1.498 18.150 -1.563 367 H CYS 51 H CYS 51 -1.067 15.001 -0.360 368 HA CYS 51 HA CYS 51 0.001 14.086 -2.963 369 1HB CYS 51 1HB CYS 51 0.497 13.914 -0.089 370 2HB CYS 51 2HB CYS 51 0.667 12.372 -0.865 371 H HIS 52 H HIS 52 -0.412 11.286 -1.412 372 HA HIS 52 HA HIS 52 -2.846 10.581 -2.871 373 1HB HIS 52 1HB HIS 52 -0.985 9.151 -0.961 374 2HB HIS 52 2HB HIS 52 -2.346 8.358 -1.726 375 HD1 HIS 52 HD1 HIS 52 -2.316 8.714 -4.458 376 HD2 HIS 52 HD2 HIS 52 1.318 8.935 -2.464 377 HE1 HIS 52 HE1 HIS 52 -0.521 8.313 -6.210 378 H ASP 53 H ASP 53 -3.591 12.578 -1.139 379 HA ASP 53 HA ASP 53 -4.635 11.323 1.340 380 1HB ASP 53 1HB ASP 53 -5.085 13.665 1.948 381 2HB ASP 53 2HB ASP 53 -3.429 13.494 1.365 382 H ASN 54 H ASN 54 -5.808 10.887 -1.519 383 HA ASN 54 HA ASN 54 -8.420 12.216 -1.373 384 1HB ASN 54 1HB ASN 54 -6.858 11.072 -3.333 385 2HB ASN 54 2HB ASN 54 -8.091 9.839 -3.088 386 1HD2 ASN 54 2HD2 ASN 54 -9.831 10.148 -4.457 387 2HD2 ASN 54 1HD2 ASN 54 -10.431 11.655 -4.958 388 H MET 55 H MET 55 -9.657 11.546 0.375 389 HA MET 55 HA MET 55 -9.618 8.795 1.352 390 1HB MET 55 1HB MET 55 -11.520 11.081 1.950 391 2HB MET 55 2HB MET 55 -11.168 9.696 2.983 392 1HG MET 55 1HG MET 55 -8.681 10.916 2.327 393 2HG MET 55 2HG MET 55 -9.779 12.197 2.843 394 1HE MET 55 1HE MET 55 -7.029 10.154 4.491 395 2HE MET 55 2HE MET 55 -7.401 11.311 5.767 396 3HE MET 55 3HE MET 55 -7.381 11.840 4.087 397 H ASP 56 H ASP 56 -10.843 9.882 -1.436 398 HA ASP 56 HA ASP 56 -13.591 8.886 -1.292 399 1HB ASP 56 1HB ASP 56 -12.363 10.685 -2.820 400 2HB ASP 56 2HB ASP 56 -12.056 9.277 -3.837 401 H LYS 57 H LYS 57 -10.491 7.477 -1.671 402 HA LYS 57 HA LYS 57 -9.790 5.332 -2.398 403 1HB LYS 57 1HB LYS 57 -12.565 4.638 -1.415 404 2HB LYS 57 2HB LYS 57 -11.119 3.632 -1.341 405 1HG LYS 57 1HG LYS 57 -10.475 4.579 0.596 406 2HG LYS 57 2HG LYS 57 -10.665 6.200 -0.066 407 1HD LYS 57 1HD LYS 57 -12.173 5.792 1.877 408 2HD LYS 57 2HD LYS 57 -13.064 6.148 0.398 409 1HE LYS 57 1HE LYS 57 -13.030 3.517 0.101 410 2HE LYS 57 2HE LYS 57 -12.801 3.540 1.861 411 1HZ LYS 57 1HZ LYS 57 -15.078 3.691 1.705 412 2HZ LYS 57 2HZ LYS 57 -15.037 4.596 0.267 413 3HZ LYS 57 3HZ LYS 57 -14.656 5.334 1.749 414 H LYS 58 H LYS 58 -11.525 7.032 -4.313 415 HA LYS 58 HA LYS 58 -12.240 4.771 -6.143 416 1HB LYS 58 1HB LYS 58 -13.813 7.304 -5.567 417 2HB LYS 58 2HB LYS 58 -14.260 6.081 -6.757 418 1HG LYS 58 1HG LYS 58 -13.723 5.073 -4.020 419 2HG LYS 58 2HG LYS 58 -15.167 6.067 -4.200 420 1HD LYS 58 1HD LYS 58 -15.535 4.533 -6.340 421 2HD LYS 58 2HD LYS 58 -14.530 3.412 -5.421 422 1HE LYS 58 1HE LYS 58 -16.379 4.438 -3.555 423 2HE LYS 58 2HE LYS 58 -17.321 4.074 -5.016 424 1HZ LYS 58 1HZ LYS 58 -16.725 1.889 -4.983 425 2HZ LYS 58 2HZ LYS 58 -16.684 2.190 -3.310 426 3HZ LYS 58 3HZ LYS 58 -15.242 2.177 -4.211 427 H ASP 59 H ASP 59 -10.502 7.639 -5.668 428 HA ASP 59 HA ASP 59 -10.677 8.932 -8.204 429 1HB ASP 59 1HB ASP 59 -9.646 9.977 -6.292 430 2HB ASP 59 2HB ASP 59 -8.484 8.661 -6.131 431 H LYS 60 H LYS 60 -8.899 6.082 -7.148 432 HA LYS 60 HA LYS 60 -7.410 4.661 -8.336 433 1HB LYS 60 1HB LYS 60 -9.929 5.052 -9.585 434 2HB LYS 60 2HB LYS 60 -8.732 4.984 -10.878 435 1HG LYS 60 1HG LYS 60 -8.656 2.965 -8.650 436 2HG LYS 60 2HG LYS 60 -9.766 2.748 -10.004 437 1HD LYS 60 1HD LYS 60 -6.793 3.232 -10.335 438 2HD LYS 60 2HD LYS 60 -7.526 1.627 -10.317 439 1HE LYS 60 1HE LYS 60 -8.307 1.849 -12.444 440 2HE LYS 60 2HE LYS 60 -8.867 3.507 -12.149 441 1HZ LYS 60 1HZ LYS 60 -6.171 2.571 -12.884 442 2HZ LYS 60 2HZ LYS 60 -6.357 4.021 -12.021 443 3HZ LYS 60 3HZ LYS 60 -7.076 3.841 -13.550 444 H SER 61 H SER 61 -6.804 7.637 -8.402 445 HA SER 61 HA SER 61 -5.340 7.745 -11.018 446 1HB SER 61 1HB SER 61 -7.162 9.480 -9.872 447 2HB SER 61 2HB SER 61 -5.619 10.205 -9.430 448 HG SER 61 HG SER 61 -5.767 10.962 -11.402 449 H ALA 62 H ALA 62 -3.537 9.766 -10.344 450 HA ALA 62 HA ALA 62 -1.619 8.278 -8.672 451 1HB ALA 62 1HB ALA 62 -1.643 10.265 -10.785 452 2HB ALA 62 2HB ALA 62 -0.324 9.216 -10.267 453 3HB ALA 62 3HB ALA 62 -0.579 10.769 -9.472 454 H LYS 63 H LYS 63 -4.117 10.088 -7.760 455 HA LYS 63 HA LYS 63 -2.576 11.504 -5.604 456 1HB LYS 63 1HB LYS 63 -4.025 12.649 -7.609 457 2HB LYS 63 2HB LYS 63 -5.274 12.466 -6.375 458 1HG LYS 63 1HG LYS 63 -2.734 13.466 -5.300 459 2HG LYS 63 2HG LYS 63 -3.454 14.543 -6.498 460 1HD LYS 63 1HD LYS 63 -5.665 14.165 -5.186 461 2HD LYS 63 2HD LYS 63 -4.618 13.588 -3.889 462 1HE LYS 63 1HE LYS 63 -4.406 15.774 -3.290 463 2HE LYS 63 2HE LYS 63 -3.394 15.959 -4.737 464 1HZ LYS 63 1HZ LYS 63 -5.240 17.488 -4.854 465 2HZ LYS 63 2HZ LYS 63 -6.352 16.228 -4.608 466 3HZ LYS 63 3HZ LYS 63 -5.436 16.287 -6.037 467 H GLY 64 H GLY 64 -4.775 9.042 -6.279 468 1HA GLY 64 1HA GLY 64 -6.456 9.374 -3.922 469 2HA GLY 64 2HA GLY 64 -6.444 7.978 -4.993 470 H TYR 65 H TYR 65 -6.404 7.942 -2.105 471 HA TYR 65 HA TYR 65 -3.655 7.123 -1.374 472 1HB TYR 65 1HB TYR 65 -5.330 8.521 0.009 473 2HB TYR 65 2HB TYR 65 -6.157 6.990 0.305 474 HD1 TYR 65 HD1 TYR 65 -2.534 7.929 0.058 475 HD2 TYR 65 HD2 TYR 65 -5.660 6.210 2.446 476 HE1 TYR 65 HE1 TYR 65 -0.879 7.357 1.812 477 HE2 TYR 65 HE2 TYR 65 -4.004 5.638 4.201 478 HH TYR 65 HH TYR 65 -0.549 6.083 3.680 479 H TYR 66 H TYR 66 -6.690 5.673 -2.310 480 HA TYR 66 HA TYR 66 -5.859 3.029 -1.248 481 1HB TYR 66 1HB TYR 66 -8.102 3.484 -0.786 482 2HB TYR 66 2HB TYR 66 -8.340 4.337 -2.311 483 HD1 TYR 66 HD1 TYR 66 -8.581 1.177 -0.600 484 HD2 TYR 66 HD2 TYR 66 -8.293 3.018 -4.462 485 HE1 TYR 66 HE1 TYR 66 -9.413 -0.910 -1.646 486 HE2 TYR 66 HE2 TYR 66 -9.136 0.930 -5.522 487 HH TYR 66 HH TYR 66 -9.230 -1.491 -4.985 488 H HIS 67 H HIS 67 -5.437 4.840 -4.050 489 HA HIS 67 HA HIS 67 -5.634 2.558 -5.937 490 1HB HIS 67 1HB HIS 67 -6.389 4.650 -6.779 491 2HB HIS 67 2HB HIS 67 -5.002 5.508 -6.108 492 HD1 HIS 67 HD1 HIS 67 -5.815 2.929 -8.773 493 HD2 HIS 67 HD2 HIS 67 -2.809 5.655 -7.823 494 HE1 HIS 67 HE1 HIS 67 -4.155 2.858 -10.682 495 H ALA 68 H ALA 68 -3.077 4.986 -5.343 496 HA ALA 68 HA ALA 68 -0.917 3.581 -6.422 497 1HB ALA 68 1HB ALA 68 -0.356 5.723 -5.822 498 2HB ALA 68 2HB ALA 68 0.222 4.932 -4.355 499 3HB ALA 68 3HB ALA 68 -1.370 5.689 -4.380 500 H MET 69 H MET 69 -2.699 2.758 -3.574 501 HA MET 69 HA MET 69 -0.458 1.190 -2.438 502 1HB MET 69 1HB MET 69 -3.286 1.767 -1.538 503 2HB MET 69 2HB MET 69 -2.079 0.916 -0.576 504 1HG MET 69 1HG MET 69 -0.991 3.387 -1.621 505 2HG MET 69 2HG MET 69 -2.461 3.695 -0.702 506 1HE MET 69 1HE MET 69 0.493 4.802 0.868 507 2HE MET 69 2HE MET 69 0.615 4.126 -0.754 508 3HE MET 69 3HE MET 69 1.560 3.426 0.559 509 H HIS 70 H HIS 70 -3.764 0.601 -3.705 510 HA HIS 70 HA HIS 70 -3.239 -2.310 -3.529 511 1HB HIS 70 1HB HIS 70 -5.707 -0.788 -4.399 512 2HB HIS 70 2HB HIS 70 -5.629 -2.476 -3.890 513 HD1 HIS 70 HD1 HIS 70 -5.971 0.947 -2.603 514 HD2 HIS 70 HD2 HIS 70 -4.970 -2.781 -1.041 515 HE1 HIS 70 HE1 HIS 70 -6.209 1.140 -0.093 516 H ASP 71 H ASP 71 -3.263 0.260 -5.851 517 HA ASP 71 HA ASP 71 -3.791 -1.435 -8.180 518 1HB ASP 71 1HB ASP 71 -2.921 1.409 -7.658 519 2HB ASP 71 2HB ASP 71 -3.061 0.770 -9.288 520 H LYS 72 H LYS 72 -2.249 -2.728 -9.091 521 HA LYS 72 HA LYS 72 0.586 -2.426 -8.357 522 1HB LYS 72 1HB LYS 72 0.793 -4.555 -9.521 523 2HB LYS 72 2HB LYS 72 -0.658 -4.605 -8.519 524 1HG LYS 72 1HG LYS 72 -1.993 -3.914 -10.535 525 2HG LYS 72 2HG LYS 72 -0.526 -4.081 -11.502 526 1HD LYS 72 1HD LYS 72 -0.754 -6.450 -9.957 527 2HD LYS 72 2HD LYS 72 -2.349 -6.135 -10.643 528 1HE LYS 72 1HE LYS 72 -1.421 -6.013 -12.893 529 2HE LYS 72 2HE LYS 72 0.228 -6.163 -12.254 530 1HZ LYS 72 1HZ LYS 72 -0.884 -8.298 -13.014 531 2HZ LYS 72 2HZ LYS 72 -1.881 -8.151 -11.646 532 3HZ LYS 72 3HZ LYS 72 -0.199 -8.311 -11.462 533 H GLY 73 H GLY 73 -1.390 -2.250 -11.319 534 1HA GLY 73 1HA GLY 73 0.851 -1.518 -13.012 535 2HA GLY 73 2HA GLY 73 -0.855 -1.395 -13.454 536 H THR 74 H THR 74 1.266 0.125 -11.011 537 HA THR 74 HA THR 74 -0.020 2.751 -11.650 538 HB THR 74 HB THR 74 1.173 3.188 -9.329 539 HG1 THR 74 1HG THR 74 2.308 1.376 -9.049 540 1HG2 THR 74 1HG2 THR 74 -0.821 2.087 -8.186 541 2HG2 THR 74 2HG2 THR 74 -1.281 1.477 -9.777 542 3HG2 THR 74 3HG2 THR 74 -1.218 3.214 -9.484 543 H LYS 75 H LYS 75 1.450 4.656 -11.582 544 HA LYS 75 HA LYS 75 3.614 4.711 -13.269 545 1HB LYS 75 1HB LYS 75 2.401 6.479 -11.642 546 2HB LYS 75 2HB LYS 75 3.858 6.212 -10.688 547 1HG LYS 75 1HG LYS 75 4.064 8.117 -12.306 548 2HG LYS 75 2HG LYS 75 5.266 6.852 -12.554 549 1HD LYS 75 1HD LYS 75 2.894 6.222 -14.062 550 2HD LYS 75 2HD LYS 75 3.418 7.861 -14.449 551 1HE LYS 75 1HE LYS 75 5.583 5.825 -14.289 552 2HE LYS 75 2HE LYS 75 4.472 5.686 -15.667 553 1HZ LYS 75 1HZ LYS 75 5.987 7.250 -16.411 554 2HZ LYS 75 2HZ LYS 75 6.174 7.963 -14.881 555 3HZ LYS 75 3HZ LYS 75 4.758 8.233 -15.780 556 H PHE 76 H PHE 76 3.567 3.590 -9.935 557 HA PHE 76 HA PHE 76 6.320 2.461 -10.289 558 1HB PHE 76 1HB PHE 76 5.210 3.879 -7.845 559 2HB PHE 76 2HB PHE 76 6.825 3.203 -8.008 560 HD1 PHE 76 HD1 PHE 76 4.726 6.046 -8.543 561 HD2 PHE 76 HD2 PHE 76 8.297 4.114 -9.943 562 HE1 PHE 76 HE1 PHE 76 5.443 8.158 -9.620 563 HE2 PHE 76 HE2 PHE 76 9.016 6.231 -11.019 564 HZ PHE 76 HZ PHE 76 7.582 8.245 -10.854 565 H LYS 77 H LYS 77 6.665 0.876 -8.227 566 HA LYS 77 HA LYS 77 4.400 -0.977 -8.332 567 1HB LYS 77 1HB LYS 77 5.880 -2.373 -6.953 568 2HB LYS 77 2HB LYS 77 6.748 -1.739 -8.346 569 1HG LYS 77 1HG LYS 77 7.460 0.183 -6.774 570 2HG LYS 77 2HG LYS 77 6.929 -0.876 -5.467 571 1HD LYS 77 1HD LYS 77 9.325 -1.211 -5.878 572 2HD LYS 77 2HD LYS 77 8.431 -2.660 -6.332 573 1HE LYS 77 1HE LYS 77 8.462 -1.006 -8.636 574 2HE LYS 77 2HE LYS 77 10.118 -1.021 -7.995 575 1HZ LYS 77 1HZ LYS 77 9.814 -3.478 -7.698 576 2HZ LYS 77 2HZ LYS 77 9.901 -2.958 -9.313 577 3HZ LYS 77 3HZ LYS 77 8.399 -3.356 -8.625 578 H SER 78 H SER 78 2.719 -0.682 -7.083 579 HA SER 78 HA SER 78 2.640 1.158 -4.845 580 1HB SER 78 1HB SER 78 0.668 1.082 -6.042 581 2HB SER 78 2HB SER 78 0.819 -0.639 -6.375 582 HG SER 78 HG SER 78 -0.217 -1.061 -4.592 583 H CYS 79 H CYS 79 1.709 0.486 -2.710 584 HA CYS 79 HA CYS 79 3.237 -1.310 -1.243 585 1HB CYS 79 1HB CYS 79 0.289 -0.673 -0.910 586 2HB CYS 79 2HB CYS 79 1.387 -1.182 0.369 587 H VAL 80 H VAL 80 0.076 -1.978 -2.766 588 HA VAL 80 HA VAL 80 0.272 -4.863 -2.206 589 HB VAL 80 HB VAL 80 -1.630 -3.006 -3.640 590 1HG1 VAL 80 1HG1 VAL 80 -2.857 -5.526 -3.343 591 2HG1 VAL 80 2HG1 VAL 80 -1.283 -5.838 -4.075 592 3HG1 VAL 80 3HG1 VAL 80 -2.413 -4.728 -4.852 593 1HG2 VAL 80 1HG2 VAL 80 -2.624 -4.789 -1.528 594 2HG2 VAL 80 2HG2 VAL 80 -2.790 -3.040 -1.682 595 3HG2 VAL 80 3HG2 VAL 80 -1.331 -3.726 -0.971 596 H GLY 81 H GLY 81 0.900 -2.639 -4.863 597 1HA GLY 81 1HA GLY 81 1.041 -4.608 -6.963 598 2HA GLY 81 2HA GLY 81 1.765 -2.999 -7.018 599 H CYS 82 H CYS 82 3.428 -3.229 -4.722 600 HA CYS 82 HA CYS 82 5.651 -4.787 -5.855 601 1HB CYS 82 1HB CYS 82 5.639 -2.482 -4.625 602 2HB CYS 82 2HB CYS 82 5.538 -3.440 -3.152 603 H HIS 83 H HIS 83 3.214 -5.088 -3.413 604 HA HIS 83 HA HIS 83 4.462 -7.170 -1.839 605 1HB HIS 83 1HB HIS 83 1.817 -5.816 -2.153 606 2HB HIS 83 2HB HIS 83 1.850 -7.328 -1.262 607 HD1 HIS 83 HD1 HIS 83 1.392 -5.972 0.974 608 HD2 HIS 83 HD2 HIS 83 4.984 -5.039 -0.923 609 HE1 HIS 83 HE1 HIS 83 2.785 -4.711 2.666 610 H LEU 84 H LEU 84 1.693 -7.295 -4.158 611 HA LEU 84 HA LEU 84 1.415 -10.079 -4.335 612 1HB LEU 84 1HB LEU 84 0.511 -7.731 -5.579 613 2HB LEU 84 2HB LEU 84 1.181 -8.702 -6.885 614 HG LEU 84 HG LEU 84 -0.605 -9.975 -4.844 615 1HD1 LEU 84 1HD1 LEU 84 -1.665 -8.731 -7.383 616 2HD1 LEU 84 2HD1 LEU 84 -1.649 -7.842 -5.859 617 3HD1 LEU 84 3HD1 LEU 84 -2.575 -9.337 -5.999 618 1HD2 LEU 84 1HD2 LEU 84 -1.132 -11.438 -6.783 619 2HD2 LEU 84 2HD2 LEU 84 0.600 -11.398 -6.451 620 3HD2 LEU 84 3HD2 LEU 84 -0.063 -10.463 -7.791 621 H GLU 85 H GLU 85 3.839 -7.952 -5.766 622 HA GLU 85 HA GLU 85 4.952 -10.066 -7.491 623 1HB GLU 85 1HB GLU 85 5.702 -7.215 -6.785 624 2HB GLU 85 2HB GLU 85 6.631 -8.199 -7.917 625 1HG GLU 85 1HG GLU 85 4.690 -8.457 -9.362 626 2HG GLU 85 2HG GLU 85 3.671 -7.608 -8.198 627 H THR 86 H THR 86 6.089 -8.153 -4.673 628 HA THR 86 HA THR 86 8.545 -9.522 -4.266 629 HB THR 86 HB THR 86 6.608 -7.944 -2.590 630 HG1 THR 86 1HG THR 86 8.011 -6.440 -3.005 631 1HG2 THR 86 1HG2 THR 86 8.079 -8.111 -0.654 632 2HG2 THR 86 2HG2 THR 86 9.166 -9.183 -1.537 633 3HG2 THR 86 3HG2 THR 86 7.543 -9.728 -1.114 634 H ALA 87 H ALA 87 5.307 -10.589 -3.821 635 HA ALA 87 HA ALA 87 6.040 -12.688 -1.859 636 1HB ALA 87 1HB ALA 87 3.951 -11.717 -1.408 637 2HB ALA 87 2HB ALA 87 3.488 -13.154 -2.319 638 3HB ALA 87 3HB ALA 87 3.540 -11.583 -3.117 639 H GLY 88 H GLY 88 5.154 -12.314 -5.257 640 1HA GLY 88 1HA GLY 88 5.244 -13.825 -7.046 641 2HA GLY 88 2HA GLY 88 6.485 -14.665 -6.116 642 H ALA 89 H ALA 89 5.779 -16.775 -6.455 643 HA ALA 89 HA ALA 89 2.959 -17.507 -6.038 644 1HB ALA 89 1HB ALA 89 3.639 -19.539 -6.969 645 2HB ALA 89 2HB ALA 89 5.262 -19.413 -6.293 646 3HB ALA 89 3HB ALA 89 4.805 -18.422 -7.677 647 H ASP 90 H ASP 90 3.920 -16.384 -3.685 648 HA ASP 90 HA ASP 90 4.355 -18.754 -1.912 649 1HB ASP 90 1HB ASP 90 6.237 -17.197 -2.005 650 2HB ASP 90 2HB ASP 90 5.168 -15.845 -1.640 651 H ALA 91 H ALA 91 1.990 -18.945 -1.954 652 HA ALA 91 HA ALA 91 -0.022 -17.196 -1.352 653 1HB ALA 91 1HB ALA 91 -1.158 -19.073 -0.381 654 2HB ALA 91 2HB ALA 91 0.359 -19.795 0.154 655 3HB ALA 91 3HB ALA 91 -0.036 -19.745 -1.564 656 H ALA 92 H ALA 92 2.558 -18.150 0.831 657 HA ALA 92 HA ALA 92 1.342 -17.047 3.241 658 1HB ALA 92 1HB ALA 92 3.208 -17.969 4.206 659 2HB ALA 92 2HB ALA 92 4.286 -17.250 3.010 660 3HB ALA 92 3HB ALA 92 3.418 -18.738 2.633 661 H LYS 93 H LYS 93 3.684 -15.981 0.818 662 HA LYS 93 HA LYS 93 4.117 -13.368 2.031 663 1HB LYS 93 1HB LYS 93 4.910 -14.954 -0.341 664 2HB LYS 93 2HB LYS 93 4.987 -13.210 -0.544 665 1HG LYS 93 1HG LYS 93 6.314 -13.101 1.596 666 2HG LYS 93 2HG LYS 93 6.350 -14.866 1.592 667 1HD LYS 93 1HD LYS 93 7.347 -14.713 -0.750 668 2HD LYS 93 2HD LYS 93 7.556 -12.988 -0.450 669 1HE LYS 93 1HE LYS 93 9.399 -13.367 0.814 670 2HE LYS 93 2HE LYS 93 8.542 -14.578 1.789 671 1HZ LYS 93 1HZ LYS 93 9.931 -14.944 -0.795 672 2HZ LYS 93 2HZ LYS 93 8.727 -16.031 -0.287 673 3HZ LYS 93 3HZ LYS 93 10.132 -15.817 0.646 674 H LYS 94 H LYS 94 1.879 -14.803 -0.246 675 HA LYS 94 HA LYS 94 0.974 -12.281 -1.415 676 1HB LYS 94 1HB LYS 94 0.605 -15.122 -1.723 677 2HB LYS 94 2HB LYS 94 -0.976 -14.342 -1.637 678 1HG LYS 94 1HG LYS 94 0.470 -12.630 -3.268 679 2HG LYS 94 2HG LYS 94 1.043 -14.225 -3.759 680 1HD LYS 94 1HD LYS 94 -1.659 -14.656 -3.541 681 2HD LYS 94 2HD LYS 94 -1.608 -12.991 -4.123 682 1HE LYS 94 1HE LYS 94 -0.410 -13.594 -6.088 683 2HE LYS 94 2HE LYS 94 0.030 -15.181 -5.425 684 1HZ LYS 94 1HZ LYS 94 -2.718 -14.239 -6.061 685 2HZ LYS 94 2HZ LYS 94 -2.348 -15.719 -5.312 686 3HZ LYS 94 3HZ LYS 94 -1.845 -15.422 -6.907 687 H LYS 95 H LYS 95 0.212 -14.185 1.411 688 HA LYS 95 HA LYS 95 -2.332 -12.768 1.925 689 1HB LYS 95 1HB LYS 95 -2.572 -14.385 3.635 690 2HB LYS 95 2HB LYS 95 -1.675 -15.248 2.387 691 1HG LYS 95 1HG LYS 95 -0.185 -15.716 4.028 692 2HG LYS 95 2HG LYS 95 0.341 -14.044 3.837 693 1HD LYS 95 1HD LYS 95 -1.350 -13.358 5.542 694 2HD LYS 95 2HD LYS 95 -1.747 -15.059 5.787 695 1HE LYS 95 1HE LYS 95 1.134 -14.242 5.985 696 2HE LYS 95 2HE LYS 95 0.051 -13.883 7.346 697 1HZ LYS 95 1HZ LYS 95 1.163 -16.204 7.206 698 2HZ LYS 95 2HZ LYS 95 -0.041 -16.526 6.052 699 3HZ LYS 95 3HZ LYS 95 -0.474 -16.094 7.637 700 H GLU 96 H GLU 96 1.032 -12.534 2.722 701 HA GLU 96 HA GLU 96 0.577 -10.776 5.064 702 1HB GLU 96 1HB GLU 96 2.981 -11.012 5.287 703 2HB GLU 96 2HB GLU 96 2.330 -12.591 4.884 704 1HG GLU 96 1HG GLU 96 2.948 -12.291 2.562 705 2HG GLU 96 2HG GLU 96 3.501 -10.649 2.894 706 H LEU 97 H LEU 97 1.988 -10.670 1.828 707 HA LEU 97 HA LEU 97 2.550 -7.806 1.908 708 1HB LEU 97 1HB LEU 97 2.455 -9.812 -0.356 709 2HB LEU 97 2HB LEU 97 3.255 -8.240 -0.397 710 HG LEU 97 HG LEU 97 3.992 -10.666 1.237 711 1HD1 LEU 97 1HD1 LEU 97 5.352 -10.808 -0.563 712 2HD1 LEU 97 2HD1 LEU 97 6.259 -9.519 0.227 713 3HD1 LEU 97 3HD1 LEU 97 5.076 -9.128 -1.019 714 1HD2 LEU 97 1HD2 LEU 97 4.877 -7.790 1.637 715 2HD2 LEU 97 2HD2 LEU 97 5.647 -9.186 2.389 716 3HD2 LEU 97 3HD2 LEU 97 3.979 -8.775 2.792 717 H THR 98 H THR 98 0.466 -9.654 -0.338 718 HA THR 98 HA THR 98 -1.132 -7.231 -0.842 719 HB THR 98 HB THR 98 -2.238 -8.806 -2.472 720 HG1 THR 98 1HG THR 98 -1.384 -10.847 -2.650 721 1HG2 THR 98 1HG2 THR 98 -0.573 -8.360 -3.953 722 2HG2 THR 98 2HG2 THR 98 0.638 -9.199 -2.982 723 3HG2 THR 98 3HG2 THR 98 0.188 -7.540 -2.590 724 H GLY 99 H GLY 99 -1.320 -9.971 1.242 725 1HA GLY 99 1HA GLY 99 -4.054 -10.501 1.430 726 2HA GLY 99 2HA GLY 99 -2.974 -10.525 2.823 727 H CYS 100 H CYS 100 -5.761 -9.207 1.843 728 HA CYS 100 HA CYS 100 -5.328 -6.446 2.737 729 1HB CYS 100 1HB CYS 100 -8.054 -7.513 2.475 730 2HB CYS 100 2HB CYS 100 -7.359 -6.079 1.776 731 H LYS 101 H LYS 101 -7.596 -8.990 3.800 732 HA LYS 101 HA LYS 101 -7.696 -7.666 6.450 733 1HB LYS 101 1HB LYS 101 -9.554 -8.777 4.755 734 2HB LYS 101 2HB LYS 101 -9.331 -10.058 5.947 735 1HG LYS 101 1HG LYS 101 -9.666 -8.334 7.754 736 2HG LYS 101 2HG LYS 101 -10.089 -7.176 6.492 737 1HD LYS 101 1HD LYS 101 -11.955 -8.571 5.776 738 2HD LYS 101 2HD LYS 101 -11.500 -9.823 6.933 739 1HE LYS 101 1HE LYS 101 -11.929 -8.278 8.806 740 2HE LYS 101 2HE LYS 101 -12.359 -6.997 7.655 741 1HZ LYS 101 1HZ LYS 101 -14.368 -8.082 8.281 742 2HZ LYS 101 2HZ LYS 101 -13.701 -9.622 8.012 743 3HZ LYS 101 3HZ LYS 101 -14.007 -8.584 6.701 744 H GLY 102 H GLY 102 -5.476 -9.626 5.382 745 1HA GLY 102 1HA GLY 102 -5.138 -10.980 7.956 746 2HA GLY 102 2HA GLY 102 -5.427 -12.082 6.609 747 H SER 103 H SER 103 -3.592 -9.031 6.570 748 HA SER 103 HA SER 103 -1.174 -10.624 5.829 749 1HB SER 103 1HB SER 103 -0.775 -8.970 4.177 750 2HB SER 103 2HB SER 103 -2.485 -9.326 4.069 751 HG SER 103 HG SER 103 -2.946 -7.445 5.058 752 H LYS 104 H LYS 104 0.350 -8.149 5.624 753 HA LYS 104 HA LYS 104 0.899 -7.676 8.520 754 1HB LYS 104 1HB LYS 104 2.414 -7.157 5.941 755 2HB LYS 104 2HB LYS 104 3.056 -6.873 7.557 756 1HG LYS 104 1HG LYS 104 1.955 -9.560 7.293 757 2HG LYS 104 2HG LYS 104 3.240 -9.258 6.122 758 1HD LYS 104 1HD LYS 104 4.538 -8.265 8.150 759 2HD LYS 104 2HD LYS 104 3.371 -9.153 9.129 760 1HE LYS 104 1HE LYS 104 4.532 -10.736 6.920 761 2HE LYS 104 2HE LYS 104 5.694 -10.252 8.173 762 1HZ LYS 104 1HZ LYS 104 4.731 -12.153 9.062 763 2HZ LYS 104 2HZ LYS 104 3.182 -11.776 8.475 764 3HZ LYS 104 3HZ LYS 104 3.830 -10.911 9.785 765 H CYS 105 H CYS 105 -0.085 -6.243 5.541 766 HA CYS 105 HA CYS 105 0.300 -3.465 6.300 767 1HB CYS 105 1HB CYS 105 -0.065 -5.017 4.027 768 2HB CYS 105 2HB CYS 105 -1.575 -4.153 4.170 769 H HIS 106 H HIS 106 -2.264 -5.837 6.613 770 HA HIS 106 HA HIS 106 -4.061 -3.696 7.710 771 1HB HIS 106 1HB HIS 106 -4.455 -5.985 5.838 772 2HB HIS 106 2HB HIS 106 -5.788 -5.594 6.925 773 HD1 HIS 106 HD1 HIS 106 -5.205 -2.474 6.958 774 HD2 HIS 106 HD2 HIS 106 -5.664 -4.822 3.522 775 HE1 HIS 106 HE1 HIS 106 -5.772 -0.881 5.081 776 H SER 107 H SER 107 -2.791 -4.388 9.759 777 HA SER 107 HA SER 107 -3.436 -7.039 10.856 778 1HB SER 107 1HB SER 107 -2.347 -4.855 12.549 779 2HB SER 107 2HB SER 107 -1.772 -6.507 12.343 780 HG SER 107 HG SER 107 -0.294 -5.303 11.300 781 HHA HEC 201 HHA HEC 201 5.922 8.569 5.660 782 HHB HEC 201 HHB HEC 201 12.004 9.797 4.836 783 HHC HEC 201 HHC HEC 201 12.543 4.732 1.067 784 HHD HEC 201 HHD HEC 201 6.441 3.529 1.826 785 1HMA HEC 201 1HMA HEC 201 11.212 10.641 6.960 786 2HMA HEC 201 2HMA HEC 201 9.736 10.658 7.931 787 3HMA HEC 201 3HMA HEC 201 9.992 11.885 6.689 788 1HAA HEC 201 1HAA HEC 201 6.341 9.766 7.120 789 2HAA HEC 201 2HAA HEC 201 7.659 10.677 7.854 790 1HBA HEC 201 1HBA HEC 201 6.683 11.566 5.181 791 2HBA HEC 201 2HBA HEC 201 5.661 11.903 6.580 792 1HMB HEC 201 1HMB HEC 201 14.843 9.296 2.921 793 2HMB HEC 201 2HMB HEC 201 15.074 8.311 4.366 794 3HMB HEC 201 3HMB HEC 201 13.947 9.667 4.394 795 HAB HEC 201 HAB HEC 201 14.346 5.621 1.113 796 1HBB HEC 201 1HBB HEC 201 15.459 4.867 3.047 797 2HBB HEC 201 2HBB HEC 201 15.696 6.505 3.658 798 3HBB HEC 201 3HBB HEC 201 16.646 5.929 2.288 799 1HMC HEC 201 1HMC HEC 201 11.492 3.184 -0.916 800 2HMC HEC 201 2HMC HEC 201 10.837 1.675 -0.278 801 3HMC HEC 201 3HMC HEC 201 12.170 2.478 0.551 802 HAC HEC 201 HAC HEC 201 7.105 2.210 0.622 803 1HBC HEC 201 1HBC HEC 201 9.364 0.582 -0.470 804 2HBC HEC 201 2HBC HEC 201 7.812 0.049 0.174 805 3HBC HEC 201 3HBC HEC 201 9.088 0.572 1.270 806 1HMD HEC 201 1HMD HEC 201 4.621 3.290 3.072 807 2HMD HEC 201 2HMD HEC 201 3.786 3.967 4.469 808 3HMD HEC 201 3HMD HEC 201 3.387 4.530 2.844 809 1HAD HEC 201 1HAD HEC 201 4.243 7.828 5.612 810 2HAD HEC 201 2HAD HEC 201 3.216 7.332 4.273 811 1HBD HEC 201 1HBD HEC 201 2.714 5.243 5.306 812 2HBD HEC 201 2HBD HEC 201 4.009 5.440 6.487 813 HHA HEC 202 HHA HEC 202 1.572 7.713 -9.526 814 HHB HEC 202 HHB HEC 202 2.864 4.169 -4.865 815 HHC HEC 202 HHC HEC 202 4.331 9.010 -1.216 816 HHD HEC 202 HHD HEC 202 2.512 12.965 -5.893 817 1HMA HEC 202 1HMA HEC 202 1.128 3.197 -5.953 818 2HMA HEC 202 2HMA HEC 202 2.151 2.880 -7.354 819 3HMA HEC 202 3HMA HEC 202 0.447 3.276 -7.577 820 1HAA HEC 202 1HAA HEC 202 1.134 5.354 -10.063 821 2HAA HEC 202 2HAA HEC 202 0.028 4.461 -9.056 822 1HBA HEC 202 1HBA HEC 202 -1.279 6.498 -8.666 823 2HBA HEC 202 2HBA HEC 202 -0.182 7.402 -9.707 824 1HMB HEC 202 1HMB HEC 202 4.365 3.425 -3.361 825 2HMB HEC 202 2HMB HEC 202 4.854 3.843 -1.719 826 3HMB HEC 202 3HMB HEC 202 3.154 3.543 -2.085 827 HAB HEC 202 HAB HEC 202 3.962 7.025 0.074 828 1HBB HEC 202 1HBB HEC 202 6.299 5.600 0.367 829 2HBB HEC 202 2HBB HEC 202 6.217 7.343 0.120 830 3HBB HEC 202 3HBB HEC 202 6.479 6.268 -1.254 831 1HMC HEC 202 1HMC HEC 202 4.432 12.872 -1.000 832 2HMC HEC 202 2HMC HEC 202 4.057 11.272 -0.360 833 3HMC HEC 202 3HMC HEC 202 5.608 11.565 -1.148 834 HAC HEC 202 HAC HEC 202 2.567 14.064 -4.093 835 1HBC HEC 202 1HBC HEC 202 4.984 14.544 -3.959 836 2HBC HEC 202 2HBC HEC 202 4.985 14.143 -2.242 837 3HBC HEC 202 3HBC HEC 202 4.114 15.566 -2.815 838 1HMD HEC 202 1HMD HEC 202 2.719 13.564 -8.446 839 2HMD HEC 202 2HMD HEC 202 0.970 13.429 -8.258 840 3HMD HEC 202 3HMD HEC 202 1.730 12.982 -9.786 841 1HAD HEC 202 1HAD HEC 202 1.867 9.255 -10.743 842 2HAD HEC 202 2HAD HEC 202 1.020 10.785 -10.904 843 1HBD HEC 202 1HBD HEC 202 3.894 11.066 -10.352 844 2HBD HEC 202 2HBD HEC 202 3.531 10.265 -11.881 845 HHA HEC 203 HHA HEC 203 7.215 -6.910 4.593 846 HHB HEC 203 HHB HEC 203 2.894 -2.074 4.872 847 HHC HEC 203 HHC HEC 203 4.783 -0.066 -0.566 848 HHD HEC 203 HHD HEC 203 9.136 -4.591 -0.923 849 1HMA HEC 203 1HMA HEC 203 3.670 -3.247 7.523 850 2HMA HEC 203 2HMA HEC 203 3.311 -4.972 7.599 851 3HMA HEC 203 3HMA HEC 203 2.355 -3.917 6.559 852 1HAA HEC 203 1HAA HEC 203 4.998 -6.106 7.713 853 2HAA HEC 203 2HAA HEC 203 4.699 -7.312 6.469 854 1HBA HEC 203 1HBA HEC 203 6.900 -7.862 6.298 855 2HBA HEC 203 2HBA HEC 203 7.431 -6.189 6.471 856 1HMB HEC 203 1HMB HEC 203 2.691 0.699 4.784 857 2HMB HEC 203 2HMB HEC 203 1.607 0.929 3.412 858 3HMB HEC 203 3HMB HEC 203 1.537 -0.561 4.351 859 HAB HEC 203 HAB HEC 203 2.895 0.810 0.027 860 1HBB HEC 203 1HBB HEC 203 3.247 3.215 1.577 861 2HBB HEC 203 2HBB HEC 203 4.042 2.761 0.070 862 3HBB HEC 203 3HBB HEC 203 4.747 2.285 1.616 863 1HMC HEC 203 1HMC HEC 203 7.388 0.180 -2.752 864 2HMC HEC 203 2HMC HEC 203 6.310 -0.904 -3.630 865 3HMC HEC 203 3HMC HEC 203 5.668 0.139 -2.361 866 HAC HEC 203 HAC HEC 203 9.376 -3.495 -2.570 867 1HBC HEC 203 1HBC HEC 203 9.271 -0.899 -2.916 868 2HBC HEC 203 2HBC HEC 203 8.253 -1.301 -4.297 869 3HBC HEC 203 3HBC HEC 203 9.907 -1.906 -4.216 870 1HMD HEC 203 1HMD HEC 203 11.073 -6.904 1.128 871 2HMD HEC 203 2HMD HEC 203 10.479 -6.120 -0.337 872 3HMD HEC 203 3HMD HEC 203 10.008 -7.781 0.028 873 1HAD HEC 203 1HAD HEC 203 10.144 -7.818 3.410 874 2HAD HEC 203 2HAD HEC 203 8.525 -8.211 3.975 875 1HBD HEC 203 1HBD HEC 203 8.226 -9.837 2.406 876 2HBD HEC 203 2HBD HEC 203 9.093 -8.935 1.162 877 HHA HEC 204 HHA HEC 204 -6.721 2.230 3.780 878 HHB HEC 204 HHB HEC 204 -9.889 -2.043 0.534 879 HHC HEC 204 HHC HEC 204 -4.680 -5.888 0.897 880 HHD HEC 204 HHD HEC 204 -1.382 -0.921 2.622 881 1HMA HEC 204 1HMA HEC 204 -10.867 1.097 0.672 882 2HMA HEC 204 2HMA HEC 204 -11.583 0.557 2.192 883 3HMA HEC 204 3HMA HEC 204 -11.207 -0.615 0.929 884 1HAA HEC 204 1HAA HEC 204 -10.038 2.080 4.152 885 2HAA HEC 204 2HAA HEC 204 -8.507 2.859 3.760 886 1HBA HEC 204 1HBA HEC 204 -9.325 3.376 1.506 887 2HBA HEC 204 2HBA HEC 204 -10.837 2.546 1.853 888 1HMB HEC 204 1HMB HEC 204 -9.486 -4.667 -1.877 889 2HMB HEC 204 2HMB HEC 204 -10.351 -3.789 -0.617 890 3HMB HEC 204 3HMB HEC 204 -10.029 -5.512 -0.427 891 HAB HEC 204 HAB HEC 204 -6.320 -6.929 0.097 892 1HBB HEC 204 1HBB HEC 204 -5.407 -6.308 -1.974 893 2HBB HEC 204 2HBB HEC 204 -6.958 -5.738 -2.595 894 3HBB HEC 204 3HBB HEC 204 -6.661 -7.468 -2.414 895 1HMC HEC 204 1HMC HEC 204 -2.913 -6.614 1.376 896 2HMC HEC 204 2HMC HEC 204 -1.480 -6.054 0.514 897 3HMC HEC 204 3HMC HEC 204 -1.465 -6.158 2.275 898 HAC HEC 204 HAC HEC 204 -0.303 -2.427 2.867 899 1HBC HEC 204 1HBC HEC 204 0.296 -2.652 0.402 900 2HBC HEC 204 2HBC HEC 204 0.533 -4.376 0.693 901 3HBC HEC 204 3HBC HEC 204 1.549 -3.194 1.519 902 1HMD HEC 204 1HMD HEC 204 -1.456 2.703 3.267 903 2HMD HEC 204 2HMD HEC 204 -1.317 1.588 4.627 904 3HMD HEC 204 3HMD HEC 204 -0.825 1.075 3.013 905 1HAD HEC 204 1HAD HEC 204 -3.612 3.879 3.633 906 2HAD HEC 204 2HAD HEC 204 -5.275 3.504 4.069 907 1HBD HEC 204 1HBD HEC 204 -4.086 2.233 6.081 908 2HBD HEC 204 2HBD HEC 204 -2.808 3.400 5.743 Start of MODEL 5 1 1H ALA 1 1H ALA 1 20.450 14.470 0.595 2 2H ALA 1 2H ALA 1 19.525 15.219 1.807 3 3H ALA 1 3H ALA 1 18.763 14.301 0.597 4 HA ALA 1 HA ALA 1 19.714 12.272 1.434 5 1HB ALA 1 1HB ALA 1 21.477 12.311 2.960 6 2HB ALA 1 2HB ALA 1 20.971 13.852 3.655 7 3HB ALA 1 3HB ALA 1 21.775 13.813 2.085 8 HA PRO 2 HA PRO 2 16.064 13.280 3.985 9 1HB PRO 2 1HB PRO 2 14.695 11.010 3.307 10 2HB PRO 2 2HB PRO 2 14.679 12.477 2.317 11 1HG PRO 2 1HG PRO 2 16.232 9.969 1.955 12 2HG PRO 2 2HG PRO 2 15.473 11.010 0.742 13 1HD PRO 2 1HD PRO 2 18.149 11.021 1.283 14 2HD PRO 2 2HD PRO 2 17.267 12.425 0.645 15 H LYS 3 H LYS 3 15.586 12.447 6.050 16 HA LYS 3 HA LYS 3 17.280 10.147 6.931 17 1HB LYS 3 1HB LYS 3 15.784 12.179 8.586 18 2HB LYS 3 2HB LYS 3 17.093 11.122 9.105 19 1HG LYS 3 1HG LYS 3 18.677 12.283 7.676 20 2HG LYS 3 2HG LYS 3 17.387 13.263 6.981 21 1HD LYS 3 1HD LYS 3 16.919 14.135 9.308 22 2HD LYS 3 2HD LYS 3 18.389 13.315 9.838 23 1HE LYS 3 1HE LYS 3 19.709 14.945 8.969 24 2HE LYS 3 2HE LYS 3 18.827 14.928 7.429 25 1HZ LYS 3 1HZ LYS 3 16.956 15.964 8.908 26 2HZ LYS 3 2HZ LYS 3 18.174 16.948 8.249 27 3HZ LYS 3 3HZ LYS 3 18.262 16.455 9.872 28 H ALA 4 H ALA 4 15.789 8.568 6.126 29 HA ALA 4 HA ALA 4 13.077 8.246 6.389 30 1HB ALA 4 1HB ALA 4 15.144 6.658 5.738 31 2HB ALA 4 2HB ALA 4 13.540 6.005 6.072 32 3HB ALA 4 3HB ALA 4 14.780 5.980 7.326 33 HA PRO 5 HA PRO 5 12.349 8.475 10.729 34 1HB PRO 5 1HB PRO 5 9.704 7.762 10.670 35 2HB PRO 5 2HB PRO 5 10.300 9.364 10.207 36 1HG PRO 5 1HG PRO 5 9.313 7.171 8.509 37 2HG PRO 5 2HG PRO 5 9.377 8.908 8.199 38 1HD PRO 5 1HD PRO 5 11.143 6.946 7.194 39 2HD PRO 5 2HD PRO 5 11.314 8.706 7.067 40 H ALA 6 H ALA 6 11.682 7.032 12.516 41 HA ALA 6 HA ALA 6 12.810 4.461 12.409 42 1HB ALA 6 1HB ALA 6 10.721 5.741 14.189 43 2HB ALA 6 2HB ALA 6 12.458 5.639 14.477 44 3HB ALA 6 3HB ALA 6 11.465 4.183 14.552 45 H ASP 7 H ASP 7 11.666 2.391 12.675 46 HA ASP 7 HA ASP 7 9.649 1.961 10.636 47 1HB ASP 7 1HB ASP 7 10.551 0.075 12.823 48 2HB ASP 7 2HB ASP 7 10.012 -0.330 11.196 49 H GLY 8 H GLY 8 7.563 0.906 11.156 50 1HA GLY 8 1HA GLY 8 5.731 0.423 12.647 51 2HA GLY 8 2HA GLY 8 6.521 1.398 13.885 52 H LEU 9 H LEU 9 6.486 2.820 10.767 53 HA LEU 9 HA LEU 9 4.990 5.109 11.599 54 1HB LEU 9 1HB LEU 9 6.507 4.280 9.411 55 2HB LEU 9 2HB LEU 9 4.892 4.515 8.738 56 HG LEU 9 HG LEU 9 5.853 6.601 10.620 57 1HD1 LEU 9 1HD1 LEU 9 7.884 6.446 9.427 58 2HD1 LEU 9 2HD1 LEU 9 6.992 7.686 8.546 59 3HD1 LEU 9 3HD1 LEU 9 7.068 6.039 7.916 60 1HD2 LEU 9 1HD2 LEU 9 3.765 7.100 9.688 61 2HD2 LEU 9 2HD2 LEU 9 4.182 6.394 8.128 62 3HD2 LEU 9 3HD2 LEU 9 4.854 7.959 8.593 63 H LYS 10 H LYS 10 2.821 5.219 11.949 64 HA LYS 10 HA LYS 10 1.103 3.087 10.778 65 1HB LYS 10 1HB LYS 10 1.192 4.708 13.211 66 2HB LYS 10 2HB LYS 10 -0.421 4.625 12.499 67 1HG LYS 10 1HG LYS 10 0.149 2.056 12.262 68 2HG LYS 10 2HG LYS 10 1.292 2.405 13.561 69 1HD LYS 10 1HD LYS 10 -1.696 2.916 13.607 70 2HD LYS 10 2HD LYS 10 -0.824 1.703 14.544 71 1HE LYS 10 1HE LYS 10 0.561 3.876 15.324 72 2HE LYS 10 2HE LYS 10 -0.997 4.651 14.967 73 1HZ LYS 10 1HZ LYS 10 -1.863 2.483 16.177 74 2HZ LYS 10 2HZ LYS 10 -1.457 3.888 17.043 75 3HZ LYS 10 3HZ LYS 10 -0.356 2.597 16.947 76 H MET 11 H MET 11 0.197 3.622 8.875 77 HA MET 11 HA MET 11 -0.383 6.435 8.175 78 1HB MET 11 1HB MET 11 -1.214 5.147 6.049 79 2HB MET 11 2HB MET 11 0.515 5.190 6.378 80 1HG MET 11 1HG MET 11 -0.924 2.969 7.676 81 2HG MET 11 2HG MET 11 -0.919 2.908 5.916 82 1HE MET 11 1HE MET 11 1.628 3.982 4.792 83 2HE MET 11 2HE MET 11 0.851 2.435 4.471 84 3HE MET 11 3HE MET 11 2.581 2.492 4.797 85 H ASP 12 H ASP 12 -2.197 7.120 9.299 86 HA ASP 12 HA ASP 12 -4.573 5.293 9.339 87 1HB ASP 12 1HB ASP 12 -5.246 7.037 11.144 88 2HB ASP 12 2HB ASP 12 -3.955 5.903 11.521 89 H LYS 13 H LYS 13 -3.558 7.351 7.222 90 HA LYS 13 HA LYS 13 -5.225 9.578 6.985 91 1HB LYS 13 1HB LYS 13 -4.049 7.580 5.064 92 2HB LYS 13 2HB LYS 13 -4.990 8.945 4.468 93 1HG LYS 13 1HG LYS 13 -2.586 9.166 6.302 94 2HG LYS 13 2HG LYS 13 -2.551 9.450 4.562 95 1HD LYS 13 1HD LYS 13 -4.443 11.157 4.998 96 2HD LYS 13 2HD LYS 13 -3.967 11.047 6.693 97 1HE LYS 13 1HE LYS 13 -1.605 11.352 5.056 98 2HE LYS 13 2HE LYS 13 -2.759 12.653 4.703 99 1HZ LYS 13 1HZ LYS 13 -1.829 11.795 7.391 100 2HZ LYS 13 2HZ LYS 13 -3.057 12.936 7.117 101 3HZ LYS 13 3HZ LYS 13 -1.465 13.262 6.622 102 H THR 14 H THR 14 -6.002 6.184 6.534 103 HA THR 14 HA THR 14 -8.814 6.933 5.793 104 HB THR 14 HB THR 14 -8.783 4.524 4.901 105 HG1 THR 14 1HG THR 14 -7.010 3.708 5.889 106 1HG2 THR 14 1HG2 THR 14 -7.439 5.210 2.883 107 2HG2 THR 14 2HG2 THR 14 -6.962 6.659 3.769 108 3HG2 THR 14 3HG2 THR 14 -8.659 6.385 3.375 109 H LYS 15 H LYS 15 -10.342 4.980 6.483 110 HA LYS 15 HA LYS 15 -10.415 4.880 9.347 111 1HB LYS 15 1HB LYS 15 -11.858 3.775 7.008 112 2HB LYS 15 2HB LYS 15 -12.015 2.832 8.490 113 1HG LYS 15 1HG LYS 15 -13.541 4.313 9.224 114 2HG LYS 15 2HG LYS 15 -12.281 5.547 9.244 115 1HD LYS 15 1HD LYS 15 -12.785 5.630 6.641 116 2HD LYS 15 2HD LYS 15 -14.343 4.977 7.149 117 1HE LYS 15 1HE LYS 15 -14.928 6.903 8.303 118 2HE LYS 15 2HE LYS 15 -13.241 7.329 8.651 119 1HZ LYS 15 1HZ LYS 15 -13.683 8.760 6.934 120 2HZ LYS 15 2HZ LYS 15 -14.779 7.705 6.177 121 3HZ LYS 15 3HZ LYS 15 -13.106 7.426 6.059 122 H GLN 16 H GLN 16 -8.876 2.871 6.943 123 HA GLN 16 HA GLN 16 -8.275 0.775 8.987 124 1HB GLN 16 1HB GLN 16 -8.472 0.959 6.010 125 2HB GLN 16 2HB GLN 16 -7.339 -0.218 6.674 126 1HG GLN 16 1HG GLN 16 -9.293 -0.958 8.195 127 2HG GLN 16 2HG GLN 16 -10.324 -0.060 7.080 128 1HE2 GLN 16 2HE2 GLN 16 -10.610 -0.911 4.921 129 2HE2 GLN 16 1HE2 GLN 16 -10.056 -2.453 4.478 130 HA PRO 17 HA PRO 17 -4.470 3.372 8.785 131 1HB PRO 17 1HB PRO 17 -3.821 2.993 11.425 132 2HB PRO 17 2HB PRO 17 -4.911 4.277 10.861 133 1HG PRO 17 1HG PRO 17 -5.573 1.614 12.034 134 2HG PRO 17 2HG PRO 17 -6.314 3.194 12.339 135 1HD PRO 17 1HD PRO 17 -7.459 1.362 10.723 136 2HD PRO 17 2HD PRO 17 -7.605 3.111 10.428 137 H VAL 18 H VAL 18 -2.500 2.500 8.290 138 HA VAL 18 HA VAL 18 -1.981 -0.349 9.058 139 HB VAL 18 HB VAL 18 -1.489 1.303 6.576 140 1HG1 VAL 18 1HG1 VAL 18 0.596 0.140 7.041 141 2HG1 VAL 18 2HG1 VAL 18 -0.229 -0.674 5.711 142 3HG1 VAL 18 3HG1 VAL 18 -0.270 -1.368 7.332 143 1HG2 VAL 18 1HG2 VAL 18 -2.448 -1.138 5.815 144 2HG2 VAL 18 2HG2 VAL 18 -3.477 0.251 6.165 145 3HG2 VAL 18 3HG2 VAL 18 -3.197 -0.974 7.403 146 H VAL 19 H VAL 19 0.350 -0.866 9.284 147 HA VAL 19 HA VAL 19 1.922 1.476 10.292 148 HB VAL 19 HB VAL 19 1.972 -1.491 10.931 149 1HG1 VAL 19 1HG1 VAL 19 3.408 -0.399 12.905 150 2HG1 VAL 19 2HG1 VAL 19 3.774 0.782 11.648 151 3HG1 VAL 19 3HG1 VAL 19 4.161 -0.921 11.398 152 1HG2 VAL 19 1HG2 VAL 19 1.378 0.630 12.943 153 2HG2 VAL 19 2HG2 VAL 19 0.726 -1.004 12.807 154 3HG2 VAL 19 3HG2 VAL 19 0.124 0.277 11.753 155 H PHE 20 H PHE 20 3.592 2.049 8.914 156 HA PHE 20 HA PHE 20 4.654 -0.021 7.042 157 1HB PHE 20 1HB PHE 20 3.817 2.129 6.128 158 2HB PHE 20 2HB PHE 20 4.985 2.999 7.121 159 HD1 PHE 20 HD1 PHE 20 4.967 0.053 4.793 160 HD2 PHE 20 HD2 PHE 20 6.966 3.634 6.063 161 HE1 PHE 20 HE1 PHE 20 6.720 -0.311 3.077 162 HE2 PHE 20 HE2 PHE 20 8.710 3.270 4.345 163 HZ PHE 20 HZ PHE 20 8.591 1.299 2.853 164 H ASN 21 H ASN 21 6.529 -1.002 7.666 165 HA ASN 21 HA ASN 21 8.301 0.355 9.624 166 1HB ASN 21 1HB ASN 21 7.397 -2.312 8.979 167 2HB ASN 21 2HB ASN 21 9.152 -2.246 8.932 168 1HD2 ASN 21 2HD2 ASN 21 6.569 -0.851 11.041 169 2HD2 ASN 21 1HD2 ASN 21 7.344 -1.248 12.497 170 H HIS 22 H HIS 22 9.509 1.805 8.292 171 HA HIS 22 HA HIS 22 10.441 1.440 5.687 172 1HB HIS 22 1HB HIS 22 11.455 2.824 8.150 173 2HB HIS 22 2HB HIS 22 12.464 2.816 6.704 174 HD1 HIS 22 HD1 HIS 22 9.636 4.540 8.230 175 HD2 HIS 22 HD2 HIS 22 10.983 3.923 4.329 176 HE1 HIS 22 HE1 HIS 22 8.553 6.330 6.807 177 H SER 23 H SER 23 11.722 0.074 8.695 178 HA SER 23 HA SER 23 14.229 -0.887 7.874 179 1HB SER 23 1HB SER 23 13.878 -1.447 10.057 180 2HB SER 23 2HB SER 23 12.134 -1.541 9.836 181 HG SER 23 HG SER 23 14.116 -3.495 9.385 182 H THR 24 H THR 24 11.011 -2.344 7.369 183 HA THR 24 HA THR 24 12.016 -4.670 5.945 184 HB THR 24 HB THR 24 9.308 -4.076 5.289 185 HG1 THR 24 1HG THR 24 8.500 -3.580 7.327 186 1HG2 THR 24 1HG2 THR 24 9.605 -6.292 5.740 187 2HG2 THR 24 2HG2 THR 24 9.150 -5.807 7.374 188 3HG2 THR 24 3HG2 THR 24 10.853 -5.982 6.947 189 H HIS 25 H HIS 25 11.825 -1.419 5.114 190 HA HIS 25 HA HIS 25 11.650 -2.069 2.203 191 1HB HIS 25 1HB HIS 25 10.825 0.395 3.763 192 2HB HIS 25 2HB HIS 25 10.620 0.160 2.031 193 HD1 HIS 25 HD1 HIS 25 9.336 -1.034 5.349 194 HD2 HIS 25 HD2 HIS 25 8.563 -1.668 1.304 195 HE1 HIS 25 HE1 HIS 25 7.192 -2.375 5.232 196 H LYS 26 H LYS 26 13.628 -0.894 4.718 197 HA LYS 26 HA LYS 26 15.146 1.180 3.609 198 1HB LYS 26 1HB LYS 26 16.856 0.428 5.128 199 2HB LYS 26 2HB LYS 26 15.312 0.011 5.874 200 1HG LYS 26 1HG LYS 26 15.497 -2.286 5.050 201 2HG LYS 26 2HG LYS 26 17.000 -1.886 4.218 202 1HD LYS 26 1HD LYS 26 18.122 -1.442 6.312 203 2HD LYS 26 2HD LYS 26 16.610 -1.602 7.208 204 1HE LYS 26 1HE LYS 26 16.466 -3.991 6.421 205 2HE LYS 26 2HE LYS 26 18.086 -3.802 5.722 206 1HZ LYS 26 1HZ LYS 26 18.339 -4.617 7.940 207 2HZ LYS 26 2HZ LYS 26 17.307 -3.421 8.564 208 3HZ LYS 26 3HZ LYS 26 18.825 -2.993 7.933 209 H ALA 27 H ALA 27 14.941 -2.160 2.640 210 HA ALA 27 HA ALA 27 17.365 -2.013 0.944 211 1HB ALA 27 1HB ALA 27 15.351 -4.076 1.799 212 2HB ALA 27 2HB ALA 27 17.106 -4.106 1.966 213 3HB ALA 27 3HB ALA 27 16.366 -4.396 0.391 214 H VAL 28 H VAL 28 14.114 -1.135 0.717 215 HA VAL 28 HA VAL 28 13.688 -1.842 -2.100 216 HB VAL 28 HB VAL 28 12.255 -0.160 -0.033 217 1HG1 VAL 28 1HG1 VAL 28 10.365 -0.125 -1.683 218 2HG1 VAL 28 2HG1 VAL 28 11.480 -0.750 -2.898 219 3HG1 VAL 28 3HG1 VAL 28 11.756 0.837 -2.179 220 1HG2 VAL 28 1HG2 VAL 28 12.320 -2.725 0.076 221 2HG2 VAL 28 2HG2 VAL 28 11.351 -2.698 -1.398 222 3HG2 VAL 28 3HG2 VAL 28 10.722 -1.977 0.084 223 H LYS 29 H LYS 29 12.971 0.172 -3.527 224 HA LYS 29 HA LYS 29 15.290 1.998 -3.521 225 1HB LYS 29 1HB LYS 29 13.431 0.873 -5.408 226 2HB LYS 29 2HB LYS 29 13.447 2.631 -5.552 227 1HG LYS 29 1HG LYS 29 15.273 2.246 -6.864 228 2HG LYS 29 2HG LYS 29 16.099 2.163 -5.306 229 1HD LYS 29 1HD LYS 29 16.419 -0.086 -5.454 230 2HD LYS 29 2HD LYS 29 14.824 -0.361 -6.156 231 1HE LYS 29 1HE LYS 29 15.594 -0.154 -8.316 232 2HE LYS 29 2HE LYS 29 16.806 1.065 -7.873 233 1HZ LYS 29 1HZ LYS 29 18.147 -0.753 -8.128 234 2HZ LYS 29 2HZ LYS 29 16.946 -1.858 -7.656 235 3HZ LYS 29 3HZ LYS 29 17.754 -0.928 -6.487 236 H CYS 30 H CYS 30 15.020 3.591 -2.053 237 HA CYS 30 HA CYS 30 12.710 4.761 -1.012 238 1HB CYS 30 1HB CYS 30 15.457 5.807 -1.691 239 2HB CYS 30 2HB CYS 30 14.257 6.875 -0.967 240 H GLY 31 H GLY 31 14.038 5.042 -4.210 241 1HA GLY 31 1HA GLY 31 12.386 7.380 -4.903 242 2HA GLY 31 2HA GLY 31 13.490 6.532 -5.990 243 H ASP 32 H ASP 32 12.040 3.966 -4.825 244 HA ASP 32 HA ASP 32 10.136 3.792 -7.048 245 1HB ASP 32 1HB ASP 32 11.712 2.050 -5.614 246 2HB ASP 32 2HB ASP 32 10.115 1.720 -4.945 247 H CYS 33 H CYS 33 10.025 4.148 -3.531 248 HA CYS 33 HA CYS 33 7.062 4.101 -3.497 249 1HB CYS 33 1HB CYS 33 9.342 4.203 -1.537 250 2HB CYS 33 2HB CYS 33 7.754 4.745 -0.999 251 H HIS 34 H HIS 34 9.689 6.361 -2.582 252 HA HIS 34 HA HIS 34 7.826 8.665 -2.683 253 1HB HIS 34 1HB HIS 34 10.734 8.230 -1.943 254 2HB HIS 34 2HB HIS 34 9.989 9.825 -1.957 255 HD1 HIS 34 HD1 HIS 34 7.521 9.755 -0.512 256 HD2 HIS 34 HD2 HIS 34 10.556 7.102 0.548 257 HE1 HIS 34 HE1 HIS 34 7.044 9.029 1.867 258 H HIS 35 H HIS 35 8.519 7.165 -5.148 259 HA HIS 35 HA HIS 35 10.410 7.949 -6.883 260 1HB HIS 35 1HB HIS 35 8.580 8.062 -8.605 261 2HB HIS 35 2HB HIS 35 8.452 6.682 -7.528 262 HD1 HIS 35 HD1 HIS 35 7.030 10.086 -8.078 263 HD2 HIS 35 HD2 HIS 35 6.130 6.641 -5.940 264 HE1 HIS 35 HE1 HIS 35 4.717 10.438 -7.128 265 HA PRO 36 HA PRO 36 10.694 12.285 -7.337 266 1HB PRO 36 1HB PRO 36 11.031 12.561 -10.047 267 2HB PRO 36 2HB PRO 36 12.300 11.950 -8.965 268 1HG PRO 36 1HG PRO 36 10.415 10.436 -10.714 269 2HG PRO 36 2HG PRO 36 12.143 10.171 -10.425 270 1HD PRO 36 1HD PRO 36 10.238 8.683 -9.226 271 2HD PRO 36 2HD PRO 36 11.779 9.072 -8.429 272 H VAL 37 H VAL 37 8.958 13.641 -7.128 273 HA VAL 37 HA VAL 37 6.619 13.260 -8.953 274 HB VAL 37 HB VAL 37 7.043 14.177 -6.121 275 1HG1 VAL 37 1HG1 VAL 37 4.808 14.960 -7.980 276 2HG1 VAL 37 2HG1 VAL 37 5.652 15.946 -6.786 277 3HG1 VAL 37 3HG1 VAL 37 4.486 14.731 -6.261 278 1HG2 VAL 37 1HG2 VAL 37 6.517 11.790 -6.751 279 2HG2 VAL 37 2HG2 VAL 37 4.966 12.357 -7.371 280 3HG2 VAL 37 3HG2 VAL 37 5.344 12.522 -5.656 281 H ASN 38 H ASN 38 9.197 14.903 -9.285 282 HA ASN 38 HA ASN 38 8.128 17.101 -10.753 283 1HB ASN 38 1HB ASN 38 7.566 17.612 -8.261 284 2HB ASN 38 2HB ASN 38 9.272 17.945 -8.087 285 1HD2 ASN 38 2HD2 ASN 38 7.064 19.930 -7.919 286 2HD2 ASN 38 1HD2 ASN 38 7.376 21.075 -9.133 287 H GLY 39 H GLY 39 10.720 17.517 -8.437 288 1HA GLY 39 1HA GLY 39 12.729 17.036 -10.590 289 2HA GLY 39 2HA GLY 39 12.863 18.413 -9.487 290 H LYS 40 H LYS 40 11.469 16.075 -7.678 291 HA LYS 40 HA LYS 40 13.857 14.472 -7.046 292 1HB LYS 40 1HB LYS 40 13.949 15.447 -4.713 293 2HB LYS 40 2HB LYS 40 14.429 16.574 -5.984 294 1HG LYS 40 1HG LYS 40 12.034 17.410 -6.001 295 2HG LYS 40 2HG LYS 40 11.767 16.448 -4.548 296 1HD LYS 40 1HD LYS 40 13.761 17.660 -3.525 297 2HD LYS 40 2HD LYS 40 13.688 18.757 -4.904 298 1HE LYS 40 1HE LYS 40 11.446 18.244 -2.914 299 2HE LYS 40 2HE LYS 40 12.404 19.731 -3.061 300 1HZ LYS 40 1HZ LYS 40 11.696 19.824 -5.422 301 2HZ LYS 40 2HZ LYS 40 10.411 20.013 -4.327 302 3HZ LYS 40 3HZ LYS 40 10.639 18.531 -5.127 303 H GLU 41 H GLU 41 13.321 12.715 -5.655 304 HA GLU 41 HA GLU 41 10.616 11.780 -5.672 305 1HB GLU 41 1HB GLU 41 13.224 11.080 -4.416 306 2HB GLU 41 2HB GLU 41 11.780 10.307 -3.766 307 1HG GLU 41 1HG GLU 41 11.423 9.081 -5.665 308 2HG GLU 41 2HG GLU 41 12.000 10.367 -6.724 309 H ASP 42 H ASP 42 8.961 12.621 -4.448 310 HA ASP 42 HA ASP 42 9.349 14.361 -2.209 311 1HB ASP 42 1HB ASP 42 7.023 12.653 -3.123 312 2HB ASP 42 2HB ASP 42 6.902 13.892 -1.876 313 H TYR 43 H TYR 43 10.487 13.550 -0.463 314 HA TYR 43 HA TYR 43 10.059 10.772 0.444 315 1HB TYR 43 1HB TYR 43 11.822 13.053 1.399 316 2HB TYR 43 2HB TYR 43 11.900 11.402 2.015 317 HD1 TYR 43 HD1 TYR 43 12.924 13.660 -0.606 318 HD2 TYR 43 HD2 TYR 43 12.411 9.509 0.376 319 HE1 TYR 43 HE1 TYR 43 14.410 13.028 -2.489 320 HE2 TYR 43 HE2 TYR 43 13.894 8.879 -1.505 321 HH TYR 43 HH TYR 43 15.327 11.365 -3.626 322 H GLN 44 H GLN 44 7.649 11.845 0.827 323 HA GLN 44 HA GLN 44 7.557 12.463 3.757 324 1HB GLN 44 1HB GLN 44 5.684 14.063 3.127 325 2HB GLN 44 2HB GLN 44 7.287 14.549 2.572 326 1HG GLN 44 1HG GLN 44 6.817 13.575 0.354 327 2HG GLN 44 2HG GLN 44 5.211 13.094 0.906 328 1HE2 GLN 44 2HE2 GLN 44 6.895 16.171 1.650 329 2HE2 GLN 44 1HE2 GLN 44 5.750 17.164 0.884 330 H LYS 45 H LYS 45 5.230 12.127 4.584 331 HA LYS 45 HA LYS 45 4.339 9.525 4.338 332 1HB LYS 45 1HB LYS 45 3.096 12.156 4.990 333 2HB LYS 45 2HB LYS 45 2.016 10.778 4.795 334 1HG LYS 45 1HG LYS 45 3.768 9.572 6.357 335 2HG LYS 45 2HG LYS 45 4.167 11.220 6.835 336 1HD LYS 45 1HD LYS 45 1.278 10.468 6.729 337 2HD LYS 45 2HD LYS 45 2.242 9.847 8.070 338 1HE LYS 45 1HE LYS 45 1.604 11.888 8.981 339 2HE LYS 45 2HE LYS 45 3.070 12.412 8.128 340 1HZ LYS 45 1HZ LYS 45 1.765 12.962 6.207 341 2HZ LYS 45 2HZ LYS 45 1.097 13.758 7.551 342 3HZ LYS 45 3HZ LYS 45 0.351 12.364 6.929 343 H CYS 46 H CYS 46 3.523 8.359 2.671 344 HA CYS 46 HA CYS 46 3.203 9.074 0.046 345 1HB CYS 46 1HB CYS 46 1.446 7.232 1.691 346 2HB CYS 46 2HB CYS 46 1.612 7.170 -0.060 347 H ALA 47 H ALA 47 0.695 9.400 2.552 348 HA ALA 47 HA ALA 47 -1.069 10.817 0.622 349 1HB ALA 47 1HB ALA 47 -1.330 9.114 2.925 350 2HB ALA 47 2HB ALA 47 -2.577 9.631 1.789 351 3HB ALA 47 3HB ALA 47 -2.204 10.620 3.199 352 H THR 48 H THR 48 0.998 12.468 1.059 353 HA THR 48 HA THR 48 1.140 14.103 3.323 354 HB THR 48 HB THR 48 1.205 15.399 0.642 355 HG1 THR 48 1HG THR 48 3.288 14.146 0.416 356 1HG2 THR 48 1HG2 THR 48 2.205 16.050 3.053 357 2HG2 THR 48 2HG2 THR 48 2.979 16.538 1.545 358 3HG2 THR 48 3HG2 THR 48 3.570 15.127 2.425 359 H ALA 49 H ALA 49 0.391 16.662 2.776 360 HA ALA 49 HA ALA 49 -2.476 16.634 3.256 361 1HB ALA 49 1HB ALA 49 -0.263 18.645 3.005 362 2HB ALA 49 2HB ALA 49 -1.325 18.325 4.375 363 3HB ALA 49 3HB ALA 49 -1.932 19.216 2.979 364 H GLY 50 H GLY 50 -0.418 17.217 0.466 365 1HA GLY 50 1HA GLY 50 -2.887 17.550 -1.189 366 2HA GLY 50 2HA GLY 50 -1.467 18.558 -1.469 367 H CYS 51 H CYS 51 -1.856 15.087 -0.813 368 HA CYS 51 HA CYS 51 -0.558 14.492 -3.436 369 1HB CYS 51 1HB CYS 51 0.834 14.661 -1.147 370 2HB CYS 51 2HB CYS 51 0.313 13.005 -0.994 371 H HIS 52 H HIS 52 -0.481 11.741 -1.621 372 HA HIS 52 HA HIS 52 -2.817 10.587 -2.952 373 1HB HIS 52 1HB HIS 52 -0.758 9.635 -0.960 374 2HB HIS 52 2HB HIS 52 -2.050 8.593 -1.517 375 HD1 HIS 52 HD1 HIS 52 -2.187 8.995 -4.389 376 HD2 HIS 52 HD2 HIS 52 1.480 9.012 -2.442 377 HE1 HIS 52 HE1 HIS 52 -0.446 8.425 -6.149 378 H ASP 53 H ASP 53 -3.798 12.655 -1.403 379 HA ASP 53 HA ASP 53 -4.776 11.410 1.129 380 1HB ASP 53 1HB ASP 53 -5.342 13.779 1.673 381 2HB ASP 53 2HB ASP 53 -3.637 13.577 1.269 382 H ASN 54 H ASN 54 -5.878 10.907 -1.717 383 HA ASN 54 HA ASN 54 -8.520 12.196 -1.659 384 1HB ASN 54 1HB ASN 54 -6.840 10.971 -3.538 385 2HB ASN 54 2HB ASN 54 -8.209 9.870 -3.389 386 1HD2 ASN 54 2HD2 ASN 54 -9.749 10.367 -4.944 387 2HD2 ASN 54 1HD2 ASN 54 -10.183 11.935 -5.426 388 H MET 55 H MET 55 -9.802 11.484 0.041 389 HA MET 55 HA MET 55 -9.720 8.730 1.006 390 1HB MET 55 1HB MET 55 -11.617 11.041 1.536 391 2HB MET 55 2HB MET 55 -11.458 9.592 2.527 392 1HG MET 55 1HG MET 55 -9.084 11.360 1.946 393 2HG MET 55 2HG MET 55 -10.169 11.692 3.297 394 1HE MET 55 1HE MET 55 -6.688 10.306 4.167 395 2HE MET 55 2HE MET 55 -7.827 10.858 5.393 396 3HE MET 55 3HE MET 55 -7.713 11.715 3.858 397 H ASP 56 H ASP 56 -10.334 8.631 -1.720 398 HA ASP 56 HA ASP 56 -13.269 8.007 -1.739 399 1HB ASP 56 1HB ASP 56 -12.150 9.867 -3.213 400 2HB ASP 56 2HB ASP 56 -11.569 8.507 -4.175 401 H LYS 57 H LYS 57 -10.070 6.764 -2.058 402 HA LYS 57 HA LYS 57 -9.255 4.626 -2.637 403 1HB LYS 57 1HB LYS 57 -12.081 3.801 -1.976 404 2HB LYS 57 2HB LYS 57 -10.604 2.883 -1.707 405 1HG LYS 57 1HG LYS 57 -10.115 4.007 0.211 406 2HG LYS 57 2HG LYS 57 -10.694 5.546 -0.418 407 1HD LYS 57 1HD LYS 57 -12.758 3.458 0.036 408 2HD LYS 57 2HD LYS 57 -12.028 4.158 1.479 409 1HE LYS 57 1HE LYS 57 -12.535 6.447 0.552 410 2HE LYS 57 2HE LYS 57 -13.432 5.655 -0.758 411 1HZ LYS 57 1HZ LYS 57 -14.785 4.520 0.871 412 2HZ LYS 57 2HZ LYS 57 -14.873 6.196 1.137 413 3HZ LYS 57 3HZ LYS 57 -13.912 5.222 2.144 414 H LYS 58 H LYS 58 -11.012 6.282 -4.657 415 HA LYS 58 HA LYS 58 -11.171 4.084 -6.667 416 1HB LYS 58 1HB LYS 58 -13.340 6.107 -6.018 417 2HB LYS 58 2HB LYS 58 -13.416 4.915 -7.315 418 1HG LYS 58 1HG LYS 58 -13.351 3.089 -5.727 419 2HG LYS 58 2HG LYS 58 -13.057 4.204 -4.392 420 1HD LYS 58 1HD LYS 58 -15.247 5.202 -4.658 421 2HD LYS 58 2HD LYS 58 -15.539 4.272 -6.128 422 1HE LYS 58 1HE LYS 58 -14.854 2.364 -4.161 423 2HE LYS 58 2HE LYS 58 -15.995 3.479 -3.384 424 1HZ LYS 58 1HZ LYS 58 -17.174 3.313 -5.691 425 2HZ LYS 58 2HZ LYS 58 -17.439 2.123 -4.508 426 3HZ LYS 58 3HZ LYS 58 -16.359 1.828 -5.786 427 H ASP 59 H ASP 59 -9.878 6.992 -5.885 428 HA ASP 59 HA ASP 59 -10.335 8.741 -8.057 429 1HB ASP 59 1HB ASP 59 -8.971 8.953 -5.852 430 2HB ASP 59 2HB ASP 59 -7.636 8.280 -6.787 431 H LYS 60 H LYS 60 -8.710 5.682 -7.998 432 HA LYS 60 HA LYS 60 -7.308 4.610 -9.594 433 1HB LYS 60 1HB LYS 60 -9.741 5.814 -10.808 434 2HB LYS 60 2HB LYS 60 -8.530 5.197 -11.934 435 1HG LYS 60 1HG LYS 60 -10.263 3.495 -11.229 436 2HG LYS 60 2HG LYS 60 -8.596 3.012 -10.920 437 1HD LYS 60 1HD LYS 60 -8.898 3.977 -8.573 438 2HD LYS 60 2HD LYS 60 -10.624 4.050 -8.933 439 1HE LYS 60 1HE LYS 60 -9.028 1.497 -9.281 440 2HE LYS 60 2HE LYS 60 -9.829 1.915 -7.752 441 1HZ LYS 60 1HZ LYS 60 -11.016 1.343 -10.374 442 2HZ LYS 60 2HZ LYS 60 -11.799 2.462 -9.364 443 3HZ LYS 60 3HZ LYS 60 -11.538 0.870 -8.831 444 H SER 61 H SER 61 -6.539 7.456 -8.904 445 HA SER 61 HA SER 61 -5.046 8.056 -11.434 446 1HB SER 61 1HB SER 61 -6.978 9.590 -9.967 447 2HB SER 61 2HB SER 61 -5.419 10.401 -9.844 448 HG SER 61 HG SER 61 -7.060 10.441 -11.869 449 H ALA 62 H ALA 62 -3.250 9.861 -10.613 450 HA ALA 62 HA ALA 62 -1.584 8.363 -8.698 451 1HB ALA 62 1HB ALA 62 -0.045 9.194 -10.124 452 2HB ALA 62 2HB ALA 62 -0.403 10.815 -9.527 453 3HB ALA 62 3HB ALA 62 -1.282 10.171 -10.915 454 H LYS 63 H LYS 63 -4.067 9.988 -7.872 455 HA LYS 63 HA LYS 63 -2.682 11.636 -5.783 456 1HB LYS 63 1HB LYS 63 -4.092 12.627 -7.887 457 2HB LYS 63 2HB LYS 63 -5.392 12.422 -6.711 458 1HG LYS 63 1HG LYS 63 -4.566 14.610 -6.310 459 2HG LYS 63 2HG LYS 63 -3.836 13.621 -5.045 460 1HD LYS 63 1HD LYS 63 -1.990 14.810 -5.845 461 2HD LYS 63 2HD LYS 63 -1.891 13.316 -6.778 462 1HE LYS 63 1HE LYS 63 -1.695 14.908 -8.482 463 2HE LYS 63 2HE LYS 63 -3.455 14.673 -8.464 464 1HZ LYS 63 1HZ LYS 63 -3.635 16.483 -6.861 465 2HZ LYS 63 2HZ LYS 63 -2.912 17.023 -8.299 466 3HZ LYS 63 3HZ LYS 63 -1.958 16.730 -6.924 467 H GLY 64 H GLY 64 -4.586 8.977 -6.366 468 1HA GLY 64 1HA GLY 64 -6.418 9.320 -4.098 469 2HA GLY 64 2HA GLY 64 -6.309 7.899 -5.132 470 H TYR 65 H TYR 65 -6.241 8.183 -2.155 471 HA TYR 65 HA TYR 65 -3.525 7.502 -1.325 472 1HB TYR 65 1HB TYR 65 -5.306 8.688 0.029 473 2HB TYR 65 2HB TYR 65 -6.162 7.148 0.125 474 HD1 TYR 65 HD1 TYR 65 -5.913 6.279 2.280 475 HD2 TYR 65 HD2 TYR 65 -2.516 7.999 0.296 476 HE1 TYR 65 HE1 TYR 65 -4.455 5.559 4.153 477 HE2 TYR 65 HE2 TYR 65 -1.059 7.282 2.171 478 HH TYR 65 HH TYR 65 -0.943 6.153 4.075 479 H TYR 66 H TYR 66 -6.609 5.680 -1.415 480 HA TYR 66 HA TYR 66 -5.379 3.150 -0.798 481 1HB TYR 66 1HB TYR 66 -7.605 3.206 -0.247 482 2HB TYR 66 2HB TYR 66 -8.006 4.295 -1.568 483 HD1 TYR 66 HD1 TYR 66 -7.670 3.211 -3.994 484 HD2 TYR 66 HD2 TYR 66 -8.373 1.027 -0.367 485 HE1 TYR 66 HE1 TYR 66 -8.517 1.286 -5.319 486 HE2 TYR 66 HE2 TYR 66 -9.211 -0.900 -1.685 487 HH TYR 66 HH TYR 66 -8.629 -1.465 -4.688 488 H HIS 67 H HIS 67 -5.949 4.903 -3.793 489 HA HIS 67 HA HIS 67 -5.809 2.740 -5.661 490 1HB HIS 67 1HB HIS 67 -6.510 4.886 -6.406 491 2HB HIS 67 2HB HIS 67 -5.097 5.676 -5.703 492 HD1 HIS 67 HD1 HIS 67 -5.920 3.148 -8.425 493 HD2 HIS 67 HD2 HIS 67 -2.983 5.954 -7.487 494 HE1 HIS 67 HE1 HIS 67 -4.291 3.153 -10.361 495 H ALA 68 H ALA 68 -3.172 5.069 -5.057 496 HA ALA 68 HA ALA 68 -1.077 3.630 -6.206 497 1HB ALA 68 1HB ALA 68 0.075 4.904 -4.046 498 2HB ALA 68 2HB ALA 68 -1.463 5.753 -4.203 499 3HB ALA 68 3HB ALA 68 -0.348 5.688 -5.568 500 H MET 69 H MET 69 -2.784 2.831 -3.283 501 HA MET 69 HA MET 69 -0.565 1.191 -2.226 502 1HB MET 69 1HB MET 69 -3.394 1.740 -1.311 503 2HB MET 69 2HB MET 69 -2.192 0.855 -0.378 504 1HG MET 69 1HG MET 69 -1.130 3.380 -1.345 505 2HG MET 69 2HG MET 69 -2.575 3.622 -0.367 506 1HE MET 69 1HE MET 69 1.472 3.391 0.811 507 2HE MET 69 2HE MET 69 0.365 4.714 1.167 508 3HE MET 69 3HE MET 69 0.494 4.102 -0.481 509 H HIS 70 H HIS 70 -3.876 0.643 -3.494 510 HA HIS 70 HA HIS 70 -3.357 -2.277 -3.410 511 1HB HIS 70 1HB HIS 70 -5.835 -0.732 -4.208 512 2HB HIS 70 2HB HIS 70 -5.751 -2.428 -3.729 513 HD1 HIS 70 HD1 HIS 70 -6.007 0.992 -2.374 514 HD2 HIS 70 HD2 HIS 70 -5.109 -2.801 -0.904 515 HE1 HIS 70 HE1 HIS 70 -6.172 1.147 0.146 516 H ASP 71 H ASP 71 -3.400 0.352 -5.654 517 HA ASP 71 HA ASP 71 -4.004 -1.262 -8.016 518 1HB ASP 71 1HB ASP 71 -3.002 1.540 -7.475 519 2HB ASP 71 2HB ASP 71 -3.310 0.936 -9.096 520 H LYS 72 H LYS 72 -2.518 -2.649 -8.864 521 HA LYS 72 HA LYS 72 0.331 -2.452 -8.229 522 1HB LYS 72 1HB LYS 72 -1.206 -4.220 -10.157 523 2HB LYS 72 2HB LYS 72 0.419 -4.524 -9.544 524 1HG LYS 72 1HG LYS 72 -0.499 -5.608 -7.800 525 2HG LYS 72 2HG LYS 72 -1.191 -4.074 -7.270 526 1HD LYS 72 1HD LYS 72 -3.055 -5.526 -7.494 527 2HD LYS 72 2HD LYS 72 -3.079 -4.535 -8.954 528 1HE LYS 72 1HE LYS 72 -2.261 -6.288 -10.307 529 2HE LYS 72 2HE LYS 72 -1.635 -7.191 -8.914 530 1HZ LYS 72 1HZ LYS 72 -3.905 -7.866 -9.929 531 2HZ LYS 72 2HZ LYS 72 -4.500 -6.526 -9.068 532 3HZ LYS 72 3HZ LYS 72 -3.739 -7.801 -8.242 533 H GLY 73 H GLY 73 -1.605 -2.241 -11.225 534 1HA GLY 73 1HA GLY 73 0.620 -1.475 -12.888 535 2HA GLY 73 2HA GLY 73 -1.083 -1.280 -13.309 536 H THR 74 H THR 74 1.134 0.108 -10.868 537 HA THR 74 HA THR 74 -0.084 2.787 -11.408 538 HB THR 74 HB THR 74 1.083 3.195 -9.129 539 HG1 THR 74 1HG THR 74 0.958 0.423 -8.861 540 1HG2 THR 74 1HG2 THR 74 -1.284 2.985 -9.137 541 2HG2 THR 74 2HG2 THR 74 -0.725 1.815 -7.939 542 3HG2 THR 74 3HG2 THR 74 -1.205 1.271 -9.548 543 H LYS 75 H LYS 75 1.402 4.635 -11.496 544 HA LYS 75 HA LYS 75 3.520 4.616 -13.233 545 1HB LYS 75 1HB LYS 75 2.378 6.495 -11.789 546 2HB LYS 75 2HB LYS 75 3.690 6.183 -10.657 547 1HG LYS 75 1HG LYS 75 4.129 8.031 -12.348 548 2HG LYS 75 2HG LYS 75 5.351 6.764 -12.282 549 1HD LYS 75 1HD LYS 75 3.183 6.141 -14.149 550 2HD LYS 75 2HD LYS 75 4.042 7.622 -14.572 551 1HE LYS 75 1HE LYS 75 5.823 5.417 -13.749 552 2HE LYS 75 2HE LYS 75 4.917 5.104 -15.242 553 1HZ LYS 75 1HZ LYS 75 6.242 7.700 -14.725 554 2HZ LYS 75 2HZ LYS 75 5.679 7.082 -16.204 555 3HZ LYS 75 3HZ LYS 75 7.062 6.418 -15.475 556 H PHE 76 H PHE 76 3.706 3.907 -9.750 557 HA PHE 76 HA PHE 76 6.423 2.704 -10.200 558 1HB PHE 76 1HB PHE 76 5.329 4.104 -7.743 559 2HB PHE 76 2HB PHE 76 6.968 3.505 -7.959 560 HD1 PHE 76 HD1 PHE 76 8.446 4.560 -9.714 561 HD2 PHE 76 HD2 PHE 76 4.603 6.160 -8.661 562 HE1 PHE 76 HE1 PHE 76 9.036 6.706 -10.810 563 HE2 PHE 76 HE2 PHE 76 5.192 8.303 -9.752 564 HZ PHE 76 HZ PHE 76 7.404 8.570 -10.825 565 H LYS 77 H LYS 77 6.896 1.102 -8.259 566 HA LYS 77 HA LYS 77 4.721 -0.827 -8.213 567 1HB LYS 77 1HB LYS 77 6.283 -2.088 -6.808 568 2HB LYS 77 2HB LYS 77 7.115 -1.439 -8.220 569 1HG LYS 77 1HG LYS 77 7.608 0.596 -6.633 570 2HG LYS 77 2HG LYS 77 7.288 -0.576 -5.355 571 1HD LYS 77 1HD LYS 77 9.397 -0.727 -7.522 572 2HD LYS 77 2HD LYS 77 9.648 -0.684 -5.777 573 1HE LYS 77 1HE LYS 77 9.467 -2.938 -5.648 574 2HE LYS 77 2HE LYS 77 7.915 -2.905 -6.510 575 1HZ LYS 77 1HZ LYS 77 10.023 -3.963 -7.619 576 2HZ LYS 77 2HZ LYS 77 10.371 -2.347 -8.013 577 3HZ LYS 77 3HZ LYS 77 8.922 -3.060 -8.540 578 H SER 78 H SER 78 3.025 -0.496 -6.992 579 HA SER 78 HA SER 78 2.934 1.325 -4.729 580 1HB SER 78 1HB SER 78 0.545 0.153 -4.729 581 2HB SER 78 2HB SER 78 0.994 1.302 -5.987 582 HG SER 78 HG SER 78 0.282 -1.196 -6.294 583 H CYS 79 H CYS 79 1.647 0.447 -2.717 584 HA CYS 79 HA CYS 79 3.262 -1.354 -1.241 585 1HB CYS 79 1HB CYS 79 0.313 -0.722 -0.912 586 2HB CYS 79 2HB CYS 79 1.422 -1.222 0.361 587 H VAL 80 H VAL 80 -0.081 -1.995 -2.333 588 HA VAL 80 HA VAL 80 0.140 -4.863 -2.070 589 HB VAL 80 HB VAL 80 -1.724 -2.930 -3.454 590 1HG1 VAL 80 1HG1 VAL 80 -1.434 -5.761 -3.954 591 2HG1 VAL 80 2HG1 VAL 80 -2.520 -4.602 -4.723 592 3HG1 VAL 80 3HG1 VAL 80 -3.010 -5.422 -3.238 593 1HG2 VAL 80 1HG2 VAL 80 -2.841 -4.702 -1.435 594 2HG2 VAL 80 2HG2 VAL 80 -2.805 -2.940 -1.463 595 3HG2 VAL 80 3HG2 VAL 80 -1.440 -3.838 -0.802 596 H GLY 81 H GLY 81 0.746 -2.570 -4.683 597 1HA GLY 81 1HA GLY 81 0.897 -4.497 -6.819 598 2HA GLY 81 2HA GLY 81 1.599 -2.878 -6.851 599 H CYS 82 H CYS 82 3.306 -3.102 -4.603 600 HA CYS 82 HA CYS 82 5.524 -4.626 -5.781 601 1HB CYS 82 1HB CYS 82 5.529 -2.343 -4.535 602 2HB CYS 82 2HB CYS 82 5.417 -3.303 -3.062 603 H HIS 83 H HIS 83 3.102 -5.011 -3.349 604 HA HIS 83 HA HIS 83 4.394 -7.103 -1.814 605 1HB HIS 83 1HB HIS 83 1.727 -5.777 -2.077 606 2HB HIS 83 2HB HIS 83 1.796 -7.301 -1.211 607 HD1 HIS 83 HD1 HIS 83 1.344 -5.994 1.054 608 HD2 HIS 83 HD2 HIS 83 4.893 -4.963 -0.873 609 HE1 HIS 83 HE1 HIS 83 2.736 -4.738 2.749 610 H LEU 84 H LEU 84 1.657 -7.169 -4.168 611 HA LEU 84 HA LEU 84 1.354 -9.953 -4.381 612 1HB LEU 84 1HB LEU 84 0.486 -7.574 -5.600 613 2HB LEU 84 2HB LEU 84 1.144 -8.545 -6.912 614 HG LEU 84 HG LEU 84 -0.673 -9.799 -4.884 615 1HD1 LEU 84 1HD1 LEU 84 -1.578 -8.343 -7.386 616 2HD1 LEU 84 2HD1 LEU 84 -1.802 -7.745 -5.742 617 3HD1 LEU 84 3HD1 LEU 84 -2.609 -9.225 -6.260 618 1HD2 LEU 84 1HD2 LEU 84 -0.626 -11.550 -6.325 619 2HD2 LEU 84 2HD2 LEU 84 0.731 -10.728 -7.094 620 3HD2 LEU 84 3HD2 LEU 84 -0.902 -10.506 -7.720 621 H GLU 85 H GLU 85 3.767 -7.802 -5.807 622 HA GLU 85 HA GLU 85 4.906 -9.899 -7.528 623 1HB GLU 85 1HB GLU 85 5.486 -7.022 -6.833 624 2HB GLU 85 2HB GLU 85 6.648 -7.966 -7.767 625 1HG GLU 85 1HG GLU 85 4.035 -8.419 -8.851 626 2HG GLU 85 2HG GLU 85 4.287 -6.678 -8.707 627 H THR 86 H THR 86 6.039 -8.001 -4.697 628 HA THR 86 HA THR 86 8.483 -9.351 -4.258 629 HB THR 86 HB THR 86 6.470 -7.886 -2.565 630 HG1 THR 86 1HG THR 86 7.828 -6.640 -3.773 631 1HG2 THR 86 1HG2 THR 86 9.050 -9.075 -1.511 632 2HG2 THR 86 2HG2 THR 86 7.443 -9.703 -1.146 633 3HG2 THR 86 3HG2 THR 86 7.901 -8.087 -0.608 634 H ALA 87 H ALA 87 5.234 -10.455 -3.862 635 HA ALA 87 HA ALA 87 5.928 -12.615 -1.974 636 1HB ALA 87 1HB ALA 87 3.516 -11.420 -3.255 637 2HB ALA 87 2HB ALA 87 3.769 -11.903 -1.577 638 3HB ALA 87 3HB ALA 87 3.401 -13.120 -2.799 639 H GLY 88 H GLY 88 5.196 -12.190 -5.408 640 1HA GLY 88 1HA GLY 88 5.477 -13.640 -7.230 641 2HA GLY 88 2HA GLY 88 6.687 -14.462 -6.244 642 H ALA 89 H ALA 89 6.114 -16.594 -6.578 643 HA ALA 89 HA ALA 89 3.292 -17.439 -6.415 644 1HB ALA 89 1HB ALA 89 5.302 -18.249 -7.922 645 2HB ALA 89 2HB ALA 89 4.111 -19.414 -7.343 646 3HB ALA 89 3HB ALA 89 5.667 -19.262 -6.527 647 H ASP 90 H ASP 90 4.053 -16.323 -3.981 648 HA ASP 90 HA ASP 90 4.433 -18.711 -2.219 649 1HB ASP 90 1HB ASP 90 6.279 -17.113 -2.161 650 2HB ASP 90 2HB ASP 90 5.161 -15.788 -1.857 651 H ALA 91 H ALA 91 2.074 -18.944 -2.440 652 HA ALA 91 HA ALA 91 -0.008 -17.244 -1.933 653 1HB ALA 91 1HB ALA 91 -1.155 -19.178 -1.008 654 2HB ALA 91 2HB ALA 91 0.380 -19.917 -0.550 655 3HB ALA 91 3HB ALA 91 -0.043 -19.745 -2.254 656 H ALA 92 H ALA 92 2.448 -18.185 0.384 657 HA ALA 92 HA ALA 92 1.028 -17.192 2.736 658 1HB ALA 92 1HB ALA 92 3.234 -18.795 2.172 659 2HB ALA 92 2HB ALA 92 2.770 -18.230 3.776 660 3HB ALA 92 3HB ALA 92 3.957 -17.330 2.832 661 H LYS 93 H LYS 93 3.508 -16.021 0.510 662 HA LYS 93 HA LYS 93 3.901 -13.472 1.848 663 1HB LYS 93 1HB LYS 93 4.726 -14.936 -0.587 664 2HB LYS 93 2HB LYS 93 4.789 -13.184 -0.716 665 1HG LYS 93 1HG LYS 93 6.091 -13.159 1.446 666 2HG LYS 93 2HG LYS 93 6.154 -14.920 1.354 667 1HD LYS 93 1HD LYS 93 7.217 -14.700 -0.912 668 2HD LYS 93 2HD LYS 93 7.289 -12.955 -0.657 669 1HE LYS 93 1HE LYS 93 9.288 -13.308 0.366 670 2HE LYS 93 2HE LYS 93 8.378 -14.066 1.688 671 1HZ LYS 93 1HZ LYS 93 10.070 -15.541 0.608 672 2HZ LYS 93 2HZ LYS 93 9.126 -15.493 -0.804 673 3HZ LYS 93 3HZ LYS 93 8.493 -16.164 0.623 674 H LYS 94 H LYS 94 1.669 -14.782 -0.494 675 HA LYS 94 HA LYS 94 0.794 -12.211 -1.575 676 1HB LYS 94 1HB LYS 94 0.305 -15.065 -1.900 677 2HB LYS 94 2HB LYS 94 -1.202 -14.149 -1.947 678 1HG LYS 94 1HG LYS 94 0.364 -12.555 -3.488 679 2HG LYS 94 2HG LYS 94 1.082 -14.128 -3.839 680 1HD LYS 94 1HD LYS 94 -1.562 -14.754 -3.986 681 2HD LYS 94 2HD LYS 94 -1.597 -13.080 -4.540 682 1HE LYS 94 1HE LYS 94 -0.497 -13.574 -6.486 683 2HE LYS 94 2HE LYS 94 0.577 -14.743 -5.692 684 1HZ LYS 94 1HZ LYS 94 -2.272 -15.135 -6.430 685 2HZ LYS 94 2HZ LYS 94 -1.406 -16.202 -5.431 686 3HZ LYS 94 3HZ LYS 94 -0.931 -15.971 -7.046 687 H LYS 95 H LYS 95 -0.035 -14.219 1.172 688 HA LYS 95 HA LYS 95 -2.546 -12.764 1.723 689 1HB LYS 95 1HB LYS 95 -2.832 -14.437 3.377 690 2HB LYS 95 2HB LYS 95 -1.959 -15.272 2.093 691 1HG LYS 95 1HG LYS 95 -0.461 -15.838 3.690 692 2HG LYS 95 2HG LYS 95 0.079 -14.161 3.602 693 1HD LYS 95 1HD LYS 95 -1.805 -13.657 5.292 694 2HD LYS 95 2HD LYS 95 -1.858 -15.401 5.556 695 1HE LYS 95 1HE LYS 95 0.624 -15.330 6.038 696 2HE LYS 95 2HE LYS 95 0.516 -13.558 5.990 697 1HZ LYS 95 1HZ LYS 95 -0.663 -15.439 7.904 698 2HZ LYS 95 2HZ LYS 95 -1.542 -14.035 7.529 699 3HZ LYS 95 3HZ LYS 95 0.025 -13.913 8.177 700 H GLU 96 H GLU 96 0.813 -12.603 2.527 701 HA GLU 96 HA GLU 96 0.365 -10.931 4.939 702 1HB GLU 96 1HB GLU 96 2.762 -11.230 5.188 703 2HB GLU 96 2HB GLU 96 2.076 -12.778 4.732 704 1HG GLU 96 1HG GLU 96 2.732 -12.432 2.429 705 2HG GLU 96 2HG GLU 96 3.328 -10.816 2.815 706 H LEU 97 H LEU 97 1.845 -10.745 1.733 707 HA LEU 97 HA LEU 97 2.454 -7.896 1.921 708 1HB LEU 97 1HB LEU 97 2.361 -9.816 -0.416 709 2HB LEU 97 2HB LEU 97 3.190 -8.259 -0.385 710 HG LEU 97 HG LEU 97 3.856 -10.758 1.166 711 1HD1 LEU 97 1HD1 LEU 97 5.255 -8.935 -0.776 712 2HD1 LEU 97 2HD1 LEU 97 4.985 -10.673 -0.901 713 3HD1 LEU 97 3HD1 LEU 97 6.156 -10.045 0.258 714 1HD2 LEU 97 1HD2 LEU 97 4.816 -7.923 1.674 715 2HD2 LEU 97 2HD2 LEU 97 5.516 -9.369 2.403 716 3HD2 LEU 97 3HD2 LEU 97 3.856 -8.907 2.778 717 H THR 98 H THR 98 0.347 -9.666 -0.367 718 HA THR 98 HA THR 98 -1.202 -7.190 -0.816 719 HB THR 98 HB THR 98 -2.294 -8.676 -2.538 720 HG1 THR 98 1HG THR 98 -1.549 -10.722 -2.759 721 1HG2 THR 98 1HG2 THR 98 0.137 -7.428 -2.570 722 2HG2 THR 98 2HG2 THR 98 -0.596 -8.199 -3.975 723 3HG2 THR 98 3HG2 THR 98 0.592 -9.074 -3.007 724 H GLY 99 H GLY 99 -1.479 -10.113 1.025 725 1HA GLY 99 1HA GLY 99 -4.224 -10.546 1.173 726 2HA GLY 99 2HA GLY 99 -3.154 -10.715 2.567 727 H CYS 100 H CYS 100 -5.894 -9.238 1.719 728 HA CYS 100 HA CYS 100 -5.374 -6.547 2.731 729 1HB CYS 100 1HB CYS 100 -8.130 -7.546 2.765 730 2HB CYS 100 2HB CYS 100 -7.480 -6.137 1.973 731 H LYS 101 H LYS 101 -7.556 -9.103 3.901 732 HA LYS 101 HA LYS 101 -7.187 -8.030 6.647 733 1HB LYS 101 1HB LYS 101 -9.109 -10.151 5.650 734 2HB LYS 101 2HB LYS 101 -9.256 -9.170 7.109 735 1HG LYS 101 1HG LYS 101 -9.317 -7.129 5.592 736 2HG LYS 101 2HG LYS 101 -9.482 -8.245 4.236 737 1HD LYS 101 1HD LYS 101 -11.399 -9.232 5.873 738 2HD LYS 101 2HD LYS 101 -11.444 -7.534 6.348 739 1HE LYS 101 1HE LYS 101 -11.348 -7.259 3.641 740 2HE LYS 101 2HE LYS 101 -12.241 -8.787 3.780 741 1HZ LYS 101 1HZ LYS 101 -12.857 -6.279 5.254 742 2HZ LYS 101 2HZ LYS 101 -13.692 -7.750 5.415 743 3HZ LYS 101 3HZ LYS 101 -13.745 -6.897 3.947 744 H GLY 102 H GLY 102 -5.512 -9.003 7.737 745 1HA GLY 102 1HA GLY 102 -4.864 -11.044 8.982 746 2HA GLY 102 2HA GLY 102 -5.297 -11.979 7.550 747 H SER 103 H SER 103 -3.880 -9.337 6.285 748 HA SER 103 HA SER 103 -1.358 -10.745 5.777 749 1HB SER 103 1HB SER 103 -1.015 -8.830 4.265 750 2HB SER 103 2HB SER 103 -2.627 -9.496 4.059 751 HG SER 103 HG SER 103 -2.113 -7.045 4.501 752 H LYS 104 H LYS 104 0.214 -8.314 5.547 753 HA LYS 104 HA LYS 104 0.941 -7.934 8.419 754 1HB LYS 104 1HB LYS 104 2.311 -7.493 5.749 755 2HB LYS 104 2HB LYS 104 3.047 -7.086 7.297 756 1HG LYS 104 1HG LYS 104 1.987 -9.782 7.360 757 2HG LYS 104 2HG LYS 104 3.111 -9.589 6.015 758 1HD LYS 104 1HD LYS 104 4.890 -8.960 7.431 759 2HD LYS 104 2HD LYS 104 3.805 -8.578 8.769 760 1HE LYS 104 1HE LYS 104 3.577 -11.369 7.863 761 2HE LYS 104 2HE LYS 104 5.178 -10.958 8.512 762 1HZ LYS 104 1HZ LYS 104 3.464 -11.601 10.217 763 2HZ LYS 104 2HZ LYS 104 2.648 -10.160 9.838 764 3HZ LYS 104 3HZ LYS 104 4.222 -10.107 10.478 765 H CYS 105 H CYS 105 -0.129 -6.385 5.521 766 HA CYS 105 HA CYS 105 0.366 -3.645 6.360 767 1HB CYS 105 1HB CYS 105 -0.095 -5.090 4.045 768 2HB CYS 105 2HB CYS 105 -1.592 -4.216 4.263 769 H HIS 106 H HIS 106 -2.281 -5.940 6.656 770 HA HIS 106 HA HIS 106 -3.981 -3.766 7.846 771 1HB HIS 106 1HB HIS 106 -4.484 -6.063 6.009 772 2HB HIS 106 2HB HIS 106 -5.770 -5.634 7.138 773 HD1 HIS 106 HD1 HIS 106 -5.176 -2.538 7.135 774 HD2 HIS 106 HD2 HIS 106 -5.685 -4.888 3.709 775 HE1 HIS 106 HE1 HIS 106 -5.757 -0.944 5.261 776 H SER 107 H SER 107 -2.380 -4.709 9.709 777 HA SER 107 HA SER 107 -2.977 -7.243 10.903 778 1HB SER 107 1HB SER 107 -0.979 -5.904 11.382 779 2HB SER 107 2HB SER 107 -1.977 -4.618 12.054 780 HG SER 107 HG SER 107 -1.199 -5.916 13.717 781 HHA HEC 201 HHA HEC 201 5.959 8.685 5.718 782 HHB HEC 201 HHB HEC 201 12.083 9.791 4.856 783 HHC HEC 201 HHC HEC 201 12.520 4.733 1.100 784 HHD HEC 201 HHD HEC 201 6.398 3.670 1.834 785 1HMA HEC 201 1HMA HEC 201 11.327 10.559 7.054 786 2HMA HEC 201 2HMA HEC 201 9.827 10.760 7.963 787 3HMA HEC 201 3HMA HEC 201 10.243 11.900 6.682 788 1HAA HEC 201 1HAA HEC 201 6.440 9.895 7.195 789 2HAA HEC 201 2HAA HEC 201 7.780 10.803 7.897 790 1HBA HEC 201 1HBA HEC 201 6.778 11.633 5.211 791 2HBA HEC 201 2HBA HEC 201 5.802 12.042 6.622 792 1HMB HEC 201 1HMB HEC 201 14.033 9.575 4.484 793 2HMB HEC 201 2HMB HEC 201 14.929 9.189 3.015 794 3HMB HEC 201 3HMB HEC 201 15.118 8.185 4.451 795 HAB HEC 201 HAB HEC 201 14.370 5.518 1.223 796 1HBB HEC 201 1HBB HEC 201 15.571 6.281 3.859 797 2HBB HEC 201 2HBB HEC 201 16.656 5.884 2.527 798 3HBB HEC 201 3HBB HEC 201 15.479 4.697 3.088 799 1HMC HEC 201 1HMC HEC 201 10.648 1.995 -0.636 800 2HMC HEC 201 2HMC HEC 201 11.901 3.214 -0.412 801 3HMC HEC 201 3HMC HEC 201 11.718 1.911 0.762 802 HAC HEC 201 HAC HEC 201 7.032 2.304 0.653 803 1HBC HEC 201 1HBC HEC 201 9.597 0.779 0.612 804 2HBC HEC 201 2HBC HEC 201 8.269 0.202 -0.395 805 3HBC HEC 201 3HBC HEC 201 8.052 0.355 1.348 806 1HMD HEC 201 1HMD HEC 201 3.362 4.663 2.920 807 2HMD HEC 201 2HMD HEC 201 3.785 4.090 4.535 808 3HMD HEC 201 3HMD HEC 201 4.596 3.420 3.120 809 1HAD HEC 201 1HAD HEC 201 4.237 7.983 5.624 810 2HAD HEC 201 2HAD HEC 201 3.229 7.482 4.271 811 1HBD HEC 201 1HBD HEC 201 2.678 5.417 5.319 812 2HBD HEC 201 2HBD HEC 201 3.961 5.601 6.514 813 HHA HEC 202 HHA HEC 202 1.498 7.664 -9.481 814 HHB HEC 202 HHB HEC 202 2.746 4.141 -4.776 815 HHC HEC 202 HHC HEC 202 4.467 9.001 -1.219 816 HHD HEC 202 HHD HEC 202 2.838 12.916 -5.812 817 1HMA HEC 202 1HMA HEC 202 0.253 3.302 -7.366 818 2HMA HEC 202 2HMA HEC 202 0.988 3.251 -5.765 819 3HMA HEC 202 3HMA HEC 202 1.943 2.830 -7.187 820 1HAA HEC 202 1HAA HEC 202 0.954 5.246 -9.955 821 2HAA HEC 202 2HAA HEC 202 -0.151 4.447 -8.875 822 1HBA HEC 202 1HBA HEC 202 -1.408 6.504 -8.566 823 2HBA HEC 202 2HBA HEC 202 -0.263 7.382 -9.576 824 1HMB HEC 202 1HMB HEC 202 2.981 3.620 -1.892 825 2HMB HEC 202 2HMB HEC 202 4.726 3.746 -1.673 826 3HMB HEC 202 3HMB HEC 202 4.063 3.335 -3.255 827 HAB HEC 202 HAB HEC 202 4.160 7.030 0.118 828 1HBB HEC 202 1HBB HEC 202 6.548 6.287 -1.254 829 2HBB HEC 202 2HBB HEC 202 6.321 5.154 0.078 830 3HBB HEC 202 3HBB HEC 202 6.391 6.888 0.397 831 1HMC HEC 202 1HMC HEC 202 3.978 12.009 -0.530 832 2HMC HEC 202 2HMC HEC 202 5.436 11.081 -0.877 833 3HMC HEC 202 3HMC HEC 202 5.320 12.763 -1.390 834 HAC HEC 202 HAC HEC 202 2.323 13.822 -3.666 835 1HBC HEC 202 1HBC HEC 202 4.991 14.605 -2.504 836 2HBC HEC 202 2HBC HEC 202 3.734 13.912 -1.480 837 3HBC HEC 202 3HBC HEC 202 3.437 15.421 -2.343 838 1HMD HEC 202 1HMD HEC 202 2.103 12.951 -9.811 839 2HMD HEC 202 2HMD HEC 202 2.935 13.499 -8.355 840 3HMD HEC 202 3HMD HEC 202 1.174 13.397 -8.380 841 1HAD HEC 202 1HAD HEC 202 1.855 9.220 -10.764 842 2HAD HEC 202 2HAD HEC 202 1.157 10.824 -10.917 843 1HBD HEC 202 1HBD HEC 202 3.704 11.540 -10.509 844 2HBD HEC 202 2HBD HEC 202 3.985 9.945 -11.205 845 HHA HEC 203 HHA HEC 203 7.135 -6.903 4.640 846 HHB HEC 203 HHB HEC 203 2.770 -2.122 4.926 847 HHC HEC 203 HHC HEC 203 4.715 0.015 -0.435 848 HHD HEC 203 HHD HEC 203 9.024 -4.552 -0.889 849 1HMA HEC 203 1HMA HEC 203 2.229 -3.941 6.553 850 2HMA HEC 203 2HMA HEC 203 3.535 -3.459 7.636 851 3HMA HEC 203 3HMA HEC 203 3.075 -5.158 7.510 852 1HAA HEC 203 1HAA HEC 203 4.827 -6.214 7.702 853 2HAA HEC 203 2HAA HEC 203 4.653 -7.395 6.411 854 1HBA HEC 203 1HBA HEC 203 6.876 -7.853 6.367 855 2HBA HEC 203 2HBA HEC 203 7.325 -6.158 6.562 856 1HMB HEC 203 1HMB HEC 203 2.615 0.626 4.941 857 2HMB HEC 203 2HMB HEC 203 1.581 0.995 3.561 858 3HMB HEC 203 3HMB HEC 203 1.409 -0.543 4.405 859 HAB HEC 203 HAB HEC 203 2.833 0.837 0.120 860 1HBB HEC 203 1HBB HEC 203 4.597 2.365 1.639 861 2HBB HEC 203 2HBB HEC 203 3.044 3.158 1.903 862 3HBB HEC 203 3HBB HEC 203 3.661 2.954 0.265 863 1HMC HEC 203 1HMC HEC 203 6.163 -0.744 -3.464 864 2HMC HEC 203 2HMC HEC 203 5.742 0.355 -2.151 865 3HMC HEC 203 3HMC HEC 203 7.417 0.221 -2.686 866 HAC HEC 203 HAC HEC 203 9.215 -3.518 -2.516 867 1HBC HEC 203 1HBC HEC 203 8.574 -1.325 -4.355 868 2HBC HEC 203 2HBC HEC 203 10.130 -1.784 -3.669 869 3HBC HEC 203 3HBC HEC 203 9.031 -0.751 -2.754 870 1HMD HEC 203 1HMD HEC 203 11.070 -6.453 0.992 871 2HMD HEC 203 2HMD HEC 203 10.157 -6.294 -0.509 872 3HMD HEC 203 3HMD HEC 203 10.124 -7.813 0.386 873 1HAD HEC 203 1HAD HEC 203 10.166 -7.930 3.116 874 2HAD HEC 203 2HAD HEC 203 8.767 -7.938 4.184 875 1HBD HEC 203 1HBD HEC 203 7.622 -9.109 2.081 876 2HBD HEC 203 2HBD HEC 203 9.291 -9.562 1.735 877 HHA HEC 204 HHA HEC 204 -6.718 2.200 3.902 878 HHB HEC 204 HHB HEC 204 -9.973 -2.261 0.874 879 HHC HEC 204 HHC HEC 204 -4.711 -5.926 0.930 880 HHD HEC 204 HHD HEC 204 -1.394 -0.980 2.689 881 1HMA HEC 204 1HMA HEC 204 -10.922 0.957 0.853 882 2HMA HEC 204 2HMA HEC 204 -11.605 0.534 2.424 883 3HMA HEC 204 3HMA HEC 204 -11.285 -0.727 1.233 884 1HAA HEC 204 1HAA HEC 204 -10.145 2.149 4.107 885 2HAA HEC 204 2HAA HEC 204 -8.530 2.822 3.887 886 1HBA HEC 204 1HBA HEC 204 -9.090 3.144 1.444 887 2HBA HEC 204 2HBA HEC 204 -10.742 2.676 1.829 888 1HMB HEC 204 1HMB HEC 204 -10.373 -3.804 -0.465 889 2HMB HEC 204 2HMB HEC 204 -10.179 -5.506 -0.043 890 3HMB HEC 204 3HMB HEC 204 -9.563 -4.903 -1.581 891 HAB HEC 204 HAB HEC 204 -6.334 -6.993 0.246 892 1HBB HEC 204 1HBB HEC 204 -6.857 -7.557 -2.224 893 2HBB HEC 204 2HBB HEC 204 -5.604 -6.360 -1.894 894 3HBB HEC 204 3HBB HEC 204 -7.214 -5.838 -2.392 895 1HMC HEC 204 1HMC HEC 204 -2.916 -6.647 1.454 896 2HMC HEC 204 2HMC HEC 204 -1.535 -6.062 0.527 897 3HMC HEC 204 3HMC HEC 204 -1.432 -6.181 2.284 898 HAC HEC 204 HAC HEC 204 -0.327 -2.479 2.983 899 1HBC HEC 204 1HBC HEC 204 1.517 -3.178 1.593 900 2HBC HEC 204 2HBC HEC 204 0.242 -2.628 0.505 901 3HBC HEC 204 3HBC HEC 204 0.509 -4.353 0.746 902 1HMD HEC 204 1HMD HEC 204 -0.845 1.049 3.107 903 2HMD HEC 204 2HMD HEC 204 -1.479 2.660 3.443 904 3HMD HEC 204 3HMD HEC 204 -1.304 1.489 4.751 905 1HAD HEC 204 1HAD HEC 204 -3.622 3.845 3.668 906 2HAD HEC 204 2HAD HEC 204 -5.272 3.489 4.162 907 1HBD HEC 204 1HBD HEC 204 -4.116 2.339 6.217 908 2HBD HEC 204 2HBD HEC 204 -2.748 3.359 5.773 Start of MODEL 6 1 1H ALA 1 1H ALA 1 19.526 15.659 2.051 2 2H ALA 1 2H ALA 1 21.019 14.942 1.674 3 3H ALA 1 3H ALA 1 20.478 14.988 3.284 4 HA ALA 1 HA ALA 1 19.140 13.485 1.089 5 1HB ALA 1 1HB ALA 1 20.352 11.624 1.823 6 2HB ALA 1 2HB ALA 1 20.637 12.319 3.419 7 3HB ALA 1 3HB ALA 1 21.543 12.908 2.025 8 HA PRO 2 HA PRO 2 15.800 13.409 3.956 9 1HB PRO 2 1HB PRO 2 14.551 11.129 3.112 10 2HB PRO 2 2HB PRO 2 14.491 12.651 2.209 11 1HG PRO 2 1HG PRO 2 16.157 10.237 1.734 12 2HG PRO 2 2HG PRO 2 15.382 11.320 0.568 13 1HD PRO 2 1HD PRO 2 18.045 11.404 1.183 14 2HD PRO 2 2HD PRO 2 17.121 12.805 0.597 15 H LYS 3 H LYS 3 15.705 12.661 6.053 16 HA LYS 3 HA LYS 3 17.310 10.266 6.764 17 1HB LYS 3 1HB LYS 3 15.916 12.436 8.337 18 2HB LYS 3 2HB LYS 3 16.811 11.109 9.072 19 1HG LYS 3 1HG LYS 3 18.494 12.199 7.071 20 2HG LYS 3 2HG LYS 3 17.837 13.565 7.973 21 1HD LYS 3 1HD LYS 3 18.670 12.741 10.040 22 2HD LYS 3 2HD LYS 3 18.983 11.142 9.365 23 1HE LYS 3 1HE LYS 3 21.019 11.770 8.562 24 2HE LYS 3 2HE LYS 3 20.386 13.308 7.941 25 1HZ LYS 3 1HZ LYS 3 20.516 14.298 10.031 26 2HZ LYS 3 2HZ LYS 3 21.963 13.414 9.930 27 3HZ LYS 3 3HZ LYS 3 20.661 12.815 10.842 28 H ALA 4 H ALA 4 15.833 8.707 5.902 29 HA ALA 4 HA ALA 4 13.130 8.338 6.178 30 1HB ALA 4 1HB ALA 4 13.626 6.137 5.715 31 2HB ALA 4 2HB ALA 4 14.831 6.036 6.999 32 3HB ALA 4 3HB ALA 4 15.240 6.805 5.466 33 HA PRO 5 HA PRO 5 12.460 8.447 10.533 34 1HB PRO 5 1HB PRO 5 9.823 7.705 10.492 35 2HB PRO 5 2HB PRO 5 10.393 9.329 10.076 36 1HG PRO 5 1HG PRO 5 9.451 7.157 8.309 37 2HG PRO 5 2HG PRO 5 9.403 8.907 8.082 38 1HD PRO 5 1HD PRO 5 11.226 7.151 6.894 39 2HD PRO 5 2HD PRO 5 11.368 8.917 6.969 40 H ALA 6 H ALA 6 11.851 6.937 12.280 41 HA ALA 6 HA ALA 6 12.993 4.371 12.037 42 1HB ALA 6 1HB ALA 6 12.818 5.100 14.216 43 2HB ALA 6 2HB ALA 6 11.360 4.109 14.164 44 3HB ALA 6 3HB ALA 6 11.248 5.855 13.943 45 H ASP 7 H ASP 7 11.563 2.362 12.712 46 HA ASP 7 HA ASP 7 9.608 1.953 10.554 47 1HB ASP 7 1HB ASP 7 10.468 0.062 12.754 48 2HB ASP 7 2HB ASP 7 9.900 -0.342 11.136 49 H GLY 8 H GLY 8 7.488 0.969 11.112 50 1HA GLY 8 1HA GLY 8 5.680 0.551 12.658 51 2HA GLY 8 2HA GLY 8 6.501 1.566 13.844 52 H LEU 9 H LEU 9 6.442 2.871 10.673 53 HA LEU 9 HA LEU 9 4.993 5.206 11.430 54 1HB LEU 9 1HB LEU 9 6.391 4.218 9.208 55 2HB LEU 9 2HB LEU 9 4.758 4.519 8.610 56 HG LEU 9 HG LEU 9 5.891 6.609 10.379 57 1HD1 LEU 9 1HD1 LEU 9 7.024 7.556 8.219 58 2HD1 LEU 9 2HD1 LEU 9 7.027 5.874 7.685 59 3HD1 LEU 9 3HD1 LEU 9 7.886 6.335 9.155 60 1HD2 LEU 9 1HD2 LEU 9 3.753 7.059 9.429 61 2HD2 LEU 9 2HD2 LEU 9 4.256 6.483 7.839 62 3HD2 LEU 9 3HD2 LEU 9 4.887 8.009 8.460 63 H LYS 10 H LYS 10 2.843 5.358 11.856 64 HA LYS 10 HA LYS 10 1.067 3.166 10.918 65 1HB LYS 10 1HB LYS 10 1.212 5.059 13.159 66 2HB LYS 10 2HB LYS 10 -0.417 4.822 12.522 67 1HG LYS 10 1HG LYS 10 0.111 2.299 12.606 68 2HG LYS 10 2HG LYS 10 1.469 2.749 13.641 69 1HD LYS 10 1HD LYS 10 -0.689 4.182 14.686 70 2HD LYS 10 2HD LYS 10 -1.369 2.604 14.287 71 1HE LYS 10 1HE LYS 10 0.323 1.470 15.615 72 2HE LYS 10 2HE LYS 10 1.176 2.999 15.902 73 1HZ LYS 10 1HZ LYS 10 -0.891 3.871 16.887 74 2HZ LYS 10 2HZ LYS 10 -0.264 2.555 17.758 75 3HZ LYS 10 3HZ LYS 10 -1.600 2.339 16.731 76 H MET 11 H MET 11 0.159 3.528 8.973 77 HA MET 11 HA MET 11 -0.420 6.237 7.981 78 1HB MET 11 1HB MET 11 -0.345 3.429 7.027 79 2HB MET 11 2HB MET 11 -1.560 4.444 6.247 80 1HG MET 11 1HG MET 11 0.292 6.158 5.893 81 2HG MET 11 2HG MET 11 1.423 4.898 6.387 82 1HE MET 11 1HE MET 11 0.581 5.910 2.421 83 2HE MET 11 2HE MET 11 2.106 5.782 3.292 84 3HE MET 11 3HE MET 11 0.792 6.742 3.967 85 H ASP 12 H ASP 12 -2.182 7.169 9.040 86 HA ASP 12 HA ASP 12 -4.585 5.418 9.462 87 1HB ASP 12 1HB ASP 12 -5.059 7.349 11.154 88 2HB ASP 12 2HB ASP 12 -3.816 6.167 11.547 89 H LYS 13 H LYS 13 -3.593 7.417 7.192 90 HA LYS 13 HA LYS 13 -5.319 9.602 6.938 91 1HB LYS 13 1HB LYS 13 -4.066 7.610 5.076 92 2HB LYS 13 2HB LYS 13 -5.135 8.847 4.420 93 1HG LYS 13 1HG LYS 13 -2.664 9.325 6.113 94 2HG LYS 13 2HG LYS 13 -2.821 9.654 4.385 95 1HD LYS 13 1HD LYS 13 -4.961 11.032 5.318 96 2HD LYS 13 2HD LYS 13 -3.875 11.176 6.701 97 1HE LYS 13 1HE LYS 13 -2.074 11.826 4.914 98 2HE LYS 13 2HE LYS 13 -3.479 12.169 3.885 99 1HZ LYS 13 1HZ LYS 13 -3.589 13.100 6.648 100 2HZ LYS 13 2HZ LYS 13 -4.197 13.822 5.236 101 3HZ LYS 13 3HZ LYS 13 -2.543 13.937 5.607 102 H THR 14 H THR 14 -6.037 6.183 6.644 103 HA THR 14 HA THR 14 -8.866 6.840 5.876 104 HB THR 14 HB THR 14 -8.813 4.433 5.064 105 HG1 THR 14 1HG THR 14 -7.023 3.844 6.395 106 1HG2 THR 14 1HG2 THR 14 -6.730 6.302 3.902 107 2HG2 THR 14 2HG2 THR 14 -8.457 6.359 3.550 108 3HG2 THR 14 3HG2 THR 14 -7.502 4.960 3.059 109 H LYS 15 H LYS 15 -10.362 4.917 6.681 110 HA LYS 15 HA LYS 15 -10.362 4.926 9.563 111 1HB LYS 15 1HB LYS 15 -11.905 3.777 7.299 112 2HB LYS 15 2HB LYS 15 -12.056 2.919 8.832 113 1HG LYS 15 1HG LYS 15 -13.560 4.479 9.454 114 2HG LYS 15 2HG LYS 15 -12.226 5.634 9.514 115 1HD LYS 15 1HD LYS 15 -12.738 6.545 7.457 116 2HD LYS 15 2HD LYS 15 -13.426 5.041 6.844 117 1HE LYS 15 1HE LYS 15 -15.493 5.403 7.904 118 2HE LYS 15 2HE LYS 15 -14.796 6.534 9.081 119 1HZ LYS 15 1HZ LYS 15 -15.039 6.981 6.152 120 2HZ LYS 15 2HZ LYS 15 -14.279 8.041 7.241 121 3HZ LYS 15 3HZ LYS 15 -15.949 7.755 7.355 122 H GLN 16 H GLN 16 -8.987 2.832 7.141 123 HA GLN 16 HA GLN 16 -8.334 0.752 9.185 124 1HB GLN 16 1HB GLN 16 -8.184 0.831 6.150 125 2HB GLN 16 2HB GLN 16 -7.781 -0.574 7.137 126 1HG GLN 16 1HG GLN 16 -10.410 0.616 7.739 127 2HG GLN 16 2HG GLN 16 -10.275 -0.068 6.119 128 1HE2 GLN 16 2HE2 GLN 16 -8.747 -1.149 9.198 129 2HE2 GLN 16 1HE2 GLN 16 -9.412 -2.710 9.153 130 HA PRO 17 HA PRO 17 -4.520 3.304 8.789 131 1HB PRO 17 1HB PRO 17 -3.740 2.925 11.391 132 2HB PRO 17 2HB PRO 17 -4.855 4.210 10.882 133 1HG PRO 17 1HG PRO 17 -5.462 1.547 12.084 134 2HG PRO 17 2HG PRO 17 -6.181 3.128 12.431 135 1HD PRO 17 1HD PRO 17 -7.415 1.307 10.873 136 2HD PRO 17 2HD PRO 17 -7.566 3.057 10.587 137 H VAL 18 H VAL 18 -2.578 2.424 8.180 138 HA VAL 18 HA VAL 18 -1.985 -0.398 9.000 139 HB VAL 18 HB VAL 18 -1.716 1.130 6.407 140 1HG1 VAL 18 1HG1 VAL 18 -0.498 -1.568 7.049 141 2HG1 VAL 18 2HG1 VAL 18 0.417 -0.065 6.945 142 3HG1 VAL 18 3HG1 VAL 18 -0.397 -0.703 5.516 143 1HG2 VAL 18 1HG2 VAL 18 -3.319 -1.120 7.478 144 2HG2 VAL 18 2HG2 VAL 18 -2.694 -1.356 5.846 145 3HG2 VAL 18 3HG2 VAL 18 -3.714 0.037 6.206 146 H VAL 19 H VAL 19 0.102 -0.754 9.761 147 HA VAL 19 HA VAL 19 1.793 1.622 10.231 148 HB VAL 19 HB VAL 19 1.929 -1.285 11.082 149 1HG1 VAL 19 1HG1 VAL 19 3.637 1.116 11.741 150 2HG1 VAL 19 2HG1 VAL 19 4.156 -0.488 11.224 151 3HG1 VAL 19 3HG1 VAL 19 3.508 -0.251 12.847 152 1HG2 VAL 19 1HG2 VAL 19 1.428 0.925 13.003 153 2HG2 VAL 19 2HG2 VAL 19 0.724 -0.691 12.938 154 3HG2 VAL 19 3HG2 VAL 19 0.122 0.577 11.870 155 H PHE 20 H PHE 20 3.505 2.095 8.877 156 HA PHE 20 HA PHE 20 4.462 -0.047 7.020 157 1HB PHE 20 1HB PHE 20 3.655 2.033 5.997 158 2HB PHE 20 2HB PHE 20 4.747 2.981 7.002 159 HD1 PHE 20 HD1 PHE 20 4.861 0.043 4.674 160 HD2 PHE 20 HD2 PHE 20 6.816 3.597 6.078 161 HE1 PHE 20 HE1 PHE 20 6.674 -0.296 3.019 162 HE2 PHE 20 HE2 PHE 20 8.622 3.259 4.421 163 HZ PHE 20 HZ PHE 20 8.555 1.313 2.890 164 H ASN 21 H ASN 21 6.343 -1.036 7.666 165 HA ASN 21 HA ASN 21 8.128 0.348 9.582 166 1HB ASN 21 1HB ASN 21 7.243 -2.324 8.945 167 2HB ASN 21 2HB ASN 21 8.997 -2.246 8.895 168 1HD2 ASN 21 2HD2 ASN 21 6.414 -0.849 11.001 169 2HD2 ASN 21 1HD2 ASN 21 7.193 -1.239 12.459 170 H HIS 22 H HIS 22 9.364 1.795 8.296 171 HA HIS 22 HA HIS 22 10.327 1.454 5.692 172 1HB HIS 22 1HB HIS 22 11.270 2.827 8.184 173 2HB HIS 22 2HB HIS 22 12.354 2.792 6.794 174 HD1 HIS 22 HD1 HIS 22 9.515 4.600 8.167 175 HD2 HIS 22 HD2 HIS 22 10.989 3.884 4.331 176 HE1 HIS 22 HE1 HIS 22 8.527 6.388 6.675 177 H SER 23 H SER 23 11.595 0.105 8.723 178 HA SER 23 HA SER 23 14.093 -0.876 7.927 179 1HB SER 23 1HB SER 23 13.397 -1.146 10.179 180 2HB SER 23 2HB SER 23 11.885 -1.916 9.707 181 HG SER 23 HG SER 23 14.413 -2.973 10.018 182 H THR 24 H THR 24 10.884 -2.363 7.423 183 HA THR 24 HA THR 24 11.892 -4.684 6.013 184 HB THR 24 HB THR 24 9.213 -4.076 5.276 185 HG1 THR 24 1HG THR 24 8.387 -3.121 6.958 186 1HG2 THR 24 1HG2 THR 24 10.723 -6.026 6.822 187 2HG2 THR 24 2HG2 THR 24 9.271 -6.255 5.848 188 3HG2 THR 24 3HG2 THR 24 9.133 -5.728 7.524 189 H HIS 25 H HIS 25 11.671 -1.418 5.166 190 HA HIS 25 HA HIS 25 11.619 -2.081 2.253 191 1HB HIS 25 1HB HIS 25 10.742 0.396 3.769 192 2HB HIS 25 2HB HIS 25 10.581 0.135 2.035 193 HD1 HIS 25 HD1 HIS 25 9.235 -1.043 5.337 194 HD2 HIS 25 HD2 HIS 25 8.530 -1.685 1.281 195 HE1 HIS 25 HE1 HIS 25 7.090 -2.378 5.186 196 H LYS 26 H LYS 26 13.547 -0.975 4.811 197 HA LYS 26 HA LYS 26 15.095 1.125 3.757 198 1HB LYS 26 1HB LYS 26 16.797 0.301 5.297 199 2HB LYS 26 2HB LYS 26 15.215 0.044 6.033 200 1HG LYS 26 1HG LYS 26 15.272 -2.302 5.044 201 2HG LYS 26 2HG LYS 26 16.967 -2.004 4.658 202 1HD LYS 26 1HD LYS 26 15.974 -1.497 7.448 203 2HD LYS 26 2HD LYS 26 16.348 -3.146 6.941 204 1HE LYS 26 1HE LYS 26 18.399 -1.131 6.218 205 2HE LYS 26 2HE LYS 26 18.222 -1.448 7.956 206 1HZ LYS 26 1HZ LYS 26 19.699 -3.016 6.550 207 2HZ LYS 26 2HZ LYS 26 18.223 -3.683 6.036 208 3HZ LYS 26 3HZ LYS 26 18.634 -3.688 7.684 209 H ALA 27 H ALA 27 14.877 -2.197 2.760 210 HA ALA 27 HA ALA 27 17.361 -2.053 1.138 211 1HB ALA 27 1HB ALA 27 17.150 -4.147 2.135 212 2HB ALA 27 2HB ALA 27 16.348 -4.457 0.595 213 3HB ALA 27 3HB ALA 27 15.390 -4.125 2.038 214 H VAL 28 H VAL 28 14.140 -1.165 0.842 215 HA VAL 28 HA VAL 28 13.741 -1.939 -1.964 216 HB VAL 28 HB VAL 28 12.283 -0.228 0.062 217 1HG1 VAL 28 1HG1 VAL 28 10.410 -0.211 -1.598 218 2HG1 VAL 28 2HG1 VAL 28 11.523 -0.870 -2.797 219 3HG1 VAL 28 3HG1 VAL 28 11.809 0.730 -2.111 220 1HG2 VAL 28 1HG2 VAL 28 12.123 -2.590 0.517 221 2HG2 VAL 28 2HG2 VAL 28 11.791 -2.945 -1.178 222 3HG2 VAL 28 3HG2 VAL 28 10.593 -2.093 -0.205 223 H LYS 29 H LYS 29 13.019 0.064 -3.423 224 HA LYS 29 HA LYS 29 15.345 1.884 -3.432 225 1HB LYS 29 1HB LYS 29 13.494 0.735 -5.313 226 2HB LYS 29 2HB LYS 29 13.512 2.493 -5.481 227 1HG LYS 29 1HG LYS 29 15.312 1.978 -6.828 228 2HG LYS 29 2HG LYS 29 16.136 2.129 -5.274 229 1HD LYS 29 1HD LYS 29 15.466 -0.450 -5.092 230 2HD LYS 29 2HD LYS 29 15.494 -0.327 -6.851 231 1HE LYS 29 1HE LYS 29 17.805 0.978 -6.259 232 2HE LYS 29 2HE LYS 29 17.745 -0.186 -4.921 233 1HZ LYS 29 1HZ LYS 29 18.732 -1.334 -6.708 234 2HZ LYS 29 2HZ LYS 29 17.603 -0.741 -7.830 235 3HZ LYS 29 3HZ LYS 29 17.128 -1.882 -6.663 236 H CYS 30 H CYS 30 15.078 3.504 -2.000 237 HA CYS 30 HA CYS 30 12.772 4.686 -0.966 238 1HB CYS 30 1HB CYS 30 15.519 5.711 -1.669 239 2HB CYS 30 2HB CYS 30 14.323 6.808 -0.981 240 H GLY 31 H GLY 31 14.099 4.942 -4.174 241 1HA GLY 31 1HA GLY 31 12.400 7.245 -4.886 242 2HA GLY 31 2HA GLY 31 13.535 6.424 -5.961 243 H ASP 32 H ASP 32 12.098 3.842 -4.748 244 HA ASP 32 HA ASP 32 10.257 3.579 -7.014 245 1HB ASP 32 1HB ASP 32 11.785 1.916 -5.383 246 2HB ASP 32 2HB ASP 32 10.134 1.550 -4.901 247 H CYS 33 H CYS 33 10.078 4.110 -3.534 248 HA CYS 33 HA CYS 33 7.108 4.067 -3.557 249 1HB CYS 33 1HB CYS 33 9.310 4.358 -1.498 250 2HB CYS 33 2HB CYS 33 7.625 4.663 -1.078 251 H HIS 34 H HIS 34 9.718 6.322 -2.562 252 HA HIS 34 HA HIS 34 7.916 8.651 -2.898 253 1HB HIS 34 1HB HIS 34 10.810 8.287 -2.037 254 2HB HIS 34 2HB HIS 34 9.981 9.835 -2.065 255 HD1 HIS 34 HD1 HIS 34 7.576 9.752 -0.603 256 HD2 HIS 34 HD2 HIS 34 10.581 7.047 0.407 257 HE1 HIS 34 HE1 HIS 34 7.100 8.995 1.768 258 H HIS 35 H HIS 35 8.328 7.289 -5.321 259 HA HIS 35 HA HIS 35 10.428 7.707 -6.987 260 1HB HIS 35 1HB HIS 35 8.611 8.291 -8.735 261 2HB HIS 35 2HB HIS 35 8.456 6.772 -7.873 262 HD1 HIS 35 HD1 HIS 35 7.100 10.232 -7.975 263 HD2 HIS 35 HD2 HIS 35 6.153 6.584 -6.221 264 HE1 HIS 35 HE1 HIS 35 4.795 10.509 -6.978 265 HA PRO 36 HA PRO 36 11.532 11.882 -7.390 266 1HB PRO 36 1HB PRO 36 11.864 12.174 -10.100 267 2HB PRO 36 2HB PRO 36 13.004 11.293 -9.061 268 1HG PRO 36 1HG PRO 36 10.813 10.229 -10.790 269 2HG PRO 36 2HG PRO 36 12.467 9.629 -10.570 270 1HD PRO 36 1HD PRO 36 10.369 8.480 -9.340 271 2HD PRO 36 2HD PRO 36 11.967 8.589 -8.565 272 H VAL 37 H VAL 37 9.850 13.208 -6.818 273 HA VAL 37 HA VAL 37 7.813 13.885 -8.913 274 HB VAL 37 HB VAL 37 7.746 13.749 -5.892 275 1HG1 VAL 37 1HG1 VAL 37 6.542 15.732 -6.281 276 2HG1 VAL 37 2HG1 VAL 37 5.283 14.497 -6.317 277 3HG1 VAL 37 3HG1 VAL 37 5.914 15.158 -7.826 278 1HG2 VAL 37 1HG2 VAL 37 6.400 12.318 -8.176 279 2HG2 VAL 37 2HG2 VAL 37 5.636 12.373 -6.588 280 3HG2 VAL 37 3HG2 VAL 37 7.226 11.635 -6.776 281 H ASN 38 H ASN 38 7.159 16.185 -8.910 282 HA ASN 38 HA ASN 38 7.773 18.480 -9.012 283 1HB ASN 38 1HB ASN 38 7.236 17.787 -6.588 284 2HB ASN 38 2HB ASN 38 8.960 17.846 -6.318 285 1HD2 ASN 38 2HD2 ASN 38 6.338 19.734 -5.840 286 2HD2 ASN 38 1HD2 ASN 38 7.021 21.272 -6.070 287 H GLY 39 H GLY 39 9.928 16.308 -9.715 288 1HA GLY 39 1HA GLY 39 12.062 16.727 -10.724 289 2HA GLY 39 2HA GLY 39 12.174 18.230 -9.804 290 H LYS 40 H LYS 40 11.106 16.289 -7.499 291 HA LYS 40 HA LYS 40 13.681 14.897 -6.922 292 1HB LYS 40 1HB LYS 40 14.031 16.131 -4.900 293 2HB LYS 40 2HB LYS 40 13.673 17.336 -6.137 294 1HG LYS 40 1HG LYS 40 11.356 17.471 -5.402 295 2HG LYS 40 2HG LYS 40 11.614 16.167 -4.244 296 1HD LYS 40 1HD LYS 40 12.966 18.882 -4.206 297 2HD LYS 40 2HD LYS 40 11.716 18.326 -3.092 298 1HE LYS 40 1HE LYS 40 13.218 16.517 -2.305 299 2HE LYS 40 2HE LYS 40 14.482 17.102 -3.406 300 1HZ LYS 40 1HZ LYS 40 13.212 18.587 -1.171 301 2HZ LYS 40 2HZ LYS 40 14.189 19.327 -2.347 302 3HZ LYS 40 3HZ LYS 40 14.843 18.145 -1.316 303 H GLU 41 H GLU 41 13.338 13.034 -5.693 304 HA GLU 41 HA GLU 41 10.753 11.916 -5.403 305 1HB GLU 41 1HB GLU 41 13.413 11.435 -4.051 306 2HB GLU 41 2HB GLU 41 12.005 10.431 -3.710 307 1HG GLU 41 1HG GLU 41 11.912 9.598 -5.907 308 2HG GLU 41 2HG GLU 41 12.873 10.930 -6.552 309 H ASP 42 H ASP 42 9.150 12.843 -4.157 310 HA ASP 42 HA ASP 42 9.650 14.524 -1.877 311 1HB ASP 42 1HB ASP 42 7.240 12.952 -2.811 312 2HB ASP 42 2HB ASP 42 7.196 14.151 -1.522 313 H TYR 43 H TYR 43 10.907 13.487 -0.323 314 HA TYR 43 HA TYR 43 10.349 10.749 0.546 315 1HB TYR 43 1HB TYR 43 12.154 12.966 1.572 316 2HB TYR 43 2HB TYR 43 12.190 11.304 2.160 317 HD1 TYR 43 HD1 TYR 43 12.480 9.434 0.345 318 HD2 TYR 43 HD2 TYR 43 13.468 13.570 -0.270 319 HE1 TYR 43 HE1 TYR 43 13.963 8.801 -1.538 320 HE2 TYR 43 HE2 TYR 43 14.951 12.935 -2.154 321 HH TYR 43 HH TYR 43 15.711 9.589 -2.845 322 H GLN 44 H GLN 44 7.977 12.017 0.902 323 HA GLN 44 HA GLN 44 7.842 12.448 3.868 324 1HB GLN 44 1HB GLN 44 6.007 14.140 3.214 325 2HB GLN 44 2HB GLN 44 7.674 14.612 2.877 326 1HG GLN 44 1HG GLN 44 7.397 13.749 0.545 327 2HG GLN 44 2HG GLN 44 5.697 13.439 0.900 328 1HE2 GLN 44 2HE2 GLN 44 5.768 15.971 2.705 329 2HE2 GLN 44 1HE2 GLN 44 5.618 17.248 1.597 330 H LYS 45 H LYS 45 5.373 12.333 4.519 331 HA LYS 45 HA LYS 45 4.397 9.762 4.256 332 1HB LYS 45 1HB LYS 45 2.136 10.886 4.690 333 2HB LYS 45 2HB LYS 45 3.425 11.262 5.824 334 1HG LYS 45 1HG LYS 45 3.892 13.360 4.657 335 2HG LYS 45 2HG LYS 45 2.678 12.973 3.437 336 1HD LYS 45 1HD LYS 45 0.953 13.579 4.787 337 2HD LYS 45 2HD LYS 45 1.687 12.839 6.210 338 1HE LYS 45 1HE LYS 45 3.375 14.833 6.090 339 2HE LYS 45 2HE LYS 45 2.125 15.603 5.092 340 1HZ LYS 45 1HZ LYS 45 1.656 16.105 7.368 341 2HZ LYS 45 2HZ LYS 45 1.790 14.472 7.819 342 3HZ LYS 45 3HZ LYS 45 0.499 14.983 6.839 343 H CYS 46 H CYS 46 3.339 8.609 2.717 344 HA CYS 46 HA CYS 46 3.301 9.301 -0.012 345 1HB CYS 46 1HB CYS 46 1.570 7.431 1.632 346 2HB CYS 46 2HB CYS 46 1.712 7.368 -0.122 347 H ALA 47 H ALA 47 0.786 9.655 2.459 348 HA ALA 47 HA ALA 47 -1.068 10.884 0.488 349 1HB ALA 47 1HB ALA 47 -1.214 9.335 2.885 350 2HB ALA 47 2HB ALA 47 -2.535 9.820 1.822 351 3HB ALA 47 3HB ALA 47 -2.055 10.858 3.165 352 H THR 48 H THR 48 1.288 12.432 1.139 353 HA THR 48 HA THR 48 1.261 14.320 3.113 354 HB THR 48 HB THR 48 1.493 15.317 0.308 355 HG1 THR 48 1HG THR 48 3.530 14.094 0.253 356 1HG2 THR 48 1HG2 THR 48 3.789 15.341 2.150 357 2HG2 THR 48 2HG2 THR 48 2.361 16.174 2.766 358 3HG2 THR 48 3HG2 THR 48 3.071 16.661 1.227 359 H ALA 49 H ALA 49 0.195 16.303 3.464 360 HA ALA 49 HA ALA 49 -2.529 16.531 3.334 361 1HB ALA 49 1HB ALA 49 -2.185 18.797 3.855 362 2HB ALA 49 2HB ALA 49 -0.811 18.933 2.756 363 3HB ALA 49 3HB ALA 49 -0.636 18.069 4.283 364 H GLY 50 H GLY 50 -0.334 17.058 0.633 365 1HA GLY 50 1HA GLY 50 -2.733 17.503 -1.096 366 2HA GLY 50 2HA GLY 50 -1.288 18.486 -1.304 367 H CYS 51 H CYS 51 -1.888 14.996 -0.870 368 HA CYS 51 HA CYS 51 -0.557 14.477 -3.477 369 1HB CYS 51 1HB CYS 51 0.899 14.607 -1.239 370 2HB CYS 51 2HB CYS 51 0.380 12.952 -1.086 371 H HIS 52 H HIS 52 -0.424 11.691 -1.691 372 HA HIS 52 HA HIS 52 -2.767 10.535 -3.010 373 1HB HIS 52 1HB HIS 52 -0.682 9.581 -1.044 374 2HB HIS 52 2HB HIS 52 -1.984 8.538 -1.572 375 HD1 HIS 52 HD1 HIS 52 -2.172 8.847 -4.429 376 HD2 HIS 52 HD2 HIS 52 1.537 9.000 -2.571 377 HE1 HIS 52 HE1 HIS 52 -0.458 8.287 -6.219 378 H ASP 53 H ASP 53 -3.721 12.604 -1.439 379 HA ASP 53 HA ASP 53 -4.666 11.365 1.105 380 1HB ASP 53 1HB ASP 53 -5.035 13.631 1.798 381 2HB ASP 53 2HB ASP 53 -3.487 13.620 0.953 382 H ASN 54 H ASN 54 -5.818 10.807 -1.700 383 HA ASN 54 HA ASN 54 -8.447 12.106 -1.651 384 1HB ASN 54 1HB ASN 54 -6.879 10.966 -3.558 385 2HB ASN 54 2HB ASN 54 -7.965 9.621 -3.211 386 1HD2 ASN 54 2HD2 ASN 54 -9.639 9.653 -4.716 387 2HD2 ASN 54 1HD2 ASN 54 -10.453 11.048 -5.238 388 H MET 55 H MET 55 -9.697 11.516 0.115 389 HA MET 55 HA MET 55 -9.602 8.834 1.265 390 1HB MET 55 1HB MET 55 -10.808 11.476 1.770 391 2HB MET 55 2HB MET 55 -11.808 10.122 2.297 392 1HG MET 55 1HG MET 55 -10.444 9.700 4.040 393 2HG MET 55 2HG MET 55 -9.024 9.683 2.993 394 1HE MET 55 1HE MET 55 -7.097 12.444 4.154 395 2HE MET 55 2HE MET 55 -7.461 11.878 2.526 396 3HE MET 55 3HE MET 55 -7.305 10.716 3.840 397 H ASP 56 H ASP 56 -10.798 9.699 -1.603 398 HA ASP 56 HA ASP 56 -13.521 8.640 -1.444 399 1HB ASP 56 1HB ASP 56 -12.339 10.374 -3.062 400 2HB ASP 56 2HB ASP 56 -11.922 8.921 -3.970 401 H LYS 57 H LYS 57 -10.373 7.288 -1.652 402 HA LYS 57 HA LYS 57 -9.613 5.111 -2.221 403 1HB LYS 57 1HB LYS 57 -12.401 4.435 -1.253 404 2HB LYS 57 2HB LYS 57 -10.942 3.456 -1.088 405 1HG LYS 57 1HG LYS 57 -10.332 4.543 0.787 406 2HG LYS 57 2HG LYS 57 -10.561 6.115 0.026 407 1HD LYS 57 1HD LYS 57 -12.073 5.740 1.993 408 2HD LYS 57 2HD LYS 57 -12.943 6.057 0.493 409 1HE LYS 57 1HE LYS 57 -13.452 3.718 0.195 410 2HE LYS 57 2HE LYS 57 -12.368 3.259 1.523 411 1HZ LYS 57 1HZ LYS 57 -14.992 4.543 1.632 412 2HZ LYS 57 2HZ LYS 57 -13.837 5.037 2.776 413 3HZ LYS 57 3HZ LYS 57 -14.302 3.406 2.685 414 H LYS 58 H LYS 58 -11.326 6.642 -4.284 415 HA LYS 58 HA LYS 58 -11.997 4.249 -5.959 416 1HB LYS 58 1HB LYS 58 -13.525 6.860 -5.698 417 2HB LYS 58 2HB LYS 58 -13.974 5.506 -6.735 418 1HG LYS 58 1HG LYS 58 -13.528 4.555 -4.051 419 2HG LYS 58 2HG LYS 58 -14.677 5.893 -4.022 420 1HD LYS 58 1HD LYS 58 -15.932 4.743 -5.888 421 2HD LYS 58 2HD LYS 58 -14.870 3.354 -5.661 422 1HE LYS 58 1HE LYS 58 -16.155 2.644 -3.940 423 2HE LYS 58 2HE LYS 58 -15.887 4.180 -3.093 424 1HZ LYS 58 1HZ LYS 58 -17.701 5.162 -4.099 425 2HZ LYS 58 2HZ LYS 58 -18.270 3.580 -3.855 426 3HZ LYS 58 3HZ LYS 58 -17.726 4.063 -5.391 427 H ASP 59 H ASP 59 -10.287 7.175 -5.647 428 HA ASP 59 HA ASP 59 -10.280 8.047 -8.407 429 1HB ASP 59 1HB ASP 59 -9.723 9.572 -6.636 430 2HB ASP 59 2HB ASP 59 -8.493 8.480 -6.000 431 H LYS 60 H LYS 60 -9.506 6.665 -9.975 432 HA LYS 60 HA LYS 60 -7.336 4.757 -9.380 433 1HB LYS 60 1HB LYS 60 -9.366 5.295 -11.472 434 2HB LYS 60 2HB LYS 60 -7.861 4.578 -12.053 435 1HG LYS 60 1HG LYS 60 -9.543 3.488 -9.776 436 2HG LYS 60 2HG LYS 60 -9.522 2.845 -11.418 437 1HD LYS 60 1HD LYS 60 -6.817 3.043 -10.619 438 2HD LYS 60 2HD LYS 60 -7.681 2.330 -9.256 439 1HE LYS 60 1HE LYS 60 -8.517 1.224 -11.852 440 2HE LYS 60 2HE LYS 60 -6.813 0.913 -11.461 441 1HZ LYS 60 1HZ LYS 60 -7.624 0.326 -9.168 442 2HZ LYS 60 2HZ LYS 60 -8.034 -0.779 -10.391 443 3HZ LYS 60 3HZ LYS 60 -9.196 0.312 -9.803 444 H SER 61 H SER 61 -6.923 7.805 -9.486 445 HA SER 61 HA SER 61 -5.026 8.007 -11.776 446 1HB SER 61 1HB SER 61 -6.714 9.786 -10.160 447 2HB SER 61 2HB SER 61 -5.098 10.429 -10.437 448 HG SER 61 HG SER 61 -5.644 9.594 -12.726 449 H ALA 62 H ALA 62 -3.300 9.929 -10.626 450 HA ALA 62 HA ALA 62 -1.705 8.186 -8.812 451 1HB ALA 62 1HB ALA 62 -1.179 9.777 -11.046 452 2HB ALA 62 2HB ALA 62 0.030 9.071 -9.973 453 3HB ALA 62 3HB ALA 62 -0.541 10.717 -9.698 454 H LYS 63 H LYS 63 -4.091 9.794 -7.885 455 HA LYS 63 HA LYS 63 -2.657 11.456 -5.837 456 1HB LYS 63 1HB LYS 63 -4.082 12.475 -7.886 457 2HB LYS 63 2HB LYS 63 -5.397 12.198 -6.743 458 1HG LYS 63 1HG LYS 63 -3.105 13.376 -5.409 459 2HG LYS 63 2HG LYS 63 -3.628 14.380 -6.762 460 1HD LYS 63 1HD LYS 63 -5.896 14.453 -5.910 461 2HD LYS 63 2HD LYS 63 -5.499 13.296 -4.640 462 1HE LYS 63 1HE LYS 63 -5.060 15.110 -3.336 463 2HE LYS 63 2HE LYS 63 -3.595 15.318 -4.317 464 1HZ LYS 63 1HZ LYS 63 -6.184 16.259 -5.349 465 2HZ LYS 63 2HZ LYS 63 -4.618 16.813 -5.711 466 3HZ LYS 63 3HZ LYS 63 -5.345 17.218 -4.229 467 H GLY 64 H GLY 64 -4.681 8.831 -6.393 468 1HA GLY 64 1HA GLY 64 -6.413 9.206 -4.068 469 2HA GLY 64 2HA GLY 64 -6.351 7.773 -5.085 470 H TYR 65 H TYR 65 -6.158 8.239 -2.086 471 HA TYR 65 HA TYR 65 -3.477 7.455 -1.286 472 1HB TYR 65 1HB TYR 65 -5.255 8.689 0.059 473 2HB TYR 65 2HB TYR 65 -6.093 7.146 0.208 474 HD1 TYR 65 HD1 TYR 65 -5.784 6.233 2.328 475 HD2 TYR 65 HD2 TYR 65 -2.468 8.124 0.358 476 HE1 TYR 65 HE1 TYR 65 -4.294 5.572 4.199 477 HE2 TYR 65 HE2 TYR 65 -0.981 7.466 2.230 478 HH TYR 65 HH TYR 65 -1.163 6.865 4.596 479 H TYR 66 H TYR 66 -6.580 5.716 -1.651 480 HA TYR 66 HA TYR 66 -5.439 3.158 -0.863 481 1HB TYR 66 1HB TYR 66 -7.690 3.338 -0.375 482 2HB TYR 66 2HB TYR 66 -8.021 4.327 -1.794 483 HD1 TYR 66 HD1 TYR 66 -7.711 3.123 -4.106 484 HD2 TYR 66 HD2 TYR 66 -8.345 1.105 -0.373 485 HE1 TYR 66 HE1 TYR 66 -8.512 1.113 -5.331 486 HE2 TYR 66 HE2 TYR 66 -9.139 -0.905 -1.589 487 HH TYR 66 HH TYR 66 -9.832 -0.848 -4.974 488 H HIS 67 H HIS 67 -6.062 4.832 -3.922 489 HA HIS 67 HA HIS 67 -5.844 2.648 -5.728 490 1HB HIS 67 1HB HIS 67 -6.551 4.758 -6.541 491 2HB HIS 67 2HB HIS 67 -5.171 5.590 -5.822 492 HD1 HIS 67 HD1 HIS 67 -5.959 3.104 -8.581 493 HD2 HIS 67 HD2 HIS 67 -2.942 5.766 -7.492 494 HE1 HIS 67 HE1 HIS 67 -4.268 3.077 -10.462 495 H ALA 68 H ALA 68 -3.226 5.019 -5.255 496 HA ALA 68 HA ALA 68 -1.107 3.607 -6.329 497 1HB ALA 68 1HB ALA 68 -0.100 4.883 -4.030 498 2HB ALA 68 2HB ALA 68 -1.560 5.776 -4.456 499 3HB ALA 68 3HB ALA 68 -0.267 5.586 -5.639 500 H MET 69 H MET 69 -2.767 2.841 -3.339 501 HA MET 69 HA MET 69 -0.544 1.163 -2.361 502 1HB MET 69 1HB MET 69 -3.331 1.762 -1.352 503 2HB MET 69 2HB MET 69 -2.114 0.853 -0.459 504 1HG MET 69 1HG MET 69 -1.051 3.365 -1.471 505 2HG MET 69 2HG MET 69 -2.444 3.619 -0.424 506 1HE MET 69 1HE MET 69 1.494 3.705 0.971 507 2HE MET 69 2HE MET 69 0.168 4.862 0.916 508 3HE MET 69 3HE MET 69 0.711 4.087 -0.569 509 H HIS 70 H HIS 70 -3.906 0.653 -3.503 510 HA HIS 70 HA HIS 70 -3.427 -2.271 -3.408 511 1HB HIS 70 1HB HIS 70 -5.894 -0.687 -4.171 512 2HB HIS 70 2HB HIS 70 -5.831 -2.386 -3.701 513 HD1 HIS 70 HD1 HIS 70 -5.957 1.044 -2.326 514 HD2 HIS 70 HD2 HIS 70 -5.215 -2.795 -0.890 515 HE1 HIS 70 HE1 HIS 70 -6.108 1.183 0.196 516 H ASP 71 H ASP 71 -3.502 0.334 -5.695 517 HA ASP 71 HA ASP 71 -4.152 -1.319 -8.015 518 1HB ASP 71 1HB ASP 71 -3.180 1.491 -7.498 519 2HB ASP 71 2HB ASP 71 -3.381 0.872 -9.133 520 H LYS 72 H LYS 72 -2.685 -2.760 -8.816 521 HA LYS 72 HA LYS 72 0.178 -2.527 -8.256 522 1HB LYS 72 1HB LYS 72 0.262 -4.689 -9.259 523 2HB LYS 72 2HB LYS 72 -1.300 -4.630 -8.440 524 1HG LYS 72 1HG LYS 72 -2.407 -4.033 -10.549 525 2HG LYS 72 2HG LYS 72 -0.851 -4.036 -11.380 526 1HD LYS 72 1HD LYS 72 -0.739 -6.316 -11.447 527 2HD LYS 72 2HD LYS 72 -1.484 -6.497 -9.857 528 1HE LYS 72 1HE LYS 72 -3.619 -6.568 -10.719 529 2HE LYS 72 2HE LYS 72 -3.231 -5.445 -12.038 530 1HZ LYS 72 1HZ LYS 72 -2.151 -7.096 -13.241 531 2HZ LYS 72 2HZ LYS 72 -3.508 -7.911 -12.622 532 3HZ LYS 72 3HZ LYS 72 -1.985 -8.119 -11.898 533 H GLY 73 H GLY 73 -1.940 -2.163 -11.086 534 1HA GLY 73 1HA GLY 73 0.242 -1.588 -12.917 535 2HA GLY 73 2HA GLY 73 -1.473 -1.322 -13.243 536 H THR 74 H THR 74 0.883 -0.028 -10.888 537 HA THR 74 HA THR 74 -0.212 2.707 -11.409 538 HB THR 74 HB THR 74 1.086 3.040 -9.168 539 HG1 THR 74 1HG THR 74 2.262 1.238 -9.009 540 1HG2 THR 74 1HG2 THR 74 -0.813 1.884 -7.914 541 2HG2 THR 74 2HG2 THR 74 -1.373 1.308 -9.484 542 3HG2 THR 74 3HG2 THR 74 -1.308 3.039 -9.152 543 H LYS 75 H LYS 75 1.357 4.477 -11.624 544 HA LYS 75 HA LYS 75 3.437 4.235 -13.402 545 1HB LYS 75 1HB LYS 75 2.469 6.300 -12.131 546 2HB LYS 75 2HB LYS 75 3.720 5.955 -10.932 547 1HG LYS 75 1HG LYS 75 4.403 6.158 -13.859 548 2HG LYS 75 2HG LYS 75 4.304 7.599 -12.849 549 1HD LYS 75 1HD LYS 75 6.453 7.175 -12.302 550 2HD LYS 75 2HD LYS 75 5.820 5.857 -11.315 551 1HE LYS 75 1HE LYS 75 5.869 4.571 -13.666 552 2HE LYS 75 2HE LYS 75 7.156 5.749 -13.987 553 1HZ LYS 75 1HZ LYS 75 6.978 4.130 -11.506 554 2HZ LYS 75 2HZ LYS 75 8.263 5.132 -11.988 555 3HZ LYS 75 3HZ LYS 75 7.934 3.699 -12.838 556 H PHE 76 H PHE 76 3.970 4.223 -9.855 557 HA PHE 76 HA PHE 76 6.549 2.788 -10.287 558 1HB PHE 76 1HB PHE 76 5.366 4.053 -7.800 559 2HB PHE 76 2HB PHE 76 7.036 3.561 -8.038 560 HD1 PHE 76 HD1 PHE 76 8.411 4.747 -9.831 561 HD2 PHE 76 HD2 PHE 76 4.559 6.132 -8.535 562 HE1 PHE 76 HE1 PHE 76 8.875 6.973 -10.821 563 HE2 PHE 76 HE2 PHE 76 5.023 8.356 -9.521 564 HZ PHE 76 HZ PHE 76 7.177 8.771 -10.662 565 H LYS 77 H LYS 77 6.951 1.298 -8.134 566 HA LYS 77 HA LYS 77 4.854 -0.752 -8.265 567 1HB LYS 77 1HB LYS 77 6.412 -1.976 -6.803 568 2HB LYS 77 2HB LYS 77 7.238 -1.339 -8.221 569 1HG LYS 77 1HG LYS 77 7.939 0.638 -6.818 570 2HG LYS 77 2HG LYS 77 7.272 -0.196 -5.415 571 1HD LYS 77 1HD LYS 77 9.739 -0.571 -5.713 572 2HD LYS 77 2HD LYS 77 8.795 -2.059 -5.729 573 1HE LYS 77 1HE LYS 77 8.878 -2.169 -8.154 574 2HE LYS 77 2HE LYS 77 9.664 -0.580 -8.237 575 1HZ LYS 77 1HZ LYS 77 11.262 -1.761 -6.514 576 2HZ LYS 77 2HZ LYS 77 11.512 -1.880 -8.191 577 3HZ LYS 77 3HZ LYS 77 10.751 -3.146 -7.351 578 H SER 78 H SER 78 3.108 -0.477 -7.095 579 HA SER 78 HA SER 78 2.912 1.309 -4.809 580 1HB SER 78 1HB SER 78 0.556 0.088 -4.878 581 2HB SER 78 2HB SER 78 1.008 1.242 -6.128 582 HG SER 78 HG SER 78 0.493 -0.460 -7.317 583 H CYS 79 H CYS 79 1.606 0.381 -2.840 584 HA CYS 79 HA CYS 79 3.243 -1.430 -1.374 585 1HB CYS 79 1HB CYS 79 0.307 -0.768 -1.000 586 2HB CYS 79 2HB CYS 79 1.438 -1.264 0.255 587 H VAL 80 H VAL 80 -0.138 -2.038 -2.381 588 HA VAL 80 HA VAL 80 0.066 -4.901 -2.133 589 HB VAL 80 HB VAL 80 -1.802 -2.967 -3.510 590 1HG1 VAL 80 1HG1 VAL 80 -1.523 -5.802 -3.997 591 2HG1 VAL 80 2HG1 VAL 80 -2.617 -4.646 -4.760 592 3HG1 VAL 80 3HG1 VAL 80 -3.091 -5.456 -3.265 593 1HG2 VAL 80 1HG2 VAL 80 -1.704 -3.197 -0.970 594 2HG2 VAL 80 2HG2 VAL 80 -2.280 -4.851 -1.181 595 3HG2 VAL 80 3HG2 VAL 80 -3.287 -3.496 -1.685 596 H GLY 81 H GLY 81 0.793 -2.626 -4.704 597 1HA GLY 81 1HA GLY 81 0.883 -4.575 -6.849 598 2HA GLY 81 2HA GLY 81 1.583 -2.954 -6.899 599 H CYS 82 H CYS 82 3.318 -3.095 -4.708 600 HA CYS 82 HA CYS 82 5.536 -4.635 -5.835 601 1HB CYS 82 1HB CYS 82 5.481 -2.348 -4.559 602 2HB CYS 82 2HB CYS 82 5.424 -3.342 -3.107 603 H HIS 83 H HIS 83 3.099 -5.018 -3.417 604 HA HIS 83 HA HIS 83 4.373 -7.112 -1.874 605 1HB HIS 83 1HB HIS 83 1.716 -5.775 -2.157 606 2HB HIS 83 2HB HIS 83 1.765 -7.303 -1.299 607 HD1 HIS 83 HD1 HIS 83 1.293 -6.003 0.964 608 HD2 HIS 83 HD2 HIS 83 4.874 -4.992 -0.914 609 HE1 HIS 83 HE1 HIS 83 2.673 -4.762 2.682 610 H LEU 84 H LEU 84 1.627 -7.188 -4.217 611 HA LEU 84 HA LEU 84 1.341 -9.969 -4.444 612 1HB LEU 84 1HB LEU 84 0.462 -7.591 -5.657 613 2HB LEU 84 2HB LEU 84 1.130 -8.551 -6.971 614 HG LEU 84 HG LEU 84 -0.677 -9.838 -4.958 615 1HD1 LEU 84 1HD1 LEU 84 -1.863 -8.754 -7.472 616 2HD1 LEU 84 2HD1 LEU 84 -1.575 -7.615 -6.156 617 3HD1 LEU 84 3HD1 LEU 84 -2.613 -9.016 -5.898 618 1HD2 LEU 84 1HD2 LEU 84 -1.087 -10.636 -7.674 619 2HD2 LEU 84 2HD2 LEU 84 -0.379 -11.578 -6.361 620 3HD2 LEU 84 3HD2 LEU 84 0.652 -10.576 -7.383 621 H GLU 85 H GLU 85 3.750 -7.807 -5.857 622 HA GLU 85 HA GLU 85 4.907 -9.908 -7.568 623 1HB GLU 85 1HB GLU 85 5.694 -7.065 -6.846 624 2HB GLU 85 2HB GLU 85 6.522 -8.043 -8.059 625 1HG GLU 85 1HG GLU 85 3.616 -8.003 -8.424 626 2HG GLU 85 2HG GLU 85 4.344 -6.401 -8.540 627 H THR 86 H THR 86 5.995 -7.962 -4.754 628 HA THR 86 HA THR 86 8.470 -9.252 -4.297 629 HB THR 86 HB THR 86 6.412 -7.868 -2.575 630 HG1 THR 86 1HG THR 86 8.144 -6.346 -2.501 631 1HG2 THR 86 1HG2 THR 86 9.126 -8.819 -1.622 632 2HG2 THR 86 2HG2 THR 86 7.606 -9.612 -1.209 633 3HG2 THR 86 3HG2 THR 86 7.910 -7.958 -0.677 634 H ALA 87 H ALA 87 5.248 -10.430 -3.895 635 HA ALA 87 HA ALA 87 5.986 -12.536 -1.965 636 1HB ALA 87 1HB ALA 87 3.548 -11.451 -3.303 637 2HB ALA 87 2HB ALA 87 3.810 -11.843 -1.604 638 3HB ALA 87 3HB ALA 87 3.484 -13.130 -2.765 639 H GLY 88 H GLY 88 5.318 -12.180 -5.415 640 1HA GLY 88 1HA GLY 88 5.633 -13.658 -7.207 641 2HA GLY 88 2HA GLY 88 6.856 -14.431 -6.197 642 H ALA 89 H ALA 89 6.378 -16.583 -6.381 643 HA ALA 89 HA ALA 89 3.571 -17.512 -6.294 644 1HB ALA 89 1HB ALA 89 5.956 -19.309 -6.283 645 2HB ALA 89 2HB ALA 89 5.700 -18.289 -7.698 646 3HB ALA 89 3HB ALA 89 4.462 -19.444 -7.207 647 H ASP 90 H ASP 90 4.269 -16.304 -3.872 648 HA ASP 90 HA ASP 90 4.660 -18.640 -2.042 649 1HB ASP 90 1HB ASP 90 6.476 -17.014 -1.990 650 2HB ASP 90 2HB ASP 90 5.333 -15.696 -1.752 651 H ALA 91 H ALA 91 2.306 -18.918 -2.308 652 HA ALA 91 HA ALA 91 0.188 -17.240 -1.868 653 1HB ALA 91 1HB ALA 91 0.671 -19.925 -0.531 654 2HB ALA 91 2HB ALA 91 0.078 -19.693 -2.176 655 3HB ALA 91 3HB ALA 91 -0.909 -19.189 -0.803 656 H ALA 92 H ALA 92 2.623 -18.094 0.502 657 HA ALA 92 HA ALA 92 1.146 -17.094 2.815 658 1HB ALA 92 1HB ALA 92 3.351 -18.694 2.345 659 2HB ALA 92 2HB ALA 92 2.915 -18.030 3.920 660 3HB ALA 92 3HB ALA 92 4.092 -17.195 2.905 661 H LYS 93 H LYS 93 3.626 -15.912 0.596 662 HA LYS 93 HA LYS 93 3.977 -13.340 1.893 663 1HB LYS 93 1HB LYS 93 4.810 -14.816 -0.533 664 2HB LYS 93 2HB LYS 93 4.839 -13.065 -0.682 665 1HG LYS 93 1HG LYS 93 6.145 -13.007 1.488 666 2HG LYS 93 2HG LYS 93 6.269 -14.763 1.372 667 1HD LYS 93 1HD LYS 93 7.095 -14.136 -1.104 668 2HD LYS 93 2HD LYS 93 7.584 -12.656 -0.278 669 1HE LYS 93 1HE LYS 93 9.247 -13.713 0.883 670 2HE LYS 93 2HE LYS 93 8.259 -15.163 1.155 671 1HZ LYS 93 1HZ LYS 93 9.396 -14.389 -1.478 672 2HZ LYS 93 2HZ LYS 93 8.577 -15.830 -1.104 673 3HZ LYS 93 3HZ LYS 93 10.109 -15.522 -0.437 674 H LYS 94 H LYS 94 1.754 -14.717 -0.427 675 HA LYS 94 HA LYS 94 0.824 -12.167 -1.515 676 1HB LYS 94 1HB LYS 94 0.472 -15.000 -1.908 677 2HB LYS 94 2HB LYS 94 -1.113 -14.230 -1.798 678 1HG LYS 94 1HG LYS 94 -0.863 -13.207 -3.798 679 2HG LYS 94 2HG LYS 94 0.770 -12.669 -3.401 680 1HD LYS 94 1HD LYS 94 1.755 -14.632 -4.209 681 2HD LYS 94 2HD LYS 94 0.265 -15.562 -4.050 682 1HE LYS 94 1HE LYS 94 -0.253 -13.388 -5.842 683 2HE LYS 94 2HE LYS 94 1.228 -14.210 -6.374 684 1HZ LYS 94 1HZ LYS 94 -1.087 -15.177 -7.025 685 2HZ LYS 94 2HZ LYS 94 -1.056 -15.813 -5.449 686 3HZ LYS 94 3HZ LYS 94 0.165 -16.221 -6.559 687 H LYS 95 H LYS 95 0.010 -14.217 1.214 688 HA LYS 95 HA LYS 95 -2.516 -12.809 1.783 689 1HB LYS 95 1HB LYS 95 -2.763 -14.485 3.419 690 2HB LYS 95 2HB LYS 95 -1.793 -15.298 2.191 691 1HG LYS 95 1HG LYS 95 -0.398 -15.769 3.924 692 2HG LYS 95 2HG LYS 95 0.155 -14.110 3.699 693 1HD LYS 95 1HD LYS 95 -0.481 -13.732 5.831 694 2HD LYS 95 2HD LYS 95 -2.145 -13.847 5.255 695 1HE LYS 95 1HE LYS 95 -0.518 -16.268 6.101 696 2HE LYS 95 2HE LYS 95 -1.628 -15.404 7.184 697 1HZ LYS 95 1HZ LYS 95 -2.758 -17.219 6.029 698 2HZ LYS 95 2HZ LYS 95 -2.343 -16.537 4.529 699 3HZ LYS 95 3HZ LYS 95 -3.399 -15.715 5.577 700 H GLU 96 H GLU 96 0.847 -12.589 2.603 701 HA GLU 96 HA GLU 96 0.372 -10.856 4.962 702 1HB GLU 96 1HB GLU 96 2.762 -11.127 5.231 703 2HB GLU 96 2HB GLU 96 2.116 -12.691 4.773 704 1HG GLU 96 1HG GLU 96 2.782 -12.323 2.471 705 2HG GLU 96 2HG GLU 96 3.345 -10.699 2.869 706 H LEU 97 H LEU 97 1.843 -10.729 1.751 707 HA LEU 97 HA LEU 97 2.429 -7.872 1.863 708 1HB LEU 97 1HB LEU 97 2.343 -9.879 -0.400 709 2HB LEU 97 2HB LEU 97 3.122 -8.296 -0.460 710 HG LEU 97 HG LEU 97 3.887 -10.684 1.221 711 1HD1 LEU 97 1HD1 LEU 97 6.155 -9.723 0.174 712 2HD1 LEU 97 2HD1 LEU 97 5.021 -9.116 -1.032 713 3HD1 LEU 97 3HD1 LEU 97 5.115 -10.845 -0.703 714 1HD2 LEU 97 1HD2 LEU 97 3.906 -8.758 2.719 715 2HD2 LEU 97 2HD2 LEU 97 4.753 -7.790 1.513 716 3HD2 LEU 97 3HD2 LEU 97 5.569 -9.152 2.281 717 H THR 98 H THR 98 0.347 -9.688 -0.410 718 HA THR 98 HA THR 98 -1.235 -7.240 -0.874 719 HB THR 98 HB THR 98 -2.300 -8.748 -2.590 720 HG1 THR 98 1HG THR 98 -2.034 -10.731 -1.699 721 1HG2 THR 98 1HG2 THR 98 0.128 -7.483 -2.614 722 2HG2 THR 98 2HG2 THR 98 -0.602 -8.254 -4.021 723 3HG2 THR 98 3HG2 THR 98 0.587 -9.128 -3.053 724 H GLY 99 H GLY 99 -1.474 -10.137 1.006 725 1HA GLY 99 1HA GLY 99 -4.223 -10.594 1.140 726 2HA GLY 99 2HA GLY 99 -3.152 -10.760 2.534 727 H CYS 100 H CYS 100 -5.896 -9.283 1.675 728 HA CYS 100 HA CYS 100 -5.383 -6.595 2.702 729 1HB CYS 100 1HB CYS 100 -8.138 -7.606 2.713 730 2HB CYS 100 2HB CYS 100 -7.490 -6.181 1.946 731 H LYS 101 H LYS 101 -7.561 -9.164 3.853 732 HA LYS 101 HA LYS 101 -7.215 -8.096 6.604 733 1HB LYS 101 1HB LYS 101 -9.127 -10.150 5.441 734 2HB LYS 101 2HB LYS 101 -9.237 -9.433 7.049 735 1HG LYS 101 1HG LYS 101 -9.092 -7.568 4.724 736 2HG LYS 101 2HG LYS 101 -10.605 -8.440 4.973 737 1HD LYS 101 1HD LYS 101 -10.596 -7.657 7.358 738 2HD LYS 101 2HD LYS 101 -9.183 -6.669 6.981 739 1HE LYS 101 1HE LYS 101 -10.404 -5.256 5.532 740 2HE LYS 101 2HE LYS 101 -11.719 -6.436 5.351 741 1HZ LYS 101 1HZ LYS 101 -12.549 -4.974 6.933 742 2HZ LYS 101 2HZ LYS 101 -11.044 -4.767 7.692 743 3HZ LYS 101 3HZ LYS 101 -11.906 -6.219 7.888 744 H GLY 102 H GLY 102 -5.528 -9.051 7.695 745 1HA GLY 102 1HA GLY 102 -4.854 -11.077 8.944 746 2HA GLY 102 2HA GLY 102 -5.294 -12.026 7.525 747 H SER 103 H SER 103 -3.867 -9.333 6.302 748 HA SER 103 HA SER 103 -1.358 -10.763 5.757 749 1HB SER 103 1HB SER 103 -1.023 -8.838 4.245 750 2HB SER 103 2HB SER 103 -2.622 -9.532 4.032 751 HG SER 103 HG SER 103 -2.360 -7.127 4.325 752 H LYS 104 H LYS 104 0.204 -8.319 5.509 753 HA LYS 104 HA LYS 104 0.959 -7.939 8.373 754 1HB LYS 104 1HB LYS 104 2.306 -7.415 5.704 755 2HB LYS 104 2HB LYS 104 3.057 -7.124 7.272 756 1HG LYS 104 1HG LYS 104 1.897 -9.823 6.928 757 2HG LYS 104 2HG LYS 104 3.289 -9.471 5.903 758 1HD LYS 104 1HD LYS 104 4.337 -8.535 8.123 759 2HD LYS 104 2HD LYS 104 3.121 -9.549 8.901 760 1HE LYS 104 1HE LYS 104 4.080 -11.526 8.133 761 2HE LYS 104 2HE LYS 104 4.808 -10.741 6.717 762 1HZ LYS 104 1HZ LYS 104 6.000 -9.361 8.588 763 2HZ LYS 104 2HZ LYS 104 6.626 -10.851 8.066 764 3HZ LYS 104 3HZ LYS 104 5.721 -10.762 9.501 765 H CYS 105 H CYS 105 -0.144 -6.398 5.485 766 HA CYS 105 HA CYS 105 0.321 -3.652 6.326 767 1HB CYS 105 1HB CYS 105 -0.156 -5.119 4.013 768 2HB CYS 105 2HB CYS 105 -1.639 -4.222 4.237 769 H HIS 106 H HIS 106 -2.296 -5.987 6.615 770 HA HIS 106 HA HIS 106 -4.015 -3.845 7.834 771 1HB HIS 106 1HB HIS 106 -4.504 -6.136 5.984 772 2HB HIS 106 2HB HIS 106 -5.789 -5.723 7.119 773 HD1 HIS 106 HD1 HIS 106 -5.243 -2.629 7.142 774 HD2 HIS 106 HD2 HIS 106 -5.697 -4.948 3.687 775 HE1 HIS 106 HE1 HIS 106 -5.832 -1.024 5.282 776 H SER 107 H SER 107 -2.746 -4.487 9.858 777 HA SER 107 HA SER 107 -3.533 -7.133 10.981 778 1HB SER 107 1HB SER 107 -1.156 -6.137 10.931 779 2HB SER 107 2HB SER 107 -1.720 -5.029 12.177 780 HG SER 107 HG SER 107 -0.824 -6.860 13.133 781 HHA HEC 201 HHA HEC 201 6.019 8.658 5.627 782 HHB HEC 201 HHB HEC 201 12.075 9.817 4.761 783 HHC HEC 201 HHC HEC 201 12.594 4.632 1.140 784 HHD HEC 201 HHD HEC 201 6.454 3.597 1.790 785 1HMA HEC 201 1HMA HEC 201 10.105 11.983 6.455 786 2HMA HEC 201 2HMA HEC 201 11.322 10.752 6.795 787 3HMA HEC 201 3HMA HEC 201 9.865 10.853 7.789 788 1HAA HEC 201 1HAA HEC 201 6.634 9.602 7.368 789 2HAA HEC 201 2HAA HEC 201 7.878 10.757 7.835 790 1HBA HEC 201 1HBA HEC 201 6.778 11.585 5.328 791 2HBA HEC 201 2HBA HEC 201 5.448 11.266 6.441 792 1HMB HEC 201 1HMB HEC 201 14.027 9.649 4.323 793 2HMB HEC 201 2HMB HEC 201 14.822 9.318 2.783 794 3HMB HEC 201 3HMB HEC 201 15.198 8.336 4.199 795 HAB HEC 201 HAB HEC 201 14.477 5.408 1.325 796 1HBB HEC 201 1HBB HEC 201 16.242 4.851 2.717 797 2HBB HEC 201 2HBB HEC 201 15.028 5.255 3.931 798 3HBB HEC 201 3HBB HEC 201 16.264 6.435 3.493 799 1HMC HEC 201 1HMC HEC 201 11.573 1.688 0.668 800 2HMC HEC 201 2HMC HEC 201 12.148 3.128 -0.172 801 3HMC HEC 201 3HMC HEC 201 10.813 2.190 -0.842 802 HAC HEC 201 HAC HEC 201 7.127 2.210 0.597 803 1HBC HEC 201 1HBC HEC 201 8.374 0.142 -0.435 804 2HBC HEC 201 2HBC HEC 201 8.298 0.328 1.317 805 3HBC HEC 201 3HBC HEC 201 9.761 0.782 0.445 806 1HMD HEC 201 1HMD HEC 201 4.627 3.373 3.101 807 2HMD HEC 201 2HMD HEC 201 3.706 4.175 4.372 808 3HMD HEC 201 3HMD HEC 201 3.447 4.616 2.683 809 1HAD HEC 201 1HAD HEC 201 4.261 8.044 5.388 810 2HAD HEC 201 2HAD HEC 201 3.277 7.501 4.035 811 1HBD HEC 201 1HBD HEC 201 2.587 5.558 5.155 812 2HBD HEC 201 2HBD HEC 201 3.916 5.642 6.309 813 HHA HEC 202 HHA HEC 202 1.593 7.522 -9.578 814 HHB HEC 202 HHB HEC 202 2.844 4.096 -4.829 815 HHC HEC 202 HHC HEC 202 4.565 9.033 -1.353 816 HHD HEC 202 HHD HEC 202 2.818 12.855 -5.962 817 1HMA HEC 202 1HMA HEC 202 0.317 3.222 -7.354 818 2HMA HEC 202 2HMA HEC 202 1.178 3.147 -5.818 819 3HMA HEC 202 3HMA HEC 202 2.015 2.748 -7.319 820 1HAA HEC 202 1HAA HEC 202 1.051 5.111 -10.034 821 2HAA HEC 202 2HAA HEC 202 -0.059 4.335 -8.940 822 1HBA HEC 202 1HBA HEC 202 -1.285 6.422 -8.647 823 2HBA HEC 202 2HBA HEC 202 -0.160 7.249 -9.720 824 1HMB HEC 202 1HMB HEC 202 4.869 3.754 -1.781 825 2HMB HEC 202 2HMB HEC 202 4.125 3.314 -3.319 826 3HMB HEC 202 3HMB HEC 202 3.115 3.610 -1.905 827 HAB HEC 202 HAB HEC 202 4.130 6.979 0.030 828 1HBB HEC 202 1HBB HEC 202 6.381 7.126 0.198 829 2HBB HEC 202 2HBB HEC 202 6.592 6.313 -1.355 830 3HBB HEC 202 3HBB HEC 202 6.432 5.365 0.123 831 1HMC HEC 202 1HMC HEC 202 5.335 11.026 -0.947 832 2HMC HEC 202 2HMC HEC 202 5.427 12.681 -1.551 833 3HMC HEC 202 3HMC HEC 202 3.978 12.127 -0.712 834 HAC HEC 202 HAC HEC 202 2.317 13.790 -3.820 835 1HBC HEC 202 1HBC HEC 202 3.443 15.404 -2.527 836 2HBC HEC 202 2HBC HEC 202 4.995 14.588 -2.696 837 3HBC HEC 202 3HBC HEC 202 3.751 13.907 -1.650 838 1HMD HEC 202 1HMD HEC 202 2.908 13.408 -8.500 839 2HMD HEC 202 2HMD HEC 202 1.153 13.265 -8.589 840 3HMD HEC 202 3HMD HEC 202 2.144 12.818 -9.978 841 1HAD HEC 202 1HAD HEC 202 1.963 9.045 -10.851 842 2HAD HEC 202 2HAD HEC 202 1.234 10.623 -11.078 843 1HBD HEC 202 1HBD HEC 202 3.897 11.201 -10.502 844 2HBD HEC 202 2HBD HEC 202 3.982 9.768 -11.528 845 HHA HEC 203 HHA HEC 203 7.065 -6.935 4.598 846 HHB HEC 203 HHB HEC 203 2.668 -2.192 4.835 847 HHC HEC 203 HHC HEC 203 4.648 -0.017 -0.482 848 HHD HEC 203 HHD HEC 203 8.989 -4.548 -0.920 849 1HMA HEC 203 1HMA HEC 203 3.025 -5.200 7.460 850 2HMA HEC 203 2HMA HEC 203 2.160 -4.008 6.489 851 3HMA HEC 203 3HMA HEC 203 3.449 -3.492 7.576 852 1HAA HEC 203 1HAA HEC 203 4.810 -6.205 7.675 853 2HAA HEC 203 2HAA HEC 203 4.665 -7.410 6.403 854 1HBA HEC 203 1HBA HEC 203 6.892 -7.826 6.382 855 2HBA HEC 203 2HBA HEC 203 7.305 -6.115 6.511 856 1HMB HEC 203 1HMB HEC 203 2.416 1.027 4.470 857 2HMB HEC 203 2HMB HEC 203 1.736 -0.570 4.781 858 3HMB HEC 203 3HMB HEC 203 1.118 0.408 3.450 859 HAB HEC 203 HAB HEC 203 2.862 0.825 0.044 860 1HBB HEC 203 1HBB HEC 203 3.457 3.019 0.370 861 2HBB HEC 203 2HBB HEC 203 4.457 2.352 1.663 862 3HBB HEC 203 3HBB HEC 203 2.869 3.019 2.032 863 1HMC HEC 203 1HMC HEC 203 7.318 0.079 -2.882 864 2HMC HEC 203 2HMC HEC 203 5.919 -0.812 -3.481 865 3HMC HEC 203 3HMC HEC 203 5.726 0.361 -2.177 866 HAC HEC 203 HAC HEC 203 9.245 -3.406 -2.538 867 1HBC HEC 203 1HBC HEC 203 9.785 -1.727 -4.112 868 2HBC HEC 203 2HBC HEC 203 9.192 -0.810 -2.727 869 3HBC HEC 203 3HBC HEC 203 8.145 -1.083 -4.117 870 1HMD HEC 203 1HMD HEC 203 10.066 -7.723 0.198 871 2HMD HEC 203 2HMD HEC 203 11.056 -6.565 1.087 872 3HMD HEC 203 3HMD HEC 203 10.280 -6.087 -0.423 873 1HAD HEC 203 1HAD HEC 203 10.188 -7.884 3.079 874 2HAD HEC 203 2HAD HEC 203 8.833 -7.853 4.202 875 1HBD HEC 203 1HBD HEC 203 7.842 -9.055 1.852 876 2HBD HEC 203 2HBD HEC 203 9.429 -9.774 2.126 877 HHA HEC 204 HHA HEC 204 -6.793 2.065 4.097 878 HHB HEC 204 HHB HEC 204 -9.974 -2.122 0.767 879 HHC HEC 204 HHC HEC 204 -4.770 -5.947 0.912 880 HHD HEC 204 HHD HEC 204 -1.433 -0.999 2.674 881 1HMA HEC 204 1HMA HEC 204 -11.299 -0.716 1.207 882 2HMA HEC 204 2HMA HEC 204 -10.912 0.978 0.893 883 3HMA HEC 204 3HMA HEC 204 -11.639 0.507 2.431 884 1HAA HEC 204 1HAA HEC 204 -10.162 1.987 4.326 885 2HAA HEC 204 2HAA HEC 204 -8.583 2.716 4.037 886 1HBA HEC 204 1HBA HEC 204 -9.218 3.280 1.751 887 2HBA HEC 204 2HBA HEC 204 -10.760 2.457 1.950 888 1HMB HEC 204 1HMB HEC 204 -9.619 -4.834 -1.617 889 2HMB HEC 204 2HMB HEC 204 -10.443 -3.844 -0.415 890 3HMB HEC 204 3HMB HEC 204 -10.177 -5.561 -0.110 891 HAB HEC 204 HAB HEC 204 -6.387 -7.009 0.203 892 1HBB HEC 204 1HBB HEC 204 -6.867 -7.535 -2.270 893 2HBB HEC 204 2HBB HEC 204 -5.650 -6.307 -1.923 894 3HBB HEC 204 3HBB HEC 204 -7.271 -5.825 -2.423 895 1HMC HEC 204 1HMC HEC 204 -1.492 -6.227 2.202 896 2HMC HEC 204 2HMC HEC 204 -2.961 -6.654 1.324 897 3HMC HEC 204 3HMC HEC 204 -1.559 -6.040 0.448 898 HAC HEC 204 HAC HEC 204 -0.357 -2.506 2.945 899 1HBC HEC 204 1HBC HEC 204 0.198 -2.634 0.465 900 2HBC HEC 204 2HBC HEC 204 0.455 -4.365 0.682 901 3HBC HEC 204 3HBC HEC 204 1.476 -3.207 1.536 902 1HMD HEC 204 1HMD HEC 204 -0.883 0.894 3.308 903 2HMD HEC 204 2HMD HEC 204 -1.481 2.541 3.114 904 3HMD HEC 204 3HMD HEC 204 -1.416 1.810 4.717 905 1HAD HEC 204 1HAD HEC 204 -3.778 3.817 3.721 906 2HAD HEC 204 2HAD HEC 204 -5.365 3.389 4.345 907 1HBD HEC 204 1HBD HEC 204 -4.264 2.490 6.399 908 2HBD HEC 204 2HBD HEC 204 -2.722 3.083 5.782 Start of MODEL 7 1 1H ALA 1 1H ALA 1 19.149 14.537 1.281 2 2H ALA 1 2H ALA 1 20.565 15.274 1.862 3 3H ALA 1 3H ALA 1 19.066 15.615 2.587 4 HA ALA 1 HA ALA 1 20.048 12.835 2.539 5 1HB ALA 1 1HB ALA 1 21.450 13.268 4.416 6 2HB ALA 1 2HB ALA 1 20.759 14.873 4.657 7 3HB ALA 1 3HB ALA 1 21.814 14.565 3.278 8 HA PRO 2 HA PRO 2 15.973 13.503 4.566 9 1HB PRO 2 1HB PRO 2 14.883 11.167 3.651 10 2HB PRO 2 2HB PRO 2 14.859 12.671 2.719 11 1HG PRO 2 1HG PRO 2 16.645 10.310 2.453 12 2HG PRO 2 2HG PRO 2 15.946 11.343 1.196 13 1HD PRO 2 1HD PRO 2 18.534 11.538 2.048 14 2HD PRO 2 2HD PRO 2 17.616 12.899 1.364 15 H LYS 3 H LYS 3 15.192 12.420 6.450 16 HA LYS 3 HA LYS 3 17.004 10.262 7.462 17 1HB LYS 3 1HB LYS 3 15.789 11.103 9.660 18 2HB LYS 3 2HB LYS 3 17.179 11.962 9.003 19 1HG LYS 3 1HG LYS 3 14.425 12.698 8.063 20 2HG LYS 3 2HG LYS 3 14.984 13.290 9.626 21 1HD LYS 3 1HD LYS 3 17.142 13.709 7.882 22 2HD LYS 3 2HD LYS 3 15.712 14.193 6.967 23 1HE LYS 3 1HE LYS 3 15.602 16.111 8.165 24 2HE LYS 3 2HE LYS 3 15.447 15.170 9.662 25 1HZ LYS 3 1HZ LYS 3 17.944 14.764 9.362 26 2HZ LYS 3 2HZ LYS 3 17.453 16.285 9.938 27 3HZ LYS 3 3HZ LYS 3 17.907 16.096 8.312 28 H ALA 4 H ALA 4 15.752 8.596 6.441 29 HA ALA 4 HA ALA 4 13.031 8.091 6.456 30 1HB ALA 4 1HB ALA 4 14.892 5.921 7.370 31 2HB ALA 4 2HB ALA 4 15.193 6.676 5.805 32 3HB ALA 4 3HB ALA 4 13.654 5.869 6.113 33 HA PRO 5 HA PRO 5 12.118 8.190 10.764 34 1HB PRO 5 1HB PRO 5 9.479 7.481 10.565 35 2HB PRO 5 2HB PRO 5 10.099 9.101 10.211 36 1HG PRO 5 1HG PRO 5 9.201 6.990 8.361 37 2HG PRO 5 2HG PRO 5 9.244 8.742 8.148 38 1HD PRO 5 1HD PRO 5 11.069 6.889 7.084 39 2HD PRO 5 2HD PRO 5 11.248 8.653 7.117 40 H ALA 6 H ALA 6 11.526 6.718 12.472 41 HA ALA 6 HA ALA 6 12.592 4.127 12.286 42 1HB ALA 6 1HB ALA 6 10.449 4.478 14.261 43 2HB ALA 6 2HB ALA 6 11.574 5.835 14.212 44 3HB ALA 6 3HB ALA 6 12.172 4.205 14.516 45 H ASP 7 H ASP 7 11.566 2.081 12.253 46 HA ASP 7 HA ASP 7 9.453 1.716 10.365 47 1HB ASP 7 1HB ASP 7 10.310 -0.211 12.532 48 2HB ASP 7 2HB ASP 7 9.765 -0.586 10.901 49 H GLY 8 H GLY 8 7.337 0.765 10.879 50 1HA GLY 8 1HA GLY 8 5.485 0.326 12.343 51 2HA GLY 8 2HA GLY 8 6.341 1.172 13.631 52 H LEU 9 H LEU 9 6.216 2.704 10.513 53 HA LEU 9 HA LEU 9 4.918 5.052 11.563 54 1HB LEU 9 1HB LEU 9 6.333 4.331 9.297 55 2HB LEU 9 2HB LEU 9 4.704 4.596 8.669 56 HG LEU 9 HG LEU 9 5.692 6.597 10.625 57 1HD1 LEU 9 1HD1 LEU 9 7.701 6.653 9.466 58 2HD1 LEU 9 2HD1 LEU 9 6.742 7.740 8.461 59 3HD1 LEU 9 3HD1 LEU 9 6.975 6.061 7.972 60 1HD2 LEU 9 1HD2 LEU 9 3.540 6.991 9.679 61 2HD2 LEU 9 2HD2 LEU 9 4.100 6.593 8.053 62 3HD2 LEU 9 3HD2 LEU 9 4.628 8.091 8.822 63 H LYS 10 H LYS 10 2.803 5.122 12.139 64 HA LYS 10 HA LYS 10 0.901 3.187 10.960 65 1HB LYS 10 1HB LYS 10 1.144 4.904 13.349 66 2HB LYS 10 2HB LYS 10 -0.495 4.725 12.723 67 1HG LYS 10 1HG LYS 10 -0.059 2.215 12.653 68 2HG LYS 10 2HG LYS 10 1.392 2.535 13.602 69 1HD LYS 10 1HD LYS 10 0.112 2.494 15.453 70 2HD LYS 10 2HD LYS 10 -0.671 3.967 14.878 71 1HE LYS 10 1HE LYS 10 -2.572 2.853 14.300 72 2HE LYS 10 2HE LYS 10 -1.660 1.520 13.562 73 1HZ LYS 10 1HZ LYS 10 -2.602 0.591 15.478 74 2HZ LYS 10 2HZ LYS 10 -2.268 1.961 16.426 75 3HZ LYS 10 3HZ LYS 10 -1.005 0.937 15.931 76 H MET 11 H MET 11 -0.024 3.791 9.070 77 HA MET 11 HA MET 11 -0.534 6.655 8.479 78 1HB MET 11 1HB MET 11 0.081 4.270 7.034 79 2HB MET 11 2HB MET 11 -1.514 4.807 6.505 80 1HG MET 11 1HG MET 11 1.055 6.406 6.504 81 2HG MET 11 2HG MET 11 0.101 5.913 5.106 82 1HE MET 11 1HE MET 11 0.926 8.911 5.308 83 2HE MET 11 2HE MET 11 -0.615 9.586 4.783 84 3HE MET 11 3HE MET 11 -0.036 8.080 4.076 85 H ASP 12 H ASP 12 -2.411 7.392 9.408 86 HA ASP 12 HA ASP 12 -4.744 5.506 9.508 87 1HB ASP 12 1HB ASP 12 -5.475 7.322 11.234 88 2HB ASP 12 2HB ASP 12 -4.196 6.199 11.678 89 H LYS 13 H LYS 13 -3.747 7.506 7.334 90 HA LYS 13 HA LYS 13 -5.474 9.679 7.000 91 1HB LYS 13 1HB LYS 13 -4.180 7.663 5.184 92 2HB LYS 13 2HB LYS 13 -5.195 8.934 4.504 93 1HG LYS 13 1HG LYS 13 -2.813 9.372 6.331 94 2HG LYS 13 2HG LYS 13 -2.820 9.633 4.584 95 1HD LYS 13 1HD LYS 13 -4.794 11.228 4.995 96 2HD LYS 13 2HD LYS 13 -4.353 11.147 6.701 97 1HE LYS 13 1HE LYS 13 -2.131 12.016 6.233 98 2HE LYS 13 2HE LYS 13 -2.434 11.947 4.487 99 1HZ LYS 13 1HZ LYS 13 -4.486 13.343 5.032 100 2HZ LYS 13 2HZ LYS 13 -2.979 14.127 5.048 101 3HZ LYS 13 3HZ LYS 13 -3.721 13.676 6.509 102 H THR 14 H THR 14 -6.159 6.253 6.704 103 HA THR 14 HA THR 14 -8.992 6.905 5.936 104 HB THR 14 HB THR 14 -8.905 4.535 4.997 105 HG1 THR 14 1HG THR 14 -7.191 3.579 5.812 106 1HG2 THR 14 1HG2 THR 14 -8.742 6.442 3.516 107 2HG2 THR 14 2HG2 THR 14 -7.549 5.246 3.010 108 3HG2 THR 14 3HG2 THR 14 -7.042 6.666 3.925 109 H LYS 15 H LYS 15 -10.394 4.805 6.594 110 HA LYS 15 HA LYS 15 -10.424 4.705 9.479 111 1HB LYS 15 1HB LYS 15 -11.916 3.640 7.156 112 2HB LYS 15 2HB LYS 15 -12.012 2.646 8.610 113 1HG LYS 15 1HG LYS 15 -13.444 4.099 9.554 114 2HG LYS 15 2HG LYS 15 -12.293 5.418 9.336 115 1HD LYS 15 1HD LYS 15 -14.120 6.143 8.063 116 2HD LYS 15 2HD LYS 15 -13.103 5.370 6.847 117 1HE LYS 15 1HE LYS 15 -14.444 3.379 6.852 118 2HE LYS 15 2HE LYS 15 -15.320 3.898 8.306 119 1HZ LYS 15 1HZ LYS 15 -16.632 4.437 6.380 120 2HZ LYS 15 2HZ LYS 15 -15.325 5.247 5.658 121 3HZ LYS 15 3HZ LYS 15 -16.049 5.877 7.059 122 H GLN 16 H GLN 16 -8.906 2.783 6.999 123 HA GLN 16 HA GLN 16 -8.230 0.641 8.972 124 1HB GLN 16 1HB GLN 16 -8.329 0.907 5.971 125 2HB GLN 16 2HB GLN 16 -7.383 -0.385 6.709 126 1HG GLN 16 1HG GLN 16 -9.274 -1.581 6.937 127 2HG GLN 16 2HG GLN 16 -9.869 -0.357 8.059 128 1HE2 GLN 16 2HE2 GLN 16 -10.269 -1.689 4.878 129 2HE2 GLN 16 1HE2 GLN 16 -11.449 -0.594 4.339 130 HA PRO 17 HA PRO 17 -4.486 3.323 8.788 131 1HB PRO 17 1HB PRO 17 -3.776 2.864 11.396 132 2HB PRO 17 2HB PRO 17 -4.913 4.135 10.903 133 1HG PRO 17 1HG PRO 17 -5.478 1.410 11.982 134 2HG PRO 17 2HG PRO 17 -6.252 2.958 12.366 135 1HD PRO 17 1HD PRO 17 -7.385 1.163 10.702 136 2HD PRO 17 2HD PRO 17 -7.580 2.918 10.478 137 H VAL 18 H VAL 18 -2.670 2.401 7.957 138 HA VAL 18 HA VAL 18 -1.970 -0.393 8.775 139 HB VAL 18 HB VAL 18 -1.673 1.245 6.250 140 1HG1 VAL 18 1HG1 VAL 18 0.458 0.038 6.781 141 2HG1 VAL 18 2HG1 VAL 18 -0.322 -0.535 5.307 142 3HG1 VAL 18 3HG1 VAL 18 -0.451 -1.473 6.796 143 1HG2 VAL 18 1HG2 VAL 18 -3.312 -1.016 7.205 144 2HG2 VAL 18 2HG2 VAL 18 -2.613 -1.255 5.603 145 3HG2 VAL 18 3HG2 VAL 18 -3.639 0.145 5.918 146 H VAL 19 H VAL 19 0.044 -0.708 9.661 147 HA VAL 19 HA VAL 19 1.715 1.664 10.218 148 HB VAL 19 HB VAL 19 1.887 -1.255 11.027 149 1HG1 VAL 19 1HG1 VAL 19 3.978 -0.513 11.619 150 2HG1 VAL 19 2HG1 VAL 19 3.097 0.109 13.014 151 3HG1 VAL 19 3HG1 VAL 19 3.479 1.177 11.665 152 1HG2 VAL 19 1HG2 VAL 19 0.319 -0.831 12.598 153 2HG2 VAL 19 2HG2 VAL 19 -0.042 0.641 11.697 154 3HG2 VAL 19 3HG2 VAL 19 1.086 0.690 13.052 155 H PHE 20 H PHE 20 3.266 2.180 8.657 156 HA PHE 20 HA PHE 20 4.348 0.055 6.903 157 1HB PHE 20 1HB PHE 20 3.719 2.276 6.013 158 2HB PHE 20 2HB PHE 20 4.887 3.039 7.092 159 HD1 PHE 20 HD1 PHE 20 4.878 0.102 4.751 160 HD2 PHE 20 HD2 PHE 20 6.886 3.661 6.056 161 HE1 PHE 20 HE1 PHE 20 6.682 -0.302 3.098 162 HE2 PHE 20 HE2 PHE 20 8.683 3.256 4.409 163 HZ PHE 20 HZ PHE 20 8.587 1.276 2.928 164 H ASN 21 H ASN 21 6.435 -0.771 7.078 165 HA ASN 21 HA ASN 21 8.087 0.228 9.364 166 1HB ASN 21 1HB ASN 21 7.026 -2.306 8.600 167 2HB ASN 21 2HB ASN 21 8.774 -2.382 8.432 168 1HD2 ASN 21 2HD2 ASN 21 6.478 -0.910 10.805 169 2HD2 ASN 21 1HD2 ASN 21 7.304 -1.480 12.173 170 H HIS 22 H HIS 22 9.367 1.727 8.140 171 HA HIS 22 HA HIS 22 10.448 1.434 5.579 172 1HB HIS 22 1HB HIS 22 11.309 2.738 8.140 173 2HB HIS 22 2HB HIS 22 12.418 2.753 6.770 174 HD1 HIS 22 HD1 HIS 22 9.592 4.543 8.158 175 HD2 HIS 22 HD2 HIS 22 11.046 3.871 4.306 176 HE1 HIS 22 HE1 HIS 22 8.589 6.343 6.691 177 H SER 23 H SER 23 11.565 -0.009 8.625 178 HA SER 23 HA SER 23 14.100 -0.968 7.921 179 1HB SER 23 1HB SER 23 13.546 -1.506 10.086 180 2HB SER 23 2HB SER 23 11.852 -1.775 9.686 181 HG SER 23 HG SER 23 13.437 -3.632 10.213 182 H THR 24 H THR 24 10.918 -2.409 7.182 183 HA THR 24 HA THR 24 12.041 -4.676 5.736 184 HB THR 24 HB THR 24 9.286 -3.831 5.145 185 HG1 THR 24 1HG THR 24 8.636 -4.181 7.331 186 1HG2 THR 24 1HG2 THR 24 9.221 -6.067 4.934 187 2HG2 THR 24 2HG2 THR 24 9.398 -6.197 6.684 188 3HG2 THR 24 3HG2 THR 24 10.826 -6.216 5.650 189 H HIS 25 H HIS 25 11.721 -1.393 5.018 190 HA HIS 25 HA HIS 25 11.687 -1.930 2.080 191 1HB HIS 25 1HB HIS 25 10.813 0.488 3.691 192 2HB HIS 25 2HB HIS 25 10.618 0.268 1.954 193 HD1 HIS 25 HD1 HIS 25 9.366 -1.025 5.255 194 HD2 HIS 25 HD2 HIS 25 8.556 -1.532 1.197 195 HE1 HIS 25 HE1 HIS 25 7.234 -2.383 5.114 196 H LYS 26 H LYS 26 13.638 -0.981 4.663 197 HA LYS 26 HA LYS 26 15.171 1.185 3.700 198 1HB LYS 26 1HB LYS 26 16.792 0.413 5.281 199 2HB LYS 26 2HB LYS 26 15.237 -0.112 5.925 200 1HG LYS 26 1HG LYS 26 15.563 -2.351 5.056 201 2HG LYS 26 2HG LYS 26 17.031 -1.854 4.213 202 1HD LYS 26 1HD LYS 26 18.152 -1.401 6.324 203 2HD LYS 26 2HD LYS 26 16.670 -1.737 7.220 204 1HE LYS 26 1HE LYS 26 17.347 -3.947 5.440 205 2HE LYS 26 2HE LYS 26 18.651 -3.607 6.596 206 1HZ LYS 26 1HZ LYS 26 17.311 -3.981 8.378 207 2HZ LYS 26 2HZ LYS 26 16.560 -5.037 7.281 208 3HZ LYS 26 3HZ LYS 26 15.898 -3.500 7.575 209 H ALA 27 H ALA 27 15.045 -2.150 2.662 210 HA ALA 27 HA ALA 27 17.486 -1.888 0.996 211 1HB ALA 27 1HB ALA 27 15.531 -4.088 1.699 212 2HB ALA 27 2HB ALA 27 17.233 -3.965 2.146 213 3HB ALA 27 3HB ALA 27 16.782 -4.314 0.477 214 H VAL 28 H VAL 28 14.232 -1.117 0.753 215 HA VAL 28 HA VAL 28 13.799 -1.894 -2.043 216 HB VAL 28 HB VAL 28 12.356 -0.207 0.009 217 1HG1 VAL 28 1HG1 VAL 28 10.458 -0.188 -1.614 218 2HG1 VAL 28 2HG1 VAL 28 11.545 -0.847 -2.837 219 3HG1 VAL 28 3HG1 VAL 28 11.842 0.754 -2.159 220 1HG2 VAL 28 1HG2 VAL 28 10.850 -2.046 0.153 221 2HG2 VAL 28 2HG2 VAL 28 12.459 -2.767 0.142 222 3HG2 VAL 28 3HG2 VAL 28 11.480 -2.770 -1.326 223 H LYS 29 H LYS 29 13.023 0.092 -3.497 224 HA LYS 29 HA LYS 29 15.315 1.957 -3.533 225 1HB LYS 29 1HB LYS 29 13.479 0.755 -5.402 226 2HB LYS 29 2HB LYS 29 13.487 2.510 -5.593 227 1HG LYS 29 1HG LYS 29 15.299 2.000 -6.921 228 2HG LYS 29 2HG LYS 29 16.114 2.153 -5.362 229 1HD LYS 29 1HD LYS 29 16.694 -0.025 -5.371 230 2HD LYS 29 2HD LYS 29 15.035 -0.520 -5.707 231 1HE LYS 29 1HE LYS 29 16.990 0.482 -7.809 232 2HE LYS 29 2HE LYS 29 16.573 -1.222 -7.536 233 1HZ LYS 29 1HZ LYS 29 14.920 0.946 -8.602 234 2HZ LYS 29 2HZ LYS 29 14.154 -0.219 -7.631 235 3HZ LYS 29 3HZ LYS 29 14.971 -0.691 -9.045 236 H CYS 30 H CYS 30 15.005 3.580 -2.110 237 HA CYS 30 HA CYS 30 12.668 4.720 -1.100 238 1HB CYS 30 1HB CYS 30 15.372 5.855 -1.830 239 2HB CYS 30 2HB CYS 30 14.142 6.868 -1.077 240 H GLY 31 H GLY 31 14.011 4.974 -4.300 241 1HA GLY 31 1HA GLY 31 12.279 7.233 -5.057 242 2HA GLY 31 2HA GLY 31 13.416 6.398 -6.119 243 H ASP 32 H ASP 32 12.052 3.813 -4.894 244 HA ASP 32 HA ASP 32 10.160 3.512 -7.111 245 1HB ASP 32 1HB ASP 32 11.764 1.898 -5.469 246 2HB ASP 32 2HB ASP 32 10.116 1.458 -5.043 247 H CYS 33 H CYS 33 10.079 4.091 -3.642 248 HA CYS 33 HA CYS 33 7.105 3.967 -3.567 249 1HB CYS 33 1HB CYS 33 9.356 4.309 -1.566 250 2HB CYS 33 2HB CYS 33 7.676 4.574 -1.105 251 H HIS 34 H HIS 34 9.675 6.260 -2.560 252 HA HIS 34 HA HIS 34 7.846 8.565 -2.863 253 1HB HIS 34 1HB HIS 34 10.757 8.205 -2.063 254 2HB HIS 34 2HB HIS 34 9.949 9.764 -2.100 255 HD1 HIS 34 HD1 HIS 34 7.573 9.738 -0.588 256 HD2 HIS 34 HD2 HIS 34 10.557 6.999 0.399 257 HE1 HIS 34 HE1 HIS 34 7.132 9.021 1.802 258 H HIS 35 H HIS 35 8.254 7.194 -5.310 259 HA HIS 35 HA HIS 35 10.265 7.646 -7.044 260 1HB HIS 35 1HB HIS 35 8.423 8.285 -8.727 261 2HB HIS 35 2HB HIS 35 8.221 6.774 -7.859 262 HD1 HIS 35 HD1 HIS 35 7.053 10.312 -7.862 263 HD2 HIS 35 HD2 HIS 35 5.941 6.668 -6.205 264 HE1 HIS 35 HE1 HIS 35 4.787 10.685 -6.805 265 HA PRO 36 HA PRO 36 11.436 11.831 -7.159 266 1HB PRO 36 1HB PRO 36 12.192 12.080 -9.783 267 2HB PRO 36 2HB PRO 36 13.153 11.214 -8.567 268 1HG PRO 36 1HG PRO 36 11.273 10.129 -10.614 269 2HG PRO 36 2HG PRO 36 12.860 9.525 -10.110 270 1HD PRO 36 1HD PRO 36 10.560 8.418 -9.238 271 2HD PRO 36 2HD PRO 36 12.021 8.494 -8.225 272 H VAL 37 H VAL 37 9.563 13.044 -6.853 273 HA VAL 37 HA VAL 37 7.740 13.531 -9.147 274 HB VAL 37 HB VAL 37 7.765 14.072 -6.179 275 1HG1 VAL 37 1HG1 VAL 37 6.294 15.524 -8.311 276 2HG1 VAL 37 2HG1 VAL 37 6.736 16.054 -6.688 277 3HG1 VAL 37 3HG1 VAL 37 5.334 15.010 -6.923 278 1HG2 VAL 37 1HG2 VAL 37 6.954 11.894 -6.826 279 2HG2 VAL 37 2HG2 VAL 37 5.947 12.588 -8.096 280 3HG2 VAL 37 3HG2 VAL 37 5.545 12.867 -6.402 281 H ASN 38 H ASN 38 7.425 15.722 -9.931 282 HA ASN 38 HA ASN 38 8.290 17.831 -10.628 283 1HB ASN 38 1HB ASN 38 7.481 17.963 -8.178 284 2HB ASN 38 2HB ASN 38 9.175 17.950 -7.751 285 1HD2 ASN 38 2HD2 ASN 38 9.539 19.436 -10.541 286 2HD2 ASN 38 1HD2 ASN 38 9.239 21.052 -10.119 287 H GLY 39 H GLY 39 10.218 15.399 -10.504 288 1HA GLY 39 1HA GLY 39 12.468 15.294 -11.296 289 2HA GLY 39 2HA GLY 39 12.680 16.988 -10.844 290 H LYS 40 H LYS 40 11.164 15.855 -8.235 291 HA LYS 40 HA LYS 40 13.659 14.766 -6.957 292 1HB LYS 40 1HB LYS 40 11.784 16.755 -5.665 293 2HB LYS 40 2HB LYS 40 13.430 16.341 -5.187 294 1HG LYS 40 1HG LYS 40 13.829 17.181 -7.758 295 2HG LYS 40 2HG LYS 40 12.491 18.219 -7.264 296 1HD LYS 40 1HD LYS 40 14.819 17.853 -5.405 297 2HD LYS 40 2HD LYS 40 14.974 18.958 -6.773 298 1HE LYS 40 1HE LYS 40 13.025 20.231 -6.026 299 2HE LYS 40 2HE LYS 40 12.747 19.078 -4.707 300 1HZ LYS 40 1HZ LYS 40 14.738 19.653 -3.674 301 2HZ LYS 40 2HZ LYS 40 14.120 21.153 -4.181 302 3HZ LYS 40 3HZ LYS 40 15.364 20.402 -5.062 303 H GLU 41 H GLU 41 13.267 13.079 -5.515 304 HA GLU 41 HA GLU 41 10.651 11.828 -5.479 305 1HB GLU 41 1HB GLU 41 13.281 11.416 -4.047 306 2HB GLU 41 2HB GLU 41 11.880 10.401 -3.710 307 1HG GLU 41 1HG GLU 41 11.861 9.493 -5.874 308 2HG GLU 41 2HG GLU 41 12.788 10.832 -6.549 309 H ASP 42 H ASP 42 8.992 12.735 -4.283 310 HA ASP 42 HA ASP 42 9.410 14.485 -2.034 311 1HB ASP 42 1HB ASP 42 7.054 12.844 -2.990 312 2HB ASP 42 2HB ASP 42 6.955 14.059 -1.718 313 H TYR 43 H TYR 43 10.628 13.535 -0.405 314 HA TYR 43 HA TYR 43 10.123 10.799 0.512 315 1HB TYR 43 1HB TYR 43 11.808 13.066 1.633 316 2HB TYR 43 2HB TYR 43 11.930 11.370 2.100 317 HD1 TYR 43 HD1 TYR 43 12.940 13.888 -0.272 318 HD2 TYR 43 HD2 TYR 43 12.529 9.648 0.301 319 HE1 TYR 43 HE1 TYR 43 14.489 13.481 -2.165 320 HE2 TYR 43 HE2 TYR 43 14.078 9.243 -1.591 321 HH TYR 43 HH TYR 43 15.645 11.949 -3.294 322 H GLN 44 H GLN 44 7.698 11.795 0.827 323 HA GLN 44 HA GLN 44 7.495 12.450 3.745 324 1HB GLN 44 1HB GLN 44 5.545 13.951 2.971 325 2HB GLN 44 2HB GLN 44 7.175 14.525 2.622 326 1HG GLN 44 1HG GLN 44 6.954 13.393 0.350 327 2HG GLN 44 2HG GLN 44 5.243 13.185 0.720 328 1HE2 GLN 44 2HE2 GLN 44 7.650 15.875 0.989 329 2HE2 GLN 44 1HE2 GLN 44 6.619 17.052 0.331 330 H LYS 45 H LYS 45 5.170 12.059 4.518 331 HA LYS 45 HA LYS 45 4.346 9.438 4.293 332 1HB LYS 45 1HB LYS 45 3.050 12.048 4.894 333 2HB LYS 45 2HB LYS 45 1.978 10.670 4.646 334 1HG LYS 45 1HG LYS 45 2.985 9.434 6.415 335 2HG LYS 45 2HG LYS 45 4.359 10.537 6.501 336 1HD LYS 45 1HD LYS 45 2.005 12.098 6.845 337 2HD LYS 45 2HD LYS 45 1.863 10.695 7.905 338 1HE LYS 45 1HE LYS 45 4.072 11.171 8.879 339 2HE LYS 45 2HE LYS 45 4.264 12.558 7.785 340 1HZ LYS 45 1HZ LYS 45 1.899 13.135 8.726 341 2HZ LYS 45 2HZ LYS 45 3.305 13.596 9.562 342 3HZ LYS 45 3HZ LYS 45 2.434 12.221 10.051 343 H CYS 46 H CYS 46 3.565 8.216 2.645 344 HA CYS 46 HA CYS 46 3.289 8.868 -0.003 345 1HB CYS 46 1HB CYS 46 1.557 7.043 1.679 346 2HB CYS 46 2HB CYS 46 1.678 6.956 -0.075 347 H ALA 47 H ALA 47 0.777 9.255 2.472 348 HA ALA 47 HA ALA 47 -0.996 10.627 0.515 349 1HB ALA 47 1HB ALA 47 -2.511 9.506 1.745 350 2HB ALA 47 2HB ALA 47 -2.087 10.517 3.124 351 3HB ALA 47 3HB ALA 47 -1.249 8.989 2.862 352 H THR 48 H THR 48 1.083 12.267 0.850 353 HA THR 48 HA THR 48 1.316 13.931 3.067 354 HB THR 48 HB THR 48 1.346 15.268 0.439 355 HG1 THR 48 1HG THR 48 2.998 13.952 -0.338 356 1HG2 THR 48 1HG2 THR 48 3.247 16.224 1.281 357 2HG2 THR 48 2HG2 THR 48 3.797 14.721 2.023 358 3HG2 THR 48 3HG2 THR 48 2.554 15.692 2.813 359 H ALA 49 H ALA 49 0.599 16.470 2.618 360 HA ALA 49 HA ALA 49 -2.283 16.471 3.082 361 1HB ALA 49 1HB ALA 49 -1.901 18.801 3.551 362 2HB ALA 49 2HB ALA 49 -0.391 18.788 2.643 363 3HB ALA 49 3HB ALA 49 -0.508 17.916 4.171 364 H GLY 50 H GLY 50 -2.184 15.443 0.639 365 1HA GLY 50 1HA GLY 50 -3.840 16.551 -1.085 366 2HA GLY 50 2HA GLY 50 -2.483 17.652 -1.335 367 H CYS 51 H CYS 51 -0.992 14.896 -0.584 368 HA CYS 51 HA CYS 51 -0.309 14.285 -3.356 369 1HB CYS 51 1HB CYS 51 0.809 14.155 -0.797 370 2HB CYS 51 2HB CYS 51 0.664 12.476 -1.283 371 H HIS 52 H HIS 52 -0.885 11.779 -0.916 372 HA HIS 52 HA HIS 52 -2.827 10.494 -2.798 373 1HB HIS 52 1HB HIS 52 -0.783 9.471 -0.833 374 2HB HIS 52 2HB HIS 52 -2.059 8.433 -1.424 375 HD1 HIS 52 HD1 HIS 52 -2.231 8.903 -4.264 376 HD2 HIS 52 HD2 HIS 52 1.459 9.007 -2.365 377 HE1 HIS 52 HE1 HIS 52 -0.494 8.481 -6.068 378 H ASP 53 H ASP 53 -3.720 12.509 -1.033 379 HA ASP 53 HA ASP 53 -4.849 11.095 1.329 380 1HB ASP 53 1HB ASP 53 -5.192 13.308 2.175 381 2HB ASP 53 2HB ASP 53 -3.622 13.342 1.373 382 H ASN 54 H ASN 54 -5.908 10.687 -1.514 383 HA ASN 54 HA ASN 54 -8.493 12.077 -1.530 384 1HB ASN 54 1HB ASN 54 -6.883 10.924 -3.405 385 2HB ASN 54 2HB ASN 54 -8.050 9.629 -3.151 386 1HD2 ASN 54 2HD2 ASN 54 -9.611 9.798 -4.766 387 2HD2 ASN 54 1HD2 ASN 54 -10.345 11.247 -5.259 388 H MET 55 H MET 55 -9.800 11.474 0.198 389 HA MET 55 HA MET 55 -9.849 8.741 1.222 390 1HB MET 55 1HB MET 55 -11.094 11.393 1.777 391 2HB MET 55 2HB MET 55 -11.948 9.973 2.381 392 1HG MET 55 1HG MET 55 -10.465 9.747 4.056 393 2HG MET 55 2HG MET 55 -9.133 9.680 2.902 394 1HE MET 55 1HE MET 55 -7.618 10.418 4.035 395 2HE MET 55 2HE MET 55 -7.677 11.647 5.296 396 3HE MET 55 3HE MET 55 -7.081 12.068 3.693 397 H ASP 56 H ASP 56 -10.550 8.857 -1.582 398 HA ASP 56 HA ASP 56 -13.476 8.216 -1.510 399 1HB ASP 56 1HB ASP 56 -12.227 10.051 -3.013 400 2HB ASP 56 2HB ASP 56 -11.940 8.647 -4.040 401 H LYS 57 H LYS 57 -10.328 6.911 -1.832 402 HA LYS 57 HA LYS 57 -9.541 4.790 -2.529 403 1HB LYS 57 1HB LYS 57 -12.341 3.991 -1.717 404 2HB LYS 57 2HB LYS 57 -10.865 3.043 -1.557 405 1HG LYS 57 1HG LYS 57 -10.244 4.112 0.350 406 2HG LYS 57 2HG LYS 57 -10.798 5.680 -0.227 407 1HD LYS 57 1HD LYS 57 -13.135 4.157 0.061 408 2HD LYS 57 2HD LYS 57 -12.170 3.778 1.487 409 1HE LYS 57 1HE LYS 57 -11.950 6.150 2.030 410 2HE LYS 57 2HE LYS 57 -12.792 6.597 0.533 411 1HZ LYS 57 1HZ LYS 57 -14.667 5.183 1.301 412 2HZ LYS 57 2HZ LYS 57 -14.398 6.545 2.281 413 3HZ LYS 57 3HZ LYS 57 -13.882 5.011 2.794 414 H LYS 58 H LYS 58 -11.203 6.491 -4.485 415 HA LYS 58 HA LYS 58 -11.853 4.260 -6.383 416 1HB LYS 58 1HB LYS 58 -13.288 6.908 -5.984 417 2HB LYS 58 2HB LYS 58 -13.745 5.651 -7.134 418 1HG LYS 58 1HG LYS 58 -13.455 4.467 -4.534 419 2HG LYS 58 2HG LYS 58 -14.515 5.871 -4.408 420 1HD LYS 58 1HD LYS 58 -15.711 4.939 -6.489 421 2HD LYS 58 2HD LYS 58 -14.841 3.438 -6.166 422 1HE LYS 58 1HE LYS 58 -15.770 3.670 -3.742 423 2HE LYS 58 2HE LYS 58 -16.931 4.799 -4.467 424 1HZ LYS 58 1HZ LYS 58 -17.485 2.291 -4.468 425 2HZ LYS 58 2HZ LYS 58 -16.378 2.206 -5.754 426 3HZ LYS 58 3HZ LYS 58 -17.758 3.189 -5.881 427 H ASP 59 H ASP 59 -10.348 7.352 -5.810 428 HA ASP 59 HA ASP 59 -10.058 8.262 -8.513 429 1HB ASP 59 1HB ASP 59 -9.676 9.755 -6.692 430 2HB ASP 59 2HB ASP 59 -8.536 8.647 -5.927 431 H LYS 60 H LYS 60 -9.299 6.659 -9.940 432 HA LYS 60 HA LYS 60 -7.054 4.915 -9.271 433 1HB LYS 60 1HB LYS 60 -8.936 5.438 -11.514 434 2HB LYS 60 2HB LYS 60 -7.391 4.710 -11.956 435 1HG LYS 60 1HG LYS 60 -9.201 3.038 -11.408 436 2HG LYS 60 2HG LYS 60 -7.741 2.871 -10.431 437 1HD LYS 60 1HD LYS 60 -8.867 4.321 -8.682 438 2HD LYS 60 2HD LYS 60 -10.351 4.174 -9.623 439 1HE LYS 60 1HE LYS 60 -10.169 1.677 -9.445 440 2HE LYS 60 2HE LYS 60 -8.776 1.901 -8.367 441 1HZ LYS 60 1HZ LYS 60 -11.494 3.035 -7.959 442 2HZ LYS 60 2HZ LYS 60 -10.154 3.306 -6.949 443 3HZ LYS 60 3HZ LYS 60 -10.819 1.747 -7.085 444 H SER 61 H SER 61 -7.045 8.132 -9.770 445 HA SER 61 HA SER 61 -4.940 8.388 -11.786 446 1HB SER 61 1HB SER 61 -6.867 9.996 -10.615 447 2HB SER 61 2HB SER 61 -5.375 10.595 -9.896 448 HG SER 61 HG SER 61 -6.062 11.497 -12.009 449 H ALA 62 H ALA 62 -3.286 10.294 -10.464 450 HA ALA 62 HA ALA 62 -1.695 8.468 -8.728 451 1HB ALA 62 1HB ALA 62 0.001 9.350 -9.926 452 2HB ALA 62 2HB ALA 62 -0.441 10.976 -9.404 453 3HB ALA 62 3HB ALA 62 -1.180 10.281 -10.846 454 H LYS 63 H LYS 63 -4.103 10.011 -7.757 455 HA LYS 63 HA LYS 63 -2.705 11.564 -5.606 456 1HB LYS 63 1HB LYS 63 -4.127 12.655 -7.660 457 2HB LYS 63 2HB LYS 63 -5.408 12.419 -6.469 458 1HG LYS 63 1HG LYS 63 -2.919 13.533 -5.352 459 2HG LYS 63 2HG LYS 63 -3.718 14.583 -6.522 460 1HD LYS 63 1HD LYS 63 -5.747 13.485 -4.858 461 2HD LYS 63 2HD LYS 63 -4.460 14.066 -3.800 462 1HE LYS 63 1HE LYS 63 -5.118 16.200 -4.158 463 2HE LYS 63 2HE LYS 63 -4.885 15.991 -5.905 464 1HZ LYS 63 1HZ LYS 63 -7.289 15.378 -4.291 465 2HZ LYS 63 2HZ LYS 63 -7.045 14.688 -5.824 466 3HZ LYS 63 3HZ LYS 63 -7.170 16.374 -5.658 467 H GLY 64 H GLY 64 -4.638 8.943 -6.290 468 1HA GLY 64 1HA GLY 64 -6.479 9.240 -4.028 469 2HA GLY 64 2HA GLY 64 -6.376 7.847 -5.094 470 H TYR 65 H TYR 65 -6.274 8.216 -2.070 471 HA TYR 65 HA TYR 65 -3.612 7.407 -1.233 472 1HB TYR 65 1HB TYR 65 -5.441 8.604 0.101 473 2HB TYR 65 2HB TYR 65 -6.247 7.040 0.212 474 HD1 TYR 65 HD1 TYR 65 -5.995 6.385 2.461 475 HD2 TYR 65 HD2 TYR 65 -2.591 7.803 0.263 476 HE1 TYR 65 HE1 TYR 65 -4.510 5.713 4.330 477 HE2 TYR 65 HE2 TYR 65 -1.105 7.134 2.131 478 HH TYR 65 HH TYR 65 -2.433 5.837 5.158 479 H TYR 66 H TYR 66 -6.735 5.670 -1.495 480 HA TYR 66 HA TYR 66 -5.525 3.095 -0.892 481 1HB TYR 66 1HB TYR 66 -7.725 3.255 -0.210 482 2HB TYR 66 2HB TYR 66 -8.175 4.282 -1.569 483 HD1 TYR 66 HD1 TYR 66 -8.072 3.151 -3.931 484 HD2 TYR 66 HD2 TYR 66 -8.361 1.015 -0.220 485 HE1 TYR 66 HE1 TYR 66 -8.967 1.172 -5.142 486 HE2 TYR 66 HE2 TYR 66 -9.246 -0.966 -1.424 487 HH TYR 66 HH TYR 66 -9.461 -1.020 -4.964 488 H HIS 67 H HIS 67 -5.583 5.000 -3.694 489 HA HIS 67 HA HIS 67 -5.858 2.826 -5.647 490 1HB HIS 67 1HB HIS 67 -6.519 4.979 -6.372 491 2HB HIS 67 2HB HIS 67 -5.086 5.744 -5.680 492 HD1 HIS 67 HD1 HIS 67 -5.910 3.171 -8.372 493 HD2 HIS 67 HD2 HIS 67 -3.056 6.088 -7.529 494 HE1 HIS 67 HE1 HIS 67 -4.318 3.202 -10.338 495 H ALA 68 H ALA 68 -3.118 5.060 -5.109 496 HA ALA 68 HA ALA 68 -1.134 3.511 -6.354 497 1HB ALA 68 1HB ALA 68 0.368 4.833 -4.722 498 2HB ALA 68 2HB ALA 68 -1.132 5.490 -4.067 499 3HB ALA 68 3HB ALA 68 -0.708 5.774 -5.756 500 H MET 69 H MET 69 -2.730 2.895 -3.328 501 HA MET 69 HA MET 69 -0.536 1.225 -2.282 502 1HB MET 69 1HB MET 69 -3.340 1.846 -1.332 503 2HB MET 69 2HB MET 69 -2.129 0.976 -0.394 504 1HG MET 69 1HG MET 69 -1.113 3.487 -1.494 505 2HG MET 69 2HG MET 69 -2.479 3.724 -0.408 506 1HE MET 69 1HE MET 69 0.615 4.163 -0.792 507 2HE MET 69 2HE MET 69 1.654 3.543 0.489 508 3HE MET 69 3HE MET 69 0.546 4.870 0.829 509 H HIS 70 H HIS 70 -3.874 0.713 -3.485 510 HA HIS 70 HA HIS 70 -3.408 -2.214 -3.350 511 1HB HIS 70 1HB HIS 70 -5.862 -0.622 -4.139 512 2HB HIS 70 2HB HIS 70 -5.812 -2.326 -3.685 513 HD1 HIS 70 HD1 HIS 70 -6.044 1.062 -2.280 514 HD2 HIS 70 HD2 HIS 70 -5.113 -2.740 -0.862 515 HE1 HIS 70 HE1 HIS 70 -6.191 1.188 0.241 516 H ASP 71 H ASP 71 -3.444 0.385 -5.635 517 HA ASP 71 HA ASP 71 -4.014 -1.293 -7.971 518 1HB ASP 71 1HB ASP 71 -3.020 1.548 -7.590 519 2HB ASP 71 2HB ASP 71 -3.562 0.869 -9.120 520 H LYS 72 H LYS 72 -2.464 -2.601 -8.844 521 HA LYS 72 HA LYS 72 0.375 -2.242 -8.185 522 1HB LYS 72 1HB LYS 72 0.589 -4.371 -9.369 523 2HB LYS 72 2HB LYS 72 -0.818 -4.439 -8.307 524 1HG LYS 72 1HG LYS 72 -2.202 -3.692 -10.323 525 2HG LYS 72 2HG LYS 72 -0.774 -4.034 -11.302 526 1HD LYS 72 1HD LYS 72 -2.359 -5.973 -9.604 527 2HD LYS 72 2HD LYS 72 -2.102 -6.026 -11.348 528 1HE LYS 72 1HE LYS 72 0.229 -6.571 -11.075 529 2HE LYS 72 2HE LYS 72 0.159 -6.243 -9.333 530 1HZ LYS 72 1HZ LYS 72 -1.696 -7.956 -9.299 531 2HZ LYS 72 2HZ LYS 72 -0.117 -8.550 -9.507 532 3HZ LYS 72 3HZ LYS 72 -1.163 -8.421 -10.841 533 H GLY 73 H GLY 73 -1.632 -2.123 -11.134 534 1HA GLY 73 1HA GLY 73 0.556 -1.408 -12.879 535 2HA GLY 73 2HA GLY 73 -1.158 -1.220 -13.259 536 H THR 74 H THR 74 1.156 0.211 -10.938 537 HA THR 74 HA THR 74 -0.085 2.879 -11.495 538 HB THR 74 HB THR 74 1.064 3.319 -9.212 539 HG1 THR 74 1HG THR 74 2.309 1.307 -9.496 540 1HG2 THR 74 1HG2 THR 74 -1.236 1.412 -9.635 541 2HG2 THR 74 2HG2 THR 74 -1.303 3.128 -9.236 542 3HG2 THR 74 3HG2 THR 74 -0.769 1.961 -8.025 543 H LYS 75 H LYS 75 1.439 4.734 -11.429 544 HA LYS 75 HA LYS 75 3.524 4.795 -13.204 545 1HB LYS 75 1HB LYS 75 2.465 6.621 -11.717 546 2HB LYS 75 2HB LYS 75 3.659 6.162 -10.508 547 1HG LYS 75 1HG LYS 75 4.322 8.091 -12.031 548 2HG LYS 75 2HG LYS 75 5.474 6.764 -11.931 549 1HD LYS 75 1HD LYS 75 4.731 5.859 -14.038 550 2HD LYS 75 2HD LYS 75 3.376 6.988 -14.102 551 1HE LYS 75 1HE LYS 75 5.946 8.356 -13.764 552 2HE LYS 75 2HE LYS 75 5.859 7.417 -15.268 553 1HZ LYS 75 1HZ LYS 75 3.625 9.130 -14.348 554 2HZ LYS 75 2HZ LYS 75 3.876 8.473 -15.894 555 3HZ LYS 75 3HZ LYS 75 4.865 9.736 -15.334 556 H PHE 76 H PHE 76 3.813 3.955 -9.752 557 HA PHE 76 HA PHE 76 6.468 2.680 -10.354 558 1HB PHE 76 1HB PHE 76 5.531 4.123 -7.859 559 2HB PHE 76 2HB PHE 76 7.135 3.451 -8.124 560 HD1 PHE 76 HD1 PHE 76 8.493 4.355 -10.127 561 HD2 PHE 76 HD2 PHE 76 4.957 6.260 -8.610 562 HE1 PHE 76 HE1 PHE 76 9.121 6.453 -11.291 563 HE2 PHE 76 HE2 PHE 76 5.585 8.355 -9.767 564 HZ PHE 76 HZ PHE 76 7.660 8.446 -11.106 565 H LYS 77 H LYS 77 6.996 1.154 -8.293 566 HA LYS 77 HA LYS 77 4.871 -0.826 -8.251 567 1HB LYS 77 1HB LYS 77 6.418 -1.994 -6.732 568 2HB LYS 77 2HB LYS 77 7.251 -1.417 -8.172 569 1HG LYS 77 1HG LYS 77 7.899 0.641 -6.827 570 2HG LYS 77 2HG LYS 77 7.294 -0.204 -5.403 571 1HD LYS 77 1HD LYS 77 9.764 -0.502 -5.752 572 2HD LYS 77 2HD LYS 77 8.870 -2.020 -5.743 573 1HE LYS 77 1HE LYS 77 9.164 -0.713 -8.400 574 2HE LYS 77 2HE LYS 77 10.633 -1.418 -7.698 575 1HZ LYS 77 1HZ LYS 77 8.622 -2.810 -8.925 576 2HZ LYS 77 2HZ LYS 77 8.333 -3.058 -7.269 577 3HZ LYS 77 3HZ LYS 77 9.838 -3.469 -7.943 578 H SER 78 H SER 78 3.123 -0.492 -7.111 579 HA SER 78 HA SER 78 2.925 1.357 -4.874 580 1HB SER 78 1HB SER 78 0.562 0.084 -4.953 581 2HB SER 78 2HB SER 78 1.007 1.303 -6.144 582 HG SER 78 HG SER 78 0.493 -1.289 -6.508 583 H CYS 79 H CYS 79 1.607 0.479 -2.883 584 HA CYS 79 HA CYS 79 3.223 -1.300 -1.369 585 1HB CYS 79 1HB CYS 79 0.281 -0.612 -1.081 586 2HB CYS 79 2HB CYS 79 1.347 -1.161 0.209 587 H VAL 80 H VAL 80 -0.136 -1.953 -2.392 588 HA VAL 80 HA VAL 80 0.100 -4.815 -2.118 589 HB VAL 80 HB VAL 80 -1.798 -2.906 -3.491 590 1HG1 VAL 80 1HG1 VAL 80 -2.632 -4.596 -4.709 591 2HG1 VAL 80 2HG1 VAL 80 -3.045 -5.421 -3.205 592 3HG1 VAL 80 3HG1 VAL 80 -1.492 -5.730 -3.982 593 1HG2 VAL 80 1HG2 VAL 80 -2.428 -2.761 -1.299 594 2HG2 VAL 80 2HG2 VAL 80 -1.569 -4.236 -0.863 595 3HG2 VAL 80 3HG2 VAL 80 -3.178 -4.332 -1.578 596 H GLY 81 H GLY 81 0.797 -2.543 -4.695 597 1HA GLY 81 1HA GLY 81 0.873 -4.477 -6.850 598 2HA GLY 81 2HA GLY 81 1.586 -2.861 -6.890 599 H CYS 82 H CYS 82 3.310 -3.066 -4.672 600 HA CYS 82 HA CYS 82 5.507 -4.629 -5.838 601 1HB CYS 82 1HB CYS 82 5.491 -2.319 -4.590 602 2HB CYS 82 2HB CYS 82 5.471 -3.299 -3.127 603 H HIS 83 H HIS 83 3.060 -4.995 -3.443 604 HA HIS 83 HA HIS 83 4.358 -7.067 -1.867 605 1HB HIS 83 1HB HIS 83 1.711 -5.705 -2.117 606 2HB HIS 83 2HB HIS 83 1.754 -7.230 -1.252 607 HD1 HIS 83 HD1 HIS 83 1.342 -5.936 1.019 608 HD2 HIS 83 HD2 HIS 83 4.885 -4.930 -0.931 609 HE1 HIS 83 HE1 HIS 83 2.755 -4.694 2.706 610 H LEU 84 H LEU 84 1.537 -7.166 -4.123 611 HA LEU 84 HA LEU 84 1.262 -9.948 -4.329 612 1HB LEU 84 1HB LEU 84 0.322 -7.588 -5.521 613 2HB LEU 84 2HB LEU 84 0.964 -8.538 -6.856 614 HG LEU 84 HG LEU 84 -0.780 -9.834 -4.788 615 1HD1 LEU 84 1HD1 LEU 84 -2.766 -9.190 -5.892 616 2HD1 LEU 84 2HD1 LEU 84 -1.893 -8.617 -7.313 617 3HD1 LEU 84 3HD1 LEU 84 -1.832 -7.696 -5.809 618 1HD2 LEU 84 1HD2 LEU 84 0.230 -11.384 -6.280 619 2HD2 LEU 84 2HD2 LEU 84 -0.025 -10.332 -7.672 620 3HD2 LEU 84 3HD2 LEU 84 -1.395 -11.150 -6.922 621 H GLU 85 H GLU 85 3.684 -7.812 -5.715 622 HA GLU 85 HA GLU 85 4.758 -9.897 -7.512 623 1HB GLU 85 1HB GLU 85 5.448 -7.033 -6.811 624 2HB GLU 85 2HB GLU 85 6.443 -7.996 -7.903 625 1HG GLU 85 1HG GLU 85 4.344 -8.443 -9.255 626 2HG GLU 85 2HG GLU 85 3.535 -7.234 -8.258 627 H THR 86 H THR 86 5.927 -8.002 -4.695 628 HA THR 86 HA THR 86 8.406 -9.332 -4.336 629 HB THR 86 HB THR 86 6.448 -7.851 -2.593 630 HG1 THR 86 1HG THR 86 8.244 -7.092 -4.158 631 1HG2 THR 86 1HG2 THR 86 9.060 -9.031 -1.609 632 2HG2 THR 86 2HG2 THR 86 7.465 -9.654 -1.187 633 3HG2 THR 86 3HG2 THR 86 7.941 -8.033 -0.681 634 H ALA 87 H ALA 87 5.182 -10.456 -3.827 635 HA ALA 87 HA ALA 87 5.967 -12.582 -1.932 636 1HB ALA 87 1HB ALA 87 3.497 -11.407 -3.110 637 2HB ALA 87 2HB ALA 87 3.827 -11.881 -1.443 638 3HB ALA 87 3HB ALA 87 3.406 -13.105 -2.642 639 H GLY 88 H GLY 88 5.103 -12.207 -5.341 640 1HA GLY 88 1HA GLY 88 5.300 -13.690 -7.147 641 2HA GLY 88 2HA GLY 88 6.552 -14.495 -6.198 642 H ALA 89 H ALA 89 5.960 -16.633 -6.484 643 HA ALA 89 HA ALA 89 3.148 -17.468 -6.172 644 1HB ALA 89 1HB ALA 89 3.934 -19.488 -7.064 645 2HB ALA 89 2HB ALA 89 5.546 -19.264 -6.385 646 3HB ALA 89 3HB ALA 89 5.037 -18.313 -7.778 647 H ASP 90 H ASP 90 4.002 -16.316 -3.795 648 HA ASP 90 HA ASP 90 4.468 -18.674 -2.013 649 1HB ASP 90 1HB ASP 90 6.318 -17.084 -2.068 650 2HB ASP 90 2HB ASP 90 5.219 -15.750 -1.734 651 H ALA 91 H ALA 91 2.104 -18.910 -2.107 652 HA ALA 91 HA ALA 91 0.047 -17.200 -1.537 653 1HB ALA 91 1HB ALA 91 -1.039 -19.114 -0.481 654 2HB ALA 91 2HB ALA 91 0.526 -19.848 -0.134 655 3HB ALA 91 3HB ALA 91 -0.025 -19.694 -1.802 656 H ALA 92 H ALA 92 2.611 -18.100 0.684 657 HA ALA 92 HA ALA 92 1.311 -17.048 3.078 658 1HB ALA 92 1HB ALA 92 3.494 -18.658 2.437 659 2HB ALA 92 2HB ALA 92 3.106 -18.061 4.051 660 3HB ALA 92 3HB ALA 92 4.242 -17.176 3.033 661 H LYS 93 H LYS 93 3.674 -15.928 0.704 662 HA LYS 93 HA LYS 93 4.101 -13.338 1.960 663 1HB LYS 93 1HB LYS 93 4.874 -14.872 -0.451 664 2HB LYS 93 2HB LYS 93 4.940 -13.125 -0.623 665 1HG LYS 93 1HG LYS 93 6.318 -13.016 1.456 666 2HG LYS 93 2HG LYS 93 6.305 -14.779 1.516 667 1HD LYS 93 1HD LYS 93 8.046 -14.842 0.094 668 2HD LYS 93 2HD LYS 93 7.079 -14.005 -1.121 669 1HE LYS 93 1HE LYS 93 8.448 -12.215 -0.881 670 2HE LYS 93 2HE LYS 93 7.848 -12.038 0.780 671 1HZ LYS 93 1HZ LYS 93 10.309 -12.441 0.568 672 2HZ LYS 93 2HZ LYS 93 9.932 -14.006 0.023 673 3HZ LYS 93 3HZ LYS 93 9.482 -13.516 1.586 674 H LYS 94 H LYS 94 1.837 -14.735 -0.308 675 HA LYS 94 HA LYS 94 0.911 -12.191 -1.419 676 1HB LYS 94 1HB LYS 94 0.480 -15.054 -1.715 677 2HB LYS 94 2HB LYS 94 -1.052 -14.180 -1.731 678 1HG LYS 94 1HG LYS 94 0.443 -12.557 -3.317 679 2HG LYS 94 2HG LYS 94 1.177 -14.118 -3.684 680 1HD LYS 94 1HD LYS 94 -1.465 -14.780 -3.749 681 2HD LYS 94 2HD LYS 94 -1.531 -13.113 -4.323 682 1HE LYS 94 1HE LYS 94 0.410 -13.786 -5.909 683 2HE LYS 94 2HE LYS 94 -0.060 -15.457 -5.537 684 1HZ LYS 94 1HZ LYS 94 -2.147 -15.169 -6.417 685 2HZ LYS 94 2HZ LYS 94 -1.241 -14.179 -7.459 686 3HZ LYS 94 3HZ LYS 94 -2.141 -13.488 -6.195 687 H LYS 95 H LYS 95 0.190 -14.163 1.370 688 HA LYS 95 HA LYS 95 -2.356 -12.781 1.949 689 1HB LYS 95 1HB LYS 95 -2.465 -14.380 3.750 690 2HB LYS 95 2HB LYS 95 -1.809 -15.236 2.356 691 1HG LYS 95 1HG LYS 95 0.067 -15.719 3.493 692 2HG LYS 95 2HG LYS 95 0.350 -14.008 3.800 693 1HD LYS 95 1HD LYS 95 -1.345 -14.181 5.686 694 2HD LYS 95 2HD LYS 95 -1.287 -15.930 5.465 695 1HE LYS 95 1HE LYS 95 1.405 -15.193 5.558 696 2HE LYS 95 2HE LYS 95 0.637 -14.190 6.805 697 1HZ LYS 95 1HZ LYS 95 -0.615 -16.310 7.411 698 2HZ LYS 95 2HZ LYS 95 1.018 -16.214 7.871 699 3HZ LYS 95 3HZ LYS 95 0.567 -17.132 6.515 700 H GLU 96 H GLU 96 1.011 -12.493 2.666 701 HA GLU 96 HA GLU 96 0.574 -10.790 5.056 702 1HB GLU 96 1HB GLU 96 2.989 -11.002 5.241 703 2HB GLU 96 2HB GLU 96 2.336 -12.582 4.846 704 1HG GLU 96 1HG GLU 96 2.913 -12.281 2.518 705 2HG GLU 96 2HG GLU 96 3.463 -10.636 2.838 706 H LEU 97 H LEU 97 1.949 -10.623 1.807 707 HA LEU 97 HA LEU 97 2.490 -7.756 1.921 708 1HB LEU 97 1HB LEU 97 2.381 -9.750 -0.353 709 2HB LEU 97 2HB LEU 97 3.137 -8.158 -0.417 710 HG LEU 97 HG LEU 97 3.977 -10.554 1.211 711 1HD1 LEU 97 1HD1 LEU 97 6.189 -9.876 0.164 712 2HD1 LEU 97 2HD1 LEU 97 5.271 -8.734 -0.818 713 3HD1 LEU 97 3HD1 LEU 97 4.964 -10.464 -0.958 714 1HD2 LEU 97 1HD2 LEU 97 4.168 -8.885 2.852 715 2HD2 LEU 97 2HD2 LEU 97 4.503 -7.624 1.665 716 3HD2 LEU 97 3HD2 LEU 97 5.745 -8.808 2.067 717 H THR 98 H THR 98 0.365 -9.602 -0.289 718 HA THR 98 HA THR 98 -1.249 -7.172 -0.736 719 HB THR 98 HB THR 98 -2.359 -8.696 -2.391 720 HG1 THR 98 1HG THR 98 -1.925 -10.757 -2.357 721 1HG2 THR 98 1HG2 THR 98 -0.687 -8.248 -3.859 722 2HG2 THR 98 2HG2 THR 98 0.492 -9.174 -2.931 723 3HG2 THR 98 3HG2 THR 98 0.122 -7.511 -2.477 724 H GLY 99 H GLY 99 -1.315 -9.765 1.452 725 1HA GLY 99 1HA GLY 99 -4.046 -10.427 1.638 726 2HA GLY 99 2HA GLY 99 -2.948 -10.402 3.017 727 H CYS 100 H CYS 100 -5.781 -9.149 2.015 728 HA CYS 100 HA CYS 100 -5.425 -6.380 2.896 729 1HB CYS 100 1HB CYS 100 -8.121 -7.530 2.765 730 2HB CYS 100 2HB CYS 100 -7.499 -6.090 2.010 731 H LYS 101 H LYS 101 -7.543 -8.997 4.076 732 HA LYS 101 HA LYS 101 -7.524 -7.674 6.739 733 1HB LYS 101 1HB LYS 101 -9.591 -8.378 5.361 734 2HB LYS 101 2HB LYS 101 -9.189 -10.025 5.847 735 1HG LYS 101 1HG LYS 101 -9.157 -9.172 8.251 736 2HG LYS 101 2HG LYS 101 -9.887 -7.688 7.635 737 1HD LYS 101 1HD LYS 101 -11.602 -9.328 6.507 738 2HD LYS 101 2HD LYS 101 -11.042 -10.459 7.738 739 1HE LYS 101 1HE LYS 101 -11.748 -9.026 9.520 740 2HE LYS 101 2HE LYS 101 -11.986 -7.657 8.415 741 1HZ LYS 101 1HZ LYS 101 -13.410 -10.235 8.086 742 2HZ LYS 101 2HZ LYS 101 -13.762 -8.743 7.351 743 3HZ LYS 101 3HZ LYS 101 -14.050 -8.965 9.011 744 H GLY 102 H GLY 102 -5.393 -9.658 5.512 745 1HA GLY 102 1HA GLY 102 -4.977 -11.080 8.050 746 2HA GLY 102 2HA GLY 102 -5.285 -12.129 6.666 747 H SER 103 H SER 103 -3.486 -9.065 6.599 748 HA SER 103 HA SER 103 -1.062 -10.637 5.833 749 1HB SER 103 1HB SER 103 -0.851 -9.241 4.042 750 2HB SER 103 2HB SER 103 -2.577 -9.082 4.267 751 HG SER 103 HG SER 103 -2.137 -7.042 4.520 752 H LYS 104 H LYS 104 0.440 -8.135 5.637 753 HA LYS 104 HA LYS 104 1.043 -7.726 8.533 754 1HB LYS 104 1HB LYS 104 2.492 -7.147 5.929 755 2HB LYS 104 2HB LYS 104 3.169 -6.863 7.532 756 1HG LYS 104 1HG LYS 104 2.084 -9.583 7.086 757 2HG LYS 104 2HG LYS 104 3.522 -9.180 6.147 758 1HD LYS 104 1HD LYS 104 4.694 -8.510 8.207 759 2HD LYS 104 2HD LYS 104 3.257 -8.895 9.155 760 1HE LYS 104 1HE LYS 104 3.439 -11.261 8.083 761 2HE LYS 104 2HE LYS 104 5.105 -10.785 7.696 762 1HZ LYS 104 1HZ LYS 104 4.483 -11.808 10.033 763 2HZ LYS 104 2HZ LYS 104 4.101 -10.190 10.378 764 3HZ LYS 104 3HZ LYS 104 5.671 -10.608 9.878 765 H CYS 105 H CYS 105 -0.009 -6.227 5.612 766 HA CYS 105 HA CYS 105 0.376 -3.466 6.432 767 1HB CYS 105 1HB CYS 105 -0.025 -4.966 4.132 768 2HB CYS 105 2HB CYS 105 -1.536 -4.113 4.322 769 H HIS 106 H HIS 106 -2.178 -5.856 6.728 770 HA HIS 106 HA HIS 106 -3.961 -3.750 7.916 771 1HB HIS 106 1HB HIS 106 -4.385 -6.012 6.011 772 2HB HIS 106 2HB HIS 106 -5.697 -5.635 7.130 773 HD1 HIS 106 HD1 HIS 106 -5.080 -2.509 7.181 774 HD2 HIS 106 HD2 HIS 106 -5.679 -4.822 3.743 775 HE1 HIS 106 HE1 HIS 106 -5.695 -0.895 5.336 776 H SER 107 H SER 107 -2.327 -4.753 9.755 777 HA SER 107 HA SER 107 -2.814 -7.307 10.881 778 1HB SER 107 1HB SER 107 -2.367 -4.911 12.619 779 2HB SER 107 2HB SER 107 -1.544 -6.468 12.633 780 HG SER 107 HG SER 107 -0.261 -4.748 11.769 781 HHA HEC 201 HHA HEC 201 5.942 8.611 5.561 782 HHB HEC 201 HHB HEC 201 12.090 9.770 4.795 783 HHC HEC 201 HHC HEC 201 12.558 4.646 1.037 784 HHD HEC 201 HHD HEC 201 6.499 3.526 1.838 785 1HMA HEC 201 1HMA HEC 201 9.771 10.582 7.969 786 2HMA HEC 201 2HMA HEC 201 10.160 11.803 6.755 787 3HMA HEC 201 3HMA HEC 201 11.287 10.484 7.069 788 1HAA HEC 201 1HAA HEC 201 6.448 9.759 7.153 789 2HAA HEC 201 2HAA HEC 201 7.764 10.724 7.822 790 1HBA HEC 201 1HBA HEC 201 6.711 11.512 5.149 791 2HBA HEC 201 2HBA HEC 201 5.694 11.849 6.552 792 1HMB HEC 201 1HMB HEC 201 15.263 8.318 4.047 793 2HMB HEC 201 2HMB HEC 201 14.738 9.441 2.794 794 3HMB HEC 201 3HMB HEC 201 14.073 9.563 4.423 795 HAB HEC 201 HAB HEC 201 14.417 5.527 1.121 796 1HBB HEC 201 1HBB HEC 201 16.682 5.733 2.291 797 2HBB HEC 201 2HBB HEC 201 15.431 4.868 3.184 798 3HBB HEC 201 3HBB HEC 201 15.820 6.536 3.605 799 1HMC HEC 201 1HMC HEC 201 11.189 1.540 0.233 800 2HMC HEC 201 2HMC HEC 201 11.060 2.714 -1.077 801 3HMC HEC 201 3HMC HEC 201 12.283 2.922 0.177 802 HAC HEC 201 HAC HEC 201 7.128 2.182 0.628 803 1HBC HEC 201 1HBC HEC 201 9.588 0.685 -0.295 804 2HBC HEC 201 2HBC HEC 201 7.954 0.051 -0.104 805 3HBC HEC 201 3HBC HEC 201 8.897 0.498 1.316 806 1HMD HEC 201 1HMD HEC 201 3.996 3.798 4.347 807 2HMD HEC 201 2HMD HEC 201 3.463 4.539 2.836 808 3HMD HEC 201 3HMD HEC 201 4.764 3.349 2.829 809 1HAD HEC 201 1HAD HEC 201 4.265 7.736 5.643 810 2HAD HEC 201 2HAD HEC 201 3.254 7.273 4.279 811 1HBD HEC 201 1HBD HEC 201 4.087 5.125 6.175 812 2HBD HEC 201 2HBD HEC 201 2.857 6.266 6.717 813 HHA HEC 202 HHA HEC 202 1.438 7.803 -9.437 814 HHB HEC 202 HHB HEC 202 2.784 4.214 -4.828 815 HHC HEC 202 HHC HEC 202 4.503 9.022 -1.210 816 HHD HEC 202 HHD HEC 202 2.898 13.023 -5.794 817 1HMA HEC 202 1HMA HEC 202 0.895 3.350 -5.791 818 2HMA HEC 202 2HMA HEC 202 1.964 2.936 -7.132 819 3HMA HEC 202 3HMA HEC 202 0.286 3.376 -7.444 820 1HAA HEC 202 1HAA HEC 202 0.918 5.410 -9.950 821 2HAA HEC 202 2HAA HEC 202 -0.169 4.560 -8.889 822 1HBA HEC 202 1HBA HEC 202 -1.462 6.582 -8.516 823 2HBA HEC 202 2HBA HEC 202 -0.334 7.513 -9.500 824 1HMB HEC 202 1HMB HEC 202 4.784 3.833 -1.654 825 2HMB HEC 202 2HMB HEC 202 3.091 3.597 -2.091 826 3HMB HEC 202 3HMB HEC 202 4.349 3.432 -3.316 827 HAB HEC 202 HAB HEC 202 4.275 7.062 0.089 828 1HBB HEC 202 1HBB HEC 202 6.630 6.145 -1.392 829 2HBB HEC 202 2HBB HEC 202 6.481 5.369 0.181 830 3HBB HEC 202 3HBB HEC 202 6.547 7.126 0.070 831 1HMC HEC 202 1HMC HEC 202 4.737 11.028 -0.508 832 2HMC HEC 202 2HMC HEC 202 5.893 12.077 -1.329 833 3HMC HEC 202 3HMC HEC 202 4.330 12.716 -0.818 834 HAC HEC 202 HAC HEC 202 2.662 14.075 -3.613 835 1HBC HEC 202 1HBC HEC 202 5.108 13.940 -2.003 836 2HBC HEC 202 2HBC HEC 202 3.812 15.132 -1.944 837 3HBC HEC 202 3HBC HEC 202 5.126 15.313 -3.104 838 1HMD HEC 202 1HMD HEC 202 1.381 13.617 -8.060 839 2HMD HEC 202 2HMD HEC 202 1.687 13.048 -9.701 840 3HMD HEC 202 3HMD HEC 202 3.036 13.505 -8.661 841 1HAD HEC 202 1HAD HEC 202 1.917 9.328 -10.700 842 2HAD HEC 202 2HAD HEC 202 1.233 10.937 -10.896 843 1HBD HEC 202 1HBD HEC 202 3.746 11.655 -10.342 844 2HBD HEC 202 2HBD HEC 202 4.075 10.051 -10.997 845 HHA HEC 203 HHA HEC 203 7.114 -6.857 4.565 846 HHB HEC 203 HHB HEC 203 2.786 -2.057 4.830 847 HHC HEC 203 HHC HEC 203 4.703 0.013 -0.571 848 HHD HEC 203 HHD HEC 203 9.036 -4.510 -0.974 849 1HMA HEC 203 1HMA HEC 203 2.295 -3.779 6.513 850 2HMA HEC 203 2HMA HEC 203 3.621 -3.330 7.585 851 3HMA HEC 203 3HMA HEC 203 3.117 -5.016 7.463 852 1HAA HEC 203 1HAA HEC 203 4.943 -6.035 7.688 853 2HAA HEC 203 2HAA HEC 203 4.743 -7.261 6.444 854 1HBA HEC 203 1HBA HEC 203 6.984 -7.659 6.290 855 2HBA HEC 203 2HBA HEC 203 7.403 -5.963 6.532 856 1HMB HEC 203 1HMB HEC 203 1.170 0.297 3.511 857 2HMB HEC 203 2HMB HEC 203 2.117 -0.245 4.896 858 3HMB HEC 203 3HMB HEC 203 2.450 1.323 4.160 859 HAB HEC 203 HAB HEC 203 2.841 0.845 -0.013 860 1HBB HEC 203 1HBB HEC 203 3.861 2.866 0.008 861 2HBB HEC 203 2HBB HEC 203 4.699 2.339 1.468 862 3HBB HEC 203 3HBB HEC 203 3.191 3.244 1.594 863 1HMC HEC 203 1HMC HEC 203 6.015 -0.820 -3.583 864 2HMC HEC 203 2HMC HEC 203 5.741 0.345 -2.287 865 3HMC HEC 203 3HMC HEC 203 7.365 0.111 -2.933 866 HAC HEC 203 HAC HEC 203 9.240 -3.466 -2.616 867 1HBC HEC 203 1HBC HEC 203 9.863 -1.767 -4.149 868 2HBC HEC 203 2HBC HEC 203 9.329 -0.879 -2.723 869 3HBC HEC 203 3HBC HEC 203 8.260 -1.034 -4.114 870 1HMD HEC 203 1HMD HEC 203 10.451 -6.022 -0.316 871 2HMD HEC 203 2HMD HEC 203 9.781 -7.648 -0.198 872 3HMD HEC 203 3HMD HEC 203 10.901 -7.065 1.034 873 1HAD HEC 203 1HAD HEC 203 10.101 -7.828 3.232 874 2HAD HEC 203 2HAD HEC 203 8.541 -8.057 4.015 875 1HBD HEC 203 1HBD HEC 203 7.914 -9.718 2.580 876 2HBD HEC 203 2HBD HEC 203 8.703 -8.958 1.197 877 HHA HEC 204 HHA HEC 204 -6.779 2.232 4.008 878 HHB HEC 204 HHB HEC 204 -9.941 -2.221 0.869 879 HHC HEC 204 HHC HEC 204 -4.661 -5.860 1.066 880 HHD HEC 204 HHD HEC 204 -1.414 -0.862 2.823 881 1HMA HEC 204 1HMA HEC 204 -10.943 0.970 0.919 882 2HMA HEC 204 2HMA HEC 204 -11.628 0.528 2.484 883 3HMA HEC 204 3HMA HEC 204 -11.292 -0.721 1.285 884 1HAA HEC 204 1HAA HEC 204 -10.162 2.132 4.242 885 2HAA HEC 204 2HAA HEC 204 -8.583 2.856 3.938 886 1HBA HEC 204 1HBA HEC 204 -9.234 3.196 1.555 887 2HBA HEC 204 2HBA HEC 204 -10.828 2.555 1.931 888 1HMB HEC 204 1HMB HEC 204 -10.022 -5.573 -0.201 889 2HMB HEC 204 2HMB HEC 204 -9.494 -4.666 -1.618 890 3HMB HEC 204 3HMB HEC 204 -10.373 -3.849 -0.326 891 HAB HEC 204 HAB HEC 204 -6.279 -6.938 0.334 892 1HBB HEC 204 1HBB HEC 204 -5.463 -6.321 -1.775 893 2HBB HEC 204 2HBB HEC 204 -7.042 -5.770 -2.333 894 3HBB HEC 204 3HBB HEC 204 -6.720 -7.496 -2.162 895 1HMC HEC 204 1HMC HEC 204 -1.566 -6.030 0.643 896 2HMC HEC 204 2HMC HEC 204 -1.374 -6.074 2.395 897 3HMC HEC 204 3HMC HEC 204 -2.899 -6.570 1.663 898 HAC HEC 204 HAC HEC 204 -0.293 -2.331 2.983 899 1HBC HEC 204 1HBC HEC 204 0.253 -2.608 0.523 900 2HBC HEC 204 2HBC HEC 204 0.480 -4.329 0.829 901 3HBC HEC 204 3HBC HEC 204 1.530 -3.148 1.612 902 1HMD HEC 204 1HMD HEC 204 -1.631 2.637 4.347 903 2HMD HEC 204 2HMD HEC 204 -1.095 0.965 4.521 904 3HMD HEC 204 3HMD HEC 204 -1.029 1.752 2.946 905 1HAD HEC 204 1HAD HEC 204 -3.718 3.921 3.846 906 2HAD HEC 204 2HAD HEC 204 -5.352 3.512 4.354 907 1HBD HEC 204 1HBD HEC 204 -4.060 2.293 6.328 908 2HBD HEC 204 2HBD HEC 204 -2.820 3.476 5.923 Start of MODEL 8 1 1H ALA 1 1H ALA 1 18.501 14.958 1.185 2 2H ALA 1 2H ALA 1 19.899 14.561 0.304 3 3H ALA 1 3H ALA 1 20.028 15.392 1.780 4 HA ALA 1 HA ALA 1 19.555 12.544 1.285 5 1HB ALA 1 1HB ALA 1 21.049 12.512 3.298 6 2HB ALA 1 2HB ALA 1 20.989 14.275 3.327 7 3HB ALA 1 3HB ALA 1 21.730 13.440 1.961 8 HA PRO 2 HA PRO 2 15.899 13.316 3.884 9 1HB PRO 2 1HB PRO 2 14.574 11.068 3.066 10 2HB PRO 2 2HB PRO 2 14.544 12.589 2.158 11 1HG PRO 2 1HG PRO 2 16.139 10.127 1.672 12 2HG PRO 2 2HG PRO 2 15.377 11.225 0.511 13 1HD PRO 2 1HD PRO 2 18.048 11.244 1.086 14 2HD PRO 2 2HD PRO 2 17.151 12.667 0.512 15 H LYS 3 H LYS 3 15.799 12.578 5.984 16 HA LYS 3 HA LYS 3 17.359 10.154 6.696 17 1HB LYS 3 1HB LYS 3 15.912 12.162 8.430 18 2HB LYS 3 2HB LYS 3 17.151 11.017 8.938 19 1HG LYS 3 1HG LYS 3 18.638 12.191 7.145 20 2HG LYS 3 2HG LYS 3 17.459 13.497 7.261 21 1HD LYS 3 1HD LYS 3 18.892 12.308 9.652 22 2HD LYS 3 2HD LYS 3 19.427 13.763 8.811 23 1HE LYS 3 1HE LYS 3 17.905 15.022 9.921 24 2HE LYS 3 2HE LYS 3 16.591 13.931 9.433 25 1HZ LYS 3 1HZ LYS 3 17.486 12.347 11.142 26 2HZ LYS 3 2HZ LYS 3 16.764 13.750 11.772 27 3HZ LYS 3 3HZ LYS 3 18.457 13.612 11.717 28 H ALA 4 H ALA 4 15.840 8.624 5.837 29 HA ALA 4 HA ALA 4 13.132 8.308 6.146 30 1HB ALA 4 1HB ALA 4 15.279 6.721 5.496 31 2HB ALA 4 2HB ALA 4 13.611 6.152 5.570 32 3HB ALA 4 3HB ALA 4 14.682 5.929 6.954 33 HA PRO 5 HA PRO 5 12.510 8.386 10.507 34 1HB PRO 5 1HB PRO 5 9.863 7.672 10.488 35 2HB PRO 5 2HB PRO 5 10.447 9.292 10.076 36 1HG PRO 5 1HG PRO 5 9.447 7.149 8.311 37 2HG PRO 5 2HG PRO 5 9.446 8.900 8.084 38 1HD PRO 5 1HD PRO 5 11.220 7.079 6.898 39 2HD PRO 5 2HD PRO 5 11.385 8.844 6.932 40 H ALA 6 H ALA 6 11.919 6.875 12.252 41 HA ALA 6 HA ALA 6 13.021 4.293 11.973 42 1HB ALA 6 1HB ALA 6 12.899 4.953 14.166 43 2HB ALA 6 2HB ALA 6 11.374 4.067 14.120 44 3HB ALA 6 3HB ALA 6 11.382 5.819 13.922 45 H ASP 7 H ASP 7 11.508 2.331 12.746 46 HA ASP 7 HA ASP 7 9.547 1.938 10.581 47 1HB ASP 7 1HB ASP 7 10.362 0.048 12.797 48 2HB ASP 7 2HB ASP 7 9.792 -0.353 11.181 49 H GLY 8 H GLY 8 7.398 1.061 11.142 50 1HA GLY 8 1HA GLY 8 5.604 0.677 12.728 51 2HA GLY 8 2HA GLY 8 6.455 1.697 13.885 52 H LEU 9 H LEU 9 6.427 2.997 10.730 53 HA LEU 9 HA LEU 9 4.975 5.336 11.476 54 1HB LEU 9 1HB LEU 9 6.418 4.369 9.281 55 2HB LEU 9 2HB LEU 9 4.796 4.658 8.646 56 HG LEU 9 HG LEU 9 5.933 6.737 10.446 57 1HD1 LEU 9 1HD1 LEU 9 6.884 7.685 8.131 58 2HD1 LEU 9 2HD1 LEU 9 7.048 5.964 7.780 59 3HD1 LEU 9 3HD1 LEU 9 7.870 6.662 9.177 60 1HD2 LEU 9 1HD2 LEU 9 4.859 7.759 8.026 61 2HD2 LEU 9 2HD2 LEU 9 4.117 7.780 9.627 62 3HD2 LEU 9 3HD2 LEU 9 3.803 6.435 8.531 63 H LYS 10 H LYS 10 2.824 5.515 11.846 64 HA LYS 10 HA LYS 10 1.039 3.328 10.921 65 1HB LYS 10 1HB LYS 10 1.158 5.299 13.097 66 2HB LYS 10 2HB LYS 10 -0.457 5.061 12.431 67 1HG LYS 10 1HG LYS 10 0.061 2.530 12.613 68 2HG LYS 10 2HG LYS 10 1.363 3.022 13.698 69 1HD LYS 10 1HD LYS 10 -0.229 4.162 15.156 70 2HD LYS 10 2HD LYS 10 -1.549 3.792 14.045 71 1HE LYS 10 1HE LYS 10 -1.196 1.371 14.419 72 2HE LYS 10 2HE LYS 10 0.125 1.743 15.545 73 1HZ LYS 10 1HZ LYS 10 -1.692 3.333 16.541 74 2HZ LYS 10 2HZ LYS 10 -1.616 1.698 16.999 75 3HZ LYS 10 3HZ LYS 10 -2.754 2.208 15.844 76 H MET 11 H MET 11 0.115 3.624 8.973 77 HA MET 11 HA MET 11 -0.421 6.337 7.913 78 1HB MET 11 1HB MET 11 -0.280 3.518 6.949 79 2HB MET 11 2HB MET 11 -1.375 4.589 6.073 80 1HG MET 11 1HG MET 11 0.517 6.232 5.864 81 2HG MET 11 2HG MET 11 1.580 5.012 6.565 82 1HE MET 11 1HE MET 11 1.319 2.395 5.587 83 2HE MET 11 2HE MET 11 0.602 2.047 4.016 84 3HE MET 11 3HE MET 11 -0.415 2.633 5.329 85 H ASP 12 H ASP 12 -2.196 7.123 9.113 86 HA ASP 12 HA ASP 12 -4.616 5.359 9.251 87 1HB ASP 12 1HB ASP 12 -5.229 7.184 10.990 88 2HB ASP 12 2HB ASP 12 -3.947 6.051 11.397 89 H LYS 13 H LYS 13 -3.591 7.279 7.026 90 HA LYS 13 HA LYS 13 -5.202 9.542 6.715 91 1HB LYS 13 1HB LYS 13 -4.107 7.430 4.869 92 2HB LYS 13 2HB LYS 13 -5.026 8.788 4.226 93 1HG LYS 13 1HG LYS 13 -2.573 9.017 5.995 94 2HG LYS 13 2HG LYS 13 -2.593 9.269 4.248 95 1HD LYS 13 1HD LYS 13 -4.336 11.065 4.617 96 2HD LYS 13 2HD LYS 13 -4.038 10.902 6.349 97 1HE LYS 13 1HE LYS 13 -1.941 11.872 6.218 98 2HE LYS 13 2HE LYS 13 -1.666 11.295 4.562 99 1HZ LYS 13 1HZ LYS 13 -3.596 13.402 5.383 100 2HZ LYS 13 2HZ LYS 13 -3.411 12.809 3.802 101 3HZ LYS 13 3HZ LYS 13 -2.142 13.659 4.548 102 H THR 14 H THR 14 -6.080 6.158 6.445 103 HA THR 14 HA THR 14 -8.890 6.953 5.740 104 HB THR 14 HB THR 14 -8.956 4.556 4.872 105 HG1 THR 14 1HG THR 14 -7.301 3.488 5.621 106 1HG2 THR 14 1HG2 THR 14 -6.785 6.168 3.544 107 2HG2 THR 14 2HG2 THR 14 -8.464 6.710 3.529 108 3HG2 THR 14 3HG2 THR 14 -8.029 5.167 2.793 109 H LYS 15 H LYS 15 -10.347 4.859 6.453 110 HA LYS 15 HA LYS 15 -10.387 4.884 9.343 111 1HB LYS 15 1HB LYS 15 -11.891 3.746 7.061 112 2HB LYS 15 2HB LYS 15 -12.010 2.821 8.558 113 1HG LYS 15 1HG LYS 15 -13.485 4.321 9.353 114 2HG LYS 15 2HG LYS 15 -12.249 5.575 9.242 115 1HD LYS 15 1HD LYS 15 -12.868 6.066 6.949 116 2HD LYS 15 2HD LYS 15 -13.989 4.703 6.918 117 1HE LYS 15 1HE LYS 15 -15.230 5.830 8.845 118 2HE LYS 15 2HE LYS 15 -14.237 7.265 8.522 119 1HZ LYS 15 1HZ LYS 15 -16.151 5.907 6.725 120 2HZ LYS 15 2HZ LYS 15 -14.907 6.881 6.099 121 3HZ LYS 15 3HZ LYS 15 -16.072 7.550 7.138 122 H GLN 16 H GLN 16 -8.908 2.837 6.939 123 HA GLN 16 HA GLN 16 -8.257 0.766 8.992 124 1HB GLN 16 1HB GLN 16 -8.520 0.917 6.018 125 2HB GLN 16 2HB GLN 16 -7.367 -0.249 6.668 126 1HG GLN 16 1HG GLN 16 -9.247 -1.037 8.212 127 2HG GLN 16 2HG GLN 16 -10.337 -0.081 7.208 128 1HE2 GLN 16 2HE2 GLN 16 -10.446 -0.681 4.854 129 2HE2 GLN 16 1HE2 GLN 16 -10.081 -2.271 4.386 130 HA PRO 17 HA PRO 17 -4.479 3.384 8.683 131 1HB PRO 17 1HB PRO 17 -3.757 3.022 11.305 132 2HB PRO 17 2HB PRO 17 -4.880 4.289 10.767 133 1HG PRO 17 1HG PRO 17 -5.476 1.620 11.962 134 2HG PRO 17 2HG PRO 17 -6.228 3.192 12.285 135 1HD PRO 17 1HD PRO 17 -7.391 1.342 10.702 136 2HD PRO 17 2HD PRO 17 -7.567 3.089 10.409 137 H VAL 18 H VAL 18 -2.530 2.507 8.089 138 HA VAL 18 HA VAL 18 -1.932 -0.302 8.941 139 HB VAL 18 HB VAL 18 -1.638 1.211 6.342 140 1HG1 VAL 18 1HG1 VAL 18 -0.315 -0.623 5.471 141 2HG1 VAL 18 2HG1 VAL 18 -0.441 -1.493 7.001 142 3HG1 VAL 18 3HG1 VAL 18 0.484 0.006 6.912 143 1HG2 VAL 18 1HG2 VAL 18 -3.287 -0.990 7.418 144 2HG2 VAL 18 2HG2 VAL 18 -2.617 -1.297 5.815 145 3HG2 VAL 18 3HG2 VAL 18 -3.625 0.123 6.093 146 H VAL 19 H VAL 19 0.086 -0.591 9.860 147 HA VAL 19 HA VAL 19 1.801 1.765 10.271 148 HB VAL 19 HB VAL 19 1.752 -1.116 11.190 149 1HG1 VAL 19 1HG1 VAL 19 4.080 -0.681 11.083 150 2HG1 VAL 19 2HG1 VAL 19 3.643 -0.307 12.750 151 3HG1 VAL 19 3HG1 VAL 19 3.874 0.997 11.585 152 1HG2 VAL 19 1HG2 VAL 19 1.105 -0.212 13.276 153 2HG2 VAL 19 2HG2 VAL 19 0.214 0.760 12.107 154 3HG2 VAL 19 3HG2 VAL 19 1.678 1.401 12.853 155 H PHE 20 H PHE 20 3.517 2.222 8.895 156 HA PHE 20 HA PHE 20 4.448 0.055 7.061 157 1HB PHE 20 1HB PHE 20 3.689 2.148 6.031 158 2HB PHE 20 2HB PHE 20 4.807 3.074 7.029 159 HD1 PHE 20 HD1 PHE 20 4.857 0.099 4.745 160 HD2 PHE 20 HD2 PHE 20 6.871 3.648 6.078 161 HE1 PHE 20 HE1 PHE 20 6.657 -0.296 3.087 162 HE2 PHE 20 HE2 PHE 20 8.663 3.252 4.419 163 HZ PHE 20 HZ PHE 20 8.562 1.281 2.925 164 H ASN 21 H ASN 21 6.264 -0.996 7.765 165 HA ASN 21 HA ASN 21 8.102 0.335 9.660 166 1HB ASN 21 1HB ASN 21 7.151 -2.306 8.985 167 2HB ASN 21 2HB ASN 21 8.907 -2.272 8.937 168 1HD2 ASN 21 2HD2 ASN 21 8.642 -3.713 10.952 169 2HD2 ASN 21 1HD2 ASN 21 8.446 -2.938 12.450 170 H HIS 22 H HIS 22 9.334 1.783 8.343 171 HA HIS 22 HA HIS 22 10.287 1.422 5.739 172 1HB HIS 22 1HB HIS 22 11.243 2.807 8.216 173 2HB HIS 22 2HB HIS 22 12.332 2.747 6.833 174 HD1 HIS 22 HD1 HIS 22 9.553 4.634 8.186 175 HD2 HIS 22 HD2 HIS 22 10.952 3.807 4.343 176 HE1 HIS 22 HE1 HIS 22 8.583 6.413 6.675 177 H SER 23 H SER 23 11.537 0.058 8.766 178 HA SER 23 HA SER 23 14.039 -0.927 7.985 179 1HB SER 23 1HB SER 23 11.910 -1.580 9.907 180 2HB SER 23 2HB SER 23 12.923 -2.960 9.495 181 HG SER 23 HG SER 23 14.152 -0.503 10.011 182 H THR 24 H THR 24 10.827 -2.382 7.422 183 HA THR 24 HA THR 24 11.846 -4.714 6.029 184 HB THR 24 HB THR 24 9.147 -3.911 5.324 185 HG1 THR 24 1HG THR 24 8.823 -2.778 7.075 186 1HG2 THR 24 1HG2 THR 24 8.970 -6.133 5.587 187 2HG2 THR 24 2HG2 THR 24 9.234 -5.949 7.321 188 3HG2 THR 24 3HG2 THR 24 10.607 -6.188 6.240 189 H HIS 25 H HIS 25 11.597 -1.439 5.179 190 HA HIS 25 HA HIS 25 11.599 -2.106 2.268 191 1HB HIS 25 1HB HIS 25 10.716 0.387 3.752 192 2HB HIS 25 2HB HIS 25 10.539 0.086 2.026 193 HD1 HIS 25 HD1 HIS 25 9.239 -1.043 5.369 194 HD2 HIS 25 HD2 HIS 25 8.462 -1.718 1.331 195 HE1 HIS 25 HE1 HIS 25 7.085 -2.369 5.267 196 H LYS 26 H LYS 26 13.521 -1.046 4.830 197 HA LYS 26 HA LYS 26 15.063 1.083 3.819 198 1HB LYS 26 1HB LYS 26 16.844 0.078 5.270 199 2HB LYS 26 2HB LYS 26 15.273 0.137 6.072 200 1HG LYS 26 1HG LYS 26 15.798 -2.057 6.518 201 2HG LYS 26 2HG LYS 26 15.052 -2.283 4.936 202 1HD LYS 26 1HD LYS 26 17.254 -2.191 3.858 203 2HD LYS 26 2HD LYS 26 18.021 -1.899 5.419 204 1HE LYS 26 1HE LYS 26 16.347 -4.233 5.638 205 2HE LYS 26 2HE LYS 26 17.435 -4.420 4.247 206 1HZ LYS 26 1HZ LYS 26 18.154 -3.770 7.048 207 2HZ LYS 26 2HZ LYS 26 19.223 -3.508 5.755 208 3HZ LYS 26 3HZ LYS 26 18.687 -5.080 6.113 209 H ALA 27 H ALA 27 14.829 -2.197 2.719 210 HA ALA 27 HA ALA 27 17.335 -2.002 1.125 211 1HB ALA 27 1HB ALA 27 15.621 -4.369 0.832 212 2HB ALA 27 2HB ALA 27 16.029 -4.023 2.513 213 3HB ALA 27 3HB ALA 27 17.311 -4.268 1.325 214 H VAL 28 H VAL 28 14.106 -1.159 0.821 215 HA VAL 28 HA VAL 28 13.705 -1.950 -1.978 216 HB VAL 28 HB VAL 28 12.256 -0.184 0.010 217 1HG1 VAL 28 1HG1 VAL 28 10.379 -0.242 -1.653 218 2HG1 VAL 28 2HG1 VAL 28 11.504 -0.927 -2.826 219 3HG1 VAL 28 3HG1 VAL 28 11.771 0.697 -2.190 220 1HG2 VAL 28 1HG2 VAL 28 10.621 -2.022 0.000 221 2HG2 VAL 28 2HG2 VAL 28 12.221 -2.628 0.432 222 3HG2 VAL 28 3HG2 VAL 28 11.589 -2.887 -1.194 223 H LYS 29 H LYS 29 13.014 0.025 -3.475 224 HA LYS 29 HA LYS 29 15.340 1.840 -3.497 225 1HB LYS 29 1HB LYS 29 13.464 0.699 -5.365 226 2HB LYS 29 2HB LYS 29 13.520 2.454 -5.548 227 1HG LYS 29 1HG LYS 29 15.315 1.922 -6.878 228 2HG LYS 29 2HG LYS 29 16.142 2.007 -5.321 229 1HD LYS 29 1HD LYS 29 16.865 -0.066 -6.124 230 2HD LYS 29 2HD LYS 29 15.475 -0.527 -5.140 231 1HE LYS 29 1HE LYS 29 14.873 -1.637 -7.074 232 2HE LYS 29 2HE LYS 29 14.229 -0.041 -7.511 233 1HZ LYS 29 1HZ LYS 29 15.998 0.423 -8.839 234 2HZ LYS 29 2HZ LYS 29 16.007 -1.267 -9.013 235 3HZ LYS 29 3HZ LYS 29 17.082 -0.515 -7.934 236 H CYS 30 H CYS 30 15.090 3.470 -2.078 237 HA CYS 30 HA CYS 30 12.814 4.667 -1.018 238 1HB CYS 30 1HB CYS 30 15.533 5.710 -1.807 239 2HB CYS 30 2HB CYS 30 14.353 6.780 -1.055 240 H GLY 31 H GLY 31 14.059 4.910 -4.265 241 1HA GLY 31 1HA GLY 31 12.314 7.200 -4.927 242 2HA GLY 31 2HA GLY 31 13.449 6.416 -6.028 243 H ASP 32 H ASP 32 12.086 3.795 -4.813 244 HA ASP 32 HA ASP 32 10.224 3.506 -7.055 245 1HB ASP 32 1HB ASP 32 11.797 1.889 -5.372 246 2HB ASP 32 2HB ASP 32 10.135 1.439 -5.014 247 H CYS 33 H CYS 33 10.094 4.096 -3.593 248 HA CYS 33 HA CYS 33 7.120 3.954 -3.562 249 1HB CYS 33 1HB CYS 33 9.370 4.184 -1.563 250 2HB CYS 33 2HB CYS 33 7.736 4.626 -1.079 251 H HIS 34 H HIS 34 9.698 6.261 -2.592 252 HA HIS 34 HA HIS 34 7.838 8.548 -2.888 253 1HB HIS 34 1HB HIS 34 10.744 8.237 -2.054 254 2HB HIS 34 2HB HIS 34 9.900 9.775 -2.089 255 HD1 HIS 34 HD1 HIS 34 7.492 9.664 -0.619 256 HD2 HIS 34 HD2 HIS 34 10.549 7.024 0.407 257 HE1 HIS 34 HE1 HIS 34 7.037 8.925 1.761 258 H HIS 35 H HIS 35 8.279 7.180 -5.314 259 HA HIS 35 HA HIS 35 10.297 7.639 -7.041 260 1HB HIS 35 1HB HIS 35 8.443 8.232 -8.731 261 2HB HIS 35 2HB HIS 35 8.259 6.732 -7.842 262 HD1 HIS 35 HD1 HIS 35 7.038 10.249 -7.918 263 HD2 HIS 35 HD2 HIS 35 5.999 6.637 -6.145 264 HE1 HIS 35 HE1 HIS 35 4.778 10.618 -6.847 265 HA PRO 36 HA PRO 36 11.405 11.832 -7.321 266 1HB PRO 36 1HB PRO 36 11.917 12.099 -10.003 267 2HB PRO 36 2HB PRO 36 12.990 11.233 -8.884 268 1HG PRO 36 1HG PRO 36 10.932 10.145 -10.752 269 2HG PRO 36 2HG PRO 36 12.566 9.551 -10.405 270 1HD PRO 36 1HD PRO 36 10.375 8.417 -9.323 271 2HD PRO 36 2HD PRO 36 11.920 8.512 -8.448 272 H VAL 37 H VAL 37 9.614 13.090 -6.859 273 HA VAL 37 HA VAL 37 7.656 13.638 -9.053 274 HB VAL 37 HB VAL 37 7.651 13.794 -6.041 275 1HG1 VAL 37 1HG1 VAL 37 5.198 14.699 -6.579 276 2HG1 VAL 37 2HG1 VAL 37 6.016 15.351 -8.000 277 3HG1 VAL 37 3HG1 VAL 37 6.560 15.804 -6.385 278 1HG2 VAL 37 1HG2 VAL 37 6.872 11.701 -6.702 279 2HG2 VAL 37 2HG2 VAL 37 6.167 12.322 -8.195 280 3HG2 VAL 37 3HG2 VAL 37 5.365 12.615 -6.653 281 H ASN 38 H ASN 38 7.104 15.914 -9.427 282 HA ASN 38 HA ASN 38 7.789 18.152 -9.853 283 1HB ASN 38 1HB ASN 38 7.160 17.856 -7.370 284 2HB ASN 38 2HB ASN 38 8.877 17.907 -7.055 285 1HD2 ASN 38 2HD2 ASN 38 6.324 19.924 -6.923 286 2HD2 ASN 38 1HD2 ASN 38 7.056 21.386 -7.379 287 H GLY 39 H GLY 39 9.894 15.846 -10.149 288 1HA GLY 39 1HA GLY 39 12.069 16.060 -11.141 289 2HA GLY 39 2HA GLY 39 12.204 17.673 -10.432 290 H LYS 40 H LYS 40 10.999 16.112 -7.920 291 HA LYS 40 HA LYS 40 13.580 14.855 -7.050 292 1HB LYS 40 1HB LYS 40 13.369 16.177 -4.935 293 2HB LYS 40 2HB LYS 40 13.591 17.200 -6.355 294 1HG LYS 40 1HG LYS 40 11.051 17.383 -6.465 295 2HG LYS 40 2HG LYS 40 11.017 16.635 -4.868 296 1HD LYS 40 1HD LYS 40 12.278 18.438 -3.904 297 2HD LYS 40 2HD LYS 40 12.637 19.115 -5.492 298 1HE LYS 40 1HE LYS 40 9.978 19.185 -5.686 299 2HE LYS 40 2HE LYS 40 10.094 19.240 -3.915 300 1HZ LYS 40 1HZ LYS 40 11.104 21.143 -5.902 301 2HZ LYS 40 2HZ LYS 40 12.016 20.916 -4.487 302 3HZ LYS 40 3HZ LYS 40 10.403 21.438 -4.387 303 H GLU 41 H GLU 41 13.265 13.078 -5.681 304 HA GLU 41 HA GLU 41 10.666 11.863 -5.523 305 1HB GLU 41 1HB GLU 41 13.296 11.425 -4.085 306 2HB GLU 41 2HB GLU 41 11.904 10.366 -3.869 307 1HG GLU 41 1HG GLU 41 12.004 9.566 -6.059 308 2HG GLU 41 2HG GLU 41 12.852 10.995 -6.650 309 H ASP 42 H ASP 42 9.047 12.812 -4.300 310 HA ASP 42 HA ASP 42 9.532 14.478 -2.004 311 1HB ASP 42 1HB ASP 42 7.144 12.952 -3.051 312 2HB ASP 42 2HB ASP 42 7.057 14.026 -1.656 313 H TYR 43 H TYR 43 10.792 13.410 -0.479 314 HA TYR 43 HA TYR 43 10.211 10.677 0.384 315 1HB TYR 43 1HB TYR 43 12.048 12.875 1.394 316 2HB TYR 43 2HB TYR 43 12.066 11.216 1.994 317 HD1 TYR 43 HD1 TYR 43 13.251 13.456 -0.546 318 HD2 TYR 43 HD2 TYR 43 12.419 9.322 0.275 319 HE1 TYR 43 HE1 TYR 43 14.705 12.787 -2.439 320 HE2 TYR 43 HE2 TYR 43 13.873 8.654 -1.618 321 HH TYR 43 HH TYR 43 16.105 10.458 -2.946 322 H GLN 44 H GLN 44 7.862 12.035 0.750 323 HA GLN 44 HA GLN 44 7.760 12.469 3.720 324 1HB GLN 44 1HB GLN 44 5.888 14.107 3.074 325 2HB GLN 44 2HB GLN 44 7.530 14.601 2.662 326 1HG GLN 44 1HG GLN 44 7.246 13.972 0.372 327 2HG GLN 44 2HG GLN 44 5.740 13.123 0.723 328 1HE2 GLN 44 2HE2 GLN 44 6.753 16.370 1.880 329 2HE2 GLN 44 1HE2 GLN 44 5.463 17.200 1.153 330 H LYS 45 H LYS 45 5.336 12.283 4.442 331 HA LYS 45 HA LYS 45 4.396 9.705 4.265 332 1HB LYS 45 1HB LYS 45 2.105 10.826 4.648 333 2HB LYS 45 2HB LYS 45 3.388 11.210 5.790 334 1HG LYS 45 1HG LYS 45 3.905 13.256 4.436 335 2HG LYS 45 2HG LYS 45 2.501 12.894 3.432 336 1HD LYS 45 1HD LYS 45 0.991 13.376 5.130 337 2HD LYS 45 2HD LYS 45 2.154 13.016 6.406 338 1HE LYS 45 1HE LYS 45 3.136 15.210 4.798 339 2HE LYS 45 2HE LYS 45 1.506 15.573 5.397 340 1HZ LYS 45 1HZ LYS 45 3.516 15.991 6.944 341 2HZ LYS 45 2HZ LYS 45 3.490 14.307 7.170 342 3HZ LYS 45 3HZ LYS 45 2.133 15.243 7.580 343 H CYS 46 H CYS 46 3.329 8.472 2.778 344 HA CYS 46 HA CYS 46 3.280 9.053 0.028 345 1HB CYS 46 1HB CYS 46 1.576 7.249 1.761 346 2HB CYS 46 2HB CYS 46 1.655 7.130 0.007 347 H ALA 47 H ALA 47 0.774 9.551 2.480 348 HA ALA 47 HA ALA 47 -0.967 10.860 0.429 349 1HB ALA 47 1HB ALA 47 -1.307 9.318 2.933 350 2HB ALA 47 2HB ALA 47 -2.308 9.337 1.482 351 3HB ALA 47 3HB ALA 47 -2.462 10.624 2.677 352 H THR 48 H THR 48 1.134 12.464 1.147 353 HA THR 48 HA THR 48 1.051 14.065 3.409 354 HB THR 48 HB THR 48 1.414 15.287 0.693 355 HG1 THR 48 1HG THR 48 3.435 13.702 1.776 356 1HG2 THR 48 1HG2 THR 48 2.122 15.919 3.360 357 2HG2 THR 48 2HG2 THR 48 2.592 16.777 1.893 358 3HG2 THR 48 3HG2 THR 48 3.620 15.494 2.531 359 H ALA 49 H ALA 49 0.433 16.633 2.914 360 HA ALA 49 HA ALA 49 -2.442 16.746 3.177 361 1HB ALA 49 1HB ALA 49 -1.676 19.312 2.806 362 2HB ALA 49 2HB ALA 49 -0.103 18.586 3.131 363 3HB ALA 49 3HB ALA 49 -1.400 18.450 4.318 364 H GLY 50 H GLY 50 -0.478 16.509 0.436 365 1HA GLY 50 1HA GLY 50 -2.753 17.253 -1.309 366 2HA GLY 50 2HA GLY 50 -1.230 18.108 -1.584 367 H CYS 51 H CYS 51 -0.996 14.939 -0.362 368 HA CYS 51 HA CYS 51 0.123 13.974 -2.931 369 1HB CYS 51 1HB CYS 51 0.561 13.820 -0.048 370 2HB CYS 51 2HB CYS 51 0.703 12.267 -0.807 371 H HIS 52 H HIS 52 -0.365 11.194 -1.417 372 HA HIS 52 HA HIS 52 -2.826 10.560 -2.863 373 1HB HIS 52 1HB HIS 52 -1.021 9.039 -0.967 374 2HB HIS 52 2HB HIS 52 -2.366 8.308 -1.817 375 HD1 HIS 52 HD1 HIS 52 -2.237 8.718 -4.512 376 HD2 HIS 52 HD2 HIS 52 1.335 8.889 -2.405 377 HE1 HIS 52 HE1 HIS 52 -0.392 8.387 -6.221 378 H ASP 53 H ASP 53 -3.496 12.544 -1.055 379 HA ASP 53 HA ASP 53 -4.522 11.264 1.410 380 1HB ASP 53 1HB ASP 53 -5.019 13.602 2.013 381 2HB ASP 53 2HB ASP 53 -3.362 13.453 1.427 382 H ASN 54 H ASN 54 -5.709 10.909 -1.493 383 HA ASN 54 HA ASN 54 -8.373 12.113 -1.235 384 1HB ASN 54 1HB ASN 54 -6.740 10.818 -3.205 385 2HB ASN 54 2HB ASN 54 -8.284 9.978 -3.131 386 1HD2 ASN 54 2HD2 ASN 54 -9.684 10.850 -4.654 387 2HD2 ASN 54 1HD2 ASN 54 -9.825 12.501 -5.020 388 H MET 55 H MET 55 -9.460 11.284 0.563 389 HA MET 55 HA MET 55 -9.332 8.454 1.285 390 1HB MET 55 1HB MET 55 -10.459 11.000 2.275 391 2HB MET 55 2HB MET 55 -11.406 9.572 2.692 392 1HG MET 55 1HG MET 55 -9.881 8.913 4.214 393 2HG MET 55 2HG MET 55 -8.565 9.080 3.051 394 1HE MET 55 1HE MET 55 -6.892 9.929 3.636 395 2HE MET 55 2HE MET 55 -6.523 11.212 4.785 396 3HE MET 55 3HE MET 55 -6.881 11.617 3.108 397 H ASP 56 H ASP 56 -10.502 9.337 -1.423 398 HA ASP 56 HA ASP 56 -13.350 8.688 -1.255 399 1HB ASP 56 1HB ASP 56 -11.960 10.169 -2.930 400 2HB ASP 56 2HB ASP 56 -11.665 8.635 -3.750 401 H LYS 57 H LYS 57 -10.376 6.942 -1.538 402 HA LYS 57 HA LYS 57 -9.950 4.626 -1.733 403 1HB LYS 57 1HB LYS 57 -12.936 4.497 -1.245 404 2HB LYS 57 2HB LYS 57 -11.773 3.209 -0.941 405 1HG LYS 57 1HG LYS 57 -10.747 4.417 0.832 406 2HG LYS 57 2HG LYS 57 -11.541 5.922 0.367 407 1HD LYS 57 1HD LYS 57 -12.931 3.448 1.438 408 2HD LYS 57 2HD LYS 57 -12.648 4.940 2.335 409 1HE LYS 57 1HE LYS 57 -13.882 5.794 -0.030 410 2HE LYS 57 2HE LYS 57 -14.773 4.332 0.440 411 1HZ LYS 57 1HZ LYS 57 -14.160 6.684 2.150 412 2HZ LYS 57 2HZ LYS 57 -14.799 5.225 2.743 413 3HZ LYS 57 3HZ LYS 57 -15.693 6.163 1.644 414 H LYS 58 H LYS 58 -11.407 6.397 -3.991 415 HA LYS 58 HA LYS 58 -11.754 4.072 -5.851 416 1HB LYS 58 1HB LYS 58 -13.432 6.595 -5.649 417 2HB LYS 58 2HB LYS 58 -13.678 5.288 -6.807 418 1HG LYS 58 1HG LYS 58 -13.602 4.651 -3.875 419 2HG LYS 58 2HG LYS 58 -15.071 5.333 -4.571 420 1HD LYS 58 1HD LYS 58 -15.068 3.526 -6.282 421 2HD LYS 58 2HD LYS 58 -13.656 2.818 -5.498 422 1HE LYS 58 1HE LYS 58 -14.892 1.960 -3.774 423 2HE LYS 58 2HE LYS 58 -15.943 3.388 -3.694 424 1HZ LYS 58 1HZ LYS 58 -17.263 2.636 -5.388 425 2HZ LYS 58 2HZ LYS 58 -16.835 1.151 -4.684 426 3HZ LYS 58 3HZ LYS 58 -16.041 1.690 -6.086 427 H ASP 59 H ASP 59 -10.263 7.075 -5.196 428 HA ASP 59 HA ASP 59 -9.989 8.238 -7.777 429 1HB ASP 59 1HB ASP 59 -9.329 9.481 -5.870 430 2HB ASP 59 2HB ASP 59 -8.330 8.165 -5.254 431 H LYS 60 H LYS 60 -9.462 6.800 -9.453 432 HA LYS 60 HA LYS 60 -7.273 4.852 -9.120 433 1HB LYS 60 1HB LYS 60 -9.560 5.337 -10.832 434 2HB LYS 60 2HB LYS 60 -8.121 5.036 -11.807 435 1HG LYS 60 1HG LYS 60 -8.737 3.267 -9.454 436 2HG LYS 60 2HG LYS 60 -9.549 2.998 -10.996 437 1HD LYS 60 1HD LYS 60 -6.562 3.327 -10.924 438 2HD LYS 60 2HD LYS 60 -7.282 1.770 -10.512 439 1HE LYS 60 1HE LYS 60 -8.092 1.419 -12.665 440 2HE LYS 60 2HE LYS 60 -8.191 3.155 -13.019 441 1HZ LYS 60 1HZ LYS 60 -5.894 3.326 -13.238 442 2HZ LYS 60 2HZ LYS 60 -6.243 1.858 -14.019 443 3HZ LYS 60 3HZ LYS 60 -5.601 1.855 -12.446 444 H SER 61 H SER 61 -6.695 7.802 -9.003 445 HA SER 61 HA SER 61 -4.994 8.096 -11.451 446 1HB SER 61 1HB SER 61 -6.783 9.789 -10.012 447 2HB SER 61 2HB SER 61 -5.164 10.455 -9.821 448 HG SER 61 HG SER 61 -6.321 11.140 -11.744 449 H ALA 62 H ALA 62 -3.263 10.053 -10.329 450 HA ALA 62 HA ALA 62 -1.543 8.307 -8.641 451 1HB ALA 62 1HB ALA 62 -1.199 10.099 -10.805 452 2HB ALA 62 2HB ALA 62 0.064 9.234 -9.929 453 3HB ALA 62 3HB ALA 62 -0.414 10.853 -9.418 454 H LYS 63 H LYS 63 -3.953 9.869 -7.602 455 HA LYS 63 HA LYS 63 -2.483 11.390 -5.477 456 1HB LYS 63 1HB LYS 63 -3.850 12.550 -7.518 457 2HB LYS 63 2HB LYS 63 -5.156 12.342 -6.347 458 1HG LYS 63 1HG LYS 63 -4.391 14.079 -5.140 459 2HG LYS 63 2HG LYS 63 -2.813 13.304 -4.983 460 1HD LYS 63 1HD LYS 63 -1.983 14.931 -6.302 461 2HD LYS 63 2HD LYS 63 -2.899 14.220 -7.631 462 1HE LYS 63 1HE LYS 63 -4.904 15.608 -6.637 463 2HE LYS 63 2HE LYS 63 -3.612 16.571 -5.895 464 1HZ LYS 63 1HZ LYS 63 -4.223 16.155 -8.729 465 2HZ LYS 63 2HZ LYS 63 -2.588 16.307 -8.288 466 3HZ LYS 63 3HZ LYS 63 -3.686 17.555 -7.936 467 H GLY 64 H GLY 64 -4.515 8.842 -6.144 468 1HA GLY 64 1HA GLY 64 -6.168 9.228 -3.704 469 2HA GLY 64 2HA GLY 64 -6.473 8.029 -4.952 470 H TYR 65 H TYR 65 -5.711 8.148 -1.868 471 HA TYR 65 HA TYR 65 -3.336 6.683 -1.423 472 1HB TYR 65 1HB TYR 65 -5.440 7.701 0.024 473 2HB TYR 65 2HB TYR 65 -5.712 5.968 0.194 474 HD1 TYR 65 HD1 TYR 65 -2.401 7.605 -0.238 475 HD2 TYR 65 HD2 TYR 65 -5.110 5.701 2.496 476 HE1 TYR 65 HE1 TYR 65 -0.606 7.501 1.466 477 HE2 TYR 65 HE2 TYR 65 -3.312 5.598 4.202 478 HH TYR 65 HH TYR 65 -0.345 7.304 3.849 479 H TYR 66 H TYR 66 -6.639 5.324 -1.520 480 HA TYR 66 HA TYR 66 -6.190 2.625 -1.542 481 1HB TYR 66 1HB TYR 66 -8.246 4.326 -2.083 482 2HB TYR 66 2HB TYR 66 -8.002 3.596 -3.669 483 HD1 TYR 66 HD1 TYR 66 -9.405 3.168 -0.410 484 HD2 TYR 66 HD2 TYR 66 -7.854 1.017 -3.785 485 HE1 TYR 66 HE1 TYR 66 -10.579 1.122 0.353 486 HE2 TYR 66 HE2 TYR 66 -9.026 -1.031 -3.021 487 HH TYR 66 HH TYR 66 -10.096 -1.984 -1.253 488 H HIS 67 H HIS 67 -6.596 4.288 -4.675 489 HA HIS 67 HA HIS 67 -5.741 2.383 -6.428 490 1HB HIS 67 1HB HIS 67 -6.429 4.541 -7.187 491 2HB HIS 67 2HB HIS 67 -5.113 5.337 -6.320 492 HD1 HIS 67 HD1 HIS 67 -5.534 2.735 -9.069 493 HD2 HIS 67 HD2 HIS 67 -2.867 5.714 -7.896 494 HE1 HIS 67 HE1 HIS 67 -3.687 2.758 -10.794 495 H ALA 68 H ALA 68 -3.300 4.839 -5.710 496 HA ALA 68 HA ALA 68 -1.030 3.422 -6.410 497 1HB ALA 68 1HB ALA 68 -1.740 5.643 -4.596 498 2HB ALA 68 2HB ALA 68 -0.503 5.569 -5.849 499 3HB ALA 68 3HB ALA 68 -0.182 4.893 -4.252 500 H MET 69 H MET 69 -2.956 2.966 -3.489 501 HA MET 69 HA MET 69 -0.856 1.385 -2.166 502 1HB MET 69 1HB MET 69 -3.730 2.072 -1.529 503 2HB MET 69 2HB MET 69 -2.653 1.209 -0.434 504 1HG MET 69 1HG MET 69 -1.438 3.637 -1.516 505 2HG MET 69 2HG MET 69 -2.907 3.966 -0.601 506 1HE MET 69 1HE MET 69 0.193 4.954 0.732 507 2HE MET 69 2HE MET 69 0.350 4.008 -0.746 508 3HE MET 69 3HE MET 69 1.150 3.466 0.727 509 H HIS 70 H HIS 70 -3.871 0.729 -3.945 510 HA HIS 70 HA HIS 70 -3.413 -2.180 -3.416 511 1HB HIS 70 1HB HIS 70 -5.890 -0.699 -4.351 512 2HB HIS 70 2HB HIS 70 -5.808 -2.393 -3.862 513 HD1 HIS 70 HD1 HIS 70 -6.031 1.050 -2.511 514 HD2 HIS 70 HD2 HIS 70 -5.310 -2.773 -1.024 515 HE1 HIS 70 HE1 HIS 70 -6.246 1.213 0.006 516 H ASP 71 H ASP 71 -3.167 0.203 -5.859 517 HA ASP 71 HA ASP 71 -3.755 -1.616 -8.101 518 1HB ASP 71 1HB ASP 71 -2.798 1.224 -7.748 519 2HB ASP 71 2HB ASP 71 -2.858 0.471 -9.340 520 H LYS 72 H LYS 72 -2.158 -2.391 -9.578 521 HA LYS 72 HA LYS 72 0.590 -2.573 -8.423 522 1HB LYS 72 1HB LYS 72 -0.740 -4.215 -10.595 523 2HB LYS 72 2HB LYS 72 0.727 -4.624 -9.705 524 1HG LYS 72 1HG LYS 72 -0.665 -5.792 -8.343 525 2HG LYS 72 2HG LYS 72 -1.070 -4.213 -7.667 526 1HD LYS 72 1HD LYS 72 -3.083 -4.087 -8.800 527 2HD LYS 72 2HD LYS 72 -2.517 -5.100 -10.129 528 1HE LYS 72 1HE LYS 72 -2.969 -7.081 -8.994 529 2HE LYS 72 2HE LYS 72 -2.778 -6.328 -7.398 530 1HZ LYS 72 1HZ LYS 72 -4.893 -5.412 -9.237 531 2HZ LYS 72 2HZ LYS 72 -4.817 -5.279 -7.544 532 3HZ LYS 72 3HZ LYS 72 -5.151 -6.780 -8.268 533 H GLY 73 H GLY 73 -0.942 -2.422 -11.649 534 1HA GLY 73 1HA GLY 73 1.446 -1.507 -12.971 535 2HA GLY 73 2HA GLY 73 -0.184 -1.435 -13.645 536 H THR 74 H THR 74 1.564 0.130 -10.942 537 HA THR 74 HA THR 74 0.201 2.694 -11.634 538 HB THR 74 HB THR 74 1.230 3.230 -9.301 539 HG1 THR 74 1HG THR 74 1.585 1.241 -8.135 540 1HG2 THR 74 1HG2 THR 74 -1.122 2.889 -9.457 541 2HG2 THR 74 2HG2 THR 74 -0.573 1.796 -8.185 542 3HG2 THR 74 3HG2 THR 74 -0.922 1.169 -9.797 543 H LYS 75 H LYS 75 1.563 4.681 -11.533 544 HA LYS 75 HA LYS 75 3.724 4.872 -13.208 545 1HB LYS 75 1HB LYS 75 2.411 6.557 -11.605 546 2HB LYS 75 2HB LYS 75 3.839 6.348 -10.599 547 1HG LYS 75 1HG LYS 75 4.383 8.191 -11.970 548 2HG LYS 75 2HG LYS 75 5.185 6.834 -12.755 549 1HD LYS 75 1HD LYS 75 4.108 7.815 -14.569 550 2HD LYS 75 2HD LYS 75 2.900 6.633 -14.060 551 1HE LYS 75 1HE LYS 75 2.277 8.783 -12.459 552 2HE LYS 75 2HE LYS 75 2.778 9.573 -13.967 553 1HZ LYS 75 1HZ LYS 75 0.371 8.745 -13.801 554 2HZ LYS 75 2HZ LYS 75 1.030 7.192 -14.004 555 3HZ LYS 75 3HZ LYS 75 1.243 8.374 -15.207 556 H PHE 76 H PHE 76 3.774 3.761 -9.854 557 HA PHE 76 HA PHE 76 6.564 2.750 -10.264 558 1HB PHE 76 1HB PHE 76 5.505 4.229 -7.837 559 2HB PHE 76 2HB PHE 76 7.143 3.625 -8.053 560 HD1 PHE 76 HD1 PHE 76 8.576 4.596 -9.909 561 HD2 PHE 76 HD2 PHE 76 4.781 6.267 -8.787 562 HE1 PHE 76 HE1 PHE 76 9.145 6.697 -11.100 563 HE2 PHE 76 HE2 PHE 76 5.352 8.364 -9.973 564 HZ PHE 76 HZ PHE 76 7.525 8.573 -11.128 565 H LYS 77 H LYS 77 7.098 1.195 -8.297 566 HA LYS 77 HA LYS 77 4.982 -0.772 -8.166 567 1HB LYS 77 1HB LYS 77 6.536 -1.873 -6.585 568 2HB LYS 77 2HB LYS 77 7.345 -1.377 -8.067 569 1HG LYS 77 1HG LYS 77 8.090 0.709 -6.883 570 2HG LYS 77 2HG LYS 77 7.408 0.050 -5.395 571 1HD LYS 77 1HD LYS 77 9.845 -0.423 -5.587 572 2HD LYS 77 2HD LYS 77 8.884 -1.900 -5.551 573 1HE LYS 77 1HE LYS 77 9.480 -0.698 -8.230 574 2HE LYS 77 2HE LYS 77 10.771 -1.586 -7.398 575 1HZ LYS 77 1HZ LYS 77 9.724 -3.509 -7.714 576 2HZ LYS 77 2HZ LYS 77 8.674 -2.699 -8.776 577 3HZ LYS 77 3HZ LYS 77 8.250 -2.894 -7.142 578 H SER 78 H SER 78 3.230 -0.403 -7.050 579 HA SER 78 HA SER 78 3.016 1.511 -4.874 580 1HB SER 78 1HB SER 78 0.702 -0.071 -5.054 581 2HB SER 78 2HB SER 78 0.987 1.475 -5.846 582 HG SER 78 HG SER 78 1.528 -1.127 -6.829 583 H CYS 79 H CYS 79 1.551 0.630 -2.934 584 HA CYS 79 HA CYS 79 3.179 -1.037 -1.291 585 1HB CYS 79 1HB CYS 79 0.269 -0.198 -1.191 586 2HB CYS 79 2HB CYS 79 1.107 -0.966 0.155 587 H VAL 80 H VAL 80 -0.152 -1.801 -2.335 588 HA VAL 80 HA VAL 80 0.147 -4.641 -1.924 589 HB VAL 80 HB VAL 80 -1.791 -2.848 -3.394 590 1HG1 VAL 80 1HG1 VAL 80 -3.053 -5.304 -2.999 591 2HG1 VAL 80 2HG1 VAL 80 -1.455 -5.738 -3.606 592 3HG1 VAL 80 3HG1 VAL 80 -2.491 -4.662 -4.542 593 1HG2 VAL 80 1HG2 VAL 80 -1.436 -3.426 -0.703 594 2HG2 VAL 80 2HG2 VAL 80 -2.720 -4.538 -1.176 595 3HG2 VAL 80 3HG2 VAL 80 -2.921 -2.803 -1.421 596 H GLY 81 H GLY 81 0.714 -2.493 -4.659 597 1HA GLY 81 1HA GLY 81 0.828 -4.531 -6.695 598 2HA GLY 81 2HA GLY 81 1.534 -2.919 -6.822 599 H CYS 82 H CYS 82 3.291 -2.998 -4.627 600 HA CYS 82 HA CYS 82 5.498 -4.560 -5.736 601 1HB CYS 82 1HB CYS 82 5.430 -2.265 -4.453 602 2HB CYS 82 2HB CYS 82 5.417 -3.271 -3.007 603 H HIS 83 H HIS 83 3.014 -4.974 -3.398 604 HA HIS 83 HA HIS 83 4.288 -7.064 -1.825 605 1HB HIS 83 1HB HIS 83 1.649 -5.691 -2.106 606 2HB HIS 83 2HB HIS 83 1.671 -7.230 -1.268 607 HD1 HIS 83 HD1 HIS 83 1.209 -5.981 1.019 608 HD2 HIS 83 HD2 HIS 83 4.794 -4.935 -0.835 609 HE1 HIS 83 HE1 HIS 83 2.585 -4.766 2.760 610 H LEU 84 H LEU 84 1.462 -7.135 -4.066 611 HA LEU 84 HA LEU 84 1.206 -9.906 -4.345 612 1HB LEU 84 1HB LEU 84 0.236 -7.524 -5.461 613 2HB LEU 84 2HB LEU 84 0.872 -8.429 -6.830 614 HG LEU 84 HG LEU 84 -0.834 -9.812 -4.788 615 1HD1 LEU 84 1HD1 LEU 84 -1.910 -7.633 -5.707 616 2HD1 LEU 84 2HD1 LEU 84 -2.844 -9.127 -5.812 617 3HD1 LEU 84 3HD1 LEU 84 -2.010 -8.505 -7.236 618 1HD2 LEU 84 1HD2 LEU 84 0.261 -10.318 -7.470 619 2HD2 LEU 84 2HD2 LEU 84 -1.450 -10.721 -7.323 620 3HD2 LEU 84 3HD2 LEU 84 -0.272 -11.465 -6.241 621 H GLU 85 H GLU 85 3.704 -7.791 -5.529 622 HA GLU 85 HA GLU 85 4.736 -9.854 -7.413 623 1HB GLU 85 1HB GLU 85 5.098 -6.922 -6.908 624 2HB GLU 85 2HB GLU 85 6.401 -7.797 -7.713 625 1HG GLU 85 1HG GLU 85 4.135 -8.722 -9.012 626 2HG GLU 85 2HG GLU 85 3.772 -7.016 -8.743 627 H THR 86 H THR 86 5.768 -7.935 -4.573 628 HA THR 86 HA THR 86 8.375 -9.034 -4.278 629 HB THR 86 HB THR 86 6.309 -7.811 -2.452 630 HG1 THR 86 1HG THR 86 7.460 -6.460 -3.831 631 1HG2 THR 86 1HG2 THR 86 7.923 -7.827 -0.621 632 2HG2 THR 86 2HG2 THR 86 9.088 -8.691 -1.624 633 3HG2 THR 86 3HG2 THR 86 7.594 -9.484 -1.126 634 H ALA 87 H ALA 87 5.300 -10.501 -3.879 635 HA ALA 87 HA ALA 87 6.123 -12.493 -1.892 636 1HB ALA 87 1HB ALA 87 3.782 -11.468 -2.452 637 2HB ALA 87 2HB ALA 87 3.874 -13.188 -2.071 638 3HB ALA 87 3HB ALA 87 3.754 -12.662 -3.750 639 H GLY 88 H GLY 88 5.920 -12.257 -5.402 640 1HA GLY 88 1HA GLY 88 6.615 -13.731 -7.091 641 2HA GLY 88 2HA GLY 88 7.787 -14.315 -5.911 642 H ALA 89 H ALA 89 4.328 -14.634 -6.759 643 HA ALA 89 HA ALA 89 2.862 -16.472 -6.391 644 1HB ALA 89 1HB ALA 89 3.530 -17.977 -7.946 645 2HB ALA 89 2HB ALA 89 4.998 -18.363 -7.049 646 3HB ALA 89 3HB ALA 89 4.962 -16.964 -8.121 647 H ASP 90 H ASP 90 3.586 -15.815 -3.931 648 HA ASP 90 HA ASP 90 4.397 -18.377 -2.630 649 1HB ASP 90 1HB ASP 90 6.186 -16.711 -2.586 650 2HB ASP 90 2HB ASP 90 5.085 -15.512 -1.919 651 H ALA 91 H ALA 91 2.115 -18.796 -2.424 652 HA ALA 91 HA ALA 91 0.002 -17.324 -1.520 653 1HB ALA 91 1HB ALA 91 0.980 -20.069 -0.714 654 2HB ALA 91 2HB ALA 91 -0.249 -19.660 -1.911 655 3HB ALA 91 3HB ALA 91 -0.588 -19.457 -0.192 656 H ALA 92 H ALA 92 2.831 -18.182 0.387 657 HA ALA 92 HA ALA 92 1.705 -17.360 2.951 658 1HB ALA 92 1HB ALA 92 4.355 -18.152 1.796 659 2HB ALA 92 2HB ALA 92 3.490 -18.840 3.172 660 3HB ALA 92 3HB ALA 92 4.351 -17.310 3.346 661 H LYS 93 H LYS 93 3.925 -15.945 0.570 662 HA LYS 93 HA LYS 93 4.107 -13.373 1.929 663 1HB LYS 93 1HB LYS 93 5.093 -14.758 -0.498 664 2HB LYS 93 2HB LYS 93 5.015 -13.002 -0.610 665 1HG LYS 93 1HG LYS 93 6.401 -14.582 1.574 666 2HG LYS 93 2HG LYS 93 7.209 -13.739 0.251 667 1HD LYS 93 1HD LYS 93 7.271 -11.928 1.598 668 2HD LYS 93 2HD LYS 93 5.529 -11.805 1.355 669 1HE LYS 93 1HE LYS 93 5.637 -11.920 3.690 670 2HE LYS 93 2HE LYS 93 5.481 -13.643 3.290 671 1HZ LYS 93 1HZ LYS 93 8.063 -13.413 2.998 672 2HZ LYS 93 2HZ LYS 93 7.383 -13.701 4.529 673 3HZ LYS 93 3HZ LYS 93 7.863 -12.131 4.090 674 H LYS 94 H LYS 94 2.072 -14.839 -0.524 675 HA LYS 94 HA LYS 94 0.993 -12.327 -1.555 676 1HB LYS 94 1HB LYS 94 0.811 -15.200 -2.002 677 2HB LYS 94 2HB LYS 94 -0.780 -14.440 -2.083 678 1HG LYS 94 1HG LYS 94 0.630 -12.635 -3.506 679 2HG LYS 94 2HG LYS 94 1.583 -14.078 -3.854 680 1HD LYS 94 1HD LYS 94 -1.026 -14.978 -4.109 681 2HD LYS 94 2HD LYS 94 -1.096 -13.352 -4.788 682 1HE LYS 94 1HE LYS 94 1.017 -13.990 -6.121 683 2HE LYS 94 2HE LYS 94 0.646 -15.665 -5.666 684 1HZ LYS 94 1HZ LYS 94 -0.509 -15.248 -7.676 685 2HZ LYS 94 2HZ LYS 94 -1.097 -13.754 -7.121 686 3HZ LYS 94 3HZ LYS 94 -1.675 -15.202 -6.446 687 H LYS 95 H LYS 95 0.724 -13.684 1.429 688 HA LYS 95 HA LYS 95 -2.138 -12.829 1.768 689 1HB LYS 95 1HB LYS 95 -2.289 -14.874 2.762 690 2HB LYS 95 2HB LYS 95 -0.549 -15.119 2.615 691 1HG LYS 95 1HG LYS 95 -0.146 -13.903 4.676 692 2HG LYS 95 2HG LYS 95 -1.850 -13.460 4.795 693 1HD LYS 95 1HD LYS 95 -0.776 -16.296 4.860 694 2HD LYS 95 2HD LYS 95 -1.306 -15.376 6.270 695 1HE LYS 95 1HE LYS 95 -3.509 -15.085 4.744 696 2HE LYS 95 2HE LYS 95 -2.938 -16.648 4.124 697 1HZ LYS 95 1HZ LYS 95 -2.691 -17.409 6.419 698 2HZ LYS 95 2HZ LYS 95 -4.301 -16.981 6.086 699 3HZ LYS 95 3HZ LYS 95 -3.310 -15.935 6.987 700 H GLU 96 H GLU 96 1.136 -12.776 2.956 701 HA GLU 96 HA GLU 96 0.770 -10.927 5.131 702 1HB GLU 96 1HB GLU 96 2.797 -12.453 3.668 703 2HB GLU 96 2HB GLU 96 3.401 -10.928 4.282 704 1HG GLU 96 1HG GLU 96 2.242 -11.616 6.504 705 2HG GLU 96 2HG GLU 96 2.213 -13.232 5.794 706 H LEU 97 H LEU 97 1.832 -10.655 1.751 707 HA LEU 97 HA LEU 97 2.296 -7.758 1.956 708 1HB LEU 97 1HB LEU 97 2.331 -9.642 -0.403 709 2HB LEU 97 2HB LEU 97 3.110 -8.062 -0.297 710 HG LEU 97 HG LEU 97 3.809 -10.580 1.217 711 1HD1 LEU 97 1HD1 LEU 97 6.079 -9.954 0.311 712 2HD1 LEU 97 2HD1 LEU 97 5.284 -8.679 -0.612 713 3HD1 LEU 97 3HD1 LEU 97 4.888 -10.370 -0.921 714 1HD2 LEU 97 1HD2 LEU 97 4.539 -7.697 1.789 715 2HD2 LEU 97 2HD2 LEU 97 5.521 -9.048 2.355 716 3HD2 LEU 97 3HD2 LEU 97 3.853 -8.880 2.903 717 H THR 98 H THR 98 0.211 -9.796 -0.127 718 HA THR 98 HA THR 98 -1.430 -7.419 -0.762 719 HB THR 98 HB THR 98 -2.379 -8.891 -2.441 720 HG1 THR 98 1HG THR 98 -0.799 -11.026 -1.630 721 1HG2 THR 98 1HG2 THR 98 0.429 -8.392 -2.115 722 2HG2 THR 98 2HG2 THR 98 -0.498 -8.501 -3.612 723 3HG2 THR 98 3HG2 THR 98 0.216 -9.953 -2.906 724 H GLY 99 H GLY 99 -1.526 -10.030 1.473 725 1HA GLY 99 1HA GLY 99 -4.274 -10.603 1.644 726 2HA GLY 99 2HA GLY 99 -3.189 -10.621 3.032 727 H CYS 100 H CYS 100 -5.927 -9.211 1.884 728 HA CYS 100 HA CYS 100 -5.525 -6.484 2.843 729 1HB CYS 100 1HB CYS 100 -8.248 -7.565 2.601 730 2HB CYS 100 2HB CYS 100 -7.566 -6.124 1.902 731 H LYS 101 H LYS 101 -7.780 -9.031 3.927 732 HA LYS 101 HA LYS 101 -7.874 -7.705 6.574 733 1HB LYS 101 1HB LYS 101 -9.529 -9.530 4.932 734 2HB LYS 101 2HB LYS 101 -9.636 -9.773 6.675 735 1HG LYS 101 1HG LYS 101 -9.770 -6.970 5.643 736 2HG LYS 101 2HG LYS 101 -11.190 -7.997 5.437 737 1HD LYS 101 1HD LYS 101 -10.604 -8.559 8.015 738 2HD LYS 101 2HD LYS 101 -9.987 -6.908 7.927 739 1HE LYS 101 1HE LYS 101 -12.214 -6.228 6.911 740 2HE LYS 101 2HE LYS 101 -12.808 -7.849 7.322 741 1HZ LYS 101 1HZ LYS 101 -11.387 -6.223 9.330 742 2HZ LYS 101 2HZ LYS 101 -12.480 -7.501 9.572 743 3HZ LYS 101 3HZ LYS 101 -13.044 -5.981 9.063 744 H GLY 102 H GLY 102 -5.625 -9.643 5.506 745 1HA GLY 102 1HA GLY 102 -5.237 -10.955 8.088 746 2HA GLY 102 2HA GLY 102 -5.574 -12.090 6.782 747 H SER 103 H SER 103 -3.640 -9.077 6.796 748 HA SER 103 HA SER 103 -1.290 -10.721 5.955 749 1HB SER 103 1HB SER 103 -0.914 -9.124 4.256 750 2HB SER 103 2HB SER 103 -2.640 -9.403 4.225 751 HG SER 103 HG SER 103 -2.982 -7.465 5.077 752 H LYS 104 H LYS 104 0.240 -8.240 5.668 753 HA LYS 104 HA LYS 104 0.886 -7.747 8.540 754 1HB LYS 104 1HB LYS 104 2.326 -7.182 5.927 755 2HB LYS 104 2HB LYS 104 3.021 -7.011 7.538 756 1HG LYS 104 1HG LYS 104 1.878 -9.631 6.560 757 2HG LYS 104 2HG LYS 104 3.566 -9.190 6.297 758 1HD LYS 104 1HD LYS 104 2.413 -8.972 9.059 759 2HD LYS 104 2HD LYS 104 2.887 -10.557 8.448 760 1HE LYS 104 1HE LYS 104 5.016 -8.843 7.758 761 2HE LYS 104 2HE LYS 104 4.586 -8.422 9.427 762 1HZ LYS 104 1HZ LYS 104 5.788 -10.263 9.891 763 2HZ LYS 104 2HZ LYS 104 5.568 -10.941 8.349 764 3HZ LYS 104 3HZ LYS 104 4.340 -11.061 9.516 765 H CYS 105 H CYS 105 -0.209 -6.333 5.586 766 HA CYS 105 HA CYS 105 0.215 -3.553 6.323 767 1HB CYS 105 1HB CYS 105 -0.217 -5.082 4.056 768 2HB CYS 105 2HB CYS 105 -1.741 -4.255 4.257 769 H HIS 106 H HIS 106 -2.447 -5.877 6.544 770 HA HIS 106 HA HIS 106 -4.137 -3.733 7.797 771 1HB HIS 106 1HB HIS 106 -4.646 -6.023 5.941 772 2HB HIS 106 2HB HIS 106 -5.935 -5.560 7.054 773 HD1 HIS 106 HD1 HIS 106 -5.189 -2.462 7.011 774 HD2 HIS 106 HD2 HIS 106 -5.895 -4.850 3.647 775 HE1 HIS 106 HE1 HIS 106 -5.753 -0.880 5.123 776 H SER 107 H SER 107 -2.958 -4.364 9.850 777 HA SER 107 HA SER 107 -3.345 -7.046 10.937 778 1HB SER 107 1HB SER 107 -2.717 -4.684 12.646 779 2HB SER 107 2HB SER 107 -1.935 -6.261 12.587 780 HG SER 107 HG SER 107 -0.593 -4.685 11.679 781 HHA HEC 201 HHA HEC 201 6.046 8.705 5.613 782 HHB HEC 201 HHB HEC 201 12.093 9.774 4.704 783 HHC HEC 201 HHC HEC 201 12.525 4.620 1.042 784 HHD HEC 201 HHD HEC 201 6.409 3.595 1.782 785 1HMA HEC 201 1HMA HEC 201 9.858 10.823 7.782 786 2HMA HEC 201 2HMA HEC 201 10.179 11.938 6.451 787 3HMA HEC 201 3HMA HEC 201 11.343 10.671 6.839 788 1HAA HEC 201 1HAA HEC 201 6.704 9.623 7.407 789 2HAA HEC 201 2HAA HEC 201 7.907 10.859 7.757 790 1HBA HEC 201 1HBA HEC 201 6.689 11.427 5.220 791 2HBA HEC 201 2HBA HEC 201 5.427 11.186 6.426 792 1HMB HEC 201 1HMB HEC 201 14.832 9.247 2.715 793 2HMB HEC 201 2HMB HEC 201 14.035 9.588 4.252 794 3HMB HEC 201 3HMB HEC 201 15.184 8.255 4.129 795 HAB HEC 201 HAB HEC 201 14.363 5.411 1.128 796 1HBB HEC 201 1HBB HEC 201 16.676 5.908 2.379 797 2HBB HEC 201 2HBB HEC 201 15.559 4.673 2.960 798 3HBB HEC 201 3HBB HEC 201 15.583 6.266 3.716 799 1HMC HEC 201 1HMC HEC 201 11.768 3.147 -0.620 800 2HMC HEC 201 2HMC HEC 201 10.615 1.812 -0.606 801 3HMC HEC 201 3HMC HEC 201 11.822 1.949 0.673 802 HAC HEC 201 HAC HEC 201 7.008 2.239 0.627 803 1HBC HEC 201 1HBC HEC 201 8.081 0.320 1.395 804 2HBC HEC 201 2HBC HEC 201 9.578 0.693 0.542 805 3HBC HEC 201 3HBC HEC 201 8.180 0.093 -0.350 806 1HMD HEC 201 1HMD HEC 201 4.593 3.302 3.732 807 2HMD HEC 201 2HMD HEC 201 3.398 4.479 4.272 808 3HMD HEC 201 3HMD HEC 201 3.716 4.276 2.550 809 1HAD HEC 201 1HAD HEC 201 4.257 8.151 5.274 810 2HAD HEC 201 2HAD HEC 201 3.176 7.275 4.197 811 1HBD HEC 201 1HBD HEC 201 2.995 5.446 5.756 812 2HBD HEC 201 2HBD HEC 201 4.260 6.127 6.778 813 HHA HEC 202 HHA HEC 202 1.592 7.717 -9.488 814 HHB HEC 202 HHB HEC 202 2.795 4.124 -4.829 815 HHC HEC 202 HHC HEC 202 4.554 8.950 -1.229 816 HHD HEC 202 HHD HEC 202 2.612 12.932 -5.820 817 1HMA HEC 202 1HMA HEC 202 0.911 3.272 -5.877 818 2HMA HEC 202 2HMA HEC 202 2.067 2.850 -7.141 819 3HMA HEC 202 3HMA HEC 202 0.411 3.278 -7.567 820 1HAA HEC 202 1HAA HEC 202 1.093 5.296 -10.013 821 2HAA HEC 202 2HAA HEC 202 -0.026 4.466 -8.974 822 1HBA HEC 202 1HBA HEC 202 -1.356 6.453 -8.697 823 2HBA HEC 202 2HBA HEC 202 -0.173 7.421 -9.569 824 1HMB HEC 202 1HMB HEC 202 4.191 3.320 -3.196 825 2HMB HEC 202 2HMB HEC 202 4.509 3.742 -1.513 826 3HMB HEC 202 3HMB HEC 202 2.847 3.587 -2.084 827 HAB HEC 202 HAB HEC 202 4.250 7.041 0.088 828 1HBB HEC 202 1HBB HEC 202 6.595 6.212 -1.346 829 2HBB HEC 202 2HBB HEC 202 6.401 5.173 0.064 830 3HBB HEC 202 3HBB HEC 202 6.497 6.922 0.267 831 1HMC HEC 202 1HMC HEC 202 4.064 12.249 -0.539 832 2HMC HEC 202 2HMC HEC 202 5.162 10.874 -0.665 833 3HMC HEC 202 3HMC HEC 202 5.611 12.429 -1.367 834 HAC HEC 202 HAC HEC 202 2.713 14.018 -4.010 835 1HBC HEC 202 1HBC HEC 202 5.166 14.428 -3.764 836 2HBC HEC 202 2HBC HEC 202 5.033 14.091 -2.037 837 3HBC HEC 202 3HBC HEC 202 4.225 15.500 -2.725 838 1HMD HEC 202 1HMD HEC 202 2.842 13.560 -8.332 839 2HMD HEC 202 2HMD HEC 202 1.091 13.437 -8.172 840 3HMD HEC 202 3HMD HEC 202 1.869 13.013 -9.698 841 1HAD HEC 202 1HAD HEC 202 1.958 9.313 -10.729 842 2HAD HEC 202 2HAD HEC 202 1.229 10.908 -10.876 843 1HBD HEC 202 1HBD HEC 202 3.666 11.759 -10.405 844 2HBD HEC 202 2HBD HEC 202 4.126 10.136 -10.921 845 HHA HEC 203 HHA HEC 203 6.987 -6.938 4.665 846 HHB HEC 203 HHB HEC 203 2.675 -2.127 5.017 847 HHC HEC 203 HHC HEC 203 4.650 0.061 -0.329 848 HHD HEC 203 HHD HEC 203 8.931 -4.506 -0.835 849 1HMA HEC 203 1HMA HEC 203 3.485 -3.441 7.712 850 2HMA HEC 203 2HMA HEC 203 2.998 -5.132 7.596 851 3HMA HEC 203 3HMA HEC 203 2.161 -3.905 6.645 852 1HAA HEC 203 1HAA HEC 203 4.845 -6.141 7.810 853 2HAA HEC 203 2HAA HEC 203 4.613 -7.366 6.569 854 1HBA HEC 203 1HBA HEC 203 6.849 -7.781 6.377 855 2HBA HEC 203 2HBA HEC 203 7.286 -6.089 6.611 856 1HMB HEC 203 1HMB HEC 203 1.868 -0.434 5.014 857 2HMB HEC 203 2HMB HEC 203 2.308 1.176 4.444 858 3HMB HEC 203 3HMB HEC 203 1.040 0.266 3.623 859 HAB HEC 203 HAB HEC 203 2.692 0.901 0.273 860 1HBB HEC 203 1HBB HEC 203 4.478 2.488 2.096 861 2HBB HEC 203 2HBB HEC 203 3.364 3.337 1.021 862 3HBB HEC 203 3HBB HEC 203 4.593 2.263 0.351 863 1HMC HEC 203 1HMC HEC 203 5.874 -0.785 -3.394 864 2HMC HEC 203 2HMC HEC 203 5.527 0.334 -2.076 865 3HMC HEC 203 3HMC HEC 203 7.170 0.190 -2.701 866 HAC HEC 203 HAC HEC 203 9.182 -3.292 -2.475 867 1HBC HEC 203 1HBC HEC 203 8.918 -0.647 -2.560 868 2HBC HEC 203 2HBC HEC 203 8.097 -1.004 -4.077 869 3HBC HEC 203 3HBC HEC 203 9.771 -1.506 -3.842 870 1HMD HEC 203 1HMD HEC 203 10.957 -6.367 1.006 871 2HMD HEC 203 2HMD HEC 203 10.021 -6.340 -0.489 872 3HMD HEC 203 3HMD HEC 203 10.070 -7.804 0.494 873 1HAD HEC 203 1HAD HEC 203 10.001 -7.843 3.355 874 2HAD HEC 203 2HAD HEC 203 8.424 -8.143 4.075 875 1HBD HEC 203 1HBD HEC 203 7.914 -9.794 2.593 876 2HBD HEC 203 2HBD HEC 203 8.679 -8.954 1.243 877 HHA HEC 204 HHA HEC 204 -6.869 2.203 3.855 878 HHB HEC 204 HHB HEC 204 -10.174 -2.332 1.008 879 HHC HEC 204 HHC HEC 204 -4.851 -5.886 0.917 880 HHD HEC 204 HHD HEC 204 -1.536 -0.990 2.629 881 1HMA HEC 204 1HMA HEC 204 -11.506 -0.836 1.518 882 2HMA HEC 204 2HMA HEC 204 -11.552 0.901 1.815 883 3HMA HEC 204 3HMA HEC 204 -11.734 -0.228 3.157 884 1HAA HEC 204 1HAA HEC 204 -10.059 2.028 4.511 885 2HAA HEC 204 2HAA HEC 204 -8.598 2.814 3.924 886 1HBA HEC 204 1HBA HEC 204 -9.766 3.111 1.699 887 2HBA HEC 204 2HBA HEC 204 -11.236 2.541 2.482 888 1HMB HEC 204 1HMB HEC 204 -10.625 -3.870 -0.302 889 2HMB HEC 204 2HMB HEC 204 -10.283 -5.592 -0.144 890 3HMB HEC 204 3HMB HEC 204 -9.811 -4.730 -1.609 891 HAB HEC 204 HAB HEC 204 -6.512 -6.954 0.189 892 1HBB HEC 204 1HBB HEC 204 -5.704 -6.288 -1.918 893 2HBB HEC 204 2HBB HEC 204 -7.299 -5.776 -2.471 894 3HBB HEC 204 3HBB HEC 204 -6.933 -7.494 -2.303 895 1HMC HEC 204 1HMC HEC 204 -3.026 -6.494 0.703 896 2HMC HEC 204 2HMC HEC 204 -1.472 -5.792 0.252 897 3HMC HEC 204 3HMC HEC 204 -1.761 -6.298 1.917 898 HAC HEC 204 HAC HEC 204 -0.506 -2.509 2.947 899 1HBC HEC 204 1HBC HEC 204 0.181 -2.538 0.500 900 2HBC HEC 204 2HBC HEC 204 0.414 -4.277 0.659 901 3HBC HEC 204 3HBC HEC 204 1.396 -3.165 1.613 902 1HMD HEC 204 1HMD HEC 204 -1.056 1.421 2.726 903 2HMD HEC 204 2HMD HEC 204 -1.270 1.127 4.451 904 3HMD HEC 204 3HMD HEC 204 -1.690 2.696 3.766 905 1HAD HEC 204 1HAD HEC 204 -3.789 3.877 3.580 906 2HAD HEC 204 2HAD HEC 204 -5.422 3.483 4.101 907 1HBD HEC 204 1HBD HEC 204 -4.162 2.290 6.091 908 2HBD HEC 204 2HBD HEC 204 -2.871 3.408 5.657 Start of MODEL 9 1 1H ALA 1 1H ALA 1 19.677 15.998 2.279 2 2H ALA 1 2H ALA 1 18.377 15.486 1.311 3 3H ALA 1 3H ALA 1 19.971 15.360 0.735 4 HA ALA 1 HA ALA 1 19.473 13.184 1.381 5 1HB ALA 1 1HB ALA 1 20.628 14.040 3.964 6 2HB ALA 1 2HB ALA 1 21.424 14.721 2.545 7 3HB ALA 1 3HB ALA 1 21.302 12.972 2.733 8 HA PRO 2 HA PRO 2 15.742 13.484 3.929 9 1HB PRO 2 1HB PRO 2 14.655 11.151 3.001 10 2HB PRO 2 2HB PRO 2 14.519 12.690 2.135 11 1HG PRO 2 1HG PRO 2 16.339 10.395 1.638 12 2HG PRO 2 2HG PRO 2 15.528 11.462 0.483 13 1HD PRO 2 1HD PRO 2 18.168 11.683 1.169 14 2HD PRO 2 2HD PRO 2 17.178 13.040 0.587 15 H LYS 3 H LYS 3 15.632 12.674 6.002 16 HA LYS 3 HA LYS 3 17.327 10.318 6.670 17 1HB LYS 3 1HB LYS 3 15.836 12.196 8.501 18 2HB LYS 3 2HB LYS 3 17.196 11.152 8.902 19 1HG LYS 3 1HG LYS 3 18.740 12.503 7.757 20 2HG LYS 3 2HG LYS 3 17.486 13.273 6.785 21 1HD LYS 3 1HD LYS 3 17.216 14.900 8.316 22 2HD LYS 3 2HD LYS 3 16.983 13.713 9.600 23 1HE LYS 3 1HE LYS 3 19.323 13.581 10.051 24 2HE LYS 3 2HE LYS 3 19.733 14.421 8.542 25 1HZ LYS 3 1HZ LYS 3 18.338 16.307 9.411 26 2HZ LYS 3 2HZ LYS 3 19.807 16.054 10.225 27 3HZ LYS 3 3HZ LYS 3 18.347 15.528 10.917 28 H ALA 4 H ALA 4 15.850 8.743 5.826 29 HA ALA 4 HA ALA 4 13.152 8.356 6.148 30 1HB ALA 4 1HB ALA 4 15.369 6.819 5.525 31 2HB ALA 4 2HB ALA 4 13.703 6.240 5.516 32 3HB ALA 4 3HB ALA 4 14.715 5.996 6.940 33 HA PRO 5 HA PRO 5 12.571 8.454 10.516 34 1HB PRO 5 1HB PRO 5 9.935 7.705 10.526 35 2HB PRO 5 2HB PRO 5 10.491 9.332 10.101 36 1HG PRO 5 1HG PRO 5 9.530 7.153 8.350 37 2HG PRO 5 2HG PRO 5 9.455 8.904 8.131 38 1HD PRO 5 1HD PRO 5 11.269 7.180 6.890 39 2HD PRO 5 2HD PRO 5 11.404 8.946 6.984 40 H ALA 6 H ALA 6 11.989 6.932 12.267 41 HA ALA 6 HA ALA 6 13.132 4.368 11.984 42 1HB ALA 6 1HB ALA 6 12.866 4.514 14.222 43 2HB ALA 6 2HB ALA 6 11.111 4.480 14.053 44 3HB ALA 6 3HB ALA 6 11.976 6.015 13.967 45 H ASP 7 H ASP 7 11.750 2.340 12.615 46 HA ASP 7 HA ASP 7 9.746 1.953 10.506 47 1HB ASP 7 1HB ASP 7 10.621 0.046 12.683 48 2HB ASP 7 2HB ASP 7 10.041 -0.343 11.067 49 H GLY 8 H GLY 8 7.623 1.012 11.075 50 1HA GLY 8 1HA GLY 8 5.840 0.579 12.652 51 2HA GLY 8 2HA GLY 8 6.684 1.580 13.831 52 H LEU 9 H LEU 9 6.569 2.914 10.670 53 HA LEU 9 HA LEU 9 5.116 5.232 11.495 54 1HB LEU 9 1HB LEU 9 6.515 4.288 9.234 55 2HB LEU 9 2HB LEU 9 4.888 4.662 8.659 56 HG LEU 9 HG LEU 9 6.134 6.635 10.500 57 1HD1 LEU 9 1HD1 LEU 9 7.202 7.653 8.341 58 2HD1 LEU 9 2HD1 LEU 9 7.127 6.000 7.726 59 3HD1 LEU 9 3HD1 LEU 9 8.063 6.361 9.179 60 1HD2 LEU 9 1HD2 LEU 9 4.779 8.146 9.360 61 2HD2 LEU 9 2HD2 LEU 9 3.829 6.668 9.187 62 3HD2 LEU 9 3HD2 LEU 9 4.845 7.230 7.856 63 H LYS 10 H LYS 10 2.944 5.497 11.719 64 HA LYS 10 HA LYS 10 1.192 3.260 10.804 65 1HB LYS 10 1HB LYS 10 1.325 5.107 13.075 66 2HB LYS 10 2HB LYS 10 -0.300 4.929 12.409 67 1HG LYS 10 1HG LYS 10 0.162 2.390 12.444 68 2HG LYS 10 2HG LYS 10 1.509 2.783 13.513 69 1HD LYS 10 1HD LYS 10 -0.173 4.073 14.938 70 2HD LYS 10 2HD LYS 10 -1.433 3.300 13.977 71 1HE LYS 10 1HE LYS 10 -0.253 1.067 14.572 72 2HE LYS 10 2HE LYS 10 0.554 2.004 15.846 73 1HZ LYS 10 1HZ LYS 10 -2.361 1.661 15.414 74 2HZ LYS 10 2HZ LYS 10 -1.717 2.865 16.428 75 3HZ LYS 10 3HZ LYS 10 -1.456 1.223 16.781 76 H MET 11 H MET 11 0.261 3.635 8.867 77 HA MET 11 HA MET 11 -0.286 6.362 7.900 78 1HB MET 11 1HB MET 11 -0.067 3.624 6.886 79 2HB MET 11 2HB MET 11 -1.467 4.456 6.214 80 1HG MET 11 1HG MET 11 1.431 5.289 6.069 81 2HG MET 11 2HG MET 11 0.340 4.939 4.735 82 1HE MET 11 1HE MET 11 0.011 7.649 3.336 83 2HE MET 11 2HE MET 11 1.430 6.737 3.844 84 3HE MET 11 3HE MET 11 1.302 8.448 4.242 85 H ASP 12 H ASP 12 -2.030 7.271 9.011 86 HA ASP 12 HA ASP 12 -4.461 5.540 9.342 87 1HB ASP 12 1HB ASP 12 -4.942 7.425 11.079 88 2HB ASP 12 2HB ASP 12 -3.713 6.224 11.451 89 H LYS 13 H LYS 13 -3.515 7.405 7.045 90 HA LYS 13 HA LYS 13 -5.147 9.691 6.832 91 1HB LYS 13 1HB LYS 13 -3.997 7.657 4.942 92 2HB LYS 13 2HB LYS 13 -5.008 8.956 4.317 93 1HG LYS 13 1HG LYS 13 -2.502 9.293 5.994 94 2HG LYS 13 2HG LYS 13 -2.648 9.637 4.268 95 1HD LYS 13 1HD LYS 13 -4.516 11.267 4.892 96 2HD LYS 13 2HD LYS 13 -3.991 11.074 6.565 97 1HE LYS 13 1HE LYS 13 -1.618 11.530 5.133 98 2HE LYS 13 2HE LYS 13 -2.791 12.682 4.465 99 1HZ LYS 13 1HZ LYS 13 -3.424 13.277 6.735 100 2HZ LYS 13 2HZ LYS 13 -1.777 13.590 6.455 101 3HZ LYS 13 3HZ LYS 13 -2.245 12.224 7.351 102 H THR 14 H THR 14 -5.970 6.299 6.556 103 HA THR 14 HA THR 14 -8.797 7.049 5.855 104 HB THR 14 HB THR 14 -8.825 4.633 5.015 105 HG1 THR 14 1HG THR 14 -7.136 3.561 5.613 106 1HG2 THR 14 1HG2 THR 14 -7.675 5.204 2.934 107 2HG2 THR 14 2HG2 THR 14 -6.819 6.516 3.745 108 3HG2 THR 14 3HG2 THR 14 -8.567 6.605 3.527 109 H LYS 15 H LYS 15 -10.271 5.031 6.615 110 HA LYS 15 HA LYS 15 -10.248 5.029 9.502 111 1HB LYS 15 1HB LYS 15 -11.823 3.957 7.247 112 2HB LYS 15 2HB LYS 15 -11.908 2.982 8.714 113 1HG LYS 15 1HG LYS 15 -13.324 4.469 9.628 114 2HG LYS 15 2HG LYS 15 -12.102 5.733 9.469 115 1HD LYS 15 1HD LYS 15 -13.760 6.640 8.140 116 2HD LYS 15 2HD LYS 15 -12.906 5.684 6.927 117 1HE LYS 15 1HE LYS 15 -14.604 3.791 7.882 118 2HE LYS 15 2HE LYS 15 -15.593 5.248 8.113 119 1HZ LYS 15 1HZ LYS 15 -14.100 4.699 5.612 120 2HZ LYS 15 2HZ LYS 15 -15.306 5.867 5.870 121 3HZ LYS 15 3HZ LYS 15 -15.710 4.217 5.834 122 H GLN 16 H GLN 16 -8.878 2.951 7.055 123 HA GLN 16 HA GLN 16 -8.196 0.875 9.094 124 1HB GLN 16 1HB GLN 16 -8.534 1.026 6.123 125 2HB GLN 16 2HB GLN 16 -7.402 -0.171 6.756 126 1HG GLN 16 1HG GLN 16 -9.445 -0.640 8.427 127 2HG GLN 16 2HG GLN 16 -10.365 -0.021 7.054 128 1HE2 GLN 16 2HE2 GLN 16 -10.521 -1.347 5.168 129 2HE2 GLN 16 1HE2 GLN 16 -9.845 -2.900 5.072 130 HA PRO 17 HA PRO 17 -4.402 3.448 8.661 131 1HB PRO 17 1HB PRO 17 -3.599 3.081 11.258 132 2HB PRO 17 2HB PRO 17 -4.726 4.358 10.755 133 1HG PRO 17 1HG PRO 17 -5.309 1.694 11.968 134 2HG PRO 17 2HG PRO 17 -6.033 3.273 12.317 135 1HD PRO 17 1HD PRO 17 -7.270 1.442 10.773 136 2HD PRO 17 2HD PRO 17 -7.432 3.190 10.483 137 H VAL 18 H VAL 18 -2.505 2.542 7.971 138 HA VAL 18 HA VAL 18 -1.904 -0.278 8.783 139 HB VAL 18 HB VAL 18 -1.573 1.315 6.235 140 1HG1 VAL 18 1HG1 VAL 18 -0.241 -0.483 5.320 141 2HG1 VAL 18 2HG1 VAL 18 -0.410 -1.424 6.803 142 3HG1 VAL 18 3HG1 VAL 18 0.535 0.066 6.807 143 1HG2 VAL 18 1HG2 VAL 18 -3.233 -0.929 7.220 144 2HG2 VAL 18 2HG2 VAL 18 -2.566 -1.154 5.604 145 3HG2 VAL 18 3HG2 VAL 18 -3.573 0.251 5.954 146 H VAL 19 H VAL 19 0.159 -0.658 9.594 147 HA VAL 19 HA VAL 19 1.859 1.697 10.129 148 HB VAL 19 HB VAL 19 1.943 -1.218 10.960 149 1HG1 VAL 19 1HG1 VAL 19 4.108 -0.717 11.456 150 2HG1 VAL 19 2HG1 VAL 19 3.410 0.173 12.809 151 3HG1 VAL 19 3HG1 VAL 19 3.834 1.021 11.322 152 1HG2 VAL 19 1HG2 VAL 19 0.695 -0.623 12.782 153 2HG2 VAL 19 2HG2 VAL 19 0.156 0.682 11.726 154 3HG2 VAL 19 3HG2 VAL 19 1.442 0.970 12.898 155 H PHE 20 H PHE 20 3.643 2.151 8.859 156 HA PHE 20 HA PHE 20 4.595 0.017 6.990 157 1HB PHE 20 1HB PHE 20 3.822 2.132 5.987 158 2HB PHE 20 2HB PHE 20 4.955 3.036 6.986 159 HD1 PHE 20 HD1 PHE 20 4.968 0.077 4.685 160 HD2 PHE 20 HD2 PHE 20 7.014 3.603 6.025 161 HE1 PHE 20 HE1 PHE 20 6.758 -0.325 3.019 162 HE2 PHE 20 HE2 PHE 20 8.797 3.201 4.358 163 HZ PHE 20 HZ PHE 20 8.674 1.238 2.854 164 H ASN 21 H ASN 21 6.482 -0.974 7.586 165 HA ASN 21 HA ASN 21 8.270 0.380 9.537 166 1HB ASN 21 1HB ASN 21 7.303 -2.271 8.966 167 2HB ASN 21 2HB ASN 21 9.058 -2.258 8.876 168 1HD2 ASN 21 2HD2 ASN 21 6.572 -0.738 11.014 169 2HD2 ASN 21 1HD2 ASN 21 7.368 -1.133 12.460 170 H HIS 22 H HIS 22 9.539 1.772 8.217 171 HA HIS 22 HA HIS 22 10.486 1.363 5.621 172 1HB HIS 22 1HB HIS 22 11.513 2.739 8.084 173 2HB HIS 22 2HB HIS 22 12.529 2.698 6.645 174 HD1 HIS 22 HD1 HIS 22 9.725 4.488 8.142 175 HD2 HIS 22 HD2 HIS 22 11.099 3.833 4.257 176 HE1 HIS 22 HE1 HIS 22 8.678 6.283 6.701 177 H SER 23 H SER 23 11.742 0.027 8.664 178 HA SER 23 HA SER 23 14.217 -1.012 7.863 179 1HB SER 23 1HB SER 23 12.100 -1.610 9.822 180 2HB SER 23 2HB SER 23 13.107 -3.000 9.427 181 HG SER 23 HG SER 23 14.345 -2.061 10.882 182 H THR 24 H THR 24 10.973 -2.417 7.372 183 HA THR 24 HA THR 24 11.940 -4.778 5.979 184 HB THR 24 HB THR 24 9.215 -3.936 5.388 185 HG1 THR 24 1HG THR 24 8.526 -3.755 7.500 186 1HG2 THR 24 1HG2 THR 24 9.294 -6.035 7.280 187 2HG2 THR 24 2HG2 THR 24 10.704 -6.250 6.243 188 3HG2 THR 24 3HG2 THR 24 9.091 -6.175 5.533 189 H HIS 25 H HIS 25 11.766 -1.526 5.107 190 HA HIS 25 HA HIS 25 11.607 -2.214 2.205 191 1HB HIS 25 1HB HIS 25 10.819 0.287 3.726 192 2HB HIS 25 2HB HIS 25 10.612 0.026 1.997 193 HD1 HIS 25 HD1 HIS 25 9.314 -1.108 5.332 194 HD2 HIS 25 HD2 HIS 25 8.519 -1.766 1.295 195 HE1 HIS 25 HE1 HIS 25 7.142 -2.406 5.233 196 H LYS 26 H LYS 26 13.607 -1.065 4.704 197 HA LYS 26 HA LYS 26 15.171 0.974 3.598 198 1HB LYS 26 1HB LYS 26 16.892 0.135 5.083 199 2HB LYS 26 2HB LYS 26 15.337 -0.177 5.856 200 1HG LYS 26 1HG LYS 26 15.370 -2.490 4.982 201 2HG LYS 26 2HG LYS 26 16.939 -2.179 4.238 202 1HD LYS 26 1HD LYS 26 17.831 -1.613 6.522 203 2HD LYS 26 2HD LYS 26 16.291 -2.142 7.198 204 1HE LYS 26 1HE LYS 26 17.406 -4.161 7.330 205 2HE LYS 26 2HE LYS 26 16.875 -4.294 5.642 206 1HZ LYS 26 1HZ LYS 26 19.313 -4.591 5.952 207 2HZ LYS 26 2HZ LYS 26 19.402 -2.980 6.483 208 3HZ LYS 26 3HZ LYS 26 18.906 -3.328 4.896 209 H ALA 27 H ALA 27 14.893 -2.363 2.622 210 HA ALA 27 HA ALA 27 17.310 -2.264 0.916 211 1HB ALA 27 1HB ALA 27 16.287 -4.227 2.349 212 2HB ALA 27 2HB ALA 27 16.990 -4.582 0.771 213 3HB ALA 27 3HB ALA 27 15.241 -4.447 0.946 214 H VAL 28 H VAL 28 14.116 -1.251 0.690 215 HA VAL 28 HA VAL 28 13.665 -1.962 -2.129 216 HB VAL 28 HB VAL 28 12.251 -0.237 -0.082 217 1HG1 VAL 28 1HG1 VAL 28 11.467 -0.922 -2.925 218 2HG1 VAL 28 2HG1 VAL 28 11.753 0.687 -2.262 219 3HG1 VAL 28 3HG1 VAL 28 10.358 -0.250 -1.731 220 1HG2 VAL 28 1HG2 VAL 28 10.874 -2.059 0.292 221 2HG2 VAL 28 2HG2 VAL 28 12.371 -2.900 -0.113 222 3HG2 VAL 28 3HG2 VAL 28 11.113 -2.701 -1.333 223 H LYS 29 H LYS 29 13.005 0.054 -3.558 224 HA LYS 29 HA LYS 29 15.341 1.860 -3.513 225 1HB LYS 29 1HB LYS 29 13.486 0.761 -5.432 226 2HB LYS 29 2HB LYS 29 13.566 2.517 -5.586 227 1HG LYS 29 1HG LYS 29 15.390 2.011 -6.877 228 2HG LYS 29 2HG LYS 29 16.184 2.006 -5.300 229 1HD LYS 29 1HD LYS 29 15.770 -0.447 -5.137 230 2HD LYS 29 2HD LYS 29 15.085 -0.414 -6.762 231 1HE LYS 29 1HE LYS 29 17.905 0.508 -6.104 232 2HE LYS 29 2HE LYS 29 17.504 -1.096 -6.749 233 1HZ LYS 29 1HZ LYS 29 17.825 0.111 -8.671 234 2HZ LYS 29 2HZ LYS 29 17.187 1.544 -8.017 235 3HZ LYS 29 3HZ LYS 29 16.150 0.273 -8.458 236 H CYS 30 H CYS 30 15.067 3.471 -2.072 237 HA CYS 30 HA CYS 30 12.768 4.658 -1.039 238 1HB CYS 30 1HB CYS 30 15.498 5.716 -1.770 239 2HB CYS 30 2HB CYS 30 14.299 6.780 -1.042 240 H GLY 31 H GLY 31 14.099 4.946 -4.251 241 1HA GLY 31 1HA GLY 31 12.375 7.237 -4.940 242 2HA GLY 31 2HA GLY 31 13.517 6.438 -6.024 243 H ASP 32 H ASP 32 12.127 3.816 -4.877 244 HA ASP 32 HA ASP 32 10.261 3.594 -7.126 245 1HB ASP 32 1HB ASP 32 11.826 1.917 -5.514 246 2HB ASP 32 2HB ASP 32 10.168 1.492 -5.110 247 H CYS 33 H CYS 33 10.146 4.090 -3.651 248 HA CYS 33 HA CYS 33 7.176 3.967 -3.597 249 1HB CYS 33 1HB CYS 33 9.448 4.189 -1.621 250 2HB CYS 33 2HB CYS 33 7.815 4.610 -1.115 251 H HIS 34 H HIS 34 9.739 6.267 -2.568 252 HA HIS 34 HA HIS 34 7.884 8.556 -2.868 253 1HB HIS 34 1HB HIS 34 10.787 8.236 -2.024 254 2HB HIS 34 2HB HIS 34 9.947 9.777 -2.055 255 HD1 HIS 34 HD1 HIS 34 7.514 9.637 -0.601 256 HD2 HIS 34 HD2 HIS 34 10.604 7.040 0.440 257 HE1 HIS 34 HE1 HIS 34 7.051 8.880 1.773 258 H HIS 35 H HIS 35 8.333 7.201 -5.298 259 HA HIS 35 HA HIS 35 10.378 7.684 -7.001 260 1HB HIS 35 1HB HIS 35 8.545 8.198 -8.723 261 2HB HIS 35 2HB HIS 35 8.363 6.715 -7.804 262 HD1 HIS 35 HD1 HIS 35 7.031 10.160 -8.117 263 HD2 HIS 35 HD2 HIS 35 6.137 6.683 -6.022 264 HE1 HIS 35 HE1 HIS 35 4.766 10.538 -7.062 265 HA PRO 36 HA PRO 36 11.396 11.884 -7.388 266 1HB PRO 36 1HB PRO 36 11.712 12.182 -10.097 267 2HB PRO 36 2HB PRO 36 12.873 11.322 -9.064 268 1HG PRO 36 1HG PRO 36 10.697 10.217 -10.785 269 2HG PRO 36 2HG PRO 36 12.362 9.649 -10.574 270 1HD PRO 36 1HD PRO 36 10.293 8.459 -9.336 271 2HD PRO 36 2HD PRO 36 11.893 8.597 -8.567 272 H VAL 37 H VAL 37 9.814 13.316 -6.894 273 HA VAL 37 HA VAL 37 7.710 13.895 -8.953 274 HB VAL 37 HB VAL 37 7.651 13.816 -5.927 275 1HG1 VAL 37 1HG1 VAL 37 5.554 14.868 -7.851 276 2HG1 VAL 37 2HG1 VAL 37 6.461 15.827 -6.681 277 3HG1 VAL 37 3HG1 VAL 37 5.308 14.615 -6.123 278 1HG2 VAL 37 1HG2 VAL 37 6.053 12.396 -8.081 279 2HG2 VAL 37 2HG2 VAL 37 5.800 12.215 -6.345 280 3HG2 VAL 37 3HG2 VAL 37 7.309 11.670 -7.078 281 H ASN 38 H ASN 38 7.078 16.187 -9.028 282 HA ASN 38 HA ASN 38 7.693 18.482 -9.154 283 1HB ASN 38 1HB ASN 38 7.094 17.841 -6.729 284 2HB ASN 38 2HB ASN 38 8.812 17.900 -6.421 285 1HD2 ASN 38 2HD2 ASN 38 9.924 20.031 -7.160 286 2HD2 ASN 38 1HD2 ASN 38 9.047 21.466 -6.934 287 H GLY 39 H GLY 39 9.871 16.282 -9.731 288 1HA GLY 39 1HA GLY 39 12.027 16.697 -10.708 289 2HA GLY 39 2HA GLY 39 12.119 18.206 -9.793 290 H LYS 40 H LYS 40 10.986 16.296 -7.498 291 HA LYS 40 HA LYS 40 13.571 14.940 -6.841 292 1HB LYS 40 1HB LYS 40 13.556 16.076 -4.631 293 2HB LYS 40 2HB LYS 40 13.665 17.238 -5.955 294 1HG LYS 40 1HG LYS 40 11.034 17.227 -5.787 295 2HG LYS 40 2HG LYS 40 11.343 16.635 -4.154 296 1HD LYS 40 1HD LYS 40 13.093 18.650 -4.151 297 2HD LYS 40 2HD LYS 40 11.979 19.293 -5.358 298 1HE LYS 40 1HE LYS 40 10.223 19.477 -3.840 299 2HE LYS 40 2HE LYS 40 10.850 18.177 -2.805 300 1HZ LYS 40 1HZ LYS 40 11.190 20.634 -2.093 301 2HZ LYS 40 2HZ LYS 40 12.452 20.610 -3.230 302 3HZ LYS 40 3HZ LYS 40 12.466 19.531 -1.917 303 H GLU 41 H GLU 41 13.270 13.089 -5.558 304 HA GLU 41 HA GLU 41 10.694 11.862 -5.448 305 1HB GLU 41 1HB GLU 41 13.337 11.420 -4.054 306 2HB GLU 41 2HB GLU 41 11.953 10.375 -3.744 307 1HG GLU 41 1HG GLU 41 11.973 9.483 -5.884 308 2HG GLU 41 2HG GLU 41 12.709 10.922 -6.590 309 H ASP 42 H ASP 42 9.028 12.697 -4.219 310 HA ASP 42 HA ASP 42 9.383 14.352 -1.905 311 1HB ASP 42 1HB ASP 42 7.055 12.587 -2.700 312 2HB ASP 42 2HB ASP 42 6.985 13.990 -1.637 313 H TYR 43 H TYR 43 10.681 13.399 -0.332 314 HA TYR 43 HA TYR 43 10.287 10.619 0.510 315 1HB TYR 43 1HB TYR 43 11.941 12.914 1.616 316 2HB TYR 43 2HB TYR 43 12.101 11.227 2.101 317 HD1 TYR 43 HD1 TYR 43 12.466 9.504 0.125 318 HD2 TYR 43 HD2 TYR 43 13.258 13.721 -0.134 319 HE1 TYR 43 HE1 TYR 43 13.988 9.102 -1.790 320 HE2 TYR 43 HE2 TYR 43 14.779 13.316 -2.051 321 HH TYR 43 HH TYR 43 16.067 11.566 -3.035 322 H GLN 44 H GLN 44 7.869 11.997 0.817 323 HA GLN 44 HA GLN 44 7.683 12.305 3.799 324 1HB GLN 44 1HB GLN 44 5.772 13.906 3.148 325 2HB GLN 44 2HB GLN 44 7.413 14.463 2.821 326 1HG GLN 44 1HG GLN 44 7.231 13.815 0.490 327 2HG GLN 44 2HG GLN 44 5.658 13.070 0.781 328 1HE2 GLN 44 2HE2 GLN 44 6.576 16.127 2.319 329 2HE2 GLN 44 1HE2 GLN 44 5.491 17.095 1.445 330 H LYS 45 H LYS 45 5.313 11.961 4.516 331 HA LYS 45 HA LYS 45 4.426 9.390 4.206 332 1HB LYS 45 1HB LYS 45 2.074 10.514 4.522 333 2HB LYS 45 2HB LYS 45 3.293 10.688 5.779 334 1HG LYS 45 1HG LYS 45 3.917 12.885 4.937 335 2HG LYS 45 2HG LYS 45 2.833 12.700 3.558 336 1HD LYS 45 1HD LYS 45 1.868 14.095 5.411 337 2HD LYS 45 2HD LYS 45 0.894 12.679 5.015 338 1HE LYS 45 1HE LYS 45 1.329 11.656 7.028 339 2HE LYS 45 2HE LYS 45 2.984 12.294 7.107 340 1HZ LYS 45 1HZ LYS 45 2.253 14.355 7.817 341 2HZ LYS 45 2HZ LYS 45 1.201 13.310 8.647 342 3HZ LYS 45 3HZ LYS 45 0.672 14.118 7.249 343 H CYS 46 H CYS 46 3.321 8.196 2.694 344 HA CYS 46 HA CYS 46 3.306 8.890 -0.043 345 1HB CYS 46 1HB CYS 46 1.558 6.976 1.523 346 2HB CYS 46 2HB CYS 46 1.833 6.907 -0.211 347 H ALA 47 H ALA 47 0.727 9.125 2.381 348 HA ALA 47 HA ALA 47 -1.022 10.502 0.389 349 1HB ALA 47 1HB ALA 47 -2.670 10.101 2.352 350 2HB ALA 47 2HB ALA 47 -1.399 9.074 3.011 351 3HB ALA 47 3HB ALA 47 -2.111 8.697 1.443 352 H THR 48 H THR 48 0.955 12.174 1.080 353 HA THR 48 HA THR 48 0.929 13.684 3.411 354 HB THR 48 HB THR 48 1.047 15.167 0.842 355 HG1 THR 48 1HG THR 48 3.121 13.381 1.296 356 1HG2 THR 48 1HG2 THR 48 3.457 15.443 1.919 357 2HG2 THR 48 2HG2 THR 48 2.628 14.862 3.363 358 3HG2 THR 48 3HG2 THR 48 2.074 16.331 2.558 359 H ALA 49 H ALA 49 0.136 16.226 3.049 360 HA ALA 49 HA ALA 49 -2.732 16.141 3.445 361 1HB ALA 49 1HB ALA 49 -1.407 17.735 4.636 362 2HB ALA 49 2HB ALA 49 -2.337 18.678 3.471 363 3HB ALA 49 3HB ALA 49 -0.642 18.309 3.154 364 H GLY 50 H GLY 50 -0.678 16.731 0.671 365 1HA GLY 50 1HA GLY 50 -3.135 17.197 -0.963 366 2HA GLY 50 2HA GLY 50 -1.710 18.210 -1.200 367 H CYS 51 H CYS 51 -1.755 14.753 -0.508 368 HA CYS 51 HA CYS 51 -0.623 14.247 -3.235 369 1HB CYS 51 1HB CYS 51 0.725 14.321 -0.857 370 2HB CYS 51 2HB CYS 51 0.348 12.626 -0.953 371 H HIS 52 H HIS 52 -0.499 11.417 -1.531 372 HA HIS 52 HA HIS 52 -2.869 10.329 -2.856 373 1HB HIS 52 1HB HIS 52 -0.810 9.251 -0.919 374 2HB HIS 52 2HB HIS 52 -2.080 8.259 -1.598 375 HD1 HIS 52 HD1 HIS 52 -2.159 8.730 -4.399 376 HD2 HIS 52 HD2 HIS 52 1.482 8.929 -2.413 377 HE1 HIS 52 HE1 HIS 52 -0.370 8.374 -6.164 378 H ASP 53 H ASP 53 -3.866 12.298 -1.268 379 HA ASP 53 HA ASP 53 -4.759 10.988 1.265 380 1HB ASP 53 1HB ASP 53 -5.271 13.319 1.929 381 2HB ASP 53 2HB ASP 53 -3.593 13.153 1.410 382 H ASN 54 H ASN 54 -5.940 10.611 -1.586 383 HA ASN 54 HA ASN 54 -8.565 11.908 -1.411 384 1HB ASN 54 1HB ASN 54 -7.020 10.867 -3.406 385 2HB ASN 54 2HB ASN 54 -8.144 9.541 -3.148 386 1HD2 ASN 54 2HD2 ASN 54 -9.873 9.723 -4.565 387 2HD2 ASN 54 1HD2 ASN 54 -10.622 11.180 -5.012 388 H MET 55 H MET 55 -9.760 11.203 0.354 389 HA MET 55 HA MET 55 -9.665 8.444 1.292 390 1HB MET 55 1HB MET 55 -11.580 10.706 1.949 391 2HB MET 55 2HB MET 55 -11.224 9.299 2.951 392 1HG MET 55 1HG MET 55 -9.173 11.371 2.125 393 2HG MET 55 2HG MET 55 -9.992 11.345 3.686 394 1HE MET 55 1HE MET 55 -7.246 11.589 3.103 395 2HE MET 55 2HE MET 55 -6.141 10.231 3.298 396 3HE MET 55 3HE MET 55 -6.920 10.934 4.713 397 H ASP 56 H ASP 56 -10.831 9.328 -1.510 398 HA ASP 56 HA ASP 56 -13.624 8.473 -1.363 399 1HB ASP 56 1HB ASP 56 -12.043 9.953 -3.073 400 2HB ASP 56 2HB ASP 56 -12.215 8.434 -3.954 401 H LYS 57 H LYS 57 -10.540 6.950 -1.633 402 HA LYS 57 HA LYS 57 -9.930 4.688 -1.938 403 1HB LYS 57 1HB LYS 57 -12.868 4.319 -1.293 404 2HB LYS 57 2HB LYS 57 -11.592 3.125 -1.066 405 1HG LYS 57 1HG LYS 57 -10.582 4.372 0.677 406 2HG LYS 57 2HG LYS 57 -11.472 5.836 0.256 407 1HD LYS 57 1HD LYS 57 -12.664 3.290 1.396 408 2HD LYS 57 2HD LYS 57 -12.456 4.817 2.255 409 1HE LYS 57 1HE LYS 57 -13.833 5.542 -0.069 410 2HE LYS 57 2HE LYS 57 -14.592 4.019 0.437 411 1HZ LYS 57 1HZ LYS 57 -15.098 4.850 2.511 412 2HZ LYS 57 2HZ LYS 57 -15.338 6.226 1.543 413 3HZ LYS 57 3HZ LYS 57 -13.910 6.058 2.449 414 H LYS 58 H LYS 58 -11.443 6.353 -4.148 415 HA LYS 58 HA LYS 58 -11.909 4.002 -5.952 416 1HB LYS 58 1HB LYS 58 -13.459 6.608 -5.792 417 2HB LYS 58 2HB LYS 58 -13.797 5.275 -6.897 418 1HG LYS 58 1HG LYS 58 -13.621 4.391 -4.116 419 2HG LYS 58 2HG LYS 58 -14.888 5.595 -4.359 420 1HD LYS 58 1HD LYS 58 -14.547 3.135 -6.095 421 2HD LYS 58 2HD LYS 58 -15.654 3.223 -4.725 422 1HE LYS 58 1HE LYS 58 -16.791 5.169 -5.797 423 2HE LYS 58 2HE LYS 58 -15.726 4.982 -7.203 424 1HZ LYS 58 1HZ LYS 58 -17.969 3.745 -7.204 425 2HZ LYS 58 2HZ LYS 58 -17.212 2.672 -6.125 426 3HZ LYS 58 3HZ LYS 58 -16.580 2.899 -7.686 427 H ASP 59 H ASP 59 -10.596 7.215 -5.497 428 HA ASP 59 HA ASP 59 -10.192 8.071 -8.156 429 1HB ASP 59 1HB ASP 59 -9.690 9.557 -6.392 430 2HB ASP 59 2HB ASP 59 -8.690 8.367 -5.557 431 H LYS 60 H LYS 60 -9.417 6.645 -9.702 432 HA LYS 60 HA LYS 60 -7.222 4.773 -9.053 433 1HB LYS 60 1HB LYS 60 -9.370 5.085 -10.989 434 2HB LYS 60 2HB LYS 60 -7.844 4.720 -11.797 435 1HG LYS 60 1HG LYS 60 -8.560 3.143 -9.358 436 2HG LYS 60 2HG LYS 60 -9.394 2.770 -10.867 437 1HD LYS 60 1HD LYS 60 -6.385 2.999 -10.727 438 2HD LYS 60 2HD LYS 60 -7.220 1.479 -10.403 439 1HE LYS 60 1HE LYS 60 -8.033 1.310 -12.612 440 2HE LYS 60 2HE LYS 60 -7.792 3.040 -12.927 441 1HZ LYS 60 1HZ LYS 60 -5.336 2.348 -12.234 442 2HZ LYS 60 2HZ LYS 60 -5.879 2.287 -13.842 443 3HZ LYS 60 3HZ LYS 60 -5.842 0.873 -12.901 444 H SER 61 H SER 61 -6.910 7.838 -9.251 445 HA SER 61 HA SER 61 -5.028 8.050 -11.548 446 1HB SER 61 1HB SER 61 -6.918 9.717 -10.349 447 2HB SER 61 2HB SER 61 -5.376 10.374 -9.810 448 HG SER 61 HG SER 61 -5.115 11.116 -11.749 449 H ALA 62 H ALA 62 -3.239 9.910 -10.553 450 HA ALA 62 HA ALA 62 -1.574 8.240 -8.771 451 1HB ALA 62 1HB ALA 62 -0.004 9.181 -10.092 452 2HB ALA 62 2HB ALA 62 -0.414 10.768 -9.444 453 3HB ALA 62 3HB ALA 62 -1.249 10.155 -10.871 454 H LYS 63 H LYS 63 -4.057 9.909 -7.873 455 HA LYS 63 HA LYS 63 -2.646 11.404 -5.683 456 1HB LYS 63 1HB LYS 63 -4.159 12.436 -7.735 457 2HB LYS 63 2HB LYS 63 -5.361 12.251 -6.454 458 1HG LYS 63 1HG LYS 63 -4.447 13.905 -5.195 459 2HG LYS 63 2HG LYS 63 -2.798 13.376 -5.537 460 1HD LYS 63 1HD LYS 63 -2.694 15.269 -6.796 461 2HD LYS 63 2HD LYS 63 -3.568 14.308 -7.989 462 1HE LYS 63 1HE LYS 63 -5.701 15.189 -7.237 463 2HE LYS 63 2HE LYS 63 -4.924 16.018 -5.873 464 1HZ LYS 63 1HZ LYS 63 -5.266 17.475 -7.832 465 2HZ LYS 63 2HZ LYS 63 -4.227 16.472 -8.726 466 3HZ LYS 63 3HZ LYS 63 -3.637 17.331 -7.384 467 H GLY 64 H GLY 64 -5.006 9.029 -6.542 468 1HA GLY 64 1HA GLY 64 -6.514 9.245 -4.047 469 2HA GLY 64 2HA GLY 64 -6.715 7.995 -5.265 470 H TYR 65 H TYR 65 -5.859 8.397 -2.162 471 HA TYR 65 HA TYR 65 -3.464 7.045 -1.661 472 1HB TYR 65 1HB TYR 65 -5.375 8.087 -0.162 473 2HB TYR 65 2HB TYR 65 -5.991 6.437 -0.140 474 HD1 TYR 65 HD1 TYR 65 -5.586 6.586 2.367 475 HD2 TYR 65 HD2 TYR 65 -2.401 6.702 -0.514 476 HE1 TYR 65 HE1 TYR 65 -3.959 5.989 4.137 477 HE2 TYR 65 HE2 TYR 65 -0.779 6.106 1.258 478 HH TYR 65 HH TYR 65 -1.848 5.538 4.611 479 H TYR 66 H TYR 66 -6.678 5.491 -1.688 480 HA TYR 66 HA TYR 66 -6.090 2.822 -1.604 481 1HB TYR 66 1HB TYR 66 -8.231 4.370 -2.149 482 2HB TYR 66 2HB TYR 66 -7.952 3.689 -3.749 483 HD1 TYR 66 HD1 TYR 66 -7.735 1.145 -3.962 484 HD2 TYR 66 HD2 TYR 66 -9.254 3.106 -0.461 485 HE1 TYR 66 HE1 TYR 66 -8.805 -0.975 -3.244 486 HE2 TYR 66 HE2 TYR 66 -10.327 0.988 0.258 487 HH TYR 66 HH TYR 66 -11.065 -1.394 -1.516 488 H HIS 67 H HIS 67 -6.510 4.432 -4.764 489 HA HIS 67 HA HIS 67 -5.673 2.514 -6.504 490 1HB HIS 67 1HB HIS 67 -6.332 4.672 -7.278 491 2HB HIS 67 2HB HIS 67 -5.015 5.460 -6.407 492 HD1 HIS 67 HD1 HIS 67 -5.430 2.837 -9.135 493 HD2 HIS 67 HD2 HIS 67 -2.762 5.817 -7.972 494 HE1 HIS 67 HE1 HIS 67 -3.566 2.829 -10.841 495 H ALA 68 H ALA 68 -3.202 4.944 -5.825 496 HA ALA 68 HA ALA 68 -0.956 3.492 -6.521 497 1HB ALA 68 1HB ALA 68 -0.453 5.665 -6.001 498 2HB ALA 68 2HB ALA 68 -0.022 4.970 -4.437 499 3HB ALA 68 3HB ALA 68 -1.604 5.715 -4.666 500 H MET 69 H MET 69 -2.873 3.049 -3.607 501 HA MET 69 HA MET 69 -0.760 1.481 -2.279 502 1HB MET 69 1HB MET 69 -3.616 2.196 -1.598 503 2HB MET 69 2HB MET 69 -2.510 1.367 -0.507 504 1HG MET 69 1HG MET 69 -1.303 3.746 -1.674 505 2HG MET 69 2HG MET 69 -2.773 4.128 -0.777 506 1HE MET 69 1HE MET 69 0.585 3.856 -0.956 507 2HE MET 69 2HE MET 69 1.294 3.575 0.634 508 3HE MET 69 3HE MET 69 0.408 5.066 0.323 509 H HIS 70 H HIS 70 -3.849 0.831 -3.945 510 HA HIS 70 HA HIS 70 -3.400 -2.072 -3.392 511 1HB HIS 70 1HB HIS 70 -5.870 -0.567 -4.308 512 2HB HIS 70 2HB HIS 70 -5.807 -2.259 -3.813 513 HD1 HIS 70 HD1 HIS 70 -5.869 1.209 -2.464 514 HD2 HIS 70 HD2 HIS 70 -5.359 -2.652 -0.986 515 HE1 HIS 70 HE1 HIS 70 -6.078 1.376 0.055 516 H ASP 71 H ASP 71 -3.170 0.263 -5.891 517 HA ASP 71 HA ASP 71 -3.830 -1.564 -8.095 518 1HB ASP 71 1HB ASP 71 -2.732 1.228 -7.782 519 2HB ASP 71 2HB ASP 71 -2.830 0.463 -9.366 520 H LYS 72 H LYS 72 -2.185 -2.084 -9.777 521 HA LYS 72 HA LYS 72 0.516 -2.555 -8.563 522 1HB LYS 72 1HB LYS 72 -0.873 -4.097 -10.769 523 2HB LYS 72 2HB LYS 72 0.540 -4.599 -9.841 524 1HG LYS 72 1HG LYS 72 -0.812 -5.554 -8.321 525 2HG LYS 72 2HG LYS 72 -1.519 -3.975 -7.976 526 1HD LYS 72 1HD LYS 72 -3.092 -4.279 -9.869 527 2HD LYS 72 2HD LYS 72 -2.407 -5.876 -10.166 528 1HE LYS 72 1HE LYS 72 -3.639 -6.800 -8.500 529 2HE LYS 72 2HE LYS 72 -3.174 -5.519 -7.363 530 1HZ LYS 72 1HZ LYS 72 -5.011 -4.918 -9.584 531 2HZ LYS 72 2HZ LYS 72 -4.849 -4.134 -8.085 532 3HZ LYS 72 3HZ LYS 72 -5.616 -5.648 -8.178 533 H GLY 73 H GLY 73 -0.986 -2.332 -11.800 534 1HA GLY 73 1HA GLY 73 1.442 -1.467 -13.085 535 2HA GLY 73 2HA GLY 73 -0.175 -1.358 -13.784 536 H THR 74 H THR 74 1.578 0.156 -11.058 537 HA THR 74 HA THR 74 0.266 2.751 -11.733 538 HB THR 74 HB THR 74 1.372 3.209 -9.383 539 HG1 THR 74 1HG THR 74 1.147 0.413 -9.235 540 1HG2 THR 74 1HG2 THR 74 -0.566 1.949 -8.298 541 2HG2 THR 74 2HG2 THR 74 -0.960 1.360 -9.915 542 3HG2 THR 74 3HG2 THR 74 -1.006 3.089 -9.570 543 H LYS 75 H LYS 75 1.659 4.713 -11.612 544 HA LYS 75 HA LYS 75 3.838 4.882 -13.270 545 1HB LYS 75 1HB LYS 75 2.540 6.572 -11.633 546 2HB LYS 75 2HB LYS 75 3.990 6.347 -10.660 547 1HG LYS 75 1HG LYS 75 4.171 8.279 -12.233 548 2HG LYS 75 2HG LYS 75 5.401 7.049 -12.518 549 1HD LYS 75 1HD LYS 75 3.053 6.389 -14.037 550 2HD LYS 75 2HD LYS 75 3.506 8.061 -14.373 551 1HE LYS 75 1HE LYS 75 5.426 7.447 -15.451 552 2HE LYS 75 2HE LYS 75 5.776 6.156 -14.282 553 1HZ LYS 75 1HZ LYS 75 5.000 5.504 -16.642 554 2HZ LYS 75 2HZ LYS 75 3.455 5.942 -16.088 555 3HZ LYS 75 3HZ LYS 75 4.320 4.705 -15.309 556 H PHE 76 H PHE 76 3.821 3.708 -9.946 557 HA PHE 76 HA PHE 76 6.597 2.654 -10.328 558 1HB PHE 76 1HB PHE 76 5.548 4.124 -7.890 559 2HB PHE 76 2HB PHE 76 7.172 3.484 -8.101 560 HD1 PHE 76 HD1 PHE 76 8.601 4.414 -10.016 561 HD2 PHE 76 HD2 PHE 76 4.926 6.225 -8.729 562 HE1 PHE 76 HE1 PHE 76 9.230 6.518 -11.170 563 HE2 PHE 76 HE2 PHE 76 5.555 8.325 -9.880 564 HZ PHE 76 HZ PHE 76 7.701 8.466 -11.098 565 H LYS 77 H LYS 77 7.063 1.102 -8.320 566 HA LYS 77 HA LYS 77 4.894 -0.825 -8.246 567 1HB LYS 77 1HB LYS 77 6.414 -2.013 -6.728 568 2HB LYS 77 2HB LYS 77 7.283 -1.435 -8.148 569 1HG LYS 77 1HG LYS 77 7.743 0.675 -6.662 570 2HG LYS 77 2HG LYS 77 7.373 -0.418 -5.328 571 1HD LYS 77 1HD LYS 77 9.544 -0.715 -7.417 572 2HD LYS 77 2HD LYS 77 9.746 -0.562 -5.671 573 1HE LYS 77 1HE LYS 77 9.512 -2.802 -5.392 574 2HE LYS 77 2HE LYS 77 8.020 -2.819 -6.353 575 1HZ LYS 77 1HZ LYS 77 9.425 -3.951 -7.744 576 2HZ LYS 77 2HZ LYS 77 10.806 -3.094 -7.244 577 3HZ LYS 77 3HZ LYS 77 9.684 -2.367 -8.292 578 H SER 78 H SER 78 3.162 -0.468 -7.096 579 HA SER 78 HA SER 78 2.969 1.470 -4.943 580 1HB SER 78 1HB SER 78 0.624 0.051 -4.998 581 2HB SER 78 2HB SER 78 0.997 1.400 -6.066 582 HG SER 78 HG SER 78 0.525 -1.083 -6.744 583 H CYS 79 H CYS 79 1.592 0.670 -2.953 584 HA CYS 79 HA CYS 79 3.195 -0.999 -1.303 585 1HB CYS 79 1HB CYS 79 0.290 -0.136 -1.207 586 2HB CYS 79 2HB CYS 79 1.124 -0.889 0.148 587 H VAL 80 H VAL 80 -0.132 -1.739 -2.380 588 HA VAL 80 HA VAL 80 0.153 -4.586 -1.932 589 HB VAL 80 HB VAL 80 -1.802 -2.792 -3.373 590 1HG1 VAL 80 1HG1 VAL 80 -3.094 -5.209 -2.970 591 2HG1 VAL 80 2HG1 VAL 80 -1.496 -5.701 -3.530 592 3HG1 VAL 80 3HG1 VAL 80 -2.483 -4.623 -4.517 593 1HG2 VAL 80 1HG2 VAL 80 -1.416 -3.271 -0.700 594 2HG2 VAL 80 2HG2 VAL 80 -2.623 -4.495 -1.096 595 3HG2 VAL 80 3HG2 VAL 80 -2.961 -2.792 -1.402 596 H GLY 81 H GLY 81 0.769 -2.432 -4.628 597 1HA GLY 81 1HA GLY 81 0.786 -4.423 -6.715 598 2HA GLY 81 2HA GLY 81 1.558 -2.838 -6.805 599 H CYS 82 H CYS 82 3.326 -3.032 -4.638 600 HA CYS 82 HA CYS 82 5.453 -4.675 -5.793 601 1HB CYS 82 1HB CYS 82 5.581 -2.397 -4.565 602 2HB CYS 82 2HB CYS 82 5.390 -3.325 -3.081 603 H HIS 83 H HIS 83 3.026 -4.965 -3.365 604 HA HIS 83 HA HIS 83 4.229 -7.087 -1.810 605 1HB HIS 83 1HB HIS 83 1.620 -5.668 -2.113 606 2HB HIS 83 2HB HIS 83 1.616 -7.191 -1.245 607 HD1 HIS 83 HD1 HIS 83 1.191 -5.883 1.020 608 HD2 HIS 83 HD2 HIS 83 4.787 -4.955 -0.876 609 HE1 HIS 83 HE1 HIS 83 2.609 -4.680 2.733 610 H LEU 84 H LEU 84 1.480 -7.105 -4.150 611 HA LEU 84 HA LEU 84 1.134 -9.886 -4.358 612 1HB LEU 84 1HB LEU 84 0.286 -7.494 -5.569 613 2HB LEU 84 2HB LEU 84 0.916 -8.475 -6.888 614 HG LEU 84 HG LEU 84 -0.883 -9.724 -4.846 615 1HD1 LEU 84 1HD1 LEU 84 -1.916 -8.337 -7.327 616 2HD1 LEU 84 2HD1 LEU 84 -1.911 -7.560 -5.744 617 3HD1 LEU 84 3HD1 LEU 84 -2.855 -9.028 -6.002 618 1HD2 LEU 84 1HD2 LEU 84 0.023 -10.233 -7.655 619 2HD2 LEU 84 2HD2 LEU 84 -1.561 -10.837 -7.167 620 3HD2 LEU 84 3HD2 LEU 84 -0.114 -11.358 -6.304 621 H GLU 85 H GLU 85 3.667 -7.820 -5.614 622 HA GLU 85 HA GLU 85 4.731 -9.948 -7.388 623 1HB GLU 85 1HB GLU 85 5.069 -7.028 -6.929 624 2HB GLU 85 2HB GLU 85 6.496 -7.890 -7.502 625 1HG GLU 85 1HG GLU 85 4.678 -8.953 -9.171 626 2HG GLU 85 2HG GLU 85 3.902 -7.397 -8.879 627 H THR 86 H THR 86 5.877 -7.944 -4.637 628 HA THR 86 HA THR 86 8.358 -9.194 -4.183 629 HB THR 86 HB THR 86 6.278 -7.855 -2.459 630 HG1 THR 86 1HG THR 86 8.819 -7.274 -3.515 631 1HG2 THR 86 1HG2 THR 86 7.777 -7.946 -0.545 632 2HG2 THR 86 2HG2 THR 86 8.968 -8.850 -1.481 633 3HG2 THR 86 3HG2 THR 86 7.422 -9.592 -1.070 634 H ALA 87 H ALA 87 5.155 -10.436 -3.719 635 HA ALA 87 HA ALA 87 5.978 -12.558 -1.848 636 1HB ALA 87 1HB ALA 87 3.793 -11.892 -1.451 637 2HB ALA 87 2HB ALA 87 3.482 -13.206 -2.586 638 3HB ALA 87 3HB ALA 87 3.488 -11.535 -3.152 639 H GLY 88 H GLY 88 5.188 -12.192 -5.277 640 1HA GLY 88 1HA GLY 88 5.538 -13.633 -7.094 641 2HA GLY 88 2HA GLY 88 6.786 -14.396 -6.108 642 H ALA 89 H ALA 89 6.385 -16.553 -6.097 643 HA ALA 89 HA ALA 89 3.581 -17.537 -6.081 644 1HB ALA 89 1HB ALA 89 5.599 -18.297 -7.556 645 2HB ALA 89 2HB ALA 89 4.536 -19.529 -6.879 646 3HB ALA 89 3HB ALA 89 6.091 -19.191 -6.120 647 H ASP 90 H ASP 90 4.269 -16.311 -3.662 648 HA ASP 90 HA ASP 90 4.675 -18.642 -1.831 649 1HB ASP 90 1HB ASP 90 6.506 -17.035 -1.788 650 2HB ASP 90 2HB ASP 90 5.377 -15.704 -1.551 651 H ALA 91 H ALA 91 2.322 -18.914 -2.055 652 HA ALA 91 HA ALA 91 0.215 -17.225 -1.612 653 1HB ALA 91 1HB ALA 91 0.522 -19.793 -0.047 654 2HB ALA 91 2HB ALA 91 0.347 -19.795 -1.801 655 3HB ALA 91 3HB ALA 91 -0.938 -19.139 -0.789 656 H ALA 92 H ALA 92 2.673 -18.066 0.743 657 HA ALA 92 HA ALA 92 1.237 -17.034 3.064 658 1HB ALA 92 1HB ALA 92 4.205 -17.154 3.017 659 2HB ALA 92 2HB ALA 92 3.383 -18.666 2.630 660 3HB ALA 92 3HB ALA 92 3.075 -17.865 4.171 661 H LYS 93 H LYS 93 3.693 -15.873 0.807 662 HA LYS 93 HA LYS 93 4.023 -13.273 2.056 663 1HB LYS 93 1HB LYS 93 4.886 -14.796 -0.334 664 2HB LYS 93 2HB LYS 93 4.912 -13.047 -0.513 665 1HG LYS 93 1HG LYS 93 6.234 -12.903 1.607 666 2HG LYS 93 2HG LYS 93 6.282 -14.666 1.650 667 1HD LYS 93 1HD LYS 93 7.422 -14.697 -0.534 668 2HD LYS 93 2HD LYS 93 7.367 -12.935 -0.593 669 1HE LYS 93 1HE LYS 93 9.174 -12.746 0.772 670 2HE LYS 93 2HE LYS 93 8.526 -13.944 1.910 671 1HZ LYS 93 1HZ LYS 93 9.464 -15.665 0.794 672 2HZ LYS 93 2HZ LYS 93 10.596 -14.472 0.368 673 3HZ LYS 93 3HZ LYS 93 9.363 -14.903 -0.717 674 H LYS 94 H LYS 94 1.834 -14.709 -0.264 675 HA LYS 94 HA LYS 94 0.895 -12.173 -1.389 676 1HB LYS 94 1HB LYS 94 0.529 -15.039 -1.721 677 2HB LYS 94 2HB LYS 94 -1.022 -14.200 -1.762 678 1HG LYS 94 1HG LYS 94 0.392 -12.519 -3.313 679 2HG LYS 94 2HG LYS 94 1.286 -14.006 -3.636 680 1HD LYS 94 1HD LYS 94 -1.432 -14.735 -3.722 681 2HD LYS 94 2HD LYS 94 -1.323 -13.211 -4.605 682 1HE LYS 94 1HE LYS 94 -0.916 -15.075 -6.153 683 2HE LYS 94 2HE LYS 94 0.601 -14.182 -5.916 684 1HZ LYS 94 1HZ LYS 94 1.385 -15.754 -4.410 685 2HZ LYS 94 2HZ LYS 94 0.663 -16.707 -5.616 686 3HZ LYS 94 3HZ LYS 94 -0.148 -16.429 -4.149 687 H LYS 95 H LYS 95 0.148 -14.155 1.384 688 HA LYS 95 HA LYS 95 -2.444 -12.831 1.893 689 1HB LYS 95 1HB LYS 95 -2.507 -14.391 3.762 690 2HB LYS 95 2HB LYS 95 -1.932 -15.255 2.338 691 1HG LYS 95 1HG LYS 95 0.122 -15.606 3.234 692 2HG LYS 95 2HG LYS 95 0.208 -13.979 3.905 693 1HD LYS 95 1HD LYS 95 -1.823 -15.590 5.235 694 2HD LYS 95 2HD LYS 95 -0.224 -16.323 5.350 695 1HE LYS 95 1HE LYS 95 0.591 -13.939 6.011 696 2HE LYS 95 2HE LYS 95 -1.124 -13.617 6.338 697 1HZ LYS 95 1HZ LYS 95 0.062 -16.122 7.307 698 2HZ LYS 95 2HZ LYS 95 -1.222 -15.216 7.954 699 3HZ LYS 95 3HZ LYS 95 0.382 -14.695 8.166 700 H GLU 96 H GLU 96 0.897 -12.468 2.685 701 HA GLU 96 HA GLU 96 0.372 -10.756 5.053 702 1HB GLU 96 1HB GLU 96 2.787 -10.927 5.292 703 2HB GLU 96 2HB GLU 96 2.167 -12.520 4.901 704 1HG GLU 96 1HG GLU 96 2.796 -12.241 2.585 705 2HG GLU 96 2HG GLU 96 3.305 -10.581 2.894 706 H LEU 97 H LEU 97 1.816 -10.591 1.833 707 HA LEU 97 HA LEU 97 2.325 -7.718 1.938 708 1HB LEU 97 1HB LEU 97 2.275 -9.724 -0.327 709 2HB LEU 97 2HB LEU 97 3.018 -8.126 -0.384 710 HG LEU 97 HG LEU 97 3.849 -10.507 1.269 711 1HD1 LEU 97 1HD1 LEU 97 6.085 -9.737 0.265 712 2HD1 LEU 97 2HD1 LEU 97 5.112 -8.718 -0.795 713 3HD1 LEU 97 3HD1 LEU 97 4.918 -10.470 -0.833 714 1HD2 LEU 97 1HD2 LEU 97 5.540 -8.864 2.268 715 2HD2 LEU 97 2HD2 LEU 97 3.883 -8.711 2.855 716 3HD2 LEU 97 3HD2 LEU 97 4.502 -7.576 1.655 717 H THR 98 H THR 98 0.218 -9.626 -0.242 718 HA THR 98 HA THR 98 -1.390 -7.198 -0.756 719 HB THR 98 HB THR 98 -2.415 -8.660 -2.468 720 HG1 THR 98 1HG THR 98 -2.345 -10.708 -2.102 721 1HG2 THR 98 1HG2 THR 98 0.377 -9.392 -2.901 722 2HG2 THR 98 2HG2 THR 98 0.205 -7.724 -2.358 723 3HG2 THR 98 3HG2 THR 98 -0.638 -8.270 -3.808 724 H GLY 99 H GLY 99 -1.475 -9.734 1.477 725 1HA GLY 99 1HA GLY 99 -4.221 -10.410 1.591 726 2HA GLY 99 2HA GLY 99 -3.145 -10.404 2.989 727 H CYS 100 H CYS 100 -5.925 -9.070 1.853 728 HA CYS 100 HA CYS 100 -5.586 -6.328 2.806 729 1HB CYS 100 1HB CYS 100 -8.279 -7.485 2.568 730 2HB CYS 100 2HB CYS 100 -7.642 -6.020 1.875 731 H LYS 101 H LYS 101 -7.721 -8.972 3.888 732 HA LYS 101 HA LYS 101 -7.828 -7.668 6.557 733 1HB LYS 101 1HB LYS 101 -9.685 -8.801 4.836 734 2HB LYS 101 2HB LYS 101 -9.482 -10.032 6.081 735 1HG LYS 101 1HG LYS 101 -11.059 -8.753 7.155 736 2HG LYS 101 2HG LYS 101 -9.626 -7.859 7.661 737 1HD LYS 101 1HD LYS 101 -10.687 -6.062 6.760 738 2HD LYS 101 2HD LYS 101 -10.139 -6.724 5.219 739 1HE LYS 101 1HE LYS 101 -12.253 -7.919 4.927 740 2HE LYS 101 2HE LYS 101 -12.805 -7.380 6.526 741 1HZ LYS 101 1HZ LYS 101 -13.419 -5.993 4.431 742 2HZ LYS 101 2HZ LYS 101 -11.834 -5.399 4.581 743 3HZ LYS 101 3HZ LYS 101 -12.943 -5.201 5.853 744 H GLY 102 H GLY 102 -5.610 -9.606 5.438 745 1HA GLY 102 1HA GLY 102 -5.279 -11.025 7.978 746 2HA GLY 102 2HA GLY 102 -5.579 -12.095 6.608 747 H SER 103 H SER 103 -3.714 -9.064 6.568 748 HA SER 103 HA SER 103 -1.304 -10.689 5.868 749 1HB SER 103 1HB SER 103 -1.029 -9.326 4.053 750 2HB SER 103 2HB SER 103 -2.759 -9.150 4.228 751 HG SER 103 HG SER 103 -2.489 -7.202 5.121 752 H LYS 104 H LYS 104 0.217 -8.191 5.641 753 HA LYS 104 HA LYS 104 0.774 -7.728 8.538 754 1HB LYS 104 1HB LYS 104 2.268 -7.241 5.942 755 2HB LYS 104 2HB LYS 104 2.916 -6.872 7.539 756 1HG LYS 104 1HG LYS 104 1.866 -9.630 7.061 757 2HG LYS 104 2HG LYS 104 3.429 -9.207 6.362 758 1HD LYS 104 1HD LYS 104 3.459 -8.198 9.002 759 2HD LYS 104 2HD LYS 104 2.787 -9.826 9.109 760 1HE LYS 104 1HE LYS 104 5.244 -9.342 7.432 761 2HE LYS 104 2HE LYS 104 5.391 -9.556 9.188 762 1HZ LYS 104 1HZ LYS 104 3.747 -11.379 7.541 763 2HZ LYS 104 2HZ LYS 104 4.369 -11.634 9.100 764 3HZ LYS 104 3HZ LYS 104 5.406 -11.653 7.755 765 H CYS 105 H CYS 105 -0.239 -6.285 5.573 766 HA CYS 105 HA CYS 105 0.160 -3.512 6.347 767 1HB CYS 105 1HB CYS 105 -0.212 -5.029 4.061 768 2HB CYS 105 2HB CYS 105 -1.736 -4.193 4.224 769 H HIS 106 H HIS 106 -2.422 -5.872 6.660 770 HA HIS 106 HA HIS 106 -4.172 -3.727 7.824 771 1HB HIS 106 1HB HIS 106 -4.647 -5.975 5.911 772 2HB HIS 106 2HB HIS 106 -5.958 -5.540 7.008 773 HD1 HIS 106 HD1 HIS 106 -5.147 -2.434 7.031 774 HD2 HIS 106 HD2 HIS 106 -5.926 -4.759 3.640 775 HE1 HIS 106 HE1 HIS 106 -5.687 -0.813 5.170 776 H SER 107 H SER 107 -2.522 -4.850 9.621 777 HA SER 107 HA SER 107 -3.039 -7.355 10.759 778 1HB SER 107 1HB SER 107 -1.407 -5.405 11.356 779 2HB SER 107 2HB SER 107 -2.706 -4.853 12.410 780 HG SER 107 HG SER 107 -1.903 -7.544 12.468 781 HHA HEC 201 HHA HEC 201 6.048 8.527 5.683 782 HHB HEC 201 HHB HEC 201 12.083 9.831 4.648 783 HHC HEC 201 HHC HEC 201 12.627 4.637 1.069 784 HHD HEC 201 HHD HEC 201 6.506 3.549 1.728 785 1HMA HEC 201 1HMA HEC 201 10.161 11.978 6.251 786 2HMA HEC 201 2HMA HEC 201 11.357 10.774 6.729 787 3HMA HEC 201 3HMA HEC 201 9.890 10.988 7.686 788 1HAA HEC 201 1HAA HEC 201 7.004 9.401 7.713 789 2HAA HEC 201 2HAA HEC 201 7.998 10.853 7.780 790 1HBA HEC 201 1HBA HEC 201 6.510 11.226 5.480 791 2HBA HEC 201 2HBA HEC 201 5.361 10.457 6.575 792 1HMB HEC 201 1HMB HEC 201 14.856 9.316 2.697 793 2HMB HEC 201 2HMB HEC 201 14.028 9.686 4.210 794 3HMB HEC 201 3HMB HEC 201 15.198 8.368 4.145 795 HAB HEC 201 HAB HEC 201 14.441 5.476 1.136 796 1HBB HEC 201 1HBB HEC 201 16.695 5.985 2.608 797 2HBB HEC 201 2HBB HEC 201 15.629 4.604 2.869 798 3HBB HEC 201 3HBB HEC 201 15.444 6.059 3.849 799 1HMC HEC 201 1HMC HEC 201 11.478 1.597 0.423 800 2HMC HEC 201 2HMC HEC 201 12.261 3.087 -0.101 801 3HMC HEC 201 3HMC HEC 201 10.922 2.419 -1.034 802 HAC HEC 201 HAC HEC 201 7.179 2.167 0.562 803 1HBC HEC 201 1HBC HEC 201 8.317 0.277 1.293 804 2HBC HEC 201 2HBC HEC 201 9.806 0.731 0.467 805 3HBC HEC 201 3HBC HEC 201 8.447 0.088 -0.455 806 1HMD HEC 201 1HMD HEC 201 4.675 3.172 3.642 807 2HMD HEC 201 2HMD HEC 201 3.488 4.330 4.238 808 3HMD HEC 201 3HMD HEC 201 3.810 4.211 2.507 809 1HAD HEC 201 1HAD HEC 201 4.276 7.854 5.473 810 2HAD HEC 201 2HAD HEC 201 3.205 6.932 4.426 811 1HBD HEC 201 1HBD HEC 201 3.189 5.072 5.926 812 2HBD HEC 201 2HBD HEC 201 4.533 5.730 6.860 813 HHA HEC 202 HHA HEC 202 1.702 7.711 -9.514 814 HHB HEC 202 HHB HEC 202 2.863 4.142 -4.830 815 HHC HEC 202 HHC HEC 202 4.596 8.977 -1.236 816 HHD HEC 202 HHD HEC 202 2.778 12.945 -5.723 817 1HMA HEC 202 1HMA HEC 202 0.513 3.272 -7.608 818 2HMA HEC 202 2HMA HEC 202 0.983 3.264 -5.908 819 3HMA HEC 202 3HMA HEC 202 2.166 2.860 -7.153 820 1HAA HEC 202 1HAA HEC 202 1.288 5.307 -10.052 821 2HAA HEC 202 2HAA HEC 202 0.139 4.444 -9.071 822 1HBA HEC 202 1HBA HEC 202 -1.240 6.411 -8.838 823 2HBA HEC 202 2HBA HEC 202 -0.045 7.397 -9.672 824 1HMB HEC 202 1HMB HEC 202 2.883 3.690 -1.943 825 2HMB HEC 202 2HMB HEC 202 4.036 3.336 -3.229 826 3HMB HEC 202 3HMB HEC 202 4.615 3.726 -1.610 827 HAB HEC 202 HAB HEC 202 4.387 7.058 0.094 828 1HBB HEC 202 1HBB HEC 202 6.700 6.221 -1.358 829 2HBB HEC 202 2HBB HEC 202 6.483 5.116 -0.002 830 3HBB HEC 202 3HBB HEC 202 6.621 6.849 0.288 831 1HMC HEC 202 1HMC HEC 202 5.473 12.687 -1.378 832 2HMC HEC 202 2HMC HEC 202 4.045 12.104 -0.522 833 3HMC HEC 202 3HMC HEC 202 5.407 11.020 -0.807 834 HAC HEC 202 HAC HEC 202 2.317 13.832 -3.544 835 1HBC HEC 202 1HBC HEC 202 3.476 15.422 -2.248 836 2HBC HEC 202 2HBC HEC 202 5.023 14.603 -2.463 837 3HBC HEC 202 3HBC HEC 202 3.796 13.907 -1.406 838 1HMD HEC 202 1HMD HEC 202 2.814 13.590 -8.212 839 2HMD HEC 202 2HMD HEC 202 1.067 13.395 -8.350 840 3HMD HEC 202 3HMD HEC 202 2.106 13.028 -9.728 841 1HAD HEC 202 1HAD HEC 202 1.918 9.307 -10.744 842 2HAD HEC 202 2HAD HEC 202 1.106 10.861 -10.848 843 1HBD HEC 202 1HBD HEC 202 3.551 11.807 -10.528 844 2HBD HEC 202 2HBD HEC 202 4.013 10.215 -11.131 845 HHA HEC 203 HHA HEC 203 6.995 -6.892 4.728 846 HHB HEC 203 HHB HEC 203 2.723 -2.028 4.930 847 HHC HEC 203 HHC HEC 203 4.754 -0.005 -0.452 848 HHD HEC 203 HHD HEC 203 8.979 -4.619 -0.827 849 1HMA HEC 203 1HMA HEC 203 3.405 -3.299 7.603 850 2HMA HEC 203 2HMA HEC 203 2.983 -5.012 7.577 851 3HMA HEC 203 3HMA HEC 203 2.109 -3.873 6.553 852 1HAA HEC 203 1HAA HEC 203 4.735 -6.072 7.790 853 2HAA HEC 203 2HAA HEC 203 4.531 -7.301 6.550 854 1HBA HEC 203 1HBA HEC 203 6.758 -7.760 6.457 855 2HBA HEC 203 2HBA HEC 203 7.214 -6.065 6.642 856 1HMB HEC 203 1HMB HEC 203 1.232 -0.312 4.096 857 2HMB HEC 203 2HMB HEC 203 2.546 0.435 5.006 858 3HMB HEC 203 3HMB HEC 203 1.844 1.272 3.620 859 HAB HEC 203 HAB HEC 203 2.852 0.927 0.138 860 1HBB HEC 203 1HBB HEC 203 3.568 3.353 0.922 861 2HBB HEC 203 2HBB HEC 203 4.762 2.258 0.225 862 3HBB HEC 203 3HBB HEC 203 4.666 2.457 1.975 863 1HMC HEC 203 1HMC HEC 203 7.344 0.126 -2.702 864 2HMC HEC 203 2HMC HEC 203 6.148 -0.893 -3.502 865 3HMC HEC 203 3HMC HEC 203 5.651 0.205 -2.213 866 HAC HEC 203 HAC HEC 203 9.193 -3.605 -2.485 867 1HBC HEC 203 1HBC HEC 203 8.458 -1.418 -4.322 868 2HBC HEC 203 2HBC HEC 203 10.045 -1.875 -3.707 869 3HBC HEC 203 3HBC HEC 203 8.978 -0.865 -2.732 870 1HMD HEC 203 1HMD HEC 203 10.327 -6.156 -0.181 871 2HMD HEC 203 2HMD HEC 203 9.753 -7.805 0.066 872 3HMD HEC 203 3HMD HEC 203 10.837 -7.062 1.244 873 1HAD HEC 203 1HAD HEC 203 9.985 -7.894 3.405 874 2HAD HEC 203 2HAD HEC 203 8.430 -8.111 4.199 875 1HBD HEC 203 1HBD HEC 203 7.651 -9.583 2.485 876 2HBD HEC 203 2HBD HEC 203 8.999 -9.167 1.425 877 HHA HEC 204 HHA HEC 204 -6.829 2.290 3.940 878 HHB HEC 204 HHB HEC 204 -10.147 -2.193 1.054 879 HHC HEC 204 HHC HEC 204 -4.836 -5.767 0.900 880 HHD HEC 204 HHD HEC 204 -1.498 -0.913 2.674 881 1HMA HEC 204 1HMA HEC 204 -11.430 1.081 1.739 882 2HMA HEC 204 2HMA HEC 204 -11.708 0.059 3.151 883 3HMA HEC 204 3HMA HEC 204 -11.466 -0.674 1.565 884 1HAA HEC 204 1HAA HEC 204 -10.052 2.163 4.519 885 2HAA HEC 204 2HAA HEC 204 -8.550 2.922 4.003 886 1HBA HEC 204 1HBA HEC 204 -9.657 3.138 1.689 887 2HBA HEC 204 2HBA HEC 204 -11.164 2.758 2.517 888 1HMB HEC 204 1HMB HEC 204 -10.691 -4.000 0.040 889 2HMB HEC 204 2HMB HEC 204 -10.076 -5.550 -0.530 890 3HMB HEC 204 3HMB HEC 204 -9.924 -4.115 -1.544 891 HAB HEC 204 HAB HEC 204 -6.546 -6.841 0.169 892 1HBB HEC 204 1HBB HEC 204 -5.717 -6.161 -1.925 893 2HBB HEC 204 2HBB HEC 204 -7.299 -5.608 -2.476 894 3HBB HEC 204 3HBB HEC 204 -6.968 -7.335 -2.332 895 1HMC HEC 204 1HMC HEC 204 -1.466 -5.741 0.342 896 2HMC HEC 204 2HMC HEC 204 -1.785 -6.210 2.013 897 3HMC HEC 204 3HMC HEC 204 -3.034 -6.416 0.784 898 HAC HEC 204 HAC HEC 204 -0.479 -2.432 2.969 899 1HBC HEC 204 1HBC HEC 204 1.412 -3.111 1.625 900 2HBC HEC 204 2HBC HEC 204 0.198 -2.458 0.524 901 3HBC HEC 204 3HBC HEC 204 0.409 -4.203 0.669 902 1HMD HEC 204 1HMD HEC 204 -1.049 1.666 2.771 903 2HMD HEC 204 2HMD HEC 204 -1.145 1.030 4.413 904 3HMD HEC 204 3HMD HEC 204 -1.636 2.691 4.081 905 1HAD HEC 204 1HAD HEC 204 -3.767 3.963 3.581 906 2HAD HEC 204 2HAD HEC 204 -5.353 3.566 4.227 907 1HBD HEC 204 1HBD HEC 204 -4.262 2.700 6.286 908 2HBD HEC 204 2HBD HEC 204 -2.703 3.206 5.639 Start of MODEL 10 1 1H ALA 1 1H ALA 1 18.840 14.909 1.144 2 2H ALA 1 2H ALA 1 20.354 14.520 0.479 3 3H ALA 1 3H ALA 1 20.256 15.220 2.024 4 HA ALA 1 HA ALA 1 19.586 12.460 1.202 5 1HB ALA 1 1HB ALA 1 21.041 12.086 3.228 6 2HB ALA 1 2HB ALA 1 21.243 13.835 3.340 7 3HB ALA 1 3HB ALA 1 21.848 12.965 1.930 8 HA PRO 2 HA PRO 2 16.017 13.266 3.842 9 1HB PRO 2 1HB PRO 2 14.692 10.981 3.137 10 2HB PRO 2 2HB PRO 2 14.675 12.448 2.146 11 1HG PRO 2 1HG PRO 2 16.262 9.958 1.810 12 2HG PRO 2 2HG PRO 2 15.518 10.995 0.584 13 1HD PRO 2 1HD PRO 2 18.184 11.029 1.188 14 2HD PRO 2 2HD PRO 2 17.304 12.421 0.520 15 H LYS 3 H LYS 3 15.645 12.502 5.934 16 HA LYS 3 HA LYS 3 17.309 10.191 6.818 17 1HB LYS 3 1HB LYS 3 15.762 12.188 8.466 18 2HB LYS 3 2HB LYS 3 17.096 11.162 8.985 19 1HG LYS 3 1HG LYS 3 18.607 12.360 7.422 20 2HG LYS 3 2HG LYS 3 17.272 13.419 6.968 21 1HD LYS 3 1HD LYS 3 17.556 14.694 8.806 22 2HD LYS 3 2HD LYS 3 17.564 13.278 9.857 23 1HE LYS 3 1HE LYS 3 19.727 14.542 9.947 24 2HE LYS 3 2HE LYS 3 19.948 12.890 9.336 25 1HZ LYS 3 1HZ LYS 3 20.802 15.022 8.012 26 2HZ LYS 3 2HZ LYS 3 19.229 14.922 7.378 27 3HZ LYS 3 3HZ LYS 3 20.293 13.604 7.233 28 H ALA 4 H ALA 4 15.839 8.595 5.985 29 HA ALA 4 HA ALA 4 13.121 8.258 6.259 30 1HB ALA 4 1HB ALA 4 14.871 5.991 7.119 31 2HB ALA 4 2HB ALA 4 15.172 6.696 5.530 32 3HB ALA 4 3HB ALA 4 13.589 6.016 5.909 33 HA PRO 5 HA PRO 5 12.448 8.380 10.609 34 1HB PRO 5 1HB PRO 5 9.820 7.606 10.580 35 2HB PRO 5 2HB PRO 5 10.371 9.228 10.126 36 1HG PRO 5 1HG PRO 5 9.406 7.033 8.421 37 2HG PRO 5 2HG PRO 5 9.432 8.773 8.127 38 1HD PRO 5 1HD PRO 5 11.223 6.850 7.083 39 2HD PRO 5 2HD PRO 5 11.349 8.615 6.955 40 H ALA 6 H ALA 6 11.811 6.892 12.386 41 HA ALA 6 HA ALA 6 13.005 4.343 12.210 42 1HB ALA 6 1HB ALA 6 11.145 5.788 14.054 43 2HB ALA 6 2HB ALA 6 12.770 5.176 14.361 44 3HB ALA 6 3HB ALA 6 11.401 4.063 14.324 45 H ASP 7 H ASP 7 11.633 2.311 12.856 46 HA ASP 7 HA ASP 7 9.661 1.869 10.710 47 1HB ASP 7 1HB ASP 7 10.666 -0.047 12.824 48 2HB ASP 7 2HB ASP 7 10.077 -0.424 11.209 49 H GLY 8 H GLY 8 7.603 0.766 11.295 50 1HA GLY 8 1HA GLY 8 5.824 0.255 12.831 51 2HA GLY 8 2HA GLY 8 6.675 1.165 14.077 52 H LEU 9 H LEU 9 6.430 2.663 10.973 53 HA LEU 9 HA LEU 9 5.115 4.990 11.937 54 1HB LEU 9 1HB LEU 9 6.174 3.942 9.512 55 2HB LEU 9 2HB LEU 9 4.531 4.474 9.156 56 HG LEU 9 HG LEU 9 6.167 6.313 10.820 57 1HD1 LEU 9 1HD1 LEU 9 7.330 5.217 8.526 58 2HD1 LEU 9 2HD1 LEU 9 7.808 6.717 9.323 59 3HD1 LEU 9 3HD1 LEU 9 6.662 6.757 7.982 60 1HD2 LEU 9 1HD2 LEU 9 5.086 7.803 8.851 61 2HD2 LEU 9 2HD2 LEU 9 4.160 7.314 10.273 62 3HD2 LEU 9 3HD2 LEU 9 4.000 6.412 8.767 63 H LYS 10 H LYS 10 2.907 5.483 10.392 64 HA LYS 10 HA LYS 10 1.038 3.227 10.528 65 1HB LYS 10 1HB LYS 10 1.226 5.386 12.572 66 2HB LYS 10 2HB LYS 10 -0.387 4.846 12.099 67 1HG LYS 10 1HG LYS 10 0.514 2.454 12.442 68 2HG LYS 10 2HG LYS 10 1.847 3.222 13.307 69 1HD LYS 10 1HD LYS 10 -0.035 4.466 14.618 70 2HD LYS 10 2HD LYS 10 -1.080 3.180 14.012 71 1HE LYS 10 1HE LYS 10 0.128 1.495 15.157 72 2HE LYS 10 2HE LYS 10 1.536 2.550 15.397 73 1HZ LYS 10 1HZ LYS 10 -1.013 3.531 16.403 74 2HZ LYS 10 2HZ LYS 10 0.543 3.667 17.072 75 3HZ LYS 10 3HZ LYS 10 -0.338 2.225 17.249 76 H MET 11 H MET 11 0.185 3.542 8.545 77 HA MET 11 HA MET 11 -0.428 6.234 7.503 78 1HB MET 11 1HB MET 11 -0.322 3.401 6.576 79 2HB MET 11 2HB MET 11 -1.468 4.447 5.738 80 1HG MET 11 1HG MET 11 0.350 6.068 5.295 81 2HG MET 11 2HG MET 11 1.488 4.994 6.108 82 1HE MET 11 1HE MET 11 -0.641 5.176 2.406 83 2HE MET 11 2HE MET 11 1.054 5.525 2.074 84 3HE MET 11 3HE MET 11 0.232 6.357 3.393 85 H ASP 12 H ASP 12 -2.059 6.899 9.045 86 HA ASP 12 HA ASP 12 -4.516 5.198 9.162 87 1HB ASP 12 1HB ASP 12 -4.996 6.897 11.051 88 2HB ASP 12 2HB ASP 12 -3.692 5.743 11.297 89 H LYS 13 H LYS 13 -3.555 7.351 7.054 90 HA LYS 13 HA LYS 13 -5.241 9.586 7.040 91 1HB LYS 13 1HB LYS 13 -4.155 7.742 4.919 92 2HB LYS 13 2HB LYS 13 -5.084 9.176 4.487 93 1HG LYS 13 1HG LYS 13 -2.616 9.182 6.249 94 2HG LYS 13 2HG LYS 13 -2.626 9.612 4.539 95 1HD LYS 13 1HD LYS 13 -4.635 11.200 5.436 96 2HD LYS 13 2HD LYS 13 -3.619 11.142 6.876 97 1HE LYS 13 1HE LYS 13 -1.670 11.602 5.126 98 2HE LYS 13 2HE LYS 13 -3.003 12.288 4.176 99 1HZ LYS 13 1HZ LYS 13 -3.654 13.317 6.459 100 2HZ LYS 13 2HZ LYS 13 -2.459 14.061 5.508 101 3HZ LYS 13 3HZ LYS 13 -2.014 13.087 6.827 102 H THR 14 H THR 14 -6.013 6.226 6.273 103 HA THR 14 HA THR 14 -8.855 7.024 5.740 104 HB THR 14 HB THR 14 -8.863 4.637 4.744 105 HG1 THR 14 1HG THR 14 -6.099 5.067 4.579 106 1HG2 THR 14 1HG2 THR 14 -8.910 6.574 3.314 107 2HG2 THR 14 2HG2 THR 14 -7.690 5.473 2.673 108 3HG2 THR 14 3HG2 THR 14 -7.199 6.890 3.603 109 H LYS 15 H LYS 15 -10.398 5.111 6.406 110 HA LYS 15 HA LYS 15 -10.374 4.857 9.249 111 1HB LYS 15 1HB LYS 15 -11.897 3.882 6.911 112 2HB LYS 15 2HB LYS 15 -12.011 2.852 8.338 113 1HG LYS 15 1HG LYS 15 -13.463 4.298 9.261 114 2HG LYS 15 2HG LYS 15 -12.229 5.557 9.212 115 1HD LYS 15 1HD LYS 15 -12.904 6.268 7.030 116 2HD LYS 15 2HD LYS 15 -13.923 4.845 6.809 117 1HE LYS 15 1HE LYS 15 -15.274 5.661 8.829 118 2HE LYS 15 2HE LYS 15 -14.396 7.195 8.663 119 1HZ LYS 15 1HZ LYS 15 -15.039 7.214 6.299 120 2HZ LYS 15 2HZ LYS 15 -16.385 7.287 7.335 121 3HZ LYS 15 3HZ LYS 15 -15.986 5.831 6.555 122 H GLN 16 H GLN 16 -8.897 2.926 6.741 123 HA GLN 16 HA GLN 16 -8.305 0.738 8.688 124 1HB GLN 16 1HB GLN 16 -8.174 1.024 5.674 125 2HB GLN 16 2HB GLN 16 -7.570 -0.398 6.525 126 1HG GLN 16 1HG GLN 16 -10.040 -0.146 7.653 127 2HG GLN 16 2HG GLN 16 -10.357 0.455 6.025 128 1HE2 GLN 16 2HE2 GLN 16 -8.062 -2.108 7.089 129 2HE2 GLN 16 1HE2 GLN 16 -8.754 -3.331 6.136 130 HA PRO 17 HA PRO 17 -4.465 3.312 8.544 131 1HB PRO 17 1HB PRO 17 -3.811 2.864 11.170 132 2HB PRO 17 2HB PRO 17 -4.886 4.174 10.640 133 1HG PRO 17 1HG PRO 17 -5.579 1.492 11.751 134 2HG PRO 17 2HG PRO 17 -6.295 3.074 12.102 135 1HD PRO 17 1HD PRO 17 -7.479 1.306 10.449 136 2HD PRO 17 2HD PRO 17 -7.592 3.063 10.193 137 H VAL 18 H VAL 18 -2.375 2.501 8.266 138 HA VAL 18 HA VAL 18 -1.888 -0.359 8.987 139 HB VAL 18 HB VAL 18 -1.581 1.137 6.379 140 1HG1 VAL 18 1HG1 VAL 18 -0.272 -0.708 5.518 141 2HG1 VAL 18 2HG1 VAL 18 -0.409 -1.573 7.049 142 3HG1 VAL 18 3HG1 VAL 18 0.528 -0.082 6.959 143 1HG2 VAL 18 1HG2 VAL 18 -2.595 -1.324 5.818 144 2HG2 VAL 18 2HG2 VAL 18 -3.600 0.076 6.193 145 3HG2 VAL 18 3HG2 VAL 18 -3.213 -1.095 7.453 146 H VAL 19 H VAL 19 0.167 -0.713 9.810 147 HA VAL 19 HA VAL 19 1.897 1.641 10.254 148 HB VAL 19 HB VAL 19 1.991 -1.267 11.122 149 1HG1 VAL 19 1HG1 VAL 19 3.919 -0.848 12.284 150 2HG1 VAL 19 2HG1 VAL 19 3.487 0.834 12.595 151 3HG1 VAL 19 3HG1 VAL 19 4.149 0.368 11.027 152 1HG2 VAL 19 1HG2 VAL 19 1.541 0.928 13.059 153 2HG2 VAL 19 2HG2 VAL 19 0.761 -0.651 12.945 154 3HG2 VAL 19 3HG2 VAL 19 0.235 0.670 11.903 155 H PHE 20 H PHE 20 3.629 2.074 8.919 156 HA PHE 20 HA PHE 20 4.538 -0.103 7.078 157 1HB PHE 20 1HB PHE 20 3.698 1.909 5.996 158 2HB PHE 20 2HB PHE 20 4.752 2.927 6.975 159 HD1 PHE 20 HD1 PHE 20 4.920 -0.012 4.665 160 HD2 PHE 20 HD2 PHE 20 6.851 3.541 6.095 161 HE1 PHE 20 HE1 PHE 20 6.729 -0.324 3.002 162 HE2 PHE 20 HE2 PHE 20 8.658 3.229 4.434 163 HZ PHE 20 HZ PHE 20 8.601 1.296 2.888 164 H ASN 21 H ASN 21 6.342 -1.115 7.875 165 HA ASN 21 HA ASN 21 8.209 0.299 9.660 166 1HB ASN 21 1HB ASN 21 7.320 -2.372 9.028 167 2HB ASN 21 2HB ASN 21 9.072 -2.290 8.925 168 1HD2 ASN 21 2HD2 ASN 21 6.504 -1.023 11.126 169 2HD2 ASN 21 1HD2 ASN 21 7.349 -1.388 12.553 170 H HIS 22 H HIS 22 9.420 1.753 8.348 171 HA HIS 22 HA HIS 22 10.304 1.431 5.715 172 1HB HIS 22 1HB HIS 22 11.294 2.804 8.180 173 2HB HIS 22 2HB HIS 22 12.368 2.757 6.784 174 HD1 HIS 22 HD1 HIS 22 9.545 4.585 8.167 175 HD2 HIS 22 HD2 HIS 22 10.988 3.842 4.322 176 HE1 HIS 22 HE1 HIS 22 8.552 6.367 6.672 177 H SER 23 H SER 23 11.669 0.060 8.692 178 HA SER 23 HA SER 23 14.146 -0.904 7.809 179 1HB SER 23 1HB SER 23 13.666 -2.748 9.483 180 2HB SER 23 2HB SER 23 13.377 -1.122 10.093 181 HG SER 23 HG SER 23 11.185 -1.412 9.717 182 H THR 24 H THR 24 10.929 -2.402 7.392 183 HA THR 24 HA THR 24 11.884 -4.723 5.958 184 HB THR 24 HB THR 24 9.199 -3.972 5.260 185 HG1 THR 24 1HG THR 24 8.389 -3.394 7.190 186 1HG2 THR 24 1HG2 THR 24 10.663 -6.147 6.398 187 2HG2 THR 24 2HG2 THR 24 9.034 -6.162 5.721 188 3HG2 THR 24 3HG2 THR 24 9.275 -5.816 7.434 189 H HIS 25 H HIS 25 11.659 -1.445 5.110 190 HA HIS 25 HA HIS 25 11.616 -2.115 2.199 191 1HB HIS 25 1HB HIS 25 10.745 0.373 3.699 192 2HB HIS 25 2HB HIS 25 10.556 0.082 1.972 193 HD1 HIS 25 HD1 HIS 25 9.275 -1.049 5.319 194 HD2 HIS 25 HD2 HIS 25 8.497 -1.750 1.284 195 HE1 HIS 25 HE1 HIS 25 7.129 -2.392 5.226 196 H LYS 26 H LYS 26 13.553 -1.016 4.748 197 HA LYS 26 HA LYS 26 15.092 1.093 3.720 198 1HB LYS 26 1HB LYS 26 16.780 0.287 5.243 199 2HB LYS 26 2HB LYS 26 15.221 -0.122 5.960 200 1HG LYS 26 1HG LYS 26 15.393 -2.403 4.998 201 2HG LYS 26 2HG LYS 26 16.978 -1.990 4.343 202 1HD LYS 26 1HD LYS 26 16.414 -1.635 7.278 203 2HD LYS 26 2HD LYS 26 16.860 -3.220 6.642 204 1HE LYS 26 1HE LYS 26 18.632 -1.230 5.536 205 2HE LYS 26 2HE LYS 26 18.621 -1.103 7.306 206 1HZ LYS 26 1HZ LYS 26 18.972 -3.599 5.729 207 2HZ LYS 26 2HZ LYS 26 18.865 -3.523 7.423 208 3HZ LYS 26 3HZ LYS 26 20.178 -2.805 6.618 209 H ALA 27 H ALA 27 14.902 -2.229 2.679 210 HA ALA 27 HA ALA 27 17.337 -2.013 0.997 211 1HB ALA 27 1HB ALA 27 15.588 -4.365 0.746 212 2HB ALA 27 2HB ALA 27 16.077 -4.035 2.408 213 3HB ALA 27 3HB ALA 27 17.299 -4.284 1.162 214 H VAL 28 H VAL 28 14.101 -1.162 0.775 215 HA VAL 28 HA VAL 28 13.642 -1.923 -2.021 216 HB VAL 28 HB VAL 28 12.237 -0.258 0.068 217 1HG1 VAL 28 1HG1 VAL 28 11.784 0.805 -2.081 218 2HG1 VAL 28 2HG1 VAL 28 10.353 -0.065 -1.533 219 3HG1 VAL 28 3HG1 VAL 28 11.377 -0.758 -2.791 220 1HG2 VAL 28 1HG2 VAL 28 12.289 -2.861 -0.003 221 2HG2 VAL 28 2HG2 VAL 28 11.194 -2.684 -1.375 222 3HG2 VAL 28 3HG2 VAL 28 10.732 -2.059 0.209 223 H LYS 29 H LYS 29 12.897 0.083 -3.462 224 HA LYS 29 HA LYS 29 15.232 1.896 -3.504 225 1HB LYS 29 1HB LYS 29 13.379 0.726 -5.372 226 2HB LYS 29 2HB LYS 29 13.408 2.480 -5.563 227 1HG LYS 29 1HG LYS 29 15.228 2.013 -6.867 228 2HG LYS 29 2HG LYS 29 16.046 2.035 -5.303 229 1HD LYS 29 1HD LYS 29 14.949 -0.562 -5.602 230 2HD LYS 29 2HD LYS 29 15.734 -0.168 -7.132 231 1HE LYS 29 1HE LYS 29 17.774 0.544 -5.806 232 2HE LYS 29 2HE LYS 29 16.986 -0.137 -4.368 233 1HZ LYS 29 1HZ LYS 29 18.364 -1.801 -5.470 234 2HZ LYS 29 2HZ LYS 29 17.494 -1.587 -6.914 235 3HZ LYS 29 3HZ LYS 29 16.725 -2.232 -5.543 236 H CYS 30 H CYS 30 14.958 3.524 -2.082 237 HA CYS 30 HA CYS 30 12.652 4.727 -1.076 238 1HB CYS 30 1HB CYS 30 15.384 5.789 -1.813 239 2HB CYS 30 2HB CYS 30 14.183 6.833 -1.057 240 H GLY 31 H GLY 31 13.997 4.947 -4.285 241 1HA GLY 31 1HA GLY 31 12.308 7.245 -5.033 242 2HA GLY 31 2HA GLY 31 13.431 6.396 -6.098 243 H ASP 32 H ASP 32 12.004 3.843 -4.856 244 HA ASP 32 HA ASP 32 10.127 3.562 -7.089 245 1HB ASP 32 1HB ASP 32 11.687 1.923 -5.438 246 2HB ASP 32 2HB ASP 32 10.031 1.532 -4.993 247 H CYS 33 H CYS 33 9.990 3.985 -3.573 248 HA CYS 33 HA CYS 33 7.027 3.982 -3.556 249 1HB CYS 33 1HB CYS 33 9.273 4.260 -1.545 250 2HB CYS 33 2HB CYS 33 7.607 4.608 -1.085 251 H HIS 34 H HIS 34 9.639 6.239 -2.580 252 HA HIS 34 HA HIS 34 7.837 8.568 -2.884 253 1HB HIS 34 1HB HIS 34 10.737 8.176 -2.058 254 2HB HIS 34 2HB HIS 34 9.938 9.741 -2.091 255 HD1 HIS 34 HD1 HIS 34 7.490 9.642 -0.643 256 HD2 HIS 34 HD2 HIS 34 10.553 7.028 0.431 257 HE1 HIS 34 HE1 HIS 34 7.021 8.922 1.741 258 H HIS 35 H HIS 35 8.213 7.216 -5.324 259 HA HIS 35 HA HIS 35 10.266 7.630 -7.037 260 1HB HIS 35 1HB HIS 35 8.437 8.254 -8.742 261 2HB HIS 35 2HB HIS 35 8.230 6.751 -7.864 262 HD1 HIS 35 HD1 HIS 35 7.002 10.255 -8.004 263 HD2 HIS 35 HD2 HIS 35 5.980 6.686 -6.136 264 HE1 HIS 35 HE1 HIS 35 4.729 10.634 -6.961 265 HA PRO 36 HA PRO 36 11.460 11.791 -7.307 266 1HB PRO 36 1HB PRO 36 11.987 12.050 -9.988 267 2HB PRO 36 2HB PRO 36 13.036 11.161 -8.866 268 1HG PRO 36 1HG PRO 36 10.962 10.117 -10.741 269 2HG PRO 36 2HG PRO 36 12.583 9.490 -10.392 270 1HD PRO 36 1HD PRO 36 10.369 8.396 -9.315 271 2HD PRO 36 2HD PRO 36 11.912 8.466 -8.433 272 H VAL 37 H VAL 37 9.651 13.036 -6.830 273 HA VAL 37 HA VAL 37 7.735 13.657 -9.037 274 HB VAL 37 HB VAL 37 7.715 13.807 -6.023 275 1HG1 VAL 37 1HG1 VAL 37 6.704 15.869 -6.495 276 2HG1 VAL 37 2HG1 VAL 37 5.322 14.772 -6.459 277 3HG1 VAL 37 3HG1 VAL 37 6.001 15.287 -8.004 278 1HG2 VAL 37 1HG2 VAL 37 5.413 12.654 -6.666 279 2HG2 VAL 37 2HG2 VAL 37 6.910 11.722 -6.664 280 3HG2 VAL 37 3HG2 VAL 37 6.252 12.329 -8.183 281 H ASN 38 H ASN 38 7.251 15.947 -9.414 282 HA ASN 38 HA ASN 38 8.000 18.169 -9.812 283 1HB ASN 38 1HB ASN 38 7.318 17.877 -7.343 284 2HB ASN 38 2HB ASN 38 9.031 17.877 -6.997 285 1HD2 ASN 38 2HD2 ASN 38 6.527 19.963 -6.906 286 2HD2 ASN 38 1HD2 ASN 38 7.309 21.407 -7.335 287 H GLY 39 H GLY 39 10.026 15.856 -10.192 288 1HA GLY 39 1HA GLY 39 12.231 15.984 -11.094 289 2HA GLY 39 2HA GLY 39 12.393 17.599 -10.400 290 H LYS 40 H LYS 40 11.109 16.040 -7.900 291 HA LYS 40 HA LYS 40 13.657 14.753 -6.987 292 1HB LYS 40 1HB LYS 40 13.370 16.103 -4.852 293 2HB LYS 40 2HB LYS 40 13.801 17.053 -6.276 294 1HG LYS 40 1HG LYS 40 11.799 18.133 -6.316 295 2HG LYS 40 2HG LYS 40 10.900 16.678 -5.885 296 1HD LYS 40 1HD LYS 40 10.621 17.880 -3.933 297 2HD LYS 40 2HD LYS 40 12.131 17.052 -3.547 298 1HE LYS 40 1HE LYS 40 13.431 18.972 -3.912 299 2HE LYS 40 2HE LYS 40 12.198 19.725 -4.944 300 1HZ LYS 40 1HZ LYS 40 12.349 20.550 -2.556 301 2HZ LYS 40 2HZ LYS 40 11.665 19.059 -2.111 302 3HZ LYS 40 3HZ LYS 40 10.809 20.121 -3.124 303 H GLU 41 H GLU 41 13.281 12.976 -5.650 304 HA GLU 41 HA GLU 41 10.655 11.840 -5.465 305 1HB GLU 41 1HB GLU 41 13.297 11.353 -4.079 306 2HB GLU 41 2HB GLU 41 11.879 10.363 -3.746 307 1HG GLU 41 1HG GLU 41 11.798 9.532 -5.953 308 2HG GLU 41 2HG GLU 41 12.821 10.825 -6.576 309 H ASP 42 H ASP 42 9.051 12.818 -4.241 310 HA ASP 42 HA ASP 42 9.555 14.520 -1.981 311 1HB ASP 42 1HB ASP 42 7.169 12.972 -2.998 312 2HB ASP 42 2HB ASP 42 7.077 14.027 -1.590 313 H TYR 43 H TYR 43 10.781 13.546 -0.381 314 HA TYR 43 HA TYR 43 10.263 10.805 0.512 315 1HB TYR 43 1HB TYR 43 12.037 13.052 1.522 316 2HB TYR 43 2HB TYR 43 12.100 11.391 2.110 317 HD1 TYR 43 HD1 TYR 43 12.404 9.528 0.285 318 HD2 TYR 43 HD2 TYR 43 13.344 13.677 -0.318 319 HE1 TYR 43 HE1 TYR 43 13.887 8.918 -1.607 320 HE2 TYR 43 HE2 TYR 43 14.827 13.066 -2.210 321 HH TYR 43 HH TYR 43 15.676 11.417 -3.420 322 H GLN 44 H GLN 44 7.865 11.831 0.905 323 HA GLN 44 HA GLN 44 7.731 12.391 3.842 324 1HB GLN 44 1HB GLN 44 5.911 14.049 3.259 325 2HB GLN 44 2HB GLN 44 7.516 14.516 2.698 326 1HG GLN 44 1HG GLN 44 6.678 13.092 0.553 327 2HG GLN 44 2HG GLN 44 5.128 13.701 1.135 328 1HE2 GLN 44 2HE2 GLN 44 8.473 14.966 0.589 329 2HE2 GLN 44 1HE2 GLN 44 7.958 16.459 -0.035 330 H LYS 45 H LYS 45 5.363 12.087 4.597 331 HA LYS 45 HA LYS 45 4.458 9.495 4.272 332 1HB LYS 45 1HB LYS 45 3.223 12.119 4.970 333 2HB LYS 45 2HB LYS 45 2.139 10.748 4.730 334 1HG LYS 45 1HG LYS 45 3.325 9.447 6.401 335 2HG LYS 45 2HG LYS 45 4.546 10.708 6.568 336 1HD LYS 45 1HD LYS 45 1.861 11.773 6.927 337 2HD LYS 45 2HD LYS 45 2.201 10.474 8.070 338 1HE LYS 45 1HE LYS 45 4.333 11.621 8.697 339 2HE LYS 45 2HE LYS 45 3.888 12.963 7.625 340 1HZ LYS 45 1HZ LYS 45 3.100 13.441 9.833 341 2HZ LYS 45 2HZ LYS 45 2.311 11.939 9.927 342 3HZ LYS 45 3HZ LYS 45 1.765 13.123 8.837 343 H CYS 46 H CYS 46 3.356 8.370 2.722 344 HA CYS 46 HA CYS 46 3.201 9.130 0.041 345 1HB CYS 46 1HB CYS 46 1.423 7.278 1.650 346 2HB CYS 46 2HB CYS 46 1.587 7.242 -0.102 347 H ALA 47 H ALA 47 0.679 9.454 2.530 348 HA ALA 47 HA ALA 47 -1.070 10.894 0.601 349 1HB ALA 47 1HB ALA 47 -2.277 10.725 3.112 350 2HB ALA 47 2HB ALA 47 -1.322 9.249 2.986 351 3HB ALA 47 3HB ALA 47 -2.533 9.625 1.760 352 H THR 48 H THR 48 1.067 12.486 1.089 353 HA THR 48 HA THR 48 1.147 14.102 3.375 354 HB THR 48 HB THR 48 1.470 15.402 0.720 355 HG1 THR 48 1HG THR 48 3.388 14.096 0.422 356 1HG2 THR 48 1HG2 THR 48 3.797 15.102 2.445 357 2HG2 THR 48 2HG2 THR 48 2.417 15.770 3.316 358 3HG2 THR 48 3HG2 THR 48 3.018 16.573 1.865 359 H ALA 49 H ALA 49 0.549 16.639 2.986 360 HA ALA 49 HA ALA 49 -2.360 16.751 3.109 361 1HB ALA 49 1HB ALA 49 -1.915 19.106 3.601 362 2HB ALA 49 2HB ALA 49 -0.265 18.939 3.004 363 3HB ALA 49 3HB ALA 49 -0.760 18.100 4.473 364 H GLY 50 H GLY 50 -2.124 15.783 0.711 365 1HA GLY 50 1HA GLY 50 -3.479 17.097 -1.166 366 2HA GLY 50 2HA GLY 50 -1.943 17.958 -1.305 367 H CYS 51 H CYS 51 -0.877 15.154 -0.341 368 HA CYS 51 HA CYS 51 -0.093 14.218 -2.977 369 1HB CYS 51 1HB CYS 51 0.565 14.059 -0.157 370 2HB CYS 51 2HB CYS 51 0.672 12.486 -0.883 371 H HIS 52 H HIS 52 -0.364 11.381 -1.378 372 HA HIS 52 HA HIS 52 -2.756 10.558 -2.844 373 1HB HIS 52 1HB HIS 52 -0.816 9.256 -0.928 374 2HB HIS 52 2HB HIS 52 -2.176 8.381 -1.602 375 HD1 HIS 52 HD1 HIS 52 -2.266 8.712 -4.365 376 HD2 HIS 52 HD2 HIS 52 1.431 8.958 -2.494 377 HE1 HIS 52 HE1 HIS 52 -0.529 8.297 -6.170 378 H ASP 53 H ASP 53 -3.580 12.560 -1.140 379 HA ASP 53 HA ASP 53 -4.608 11.290 1.341 380 1HB ASP 53 1HB ASP 53 -5.058 13.596 1.984 381 2HB ASP 53 2HB ASP 53 -3.432 13.507 1.305 382 H ASN 54 H ASN 54 -5.781 10.763 -1.486 383 HA ASN 54 HA ASN 54 -8.401 12.084 -1.391 384 1HB ASN 54 1HB ASN 54 -6.854 10.951 -3.326 385 2HB ASN 54 2HB ASN 54 -7.973 9.629 -3.003 386 1HD2 ASN 54 2HD2 ASN 54 -9.670 9.734 -4.474 387 2HD2 ASN 54 1HD2 ASN 54 -10.441 11.160 -4.977 388 H MET 55 H MET 55 -9.679 11.472 0.340 389 HA MET 55 HA MET 55 -9.591 8.784 1.473 390 1HB MET 55 1HB MET 55 -11.528 11.082 1.894 391 2HB MET 55 2HB MET 55 -11.242 9.737 2.997 392 1HG MET 55 1HG MET 55 -8.909 11.413 2.150 393 2HG MET 55 2HG MET 55 -10.014 12.056 3.363 394 1HE MET 55 1HE MET 55 -6.808 8.971 3.678 395 2HE MET 55 2HE MET 55 -7.291 10.026 2.352 396 3HE MET 55 3HE MET 55 -8.110 8.483 2.584 397 H ASP 56 H ASP 56 -10.797 9.669 -1.396 398 HA ASP 56 HA ASP 56 -13.520 8.606 -1.232 399 1HB ASP 56 1HB ASP 56 -12.083 10.253 -2.913 400 2HB ASP 56 2HB ASP 56 -12.168 8.759 -3.847 401 H LYS 57 H LYS 57 -10.417 7.231 -1.349 402 HA LYS 57 HA LYS 57 -9.630 5.077 -1.959 403 1HB LYS 57 1HB LYS 57 -10.961 4.710 0.065 404 2HB LYS 57 2HB LYS 57 -12.430 4.580 -0.899 405 1HG LYS 57 1HG LYS 57 -10.489 2.769 -1.972 406 2HG LYS 57 2HG LYS 57 -10.589 2.511 -0.230 407 1HD LYS 57 1HD LYS 57 -12.727 1.727 -0.336 408 2HD LYS 57 2HD LYS 57 -13.189 2.873 -1.593 409 1HE LYS 57 1HE LYS 57 -12.144 1.523 -3.312 410 2HE LYS 57 2HE LYS 57 -11.437 0.443 -2.094 411 1HZ LYS 57 1HZ LYS 57 -14.350 0.952 -2.341 412 2HZ LYS 57 2HZ LYS 57 -13.587 -0.218 -1.375 413 3HZ LYS 57 3HZ LYS 57 -13.573 -0.369 -3.066 414 H LYS 58 H LYS 58 -11.187 6.624 -4.063 415 HA LYS 58 HA LYS 58 -11.873 4.268 -5.778 416 1HB LYS 58 1HB LYS 58 -13.870 5.373 -6.493 417 2HB LYS 58 2HB LYS 58 -13.840 5.547 -4.738 418 1HG LYS 58 1HG LYS 58 -14.132 7.760 -5.151 419 2HG LYS 58 2HG LYS 58 -12.412 7.752 -5.545 420 1HD LYS 58 1HD LYS 58 -12.922 7.353 -7.904 421 2HD LYS 58 2HD LYS 58 -14.645 7.263 -7.538 422 1HE LYS 58 1HE LYS 58 -14.635 9.605 -6.784 423 2HE LYS 58 2HE LYS 58 -12.889 9.707 -7.091 424 1HZ LYS 58 1HZ LYS 58 -13.178 9.463 -9.354 425 2HZ LYS 58 2HZ LYS 58 -14.529 10.412 -8.948 426 3HZ LYS 58 3HZ LYS 58 -14.705 8.741 -9.200 427 H ASP 59 H ASP 59 -10.566 7.513 -5.485 428 HA ASP 59 HA ASP 59 -10.295 8.298 -8.174 429 1HB ASP 59 1HB ASP 59 -9.693 9.816 -6.462 430 2HB ASP 59 2HB ASP 59 -8.640 8.642 -5.673 431 H LYS 60 H LYS 60 -9.552 6.922 -9.764 432 HA LYS 60 HA LYS 60 -7.406 4.974 -9.196 433 1HB LYS 60 1HB LYS 60 -9.489 5.505 -11.212 434 2HB LYS 60 2HB LYS 60 -7.982 4.888 -11.892 435 1HG LYS 60 1HG LYS 60 -9.175 3.578 -9.462 436 2HG LYS 60 2HG LYS 60 -9.792 3.186 -11.068 437 1HD LYS 60 1HD LYS 60 -6.853 3.200 -10.890 438 2HD LYS 60 2HD LYS 60 -7.626 1.970 -9.891 439 1HE LYS 60 1HE LYS 60 -8.521 0.850 -11.721 440 2HE LYS 60 2HE LYS 60 -8.577 2.316 -12.719 441 1HZ LYS 60 1HZ LYS 60 -6.699 0.594 -13.116 442 2HZ LYS 60 2HZ LYS 60 -5.990 1.303 -11.744 443 3HZ LYS 60 3HZ LYS 60 -6.324 2.249 -13.116 444 H SER 61 H SER 61 -6.953 8.009 -9.266 445 HA SER 61 HA SER 61 -5.107 8.242 -11.591 446 1HB SER 61 1HB SER 61 -6.854 9.949 -10.121 447 2HB SER 61 2HB SER 61 -5.217 10.554 -9.889 448 HG SER 61 HG SER 61 -6.690 10.995 -11.937 449 H ALA 62 H ALA 62 -3.371 10.153 -10.319 450 HA ALA 62 HA ALA 62 -1.708 8.281 -8.698 451 1HB ALA 62 1HB ALA 62 -0.524 10.836 -9.422 452 2HB ALA 62 2HB ALA 62 -1.267 10.069 -10.825 453 3HB ALA 62 3HB ALA 62 -0.034 9.212 -9.902 454 H LYS 63 H LYS 63 -4.082 10.057 -7.735 455 HA LYS 63 HA LYS 63 -2.557 11.464 -5.559 456 1HB LYS 63 1HB LYS 63 -4.019 12.634 -7.522 457 2HB LYS 63 2HB LYS 63 -5.285 12.366 -6.321 458 1HG LYS 63 1HG LYS 63 -4.542 14.128 -5.140 459 2HG LYS 63 2HG LYS 63 -2.972 13.345 -4.957 460 1HD LYS 63 1HD LYS 63 -2.762 15.560 -6.050 461 2HD LYS 63 2HD LYS 63 -2.246 14.256 -7.121 462 1HE LYS 63 1HE LYS 63 -3.639 15.448 -8.564 463 2HE LYS 63 2HE LYS 63 -4.823 14.336 -7.849 464 1HZ LYS 63 1HZ LYS 63 -4.235 16.711 -6.292 465 2HZ LYS 63 2HZ LYS 63 -5.724 15.948 -6.589 466 3HZ LYS 63 3HZ LYS 63 -5.058 16.997 -7.747 467 H GLY 64 H GLY 64 -4.767 9.002 -6.289 468 1HA GLY 64 1HA GLY 64 -6.455 9.254 -3.949 469 2HA GLY 64 2HA GLY 64 -6.361 7.849 -5.001 470 H TYR 65 H TYR 65 -6.319 8.052 -2.048 471 HA TYR 65 HA TYR 65 -3.596 7.273 -1.250 472 1HB TYR 65 1HB TYR 65 -5.290 8.626 0.094 473 2HB TYR 65 2HB TYR 65 -6.190 7.121 0.296 474 HD1 TYR 65 HD1 TYR 65 -5.871 6.286 2.450 475 HD2 TYR 65 HD2 TYR 65 -2.524 7.919 0.312 476 HE1 TYR 65 HE1 TYR 65 -4.360 5.610 4.294 477 HE2 TYR 65 HE2 TYR 65 -1.013 7.245 2.159 478 HH TYR 65 HH TYR 65 -1.369 6.804 4.753 479 H TYR 66 H TYR 66 -6.500 5.706 -2.323 480 HA TYR 66 HA TYR 66 -5.656 3.096 -1.179 481 1HB TYR 66 1HB TYR 66 -7.932 3.474 -0.839 482 2HB TYR 66 2HB TYR 66 -8.114 4.337 -2.365 483 HD1 TYR 66 HD1 TYR 66 -7.785 2.974 -4.531 484 HD2 TYR 66 HD2 TYR 66 -8.542 1.216 -0.691 485 HE1 TYR 66 HE1 TYR 66 -8.552 0.886 -5.640 486 HE2 TYR 66 HE2 TYR 66 -9.303 -0.873 -1.791 487 HH TYR 66 HH TYR 66 -8.817 -2.001 -4.130 488 H HIS 67 H HIS 67 -6.193 4.716 -4.305 489 HA HIS 67 HA HIS 67 -5.842 2.487 -6.038 490 1HB HIS 67 1HB HIS 67 -6.629 4.523 -6.944 491 2HB HIS 67 2HB HIS 67 -5.329 5.455 -6.201 492 HD1 HIS 67 HD1 HIS 67 -5.867 2.857 -8.918 493 HD2 HIS 67 HD2 HIS 67 -3.060 5.730 -7.803 494 HE1 HIS 67 HE1 HIS 67 -4.111 2.887 -10.739 495 H ALA 68 H ALA 68 -3.345 4.994 -5.587 496 HA ALA 68 HA ALA 68 -1.148 3.650 -6.584 497 1HB ALA 68 1HB ALA 68 -0.472 5.717 -5.953 498 2HB ALA 68 2HB ALA 68 -0.172 5.017 -4.361 499 3HB ALA 68 3HB ALA 68 -1.711 5.813 -4.700 500 H MET 69 H MET 69 -2.817 2.902 -3.599 501 HA MET 69 HA MET 69 -0.545 1.320 -2.568 502 1HB MET 69 1HB MET 69 -3.338 1.904 -1.571 503 2HB MET 69 2HB MET 69 -2.108 1.036 -0.651 504 1HG MET 69 1HG MET 69 -1.053 3.513 -1.741 505 2HG MET 69 2HG MET 69 -2.462 3.809 -0.731 506 1HE MET 69 1HE MET 69 0.822 3.951 -1.000 507 2HE MET 69 2HE MET 69 1.588 3.667 0.561 508 3HE MET 69 3HE MET 69 0.428 4.979 0.385 509 H HIS 70 H HIS 70 -3.901 0.697 -3.674 510 HA HIS 70 HA HIS 70 -3.377 -2.207 -3.473 511 1HB HIS 70 1HB HIS 70 -5.827 -0.655 -4.355 512 2HB HIS 70 2HB HIS 70 -5.779 -2.357 -3.893 513 HD1 HIS 70 HD1 HIS 70 -6.046 1.043 -2.510 514 HD2 HIS 70 HD2 HIS 70 -5.172 -2.761 -1.051 515 HE1 HIS 70 HE1 HIS 70 -6.257 1.179 0.008 516 H ASP 71 H ASP 71 -3.439 0.304 -5.876 517 HA ASP 71 HA ASP 71 -3.919 -1.473 -8.150 518 1HB ASP 71 1HB ASP 71 -3.078 1.398 -7.727 519 2HB ASP 71 2HB ASP 71 -3.220 0.697 -9.333 520 H LYS 72 H LYS 72 -2.355 -2.741 -9.064 521 HA LYS 72 HA LYS 72 0.461 -2.431 -8.276 522 1HB LYS 72 1HB LYS 72 0.699 -4.571 -9.329 523 2HB LYS 72 2HB LYS 72 -0.876 -4.597 -8.536 524 1HG LYS 72 1HG LYS 72 -1.935 -3.937 -10.695 525 2HG LYS 72 2HG LYS 72 -0.354 -4.037 -11.470 526 1HD LYS 72 1HD LYS 72 -0.187 -6.416 -10.802 527 2HD LYS 72 2HD LYS 72 -1.790 -6.312 -10.072 528 1HE LYS 72 1HE LYS 72 -2.721 -5.661 -12.310 529 2HE LYS 72 2HE LYS 72 -1.115 -5.945 -13.011 530 1HZ LYS 72 1HZ LYS 72 -1.214 -8.176 -11.862 531 2HZ LYS 72 2HZ LYS 72 -2.244 -7.985 -13.199 532 3HZ LYS 72 3HZ LYS 72 -2.868 -7.889 -11.622 533 H GLY 73 H GLY 73 -1.441 -2.241 -11.287 534 1HA GLY 73 1HA GLY 73 0.838 -1.515 -12.926 535 2HA GLY 73 2HA GLY 73 -0.857 -1.364 -13.397 536 H THR 74 H THR 74 1.253 0.114 -10.915 537 HA THR 74 HA THR 74 -0.014 2.751 -11.530 538 HB THR 74 HB THR 74 1.181 3.194 -9.234 539 HG1 THR 74 1HG THR 74 2.276 1.068 -9.553 540 1HG2 THR 74 1HG2 THR 74 -1.218 1.410 -9.675 541 2HG2 THR 74 2HG2 THR 74 -1.198 3.134 -9.303 542 3HG2 THR 74 3HG2 THR 74 -0.744 1.959 -8.068 543 H LYS 75 H LYS 75 1.429 4.645 -11.534 544 HA LYS 75 HA LYS 75 3.562 4.713 -13.254 545 1HB LYS 75 1HB LYS 75 2.343 6.493 -11.680 546 2HB LYS 75 2HB LYS 75 3.776 6.253 -10.685 547 1HG LYS 75 1HG LYS 75 4.069 8.128 -12.283 548 2HG LYS 75 2HG LYS 75 5.220 6.827 -12.581 549 1HD LYS 75 1HD LYS 75 2.877 6.224 -14.074 550 2HD LYS 75 2HD LYS 75 3.264 7.919 -14.374 551 1HE LYS 75 1HE LYS 75 5.745 6.587 -14.436 552 2HE LYS 75 2HE LYS 75 4.630 5.557 -15.355 553 1HZ LYS 75 1HZ LYS 75 3.812 7.681 -16.403 554 2HZ LYS 75 2HZ LYS 75 5.373 7.191 -16.862 555 3HZ LYS 75 3HZ LYS 75 5.169 8.448 -15.736 556 H PHE 76 H PHE 76 3.682 3.776 -9.831 557 HA PHE 76 HA PHE 76 6.441 2.681 -10.283 558 1HB PHE 76 1HB PHE 76 5.380 4.116 -7.831 559 2HB PHE 76 2HB PHE 76 7.016 3.511 -8.055 560 HD1 PHE 76 HD1 PHE 76 8.451 4.510 -9.899 561 HD2 PHE 76 HD2 PHE 76 4.672 6.180 -8.724 562 HE1 PHE 76 HE1 PHE 76 9.032 6.636 -11.039 563 HE2 PHE 76 HE2 PHE 76 5.254 8.302 -9.861 564 HZ PHE 76 HZ PHE 76 7.428 8.524 -11.015 565 H LYS 77 H LYS 77 6.958 1.140 -8.278 566 HA LYS 77 HA LYS 77 4.841 -0.844 -8.206 567 1HB LYS 77 1HB LYS 77 6.401 -1.990 -6.675 568 2HB LYS 77 2HB LYS 77 7.218 -1.435 -8.133 569 1HG LYS 77 1HG LYS 77 7.913 0.625 -6.847 570 2HG LYS 77 2HG LYS 77 7.274 -0.146 -5.394 571 1HD LYS 77 1HD LYS 77 9.739 -0.514 -5.703 572 2HD LYS 77 2HD LYS 77 8.810 -2.011 -5.645 573 1HE LYS 77 1HE LYS 77 8.878 -2.240 -8.054 574 2HE LYS 77 2HE LYS 77 9.619 -0.638 -8.229 575 1HZ LYS 77 1HZ LYS 77 11.289 -1.661 -6.496 576 2HZ LYS 77 2HZ LYS 77 11.492 -1.913 -8.164 577 3HZ LYS 77 3HZ LYS 77 10.785 -3.120 -7.200 578 H SER 78 H SER 78 3.095 -0.508 -7.060 579 HA SER 78 HA SER 78 2.893 1.373 -4.853 580 1HB SER 78 1HB SER 78 0.531 0.214 -4.882 581 2HB SER 78 2HB SER 78 1.021 1.230 -6.235 582 HG SER 78 HG SER 78 0.836 -0.480 -7.427 583 H CYS 79 H CYS 79 1.621 0.556 -2.835 584 HA CYS 79 HA CYS 79 3.221 -1.190 -1.283 585 1HB CYS 79 1HB CYS 79 0.289 -0.437 -1.061 586 2HB CYS 79 2HB CYS 79 1.271 -1.075 0.255 587 H VAL 80 H VAL 80 -0.106 -1.876 -2.408 588 HA VAL 80 HA VAL 80 0.143 -4.739 -2.044 589 HB VAL 80 HB VAL 80 -1.759 -2.872 -3.462 590 1HG1 VAL 80 1HG1 VAL 80 -1.436 -5.720 -3.865 591 2HG1 VAL 80 2HG1 VAL 80 -2.531 -4.598 -4.676 592 3HG1 VAL 80 3HG1 VAL 80 -3.015 -5.365 -3.164 593 1HG2 VAL 80 1HG2 VAL 80 -2.454 -4.722 -1.201 594 2HG2 VAL 80 2HG2 VAL 80 -3.117 -3.134 -1.582 595 3HG2 VAL 80 3HG2 VAL 80 -1.522 -3.268 -0.845 596 H GLY 81 H GLY 81 0.741 -2.507 -4.700 597 1HA GLY 81 1HA GLY 81 0.863 -4.464 -6.809 598 2HA GLY 81 2HA GLY 81 1.587 -2.855 -6.864 599 H CYS 82 H CYS 82 3.297 -3.069 -4.623 600 HA CYS 82 HA CYS 82 5.498 -4.622 -5.783 601 1HB CYS 82 1HB CYS 82 5.465 -2.333 -4.496 602 2HB CYS 82 2HB CYS 82 5.438 -3.341 -3.051 603 H HIS 83 H HIS 83 3.046 -5.000 -3.393 604 HA HIS 83 HA HIS 83 4.305 -7.102 -1.840 605 1HB HIS 83 1HB HIS 83 1.665 -5.733 -2.125 606 2HB HIS 83 2HB HIS 83 1.694 -7.265 -1.269 607 HD1 HIS 83 HD1 HIS 83 1.234 -5.950 0.994 608 HD2 HIS 83 HD2 HIS 83 4.837 -5.001 -0.875 609 HE1 HIS 83 HE1 HIS 83 2.629 -4.729 2.713 610 H LEU 84 H LEU 84 1.446 -7.207 -4.041 611 HA LEU 84 HA LEU 84 1.237 -9.982 -4.322 612 1HB LEU 84 1HB LEU 84 0.221 -7.611 -5.430 613 2HB LEU 84 2HB LEU 84 0.842 -8.518 -6.803 614 HG LEU 84 HG LEU 84 -0.805 -9.916 -4.727 615 1HD1 LEU 84 1HD1 LEU 84 -2.842 -9.208 -5.632 616 2HD1 LEU 84 2HD1 LEU 84 -2.097 -8.666 -7.137 617 3HD1 LEU 84 3HD1 LEU 84 -1.896 -7.720 -5.662 618 1HD2 LEU 84 1HD2 LEU 84 -1.520 -11.005 -7.046 619 2HD2 LEU 84 2HD2 LEU 84 -0.009 -11.467 -6.264 620 3HD2 LEU 84 3HD2 LEU 84 0.005 -10.301 -7.587 621 H GLU 85 H GLU 85 3.675 -7.815 -5.547 622 HA GLU 85 HA GLU 85 4.695 -9.756 -7.534 623 1HB GLU 85 1HB GLU 85 4.595 -7.043 -7.397 624 2HB GLU 85 2HB GLU 85 6.217 -7.322 -6.762 625 1HG GLU 85 1HG GLU 85 5.835 -9.031 -9.027 626 2HG GLU 85 2HG GLU 85 5.367 -7.392 -9.483 627 H THR 86 H THR 86 5.727 -8.268 -4.449 628 HA THR 86 HA THR 86 8.232 -9.702 -4.286 629 HB THR 86 HB THR 86 6.465 -8.057 -2.503 630 HG1 THR 86 1HG THR 86 7.922 -6.927 -3.648 631 1HG2 THR 86 1HG2 THR 86 7.236 -10.008 -1.118 632 2HG2 THR 86 2HG2 THR 86 7.865 -8.456 -0.565 633 3HG2 THR 86 3HG2 THR 86 8.899 -9.550 -1.487 634 H ALA 87 H ALA 87 5.074 -10.807 -4.116 635 HA ALA 87 HA ALA 87 5.908 -13.185 -2.488 636 1HB ALA 87 1HB ALA 87 3.733 -13.154 -1.458 637 2HB ALA 87 2HB ALA 87 3.150 -11.932 -2.589 638 3HB ALA 87 3HB ALA 87 4.350 -11.505 -1.371 639 H GLY 88 H GLY 88 5.586 -12.451 -5.510 640 1HA GLY 88 1HA GLY 88 3.377 -13.976 -6.520 641 2HA GLY 88 2HA GLY 88 4.810 -13.527 -7.446 642 H ALA 89 H ALA 89 6.193 -14.979 -4.945 643 HA ALA 89 HA ALA 89 5.886 -17.737 -6.089 644 1HB ALA 89 1HB ALA 89 8.231 -17.934 -6.133 645 2HB ALA 89 2HB ALA 89 8.454 -16.628 -4.968 646 3HB ALA 89 3HB ALA 89 7.977 -16.260 -6.626 647 H ASP 90 H ASP 90 5.358 -15.898 -3.390 648 HA ASP 90 HA ASP 90 5.856 -18.220 -1.573 649 1HB ASP 90 1HB ASP 90 7.476 -16.426 -1.258 650 2HB ASP 90 2HB ASP 90 6.186 -15.245 -1.110 651 H ALA 91 H ALA 91 3.595 -18.737 -2.094 652 HA ALA 91 HA ALA 91 1.279 -17.286 -1.920 653 1HB ALA 91 1HB ALA 91 0.353 -19.390 -0.770 654 2HB ALA 91 2HB ALA 91 2.018 -19.972 -0.738 655 3HB ALA 91 3HB ALA 91 1.227 -19.647 -2.280 656 H ALA 92 H ALA 92 3.480 -17.920 0.731 657 HA ALA 92 HA ALA 92 1.632 -17.115 2.846 658 1HB ALA 92 1HB ALA 92 3.914 -18.559 2.740 659 2HB ALA 92 2HB ALA 92 3.391 -17.740 4.212 660 3HB ALA 92 3HB ALA 92 4.595 -16.989 3.165 661 H LYS 93 H LYS 93 4.281 -15.646 1.014 662 HA LYS 93 HA LYS 93 4.235 -13.095 2.355 663 1HB LYS 93 1HB LYS 93 5.380 -14.405 -0.035 664 2HB LYS 93 2HB LYS 93 5.224 -12.658 -0.162 665 1HG LYS 93 1HG LYS 93 6.278 -12.698 2.257 666 2HG LYS 93 2HG LYS 93 6.860 -14.284 1.751 667 1HD LYS 93 1HD LYS 93 7.219 -11.968 -0.116 668 2HD LYS 93 2HD LYS 93 8.298 -12.107 1.273 669 1HE LYS 93 1HE LYS 93 8.681 -14.545 0.537 670 2HE LYS 93 2HE LYS 93 7.922 -14.074 -0.996 671 1HZ LYS 93 1HZ LYS 93 10.436 -13.747 -0.783 672 2HZ LYS 93 2HZ LYS 93 10.056 -12.438 0.232 673 3HZ LYS 93 3HZ LYS 93 9.525 -12.447 -1.382 674 H LYS 94 H LYS 94 2.278 -14.613 -0.085 675 HA LYS 94 HA LYS 94 1.193 -12.170 -1.249 676 1HB LYS 94 1HB LYS 94 0.987 -15.059 -1.507 677 2HB LYS 94 2HB LYS 94 -0.606 -14.305 -1.597 678 1HG LYS 94 1HG LYS 94 0.568 -12.613 -3.213 679 2HG LYS 94 2HG LYS 94 1.787 -13.878 -3.370 680 1HD LYS 94 1HD LYS 94 -0.790 -15.102 -3.567 681 2HD LYS 94 2HD LYS 94 -0.751 -13.719 -4.663 682 1HE LYS 94 1HE LYS 94 1.281 -14.553 -5.727 683 2HE LYS 94 2HE LYS 94 1.379 -15.886 -4.559 684 1HZ LYS 94 1HZ LYS 94 -0.922 -15.371 -6.369 685 2HZ LYS 94 2HZ LYS 94 -0.770 -16.669 -5.282 686 3HZ LYS 94 3HZ LYS 94 0.263 -16.557 -6.626 687 H LYS 95 H LYS 95 0.279 -14.329 1.410 688 HA LYS 95 HA LYS 95 -2.308 -13.042 1.867 689 1HB LYS 95 1HB LYS 95 -2.452 -14.630 3.642 690 2HB LYS 95 2HB LYS 95 -1.533 -15.447 2.379 691 1HG LYS 95 1HG LYS 95 0.115 -15.776 3.872 692 2HG LYS 95 2HG LYS 95 0.368 -14.032 3.907 693 1HD LYS 95 1HD LYS 95 -1.823 -14.265 5.520 694 2HD LYS 95 2HD LYS 95 -0.985 -15.779 5.870 695 1HE LYS 95 1HE LYS 95 1.145 -14.306 6.120 696 2HE LYS 95 2HE LYS 95 0.005 -12.953 6.262 697 1HZ LYS 95 1HZ LYS 95 0.379 -13.872 8.435 698 2HZ LYS 95 2HZ LYS 95 0.019 -15.440 7.889 699 3HZ LYS 95 3HZ LYS 95 -1.201 -14.258 7.953 700 H GLU 96 H GLU 96 0.973 -12.466 2.761 701 HA GLU 96 HA GLU 96 0.246 -10.718 5.058 702 1HB GLU 96 1HB GLU 96 2.635 -10.806 5.460 703 2HB GLU 96 2HB GLU 96 2.103 -12.430 5.067 704 1HG GLU 96 1HG GLU 96 2.904 -12.212 2.821 705 2HG GLU 96 2HG GLU 96 3.263 -10.503 3.063 706 H LEU 97 H LEU 97 1.817 -10.633 1.908 707 HA LEU 97 HA LEU 97 2.310 -7.761 1.928 708 1HB LEU 97 1HB LEU 97 2.354 -9.907 -0.197 709 2HB LEU 97 2HB LEU 97 2.958 -8.267 -0.431 710 HG LEU 97 HG LEU 97 3.981 -10.337 1.519 711 1HD1 LEU 97 1HD1 LEU 97 5.463 -10.707 -0.112 712 2HD1 LEU 97 2HD1 LEU 97 5.992 -9.028 0.015 713 3HD1 LEU 97 3HD1 LEU 97 4.704 -9.466 -1.108 714 1HD2 LEU 97 1HD2 LEU 97 5.663 -8.327 1.928 715 2HD2 LEU 97 2HD2 LEU 97 4.154 -8.425 2.836 716 3HD2 LEU 97 3HD2 LEU 97 4.275 -7.353 1.441 717 H THR 98 H THR 98 0.119 -9.806 -0.047 718 HA THR 98 HA THR 98 -1.425 -7.360 -0.736 719 HB THR 98 HB THR 98 -2.439 -8.882 -2.413 720 HG1 THR 98 1HG THR 98 -1.144 -10.974 -2.469 721 1HG2 THR 98 1HG2 THR 98 0.302 -9.608 -2.926 722 2HG2 THR 98 2HG2 THR 98 0.231 -7.977 -2.260 723 3HG2 THR 98 3HG2 THR 98 -0.680 -8.374 -3.716 724 H GLY 99 H GLY 99 -1.579 -9.972 1.467 725 1HA GLY 99 1HA GLY 99 -4.340 -10.539 1.584 726 2HA GLY 99 2HA GLY 99 -3.268 -10.583 2.984 727 H CYS 100 H CYS 100 -6.006 -9.155 1.871 728 HA CYS 100 HA CYS 100 -5.576 -6.425 2.810 729 1HB CYS 100 1HB CYS 100 -8.311 -7.474 2.621 730 2HB CYS 100 2HB CYS 100 -7.618 -6.058 1.881 731 H LYS 101 H LYS 101 -7.833 -8.949 3.945 732 HA LYS 101 HA LYS 101 -7.844 -7.608 6.591 733 1HB LYS 101 1HB LYS 101 -9.653 -9.140 4.913 734 2HB LYS 101 2HB LYS 101 -9.638 -9.758 6.564 735 1HG LYS 101 1HG LYS 101 -10.171 -7.583 7.462 736 2HG LYS 101 2HG LYS 101 -9.962 -6.824 5.884 737 1HD LYS 101 1HD LYS 101 -11.954 -7.689 5.049 738 2HD LYS 101 2HD LYS 101 -11.954 -9.048 6.174 739 1HE LYS 101 1HE LYS 101 -12.995 -7.843 7.823 740 2HE LYS 101 2HE LYS 101 -12.114 -6.354 7.423 741 1HZ LYS 101 1HZ LYS 101 -14.097 -7.514 5.564 742 2HZ LYS 101 2HZ LYS 101 -13.492 -5.927 5.614 743 3HZ LYS 101 3HZ LYS 101 -14.579 -6.462 6.804 744 H GLY 102 H GLY 102 -5.695 -9.626 5.485 745 1HA GLY 102 1HA GLY 102 -5.344 -10.983 8.055 746 2HA GLY 102 2HA GLY 102 -5.700 -12.083 6.723 747 H SER 103 H SER 103 -3.725 -9.106 6.713 748 HA SER 103 HA SER 103 -1.395 -10.793 5.908 749 1HB SER 103 1HB SER 103 -1.027 -9.291 4.165 750 2HB SER 103 2HB SER 103 -2.771 -9.385 4.214 751 HG SER 103 HG SER 103 -2.756 -7.489 5.480 752 H LYS 104 H LYS 104 0.189 -8.340 5.632 753 HA LYS 104 HA LYS 104 0.830 -7.874 8.512 754 1HB LYS 104 1HB LYS 104 2.263 -7.475 5.869 755 2HB LYS 104 2HB LYS 104 2.959 -7.046 7.430 756 1HG LYS 104 1HG LYS 104 1.877 -9.816 7.060 757 2HG LYS 104 2HG LYS 104 3.447 -9.420 6.359 758 1HD LYS 104 1HD LYS 104 3.521 -8.327 8.941 759 2HD LYS 104 2HD LYS 104 2.754 -9.904 9.138 760 1HE LYS 104 1HE LYS 104 4.615 -11.043 8.145 761 2HE LYS 104 2HE LYS 104 5.318 -9.521 7.563 762 1HZ LYS 104 1HZ LYS 104 6.033 -8.949 9.612 763 2HZ LYS 104 2HZ LYS 104 6.004 -10.627 9.880 764 3HZ LYS 104 3HZ LYS 104 4.710 -9.657 10.403 765 H CYS 105 H CYS 105 -0.216 -6.415 5.561 766 HA CYS 105 HA CYS 105 0.274 -3.652 6.325 767 1HB CYS 105 1HB CYS 105 -0.168 -5.139 4.041 768 2HB CYS 105 2HB CYS 105 -1.686 -4.299 4.241 769 H HIS 106 H HIS 106 -2.457 -5.904 6.503 770 HA HIS 106 HA HIS 106 -4.097 -3.719 7.751 771 1HB HIS 106 1HB HIS 106 -4.638 -6.000 5.902 772 2HB HIS 106 2HB HIS 106 -5.919 -5.542 7.024 773 HD1 HIS 106 HD1 HIS 106 -5.199 -2.450 7.008 774 HD2 HIS 106 HD2 HIS 106 -5.862 -4.804 3.611 775 HE1 HIS 106 HE1 HIS 106 -5.753 -0.849 5.133 776 H SER 107 H SER 107 -3.065 -4.272 9.852 777 HA SER 107 HA SER 107 -3.437 -6.963 10.956 778 1HB SER 107 1HB SER 107 -2.258 -4.340 11.739 779 2HB SER 107 2HB SER 107 -2.729 -5.419 13.049 780 HG SER 107 HG SER 107 -0.837 -6.265 12.616 781 HHA HEC 201 HHA HEC 201 6.044 8.631 5.711 782 HHB HEC 201 HHB HEC 201 12.090 9.768 4.719 783 HHC HEC 201 HHC HEC 201 12.540 4.660 1.041 784 HHD HEC 201 HHD HEC 201 6.414 3.592 1.770 785 1HMA HEC 201 1HMA HEC 201 10.338 11.832 6.524 786 2HMA HEC 201 2HMA HEC 201 11.370 10.475 6.980 787 3HMA HEC 201 3HMA HEC 201 9.867 10.775 7.857 788 1HAA HEC 201 1HAA HEC 201 6.686 9.439 7.453 789 2HAA HEC 201 2HAA HEC 201 8.031 10.392 8.071 790 1HBA HEC 201 1HBA HEC 201 6.346 11.346 5.761 791 2HBA HEC 201 2HBA HEC 201 5.892 11.667 7.433 792 1HMB HEC 201 1HMB HEC 201 14.028 9.582 4.295 793 2HMB HEC 201 2HMB HEC 201 15.129 8.204 4.298 794 3HMB HEC 201 3HMB HEC 201 14.915 9.158 2.830 795 HAB HEC 201 HAB HEC 201 14.387 5.398 1.192 796 1HBB HEC 201 1HBB HEC 201 15.873 4.649 2.709 797 2HBB HEC 201 2HBB HEC 201 15.227 5.786 3.892 798 3HBB HEC 201 3HBB HEC 201 16.559 6.268 2.842 799 1HMC HEC 201 1HMC HEC 201 11.513 1.678 0.558 800 2HMC HEC 201 2HMC HEC 201 10.718 2.217 -0.921 801 3HMC HEC 201 3HMC HEC 201 12.067 3.140 -0.258 802 HAC HEC 201 HAC HEC 201 7.064 2.185 0.625 803 1HBC HEC 201 1HBC HEC 201 8.230 0.094 -0.394 804 2HBC HEC 201 2HBC HEC 201 8.282 0.317 1.354 805 3HBC HEC 201 3HBC HEC 201 9.686 0.732 0.372 806 1HMD HEC 201 1HMD HEC 201 4.585 3.257 3.716 807 2HMD HEC 201 2HMD HEC 201 3.384 4.437 4.240 808 3HMD HEC 201 3HMD HEC 201 3.748 4.255 2.524 809 1HAD HEC 201 1HAD HEC 201 4.229 7.989 5.453 810 2HAD HEC 201 2HAD HEC 201 3.133 7.051 4.448 811 1HBD HEC 201 1HBD HEC 201 3.299 5.157 5.995 812 2HBD HEC 201 2HBD HEC 201 4.458 6.048 6.982 813 HHA HEC 202 HHA HEC 202 1.516 7.716 -9.536 814 HHB HEC 202 HHB HEC 202 2.824 4.153 -4.920 815 HHC HEC 202 HHC HEC 202 4.437 9.023 -1.262 816 HHD HEC 202 HHD HEC 202 2.575 12.949 -5.936 817 1HMA HEC 202 1HMA HEC 202 2.081 2.875 -7.456 818 2HMA HEC 202 2HMA HEC 202 0.363 3.265 -7.396 819 3HMA HEC 202 3HMA HEC 202 1.296 3.169 -5.904 820 1HAA HEC 202 1HAA HEC 202 1.078 5.456 -10.087 821 2HAA HEC 202 2HAA HEC 202 0.017 4.472 -9.113 822 1HBA HEC 202 1HBA HEC 202 -1.334 6.450 -8.575 823 2HBA HEC 202 2HBA HEC 202 -0.277 7.441 -9.575 824 1HMB HEC 202 1HMB HEC 202 4.192 3.826 -1.394 825 2HMB HEC 202 2HMB HEC 202 2.930 3.496 -2.583 826 3HMB HEC 202 3HMB HEC 202 4.627 3.446 -3.060 827 HAB HEC 202 HAB HEC 202 4.133 7.046 0.063 828 1HBB HEC 202 1HBB HEC 202 6.374 6.933 0.297 829 2HBB HEC 202 2HBB HEC 202 6.521 6.228 -1.313 830 3HBB HEC 202 3HBB HEC 202 6.283 5.185 0.088 831 1HMC HEC 202 1HMC HEC 202 4.899 10.965 -0.654 832 2HMC HEC 202 2HMC HEC 202 5.340 12.537 -1.320 833 3HMC HEC 202 3HMC HEC 202 3.749 12.301 -0.597 834 HAC HEC 202 HAC HEC 202 2.620 14.042 -4.182 835 1HBC HEC 202 1HBC HEC 202 4.623 15.134 -4.092 836 2HBC HEC 202 2HBC HEC 202 5.328 13.901 -3.047 837 3HBC HEC 202 3HBC HEC 202 4.374 15.208 -2.348 838 1HMD HEC 202 1HMD HEC 202 2.793 13.551 -8.395 839 2HMD HEC 202 2HMD HEC 202 1.034 13.421 -8.353 840 3HMD HEC 202 3HMD HEC 202 1.917 12.987 -9.818 841 1HAD HEC 202 1HAD HEC 202 1.862 9.264 -10.783 842 2HAD HEC 202 2HAD HEC 202 1.112 10.845 -10.943 843 1HBD HEC 202 1HBD HEC 202 3.623 11.647 -10.473 844 2HBD HEC 202 2HBD HEC 202 3.976 10.067 -11.174 845 HHA HEC 203 HHA HEC 203 7.036 -6.985 4.596 846 HHB HEC 203 HHB HEC 203 2.690 -2.156 4.920 847 HHC HEC 203 HHC HEC 203 4.701 0.005 -0.410 848 HHD HEC 203 HHD HEC 203 8.951 -4.614 -0.894 849 1HMA HEC 203 1HMA HEC 203 3.038 -5.122 7.564 850 2HMA HEC 203 2HMA HEC 203 2.133 -4.006 6.541 851 3HMA HEC 203 3HMA HEC 203 3.425 -3.401 7.577 852 1HAA HEC 203 1HAA HEC 203 4.801 -6.189 7.740 853 2HAA HEC 203 2HAA HEC 203 4.554 -7.399 6.488 854 1HBA HEC 203 1HBA HEC 203 6.761 -7.913 6.387 855 2HBA HEC 203 2HBA HEC 203 7.252 -6.223 6.491 856 1HMB HEC 203 1HMB HEC 203 2.336 0.070 5.071 857 2HMB HEC 203 2HMB HEC 203 1.914 1.224 3.805 858 3HMB HEC 203 3HMB HEC 203 1.071 -0.322 3.906 859 HAB HEC 203 HAB HEC 203 2.782 0.842 0.158 860 1HBB HEC 203 1HBB HEC 203 3.318 3.306 1.010 861 2HBB HEC 203 2HBB HEC 203 4.593 2.307 0.313 862 3HBB HEC 203 3HBB HEC 203 4.452 2.457 2.064 863 1HMC HEC 203 1HMC HEC 203 5.686 0.331 -2.119 864 2HMC HEC 203 2HMC HEC 203 7.328 0.142 -2.735 865 3HMC HEC 203 3HMC HEC 203 6.009 -0.787 -3.445 866 HAC HEC 203 HAC HEC 203 9.199 -3.444 -2.551 867 1HBC HEC 203 1HBC HEC 203 9.213 -0.836 -2.641 868 2HBC HEC 203 2HBC HEC 203 8.174 -1.036 -4.048 869 3HBC HEC 203 3HBC HEC 203 9.798 -1.724 -4.048 870 1HMD HEC 203 1HMD HEC 203 9.957 -7.857 0.264 871 2HMD HEC 203 2HMD HEC 203 10.974 -6.658 1.062 872 3HMD HEC 203 3HMD HEC 203 10.160 -6.258 -0.451 873 1HAD HEC 203 1HAD HEC 203 10.091 -7.861 3.266 874 2HAD HEC 203 2HAD HEC 203 8.572 -8.075 4.127 875 1HBD HEC 203 1HBD HEC 203 8.492 -9.060 1.361 876 2HBD HEC 203 2HBD HEC 203 9.668 -9.897 2.375 877 HHA HEC 204 HHA HEC 204 -6.777 2.338 3.647 878 HHB HEC 204 HHB HEC 204 -10.082 -2.208 0.841 879 HHC HEC 204 HHC HEC 204 -4.816 -5.878 0.915 880 HHD HEC 204 HHD HEC 204 -1.500 -1.000 2.753 881 1HMA HEC 204 1HMA HEC 204 -11.424 -0.771 1.378 882 2HMA HEC 204 2HMA HEC 204 -11.175 0.924 0.957 883 3HMA HEC 204 3HMA HEC 204 -11.689 0.488 2.587 884 1HAA HEC 204 1HAA HEC 204 -10.191 2.266 4.017 885 2HAA HEC 204 2HAA HEC 204 -8.621 2.981 3.652 886 1HBA HEC 204 1HBA HEC 204 -9.311 3.231 1.278 887 2HBA HEC 204 2HBA HEC 204 -10.888 2.569 1.685 888 1HMB HEC 204 1HMB HEC 204 -10.553 -3.826 -0.374 889 2HMB HEC 204 2HMB HEC 204 -10.192 -5.550 -0.288 890 3HMB HEC 204 3HMB HEC 204 -9.708 -4.618 -1.704 891 HAB HEC 204 HAB HEC 204 -6.459 -6.922 0.194 892 1HBB HEC 204 1HBB HEC 204 -7.244 -5.771 -2.474 893 2HBB HEC 204 2HBB HEC 204 -6.909 -7.492 -2.293 894 3HBB HEC 204 3HBB HEC 204 -5.657 -6.306 -1.923 895 1HMC HEC 204 1HMC HEC 204 -3.001 -6.536 0.859 896 2HMC HEC 204 2HMC HEC 204 -1.501 -5.833 0.256 897 3HMC HEC 204 3HMC HEC 204 -1.649 -6.265 1.959 898 HAC HEC 204 HAC HEC 204 -0.443 -2.533 2.962 899 1HBC HEC 204 1HBC HEC 204 1.428 -3.173 1.581 900 2HBC HEC 204 2HBC HEC 204 0.185 -2.552 0.495 901 3HBC HEC 204 3HBC HEC 204 0.432 -4.291 0.648 902 1HMD HEC 204 1HMD HEC 204 -1.483 2.642 3.136 903 2HMD HEC 204 2HMD HEC 204 -1.375 1.642 4.583 904 3HMD HEC 204 3HMD HEC 204 -0.893 0.984 3.019 905 1HAD HEC 204 1HAD HEC 204 -3.597 3.876 3.604 906 2HAD HEC 204 2HAD HEC 204 -5.291 3.560 3.963 907 1HBD HEC 204 1HBD HEC 204 -4.182 2.221 6.007 908 2HBD HEC 204 2HBD HEC 204 -2.920 3.419 5.750 Start of MODEL 11 1 1H ALA 1 1H ALA 1 19.246 15.276 2.153 2 2H ALA 1 2H ALA 1 18.829 14.084 1.016 3 3H ALA 1 3H ALA 1 20.440 14.606 1.151 4 HA ALA 1 HA ALA 1 20.048 12.411 2.210 5 1HB ALA 1 1HB ALA 1 21.865 13.996 2.798 6 2HB ALA 1 2HB ALA 1 21.317 13.097 4.212 7 3HB ALA 1 3HB ALA 1 20.799 14.766 3.973 8 HA PRO 2 HA PRO 2 16.004 13.181 4.305 9 1HB PRO 2 1HB PRO 2 14.822 10.888 3.397 10 2HB PRO 2 2HB PRO 2 14.809 12.405 2.486 11 1HG PRO 2 1HG PRO 2 16.514 9.998 2.128 12 2HG PRO 2 2HG PRO 2 15.812 11.073 0.910 13 1HD PRO 2 1HD PRO 2 18.430 11.170 1.695 14 2HD PRO 2 2HD PRO 2 17.540 12.564 1.044 15 H LYS 3 H LYS 3 15.623 12.366 6.357 16 HA LYS 3 HA LYS 3 17.233 10.000 7.198 17 1HB LYS 3 1HB LYS 3 15.705 12.073 8.784 18 2HB LYS 3 2HB LYS 3 16.818 10.873 9.435 19 1HG LYS 3 1HG LYS 3 18.370 12.059 7.515 20 2HG LYS 3 2HG LYS 3 17.401 13.423 8.074 21 1HD LYS 3 1HD LYS 3 18.420 11.708 10.240 22 2HD LYS 3 2HD LYS 3 19.679 12.526 9.315 23 1HE LYS 3 1HE LYS 3 18.990 14.636 9.982 24 2HE LYS 3 2HE LYS 3 17.295 14.135 10.162 25 1HZ LYS 3 1HZ LYS 3 18.698 14.443 12.280 26 2HZ LYS 3 2HZ LYS 3 19.404 12.956 11.858 27 3HZ LYS 3 3HZ LYS 3 17.733 13.054 12.149 28 H ALA 4 H ALA 4 15.783 8.442 6.285 29 HA ALA 4 HA ALA 4 13.064 8.113 6.422 30 1HB ALA 4 1HB ALA 4 15.199 6.534 5.873 31 2HB ALA 4 2HB ALA 4 13.558 5.904 6.015 32 3HB ALA 4 3HB ALA 4 14.664 5.798 7.384 33 HA PRO 5 HA PRO 5 12.158 8.329 10.728 34 1HB PRO 5 1HB PRO 5 9.522 7.599 10.565 35 2HB PRO 5 2HB PRO 5 10.127 9.209 10.137 36 1HG PRO 5 1HG PRO 5 9.266 6.995 8.382 37 2HG PRO 5 2HG PRO 5 9.242 8.738 8.105 38 1HD PRO 5 1HD PRO 5 11.111 6.937 7.067 39 2HD PRO 5 2HD PRO 5 11.263 8.703 7.095 40 H ALA 6 H ALA 6 11.491 6.887 12.482 41 HA ALA 6 HA ALA 6 12.588 4.284 12.334 42 1HB ALA 6 1HB ALA 6 10.563 5.529 14.218 43 2HB ALA 6 2HB ALA 6 12.318 5.571 14.393 44 3HB ALA 6 3HB ALA 6 11.452 4.042 14.549 45 H ASP 7 H ASP 7 11.619 2.263 12.164 46 HA ASP 7 HA ASP 7 9.465 1.856 10.387 47 1HB ASP 7 1HB ASP 7 10.326 0.019 12.638 48 2HB ASP 7 2HB ASP 7 9.702 -0.438 11.054 49 H GLY 8 H GLY 8 7.460 0.511 11.194 50 1HA GLY 8 1HA GLY 8 5.568 0.307 12.597 51 2HA GLY 8 2HA GLY 8 6.412 1.260 13.815 52 H LEU 9 H LEU 9 6.417 2.689 10.706 53 HA LEU 9 HA LEU 9 4.986 5.014 11.554 54 1HB LEU 9 1HB LEU 9 6.482 4.179 9.363 55 2HB LEU 9 2HB LEU 9 4.871 4.433 8.686 56 HG LEU 9 HG LEU 9 5.850 6.502 10.579 57 1HD1 LEU 9 1HD1 LEU 9 7.005 6.042 7.816 58 2HD1 LEU 9 2HD1 LEU 9 7.883 6.219 9.337 59 3HD1 LEU 9 3HD1 LEU 9 7.064 7.609 8.623 60 1HD2 LEU 9 1HD2 LEU 9 4.857 7.897 8.599 61 2HD2 LEU 9 2HD2 LEU 9 3.751 6.984 9.633 62 3HD2 LEU 9 3HD2 LEU 9 4.214 6.347 8.054 63 H LYS 10 H LYS 10 2.829 5.140 11.958 64 HA LYS 10 HA LYS 10 1.050 3.065 10.789 65 1HB LYS 10 1HB LYS 10 1.165 4.756 13.187 66 2HB LYS 10 2HB LYS 10 -0.448 4.615 12.488 67 1HG LYS 10 1HG LYS 10 0.203 2.050 12.331 68 2HG LYS 10 2HG LYS 10 1.305 2.482 13.641 69 1HD LYS 10 1HD LYS 10 -1.533 3.417 13.813 70 2HD LYS 10 2HD LYS 10 -1.187 1.723 14.161 71 1HE LYS 10 1HE LYS 10 0.713 3.560 15.449 72 2HE LYS 10 2HE LYS 10 -0.961 3.777 15.999 73 1HZ LYS 10 1HZ LYS 10 0.516 1.902 17.026 74 2HZ LYS 10 2HZ LYS 10 0.073 1.054 15.622 75 3HZ LYS 10 3HZ LYS 10 -1.122 1.614 16.692 76 H MET 11 H MET 11 0.195 3.614 8.862 77 HA MET 11 HA MET 11 -0.366 6.432 8.164 78 1HB MET 11 1HB MET 11 -1.191 5.159 6.031 79 2HB MET 11 2HB MET 11 0.535 5.172 6.374 80 1HG MET 11 1HG MET 11 -0.936 2.975 7.665 81 2HG MET 11 2HG MET 11 -0.947 2.917 5.904 82 1HE MET 11 1HE MET 11 0.792 2.362 4.453 83 2HE MET 11 2HE MET 11 2.527 2.432 4.750 84 3HE MET 11 3HE MET 11 1.581 3.918 4.737 85 H ASP 12 H ASP 12 -2.186 7.136 9.266 86 HA ASP 12 HA ASP 12 -4.568 5.317 9.319 87 1HB ASP 12 1HB ASP 12 -5.232 7.078 11.113 88 2HB ASP 12 2HB ASP 12 -3.950 5.937 11.495 89 H LYS 13 H LYS 13 -3.556 7.349 7.182 90 HA LYS 13 HA LYS 13 -5.211 9.586 6.939 91 1HB LYS 13 1HB LYS 13 -4.059 7.567 5.027 92 2HB LYS 13 2HB LYS 13 -4.999 8.931 4.425 93 1HG LYS 13 1HG LYS 13 -2.570 9.147 6.230 94 2HG LYS 13 2HG LYS 13 -2.566 9.439 4.489 95 1HD LYS 13 1HD LYS 13 -4.400 11.172 4.921 96 2HD LYS 13 2HD LYS 13 -3.996 11.019 6.631 97 1HE LYS 13 1HE LYS 13 -1.668 11.401 4.836 98 2HE LYS 13 2HE LYS 13 -2.761 12.792 4.971 99 1HZ LYS 13 1HZ LYS 13 -1.323 12.985 6.798 100 2HZ LYS 13 2HZ LYS 13 -1.389 11.325 7.147 101 3HZ LYS 13 3HZ LYS 13 -2.738 12.312 7.446 102 H THR 14 H THR 14 -6.016 6.192 6.532 103 HA THR 14 HA THR 14 -8.832 6.963 5.818 104 HB THR 14 HB THR 14 -8.841 4.565 4.910 105 HG1 THR 14 1HG THR 14 -7.124 3.578 5.672 106 1HG2 THR 14 1HG2 THR 14 -8.680 6.474 3.421 107 2HG2 THR 14 2HG2 THR 14 -7.553 5.232 2.875 108 3HG2 THR 14 3HG2 THR 14 -6.958 6.637 3.760 109 H LYS 15 H LYS 15 -10.337 4.960 6.494 110 HA LYS 15 HA LYS 15 -10.398 4.864 9.365 111 1HB LYS 15 1HB LYS 15 -11.855 3.763 7.029 112 2HB LYS 15 2HB LYS 15 -12.010 2.829 8.517 113 1HG LYS 15 1HG LYS 15 -13.486 4.330 9.304 114 2HG LYS 15 2HG LYS 15 -12.257 5.591 9.194 115 1HD LYS 15 1HD LYS 15 -12.859 6.065 6.896 116 2HD LYS 15 2HD LYS 15 -13.963 4.690 6.858 117 1HE LYS 15 1HE LYS 15 -15.435 5.740 8.478 118 2HE LYS 15 2HE LYS 15 -14.276 7.060 8.734 119 1HZ LYS 15 1HZ LYS 15 -16.087 7.546 7.083 120 2HZ LYS 15 2HZ LYS 15 -15.388 6.374 6.071 121 3HZ LYS 15 3HZ LYS 15 -14.508 7.763 6.502 122 H GLN 16 H GLN 16 -8.878 2.880 6.936 123 HA GLN 16 HA GLN 16 -8.269 0.755 8.944 124 1HB GLN 16 1HB GLN 16 -8.595 0.972 6.008 125 2HB GLN 16 2HB GLN 16 -7.303 -0.105 6.537 126 1HG GLN 16 1HG GLN 16 -9.128 -0.999 8.212 127 2HG GLN 16 2HG GLN 16 -10.254 -0.299 7.048 128 1HE2 GLN 16 2HE2 GLN 16 -9.812 -0.997 4.667 129 2HE2 GLN 16 1HE2 GLN 16 -9.317 -2.602 4.422 130 HA PRO 17 HA PRO 17 -4.460 3.352 8.776 131 1HB PRO 17 1HB PRO 17 -3.805 2.932 11.407 132 2HB PRO 17 2HB PRO 17 -4.898 4.223 10.867 133 1HG PRO 17 1HG PRO 17 -5.555 1.540 11.998 134 2HG PRO 17 2HG PRO 17 -6.294 3.115 12.334 135 1HD PRO 17 1HD PRO 17 -7.447 1.312 10.690 136 2HD PRO 17 2HD PRO 17 -7.592 3.066 10.425 137 H VAL 18 H VAL 18 -2.442 2.511 8.354 138 HA VAL 18 HA VAL 18 -1.958 -0.363 9.045 139 HB VAL 18 HB VAL 18 -1.483 1.310 6.573 140 1HG1 VAL 18 1HG1 VAL 18 0.597 0.130 6.982 141 2HG1 VAL 18 2HG1 VAL 18 -0.261 -0.685 5.675 142 3HG1 VAL 18 3HG1 VAL 18 -0.270 -1.372 7.300 143 1HG2 VAL 18 1HG2 VAL 18 -3.504 0.285 6.219 144 2HG2 VAL 18 2HG2 VAL 18 -3.177 -0.993 7.390 145 3HG2 VAL 18 3HG2 VAL 18 -2.484 -1.082 5.770 146 H VAL 19 H VAL 19 0.312 -0.907 9.398 147 HA VAL 19 HA VAL 19 1.940 1.416 10.346 148 HB VAL 19 HB VAL 19 1.811 -1.539 10.993 149 1HG1 VAL 19 1HG1 VAL 19 3.603 -0.503 12.781 150 2HG1 VAL 19 2HG1 VAL 19 4.035 0.379 11.317 151 3HG1 VAL 19 3HG1 VAL 19 4.059 -1.384 11.323 152 1HG2 VAL 19 1HG2 VAL 19 0.231 0.234 12.014 153 2HG2 VAL 19 2HG2 VAL 19 1.659 0.827 12.864 154 3HG2 VAL 19 3HG2 VAL 19 1.093 -0.820 13.135 155 H PHE 20 H PHE 20 3.509 2.007 8.839 156 HA PHE 20 HA PHE 20 4.564 -0.071 6.987 157 1HB PHE 20 1HB PHE 20 3.776 2.096 6.089 158 2HB PHE 20 2HB PHE 20 4.946 2.942 7.101 159 HD1 PHE 20 HD1 PHE 20 4.929 -0.001 4.771 160 HD2 PHE 20 HD2 PHE 20 6.924 3.582 6.038 161 HE1 PHE 20 HE1 PHE 20 6.690 -0.373 3.067 162 HE2 PHE 20 HE2 PHE 20 8.677 3.209 4.332 163 HZ PHE 20 HZ PHE 20 8.564 1.233 2.847 164 H ASN 21 H ASN 21 6.431 -1.090 7.565 165 HA ASN 21 HA ASN 21 8.199 0.143 9.601 166 1HB ASN 21 1HB ASN 21 7.284 -2.469 8.769 167 2HB ASN 21 2HB ASN 21 9.038 -2.416 8.773 168 1HD2 ASN 21 2HD2 ASN 21 8.857 -3.921 10.704 169 2HD2 ASN 21 1HD2 ASN 21 8.561 -3.247 12.233 170 H HIS 22 H HIS 22 9.381 1.690 8.295 171 HA HIS 22 HA HIS 22 10.421 1.368 5.717 172 1HB HIS 22 1HB HIS 22 11.284 2.767 8.227 173 2HB HIS 22 2HB HIS 22 12.381 2.768 6.848 174 HD1 HIS 22 HD1 HIS 22 9.545 4.546 8.220 175 HD2 HIS 22 HD2 HIS 22 10.955 3.797 4.364 176 HE1 HIS 22 HE1 HIS 22 8.518 6.310 6.726 177 H SER 23 H SER 23 11.403 -0.173 8.700 178 HA SER 23 HA SER 23 14.039 -1.013 8.070 179 1HB SER 23 1HB SER 23 13.528 -1.592 10.218 180 2HB SER 23 2HB SER 23 11.811 -1.751 9.855 181 HG SER 23 HG SER 23 13.815 -3.618 9.100 182 H THR 24 H THR 24 10.887 -2.429 7.230 183 HA THR 24 HA THR 24 12.079 -4.724 5.849 184 HB THR 24 HB THR 24 9.266 -3.920 5.373 185 HG1 THR 24 1HG THR 24 8.994 -4.773 7.685 186 1HG2 THR 24 1HG2 THR 24 8.946 -6.174 5.357 187 2HG2 THR 24 2HG2 THR 24 9.983 -6.429 6.761 188 3HG2 THR 24 3HG2 THR 24 10.698 -6.226 5.162 189 H HIS 25 H HIS 25 11.834 -1.494 5.068 190 HA HIS 25 HA HIS 25 11.604 -2.095 2.151 191 1HB HIS 25 1HB HIS 25 10.807 0.332 3.781 192 2HB HIS 25 2HB HIS 25 10.602 0.161 2.040 193 HD1 HIS 25 HD1 HIS 25 9.311 -1.144 5.310 194 HD2 HIS 25 HD2 HIS 25 8.544 -1.644 1.246 195 HE1 HIS 25 HE1 HIS 25 7.170 -2.482 5.148 196 H LYS 26 H LYS 26 13.659 -0.977 4.633 197 HA LYS 26 HA LYS 26 15.160 1.096 3.473 198 1HB LYS 26 1HB LYS 26 16.074 -1.334 5.053 199 2HB LYS 26 2HB LYS 26 17.004 0.153 4.860 200 1HG LYS 26 1HG LYS 26 14.655 1.189 5.719 201 2HG LYS 26 2HG LYS 26 14.612 -0.375 6.533 202 1HD LYS 26 1HD LYS 26 16.124 0.327 8.041 203 2HD LYS 26 2HD LYS 26 17.258 0.736 6.753 204 1HE LYS 26 1HE LYS 26 16.758 2.958 6.869 205 2HE LYS 26 2HE LYS 26 15.020 2.645 7.042 206 1HZ LYS 26 1HZ LYS 26 15.902 3.511 9.107 207 2HZ LYS 26 2HZ LYS 26 17.085 2.292 9.152 208 3HZ LYS 26 3HZ LYS 26 15.442 1.892 9.319 209 H ALA 27 H ALA 27 14.996 -2.301 2.640 210 HA ALA 27 HA ALA 27 17.348 -2.197 0.864 211 1HB ALA 27 1HB ALA 27 16.828 -4.211 2.146 212 2HB ALA 27 2HB ALA 27 16.616 -4.562 0.430 213 3HB ALA 27 3HB ALA 27 15.207 -4.270 1.452 214 H VAL 28 H VAL 28 14.099 -1.277 0.688 215 HA VAL 28 HA VAL 28 13.631 -1.977 -2.124 216 HB VAL 28 HB VAL 28 12.236 -0.322 -0.014 217 1HG1 VAL 28 1HG1 VAL 28 10.341 -0.158 -1.614 218 2HG1 VAL 28 2HG1 VAL 28 11.378 -0.835 -2.871 219 3HG1 VAL 28 3HG1 VAL 28 11.762 0.731 -2.156 220 1HG2 VAL 28 1HG2 VAL 28 10.499 -2.155 -0.391 221 2HG2 VAL 28 2HG2 VAL 28 12.005 -2.672 0.368 222 3HG2 VAL 28 3HG2 VAL 28 11.727 -2.988 -1.344 223 H LYS 29 H LYS 29 12.897 0.057 -3.525 224 HA LYS 29 HA LYS 29 15.234 1.866 -3.532 225 1HB LYS 29 1HB LYS 29 13.371 0.743 -5.419 226 2HB LYS 29 2HB LYS 29 13.404 2.500 -5.570 227 1HG LYS 29 1HG LYS 29 15.229 2.089 -6.874 228 2HG LYS 29 2HG LYS 29 16.049 2.010 -5.313 229 1HD LYS 29 1HD LYS 29 16.488 -0.187 -5.575 230 2HD LYS 29 2HD LYS 29 14.802 -0.532 -5.962 231 1HE LYS 29 1HE LYS 29 16.300 -1.113 -7.863 232 2HE LYS 29 2HE LYS 29 15.201 0.210 -8.304 233 1HZ LYS 29 1HZ LYS 29 17.700 0.525 -8.738 234 2HZ LYS 29 2HZ LYS 29 17.819 0.770 -7.061 235 3HZ LYS 29 3HZ LYS 29 16.848 1.795 -8.007 236 H CYS 30 H CYS 30 14.967 3.465 -2.072 237 HA CYS 30 HA CYS 30 12.672 4.650 -1.027 238 1HB CYS 30 1HB CYS 30 15.410 5.691 -1.751 239 2HB CYS 30 2HB CYS 30 14.218 6.769 -1.029 240 H GLY 31 H GLY 31 13.994 4.936 -4.239 241 1HA GLY 31 1HA GLY 31 12.297 7.241 -4.935 242 2HA GLY 31 2HA GLY 31 13.415 6.413 -6.021 243 H ASP 32 H ASP 32 12.004 3.823 -4.851 244 HA ASP 32 HA ASP 32 10.109 3.609 -7.075 245 1HB ASP 32 1HB ASP 32 11.683 1.923 -5.486 246 2HB ASP 32 2HB ASP 32 10.030 1.514 -5.048 247 H CYS 33 H CYS 33 10.015 4.084 -3.587 248 HA CYS 33 HA CYS 33 7.045 3.983 -3.523 249 1HB CYS 33 1HB CYS 33 9.289 4.323 -1.513 250 2HB CYS 33 2HB CYS 33 7.599 4.533 -1.057 251 H HIS 34 H HIS 34 9.656 6.264 -2.607 252 HA HIS 34 HA HIS 34 7.799 8.566 -2.813 253 1HB HIS 34 1HB HIS 34 10.709 8.198 -2.018 254 2HB HIS 34 2HB HIS 34 9.900 9.758 -2.031 255 HD1 HIS 34 HD1 HIS 34 7.484 9.662 -0.551 256 HD2 HIS 34 HD2 HIS 34 10.527 6.993 0.445 257 HE1 HIS 34 HE1 HIS 34 7.041 8.920 1.829 258 H HIS 35 H HIS 35 8.320 7.157 -5.271 259 HA HIS 35 HA HIS 35 10.308 7.733 -6.990 260 1HB HIS 35 1HB HIS 35 8.464 8.214 -8.694 261 2HB HIS 35 2HB HIS 35 8.292 6.733 -7.771 262 HD1 HIS 35 HD1 HIS 35 7.031 10.236 -7.913 263 HD2 HIS 35 HD2 HIS 35 5.998 6.625 -6.141 264 HE1 HIS 35 HE1 HIS 35 4.756 10.592 -6.871 265 HA PRO 36 HA PRO 36 11.227 11.980 -7.198 266 1HB PRO 36 1HB PRO 36 11.781 12.286 -9.870 267 2HB PRO 36 2HB PRO 36 12.875 11.475 -8.731 268 1HG PRO 36 1HG PRO 36 10.908 10.281 -10.634 269 2HG PRO 36 2HG PRO 36 12.569 9.781 -10.274 270 1HD PRO 36 1HD PRO 36 10.453 8.506 -9.217 271 2HD PRO 36 2HD PRO 36 11.967 8.720 -8.307 272 H VAL 37 H VAL 37 9.309 13.078 -6.751 273 HA VAL 37 HA VAL 37 7.264 13.409 -8.869 274 HB VAL 37 HB VAL 37 7.548 14.090 -5.940 275 1HG1 VAL 37 1HG1 VAL 37 6.420 15.997 -6.970 276 2HG1 VAL 37 2HG1 VAL 37 5.242 15.034 -6.079 277 3HG1 VAL 37 3HG1 VAL 37 5.329 14.916 -7.836 278 1HG2 VAL 37 1HG2 VAL 37 5.988 12.171 -7.630 279 2HG2 VAL 37 2HG2 VAL 37 5.260 12.744 -6.129 280 3HG2 VAL 37 3HG2 VAL 37 6.807 11.896 -6.093 281 H ASN 38 H ASN 38 6.757 15.504 -9.727 282 HA ASN 38 HA ASN 38 7.252 17.696 -10.470 283 1HB ASN 38 1HB ASN 38 7.061 17.817 -7.889 284 2HB ASN 38 2HB ASN 38 8.800 17.877 -7.894 285 1HD2 ASN 38 2HD2 ASN 38 6.445 19.983 -7.482 286 2HD2 ASN 38 1HD2 ASN 38 7.020 21.322 -8.353 287 H GLY 39 H GLY 39 10.153 17.427 -8.523 288 1HA GLY 39 1HA GLY 39 11.794 16.819 -10.919 289 2HA GLY 39 2HA GLY 39 12.157 18.279 -9.992 290 H LYS 40 H LYS 40 10.938 15.967 -7.891 291 HA LYS 40 HA LYS 40 13.462 14.505 -7.447 292 1HB LYS 40 1HB LYS 40 13.660 15.554 -5.130 293 2HB LYS 40 2HB LYS 40 14.045 16.625 -6.479 294 1HG LYS 40 1HG LYS 40 12.196 17.930 -6.146 295 2HG LYS 40 2HG LYS 40 11.197 16.565 -5.645 296 1HD LYS 40 1HD LYS 40 12.012 16.618 -3.438 297 2HD LYS 40 2HD LYS 40 13.438 17.554 -3.890 298 1HE LYS 40 1HE LYS 40 11.472 19.277 -4.662 299 2HE LYS 40 2HE LYS 40 10.695 18.494 -3.271 300 1HZ LYS 40 1HZ LYS 40 11.956 19.958 -2.121 301 2HZ LYS 40 2HZ LYS 40 13.098 20.137 -3.368 302 3HZ LYS 40 3HZ LYS 40 13.161 18.784 -2.342 303 H GLU 41 H GLU 41 13.231 12.977 -5.585 304 HA GLU 41 HA GLU 41 10.560 11.820 -5.476 305 1HB GLU 41 1HB GLU 41 13.245 11.277 -4.206 306 2HB GLU 41 2HB GLU 41 11.820 10.344 -3.750 307 1HG GLU 41 1HG GLU 41 11.632 9.354 -5.846 308 2HG GLU 41 2HG GLU 41 12.451 10.684 -6.663 309 H ASP 42 H ASP 42 9.003 12.797 -4.198 310 HA ASP 42 HA ASP 42 9.624 14.487 -1.943 311 1HB ASP 42 1HB ASP 42 7.183 13.120 -3.051 312 2HB ASP 42 2HB ASP 42 7.105 13.985 -1.515 313 H TYR 43 H TYR 43 10.793 13.465 -0.334 314 HA TYR 43 HA TYR 43 10.202 10.724 0.510 315 1HB TYR 43 1HB TYR 43 12.014 12.913 1.579 316 2HB TYR 43 2HB TYR 43 12.032 11.241 2.138 317 HD1 TYR 43 HD1 TYR 43 13.269 13.550 -0.304 318 HD2 TYR 43 HD2 TYR 43 12.406 9.392 0.357 319 HE1 TYR 43 HE1 TYR 43 14.763 12.939 -2.187 320 HE2 TYR 43 HE2 TYR 43 13.901 8.783 -1.525 321 HH TYR 43 HH TYR 43 16.135 10.829 -2.832 322 H GLN 44 H GLN 44 7.826 11.922 0.871 323 HA GLN 44 HA GLN 44 7.687 12.390 3.831 324 1HB GLN 44 1HB GLN 44 5.836 14.052 3.183 325 2HB GLN 44 2HB GLN 44 7.487 14.541 2.805 326 1HG GLN 44 1HG GLN 44 7.217 13.792 0.492 327 2HG GLN 44 2HG GLN 44 5.594 13.202 0.851 328 1HE2 GLN 44 2HE2 GLN 44 7.259 16.289 1.716 329 2HE2 GLN 44 1HE2 GLN 44 6.057 17.290 1.055 330 H LYS 45 H LYS 45 5.252 12.216 4.508 331 HA LYS 45 HA LYS 45 4.299 9.643 4.273 332 1HB LYS 45 1HB LYS 45 2.018 10.778 4.667 333 2HB LYS 45 2HB LYS 45 3.299 11.122 5.827 334 1HG LYS 45 1HG LYS 45 3.815 13.223 4.661 335 2HG LYS 45 2HG LYS 45 2.578 12.869 3.453 336 1HD LYS 45 1HD LYS 45 0.831 13.275 4.922 337 2HD LYS 45 2HD LYS 45 1.792 12.864 6.343 338 1HE LYS 45 1HE LYS 45 3.191 14.995 5.682 339 2HE LYS 45 2HE LYS 45 1.717 15.445 4.801 340 1HZ LYS 45 1HZ LYS 45 2.049 15.875 7.415 341 2HZ LYS 45 2HZ LYS 45 1.313 14.345 7.455 342 3HZ LYS 45 3HZ LYS 45 0.533 15.645 6.690 343 H CYS 46 H CYS 46 3.239 8.451 2.746 344 HA CYS 46 HA CYS 46 3.181 9.101 0.011 345 1HB CYS 46 1HB CYS 46 1.441 7.279 1.695 346 2HB CYS 46 2HB CYS 46 1.548 7.196 -0.059 347 H ALA 47 H ALA 47 0.698 9.541 2.495 348 HA ALA 47 HA ALA 47 -1.113 10.853 0.523 349 1HB ALA 47 1HB ALA 47 -2.197 10.703 3.143 350 2HB ALA 47 2HB ALA 47 -1.341 9.191 2.848 351 3HB ALA 47 3HB ALA 47 -2.616 9.712 1.748 352 H THR 48 H THR 48 1.122 12.421 1.117 353 HA THR 48 HA THR 48 1.100 14.139 3.294 354 HB THR 48 HB THR 48 1.505 15.216 0.524 355 HG1 THR 48 1HG THR 48 3.368 13.504 1.755 356 1HG2 THR 48 1HG2 THR 48 3.692 15.389 2.422 357 2HG2 THR 48 2HG2 THR 48 2.197 16.009 3.119 358 3HG2 THR 48 3HG2 THR 48 2.814 16.686 1.612 359 H ALA 49 H ALA 49 0.552 16.705 2.658 360 HA ALA 49 HA ALA 49 -2.337 16.871 2.880 361 1HB ALA 49 1HB ALA 49 -0.396 18.344 3.826 362 2HB ALA 49 2HB ALA 49 -1.888 19.140 3.326 363 3HB ALA 49 3HB ALA 49 -0.479 19.163 2.267 364 H GLY 50 H GLY 50 -0.280 16.613 0.195 365 1HA GLY 50 1HA GLY 50 -2.506 17.383 -1.612 366 2HA GLY 50 2HA GLY 50 -0.944 18.172 -1.868 367 H CYS 51 H CYS 51 -0.863 15.033 -0.574 368 HA CYS 51 HA CYS 51 0.267 13.955 -3.093 369 1HB CYS 51 1HB CYS 51 0.618 13.850 -0.177 370 2HB CYS 51 2HB CYS 51 0.818 12.308 -0.943 371 H HIS 52 H HIS 52 -0.312 11.248 -1.494 372 HA HIS 52 HA HIS 52 -2.768 10.628 -2.949 373 1HB HIS 52 1HB HIS 52 -0.996 9.146 -0.993 374 2HB HIS 52 2HB HIS 52 -2.366 8.403 -1.793 375 HD1 HIS 52 HD1 HIS 52 -2.262 8.754 -4.516 376 HD2 HIS 52 HD2 HIS 52 1.337 8.860 -2.450 377 HE1 HIS 52 HE1 HIS 52 -0.446 8.348 -6.241 378 H ASP 53 H ASP 53 -3.566 12.649 -1.371 379 HA ASP 53 HA ASP 53 -4.627 11.521 1.171 380 1HB ASP 53 1HB ASP 53 -3.399 13.648 1.201 381 2HB ASP 53 2HB ASP 53 -4.525 14.324 0.025 382 H ASN 54 H ASN 54 -5.772 10.986 -1.672 383 HA ASN 54 HA ASN 54 -8.359 12.368 -1.634 384 1HB ASN 54 1HB ASN 54 -6.793 11.115 -3.512 385 2HB ASN 54 2HB ASN 54 -8.030 9.895 -3.215 386 1HD2 ASN 54 2HD2 ASN 54 -9.693 10.123 -4.699 387 2HD2 ASN 54 1HD2 ASN 54 -10.312 11.602 -5.258 388 H MET 55 H MET 55 -9.693 11.805 0.071 389 HA MET 55 HA MET 55 -9.678 9.127 1.233 390 1HB MET 55 1HB MET 55 -11.409 11.595 1.578 391 2HB MET 55 2HB MET 55 -11.519 10.163 2.602 392 1HG MET 55 1HG MET 55 -8.801 11.298 2.230 393 2HG MET 55 2HG MET 55 -9.921 12.262 3.190 394 1HE MET 55 1HE MET 55 -9.301 8.209 2.859 395 2HE MET 55 2HE MET 55 -7.992 8.266 4.037 396 3HE MET 55 3HE MET 55 -7.923 9.290 2.605 397 H ASP 56 H ASP 56 -10.746 9.918 -1.683 398 HA ASP 56 HA ASP 56 -13.522 8.998 -1.595 399 1HB ASP 56 1HB ASP 56 -12.110 10.570 -3.245 400 2HB ASP 56 2HB ASP 56 -11.872 9.039 -4.088 401 H LYS 57 H LYS 57 -10.404 7.520 -1.768 402 HA LYS 57 HA LYS 57 -9.738 5.280 -2.112 403 1HB LYS 57 1HB LYS 57 -12.617 4.860 -1.263 404 2HB LYS 57 2HB LYS 57 -11.303 3.697 -1.103 405 1HG LYS 57 1HG LYS 57 -10.648 4.633 0.829 406 2HG LYS 57 2HG LYS 57 -10.519 6.214 0.062 407 1HD LYS 57 1HD LYS 57 -12.139 6.362 1.867 408 2HD LYS 57 2HD LYS 57 -12.995 6.487 0.330 409 1HE LYS 57 1HE LYS 57 -13.762 4.216 0.463 410 2HE LYS 57 2HE LYS 57 -12.672 3.864 1.820 411 1HZ LYS 57 1HZ LYS 57 -15.042 4.436 2.433 412 2HZ LYS 57 2HZ LYS 57 -14.699 6.021 1.927 413 3HZ LYS 57 3HZ LYS 57 -13.835 5.332 3.217 414 H LYS 58 H LYS 58 -11.351 6.820 -4.306 415 HA LYS 58 HA LYS 58 -11.801 4.411 -6.022 416 1HB LYS 58 1HB LYS 58 -13.564 6.874 -5.824 417 2HB LYS 58 2HB LYS 58 -13.860 5.462 -6.839 418 1HG LYS 58 1HG LYS 58 -13.436 4.479 -4.220 419 2HG LYS 58 2HG LYS 58 -14.530 5.854 -4.064 420 1HD LYS 58 1HD LYS 58 -15.119 4.030 -6.319 421 2HD LYS 58 2HD LYS 58 -15.355 3.341 -4.712 422 1HE LYS 58 1HE LYS 58 -16.480 6.050 -5.475 423 2HE LYS 58 2HE LYS 58 -17.392 4.543 -5.692 424 1HZ LYS 58 1HZ LYS 58 -17.453 4.137 -3.458 425 2HZ LYS 58 2HZ LYS 58 -17.481 5.835 -3.427 426 3HZ LYS 58 3HZ LYS 58 -16.029 5.001 -3.136 427 H ASP 59 H ASP 59 -10.073 7.190 -5.584 428 HA ASP 59 HA ASP 59 -10.166 8.327 -8.268 429 1HB ASP 59 1HB ASP 59 -9.557 9.788 -6.518 430 2HB ASP 59 2HB ASP 59 -8.469 8.606 -5.791 431 H LYS 60 H LYS 60 -9.501 6.924 -9.896 432 HA LYS 60 HA LYS 60 -7.328 5.010 -9.529 433 1HB LYS 60 1HB LYS 60 -9.293 5.853 -11.583 434 2HB LYS 60 2HB LYS 60 -7.799 5.158 -12.211 435 1HG LYS 60 1HG LYS 60 -9.680 3.500 -11.729 436 2HG LYS 60 2HG LYS 60 -8.120 3.127 -10.998 437 1HD LYS 60 1HD LYS 60 -8.905 4.271 -8.900 438 2HD LYS 60 2HD LYS 60 -10.500 4.419 -9.639 439 1HE LYS 60 1HE LYS 60 -10.463 1.893 -9.972 440 2HE LYS 60 2HE LYS 60 -9.026 1.866 -8.930 441 1HZ LYS 60 1HZ LYS 60 -10.851 1.641 -7.481 442 2HZ LYS 60 2HZ LYS 60 -11.741 2.855 -8.268 443 3HZ LYS 60 3HZ LYS 60 -10.376 3.264 -7.343 444 H SER 61 H SER 61 -7.230 8.283 -9.765 445 HA SER 61 HA SER 61 -5.149 8.615 -11.794 446 1HB SER 61 1HB SER 61 -6.586 10.280 -9.755 447 2HB SER 61 2HB SER 61 -5.114 10.917 -10.480 448 HG SER 61 HG SER 61 -6.272 10.132 -12.527 449 H ALA 62 H ALA 62 -3.352 10.312 -10.491 450 HA ALA 62 HA ALA 62 -1.845 8.363 -8.812 451 1HB ALA 62 1HB ALA 62 -1.207 9.929 -10.984 452 2HB ALA 62 2HB ALA 62 -0.029 9.248 -9.863 453 3HB ALA 62 3HB ALA 62 -0.600 10.902 -9.644 454 H LYS 63 H LYS 63 -4.116 10.070 -7.780 455 HA LYS 63 HA LYS 63 -2.568 11.521 -5.654 456 1HB LYS 63 1HB LYS 63 -3.885 12.765 -7.632 457 2HB LYS 63 2HB LYS 63 -5.252 12.488 -6.551 458 1HG LYS 63 1HG LYS 63 -4.586 14.369 -5.484 459 2HG LYS 63 2HG LYS 63 -3.278 13.383 -4.828 460 1HD LYS 63 1HD LYS 63 -1.824 14.739 -5.888 461 2HD LYS 63 2HD LYS 63 -2.437 14.101 -7.414 462 1HE LYS 63 1HE LYS 63 -4.056 15.870 -7.606 463 2HE LYS 63 2HE LYS 63 -3.750 16.411 -5.944 464 1HZ LYS 63 1HZ LYS 63 -1.427 16.810 -6.569 465 2HZ LYS 63 2HZ LYS 63 -2.493 17.766 -7.482 466 3HZ LYS 63 3HZ LYS 63 -1.782 16.387 -8.173 467 H GLY 64 H GLY 64 -4.601 8.984 -6.263 468 1HA GLY 64 1HA GLY 64 -6.425 9.368 -4.005 469 2HA GLY 64 2HA GLY 64 -6.344 7.945 -5.036 470 H TYR 65 H TYR 65 -6.415 7.997 -2.142 471 HA TYR 65 HA TYR 65 -3.682 7.246 -1.291 472 1HB TYR 65 1HB TYR 65 -5.330 8.664 0.033 473 2HB TYR 65 2HB TYR 65 -6.283 7.196 0.256 474 HD1 TYR 65 HD1 TYR 65 -5.957 6.166 2.305 475 HD2 TYR 65 HD2 TYR 65 -2.632 8.078 0.379 476 HE1 TYR 65 HE1 TYR 65 -4.478 5.472 4.172 477 HE2 TYR 65 HE2 TYR 65 -1.153 7.387 2.244 478 HH TYR 65 HH TYR 65 -1.277 5.351 4.023 479 H TYR 66 H TYR 66 -6.723 5.716 -2.172 480 HA TYR 66 HA TYR 66 -5.791 3.104 -1.112 481 1HB TYR 66 1HB TYR 66 -8.027 3.482 -0.576 482 2HB TYR 66 2HB TYR 66 -8.337 4.354 -2.076 483 HD1 TYR 66 HD1 TYR 66 -8.534 1.189 -0.399 484 HD2 TYR 66 HD2 TYR 66 -8.286 3.039 -4.262 485 HE1 TYR 66 HE1 TYR 66 -9.379 -0.894 -1.445 486 HE2 TYR 66 HE2 TYR 66 -9.139 0.956 -5.317 487 HH TYR 66 HH TYR 66 -10.566 -1.041 -4.548 488 H HIS 67 H HIS 67 -5.525 4.904 -3.941 489 HA HIS 67 HA HIS 67 -5.778 2.651 -5.835 490 1HB HIS 67 1HB HIS 67 -6.473 4.773 -6.640 491 2HB HIS 67 2HB HIS 67 -5.055 5.580 -5.969 492 HD1 HIS 67 HD1 HIS 67 -5.916 2.998 -8.626 493 HD2 HIS 67 HD2 HIS 67 -2.929 5.767 -7.746 494 HE1 HIS 67 HE1 HIS 67 -4.291 2.935 -10.563 495 H ALA 68 H ALA 68 -3.119 4.982 -5.330 496 HA ALA 68 HA ALA 68 -1.042 3.496 -6.448 497 1HB ALA 68 1HB ALA 68 0.379 4.870 -4.869 498 2HB ALA 68 2HB ALA 68 -1.108 5.377 -4.070 499 3HB ALA 68 3HB ALA 68 -0.824 5.805 -5.758 500 H MET 69 H MET 69 -2.716 2.826 -3.467 501 HA MET 69 HA MET 69 -0.514 1.177 -2.398 502 1HB MET 69 1HB MET 69 -3.321 1.798 -1.459 503 2HB MET 69 2HB MET 69 -2.113 0.930 -0.515 504 1HG MET 69 1HG MET 69 -1.053 3.413 -1.601 505 2HG MET 69 2HG MET 69 -2.459 3.694 -0.578 506 1HE MET 69 1HE MET 69 1.625 3.442 0.354 507 2HE MET 69 2HE MET 69 0.599 4.770 0.890 508 3HE MET 69 3HE MET 69 0.534 4.238 -0.789 509 H HIS 70 H HIS 70 -3.852 0.645 -3.599 510 HA HIS 70 HA HIS 70 -3.374 -2.278 -3.442 511 1HB HIS 70 1HB HIS 70 -5.830 -0.706 -4.265 512 2HB HIS 70 2HB HIS 70 -5.776 -2.403 -3.785 513 HD1 HIS 70 HD1 HIS 70 -6.007 1.014 -2.435 514 HD2 HIS 70 HD2 HIS 70 -5.128 -2.777 -0.952 515 HE1 HIS 70 HE1 HIS 70 -6.194 1.173 0.083 516 H ASP 71 H ASP 71 -3.404 0.295 -5.764 517 HA ASP 71 HA ASP 71 -3.981 -1.405 -8.078 518 1HB ASP 71 1HB ASP 71 -3.021 1.432 -7.643 519 2HB ASP 71 2HB ASP 71 -3.343 0.760 -9.235 520 H LYS 72 H LYS 72 -2.468 -2.710 -9.003 521 HA LYS 72 HA LYS 72 0.365 -2.504 -8.286 522 1HB LYS 72 1HB LYS 72 -1.014 -4.255 -10.338 523 2HB LYS 72 2HB LYS 72 0.510 -4.581 -9.513 524 1HG LYS 72 1HG LYS 72 -0.540 -5.425 -7.701 525 2HG LYS 72 2HG LYS 72 -1.673 -4.075 -7.637 526 1HD LYS 72 1HD LYS 72 -2.148 -5.851 -9.919 527 2HD LYS 72 2HD LYS 72 -2.313 -6.670 -8.365 528 1HE LYS 72 1HE LYS 72 -4.396 -5.763 -8.262 529 2HE LYS 72 2HE LYS 72 -3.596 -4.203 -7.987 530 1HZ LYS 72 1HZ LYS 72 -3.759 -5.260 -10.722 531 2HZ LYS 72 2HZ LYS 72 -3.695 -3.647 -10.192 532 3HZ LYS 72 3HZ LYS 72 -5.138 -4.534 -10.053 533 H GLY 73 H GLY 73 -1.465 -2.360 -11.352 534 1HA GLY 73 1HA GLY 73 0.784 -1.508 -12.928 535 2HA GLY 73 2HA GLY 73 -0.908 -1.374 -13.413 536 H THR 74 H THR 74 1.214 0.118 -10.943 537 HA THR 74 HA THR 74 -0.092 2.744 -11.548 538 HB THR 74 HB THR 74 1.054 3.218 -9.246 539 HG1 THR 74 1HG THR 74 0.903 0.408 -9.098 540 1HG2 THR 74 1HG2 THR 74 -1.316 3.073 -9.316 541 2HG2 THR 74 2HG2 THR 74 -0.827 1.911 -8.081 542 3HG2 THR 74 3HG2 THR 74 -1.276 1.350 -9.693 543 H LYS 75 H LYS 75 1.372 4.651 -11.483 544 HA LYS 75 HA LYS 75 3.497 4.731 -13.213 545 1HB LYS 75 1HB LYS 75 2.313 6.512 -11.651 546 2HB LYS 75 2HB LYS 75 3.688 6.202 -10.593 547 1HG LYS 75 1HG LYS 75 4.112 8.104 -12.129 548 2HG LYS 75 2HG LYS 75 5.242 6.779 -12.396 549 1HD LYS 75 1HD LYS 75 2.965 6.278 -14.026 550 2HD LYS 75 2HD LYS 75 3.416 7.966 -14.265 551 1HE LYS 75 1HE LYS 75 5.479 5.748 -14.334 552 2HE LYS 75 2HE LYS 75 4.607 6.275 -15.787 553 1HZ LYS 75 1HZ LYS 75 6.800 7.474 -15.066 554 2HZ LYS 75 2HZ LYS 75 5.760 8.306 -14.012 555 3HZ LYS 75 3HZ LYS 75 5.498 8.365 -15.689 556 H PHE 76 H PHE 76 3.671 3.825 -9.774 557 HA PHE 76 HA PHE 76 6.401 2.676 -10.283 558 1HB PHE 76 1HB PHE 76 5.366 4.065 -7.794 559 2HB PHE 76 2HB PHE 76 6.998 3.458 -8.047 560 HD1 PHE 76 HD1 PHE 76 8.433 4.502 -9.854 561 HD2 PHE 76 HD2 PHE 76 4.642 6.136 -8.670 562 HE1 PHE 76 HE1 PHE 76 9.009 6.646 -10.960 563 HE2 PHE 76 HE2 PHE 76 5.217 8.278 -9.774 564 HZ PHE 76 HZ PHE 76 7.395 8.527 -10.916 565 H LYS 77 H LYS 77 6.920 1.127 -8.271 566 HA LYS 77 HA LYS 77 4.826 -0.882 -8.243 567 1HB LYS 77 1HB LYS 77 6.385 -2.031 -6.722 568 2HB LYS 77 2HB LYS 77 7.218 -1.431 -8.154 569 1HG LYS 77 1HG LYS 77 7.800 0.638 -6.782 570 2HG LYS 77 2HG LYS 77 7.228 -0.251 -5.370 571 1HD LYS 77 1HD LYS 77 9.708 -0.458 -5.744 572 2HD LYS 77 2HD LYS 77 8.863 -2.003 -5.737 573 1HE LYS 77 1HE LYS 77 9.126 -0.644 -8.380 574 2HE LYS 77 2HE LYS 77 10.590 -1.377 -7.692 575 1HZ LYS 77 1HZ LYS 77 8.186 -2.950 -7.383 576 2HZ LYS 77 2HZ LYS 77 9.745 -3.432 -7.850 577 3HZ LYS 77 3HZ LYS 77 8.684 -2.759 -8.993 578 H SER 78 H SER 78 3.069 -0.585 -7.105 579 HA SER 78 HA SER 78 2.820 1.266 -4.878 580 1HB SER 78 1HB SER 78 0.483 0.022 -4.936 581 2HB SER 78 2HB SER 78 0.940 1.121 -6.234 582 HG SER 78 HG SER 78 0.290 -1.379 -6.474 583 H CYS 79 H CYS 79 1.593 0.420 -2.856 584 HA CYS 79 HA CYS 79 3.213 -1.347 -1.349 585 1HB CYS 79 1HB CYS 79 0.270 -0.667 -1.054 586 2HB CYS 79 2HB CYS 79 1.333 -1.223 0.237 587 H VAL 80 H VAL 80 -0.128 -2.020 -2.431 588 HA VAL 80 HA VAL 80 0.108 -4.883 -2.113 589 HB VAL 80 HB VAL 80 -1.772 -2.986 -3.524 590 1HG1 VAL 80 1HG1 VAL 80 -3.047 -5.476 -3.260 591 2HG1 VAL 80 2HG1 VAL 80 -1.469 -5.828 -3.964 592 3HG1 VAL 80 3HG1 VAL 80 -2.555 -4.689 -4.761 593 1HG2 VAL 80 1HG2 VAL 80 -2.853 -2.969 -1.532 594 2HG2 VAL 80 2HG2 VAL 80 -1.473 -3.831 -0.857 595 3HG2 VAL 80 3HG2 VAL 80 -2.862 -4.731 -1.463 596 H GLY 81 H GLY 81 0.740 -2.627 -4.743 597 1HA GLY 81 1HA GLY 81 0.884 -4.586 -6.859 598 2HA GLY 81 2HA GLY 81 1.583 -2.966 -6.914 599 H CYS 82 H CYS 82 3.280 -3.146 -4.662 600 HA CYS 82 HA CYS 82 5.509 -4.682 -5.800 601 1HB CYS 82 1HB CYS 82 5.406 -2.369 -4.519 602 2HB CYS 82 2HB CYS 82 5.468 -3.385 -3.083 603 H HIS 83 H HIS 83 3.050 -5.069 -3.417 604 HA HIS 83 HA HIS 83 4.356 -7.121 -1.828 605 1HB HIS 83 1HB HIS 83 1.692 -5.799 -2.113 606 2HB HIS 83 2HB HIS 83 1.749 -7.318 -1.239 607 HD1 HIS 83 HD1 HIS 83 1.264 -5.942 0.994 608 HD2 HIS 83 HD2 HIS 83 4.876 -5.042 -0.881 609 HE1 HIS 83 HE1 HIS 83 2.657 -4.690 2.693 610 H LEU 84 H LEU 84 1.628 -7.235 -4.190 611 HA LEU 84 HA LEU 84 1.374 -10.038 -4.356 612 1HB LEU 84 1HB LEU 84 0.422 -7.686 -5.580 613 2HB LEU 84 2HB LEU 84 1.055 -8.672 -6.893 614 HG LEU 84 HG LEU 84 -0.668 -9.925 -4.785 615 1HD1 LEU 84 1HD1 LEU 84 -1.792 -8.687 -7.302 616 2HD1 LEU 84 2HD1 LEU 84 -1.761 -7.816 -5.768 617 3HD1 LEU 84 3HD1 LEU 84 -2.672 -9.319 -5.912 618 1HD2 LEU 84 1HD2 LEU 84 -0.119 -11.662 -6.144 619 2HD2 LEU 84 2HD2 LEU 84 0.433 -10.588 -7.429 620 3HD2 LEU 84 3HD2 LEU 84 -1.283 -10.967 -7.273 621 H GLU 85 H GLU 85 3.781 -7.867 -5.704 622 HA GLU 85 HA GLU 85 4.885 -9.865 -7.560 623 1HB GLU 85 1HB GLU 85 5.237 -7.022 -6.821 624 2HB GLU 85 2HB GLU 85 6.714 -7.835 -7.338 625 1HG GLU 85 1HG GLU 85 5.661 -8.535 -9.417 626 2HG GLU 85 2HG GLU 85 4.112 -7.872 -8.892 627 H THR 86 H THR 86 5.868 -8.320 -4.485 628 HA THR 86 HA THR 86 8.324 -9.795 -4.187 629 HB THR 86 HB THR 86 6.475 -8.163 -2.464 630 HG1 THR 86 1HG THR 86 7.946 -7.037 -3.636 631 1HG2 THR 86 1HG2 THR 86 8.928 -9.590 -1.402 632 2HG2 THR 86 2HG2 THR 86 7.273 -10.102 -1.074 633 3HG2 THR 86 3HG2 THR 86 7.841 -8.534 -0.500 634 H ALA 87 H ALA 87 5.101 -10.801 -4.060 635 HA ALA 87 HA ALA 87 5.861 -13.236 -2.481 636 1HB ALA 87 1HB ALA 87 3.160 -11.853 -2.543 637 2HB ALA 87 2HB ALA 87 4.380 -11.544 -1.307 638 3HB ALA 87 3HB ALA 87 3.670 -13.151 -1.462 639 H GLY 88 H GLY 88 5.678 -12.562 -5.471 640 1HA GLY 88 1HA GLY 88 3.363 -13.945 -6.506 641 2HA GLY 88 2HA GLY 88 4.810 -13.535 -7.428 642 H ALA 89 H ALA 89 6.048 -15.091 -4.868 643 HA ALA 89 HA ALA 89 5.677 -17.814 -6.070 644 1HB ALA 89 1HB ALA 89 7.999 -18.085 -6.174 645 2HB ALA 89 2HB ALA 89 8.294 -16.870 -4.931 646 3HB ALA 89 3HB ALA 89 7.833 -16.372 -6.559 647 H ASP 90 H ASP 90 5.191 -15.990 -3.370 648 HA ASP 90 HA ASP 90 5.622 -18.329 -1.557 649 1HB ASP 90 1HB ASP 90 7.292 -16.587 -1.228 650 2HB ASP 90 2HB ASP 90 6.039 -15.366 -1.094 651 H ALA 91 H ALA 91 3.353 -18.789 -2.072 652 HA ALA 91 HA ALA 91 1.072 -17.284 -1.913 653 1HB ALA 91 1HB ALA 91 -0.001 -19.313 -1.037 654 2HB ALA 91 2HB ALA 91 1.559 -19.912 -0.476 655 3HB ALA 91 3HB ALA 91 1.245 -19.752 -2.204 656 H ALA 92 H ALA 92 3.252 -17.934 0.750 657 HA ALA 92 HA ALA 92 1.400 -17.061 2.842 658 1HB ALA 92 1HB ALA 92 4.039 -18.237 2.546 659 2HB ALA 92 2HB ALA 92 2.975 -18.258 3.954 660 3HB ALA 92 3HB ALA 92 4.085 -16.910 3.706 661 H LYS 93 H LYS 93 4.112 -15.705 1.022 662 HA LYS 93 HA LYS 93 4.164 -13.152 2.365 663 1HB LYS 93 1HB LYS 93 5.271 -14.505 -0.020 664 2HB LYS 93 2HB LYS 93 5.196 -12.753 -0.138 665 1HG LYS 93 1HG LYS 93 6.400 -12.571 2.021 666 2HG LYS 93 2HG LYS 93 6.499 -14.331 2.097 667 1HD LYS 93 1HD LYS 93 7.614 -14.158 -0.241 668 2HD LYS 93 2HD LYS 93 7.854 -12.457 0.164 669 1HE LYS 93 1HE LYS 93 8.715 -13.684 2.469 670 2HE LYS 93 2HE LYS 93 9.234 -14.840 1.225 671 1HZ LYS 93 1HZ LYS 93 10.086 -12.901 -0.052 672 2HZ LYS 93 2HZ LYS 93 10.913 -13.174 1.407 673 3HZ LYS 93 3HZ LYS 93 9.773 -11.919 1.295 674 H LYS 94 H LYS 94 2.182 -14.590 -0.109 675 HA LYS 94 HA LYS 94 1.204 -12.102 -1.270 676 1HB LYS 94 1HB LYS 94 1.050 -14.903 -1.705 677 2HB LYS 94 2HB LYS 94 -0.609 -14.329 -1.521 678 1HG LYS 94 1HG LYS 94 -0.208 -12.591 -3.220 679 2HG LYS 94 2HG LYS 94 1.459 -13.139 -3.395 680 1HD LYS 94 1HD LYS 94 -0.918 -14.961 -3.836 681 2HD LYS 94 2HD LYS 94 -0.169 -14.034 -5.137 682 1HE LYS 94 1HE LYS 94 1.882 -15.215 -4.957 683 2HE LYS 94 2HE LYS 94 1.470 -15.847 -3.350 684 1HZ LYS 94 1HZ LYS 94 -0.251 -17.167 -4.255 685 2HZ LYS 94 2HZ LYS 94 1.105 -17.437 -5.243 686 3HZ LYS 94 3HZ LYS 94 -0.145 -16.415 -5.771 687 H LYS 95 H LYS 95 0.183 -14.238 1.365 688 HA LYS 95 HA LYS 95 -2.363 -12.856 1.792 689 1HB LYS 95 1HB LYS 95 -2.643 -14.495 3.468 690 2HB LYS 95 2HB LYS 95 -1.603 -15.308 2.298 691 1HG LYS 95 1HG LYS 95 -0.251 -15.701 4.079 692 2HG LYS 95 2HG LYS 95 0.236 -14.018 3.879 693 1HD LYS 95 1HD LYS 95 -0.975 -13.306 5.690 694 2HD LYS 95 2HD LYS 95 -2.251 -14.498 5.435 695 1HE LYS 95 1HE LYS 95 0.190 -15.887 6.068 696 2HE LYS 95 2HE LYS 95 -0.118 -14.651 7.304 697 1HZ LYS 95 1HZ LYS 95 -1.481 -16.330 8.031 698 2HZ LYS 95 2HZ LYS 95 -1.813 -16.902 6.467 699 3HZ LYS 95 3HZ LYS 95 -2.557 -15.483 7.032 700 H GLU 96 H GLU 96 0.933 -12.462 2.782 701 HA GLU 96 HA GLU 96 0.245 -10.706 5.077 702 1HB GLU 96 1HB GLU 96 2.624 -10.869 5.493 703 2HB GLU 96 2HB GLU 96 2.057 -12.470 5.058 704 1HG GLU 96 1HG GLU 96 2.878 -12.213 2.819 705 2HG GLU 96 2HG GLU 96 3.284 -10.523 3.112 706 H LEU 97 H LEU 97 1.850 -10.615 1.940 707 HA LEU 97 HA LEU 97 2.382 -7.748 1.997 708 1HB LEU 97 1HB LEU 97 2.423 -9.863 -0.161 709 2HB LEU 97 2HB LEU 97 3.076 -8.236 -0.344 710 HG LEU 97 HG LEU 97 4.007 -10.392 1.555 711 1HD1 LEU 97 1HD1 LEU 97 5.508 -10.721 -0.069 712 2HD1 LEU 97 2HD1 LEU 97 6.091 -9.075 0.180 713 3HD1 LEU 97 3HD1 LEU 97 4.825 -9.394 -1.005 714 1HD2 LEU 97 1HD2 LEU 97 4.248 -7.428 1.690 715 2HD2 LEU 97 2HD2 LEU 97 5.717 -8.351 2.004 716 3HD2 LEU 97 3HD2 LEU 97 4.280 -8.617 2.991 717 H THR 98 H THR 98 0.347 -9.674 -0.234 718 HA THR 98 HA THR 98 -1.233 -7.250 -0.829 719 HB THR 98 HB THR 98 -2.266 -8.823 -2.501 720 HG1 THR 98 1HG THR 98 -2.052 -10.806 -1.758 721 1HG2 THR 98 1HG2 THR 98 0.593 -9.259 -2.966 722 2HG2 THR 98 2HG2 THR 98 0.218 -7.603 -2.490 723 3HG2 THR 98 3HG2 THR 98 -0.564 -8.312 -3.902 724 H GLY 99 H GLY 99 -1.522 -10.143 1.085 725 1HA GLY 99 1HA GLY 99 -4.270 -10.553 1.216 726 2HA GLY 99 2HA GLY 99 -3.213 -10.710 2.621 727 H CYS 100 H CYS 100 -5.936 -9.222 1.724 728 HA CYS 100 HA CYS 100 -5.401 -6.524 2.710 729 1HB CYS 100 1HB CYS 100 -8.166 -7.516 2.718 730 2HB CYS 100 2HB CYS 100 -7.505 -6.100 1.947 731 H LYS 101 H LYS 101 -7.611 -9.053 3.892 732 HA LYS 101 HA LYS 101 -7.265 -7.945 6.629 733 1HB LYS 101 1HB LYS 101 -9.198 -10.018 5.545 734 2HB LYS 101 2HB LYS 101 -9.324 -9.173 7.087 735 1HG LYS 101 1HG LYS 101 -9.156 -7.583 4.545 736 2HG LYS 101 2HG LYS 101 -10.695 -8.303 5.018 737 1HD LYS 101 1HD LYS 101 -9.811 -7.181 7.381 738 2HD LYS 101 2HD LYS 101 -9.272 -6.010 6.176 739 1HE LYS 101 1HE LYS 101 -11.598 -5.542 7.001 740 2HE LYS 101 2HE LYS 101 -11.556 -5.874 5.257 741 1HZ LYS 101 1HZ LYS 101 -12.660 -7.780 5.524 742 2HZ LYS 101 2HZ LYS 101 -13.045 -7.238 7.087 743 3HZ LYS 101 3HZ LYS 101 -11.708 -8.256 6.845 744 H GLY 102 H GLY 102 -5.602 -8.911 7.744 745 1HA GLY 102 1HA GLY 102 -4.981 -10.940 9.025 746 2HA GLY 102 2HA GLY 102 -5.403 -11.890 7.600 747 H SER 103 H SER 103 -3.968 -9.293 6.291 748 HA SER 103 HA SER 103 -1.445 -10.709 5.839 749 1HB SER 103 1HB SER 103 -1.077 -8.807 4.312 750 2HB SER 103 2HB SER 103 -2.684 -9.479 4.089 751 HG SER 103 HG SER 103 -2.008 -7.000 4.732 752 H LYS 104 H LYS 104 0.148 -8.295 5.596 753 HA LYS 104 HA LYS 104 0.841 -7.871 8.471 754 1HB LYS 104 1HB LYS 104 2.234 -7.496 5.805 755 2HB LYS 104 2HB LYS 104 2.959 -7.031 7.342 756 1HG LYS 104 1HG LYS 104 1.872 -9.804 7.099 757 2HG LYS 104 2HG LYS 104 3.397 -9.441 6.291 758 1HD LYS 104 1HD LYS 104 4.346 -8.622 8.403 759 2HD LYS 104 2HD LYS 104 2.814 -8.928 9.223 760 1HE LYS 104 1HE LYS 104 3.015 -11.317 8.861 761 2HE LYS 104 2HE LYS 104 4.437 -11.084 7.826 762 1HZ LYS 104 1HZ LYS 104 4.350 -10.012 10.579 763 2HZ LYS 104 2HZ LYS 104 5.706 -10.311 9.600 764 3HZ LYS 104 3HZ LYS 104 4.845 -11.607 10.282 765 H CYS 105 H CYS 105 -0.199 -6.368 5.540 766 HA CYS 105 HA CYS 105 0.304 -3.615 6.326 767 1HB CYS 105 1HB CYS 105 -0.166 -5.113 4.040 768 2HB CYS 105 2HB CYS 105 -1.651 -4.215 4.236 769 H HIS 106 H HIS 106 -2.360 -5.890 6.655 770 HA HIS 106 HA HIS 106 -4.049 -3.682 7.796 771 1HB HIS 106 1HB HIS 106 -4.556 -6.004 5.997 772 2HB HIS 106 2HB HIS 106 -5.843 -5.562 7.119 773 HD1 HIS 106 HD1 HIS 106 -5.281 -2.473 7.093 774 HD2 HIS 106 HD2 HIS 106 -5.726 -4.846 3.674 775 HE1 HIS 106 HE1 HIS 106 -5.849 -0.894 5.202 776 H SER 107 H SER 107 -2.648 -4.413 9.784 777 HA SER 107 HA SER 107 -2.887 -6.917 11.049 778 1HB SER 107 1HB SER 107 -1.607 -4.677 11.594 779 2HB SER 107 2HB SER 107 -3.025 -4.332 12.581 780 HG SER 107 HG SER 107 -1.273 -5.485 13.655 781 HHA HEC 201 HHA HEC 201 5.936 8.588 5.632 782 HHB HEC 201 HHB HEC 201 12.072 9.685 4.854 783 HHC HEC 201 HHC HEC 201 12.520 4.631 1.081 784 HHD HEC 201 HHD HEC 201 6.399 3.543 1.813 785 1HMA HEC 201 1HMA HEC 201 9.779 10.760 7.874 786 2HMA HEC 201 2HMA HEC 201 10.180 11.855 6.548 787 3HMA HEC 201 3HMA HEC 201 11.283 10.546 6.975 788 1HAA HEC 201 1HAA HEC 201 6.450 9.704 7.205 789 2HAA HEC 201 2HAA HEC 201 7.760 10.690 7.850 790 1HBA HEC 201 1HBA HEC 201 6.743 11.522 5.202 791 2HBA HEC 201 2HBA HEC 201 5.609 11.715 6.539 792 1HMB HEC 201 1HMB HEC 201 15.036 8.104 4.555 793 2HMB HEC 201 2HMB HEC 201 15.005 8.991 3.031 794 3HMB HEC 201 3HMB HEC 201 14.016 9.533 4.386 795 HAB HEC 201 HAB HEC 201 14.354 5.426 1.190 796 1HBB HEC 201 1HBB HEC 201 16.595 5.497 2.326 797 2HBB HEC 201 2HBB HEC 201 15.324 4.792 3.324 798 3HBB HEC 201 3HBB HEC 201 15.859 6.446 3.618 799 1HMC HEC 201 1HMC HEC 201 12.130 3.096 -0.100 800 2HMC HEC 201 2HMC HEC 201 11.386 1.601 0.465 801 3HMC HEC 201 3HMC HEC 201 10.784 2.389 -0.992 802 HAC HEC 201 HAC HEC 201 7.090 2.101 0.638 803 1HBC HEC 201 1HBC HEC 201 8.095 0.065 -0.375 804 2HBC HEC 201 2HBC HEC 201 8.692 0.358 1.257 805 3HBC HEC 201 3HBC HEC 201 9.696 0.762 -0.134 806 1HMD HEC 201 1HMD HEC 201 4.575 3.315 3.089 807 2HMD HEC 201 2HMD HEC 201 3.761 4.006 4.492 808 3HMD HEC 201 3HMD HEC 201 3.350 4.565 2.869 809 1HAD HEC 201 1HAD HEC 201 4.230 7.876 5.581 810 2HAD HEC 201 2HAD HEC 201 3.211 7.370 4.238 811 1HBD HEC 201 1HBD HEC 201 2.683 5.301 5.288 812 2HBD HEC 201 2HBD HEC 201 3.975 5.492 6.473 813 HHA HEC 202 HHA HEC 202 1.487 7.733 -9.513 814 HHB HEC 202 HHB HEC 202 2.797 4.103 -4.927 815 HHC HEC 202 HHC HEC 202 4.475 8.917 -1.245 816 HHD HEC 202 HHD HEC 202 2.676 12.916 -5.862 817 1HMA HEC 202 1HMA HEC 202 2.045 2.840 -7.316 818 2HMA HEC 202 2HMA HEC 202 0.344 3.263 -7.512 819 3HMA HEC 202 3HMA HEC 202 1.057 3.207 -5.902 820 1HAA HEC 202 1HAA HEC 202 0.936 5.447 -10.050 821 2HAA HEC 202 2HAA HEC 202 -0.115 4.511 -9.023 822 1HBA HEC 202 1HBA HEC 202 -1.399 6.514 -8.469 823 2HBA HEC 202 2HBA HEC 202 -0.327 7.492 -9.466 824 1HMB HEC 202 1HMB HEC 202 4.577 3.702 -1.610 825 2HMB HEC 202 2HMB HEC 202 2.964 3.445 -2.278 826 3HMB HEC 202 3HMB HEC 202 4.381 3.321 -3.321 827 HAB HEC 202 HAB HEC 202 4.104 6.968 0.052 828 1HBB HEC 202 1HBB HEC 202 6.280 5.138 0.095 829 2HBB HEC 202 2HBB HEC 202 6.344 6.890 0.286 830 3HBB HEC 202 3HBB HEC 202 6.501 6.170 -1.317 831 1HMC HEC 202 1HMC HEC 202 3.914 12.098 -0.511 832 2HMC HEC 202 2HMC HEC 202 5.109 10.812 -0.679 833 3HMC HEC 202 3HMC HEC 202 5.459 12.426 -1.295 834 HAC HEC 202 HAC HEC 202 2.846 14.023 -4.093 835 1HBC HEC 202 1HBC HEC 202 5.023 14.162 -1.980 836 2HBC HEC 202 2HBC HEC 202 4.469 15.452 -3.047 837 3HBC HEC 202 3HBC HEC 202 5.401 14.105 -3.701 838 1HMD HEC 202 1HMD HEC 202 1.328 13.529 -8.105 839 2HMD HEC 202 2HMD HEC 202 1.751 12.983 -9.729 840 3HMD HEC 202 3HMD HEC 202 3.020 13.440 -8.593 841 1HAD HEC 202 1HAD HEC 202 1.843 9.274 -10.739 842 2HAD HEC 202 2HAD HEC 202 1.054 10.839 -10.863 843 1HBD HEC 202 1HBD HEC 202 3.958 10.960 -10.369 844 2HBD HEC 202 2HBD HEC 202 3.501 10.259 -11.921 845 HHA HEC 203 HHA HEC 203 7.145 -6.899 4.616 846 HHB HEC 203 HHB HEC 203 2.766 -2.103 4.883 847 HHC HEC 203 HHC HEC 203 4.675 -0.047 -0.520 848 HHD HEC 203 HHD HEC 203 8.942 -4.663 -0.970 849 1HMA HEC 203 1HMA HEC 203 2.939 -5.121 7.406 850 2HMA HEC 203 2HMA HEC 203 2.250 -3.763 6.517 851 3HMA HEC 203 3HMA HEC 203 3.573 -3.493 7.650 852 1HAA HEC 203 1HAA HEC 203 4.792 -6.187 7.690 853 2HAA HEC 203 2HAA HEC 203 4.558 -7.371 6.410 854 1HBA HEC 203 1HBA HEC 203 6.786 -7.853 6.263 855 2HBA HEC 203 2HBA HEC 203 7.271 -6.188 6.589 856 1HMB HEC 203 1HMB HEC 203 1.374 -0.524 4.307 857 2HMB HEC 203 2HMB HEC 203 2.618 0.578 4.895 858 3HMB HEC 203 3HMB HEC 203 1.623 1.029 3.511 859 HAB HEC 203 HAB HEC 203 2.810 0.806 0.050 860 1HBB HEC 203 1HBB HEC 203 3.060 3.158 1.746 861 2HBB HEC 203 2HBB HEC 203 3.780 2.851 0.167 862 3HBB HEC 203 3HBB HEC 203 4.595 2.297 1.631 863 1HMC HEC 203 1HMC HEC 203 5.656 0.238 -2.277 864 2HMC HEC 203 2HMC HEC 203 7.334 0.107 -2.803 865 3HMC HEC 203 3HMC HEC 203 6.089 -0.876 -3.574 866 HAC HEC 203 HAC HEC 203 9.210 -3.517 -2.593 867 1HBC HEC 203 1HBC HEC 203 9.811 -1.825 -4.131 868 2HBC HEC 203 2HBC HEC 203 9.258 -0.926 -2.719 869 3HBC HEC 203 3HBC HEC 203 8.198 -1.116 -4.111 870 1HMD HEC 203 1HMD HEC 203 10.203 -6.254 -0.483 871 2HMD HEC 203 2HMD HEC 203 9.941 -7.871 0.173 872 3HMD HEC 203 3HMD HEC 203 10.983 -6.732 1.025 873 1HAD HEC 203 1HAD HEC 203 10.005 -7.797 3.475 874 2HAD HEC 203 2HAD HEC 203 8.375 -8.289 3.909 875 1HBD HEC 203 1HBD HEC 203 8.535 -10.041 2.517 876 2HBD HEC 203 2HBD HEC 203 8.773 -8.941 1.158 877 HHA HEC 204 HHA HEC 204 -6.727 2.241 3.879 878 HHB HEC 204 HHB HEC 204 -9.988 -2.011 0.744 879 HHC HEC 204 HHC HEC 204 -4.793 -5.900 0.917 880 HHD HEC 204 HHD HEC 204 -1.441 -0.983 2.706 881 1HMA HEC 204 1HMA HEC 204 -10.983 1.023 0.866 882 2HMA HEC 204 2HMA HEC 204 -11.636 0.554 2.437 883 3HMA HEC 204 3HMA HEC 204 -11.302 -0.676 1.219 884 1HAA HEC 204 1HAA HEC 204 -10.025 2.114 4.329 885 2HAA HEC 204 2HAA HEC 204 -8.520 2.894 3.852 886 1HBA HEC 204 1HBA HEC 204 -9.428 3.432 1.665 887 2HBA HEC 204 2HBA HEC 204 -10.880 2.497 2.002 888 1HMB HEC 204 1HMB HEC 204 -10.515 -3.798 -0.324 889 2HMB HEC 204 2HMB HEC 204 -10.187 -5.523 -0.152 890 3HMB HEC 204 3HMB HEC 204 -9.702 -4.674 -1.622 891 HAB HEC 204 HAB HEC 204 -6.445 -6.943 0.209 892 1HBB HEC 204 1HBB HEC 204 -7.265 -5.733 -2.420 893 2HBB HEC 204 2HBB HEC 204 -6.966 -7.466 -2.280 894 3HBB HEC 204 3HBB HEC 204 -5.680 -6.316 -1.912 895 1HMC HEC 204 1HMC HEC 204 -1.500 -6.184 2.252 896 2HMC HEC 204 2HMC HEC 204 -3.022 -6.655 1.497 897 3HMC HEC 204 3HMC HEC 204 -1.673 -6.113 0.499 898 HAC HEC 204 HAC HEC 204 -0.380 -2.512 2.948 899 1HBC HEC 204 1HBC HEC 204 1.447 -3.175 1.516 900 2HBC HEC 204 2HBC HEC 204 0.154 -2.604 0.461 901 3HBC HEC 204 3HBC HEC 204 0.431 -4.334 0.658 902 1HMD HEC 204 1HMD HEC 204 -0.867 1.099 3.023 903 2HMD HEC 204 2HMD HEC 204 -1.493 2.639 3.610 904 3HMD HEC 204 3HMD HEC 204 -1.276 1.293 4.728 905 1HAD HEC 204 1HAD HEC 204 -3.593 3.832 3.691 906 2HAD HEC 204 2HAD HEC 204 -5.259 3.494 4.151 907 1HBD HEC 204 1HBD HEC 204 -4.078 2.255 6.182 908 2HBD HEC 204 2HBD HEC 204 -2.777 3.382 5.803 Start of MODEL 12 1 1H ALA 1 1H ALA 1 20.945 14.776 3.449 2 2H ALA 1 2H ALA 1 19.657 15.482 2.594 3 3H ALA 1 3H ALA 1 21.021 14.905 1.759 4 HA ALA 1 HA ALA 1 19.417 13.244 1.422 5 1HB ALA 1 1HB ALA 1 21.055 12.477 3.858 6 2HB ALA 1 2HB ALA 1 21.727 12.613 2.233 7 3HB ALA 1 3HB ALA 1 20.493 11.401 2.578 8 HA PRO 2 HA PRO 2 15.979 13.348 4.180 9 1HB PRO 2 1HB PRO 2 14.706 11.081 3.327 10 2HB PRO 2 2HB PRO 2 14.707 12.592 2.403 11 1HG PRO 2 1HG PRO 2 16.336 10.137 2.015 12 2HG PRO 2 2HG PRO 2 15.622 11.218 0.810 13 1HD PRO 2 1HD PRO 2 18.264 11.257 1.507 14 2HD PRO 2 2HD PRO 2 17.388 12.668 0.874 15 H LYS 3 H LYS 3 15.710 12.590 6.267 16 HA LYS 3 HA LYS 3 17.289 10.205 7.080 17 1HB LYS 3 1HB LYS 3 15.780 12.308 8.645 18 2HB LYS 3 2HB LYS 3 16.830 11.072 9.333 19 1HG LYS 3 1HG LYS 3 18.459 12.196 7.424 20 2HG LYS 3 2HG LYS 3 17.543 13.594 7.992 21 1HD LYS 3 1HD LYS 3 18.272 12.024 10.269 22 2HD LYS 3 2HD LYS 3 19.717 12.276 9.289 23 1HE LYS 3 1HE LYS 3 19.534 14.642 9.421 24 2HE LYS 3 2HE LYS 3 17.848 14.560 9.971 25 1HZ LYS 3 1HZ LYS 3 20.314 13.952 11.449 26 2HZ LYS 3 2HZ LYS 3 18.898 13.099 11.840 27 3HZ LYS 3 3HZ LYS 3 18.934 14.793 11.964 28 H ALA 4 H ALA 4 15.828 8.645 6.166 29 HA ALA 4 HA ALA 4 13.111 8.303 6.355 30 1HB ALA 4 1HB ALA 4 15.271 6.738 5.778 31 2HB ALA 4 2HB ALA 4 13.621 6.120 5.876 32 3HB ALA 4 3HB ALA 4 14.703 5.971 7.261 33 HA PRO 5 HA PRO 5 12.301 8.471 10.683 34 1HB PRO 5 1HB PRO 5 9.670 7.714 10.576 35 2HB PRO 5 2HB PRO 5 10.246 9.334 10.151 36 1HG PRO 5 1HG PRO 5 9.372 7.126 8.392 37 2HG PRO 5 2HG PRO 5 9.314 8.873 8.137 38 1HD PRO 5 1HD PRO 5 11.183 7.119 7.025 39 2HD PRO 5 2HD PRO 5 11.315 8.888 7.087 40 H ALA 6 H ALA 6 11.670 6.994 12.438 41 HA ALA 6 HA ALA 6 12.839 4.446 12.310 42 1HB ALA 6 1HB ALA 6 10.530 5.211 14.104 43 2HB ALA 6 2HB ALA 6 12.129 5.930 14.290 44 3HB ALA 6 3HB ALA 6 11.916 4.191 14.490 45 H ASP 7 H ASP 7 11.521 2.390 12.828 46 HA ASP 7 HA ASP 7 9.647 1.913 10.626 47 1HB ASP 7 1HB ASP 7 10.485 0.057 12.863 48 2HB ASP 7 2HB ASP 7 10.003 -0.369 11.224 49 H GLY 8 H GLY 8 7.544 0.858 11.093 50 1HA GLY 8 1HA GLY 8 5.662 0.394 12.511 51 2HA GLY 8 2HA GLY 8 6.424 1.340 13.787 52 H LEU 9 H LEU 9 6.507 2.840 10.710 53 HA LEU 9 HA LEU 9 5.012 5.120 11.536 54 1HB LEU 9 1HB LEU 9 6.535 4.312 9.352 55 2HB LEU 9 2HB LEU 9 4.925 4.542 8.666 56 HG LEU 9 HG LEU 9 5.891 6.621 10.564 57 1HD1 LEU 9 1HD1 LEU 9 7.893 6.540 9.341 58 2HD1 LEU 9 2HD1 LEU 9 6.950 7.717 8.426 59 3HD1 LEU 9 3HD1 LEU 9 7.076 6.052 7.855 60 1HD2 LEU 9 1HD2 LEU 9 4.077 6.359 8.211 61 2HD2 LEU 9 2HD2 LEU 9 4.868 7.922 8.438 62 3HD2 LEU 9 3HD2 LEU 9 3.844 7.253 9.714 63 H LYS 10 H LYS 10 2.848 5.232 11.899 64 HA LYS 10 HA LYS 10 1.115 3.121 10.715 65 1HB LYS 10 1HB LYS 10 1.221 4.734 13.152 66 2HB LYS 10 2HB LYS 10 -0.395 4.657 12.446 67 1HG LYS 10 1HG LYS 10 0.142 2.092 12.209 68 2HG LYS 10 2HG LYS 10 1.322 2.423 13.478 69 1HD LYS 10 1HD LYS 10 -0.405 3.288 14.945 70 2HD LYS 10 2HD LYS 10 -1.609 3.171 13.660 71 1HE LYS 10 1HE LYS 10 -1.617 0.798 13.722 72 2HE LYS 10 2HE LYS 10 -0.089 0.737 14.622 73 1HZ LYS 10 1HZ LYS 10 -2.224 2.306 15.818 74 2HZ LYS 10 2HZ LYS 10 -1.088 1.280 16.555 75 3HZ LYS 10 3HZ LYS 10 -2.468 0.628 15.809 76 H MET 11 H MET 11 0.212 3.667 8.816 77 HA MET 11 HA MET 11 -0.383 6.483 8.135 78 1HB MET 11 1HB MET 11 -1.200 5.224 6.001 79 2HB MET 11 2HB MET 11 0.526 5.214 6.343 80 1HG MET 11 1HG MET 11 -0.970 3.032 7.625 81 2HG MET 11 2HG MET 11 -0.986 2.980 5.865 82 1HE MET 11 1HE MET 11 1.210 2.575 4.342 83 2HE MET 11 2HE MET 11 2.734 3.229 4.933 84 3HE MET 11 3HE MET 11 1.304 4.255 4.887 85 H ASP 12 H ASP 12 -2.190 7.147 9.291 86 HA ASP 12 HA ASP 12 -4.551 5.299 9.348 87 1HB ASP 12 1HB ASP 12 -5.213 7.028 11.173 88 2HB ASP 12 2HB ASP 12 -3.911 5.898 11.521 89 H LYS 13 H LYS 13 -3.607 7.374 7.220 90 HA LYS 13 HA LYS 13 -5.306 9.586 7.041 91 1HB LYS 13 1HB LYS 13 -4.158 7.618 5.074 92 2HB LYS 13 2HB LYS 13 -5.124 8.981 4.515 93 1HG LYS 13 1HG LYS 13 -2.670 9.195 6.287 94 2HG LYS 13 2HG LYS 13 -2.690 9.510 4.549 95 1HD LYS 13 1HD LYS 13 -4.629 11.169 5.132 96 2HD LYS 13 2HD LYS 13 -3.973 11.086 6.766 97 1HE LYS 13 1HE LYS 13 -1.786 11.412 4.928 98 2HE LYS 13 2HE LYS 13 -3.004 12.663 4.606 99 1HZ LYS 13 1HZ LYS 13 -1.722 11.997 7.195 100 2HZ LYS 13 2HZ LYS 13 -3.138 12.930 7.092 101 3HZ LYS 13 3HZ LYS 13 -1.700 13.482 6.376 102 H THR 14 H THR 14 -6.053 6.184 6.576 103 HA THR 14 HA THR 14 -8.901 6.908 5.960 104 HB THR 14 HB THR 14 -8.876 4.538 4.976 105 HG1 THR 14 1HG THR 14 -7.014 3.780 5.927 106 1HG2 THR 14 1HG2 THR 14 -7.119 6.728 3.850 107 2HG2 THR 14 2HG2 THR 14 -8.838 6.488 3.544 108 3HG2 THR 14 3HG2 THR 14 -7.662 5.326 2.926 109 H LYS 15 H LYS 15 -10.439 5.082 6.714 110 HA LYS 15 HA LYS 15 -10.353 4.810 9.544 111 1HB LYS 15 1HB LYS 15 -11.920 3.849 7.239 112 2HB LYS 15 2HB LYS 15 -11.972 2.772 8.635 113 1HG LYS 15 1HG LYS 15 -13.356 4.173 9.723 114 2HG LYS 15 2HG LYS 15 -12.219 5.505 9.518 115 1HD LYS 15 1HD LYS 15 -13.109 5.963 7.284 116 2HD LYS 15 2HD LYS 15 -14.202 4.586 7.417 117 1HE LYS 15 1HE LYS 15 -14.382 6.507 9.661 118 2HE LYS 15 2HE LYS 15 -14.919 7.135 8.091 119 1HZ LYS 15 1HZ LYS 15 -16.578 5.776 9.496 120 2HZ LYS 15 2HZ LYS 15 -15.693 4.426 8.966 121 3HZ LYS 15 3HZ LYS 15 -16.456 5.442 7.837 122 H GLN 16 H GLN 16 -8.864 2.940 7.021 123 HA GLN 16 HA GLN 16 -8.218 0.733 8.930 124 1HB GLN 16 1HB GLN 16 -8.200 1.072 5.924 125 2HB GLN 16 2HB GLN 16 -7.443 -0.318 6.706 126 1HG GLN 16 1HG GLN 16 -9.550 -0.959 7.729 127 2HG GLN 16 2HG GLN 16 -10.331 0.503 7.124 128 1HE2 GLN 16 2HE2 GLN 16 -8.162 -1.895 5.514 129 2HE2 GLN 16 1HE2 GLN 16 -9.233 -2.222 4.238 130 HA PRO 17 HA PRO 17 -4.437 3.377 8.765 131 1HB PRO 17 1HB PRO 17 -3.762 2.959 11.390 132 2HB PRO 17 2HB PRO 17 -4.870 4.241 10.861 133 1HG PRO 17 1HG PRO 17 -5.492 1.554 11.997 134 2HG PRO 17 2HG PRO 17 -6.249 3.120 12.330 135 1HD PRO 17 1HD PRO 17 -7.378 1.290 10.695 136 2HD PRO 17 2HD PRO 17 -7.564 3.040 10.441 137 H VAL 18 H VAL 18 -2.475 2.517 8.216 138 HA VAL 18 HA VAL 18 -1.922 -0.335 8.952 139 HB VAL 18 HB VAL 18 -1.455 1.345 6.480 140 1HG1 VAL 18 1HG1 VAL 18 -0.108 -0.475 5.577 141 2HG1 VAL 18 2HG1 VAL 18 -0.300 -1.396 7.069 142 3HG1 VAL 18 3HG1 VAL 18 0.624 0.106 7.072 143 1HG2 VAL 18 1HG2 VAL 18 -3.400 0.279 5.982 144 2HG2 VAL 18 2HG2 VAL 18 -3.212 -0.863 7.312 145 3HG2 VAL 18 3HG2 VAL 18 -2.400 -1.159 5.775 146 H VAL 19 H VAL 19 0.381 -0.839 9.241 147 HA VAL 19 HA VAL 19 1.958 1.514 10.209 148 HB VAL 19 HB VAL 19 2.016 -1.449 10.866 149 1HG1 VAL 19 1HG1 VAL 19 3.461 0.661 12.437 150 2HG1 VAL 19 2HG1 VAL 19 4.210 0.018 10.975 151 3HG1 VAL 19 3HG1 VAL 19 3.803 -1.064 12.307 152 1HG2 VAL 19 1HG2 VAL 19 1.427 0.673 12.874 153 2HG2 VAL 19 2HG2 VAL 19 0.766 -0.955 12.734 154 3HG2 VAL 19 3HG2 VAL 19 0.171 0.330 11.684 155 H PHE 20 H PHE 20 3.629 2.079 8.819 156 HA PHE 20 HA PHE 20 4.680 -0.006 6.957 157 1HB PHE 20 1HB PHE 20 3.860 2.136 6.021 158 2HB PHE 20 2HB PHE 20 5.013 3.015 7.022 159 HD1 PHE 20 HD1 PHE 20 5.037 0.052 4.717 160 HD2 PHE 20 HD2 PHE 20 6.998 3.658 5.973 161 HE1 PHE 20 HE1 PHE 20 6.805 -0.315 3.020 162 HE2 PHE 20 HE2 PHE 20 8.760 3.291 4.274 163 HZ PHE 20 HZ PHE 20 8.668 1.304 2.799 164 H ASN 21 H ASN 21 6.531 -1.012 7.622 165 HA ASN 21 HA ASN 21 8.306 0.330 9.578 166 1HB ASN 21 1HB ASN 21 7.418 -2.330 8.885 167 2HB ASN 21 2HB ASN 21 9.172 -2.255 8.848 168 1HD2 ASN 21 2HD2 ASN 21 6.580 -0.892 10.965 169 2HD2 ASN 21 1HD2 ASN 21 7.348 -1.313 12.419 170 H HIS 22 H HIS 22 9.497 1.815 8.270 171 HA HIS 22 HA HIS 22 10.461 1.487 5.669 172 1HB HIS 22 1HB HIS 22 11.411 2.874 8.153 173 2HB HIS 22 2HB HIS 22 12.459 2.878 6.736 174 HD1 HIS 22 HD1 HIS 22 9.606 4.601 8.192 175 HD2 HIS 22 HD2 HIS 22 11.005 3.951 4.316 176 HE1 HIS 22 HE1 HIS 22 8.534 6.372 6.740 177 H SER 23 H SER 23 11.708 0.093 8.675 178 HA SER 23 HA SER 23 14.243 -0.825 7.857 179 1HB SER 23 1HB SER 23 13.839 -1.304 10.067 180 2HB SER 23 2HB SER 23 12.122 -1.583 9.790 181 HG SER 23 HG SER 23 14.268 -3.330 9.133 182 H THR 24 H THR 24 11.042 -2.328 7.378 183 HA THR 24 HA THR 24 12.052 -4.653 5.965 184 HB THR 24 HB THR 24 9.378 -4.169 5.252 185 HG1 THR 24 1HG THR 24 9.010 -2.549 6.594 186 1HG2 THR 24 1HG2 THR 24 9.210 -5.625 7.565 187 2HG2 THR 24 2HG2 THR 24 10.904 -5.854 7.127 188 3HG2 THR 24 3HG2 THR 24 9.632 -6.301 5.991 189 H HIS 25 H HIS 25 11.870 -1.405 5.111 190 HA HIS 25 HA HIS 25 11.724 -2.075 2.203 191 1HB HIS 25 1HB HIS 25 10.883 0.402 3.735 192 2HB HIS 25 2HB HIS 25 10.692 0.149 2.003 193 HD1 HIS 25 HD1 HIS 25 9.388 -1.019 5.322 194 HD2 HIS 25 HD2 HIS 25 8.644 -1.690 1.278 195 HE1 HIS 25 HE1 HIS 25 7.254 -2.376 5.204 196 H LYS 26 H LYS 26 13.676 -0.867 4.728 197 HA LYS 26 HA LYS 26 15.213 1.189 3.625 198 1HB LYS 26 1HB LYS 26 16.964 0.355 5.104 199 2HB LYS 26 2HB LYS 26 15.405 0.098 5.889 200 1HG LYS 26 1HG LYS 26 15.404 -2.243 4.965 201 2HG LYS 26 2HG LYS 26 17.050 -1.962 4.396 202 1HD LYS 26 1HD LYS 26 17.301 -1.154 6.972 203 2HD LYS 26 2HD LYS 26 16.052 -2.386 7.157 204 1HE LYS 26 1HE LYS 26 17.909 -3.557 5.415 205 2HE LYS 26 2HE LYS 26 18.896 -2.741 6.643 206 1HZ LYS 26 1HZ LYS 26 16.879 -4.843 6.983 207 2HZ LYS 26 2HZ LYS 26 17.056 -3.693 8.220 208 3HZ LYS 26 3HZ LYS 26 18.376 -4.655 7.755 209 H ALA 27 H ALA 27 14.999 -2.149 2.642 210 HA ALA 27 HA ALA 27 17.428 -1.988 0.948 211 1HB ALA 27 1HB ALA 27 16.947 -4.363 0.592 212 2HB ALA 27 2HB ALA 27 15.360 -4.177 1.340 213 3HB ALA 27 3HB ALA 27 16.820 -3.998 2.314 214 H VAL 28 H VAL 28 14.164 -1.159 0.717 215 HA VAL 28 HA VAL 28 13.745 -1.911 -2.087 216 HB VAL 28 HB VAL 28 12.289 -0.206 -0.051 217 1HG1 VAL 28 1HG1 VAL 28 11.756 0.724 -2.214 218 2HG1 VAL 28 2HG1 VAL 28 10.391 -0.267 -1.700 219 3HG1 VAL 28 3HG1 VAL 28 11.526 -0.886 -2.900 220 1HG2 VAL 28 1HG2 VAL 28 10.907 -2.054 0.272 221 2HG2 VAL 28 2HG2 VAL 28 12.455 -2.841 -0.032 222 3HG2 VAL 28 3HG2 VAL 28 11.259 -2.719 -1.323 223 H LYS 29 H LYS 29 12.996 0.084 -3.538 224 HA LYS 29 HA LYS 29 15.310 1.913 -3.579 225 1HB LYS 29 1HB LYS 29 13.414 0.781 -5.424 226 2HB LYS 29 2HB LYS 29 13.430 2.539 -5.578 227 1HG LYS 29 1HG LYS 29 15.223 2.133 -6.928 228 2HG LYS 29 2HG LYS 29 16.081 2.079 -5.387 229 1HD LYS 29 1HD LYS 29 16.262 -0.226 -5.409 230 2HD LYS 29 2HD LYS 29 14.788 -0.437 -6.355 231 1HE LYS 29 1HE LYS 29 16.675 -0.984 -7.791 232 2HE LYS 29 2HE LYS 29 16.034 0.583 -8.329 233 1HZ LYS 29 1HZ LYS 29 17.680 1.736 -7.133 234 2HZ LYS 29 2HZ LYS 29 18.513 0.489 -7.932 235 3HZ LYS 29 3HZ LYS 29 18.158 0.352 -6.276 236 H CYS 30 H CYS 30 15.077 3.526 -2.127 237 HA CYS 30 HA CYS 30 12.796 4.706 -1.038 238 1HB CYS 30 1HB CYS 30 15.550 5.668 -1.752 239 2HB CYS 30 2HB CYS 30 14.378 6.839 -1.150 240 H GLY 31 H GLY 31 14.048 4.969 -4.274 241 1HA GLY 31 1HA GLY 31 12.335 7.278 -4.939 242 2HA GLY 31 2HA GLY 31 13.446 6.462 -6.043 243 H ASP 32 H ASP 32 12.033 3.883 -4.790 244 HA ASP 32 HA ASP 32 10.151 3.613 -7.022 245 1HB ASP 32 1HB ASP 32 11.716 1.952 -5.428 246 2HB ASP 32 2HB ASP 32 10.077 1.592 -4.897 247 H CYS 33 H CYS 33 10.028 4.115 -3.528 248 HA CYS 33 HA CYS 33 7.059 4.084 -3.512 249 1HB CYS 33 1HB CYS 33 9.311 4.279 -1.510 250 2HB CYS 33 2HB CYS 33 7.679 4.741 -1.031 251 H HIS 34 H HIS 34 9.673 6.337 -2.519 252 HA HIS 34 HA HIS 34 7.867 8.664 -2.824 253 1HB HIS 34 1HB HIS 34 10.766 8.277 -1.994 254 2HB HIS 34 2HB HIS 34 9.970 9.841 -2.040 255 HD1 HIS 34 HD1 HIS 34 7.562 9.820 -0.564 256 HD2 HIS 34 HD2 HIS 34 10.535 7.087 0.473 257 HE1 HIS 34 HE1 HIS 34 7.081 9.098 1.817 258 H HIS 35 H HIS 35 8.242 7.303 -5.254 259 HA HIS 35 HA HIS 35 10.288 7.716 -6.975 260 1HB HIS 35 1HB HIS 35 8.440 8.323 -8.675 261 2HB HIS 35 2HB HIS 35 8.264 6.815 -7.798 262 HD1 HIS 35 HD1 HIS 35 6.981 10.298 -7.926 263 HD2 HIS 35 HD2 HIS 35 6.027 6.715 -6.049 264 HE1 HIS 35 HE1 HIS 35 4.716 10.645 -6.862 265 HA PRO 36 HA PRO 36 11.438 11.889 -7.299 266 1HB PRO 36 1HB PRO 36 11.923 12.143 -9.987 267 2HB PRO 36 2HB PRO 36 12.995 11.264 -8.879 268 1HG PRO 36 1HG PRO 36 10.901 10.203 -10.721 269 2HG PRO 36 2HG PRO 36 12.529 9.585 -10.392 270 1HD PRO 36 1HD PRO 36 10.332 8.487 -9.283 271 2HD PRO 36 2HD PRO 36 11.889 8.558 -8.426 272 H VAL 37 H VAL 37 9.715 13.221 -6.839 273 HA VAL 37 HA VAL 37 7.714 13.770 -8.993 274 HB VAL 37 HB VAL 37 7.795 14.051 -5.986 275 1HG1 VAL 37 1HG1 VAL 37 6.829 16.129 -6.864 276 2HG1 VAL 37 2HG1 VAL 37 5.563 15.131 -6.149 277 3HG1 VAL 37 3HG1 VAL 37 5.745 15.203 -7.902 278 1HG2 VAL 37 1HG2 VAL 37 5.895 12.680 -7.916 279 2HG2 VAL 37 2HG2 VAL 37 5.746 12.670 -6.158 280 3HG2 VAL 37 3HG2 VAL 37 7.119 11.878 -6.932 281 H ASN 38 H ASN 38 7.289 16.031 -9.498 282 HA ASN 38 HA ASN 38 8.058 18.226 -9.998 283 1HB ASN 38 1HB ASN 38 7.370 18.066 -7.518 284 2HB ASN 38 2HB ASN 38 9.083 18.062 -7.171 285 1HD2 ASN 38 2HD2 ASN 38 6.651 20.187 -7.100 286 2HD2 ASN 38 1HD2 ASN 38 7.432 21.596 -7.636 287 H GLY 39 H GLY 39 10.082 15.840 -10.158 288 1HA GLY 39 1HA GLY 39 12.281 15.942 -11.117 289 2HA GLY 39 2HA GLY 39 12.465 17.569 -10.455 290 H LYS 40 H LYS 40 11.151 16.147 -7.919 291 HA LYS 40 HA LYS 40 13.683 14.854 -6.950 292 1HB LYS 40 1HB LYS 40 13.631 16.250 -4.986 293 2HB LYS 40 2HB LYS 40 13.448 17.321 -6.375 294 1HG LYS 40 1HG LYS 40 10.912 17.044 -6.039 295 2HG LYS 40 2HG LYS 40 11.316 16.368 -4.460 296 1HD LYS 40 1HD LYS 40 12.635 18.446 -3.971 297 2HD LYS 40 2HD LYS 40 12.041 19.125 -5.488 298 1HE LYS 40 1HE LYS 40 9.680 18.703 -4.633 299 2HE LYS 40 2HE LYS 40 10.409 18.346 -3.054 300 1HZ LYS 40 1HZ LYS 40 11.424 20.469 -2.992 301 2HZ LYS 40 2HZ LYS 40 9.799 20.737 -3.411 302 3HZ LYS 40 3HZ LYS 40 11.010 20.805 -4.601 303 H GLU 41 H GLU 41 13.323 13.135 -5.500 304 HA GLU 41 HA GLU 41 10.698 11.928 -5.440 305 1HB GLU 41 1HB GLU 41 13.331 11.452 -4.032 306 2HB GLU 41 2HB GLU 41 11.917 10.451 -3.706 307 1HG GLU 41 1HG GLU 41 11.913 9.527 -5.841 308 2HG GLU 41 2HG GLU 41 12.728 10.918 -6.556 309 H ASP 42 H ASP 42 9.060 12.830 -4.218 310 HA ASP 42 HA ASP 42 9.561 14.476 -1.886 311 1HB ASP 42 1HB ASP 42 7.130 13.105 -3.046 312 2HB ASP 42 2HB ASP 42 7.058 14.177 -1.648 313 H TYR 43 H TYR 43 10.666 13.326 -0.298 314 HA TYR 43 HA TYR 43 9.928 10.597 0.442 315 1HB TYR 43 1HB TYR 43 11.683 12.640 1.847 316 2HB TYR 43 2HB TYR 43 11.721 10.891 2.076 317 HD1 TYR 43 HD1 TYR 43 12.682 13.680 -0.088 318 HD2 TYR 43 HD2 TYR 43 12.558 9.400 0.274 319 HE1 TYR 43 HE1 TYR 43 14.282 13.474 -1.969 320 HE2 TYR 43 HE2 TYR 43 14.158 9.196 -1.607 321 HH TYR 43 HH TYR 43 16.060 10.929 -2.598 322 H GLN 44 H GLN 44 7.581 11.914 0.684 323 HA GLN 44 HA GLN 44 7.305 12.491 3.618 324 1HB GLN 44 1HB GLN 44 5.549 13.536 1.386 325 2HB GLN 44 2HB GLN 44 5.702 14.161 3.028 326 1HG GLN 44 1HG GLN 44 8.114 14.090 1.233 327 2HG GLN 44 2HG GLN 44 6.936 15.391 1.067 328 1HE2 GLN 44 2HE2 GLN 44 6.569 16.789 2.988 329 2HE2 GLN 44 1HE2 GLN 44 7.756 16.903 4.195 330 H LYS 45 H LYS 45 5.069 11.988 4.441 331 HA LYS 45 HA LYS 45 4.291 9.347 4.199 332 1HB LYS 45 1HB LYS 45 2.923 11.924 4.857 333 2HB LYS 45 2HB LYS 45 1.930 10.474 4.722 334 1HG LYS 45 1HG LYS 45 2.943 9.440 6.533 335 2HG LYS 45 2HG LYS 45 4.452 10.332 6.329 336 1HD LYS 45 1HD LYS 45 3.446 12.356 7.194 337 2HD LYS 45 2HD LYS 45 1.851 11.603 7.228 338 1HE LYS 45 1HE LYS 45 2.664 9.965 8.908 339 2HE LYS 45 2HE LYS 45 4.250 10.761 8.896 340 1HZ LYS 45 1HZ LYS 45 2.293 11.506 10.525 341 2HZ LYS 45 2HZ LYS 45 1.928 12.491 9.190 342 3HZ LYS 45 3HZ LYS 45 3.454 12.590 9.931 343 H CYS 46 H CYS 46 3.376 8.147 2.594 344 HA CYS 46 HA CYS 46 3.055 8.796 -0.039 345 1HB CYS 46 1HB CYS 46 1.260 7.062 1.666 346 2HB CYS 46 2HB CYS 46 1.392 6.948 -0.083 347 H ALA 47 H ALA 47 0.560 9.279 2.454 348 HA ALA 47 HA ALA 47 -1.185 10.669 0.497 349 1HB ALA 47 1HB ALA 47 -1.434 9.146 2.919 350 2HB ALA 47 2HB ALA 47 -2.706 9.662 1.811 351 3HB ALA 47 3HB ALA 47 -2.210 10.712 3.137 352 H THR 48 H THR 48 1.103 12.165 0.878 353 HA THR 48 HA THR 48 1.321 13.955 2.972 354 HB THR 48 HB THR 48 1.535 15.128 0.277 355 HG1 THR 48 1HG THR 48 2.931 12.763 0.976 356 1HG2 THR 48 1HG2 THR 48 2.645 15.866 2.474 357 2HG2 THR 48 2HG2 THR 48 3.685 15.766 1.052 358 3HG2 THR 48 3HG2 THR 48 3.715 14.480 2.260 359 H ALA 49 H ALA 49 0.591 16.259 3.033 360 HA ALA 49 HA ALA 49 -2.271 16.476 2.968 361 1HB ALA 49 1HB ALA 49 -0.124 17.816 4.059 362 2HB ALA 49 2HB ALA 49 -1.795 18.374 4.121 363 3HB ALA 49 3HB ALA 49 -0.713 18.965 2.861 364 H GLY 50 H GLY 50 -2.125 15.650 0.556 365 1HA GLY 50 1HA GLY 50 -3.387 16.930 -1.308 366 2HA GLY 50 2HA GLY 50 -1.974 17.988 -1.296 367 H CYS 51 H CYS 51 -1.709 14.540 -0.765 368 HA CYS 51 HA CYS 51 -0.419 14.262 -3.452 369 1HB CYS 51 1HB CYS 51 0.661 14.186 -0.888 370 2HB CYS 51 2HB CYS 51 0.504 12.489 -1.313 371 H HIS 52 H HIS 52 -1.051 11.790 -0.986 372 HA HIS 52 HA HIS 52 -2.923 10.448 -2.901 373 1HB HIS 52 1HB HIS 52 -0.917 9.466 -0.874 374 2HB HIS 52 2HB HIS 52 -2.163 8.412 -1.490 375 HD1 HIS 52 HD1 HIS 52 -2.253 8.864 -4.346 376 HD2 HIS 52 HD2 HIS 52 1.378 8.966 -2.334 377 HE1 HIS 52 HE1 HIS 52 -0.462 8.407 -6.090 378 H ASP 53 H ASP 53 -3.704 12.521 -1.013 379 HA ASP 53 HA ASP 53 -4.914 11.089 1.279 380 1HB ASP 53 1HB ASP 53 -3.697 13.281 1.454 381 2HB ASP 53 2HB ASP 53 -4.979 14.012 0.488 382 H ASN 54 H ASN 54 -5.977 10.662 -1.545 383 HA ASN 54 HA ASN 54 -8.548 12.081 -1.586 384 1HB ASN 54 1HB ASN 54 -6.937 10.837 -3.427 385 2HB ASN 54 2HB ASN 54 -8.181 9.617 -3.179 386 1HD2 ASN 54 2HD2 ASN 54 -9.740 9.861 -4.785 387 2HD2 ASN 54 1HD2 ASN 54 -10.366 11.347 -5.317 388 H MET 55 H MET 55 -9.893 11.514 0.122 389 HA MET 55 HA MET 55 -9.955 8.805 1.205 390 1HB MET 55 1HB MET 55 -11.647 11.291 1.611 391 2HB MET 55 2HB MET 55 -11.759 9.841 2.607 392 1HG MET 55 1HG MET 55 -9.229 11.466 2.217 393 2HG MET 55 2HG MET 55 -10.289 11.583 3.622 394 1HE MET 55 1HE MET 55 -7.870 8.338 1.891 395 2HE MET 55 2HE MET 55 -6.830 9.432 2.798 396 3HE MET 55 3HE MET 55 -7.924 10.078 1.576 397 H ASP 56 H ASP 56 -10.711 9.126 -1.677 398 HA ASP 56 HA ASP 56 -13.609 8.426 -1.620 399 1HB ASP 56 1HB ASP 56 -12.176 10.100 -3.204 400 2HB ASP 56 2HB ASP 56 -12.052 8.616 -4.148 401 H LYS 57 H LYS 57 -10.517 7.001 -1.697 402 HA LYS 57 HA LYS 57 -9.760 4.828 -2.245 403 1HB LYS 57 1HB LYS 57 -12.618 4.155 -1.519 404 2HB LYS 57 2HB LYS 57 -11.183 3.172 -1.246 405 1HG LYS 57 1HG LYS 57 -10.511 4.416 0.571 406 2HG LYS 57 2HG LYS 57 -11.227 5.904 -0.046 407 1HD LYS 57 1HD LYS 57 -13.457 4.365 0.304 408 2HD LYS 57 2HD LYS 57 -12.438 3.788 1.624 409 1HE LYS 57 1HE LYS 57 -12.197 6.022 2.518 410 2HE LYS 57 2HE LYS 57 -12.981 6.729 1.092 411 1HZ LYS 57 1HZ LYS 57 -14.890 5.158 1.645 412 2HZ LYS 57 2HZ LYS 57 -14.702 6.525 2.636 413 3HZ LYS 57 3HZ LYS 57 -14.174 5.002 3.175 414 H LYS 58 H LYS 58 -11.257 6.441 -4.389 415 HA LYS 58 HA LYS 58 -11.846 4.114 -6.182 416 1HB LYS 58 1HB LYS 58 -13.788 5.285 -6.993 417 2HB LYS 58 2HB LYS 58 -13.867 5.338 -5.231 418 1HG LYS 58 1HG LYS 58 -14.190 7.573 -5.594 419 2HG LYS 58 2HG LYS 58 -12.429 7.586 -5.696 420 1HD LYS 58 1HD LYS 58 -13.064 8.694 -7.665 421 2HD LYS 58 2HD LYS 58 -12.809 7.038 -8.218 422 1HE LYS 58 1HE LYS 58 -15.223 6.585 -8.058 423 2HE LYS 58 2HE LYS 58 -15.501 8.231 -7.455 424 1HZ LYS 58 1HZ LYS 58 -14.163 7.584 -10.028 425 2HZ LYS 58 2HZ LYS 58 -14.562 9.133 -9.454 426 3HZ LYS 58 3HZ LYS 58 -15.790 8.042 -9.888 427 H ASP 59 H ASP 59 -10.506 7.326 -5.755 428 HA ASP 59 HA ASP 59 -10.130 8.148 -8.433 429 1HB ASP 59 1HB ASP 59 -9.659 9.641 -6.641 430 2HB ASP 59 2HB ASP 59 -8.574 8.488 -5.864 431 H LYS 60 H LYS 60 -9.405 6.596 -9.909 432 HA LYS 60 HA LYS 60 -7.224 4.748 -9.262 433 1HB LYS 60 1HB LYS 60 -9.099 5.350 -11.502 434 2HB LYS 60 2HB LYS 60 -7.601 4.519 -11.923 435 1HG LYS 60 1HG LYS 60 -9.522 3.615 -9.758 436 2HG LYS 60 2HG LYS 60 -9.446 2.932 -11.382 437 1HD LYS 60 1HD LYS 60 -6.794 2.904 -10.493 438 2HD LYS 60 2HD LYS 60 -7.737 2.405 -9.088 439 1HE LYS 60 1HE LYS 60 -8.004 0.356 -10.009 440 2HE LYS 60 2HE LYS 60 -8.815 1.092 -11.405 441 1HZ LYS 60 1HZ LYS 60 -6.951 0.248 -12.407 442 2HZ LYS 60 2HZ LYS 60 -5.972 0.453 -11.034 443 3HZ LYS 60 3HZ LYS 60 -6.384 1.793 -11.994 444 H SER 61 H SER 61 -7.102 7.951 -9.705 445 HA SER 61 HA SER 61 -5.011 8.132 -11.765 446 1HB SER 61 1HB SER 61 -6.820 9.840 -10.286 447 2HB SER 61 2HB SER 61 -5.188 10.497 -10.230 448 HG SER 61 HG SER 61 -5.464 11.067 -12.223 449 H ALA 62 H ALA 62 -3.366 10.076 -10.471 450 HA ALA 62 HA ALA 62 -1.779 8.289 -8.692 451 1HB ALA 62 1HB ALA 62 -0.022 9.231 -9.781 452 2HB ALA 62 2HB ALA 62 -0.635 10.860 -9.504 453 3HB ALA 62 3HB ALA 62 -1.216 9.921 -10.879 454 H LYS 63 H LYS 63 -4.207 9.918 -7.815 455 HA LYS 63 HA LYS 63 -2.815 11.508 -5.685 456 1HB LYS 63 1HB LYS 63 -4.277 12.505 -7.771 457 2HB LYS 63 2HB LYS 63 -5.526 12.323 -6.539 458 1HG LYS 63 1HG LYS 63 -3.129 13.437 -5.367 459 2HG LYS 63 2HG LYS 63 -3.638 14.409 -6.749 460 1HD LYS 63 1HD LYS 63 -5.923 13.611 -5.146 461 2HD LYS 63 2HD LYS 63 -4.736 14.474 -4.168 462 1HE LYS 63 1HE LYS 63 -4.944 15.836 -6.678 463 2HE LYS 63 2HE LYS 63 -6.583 15.586 -6.045 464 1HZ LYS 63 1HZ LYS 63 -4.311 16.568 -4.405 465 2HZ LYS 63 2HZ LYS 63 -5.945 16.483 -3.949 466 3HZ LYS 63 3HZ LYS 63 -5.448 17.592 -5.137 467 H GLY 64 H GLY 64 -4.724 8.849 -6.288 468 1HA GLY 64 1HA GLY 64 -6.581 9.177 -4.052 469 2HA GLY 64 2HA GLY 64 -6.415 7.741 -5.053 470 H TYR 65 H TYR 65 -6.489 7.957 -2.124 471 HA TYR 65 HA TYR 65 -3.753 7.349 -1.214 472 1HB TYR 65 1HB TYR 65 -5.553 8.609 0.081 473 2HB TYR 65 2HB TYR 65 -6.394 7.067 0.245 474 HD1 TYR 65 HD1 TYR 65 -6.111 6.234 2.399 475 HD2 TYR 65 HD2 TYR 65 -2.763 7.996 0.377 476 HE1 TYR 65 HE1 TYR 65 -4.635 5.588 4.283 477 HE2 TYR 65 HE2 TYR 65 -1.285 7.355 2.260 478 HH TYR 65 HH TYR 65 -1.407 5.433 4.111 479 H TYR 66 H TYR 66 -6.625 5.601 -2.222 480 HA TYR 66 HA TYR 66 -5.589 3.061 -1.095 481 1HB TYR 66 1HB TYR 66 -7.871 3.343 -0.687 482 2HB TYR 66 2HB TYR 66 -8.145 4.153 -2.227 483 HD1 TYR 66 HD1 TYR 66 -8.537 1.125 -0.459 484 HD2 TYR 66 HD2 TYR 66 -7.653 2.686 -4.358 485 HE1 TYR 66 HE1 TYR 66 -9.236 -1.028 -1.475 486 HE2 TYR 66 HE2 TYR 66 -8.356 0.531 -5.382 487 HH TYR 66 HH TYR 66 -10.191 -1.632 -4.024 488 H HIS 67 H HIS 67 -6.171 4.680 -4.193 489 HA HIS 67 HA HIS 67 -5.834 2.467 -5.951 490 1HB HIS 67 1HB HIS 67 -6.621 4.520 -6.828 491 2HB HIS 67 2HB HIS 67 -5.307 5.435 -6.088 492 HD1 HIS 67 HD1 HIS 67 -5.865 2.835 -8.803 493 HD2 HIS 67 HD2 HIS 67 -3.074 5.736 -7.727 494 HE1 HIS 67 HE1 HIS 67 -4.130 2.875 -10.643 495 H ALA 68 H ALA 68 -3.337 4.966 -5.485 496 HA ALA 68 HA ALA 68 -1.136 3.634 -6.490 497 1HB ALA 68 1HB ALA 68 -0.170 4.990 -4.254 498 2HB ALA 68 2HB ALA 68 -1.710 5.782 -4.594 499 3HB ALA 68 3HB ALA 68 -0.469 5.698 -5.843 500 H MET 69 H MET 69 -2.789 2.868 -3.491 501 HA MET 69 HA MET 69 -0.503 1.291 -2.484 502 1HB MET 69 1HB MET 69 -3.297 1.847 -1.472 503 2HB MET 69 2HB MET 69 -2.060 0.978 -0.565 504 1HG MET 69 1HG MET 69 -1.024 3.470 -1.635 505 2HG MET 69 2HG MET 69 -2.431 3.748 -0.612 506 1HE MET 69 1HE MET 69 1.587 3.584 0.128 507 2HE MET 69 2HE MET 69 0.676 4.750 1.085 508 3HE MET 69 3HE MET 69 0.343 4.584 -0.637 509 H HIS 70 H HIS 70 -3.857 0.650 -3.578 510 HA HIS 70 HA HIS 70 -3.307 -2.251 -3.404 511 1HB HIS 70 1HB HIS 70 -5.787 -0.732 -4.254 512 2HB HIS 70 2HB HIS 70 -5.708 -2.424 -3.761 513 HD1 HIS 70 HD1 HIS 70 -5.985 1.000 -2.437 514 HD2 HIS 70 HD2 HIS 70 -5.063 -2.766 -0.922 515 HE1 HIS 70 HE1 HIS 70 -6.160 1.184 0.080 516 H ASP 71 H ASP 71 -3.408 0.279 -5.786 517 HA ASP 71 HA ASP 71 -3.916 -1.485 -8.065 518 1HB ASP 71 1HB ASP 71 -3.097 1.388 -7.630 519 2HB ASP 71 2HB ASP 71 -3.227 0.699 -9.243 520 H LYS 72 H LYS 72 -2.359 -2.773 -8.955 521 HA LYS 72 HA LYS 72 0.467 -2.443 -8.229 522 1HB LYS 72 1HB LYS 72 0.693 -4.569 -9.359 523 2HB LYS 72 2HB LYS 72 -0.813 -4.620 -8.443 524 1HG LYS 72 1HG LYS 72 -2.028 -3.911 -10.527 525 2HG LYS 72 2HG LYS 72 -0.510 -4.077 -11.409 526 1HD LYS 72 1HD LYS 72 -0.403 -6.420 -10.988 527 2HD LYS 72 2HD LYS 72 -1.668 -6.332 -9.762 528 1HE LYS 72 1HE LYS 72 -3.363 -5.895 -11.410 529 2HE LYS 72 2HE LYS 72 -2.147 -5.636 -12.678 530 1HZ LYS 72 1HZ LYS 72 -1.420 -7.888 -12.468 531 2HZ LYS 72 2HZ LYS 72 -3.105 -7.910 -12.685 532 3HZ LYS 72 3HZ LYS 72 -2.441 -8.161 -11.142 533 H GLY 73 H GLY 73 -1.513 -2.210 -11.179 534 1HA GLY 73 1HA GLY 73 0.725 -1.503 -12.883 535 2HA GLY 73 2HA GLY 73 -0.981 -1.336 -13.304 536 H THR 74 H THR 74 1.192 0.121 -10.860 537 HA THR 74 HA THR 74 -0.049 2.775 -11.467 538 HB THR 74 HB THR 74 1.176 3.235 -9.204 539 HG1 THR 74 1HG THR 74 2.342 1.578 -8.675 540 1HG2 THR 74 1HG2 THR 74 -1.211 1.428 -9.583 541 2HG2 THR 74 2HG2 THR 74 -1.193 3.145 -9.182 542 3HG2 THR 74 3HG2 THR 74 -0.695 1.953 -7.980 543 H LYS 75 H LYS 75 1.479 4.654 -11.396 544 HA LYS 75 HA LYS 75 3.541 4.711 -13.206 545 1HB LYS 75 1HB LYS 75 2.521 6.551 -11.689 546 2HB LYS 75 2HB LYS 75 3.742 6.075 -10.509 547 1HG LYS 75 1HG LYS 75 5.519 6.752 -11.882 548 2HG LYS 75 2HG LYS 75 4.527 6.700 -13.338 549 1HD LYS 75 1HD LYS 75 3.355 8.684 -12.740 550 2HD LYS 75 2HD LYS 75 3.965 8.630 -11.087 551 1HE LYS 75 1HE LYS 75 5.408 10.220 -11.997 552 2HE LYS 75 2HE LYS 75 6.326 8.744 -12.357 553 1HZ LYS 75 1HZ LYS 75 4.692 10.394 -14.142 554 2HZ LYS 75 2HZ LYS 75 4.707 8.717 -14.412 555 3HZ LYS 75 3HZ LYS 75 6.158 9.600 -14.450 556 H PHE 76 H PHE 76 3.907 3.964 -9.742 557 HA PHE 76 HA PHE 76 6.525 2.620 -10.352 558 1HB PHE 76 1HB PHE 76 5.584 4.037 -7.842 559 2HB PHE 76 2HB PHE 76 7.190 3.372 -8.119 560 HD1 PHE 76 HD1 PHE 76 8.533 4.304 -10.126 561 HD2 PHE 76 HD2 PHE 76 5.015 6.188 -8.539 562 HE1 PHE 76 HE1 PHE 76 9.153 6.423 -11.259 563 HE2 PHE 76 HE2 PHE 76 5.636 8.303 -9.667 564 HZ PHE 76 HZ PHE 76 7.696 8.414 -11.024 565 H LYS 77 H LYS 77 7.018 1.066 -8.306 566 HA LYS 77 HA LYS 77 4.843 -0.867 -8.267 567 1HB LYS 77 1HB LYS 77 6.385 -2.105 -6.817 568 2HB LYS 77 2HB LYS 77 7.232 -1.490 -8.233 569 1HG LYS 77 1HG LYS 77 7.775 0.560 -6.725 570 2HG LYS 77 2HG LYS 77 7.350 -0.511 -5.391 571 1HD LYS 77 1HD LYS 77 9.543 -0.876 -7.442 572 2HD LYS 77 2HD LYS 77 9.708 -0.767 -5.689 573 1HE LYS 77 1HE LYS 77 9.483 -3.012 -5.519 574 2HE LYS 77 2HE LYS 77 7.911 -2.932 -6.337 575 1HZ LYS 77 1HZ LYS 77 9.356 -2.534 -8.426 576 2HZ LYS 77 2HZ LYS 77 9.170 -4.119 -7.843 577 3HZ LYS 77 3HZ LYS 77 10.593 -3.251 -7.513 578 H SER 78 H SER 78 3.131 -0.523 -7.069 579 HA SER 78 HA SER 78 3.012 1.343 -4.843 580 1HB SER 78 1HB SER 78 0.626 0.203 -4.837 581 2HB SER 78 2HB SER 78 1.098 1.272 -6.156 582 HG SER 78 HG SER 78 0.541 -0.467 -7.260 583 H CYS 79 H CYS 79 1.676 0.486 -2.844 584 HA CYS 79 HA CYS 79 3.288 -1.261 -1.297 585 1HB CYS 79 1HB CYS 79 0.343 -0.564 -1.070 586 2HB CYS 79 2HB CYS 79 1.359 -1.149 0.244 587 H VAL 80 H VAL 80 -0.042 -1.957 -2.389 588 HA VAL 80 HA VAL 80 0.237 -4.821 -2.086 589 HB VAL 80 HB VAL 80 -1.699 -2.943 -3.442 590 1HG1 VAL 80 1HG1 VAL 80 -1.368 -5.792 -3.879 591 2HG1 VAL 80 2HG1 VAL 80 -2.454 -4.659 -4.686 592 3HG1 VAL 80 3HG1 VAL 80 -2.948 -5.435 -3.180 593 1HG2 VAL 80 1HG2 VAL 80 -3.193 -3.766 -1.605 594 2HG2 VAL 80 2HG2 VAL 80 -1.743 -2.974 -0.990 595 3HG2 VAL 80 3HG2 VAL 80 -1.853 -4.734 -0.991 596 H GLY 81 H GLY 81 0.862 -2.535 -4.672 597 1HA GLY 81 1HA GLY 81 0.923 -4.425 -6.849 598 2HA GLY 81 2HA GLY 81 1.681 -2.832 -6.856 599 H CYS 82 H CYS 82 3.415 -3.130 -4.659 600 HA CYS 82 HA CYS 82 5.562 -4.720 -5.870 601 1HB CYS 82 1HB CYS 82 5.740 -2.483 -4.629 602 2HB CYS 82 2HB CYS 82 5.448 -3.386 -3.146 603 H HIS 83 H HIS 83 3.262 -4.972 -3.264 604 HA HIS 83 HA HIS 83 4.435 -7.160 -1.831 605 1HB HIS 83 1HB HIS 83 1.798 -5.774 -2.099 606 2HB HIS 83 2HB HIS 83 1.836 -7.299 -1.236 607 HD1 HIS 83 HD1 HIS 83 1.418 -6.024 1.043 608 HD2 HIS 83 HD2 HIS 83 4.957 -4.981 -0.900 609 HE1 HIS 83 HE1 HIS 83 2.824 -4.786 2.740 610 H LEU 84 H LEU 84 1.686 -7.149 -4.177 611 HA LEU 84 HA LEU 84 1.341 -9.919 -4.431 612 1HB LEU 84 1HB LEU 84 0.499 -7.523 -5.616 613 2HB LEU 84 2HB LEU 84 1.165 -8.468 -6.944 614 HG LEU 84 HG LEU 84 -0.692 -9.730 -4.950 615 1HD1 LEU 84 1HD1 LEU 84 -2.604 -9.085 -6.205 616 2HD1 LEU 84 2HD1 LEU 84 -1.620 -8.467 -7.532 617 3HD1 LEU 84 3HD1 LEU 84 -1.676 -7.601 -5.997 618 1HD2 LEU 84 1HD2 LEU 84 0.235 -11.376 -6.327 619 2HD2 LEU 84 2HD2 LEU 84 0.322 -10.300 -7.721 620 3HD2 LEU 84 3HD2 LEU 84 -1.230 -10.965 -7.217 621 H GLU 85 H GLU 85 3.817 -7.809 -5.796 622 HA GLU 85 HA GLU 85 4.912 -9.916 -7.542 623 1HB GLU 85 1HB GLU 85 5.738 -7.095 -6.787 624 2HB GLU 85 2HB GLU 85 6.604 -8.081 -7.967 625 1HG GLU 85 1HG GLU 85 3.657 -7.398 -8.158 626 2HG GLU 85 2HG GLU 85 4.933 -6.532 -9.014 627 H THR 86 H THR 86 5.992 -8.085 -4.652 628 HA THR 86 HA THR 86 8.445 -9.460 -4.236 629 HB THR 86 HB THR 86 6.475 -7.910 -2.580 630 HG1 THR 86 1HG THR 86 8.269 -6.555 -2.431 631 1HG2 THR 86 1HG2 THR 86 8.961 -9.214 -1.439 632 2HG2 THR 86 2HG2 THR 86 7.317 -9.768 -1.124 633 3HG2 THR 86 3HG2 THR 86 7.829 -8.170 -0.579 634 H ALA 87 H ALA 87 5.208 -10.550 -3.928 635 HA ALA 87 HA ALA 87 5.886 -12.713 -2.015 636 1HB ALA 87 1HB ALA 87 3.469 -11.417 -3.176 637 2HB ALA 87 2HB ALA 87 3.770 -11.944 -1.520 638 3HB ALA 87 3HB ALA 87 3.310 -13.122 -2.750 639 H GLY 88 H GLY 88 5.070 -12.219 -5.414 640 1HA GLY 88 1HA GLY 88 5.222 -13.657 -7.259 641 2HA GLY 88 2HA GLY 88 6.427 -14.543 -6.323 642 H ALA 89 H ALA 89 5.777 -16.652 -6.576 643 HA ALA 89 HA ALA 89 2.915 -17.371 -6.361 644 1HB ALA 89 1HB ALA 89 5.217 -19.282 -6.576 645 2HB ALA 89 2HB ALA 89 4.818 -18.254 -7.951 646 3HB ALA 89 3HB ALA 89 3.621 -19.383 -7.317 647 H ASP 90 H ASP 90 3.755 -16.317 -3.947 648 HA ASP 90 HA ASP 90 4.107 -18.734 -2.216 649 1HB ASP 90 1HB ASP 90 6.025 -17.222 -2.208 650 2HB ASP 90 2HB ASP 90 4.977 -15.851 -1.854 651 H ALA 91 H ALA 91 1.750 -18.889 -2.309 652 HA ALA 91 HA ALA 91 -0.256 -17.119 -1.753 653 1HB ALA 91 1HB ALA 91 0.335 -19.918 -0.856 654 2HB ALA 91 2HB ALA 91 -0.913 -19.342 -1.962 655 3HB ALA 91 3HB ALA 91 -1.105 -19.120 -0.224 656 H ALA 92 H ALA 92 2.241 -18.129 0.506 657 HA ALA 92 HA ALA 92 0.972 -17.012 2.882 658 1HB ALA 92 1HB ALA 92 3.925 -17.268 2.708 659 2HB ALA 92 2HB ALA 92 3.022 -18.741 2.350 660 3HB ALA 92 3HB ALA 92 2.814 -17.934 3.905 661 H LYS 93 H LYS 93 3.428 -15.977 0.556 662 HA LYS 93 HA LYS 93 3.838 -13.362 1.776 663 1HB LYS 93 1HB LYS 93 4.727 -14.970 -0.548 664 2HB LYS 93 2HB LYS 93 4.845 -13.226 -0.742 665 1HG LYS 93 1HG LYS 93 6.046 -13.157 1.482 666 2HG LYS 93 2HG LYS 93 6.075 -14.921 1.442 667 1HD LYS 93 1HD LYS 93 7.359 -14.906 -0.621 668 2HD LYS 93 2HD LYS 93 7.225 -13.151 -0.734 669 1HE LYS 93 1HE LYS 93 8.801 -12.788 0.919 670 2HE LYS 93 2HE LYS 93 8.393 -14.287 1.778 671 1HZ LYS 93 1HZ LYS 93 10.481 -14.586 0.651 672 2HZ LYS 93 2HZ LYS 93 9.814 -14.066 -0.823 673 3HZ LYS 93 3HZ LYS 93 9.305 -15.530 -0.126 674 H LYS 94 H LYS 94 1.708 -14.778 -0.616 675 HA LYS 94 HA LYS 94 0.891 -12.250 -1.838 676 1HB LYS 94 1HB LYS 94 0.509 -15.092 -2.156 677 2HB LYS 94 2HB LYS 94 -1.063 -14.289 -2.172 678 1HG LYS 94 1HG LYS 94 0.452 -12.595 -3.722 679 2HG LYS 94 2HG LYS 94 1.119 -14.173 -4.146 680 1HD LYS 94 1HD LYS 94 -1.634 -14.607 -4.084 681 2HD LYS 94 2HD LYS 94 -1.471 -13.018 -4.833 682 1HE LYS 94 1HE LYS 94 -0.006 -13.884 -6.545 683 2HE LYS 94 2HE LYS 94 0.125 -15.447 -5.715 684 1HZ LYS 94 1HZ LYS 94 -1.595 -15.267 -7.571 685 2HZ LYS 94 2HZ LYS 94 -2.497 -14.316 -6.490 686 3HZ LYS 94 3HZ LYS 94 -2.115 -15.924 -6.096 687 H LYS 95 H LYS 95 0.430 -13.475 1.206 688 HA LYS 95 HA LYS 95 -2.289 -12.227 1.479 689 1HB LYS 95 1HB LYS 95 -2.720 -14.216 2.512 690 2HB LYS 95 2HB LYS 95 -1.022 -14.681 2.424 691 1HG LYS 95 1HG LYS 95 -0.512 -13.596 4.483 692 2HG LYS 95 2HG LYS 95 -2.049 -12.728 4.491 693 1HD LYS 95 1HD LYS 95 -2.955 -15.281 4.381 694 2HD LYS 95 2HD LYS 95 -1.454 -15.527 5.276 695 1HE LYS 95 1HE LYS 95 -2.170 -13.662 6.833 696 2HE LYS 95 2HE LYS 95 -3.747 -13.679 6.016 697 1HZ LYS 95 1HZ LYS 95 -4.003 -15.991 6.521 698 2HZ LYS 95 2HZ LYS 95 -3.649 -15.176 7.970 699 3HZ LYS 95 3HZ LYS 95 -2.444 -16.080 7.184 700 H GLU 96 H GLU 96 0.728 -12.844 3.212 701 HA GLU 96 HA GLU 96 0.683 -10.838 5.155 702 1HB GLU 96 1HB GLU 96 2.486 -12.618 3.741 703 2HB GLU 96 2HB GLU 96 3.293 -11.114 4.149 704 1HG GLU 96 1HG GLU 96 2.192 -11.471 6.500 705 2HG GLU 96 2HG GLU 96 2.031 -13.144 5.961 706 H LEU 97 H LEU 97 1.815 -10.691 1.786 707 HA LEU 97 HA LEU 97 2.470 -7.832 1.951 708 1HB LEU 97 1HB LEU 97 2.382 -9.754 -0.379 709 2HB LEU 97 2HB LEU 97 3.265 -8.227 -0.301 710 HG LEU 97 HG LEU 97 3.795 -10.764 1.246 711 1HD1 LEU 97 1HD1 LEU 97 6.141 -10.150 0.379 712 2HD1 LEU 97 2HD1 LEU 97 5.309 -9.002 -0.670 713 3HD1 LEU 97 3HD1 LEU 97 4.967 -10.726 -0.804 714 1HD2 LEU 97 1HD2 LEU 97 5.546 -9.387 2.447 715 2HD2 LEU 97 2HD2 LEU 97 3.886 -8.996 2.896 716 3HD2 LEU 97 3HD2 LEU 97 4.771 -7.945 1.791 717 H THR 98 H THR 98 0.409 -9.647 -0.346 718 HA THR 98 HA THR 98 -1.160 -7.196 -0.816 719 HB THR 98 HB THR 98 -2.244 -8.729 -2.523 720 HG1 THR 98 1HG THR 98 -1.873 -10.700 -1.601 721 1HG2 THR 98 1HG2 THR 98 -0.584 -8.179 -3.977 722 2HG2 THR 98 2HG2 THR 98 0.652 -8.992 -3.016 723 3HG2 THR 98 3HG2 THR 98 0.124 -7.368 -2.581 724 H GLY 99 H GLY 99 -1.443 -10.061 1.096 725 1HA GLY 99 1HA GLY 99 -4.211 -10.483 1.176 726 2HA GLY 99 2HA GLY 99 -3.161 -10.679 2.581 727 H CYS 100 H CYS 100 -5.870 -9.173 1.737 728 HA CYS 100 HA CYS 100 -5.336 -6.481 2.738 729 1HB CYS 100 1HB CYS 100 -8.095 -7.468 2.796 730 2HB CYS 100 2HB CYS 100 -7.445 -6.067 1.990 731 H LYS 101 H LYS 101 -7.520 -9.027 3.931 732 HA LYS 101 HA LYS 101 -7.137 -7.940 6.670 733 1HB LYS 101 1HB LYS 101 -9.127 -9.469 7.103 734 2HB LYS 101 2HB LYS 101 -9.417 -8.190 5.924 735 1HG LYS 101 1HG LYS 101 -9.657 -9.658 4.207 736 2HG LYS 101 2HG LYS 101 -8.328 -10.674 4.769 737 1HD LYS 101 1HD LYS 101 -9.779 -11.647 6.498 738 2HD LYS 101 2HD LYS 101 -11.110 -10.613 5.976 739 1HE LYS 101 1HE LYS 101 -11.032 -11.672 3.722 740 2HE LYS 101 2HE LYS 101 -9.751 -12.757 4.302 741 1HZ LYS 101 1HZ LYS 101 -12.509 -12.499 5.370 742 2HZ LYS 101 2HZ LYS 101 -11.274 -13.355 6.162 743 3HZ LYS 101 3HZ LYS 101 -11.819 -13.863 4.635 744 H GLY 102 H GLY 102 -5.517 -8.918 7.824 745 1HA GLY 102 1HA GLY 102 -4.843 -10.950 9.052 746 2HA GLY 102 2HA GLY 102 -5.263 -11.888 7.618 747 H SER 103 H SER 103 -3.880 -9.287 6.299 748 HA SER 103 HA SER 103 -1.341 -10.655 5.821 749 1HB SER 103 1HB SER 103 -1.004 -8.722 4.320 750 2HB SER 103 2HB SER 103 -2.602 -9.419 4.097 751 HG SER 103 HG SER 103 -3.190 -7.415 4.442 752 H LYS 104 H LYS 104 0.229 -8.233 5.599 753 HA LYS 104 HA LYS 104 0.933 -7.832 8.474 754 1HB LYS 104 1HB LYS 104 2.321 -7.445 5.807 755 2HB LYS 104 2HB LYS 104 3.046 -6.978 7.345 756 1HG LYS 104 1HG LYS 104 2.005 -9.682 7.487 757 2HG LYS 104 2HG LYS 104 3.150 -9.521 6.155 758 1HD LYS 104 1HD LYS 104 4.918 -8.996 7.553 759 2HD LYS 104 2HD LYS 104 3.870 -8.295 8.787 760 1HE LYS 104 1HE LYS 104 3.065 -10.562 9.391 761 2HE LYS 104 2HE LYS 104 4.148 -11.260 8.171 762 1HZ LYS 104 1HZ LYS 104 5.371 -11.274 10.166 763 2HZ LYS 104 2HZ LYS 104 4.878 -9.704 10.586 764 3HZ LYS 104 3HZ LYS 104 5.963 -9.941 9.300 765 H CYS 105 H CYS 105 -0.113 -6.303 5.556 766 HA CYS 105 HA CYS 105 0.381 -3.558 6.377 767 1HB CYS 105 1HB CYS 105 -0.065 -5.015 4.070 768 2HB CYS 105 2HB CYS 105 -1.569 -4.149 4.274 769 H HIS 106 H HIS 106 -2.260 -5.849 6.694 770 HA HIS 106 HA HIS 106 -3.964 -3.667 7.863 771 1HB HIS 106 1HB HIS 106 -4.469 -5.970 6.032 772 2HB HIS 106 2HB HIS 106 -5.760 -5.521 7.148 773 HD1 HIS 106 HD1 HIS 106 -5.128 -2.427 7.120 774 HD2 HIS 106 HD2 HIS 106 -5.655 -4.805 3.716 775 HE1 HIS 106 HE1 HIS 106 -5.693 -0.847 5.230 776 H SER 107 H SER 107 -2.401 -4.589 9.755 777 HA SER 107 HA SER 107 -2.945 -7.124 10.945 778 1HB SER 107 1HB SER 107 -1.099 -5.379 11.381 779 2HB SER 107 2HB SER 107 -2.273 -4.563 12.408 780 HG SER 107 HG SER 107 -0.803 -6.218 13.380 781 HHA HEC 201 HHA HEC 201 5.978 8.682 5.704 782 HHB HEC 201 HHB HEC 201 12.074 9.826 4.812 783 HHC HEC 201 HHC HEC 201 12.535 4.807 1.045 784 HHD HEC 201 HHD HEC 201 6.403 3.668 1.803 785 1HMA HEC 201 1HMA HEC 201 11.288 10.723 6.933 786 2HMA HEC 201 2HMA HEC 201 9.811 10.822 7.898 787 3HMA HEC 201 3HMA HEC 201 10.101 11.985 6.603 788 1HAA HEC 201 1HAA HEC 201 6.456 9.883 7.214 789 2HAA HEC 201 2HAA HEC 201 7.752 10.934 7.778 790 1HBA HEC 201 1HBA HEC 201 6.658 11.539 5.088 791 2HBA HEC 201 2HBA HEC 201 5.587 11.858 6.454 792 1HMB HEC 201 1HMB HEC 201 13.991 9.662 4.424 793 2HMB HEC 201 2HMB HEC 201 15.071 8.270 4.485 794 3HMB HEC 201 3HMB HEC 201 14.941 9.221 3.005 795 HAB HEC 201 HAB HEC 201 14.385 5.568 1.207 796 1HBB HEC 201 1HBB HEC 201 15.276 4.902 3.363 797 2HBB HEC 201 2HBB HEC 201 15.818 6.548 3.694 798 3HBB HEC 201 3HBB HEC 201 16.591 5.604 2.419 799 1HMC HEC 201 1HMC HEC 201 11.743 3.234 -0.641 800 2HMC HEC 201 2HMC HEC 201 11.922 2.138 0.729 801 3HMC HEC 201 3HMC HEC 201 10.672 1.843 -0.480 802 HAC HEC 201 HAC HEC 201 7.053 2.307 0.654 803 1HBC HEC 201 1HBC HEC 201 9.619 0.776 0.626 804 2HBC HEC 201 2HBC HEC 201 8.297 0.199 -0.390 805 3HBC HEC 201 3HBC HEC 201 8.068 0.351 1.351 806 1HMD HEC 201 1HMD HEC 201 4.349 3.519 4.081 807 2HMD HEC 201 2HMD HEC 201 3.189 4.789 3.685 808 3HMD HEC 201 3HMD HEC 201 4.120 4.021 2.404 809 1HAD HEC 201 1HAD HEC 201 4.169 7.964 5.557 810 2HAD HEC 201 2HAD HEC 201 3.165 7.353 4.246 811 1HBD HEC 201 1HBD HEC 201 2.783 5.283 5.381 812 2HBD HEC 201 2HBD HEC 201 4.040 5.628 6.569 813 HHA HEC 202 HHA HEC 202 1.558 7.771 -9.426 814 HHB HEC 202 HHB HEC 202 2.845 4.197 -4.823 815 HHC HEC 202 HHC HEC 202 4.359 9.003 -1.114 816 HHD HEC 202 HHD HEC 202 2.828 12.997 -5.708 817 1HMA HEC 202 1HMA HEC 202 1.227 3.238 -5.798 818 2HMA HEC 202 2HMA HEC 202 2.096 2.921 -7.298 819 3HMA HEC 202 3HMA HEC 202 0.379 3.317 -7.340 820 1HAA HEC 202 1HAA HEC 202 1.071 5.503 -9.975 821 2HAA HEC 202 2HAA HEC 202 0.018 4.519 -8.995 822 1HBA HEC 202 1HBA HEC 202 -1.345 6.493 -8.460 823 2HBA HEC 202 2HBA HEC 202 -0.289 7.485 -9.464 824 1HMB HEC 202 1HMB HEC 202 2.939 3.532 -2.442 825 2HMB HEC 202 2HMB HEC 202 4.603 3.470 -3.026 826 3HMB HEC 202 3HMB HEC 202 4.275 3.836 -1.331 827 HAB HEC 202 HAB HEC 202 4.125 7.080 0.178 828 1HBB HEC 202 1HBB HEC 202 6.524 6.363 -1.044 829 2HBB HEC 202 2HBB HEC 202 6.169 4.995 0.012 830 3HBB HEC 202 3HBB HEC 202 6.290 6.621 0.685 831 1HMC HEC 202 1HMC HEC 202 5.493 12.723 -1.350 832 2HMC HEC 202 2HMC HEC 202 4.075 12.151 -0.470 833 3HMC HEC 202 3HMC HEC 202 5.420 11.054 -0.782 834 HAC HEC 202 HAC HEC 202 2.591 14.052 -3.628 835 1HBC HEC 202 1HBC HEC 202 5.369 14.569 -2.597 836 2HBC HEC 202 2HBC HEC 202 4.097 14.049 -1.493 837 3HBC HEC 202 3HBC HEC 202 3.918 15.549 -2.403 838 1HMD HEC 202 1HMD HEC 202 1.098 13.476 -8.269 839 2HMD HEC 202 2HMD HEC 202 2.017 13.021 -9.705 840 3HMD HEC 202 3HMD HEC 202 2.859 13.579 -8.259 841 1HAD HEC 202 1HAD HEC 202 1.923 9.284 -10.647 842 2HAD HEC 202 2HAD HEC 202 1.093 10.824 -10.824 843 1HBD HEC 202 1HBD HEC 202 3.349 11.947 -10.584 844 2HBD HEC 202 2HBD HEC 202 4.070 10.342 -10.690 845 HHA HEC 203 HHA HEC 203 7.169 -6.912 4.676 846 HHB HEC 203 HHB HEC 203 2.864 -2.055 4.895 847 HHC HEC 203 HHC HEC 203 4.819 -0.075 -0.526 848 HHD HEC 203 HHD HEC 203 9.116 -4.660 -0.858 849 1HMA HEC 203 1HMA HEC 203 2.262 -3.857 6.491 850 2HMA HEC 203 2HMA HEC 203 3.551 -3.375 7.595 851 3HMA HEC 203 3HMA HEC 203 3.074 -5.069 7.484 852 1HAA HEC 203 1HAA HEC 203 4.853 -6.135 7.730 853 2HAA HEC 203 2HAA HEC 203 4.652 -7.334 6.459 854 1HBA HEC 203 1HBA HEC 203 6.876 -7.812 6.382 855 2HBA HEC 203 2HBA HEC 203 7.345 -6.127 6.610 856 1HMB HEC 203 1HMB HEC 203 1.247 0.274 3.492 857 2HMB HEC 203 2HMB HEC 203 2.151 -0.293 4.896 858 3HMB HEC 203 3HMB HEC 203 2.527 1.273 4.179 859 HAB HEC 203 HAB HEC 203 2.880 0.776 0.033 860 1HBB HEC 203 1HBB HEC 203 4.642 2.273 0.056 861 2HBB HEC 203 2HBB HEC 203 4.646 2.401 1.816 862 3HBB HEC 203 3HBB HEC 203 3.434 3.272 0.869 863 1HMC HEC 203 1HMC HEC 203 5.704 0.105 -2.310 864 2HMC HEC 203 2HMC HEC 203 7.429 0.160 -2.679 865 3HMC HEC 203 3HMC HEC 203 6.372 -0.934 -3.571 866 HAC HEC 203 HAC HEC 203 9.351 -3.616 -2.502 867 1HBC HEC 203 1HBC HEC 203 8.370 -1.502 -4.365 868 2HBC HEC 203 2HBC HEC 203 10.022 -2.015 -4.030 869 3HBC HEC 203 3HBC HEC 203 9.181 -0.954 -2.900 870 1HMD HEC 203 1HMD HEC 203 10.066 -7.881 0.290 871 2HMD HEC 203 2HMD HEC 203 11.111 -6.743 1.141 872 3HMD HEC 203 3HMD HEC 203 10.332 -6.266 -0.369 873 1HAD HEC 203 1HAD HEC 203 10.181 -8.055 3.128 874 2HAD HEC 203 2HAD HEC 203 8.861 -7.924 4.285 875 1HBD HEC 203 1HBD HEC 203 7.621 -9.084 2.112 876 2HBD HEC 203 2HBD HEC 203 9.225 -9.815 2.070 877 HHA HEC 204 HHA HEC 204 -6.718 2.278 3.867 878 HHB HEC 204 HHB HEC 204 -9.943 -2.196 0.890 879 HHC HEC 204 HHC HEC 204 -4.671 -5.861 0.940 880 HHD HEC 204 HHD HEC 204 -1.378 -0.892 2.757 881 1HMA HEC 204 1HMA HEC 204 -11.317 -0.824 1.478 882 2HMA HEC 204 2HMA HEC 204 -11.066 0.867 1.043 883 3HMA HEC 204 3HMA HEC 204 -11.592 0.443 2.673 884 1HAA HEC 204 1HAA HEC 204 -10.071 2.112 4.272 885 2HAA HEC 204 2HAA HEC 204 -8.542 2.887 3.856 886 1HBA HEC 204 1HBA HEC 204 -9.350 3.252 1.551 887 2HBA HEC 204 2HBA HEC 204 -10.867 2.464 1.963 888 1HMB HEC 204 1HMB HEC 204 -10.080 -5.544 -0.121 889 2HMB HEC 204 2HMB HEC 204 -9.552 -4.727 -1.592 890 3HMB HEC 204 3HMB HEC 204 -10.390 -3.821 -0.332 891 HAB HEC 204 HAB HEC 204 -6.299 -6.939 0.268 892 1HBB HEC 204 1HBB HEC 204 -5.573 -6.321 -1.876 893 2HBB HEC 204 2HBB HEC 204 -7.181 -5.786 -2.370 894 3HBB HEC 204 3HBB HEC 204 -6.836 -7.508 -2.203 895 1HMC HEC 204 1HMC HEC 204 -1.429 -5.898 0.433 896 2HMC HEC 204 2HMC HEC 204 -1.427 -6.145 2.179 897 3HMC HEC 204 3HMC HEC 204 -2.861 -6.544 1.232 898 HAC HEC 204 HAC HEC 204 -0.276 -2.386 2.943 899 1HBC HEC 204 1HBC HEC 204 0.354 -2.684 0.496 900 2HBC HEC 204 2HBC HEC 204 0.548 -4.404 0.828 901 3HBC HEC 204 3HBC HEC 204 1.579 -3.227 1.642 902 1HMD HEC 204 1HMD HEC 204 -1.157 1.227 4.615 903 2HMD HEC 204 2HMD HEC 204 -0.883 1.427 2.884 904 3HMD HEC 204 3HMD HEC 204 -1.542 2.760 3.833 905 1HAD HEC 204 1HAD HEC 204 -3.609 3.920 3.714 906 2HAD HEC 204 2HAD HEC 204 -5.270 3.547 4.163 907 1HBD HEC 204 1HBD HEC 204 -4.056 2.288 6.174 908 2HBD HEC 204 2HBD HEC 204 -2.795 3.468 5.823 Start of MODEL 13 1 1H ALA 1 1H ALA 1 19.823 15.469 2.270 2 2H ALA 1 2H ALA 1 21.202 14.658 1.699 3 3H ALA 1 3H ALA 1 20.767 14.551 3.337 4 HA ALA 1 HA ALA 1 19.199 13.453 1.057 5 1HB ALA 1 1HB ALA 1 21.381 12.522 2.809 6 2HB ALA 1 2HB ALA 1 20.857 11.899 1.245 7 3HB ALA 1 3HB ALA 1 20.014 11.413 2.716 8 HA PRO 2 HA PRO 2 15.855 13.384 3.907 9 1HB PRO 2 1HB PRO 2 14.541 11.129 3.084 10 2HB PRO 2 2HB PRO 2 14.529 12.642 2.165 11 1HG PRO 2 1HG PRO 2 16.126 10.176 1.725 12 2HG PRO 2 2HG PRO 2 15.389 11.267 0.543 13 1HD PRO 2 1HD PRO 2 18.050 11.280 1.167 14 2HD PRO 2 2HD PRO 2 17.168 12.702 0.564 15 H LYS 3 H LYS 3 15.680 12.650 6.007 16 HA LYS 3 HA LYS 3 17.245 10.246 6.779 17 1HB LYS 3 1HB LYS 3 15.742 12.287 8.428 18 2HB LYS 3 2HB LYS 3 16.916 11.116 9.022 19 1HG LYS 3 1HG LYS 3 18.145 12.543 6.885 20 2HG LYS 3 2HG LYS 3 17.412 13.732 7.963 21 1HD LYS 3 1HD LYS 3 18.923 11.481 9.215 22 2HD LYS 3 2HD LYS 3 19.856 12.751 8.422 23 1HE LYS 3 1HE LYS 3 19.445 14.210 10.112 24 2HE LYS 3 2HE LYS 3 17.708 13.847 10.082 25 1HZ LYS 3 1HZ LYS 3 19.522 11.772 11.059 26 2HZ LYS 3 2HZ LYS 3 17.932 12.133 11.539 27 3HZ LYS 3 3HZ LYS 3 19.226 13.089 12.085 28 H ALA 4 H ALA 4 15.759 8.696 5.887 29 HA ALA 4 HA ALA 4 13.040 8.370 6.142 30 1HB ALA 4 1HB ALA 4 13.559 6.240 5.528 31 2HB ALA 4 2HB ALA 4 14.547 5.981 6.966 32 3HB ALA 4 3HB ALA 4 15.235 6.790 5.558 33 HA PRO 5 HA PRO 5 12.358 8.470 10.495 34 1HB PRO 5 1HB PRO 5 9.725 7.716 10.454 35 2HB PRO 5 2HB PRO 5 10.286 9.342 10.033 36 1HG PRO 5 1HG PRO 5 9.370 7.151 8.273 37 2HG PRO 5 2HG PRO 5 9.290 8.901 8.046 38 1HD PRO 5 1HD PRO 5 11.135 7.188 6.843 39 2HD PRO 5 2HD PRO 5 11.265 8.954 6.945 40 H ALA 6 H ALA 6 11.737 6.957 12.240 41 HA ALA 6 HA ALA 6 12.898 4.398 12.006 42 1HB ALA 6 1HB ALA 6 10.924 5.689 13.891 43 2HB ALA 6 2HB ALA 6 12.642 5.385 14.147 44 3HB ALA 6 3HB ALA 6 11.499 4.043 14.158 45 H ASP 7 H ASP 7 11.419 2.404 12.734 46 HA ASP 7 HA ASP 7 9.516 1.958 10.529 47 1HB ASP 7 1HB ASP 7 10.328 0.098 12.771 48 2HB ASP 7 2HB ASP 7 9.802 -0.324 11.146 49 H GLY 8 H GLY 8 7.376 1.026 11.051 50 1HA GLY 8 1HA GLY 8 5.543 0.621 12.573 51 2HA GLY 8 2HA GLY 8 6.360 1.619 13.773 52 H LEU 9 H LEU 9 6.361 2.961 10.624 53 HA LEU 9 HA LEU 9 4.897 5.289 11.397 54 1HB LEU 9 1HB LEU 9 6.387 4.370 9.215 55 2HB LEU 9 2HB LEU 9 4.778 4.666 8.552 56 HG LEU 9 HG LEU 9 5.794 6.730 10.416 57 1HD1 LEU 9 1HD1 LEU 9 6.981 7.700 8.240 58 2HD1 LEU 9 2HD1 LEU 9 7.149 5.987 7.849 59 3HD1 LEU 9 3HD1 LEU 9 7.849 6.626 9.337 60 1HD2 LEU 9 1HD2 LEU 9 4.784 8.203 8.681 61 2HD2 LEU 9 2HD2 LEU 9 3.646 6.975 9.249 62 3HD2 LEU 9 3HD2 LEU 9 4.455 6.781 7.692 63 H LYS 10 H LYS 10 2.738 5.415 11.778 64 HA LYS 10 HA LYS 10 0.979 3.284 10.678 65 1HB LYS 10 1HB LYS 10 1.019 5.135 12.986 66 2HB LYS 10 2HB LYS 10 -0.573 4.782 12.313 67 1HG LYS 10 1HG LYS 10 0.173 2.302 12.374 68 2HG LYS 10 2HG LYS 10 1.439 2.859 13.472 69 1HD LYS 10 1HD LYS 10 -0.214 3.757 15.011 70 2HD LYS 10 2HD LYS 10 -1.519 3.379 13.884 71 1HE LYS 10 1HE LYS 10 -0.700 0.926 14.046 72 2HE LYS 10 2HE LYS 10 0.177 1.464 15.493 73 1HZ LYS 10 1HZ LYS 10 -1.750 2.044 16.566 74 2HZ LYS 10 2HZ LYS 10 -2.291 0.693 15.688 75 3HZ LYS 10 3HZ LYS 10 -2.628 2.262 15.131 76 H MET 11 H MET 11 0.234 3.800 8.681 77 HA MET 11 HA MET 11 -0.407 6.582 7.930 78 1HB MET 11 1HB MET 11 -1.181 5.267 5.810 79 2HB MET 11 2HB MET 11 0.541 5.288 6.182 80 1HG MET 11 1HG MET 11 -0.914 3.113 7.506 81 2HG MET 11 2HG MET 11 -0.965 3.023 5.749 82 1HE MET 11 1HE MET 11 1.557 4.023 4.521 83 2HE MET 11 2HE MET 11 0.745 2.481 4.262 84 3HE MET 11 3HE MET 11 2.487 2.518 4.528 85 H ASP 12 H ASP 12 -2.190 7.169 9.211 86 HA ASP 12 HA ASP 12 -4.568 5.359 9.188 87 1HB ASP 12 1HB ASP 12 -5.279 7.093 10.967 88 2HB ASP 12 2HB ASP 12 -3.939 6.023 11.357 89 H LYS 13 H LYS 13 -3.619 7.272 6.981 90 HA LYS 13 HA LYS 13 -5.229 9.535 6.672 91 1HB LYS 13 1HB LYS 13 -4.294 7.373 4.776 92 2HB LYS 13 2HB LYS 13 -5.073 8.845 4.209 93 1HG LYS 13 1HG LYS 13 -2.605 8.786 5.969 94 2HG LYS 13 2HG LYS 13 -2.571 8.999 4.218 95 1HD LYS 13 1HD LYS 13 -3.928 11.035 4.416 96 2HD LYS 13 2HD LYS 13 -4.025 10.815 6.163 97 1HE LYS 13 1HE LYS 13 -1.616 11.109 6.391 98 2HE LYS 13 2HE LYS 13 -1.428 11.182 4.627 99 1HZ LYS 13 1HZ LYS 13 -1.577 13.410 5.414 100 2HZ LYS 13 2HZ LYS 13 -2.948 13.060 6.354 101 3HZ LYS 13 3HZ LYS 13 -3.052 13.052 4.658 102 H THR 14 H THR 14 -6.085 6.141 6.374 103 HA THR 14 HA THR 14 -8.928 6.918 5.785 104 HB THR 14 HB THR 14 -9.017 4.545 4.883 105 HG1 THR 14 1HG THR 14 -7.364 3.436 5.562 106 1HG2 THR 14 1HG2 THR 14 -6.828 6.028 3.474 107 2HG2 THR 14 2HG2 THR 14 -8.421 6.773 3.607 108 3HG2 THR 14 3HG2 THR 14 -8.241 5.215 2.801 109 H LYS 15 H LYS 15 -10.419 4.952 6.579 110 HA LYS 15 HA LYS 15 -10.341 4.910 9.447 111 1HB LYS 15 1HB LYS 15 -11.914 3.796 7.210 112 2HB LYS 15 2HB LYS 15 -11.961 2.822 8.680 113 1HG LYS 15 1HG LYS 15 -13.388 4.281 9.621 114 2HG LYS 15 2HG LYS 15 -12.211 5.579 9.416 115 1HD LYS 15 1HD LYS 15 -12.995 5.850 7.053 116 2HD LYS 15 2HD LYS 15 -14.253 4.658 7.376 117 1HE LYS 15 1HE LYS 15 -15.216 6.082 9.120 118 2HE LYS 15 2HE LYS 15 -13.906 7.261 8.908 119 1HZ LYS 15 1HZ LYS 15 -14.564 7.677 6.696 120 2HZ LYS 15 2HZ LYS 15 -15.996 7.725 7.609 121 3HZ LYS 15 3HZ LYS 15 -15.628 6.357 6.671 122 H GLN 16 H GLN 16 -8.889 2.893 7.008 123 HA GLN 16 HA GLN 16 -8.194 0.810 9.035 124 1HB GLN 16 1HB GLN 16 -8.468 0.982 6.057 125 2HB GLN 16 2HB GLN 16 -7.347 -0.211 6.716 126 1HG GLN 16 1HG GLN 16 -9.538 -0.564 8.331 127 2HG GLN 16 2HG GLN 16 -10.294 -0.165 6.788 128 1HE2 GLN 16 2HE2 GLN 16 -8.221 -1.313 5.085 129 2HE2 GLN 16 1HE2 GLN 16 -8.294 -2.999 5.269 130 HA PRO 17 HA PRO 17 -4.426 3.453 8.673 131 1HB PRO 17 1HB PRO 17 -3.683 3.112 11.293 132 2HB PRO 17 2HB PRO 17 -4.811 4.375 10.756 133 1HG PRO 17 1HG PRO 17 -5.396 1.712 11.971 134 2HG PRO 17 2HG PRO 17 -6.143 3.286 12.295 135 1HD PRO 17 1HD PRO 17 -7.330 1.438 10.735 136 2HD PRO 17 2HD PRO 17 -7.497 3.183 10.428 137 H VAL 18 H VAL 18 -2.386 2.638 8.252 138 HA VAL 18 HA VAL 18 -1.870 -0.225 8.969 139 HB VAL 18 HB VAL 18 -1.426 1.426 6.478 140 1HG1 VAL 18 1HG1 VAL 18 -0.224 -1.280 7.135 141 2HG1 VAL 18 2HG1 VAL 18 0.672 0.234 7.002 142 3HG1 VAL 18 3HG1 VAL 18 -0.115 -0.453 5.582 143 1HG2 VAL 18 1HG2 VAL 18 -2.384 -1.005 5.720 144 2HG2 VAL 18 2HG2 VAL 18 -3.422 0.363 6.125 145 3HG2 VAL 18 3HG2 VAL 18 -3.089 -0.880 7.333 146 H VAL 19 H VAL 19 0.313 -0.732 9.524 147 HA VAL 19 HA VAL 19 1.965 1.609 10.352 148 HB VAL 19 HB VAL 19 1.813 -1.323 11.081 149 1HG1 VAL 19 1HG1 VAL 19 4.039 0.614 11.417 150 2HG1 VAL 19 2HG1 VAL 19 4.081 -1.147 11.345 151 3HG1 VAL 19 3HG1 VAL 19 3.616 -0.336 12.840 152 1HG2 VAL 19 1HG2 VAL 19 1.122 -0.526 13.212 153 2HG2 VAL 19 2HG2 VAL 19 0.248 0.475 12.053 154 3HG2 VAL 19 3HG2 VAL 19 1.678 1.110 12.867 155 H PHE 20 H PHE 20 3.477 2.168 8.771 156 HA PHE 20 HA PHE 20 4.564 0.044 7.003 157 1HB PHE 20 1HB PHE 20 3.783 2.192 6.053 158 2HB PHE 20 2HB PHE 20 4.950 3.058 7.050 159 HD1 PHE 20 HD1 PHE 20 4.920 0.088 4.758 160 HD2 PHE 20 HD2 PHE 20 6.955 3.654 6.009 161 HE1 PHE 20 HE1 PHE 20 6.683 -0.320 3.064 162 HE2 PHE 20 HE2 PHE 20 8.710 3.246 4.313 163 HZ PHE 20 HZ PHE 20 8.578 1.260 2.841 164 H ASN 21 H ASN 21 6.400 -0.984 7.655 165 HA ASN 21 HA ASN 21 8.198 0.323 9.616 166 1HB ASN 21 1HB ASN 21 7.252 -2.315 8.924 167 2HB ASN 21 2HB ASN 21 9.007 -2.281 8.882 168 1HD2 ASN 21 2HD2 ASN 21 8.884 -3.687 10.883 169 2HD2 ASN 21 1HD2 ASN 21 8.621 -2.945 12.387 170 H HIS 22 H HIS 22 9.409 1.790 8.277 171 HA HIS 22 HA HIS 22 10.377 1.408 5.684 172 1HB HIS 22 1HB HIS 22 11.344 2.813 8.152 173 2HB HIS 22 2HB HIS 22 12.397 2.776 6.740 174 HD1 HIS 22 HD1 HIS 22 9.602 4.596 8.169 175 HD2 HIS 22 HD2 HIS 22 10.951 3.831 4.295 176 HE1 HIS 22 HE1 HIS 22 8.562 6.362 6.687 177 H SER 23 H SER 23 11.599 0.067 8.723 178 HA SER 23 HA SER 23 14.120 -0.909 7.991 179 1HB SER 23 1HB SER 23 11.995 -1.495 9.906 180 2HB SER 23 2HB SER 23 12.898 -2.942 9.474 181 HG SER 23 HG SER 23 13.851 -0.499 10.540 182 H THR 24 H THR 24 10.923 -2.359 7.356 183 HA THR 24 HA THR 24 12.021 -4.666 5.948 184 HB THR 24 HB THR 24 9.262 -4.039 5.348 185 HG1 THR 24 1HG THR 24 8.677 -4.100 7.657 186 1HG2 THR 24 1HG2 THR 24 10.899 -6.196 6.298 187 2HG2 THR 24 2HG2 THR 24 9.271 -6.267 5.624 188 3HG2 THR 24 3HG2 THR 24 9.498 -6.032 7.357 189 H HIS 25 H HIS 25 11.919 -1.463 5.128 190 HA HIS 25 HA HIS 25 11.621 -2.082 2.220 191 1HB HIS 25 1HB HIS 25 10.854 0.358 3.846 192 2HB HIS 25 2HB HIS 25 10.668 0.204 2.103 193 HD1 HIS 25 HD1 HIS 25 9.293 -1.061 5.347 194 HD2 HIS 25 HD2 HIS 25 8.606 -1.599 1.273 195 HE1 HIS 25 HE1 HIS 25 7.136 -2.371 5.155 196 H LYS 26 H LYS 26 13.688 -0.941 4.688 197 HA LYS 26 HA LYS 26 15.218 1.100 3.539 198 1HB LYS 26 1HB LYS 26 16.125 -1.370 5.060 199 2HB LYS 26 2HB LYS 26 17.063 0.114 4.890 200 1HG LYS 26 1HG LYS 26 15.066 1.334 5.912 201 2HG LYS 26 2HG LYS 26 14.431 -0.258 6.328 202 1HD LYS 26 1HD LYS 26 16.179 -0.714 7.819 203 2HD LYS 26 2HD LYS 26 17.248 0.478 7.079 204 1HE LYS 26 1HE LYS 26 15.424 2.207 7.864 205 2HE LYS 26 2HE LYS 26 14.975 0.919 9.000 206 1HZ LYS 26 1HZ LYS 26 17.744 1.916 8.587 207 2HZ LYS 26 2HZ LYS 26 17.244 0.764 9.730 208 3HZ LYS 26 3HZ LYS 26 16.744 2.381 9.875 209 H ALA 27 H ALA 27 15.046 -2.297 2.665 210 HA ALA 27 HA ALA 27 17.380 -2.166 0.871 211 1HB ALA 27 1HB ALA 27 15.248 -4.239 1.478 212 2HB ALA 27 2HB ALA 27 16.894 -4.200 2.110 213 3HB ALA 27 3HB ALA 27 16.614 -4.526 0.400 214 H VAL 28 H VAL 28 14.210 -1.110 0.693 215 HA VAL 28 HA VAL 28 13.707 -1.840 -2.119 216 HB VAL 28 HB VAL 28 12.325 -0.182 -0.006 217 1HG1 VAL 28 1HG1 VAL 28 11.472 -0.672 -2.867 218 2HG1 VAL 28 2HG1 VAL 28 11.869 0.886 -2.144 219 3HG1 VAL 28 3HG1 VAL 28 10.437 0.008 -1.613 220 1HG2 VAL 28 1HG2 VAL 28 10.703 -1.963 -0.015 221 2HG2 VAL 28 2HG2 VAL 28 12.296 -2.714 0.088 222 3HG2 VAL 28 3HG2 VAL 28 11.431 -2.687 -1.450 223 H LYS 29 H LYS 29 13.007 0.178 -3.526 224 HA LYS 29 HA LYS 29 15.335 2.003 -3.505 225 1HB LYS 29 1HB LYS 29 13.560 0.824 -5.427 226 2HB LYS 29 2HB LYS 29 13.521 2.581 -5.589 227 1HG LYS 29 1HG LYS 29 15.341 2.003 -6.943 228 2HG LYS 29 2HG LYS 29 16.112 2.417 -5.410 229 1HD LYS 29 1HD LYS 29 15.448 -0.290 -5.155 230 2HD LYS 29 2HD LYS 29 16.057 -0.135 -6.804 231 1HE LYS 29 1HE LYS 29 18.145 0.763 -6.056 232 2HE LYS 29 2HE LYS 29 17.520 1.029 -4.416 233 1HZ LYS 29 1HZ LYS 29 17.045 -1.434 -4.394 234 2HZ LYS 29 2HZ LYS 29 18.686 -1.000 -4.321 235 3HZ LYS 29 3HZ LYS 29 18.015 -1.556 -5.780 236 H CYS 30 H CYS 30 15.027 3.619 -2.087 237 HA CYS 30 HA CYS 30 12.704 4.786 -1.087 238 1HB CYS 30 1HB CYS 30 15.427 5.884 -1.802 239 2HB CYS 30 2HB CYS 30 14.210 6.909 -1.042 240 H GLY 31 H GLY 31 14.061 5.060 -4.286 241 1HA GLY 31 1HA GLY 31 12.349 7.346 -5.016 242 2HA GLY 31 2HA GLY 31 13.483 6.520 -6.087 243 H ASP 32 H ASP 32 12.090 3.934 -4.894 244 HA ASP 32 HA ASP 32 10.214 3.669 -7.127 245 1HB ASP 32 1HB ASP 32 11.798 2.017 -5.519 246 2HB ASP 32 2HB ASP 32 10.149 1.606 -5.059 247 H CYS 33 H CYS 33 10.070 4.041 -3.607 248 HA CYS 33 HA CYS 33 7.108 3.983 -3.596 249 1HB CYS 33 1HB CYS 33 9.367 4.137 -1.611 250 2HB CYS 33 2HB CYS 33 7.761 4.651 -1.104 251 H HIS 34 H HIS 34 9.707 6.270 -2.653 252 HA HIS 34 HA HIS 34 7.838 8.563 -2.887 253 1HB HIS 34 1HB HIS 34 10.731 8.210 -2.030 254 2HB HIS 34 2HB HIS 34 9.916 9.765 -2.063 255 HD1 HIS 34 HD1 HIS 34 7.446 9.628 -0.652 256 HD2 HIS 34 HD2 HIS 34 10.521 7.037 0.443 257 HE1 HIS 34 HE1 HIS 34 6.952 8.886 1.718 258 H HIS 35 H HIS 35 8.282 7.256 -5.344 259 HA HIS 35 HA HIS 35 10.318 7.749 -7.047 260 1HB HIS 35 1HB HIS 35 8.466 8.399 -8.732 261 2HB HIS 35 2HB HIS 35 8.297 6.864 -7.902 262 HD1 HIS 35 HD1 HIS 35 6.988 10.337 -7.934 263 HD2 HIS 35 HD2 HIS 35 6.076 6.704 -6.133 264 HE1 HIS 35 HE1 HIS 35 4.733 10.644 -6.837 265 HA PRO 36 HA PRO 36 11.456 11.937 -7.187 266 1HB PRO 36 1HB PRO 36 12.011 12.273 -9.854 267 2HB PRO 36 2HB PRO 36 13.063 11.375 -8.739 268 1HG PRO 36 1HG PRO 36 11.027 10.340 -10.664 269 2HG PRO 36 2HG PRO 36 12.656 9.734 -10.313 270 1HD PRO 36 1HD PRO 36 10.458 8.571 -9.287 271 2HD PRO 36 2HD PRO 36 11.988 8.657 -8.381 272 H VAL 37 H VAL 37 9.742 13.267 -6.744 273 HA VAL 37 HA VAL 37 7.797 13.881 -8.939 274 HB VAL 37 HB VAL 37 7.674 14.266 -5.932 275 1HG1 VAL 37 1HG1 VAL 37 5.144 14.255 -7.351 276 2HG1 VAL 37 2HG1 VAL 37 6.204 15.519 -7.973 277 3HG1 VAL 37 3HG1 VAL 37 5.799 15.474 -6.258 278 1HG2 VAL 37 1HG2 VAL 37 6.447 12.290 -5.801 279 2HG2 VAL 37 2HG2 VAL 37 7.603 11.881 -7.068 280 3HG2 VAL 37 3HG2 VAL 37 5.961 12.361 -7.495 281 H ASN 38 H ASN 38 7.297 16.176 -9.257 282 HA ASN 38 HA ASN 38 8.002 18.427 -9.551 283 1HB ASN 38 1HB ASN 38 7.359 18.023 -7.085 284 2HB ASN 38 2HB ASN 38 9.076 18.031 -6.766 285 1HD2 ASN 38 2HD2 ASN 38 6.580 20.077 -6.488 286 2HD2 ASN 38 1HD2 ASN 38 7.324 21.549 -6.891 287 H GLY 39 H GLY 39 10.090 16.084 -9.892 288 1HA GLY 39 1HA GLY 39 12.268 16.333 -10.888 289 2HA GLY 39 2HA GLY 39 12.424 17.898 -10.082 290 H LYS 40 H LYS 40 11.170 16.216 -7.675 291 HA LYS 40 HA LYS 40 13.694 14.814 -6.878 292 1HB LYS 40 1HB LYS 40 13.407 16.075 -4.644 293 2HB LYS 40 2HB LYS 40 14.008 17.008 -6.015 294 1HG LYS 40 1HG LYS 40 11.642 17.723 -6.480 295 2HG LYS 40 2HG LYS 40 11.162 16.930 -4.980 296 1HD LYS 40 1HD LYS 40 13.203 18.407 -4.036 297 2HD LYS 40 2HD LYS 40 12.715 19.436 -5.383 298 1HE LYS 40 1HE LYS 40 10.376 19.417 -4.536 299 2HE LYS 40 2HE LYS 40 10.907 18.443 -3.150 300 1HZ LYS 40 1HZ LYS 40 12.129 21.041 -3.908 301 2HZ LYS 40 2HZ LYS 40 12.422 20.140 -2.497 302 3HZ LYS 40 3HZ LYS 40 10.915 20.888 -2.734 303 H GLU 41 H GLU 41 13.305 13.032 -5.537 304 HA GLU 41 HA GLU 41 10.667 11.921 -5.387 305 1HB GLU 41 1HB GLU 41 13.305 11.388 -4.012 306 2HB GLU 41 2HB GLU 41 11.877 10.410 -3.676 307 1HG GLU 41 1HG GLU 41 11.789 9.569 -5.870 308 2HG GLU 41 2HG GLU 41 12.768 10.885 -6.516 309 H ASP 42 H ASP 42 9.067 12.879 -4.147 310 HA ASP 42 HA ASP 42 9.573 14.548 -1.864 311 1HB ASP 42 1HB ASP 42 7.198 13.052 -2.964 312 2HB ASP 42 2HB ASP 42 7.080 13.996 -1.479 313 H TYR 43 H TYR 43 10.790 13.552 -0.271 314 HA TYR 43 HA TYR 43 10.257 10.802 0.593 315 1HB TYR 43 1HB TYR 43 12.011 13.015 1.718 316 2HB TYR 43 2HB TYR 43 12.108 11.309 2.156 317 HD1 TYR 43 HD1 TYR 43 13.377 13.811 0.004 318 HD2 TYR 43 HD2 TYR 43 12.371 9.636 0.116 319 HE1 TYR 43 HE1 TYR 43 14.872 13.400 -1.932 320 HE2 TYR 43 HE2 TYR 43 13.866 9.225 -1.819 321 HH TYR 43 HH TYR 43 15.135 11.743 -3.728 322 H GLN 44 H GLN 44 7.860 11.846 0.980 323 HA GLN 44 HA GLN 44 7.717 12.377 3.922 324 1HB GLN 44 1HB GLN 44 5.988 14.108 3.390 325 2HB GLN 44 2HB GLN 44 7.574 14.511 2.731 326 1HG GLN 44 1HG GLN 44 6.713 13.241 0.603 327 2HG GLN 44 2HG GLN 44 5.119 13.548 1.290 328 1HE2 GLN 44 2HE2 GLN 44 8.097 15.586 1.242 329 2HE2 GLN 44 1HE2 GLN 44 7.347 16.919 0.506 330 H LYS 45 H LYS 45 5.253 12.246 4.564 331 HA LYS 45 HA LYS 45 4.292 9.673 4.359 332 1HB LYS 45 1HB LYS 45 2.006 10.837 4.678 333 2HB LYS 45 2HB LYS 45 3.259 11.165 5.870 334 1HG LYS 45 1HG LYS 45 3.857 13.241 4.651 335 2HG LYS 45 2HG LYS 45 2.565 12.919 3.495 336 1HD LYS 45 1HD LYS 45 1.809 14.507 5.217 337 2HD LYS 45 2HD LYS 45 0.911 12.993 5.332 338 1HE LYS 45 1HE LYS 45 1.594 12.755 7.476 339 2HE LYS 45 2HE LYS 45 3.287 12.774 6.942 340 1HZ LYS 45 1HZ LYS 45 3.218 14.693 8.166 341 2HZ LYS 45 2HZ LYS 45 1.587 15.007 7.807 342 3HZ LYS 45 3HZ LYS 45 2.789 15.305 6.643 343 H CYS 46 H CYS 46 3.324 8.449 2.810 344 HA CYS 46 HA CYS 46 3.302 9.060 0.074 345 1HB CYS 46 1HB CYS 46 1.563 7.240 1.756 346 2HB CYS 46 2HB CYS 46 1.678 7.137 0.003 347 H ALA 47 H ALA 47 0.749 9.509 2.488 348 HA ALA 47 HA ALA 47 -0.970 10.838 0.433 349 1HB ALA 47 1HB ALA 47 -2.283 9.264 1.460 350 2HB ALA 47 2HB ALA 47 -2.512 10.568 2.624 351 3HB ALA 47 3HB ALA 47 -1.332 9.297 2.943 352 H THR 48 H THR 48 1.080 12.470 1.150 353 HA THR 48 HA THR 48 0.982 14.044 3.437 354 HB THR 48 HB THR 48 1.331 15.320 0.750 355 HG1 THR 48 1HG THR 48 3.244 13.560 1.839 356 1HG2 THR 48 1HG2 THR 48 2.337 16.803 2.110 357 2HG2 THR 48 2HG2 THR 48 3.596 15.597 2.381 358 3HG2 THR 48 3HG2 THR 48 2.223 15.701 3.483 359 H ALA 49 H ALA 49 0.347 16.625 2.903 360 HA ALA 49 HA ALA 49 -2.532 16.701 3.191 361 1HB ALA 49 1HB ALA 49 -1.006 18.259 4.299 362 2HB ALA 49 2HB ALA 49 -2.084 19.164 3.236 363 3HB ALA 49 3HB ALA 49 -0.423 18.837 2.739 364 H GLY 50 H GLY 50 -0.564 16.496 0.445 365 1HA GLY 50 1HA GLY 50 -2.855 17.201 -1.296 366 2HA GLY 50 2HA GLY 50 -1.348 18.082 -1.572 367 H CYS 51 H CYS 51 -1.035 14.921 -0.355 368 HA CYS 51 HA CYS 51 0.086 13.980 -2.930 369 1HB CYS 51 1HB CYS 51 0.544 13.835 -0.054 370 2HB CYS 51 2HB CYS 51 0.690 12.277 -0.799 371 H HIS 52 H HIS 52 -0.371 11.194 -1.392 372 HA HIS 52 HA HIS 52 -2.804 10.519 -2.866 373 1HB HIS 52 1HB HIS 52 -0.999 9.039 -0.937 374 2HB HIS 52 2HB HIS 52 -2.336 8.284 -1.779 375 HD1 HIS 52 HD1 HIS 52 -2.206 8.666 -4.479 376 HD2 HIS 52 HD2 HIS 52 1.361 8.886 -2.369 377 HE1 HIS 52 HE1 HIS 52 -0.357 8.340 -6.183 378 H ASP 53 H ASP 53 -3.551 12.508 -1.125 379 HA ASP 53 HA ASP 53 -4.596 11.246 1.347 380 1HB ASP 53 1HB ASP 53 -5.111 13.590 1.926 381 2HB ASP 53 2HB ASP 53 -3.439 13.434 1.382 382 H ASN 54 H ASN 54 -5.737 10.840 -1.552 383 HA ASN 54 HA ASN 54 -8.405 12.051 -1.358 384 1HB ASN 54 1HB ASN 54 -6.744 10.782 -3.300 385 2HB ASN 54 2HB ASN 54 -8.242 9.864 -3.212 386 1HD2 ASN 54 2HD2 ASN 54 -9.724 10.639 -4.701 387 2HD2 ASN 54 1HD2 ASN 54 -9.932 12.270 -5.121 388 H MET 55 H MET 55 -9.477 11.241 0.470 389 HA MET 55 HA MET 55 -9.359 8.421 1.210 390 1HB MET 55 1HB MET 55 -11.184 10.672 2.114 391 2HB MET 55 2HB MET 55 -10.856 9.176 2.987 392 1HG MET 55 1HG MET 55 -8.789 11.277 2.282 393 2HG MET 55 2HG MET 55 -9.503 11.045 3.878 394 1HE MET 55 1HE MET 55 -6.566 8.697 1.480 395 2HE MET 55 2HE MET 55 -6.004 10.151 2.303 396 3HE MET 55 3HE MET 55 -7.387 10.242 1.216 397 H ASP 56 H ASP 56 -10.565 9.346 -1.494 398 HA ASP 56 HA ASP 56 -13.399 8.647 -1.298 399 1HB ASP 56 1HB ASP 56 -12.242 10.228 -2.947 400 2HB ASP 56 2HB ASP 56 -11.613 8.785 -3.743 401 H LYS 57 H LYS 57 -10.408 6.952 -1.622 402 HA LYS 57 HA LYS 57 -9.941 4.651 -1.901 403 1HB LYS 57 1HB LYS 57 -12.906 4.458 -1.308 404 2HB LYS 57 2HB LYS 57 -11.705 3.194 -1.058 405 1HG LYS 57 1HG LYS 57 -11.226 4.028 0.970 406 2HG LYS 57 2HG LYS 57 -10.812 5.584 0.251 407 1HD LYS 57 1HD LYS 57 -12.598 5.969 1.828 408 2HD LYS 57 2HD LYS 57 -13.279 6.122 0.209 409 1HE LYS 57 1HE LYS 57 -13.524 3.392 0.799 410 2HE LYS 57 2HE LYS 57 -13.973 4.221 2.303 411 1HZ LYS 57 1HZ LYS 57 -15.438 5.661 1.065 412 2HZ LYS 57 2HZ LYS 57 -15.853 4.044 0.749 413 3HZ LYS 57 3HZ LYS 57 -14.979 4.940 -0.401 414 H LYS 58 H LYS 58 -11.356 6.428 -4.108 415 HA LYS 58 HA LYS 58 -11.879 4.127 -5.958 416 1HB LYS 58 1HB LYS 58 -13.369 6.768 -5.807 417 2HB LYS 58 2HB LYS 58 -13.755 5.409 -6.862 418 1HG LYS 58 1HG LYS 58 -13.612 4.349 -4.246 419 2HG LYS 58 2HG LYS 58 -14.543 5.842 -4.121 420 1HD LYS 58 1HD LYS 58 -16.321 4.760 -4.971 421 2HD LYS 58 2HD LYS 58 -15.428 4.544 -6.477 422 1HE LYS 58 1HE LYS 58 -14.612 2.407 -5.817 423 2HE LYS 58 2HE LYS 58 -15.056 2.677 -4.120 424 1HZ LYS 58 1HZ LYS 58 -17.358 2.732 -4.710 425 2HZ LYS 58 2HZ LYS 58 -16.693 1.307 -5.353 426 3HZ LYS 58 3HZ LYS 58 -17.000 2.636 -6.365 427 H ASP 59 H ASP 59 -10.406 7.232 -5.402 428 HA ASP 59 HA ASP 59 -10.012 8.200 -8.029 429 1HB ASP 59 1HB ASP 59 -9.418 9.538 -6.151 430 2HB ASP 59 2HB ASP 59 -8.389 8.273 -5.478 431 H LYS 60 H LYS 60 -9.351 6.797 -9.650 432 HA LYS 60 HA LYS 60 -7.235 4.798 -9.130 433 1HB LYS 60 1HB LYS 60 -9.429 5.256 -10.966 434 2HB LYS 60 2HB LYS 60 -7.950 4.910 -11.862 435 1HG LYS 60 1HG LYS 60 -8.721 3.220 -9.492 436 2HG LYS 60 2HG LYS 60 -9.426 2.908 -11.080 437 1HD LYS 60 1HD LYS 60 -6.529 3.304 -11.198 438 2HD LYS 60 2HD LYS 60 -6.986 1.938 -10.180 439 1HE LYS 60 1HE LYS 60 -7.565 0.695 -11.986 440 2HE LYS 60 2HE LYS 60 -8.551 2.014 -12.648 441 1HZ LYS 60 1HZ LYS 60 -6.738 1.726 -14.125 442 2HZ LYS 60 2HZ LYS 60 -5.611 1.675 -12.856 443 3HZ LYS 60 3HZ LYS 60 -6.404 3.128 -13.234 444 H SER 61 H SER 61 -6.824 7.876 -9.267 445 HA SER 61 HA SER 61 -4.957 8.052 -11.579 446 1HB SER 61 1HB SER 61 -6.754 9.778 -10.236 447 2HB SER 61 2HB SER 61 -5.139 10.400 -9.903 448 HG SER 61 HG SER 61 -6.279 11.056 -11.940 449 H ALA 62 H ALA 62 -3.251 10.019 -10.358 450 HA ALA 62 HA ALA 62 -1.577 8.223 -8.666 451 1HB ALA 62 1HB ALA 62 -0.425 10.771 -9.462 452 2HB ALA 62 2HB ALA 62 -1.145 9.946 -10.844 453 3HB ALA 62 3HB ALA 62 0.093 9.139 -9.884 454 H LYS 63 H LYS 63 -3.968 9.822 -7.662 455 HA LYS 63 HA LYS 63 -2.505 11.338 -5.527 456 1HB LYS 63 1HB LYS 63 -3.867 12.479 -7.597 457 2HB LYS 63 2HB LYS 63 -5.161 12.313 -6.408 458 1HG LYS 63 1HG LYS 63 -4.245 13.863 -5.005 459 2HG LYS 63 2HG LYS 63 -2.595 13.341 -5.346 460 1HD LYS 63 1HD LYS 63 -2.771 14.447 -7.591 461 2HD LYS 63 2HD LYS 63 -4.343 15.083 -7.104 462 1HE LYS 63 1HE LYS 63 -3.325 16.305 -5.246 463 2HE LYS 63 2HE LYS 63 -1.740 15.603 -5.624 464 1HZ LYS 63 1HZ LYS 63 -1.709 16.647 -7.718 465 2HZ LYS 63 2HZ LYS 63 -2.207 17.854 -6.631 466 3HZ LYS 63 3HZ LYS 63 -3.346 17.082 -7.627 467 H GLY 64 H GLY 64 -4.462 8.760 -6.161 468 1HA GLY 64 1HA GLY 64 -6.176 9.172 -3.760 469 2HA GLY 64 2HA GLY 64 -6.471 7.974 -5.013 470 H TYR 65 H TYR 65 -5.677 8.137 -1.911 471 HA TYR 65 HA TYR 65 -3.338 6.652 -1.446 472 1HB TYR 65 1HB TYR 65 -5.462 7.663 -0.026 473 2HB TYR 65 2HB TYR 65 -5.732 5.930 0.140 474 HD1 TYR 65 HD1 TYR 65 -5.179 5.732 2.476 475 HD2 TYR 65 HD2 TYR 65 -2.396 7.503 -0.271 476 HE1 TYR 65 HE1 TYR 65 -3.405 5.632 4.205 477 HE2 TYR 65 HE2 TYR 65 -0.624 7.400 1.453 478 HH TYR 65 HH TYR 65 -0.309 7.185 3.752 479 H TYR 66 H TYR 66 -6.629 5.255 -1.534 480 HA TYR 66 HA TYR 66 -6.165 2.569 -1.578 481 1HB TYR 66 1HB TYR 66 -8.245 4.189 -2.026 482 2HB TYR 66 2HB TYR 66 -7.968 3.665 -3.685 483 HD1 TYR 66 HD1 TYR 66 -8.065 1.249 -4.273 484 HD2 TYR 66 HD2 TYR 66 -9.081 2.694 -0.362 485 HE1 TYR 66 HE1 TYR 66 -9.197 -0.902 -3.779 486 HE2 TYR 66 HE2 TYR 66 -10.218 0.542 0.133 487 HH TYR 66 HH TYR 66 -11.188 -1.578 -2.077 488 H HIS 67 H HIS 67 -6.539 4.260 -4.704 489 HA HIS 67 HA HIS 67 -5.713 2.353 -6.465 490 1HB HIS 67 1HB HIS 67 -6.365 4.549 -7.181 491 2HB HIS 67 2HB HIS 67 -4.992 5.287 -6.352 492 HD1 HIS 67 HD1 HIS 67 -5.544 2.638 -9.037 493 HD2 HIS 67 HD2 HIS 67 -2.832 5.639 -8.040 494 HE1 HIS 67 HE1 HIS 67 -3.754 2.602 -10.821 495 H ALA 68 H ALA 68 -3.224 4.755 -5.740 496 HA ALA 68 HA ALA 68 -0.988 3.277 -6.446 497 1HB ALA 68 1HB ALA 68 -1.323 5.236 -4.150 498 2HB ALA 68 2HB ALA 68 -1.023 5.659 -5.837 499 3HB ALA 68 3HB ALA 68 0.215 4.815 -4.905 500 H MET 69 H MET 69 -2.928 2.870 -3.538 501 HA MET 69 HA MET 69 -0.852 1.286 -2.179 502 1HB MET 69 1HB MET 69 -3.727 1.992 -1.567 503 2HB MET 69 2HB MET 69 -2.647 1.160 -0.453 504 1HG MET 69 1HG MET 69 -1.465 3.582 -1.601 505 2HG MET 69 2HG MET 69 -2.918 3.903 -0.658 506 1HE MET 69 1HE MET 69 0.301 4.062 -0.858 507 2HE MET 69 2HE MET 69 1.162 3.532 0.586 508 3HE MET 69 3HE MET 69 0.158 4.979 0.649 509 H HIS 70 H HIS 70 -3.858 0.639 -3.978 510 HA HIS 70 HA HIS 70 -3.422 -2.270 -3.420 511 1HB HIS 70 1HB HIS 70 -5.904 -0.787 -4.337 512 2HB HIS 70 2HB HIS 70 -5.824 -2.474 -3.827 513 HD1 HIS 70 HD1 HIS 70 -5.968 0.997 -2.514 514 HD2 HIS 70 HD2 HIS 70 -5.337 -2.829 -0.992 515 HE1 HIS 70 HE1 HIS 70 -6.161 1.191 0.002 516 H ASP 71 H ASP 71 -3.151 0.086 -5.871 517 HA ASP 71 HA ASP 71 -3.799 -1.729 -8.103 518 1HB ASP 71 1HB ASP 71 -2.802 1.098 -7.764 519 2HB ASP 71 2HB ASP 71 -2.884 0.344 -9.355 520 H LYS 72 H LYS 72 -2.200 -2.401 -9.680 521 HA LYS 72 HA LYS 72 0.558 -2.634 -8.536 522 1HB LYS 72 1HB LYS 72 0.664 -4.711 -9.813 523 2HB LYS 72 2HB LYS 72 -0.834 -4.699 -8.880 524 1HG LYS 72 1HG LYS 72 -1.999 -3.778 -10.922 525 2HG LYS 72 2HG LYS 72 -0.509 -4.059 -11.823 526 1HD LYS 72 1HD LYS 72 -0.605 -6.463 -11.161 527 2HD LYS 72 2HD LYS 72 -2.155 -6.155 -10.379 528 1HE LYS 72 1HE LYS 72 -3.197 -5.581 -12.476 529 2HE LYS 72 2HE LYS 72 -1.631 -5.571 -13.312 530 1HZ LYS 72 1HZ LYS 72 -1.357 -7.872 -12.939 531 2HZ LYS 72 2HZ LYS 72 -2.946 -7.692 -13.515 532 3HZ LYS 72 3HZ LYS 72 -2.662 -7.940 -11.858 533 H GLY 73 H GLY 73 -1.232 -2.159 -11.582 534 1HA GLY 73 1HA GLY 73 1.184 -1.454 -13.064 535 2HA GLY 73 2HA GLY 73 -0.472 -1.317 -13.661 536 H THR 74 H THR 74 1.502 0.150 -11.066 537 HA THR 74 HA THR 74 0.186 2.771 -11.651 538 HB THR 74 HB THR 74 1.323 3.185 -9.316 539 HG1 THR 74 1HG THR 74 1.410 1.075 -8.233 540 1HG2 THR 74 1HG2 THR 74 -0.606 1.929 -8.216 541 2HG2 THR 74 2HG2 THR 74 -1.022 1.346 -9.829 542 3HG2 THR 74 3HG2 THR 74 -1.061 3.074 -9.479 543 H LYS 75 H LYS 75 1.601 4.702 -11.569 544 HA LYS 75 HA LYS 75 3.760 4.837 -13.254 545 1HB LYS 75 1HB LYS 75 2.498 6.562 -11.645 546 2HB LYS 75 2HB LYS 75 3.932 6.318 -10.651 547 1HG LYS 75 1HG LYS 75 4.141 8.238 -12.256 548 2HG LYS 75 2HG LYS 75 5.381 7.004 -12.472 549 1HD LYS 75 1HD LYS 75 3.030 6.369 -14.043 550 2HD LYS 75 2HD LYS 75 3.624 7.984 -14.436 551 1HE LYS 75 1HE LYS 75 5.790 6.019 -14.151 552 2HE LYS 75 2HE LYS 75 4.664 5.638 -15.468 553 1HZ LYS 75 1HZ LYS 75 6.129 7.159 -16.422 554 2HZ LYS 75 2HZ LYS 75 6.204 8.123 -15.024 555 3HZ LYS 75 3HZ LYS 75 4.802 8.121 -15.984 556 H PHE 76 H PHE 76 3.805 3.753 -9.889 557 HA PHE 76 HA PHE 76 6.572 2.679 -10.313 558 1HB PHE 76 1HB PHE 76 5.533 4.160 -7.881 559 2HB PHE 76 2HB PHE 76 7.160 3.523 -8.093 560 HD1 PHE 76 HD1 PHE 76 8.577 4.448 -10.019 561 HD2 PHE 76 HD2 PHE 76 4.899 6.250 -8.728 562 HE1 PHE 76 HE1 PHE 76 9.194 6.548 -11.185 563 HE2 PHE 76 HE2 PHE 76 5.515 8.348 -9.891 564 HZ PHE 76 HZ PHE 76 7.656 8.491 -11.116 565 H LYS 77 H LYS 77 7.086 1.134 -8.339 566 HA LYS 77 HA LYS 77 4.971 -0.832 -8.211 567 1HB LYS 77 1HB LYS 77 6.520 -1.926 -6.620 568 2HB LYS 77 2HB LYS 77 7.342 -1.422 -8.094 569 1HG LYS 77 1HG LYS 77 8.007 0.697 -6.871 570 2HG LYS 77 2HG LYS 77 7.388 -0.049 -5.398 571 1HD LYS 77 1HD LYS 77 9.857 -0.387 -5.709 572 2HD LYS 77 2HD LYS 77 8.955 -1.897 -5.615 573 1HE LYS 77 1HE LYS 77 9.027 -2.186 -8.013 574 2HE LYS 77 2HE LYS 77 9.716 -0.566 -8.236 575 1HZ LYS 77 1HZ LYS 77 10.975 -2.694 -6.590 576 2HZ LYS 77 2HZ LYS 77 11.645 -1.189 -7.004 577 3HZ LYS 77 3HZ LYS 77 11.406 -2.371 -8.198 578 H SER 78 H SER 78 3.212 -0.474 -7.091 579 HA SER 78 HA SER 78 2.981 1.460 -4.934 580 1HB SER 78 1HB SER 78 0.664 -0.055 -5.040 581 2HB SER 78 2HB SER 78 0.988 1.381 -6.003 582 HG SER 78 HG SER 78 0.437 -0.403 -7.311 583 H CYS 79 H CYS 79 1.535 0.590 -2.980 584 HA CYS 79 HA CYS 79 3.176 -1.050 -1.319 585 1HB CYS 79 1HB CYS 79 0.253 -0.248 -1.222 586 2HB CYS 79 2HB CYS 79 1.115 -0.974 0.132 587 H VAL 80 H VAL 80 -0.148 -1.842 -2.360 588 HA VAL 80 HA VAL 80 0.197 -4.685 -1.952 589 HB VAL 80 HB VAL 80 -1.802 -2.920 -3.367 590 1HG1 VAL 80 1HG1 VAL 80 -2.489 -4.743 -4.509 591 2HG1 VAL 80 2HG1 VAL 80 -3.020 -5.388 -2.956 592 3HG1 VAL 80 3HG1 VAL 80 -1.427 -5.805 -3.585 593 1HG2 VAL 80 1HG2 VAL 80 -1.487 -3.148 -0.762 594 2HG2 VAL 80 2HG2 VAL 80 -2.314 -4.690 -0.987 595 3HG2 VAL 80 3HG2 VAL 80 -3.114 -3.186 -1.441 596 H GLY 81 H GLY 81 0.791 -2.498 -4.617 597 1HA GLY 81 1HA GLY 81 0.849 -4.493 -6.714 598 2HA GLY 81 2HA GLY 81 1.548 -2.875 -6.814 599 H CYS 82 H CYS 82 3.318 -3.007 -4.626 600 HA CYS 82 HA CYS 82 5.516 -4.554 -5.791 601 1HB CYS 82 1HB CYS 82 5.467 -2.251 -4.524 602 2HB CYS 82 2HB CYS 82 5.481 -3.245 -3.071 603 H HIS 83 H HIS 83 3.048 -5.000 -3.465 604 HA HIS 83 HA HIS 83 4.366 -7.050 -1.867 605 1HB HIS 83 1HB HIS 83 1.709 -5.709 -2.139 606 2HB HIS 83 2HB HIS 83 1.761 -7.233 -1.270 607 HD1 HIS 83 HD1 HIS 83 1.295 -5.898 0.980 608 HD2 HIS 83 HD2 HIS 83 4.888 -4.941 -0.909 609 HE1 HIS 83 HE1 HIS 83 2.688 -4.650 2.683 610 H LEU 84 H LEU 84 1.589 -7.139 -4.173 611 HA LEU 84 HA LEU 84 1.279 -9.913 -4.381 612 1HB LEU 84 1HB LEU 84 0.417 -7.541 -5.610 613 2HB LEU 84 2HB LEU 84 1.076 -8.512 -6.921 614 HG LEU 84 HG LEU 84 -0.734 -9.781 -4.899 615 1HD1 LEU 84 1HD1 LEU 84 -2.695 -9.117 -6.087 616 2HD1 LEU 84 2HD1 LEU 84 -1.749 -8.428 -7.406 617 3HD1 LEU 84 3HD1 LEU 84 -1.773 -7.635 -5.830 618 1HD2 LEU 84 1HD2 LEU 84 -1.058 -11.399 -6.571 619 2HD2 LEU 84 2HD2 LEU 84 0.628 -10.942 -6.813 620 3HD2 LEU 84 3HD2 LEU 84 -0.623 -10.283 -7.866 621 H GLU 85 H GLU 85 3.736 -7.808 -5.793 622 HA GLU 85 HA GLU 85 4.830 -9.940 -7.511 623 1HB GLU 85 1HB GLU 85 5.425 -7.052 -6.882 624 2HB GLU 85 2HB GLU 85 6.587 -8.018 -7.792 625 1HG GLU 85 1HG GLU 85 4.652 -8.650 -9.334 626 2HG GLU 85 2HG GLU 85 3.725 -7.378 -8.535 627 H THR 86 H THR 86 5.969 -8.019 -4.700 628 HA THR 86 HA THR 86 8.423 -9.376 -4.278 629 HB THR 86 HB THR 86 6.452 -7.857 -2.580 630 HG1 THR 86 1HG THR 86 7.719 -6.533 -3.697 631 1HG2 THR 86 1HG2 THR 86 9.058 -9.021 -1.564 632 2HG2 THR 86 2HG2 THR 86 7.463 -9.646 -1.149 633 3HG2 THR 86 3HG2 THR 86 7.926 -8.017 -0.657 634 H ALA 87 H ALA 87 5.181 -10.462 -3.841 635 HA ALA 87 HA ALA 87 5.910 -12.582 -1.908 636 1HB ALA 87 1HB ALA 87 3.483 -11.316 -3.051 637 2HB ALA 87 2HB ALA 87 3.778 -11.894 -1.410 638 3HB ALA 87 3HB ALA 87 3.329 -13.033 -2.679 639 H GLY 88 H GLY 88 5.065 -12.191 -5.315 640 1HA GLY 88 1HA GLY 88 5.230 -13.675 -7.123 641 2HA GLY 88 2HA GLY 88 6.462 -14.510 -6.174 642 H ALA 89 H ALA 89 5.801 -16.627 -6.531 643 HA ALA 89 HA ALA 89 2.979 -17.402 -6.199 644 1HB ALA 89 1HB ALA 89 3.708 -19.412 -7.139 645 2HB ALA 89 2HB ALA 89 5.311 -19.275 -6.418 646 3HB ALA 89 3HB ALA 89 4.879 -18.273 -7.803 647 H ASP 90 H ASP 90 3.870 -16.293 -3.811 648 HA ASP 90 HA ASP 90 4.297 -18.677 -2.055 649 1HB ASP 90 1HB ASP 90 6.157 -17.088 -2.096 650 2HB ASP 90 2HB ASP 90 5.062 -15.760 -1.729 651 H ALA 91 H ALA 91 1.936 -18.896 -2.157 652 HA ALA 91 HA ALA 91 -0.115 -17.182 -1.583 653 1HB ALA 91 1HB ALA 91 -1.267 -19.087 -0.806 654 2HB ALA 91 2HB ALA 91 0.169 -19.743 -0.017 655 3HB ALA 91 3HB ALA 91 0.032 -19.782 -1.775 656 H ALA 92 H ALA 92 2.440 -18.101 0.641 657 HA ALA 92 HA ALA 92 1.134 -17.053 3.033 658 1HB ALA 92 1HB ALA 92 4.073 -17.219 2.959 659 2HB ALA 92 2HB ALA 92 3.277 -18.699 2.426 660 3HB ALA 92 3HB ALA 92 2.937 -18.042 4.027 661 H LYS 93 H LYS 93 3.545 -15.941 0.696 662 HA LYS 93 HA LYS 93 3.957 -13.355 1.965 663 1HB LYS 93 1HB LYS 93 4.782 -14.898 -0.421 664 2HB LYS 93 2HB LYS 93 4.850 -13.152 -0.605 665 1HG LYS 93 1HG LYS 93 6.130 -13.086 1.587 666 2HG LYS 93 2HG LYS 93 6.221 -14.845 1.492 667 1HD LYS 93 1HD LYS 93 7.319 -14.639 -0.735 668 2HD LYS 93 2HD LYS 93 7.300 -12.884 -0.556 669 1HE LYS 93 1HE LYS 93 8.812 -12.949 1.291 670 2HE LYS 93 2HE LYS 93 8.597 -14.700 1.496 671 1HZ LYS 93 1HZ LYS 93 9.819 -13.311 -0.829 672 2HZ LYS 93 2HZ LYS 93 9.448 -14.968 -0.800 673 3HZ LYS 93 3HZ LYS 93 10.606 -14.335 0.271 674 H LYS 94 H LYS 94 1.727 -14.727 -0.352 675 HA LYS 94 HA LYS 94 0.862 -12.178 -1.494 676 1HB LYS 94 1HB LYS 94 0.454 -15.011 -1.839 677 2HB LYS 94 2HB LYS 94 -1.112 -14.203 -1.771 678 1HG LYS 94 1HG LYS 94 0.345 -12.490 -3.362 679 2HG LYS 94 2HG LYS 94 0.975 -14.068 -3.841 680 1HD LYS 94 1HD LYS 94 -1.847 -14.332 -3.593 681 2HD LYS 94 2HD LYS 94 -1.539 -12.873 -4.535 682 1HE LYS 94 1HE LYS 94 -1.291 -14.303 -6.300 683 2HE LYS 94 2HE LYS 94 0.290 -14.677 -5.588 684 1HZ LYS 94 1HZ LYS 94 -0.934 -16.283 -4.116 685 2HZ LYS 94 2HZ LYS 94 -0.850 -16.724 -5.755 686 3HZ LYS 94 3HZ LYS 94 -2.285 -16.072 -5.120 687 H LYS 95 H LYS 95 -0.001 -14.154 1.269 688 HA LYS 95 HA LYS 95 -2.515 -12.700 1.785 689 1HB LYS 95 1HB LYS 95 -2.776 -14.328 3.494 690 2HB LYS 95 2HB LYS 95 -1.916 -15.187 2.217 691 1HG LYS 95 1HG LYS 95 -0.388 -15.711 3.797 692 2HG LYS 95 2HG LYS 95 0.130 -14.029 3.686 693 1HD LYS 95 1HD LYS 95 -2.079 -13.867 5.336 694 2HD LYS 95 2HD LYS 95 -1.338 -15.389 5.831 695 1HE LYS 95 1HE LYS 95 0.892 -13.892 5.700 696 2HE LYS 95 2HE LYS 95 -0.279 -12.610 6.068 697 1HZ LYS 95 1HZ LYS 95 0.281 -15.079 7.596 698 2HZ LYS 95 2HZ LYS 95 -1.189 -14.248 7.776 699 3HZ LYS 95 3HZ LYS 95 0.277 -13.476 8.149 700 H GLU 96 H GLU 96 0.841 -12.494 2.610 701 HA GLU 96 HA GLU 96 0.370 -10.767 4.975 702 1HB GLU 96 1HB GLU 96 2.769 -11.031 5.231 703 2HB GLU 96 2HB GLU 96 2.105 -12.598 4.807 704 1HG GLU 96 1HG GLU 96 2.763 -12.294 2.501 705 2HG GLU 96 2HG GLU 96 3.322 -10.658 2.846 706 H LEU 97 H LEU 97 1.837 -10.642 1.763 707 HA LEU 97 HA LEU 97 2.430 -7.786 1.878 708 1HB LEU 97 1HB LEU 97 2.339 -9.791 -0.387 709 2HB LEU 97 2HB LEU 97 3.113 -8.208 -0.451 710 HG LEU 97 HG LEU 97 3.893 -10.592 1.226 711 1HD1 LEU 97 1HD1 LEU 97 5.082 -8.945 -0.969 712 2HD1 LEU 97 2HD1 LEU 97 5.041 -10.698 -0.784 713 3HD1 LEU 97 3HD1 LEU 97 6.154 -9.733 0.187 714 1HD2 LEU 97 1HD2 LEU 97 5.703 -8.734 1.948 715 2HD2 LEU 97 2HD2 LEU 97 4.221 -9.004 2.865 716 3HD2 LEU 97 3HD2 LEU 97 4.311 -7.678 1.706 717 H THR 98 H THR 98 0.304 -9.627 -0.338 718 HA THR 98 HA THR 98 -1.265 -7.167 -0.822 719 HB THR 98 HB THR 98 -2.343 -8.686 -2.526 720 HG1 THR 98 1HG THR 98 -2.073 -10.711 -2.044 721 1HG2 THR 98 1HG2 THR 98 0.056 -7.382 -2.582 722 2HG2 THR 98 2HG2 THR 98 -0.661 -8.186 -3.976 723 3HG2 THR 98 3HG2 THR 98 0.551 -9.020 -3.002 724 H GLY 99 H GLY 99 -1.506 -10.086 1.037 725 1HA GLY 99 1HA GLY 99 -4.249 -10.537 1.190 726 2HA GLY 99 2HA GLY 99 -3.173 -10.700 2.581 727 H CYS 100 H CYS 100 -5.925 -9.244 1.751 728 HA CYS 100 HA CYS 100 -5.420 -6.541 2.739 729 1HB CYS 100 1HB CYS 100 -8.165 -7.577 2.810 730 2HB CYS 100 2HB CYS 100 -7.543 -6.158 2.010 731 H LYS 101 H LYS 101 -7.555 -9.117 3.958 732 HA LYS 101 HA LYS 101 -7.175 -8.008 6.690 733 1HB LYS 101 1HB LYS 101 -9.078 -10.143 5.675 734 2HB LYS 101 2HB LYS 101 -9.208 -9.242 7.186 735 1HG LYS 101 1HG LYS 101 -9.628 -7.183 6.017 736 2HG LYS 101 2HG LYS 101 -9.238 -7.920 4.463 737 1HD LYS 101 1HD LYS 101 -11.173 -9.595 5.130 738 2HD LYS 101 2HD LYS 101 -11.687 -8.256 6.157 739 1HE LYS 101 1HE LYS 101 -11.950 -6.787 4.291 740 2HE LYS 101 2HE LYS 101 -11.073 -7.890 3.210 741 1HZ LYS 101 1HZ LYS 101 -13.273 -8.419 2.785 742 2HZ LYS 101 2HZ LYS 101 -13.755 -8.208 4.400 743 3HZ LYS 101 3HZ LYS 101 -12.853 -9.576 3.950 744 H GLY 102 H GLY 102 -5.500 -8.948 7.806 745 1HA GLY 102 1HA GLY 102 -4.802 -10.961 9.059 746 2HA GLY 102 2HA GLY 102 -5.231 -11.919 7.641 747 H SER 103 H SER 103 -3.874 -9.306 6.295 748 HA SER 103 HA SER 103 -1.332 -10.671 5.805 749 1HB SER 103 1HB SER 103 -1.028 -8.775 4.261 750 2HB SER 103 2HB SER 103 -2.633 -9.464 4.079 751 HG SER 103 HG SER 103 -2.157 -7.003 4.471 752 H LYS 104 H LYS 104 0.212 -8.231 5.529 753 HA LYS 104 HA LYS 104 0.946 -7.794 8.389 754 1HB LYS 104 1HB LYS 104 2.314 -7.322 5.721 755 2HB LYS 104 2HB LYS 104 3.053 -7.003 7.289 756 1HG LYS 104 1HG LYS 104 1.888 -9.715 6.857 757 2HG LYS 104 2HG LYS 104 3.399 -9.341 6.026 758 1HD LYS 104 1HD LYS 104 4.240 -8.496 8.311 759 2HD LYS 104 2HD LYS 104 2.850 -9.341 8.995 760 1HE LYS 104 1HE LYS 104 3.614 -11.458 7.991 761 2HE LYS 104 2HE LYS 104 5.001 -10.620 7.266 762 1HZ LYS 104 1HZ LYS 104 5.987 -10.297 9.271 763 2HZ LYS 104 2HZ LYS 104 5.144 -11.722 9.653 764 3HZ LYS 104 3HZ LYS 104 4.519 -10.212 10.118 765 H CYS 105 H CYS 105 -0.168 -6.302 5.475 766 HA CYS 105 HA CYS 105 0.321 -3.546 6.266 767 1HB CYS 105 1HB CYS 105 -0.141 -5.014 3.974 768 2HB CYS 105 2HB CYS 105 -1.657 -4.173 4.197 769 H HIS 106 H HIS 106 -2.319 -5.845 6.620 770 HA HIS 106 HA HIS 106 -4.001 -3.661 7.814 771 1HB HIS 106 1HB HIS 106 -4.542 -5.983 6.014 772 2HB HIS 106 2HB HIS 106 -5.813 -5.508 7.142 773 HD1 HIS 106 HD1 HIS 106 -5.122 -2.413 7.047 774 HD2 HIS 106 HD2 HIS 106 -5.794 -4.851 3.714 775 HE1 HIS 106 HE1 HIS 106 -5.712 -0.861 5.141 776 H SER 107 H SER 107 -2.467 -4.503 9.718 777 HA SER 107 HA SER 107 -3.397 -7.036 10.928 778 1HB SER 107 1HB SER 107 -1.123 -5.238 11.050 779 2HB SER 107 2HB SER 107 -1.702 -5.613 12.670 780 HG SER 107 HG SER 107 -0.931 -7.545 12.432 781 HHA HEC 201 HHA HEC 201 5.899 8.572 5.614 782 HHB HEC 201 HHB HEC 201 11.974 9.839 4.636 783 HHC HEC 201 HHC HEC 201 12.508 4.679 1.016 784 HHD HEC 201 HHD HEC 201 6.404 3.557 1.744 785 1HMA HEC 201 1HMA HEC 201 10.077 12.014 6.173 786 2HMA HEC 201 2HMA HEC 201 11.219 10.790 6.726 787 3HMA HEC 201 3HMA HEC 201 9.728 11.074 7.625 788 1HAA HEC 201 1HAA HEC 201 6.686 9.476 7.498 789 2HAA HEC 201 2HAA HEC 201 7.841 10.769 7.803 790 1HBA HEC 201 1HBA HEC 201 6.577 11.442 5.383 791 2HBA HEC 201 2HBA HEC 201 5.289 10.896 6.456 792 1HMB HEC 201 1HMB HEC 201 15.043 8.343 4.244 793 2HMB HEC 201 2HMB HEC 201 14.820 9.249 2.747 794 3HMB HEC 201 3HMB HEC 201 13.919 9.702 4.194 795 HAB HEC 201 HAB HEC 201 14.355 5.525 1.120 796 1HBB HEC 201 1HBB HEC 201 15.341 6.134 3.822 797 2HBB HEC 201 2HBB HEC 201 16.600 6.170 2.587 798 3HBB HEC 201 3HBB HEC 201 15.629 4.716 2.815 799 1HMC HEC 201 1HMC HEC 201 11.718 1.847 0.622 800 2HMC HEC 201 2HMC HEC 201 10.665 1.997 -0.784 801 3HMC HEC 201 3HMC HEC 201 11.919 3.201 -0.488 802 HAC HEC 201 HAC HEC 201 7.024 2.237 0.578 803 1HBC HEC 201 1HBC HEC 201 8.985 0.365 -0.513 804 2HBC HEC 201 2HBC HEC 201 7.647 0.068 0.597 805 3HBC HEC 201 3HBC HEC 201 9.194 0.641 1.216 806 1HMD HEC 201 1HMD HEC 201 3.379 4.506 2.756 807 2HMD HEC 201 2HMD HEC 201 4.592 3.266 3.075 808 3HMD HEC 201 3HMD HEC 201 3.705 3.993 4.413 809 1HAD HEC 201 1HAD HEC 201 4.163 7.851 5.508 810 2HAD HEC 201 2HAD HEC 201 3.155 7.252 4.196 811 1HBD HEC 201 1HBD HEC 201 2.680 5.229 5.340 812 2HBD HEC 201 2HBD HEC 201 3.997 5.478 6.487 813 HHA HEC 202 HHA HEC 202 1.645 7.679 -9.454 814 HHB HEC 202 HHB HEC 202 2.879 4.128 -4.769 815 HHC HEC 202 HHC HEC 202 4.560 8.985 -1.193 816 HHD HEC 202 HHD HEC 202 2.567 12.927 -5.796 817 1HMA HEC 202 1HMA HEC 202 0.979 3.242 -5.837 818 2HMA HEC 202 2HMA HEC 202 2.161 2.831 -7.081 819 3HMA HEC 202 3HMA HEC 202 0.506 3.239 -7.535 820 1HAA HEC 202 1HAA HEC 202 1.203 5.215 -9.972 821 2HAA HEC 202 2HAA HEC 202 0.074 4.400 -8.932 822 1HBA HEC 202 1HBA HEC 202 -1.262 6.401 -8.712 823 2HBA HEC 202 2HBA HEC 202 -0.087 7.332 -9.631 824 1HMB HEC 202 1HMB HEC 202 2.875 3.595 -2.142 825 2HMB HEC 202 2HMB HEC 202 4.334 3.350 -3.102 826 3HMB HEC 202 3HMB HEC 202 4.463 3.785 -1.397 827 HAB HEC 202 HAB HEC 202 4.278 7.066 0.130 828 1HBB HEC 202 1HBB HEC 202 6.413 5.116 -0.017 829 2HBB HEC 202 2HBB HEC 202 6.489 6.806 0.481 830 3HBB HEC 202 3HBB HEC 202 6.647 6.380 -1.223 831 1HMC HEC 202 1HMC HEC 202 4.049 12.072 -0.444 832 2HMC HEC 202 2HMC HEC 202 5.369 10.947 -0.761 833 3HMC HEC 202 3HMC HEC 202 5.475 12.613 -1.330 834 HAC HEC 202 HAC HEC 202 2.733 14.038 -4.007 835 1HBC HEC 202 1HBC HEC 202 4.344 15.513 -3.177 836 2HBC HEC 202 2HBC HEC 202 5.359 14.094 -3.445 837 3HBC HEC 202 3HBC HEC 202 4.758 14.457 -1.826 838 1HMD HEC 202 1HMD HEC 202 1.701 12.981 -9.658 839 2HMD HEC 202 2HMD HEC 202 2.824 13.528 -8.411 840 3HMD HEC 202 3HMD HEC 202 1.097 13.440 -8.066 841 1HAD HEC 202 1HAD HEC 202 1.922 9.292 -10.695 842 2HAD HEC 202 2HAD HEC 202 1.166 10.872 -10.829 843 1HBD HEC 202 1HBD HEC 202 3.662 11.690 -10.354 844 2HBD HEC 202 2HBD HEC 202 4.040 10.115 -11.052 845 HHA HEC 203 HHA HEC 203 7.126 -6.844 4.596 846 HHB HEC 203 HHB HEC 203 2.784 -2.045 4.925 847 HHC HEC 203 HHC HEC 203 4.689 0.064 -0.470 848 HHD HEC 203 HHD HEC 203 9.002 -4.495 -0.943 849 1HMA HEC 203 1HMA HEC 203 3.035 -5.106 7.448 850 2HMA HEC 203 2HMA HEC 203 2.218 -3.861 6.501 851 3HMA HEC 203 3HMA HEC 203 3.520 -3.418 7.607 852 1HAA HEC 203 1HAA HEC 203 4.841 -6.138 7.678 853 2HAA HEC 203 2HAA HEC 203 4.659 -7.331 6.398 854 1HBA HEC 203 1HBA HEC 203 6.906 -7.725 6.261 855 2HBA HEC 203 2HBA HEC 203 7.325 -6.044 6.591 856 1HMB HEC 203 1HMB HEC 203 1.380 -0.520 4.336 857 2HMB HEC 203 2HMB HEC 203 2.546 0.688 4.872 858 3HMB HEC 203 3HMB HEC 203 1.522 1.011 3.473 859 HAB HEC 203 HAB HEC 203 2.733 0.909 0.143 860 1HBB HEC 203 1HBB HEC 203 4.273 2.556 -0.015 861 2HBB HEC 203 2HBB HEC 203 4.814 2.280 1.641 862 3HBB HEC 203 3HBB HEC 203 3.452 3.357 1.325 863 1HMC HEC 203 1HMC HEC 203 5.588 0.345 -2.198 864 2HMC HEC 203 2HMC HEC 203 7.234 0.218 -2.823 865 3HMC HEC 203 3HMC HEC 203 5.949 -0.773 -3.513 866 HAC HEC 203 HAC HEC 203 9.221 -3.354 -2.579 867 1HBC HEC 203 1HBC HEC 203 9.888 -1.580 -3.963 868 2HBC HEC 203 2HBC HEC 203 9.179 -0.726 -2.593 869 3HBC HEC 203 3HBC HEC 203 8.252 -0.930 -4.077 870 1HMD HEC 203 1HMD HEC 203 10.054 -7.722 0.213 871 2HMD HEC 203 2HMD HEC 203 11.049 -6.517 1.032 872 3HMD HEC 203 3HMD HEC 203 10.244 -6.113 -0.485 873 1HAD HEC 203 1HAD HEC 203 10.158 -7.840 3.104 874 2HAD HEC 203 2HAD HEC 203 8.720 -7.912 4.114 875 1HBD HEC 203 1HBD HEC 203 7.608 -9.381 2.583 876 2HBD HEC 203 2HBD HEC 203 8.838 -9.123 1.346 877 HHA HEC 204 HHA HEC 204 -6.854 2.184 3.876 878 HHB HEC 204 HHB HEC 204 -10.121 -2.315 1.010 879 HHC HEC 204 HHC HEC 204 -4.803 -5.912 0.943 880 HHD HEC 204 HHD HEC 204 -1.499 -0.913 2.625 881 1HMA HEC 204 1HMA HEC 204 -11.715 0.136 3.088 882 2HMA HEC 204 2HMA HEC 204 -11.497 -0.971 1.733 883 3HMA HEC 204 3HMA HEC 204 -11.396 0.771 1.474 884 1HAA HEC 204 1HAA HEC 204 -9.988 1.963 4.597 885 2HAA HEC 204 2HAA HEC 204 -8.601 2.804 3.913 886 1HBA HEC 204 1HBA HEC 204 -9.838 3.135 1.802 887 2HBA HEC 204 2HBA HEC 204 -11.218 2.282 2.487 888 1HMB HEC 204 1HMB HEC 204 -10.583 -3.941 -0.205 889 2HMB HEC 204 2HMB HEC 204 -10.225 -5.660 -0.037 890 3HMB HEC 204 3HMB HEC 204 -9.774 -4.807 -1.513 891 HAB HEC 204 HAB HEC 204 -6.455 -7.012 0.276 892 1HBB HEC 204 1HBB HEC 204 -5.734 -6.288 -1.869 893 2HBB HEC 204 2HBB HEC 204 -7.380 -5.909 -2.379 894 3HBB HEC 204 3HBB HEC 204 -6.883 -7.590 -2.177 895 1HMC HEC 204 1HMC HEC 204 -1.611 -6.034 0.487 896 2HMC HEC 204 2HMC HEC 204 -1.521 -6.124 2.245 897 3HMC HEC 204 3HMC HEC 204 -2.997 -6.610 1.413 898 HAC HEC 204 HAC HEC 204 -0.428 -2.422 2.891 899 1HBC HEC 204 1HBC HEC 204 0.187 -2.557 0.432 900 2HBC HEC 204 2HBC HEC 204 0.423 -4.290 0.653 901 3HBC HEC 204 3HBC HEC 204 1.438 -3.143 1.528 902 1HMD HEC 204 1HMD HEC 204 -1.382 1.563 4.563 903 2HMD HEC 204 2HMD HEC 204 -0.951 1.126 2.909 904 3HMD HEC 204 3HMD HEC 204 -1.596 2.730 3.257 905 1HAD HEC 204 1HAD HEC 204 -3.785 3.884 3.566 906 2HAD HEC 204 2HAD HEC 204 -5.421 3.473 4.066 907 1HBD HEC 204 1HBD HEC 204 -4.127 2.277 6.060 908 2HBD HEC 204 2HBD HEC 204 -2.900 3.478 5.657 Start of MODEL 14 1 1H ALA 1 1H ALA 1 19.864 15.159 2.094 2 2H ALA 1 2H ALA 1 19.130 14.559 0.684 3 3H ALA 1 3H ALA 1 20.821 14.523 0.847 4 HA ALA 1 HA ALA 1 19.689 12.325 1.215 5 1HB ALA 1 1HB ALA 1 21.415 13.756 3.250 6 2HB ALA 1 2HB ALA 1 21.942 12.705 1.935 7 3HB ALA 1 3HB ALA 1 21.109 12.021 3.331 8 HA PRO 2 HA PRO 2 16.132 13.175 3.854 9 1HB PRO 2 1HB PRO 2 14.800 10.883 3.184 10 2HB PRO 2 2HB PRO 2 14.784 12.334 2.172 11 1HG PRO 2 1HG PRO 2 16.366 9.837 1.870 12 2HG PRO 2 2HG PRO 2 15.621 10.857 0.630 13 1HD PRO 2 1HD PRO 2 18.290 10.893 1.229 14 2HD PRO 2 2HD PRO 2 17.410 12.277 0.543 15 H LYS 3 H LYS 3 15.627 12.357 5.920 16 HA LYS 3 HA LYS 3 17.327 10.080 6.849 17 1HB LYS 3 1HB LYS 3 15.831 12.192 8.409 18 2HB LYS 3 2HB LYS 3 17.036 11.070 9.035 19 1HG LYS 3 1HG LYS 3 18.769 12.327 8.280 20 2HG LYS 3 2HG LYS 3 17.979 12.633 6.732 21 1HD LYS 3 1HD LYS 3 16.749 14.462 7.588 22 2HD LYS 3 2HD LYS 3 17.039 13.984 9.261 23 1HE LYS 3 1HE LYS 3 18.465 15.918 8.627 24 2HE LYS 3 2HE LYS 3 19.462 14.489 8.968 25 1HZ LYS 3 1HZ LYS 3 19.803 15.776 6.753 26 2HZ LYS 3 2HZ LYS 3 18.420 14.927 6.250 27 3HZ LYS 3 3HZ LYS 3 19.808 14.080 6.744 28 H ALA 4 H ALA 4 15.851 8.481 6.055 29 HA ALA 4 HA ALA 4 13.137 8.155 6.298 30 1HB ALA 4 1HB ALA 4 13.662 5.974 5.878 31 2HB ALA 4 2HB ALA 4 14.675 5.852 7.317 32 3HB ALA 4 3HB ALA 4 15.328 6.552 5.837 33 HA PRO 5 HA PRO 5 12.386 8.534 10.623 34 1HB PRO 5 1HB PRO 5 9.745 7.806 10.586 35 2HB PRO 5 2HB PRO 5 10.336 9.396 10.075 36 1HG PRO 5 1HG PRO 5 9.384 7.132 8.441 37 2HG PRO 5 2HG PRO 5 9.392 8.862 8.090 38 1HD PRO 5 1HD PRO 5 11.197 6.957 7.090 39 2HD PRO 5 2HD PRO 5 11.357 8.720 6.989 40 H ALA 6 H ALA 6 11.795 7.167 12.458 41 HA ALA 6 HA ALA 6 12.883 4.567 12.399 42 1HB ALA 6 1HB ALA 6 10.903 5.933 14.242 43 2HB ALA 6 2HB ALA 6 12.655 5.863 14.427 44 3HB ALA 6 3HB ALA 6 11.688 4.400 14.622 45 H ASP 7 H ASP 7 11.930 2.536 12.303 46 HA ASP 7 HA ASP 7 9.681 2.123 10.602 47 1HB ASP 7 1HB ASP 7 10.749 0.204 12.680 48 2HB ASP 7 2HB ASP 7 10.088 -0.173 11.090 49 H GLY 8 H GLY 8 7.636 1.105 11.270 50 1HA GLY 8 1HA GLY 8 5.964 0.573 12.946 51 2HA GLY 8 2HA GLY 8 6.841 1.587 14.089 52 H LEU 9 H LEU 9 6.475 2.937 10.953 53 HA LEU 9 HA LEU 9 5.055 5.231 11.851 54 1HB LEU 9 1HB LEU 9 6.159 4.145 9.447 55 2HB LEU 9 2HB LEU 9 4.513 4.668 9.088 56 HG LEU 9 HG LEU 9 6.057 6.550 10.757 57 1HD1 LEU 9 1HD1 LEU 9 7.071 7.357 8.416 58 2HD1 LEU 9 2HD1 LEU 9 7.018 5.626 8.086 59 3HD1 LEU 9 3HD1 LEU 9 7.939 6.233 9.462 60 1HD2 LEU 9 1HD2 LEU 9 4.650 7.034 8.124 61 2HD2 LEU 9 2HD2 LEU 9 4.906 8.169 9.447 62 3HD2 LEU 9 3HD2 LEU 9 3.746 6.848 9.629 63 H LYS 10 H LYS 10 2.822 5.707 10.609 64 HA LYS 10 HA LYS 10 1.042 3.350 10.596 65 1HB LYS 10 1HB LYS 10 1.184 5.453 12.700 66 2HB LYS 10 2HB LYS 10 -0.420 4.900 12.213 67 1HG LYS 10 1HG LYS 10 0.577 2.511 12.471 68 2HG LYS 10 2HG LYS 10 1.827 3.310 13.428 69 1HD LYS 10 1HD LYS 10 -0.502 4.419 14.427 70 2HD LYS 10 2HD LYS 10 -0.970 2.747 14.112 71 1HE LYS 10 1HE LYS 10 0.866 1.911 15.471 72 2HE LYS 10 2HE LYS 10 1.506 3.554 15.679 73 1HZ LYS 10 1HZ LYS 10 -0.151 4.130 17.083 74 2HZ LYS 10 2HZ LYS 10 -0.204 2.459 17.388 75 3HZ LYS 10 3HZ LYS 10 -1.309 3.165 16.307 76 H MET 11 H MET 11 0.201 3.720 8.594 77 HA MET 11 HA MET 11 -0.460 6.415 7.640 78 1HB MET 11 1HB MET 11 -0.241 3.656 6.647 79 2HB MET 11 2HB MET 11 -1.622 4.516 5.966 80 1HG MET 11 1HG MET 11 1.271 5.402 5.909 81 2HG MET 11 2HG MET 11 0.293 4.901 4.533 82 1HE MET 11 1HE MET 11 1.526 6.765 3.789 83 2HE MET 11 2HE MET 11 1.292 8.470 4.164 84 3HE MET 11 3HE MET 11 0.210 7.669 3.025 85 H ASP 12 H ASP 12 -2.132 7.228 8.958 86 HA ASP 12 HA ASP 12 -4.544 5.475 9.285 87 1HB ASP 12 1HB ASP 12 -5.008 7.304 11.071 88 2HB ASP 12 2HB ASP 12 -3.716 6.148 11.374 89 H LYS 13 H LYS 13 -3.735 7.341 6.965 90 HA LYS 13 HA LYS 13 -5.423 9.608 6.841 91 1HB LYS 13 1HB LYS 13 -4.268 7.634 4.887 92 2HB LYS 13 2HB LYS 13 -5.297 8.945 4.316 93 1HG LYS 13 1HG LYS 13 -2.778 9.259 5.978 94 2HG LYS 13 2HG LYS 13 -2.929 9.622 4.258 95 1HD LYS 13 1HD LYS 13 -4.914 11.159 5.049 96 2HD LYS 13 2HD LYS 13 -4.093 11.082 6.608 97 1HE LYS 13 1HE LYS 13 -1.948 11.660 5.158 98 2HE LYS 13 2HE LYS 13 -3.158 12.319 4.039 99 1HZ LYS 13 1HZ LYS 13 -4.134 13.205 6.322 100 2HZ LYS 13 2HZ LYS 13 -2.992 14.089 5.427 101 3HZ LYS 13 3HZ LYS 13 -2.496 13.156 6.757 102 H THR 14 H THR 14 -6.134 6.196 6.505 103 HA THR 14 HA THR 14 -8.987 6.840 5.817 104 HB THR 14 HB THR 14 -8.968 4.465 4.973 105 HG1 THR 14 1HG THR 14 -7.336 3.297 5.517 106 1HG2 THR 14 1HG2 THR 14 -6.830 6.285 3.842 107 2HG2 THR 14 2HG2 THR 14 -8.551 6.378 3.470 108 3HG2 THR 14 3HG2 THR 14 -7.618 4.962 2.983 109 H LYS 15 H LYS 15 -10.449 4.899 6.645 110 HA LYS 15 HA LYS 15 -10.406 4.911 9.523 111 1HB LYS 15 1HB LYS 15 -11.964 3.763 7.284 112 2HB LYS 15 2HB LYS 15 -12.040 2.834 8.782 113 1HG LYS 15 1HG LYS 15 -13.478 4.331 9.644 114 2HG LYS 15 2HG LYS 15 -12.273 5.605 9.447 115 1HD LYS 15 1HD LYS 15 -13.004 5.995 7.151 116 2HD LYS 15 2HD LYS 15 -14.145 4.655 7.260 117 1HE LYS 15 1HE LYS 15 -15.654 6.241 7.908 118 2HE LYS 15 2HE LYS 15 -14.805 6.211 9.467 119 1HZ LYS 15 1HZ LYS 15 -14.831 8.452 8.561 120 2HZ LYS 15 2HZ LYS 15 -14.094 7.908 7.130 121 3HZ LYS 15 3HZ LYS 15 -13.245 7.853 8.600 122 H GLN 16 H GLN 16 -8.977 2.863 7.099 123 HA GLN 16 HA GLN 16 -8.270 0.799 9.140 124 1HB GLN 16 1HB GLN 16 -8.293 0.912 6.114 125 2HB GLN 16 2HB GLN 16 -7.592 -0.439 7.006 126 1HG GLN 16 1HG GLN 16 -9.684 -1.019 7.982 127 2HG GLN 16 2HG GLN 16 -10.417 0.512 7.501 128 1HE2 GLN 16 2HE2 GLN 16 -8.526 -1.977 5.684 129 2HE2 GLN 16 1HE2 GLN 16 -9.673 -2.152 4.447 130 HA PRO 17 HA PRO 17 -4.492 3.406 8.690 131 1HB PRO 17 1HB PRO 17 -3.710 3.114 11.302 132 2HB PRO 17 2HB PRO 17 -4.839 4.371 10.756 133 1HG PRO 17 1HG PRO 17 -5.414 1.745 12.048 134 2HG PRO 17 2HG PRO 17 -6.159 3.326 12.333 135 1HD PRO 17 1HD PRO 17 -7.349 1.416 10.837 136 2HD PRO 17 2HD PRO 17 -7.551 3.152 10.505 137 H VAL 18 H VAL 18 -2.479 2.555 8.210 138 HA VAL 18 HA VAL 18 -1.917 -0.256 9.079 139 HB VAL 18 HB VAL 18 -1.617 1.201 6.448 140 1HG1 VAL 18 1HG1 VAL 18 0.504 0.010 7.051 141 2HG1 VAL 18 2HG1 VAL 18 -0.289 -0.650 5.620 142 3HG1 VAL 18 3HG1 VAL 18 -0.421 -1.487 7.167 143 1HG2 VAL 18 1HG2 VAL 18 -2.625 -1.226 5.873 144 2HG2 VAL 18 2HG2 VAL 18 -3.652 0.124 6.353 145 3HG2 VAL 18 3HG2 VAL 18 -3.181 -1.093 7.541 146 H VAL 19 H VAL 19 0.174 -0.626 9.813 147 HA VAL 19 HA VAL 19 1.872 1.751 10.283 148 HB VAL 19 HB VAL 19 2.027 -1.154 11.145 149 1HG1 VAL 19 1HG1 VAL 19 3.389 1.026 12.646 150 2HG1 VAL 19 2HG1 VAL 19 4.119 0.549 11.113 151 3HG1 VAL 19 3HG1 VAL 19 3.891 -0.646 12.390 152 1HG2 VAL 19 1HG2 VAL 19 1.431 0.986 13.094 153 2HG2 VAL 19 2HG2 VAL 19 0.710 -0.615 12.925 154 3HG2 VAL 19 3HG2 VAL 19 0.170 0.709 11.893 155 H PHE 20 H PHE 20 3.649 2.174 8.997 156 HA PHE 20 HA PHE 20 4.562 -0.006 7.157 157 1HB PHE 20 1HB PHE 20 3.712 2.000 6.059 158 2HB PHE 20 2HB PHE 20 4.778 3.021 7.022 159 HD1 PHE 20 HD1 PHE 20 4.926 0.046 4.757 160 HD2 PHE 20 HD2 PHE 20 6.869 3.620 6.122 161 HE1 PHE 20 HE1 PHE 20 6.732 -0.299 3.097 162 HE2 PHE 20 HE2 PHE 20 8.670 3.274 4.463 163 HZ PHE 20 HZ PHE 20 8.606 1.314 2.952 164 H ASN 21 H ASN 21 6.399 -0.985 7.906 165 HA ASN 21 HA ASN 21 8.240 0.474 9.700 166 1HB ASN 21 1HB ASN 21 7.335 -2.212 9.172 167 2HB ASN 21 2HB ASN 21 9.088 -2.147 9.069 168 1HD2 ASN 21 2HD2 ASN 21 6.503 -0.825 11.215 169 2HD2 ASN 21 1HD2 ASN 21 7.351 -1.115 12.656 170 H HIS 22 H HIS 22 9.463 1.871 8.329 171 HA HIS 22 HA HIS 22 10.378 1.420 5.726 172 1HB HIS 22 1HB HIS 22 11.423 2.860 8.146 173 2HB HIS 22 2HB HIS 22 12.421 2.797 6.695 174 HD1 HIS 22 HD1 HIS 22 9.597 4.575 8.187 175 HD2 HIS 22 HD2 HIS 22 10.981 3.902 4.308 176 HE1 HIS 22 HE1 HIS 22 8.544 6.356 6.732 177 H SER 23 H SER 23 11.606 0.113 8.775 178 HA SER 23 HA SER 23 14.113 -0.901 8.052 179 1HB SER 23 1HB SER 23 13.144 -2.877 9.607 180 2HB SER 23 2HB SER 23 13.559 -1.294 10.256 181 HG SER 23 HG SER 23 11.110 -2.490 9.903 182 H THR 24 H THR 24 10.899 -2.313 7.427 183 HA THR 24 HA THR 24 11.977 -4.643 6.030 184 HB THR 24 HB THR 24 9.212 -3.959 5.458 185 HG1 THR 24 1HG THR 24 8.826 -2.948 7.251 186 1HG2 THR 24 1HG2 THR 24 10.750 -6.200 6.038 187 2HG2 THR 24 2HG2 THR 24 8.997 -6.169 5.848 188 3HG2 THR 24 3HG2 THR 24 9.712 -6.029 7.454 189 H HIS 25 H HIS 25 11.906 -1.444 5.202 190 HA HIS 25 HA HIS 25 11.606 -2.069 2.299 191 1HB HIS 25 1HB HIS 25 10.810 0.375 3.907 192 2HB HIS 25 2HB HIS 25 10.617 0.194 2.167 193 HD1 HIS 25 HD1 HIS 25 9.269 -1.030 5.435 194 HD2 HIS 25 HD2 HIS 25 8.583 -1.661 1.372 195 HE1 HIS 25 HE1 HIS 25 7.126 -2.368 5.271 196 H LYS 26 H LYS 26 13.650 -0.891 4.774 197 HA LYS 26 HA LYS 26 15.162 1.156 3.597 198 1HB LYS 26 1HB LYS 26 16.097 -1.262 5.182 199 2HB LYS 26 2HB LYS 26 16.995 0.246 5.004 200 1HG LYS 26 1HG LYS 26 14.870 1.388 5.940 201 2HG LYS 26 2HG LYS 26 14.399 -0.229 6.459 202 1HD LYS 26 1HD LYS 26 16.435 -0.458 7.768 203 2HD LYS 26 2HD LYS 26 17.038 1.085 7.162 204 1HE LYS 26 1HE LYS 26 14.357 1.287 8.358 205 2HE LYS 26 2HE LYS 26 15.614 0.785 9.507 206 1HZ LYS 26 1HZ LYS 26 17.022 2.588 8.509 207 2HZ LYS 26 2HZ LYS 26 15.698 3.134 9.423 208 3HZ LYS 26 3HZ LYS 26 15.630 3.157 7.725 209 H ALA 27 H ALA 27 15.048 -2.263 2.808 210 HA ALA 27 HA ALA 27 17.404 -2.148 1.045 211 1HB ALA 27 1HB ALA 27 15.391 -4.365 1.040 212 2HB ALA 27 2HB ALA 27 16.310 -4.089 2.519 213 3HB ALA 27 3HB ALA 27 17.152 -4.457 1.013 214 H VAL 28 H VAL 28 14.161 -1.235 0.816 215 HA VAL 28 HA VAL 28 13.728 -1.975 -1.991 216 HB VAL 28 HB VAL 28 12.305 -0.258 0.054 217 1HG1 VAL 28 1HG1 VAL 28 11.817 0.699 -2.117 218 2HG1 VAL 28 2HG1 VAL 28 10.416 -0.227 -1.583 219 3HG1 VAL 28 3HG1 VAL 28 11.508 -0.901 -2.793 220 1HG2 VAL 28 1HG2 VAL 28 10.961 -2.091 0.432 221 2HG2 VAL 28 2HG2 VAL 28 12.430 -2.936 -0.059 222 3HG2 VAL 28 3HG2 VAL 28 11.128 -2.680 -1.222 223 H LYS 29 H LYS 29 13.024 0.023 -3.442 224 HA LYS 29 HA LYS 29 15.348 1.847 -3.444 225 1HB LYS 29 1HB LYS 29 13.521 0.683 -5.336 226 2HB LYS 29 2HB LYS 29 13.518 2.440 -5.504 227 1HG LYS 29 1HG LYS 29 15.335 1.965 -6.835 228 2HG LYS 29 2HG LYS 29 16.149 2.095 -5.274 229 1HD LYS 29 1HD LYS 29 15.328 -0.530 -5.268 230 2HD LYS 29 2HD LYS 29 15.716 -0.274 -6.970 231 1HE LYS 29 1HE LYS 29 17.742 0.941 -5.275 232 2HE LYS 29 2HE LYS 29 17.561 -0.788 -4.915 233 1HZ LYS 29 1HZ LYS 29 17.802 -1.336 -7.189 234 2HZ LYS 29 2HZ LYS 29 19.064 -0.254 -6.838 235 3HZ LYS 29 3HZ LYS 29 17.688 0.284 -7.678 236 H CYS 30 H CYS 30 15.057 3.463 -2.007 237 HA CYS 30 HA CYS 30 12.740 4.634 -0.996 238 1HB CYS 30 1HB CYS 30 15.466 5.724 -1.710 239 2HB CYS 30 2HB CYS 30 14.252 6.756 -0.954 240 H GLY 31 H GLY 31 14.068 4.884 -4.205 241 1HA GLY 31 1HA GLY 31 12.360 7.182 -4.921 242 2HA GLY 31 2HA GLY 31 13.497 6.361 -5.995 243 H ASP 32 H ASP 32 12.099 3.767 -4.799 244 HA ASP 32 HA ASP 32 10.231 3.507 -7.041 245 1HB ASP 32 1HB ASP 32 11.799 1.853 -5.416 246 2HB ASP 32 2HB ASP 32 10.145 1.440 -4.981 247 H CYS 33 H CYS 33 10.103 4.062 -3.570 248 HA CYS 33 HA CYS 33 7.130 3.953 -3.540 249 1HB CYS 33 1HB CYS 33 9.376 4.193 -1.536 250 2HB CYS 33 2HB CYS 33 7.733 4.617 -1.061 251 H HIS 34 H HIS 34 9.709 6.249 -2.547 252 HA HIS 34 HA HIS 34 7.865 8.545 -2.866 253 1HB HIS 34 1HB HIS 34 10.765 8.211 -2.016 254 2HB HIS 34 2HB HIS 34 9.943 9.760 -2.072 255 HD1 HIS 34 HD1 HIS 34 7.518 9.692 -0.622 256 HD2 HIS 34 HD2 HIS 34 10.544 7.038 0.462 257 HE1 HIS 34 HE1 HIS 34 7.029 8.974 1.759 258 H HIS 35 H HIS 35 8.338 7.126 -5.275 259 HA HIS 35 HA HIS 35 10.363 7.598 -6.995 260 1HB HIS 35 1HB HIS 35 8.524 8.091 -8.716 261 2HB HIS 35 2HB HIS 35 8.339 6.623 -7.773 262 HD1 HIS 35 HD1 HIS 35 7.097 10.125 -7.994 263 HD2 HIS 35 HD2 HIS 35 6.058 6.573 -6.106 264 HE1 HIS 35 HE1 HIS 35 4.827 10.519 -6.958 265 HA PRO 36 HA PRO 36 11.380 11.806 -7.367 266 1HB PRO 36 1HB PRO 36 11.838 12.048 -10.060 267 2HB PRO 36 2HB PRO 36 12.948 11.220 -8.950 268 1HG PRO 36 1HG PRO 36 10.875 10.063 -10.760 269 2HG PRO 36 2HG PRO 36 12.531 9.512 -10.448 270 1HD PRO 36 1HD PRO 36 10.404 8.332 -9.297 271 2HD PRO 36 2HD PRO 36 11.961 8.495 -8.450 272 H VAL 37 H VAL 37 9.516 12.964 -6.860 273 HA VAL 37 HA VAL 37 7.549 13.495 -9.048 274 HB VAL 37 HB VAL 37 7.550 13.635 -6.034 275 1HG1 VAL 37 1HG1 VAL 37 5.282 14.655 -6.192 276 2HG1 VAL 37 2HG1 VAL 37 5.518 14.854 -7.929 277 3HG1 VAL 37 3HG1 VAL 37 6.542 15.734 -6.793 278 1HG2 VAL 37 1HG2 VAL 37 6.678 11.582 -6.484 279 2HG2 VAL 37 2HG2 VAL 37 6.333 11.996 -8.164 280 3HG2 VAL 37 3HG2 VAL 37 5.213 12.476 -6.890 281 H ASN 38 H ASN 38 6.945 15.762 -9.403 282 HA ASN 38 HA ASN 38 7.572 18.021 -9.804 283 1HB ASN 38 1HB ASN 38 6.985 17.680 -7.314 284 2HB ASN 38 2HB ASN 38 8.706 17.767 -7.026 285 1HD2 ASN 38 2HD2 ASN 38 9.813 19.788 -8.073 286 2HD2 ASN 38 1HD2 ASN 38 8.944 21.243 -7.997 287 H GLY 39 H GLY 39 9.732 15.752 -10.123 288 1HA GLY 39 1HA GLY 39 11.886 16.029 -11.150 289 2HA GLY 39 2HA GLY 39 11.994 17.636 -10.425 290 H LYS 40 H LYS 40 10.847 16.000 -7.922 291 HA LYS 40 HA LYS 40 13.456 14.775 -7.100 292 1HB LYS 40 1HB LYS 40 13.385 16.116 -5.030 293 2HB LYS 40 2HB LYS 40 13.402 17.168 -6.445 294 1HG LYS 40 1HG LYS 40 10.907 17.312 -6.309 295 2HG LYS 40 2HG LYS 40 10.974 16.386 -4.809 296 1HD LYS 40 1HD LYS 40 12.720 18.800 -5.025 297 2HD LYS 40 2HD LYS 40 10.991 19.056 -4.793 298 1HE LYS 40 1HE LYS 40 12.289 17.008 -3.048 299 2HE LYS 40 2HE LYS 40 12.637 18.714 -2.702 300 1HZ LYS 40 1HZ LYS 40 10.009 17.365 -2.827 301 2HZ LYS 40 2HZ LYS 40 10.143 19.048 -3.016 302 3HZ LYS 40 3HZ LYS 40 10.650 18.309 -1.573 303 H GLU 41 H GLU 41 13.186 13.035 -5.656 304 HA GLU 41 HA GLU 41 10.608 11.781 -5.475 305 1HB GLU 41 1HB GLU 41 13.266 11.418 -4.081 306 2HB GLU 41 2HB GLU 41 11.889 10.373 -3.741 307 1HG GLU 41 1HG GLU 41 11.923 9.410 -5.850 308 2HG GLU 41 2HG GLU 41 12.660 10.826 -6.600 309 H ASP 42 H ASP 42 8.969 12.710 -4.278 310 HA ASP 42 HA ASP 42 9.420 14.433 -2.010 311 1HB ASP 42 1HB ASP 42 7.039 12.860 -3.015 312 2HB ASP 42 2HB ASP 42 6.952 14.030 -1.699 313 H TYR 43 H TYR 43 10.654 13.406 -0.437 314 HA TYR 43 HA TYR 43 10.087 10.682 0.458 315 1HB TYR 43 1HB TYR 43 11.857 12.922 1.494 316 2HB TYR 43 2HB TYR 43 11.894 11.267 2.101 317 HD1 TYR 43 HD1 TYR 43 13.001 13.524 -0.496 318 HD2 TYR 43 HD2 TYR 43 12.432 9.377 0.475 319 HE1 TYR 43 HE1 TYR 43 14.523 12.881 -2.345 320 HE2 TYR 43 HE2 TYR 43 13.953 8.736 -1.374 321 HH TYR 43 HH TYR 43 15.485 9.512 -2.845 322 H GLN 44 H GLN 44 7.694 11.883 0.766 323 HA GLN 44 HA GLN 44 7.523 12.453 3.710 324 1HB GLN 44 1HB GLN 44 5.592 13.979 2.979 325 2HB GLN 44 2HB GLN 44 7.216 14.528 2.562 326 1HG GLN 44 1HG GLN 44 6.933 13.482 0.304 327 2HG GLN 44 2HG GLN 44 5.264 13.103 0.732 328 1HE2 GLN 44 2HE2 GLN 44 5.333 15.793 2.361 329 2HE2 GLN 44 1HE2 GLN 44 5.040 16.962 1.166 330 H LYS 45 H LYS 45 5.200 12.076 4.504 331 HA LYS 45 HA LYS 45 4.361 9.456 4.265 332 1HB LYS 45 1HB LYS 45 3.057 12.063 4.894 333 2HB LYS 45 2HB LYS 45 2.018 10.651 4.725 334 1HG LYS 45 1HG LYS 45 2.744 9.744 6.669 335 2HG LYS 45 2HG LYS 45 4.427 10.142 6.323 336 1HD LYS 45 1HD LYS 45 3.942 11.490 8.187 337 2HD LYS 45 2HD LYS 45 3.713 12.593 6.829 338 1HE LYS 45 1HE LYS 45 1.499 12.828 7.282 339 2HE LYS 45 2HE LYS 45 1.281 11.076 7.464 340 1HZ LYS 45 1HZ LYS 45 2.685 12.737 9.479 341 2HZ LYS 45 2HZ LYS 45 2.132 11.139 9.647 342 3HZ LYS 45 3HZ LYS 45 1.021 12.422 9.562 343 H CYS 46 H CYS 46 3.509 8.259 2.645 344 HA CYS 46 HA CYS 46 3.215 8.907 -0.001 345 1HB CYS 46 1HB CYS 46 1.475 7.123 1.713 346 2HB CYS 46 2HB CYS 46 1.559 7.028 -0.040 347 H ALA 47 H ALA 47 0.718 9.352 2.490 348 HA ALA 47 HA ALA 47 -0.983 10.787 0.501 349 1HB ALA 47 1HB ALA 47 -2.346 9.272 1.537 350 2HB ALA 47 2HB ALA 47 -2.474 10.556 2.737 351 3HB ALA 47 3HB ALA 47 -1.351 9.221 2.991 352 H THR 48 H THR 48 0.995 12.441 1.019 353 HA THR 48 HA THR 48 1.116 13.973 3.364 354 HB THR 48 HB THR 48 1.213 15.301 0.681 355 HG1 THR 48 1HG THR 48 2.288 13.660 -0.052 356 1HG2 THR 48 1HG2 THR 48 2.101 15.939 3.204 357 2HG2 THR 48 2HG2 THR 48 2.726 16.636 1.710 358 3HG2 THR 48 3HG2 THR 48 3.552 15.270 2.459 359 H ALA 49 H ALA 49 0.394 16.588 2.772 360 HA ALA 49 HA ALA 49 -2.472 16.558 3.311 361 1HB ALA 49 1HB ALA 49 -0.561 18.839 2.702 362 2HB ALA 49 2HB ALA 49 -0.795 18.129 4.299 363 3HB ALA 49 3HB ALA 49 -2.123 18.978 3.509 364 H GLY 50 H GLY 50 -0.455 17.057 0.488 365 1HA GLY 50 1HA GLY 50 -2.935 17.440 -1.132 366 2HA GLY 50 2HA GLY 50 -1.518 18.449 -1.425 367 H CYS 51 H CYS 51 -1.729 14.992 -0.682 368 HA CYS 51 HA CYS 51 -0.504 14.407 -3.351 369 1HB CYS 51 1HB CYS 51 0.835 14.514 -1.003 370 2HB CYS 51 2HB CYS 51 0.346 12.843 -0.963 371 H HIS 52 H HIS 52 -0.472 11.615 -1.608 372 HA HIS 52 HA HIS 52 -2.837 10.544 -2.958 373 1HB HIS 52 1HB HIS 52 -0.815 9.478 -0.980 374 2HB HIS 52 2HB HIS 52 -2.109 8.488 -1.617 375 HD1 HIS 52 HD1 HIS 52 -2.172 8.980 -4.463 376 HD2 HIS 52 HD2 HIS 52 1.453 8.926 -2.438 377 HE1 HIS 52 HE1 HIS 52 -0.395 8.460 -6.204 378 H ASP 53 H ASP 53 -3.738 12.600 -1.328 379 HA ASP 53 HA ASP 53 -4.724 11.312 1.174 380 1HB ASP 53 1HB ASP 53 -5.219 13.653 1.804 381 2HB ASP 53 2HB ASP 53 -3.539 13.476 1.295 382 H ASN 54 H ASN 54 -5.873 10.862 -1.664 383 HA ASN 54 HA ASN 54 -8.478 12.209 -1.576 384 1HB ASN 54 1HB ASN 54 -6.896 10.991 -3.484 385 2HB ASN 54 2HB ASN 54 -8.159 9.792 -3.230 386 1HD2 ASN 54 2HD2 ASN 54 -9.773 10.101 -4.763 387 2HD2 ASN 54 1HD2 ASN 54 -10.370 11.610 -5.261 388 H MET 55 H MET 55 -9.685 11.586 0.219 389 HA MET 55 HA MET 55 -9.674 8.842 1.216 390 1HB MET 55 1HB MET 55 -11.055 11.442 1.828 391 2HB MET 55 2HB MET 55 -11.630 9.956 2.582 392 1HG MET 55 1HG MET 55 -10.030 10.352 4.141 393 2HG MET 55 2HG MET 55 -8.906 9.753 2.922 394 1HE MET 55 1HE MET 55 -7.090 11.004 4.216 395 2HE MET 55 2HE MET 55 -6.503 12.451 3.400 396 3HE MET 55 3HE MET 55 -6.842 10.997 2.465 397 H ASP 56 H ASP 56 -10.553 9.162 -1.586 398 HA ASP 56 HA ASP 56 -13.462 8.523 -1.421 399 1HB ASP 56 1HB ASP 56 -12.144 10.205 -3.035 400 2HB ASP 56 2HB ASP 56 -11.915 8.729 -3.976 401 H LYS 57 H LYS 57 -10.367 7.063 -1.712 402 HA LYS 57 HA LYS 57 -9.699 4.856 -2.234 403 1HB LYS 57 1HB LYS 57 -12.556 4.271 -1.444 404 2HB LYS 57 2HB LYS 57 -11.153 3.232 -1.219 405 1HG LYS 57 1HG LYS 57 -10.469 4.350 0.645 406 2HG LYS 57 2HG LYS 57 -10.943 5.921 0.002 407 1HD LYS 57 1HD LYS 57 -13.384 4.771 0.295 408 2HD LYS 57 2HD LYS 57 -12.514 3.990 1.614 409 1HE LYS 57 1HE LYS 57 -11.675 6.469 2.095 410 2HE LYS 57 2HE LYS 57 -13.170 6.891 1.239 411 1HZ LYS 57 1HZ LYS 57 -12.821 5.455 3.759 412 2HZ LYS 57 2HZ LYS 57 -14.072 4.927 2.738 413 3HZ LYS 57 3HZ LYS 57 -14.043 6.533 3.291 414 H LYS 58 H LYS 58 -11.259 6.533 -4.314 415 HA LYS 58 HA LYS 58 -11.915 4.229 -6.117 416 1HB LYS 58 1HB LYS 58 -13.387 6.870 -5.832 417 2HB LYS 58 2HB LYS 58 -13.829 5.552 -6.919 418 1HG LYS 58 1HG LYS 58 -13.527 4.462 -4.295 419 2HG LYS 58 2HG LYS 58 -14.557 5.888 -4.177 420 1HD LYS 58 1HD LYS 58 -15.056 3.958 -6.409 421 2HD LYS 58 2HD LYS 58 -15.590 3.520 -4.786 422 1HE LYS 58 1HE LYS 58 -16.237 6.266 -5.832 423 2HE LYS 58 2HE LYS 58 -17.222 4.882 -6.347 424 1HZ LYS 58 1HZ LYS 58 -17.779 4.357 -4.169 425 2HZ LYS 58 2HZ LYS 58 -17.855 6.054 -4.171 426 3HZ LYS 58 3HZ LYS 58 -16.506 5.262 -3.509 427 H ASP 59 H ASP 59 -10.482 7.395 -5.687 428 HA ASP 59 HA ASP 59 -10.218 8.239 -8.388 429 1HB ASP 59 1HB ASP 59 -9.698 9.721 -6.590 430 2HB ASP 59 2HB ASP 59 -8.560 8.576 -5.880 431 H LYS 60 H LYS 60 -9.466 6.806 -9.937 432 HA LYS 60 HA LYS 60 -7.297 4.908 -9.334 433 1HB LYS 60 1HB LYS 60 -9.397 5.345 -11.303 434 2HB LYS 60 2HB LYS 60 -7.866 4.943 -12.082 435 1HG LYS 60 1HG LYS 60 -8.954 3.357 -9.749 436 2HG LYS 60 2HG LYS 60 -9.341 2.959 -11.425 437 1HD LYS 60 1HD LYS 60 -6.492 3.275 -10.464 438 2HD LYS 60 2HD LYS 60 -7.338 1.728 -10.407 439 1HE LYS 60 1HE LYS 60 -7.878 2.237 -12.935 440 2HE LYS 60 2HE LYS 60 -6.476 3.319 -12.810 441 1HZ LYS 60 1HZ LYS 60 -6.262 0.693 -13.248 442 2HZ LYS 60 2HZ LYS 60 -6.180 0.721 -11.551 443 3HZ LYS 60 3HZ LYS 60 -5.066 1.613 -12.473 444 H SER 61 H SER 61 -7.041 8.049 -9.595 445 HA SER 61 HA SER 61 -5.073 8.250 -11.797 446 1HB SER 61 1HB SER 61 -6.943 9.927 -10.755 447 2HB SER 61 2HB SER 61 -5.518 10.463 -9.868 448 HG SER 61 HG SER 61 -5.138 11.529 -11.647 449 H ALA 62 H ALA 62 -3.369 10.171 -10.527 450 HA ALA 62 HA ALA 62 -1.746 8.340 -8.826 451 1HB ALA 62 1HB ALA 62 -1.299 10.264 -10.919 452 2HB ALA 62 2HB ALA 62 -0.134 9.167 -10.179 453 3HB ALA 62 3HB ALA 62 -0.406 10.765 -9.484 454 H LYS 63 H LYS 63 -4.140 10.169 -7.994 455 HA LYS 63 HA LYS 63 -2.673 11.644 -5.828 456 1HB LYS 63 1HB LYS 63 -4.251 12.634 -7.860 457 2HB LYS 63 2HB LYS 63 -5.404 12.491 -6.532 458 1HG LYS 63 1HG LYS 63 -4.414 14.149 -5.327 459 2HG LYS 63 2HG LYS 63 -2.787 13.629 -5.770 460 1HD LYS 63 1HD LYS 63 -3.235 14.573 -8.086 461 2HD LYS 63 2HD LYS 63 -4.700 15.296 -7.421 462 1HE LYS 63 1HE LYS 63 -2.132 15.752 -5.945 463 2HE LYS 63 2HE LYS 63 -2.416 16.666 -7.440 464 1HZ LYS 63 1HZ LYS 63 -3.433 17.904 -5.724 465 2HZ LYS 63 2HZ LYS 63 -4.150 16.525 -5.038 466 3HZ LYS 63 3HZ LYS 63 -4.701 17.119 -6.531 467 H GLY 64 H GLY 64 -4.862 9.130 -6.520 468 1HA GLY 64 1HA GLY 64 -6.560 9.379 -4.203 469 2HA GLY 64 2HA GLY 64 -6.377 7.934 -5.188 470 H TYR 65 H TYR 65 -6.479 7.945 -2.350 471 HA TYR 65 HA TYR 65 -3.689 7.494 -1.449 472 1HB TYR 65 1HB TYR 65 -5.335 8.756 -0.076 473 2HB TYR 65 2HB TYR 65 -6.361 7.323 -0.023 474 HD1 TYR 65 HD1 TYR 65 -6.283 6.532 2.180 475 HD2 TYR 65 HD2 TYR 65 -2.641 7.625 0.194 476 HE1 TYR 65 HE1 TYR 65 -4.975 5.617 4.079 477 HE2 TYR 65 HE2 TYR 65 -1.326 6.716 2.090 478 HH TYR 65 HH TYR 65 -1.967 4.757 3.989 479 H TYR 66 H TYR 66 -6.698 5.695 -2.028 480 HA TYR 66 HA TYR 66 -5.546 3.181 -1.042 481 1HB TYR 66 1HB TYR 66 -7.817 3.389 -0.598 482 2HB TYR 66 2HB TYR 66 -8.131 4.255 -2.096 483 HD1 TYR 66 HD1 TYR 66 -8.510 1.177 -0.439 484 HD2 TYR 66 HD2 TYR 66 -7.654 2.855 -4.295 485 HE1 TYR 66 HE1 TYR 66 -9.236 -0.937 -1.515 486 HE2 TYR 66 HE2 TYR 66 -8.383 0.739 -5.380 487 HH TYR 66 HH TYR 66 -9.201 -1.297 -5.067 488 H HIS 67 H HIS 67 -6.102 4.797 -4.129 489 HA HIS 67 HA HIS 67 -5.813 2.581 -5.903 490 1HB HIS 67 1HB HIS 67 -6.579 4.661 -6.748 491 2HB HIS 67 2HB HIS 67 -5.232 5.542 -6.026 492 HD1 HIS 67 HD1 HIS 67 -5.870 2.936 -8.721 493 HD2 HIS 67 HD2 HIS 67 -3.046 5.835 -7.724 494 HE1 HIS 67 HE1 HIS 67 -4.175 2.956 -10.596 495 H ALA 68 H ALA 68 -3.286 5.047 -5.395 496 HA ALA 68 HA ALA 68 -1.103 3.680 -6.411 497 1HB ALA 68 1HB ALA 68 -1.650 5.841 -4.524 498 2HB ALA 68 2HB ALA 68 -0.397 5.731 -5.761 499 3HB ALA 68 3HB ALA 68 -0.128 5.022 -4.168 500 H MET 69 H MET 69 -2.783 2.944 -3.418 501 HA MET 69 HA MET 69 -0.536 1.330 -2.390 502 1HB MET 69 1HB MET 69 -3.342 1.890 -1.416 503 2HB MET 69 2HB MET 69 -2.112 1.029 -0.494 504 1HG MET 69 1HG MET 69 -1.125 3.555 -1.570 505 2HG MET 69 2HG MET 69 -2.501 3.775 -0.494 506 1HE MET 69 1HE MET 69 0.386 4.907 0.006 507 2HE MET 69 2HE MET 69 1.108 3.543 -0.843 508 3HE MET 69 3HE MET 69 1.538 3.854 0.837 509 H HIS 70 H HIS 70 -3.874 0.726 -3.555 510 HA HIS 70 HA HIS 70 -3.347 -2.183 -3.377 511 1HB HIS 70 1HB HIS 70 -5.815 -0.638 -4.223 512 2HB HIS 70 2HB HIS 70 -5.749 -2.341 -3.768 513 HD1 HIS 70 HD1 HIS 70 -5.969 1.066 -2.361 514 HD2 HIS 70 HD2 HIS 70 -5.167 -2.767 -0.940 515 HE1 HIS 70 HE1 HIS 70 -6.166 1.184 0.159 516 H ASP 71 H ASP 71 -3.398 0.351 -5.750 517 HA ASP 71 HA ASP 71 -3.932 -1.395 -8.036 518 1HB ASP 71 1HB ASP 71 -3.053 1.456 -7.585 519 2HB ASP 71 2HB ASP 71 -3.185 0.778 -9.201 520 H LYS 72 H LYS 72 -2.406 -2.745 -8.874 521 HA LYS 72 HA LYS 72 0.433 -2.435 -8.172 522 1HB LYS 72 1HB LYS 72 0.548 -4.564 -9.579 523 2HB LYS 72 2HB LYS 72 -0.505 -4.644 -8.167 524 1HG LYS 72 1HG LYS 72 -2.288 -5.073 -9.469 525 2HG LYS 72 2HG LYS 72 -1.987 -3.619 -10.418 526 1HD LYS 72 1HD LYS 72 -0.126 -5.008 -11.571 527 2HD LYS 72 2HD LYS 72 -0.947 -6.408 -10.881 528 1HE LYS 72 1HE LYS 72 -2.489 -4.332 -12.447 529 2HE LYS 72 2HE LYS 72 -1.673 -5.682 -13.261 530 1HZ LYS 72 1HZ LYS 72 -3.604 -6.725 -12.735 531 2HZ LYS 72 2HZ LYS 72 -3.923 -5.726 -11.398 532 3HZ LYS 72 3HZ LYS 72 -2.793 -6.988 -11.269 533 H GLY 73 H GLY 73 -1.623 -2.033 -11.028 534 1HA GLY 73 1HA GLY 73 0.654 -1.526 -12.800 535 2HA GLY 73 2HA GLY 73 -1.050 -1.336 -13.223 536 H THR 74 H THR 74 1.194 0.126 -10.854 537 HA THR 74 HA THR 74 -0.017 2.788 -11.484 538 HB THR 74 HB THR 74 1.131 3.271 -9.213 539 HG1 THR 74 1HG THR 74 2.348 1.200 -9.524 540 1HG2 THR 74 1HG2 THR 74 -0.689 1.869 -8.010 541 2HG2 THR 74 2HG2 THR 74 -1.174 1.376 -9.634 542 3HG2 THR 74 3HG2 THR 74 -1.220 3.079 -9.178 543 H LYS 75 H LYS 75 1.502 4.642 -11.458 544 HA LYS 75 HA LYS 75 3.594 4.664 -13.229 545 1HB LYS 75 1HB LYS 75 2.523 6.527 -11.793 546 2HB LYS 75 2HB LYS 75 3.716 6.102 -10.570 547 1HG LYS 75 1HG LYS 75 4.361 7.993 -12.164 548 2HG LYS 75 2HG LYS 75 5.530 6.689 -11.986 549 1HD LYS 75 1HD LYS 75 4.820 5.672 -14.059 550 2HD LYS 75 2HD LYS 75 3.472 6.802 -14.203 551 1HE LYS 75 1HE LYS 75 5.111 8.687 -14.343 552 2HE LYS 75 2HE LYS 75 6.427 7.496 -14.332 553 1HZ LYS 75 1HZ LYS 75 5.765 6.603 -16.334 554 2HZ LYS 75 2HZ LYS 75 5.424 8.248 -16.588 555 3HZ LYS 75 3HZ LYS 75 4.172 7.169 -16.195 556 H PHE 76 H PHE 76 3.870 3.919 -9.753 557 HA PHE 76 HA PHE 76 6.530 2.631 -10.307 558 1HB PHE 76 1HB PHE 76 5.575 4.108 -7.839 559 2HB PHE 76 2HB PHE 76 7.186 3.450 -8.098 560 HD1 PHE 76 HD1 PHE 76 8.524 4.340 -10.126 561 HD2 PHE 76 HD2 PHE 76 4.990 6.238 -8.593 562 HE1 PHE 76 HE1 PHE 76 9.135 6.436 -11.303 563 HE2 PHE 76 HE2 PHE 76 5.601 8.331 -9.767 564 HZ PHE 76 HZ PHE 76 7.668 8.424 -11.119 565 H LYS 77 H LYS 77 7.047 1.126 -8.247 566 HA LYS 77 HA LYS 77 4.916 -0.840 -8.152 567 1HB LYS 77 1HB LYS 77 6.463 -1.976 -6.605 568 2HB LYS 77 2HB LYS 77 7.293 -1.438 -8.062 569 1HG LYS 77 1HG LYS 77 7.973 0.640 -6.785 570 2HG LYS 77 2HG LYS 77 7.337 -0.132 -5.333 571 1HD LYS 77 1HD LYS 77 9.804 -0.488 -5.635 572 2HD LYS 77 2HD LYS 77 8.884 -1.990 -5.580 573 1HE LYS 77 1HE LYS 77 9.305 -0.747 -8.268 574 2HE LYS 77 2HE LYS 77 10.680 -1.574 -7.509 575 1HZ LYS 77 1HZ LYS 77 8.571 -2.785 -8.781 576 2HZ LYS 77 2HZ LYS 77 8.243 -3.003 -7.129 577 3HZ LYS 77 3HZ LYS 77 9.714 -3.544 -7.785 578 H SER 78 H SER 78 3.168 -0.470 -7.013 579 HA SER 78 HA SER 78 2.993 1.429 -4.815 580 1HB SER 78 1HB SER 78 0.619 0.217 -4.841 581 2HB SER 78 2HB SER 78 1.083 1.341 -6.115 582 HG SER 78 HG SER 78 0.261 -0.810 -6.761 583 H CYS 79 H CYS 79 1.610 0.557 -2.833 584 HA CYS 79 HA CYS 79 3.236 -1.168 -1.262 585 1HB CYS 79 1HB CYS 79 0.304 -0.412 -1.067 586 2HB CYS 79 2HB CYS 79 1.260 -1.078 0.254 587 H VAL 80 H VAL 80 -0.097 -1.880 -2.344 588 HA VAL 80 HA VAL 80 0.182 -4.738 -2.020 589 HB VAL 80 HB VAL 80 -1.735 -2.881 -3.432 590 1HG1 VAL 80 1HG1 VAL 80 -1.378 -5.719 -3.857 591 2HG1 VAL 80 2HG1 VAL 80 -2.495 -4.608 -4.653 592 3HG1 VAL 80 3HG1 VAL 80 -2.960 -5.396 -3.144 593 1HG2 VAL 80 1HG2 VAL 80 -2.543 -4.732 -1.243 594 2HG2 VAL 80 2HG2 VAL 80 -3.012 -3.056 -1.522 595 3HG2 VAL 80 3HG2 VAL 80 -1.450 -3.423 -0.791 596 H GLY 81 H GLY 81 0.781 -2.482 -4.652 597 1HA GLY 81 1HA GLY 81 0.917 -4.416 -6.782 598 2HA GLY 81 2HA GLY 81 1.636 -2.805 -6.817 599 H CYS 82 H CYS 82 3.328 -3.042 -4.562 600 HA CYS 82 HA CYS 82 5.540 -4.584 -5.724 601 1HB CYS 82 1HB CYS 82 5.506 -2.295 -4.439 602 2HB CYS 82 2HB CYS 82 5.470 -3.300 -2.994 603 H HIS 83 H HIS 83 3.094 -4.956 -3.314 604 HA HIS 83 HA HIS 83 4.363 -7.059 -1.774 605 1HB HIS 83 1HB HIS 83 1.709 -5.713 -2.044 606 2HB HIS 83 2HB HIS 83 1.755 -7.246 -1.194 607 HD1 HIS 83 HD1 HIS 83 1.292 -5.945 1.077 608 HD2 HIS 83 HD2 HIS 83 4.878 -4.953 -0.805 609 HE1 HIS 83 HE1 HIS 83 2.687 -4.725 2.797 610 H LEU 84 H LEU 84 1.650 -7.102 -4.156 611 HA LEU 84 HA LEU 84 1.359 -9.897 -4.368 612 1HB LEU 84 1HB LEU 84 0.454 -7.516 -5.569 613 2HB LEU 84 2HB LEU 84 1.094 -8.488 -6.889 614 HG LEU 84 HG LEU 84 -0.680 -9.746 -4.824 615 1HD1 LEU 84 1HD1 LEU 84 -1.897 -8.706 -7.341 616 2HD1 LEU 84 2HD1 LEU 84 -1.594 -7.545 -6.048 617 3HD1 LEU 84 3HD1 LEU 84 -2.629 -8.943 -5.754 618 1HD2 LEU 84 1HD2 LEU 84 -0.688 -11.496 -6.274 619 2HD2 LEU 84 2HD2 LEU 84 0.695 -10.699 -7.024 620 3HD2 LEU 84 3HD2 LEU 84 -0.927 -10.445 -7.670 621 H GLU 85 H GLU 85 3.753 -7.714 -5.764 622 HA GLU 85 HA GLU 85 4.890 -9.774 -7.534 623 1HB GLU 85 1HB GLU 85 5.855 -7.009 -6.727 624 2HB GLU 85 2HB GLU 85 6.429 -7.945 -8.107 625 1HG GLU 85 1HG GLU 85 3.492 -7.426 -7.881 626 2HG GLU 85 2HG GLU 85 4.534 -6.101 -8.401 627 H THR 86 H THR 86 5.958 -7.951 -4.634 628 HA THR 86 HA THR 86 8.445 -9.250 -4.238 629 HB THR 86 HB THR 86 6.396 -7.885 -2.504 630 HG1 THR 86 1HG THR 86 7.691 -6.537 -3.639 631 1HG2 THR 86 1HG2 THR 86 7.850 -8.096 -0.561 632 2HG2 THR 86 2HG2 THR 86 9.010 -9.040 -1.496 633 3HG2 THR 86 3HG2 THR 86 7.419 -9.708 -1.136 634 H ALA 87 H ALA 87 5.228 -10.447 -3.899 635 HA ALA 87 HA ALA 87 5.987 -12.641 -2.069 636 1HB ALA 87 1HB ALA 87 3.468 -13.185 -2.752 637 2HB ALA 87 2HB ALA 87 3.508 -11.518 -3.326 638 3HB ALA 87 3HB ALA 87 3.833 -11.874 -1.630 639 H GLY 88 H GLY 88 5.191 -12.112 -5.471 640 1HA GLY 88 1HA GLY 88 5.443 -13.496 -7.346 641 2HA GLY 88 2HA GLY 88 6.693 -14.326 -6.418 642 H ALA 89 H ALA 89 6.257 -16.467 -6.373 643 HA ALA 89 HA ALA 89 3.427 -17.392 -6.389 644 1HB ALA 89 1HB ALA 89 5.452 -18.140 -7.895 645 2HB ALA 89 2HB ALA 89 4.315 -19.352 -7.303 646 3HB ALA 89 3HB ALA 89 5.870 -19.132 -6.500 647 H ASP 90 H ASP 90 4.206 -16.257 -3.942 648 HA ASP 90 HA ASP 90 4.574 -18.655 -2.194 649 1HB ASP 90 1HB ASP 90 6.442 -17.095 -2.125 650 2HB ASP 90 2HB ASP 90 5.349 -15.744 -1.840 651 H ALA 91 H ALA 91 2.220 -18.873 -2.396 652 HA ALA 91 HA ALA 91 0.148 -17.164 -1.889 653 1HB ALA 91 1HB ALA 91 0.737 -19.942 -0.861 654 2HB ALA 91 2HB ALA 91 -0.291 -19.472 -2.216 655 3HB ALA 91 3HB ALA 91 -0.818 -19.168 -0.560 656 H ALA 92 H ALA 92 2.608 -18.107 0.427 657 HA ALA 92 HA ALA 92 1.206 -17.096 2.781 658 1HB ALA 92 1HB ALA 92 4.082 -17.160 3.017 659 2HB ALA 92 2HB ALA 92 3.544 -18.582 2.121 660 3HB ALA 92 3HB ALA 92 2.904 -18.261 3.733 661 H LYS 93 H LYS 93 3.676 -15.939 0.537 662 HA LYS 93 HA LYS 93 4.066 -13.370 1.821 663 1HB LYS 93 1HB LYS 93 4.804 -14.825 -0.665 664 2HB LYS 93 2HB LYS 93 4.926 -13.072 -0.725 665 1HG LYS 93 1HG LYS 93 6.009 -14.070 1.762 666 2HG LYS 93 2HG LYS 93 6.786 -14.868 0.395 667 1HD LYS 93 1HD LYS 93 6.602 -12.181 -0.373 668 2HD LYS 93 2HD LYS 93 7.079 -12.127 1.325 669 1HE LYS 93 1HE LYS 93 9.149 -12.296 0.173 670 2HE LYS 93 2HE LYS 93 8.811 -13.973 0.645 671 1HZ LYS 93 1HZ LYS 93 9.108 -14.260 -1.585 672 2HZ LYS 93 2HZ LYS 93 8.570 -12.698 -1.982 673 3HZ LYS 93 3HZ LYS 93 7.447 -13.910 -1.584 674 H LYS 94 H LYS 94 1.834 -14.719 -0.518 675 HA LYS 94 HA LYS 94 0.883 -12.156 -1.549 676 1HB LYS 94 1HB LYS 94 0.559 -14.977 -2.006 677 2HB LYS 94 2HB LYS 94 -1.037 -14.243 -1.847 678 1HG LYS 94 1HG LYS 94 -0.836 -13.108 -3.799 679 2HG LYS 94 2HG LYS 94 0.832 -12.646 -3.459 680 1HD LYS 94 1HD LYS 94 1.590 -14.258 -4.830 681 2HD LYS 94 2HD LYS 94 0.721 -15.484 -3.904 682 1HE LYS 94 1HE LYS 94 -1.362 -14.900 -5.190 683 2HE LYS 94 2HE LYS 94 -0.374 -13.830 -6.204 684 1HZ LYS 94 1HZ LYS 94 -0.094 -16.757 -5.833 685 2HZ LYS 94 2HZ LYS 94 1.149 -15.802 -6.488 686 3HZ LYS 94 3HZ LYS 94 -0.350 -15.911 -7.280 687 H LYS 95 H LYS 95 0.170 -14.200 1.189 688 HA LYS 95 HA LYS 95 -2.387 -12.836 1.785 689 1HB LYS 95 1HB LYS 95 -2.647 -14.577 3.338 690 2HB LYS 95 2HB LYS 95 -1.645 -15.342 2.107 691 1HG LYS 95 1HG LYS 95 -0.255 -15.849 3.825 692 2HG LYS 95 2HG LYS 95 0.244 -14.161 3.719 693 1HD LYS 95 1HD LYS 95 -0.332 -14.433 5.993 694 2HD LYS 95 2HD LYS 95 -1.758 -13.675 5.284 695 1HE LYS 95 1HE LYS 95 -2.956 -15.417 6.114 696 2HE LYS 95 2HE LYS 95 -2.146 -16.440 4.911 697 1HZ LYS 95 1HZ LYS 95 -1.760 -17.216 7.201 698 2HZ LYS 95 2HZ LYS 95 -1.020 -15.732 7.569 699 3HZ LYS 95 3HZ LYS 95 -0.320 -16.772 6.422 700 H GLU 96 H GLU 96 0.972 -12.562 2.520 701 HA GLU 96 HA GLU 96 0.513 -10.956 4.976 702 1HB GLU 96 1HB GLU 96 2.917 -11.191 5.197 703 2HB GLU 96 2HB GLU 96 2.276 -12.751 4.715 704 1HG GLU 96 1HG GLU 96 2.900 -12.333 2.413 705 2HG GLU 96 2HG GLU 96 3.449 -10.709 2.829 706 H LEU 97 H LEU 97 1.955 -10.678 1.759 707 HA LEU 97 HA LEU 97 2.473 -7.813 1.983 708 1HB LEU 97 1HB LEU 97 2.418 -9.691 -0.390 709 2HB LEU 97 2HB LEU 97 3.222 -8.122 -0.322 710 HG LEU 97 HG LEU 97 3.936 -10.654 1.149 711 1HD1 LEU 97 1HD1 LEU 97 5.317 -8.711 -0.692 712 2HD1 LEU 97 2HD1 LEU 97 5.073 -10.444 -0.912 713 3HD1 LEU 97 3HD1 LEU 97 6.224 -9.860 0.292 714 1HD2 LEU 97 1HD2 LEU 97 4.892 -7.839 1.769 715 2HD2 LEU 97 2HD2 LEU 97 5.507 -9.319 2.504 716 3HD2 LEU 97 3HD2 LEU 97 3.847 -8.808 2.807 717 H THR 98 H THR 98 0.421 -9.602 -0.338 718 HA THR 98 HA THR 98 -1.207 -7.176 -0.746 719 HB THR 98 HB THR 98 -2.263 -8.648 -2.474 720 HG1 THR 98 1HG THR 98 -2.011 -10.703 -2.253 721 1HG2 THR 98 1HG2 THR 98 0.599 -9.140 -2.944 722 2HG2 THR 98 2HG2 THR 98 0.229 -7.485 -2.462 723 3HG2 THR 98 3HG2 THR 98 -0.547 -8.181 -3.883 724 H GLY 99 H GLY 99 -1.279 -9.751 1.427 725 1HA GLY 99 1HA GLY 99 -4.010 -10.475 1.522 726 2HA GLY 99 2HA GLY 99 -2.942 -10.462 2.925 727 H CYS 100 H CYS 100 -5.760 -9.209 1.854 728 HA CYS 100 HA CYS 100 -5.469 -6.453 2.788 729 1HB CYS 100 1HB CYS 100 -8.142 -7.648 2.590 730 2HB CYS 100 2HB CYS 100 -7.532 -6.186 1.869 731 H LYS 101 H LYS 101 -7.566 -9.118 3.900 732 HA LYS 101 HA LYS 101 -7.617 -7.825 6.580 733 1HB LYS 101 1HB LYS 101 -9.395 -9.415 4.881 734 2HB LYS 101 2HB LYS 101 -9.404 -9.938 6.565 735 1HG LYS 101 1HG LYS 101 -10.721 -8.188 7.077 736 2HG LYS 101 2HG LYS 101 -9.425 -7.097 6.584 737 1HD LYS 101 1HD LYS 101 -11.573 -6.708 5.346 738 2HD LYS 101 2HD LYS 101 -10.217 -7.105 4.289 739 1HE LYS 101 1HE LYS 101 -11.477 -9.556 5.127 740 2HE LYS 101 2HE LYS 101 -12.706 -8.463 4.459 741 1HZ LYS 101 1HZ LYS 101 -11.378 -9.848 2.804 742 2HZ LYS 101 2HZ LYS 101 -10.073 -8.818 3.160 743 3HZ LYS 101 3HZ LYS 101 -11.503 -8.185 2.494 744 H GLY 102 H GLY 102 -5.450 -9.772 5.395 745 1HA GLY 102 1HA GLY 102 -5.101 -11.241 7.912 746 2HA GLY 102 2HA GLY 102 -5.383 -12.270 6.508 747 H SER 103 H SER 103 -3.577 -9.214 6.493 748 HA SER 103 HA SER 103 -1.136 -10.789 5.783 749 1HB SER 103 1HB SER 103 -0.903 -9.408 3.984 750 2HB SER 103 2HB SER 103 -2.627 -9.200 4.199 751 HG SER 103 HG SER 103 -1.471 -7.203 4.075 752 H LYS 104 H LYS 104 0.379 -8.299 5.618 753 HA LYS 104 HA LYS 104 0.915 -7.875 8.524 754 1HB LYS 104 1HB LYS 104 2.426 -7.346 5.947 755 2HB LYS 104 2HB LYS 104 3.062 -7.002 7.555 756 1HG LYS 104 1HG LYS 104 2.012 -9.737 7.241 757 2HG LYS 104 2HG LYS 104 3.412 -9.382 6.230 758 1HD LYS 104 1HD LYS 104 4.783 -8.896 8.078 759 2HD LYS 104 2HD LYS 104 3.404 -8.629 9.146 760 1HE LYS 104 1HE LYS 104 3.823 -11.347 7.912 761 2HE LYS 104 2HE LYS 104 4.723 -10.880 9.369 762 1HZ LYS 104 1HZ LYS 104 2.852 -10.750 10.607 763 2HZ LYS 104 2HZ LYS 104 2.259 -11.861 9.465 764 3HZ LYS 104 3HZ LYS 104 1.891 -10.208 9.318 765 H CYS 105 H CYS 105 -0.088 -6.386 5.576 766 HA CYS 105 HA CYS 105 0.310 -3.625 6.395 767 1HB CYS 105 1HB CYS 105 -0.039 -5.092 4.083 768 2HB CYS 105 2HB CYS 105 -1.581 -4.292 4.257 769 H HIS 106 H HIS 106 -2.274 -5.990 6.662 770 HA HIS 106 HA HIS 106 -4.041 -3.858 7.825 771 1HB HIS 106 1HB HIS 106 -4.474 -6.118 5.925 772 2HB HIS 106 2HB HIS 106 -5.789 -5.735 7.038 773 HD1 HIS 106 HD1 HIS 106 -5.144 -2.612 7.094 774 HD2 HIS 106 HD2 HIS 106 -5.760 -4.918 3.655 775 HE1 HIS 106 HE1 HIS 106 -5.740 -0.992 5.248 776 H SER 107 H SER 107 -2.357 -4.947 9.627 777 HA SER 107 HA SER 107 -2.863 -7.439 10.803 778 1HB SER 107 1HB SER 107 -1.182 -5.569 11.365 779 2HB SER 107 2HB SER 107 -2.467 -4.867 12.345 780 HG SER 107 HG SER 107 -1.545 -6.186 13.757 781 HHA HEC 201 HHA HEC 201 6.017 8.689 5.699 782 HHB HEC 201 HHB HEC 201 12.108 9.759 4.765 783 HHC HEC 201 HHC HEC 201 12.525 4.658 1.091 784 HHD HEC 201 HHD HEC 201 6.391 3.627 1.796 785 1HMA HEC 201 1HMA HEC 201 10.323 11.919 6.462 786 2HMA HEC 201 2HMA HEC 201 11.375 10.582 6.926 787 3HMA HEC 201 3HMA HEC 201 9.879 10.877 7.815 788 1HAA HEC 201 1HAA HEC 201 6.644 9.740 7.375 789 2HAA HEC 201 2HAA HEC 201 7.924 10.867 7.817 790 1HBA HEC 201 1HBA HEC 201 6.661 11.437 5.222 791 2HBA HEC 201 2HBA HEC 201 5.573 11.585 6.601 792 1HMB HEC 201 1HMB HEC 201 14.997 9.050 2.910 793 2HMB HEC 201 2HMB HEC 201 14.055 9.568 4.308 794 3HMB HEC 201 3HMB HEC 201 15.079 8.136 4.416 795 HAB HEC 201 HAB HEC 201 14.361 5.391 1.217 796 1HBB HEC 201 1HBB HEC 201 15.639 6.476 3.702 797 2HBB HEC 201 2HBB HEC 201 16.679 5.984 2.366 798 3HBB HEC 201 3HBB HEC 201 15.583 4.817 3.107 799 1HMC HEC 201 1HMC HEC 201 10.675 1.624 -0.275 800 2HMC HEC 201 2HMC HEC 201 11.548 3.078 -0.761 801 3HMC HEC 201 3HMC HEC 201 12.007 2.225 0.713 802 HAC HEC 201 HAC HEC 201 7.026 2.221 0.650 803 1HBC HEC 201 1HBC HEC 201 9.187 0.467 -0.382 804 2HBC HEC 201 2HBC HEC 201 7.692 0.041 0.450 805 3HBC HEC 201 3HBC HEC 201 9.078 0.622 1.370 806 1HMD HEC 201 1HMD HEC 201 3.254 4.633 4.094 807 2HMD HEC 201 2HMD HEC 201 3.850 4.228 2.486 808 3HMD HEC 201 3HMD HEC 201 4.451 3.353 3.897 809 1HAD HEC 201 1HAD HEC 201 4.292 7.916 5.708 810 2HAD HEC 201 2HAD HEC 201 3.167 7.190 4.569 811 1HBD HEC 201 1HBD HEC 201 3.067 5.153 5.848 812 2HBD HEC 201 2HBD HEC 201 4.402 5.671 6.878 813 HHA HEC 202 HHA HEC 202 1.524 7.753 -9.511 814 HHB HEC 202 HHB HEC 202 2.763 4.131 -4.898 815 HHC HEC 202 HHC HEC 202 4.475 8.929 -1.218 816 HHD HEC 202 HHD HEC 202 2.899 12.924 -5.764 817 1HMA HEC 202 1HMA HEC 202 0.285 3.330 -7.405 818 2HMA HEC 202 2HMA HEC 202 1.107 3.251 -5.848 819 3HMA HEC 202 3HMA HEC 202 1.985 2.874 -7.329 820 1HAA HEC 202 1HAA HEC 202 0.979 5.433 -10.042 821 2HAA HEC 202 2HAA HEC 202 -0.090 4.524 -9.011 822 1HBA HEC 202 1HBA HEC 202 -1.375 6.540 -8.514 823 2HBA HEC 202 2HBA HEC 202 -0.278 7.495 -9.509 824 1HMB HEC 202 1HMB HEC 202 2.914 3.566 -2.064 825 2HMB HEC 202 2HMB HEC 202 4.155 3.310 -3.290 826 3HMB HEC 202 3HMB HEC 202 4.617 3.712 -1.635 827 HAB HEC 202 HAB HEC 202 4.212 7.008 0.072 828 1HBB HEC 202 1HBB HEC 202 6.550 6.119 -1.348 829 2HBB HEC 202 2HBB HEC 202 6.323 5.096 0.070 830 3HBB HEC 202 3HBB HEC 202 6.457 6.845 0.258 831 1HMC HEC 202 1HMC HEC 202 3.984 11.957 -0.495 832 2HMC HEC 202 2HMC HEC 202 5.418 10.984 -0.820 833 3HMC HEC 202 3HMC HEC 202 5.366 12.674 -1.322 834 HAC HEC 202 HAC HEC 202 2.380 13.813 -3.588 835 1HBC HEC 202 1HBC HEC 202 3.799 13.869 -1.416 836 2HBC HEC 202 2HBC HEC 202 3.543 15.390 -2.271 837 3HBC HEC 202 3HBC HEC 202 5.074 14.531 -2.440 838 1HMD HEC 202 1HMD HEC 202 2.387 12.987 -9.792 839 2HMD HEC 202 2HMD HEC 202 3.031 13.535 -8.242 840 3HMD HEC 202 3HMD HEC 202 1.286 13.428 -8.486 841 1HAD HEC 202 1HAD HEC 202 1.981 9.251 -10.751 842 2HAD HEC 202 2HAD HEC 202 1.252 10.839 -10.924 843 1HBD HEC 202 1HBD HEC 202 3.814 11.559 -10.446 844 2HBD HEC 202 2HBD HEC 202 4.075 10.002 -11.231 845 HHA HEC 203 HHA HEC 203 7.130 -6.914 4.690 846 HHB HEC 203 HHB HEC 203 2.739 -2.144 4.997 847 HHC HEC 203 HHC HEC 203 4.703 0.010 -0.361 848 HHD HEC 203 HHD HEC 203 8.993 -4.580 -0.837 849 1HMA HEC 203 1HMA HEC 203 3.404 -3.387 7.600 850 2HMA HEC 203 2HMA HEC 203 3.131 -5.130 7.636 851 3HMA HEC 203 3HMA HEC 203 2.162 -4.106 6.575 852 1HAA HEC 203 1HAA HEC 203 4.868 -6.179 7.793 853 2HAA HEC 203 2HAA HEC 203 4.672 -7.386 6.530 854 1HBA HEC 203 1HBA HEC 203 6.924 -7.763 6.352 855 2HBA HEC 203 2HBA HEC 203 7.337 -6.083 6.699 856 1HMB HEC 203 1HMB HEC 203 1.060 -0.115 3.793 857 2HMB HEC 203 2HMB HEC 203 2.214 -0.164 5.125 858 3HMB HEC 203 3HMB HEC 203 2.136 1.253 4.078 859 HAB HEC 203 HAB HEC 203 2.757 0.837 0.224 860 1HBB HEC 203 1HBB HEC 203 4.642 2.232 0.402 861 2HBB HEC 203 2HBB HEC 203 4.412 2.482 2.133 862 3HBB HEC 203 3HBB HEC 203 3.345 3.283 0.975 863 1HMC HEC 203 1HMC HEC 203 5.620 0.293 -2.099 864 2HMC HEC 203 2HMC HEC 203 7.276 0.159 -2.695 865 3HMC HEC 203 3HMC HEC 203 5.998 -0.823 -3.411 866 HAC HEC 203 HAC HEC 203 9.266 -3.355 -2.464 867 1HBC HEC 203 1HBC HEC 203 8.154 -1.058 -4.053 868 2HBC HEC 203 2HBC HEC 203 9.824 -1.609 -3.921 869 3HBC HEC 203 3HBC HEC 203 9.075 -0.730 -2.588 870 1HMD HEC 203 1HMD HEC 203 10.374 -6.035 -0.256 871 2HMD HEC 203 2HMD HEC 203 9.962 -7.703 0.142 872 3HMD HEC 203 3HMD HEC 203 11.018 -6.777 1.209 873 1HAD HEC 203 1HAD HEC 203 10.184 -7.809 3.305 874 2HAD HEC 203 2HAD HEC 203 8.694 -7.970 4.228 875 1HBD HEC 203 1HBD HEC 203 7.749 -9.240 2.223 876 2HBD HEC 203 2HBD HEC 203 9.401 -9.294 1.605 877 HHA HEC 204 HHA HEC 204 -6.865 2.110 3.975 878 HHB HEC 204 HHB HEC 204 -9.990 -2.254 0.779 879 HHC HEC 204 HHC HEC 204 -4.660 -5.897 0.942 880 HHD HEC 204 HHD HEC 204 -1.457 -0.985 2.794 881 1HMA HEC 204 1HMA HEC 204 -11.370 -0.875 1.305 882 2HMA HEC 204 2HMA HEC 204 -11.084 0.834 0.966 883 3HMA HEC 204 3HMA HEC 204 -11.701 0.337 2.543 884 1HAA HEC 204 1HAA HEC 204 -10.211 1.948 4.292 885 2HAA HEC 204 2HAA HEC 204 -8.659 2.712 3.956 886 1HBA HEC 204 1HBA HEC 204 -9.380 3.167 1.640 887 2HBA HEC 204 2HBA HEC 204 -10.923 2.387 1.968 888 1HMB HEC 204 1HMB HEC 204 -10.435 -3.977 -0.372 889 2HMB HEC 204 2HMB HEC 204 -9.994 -5.684 -0.419 890 3HMB HEC 204 3HMB HEC 204 -9.537 -4.617 -1.748 891 HAB HEC 204 HAB HEC 204 -6.296 -6.994 0.191 892 1HBB HEC 204 1HBB HEC 204 -6.708 -7.520 -2.311 893 2HBB HEC 204 2HBB HEC 204 -5.475 -6.326 -1.903 894 3HBB HEC 204 3HBB HEC 204 -7.063 -5.799 -2.463 895 1HMC HEC 204 1HMC HEC 204 -1.216 -5.700 0.387 896 2HMC HEC 204 2HMC HEC 204 -1.701 -6.327 1.963 897 3HMC HEC 204 3HMC HEC 204 -2.817 -6.407 0.599 898 HAC HEC 204 HAC HEC 204 -0.365 -2.474 3.022 899 1HBC HEC 204 1HBC HEC 204 0.254 -2.549 0.553 900 2HBC HEC 204 2HBC HEC 204 0.509 -4.283 0.747 901 3HBC HEC 204 3HBC HEC 204 1.505 -3.139 1.649 902 1HMD HEC 204 1HMD HEC 204 -1.192 1.098 4.511 903 2HMD HEC 204 2HMD HEC 204 -1.076 1.591 2.823 904 3HMD HEC 204 3HMD HEC 204 -1.715 2.711 4.027 905 1HAD HEC 204 1HAD HEC 204 -3.844 3.871 3.620 906 2HAD HEC 204 2HAD HEC 204 -5.461 3.456 4.175 907 1HBD HEC 204 1HBD HEC 204 -4.327 2.490 6.258 908 2HBD HEC 204 2HBD HEC 204 -2.881 3.339 5.722 Start of MODEL 15 1 1H ALA 1 1H ALA 1 20.216 15.184 3.602 2 2H ALA 1 2H ALA 1 19.869 15.388 1.951 3 3H ALA 1 3H ALA 1 21.387 14.801 2.436 4 HA ALA 1 HA ALA 1 19.578 13.148 1.572 5 1HB ALA 1 1HB ALA 1 20.748 12.040 3.977 6 2HB ALA 1 2HB ALA 1 21.888 13.141 3.203 7 3HB ALA 1 3HB ALA 1 21.224 11.780 2.300 8 HA PRO 2 HA PRO 2 16.045 13.217 4.228 9 1HB PRO 2 1HB PRO 2 14.860 10.928 3.316 10 2HB PRO 2 2HB PRO 2 14.838 12.450 2.414 11 1HG PRO 2 1HG PRO 2 16.542 10.047 2.028 12 2HG PRO 2 2HG PRO 2 15.830 11.130 0.822 13 1HD PRO 2 1HD PRO 2 18.454 11.223 1.589 14 2HD PRO 2 2HD PRO 2 17.558 12.619 0.950 15 H LYS 3 H LYS 3 15.814 12.463 6.312 16 HA LYS 3 HA LYS 3 17.363 10.045 7.099 17 1HB LYS 3 1HB LYS 3 15.936 12.172 8.708 18 2HB LYS 3 2HB LYS 3 16.997 10.924 9.356 19 1HG LYS 3 1HG LYS 3 18.336 12.309 7.211 20 2HG LYS 3 2HG LYS 3 17.751 13.478 8.394 21 1HD LYS 3 1HD LYS 3 19.660 12.951 9.519 22 2HD LYS 3 2HD LYS 3 18.749 11.530 10.033 23 1HE LYS 3 1HE LYS 3 20.260 10.217 8.978 24 2HE LYS 3 2HE LYS 3 19.816 10.976 7.436 25 1HZ LYS 3 1HZ LYS 3 21.382 12.664 7.727 26 2HZ LYS 3 2HZ LYS 3 22.211 11.266 8.221 27 3HZ LYS 3 3HZ LYS 3 21.582 12.337 9.379 28 H ALA 4 H ALA 4 15.856 8.518 6.230 29 HA ALA 4 HA ALA 4 13.133 8.250 6.440 30 1HB ALA 4 1HB ALA 4 13.555 6.012 6.058 31 2HB ALA 4 2HB ALA 4 14.747 5.914 7.355 32 3HB ALA 4 3HB ALA 4 15.190 6.626 5.803 33 HA PRO 5 HA PRO 5 12.344 8.419 10.766 34 1HB PRO 5 1HB PRO 5 9.690 7.740 10.664 35 2HB PRO 5 2HB PRO 5 10.316 9.341 10.238 36 1HG PRO 5 1HG PRO 5 9.316 7.195 8.489 37 2HG PRO 5 2HG PRO 5 9.416 8.933 8.209 38 1HD PRO 5 1HD PRO 5 11.161 6.957 7.197 39 2HD PRO 5 2HD PRO 5 11.364 8.716 7.097 40 H ALA 6 H ALA 6 11.720 6.988 12.532 41 HA ALA 6 HA ALA 6 12.767 4.378 12.378 42 1HB ALA 6 1HB ALA 6 10.633 5.332 14.298 43 2HB ALA 6 2HB ALA 6 12.298 5.909 14.378 44 3HB ALA 6 3HB ALA 6 11.945 4.197 14.616 45 H ASP 7 H ASP 7 11.764 2.356 12.259 46 HA ASP 7 HA ASP 7 9.574 2.008 10.479 47 1HB ASP 7 1HB ASP 7 10.486 0.067 12.611 48 2HB ASP 7 2HB ASP 7 9.878 -0.298 10.999 49 H GLY 8 H GLY 8 7.470 1.063 11.056 50 1HA GLY 8 1HA GLY 8 5.713 0.587 12.658 51 2HA GLY 8 2HA GLY 8 6.555 1.603 13.828 52 H LEU 9 H LEU 9 6.448 2.962 10.700 53 HA LEU 9 HA LEU 9 4.959 5.253 11.508 54 1HB LEU 9 1HB LEU 9 6.395 4.349 9.275 55 2HB LEU 9 2HB LEU 9 4.761 4.630 8.668 56 HG LEU 9 HG LEU 9 5.917 6.692 10.483 57 1HD1 LEU 9 1HD1 LEU 9 6.998 7.768 8.460 58 2HD1 LEU 9 2HD1 LEU 9 6.771 6.238 7.608 59 3HD1 LEU 9 3HD1 LEU 9 7.812 6.310 9.032 60 1HD2 LEU 9 1HD2 LEU 9 4.794 7.857 8.214 61 2HD2 LEU 9 2HD2 LEU 9 3.977 7.610 9.760 62 3HD2 LEU 9 3HD2 LEU 9 3.806 6.415 8.475 63 H LYS 10 H LYS 10 2.784 5.483 11.755 64 HA LYS 10 HA LYS 10 1.054 3.232 10.849 65 1HB LYS 10 1HB LYS 10 1.175 5.091 13.096 66 2HB LYS 10 2HB LYS 10 -0.444 4.963 12.407 67 1HG LYS 10 1HG LYS 10 0.148 2.364 12.422 68 2HG LYS 10 2HG LYS 10 1.214 2.866 13.735 69 1HD LYS 10 1HD LYS 10 -0.681 2.550 14.986 70 2HD LYS 10 2HD LYS 10 -1.022 4.197 14.453 71 1HE LYS 10 1HE LYS 10 -2.396 3.377 12.613 72 2HE LYS 10 2HE LYS 10 -1.966 1.699 12.999 73 1HZ LYS 10 1HZ LYS 10 -4.099 2.424 14.006 74 2HZ LYS 10 2HZ LYS 10 -3.243 3.574 14.917 75 3HZ LYS 10 3HZ LYS 10 -2.953 1.916 15.149 76 H MET 11 H MET 11 0.114 3.548 8.918 77 HA MET 11 HA MET 11 -0.491 6.264 7.908 78 1HB MET 11 1HB MET 11 -0.247 3.480 6.904 79 2HB MET 11 2HB MET 11 -1.461 4.466 6.088 80 1HG MET 11 1HG MET 11 0.371 6.267 5.920 81 2HG MET 11 2HG MET 11 1.499 4.978 6.342 82 1HE MET 11 1HE MET 11 2.176 3.249 5.241 83 2HE MET 11 2HE MET 11 1.989 2.838 3.538 84 3HE MET 11 3HE MET 11 0.781 2.302 4.704 85 H ASP 12 H ASP 12 -2.253 6.976 9.192 86 HA ASP 12 HA ASP 12 -4.645 5.171 9.287 87 1HB ASP 12 1HB ASP 12 -5.252 6.910 11.118 88 2HB ASP 12 2HB ASP 12 -3.964 5.762 11.453 89 H LYS 13 H LYS 13 -3.664 7.255 7.164 90 HA LYS 13 HA LYS 13 -5.347 9.481 7.004 91 1HB LYS 13 1HB LYS 13 -4.181 7.540 5.023 92 2HB LYS 13 2HB LYS 13 -5.152 8.901 4.467 93 1HG LYS 13 1HG LYS 13 -2.703 9.106 6.247 94 2HG LYS 13 2HG LYS 13 -2.736 9.464 4.519 95 1HD LYS 13 1HD LYS 13 -4.557 11.163 5.014 96 2HD LYS 13 2HD LYS 13 -4.210 10.918 6.726 97 1HE LYS 13 1HE LYS 13 -1.778 11.478 6.202 98 2HE LYS 13 2HE LYS 13 -2.340 12.004 4.603 99 1HZ LYS 13 1HZ LYS 13 -3.473 13.742 5.458 100 2HZ LYS 13 2HZ LYS 13 -2.347 13.604 6.724 101 3HZ LYS 13 3HZ LYS 13 -3.896 12.922 6.881 102 H THR 14 H THR 14 -6.116 6.090 6.471 103 HA THR 14 HA THR 14 -8.948 6.856 5.825 104 HB THR 14 HB THR 14 -8.939 4.490 4.832 105 HG1 THR 14 1HG THR 14 -7.176 3.554 5.624 106 1HG2 THR 14 1HG2 THR 14 -7.188 6.709 3.767 107 2HG2 THR 14 2HG2 THR 14 -8.868 6.364 3.351 108 3HG2 THR 14 3HG2 THR 14 -7.586 5.271 2.826 109 H LYS 15 H LYS 15 -10.485 4.950 6.498 110 HA LYS 15 HA LYS 15 -10.498 4.705 9.339 111 1HB LYS 15 1HB LYS 15 -11.955 3.648 6.983 112 2HB LYS 15 2HB LYS 15 -12.096 2.681 8.451 113 1HG LYS 15 1HG LYS 15 -13.649 4.139 9.179 114 2HG LYS 15 2HG LYS 15 -12.374 5.352 9.288 115 1HD LYS 15 1HD LYS 15 -12.920 5.355 6.595 116 2HD LYS 15 2HD LYS 15 -14.515 5.059 7.289 117 1HE LYS 15 1HE LYS 15 -13.689 7.028 8.947 118 2HE LYS 15 2HE LYS 15 -12.797 7.482 7.481 119 1HZ LYS 15 1HZ LYS 15 -15.095 6.832 6.392 120 2HZ LYS 15 2HZ LYS 15 -14.799 8.401 6.973 121 3HZ LYS 15 3HZ LYS 15 -15.684 7.296 7.913 122 H GLN 16 H GLN 16 -8.978 2.794 6.845 123 HA GLN 16 HA GLN 16 -8.330 0.627 8.795 124 1HB GLN 16 1HB GLN 16 -8.386 0.943 5.798 125 2HB GLN 16 2HB GLN 16 -7.456 -0.367 6.528 126 1HG GLN 16 1HG GLN 16 -9.845 -0.517 7.894 127 2HG GLN 16 2HG GLN 16 -10.367 -0.059 6.273 128 1HE2 GLN 16 2HE2 GLN 16 -7.560 -2.093 7.229 129 2HE2 GLN 16 1HE2 GLN 16 -8.077 -3.470 6.380 130 HA PRO 17 HA PRO 17 -4.572 3.307 8.674 131 1HB PRO 17 1HB PRO 17 -3.904 2.851 11.296 132 2HB PRO 17 2HB PRO 17 -5.025 4.129 10.782 133 1HG PRO 17 1HG PRO 17 -5.626 1.409 11.854 134 2HG PRO 17 2HG PRO 17 -6.393 2.962 12.230 135 1HD PRO 17 1HD PRO 17 -7.523 1.184 10.550 136 2HD PRO 17 2HD PRO 17 -7.686 2.941 10.318 137 H VAL 18 H VAL 18 -2.645 2.437 8.022 138 HA VAL 18 HA VAL 18 -2.009 -0.377 8.833 139 HB VAL 18 HB VAL 18 -1.720 1.189 6.265 140 1HG1 VAL 18 1HG1 VAL 18 -0.486 -1.507 6.885 141 2HG1 VAL 18 2HG1 VAL 18 0.417 0.008 6.826 142 3HG1 VAL 18 3HG1 VAL 18 -0.364 -0.611 5.370 143 1HG2 VAL 18 1HG2 VAL 18 -3.341 -1.059 7.287 144 2HG2 VAL 18 2HG2 VAL 18 -2.657 -1.323 5.684 145 3HG2 VAL 18 3HG2 VAL 18 -3.689 0.075 5.983 146 H VAL 19 H VAL 19 0.056 -0.709 9.644 147 HA VAL 19 HA VAL 19 1.723 1.679 10.147 148 HB VAL 19 HB VAL 19 1.873 -1.231 10.992 149 1HG1 VAL 19 1HG1 VAL 19 3.979 -0.736 11.639 150 2HG1 VAL 19 2HG1 VAL 19 3.271 0.373 12.813 151 3HG1 VAL 19 3HG1 VAL 19 3.769 0.967 11.228 152 1HG2 VAL 19 1HG2 VAL 19 1.295 0.973 12.902 153 2HG2 VAL 19 2HG2 VAL 19 0.632 -0.660 12.834 154 3HG2 VAL 19 3HG2 VAL 19 0.017 0.587 11.748 155 H PHE 20 H PHE 20 3.531 2.132 8.898 156 HA PHE 20 HA PHE 20 4.476 0.007 7.012 157 1HB PHE 20 1HB PHE 20 3.692 2.119 6.015 158 2HB PHE 20 2HB PHE 20 4.816 3.028 7.024 159 HD1 PHE 20 HD1 PHE 20 4.874 0.075 4.705 160 HD2 PHE 20 HD2 PHE 20 6.858 3.633 6.056 161 HE1 PHE 20 HE1 PHE 20 6.673 -0.291 3.041 162 HE2 PHE 20 HE2 PHE 20 8.651 3.267 4.391 163 HZ PHE 20 HZ PHE 20 8.563 1.305 2.881 164 H ASN 21 H ASN 21 6.364 -0.984 7.623 165 HA ASN 21 HA ASN 21 8.143 0.381 9.568 166 1HB ASN 21 1HB ASN 21 7.206 -2.278 8.981 167 2HB ASN 21 2HB ASN 21 8.961 -2.243 8.911 168 1HD2 ASN 21 2HD2 ASN 21 6.437 -0.749 11.023 169 2HD2 ASN 21 1HD2 ASN 21 7.220 -1.137 12.478 170 H HIS 22 H HIS 22 9.404 1.788 8.269 171 HA HIS 22 HA HIS 22 10.365 1.406 5.673 172 1HB HIS 22 1HB HIS 22 11.362 2.776 8.151 173 2HB HIS 22 2HB HIS 22 12.396 2.746 6.724 174 HD1 HIS 22 HD1 HIS 22 9.555 4.509 8.191 175 HD2 HIS 22 HD2 HIS 22 11.002 3.895 4.326 176 HE1 HIS 22 HE1 HIS 22 8.530 6.315 6.748 177 H SER 23 H SER 23 11.616 0.055 8.711 178 HA SER 23 HA SER 23 14.106 -0.951 7.920 179 1HB SER 23 1HB SER 23 13.566 -1.328 10.146 180 2HB SER 23 2HB SER 23 11.906 -1.783 9.771 181 HG SER 23 HG SER 23 14.262 -3.297 9.699 182 H THR 24 H THR 24 10.880 -2.373 7.375 183 HA THR 24 HA THR 24 11.886 -4.711 5.969 184 HB THR 24 HB THR 24 9.174 -3.988 5.307 185 HG1 THR 24 1HG THR 24 9.474 -4.082 8.067 186 1HG2 THR 24 1HG2 THR 24 10.696 -6.136 6.580 187 2HG2 THR 24 2HG2 THR 24 9.251 -6.228 5.571 188 3HG2 THR 24 3HG2 THR 24 9.103 -5.913 7.301 189 H HIS 25 H HIS 25 11.709 -1.453 5.142 190 HA HIS 25 HA HIS 25 11.577 -2.093 2.227 191 1HB HIS 25 1HB HIS 25 10.753 0.376 3.784 192 2HB HIS 25 2HB HIS 25 10.566 0.143 2.050 193 HD1 HIS 25 HD1 HIS 25 9.241 -1.052 5.351 194 HD2 HIS 25 HD2 HIS 25 8.503 -1.666 1.297 195 HE1 HIS 25 HE1 HIS 25 7.089 -2.377 5.209 196 H LYS 26 H LYS 26 13.552 -0.980 4.763 197 HA LYS 26 HA LYS 26 15.105 1.093 3.696 198 1HB LYS 26 1HB LYS 26 16.802 0.283 5.208 199 2HB LYS 26 2HB LYS 26 15.246 -0.100 5.946 200 1HG LYS 26 1HG LYS 26 15.378 -2.392 5.224 201 2HG LYS 26 2HG LYS 26 16.786 -2.052 4.219 202 1HD LYS 26 1HD LYS 26 16.926 -1.438 7.148 203 2HD LYS 26 2HD LYS 26 17.092 -3.113 6.622 204 1HE LYS 26 1HE LYS 26 19.246 -2.702 6.064 205 2HE LYS 26 2HE LYS 26 18.698 -1.487 4.892 206 1HZ LYS 26 1HZ LYS 26 18.822 0.196 6.431 207 2HZ LYS 26 2HZ LYS 26 20.140 -0.760 6.916 208 3HZ LYS 26 3HZ LYS 26 18.670 -0.846 7.762 209 H ALA 27 H ALA 27 14.889 -2.248 2.704 210 HA ALA 27 HA ALA 27 17.311 -2.089 1.007 211 1HB ALA 27 1HB ALA 27 15.294 -4.162 1.840 212 2HB ALA 27 2HB ALA 27 17.047 -4.183 2.033 213 3HB ALA 27 3HB ALA 27 16.331 -4.470 0.448 214 H VAL 28 H VAL 28 14.081 -1.176 0.781 215 HA VAL 28 HA VAL 28 13.633 -1.892 -2.029 216 HB VAL 28 HB VAL 28 12.235 -0.237 0.074 217 1HG1 VAL 28 1HG1 VAL 28 11.386 -0.687 -2.796 218 2HG1 VAL 28 2HG1 VAL 28 11.813 0.860 -2.065 219 3HG1 VAL 28 3HG1 VAL 28 10.365 0.007 -1.537 220 1HG2 VAL 28 1HG2 VAL 28 11.686 -2.863 -1.319 221 2HG2 VAL 28 2HG2 VAL 28 10.474 -2.030 -0.346 222 3HG2 VAL 28 3HG2 VAL 28 11.969 -2.595 0.401 223 H LYS 29 H LYS 29 12.924 0.139 -3.448 224 HA LYS 29 HA LYS 29 15.276 1.932 -3.446 225 1HB LYS 29 1HB LYS 29 13.439 0.797 -5.349 226 2HB LYS 29 2HB LYS 29 13.476 2.554 -5.516 227 1HG LYS 29 1HG LYS 29 15.303 2.077 -6.817 228 2HG LYS 29 2HG LYS 29 16.105 2.119 -5.245 229 1HD LYS 29 1HD LYS 29 14.887 -0.459 -6.175 230 2HD LYS 29 2HD LYS 29 16.437 0.043 -6.853 231 1HE LYS 29 1HE LYS 29 16.055 0.140 -3.869 232 2HE LYS 29 2HE LYS 29 16.417 -1.410 -4.654 233 1HZ LYS 29 1HZ LYS 29 17.960 1.112 -4.965 234 2HZ LYS 29 2HZ LYS 29 18.273 -0.332 -5.803 235 3HZ LYS 29 3HZ LYS 29 18.466 -0.266 -4.117 236 H CYS 30 H CYS 30 14.998 3.540 -2.005 237 HA CYS 30 HA CYS 30 12.701 4.751 -0.997 238 1HB CYS 30 1HB CYS 30 15.448 5.784 -1.710 239 2HB CYS 30 2HB CYS 30 14.255 6.850 -0.971 240 H GLY 31 H GLY 31 14.043 4.996 -4.204 241 1HA GLY 31 1HA GLY 31 12.380 7.320 -4.924 242 2HA GLY 31 2HA GLY 31 13.493 6.473 -5.998 243 H ASP 32 H ASP 32 12.067 3.901 -4.839 244 HA ASP 32 HA ASP 32 10.168 3.697 -7.060 245 1HB ASP 32 1HB ASP 32 11.744 2.004 -5.484 246 2HB ASP 32 2HB ASP 32 10.094 1.600 -5.028 247 H CYS 33 H CYS 33 10.080 4.215 -3.583 248 HA CYS 33 HA CYS 33 7.106 4.096 -3.526 249 1HB CYS 33 1HB CYS 33 9.386 4.221 -1.562 250 2HB CYS 33 2HB CYS 33 7.785 4.730 -1.032 251 H HIS 34 H HIS 34 9.730 6.359 -2.598 252 HA HIS 34 HA HIS 34 7.873 8.665 -2.718 253 1HB HIS 34 1HB HIS 34 10.791 8.246 -1.998 254 2HB HIS 34 2HB HIS 34 10.033 9.834 -2.009 255 HD1 HIS 34 HD1 HIS 34 7.638 9.828 -0.501 256 HD2 HIS 34 HD2 HIS 34 10.598 7.061 0.473 257 HE1 HIS 34 HE1 HIS 34 7.184 9.096 1.881 258 H HIS 35 H HIS 35 8.520 7.156 -5.178 259 HA HIS 35 HA HIS 35 10.413 7.897 -6.931 260 1HB HIS 35 1HB HIS 35 8.572 8.026 -8.642 261 2HB HIS 35 2HB HIS 35 8.439 6.652 -7.558 262 HD1 HIS 35 HD1 HIS 35 7.038 10.067 -8.113 263 HD2 HIS 35 HD2 HIS 35 6.131 6.634 -5.958 264 HE1 HIS 35 HE1 HIS 35 4.726 10.431 -7.157 265 HA PRO 36 HA PRO 36 10.748 12.222 -7.450 266 1HB PRO 36 1HB PRO 36 11.010 12.472 -10.171 267 2HB PRO 36 2HB PRO 36 12.300 11.849 -9.122 268 1HG PRO 36 1HG PRO 36 10.339 10.349 -10.798 269 2HG PRO 36 2HG PRO 36 12.073 10.063 -10.562 270 1HD PRO 36 1HD PRO 36 10.191 8.609 -9.290 271 2HD PRO 36 2HD PRO 36 11.759 8.992 -8.542 272 H VAL 37 H VAL 37 9.034 13.593 -7.188 273 HA VAL 37 HA VAL 37 6.629 13.234 -8.926 274 HB VAL 37 HB VAL 37 7.202 14.142 -6.130 275 1HG1 VAL 37 1HG1 VAL 37 5.999 16.068 -6.877 276 2HG1 VAL 37 2HG1 VAL 37 4.808 15.045 -6.074 277 3HG1 VAL 37 3HG1 VAL 37 4.888 15.089 -7.835 278 1HG2 VAL 37 1HG2 VAL 37 4.743 12.710 -7.072 279 2HG2 VAL 37 2HG2 VAL 37 5.638 12.520 -5.564 280 3HG2 VAL 37 3HG2 VAL 37 6.277 11.841 -7.061 281 H ASN 38 H ASN 38 9.250 14.789 -9.376 282 HA ASN 38 HA ASN 38 8.208 16.959 -10.908 283 1HB ASN 38 1HB ASN 38 7.724 17.581 -8.425 284 2HB ASN 38 2HB ASN 38 9.443 17.865 -8.304 285 1HD2 ASN 38 2HD2 ASN 38 7.130 19.850 -8.277 286 2HD2 ASN 38 1HD2 ASN 38 7.522 20.970 -9.491 287 H GLY 39 H GLY 39 10.870 17.372 -8.672 288 1HA GLY 39 1HA GLY 39 12.812 16.703 -10.830 289 2HA GLY 39 2HA GLY 39 13.002 18.166 -9.853 290 H LYS 40 H LYS 40 11.596 15.957 -7.858 291 HA LYS 40 HA LYS 40 13.998 14.418 -7.124 292 1HB LYS 40 1HB LYS 40 13.970 15.570 -4.819 293 2HB LYS 40 2HB LYS 40 14.628 16.507 -6.160 294 1HG LYS 40 1HG LYS 40 12.716 17.856 -6.326 295 2HG LYS 40 2HG LYS 40 11.702 16.687 -5.479 296 1HD LYS 40 1HD LYS 40 13.915 17.510 -3.800 297 2HD LYS 40 2HD LYS 40 13.005 18.915 -4.356 298 1HE LYS 40 1HE LYS 40 10.962 18.091 -3.432 299 2HE LYS 40 2HE LYS 40 11.644 16.470 -3.187 300 1HZ LYS 40 1HZ LYS 40 11.884 17.452 -1.112 301 2HZ LYS 40 2HZ LYS 40 12.274 18.976 -1.756 302 3HZ LYS 40 3HZ LYS 40 13.405 17.709 -1.815 303 H GLU 41 H GLU 41 13.376 12.598 -5.966 304 HA GLU 41 HA GLU 41 10.678 11.778 -5.763 305 1HB GLU 41 1HB GLU 41 13.301 11.023 -4.553 306 2HB GLU 41 2HB GLU 41 11.843 10.286 -3.895 307 1HG GLU 41 1HG GLU 41 11.450 9.063 -5.787 308 2HG GLU 41 2HG GLU 41 12.040 10.337 -6.854 309 H ASP 42 H ASP 42 9.121 12.797 -4.544 310 HA ASP 42 HA ASP 42 9.656 14.516 -2.327 311 1HB ASP 42 1HB ASP 42 7.257 12.999 -3.344 312 2HB ASP 42 2HB ASP 42 7.157 14.006 -1.901 313 H TYR 43 H TYR 43 10.786 13.665 -0.608 314 HA TYR 43 HA TYR 43 10.279 10.926 0.343 315 1HB TYR 43 1HB TYR 43 12.081 13.196 1.245 316 2HB TYR 43 2HB TYR 43 12.110 11.575 1.941 317 HD1 TYR 43 HD1 TYR 43 13.211 13.674 -0.783 318 HD2 TYR 43 HD2 TYR 43 12.586 9.593 0.406 319 HE1 TYR 43 HE1 TYR 43 14.693 12.912 -2.618 320 HE2 TYR 43 HE2 TYR 43 14.068 8.832 -1.431 321 HH TYR 43 HH TYR 43 15.430 9.452 -3.070 322 H GLN 44 H GLN 44 7.889 11.876 0.743 323 HA GLN 44 HA GLN 44 7.770 12.560 3.649 324 1HB GLN 44 1HB GLN 44 6.001 14.247 3.049 325 2HB GLN 44 2HB GLN 44 7.596 14.653 2.411 326 1HG GLN 44 1HG GLN 44 6.763 13.272 0.315 327 2HG GLN 44 2HG GLN 44 5.167 13.669 0.954 328 1HE2 GLN 44 2HE2 GLN 44 8.267 15.517 0.691 329 2HE2 GLN 44 1HE2 GLN 44 7.561 16.871 -0.047 330 H LYS 45 H LYS 45 5.403 12.327 4.408 331 HA LYS 45 HA LYS 45 4.443 9.763 4.217 332 1HB LYS 45 1HB LYS 45 2.145 10.955 4.594 333 2HB LYS 45 2HB LYS 45 3.425 11.172 5.786 334 1HG LYS 45 1HG LYS 45 4.025 13.317 4.850 335 2HG LYS 45 2HG LYS 45 2.945 13.075 3.477 336 1HD LYS 45 1HD LYS 45 1.886 14.553 5.122 337 2HD LYS 45 2HD LYS 45 1.011 13.024 5.038 338 1HE LYS 45 1HE LYS 45 1.809 12.300 7.119 339 2HE LYS 45 2HE LYS 45 3.227 13.366 7.053 340 1HZ LYS 45 1HZ LYS 45 0.390 14.155 7.420 341 2HZ LYS 45 2HZ LYS 45 1.619 15.265 7.041 342 3HZ LYS 45 3HZ LYS 45 1.675 14.395 8.500 343 H CYS 46 H CYS 46 3.360 8.544 2.732 344 HA CYS 46 HA CYS 46 3.251 9.133 -0.008 345 1HB CYS 46 1HB CYS 46 1.536 7.359 1.751 346 2HB CYS 46 2HB CYS 46 1.590 7.241 -0.006 347 H ALA 47 H ALA 47 0.774 9.642 2.480 348 HA ALA 47 HA ALA 47 -0.995 10.955 0.464 349 1HB ALA 47 1HB ALA 47 -1.734 9.066 1.978 350 2HB ALA 47 2HB ALA 47 -2.727 10.520 2.074 351 3HB ALA 47 3HB ALA 47 -1.539 10.177 3.330 352 H THR 48 H THR 48 1.145 12.571 1.081 353 HA THR 48 HA THR 48 1.081 14.230 3.318 354 HB THR 48 HB THR 48 1.458 15.454 0.621 355 HG1 THR 48 1HG THR 48 2.810 13.204 1.637 356 1HG2 THR 48 1HG2 THR 48 2.261 15.971 3.269 357 2HG2 THR 48 2HG2 THR 48 2.789 16.817 1.815 358 3HG2 THR 48 3HG2 THR 48 3.717 15.447 2.425 359 H ALA 49 H ALA 49 0.466 16.804 2.681 360 HA ALA 49 HA ALA 49 -2.427 16.875 2.913 361 1HB ALA 49 1HB ALA 49 -0.357 19.049 2.449 362 2HB ALA 49 2HB ALA 49 -0.870 18.442 4.024 363 3HB ALA 49 3HB ALA 49 -2.010 19.316 3.002 364 H GLY 50 H GLY 50 -0.381 16.632 0.232 365 1HA GLY 50 1HA GLY 50 -2.620 17.333 -1.584 366 2HA GLY 50 2HA GLY 50 -1.079 18.158 -1.847 367 H CYS 51 H CYS 51 -0.892 15.031 -0.527 368 HA CYS 51 HA CYS 51 0.210 13.964 -3.068 369 1HB CYS 51 1HB CYS 51 0.719 13.957 -0.191 370 2HB CYS 51 2HB CYS 51 0.852 12.369 -0.873 371 H HIS 52 H HIS 52 -0.186 11.258 -1.444 372 HA HIS 52 HA HIS 52 -2.682 10.521 -2.772 373 1HB HIS 52 1HB HIS 52 -0.744 9.133 -0.909 374 2HB HIS 52 2HB HIS 52 -2.126 8.324 -1.617 375 HD1 HIS 52 HD1 HIS 52 -2.190 8.704 -4.365 376 HD2 HIS 52 HD2 HIS 52 1.505 8.857 -2.478 377 HE1 HIS 52 HE1 HIS 52 -0.454 8.276 -6.168 378 H ASP 53 H ASP 53 -3.612 12.454 -1.233 379 HA ASP 53 HA ASP 53 -4.445 11.286 1.386 380 1HB ASP 53 1HB ASP 53 -3.317 13.432 1.469 381 2HB ASP 53 2HB ASP 53 -4.409 14.094 0.254 382 H ASN 54 H ASN 54 -5.714 10.772 -1.426 383 HA ASN 54 HA ASN 54 -8.345 12.053 -1.202 384 1HB ASN 54 1HB ASN 54 -6.857 10.995 -3.219 385 2HB ASN 54 2HB ASN 54 -7.935 9.641 -2.886 386 1HD2 ASN 54 2HD2 ASN 54 -9.663 9.748 -4.330 387 2HD2 ASN 54 1HD2 ASN 54 -10.492 11.168 -4.751 388 H MET 55 H MET 55 -9.481 11.391 0.616 389 HA MET 55 HA MET 55 -9.354 8.653 1.628 390 1HB MET 55 1HB MET 55 -10.757 11.227 2.273 391 2HB MET 55 2HB MET 55 -11.317 9.736 3.031 392 1HG MET 55 1HG MET 55 -9.712 10.312 4.575 393 2HG MET 55 2HG MET 55 -8.680 9.437 3.443 394 1HE MET 55 1HE MET 55 -6.531 11.959 4.818 395 2HE MET 55 2HE MET 55 -6.045 11.191 3.309 396 3HE MET 55 3HE MET 55 -6.974 10.278 4.495 397 H ASP 56 H ASP 56 -10.729 9.668 -1.114 398 HA ASP 56 HA ASP 56 -13.453 8.638 -0.809 399 1HB ASP 56 1HB ASP 56 -12.254 10.398 -2.458 400 2HB ASP 56 2HB ASP 56 -12.125 8.953 -3.463 401 H LYS 57 H LYS 57 -10.371 7.233 -1.244 402 HA LYS 57 HA LYS 57 -9.682 5.081 -1.974 403 1HB LYS 57 1HB LYS 57 -10.811 4.571 0.099 404 2HB LYS 57 2HB LYS 57 -12.391 4.671 -0.677 405 1HG LYS 57 1HG LYS 57 -10.594 2.776 -2.004 406 2HG LYS 57 2HG LYS 57 -10.922 2.349 -0.325 407 1HD LYS 57 1HD LYS 57 -13.373 3.216 -1.520 408 2HD LYS 57 2HD LYS 57 -12.634 2.017 -2.581 409 1HE LYS 57 1HE LYS 57 -12.470 0.415 -0.753 410 2HE LYS 57 2HE LYS 57 -13.049 1.629 0.406 411 1HZ LYS 57 1HZ LYS 57 -15.144 1.632 -0.491 412 2HZ LYS 57 2HZ LYS 57 -14.728 0.001 -0.725 413 3HZ LYS 57 3HZ LYS 57 -14.624 1.101 -2.016 414 H LYS 58 H LYS 58 -11.404 6.760 -3.872 415 HA LYS 58 HA LYS 58 -12.249 4.493 -5.642 416 1HB LYS 58 1HB LYS 58 -13.631 7.154 -5.156 417 2HB LYS 58 2HB LYS 58 -14.172 5.919 -6.293 418 1HG LYS 58 1HG LYS 58 -13.694 4.855 -3.607 419 2HG LYS 58 2HG LYS 58 -14.943 6.099 -3.639 420 1HD LYS 58 1HD LYS 58 -16.198 4.201 -4.129 421 2HD LYS 58 2HD LYS 58 -15.794 4.768 -5.750 422 1HE LYS 58 1HE LYS 58 -14.424 2.982 -6.166 423 2HE LYS 58 2HE LYS 58 -13.782 2.972 -4.511 424 1HZ LYS 58 1HZ LYS 58 -16.614 2.363 -4.823 425 2HZ LYS 58 2HZ LYS 58 -15.475 1.702 -3.751 426 3HZ LYS 58 3HZ LYS 58 -15.533 1.175 -5.365 427 H ASP 59 H ASP 59 -10.290 7.201 -5.234 428 HA ASP 59 HA ASP 59 -10.350 8.251 -7.954 429 1HB ASP 59 1HB ASP 59 -9.673 9.738 -6.245 430 2HB ASP 59 2HB ASP 59 -8.617 8.538 -5.501 431 H LYS 60 H LYS 60 -9.689 6.862 -9.579 432 HA LYS 60 HA LYS 60 -7.533 4.903 -9.103 433 1HB LYS 60 1HB LYS 60 -9.795 5.260 -10.821 434 2HB LYS 60 2HB LYS 60 -8.361 5.096 -11.836 435 1HG LYS 60 1HG LYS 60 -8.905 3.213 -9.538 436 2HG LYS 60 2HG LYS 60 -9.545 2.917 -11.155 437 1HD LYS 60 1HD LYS 60 -6.610 3.444 -10.648 438 2HD LYS 60 2HD LYS 60 -7.297 1.819 -10.627 439 1HE LYS 60 1HE LYS 60 -8.326 2.631 -12.967 440 2HE LYS 60 2HE LYS 60 -6.882 3.662 -12.940 441 1HZ LYS 60 1HZ LYS 60 -5.904 1.784 -13.700 442 2HZ LYS 60 2HZ LYS 60 -7.083 0.756 -13.035 443 3HZ LYS 60 3HZ LYS 60 -5.853 1.393 -12.050 444 H SER 61 H SER 61 -7.020 7.903 -9.131 445 HA SER 61 HA SER 61 -5.268 8.144 -11.534 446 1HB SER 61 1HB SER 61 -7.038 9.842 -10.223 447 2HB SER 61 2HB SER 61 -5.460 10.408 -9.683 448 HG SER 61 HG SER 61 -6.041 11.406 -11.631 449 H ALA 62 H ALA 62 -3.479 10.042 -10.347 450 HA ALA 62 HA ALA 62 -1.795 8.187 -8.731 451 1HB ALA 62 1HB ALA 62 -0.062 9.174 -9.843 452 2HB ALA 62 2HB ALA 62 -0.747 10.790 -9.665 453 3HB ALA 62 3HB ALA 62 -1.322 9.724 -10.947 454 H LYS 63 H LYS 63 -4.119 9.990 -7.737 455 HA LYS 63 HA LYS 63 -2.530 11.442 -5.638 456 1HB LYS 63 1HB LYS 63 -4.122 12.525 -7.594 457 2HB LYS 63 2HB LYS 63 -5.273 12.349 -6.266 458 1HG LYS 63 1HG LYS 63 -4.422 14.349 -5.580 459 2HG LYS 63 2HG LYS 63 -3.108 13.360 -4.943 460 1HD LYS 63 1HD LYS 63 -1.702 13.825 -6.771 461 2HD LYS 63 2HD LYS 63 -3.048 14.337 -7.791 462 1HE LYS 63 1HE LYS 63 -3.339 16.373 -6.500 463 2HE LYS 63 2HE LYS 63 -2.139 15.836 -5.309 464 1HZ LYS 63 1HZ LYS 63 -1.548 16.093 -8.204 465 2HZ LYS 63 2HZ LYS 63 -0.441 15.854 -6.938 466 3HZ LYS 63 3HZ LYS 63 -1.252 17.339 -7.092 467 H GLY 64 H GLY 64 -4.917 9.074 -6.317 468 1HA GLY 64 1HA GLY 64 -6.487 9.317 -3.933 469 2HA GLY 64 2HA GLY 64 -6.383 7.879 -4.939 470 H TYR 65 H TYR 65 -6.400 7.902 -2.090 471 HA TYR 65 HA TYR 65 -3.615 7.303 -1.270 472 1HB TYR 65 1HB TYR 65 -5.209 8.663 0.104 473 2HB TYR 65 2HB TYR 65 -6.234 7.233 0.254 474 HD1 TYR 65 HD1 TYR 65 -6.041 6.287 2.368 475 HD2 TYR 65 HD2 TYR 65 -2.524 7.789 0.420 476 HE1 TYR 65 HE1 TYR 65 -4.651 5.465 4.248 477 HE2 TYR 65 HE2 TYR 65 -1.131 6.970 2.301 478 HH TYR 65 HH TYR 65 -1.500 6.444 4.767 479 H TYR 66 H TYR 66 -6.517 5.676 -2.257 480 HA TYR 66 HA TYR 66 -5.618 3.090 -1.102 481 1HB TYR 66 1HB TYR 66 -7.894 3.399 -0.746 482 2HB TYR 66 2HB TYR 66 -8.107 4.297 -2.247 483 HD1 TYR 66 HD1 TYR 66 -8.483 1.133 -0.645 484 HD2 TYR 66 HD2 TYR 66 -7.786 2.981 -4.455 485 HE1 TYR 66 HE1 TYR 66 -9.239 -0.937 -1.783 486 HE2 TYR 66 HE2 TYR 66 -8.544 0.912 -5.600 487 HH TYR 66 HH TYR 66 -10.286 -1.186 -4.635 488 H HIS 67 H HIS 67 -6.189 4.681 -4.230 489 HA HIS 67 HA HIS 67 -5.838 2.459 -5.964 490 1HB HIS 67 1HB HIS 67 -6.623 4.490 -6.873 491 2HB HIS 67 2HB HIS 67 -5.332 5.426 -6.117 492 HD1 HIS 67 HD1 HIS 67 -5.889 2.910 -8.892 493 HD2 HIS 67 HD2 HIS 67 -3.000 5.647 -7.654 494 HE1 HIS 67 HE1 HIS 67 -4.107 2.931 -10.688 495 H ALA 68 H ALA 68 -3.338 4.957 -5.483 496 HA ALA 68 HA ALA 68 -1.140 3.626 -6.500 497 1HB ALA 68 1HB ALA 68 -0.264 4.966 -4.166 498 2HB ALA 68 2HB ALA 68 -1.721 5.808 -4.695 499 3HB ALA 68 3HB ALA 68 -0.360 5.626 -5.800 500 H MET 69 H MET 69 -2.827 2.820 -3.542 501 HA MET 69 HA MET 69 -0.554 1.220 -2.529 502 1HB MET 69 1HB MET 69 -3.344 1.808 -1.523 503 2HB MET 69 2HB MET 69 -2.128 0.906 -0.620 504 1HG MET 69 1HG MET 69 -1.008 3.371 -1.635 505 2HG MET 69 2HG MET 69 -2.448 3.698 -0.677 506 1HE MET 69 1HE MET 69 0.500 4.256 -0.700 507 2HE MET 69 2HE MET 69 1.551 3.426 0.446 508 3HE MET 69 3HE MET 69 0.497 4.721 1.007 509 H HIS 70 H HIS 70 -3.917 0.624 -3.635 510 HA HIS 70 HA HIS 70 -3.400 -2.284 -3.483 511 1HB HIS 70 1HB HIS 70 -5.857 -0.723 -4.326 512 2HB HIS 70 2HB HIS 70 -5.804 -2.424 -3.860 513 HD1 HIS 70 HD1 HIS 70 -6.037 0.986 -2.482 514 HD2 HIS 70 HD2 HIS 70 -5.190 -2.824 -1.024 515 HE1 HIS 70 HE1 HIS 70 -6.225 1.129 0.037 516 H ASP 71 H ASP 71 -3.449 0.259 -5.853 517 HA ASP 71 HA ASP 71 -4.011 -1.461 -8.144 518 1HB ASP 71 1HB ASP 71 -3.062 1.365 -7.675 519 2HB ASP 71 2HB ASP 71 -3.211 0.702 -9.296 520 H LYS 72 H LYS 72 -2.525 -2.605 -9.326 521 HA LYS 72 HA LYS 72 0.299 -2.594 -8.463 522 1HB LYS 72 1HB LYS 72 -1.299 -4.230 -10.456 523 2HB LYS 72 2HB LYS 72 0.372 -4.565 -10.001 524 1HG LYS 72 1HG LYS 72 -0.818 -4.363 -7.544 525 2HG LYS 72 2HG LYS 72 -2.120 -5.068 -8.504 526 1HD LYS 72 1HD LYS 72 0.706 -6.152 -8.515 527 2HD LYS 72 2HD LYS 72 -0.550 -6.750 -7.431 528 1HE LYS 72 1HE LYS 72 -1.586 -7.911 -9.100 529 2HE LYS 72 2HE LYS 72 -1.388 -6.582 -10.260 530 1HZ LYS 72 1HZ LYS 72 0.051 -8.812 -10.375 531 2HZ LYS 72 2HZ LYS 72 1.050 -7.889 -9.358 532 3HZ LYS 72 3HZ LYS 72 0.637 -7.310 -10.900 533 H GLY 73 H GLY 73 -1.446 -2.293 -11.570 534 1HA GLY 73 1HA GLY 73 0.873 -1.449 -13.049 535 2HA GLY 73 2HA GLY 73 -0.799 -1.259 -13.582 536 H THR 74 H THR 74 1.223 0.096 -10.956 537 HA THR 74 HA THR 74 -0.007 2.764 -11.490 538 HB THR 74 HB THR 74 1.185 3.125 -9.186 539 HG1 THR 74 1HG THR 74 2.432 1.272 -9.230 540 1HG2 THR 74 1HG2 THR 74 -1.187 1.310 -9.654 541 2HG2 THR 74 2HG2 THR 74 -1.201 3.032 -9.273 542 3HG2 THR 74 3HG2 THR 74 -0.719 1.861 -8.045 543 H LYS 75 H LYS 75 1.415 4.637 -11.566 544 HA LYS 75 HA LYS 75 3.582 4.686 -13.241 545 1HB LYS 75 1HB LYS 75 2.312 6.486 -11.714 546 2HB LYS 75 2HB LYS 75 3.753 6.296 -10.718 547 1HG LYS 75 1HG LYS 75 3.982 8.133 -12.387 548 2HG LYS 75 2HG LYS 75 5.185 6.864 -12.611 549 1HD LYS 75 1HD LYS 75 2.847 6.154 -14.103 550 2HD LYS 75 2HD LYS 75 3.274 7.817 -14.500 551 1HE LYS 75 1HE LYS 75 5.298 7.217 -15.445 552 2HE LYS 75 2HE LYS 75 5.496 5.814 -14.376 553 1HZ LYS 75 1HZ LYS 75 3.427 4.925 -15.538 554 2HZ LYS 75 2HZ LYS 75 4.881 4.890 -16.417 555 3HZ LYS 75 3HZ LYS 75 3.725 6.095 -16.729 556 H PHE 76 H PHE 76 3.652 3.839 -9.789 557 HA PHE 76 HA PHE 76 6.440 2.789 -10.170 558 1HB PHE 76 1HB PHE 76 5.278 4.183 -7.741 559 2HB PHE 76 2HB PHE 76 6.933 3.622 -7.927 560 HD1 PHE 76 HD1 PHE 76 8.321 4.617 -9.864 561 HD2 PHE 76 HD2 PHE 76 4.609 6.289 -8.497 562 HE1 PHE 76 HE1 PHE 76 8.879 6.766 -10.969 563 HE2 PHE 76 HE2 PHE 76 5.167 8.436 -9.600 564 HZ PHE 76 HZ PHE 76 7.297 8.669 -10.832 565 H LYS 77 H LYS 77 6.943 1.230 -8.197 566 HA LYS 77 HA LYS 77 4.860 -0.789 -8.168 567 1HB LYS 77 1HB LYS 77 6.432 -1.936 -6.658 568 2HB LYS 77 2HB LYS 77 7.251 -1.330 -8.094 569 1HG LYS 77 1HG LYS 77 7.848 0.734 -6.729 570 2HG LYS 77 2HG LYS 77 7.271 -0.144 -5.313 571 1HD LYS 77 1HD LYS 77 9.752 -0.360 -5.686 572 2HD LYS 77 2HD LYS 77 8.900 -1.904 -5.664 573 1HE LYS 77 1HE LYS 77 9.185 -0.556 -8.317 574 2HE LYS 77 2HE LYS 77 10.628 -1.322 -7.622 575 1HZ LYS 77 1HZ LYS 77 8.215 -2.858 -7.291 576 2HZ LYS 77 2HZ LYS 77 9.750 -3.352 -7.827 577 3HZ LYS 77 3HZ LYS 77 8.652 -2.646 -8.915 578 H SER 78 H SER 78 3.103 -0.495 -7.024 579 HA SER 78 HA SER 78 2.869 1.329 -4.771 580 1HB SER 78 1HB SER 78 0.519 0.154 -4.840 581 2HB SER 78 2HB SER 78 1.007 1.191 -6.178 582 HG SER 78 HG SER 78 0.179 -0.962 -6.732 583 H CYS 79 H CYS 79 1.595 0.434 -2.780 584 HA CYS 79 HA CYS 79 3.223 -1.353 -1.291 585 1HB CYS 79 1HB CYS 79 0.277 -0.712 -0.962 586 2HB CYS 79 2HB CYS 79 1.386 -1.212 0.313 587 H VAL 80 H VAL 80 -0.129 -2.002 -2.358 588 HA VAL 80 HA VAL 80 0.108 -4.868 -2.089 589 HB VAL 80 HB VAL 80 -1.780 -2.958 -3.469 590 1HG1 VAL 80 1HG1 VAL 80 -2.542 -4.659 -4.728 591 2HG1 VAL 80 2HG1 VAL 80 -3.064 -5.437 -3.232 592 3HG1 VAL 80 3HG1 VAL 80 -1.481 -5.809 -3.914 593 1HG2 VAL 80 1HG2 VAL 80 -2.430 -4.854 -1.221 594 2HG2 VAL 80 2HG2 VAL 80 -3.175 -3.305 -1.611 595 3HG2 VAL 80 3HG2 VAL 80 -1.573 -3.352 -0.875 596 H GLY 81 H GLY 81 0.767 -2.576 -4.670 597 1HA GLY 81 1HA GLY 81 0.892 -4.509 -6.819 598 2HA GLY 81 2HA GLY 81 1.577 -2.883 -6.859 599 H CYS 82 H CYS 82 3.285 -3.076 -4.615 600 HA CYS 82 HA CYS 82 5.524 -4.576 -5.780 601 1HB CYS 82 1HB CYS 82 5.410 -2.287 -4.465 602 2HB CYS 82 2HB CYS 82 5.467 -3.321 -3.042 603 H HIS 83 H HIS 83 3.086 -4.994 -3.375 604 HA HIS 83 HA HIS 83 4.383 -7.073 -1.825 605 1HB HIS 83 1HB HIS 83 1.701 -5.782 -2.124 606 2HB HIS 83 2HB HIS 83 1.779 -7.305 -1.257 607 HD1 HIS 83 HD1 HIS 83 1.244 -5.934 0.972 608 HD2 HIS 83 HD2 HIS 83 4.871 -4.996 -0.857 609 HE1 HIS 83 HE1 HIS 83 2.605 -4.673 2.691 610 H LEU 84 H LEU 84 1.658 -7.176 -4.191 611 HA LEU 84 HA LEU 84 1.438 -9.970 -4.430 612 1HB LEU 84 1HB LEU 84 0.486 -7.598 -5.617 613 2HB LEU 84 2HB LEU 84 1.143 -8.552 -6.941 614 HG LEU 84 HG LEU 84 -0.594 -9.871 -4.886 615 1HD1 LEU 84 1HD1 LEU 84 -1.738 -8.606 -7.373 616 2HD1 LEU 84 2HD1 LEU 84 -1.662 -7.715 -5.853 617 3HD1 LEU 84 3HD1 LEU 84 -2.594 -9.210 -5.955 618 1HD2 LEU 84 1HD2 LEU 84 0.555 -10.464 -7.513 619 2HD2 LEU 84 2HD2 LEU 84 -1.173 -10.805 -7.442 620 3HD2 LEU 84 3HD2 LEU 84 -0.076 -11.570 -6.294 621 H GLU 85 H GLU 85 3.812 -7.736 -5.757 622 HA GLU 85 HA GLU 85 4.968 -9.671 -7.632 623 1HB GLU 85 1HB GLU 85 5.422 -6.872 -6.691 624 2HB GLU 85 2HB GLU 85 6.795 -7.705 -7.420 625 1HG GLU 85 1HG GLU 85 5.311 -8.284 -9.373 626 2HG GLU 85 2HG GLU 85 4.073 -7.243 -8.668 627 H THR 86 H THR 86 5.939 -8.222 -4.502 628 HA THR 86 HA THR 86 8.361 -9.758 -4.223 629 HB THR 86 HB THR 86 6.552 -8.095 -2.494 630 HG1 THR 86 1HG THR 86 8.834 -7.228 -2.181 631 1HG2 THR 86 1HG2 THR 86 7.279 -10.098 -1.133 632 2HG2 THR 86 2HG2 THR 86 7.843 -8.548 -0.511 633 3HG2 THR 86 3HG2 THR 86 8.947 -9.594 -1.405 634 H ALA 87 H ALA 87 5.126 -10.701 -4.150 635 HA ALA 87 HA ALA 87 5.826 -13.197 -2.644 636 1HB ALA 87 1HB ALA 87 3.641 -13.067 -1.573 637 2HB ALA 87 2HB ALA 87 3.211 -11.656 -2.539 638 3HB ALA 87 3HB ALA 87 4.478 -11.537 -1.318 639 H GLY 88 H GLY 88 5.557 -12.405 -5.597 640 1HA GLY 88 1HA GLY 88 3.144 -13.647 -6.586 641 2HA GLY 88 2HA GLY 88 4.569 -13.261 -7.551 642 H ALA 89 H ALA 89 5.779 -14.994 -5.058 643 HA ALA 89 HA ALA 89 5.262 -17.636 -6.377 644 1HB ALA 89 1HB ALA 89 7.591 -18.032 -6.500 645 2HB ALA 89 2HB ALA 89 7.954 -16.760 -5.333 646 3HB ALA 89 3HB ALA 89 7.436 -16.337 -6.965 647 H ASP 90 H ASP 90 4.926 -15.936 -3.585 648 HA ASP 90 HA ASP 90 5.357 -18.365 -1.899 649 1HB ASP 90 1HB ASP 90 7.090 -16.683 -1.556 650 2HB ASP 90 2HB ASP 90 5.874 -15.440 -1.303 651 H ALA 91 H ALA 91 3.063 -18.744 -2.331 652 HA ALA 91 HA ALA 91 0.834 -17.187 -2.038 653 1HB ALA 91 1HB ALA 91 1.539 -19.954 -1.099 654 2HB ALA 91 2HB ALA 91 0.494 -19.470 -2.433 655 3HB ALA 91 3HB ALA 91 -0.069 -19.311 -0.769 656 H ALA 92 H ALA 92 3.079 -18.008 0.529 657 HA ALA 92 HA ALA 92 1.337 -17.142 2.711 658 1HB ALA 92 1HB ALA 92 4.107 -17.078 3.396 659 2HB ALA 92 2HB ALA 92 3.870 -18.438 2.299 660 3HB ALA 92 3HB ALA 92 2.933 -18.334 3.789 661 H LYS 93 H LYS 93 4.045 -15.795 0.865 662 HA LYS 93 HA LYS 93 4.141 -13.274 2.272 663 1HB LYS 93 1HB LYS 93 5.253 -14.605 -0.119 664 2HB LYS 93 2HB LYS 93 5.200 -12.851 -0.220 665 1HG LYS 93 1HG LYS 93 6.364 -12.723 1.979 666 2HG LYS 93 2HG LYS 93 6.470 -14.485 1.992 667 1HD LYS 93 1HD LYS 93 7.565 -14.119 -0.389 668 2HD LYS 93 2HD LYS 93 7.912 -12.515 0.255 669 1HE LYS 93 1HE LYS 93 9.016 -13.558 2.228 670 2HE LYS 93 2HE LYS 93 8.723 -15.158 1.517 671 1HZ LYS 93 1HZ LYS 93 10.102 -12.963 0.075 672 2HZ LYS 93 2HZ LYS 93 9.984 -14.592 -0.390 673 3HZ LYS 93 3HZ LYS 93 10.932 -14.155 0.951 674 H LYS 94 H LYS 94 2.144 -14.627 -0.232 675 HA LYS 94 HA LYS 94 1.214 -12.094 -1.346 676 1HB LYS 94 1HB LYS 94 0.949 -14.928 -1.772 677 2HB LYS 94 2HB LYS 94 -0.658 -14.203 -1.736 678 1HG LYS 94 1HG LYS 94 0.102 -12.498 -3.383 679 2HG LYS 94 2HG LYS 94 1.667 -13.306 -3.463 680 1HD LYS 94 1HD LYS 94 0.078 -15.430 -3.921 681 2HD LYS 94 2HD LYS 94 -0.962 -14.158 -4.568 682 1HE LYS 94 1HE LYS 94 1.434 -13.426 -5.650 683 2HE LYS 94 2HE LYS 94 1.609 -15.192 -5.615 684 1HZ LYS 94 1HZ LYS 94 -0.463 -15.456 -6.720 685 2HZ LYS 94 2HZ LYS 94 0.430 -14.324 -7.619 686 3HZ LYS 94 3HZ LYS 94 -0.823 -13.803 -6.596 687 H LYS 95 H LYS 95 0.217 -14.242 1.272 688 HA LYS 95 HA LYS 95 -2.345 -12.885 1.718 689 1HB LYS 95 1HB LYS 95 -2.488 -14.461 3.569 690 2HB LYS 95 2HB LYS 95 -1.824 -15.309 2.174 691 1HG LYS 95 1HG LYS 95 0.145 -15.691 3.214 692 2HG LYS 95 2HG LYS 95 0.245 -14.031 3.801 693 1HD LYS 95 1HD LYS 95 -1.644 -14.774 5.453 694 2HD LYS 95 2HD LYS 95 -1.089 -16.405 5.074 695 1HE LYS 95 1HE LYS 95 1.101 -14.514 5.659 696 2HE LYS 95 2HE LYS 95 0.021 -14.828 7.032 697 1HZ LYS 95 1HZ LYS 95 0.369 -17.105 6.895 698 2HZ LYS 95 2HZ LYS 95 1.919 -16.482 6.589 699 3HZ LYS 95 3HZ LYS 95 0.953 -17.033 5.305 700 H GLU 96 H GLU 96 0.952 -12.506 2.701 701 HA GLU 96 HA GLU 96 0.276 -10.778 5.020 702 1HB GLU 96 1HB GLU 96 2.673 -10.934 5.405 703 2HB GLU 96 2HB GLU 96 2.081 -12.535 4.999 704 1HG GLU 96 1HG GLU 96 2.862 -12.307 2.739 705 2HG GLU 96 2HG GLU 96 3.308 -10.624 3.017 706 H LEU 97 H LEU 97 1.867 -10.657 1.879 707 HA LEU 97 HA LEU 97 2.401 -7.789 1.957 708 1HB LEU 97 1HB LEU 97 2.433 -9.886 -0.219 709 2HB LEU 97 2HB LEU 97 3.094 -8.259 -0.385 710 HG LEU 97 HG LEU 97 4.016 -10.442 1.488 711 1HD1 LEU 97 1HD1 LEU 97 5.718 -10.664 0.042 712 2HD1 LEU 97 2HD1 LEU 97 5.974 -8.920 -0.028 713 3HD1 LEU 97 3HD1 LEU 97 4.772 -9.679 -1.072 714 1HD2 LEU 97 1HD2 LEU 97 5.664 -8.660 2.269 715 2HD2 LEU 97 2HD2 LEU 97 4.005 -8.449 2.829 716 3HD2 LEU 97 3HD2 LEU 97 4.615 -7.474 1.492 717 H THR 98 H THR 98 0.384 -9.685 -0.312 718 HA THR 98 HA THR 98 -1.211 -7.262 -0.866 719 HB THR 98 HB THR 98 -2.238 -8.840 -2.558 720 HG1 THR 98 1HG THR 98 -1.929 -10.840 -1.958 721 1HG2 THR 98 1HG2 THR 98 0.174 -7.504 -2.563 722 2HG2 THR 98 2HG2 THR 98 -0.568 -8.255 -3.975 723 3HG2 THR 98 3HG2 THR 98 0.642 -9.135 -3.042 724 H GLY 99 H GLY 99 -1.471 -10.151 1.037 725 1HA GLY 99 1HA GLY 99 -4.224 -10.600 1.128 726 2HA GLY 99 2HA GLY 99 -3.174 -10.768 2.539 727 H CYS 100 H CYS 100 -5.905 -9.295 1.656 728 HA CYS 100 HA CYS 100 -5.401 -6.599 2.664 729 1HB CYS 100 1HB CYS 100 -8.154 -7.618 2.669 730 2HB CYS 100 2HB CYS 100 -7.508 -6.193 1.899 731 H LYS 101 H LYS 101 -7.582 -9.161 3.823 732 HA LYS 101 HA LYS 101 -7.262 -8.069 6.568 733 1HB LYS 101 1HB LYS 101 -9.142 -10.193 5.489 734 2HB LYS 101 2HB LYS 101 -9.303 -9.315 7.011 735 1HG LYS 101 1HG LYS 101 -9.284 -7.184 5.503 736 2HG LYS 101 2HG LYS 101 -9.688 -8.305 4.202 737 1HD LYS 101 1HD LYS 101 -11.415 -9.096 6.194 738 2HD LYS 101 2HD LYS 101 -11.350 -7.350 6.434 739 1HE LYS 101 1HE LYS 101 -11.675 -7.226 3.836 740 2HE LYS 101 2HE LYS 101 -12.283 -8.884 4.016 741 1HZ LYS 101 1HZ LYS 101 -13.205 -6.513 5.558 742 2HZ LYS 101 2HZ LYS 101 -13.757 -8.106 5.778 743 3HZ LYS 101 3HZ LYS 101 -14.073 -7.287 4.323 744 H GLY 102 H GLY 102 -5.605 -9.016 7.710 745 1HA GLY 102 1HA GLY 102 -4.930 -11.028 8.971 746 2HA GLY 102 2HA GLY 102 -5.350 -11.989 7.551 747 H SER 103 H SER 103 -3.939 -9.346 6.266 748 HA SER 103 HA SER 103 -1.410 -10.750 5.782 749 1HB SER 103 1HB SER 103 -1.066 -8.824 4.267 750 2HB SER 103 2HB SER 103 -2.654 -9.536 4.035 751 HG SER 103 HG SER 103 -2.161 -7.057 4.531 752 H LYS 104 H LYS 104 0.167 -8.326 5.538 753 HA LYS 104 HA LYS 104 0.864 -7.899 8.409 754 1HB LYS 104 1HB LYS 104 2.258 -7.472 5.749 755 2HB LYS 104 2HB LYS 104 2.982 -7.081 7.307 756 1HG LYS 104 1HG LYS 104 1.866 -9.832 6.890 757 2HG LYS 104 2HG LYS 104 3.436 -9.436 6.190 758 1HD LYS 104 1HD LYS 104 3.203 -8.494 8.941 759 2HD LYS 104 2HD LYS 104 2.974 -10.239 8.819 760 1HE LYS 104 1HE LYS 104 5.350 -8.639 7.809 761 2HE LYS 104 2HE LYS 104 5.349 -9.877 9.079 762 1HZ LYS 104 1HZ LYS 104 4.153 -11.180 7.081 763 2HZ LYS 104 2HZ LYS 104 5.825 -11.250 7.375 764 3HZ LYS 104 3HZ LYS 104 5.211 -10.193 6.196 765 H CYS 105 H CYS 105 -0.196 -6.402 5.482 766 HA CYS 105 HA CYS 105 0.291 -3.648 6.272 767 1HB CYS 105 1HB CYS 105 -0.169 -5.136 3.981 768 2HB CYS 105 2HB CYS 105 -1.665 -4.256 4.183 769 H HIS 106 H HIS 106 -2.365 -5.938 6.591 770 HA HIS 106 HA HIS 106 -4.054 -3.745 7.758 771 1HB HIS 106 1HB HIS 106 -4.571 -6.062 5.950 772 2HB HIS 106 2HB HIS 106 -5.853 -5.615 7.077 773 HD1 HIS 106 HD1 HIS 106 -5.237 -2.519 7.034 774 HD2 HIS 106 HD2 HIS 106 -5.783 -4.908 3.642 775 HE1 HIS 106 HE1 HIS 106 -5.818 -0.945 5.145 776 H SER 107 H SER 107 -3.028 -4.230 9.871 777 HA SER 107 HA SER 107 -3.387 -6.914 11.022 778 1HB SER 107 1HB SER 107 -1.540 -5.027 11.349 779 2HB SER 107 2HB SER 107 -2.660 -4.460 12.584 780 HG SER 107 HG SER 107 -1.502 -5.913 13.667 781 HHA HEC 201 HHA HEC 201 6.069 8.810 5.616 782 HHB HEC 201 HHB HEC 201 12.166 9.745 4.868 783 HHC HEC 201 HHC HEC 201 12.565 4.665 1.116 784 HHD HEC 201 HHD HEC 201 6.435 3.668 1.800 785 1HMA HEC 201 1HMA HEC 201 9.839 10.737 7.965 786 2HMA HEC 201 2HMA HEC 201 10.278 11.878 6.692 787 3HMA HEC 201 3HMA HEC 201 11.362 10.546 7.093 788 1HAA HEC 201 1HAA HEC 201 6.721 9.711 7.477 789 2HAA HEC 201 2HAA HEC 201 7.923 10.957 7.796 790 1HBA HEC 201 1HBA HEC 201 6.708 11.413 5.222 791 2HBA HEC 201 2HBA HEC 201 5.456 11.262 6.456 792 1HMB HEC 201 1HMB HEC 201 15.069 9.042 3.038 793 2HMB HEC 201 2HMB HEC 201 14.097 9.581 4.406 794 3HMB HEC 201 3HMB HEC 201 15.126 8.158 4.563 795 HAB HEC 201 HAB HEC 201 14.434 5.431 1.272 796 1HBB HEC 201 1HBB HEC 201 15.239 4.891 3.569 797 2HBB HEC 201 2HBB HEC 201 16.016 6.473 3.644 798 3HBB HEC 201 3HBB HEC 201 16.564 5.276 2.470 799 1HMC HEC 201 1HMC HEC 201 10.741 2.217 -0.843 800 2HMC HEC 201 2HMC HEC 201 12.087 3.169 -0.214 801 3HMC HEC 201 3HMC HEC 201 11.546 1.730 0.650 802 HAC HEC 201 HAC HEC 201 7.059 2.302 0.628 803 1HBC HEC 201 1HBC HEC 201 8.291 0.193 -0.404 804 2HBC HEC 201 2HBC HEC 201 8.101 0.366 1.340 805 3HBC HEC 201 3HBC HEC 201 9.633 0.785 0.575 806 1HMD HEC 201 1HMD HEC 201 3.401 4.742 2.778 807 2HMD HEC 201 2HMD HEC 201 4.594 3.474 3.058 808 3HMD HEC 201 3HMD HEC 201 3.745 4.200 4.422 809 1HAD HEC 201 1HAD HEC 201 4.216 8.187 5.280 810 2HAD HEC 201 2HAD HEC 201 3.171 7.316 4.162 811 1HBD HEC 201 1HBD HEC 201 3.040 5.424 5.657 812 2HBD HEC 201 2HBD HEC 201 4.258 6.124 6.724 813 HHA HEC 202 HHA HEC 202 1.531 7.635 -9.527 814 HHB HEC 202 HHB HEC 202 2.860 4.062 -4.912 815 HHC HEC 202 HHC HEC 202 4.535 8.921 -1.280 816 HHD HEC 202 HHD HEC 202 2.653 12.860 -5.923 817 1HMA HEC 202 1HMA HEC 202 2.058 2.785 -7.404 818 2HMA HEC 202 2HMA HEC 202 0.347 3.208 -7.371 819 3HMA HEC 202 3HMA HEC 202 1.261 3.118 -5.867 820 1HAA HEC 202 1HAA HEC 202 1.060 5.343 -10.065 821 2HAA HEC 202 2HAA HEC 202 -0.005 4.400 -9.058 822 1HBA HEC 202 1HBA HEC 202 -1.329 6.395 -8.552 823 2HBA HEC 202 2HBA HEC 202 -0.252 7.371 -9.546 824 1HMB HEC 202 1HMB HEC 202 4.341 3.719 -1.441 825 2HMB HEC 202 2HMB HEC 202 2.880 3.458 -2.396 826 3HMB HEC 202 3HMB HEC 202 4.466 3.304 -3.151 827 HAB HEC 202 HAB HEC 202 4.150 6.978 0.052 828 1HBB HEC 202 1HBB HEC 202 6.380 6.859 0.341 829 2HBB HEC 202 2HBB HEC 202 6.546 6.248 -1.306 830 3HBB HEC 202 3HBB HEC 202 6.333 5.122 0.033 831 1HMC HEC 202 1HMC HEC 202 5.094 10.818 -0.702 832 2HMC HEC 202 2HMC HEC 202 4.101 12.275 -0.665 833 3HMC HEC 202 3HMC HEC 202 5.684 12.306 -1.442 834 HAC HEC 202 HAC HEC 202 2.842 13.973 -4.178 835 1HBC HEC 202 1HBC HEC 202 5.240 13.982 -2.297 836 2HBC HEC 202 2HBC HEC 202 4.423 15.429 -2.888 837 3HBC HEC 202 3HBC HEC 202 5.275 14.374 -4.016 838 1HMD HEC 202 1HMD HEC 202 2.787 13.474 -8.478 839 2HMD HEC 202 2HMD HEC 202 1.053 13.353 -8.182 840 3HMD HEC 202 3HMD HEC 202 1.712 12.917 -9.760 841 1HAD HEC 202 1HAD HEC 202 1.781 9.216 -10.781 842 2HAD HEC 202 2HAD HEC 202 1.031 10.802 -10.885 843 1HBD HEC 202 1HBD HEC 202 3.525 11.638 -10.583 844 2HBD HEC 202 2HBD HEC 202 3.901 10.032 -11.207 845 HHA HEC 203 HHA HEC 203 7.030 -6.933 4.586 846 HHB HEC 203 HHB HEC 203 2.663 -2.142 4.886 847 HHC HEC 203 HHC HEC 203 4.648 0.027 -0.437 848 HHD HEC 203 HHD HEC 203 8.938 -4.574 -0.913 849 1HMA HEC 203 1HMA HEC 203 3.455 -3.500 7.636 850 2HMA HEC 203 2HMA HEC 203 2.938 -5.177 7.447 851 3HMA HEC 203 3HMA HEC 203 2.148 -3.900 6.522 852 1HAA HEC 203 1HAA HEC 203 4.773 -6.187 7.698 853 2HAA HEC 203 2HAA HEC 203 4.598 -7.386 6.423 854 1HBA HEC 203 1HBA HEC 203 6.812 -7.854 6.412 855 2HBA HEC 203 2HBA HEC 203 7.256 -6.148 6.468 856 1HMB HEC 203 1HMB HEC 203 1.295 -0.586 4.363 857 2HMB HEC 203 2HMB HEC 203 2.479 0.606 4.900 858 3HMB HEC 203 3HMB HEC 203 1.447 0.952 3.513 859 HAB HEC 203 HAB HEC 203 2.817 0.841 0.085 860 1HBB HEC 203 1HBB HEC 203 4.537 2.331 1.648 861 2HBB HEC 203 2HBB HEC 203 2.987 3.114 1.954 862 3HBB HEC 203 3HBB HEC 203 3.593 2.978 0.303 863 1HMC HEC 203 1HMC HEC 203 7.350 0.182 -2.746 864 2HMC HEC 203 2HMC HEC 203 6.022 -0.730 -3.464 865 3HMC HEC 203 3HMC HEC 203 5.707 0.391 -2.138 866 HAC HEC 203 HAC HEC 203 9.182 -3.439 -2.545 867 1HBC HEC 203 1HBC HEC 203 9.292 -0.843 -2.631 868 2HBC HEC 203 2HBC HEC 203 8.240 -0.992 -4.035 869 3HBC HEC 203 3HBC HEC 203 9.837 -1.739 -4.047 870 1HMD HEC 203 1HMD HEC 203 9.877 -7.693 0.032 871 2HMD HEC 203 2HMD HEC 203 10.939 -6.820 1.137 872 3HMD HEC 203 3HMD HEC 203 10.328 -6.024 -0.313 873 1HAD HEC 203 1HAD HEC 203 10.097 -7.855 3.184 874 2HAD HEC 203 2HAD HEC 203 8.641 -7.938 4.168 875 1HBD HEC 203 1HBD HEC 203 7.744 -9.082 1.868 876 2HBD HEC 203 2HBD HEC 203 9.438 -9.573 1.837 877 HHA HEC 204 HHA HEC 204 -6.796 2.208 3.757 878 HHB HEC 204 HHB HEC 204 -10.067 -2.280 0.816 879 HHC HEC 204 HHC HEC 204 -4.794 -5.953 0.868 880 HHD HEC 204 HHD HEC 204 -1.492 -1.012 2.681 881 1HMA HEC 204 1HMA HEC 204 -11.119 0.856 0.906 882 2HMA HEC 204 2HMA HEC 204 -11.698 0.420 2.515 883 3HMA HEC 204 3HMA HEC 204 -11.413 -0.837 1.311 884 1HAA HEC 204 1HAA HEC 204 -10.233 2.116 4.051 885 2HAA HEC 204 2HAA HEC 204 -8.651 2.832 3.748 886 1HBA HEC 204 1HBA HEC 204 -9.269 3.152 1.368 887 2HBA HEC 204 2HBA HEC 204 -10.858 2.479 1.706 888 1HMB HEC 204 1HMB HEC 204 -9.688 -4.864 -1.652 889 2HMB HEC 204 2HMB HEC 204 -10.512 -3.896 -0.430 890 3HMB HEC 204 3HMB HEC 204 -10.225 -5.613 -0.148 891 HAB HEC 204 HAB HEC 204 -6.408 -7.015 0.159 892 1HBB HEC 204 1HBB HEC 204 -5.663 -6.390 -1.963 893 2HBB HEC 204 2HBB HEC 204 -7.252 -5.803 -2.459 894 3HBB HEC 204 3HBB HEC 204 -6.950 -7.537 -2.335 895 1HMC HEC 204 1HMC HEC 204 -1.604 -6.073 0.423 896 2HMC HEC 204 2HMC HEC 204 -1.535 -6.218 2.178 897 3HMC HEC 204 3HMC HEC 204 -3.004 -6.667 1.314 898 HAC HEC 204 HAC HEC 204 -0.412 -2.523 2.901 899 1HBC HEC 204 1HBC HEC 204 0.426 -4.308 0.592 900 2HBC HEC 204 2HBC HEC 204 1.426 -3.147 1.468 901 3HBC HEC 204 3HBC HEC 204 0.132 -2.579 0.413 902 1HMD HEC 204 1HMD HEC 204 -1.644 2.591 3.938 903 2HMD HEC 204 2HMD HEC 204 -1.207 0.970 4.478 904 3HMD HEC 204 3HMD HEC 204 -1.011 1.417 2.784 905 1HAD HEC 204 1HAD HEC 204 -3.654 3.792 3.655 906 2HAD HEC 204 2HAD HEC 204 -5.331 3.461 4.082 907 1HBD HEC 204 1HBD HEC 204 -4.157 2.169 6.105 908 2HBD HEC 204 2HBD HEC 204 -2.884 3.340 5.774 Start of MODEL 16 1 1H ALA 1 1H ALA 1 20.561 14.493 1.159 2 2H ALA 1 2H ALA 1 20.699 15.315 2.640 3 3H ALA 1 3H ALA 1 19.165 14.970 1.996 4 HA ALA 1 HA ALA 1 20.081 12.499 2.126 5 1HB ALA 1 1HB ALA 1 22.275 13.284 2.884 6 2HB ALA 1 2HB ALA 1 21.499 12.382 4.185 7 3HB ALA 1 3HB ALA 1 21.528 14.144 4.229 8 HA PRO 2 HA PRO 2 16.376 13.451 4.589 9 1HB PRO 2 1HB PRO 2 14.993 11.245 3.755 10 2HB PRO 2 2HB PRO 2 15.054 12.750 2.827 11 1HG PRO 2 1HG PRO 2 16.566 10.222 2.431 12 2HG PRO 2 2HG PRO 2 15.891 11.331 1.228 13 1HD PRO 2 1HD PRO 2 18.539 11.253 1.897 14 2HD PRO 2 2HD PRO 2 17.720 12.703 1.275 15 H LYS 3 H LYS 3 15.668 12.465 6.543 16 HA LYS 3 HA LYS 3 17.320 10.134 7.432 17 1HB LYS 3 1HB LYS 3 15.760 12.185 9.012 18 2HB LYS 3 2HB LYS 3 16.874 10.986 9.663 19 1HG LYS 3 1HG LYS 3 18.758 12.027 8.616 20 2HG LYS 3 2HG LYS 3 17.722 13.063 7.634 21 1HD LYS 3 1HD LYS 3 17.916 14.625 9.247 22 2HD LYS 3 2HD LYS 3 16.935 13.576 10.272 23 1HE LYS 3 1HE LYS 3 18.901 12.520 11.205 24 2HE LYS 3 2HE LYS 3 19.955 13.340 10.035 25 1HZ LYS 3 1HZ LYS 3 18.245 14.649 12.084 26 2HZ LYS 3 2HZ LYS 3 19.140 15.473 10.899 27 3HZ LYS 3 3HZ LYS 3 19.938 14.570 12.097 28 H ALA 4 H ALA 4 15.874 8.596 6.466 29 HA ALA 4 HA ALA 4 13.147 8.296 6.542 30 1HB ALA 4 1HB ALA 4 14.665 5.947 7.533 31 2HB ALA 4 2HB ALA 4 15.299 6.689 6.065 32 3HB ALA 4 3HB ALA 4 13.638 6.096 6.108 33 HA PRO 5 HA PRO 5 12.158 8.482 10.826 34 1HB PRO 5 1HB PRO 5 9.527 7.744 10.622 35 2HB PRO 5 2HB PRO 5 10.134 9.353 10.196 36 1HG PRO 5 1HG PRO 5 9.286 7.139 8.444 37 2HG PRO 5 2HG PRO 5 9.302 8.880 8.146 38 1HD PRO 5 1HD PRO 5 11.168 7.010 7.190 39 2HD PRO 5 2HD PRO 5 11.320 8.777 7.142 40 H ALA 6 H ALA 6 11.464 7.049 12.575 41 HA ALA 6 HA ALA 6 12.572 4.454 12.482 42 1HB ALA 6 1HB ALA 6 10.447 5.665 14.281 43 2HB ALA 6 2HB ALA 6 12.192 5.781 14.515 44 3HB ALA 6 3HB ALA 6 11.384 4.218 14.658 45 H ASP 7 H ASP 7 11.611 2.421 12.293 46 HA ASP 7 HA ASP 7 9.470 2.064 10.457 47 1HB ASP 7 1HB ASP 7 10.373 0.102 12.575 48 2HB ASP 7 2HB ASP 7 9.799 -0.250 10.946 49 H GLY 8 H GLY 8 7.378 1.059 10.964 50 1HA GLY 8 1HA GLY 8 5.572 0.536 12.486 51 2HA GLY 8 2HA GLY 8 6.379 1.501 13.722 52 H LEU 9 H LEU 9 6.259 2.899 10.574 53 HA LEU 9 HA LEU 9 4.798 5.201 11.463 54 1HB LEU 9 1HB LEU 9 6.256 4.377 9.225 55 2HB LEU 9 2HB LEU 9 4.626 4.652 8.603 56 HG LEU 9 HG LEU 9 5.630 6.688 10.503 57 1HD1 LEU 9 1HD1 LEU 9 6.781 7.767 8.393 58 2HD1 LEU 9 2HD1 LEU 9 6.916 6.093 7.852 59 3HD1 LEU 9 3HD1 LEU 9 7.672 6.596 9.366 60 1HD2 LEU 9 1HD2 LEU 9 4.613 8.164 8.695 61 2HD2 LEU 9 2HD2 LEU 9 3.486 7.036 9.462 62 3HD2 LEU 9 3HD2 LEU 9 4.143 6.681 7.864 63 H LYS 10 H LYS 10 2.661 5.245 11.940 64 HA LYS 10 HA LYS 10 0.890 3.172 10.744 65 1HB LYS 10 1HB LYS 10 0.956 4.878 13.179 66 2HB LYS 10 2HB LYS 10 -0.633 4.451 12.543 67 1HG LYS 10 1HG LYS 10 0.172 2.039 12.471 68 2HG LYS 10 2HG LYS 10 1.569 2.569 13.409 69 1HD LYS 10 1HD LYS 10 -0.175 3.607 15.026 70 2HD LYS 10 2HD LYS 10 -1.336 2.554 14.214 71 1HE LYS 10 1HE LYS 10 0.024 0.580 14.777 72 2HE LYS 10 2HE LYS 10 1.228 1.623 15.561 73 1HZ LYS 10 1HZ LYS 10 -0.150 2.099 17.276 74 2HZ LYS 10 2HZ LYS 10 -0.815 0.585 16.883 75 3HZ LYS 10 3HZ LYS 10 -1.556 2.011 16.332 76 H MET 11 H MET 11 0.080 3.851 8.818 77 HA MET 11 HA MET 11 -0.585 6.685 8.335 78 1HB MET 11 1HB MET 11 -0.058 4.245 6.842 79 2HB MET 11 2HB MET 11 -1.524 5.033 6.255 80 1HG MET 11 1HG MET 11 1.172 6.372 6.614 81 2HG MET 11 2HG MET 11 0.465 5.888 5.076 82 1HE MET 11 1HE MET 11 0.369 9.373 7.479 83 2HE MET 11 2HE MET 11 0.927 9.582 5.821 84 3HE MET 11 3HE MET 11 1.556 8.255 6.793 85 H ASP 12 H ASP 12 -2.434 7.295 9.413 86 HA ASP 12 HA ASP 12 -4.747 5.389 9.423 87 1HB ASP 12 1HB ASP 12 -5.492 7.056 11.247 88 2HB ASP 12 2HB ASP 12 -4.112 6.026 11.603 89 H LYS 13 H LYS 13 -3.838 7.429 7.281 90 HA LYS 13 HA LYS 13 -5.553 9.625 7.048 91 1HB LYS 13 1HB LYS 13 -4.393 7.615 5.124 92 2HB LYS 13 2HB LYS 13 -5.350 8.974 4.542 93 1HG LYS 13 1HG LYS 13 -2.872 9.168 6.280 94 2HG LYS 13 2HG LYS 13 -2.952 9.552 4.558 95 1HD LYS 13 1HD LYS 13 -5.003 11.076 5.514 96 2HD LYS 13 2HD LYS 13 -3.892 11.118 6.884 97 1HE LYS 13 1HE LYS 13 -2.055 11.801 5.312 98 2HE LYS 13 2HE LYS 13 -3.266 11.909 4.019 99 1HZ LYS 13 1HZ LYS 13 -3.200 14.044 4.954 100 2HZ LYS 13 2HZ LYS 13 -3.144 13.451 6.544 101 3HZ LYS 13 3HZ LYS 13 -4.576 13.326 5.638 102 H THR 14 H THR 14 -6.266 6.212 6.696 103 HA THR 14 HA THR 14 -9.119 6.878 6.018 104 HB THR 14 HB THR 14 -9.075 4.493 5.114 105 HG1 THR 14 1HG THR 14 -7.183 3.923 6.321 106 1HG2 THR 14 1HG2 THR 14 -8.744 6.638 3.762 107 2HG2 THR 14 2HG2 THR 14 -8.118 5.156 3.039 108 3HG2 THR 14 3HG2 THR 14 -7.017 6.288 3.824 109 H LYS 15 H LYS 15 -10.389 4.598 6.665 110 HA LYS 15 HA LYS 15 -10.437 4.600 9.573 111 1HB LYS 15 1HB LYS 15 -11.858 3.308 7.280 112 2HB LYS 15 2HB LYS 15 -12.023 2.556 8.866 113 1HG LYS 15 1HG LYS 15 -13.736 4.065 9.073 114 2HG LYS 15 2HG LYS 15 -12.423 5.140 9.552 115 1HD LYS 15 1HD LYS 15 -12.357 6.207 7.475 116 2HD LYS 15 2HD LYS 15 -13.119 4.851 6.643 117 1HE LYS 15 1HE LYS 15 -15.229 5.593 7.121 118 2HE LYS 15 2HE LYS 15 -14.777 6.099 8.762 119 1HZ LYS 15 1HZ LYS 15 -15.168 7.823 6.768 120 2HZ LYS 15 2HZ LYS 15 -13.503 7.541 6.582 121 3HZ LYS 15 3HZ LYS 15 -14.110 8.121 8.060 122 H GLN 16 H GLN 16 -8.977 2.640 7.077 123 HA GLN 16 HA GLN 16 -8.164 0.562 9.058 124 1HB GLN 16 1HB GLN 16 -8.356 0.793 6.058 125 2HB GLN 16 2HB GLN 16 -7.376 -0.479 6.787 126 1HG GLN 16 1HG GLN 16 -9.685 -0.659 8.258 127 2HG GLN 16 2HG GLN 16 -10.309 -0.203 6.671 128 1HE2 GLN 16 2HE2 GLN 16 -7.438 -2.219 7.474 129 2HE2 GLN 16 1HE2 GLN 16 -7.987 -3.596 6.647 130 HA PRO 17 HA PRO 17 -4.460 3.285 8.735 131 1HB PRO 17 1HB PRO 17 -3.633 2.805 11.306 132 2HB PRO 17 2HB PRO 17 -4.804 4.070 10.878 133 1HG PRO 17 1HG PRO 17 -5.294 1.325 11.945 134 2HG PRO 17 2HG PRO 17 -6.065 2.859 12.385 135 1HD PRO 17 1HD PRO 17 -7.256 1.078 10.748 136 2HD PRO 17 2HD PRO 17 -7.470 2.834 10.554 137 H VAL 18 H VAL 18 -2.376 2.557 8.257 138 HA VAL 18 HA VAL 18 -1.811 -0.343 8.752 139 HB VAL 18 HB VAL 18 -1.411 1.494 6.390 140 1HG1 VAL 18 1HG1 VAL 18 -0.373 -0.887 5.570 141 2HG1 VAL 18 2HG1 VAL 18 0.177 -0.843 7.245 142 3HG1 VAL 18 3HG1 VAL 18 0.600 0.467 6.145 143 1HG2 VAL 18 1HG2 VAL 18 -3.396 0.457 5.949 144 2HG2 VAL 18 2HG2 VAL 18 -3.077 -0.851 7.088 145 3HG2 VAL 18 3HG2 VAL 18 -2.366 -0.894 5.474 146 H VAL 19 H VAL 19 0.303 -0.826 9.436 147 HA VAL 19 HA VAL 19 1.963 1.481 10.314 148 HB VAL 19 HB VAL 19 1.877 -1.489 10.897 149 1HG1 VAL 19 1HG1 VAL 19 4.132 -1.228 11.225 150 2HG1 VAL 19 2HG1 VAL 19 3.592 -0.531 12.753 151 3HG1 VAL 19 3HG1 VAL 19 4.007 0.522 11.401 152 1HG2 VAL 19 1HG2 VAL 19 0.247 0.295 11.902 153 2HG2 VAL 19 2HG2 VAL 19 1.643 0.770 12.870 154 3HG2 VAL 19 3HG2 VAL 19 1.008 -0.870 12.986 155 H PHE 20 H PHE 20 3.403 2.123 8.671 156 HA PHE 20 HA PHE 20 4.562 0.050 6.890 157 1HB PHE 20 1HB PHE 20 3.745 2.180 5.948 158 2HB PHE 20 2HB PHE 20 4.855 3.074 6.986 159 HD1 PHE 20 HD1 PHE 20 4.969 0.164 4.609 160 HD2 PHE 20 HD2 PHE 20 6.881 3.728 6.041 161 HE1 PHE 20 HE1 PHE 20 6.797 -0.150 2.964 162 HE2 PHE 20 HE2 PHE 20 8.704 3.415 4.399 163 HZ PHE 20 HZ PHE 20 8.668 1.476 2.859 164 H ASN 21 H ASN 21 6.431 -0.939 7.528 165 HA ASN 21 HA ASN 21 8.178 0.397 9.518 166 1HB ASN 21 1HB ASN 21 7.290 -2.267 8.795 167 2HB ASN 21 2HB ASN 21 9.042 -2.190 8.870 168 1HD2 ASN 21 2HD2 ASN 21 9.182 -3.375 10.897 169 2HD2 ASN 21 1HD2 ASN 21 8.650 -2.704 12.361 170 H HIS 22 H HIS 22 9.450 1.840 8.248 171 HA HIS 22 HA HIS 22 10.454 1.488 5.661 172 1HB HIS 22 1HB HIS 22 11.371 2.857 8.164 173 2HB HIS 22 2HB HIS 22 12.473 2.813 6.788 174 HD1 HIS 22 HD1 HIS 22 9.607 4.624 8.117 175 HD2 HIS 22 HD2 HIS 22 11.175 3.931 4.314 176 HE1 HIS 22 HE1 HIS 22 8.642 6.409 6.609 177 H SER 23 H SER 23 11.632 0.094 8.700 178 HA SER 23 HA SER 23 14.150 -0.885 7.968 179 1HB SER 23 1HB SER 23 13.553 -1.310 10.169 180 2HB SER 23 2HB SER 23 11.902 -1.752 9.740 181 HG SER 23 HG SER 23 14.267 -3.270 9.632 182 H THR 24 H THR 24 10.947 -2.294 7.279 183 HA THR 24 HA THR 24 12.026 -4.598 5.859 184 HB THR 24 HB THR 24 9.320 -4.000 5.155 185 HG1 THR 24 1HG THR 24 9.862 -3.718 7.920 186 1HG2 THR 24 1HG2 THR 24 10.885 -6.017 6.583 187 2HG2 THR 24 2HG2 THR 24 9.482 -6.220 5.535 188 3HG2 THR 24 3HG2 THR 24 9.260 -5.824 7.239 189 H HIS 25 H HIS 25 11.747 -1.327 5.092 190 HA HIS 25 HA HIS 25 11.679 -1.919 2.165 191 1HB HIS 25 1HB HIS 25 10.796 0.518 3.740 192 2HB HIS 25 2HB HIS 25 10.614 0.286 2.004 193 HD1 HIS 25 HD1 HIS 25 9.321 -0.953 5.302 194 HD2 HIS 25 HD2 HIS 25 8.571 -1.545 1.247 195 HE1 HIS 25 HE1 HIS 25 7.183 -2.301 5.160 196 H LYS 26 H LYS 26 13.648 -0.915 4.714 197 HA LYS 26 HA LYS 26 15.150 1.248 3.676 198 1HB LYS 26 1HB LYS 26 16.857 0.457 5.222 199 2HB LYS 26 2HB LYS 26 15.278 0.165 5.954 200 1HG LYS 26 1HG LYS 26 15.348 -2.175 5.127 201 2HG LYS 26 2HG LYS 26 16.954 -1.876 4.463 202 1HD LYS 26 1HD LYS 26 16.536 -1.184 7.329 203 2HD LYS 26 2HD LYS 26 16.591 -2.900 6.922 204 1HE LYS 26 1HE LYS 26 18.736 -2.275 5.566 205 2HE LYS 26 2HE LYS 26 18.742 -0.815 6.576 206 1HZ LYS 26 1HZ LYS 26 18.932 -2.030 8.503 207 2HZ LYS 26 2HZ LYS 26 19.871 -2.972 7.447 208 3HZ LYS 26 3HZ LYS 26 18.281 -3.439 7.822 209 H ALA 27 H ALA 27 15.027 -2.109 2.739 210 HA ALA 27 HA ALA 27 17.486 -1.918 1.093 211 1HB ALA 27 1HB ALA 27 15.452 -4.150 1.418 212 2HB ALA 27 2HB ALA 27 16.840 -3.923 2.483 213 3HB ALA 27 3HB ALA 27 17.089 -4.301 0.778 214 H VAL 28 H VAL 28 14.265 -1.062 0.799 215 HA VAL 28 HA VAL 28 13.852 -1.873 -1.994 216 HB VAL 28 HB VAL 28 12.395 -0.135 0.009 217 1HG1 VAL 28 1HG1 VAL 28 10.514 -0.160 -1.628 218 2HG1 VAL 28 2HG1 VAL 28 11.604 -0.869 -2.819 219 3HG1 VAL 28 3HG1 VAL 28 11.907 0.753 -2.197 220 1HG2 VAL 28 1HG2 VAL 28 11.797 -2.849 -1.202 221 2HG2 VAL 28 2HG2 VAL 28 10.758 -1.995 -0.062 222 3HG2 VAL 28 3HG2 VAL 28 12.351 -2.553 0.446 223 H LYS 29 H LYS 29 13.128 0.092 -3.484 224 HA LYS 29 HA LYS 29 15.437 1.928 -3.530 225 1HB LYS 29 1HB LYS 29 13.554 0.763 -5.378 226 2HB LYS 29 2HB LYS 29 13.603 2.516 -5.574 227 1HG LYS 29 1HG LYS 29 15.425 2.077 -6.866 228 2HG LYS 29 2HG LYS 29 16.250 1.982 -5.308 229 1HD LYS 29 1HD LYS 29 15.127 -0.548 -5.619 230 2HD LYS 29 2HD LYS 29 15.694 -0.138 -7.238 231 1HE LYS 29 1HE LYS 29 17.916 0.515 -6.189 232 2HE LYS 29 2HE LYS 29 17.325 -0.209 -4.681 233 1HZ LYS 29 1HZ LYS 29 17.086 -1.690 -7.216 234 2HZ LYS 29 2HZ LYS 29 17.167 -2.289 -5.628 235 3HZ LYS 29 3HZ LYS 29 18.566 -1.693 -6.386 236 H CYS 30 H CYS 30 15.181 3.568 -2.120 237 HA CYS 30 HA CYS 30 12.898 4.761 -1.063 238 1HB CYS 30 1HB CYS 30 15.633 5.745 -1.829 239 2HB CYS 30 2HB CYS 30 14.451 6.904 -1.228 240 H GLY 31 H GLY 31 14.130 4.959 -4.315 241 1HA GLY 31 1HA GLY 31 12.378 7.231 -5.014 242 2HA GLY 31 2HA GLY 31 13.513 6.428 -6.102 243 H ASP 32 H ASP 32 12.169 3.814 -4.875 244 HA ASP 32 HA ASP 32 10.282 3.515 -7.098 245 1HB ASP 32 1HB ASP 32 11.883 1.890 -5.477 246 2HB ASP 32 2HB ASP 32 10.240 1.466 -5.018 247 H CYS 33 H CYS 33 10.201 4.202 -3.674 248 HA CYS 33 HA CYS 33 7.227 4.025 -3.579 249 1HB CYS 33 1HB CYS 33 9.485 4.379 -1.589 250 2HB CYS 33 2HB CYS 33 7.806 4.629 -1.120 251 H HIS 34 H HIS 34 9.788 6.336 -2.582 252 HA HIS 34 HA HIS 34 7.945 8.627 -2.899 253 1HB HIS 34 1HB HIS 34 10.864 8.300 -2.109 254 2HB HIS 34 2HB HIS 34 10.035 9.847 -2.146 255 HD1 HIS 34 HD1 HIS 34 7.678 9.814 -0.612 256 HD2 HIS 34 HD2 HIS 34 10.680 7.084 0.349 257 HE1 HIS 34 HE1 HIS 34 7.255 9.087 1.778 258 H HIS 35 H HIS 35 8.351 7.225 -5.320 259 HA HIS 35 HA HIS 35 10.354 7.660 -7.069 260 1HB HIS 35 1HB HIS 35 8.479 8.241 -8.752 261 2HB HIS 35 2HB HIS 35 8.334 6.734 -7.868 262 HD1 HIS 35 HD1 HIS 35 7.042 10.225 -7.916 263 HD2 HIS 35 HD2 HIS 35 6.076 6.577 -6.174 264 HE1 HIS 35 HE1 HIS 35 4.773 10.535 -6.847 265 HA PRO 36 HA PRO 36 11.486 11.837 -7.395 266 1HB PRO 36 1HB PRO 36 11.980 12.072 -10.085 267 2HB PRO 36 2HB PRO 36 13.058 11.216 -8.962 268 1HG PRO 36 1HG PRO 36 10.976 10.109 -10.796 269 2HG PRO 36 2HG PRO 36 12.615 9.520 -10.466 270 1HD PRO 36 1HD PRO 36 10.452 8.388 -9.338 271 2HD PRO 36 2HD PRO 36 12.001 8.520 -8.471 272 H VAL 37 H VAL 37 9.704 13.101 -6.928 273 HA VAL 37 HA VAL 37 7.726 13.645 -9.104 274 HB VAL 37 HB VAL 37 7.779 13.862 -6.096 275 1HG1 VAL 37 1HG1 VAL 37 6.853 15.986 -7.066 276 2HG1 VAL 37 2HG1 VAL 37 5.668 15.061 -6.145 277 3HG1 VAL 37 3HG1 VAL 37 5.641 15.020 -7.907 278 1HG2 VAL 37 1HG2 VAL 37 6.981 11.757 -6.741 279 2HG2 VAL 37 2HG2 VAL 37 6.195 12.392 -8.188 280 3HG2 VAL 37 3HG2 VAL 37 5.488 12.685 -6.599 281 H ASN 38 H ASN 38 7.261 15.902 -9.590 282 HA ASN 38 HA ASN 38 7.997 18.113 -10.073 283 1HB ASN 38 1HB ASN 38 7.276 17.922 -7.604 284 2HB ASN 38 2HB ASN 38 8.984 17.953 -7.231 285 1HD2 ASN 38 2HD2 ASN 38 6.504 20.024 -7.182 286 2HD2 ASN 38 1HD2 ASN 38 7.263 21.452 -7.699 287 H GLY 39 H GLY 39 10.051 15.809 -10.321 288 1HA GLY 39 1HA GLY 39 12.269 15.941 -11.205 289 2HA GLY 39 2HA GLY 39 12.408 17.572 -10.542 290 H LYS 40 H LYS 40 11.103 16.114 -8.019 291 HA LYS 40 HA LYS 40 13.657 14.879 -7.030 292 1HB LYS 40 1HB LYS 40 13.311 16.227 -4.937 293 2HB LYS 40 2HB LYS 40 13.626 17.221 -6.359 294 1HG LYS 40 1HG LYS 40 10.840 16.837 -6.325 295 2HG LYS 40 2HG LYS 40 11.285 17.176 -4.653 296 1HD LYS 40 1HD LYS 40 12.627 19.146 -5.516 297 2HD LYS 40 2HD LYS 40 11.884 18.868 -7.091 298 1HE LYS 40 1HE LYS 40 10.263 20.288 -6.303 299 2HE LYS 40 2HE LYS 40 9.683 18.853 -5.437 300 1HZ LYS 40 1HZ LYS 40 11.069 19.403 -3.575 301 2HZ LYS 40 2HZ LYS 40 10.120 20.762 -3.949 302 3HZ LYS 40 3HZ LYS 40 11.757 20.713 -4.404 303 H GLU 41 H GLU 41 13.315 13.113 -5.666 304 HA GLU 41 HA GLU 41 10.718 11.874 -5.574 305 1HB GLU 41 1HB GLU 41 13.377 11.456 -4.203 306 2HB GLU 41 2HB GLU 41 11.988 10.440 -3.818 307 1HG GLU 41 1HG GLU 41 11.861 9.586 -6.020 308 2HG GLU 41 2HG GLU 41 12.869 10.877 -6.673 309 H ASP 42 H ASP 42 9.057 12.719 -4.338 310 HA ASP 42 HA ASP 42 9.489 14.416 -2.041 311 1HB ASP 42 1HB ASP 42 7.090 12.793 -2.929 312 2HB ASP 42 2HB ASP 42 7.057 14.125 -1.774 313 H TYR 43 H TYR 43 10.716 13.395 -0.460 314 HA TYR 43 HA TYR 43 10.159 10.640 0.379 315 1HB TYR 43 1HB TYR 43 11.973 12.838 1.429 316 2HB TYR 43 2HB TYR 43 12.002 11.167 1.991 317 HD1 TYR 43 HD1 TYR 43 13.016 13.476 -0.618 318 HD2 TYR 43 HD2 TYR 43 12.566 9.317 0.365 319 HE1 TYR 43 HE1 TYR 43 14.500 12.868 -2.509 320 HE2 TYR 43 HE2 TYR 43 14.048 8.710 -1.526 321 HH TYR 43 HH TYR 43 15.872 11.086 -3.268 322 H GLN 44 H GLN 44 7.786 11.902 0.751 323 HA GLN 44 HA GLN 44 7.690 12.382 3.712 324 1HB GLN 44 1HB GLN 44 5.797 13.992 3.078 325 2HB GLN 44 2HB GLN 44 7.427 14.501 2.640 326 1HG GLN 44 1HG GLN 44 7.093 13.658 0.353 327 2HG GLN 44 2HG GLN 44 5.468 13.117 0.784 328 1HE2 GLN 44 2HE2 GLN 44 7.015 16.173 1.830 329 2HE2 GLN 44 1HE2 GLN 44 5.905 17.189 1.044 330 H LYS 45 H LYS 45 5.291 12.157 4.467 331 HA LYS 45 HA LYS 45 4.388 9.555 4.274 332 1HB LYS 45 1HB LYS 45 2.075 10.727 4.702 333 2HB LYS 45 2HB LYS 45 3.364 10.891 5.889 334 1HG LYS 45 1HG LYS 45 3.710 12.935 3.917 335 2HG LYS 45 2HG LYS 45 2.029 12.957 4.446 336 1HD LYS 45 1HD LYS 45 4.253 12.772 6.463 337 2HD LYS 45 2HD LYS 45 3.770 14.335 5.807 338 1HE LYS 45 1HE LYS 45 2.150 14.350 7.402 339 2HE LYS 45 2HE LYS 45 1.347 13.082 6.455 340 1HZ LYS 45 1HZ LYS 45 3.573 12.452 8.294 341 2HZ LYS 45 2HZ LYS 45 2.400 11.404 7.654 342 3HZ LYS 45 3HZ LYS 45 1.974 12.527 8.855 343 H CYS 46 H CYS 46 3.502 8.337 2.697 344 HA CYS 46 HA CYS 46 3.220 9.008 0.013 345 1HB CYS 46 1HB CYS 46 1.591 7.097 1.713 346 2HB CYS 46 2HB CYS 46 1.729 7.018 -0.039 347 H ALA 47 H ALA 47 0.761 9.256 2.567 348 HA ALA 47 HA ALA 47 -1.125 10.537 0.648 349 1HB ALA 47 1HB ALA 47 -2.271 8.925 1.828 350 2HB ALA 47 2HB ALA 47 -2.507 10.285 2.925 351 3HB ALA 47 3HB ALA 47 -1.246 9.098 3.253 352 H THR 48 H THR 48 0.952 12.233 1.184 353 HA THR 48 HA THR 48 0.971 13.886 3.413 354 HB THR 48 HB THR 48 1.057 15.210 0.759 355 HG1 THR 48 1HG THR 48 3.114 13.419 1.297 356 1HG2 THR 48 1HG2 THR 48 2.409 15.270 3.339 357 2HG2 THR 48 2HG2 THR 48 2.325 16.513 2.090 358 3HG2 THR 48 3HG2 THR 48 3.554 15.253 1.997 359 H ALA 49 H ALA 49 0.171 16.376 3.014 360 HA ALA 49 HA ALA 49 -2.697 16.319 3.384 361 1HB ALA 49 1HB ALA 49 -2.396 18.690 3.734 362 2HB ALA 49 2HB ALA 49 -0.881 18.683 2.831 363 3HB ALA 49 3HB ALA 49 -0.975 17.884 4.400 364 H GLY 50 H GLY 50 -0.645 16.710 0.604 365 1HA GLY 50 1HA GLY 50 -3.074 17.205 -1.057 366 2HA GLY 50 2HA GLY 50 -1.631 18.188 -1.315 367 H CYS 51 H CYS 51 -1.660 14.766 -0.487 368 HA CYS 51 HA CYS 51 -0.526 14.164 -3.195 369 1HB CYS 51 1HB CYS 51 0.751 14.245 -0.766 370 2HB CYS 51 2HB CYS 51 0.365 12.553 -0.884 371 H HIS 52 H HIS 52 -0.474 11.353 -1.504 372 HA HIS 52 HA HIS 52 -2.873 10.318 -2.818 373 1HB HIS 52 1HB HIS 52 -0.830 9.188 -0.894 374 2HB HIS 52 2HB HIS 52 -2.123 8.228 -1.575 375 HD1 HIS 52 HD1 HIS 52 -2.196 8.683 -4.369 376 HD2 HIS 52 HD2 HIS 52 1.453 8.844 -2.396 377 HE1 HIS 52 HE1 HIS 52 -0.416 8.299 -6.139 378 H ASP 53 H ASP 53 -3.903 12.257 -1.276 379 HA ASP 53 HA ASP 53 -4.771 10.976 1.286 380 1HB ASP 53 1HB ASP 53 -5.256 13.311 1.948 381 2HB ASP 53 2HB ASP 53 -3.586 13.137 1.408 382 H ASN 54 H ASN 54 -5.958 10.626 -1.576 383 HA ASN 54 HA ASN 54 -8.579 11.929 -1.378 384 1HB ASN 54 1HB ASN 54 -6.988 10.709 -3.341 385 2HB ASN 54 2HB ASN 54 -8.380 9.646 -3.178 386 1HD2 ASN 54 2HD2 ASN 54 -10.000 10.228 -4.607 387 2HD2 ASN 54 1HD2 ASN 54 -10.383 11.818 -5.065 388 H MET 55 H MET 55 -9.830 11.203 0.327 389 HA MET 55 HA MET 55 -9.727 8.439 1.264 390 1HB MET 55 1HB MET 55 -11.068 11.014 1.939 391 2HB MET 55 2HB MET 55 -11.845 9.538 2.516 392 1HG MET 55 1HG MET 55 -10.370 9.528 4.218 393 2HG MET 55 2HG MET 55 -9.112 9.168 3.035 394 1HE MET 55 1HE MET 55 -7.260 10.043 3.296 395 2HE MET 55 2HE MET 55 -7.324 10.675 4.939 396 3HE MET 55 3HE MET 55 -6.754 11.705 3.629 397 H ASP 56 H ASP 56 -10.782 9.209 -1.571 398 HA ASP 56 HA ASP 56 -13.600 8.423 -1.506 399 1HB ASP 56 1HB ASP 56 -11.890 9.775 -3.215 400 2HB ASP 56 2HB ASP 56 -12.115 8.231 -4.038 401 H LYS 57 H LYS 57 -10.540 6.817 -1.600 402 HA LYS 57 HA LYS 57 -9.987 4.524 -1.764 403 1HB LYS 57 1HB LYS 57 -12.969 4.282 -1.269 404 2HB LYS 57 2HB LYS 57 -11.760 3.037 -0.958 405 1HG LYS 57 1HG LYS 57 -10.742 4.328 0.777 406 2HG LYS 57 2HG LYS 57 -11.644 5.774 0.322 407 1HD LYS 57 1HD LYS 57 -12.800 3.224 1.489 408 2HD LYS 57 2HD LYS 57 -12.670 4.786 2.301 409 1HE LYS 57 1HE LYS 57 -14.032 5.596 0.132 410 2HE LYS 57 2HE LYS 57 -14.589 3.911 0.187 411 1HZ LYS 57 1HZ LYS 57 -15.013 4.227 2.587 412 2HZ LYS 57 2HZ LYS 57 -15.988 5.218 1.611 413 3HZ LYS 57 3HZ LYS 57 -14.643 5.874 2.418 414 H LYS 58 H LYS 58 -11.369 6.153 -4.104 415 HA LYS 58 HA LYS 58 -11.698 3.764 -5.881 416 1HB LYS 58 1HB LYS 58 -13.674 4.752 -6.810 417 2HB LYS 58 2HB LYS 58 -13.847 4.879 -5.059 418 1HG LYS 58 1HG LYS 58 -14.205 7.085 -5.403 419 2HG LYS 58 2HG LYS 58 -12.472 7.193 -5.724 420 1HD LYS 58 1HD LYS 58 -12.789 7.497 -7.947 421 2HD LYS 58 2HD LYS 58 -14.025 6.241 -8.028 422 1HE LYS 58 1HE LYS 58 -15.713 7.787 -7.157 423 2HE LYS 58 2HE LYS 58 -14.482 9.050 -6.957 424 1HZ LYS 58 1HZ LYS 58 -14.624 7.738 -9.558 425 2HZ LYS 58 2HZ LYS 58 -14.291 9.361 -9.178 426 3HZ LYS 58 3HZ LYS 58 -15.894 8.799 -9.179 427 H ASP 59 H ASP 59 -10.559 7.041 -5.427 428 HA ASP 59 HA ASP 59 -10.143 7.979 -8.025 429 1HB ASP 59 1HB ASP 59 -9.585 9.345 -6.166 430 2HB ASP 59 2HB ASP 59 -8.536 8.108 -5.470 431 H LYS 60 H LYS 60 -9.363 6.719 -9.689 432 HA LYS 60 HA LYS 60 -7.236 4.722 -9.189 433 1HB LYS 60 1HB LYS 60 -9.401 5.195 -11.037 434 2HB LYS 60 2HB LYS 60 -7.902 4.962 -11.938 435 1HG LYS 60 1HG LYS 60 -8.679 3.109 -9.687 436 2HG LYS 60 2HG LYS 60 -9.262 2.849 -11.332 437 1HD LYS 60 1HD LYS 60 -6.405 3.403 -11.289 438 2HD LYS 60 2HD LYS 60 -6.810 2.002 -10.297 439 1HE LYS 60 1HE LYS 60 -8.319 1.903 -12.762 440 2HE LYS 60 2HE LYS 60 -6.587 2.063 -13.114 441 1HZ LYS 60 1HZ LYS 60 -7.180 -0.257 -12.741 442 2HZ LYS 60 2HZ LYS 60 -7.796 0.129 -11.206 443 3HZ LYS 60 3HZ LYS 60 -6.136 0.297 -11.524 444 H SER 61 H SER 61 -6.998 7.884 -9.349 445 HA SER 61 HA SER 61 -5.018 8.131 -11.542 446 1HB SER 61 1HB SER 61 -6.882 9.789 -10.165 447 2HB SER 61 2HB SER 61 -5.277 10.453 -9.871 448 HG SER 61 HG SER 61 -6.365 11.160 -11.847 449 H ALA 62 H ALA 62 -3.221 9.921 -10.485 450 HA ALA 62 HA ALA 62 -1.636 8.202 -8.672 451 1HB ALA 62 1HB ALA 62 -0.467 10.755 -9.369 452 2HB ALA 62 2HB ALA 62 -1.186 10.013 -10.798 453 3HB ALA 62 3HB ALA 62 0.034 9.141 -9.871 454 H LYS 63 H LYS 63 -4.087 9.815 -7.753 455 HA LYS 63 HA LYS 63 -2.693 11.342 -5.575 456 1HB LYS 63 1HB LYS 63 -4.134 12.417 -7.625 457 2HB LYS 63 2HB LYS 63 -5.407 12.171 -6.428 458 1HG LYS 63 1HG LYS 63 -2.908 13.322 -5.353 459 2HG LYS 63 2HG LYS 63 -3.771 14.360 -6.487 460 1HD LYS 63 1HD LYS 63 -5.708 13.182 -4.758 461 2HD LYS 63 2HD LYS 63 -4.408 13.820 -3.749 462 1HE LYS 63 1HE LYS 63 -4.965 15.977 -4.221 463 2HE LYS 63 2HE LYS 63 -5.189 15.626 -5.947 464 1HZ LYS 63 1HZ LYS 63 -7.298 16.152 -4.822 465 2HZ LYS 63 2HZ LYS 63 -7.072 14.819 -3.793 466 3HZ LYS 63 3HZ LYS 63 -7.286 14.581 -5.461 467 H GLY 64 H GLY 64 -4.911 8.873 -6.396 468 1HA GLY 64 1HA GLY 64 -6.501 9.112 -3.938 469 2HA GLY 64 2HA GLY 64 -6.662 7.849 -5.149 470 H TYR 65 H TYR 65 -5.912 8.234 -2.042 471 HA TYR 65 HA TYR 65 -3.466 6.923 -1.531 472 1HB TYR 65 1HB TYR 65 -5.413 8.013 -0.066 473 2HB TYR 65 2HB TYR 65 -5.937 6.337 0.069 474 HD1 TYR 65 HD1 TYR 65 -5.500 6.465 2.519 475 HD2 TYR 65 HD2 TYR 65 -2.365 6.961 -0.374 476 HE1 TYR 65 HE1 TYR 65 -3.805 6.072 4.284 477 HE2 TYR 65 HE2 TYR 65 -0.674 6.569 1.389 478 HH TYR 65 HH TYR 65 -0.449 6.672 3.763 479 H TYR 66 H TYR 66 -6.719 5.461 -1.664 480 HA TYR 66 HA TYR 66 -6.183 2.763 -1.433 481 1HB TYR 66 1HB TYR 66 -8.272 4.371 -2.107 482 2HB TYR 66 2HB TYR 66 -7.983 3.564 -3.645 483 HD1 TYR 66 HD1 TYR 66 -7.868 1.006 -3.672 484 HD2 TYR 66 HD2 TYR 66 -9.368 3.268 -0.346 485 HE1 TYR 66 HE1 TYR 66 -9.038 -1.012 -2.831 486 HE2 TYR 66 HE2 TYR 66 -10.537 1.250 0.497 487 HH TYR 66 HH TYR 66 -10.982 -1.536 -1.382 488 H HIS 67 H HIS 67 -6.534 4.283 -4.638 489 HA HIS 67 HA HIS 67 -5.683 2.320 -6.317 490 1HB HIS 67 1HB HIS 67 -6.335 4.441 -7.163 491 2HB HIS 67 2HB HIS 67 -5.065 5.272 -6.265 492 HD1 HIS 67 HD1 HIS 67 -5.410 2.710 -9.053 493 HD2 HIS 67 HD2 HIS 67 -2.708 5.574 -7.695 494 HE1 HIS 67 HE1 HIS 67 -3.499 2.726 -10.706 495 H ALA 68 H ALA 68 -3.215 4.762 -5.654 496 HA ALA 68 HA ALA 68 -0.953 3.369 -6.333 497 1HB ALA 68 1HB ALA 68 0.216 4.949 -4.966 498 2HB ALA 68 2HB ALA 68 -1.137 5.082 -3.843 499 3HB ALA 68 3HB ALA 68 -1.270 5.754 -5.469 500 H MET 69 H MET 69 -2.871 2.773 -3.437 501 HA MET 69 HA MET 69 -0.727 1.154 -2.206 502 1HB MET 69 1HB MET 69 -3.566 1.848 -1.436 503 2HB MET 69 2HB MET 69 -2.438 0.973 -0.403 504 1HG MET 69 1HG MET 69 -1.214 3.367 -1.485 505 2HG MET 69 2HG MET 69 -2.688 3.757 -0.598 506 1HE MET 69 1HE MET 69 1.254 3.363 0.347 507 2HE MET 69 2HE MET 69 0.451 4.615 1.292 508 3HE MET 69 3HE MET 69 0.120 4.475 -0.433 509 H HIS 70 H HIS 70 -3.883 0.590 -3.773 510 HA HIS 70 HA HIS 70 -3.469 -2.330 -3.342 511 1HB HIS 70 1HB HIS 70 -5.884 -0.780 -4.323 512 2HB HIS 70 2HB HIS 70 -5.864 -2.456 -3.771 513 HD1 HIS 70 HD1 HIS 70 -6.131 1.015 -2.570 514 HD2 HIS 70 HD2 HIS 70 -5.280 -2.705 -0.900 515 HE1 HIS 70 HE1 HIS 70 -6.354 1.291 -0.061 516 H ASP 71 H ASP 71 -3.255 0.096 -5.788 517 HA ASP 71 HA ASP 71 -3.815 -1.688 -8.046 518 1HB ASP 71 1HB ASP 71 -2.793 1.119 -7.634 519 2HB ASP 71 2HB ASP 71 -2.839 0.398 -9.241 520 H LYS 72 H LYS 72 -2.207 -2.388 -9.580 521 HA LYS 72 HA LYS 72 0.530 -2.669 -8.405 522 1HB LYS 72 1HB LYS 72 -0.225 -4.826 -8.700 523 2HB LYS 72 2HB LYS 72 -1.346 -4.361 -9.979 524 1HG LYS 72 1HG LYS 72 0.391 -4.284 -11.610 525 2HG LYS 72 2HG LYS 72 1.651 -4.360 -10.378 526 1HD LYS 72 1HD LYS 72 0.677 -6.638 -9.730 527 2HD LYS 72 2HD LYS 72 -0.248 -6.554 -11.229 528 1HE LYS 72 1HE LYS 72 2.308 -5.889 -12.069 529 2HE LYS 72 2HE LYS 72 2.602 -7.140 -10.845 530 1HZ LYS 72 1HZ LYS 72 2.074 -8.480 -12.587 531 2HZ LYS 72 2HZ LYS 72 1.106 -7.310 -13.351 532 3HZ LYS 72 3HZ LYS 72 0.501 -8.186 -12.026 533 H GLY 73 H GLY 73 -1.083 -2.424 -11.587 534 1HA GLY 73 1HA GLY 73 1.320 -1.581 -12.956 535 2HA GLY 73 2HA GLY 73 -0.319 -1.478 -13.604 536 H THR 74 H THR 74 1.496 0.043 -10.920 537 HA THR 74 HA THR 74 0.162 2.633 -11.570 538 HB THR 74 HB THR 74 1.212 3.152 -9.260 539 HG1 THR 74 1HG THR 74 2.562 1.128 -9.641 540 1HG2 THR 74 1HG2 THR 74 -0.512 1.640 -8.107 541 2HG2 THR 74 2HG2 THR 74 -0.894 1.037 -9.721 542 3HG2 THR 74 3HG2 THR 74 -1.127 2.743 -9.338 543 H LYS 75 H LYS 75 1.548 4.600 -11.515 544 HA LYS 75 HA LYS 75 3.689 4.754 -13.224 545 1HB LYS 75 1HB LYS 75 2.436 6.506 -11.694 546 2HB LYS 75 2HB LYS 75 3.784 6.225 -10.595 547 1HG LYS 75 1HG LYS 75 4.214 8.143 -12.107 548 2HG LYS 75 2HG LYS 75 5.378 6.844 -12.349 549 1HD LYS 75 1HD LYS 75 3.200 6.273 -14.060 550 2HD LYS 75 2HD LYS 75 3.535 7.994 -14.248 551 1HE LYS 75 1HE LYS 75 5.593 5.766 -14.477 552 2HE LYS 75 2HE LYS 75 4.922 6.707 -15.824 553 1HZ LYS 75 1HZ LYS 75 6.681 8.035 -15.354 554 2HZ LYS 75 2HZ LYS 75 6.789 7.527 -13.736 555 3HZ LYS 75 3HZ LYS 75 5.617 8.668 -14.196 556 H PHE 76 H PHE 76 3.805 3.792 -9.815 557 HA PHE 76 HA PHE 76 6.570 2.713 -10.262 558 1HB PHE 76 1HB PHE 76 5.509 4.167 -7.822 559 2HB PHE 76 2HB PHE 76 7.148 3.566 -8.045 560 HD1 PHE 76 HD1 PHE 76 8.453 4.463 -10.115 561 HD2 PHE 76 HD2 PHE 76 4.910 6.301 -8.531 562 HE1 PHE 76 HE1 PHE 76 9.020 6.572 -11.290 563 HE2 PHE 76 HE2 PHE 76 5.476 8.408 -9.702 564 HZ PHE 76 HZ PHE 76 7.526 8.538 -11.079 565 H LYS 77 H LYS 77 7.093 1.178 -8.256 566 HA LYS 77 HA LYS 77 4.976 -0.806 -8.177 567 1HB LYS 77 1HB LYS 77 6.550 -1.955 -6.658 568 2HB LYS 77 2HB LYS 77 7.341 -1.412 -8.135 569 1HG LYS 77 1HG LYS 77 8.098 0.637 -6.892 570 2HG LYS 77 2HG LYS 77 7.442 -0.077 -5.418 571 1HD LYS 77 1HD LYS 77 9.893 -0.517 -5.708 572 2HD LYS 77 2HD LYS 77 8.932 -1.992 -5.631 573 1HE LYS 77 1HE LYS 77 9.002 -2.257 -8.037 574 2HE LYS 77 2HE LYS 77 9.783 -0.676 -8.231 575 1HZ LYS 77 1HZ LYS 77 11.616 -1.457 -6.853 576 2HZ LYS 77 2HZ LYS 77 11.430 -2.448 -8.220 577 3HZ LYS 77 3HZ LYS 77 10.880 -2.978 -6.703 578 H SER 78 H SER 78 3.239 -0.456 -7.031 579 HA SER 78 HA SER 78 3.056 1.364 -4.769 580 1HB SER 78 1HB SER 78 0.699 0.009 -4.892 581 2HB SER 78 2HB SER 78 1.104 1.356 -5.949 582 HG SER 78 HG SER 78 0.520 -1.036 -6.700 583 H CYS 79 H CYS 79 1.603 0.387 -2.848 584 HA CYS 79 HA CYS 79 3.246 -1.404 -1.334 585 1HB CYS 79 1HB CYS 79 0.302 -0.769 -0.995 586 2HB CYS 79 2HB CYS 79 1.433 -1.224 0.271 587 H VAL 80 H VAL 80 -0.137 -2.023 -2.307 588 HA VAL 80 HA VAL 80 0.105 -4.887 -2.111 589 HB VAL 80 HB VAL 80 -1.818 -3.010 -3.522 590 1HG1 VAL 80 1HG1 VAL 80 -2.313 -4.945 -4.675 591 2HG1 VAL 80 2HG1 VAL 80 -3.273 -5.237 -3.225 592 3HG1 VAL 80 3HG1 VAL 80 -1.688 -5.989 -3.399 593 1HG2 VAL 80 1HG2 VAL 80 -2.526 -4.679 -1.144 594 2HG2 VAL 80 2HG2 VAL 80 -3.066 -3.057 -1.577 595 3HG2 VAL 80 3HG2 VAL 80 -1.466 -3.295 -0.875 596 H GLY 81 H GLY 81 0.844 -2.565 -4.610 597 1HA GLY 81 1HA GLY 81 0.887 -4.464 -6.814 598 2HA GLY 81 2HA GLY 81 1.569 -2.835 -6.839 599 H CYS 82 H CYS 82 3.316 -3.043 -4.635 600 HA CYS 82 HA CYS 82 5.533 -4.543 -5.842 601 1HB CYS 82 1HB CYS 82 5.525 -2.259 -4.587 602 2HB CYS 82 2HB CYS 82 5.449 -3.227 -3.118 603 H HIS 83 H HIS 83 3.123 -4.971 -3.414 604 HA HIS 83 HA HIS 83 4.447 -7.058 -1.893 605 1HB HIS 83 1HB HIS 83 1.775 -5.737 -2.115 606 2HB HIS 83 2HB HIS 83 1.850 -7.277 -1.275 607 HD1 HIS 83 HD1 HIS 83 1.436 -6.048 1.031 608 HD2 HIS 83 HD2 HIS 83 4.926 -4.898 -0.939 609 HE1 HIS 83 HE1 HIS 83 2.840 -4.812 2.731 610 H LEU 84 H LEU 84 1.616 -7.162 -4.135 611 HA LEU 84 HA LEU 84 1.388 -9.938 -4.398 612 1HB LEU 84 1HB LEU 84 0.409 -7.579 -5.548 613 2HB LEU 84 2HB LEU 84 1.080 -8.485 -6.900 614 HG LEU 84 HG LEU 84 -0.669 -9.834 -4.865 615 1HD1 LEU 84 1HD1 LEU 84 -1.666 -7.689 -6.059 616 2HD1 LEU 84 2HD1 LEU 84 -2.630 -9.158 -5.904 617 3HD1 LEU 84 3HD1 LEU 84 -1.819 -8.791 -7.427 618 1HD2 LEU 84 1HD2 LEU 84 -1.194 -11.013 -7.222 619 2HD2 LEU 84 2HD2 LEU 84 0.183 -11.487 -6.229 620 3HD2 LEU 84 3HD2 LEU 84 0.413 -10.389 -7.591 621 H GLU 85 H GLU 85 3.739 -7.723 -5.811 622 HA GLU 85 HA GLU 85 4.870 -9.758 -7.615 623 1HB GLU 85 1HB GLU 85 4.885 -6.907 -7.247 624 2HB GLU 85 2HB GLU 85 6.553 -7.481 -7.271 625 1HG GLU 85 1HG GLU 85 4.606 -8.494 -9.324 626 2HG GLU 85 2HG GLU 85 5.355 -6.911 -9.538 627 H THR 86 H THR 86 5.938 -7.964 -4.700 628 HA THR 86 HA THR 86 8.442 -9.303 -4.374 629 HB THR 86 HB THR 86 6.511 -7.788 -2.628 630 HG1 THR 86 1HG THR 86 8.230 -6.995 -4.204 631 1HG2 THR 86 1HG2 THR 86 8.012 -7.980 -0.727 632 2HG2 THR 86 2HG2 THR 86 9.121 -8.985 -1.661 633 3HG2 THR 86 3HG2 THR 86 7.526 -9.600 -1.229 634 H ALA 87 H ALA 87 5.240 -10.443 -4.024 635 HA ALA 87 HA ALA 87 5.795 -12.455 -1.966 636 1HB ALA 87 1HB ALA 87 3.451 -13.000 -3.515 637 2HB ALA 87 2HB ALA 87 3.566 -11.253 -3.305 638 3HB ALA 87 3HB ALA 87 3.540 -12.310 -1.894 639 H GLY 88 H GLY 88 5.566 -12.326 -5.495 640 1HA GLY 88 1HA GLY 88 6.226 -13.870 -7.132 641 2HA GLY 88 2HA GLY 88 7.286 -14.559 -5.904 642 H ALA 89 H ALA 89 3.827 -14.496 -6.817 643 HA ALA 89 HA ALA 89 2.159 -16.157 -6.429 644 1HB ALA 89 1HB ALA 89 4.528 -17.162 -7.871 645 2HB ALA 89 2HB ALA 89 2.830 -17.188 -8.346 646 3HB ALA 89 3HB ALA 89 3.458 -18.417 -7.250 647 H ASP 90 H ASP 90 2.961 -15.674 -3.975 648 HA ASP 90 HA ASP 90 3.530 -18.340 -2.762 649 1HB ASP 90 1HB ASP 90 5.489 -16.881 -2.718 650 2HB ASP 90 2HB ASP 90 4.541 -15.586 -2.001 651 H ALA 91 H ALA 91 1.234 -18.536 -2.488 652 HA ALA 91 HA ALA 91 -0.701 -16.877 -1.516 653 1HB ALA 91 1HB ALA 91 0.038 -19.726 -0.929 654 2HB ALA 91 2HB ALA 91 -1.328 -19.101 -1.851 655 3HB ALA 91 3HB ALA 91 -1.339 -19.013 -0.090 656 H ALA 92 H ALA 92 2.063 -18.057 0.325 657 HA ALA 92 HA ALA 92 1.094 -17.142 2.917 658 1HB ALA 92 1HB ALA 92 4.003 -17.357 2.405 659 2HB ALA 92 2HB ALA 92 3.076 -18.796 1.982 660 3HB ALA 92 3HB ALA 92 3.022 -18.165 3.628 661 H LYS 93 H LYS 93 3.405 -15.925 0.509 662 HA LYS 93 HA LYS 93 3.846 -13.400 1.889 663 1HB LYS 93 1HB LYS 93 4.616 -14.810 -0.609 664 2HB LYS 93 2HB LYS 93 4.716 -13.054 -0.662 665 1HG LYS 93 1HG LYS 93 6.195 -13.015 1.244 666 2HG LYS 93 2HG LYS 93 5.935 -14.737 1.536 667 1HD LYS 93 1HD LYS 93 6.838 -15.025 -0.904 668 2HD LYS 93 2HD LYS 93 7.511 -13.413 -0.657 669 1HE LYS 93 1HE LYS 93 8.971 -14.130 1.015 670 2HE LYS 93 2HE LYS 93 7.946 -15.510 1.456 671 1HZ LYS 93 1HZ LYS 93 8.656 -16.734 -0.311 672 2HZ LYS 93 2HZ LYS 93 10.065 -15.821 -0.055 673 3HZ LYS 93 3HZ LYS 93 8.975 -15.379 -1.280 674 H LYS 94 H LYS 94 1.599 -14.650 -0.491 675 HA LYS 94 HA LYS 94 0.701 -12.073 -1.501 676 1HB LYS 94 1HB LYS 94 0.136 -14.934 -1.784 677 2HB LYS 94 2HB LYS 94 -1.326 -13.949 -1.867 678 1HG LYS 94 1HG LYS 94 0.381 -12.476 -3.412 679 2HG LYS 94 2HG LYS 94 0.945 -14.113 -3.753 680 1HD LYS 94 1HD LYS 94 -1.907 -14.167 -3.752 681 2HD LYS 94 2HD LYS 94 -1.398 -12.807 -4.752 682 1HE LYS 94 1HE LYS 94 -1.277 -14.505 -6.336 683 2HE LYS 94 2HE LYS 94 0.354 -14.645 -5.651 684 1HZ LYS 94 1HZ LYS 94 -0.421 -16.776 -5.372 685 2HZ LYS 94 2HZ LYS 94 -2.028 -16.285 -5.119 686 3HZ LYS 94 3HZ LYS 94 -0.873 -16.088 -3.888 687 H LYS 95 H LYS 95 -0.136 -14.152 1.207 688 HA LYS 95 HA LYS 95 -2.604 -12.686 1.854 689 1HB LYS 95 1HB LYS 95 -2.834 -14.364 3.502 690 2HB LYS 95 2HB LYS 95 -1.945 -15.189 2.221 691 1HG LYS 95 1HG LYS 95 -0.467 -15.720 3.859 692 2HG LYS 95 2HG LYS 95 0.092 -14.057 3.676 693 1HD LYS 95 1HD LYS 95 -1.756 -13.440 5.365 694 2HD LYS 95 2HD LYS 95 -1.833 -15.167 5.718 695 1HE LYS 95 1HE LYS 95 0.902 -14.623 5.759 696 2HE LYS 95 2HE LYS 95 0.173 -13.213 6.554 697 1HZ LYS 95 1HZ LYS 95 0.064 -16.034 7.319 698 2HZ LYS 95 2HZ LYS 95 -1.325 -15.098 7.595 699 3HZ LYS 95 3HZ LYS 95 0.156 -14.653 8.299 700 H GLU 96 H GLU 96 0.783 -12.534 2.609 701 HA GLU 96 HA GLU 96 0.374 -10.805 4.986 702 1HB GLU 96 1HB GLU 96 2.763 -11.127 5.231 703 2HB GLU 96 2HB GLU 96 2.065 -12.677 4.796 704 1HG GLU 96 1HG GLU 96 2.718 -12.355 2.486 705 2HG GLU 96 2HG GLU 96 3.327 -10.742 2.855 706 H LEU 97 H LEU 97 1.831 -10.699 1.766 707 HA LEU 97 HA LEU 97 2.464 -7.851 1.893 708 1HB LEU 97 1HB LEU 97 2.348 -9.826 -0.397 709 2HB LEU 97 2HB LEU 97 3.177 -8.268 -0.416 710 HG LEU 97 HG LEU 97 3.855 -10.724 1.199 711 1HD1 LEU 97 1HD1 LEU 97 6.163 -9.732 0.235 712 2HD1 LEU 97 2HD1 LEU 97 5.048 -9.111 -0.983 713 3HD1 LEU 97 3HD1 LEU 97 5.144 -10.845 -0.678 714 1HD2 LEU 97 1HD2 LEU 97 5.591 -9.219 2.294 715 2HD2 LEU 97 2HD2 LEU 97 3.929 -8.938 2.814 716 3HD2 LEU 97 3HD2 LEU 97 4.687 -7.845 1.655 717 H THR 98 H THR 98 0.327 -9.649 -0.348 718 HA THR 98 HA THR 98 -1.195 -7.164 -0.836 719 HB THR 98 HB THR 98 -2.328 -8.698 -2.509 720 HG1 THR 98 1HG THR 98 -1.932 -10.639 -1.420 721 1HG2 THR 98 1HG2 THR 98 -0.674 -8.195 -3.986 722 2HG2 THR 98 2HG2 THR 98 0.548 -9.057 -3.050 723 3HG2 THR 98 3HG2 THR 98 0.092 -7.412 -2.606 724 H GLY 99 H GLY 99 -1.534 -10.110 0.987 725 1HA GLY 99 1HA GLY 99 -4.281 -10.455 1.177 726 2HA GLY 99 2HA GLY 99 -3.200 -10.657 2.560 727 H CYS 100 H CYS 100 -5.916 -9.128 1.790 728 HA CYS 100 HA CYS 100 -5.325 -6.432 2.734 729 1HB CYS 100 1HB CYS 100 -8.085 -7.401 2.937 730 2HB CYS 100 2HB CYS 100 -7.464 -6.020 2.074 731 H LYS 101 H LYS 101 -7.458 -8.953 4.061 732 HA LYS 101 HA LYS 101 -6.969 -7.826 6.766 733 1HB LYS 101 1HB LYS 101 -8.926 -9.928 5.775 734 2HB LYS 101 2HB LYS 101 -8.969 -9.126 7.346 735 1HG LYS 101 1HG LYS 101 -9.632 -7.081 6.435 736 2HG LYS 101 2HG LYS 101 -8.996 -7.474 4.837 737 1HD LYS 101 1HD LYS 101 -10.995 -8.284 4.204 738 2HD LYS 101 2HD LYS 101 -10.992 -9.414 5.558 739 1HE LYS 101 1HE LYS 101 -11.812 -7.535 7.036 740 2HE LYS 101 2HE LYS 101 -12.004 -6.551 5.571 741 1HZ LYS 101 1HZ LYS 101 -13.251 -9.197 6.098 742 2HZ LYS 101 2HZ LYS 101 -13.345 -8.364 4.620 743 3HZ LYS 101 3HZ LYS 101 -14.055 -7.706 6.016 744 H GLY 102 H GLY 102 -5.398 -8.800 7.982 745 1HA GLY 102 1HA GLY 102 -4.612 -10.790 9.167 746 2HA GLY 102 2HA GLY 102 -5.088 -11.758 7.773 747 H SER 103 H SER 103 -3.774 -9.201 6.317 748 HA SER 103 HA SER 103 -1.233 -10.571 5.818 749 1HB SER 103 1HB SER 103 -0.986 -8.756 4.178 750 2HB SER 103 2HB SER 103 -2.600 -9.442 4.075 751 HG SER 103 HG SER 103 -2.525 -7.108 4.151 752 H LYS 104 H LYS 104 0.324 -8.202 5.389 753 HA LYS 104 HA LYS 104 1.094 -7.561 8.195 754 1HB LYS 104 1HB LYS 104 2.481 -7.105 5.538 755 2HB LYS 104 2HB LYS 104 3.217 -7.021 7.137 756 1HG LYS 104 1HG LYS 104 1.837 -9.562 6.607 757 2HG LYS 104 2HG LYS 104 3.211 -9.262 5.542 758 1HD LYS 104 1HD LYS 104 4.633 -8.816 7.524 759 2HD LYS 104 2HD LYS 104 3.259 -9.169 8.574 760 1HE LYS 104 1HE LYS 104 3.130 -11.462 7.573 761 2HE LYS 104 2HE LYS 104 4.603 -11.100 6.652 762 1HZ LYS 104 1HZ LYS 104 5.406 -12.038 8.612 763 2HZ LYS 104 2HZ LYS 104 4.254 -11.253 9.584 764 3HZ LYS 104 3HZ LYS 104 5.537 -10.372 8.901 765 H CYS 105 H CYS 105 -0.127 -6.238 5.234 766 HA CYS 105 HA CYS 105 0.443 -3.443 5.824 767 1HB CYS 105 1HB CYS 105 -0.032 -4.916 3.622 768 2HB CYS 105 2HB CYS 105 -1.658 -4.340 3.915 769 H HIS 106 H HIS 106 -2.154 -5.693 6.525 770 HA HIS 106 HA HIS 106 -3.747 -3.428 7.694 771 1HB HIS 106 1HB HIS 106 -4.426 -5.797 6.014 772 2HB HIS 106 2HB HIS 106 -5.611 -5.301 7.222 773 HD1 HIS 106 HD1 HIS 106 -5.087 -2.233 7.073 774 HD2 HIS 106 HD2 HIS 106 -5.686 -4.684 3.737 775 HE1 HIS 106 HE1 HIS 106 -5.770 -0.702 5.181 776 H SER 107 H SER 107 -2.329 -4.006 9.647 777 HA SER 107 HA SER 107 -3.131 -6.543 10.989 778 1HB SER 107 1HB SER 107 -0.786 -6.184 10.961 779 2HB SER 107 2HB SER 107 -0.962 -4.471 11.333 780 HG SER 107 HG SER 107 -0.336 -5.649 13.172 781 HHA HEC 201 HHA HEC 201 6.035 8.581 5.548 782 HHB HEC 201 HHB HEC 201 12.156 9.876 4.798 783 HHC HEC 201 HHC HEC 201 12.732 4.760 1.045 784 HHD HEC 201 HHD HEC 201 6.664 3.562 1.785 785 1HMA HEC 201 1HMA HEC 201 11.280 10.613 7.073 786 2HMA HEC 201 2HMA HEC 201 9.735 10.746 7.919 787 3HMA HEC 201 3HMA HEC 201 10.155 11.906 6.656 788 1HAA HEC 201 1HAA HEC 201 6.526 9.605 7.194 789 2HAA HEC 201 2HAA HEC 201 7.768 10.683 7.825 790 1HBA HEC 201 1HBA HEC 201 6.747 11.475 5.190 791 2HBA HEC 201 2HBA HEC 201 5.524 11.495 6.461 792 1HMB HEC 201 1HMB HEC 201 14.168 9.604 4.563 793 2HMB HEC 201 2HMB HEC 201 15.370 8.402 4.095 794 3HMB HEC 201 3HMB HEC 201 14.816 9.598 2.923 795 HAB HEC 201 HAB HEC 201 14.570 5.733 1.097 796 1HBB HEC 201 1HBB HEC 201 16.808 5.865 2.355 797 2HBB HEC 201 2HBB HEC 201 15.531 4.913 3.113 798 3HBB HEC 201 3HBB HEC 201 15.883 6.540 3.696 799 1HMC HEC 201 1HMC HEC 201 12.434 3.206 -0.099 800 2HMC HEC 201 2HMC HEC 201 11.694 1.720 0.497 801 3HMC HEC 201 3HMC HEC 201 11.110 2.458 -0.995 802 HAC HEC 201 HAC HEC 201 7.376 2.186 0.577 803 1HBC HEC 201 1HBC HEC 201 10.003 0.802 -0.026 804 2HBC HEC 201 2HBC HEC 201 8.411 0.102 -0.325 805 3HBC HEC 201 3HBC HEC 201 8.922 0.458 1.324 806 1HMD HEC 201 1HMD HEC 201 4.264 3.669 4.117 807 2HMD HEC 201 2HMD HEC 201 3.582 4.581 2.770 808 3HMD HEC 201 3HMD HEC 201 4.918 3.464 2.493 809 1HAD HEC 201 1HAD HEC 201 4.357 7.672 5.597 810 2HAD HEC 201 2HAD HEC 201 3.345 7.200 4.238 811 1HBD HEC 201 1HBD HEC 201 4.264 5.084 6.149 812 2HBD HEC 201 2HBD HEC 201 2.951 6.155 6.636 813 HHA HEC 202 HHA HEC 202 1.548 7.650 -9.468 814 HHB HEC 202 HHB HEC 202 2.838 4.057 -4.830 815 HHC HEC 202 HHC HEC 202 4.568 8.874 -1.212 816 HHD HEC 202 HHD HEC 202 2.789 12.861 -5.686 817 1HMA HEC 202 1HMA HEC 202 2.099 2.792 -7.210 818 2HMA HEC 202 2HMA HEC 202 0.420 3.215 -7.548 819 3HMA HEC 202 3HMA HEC 202 1.001 3.180 -5.884 820 1HAA HEC 202 1HAA HEC 202 1.071 5.208 -9.997 821 2HAA HEC 202 2HAA HEC 202 -0.039 4.389 -8.941 822 1HBA HEC 202 1HBA HEC 202 -1.403 6.339 -8.711 823 2HBA HEC 202 2HBA HEC 202 -0.211 7.342 -9.529 824 1HMB HEC 202 1HMB HEC 202 2.902 3.550 -1.952 825 2HMB HEC 202 2HMB HEC 202 4.035 3.225 -3.265 826 3HMB HEC 202 3HMB HEC 202 4.641 3.627 -1.657 827 HAB HEC 202 HAB HEC 202 4.174 6.790 0.121 828 1HBB HEC 202 1HBB HEC 202 6.416 6.812 0.359 829 2HBB HEC 202 2HBB HEC 202 6.597 6.282 -1.315 830 3HBB HEC 202 3HBB HEC 202 6.462 5.090 -0.023 831 1HMC HEC 202 1HMC HEC 202 5.587 12.492 -1.382 832 2HMC HEC 202 2HMC HEC 202 4.116 12.055 -0.511 833 3HMC HEC 202 3HMC HEC 202 5.383 10.853 -0.762 834 HAC HEC 202 HAC HEC 202 2.362 13.751 -3.451 835 1HBC HEC 202 1HBC HEC 202 3.628 15.330 -2.229 836 2HBC HEC 202 2HBC HEC 202 5.136 14.455 -2.493 837 3HBC HEC 202 3HBC HEC 202 3.927 13.812 -1.382 838 1HMD HEC 202 1HMD HEC 202 1.136 13.381 -8.219 839 2HMD HEC 202 2HMD HEC 202 2.013 12.957 -9.689 840 3HMD HEC 202 3HMD HEC 202 2.896 13.487 -8.256 841 1HAD HEC 202 1HAD HEC 202 1.911 9.243 -10.708 842 2HAD HEC 202 2HAD HEC 202 1.205 10.846 -10.859 843 1HBD HEC 202 1HBD HEC 202 3.662 11.659 -10.403 844 2HBD HEC 202 2HBD HEC 202 4.087 10.032 -10.931 845 HHA HEC 203 HHA HEC 203 7.184 -6.876 4.544 846 HHB HEC 203 HHB HEC 203 2.812 -2.087 4.885 847 HHC HEC 203 HHC HEC 203 4.657 0.043 -0.485 848 HHD HEC 203 HHD HEC 203 9.057 -4.432 -0.959 849 1HMA HEC 203 1HMA HEC 203 2.328 -3.950 6.548 850 2HMA HEC 203 2HMA HEC 203 3.632 -3.475 7.635 851 3HMA HEC 203 3HMA HEC 203 3.197 -5.176 7.473 852 1HAA HEC 203 1HAA HEC 203 4.908 -6.143 7.667 853 2HAA HEC 203 2HAA HEC 203 4.892 -7.351 6.392 854 1HBA HEC 203 1HBA HEC 203 7.200 -7.493 6.305 855 2HBA HEC 203 2HBA HEC 203 7.427 -5.836 6.866 856 1HMB HEC 203 1HMB HEC 203 2.258 -0.111 5.040 857 2HMB HEC 203 2HMB HEC 203 1.902 1.147 3.857 858 3HMB HEC 203 3HMB HEC 203 1.016 -0.377 3.817 859 HAB HEC 203 HAB HEC 203 3.034 1.049 0.115 860 1HBB HEC 203 1HBB HEC 203 2.048 2.937 1.963 861 2HBB HEC 203 2HBB HEC 203 3.571 3.029 1.075 862 3HBB HEC 203 3HBB HEC 203 3.526 2.293 2.681 863 1HMC HEC 203 1HMC HEC 203 5.995 -0.735 -3.517 864 2HMC HEC 203 2HMC HEC 203 5.642 0.392 -2.207 865 3HMC HEC 203 3HMC HEC 203 7.289 0.239 -2.818 866 HAC HEC 203 HAC HEC 203 9.241 -3.322 -2.578 867 1HBC HEC 203 1HBC HEC 203 9.887 -1.562 -3.989 868 2HBC HEC 203 2HBC HEC 203 9.181 -0.692 -2.627 869 3HBC HEC 203 3HBC HEC 203 8.247 -0.925 -4.103 870 1HMD HEC 203 1HMD HEC 203 10.385 -5.940 -0.465 871 2HMD HEC 203 2HMD HEC 203 10.038 -7.606 -0.002 872 3HMD HEC 203 3HMD HEC 203 11.113 -6.621 0.990 873 1HAD HEC 203 1HAD HEC 203 10.308 -7.813 2.957 874 2HAD HEC 203 2HAD HEC 203 9.049 -7.683 4.177 875 1HBD HEC 203 1HBD HEC 203 8.080 -8.984 1.752 876 2HBD HEC 203 2HBD HEC 203 9.453 -9.837 2.460 877 HHA HEC 204 HHA HEC 204 -6.989 2.287 3.948 878 HHB HEC 204 HHB HEC 204 -10.131 -2.404 1.127 879 HHC HEC 204 HHC HEC 204 -4.810 -5.777 0.903 880 HHD HEC 204 HHD HEC 204 -1.564 -0.714 2.560 881 1HMA HEC 204 1HMA HEC 204 -11.603 0.889 1.918 882 2HMA HEC 204 2HMA HEC 204 -11.787 -0.387 3.124 883 3HMA HEC 204 3HMA HEC 204 -11.492 -0.805 1.436 884 1HAA HEC 204 1HAA HEC 204 -10.267 1.969 4.523 885 2HAA HEC 204 2HAA HEC 204 -8.770 2.784 4.088 886 1HBA HEC 204 1HBA HEC 204 -9.807 3.052 1.743 887 2HBA HEC 204 2HBA HEC 204 -11.329 2.615 2.513 888 1HMB HEC 204 1HMB HEC 204 -9.699 -4.889 -1.418 889 2HMB HEC 204 2HMB HEC 204 -10.524 -3.963 -0.165 890 3HMB HEC 204 3HMB HEC 204 -10.147 -5.665 0.100 891 HAB HEC 204 HAB HEC 204 -6.304 -6.914 0.320 892 1HBB HEC 204 1HBB HEC 204 -5.744 -6.298 -1.892 893 2HBB HEC 204 2HBB HEC 204 -7.415 -5.895 -2.293 894 3HBB HEC 204 3HBB HEC 204 -6.939 -7.581 -2.084 895 1HMC HEC 204 1HMC HEC 204 -2.698 -6.264 0.989 896 2HMC HEC 204 2HMC HEC 204 -1.206 -5.524 0.408 897 3HMC HEC 204 3HMC HEC 204 -1.437 -5.806 2.134 898 HAC HEC 204 HAC HEC 204 -0.217 -2.145 2.554 899 1HBC HEC 204 1HBC HEC 204 0.786 -3.492 0.121 900 2HBC HEC 204 2HBC HEC 204 0.197 -4.597 1.366 901 3HBC HEC 204 3HBC HEC 204 1.479 -3.445 1.743 902 1HMD HEC 204 1HMD HEC 204 -1.771 3.002 3.306 903 2HMD HEC 204 2HMD HEC 204 -1.518 1.823 4.592 904 3HMD HEC 204 3HMD HEC 204 -1.089 1.420 2.931 905 1HAD HEC 204 1HAD HEC 204 -4.001 4.098 3.671 906 2HAD HEC 204 2HAD HEC 204 -5.594 3.618 4.243 907 1HBD HEC 204 1HBD HEC 204 -4.238 2.438 6.158 908 2HBD HEC 204 2HBD HEC 204 -2.977 3.575 5.692 Start of MODEL 17 1 1H ALA 1 1H ALA 1 20.869 14.537 3.911 2 2H ALA 1 2H ALA 1 20.141 15.438 2.668 3 3H ALA 1 3H ALA 1 21.545 14.534 2.356 4 HA ALA 1 HA ALA 1 19.472 13.466 1.512 5 1HB ALA 1 1HB ALA 1 21.698 12.401 2.217 6 2HB ALA 1 2HB ALA 1 20.302 11.324 2.183 7 3HB ALA 1 3HB ALA 1 20.890 11.957 3.720 8 HA PRO 2 HA PRO 2 16.047 13.308 4.259 9 1HB PRO 2 1HB PRO 2 14.780 11.046 3.389 10 2HB PRO 2 2HB PRO 2 14.781 12.562 2.474 11 1HG PRO 2 1HG PRO 2 16.406 10.107 2.072 12 2HG PRO 2 2HG PRO 2 15.703 11.205 0.873 13 1HD PRO 2 1HD PRO 2 18.345 11.221 1.593 14 2HD PRO 2 2HD PRO 2 17.482 12.636 0.952 15 H LYS 3 H LYS 3 15.720 12.509 6.325 16 HA LYS 3 HA LYS 3 17.315 10.128 7.134 17 1HB LYS 3 1HB LYS 3 15.773 12.161 8.756 18 2HB LYS 3 2HB LYS 3 16.930 10.985 9.372 19 1HG LYS 3 1HG LYS 3 18.584 12.102 7.679 20 2HG LYS 3 2HG LYS 3 17.446 13.449 7.727 21 1HD LYS 3 1HD LYS 3 17.626 13.328 10.274 22 2HD LYS 3 2HD LYS 3 19.004 12.256 10.027 23 1HE LYS 3 1HE LYS 3 19.920 14.121 8.465 24 2HE LYS 3 2HE LYS 3 18.735 15.167 9.271 25 1HZ LYS 3 1HZ LYS 3 19.608 14.460 11.410 26 2HZ LYS 3 2HZ LYS 3 20.844 15.152 10.472 27 3HZ LYS 3 3HZ LYS 3 20.749 13.465 10.644 28 H ALA 4 H ALA 4 15.857 8.571 6.213 29 HA ALA 4 HA ALA 4 13.137 8.238 6.385 30 1HB ALA 4 1HB ALA 4 14.777 5.923 7.295 31 2HB ALA 4 2HB ALA 4 15.251 6.668 5.769 32 3HB ALA 4 3HB ALA 4 13.621 6.023 5.966 33 HA PRO 5 HA PRO 5 12.297 8.381 10.704 34 1HB PRO 5 1HB PRO 5 9.669 7.614 10.581 35 2HB PRO 5 2HB PRO 5 10.242 9.235 10.151 36 1HG PRO 5 1HG PRO 5 9.369 7.026 8.402 37 2HG PRO 5 2HG PRO 5 9.344 8.769 8.128 38 1HD PRO 5 1HD PRO 5 11.205 6.954 7.076 39 2HD PRO 5 2HD PRO 5 11.334 8.723 7.066 40 H ALA 6 H ALA 6 11.625 6.908 12.458 41 HA ALA 6 HA ALA 6 12.786 4.336 12.301 42 1HB ALA 6 1HB ALA 6 12.292 5.788 14.319 43 2HB ALA 6 2HB ALA 6 11.862 4.089 14.520 44 3HB ALA 6 3HB ALA 6 10.607 5.283 14.183 45 H ASP 7 H ASP 7 11.675 2.266 12.519 46 HA ASP 7 HA ASP 7 9.613 1.844 10.550 47 1HB ASP 7 1HB ASP 7 10.478 -0.020 12.770 48 2HB ASP 7 2HB ASP 7 9.932 -0.444 11.150 49 H GLY 8 H GLY 8 7.506 0.851 11.090 50 1HA GLY 8 1HA GLY 8 5.666 0.429 12.587 51 2HA GLY 8 2HA GLY 8 6.484 1.394 13.815 52 H LEU 9 H LEU 9 6.466 2.795 10.684 53 HA LEU 9 HA LEU 9 5.007 5.114 11.521 54 1HB LEU 9 1HB LEU 9 6.540 4.292 9.353 55 2HB LEU 9 2HB LEU 9 4.935 4.516 8.654 56 HG LEU 9 HG LEU 9 5.858 6.614 10.542 57 1HD1 LEU 9 1HD1 LEU 9 7.036 7.706 8.511 58 2HD1 LEU 9 2HD1 LEU 9 7.095 6.074 7.841 59 3HD1 LEU 9 3HD1 LEU 9 7.908 6.432 9.365 60 1HD2 LEU 9 1HD2 LEU 9 4.850 7.998 8.594 61 2HD2 LEU 9 2HD2 LEU 9 3.742 7.002 9.548 62 3HD2 LEU 9 3HD2 LEU 9 4.291 6.447 7.967 63 H LYS 10 H LYS 10 2.839 5.225 11.886 64 HA LYS 10 HA LYS 10 1.104 3.121 10.699 65 1HB LYS 10 1HB LYS 10 1.229 4.687 13.136 66 2HB LYS 10 2HB LYS 10 -0.374 4.769 12.405 67 1HG LYS 10 1HG LYS 10 0.111 2.131 12.101 68 2HG LYS 10 2HG LYS 10 1.056 2.435 13.559 69 1HD LYS 10 1HD LYS 10 -0.980 3.578 14.532 70 2HD LYS 10 2HD LYS 10 -1.890 2.993 13.138 71 1HE LYS 10 1HE LYS 10 -1.819 0.789 13.845 72 2HE LYS 10 2HE LYS 10 -0.266 1.000 14.679 73 1HZ LYS 10 1HZ LYS 10 -1.269 2.134 16.431 74 2HZ LYS 10 2HZ LYS 10 -2.363 0.874 16.113 75 3HZ LYS 10 3HZ LYS 10 -2.688 2.446 15.557 76 H MET 11 H MET 11 0.148 3.624 8.822 77 HA MET 11 HA MET 11 -0.386 6.448 8.085 78 1HB MET 11 1HB MET 11 -1.177 5.168 5.945 79 2HB MET 11 2HB MET 11 0.546 5.189 6.310 80 1HG MET 11 1HG MET 11 -0.925 2.986 7.588 81 2HG MET 11 2HG MET 11 -0.923 2.925 5.828 82 1HE MET 11 1HE MET 11 1.519 3.989 4.696 83 2HE MET 11 2HE MET 11 0.923 2.363 4.374 84 3HE MET 11 3HE MET 11 2.630 2.612 4.729 85 H ASP 12 H ASP 12 -2.185 7.070 9.301 86 HA ASP 12 HA ASP 12 -4.577 5.270 9.243 87 1HB ASP 12 1HB ASP 12 -5.271 6.970 11.074 88 2HB ASP 12 2HB ASP 12 -3.971 5.843 11.442 89 H LYS 13 H LYS 13 -3.531 7.348 7.172 90 HA LYS 13 HA LYS 13 -5.177 9.592 6.947 91 1HB LYS 13 1HB LYS 13 -4.010 7.611 5.001 92 2HB LYS 13 2HB LYS 13 -4.904 9.017 4.430 93 1HG LYS 13 1HG LYS 13 -2.533 9.132 6.318 94 2HG LYS 13 2HG LYS 13 -2.443 9.436 4.584 95 1HD LYS 13 1HD LYS 13 -4.189 11.240 4.903 96 2HD LYS 13 2HD LYS 13 -3.995 11.021 6.642 97 1HE LYS 13 1HE LYS 13 -1.892 11.982 6.667 98 2HE LYS 13 2HE LYS 13 -1.513 11.434 5.021 99 1HZ LYS 13 1HZ LYS 13 -1.955 13.782 4.968 100 2HZ LYS 13 2HZ LYS 13 -3.431 13.574 5.783 101 3HZ LYS 13 3HZ LYS 13 -3.237 12.976 4.204 102 H THR 14 H THR 14 -5.977 6.211 6.404 103 HA THR 14 HA THR 14 -8.778 7.014 5.667 104 HB THR 14 HB THR 14 -8.786 4.647 4.691 105 HG1 THR 14 1HG THR 14 -7.105 3.537 5.220 106 1HG2 THR 14 1HG2 THR 14 -6.918 6.789 3.661 107 2HG2 THR 14 2HG2 THR 14 -8.598 6.511 3.199 108 3HG2 THR 14 3HG2 THR 14 -7.350 5.357 2.725 109 H LYS 15 H LYS 15 -10.365 5.141 6.321 110 HA LYS 15 HA LYS 15 -10.450 4.929 9.164 111 1HB LYS 15 1HB LYS 15 -11.881 3.909 6.785 112 2HB LYS 15 2HB LYS 15 -12.047 2.906 8.227 113 1HG LYS 15 1HG LYS 15 -13.492 4.379 9.120 114 2HG LYS 15 2HG LYS 15 -12.297 5.668 8.978 115 1HD LYS 15 1HD LYS 15 -13.438 6.584 7.270 116 2HD LYS 15 2HD LYS 15 -13.352 5.069 6.370 117 1HE LYS 15 1HE LYS 15 -15.610 4.959 6.643 118 2HE LYS 15 2HE LYS 15 -15.271 4.563 8.339 119 1HZ LYS 15 1HZ LYS 15 -16.698 6.591 7.963 120 2HZ LYS 15 2HZ LYS 15 -15.317 7.348 7.325 121 3HZ LYS 15 3HZ LYS 15 -15.332 6.825 8.941 122 H GLN 16 H GLN 16 -8.881 2.981 6.735 123 HA GLN 16 HA GLN 16 -8.332 0.820 8.724 124 1HB GLN 16 1HB GLN 16 -8.315 1.095 5.724 125 2HB GLN 16 2HB GLN 16 -7.425 -0.221 6.491 126 1HG GLN 16 1HG GLN 16 -9.330 -1.377 6.782 127 2HG GLN 16 2HG GLN 16 -10.024 -0.038 7.697 128 1HE2 GLN 16 2HE2 GLN 16 -10.219 -1.766 4.727 129 2HE2 GLN 16 1HE2 GLN 16 -11.277 -0.712 3.923 130 HA PRO 17 HA PRO 17 -4.505 3.407 8.659 131 1HB PRO 17 1HB PRO 17 -3.919 2.976 11.305 132 2HB PRO 17 2HB PRO 17 -4.987 4.277 10.741 133 1HG PRO 17 1HG PRO 17 -5.694 1.599 11.850 134 2HG PRO 17 2HG PRO 17 -6.430 3.178 12.168 135 1HD PRO 17 1HD PRO 17 -7.553 1.385 10.495 136 2HD PRO 17 2HD PRO 17 -7.678 3.140 10.227 137 H VAL 18 H VAL 18 -2.509 2.546 8.235 138 HA VAL 18 HA VAL 18 -2.019 -0.315 8.977 139 HB VAL 18 HB VAL 18 -1.501 1.331 6.494 140 1HG1 VAL 18 1HG1 VAL 18 0.563 0.096 7.110 141 2HG1 VAL 18 2HG1 VAL 18 -0.166 -0.525 5.631 142 3HG1 VAL 18 3HG1 VAL 18 -0.366 -1.402 7.148 143 1HG2 VAL 18 1HG2 VAL 18 -3.487 0.288 6.060 144 2HG2 VAL 18 2HG2 VAL 18 -3.232 -0.931 7.310 145 3HG2 VAL 18 3HG2 VAL 18 -2.464 -1.110 5.733 146 H VAL 19 H VAL 19 0.337 -0.823 9.170 147 HA VAL 19 HA VAL 19 1.887 1.530 10.192 148 HB VAL 19 HB VAL 19 1.934 -1.429 10.871 149 1HG1 VAL 19 1HG1 VAL 19 4.101 -0.888 11.403 150 2HG1 VAL 19 2HG1 VAL 19 3.330 -0.246 12.854 151 3HG1 VAL 19 3HG1 VAL 19 3.749 0.835 11.526 152 1HG2 VAL 19 1HG2 VAL 19 0.069 0.338 11.648 153 2HG2 VAL 19 2HG2 VAL 19 1.308 0.720 12.844 154 3HG2 VAL 19 3HG2 VAL 19 0.670 -0.919 12.730 155 H PHE 20 H PHE 20 3.566 2.081 8.809 156 HA PHE 20 HA PHE 20 4.625 -0.005 6.960 157 1HB PHE 20 1HB PHE 20 3.847 2.167 6.049 158 2HB PHE 20 2HB PHE 20 5.020 3.007 7.062 159 HD1 PHE 20 HD1 PHE 20 4.987 0.057 4.739 160 HD2 PHE 20 HD2 PHE 20 7.007 3.624 6.009 161 HE1 PHE 20 HE1 PHE 20 6.754 -0.333 3.043 162 HE2 PHE 20 HE2 PHE 20 8.766 3.234 4.312 163 HZ PHE 20 HZ PHE 20 8.642 1.256 2.830 164 H ASN 21 H ASN 21 6.503 -1.003 7.540 165 HA ASN 21 HA ASN 21 8.253 0.272 9.575 166 1HB ASN 21 1HB ASN 21 7.304 -2.354 8.884 167 2HB ASN 21 2HB ASN 21 9.060 -2.335 8.801 168 1HD2 ASN 21 2HD2 ASN 21 6.595 -0.858 10.993 169 2HD2 ASN 21 1HD2 ASN 21 7.374 -1.334 12.424 170 H HIS 22 H HIS 22 9.470 1.754 8.271 171 HA HIS 22 HA HIS 22 10.474 1.408 5.688 172 1HB HIS 22 1HB HIS 22 11.405 2.788 8.185 173 2HB HIS 22 2HB HIS 22 12.468 2.779 6.780 174 HD1 HIS 22 HD1 HIS 22 9.632 4.543 8.208 175 HD2 HIS 22 HD2 HIS 22 11.042 3.859 4.341 176 HE1 HIS 22 HE1 HIS 22 8.587 6.320 6.741 177 H SER 23 H SER 23 11.595 -0.049 8.699 178 HA SER 23 HA SER 23 14.161 -0.962 7.966 179 1HB SER 23 1HB SER 23 13.270 -2.969 9.504 180 2HB SER 23 2HB SER 23 13.589 -1.372 10.173 181 HG SER 23 HG SER 23 11.108 -2.443 9.304 182 H THR 24 H THR 24 10.965 -2.378 7.277 183 HA THR 24 HA THR 24 12.043 -4.711 5.901 184 HB THR 24 HB THR 24 9.327 -3.978 5.203 185 HG1 THR 24 1HG THR 24 8.612 -3.981 7.429 186 1HG2 THR 24 1HG2 THR 24 10.843 -6.216 6.099 187 2HG2 THR 24 2HG2 THR 24 9.189 -6.201 5.486 188 3HG2 THR 24 3HG2 THR 24 9.491 -6.009 7.213 189 H HIS 25 H HIS 25 11.774 -1.441 5.080 190 HA HIS 25 HA HIS 25 11.741 -2.077 2.160 191 1HB HIS 25 1HB HIS 25 10.880 0.396 3.690 192 2HB HIS 25 2HB HIS 25 10.701 0.134 1.958 193 HD1 HIS 25 HD1 HIS 25 9.396 -1.056 5.277 194 HD2 HIS 25 HD2 HIS 25 8.621 -1.652 1.226 195 HE1 HIS 25 HE1 HIS 25 7.244 -2.384 5.148 196 H LYS 26 H LYS 26 13.657 -0.976 4.740 197 HA LYS 26 HA LYS 26 15.213 1.123 3.722 198 1HB LYS 26 1HB LYS 26 16.958 0.203 5.197 199 2HB LYS 26 2HB LYS 26 15.378 0.056 5.969 200 1HG LYS 26 1HG LYS 26 15.252 -2.295 5.024 201 2HG LYS 26 2HG LYS 26 16.945 -2.118 4.560 202 1HD LYS 26 1HD LYS 26 17.271 -1.397 7.063 203 2HD LYS 26 2HD LYS 26 15.741 -2.241 7.310 204 1HE LYS 26 1HE LYS 26 16.643 -4.319 6.560 205 2HE LYS 26 2HE LYS 26 18.070 -3.529 5.860 206 1HZ LYS 26 1HZ LYS 26 18.618 -2.722 8.114 207 2HZ LYS 26 2HZ LYS 26 18.662 -4.416 7.995 208 3HZ LYS 26 3HZ LYS 26 17.341 -3.647 8.739 209 H ALA 27 H ALA 27 15.026 -2.196 2.676 210 HA ALA 27 HA ALA 27 17.484 -1.983 1.024 211 1HB ALA 27 1HB ALA 27 15.446 -4.197 1.448 212 2HB ALA 27 2HB ALA 27 16.967 -4.027 2.325 213 3HB ALA 27 3HB ALA 27 16.981 -4.372 0.595 214 H VAL 28 H VAL 28 14.231 -1.176 0.779 215 HA VAL 28 HA VAL 28 13.802 -1.912 -2.026 216 HB VAL 28 HB VAL 28 12.378 -0.241 0.052 217 1HG1 VAL 28 1HG1 VAL 28 11.903 0.783 -2.103 218 2HG1 VAL 28 2HG1 VAL 28 10.490 -0.122 -1.567 219 3HG1 VAL 28 3HG1 VAL 28 11.549 -0.796 -2.806 220 1HG2 VAL 28 1HG2 VAL 28 11.645 -2.835 -1.337 221 2HG2 VAL 28 2HG2 VAL 28 10.739 -2.057 -0.038 222 3HG2 VAL 28 3HG2 VAL 28 12.341 -2.720 0.280 223 H LYS 29 H LYS 29 13.053 0.105 -3.458 224 HA LYS 29 HA LYS 29 15.378 1.930 -3.473 225 1HB LYS 29 1HB LYS 29 13.534 0.778 -5.358 226 2HB LYS 29 2HB LYS 29 13.540 2.535 -5.518 227 1HG LYS 29 1HG LYS 29 15.350 2.067 -6.856 228 2HG LYS 29 2HG LYS 29 16.173 2.165 -5.297 229 1HD LYS 29 1HD LYS 29 16.633 -0.057 -5.268 230 2HD LYS 29 2HD LYS 29 15.034 -0.486 -5.876 231 1HE LYS 29 1HE LYS 29 17.040 -0.983 -7.433 232 2HE LYS 29 2HE LYS 29 15.687 -0.085 -8.150 233 1HZ LYS 29 1HZ LYS 29 16.849 1.832 -8.184 234 2HZ LYS 29 2HZ LYS 29 18.200 0.801 -8.186 235 3HZ LYS 29 3HZ LYS 29 17.665 1.504 -6.734 236 H CYS 30 H CYS 30 15.097 3.536 -2.026 237 HA CYS 30 HA CYS 30 12.790 4.703 -0.986 238 1HB CYS 30 1HB CYS 30 15.527 5.747 -1.695 239 2HB CYS 30 2HB CYS 30 14.326 6.837 -1.007 240 H GLY 31 H GLY 31 14.103 4.982 -4.199 241 1HA GLY 31 1HA GLY 31 12.380 7.273 -4.893 242 2HA GLY 31 2HA GLY 31 13.521 6.471 -5.976 243 H ASP 32 H ASP 32 12.125 3.862 -4.792 244 HA ASP 32 HA ASP 32 10.267 3.605 -7.043 245 1HB ASP 32 1HB ASP 32 11.828 1.952 -5.401 246 2HB ASP 32 2HB ASP 32 10.170 1.527 -5.002 247 H CYS 33 H CYS 33 10.129 4.134 -3.568 248 HA CYS 33 HA CYS 33 7.157 4.023 -3.540 249 1HB CYS 33 1HB CYS 33 9.368 4.399 -1.495 250 2HB CYS 33 2HB CYS 33 7.665 4.575 -1.073 251 H HIS 34 H HIS 34 9.714 6.316 -2.495 252 HA HIS 34 HA HIS 34 7.885 8.617 -2.819 253 1HB HIS 34 1HB HIS 34 10.793 8.281 -1.995 254 2HB HIS 34 2HB HIS 34 9.958 9.824 -2.019 255 HD1 HIS 34 HD1 HIS 34 7.567 9.734 -0.529 256 HD2 HIS 34 HD2 HIS 34 10.599 7.049 0.457 257 HE1 HIS 34 HE1 HIS 34 7.114 8.975 1.845 258 H HIS 35 H HIS 35 8.338 7.217 -5.243 259 HA HIS 35 HA HIS 35 10.389 7.706 -6.939 260 1HB HIS 35 1HB HIS 35 8.569 8.145 -8.687 261 2HB HIS 35 2HB HIS 35 8.394 6.684 -7.733 262 HD1 HIS 35 HD1 HIS 35 7.058 10.135 -8.074 263 HD2 HIS 35 HD2 HIS 35 6.105 6.627 -6.059 264 HE1 HIS 35 HE1 HIS 35 4.758 10.493 -7.093 265 HA PRO 36 HA PRO 36 11.338 11.914 -7.374 266 1HB PRO 36 1HB PRO 36 11.696 12.168 -10.084 267 2HB PRO 36 2HB PRO 36 12.853 11.349 -9.015 268 1HG PRO 36 1HG PRO 36 10.728 10.174 -10.753 269 2HG PRO 36 2HG PRO 36 12.399 9.639 -10.501 270 1HD PRO 36 1HD PRO 36 10.326 8.437 -9.278 271 2HD PRO 36 2HD PRO 36 11.911 8.615 -8.486 272 H VAL 37 H VAL 37 9.607 13.198 -6.858 273 HA VAL 37 HA VAL 37 7.521 13.686 -8.954 274 HB VAL 37 HB VAL 37 7.592 13.780 -5.936 275 1HG1 VAL 37 1HG1 VAL 37 6.472 15.816 -6.464 276 2HG1 VAL 37 2HG1 VAL 37 5.187 14.642 -6.179 277 3HG1 VAL 37 3HG1 VAL 37 5.628 15.084 -7.828 278 1HG2 VAL 37 1HG2 VAL 37 6.827 11.682 -6.455 279 2HG2 VAL 37 2HG2 VAL 37 6.296 12.165 -8.066 280 3HG2 VAL 37 3HG2 VAL 37 5.296 12.534 -6.661 281 H ASN 38 H ASN 38 6.918 15.952 -9.277 282 HA ASN 38 HA ASN 38 7.534 18.222 -9.636 283 1HB ASN 38 1HB ASN 38 6.930 17.833 -7.157 284 2HB ASN 38 2HB ASN 38 8.648 17.925 -6.855 285 1HD2 ASN 38 2HD2 ASN 38 8.618 19.907 -9.349 286 2HD2 ASN 38 1HD2 ASN 38 8.214 21.383 -8.617 287 H GLY 39 H GLY 39 9.708 15.977 -9.988 288 1HA GLY 39 1HA GLY 39 11.867 16.296 -10.997 289 2HA GLY 39 2HA GLY 39 11.965 17.878 -10.219 290 H LYS 40 H LYS 40 10.814 16.199 -7.764 291 HA LYS 40 HA LYS 40 13.418 14.940 -6.970 292 1HB LYS 40 1HB LYS 40 13.124 16.186 -4.766 293 2HB LYS 40 2HB LYS 40 13.523 17.200 -6.153 294 1HG LYS 40 1HG LYS 40 11.136 17.743 -6.450 295 2HG LYS 40 2HG LYS 40 10.731 16.726 -5.066 296 1HD LYS 40 1HD LYS 40 12.194 18.160 -3.637 297 2HD LYS 40 2HD LYS 40 12.461 19.216 -5.024 298 1HE LYS 40 1HE LYS 40 10.396 20.176 -4.839 299 2HE LYS 40 2HE LYS 40 9.614 18.631 -4.447 300 1HZ LYS 40 1HZ LYS 40 11.501 19.873 -2.553 301 2HZ LYS 40 2HZ LYS 40 10.259 18.757 -2.245 302 3HZ LYS 40 3HZ LYS 40 9.883 20.378 -2.586 303 H GLU 41 H GLU 41 13.162 13.207 -5.493 304 HA GLU 41 HA GLU 41 10.585 11.910 -5.398 305 1HB GLU 41 1HB GLU 41 13.257 11.522 -4.042 306 2HB GLU 41 2HB GLU 41 11.888 10.467 -3.694 307 1HG GLU 41 1HG GLU 41 11.841 9.594 -5.863 308 2HG GLU 41 2HG GLU 41 12.675 10.988 -6.549 309 H ASP 42 H ASP 42 8.933 12.748 -4.152 310 HA ASP 42 HA ASP 42 9.348 14.431 -1.853 311 1HB ASP 42 1HB ASP 42 6.980 12.741 -2.696 312 2HB ASP 42 2HB ASP 42 6.932 14.081 -1.553 313 H TYR 43 H TYR 43 10.644 13.422 -0.310 314 HA TYR 43 HA TYR 43 10.169 10.663 0.542 315 1HB TYR 43 1HB TYR 43 11.904 12.924 1.595 316 2HB TYR 43 2HB TYR 43 11.997 11.252 2.149 317 HD1 TYR 43 HD1 TYR 43 13.024 13.616 -0.370 318 HD2 TYR 43 HD2 TYR 43 12.511 9.425 0.425 319 HE1 TYR 43 HE1 TYR 43 14.517 13.071 -2.273 320 HE2 TYR 43 HE2 TYR 43 14.003 8.881 -1.477 321 HH TYR 43 HH TYR 43 15.078 9.706 -3.263 322 H GLN 44 H GLN 44 7.770 11.919 0.879 323 HA GLN 44 HA GLN 44 7.608 12.348 3.846 324 1HB GLN 44 1HB GLN 44 5.829 14.011 3.309 325 2HB GLN 44 2HB GLN 44 7.381 14.451 2.594 326 1HG GLN 44 1HG GLN 44 6.622 13.300 0.472 327 2HG GLN 44 2HG GLN 44 5.023 13.155 1.203 328 1HE2 GLN 44 2HE2 GLN 44 5.597 15.860 2.627 329 2HE2 GLN 44 1HE2 GLN 44 5.278 17.015 1.424 330 H LYS 45 H LYS 45 5.240 12.004 4.591 331 HA LYS 45 HA LYS 45 4.379 9.396 4.259 332 1HB LYS 45 1HB LYS 45 3.100 12.000 4.952 333 2HB LYS 45 2HB LYS 45 2.044 10.607 4.720 334 1HG LYS 45 1HG LYS 45 2.778 9.577 6.614 335 2HG LYS 45 2HG LYS 45 4.447 10.083 6.356 336 1HD LYS 45 1HD LYS 45 3.621 12.454 6.971 337 2HD LYS 45 2HD LYS 45 2.190 11.644 7.609 338 1HE LYS 45 1HE LYS 45 3.458 10.445 9.233 339 2HE LYS 45 2HE LYS 45 4.991 10.822 8.421 340 1HZ LYS 45 1HZ LYS 45 4.725 12.344 10.229 341 2HZ LYS 45 2HZ LYS 45 3.146 12.741 9.741 342 3HZ LYS 45 3HZ LYS 45 4.475 13.206 8.789 343 H CYS 46 H CYS 46 3.435 8.260 2.633 344 HA CYS 46 HA CYS 46 3.213 9.052 -0.014 345 1HB CYS 46 1HB CYS 46 1.442 7.142 1.537 346 2HB CYS 46 2HB CYS 46 1.692 7.116 -0.203 347 H ALA 47 H ALA 47 0.674 9.262 2.471 348 HA ALA 47 HA ALA 47 -1.116 10.679 0.572 349 1HB ALA 47 1HB ALA 47 -1.318 9.010 2.922 350 2HB ALA 47 2HB ALA 47 -2.572 9.443 1.761 351 3HB ALA 47 3HB ALA 47 -2.245 10.493 3.137 352 H THR 48 H THR 48 0.987 12.316 1.015 353 HA THR 48 HA THR 48 1.148 13.967 3.252 354 HB THR 48 HB THR 48 1.177 15.204 0.531 355 HG1 THR 48 1HG THR 48 2.216 13.564 -0.235 356 1HG2 THR 48 1HG2 THR 48 2.177 15.899 2.979 357 2HG2 THR 48 2HG2 THR 48 2.811 16.492 1.444 358 3HG2 THR 48 3HG2 THR 48 3.576 15.119 2.243 359 H ALA 49 H ALA 49 0.406 16.499 2.811 360 HA ALA 49 HA ALA 49 -2.445 16.516 3.308 361 1HB ALA 49 1HB ALA 49 -2.081 18.871 3.622 362 2HB ALA 49 2HB ALA 49 -0.639 18.843 2.606 363 3HB ALA 49 3HB ALA 49 -0.618 18.067 4.189 364 H GLY 50 H GLY 50 -0.440 17.125 0.477 365 1HA GLY 50 1HA GLY 50 -2.944 17.440 -1.126 366 2HA GLY 50 2HA GLY 50 -1.547 18.473 -1.424 367 H CYS 51 H CYS 51 -1.932 14.987 -0.837 368 HA CYS 51 HA CYS 51 -0.660 14.440 -3.479 369 1HB CYS 51 1HB CYS 51 0.773 14.605 -1.214 370 2HB CYS 51 2HB CYS 51 0.285 12.939 -1.075 371 H HIS 52 H HIS 52 -0.508 11.669 -1.697 372 HA HIS 52 HA HIS 52 -2.871 10.509 -2.977 373 1HB HIS 52 1HB HIS 52 -0.778 9.538 -1.024 374 2HB HIS 52 2HB HIS 52 -2.059 8.503 -1.608 375 HD1 HIS 52 HD1 HIS 52 -2.197 8.906 -4.459 376 HD2 HIS 52 HD2 HIS 52 1.472 9.020 -2.517 377 HE1 HIS 52 HE1 HIS 52 -0.445 8.382 -6.224 378 H ASP 53 H ASP 53 -3.816 12.563 -1.382 379 HA ASP 53 HA ASP 53 -4.671 11.334 1.195 380 1HB ASP 53 1HB ASP 53 -5.309 13.688 1.704 381 2HB ASP 53 2HB ASP 53 -3.617 13.547 1.225 382 H ASN 54 H ASN 54 -5.878 10.754 -1.620 383 HA ASN 54 HA ASN 54 -8.562 11.928 -1.451 384 1HB ASN 54 1HB ASN 54 -7.030 10.957 -3.451 385 2HB ASN 54 2HB ASN 54 -7.968 9.509 -3.093 386 1HD2 ASN 54 2HD2 ASN 54 -9.673 9.427 -4.567 387 2HD2 ASN 54 1HD2 ASN 54 -10.651 10.747 -4.994 388 H MET 55 H MET 55 -9.685 11.241 0.373 389 HA MET 55 HA MET 55 -9.458 8.521 1.412 390 1HB MET 55 1HB MET 55 -10.750 11.102 2.065 391 2HB MET 55 2HB MET 55 -11.616 9.675 2.636 392 1HG MET 55 1HG MET 55 -10.145 9.463 4.322 393 2HG MET 55 2HG MET 55 -8.843 9.259 3.151 394 1HE MET 55 1HE MET 55 -6.705 11.451 4.628 395 2HE MET 55 2HE MET 55 -6.834 11.597 2.877 396 3HE MET 55 3HE MET 55 -7.130 10.042 3.648 397 H ASP 56 H ASP 56 -10.863 9.499 -1.341 398 HA ASP 56 HA ASP 56 -13.527 8.316 -1.069 399 1HB ASP 56 1HB ASP 56 -12.211 10.081 -2.767 400 2HB ASP 56 2HB ASP 56 -12.404 8.635 -3.759 401 H LYS 57 H LYS 57 -10.378 7.080 -1.459 402 HA LYS 57 HA LYS 57 -9.560 4.996 -2.253 403 1HB LYS 57 1HB LYS 57 -10.636 4.413 -0.164 404 2HB LYS 57 2HB LYS 57 -12.222 4.392 -0.933 405 1HG LYS 57 1HG LYS 57 -10.326 2.642 -2.295 406 2HG LYS 57 2HG LYS 57 -10.539 2.197 -0.603 407 1HD LYS 57 1HD LYS 57 -12.901 2.770 -2.394 408 2HD LYS 57 2HD LYS 57 -12.183 1.162 -2.295 409 1HE LYS 57 1HE LYS 57 -13.041 0.780 -0.210 410 2HE LYS 57 2HE LYS 57 -12.724 2.442 0.324 411 1HZ LYS 57 1HZ LYS 57 -14.738 1.940 -1.762 412 2HZ LYS 57 2HZ LYS 57 -14.633 3.228 -0.658 413 3HZ LYS 57 3HZ LYS 57 -15.155 1.699 -0.136 414 H LYS 58 H LYS 58 -11.334 6.566 -4.149 415 HA LYS 58 HA LYS 58 -12.170 4.252 -5.865 416 1HB LYS 58 1HB LYS 58 -14.119 5.547 -6.499 417 2HB LYS 58 2HB LYS 58 -14.035 5.537 -4.737 418 1HG LYS 58 1HG LYS 58 -14.146 7.790 -4.854 419 2HG LYS 58 2HG LYS 58 -12.485 7.733 -5.445 420 1HD LYS 58 1HD LYS 58 -13.879 7.167 -7.730 421 2HD LYS 58 2HD LYS 58 -14.987 8.271 -6.916 422 1HE LYS 58 1HE LYS 58 -13.357 10.014 -6.831 423 2HE LYS 58 2HE LYS 58 -12.039 8.898 -7.243 424 1HZ LYS 58 1HZ LYS 58 -14.297 9.754 -8.965 425 2HZ LYS 58 2HZ LYS 58 -13.319 8.415 -9.334 426 3HZ LYS 58 3HZ LYS 58 -12.640 9.969 -9.248 427 H ASP 59 H ASP 59 -10.639 7.390 -5.607 428 HA ASP 59 HA ASP 59 -10.507 8.143 -8.348 429 1HB ASP 59 1HB ASP 59 -9.882 9.688 -6.645 430 2HB ASP 59 2HB ASP 59 -8.740 8.550 -5.928 431 H LYS 60 H LYS 60 -9.754 6.779 -9.937 432 HA LYS 60 HA LYS 60 -7.639 4.803 -9.357 433 1HB LYS 60 1HB LYS 60 -9.816 5.190 -11.187 434 2HB LYS 60 2HB LYS 60 -8.336 4.965 -12.121 435 1HG LYS 60 1HG LYS 60 -9.276 3.139 -9.889 436 2HG LYS 60 2HG LYS 60 -9.442 2.800 -11.611 437 1HD LYS 60 1HD LYS 60 -6.758 3.413 -10.371 438 2HD LYS 60 2HD LYS 60 -7.405 1.773 -10.413 439 1HE LYS 60 1HE LYS 60 -7.784 2.780 -13.022 440 2HE LYS 60 2HE LYS 60 -6.141 3.263 -12.551 441 1HZ LYS 60 1HZ LYS 60 -7.278 0.540 -12.196 442 2HZ LYS 60 2HZ LYS 60 -5.692 1.024 -11.827 443 3HZ LYS 60 3HZ LYS 60 -6.218 0.986 -13.443 444 H SER 61 H SER 61 -7.161 7.848 -9.461 445 HA SER 61 HA SER 61 -5.279 8.024 -11.763 446 1HB SER 61 1HB SER 61 -7.101 9.750 -10.673 447 2HB SER 61 2HB SER 61 -5.622 10.277 -9.874 448 HG SER 61 HG SER 61 -6.403 10.847 -12.301 449 H ALA 62 H ALA 62 -3.503 9.902 -10.551 450 HA ALA 62 HA ALA 62 -1.927 8.058 -8.821 451 1HB ALA 62 1HB ALA 62 -0.156 8.932 -9.947 452 2HB ALA 62 2HB ALA 62 -0.726 10.584 -9.716 453 3HB ALA 62 3HB ALA 62 -1.358 9.611 -11.043 454 H LYS 63 H LYS 63 -4.251 9.991 -8.022 455 HA LYS 63 HA LYS 63 -2.727 11.497 -5.917 456 1HB LYS 63 1HB LYS 63 -4.389 12.421 -7.920 457 2HB LYS 63 2HB LYS 63 -5.486 12.310 -6.542 458 1HG LYS 63 1HG LYS 63 -4.629 14.419 -6.161 459 2HG LYS 63 2HG LYS 63 -3.429 13.465 -5.288 460 1HD LYS 63 1HD LYS 63 -1.860 14.387 -6.617 461 2HD LYS 63 2HD LYS 63 -2.549 13.459 -7.950 462 1HE LYS 63 1HE LYS 63 -4.103 15.306 -8.460 463 2HE LYS 63 2HE LYS 63 -3.434 16.244 -7.109 464 1HZ LYS 63 1HZ LYS 63 -2.418 16.602 -9.419 465 2HZ LYS 63 2HZ LYS 63 -1.676 15.090 -9.185 466 3HZ LYS 63 3HZ LYS 63 -1.358 16.372 -8.115 467 H GLY 64 H GLY 64 -4.885 8.937 -6.475 468 1HA GLY 64 1HA GLY 64 -6.468 9.247 -4.058 469 2HA GLY 64 2HA GLY 64 -6.437 7.825 -5.093 470 H TYR 65 H TYR 65 -6.247 8.017 -2.165 471 HA TYR 65 HA TYR 65 -3.483 7.331 -1.463 472 1HB TYR 65 1HB TYR 65 -5.214 8.556 -0.045 473 2HB TYR 65 2HB TYR 65 -6.028 7.005 0.145 474 HD1 TYR 65 HD1 TYR 65 -2.375 7.774 -0.010 475 HD2 TYR 65 HD2 TYR 65 -5.649 6.356 2.377 476 HE1 TYR 65 HE1 TYR 65 -0.788 7.142 1.785 477 HE2 TYR 65 HE2 TYR 65 -4.062 5.725 4.175 478 HH TYR 65 HH TYR 65 -0.748 6.707 4.127 479 H TYR 66 H TYR 66 -6.607 5.597 -1.644 480 HA TYR 66 HA TYR 66 -5.498 3.032 -0.927 481 1HB TYR 66 1HB TYR 66 -7.756 3.181 -0.510 482 2HB TYR 66 2HB TYR 66 -8.039 4.242 -1.887 483 HD1 TYR 66 HD1 TYR 66 -8.335 0.922 -0.637 484 HD2 TYR 66 HD2 TYR 66 -7.795 3.183 -4.243 485 HE1 TYR 66 HE1 TYR 66 -9.126 -1.016 -1.965 486 HE2 TYR 66 HE2 TYR 66 -8.587 1.244 -5.580 487 HH TYR 66 HH TYR 66 -9.185 -0.902 -5.526 488 H HIS 67 H HIS 67 -6.179 4.650 -4.028 489 HA HIS 67 HA HIS 67 -5.833 2.482 -5.809 490 1HB HIS 67 1HB HIS 67 -6.563 4.552 -6.678 491 2HB HIS 67 2HB HIS 67 -5.257 5.440 -5.894 492 HD1 HIS 67 HD1 HIS 67 -5.850 2.999 -8.729 493 HD2 HIS 67 HD2 HIS 67 -2.910 5.640 -7.409 494 HE1 HIS 67 HE1 HIS 67 -4.061 3.030 -10.517 495 H ALA 68 H ALA 68 -3.279 4.909 -5.247 496 HA ALA 68 HA ALA 68 -1.105 3.533 -6.278 497 1HB ALA 68 1HB ALA 68 -0.344 5.544 -5.583 498 2HB ALA 68 2HB ALA 68 -0.162 4.835 -3.979 499 3HB ALA 68 3HB ALA 68 -1.645 5.690 -4.401 500 H MET 69 H MET 69 -2.826 2.769 -3.322 501 HA MET 69 HA MET 69 -0.616 1.132 -2.260 502 1HB MET 69 1HB MET 69 -3.464 1.665 -1.395 503 2HB MET 69 2HB MET 69 -2.287 0.759 -0.446 504 1HG MET 69 1HG MET 69 -1.223 3.313 -1.374 505 2HG MET 69 2HG MET 69 -2.654 3.510 -0.365 506 1HE MET 69 1HE MET 69 1.416 3.279 0.886 507 2HE MET 69 2HE MET 69 0.272 4.616 0.971 508 3HE MET 69 3HE MET 69 0.565 3.815 -0.571 509 H HIS 70 H HIS 70 -3.888 0.553 -3.597 510 HA HIS 70 HA HIS 70 -3.340 -2.364 -3.490 511 1HB HIS 70 1HB HIS 70 -5.846 -0.879 -4.305 512 2HB HIS 70 2HB HIS 70 -5.723 -2.558 -3.771 513 HD1 HIS 70 HD1 HIS 70 -6.065 0.895 -2.532 514 HD2 HIS 70 HD2 HIS 70 -5.057 -2.818 -0.935 515 HE1 HIS 70 HE1 HIS 70 -6.232 1.131 -0.018 516 H ASP 71 H ASP 71 -3.369 0.249 -5.753 517 HA ASP 71 HA ASP 71 -3.981 -1.398 -8.096 518 1HB ASP 71 1HB ASP 71 -3.057 1.424 -7.554 519 2HB ASP 71 2HB ASP 71 -3.228 0.807 -9.192 520 H LYS 72 H LYS 72 -2.500 -2.687 -9.087 521 HA LYS 72 HA LYS 72 0.354 -2.510 -8.395 522 1HB LYS 72 1HB LYS 72 -1.046 -4.285 -10.410 523 2HB LYS 72 2HB LYS 72 0.465 -4.610 -9.560 524 1HG LYS 72 1HG LYS 72 -0.712 -5.629 -7.938 525 2HG LYS 72 2HG LYS 72 -1.472 -4.082 -7.564 526 1HD LYS 72 1HD LYS 72 -2.832 -4.884 -9.830 527 2HD LYS 72 2HD LYS 72 -2.572 -6.407 -8.980 528 1HE LYS 72 1HE LYS 72 -3.416 -5.159 -6.870 529 2HE LYS 72 2HE LYS 72 -4.039 -3.950 -8.010 530 1HZ LYS 72 1HZ LYS 72 -5.013 -5.869 -9.271 531 2HZ LYS 72 2HZ LYS 72 -5.735 -5.560 -7.764 532 3HZ LYS 72 3HZ LYS 72 -4.646 -6.852 -7.939 533 H GLY 73 H GLY 73 -1.642 -2.194 -11.334 534 1HA GLY 73 1HA GLY 73 0.576 -1.466 -13.039 535 2HA GLY 73 2HA GLY 73 -1.131 -1.238 -13.427 536 H THR 74 H THR 74 1.090 0.072 -10.950 537 HA THR 74 HA THR 74 -0.066 2.782 -11.458 538 HB THR 74 HB THR 74 1.132 3.129 -9.179 539 HG1 THR 74 1HG THR 74 2.413 1.254 -9.348 540 1HG2 THR 74 1HG2 THR 74 -0.707 1.823 -7.990 541 2HG2 THR 74 2HG2 THR 74 -1.195 1.243 -9.583 542 3HG2 THR 74 3HG2 THR 74 -1.253 2.967 -9.218 543 H LYS 75 H LYS 75 1.457 4.605 -11.564 544 HA LYS 75 HA LYS 75 3.568 4.529 -13.309 545 1HB LYS 75 1HB LYS 75 2.531 6.485 -11.970 546 2HB LYS 75 2HB LYS 75 3.689 6.080 -10.706 547 1HG LYS 75 1HG LYS 75 4.138 7.374 -13.332 548 2HG LYS 75 2HG LYS 75 5.022 7.556 -11.820 549 1HD LYS 75 1HD LYS 75 6.189 5.450 -12.197 550 2HD LYS 75 2HD LYS 75 5.241 5.153 -13.655 551 1HE LYS 75 1HE LYS 75 6.344 6.820 -14.873 552 2HE LYS 75 2HE LYS 75 6.837 7.697 -13.411 553 1HZ LYS 75 1HZ LYS 75 7.866 5.103 -14.409 554 2HZ LYS 75 2HZ LYS 75 8.126 5.634 -12.817 555 3HZ LYS 75 3HZ LYS 75 8.741 6.528 -14.125 556 H PHE 76 H PHE 76 3.911 4.094 -9.768 557 HA PHE 76 HA PHE 76 6.550 2.758 -10.272 558 1HB PHE 76 1HB PHE 76 5.474 4.159 -7.809 559 2HB PHE 76 2HB PHE 76 7.111 3.551 -8.029 560 HD1 PHE 76 HD1 PHE 76 8.497 4.521 -9.973 561 HD2 PHE 76 HD2 PHE 76 4.837 6.275 -8.571 562 HE1 PHE 76 HE1 PHE 76 9.082 6.652 -11.103 563 HE2 PHE 76 HE2 PHE 76 5.422 8.402 -9.696 564 HZ PHE 76 HZ PHE 76 7.538 8.584 -10.960 565 H LYS 77 H LYS 77 7.023 1.254 -8.173 566 HA LYS 77 HA LYS 77 4.913 -0.760 -8.200 567 1HB LYS 77 1HB LYS 77 6.468 -1.949 -6.713 568 2HB LYS 77 2HB LYS 77 7.304 -1.329 -8.133 569 1HG LYS 77 1HG LYS 77 7.911 0.705 -6.719 570 2HG LYS 77 2HG LYS 77 7.331 -0.208 -5.325 571 1HD LYS 77 1HD LYS 77 9.809 -0.432 -5.712 572 2HD LYS 77 2HD LYS 77 8.946 -1.968 -5.729 573 1HE LYS 77 1HE LYS 77 9.107 -0.651 -8.370 574 2HE LYS 77 2HE LYS 77 10.663 -1.191 -7.710 575 1HZ LYS 77 1HZ LYS 77 9.830 -3.355 -7.366 576 2HZ LYS 77 2HZ LYS 77 9.357 -2.934 -8.942 577 3HZ LYS 77 3HZ LYS 77 8.230 -2.882 -7.672 578 H SER 78 H SER 78 3.165 -0.468 -7.042 579 HA SER 78 HA SER 78 2.955 1.356 -4.786 580 1HB SER 78 1HB SER 78 0.609 0.065 -4.855 581 2HB SER 78 2HB SER 78 1.033 1.280 -6.057 582 HG SER 78 HG SER 78 0.392 -1.170 -6.532 583 H CYS 79 H CYS 79 1.652 0.438 -2.801 584 HA CYS 79 HA CYS 79 3.296 -1.340 -1.313 585 1HB CYS 79 1HB CYS 79 0.347 -0.716 -0.981 586 2HB CYS 79 2HB CYS 79 1.458 -1.215 0.290 587 H VAL 80 H VAL 80 -0.052 -2.009 -2.376 588 HA VAL 80 HA VAL 80 0.196 -4.872 -2.111 589 HB VAL 80 HB VAL 80 -1.691 -2.969 -3.502 590 1HG1 VAL 80 1HG1 VAL 80 -1.376 -5.807 -3.962 591 2HG1 VAL 80 2HG1 VAL 80 -2.464 -4.666 -4.754 592 3HG1 VAL 80 3HG1 VAL 80 -2.957 -5.464 -3.259 593 1HG2 VAL 80 1HG2 VAL 80 -2.720 -2.939 -1.486 594 2HG2 VAL 80 2HG2 VAL 80 -1.392 -3.901 -0.840 595 3HG2 VAL 80 3HG2 VAL 80 -2.827 -4.700 -1.481 596 H GLY 81 H GLY 81 0.832 -2.583 -4.708 597 1HA GLY 81 1HA GLY 81 0.967 -4.511 -6.852 598 2HA GLY 81 2HA GLY 81 1.668 -2.891 -6.884 599 H CYS 82 H CYS 82 3.384 -3.091 -4.659 600 HA CYS 82 HA CYS 82 5.600 -4.625 -5.822 601 1HB CYS 82 1HB CYS 82 5.530 -2.327 -4.531 602 2HB CYS 82 2HB CYS 82 5.554 -3.343 -3.092 603 H HIS 83 H HIS 83 3.157 -5.020 -3.420 604 HA HIS 83 HA HIS 83 4.453 -7.100 -1.863 605 1HB HIS 83 1HB HIS 83 1.786 -5.777 -2.138 606 2HB HIS 83 2HB HIS 83 1.853 -7.298 -1.268 607 HD1 HIS 83 HD1 HIS 83 1.365 -5.946 0.973 608 HD2 HIS 83 HD2 HIS 83 4.964 -4.996 -0.904 609 HE1 HIS 83 HE1 HIS 83 2.746 -4.684 2.675 610 H LEU 84 H LEU 84 1.664 -7.199 -4.153 611 HA LEU 84 HA LEU 84 1.387 -9.974 -4.383 612 1HB LEU 84 1HB LEU 84 0.483 -7.606 -5.584 613 2HB LEU 84 2HB LEU 84 1.150 -8.552 -6.910 614 HG LEU 84 HG LEU 84 -0.646 -9.847 -4.885 615 1HD1 LEU 84 1HD1 LEU 84 -1.621 -8.508 -7.420 616 2HD1 LEU 84 2HD1 LEU 84 -1.736 -7.755 -5.828 617 3HD1 LEU 84 3HD1 LEU 84 -2.598 -9.259 -6.158 618 1HD2 LEU 84 1HD2 LEU 84 -0.378 -11.607 -6.268 619 2HD2 LEU 84 2HD2 LEU 84 0.730 -10.642 -7.244 620 3HD2 LEU 84 3HD2 LEU 84 -0.993 -10.659 -7.622 621 H GLU 85 H GLU 85 3.790 -7.820 -5.819 622 HA GLU 85 HA GLU 85 4.916 -9.930 -7.544 623 1HB GLU 85 1HB GLU 85 4.855 -7.109 -7.415 624 2HB GLU 85 2HB GLU 85 6.543 -7.560 -7.173 625 1HG GLU 85 1HG GLU 85 4.760 -8.419 -9.470 626 2HG GLU 85 2HG GLU 85 6.133 -7.315 -9.560 627 H THR 86 H THR 86 5.937 -8.057 -4.665 628 HA THR 86 HA THR 86 8.460 -9.342 -4.282 629 HB THR 86 HB THR 86 6.465 -7.872 -2.561 630 HG1 THR 86 1HG THR 86 8.956 -7.415 -3.754 631 1HG2 THR 86 1HG2 THR 86 7.594 -9.628 -1.162 632 2HG2 THR 86 2HG2 THR 86 7.973 -7.978 -0.668 633 3HG2 THR 86 3HG2 THR 86 9.144 -8.912 -1.600 634 H ALA 87 H ALA 87 5.275 -10.544 -3.953 635 HA ALA 87 HA ALA 87 5.854 -12.510 -1.856 636 1HB ALA 87 1HB ALA 87 3.582 -12.700 -1.877 637 2HB ALA 87 2HB ALA 87 3.538 -12.920 -3.626 638 3HB ALA 87 3HB ALA 87 3.619 -11.296 -2.945 639 H GLY 88 H GLY 88 5.682 -12.438 -5.388 640 1HA GLY 88 1HA GLY 88 6.352 -14.013 -6.991 641 2HA GLY 88 2HA GLY 88 7.444 -14.633 -5.753 642 H ALA 89 H ALA 89 3.969 -14.702 -6.613 643 HA ALA 89 HA ALA 89 2.367 -16.414 -6.196 644 1HB ALA 89 1HB ALA 89 4.292 -18.499 -6.862 645 2HB ALA 89 2HB ALA 89 4.438 -17.101 -7.926 646 3HB ALA 89 3HB ALA 89 2.893 -17.940 -7.778 647 H ASP 90 H ASP 90 3.169 -15.797 -3.754 648 HA ASP 90 HA ASP 90 3.804 -18.399 -2.438 649 1HB ASP 90 1HB ASP 90 5.713 -16.871 -2.436 650 2HB ASP 90 2HB ASP 90 4.716 -15.588 -1.766 651 H ALA 91 H ALA 91 1.505 -18.650 -2.189 652 HA ALA 91 HA ALA 91 -0.485 -17.020 -1.285 653 1HB ALA 91 1HB ALA 91 0.224 -19.752 -0.167 654 2HB ALA 91 2HB ALA 91 -0.644 -19.460 -1.674 655 3HB ALA 91 3HB ALA 91 -1.380 -19.017 -0.134 656 H ALA 92 H ALA 92 2.295 -18.055 0.612 657 HA ALA 92 HA ALA 92 1.261 -17.091 3.163 658 1HB ALA 92 1HB ALA 92 4.183 -17.321 2.611 659 2HB ALA 92 2HB ALA 92 3.224 -18.785 2.394 660 3HB ALA 92 3HB ALA 92 3.246 -17.970 3.958 661 H LYS 93 H LYS 93 3.572 -15.904 0.743 662 HA LYS 93 HA LYS 93 3.956 -13.334 2.063 663 1HB LYS 93 1HB LYS 93 4.815 -14.820 -0.356 664 2HB LYS 93 2HB LYS 93 4.862 -13.064 -0.494 665 1HG LYS 93 1HG LYS 93 6.111 -13.061 1.731 666 2HG LYS 93 2HG LYS 93 6.257 -14.809 1.541 667 1HD LYS 93 1HD LYS 93 8.051 -14.488 0.223 668 2HD LYS 93 2HD LYS 93 7.019 -13.647 -0.935 669 1HE LYS 93 1HE LYS 93 7.353 -11.526 0.330 670 2HE LYS 93 2HE LYS 93 8.458 -12.382 1.424 671 1HZ LYS 93 1HZ LYS 93 9.783 -11.452 -0.293 672 2HZ LYS 93 2HZ LYS 93 8.740 -12.020 -1.508 673 3HZ LYS 93 3HZ LYS 93 9.681 -13.114 -0.612 674 H LYS 94 H LYS 94 1.780 -14.681 -0.335 675 HA LYS 94 HA LYS 94 0.874 -12.129 -1.412 676 1HB LYS 94 1HB LYS 94 0.339 -15.009 -1.665 677 2HB LYS 94 2HB LYS 94 -1.106 -14.015 -1.858 678 1HG LYS 94 1HG LYS 94 0.435 -12.559 -3.407 679 2HG LYS 94 2HG LYS 94 1.413 -14.025 -3.495 680 1HD LYS 94 1HD LYS 94 -1.236 -14.893 -3.842 681 2HD LYS 94 2HD LYS 94 -1.100 -13.428 -4.815 682 1HE LYS 94 1HE LYS 94 1.248 -14.622 -5.467 683 2HE LYS 94 2HE LYS 94 0.242 -16.054 -5.172 684 1HZ LYS 94 1HZ LYS 94 -0.230 -13.828 -7.057 685 2HZ LYS 94 2HZ LYS 94 -1.520 -14.779 -6.494 686 3HZ LYS 94 3HZ LYS 94 -0.249 -15.496 -7.363 687 H LYS 95 H LYS 95 0.040 -14.162 1.317 688 HA LYS 95 HA LYS 95 -2.491 -12.760 1.870 689 1HB LYS 95 1HB LYS 95 -2.717 -14.415 3.546 690 2HB LYS 95 2HB LYS 95 -1.801 -15.241 2.286 691 1HG LYS 95 1HG LYS 95 -0.294 -15.712 3.902 692 2HG LYS 95 2HG LYS 95 0.176 -14.017 3.791 693 1HD LYS 95 1HD LYS 95 -0.296 -14.250 6.074 694 2HD LYS 95 2HD LYS 95 -1.817 -13.619 5.439 695 1HE LYS 95 1HE LYS 95 -2.242 -15.549 6.927 696 2HE LYS 95 2HE LYS 95 -2.674 -15.964 5.257 697 1HZ LYS 95 1HZ LYS 95 0.080 -16.387 6.206 698 2HZ LYS 95 2HZ LYS 95 -0.759 -17.182 4.961 699 3HZ LYS 95 3HZ LYS 95 -1.112 -17.532 6.586 700 H GLU 96 H GLU 96 0.867 -12.485 2.668 701 HA GLU 96 HA GLU 96 0.364 -10.741 5.021 702 1HB GLU 96 1HB GLU 96 2.753 -11.012 5.328 703 2HB GLU 96 2HB GLU 96 2.098 -12.582 4.906 704 1HG GLU 96 1HG GLU 96 2.800 -12.296 2.610 705 2HG GLU 96 2HG GLU 96 3.358 -10.659 2.954 706 H LEU 97 H LEU 97 1.872 -10.677 1.829 707 HA LEU 97 HA LEU 97 2.493 -7.827 1.902 708 1HB LEU 97 1HB LEU 97 2.393 -9.870 -0.328 709 2HB LEU 97 2HB LEU 97 3.178 -8.293 -0.420 710 HG LEU 97 HG LEU 97 3.936 -10.645 1.315 711 1HD1 LEU 97 1HD1 LEU 97 4.977 -10.729 -0.808 712 2HD1 LEU 97 2HD1 LEU 97 6.187 -10.022 0.262 713 3HD1 LEU 97 3HD1 LEU 97 5.258 -8.990 -0.826 714 1HD2 LEU 97 1HD2 LEU 97 5.769 -8.757 1.952 715 2HD2 LEU 97 2HD2 LEU 97 4.317 -9.039 2.912 716 3HD2 LEU 97 3HD2 LEU 97 4.353 -7.730 1.731 717 H THR 98 H THR 98 0.370 -9.671 -0.313 718 HA THR 98 HA THR 98 -1.177 -7.205 -0.827 719 HB THR 98 HB THR 98 -2.263 -8.739 -2.515 720 HG1 THR 98 1HG THR 98 -0.935 -10.726 -2.767 721 1HG2 THR 98 1HG2 THR 98 0.164 -7.467 -2.572 722 2HG2 THR 98 2HG2 THR 98 -0.577 -8.255 -3.964 723 3HG2 THR 98 3HG2 THR 98 0.622 -9.116 -2.997 724 H GLY 99 H GLY 99 -1.443 -10.089 1.074 725 1HA GLY 99 1HA GLY 99 -4.189 -10.525 1.231 726 2HA GLY 99 2HA GLY 99 -3.117 -10.671 2.626 727 H CYS 100 H CYS 100 -5.859 -9.208 1.754 728 HA CYS 100 HA CYS 100 -5.341 -6.500 2.723 729 1HB CYS 100 1HB CYS 100 -8.095 -7.507 2.771 730 2HB CYS 100 2HB CYS 100 -7.450 -6.102 1.968 731 H LYS 101 H LYS 101 -7.516 -9.043 3.938 732 HA LYS 101 HA LYS 101 -7.151 -7.917 6.666 733 1HB LYS 101 1HB LYS 101 -9.091 -9.952 5.513 734 2HB LYS 101 2HB LYS 101 -9.172 -9.280 7.143 735 1HG LYS 101 1HG LYS 101 -9.355 -6.994 6.136 736 2HG LYS 101 2HG LYS 101 -9.435 -7.745 4.542 737 1HD LYS 101 1HD LYS 101 -11.410 -9.094 5.398 738 2HD LYS 101 2HD LYS 101 -11.400 -8.054 6.823 739 1HE LYS 101 1HE LYS 101 -11.445 -6.087 5.095 740 2HE LYS 101 2HE LYS 101 -12.030 -7.326 3.968 741 1HZ LYS 101 1HZ LYS 101 -13.996 -6.775 4.942 742 2HZ LYS 101 2HZ LYS 101 -13.278 -6.298 6.407 743 3HZ LYS 101 3HZ LYS 101 -13.488 -7.947 6.057 744 H GLY 102 H GLY 102 -5.476 -8.862 7.778 745 1HA GLY 102 1HA GLY 102 -4.816 -10.872 9.062 746 2HA GLY 102 2HA GLY 102 -5.252 -11.840 7.653 747 H SER 103 H SER 103 -3.839 -9.223 6.327 748 HA SER 103 HA SER 103 -1.320 -10.641 5.841 749 1HB SER 103 1HB SER 103 -0.976 -8.753 4.294 750 2HB SER 103 2HB SER 103 -2.587 -9.426 4.100 751 HG SER 103 HG SER 103 -3.421 -7.643 4.880 752 H LYS 104 H LYS 104 0.259 -8.221 5.563 753 HA LYS 104 HA LYS 104 0.988 -7.785 8.426 754 1HB LYS 104 1HB LYS 104 2.361 -7.372 5.752 755 2HB LYS 104 2HB LYS 104 3.099 -6.984 7.304 756 1HG LYS 104 1HG LYS 104 1.959 -9.722 6.975 757 2HG LYS 104 2HG LYS 104 3.474 -9.364 6.145 758 1HD LYS 104 1HD LYS 104 3.923 -8.278 8.630 759 2HD LYS 104 2HD LYS 104 2.947 -9.694 9.022 760 1HE LYS 104 1HE LYS 104 4.505 -11.083 7.606 761 2HE LYS 104 2HE LYS 104 5.543 -9.651 7.448 762 1HZ LYS 104 1HZ LYS 104 5.175 -9.564 10.025 763 2HZ LYS 104 2HZ LYS 104 6.391 -10.545 9.358 764 3HZ LYS 104 3HZ LYS 104 4.912 -11.229 9.839 765 H CYS 105 H CYS 105 -0.087 -6.296 5.499 766 HA CYS 105 HA CYS 105 0.410 -3.539 6.278 767 1HB CYS 105 1HB CYS 105 -0.062 -5.035 3.995 768 2HB CYS 105 2HB CYS 105 -1.556 -4.154 4.201 769 H HIS 106 H HIS 106 -2.234 -5.830 6.628 770 HA HIS 106 HA HIS 106 -3.930 -3.636 7.785 771 1HB HIS 106 1HB HIS 106 -4.440 -5.959 5.984 772 2HB HIS 106 2HB HIS 106 -5.722 -5.517 7.111 773 HD1 HIS 106 HD1 HIS 106 -5.125 -2.418 7.063 774 HD2 HIS 106 HD2 HIS 106 -5.660 -4.818 3.676 775 HE1 HIS 106 HE1 HIS 106 -5.719 -0.852 5.171 776 H SER 107 H SER 107 -3.028 -4.054 9.930 777 HA SER 107 HA SER 107 -2.928 -6.637 11.166 778 1HB SER 107 1HB SER 107 -3.109 -3.780 12.131 779 2HB SER 107 2HB SER 107 -3.008 -5.125 13.264 780 HG SER 107 HG SER 107 -1.184 -4.543 11.162 781 HHA HEC 201 HHA HEC 201 5.984 8.557 5.694 782 HHB HEC 201 HHB HEC 201 12.086 9.789 4.830 783 HHC HEC 201 HHC HEC 201 12.609 4.680 1.121 784 HHD HEC 201 HHD HEC 201 6.482 3.587 1.778 785 1HMA HEC 201 1HMA HEC 201 11.306 10.573 7.023 786 2HMA HEC 201 2HMA HEC 201 9.781 10.869 7.864 787 3HMA HEC 201 3HMA HEC 201 10.257 11.895 6.508 788 1HAA HEC 201 1HAA HEC 201 6.516 9.677 7.282 789 2HAA HEC 201 2HAA HEC 201 7.828 10.667 7.918 790 1HBA HEC 201 1HBA HEC 201 6.738 11.511 5.298 791 2HBA HEC 201 2HBA HEC 201 5.653 11.702 6.676 792 1HMB HEC 201 1HMB HEC 201 15.176 8.224 4.401 793 2HMB HEC 201 2HMB HEC 201 14.919 9.244 2.984 794 3HMB HEC 201 3HMB HEC 201 14.048 9.578 4.482 795 HAB HEC 201 HAB HEC 201 14.466 5.466 1.291 796 1HBB HEC 201 1HBB HEC 201 15.890 4.711 2.865 797 2HBB HEC 201 2HBB HEC 201 15.342 5.947 3.998 798 3HBB HEC 201 3HBB HEC 201 16.658 6.299 2.877 799 1HMC HEC 201 1HMC HEC 201 11.528 1.658 0.551 800 2HMC HEC 201 2HMC HEC 201 10.891 2.369 -0.933 801 3HMC HEC 201 3HMC HEC 201 12.227 3.148 -0.085 802 HAC HEC 201 HAC HEC 201 7.188 2.141 0.622 803 1HBC HEC 201 1HBC HEC 201 8.211 0.111 -0.402 804 2HBC HEC 201 2HBC HEC 201 8.766 0.383 1.248 805 3HBC HEC 201 3HBC HEC 201 9.806 0.803 -0.111 806 1HMD HEC 201 1HMD HEC 201 4.663 3.338 3.044 807 2HMD HEC 201 2HMD HEC 201 3.824 4.015 4.438 808 3HMD HEC 201 3HMD HEC 201 3.438 4.587 2.813 809 1HAD HEC 201 1HAD HEC 201 4.252 7.863 5.576 810 2HAD HEC 201 2HAD HEC 201 3.258 7.344 4.220 811 1HBD HEC 201 1HBD HEC 201 2.743 5.268 5.261 812 2HBD HEC 201 2HBD HEC 201 4.021 5.470 6.460 813 HHA HEC 202 HHA HEC 202 1.422 7.611 -9.509 814 HHB HEC 202 HHB HEC 202 2.777 4.136 -4.754 815 HHC HEC 202 HHC HEC 202 4.468 9.048 -1.283 816 HHD HEC 202 HHD HEC 202 2.784 12.901 -5.921 817 1HMA HEC 202 1HMA HEC 202 0.952 3.240 -5.774 818 2HMA HEC 202 2HMA HEC 202 1.949 2.771 -7.151 819 3HMA HEC 202 3HMA HEC 202 0.280 3.278 -7.404 820 1HAA HEC 202 1HAA HEC 202 1.056 5.046 -9.965 821 2HAA HEC 202 2HAA HEC 202 -0.108 4.377 -8.855 822 1HBA HEC 202 1HBA HEC 202 -1.569 6.025 -9.242 823 2HBA HEC 202 2HBA HEC 202 -0.338 7.264 -9.019 824 1HMB HEC 202 1HMB HEC 202 4.833 3.791 -1.728 825 2HMB HEC 202 2HMB HEC 202 3.081 3.655 -1.872 826 3HMB HEC 202 3HMB HEC 202 4.106 3.364 -3.277 827 HAB HEC 202 HAB HEC 202 4.222 7.069 0.072 828 1HBB HEC 202 1HBB HEC 202 6.617 6.283 -1.309 829 2HBB HEC 202 2HBB HEC 202 6.388 5.222 0.080 830 3HBB HEC 202 3HBB HEC 202 6.465 6.969 0.309 831 1HMC HEC 202 1HMC HEC 202 5.200 12.871 -1.477 832 2HMC HEC 202 2HMC HEC 202 3.934 12.007 -0.605 833 3HMC HEC 202 3HMC HEC 202 5.450 11.193 -0.993 834 HAC HEC 202 HAC HEC 202 2.240 13.816 -3.778 835 1HBC HEC 202 1HBC HEC 202 4.897 14.654 -2.627 836 2HBC HEC 202 2HBC HEC 202 3.646 13.960 -1.596 837 3HBC HEC 202 3HBC HEC 202 3.334 15.454 -2.480 838 1HMD HEC 202 1HMD HEC 202 2.856 13.449 -8.506 839 2HMD HEC 202 2HMD HEC 202 1.097 13.333 -8.433 840 3HMD HEC 202 3HMD HEC 202 1.951 12.877 -9.909 841 1HAD HEC 202 1HAD HEC 202 1.733 9.123 -10.802 842 2HAD HEC 202 2HAD HEC 202 1.022 10.717 -10.958 843 1HBD HEC 202 1HBD HEC 202 3.723 11.249 -10.573 844 2HBD HEC 202 2HBD HEC 202 3.720 9.814 -11.601 845 HHA HEC 203 HHA HEC 203 7.141 -6.888 4.601 846 HHB HEC 203 HHB HEC 203 2.826 -2.061 4.856 847 HHC HEC 203 HHC HEC 203 4.767 -0.004 -0.534 848 HHD HEC 203 HHD HEC 203 9.073 -4.558 -0.939 849 1HMA HEC 203 1HMA HEC 203 3.139 -5.050 7.491 850 2HMA HEC 203 2HMA HEC 203 2.310 -3.817 6.540 851 3HMA HEC 203 3HMA HEC 203 3.643 -3.362 7.602 852 1HAA HEC 203 1HAA HEC 203 4.891 -6.114 7.687 853 2HAA HEC 203 2HAA HEC 203 4.694 -7.316 6.419 854 1HBA HEC 203 1HBA HEC 203 6.918 -7.780 6.339 855 2HBA HEC 203 2HBA HEC 203 7.375 -6.087 6.532 856 1HMB HEC 203 1HMB HEC 203 1.522 0.915 3.397 857 2HMB HEC 203 2HMB HEC 203 1.509 -0.553 4.374 858 3HMB HEC 203 3HMB HEC 203 2.621 0.759 4.767 859 HAB HEC 203 HAB HEC 203 2.909 0.838 0.015 860 1HBB HEC 203 1HBB HEC 203 4.667 2.376 1.577 861 2HBB HEC 203 2HBB HEC 203 3.118 3.209 1.698 862 3HBB HEC 203 3HBB HEC 203 3.834 2.910 0.116 863 1HMC HEC 203 1HMC HEC 203 7.412 0.116 -2.858 864 2HMC HEC 203 2HMC HEC 203 6.127 -0.858 -3.572 865 3HMC HEC 203 3HMC HEC 203 5.754 0.282 -2.280 866 HAC HEC 203 HAC HEC 203 9.300 -3.496 -2.574 867 1HBC HEC 203 1HBC HEC 203 8.327 -1.054 -4.064 868 2HBC HEC 203 2HBC HEC 203 9.914 -1.818 -4.143 869 3HBC HEC 203 3HBC HEC 203 9.434 -0.925 -2.702 870 1HMD HEC 203 1HMD HEC 203 9.960 -7.779 0.067 871 2HMD HEC 203 2HMD HEC 203 11.039 -6.831 1.090 872 3HMD HEC 203 3HMD HEC 203 10.379 -6.128 -0.387 873 1HAD HEC 203 1HAD HEC 203 10.177 -7.898 3.155 874 2HAD HEC 203 2HAD HEC 203 8.721 -7.967 4.142 875 1HBD HEC 203 1HBD HEC 203 7.645 -9.459 2.620 876 2HBD HEC 203 2HBD HEC 203 8.868 -9.185 1.379 877 HHA HEC 204 HHA HEC 204 -6.683 2.298 3.725 878 HHB HEC 204 HHB HEC 204 -9.976 -2.238 0.873 879 HHC HEC 204 HHC HEC 204 -4.702 -5.897 0.923 880 HHD HEC 204 HHD HEC 204 -1.389 -0.926 2.662 881 1HMA HEC 204 1HMA HEC 204 -11.588 0.554 2.467 882 2HMA HEC 204 2HMA HEC 204 -11.310 -0.747 1.308 883 3HMA HEC 204 3HMA HEC 204 -10.980 0.926 0.853 884 1HAA HEC 204 1HAA HEC 204 -10.119 2.299 3.935 885 2HAA HEC 204 2HAA HEC 204 -8.510 2.959 3.644 886 1HBA HEC 204 1HBA HEC 204 -9.060 3.185 1.236 887 2HBA HEC 204 2HBA HEC 204 -10.676 2.573 1.562 888 1HMB HEC 204 1HMB HEC 204 -9.617 -4.742 -1.601 889 2HMB HEC 204 2HMB HEC 204 -10.444 -3.873 -0.307 890 3HMB HEC 204 3HMB HEC 204 -10.102 -5.595 -0.137 891 HAB HEC 204 HAB HEC 204 -6.349 -6.976 0.248 892 1HBB HEC 204 1HBB HEC 204 -6.820 -7.564 -2.213 893 2HBB HEC 204 2HBB HEC 204 -5.603 -6.327 -1.895 894 3HBB HEC 204 3HBB HEC 204 -7.224 -5.858 -2.413 895 1HMC HEC 204 1HMC HEC 204 -1.449 -6.152 2.285 896 2HMC HEC 204 2HMC HEC 204 -2.930 -6.621 1.450 897 3HMC HEC 204 3HMC HEC 204 -1.535 -6.070 0.525 898 HAC HEC 204 HAC HEC 204 -0.302 -2.438 2.884 899 1HBC HEC 204 1HBC HEC 204 0.507 -4.339 0.659 900 2HBC HEC 204 2HBC HEC 204 1.530 -3.165 1.488 901 3HBC HEC 204 3HBC HEC 204 0.252 -2.612 0.407 902 1HMD HEC 204 1HMD HEC 204 -0.817 1.078 3.021 903 2HMD HEC 204 2HMD HEC 204 -1.441 2.691 3.368 904 3HMD HEC 204 3HMD HEC 204 -1.291 1.506 4.665 905 1HAD HEC 204 1HAD HEC 204 -3.549 3.888 3.610 906 2HAD HEC 204 2HAD HEC 204 -5.224 3.554 4.035 907 1HBD HEC 204 1HBD HEC 204 -4.059 2.275 6.067 908 2HBD HEC 204 2HBD HEC 204 -2.782 3.442 5.734 Start of MODEL 18 1 1H ALA 1 1H ALA 1 19.467 13.118 0.319 2 2H ALA 1 2H ALA 1 20.568 14.320 0.800 3 3H ALA 1 3H ALA 1 18.972 14.344 1.382 4 HA ALA 1 HA ALA 1 20.396 11.886 1.944 5 1HB ALA 1 1HB ALA 1 22.309 13.099 2.360 6 2HB ALA 1 2HB ALA 1 21.481 13.428 3.881 7 3HB ALA 1 3HB ALA 1 21.424 14.609 2.573 8 HA PRO 2 HA PRO 2 16.585 13.205 4.325 9 1HB PRO 2 1HB PRO 2 15.009 11.103 3.562 10 2HB PRO 2 2HB PRO 2 15.085 12.624 2.662 11 1HG PRO 2 1HG PRO 2 16.404 10.023 2.094 12 2HG PRO 2 2HG PRO 2 15.708 11.202 0.973 13 1HD PRO 2 1HD PRO 2 18.390 10.945 1.428 14 2HD PRO 2 2HD PRO 2 17.619 12.456 0.901 15 H LYS 3 H LYS 3 15.999 12.236 6.318 16 HA LYS 3 HA LYS 3 17.571 9.798 7.042 17 1HB LYS 3 1HB LYS 3 16.131 11.718 8.864 18 2HB LYS 3 2HB LYS 3 17.454 10.624 9.260 19 1HG LYS 3 1HG LYS 3 18.982 11.915 7.832 20 2HG LYS 3 2HG LYS 3 17.663 12.998 7.384 21 1HD LYS 3 1HD LYS 3 17.679 14.079 9.406 22 2HD LYS 3 2HD LYS 3 18.141 12.627 10.296 23 1HE LYS 3 1HE LYS 3 20.452 12.823 9.357 24 2HE LYS 3 2HE LYS 3 19.972 14.348 8.586 25 1HZ LYS 3 1HZ LYS 3 19.126 14.980 10.892 26 2HZ LYS 3 2HZ LYS 3 20.808 15.003 10.650 27 3HZ LYS 3 3HZ LYS 3 20.083 13.704 11.470 28 H ALA 4 H ALA 4 16.014 8.348 6.113 29 HA ALA 4 HA ALA 4 13.284 8.156 6.333 30 1HB ALA 4 1HB ALA 4 13.757 6.054 5.628 31 2HB ALA 4 2HB ALA 4 14.540 5.660 7.159 32 3HB ALA 4 3HB ALA 4 15.460 6.443 5.873 33 HA PRO 5 HA PRO 5 12.545 8.329 10.669 34 1HB PRO 5 1HB PRO 5 9.887 7.662 10.611 35 2HB PRO 5 2HB PRO 5 10.510 9.265 10.184 36 1HG PRO 5 1HG PRO 5 9.557 7.083 8.425 37 2HG PRO 5 2HG PRO 5 9.503 8.834 8.195 38 1HD PRO 5 1HD PRO 5 11.319 7.116 6.988 39 2HD PRO 5 2HD PRO 5 11.509 8.874 7.143 40 H ALA 6 H ALA 6 11.919 6.876 12.431 41 HA ALA 6 HA ALA 6 12.983 4.283 12.268 42 1HB ALA 6 1HB ALA 6 12.524 5.660 14.308 43 2HB ALA 6 2HB ALA 6 11.924 4.008 14.456 44 3HB ALA 6 3HB ALA 6 10.804 5.325 14.106 45 H ASP 7 H ASP 7 11.564 2.294 12.860 46 HA ASP 7 HA ASP 7 9.608 1.909 10.701 47 1HB ASP 7 1HB ASP 7 10.432 -0.004 12.891 48 2HB ASP 7 2HB ASP 7 9.893 -0.387 11.261 49 H GLY 8 H GLY 8 7.466 1.010 11.220 50 1HA GLY 8 1HA GLY 8 5.644 0.578 12.753 51 2HA GLY 8 2HA GLY 8 6.483 1.543 13.967 52 H LEU 9 H LEU 9 6.414 2.901 10.805 53 HA LEU 9 HA LEU 9 5.000 5.244 11.654 54 1HB LEU 9 1HB LEU 9 6.428 4.306 9.403 55 2HB LEU 9 2HB LEU 9 4.823 4.736 8.806 56 HG LEU 9 HG LEU 9 6.071 6.639 10.713 57 1HD1 LEU 9 1HD1 LEU 9 7.157 5.992 7.983 58 2HD1 LEU 9 2HD1 LEU 9 8.037 6.362 9.468 59 3HD1 LEU 9 3HD1 LEU 9 7.224 7.652 8.580 60 1HD2 LEU 9 1HD2 LEU 9 4.772 7.154 8.029 61 2HD2 LEU 9 2HD2 LEU 9 4.912 8.255 9.398 62 3HD2 LEU 9 3HD2 LEU 9 3.815 6.872 9.487 63 H LYS 10 H LYS 10 2.823 5.565 11.797 64 HA LYS 10 HA LYS 10 1.055 3.363 10.827 65 1HB LYS 10 1HB LYS 10 1.115 5.268 13.071 66 2HB LYS 10 2HB LYS 10 -0.480 5.027 12.359 67 1HG LYS 10 1HG LYS 10 0.098 2.493 12.478 68 2HG LYS 10 2HG LYS 10 1.331 2.991 13.638 69 1HD LYS 10 1HD LYS 10 -0.333 3.998 15.077 70 2HD LYS 10 2HD LYS 10 -1.596 3.737 13.874 71 1HE LYS 10 1HE LYS 10 -1.898 1.575 14.520 72 2HE LYS 10 2HE LYS 10 -0.150 1.273 14.590 73 1HZ LYS 10 1HZ LYS 10 -0.065 2.564 16.650 74 2HZ LYS 10 2HZ LYS 10 -1.090 1.219 16.809 75 3HZ LYS 10 3HZ LYS 10 -1.747 2.772 16.601 76 H MET 11 H MET 11 0.271 3.767 8.827 77 HA MET 11 HA MET 11 -0.273 6.520 7.899 78 1HB MET 11 1HB MET 11 0.328 3.948 6.788 79 2HB MET 11 2HB MET 11 -1.244 4.445 6.161 80 1HG MET 11 1HG MET 11 1.384 5.927 5.955 81 2HG MET 11 2HG MET 11 0.374 5.333 4.642 82 1HE MET 11 1HE MET 11 0.329 8.879 3.981 83 2HE MET 11 2HE MET 11 -0.847 7.775 3.273 84 3HE MET 11 3HE MET 11 0.789 7.213 3.604 85 H ASP 12 H ASP 12 -2.047 7.167 9.225 86 HA ASP 12 HA ASP 12 -4.456 5.396 9.203 87 1HB ASP 12 1HB ASP 12 -5.143 7.170 10.967 88 2HB ASP 12 2HB ASP 12 -3.853 6.044 11.370 89 H LYS 13 H LYS 13 -3.534 7.214 6.954 90 HA LYS 13 HA LYS 13 -5.116 9.517 6.649 91 1HB LYS 13 1HB LYS 13 -4.188 7.340 4.767 92 2HB LYS 13 2HB LYS 13 -4.955 8.816 4.193 93 1HG LYS 13 1HG LYS 13 -2.510 8.761 5.981 94 2HG LYS 13 2HG LYS 13 -2.443 8.941 4.228 95 1HD LYS 13 1HD LYS 13 -3.829 10.982 4.388 96 2HD LYS 13 2HD LYS 13 -3.882 10.801 6.143 97 1HE LYS 13 1HE LYS 13 -1.291 11.055 4.578 98 2HE LYS 13 2HE LYS 13 -2.113 12.425 5.352 99 1HZ LYS 13 1HZ LYS 13 -2.167 10.986 7.412 100 2HZ LYS 13 2HZ LYS 13 -0.644 11.596 6.971 101 3HZ LYS 13 3HZ LYS 13 -1.044 9.979 6.637 102 H THR 14 H THR 14 -5.987 6.126 6.403 103 HA THR 14 HA THR 14 -8.831 6.904 5.816 104 HB THR 14 HB THR 14 -8.909 4.509 4.928 105 HG1 THR 14 1HG THR 14 -7.209 3.425 5.485 106 1HG2 THR 14 1HG2 THR 14 -7.906 5.119 2.813 107 2HG2 THR 14 2HG2 THR 14 -6.901 6.341 3.595 108 3HG2 THR 14 3HG2 THR 14 -8.649 6.562 3.507 109 H LYS 15 H LYS 15 -10.342 5.001 6.641 110 HA LYS 15 HA LYS 15 -10.214 4.928 9.498 111 1HB LYS 15 1HB LYS 15 -11.846 3.885 7.285 112 2HB LYS 15 2HB LYS 15 -11.856 2.843 8.710 113 1HG LYS 15 1HG LYS 15 -13.196 4.277 9.809 114 2HG LYS 15 2HG LYS 15 -12.071 5.605 9.519 115 1HD LYS 15 1HD LYS 15 -13.044 5.764 7.175 116 2HD LYS 15 2HD LYS 15 -14.305 4.653 7.713 117 1HE LYS 15 1HE LYS 15 -14.804 6.266 9.604 118 2HE LYS 15 2HE LYS 15 -13.704 7.416 8.817 119 1HZ LYS 15 1HZ LYS 15 -15.991 7.713 8.048 120 2HZ LYS 15 2HZ LYS 15 -16.034 6.099 7.520 121 3HZ LYS 15 3HZ LYS 15 -14.980 7.211 6.782 122 H GLN 16 H GLN 16 -8.811 2.902 7.040 123 HA GLN 16 HA GLN 16 -8.108 0.810 9.058 124 1HB GLN 16 1HB GLN 16 -8.136 0.963 6.031 125 2HB GLN 16 2HB GLN 16 -7.425 -0.397 6.901 126 1HG GLN 16 1HG GLN 16 -9.810 -0.252 8.166 127 2HG GLN 16 2HG GLN 16 -10.280 0.359 6.579 128 1HE2 GLN 16 2HE2 GLN 16 -8.331 -1.218 5.056 129 2HE2 GLN 16 1HE2 GLN 16 -8.836 -2.836 5.133 130 HA PRO 17 HA PRO 17 -4.343 3.454 8.642 131 1HB PRO 17 1HB PRO 17 -3.571 3.129 11.254 132 2HB PRO 17 2HB PRO 17 -4.707 4.386 10.723 133 1HG PRO 17 1HG PRO 17 -5.273 1.729 11.958 134 2HG PRO 17 2HG PRO 17 -6.017 3.303 12.285 135 1HD PRO 17 1HD PRO 17 -7.222 1.447 10.747 136 2HD PRO 17 2HD PRO 17 -7.391 3.190 10.433 137 H VAL 18 H VAL 18 -2.558 2.461 7.825 138 HA VAL 18 HA VAL 18 -1.892 -0.301 8.764 139 HB VAL 18 HB VAL 18 -1.559 1.237 6.182 140 1HG1 VAL 18 1HG1 VAL 18 -0.407 -1.500 6.761 141 2HG1 VAL 18 2HG1 VAL 18 0.548 -0.020 6.837 142 3HG1 VAL 18 3HG1 VAL 18 -0.181 -0.522 5.312 143 1HG2 VAL 18 1HG2 VAL 18 -3.169 -1.048 7.196 144 2HG2 VAL 18 2HG2 VAL 18 -2.549 -1.207 5.553 145 3HG2 VAL 18 3HG2 VAL 18 -3.576 0.162 5.979 146 H VAL 19 H VAL 19 0.104 -0.591 9.722 147 HA VAL 19 HA VAL 19 1.789 1.775 10.183 148 HB VAL 19 HB VAL 19 1.906 -1.130 11.048 149 1HG1 VAL 19 1HG1 VAL 19 3.633 -0.480 12.604 150 2HG1 VAL 19 2HG1 VAL 19 3.472 1.217 12.153 151 3HG1 VAL 19 3HG1 VAL 19 4.139 0.060 11.003 152 1HG2 VAL 19 1HG2 VAL 19 1.369 1.165 12.887 153 2HG2 VAL 19 2HG2 VAL 19 0.753 -0.486 12.946 154 3HG2 VAL 19 3HG2 VAL 19 0.072 0.668 11.800 155 H PHE 20 H PHE 20 3.537 2.259 8.869 156 HA PHE 20 HA PHE 20 4.519 0.130 7.019 157 1HB PHE 20 1HB PHE 20 3.772 2.276 6.050 158 2HB PHE 20 2HB PHE 20 4.928 3.144 7.058 159 HD1 PHE 20 HD1 PHE 20 4.914 0.164 4.781 160 HD2 PHE 20 HD2 PHE 20 6.950 3.727 6.045 161 HE1 PHE 20 HE1 PHE 20 6.695 -0.259 3.111 162 HE2 PHE 20 HE2 PHE 20 8.725 3.301 4.369 163 HZ PHE 20 HZ PHE 20 8.601 1.309 2.905 164 H ASN 21 H ASN 21 6.297 -0.951 7.790 165 HA ASN 21 HA ASN 21 8.121 0.384 9.701 166 1HB ASN 21 1HB ASN 21 7.128 -2.245 9.111 167 2HB ASN 21 2HB ASN 21 8.882 -2.259 8.989 168 1HD2 ASN 21 2HD2 ASN 21 6.516 -0.640 11.184 169 2HD2 ASN 21 1HD2 ASN 21 7.309 -1.099 12.614 170 H HIS 22 H HIS 22 9.372 1.804 8.375 171 HA HIS 22 HA HIS 22 10.356 1.387 5.793 172 1HB HIS 22 1HB HIS 22 11.334 2.786 8.263 173 2HB HIS 22 2HB HIS 22 12.385 2.730 6.849 174 HD1 HIS 22 HD1 HIS 22 9.590 4.568 8.273 175 HD2 HIS 22 HD2 HIS 22 10.976 3.826 4.408 176 HE1 HIS 22 HE1 HIS 22 8.597 6.367 6.800 177 H SER 23 H SER 23 11.549 0.054 8.857 178 HA SER 23 HA SER 23 14.053 -0.964 8.125 179 1HB SER 23 1HB SER 23 13.238 -2.894 9.722 180 2HB SER 23 2HB SER 23 13.382 -1.257 10.353 181 HG SER 23 HG SER 23 11.368 -2.067 10.897 182 H THR 24 H THR 24 10.831 -2.330 7.467 183 HA THR 24 HA THR 24 11.863 -4.694 6.110 184 HB THR 24 HB THR 24 9.148 -3.894 5.442 185 HG1 THR 24 1HG THR 24 9.869 -3.938 8.184 186 1HG2 THR 24 1HG2 THR 24 9.194 -6.150 5.527 187 2HG2 THR 24 2HG2 THR 24 9.056 -5.969 7.276 188 3HG2 THR 24 3HG2 THR 24 10.644 -6.159 6.531 189 H HIS 25 H HIS 25 11.715 -1.444 5.271 190 HA HIS 25 HA HIS 25 11.638 -2.090 2.355 191 1HB HIS 25 1HB HIS 25 10.779 0.386 3.876 192 2HB HIS 25 2HB HIS 25 10.617 0.133 2.143 193 HD1 HIS 25 HD1 HIS 25 9.246 -1.025 5.439 194 HD2 HIS 25 HD2 HIS 25 8.544 -1.654 1.382 195 HE1 HIS 25 HE1 HIS 25 7.078 -2.321 5.282 196 H LYS 26 H LYS 26 13.545 -0.954 4.932 197 HA LYS 26 HA LYS 26 15.086 1.148 3.912 198 1HB LYS 26 1HB LYS 26 16.870 0.180 5.350 199 2HB LYS 26 2HB LYS 26 15.301 0.137 6.152 200 1HG LYS 26 1HG LYS 26 15.056 -2.235 5.210 201 2HG LYS 26 2HG LYS 26 16.776 -2.144 4.832 202 1HD LYS 26 1HD LYS 26 16.014 -1.321 7.578 203 2HD LYS 26 2HD LYS 26 15.833 -3.037 7.211 204 1HE LYS 26 1HE LYS 26 18.091 -3.367 7.118 205 2HE LYS 26 2HE LYS 26 18.364 -1.845 6.245 206 1HZ LYS 26 1HZ LYS 26 19.239 -1.627 8.457 207 2HZ LYS 26 2HZ LYS 26 17.777 -2.150 9.143 208 3HZ LYS 26 3HZ LYS 26 17.853 -0.659 8.332 209 H ALA 27 H ALA 27 14.924 -2.166 2.850 210 HA ALA 27 HA ALA 27 17.385 -1.932 1.210 211 1HB ALA 27 1HB ALA 27 17.173 -4.269 1.011 212 2HB ALA 27 2HB ALA 27 15.423 -4.220 1.230 213 3HB ALA 27 3HB ALA 27 16.493 -3.961 2.608 214 H VAL 28 H VAL 28 14.186 -1.023 0.931 215 HA VAL 28 HA VAL 28 13.767 -1.785 -1.880 216 HB VAL 28 HB VAL 28 12.308 -0.063 0.138 217 1HG1 VAL 28 1HG1 VAL 28 11.518 -0.818 -2.686 218 2HG1 VAL 28 2HG1 VAL 28 11.816 0.810 -2.076 219 3HG1 VAL 28 3HG1 VAL 28 10.426 -0.106 -1.499 220 1HG2 VAL 28 1HG2 VAL 28 10.953 -1.906 0.517 221 2HG2 VAL 28 2HG2 VAL 28 12.482 -2.712 0.168 222 3HG2 VAL 28 3HG2 VAL 28 11.248 -2.579 -1.086 223 H LYS 29 H LYS 29 13.075 0.177 -3.349 224 HA LYS 29 HA LYS 29 15.351 2.063 -3.313 225 1HB LYS 29 1HB LYS 29 13.630 0.821 -5.240 226 2HB LYS 29 2HB LYS 29 13.523 2.574 -5.413 227 1HG LYS 29 1HG LYS 29 15.377 2.119 -6.740 228 2HG LYS 29 2HG LYS 29 16.138 2.468 -5.186 229 1HD LYS 29 1HD LYS 29 16.871 0.340 -4.944 230 2HD LYS 29 2HD LYS 29 15.331 -0.339 -5.473 231 1HE LYS 29 1HE LYS 29 16.038 -0.560 -7.638 232 2HE LYS 29 2HE LYS 29 16.914 0.984 -7.606 233 1HZ LYS 29 1HZ LYS 29 18.365 -0.302 -5.868 234 2HZ LYS 29 2HZ LYS 29 18.661 -0.469 -7.532 235 3HZ LYS 29 3HZ LYS 29 17.789 -1.665 -6.697 236 H CYS 30 H CYS 30 14.980 3.681 -1.895 237 HA CYS 30 HA CYS 30 12.614 4.800 -0.948 238 1HB CYS 30 1HB CYS 30 15.280 6.047 -1.671 239 2HB CYS 30 2HB CYS 30 14.032 6.927 -0.791 240 H GLY 31 H GLY 31 14.006 5.063 -4.127 241 1HA GLY 31 1HA GLY 31 12.278 7.314 -4.912 242 2HA GLY 31 2HA GLY 31 13.428 6.477 -5.959 243 H ASP 32 H ASP 32 12.073 3.887 -4.765 244 HA ASP 32 HA ASP 32 10.188 3.583 -6.990 245 1HB ASP 32 1HB ASP 32 11.817 1.964 -5.401 246 2HB ASP 32 2HB ASP 32 10.185 1.531 -4.900 247 H CYS 33 H CYS 33 10.093 4.242 -3.554 248 HA CYS 33 HA CYS 33 7.117 4.039 -3.485 249 1HB CYS 33 1HB CYS 33 9.393 4.190 -1.523 250 2HB CYS 33 2HB CYS 33 7.793 4.702 -0.993 251 H HIS 34 H HIS 34 9.690 6.331 -2.490 252 HA HIS 34 HA HIS 34 7.825 8.622 -2.677 253 1HB HIS 34 1HB HIS 34 10.736 8.232 -1.913 254 2HB HIS 34 2HB HIS 34 9.958 9.809 -1.932 255 HD1 HIS 34 HD1 HIS 34 7.500 9.703 -0.477 256 HD2 HIS 34 HD2 HIS 34 10.583 7.105 0.579 257 HE1 HIS 34 HE1 HIS 34 7.041 8.968 1.907 258 H HIS 35 H HIS 35 8.378 7.202 -5.153 259 HA HIS 35 HA HIS 35 10.350 7.894 -6.865 260 1HB HIS 35 1HB HIS 35 8.526 8.126 -8.599 261 2HB HIS 35 2HB HIS 35 8.373 6.717 -7.567 262 HD1 HIS 35 HD1 HIS 35 7.053 10.199 -7.915 263 HD2 HIS 35 HD2 HIS 35 6.010 6.621 -6.084 264 HE1 HIS 35 HE1 HIS 35 4.715 10.531 -7.012 265 HA PRO 36 HA PRO 36 10.804 12.219 -7.283 266 1HB PRO 36 1HB PRO 36 11.074 12.549 -9.995 267 2HB PRO 36 2HB PRO 36 12.346 11.857 -8.966 268 1HG PRO 36 1HG PRO 36 10.353 10.469 -10.697 269 2HG PRO 36 2HG PRO 36 12.073 10.122 -10.457 270 1HD PRO 36 1HD PRO 36 10.128 8.696 -9.244 271 2HD PRO 36 2HD PRO 36 11.708 8.986 -8.484 272 H VAL 37 H VAL 37 9.232 13.760 -7.109 273 HA VAL 37 HA VAL 37 6.773 13.467 -8.791 274 HB VAL 37 HB VAL 37 7.382 14.284 -5.973 275 1HG1 VAL 37 1HG1 VAL 37 5.123 15.346 -7.672 276 2HG1 VAL 37 2HG1 VAL 37 6.189 16.234 -6.583 277 3HG1 VAL 37 3HG1 VAL 37 4.947 15.168 -5.926 278 1HG2 VAL 37 1HG2 VAL 37 6.278 12.358 -5.616 279 2HG2 VAL 37 2HG2 VAL 37 6.023 12.178 -7.352 280 3HG2 VAL 37 3HG2 VAL 37 4.839 13.044 -6.371 281 H ASN 38 H ASN 38 9.412 15.004 -9.252 282 HA ASN 38 HA ASN 38 8.369 17.233 -10.684 283 1HB ASN 38 1HB ASN 38 7.894 17.779 -8.187 284 2HB ASN 38 2HB ASN 38 9.613 18.057 -8.056 285 1HD2 ASN 38 2HD2 ASN 38 7.119 19.955 -8.127 286 2HD2 ASN 38 1HD2 ASN 38 7.586 21.148 -9.241 287 H GLY 39 H GLY 39 11.050 17.709 -8.496 288 1HA GLY 39 1HA GLY 39 12.955 17.155 -10.728 289 2HA GLY 39 2HA GLY 39 13.188 18.480 -9.577 290 H LYS 40 H LYS 40 11.765 16.111 -7.838 291 HA LYS 40 HA LYS 40 14.106 14.398 -7.337 292 1HB LYS 40 1HB LYS 40 14.348 15.249 -4.999 293 2HB LYS 40 2HB LYS 40 14.713 16.488 -6.201 294 1HG LYS 40 1HG LYS 40 11.935 16.660 -5.766 295 2HG LYS 40 2HG LYS 40 12.653 16.482 -4.164 296 1HD LYS 40 1HD LYS 40 13.779 18.426 -6.180 297 2HD LYS 40 2HD LYS 40 12.449 18.878 -5.113 298 1HE LYS 40 1HE LYS 40 14.026 17.903 -3.224 299 2HE LYS 40 2HE LYS 40 15.300 18.246 -4.412 300 1HZ LYS 40 1HZ LYS 40 14.604 20.145 -2.881 301 2HZ LYS 40 2HZ LYS 40 13.178 20.213 -3.801 302 3HZ LYS 40 3HZ LYS 40 14.684 20.479 -4.542 303 H GLU 41 H GLU 41 13.541 13.103 -5.163 304 HA GLU 41 HA GLU 41 10.796 12.066 -5.531 305 1HB GLU 41 1HB GLU 41 13.306 11.237 -4.090 306 2HB GLU 41 2HB GLU 41 11.784 10.393 -3.816 307 1HG GLU 41 1HG GLU 41 11.851 9.379 -5.850 308 2HG GLU 41 2HG GLU 41 12.411 10.845 -6.656 309 H ASP 42 H ASP 42 9.191 13.024 -4.321 310 HA ASP 42 HA ASP 42 9.618 14.667 -2.030 311 1HB ASP 42 1HB ASP 42 7.313 13.134 -3.207 312 2HB ASP 42 2HB ASP 42 7.121 13.979 -1.670 313 H TYR 43 H TYR 43 10.759 13.771 -0.327 314 HA TYR 43 HA TYR 43 10.364 10.988 0.504 315 1HB TYR 43 1HB TYR 43 11.924 13.336 1.633 316 2HB TYR 43 2HB TYR 43 12.042 11.686 2.240 317 HD1 TYR 43 HD1 TYR 43 12.274 9.892 0.153 318 HD2 TYR 43 HD2 TYR 43 13.635 13.968 0.198 319 HE1 TYR 43 HE1 TYR 43 13.928 9.361 -1.615 320 HE2 TYR 43 HE2 TYR 43 15.289 13.436 -1.571 321 HH TYR 43 HH TYR 43 16.078 11.882 -2.939 322 H GLN 44 H GLN 44 7.870 11.931 0.749 323 HA GLN 44 HA GLN 44 7.540 12.417 3.690 324 1HB GLN 44 1HB GLN 44 5.606 13.926 2.942 325 2HB GLN 44 2HB GLN 44 7.228 14.538 2.616 326 1HG GLN 44 1HG GLN 44 7.104 13.733 0.309 327 2HG GLN 44 2HG GLN 44 5.516 13.032 0.618 328 1HE2 GLN 44 2HE2 GLN 44 6.708 16.211 1.767 329 2HE2 GLN 44 1HE2 GLN 44 5.551 17.124 0.926 330 H LYS 45 H LYS 45 5.266 11.865 4.398 331 HA LYS 45 HA LYS 45 4.496 9.268 3.972 332 1HB LYS 45 1HB LYS 45 3.047 11.800 4.636 333 2HB LYS 45 2HB LYS 45 2.106 10.325 4.419 334 1HG LYS 45 1HG LYS 45 3.165 9.232 6.207 335 2HG LYS 45 2HG LYS 45 4.547 10.328 6.179 336 1HD LYS 45 1HD LYS 45 2.707 12.150 6.725 337 2HD LYS 45 2HD LYS 45 1.815 10.755 7.332 338 1HE LYS 45 1HE LYS 45 4.405 10.399 8.342 339 2HE LYS 45 2HE LYS 45 4.078 12.132 8.539 340 1HZ LYS 45 1HZ LYS 45 3.136 11.008 10.404 341 2HZ LYS 45 2HZ LYS 45 2.356 9.874 9.408 342 3HZ LYS 45 3HZ LYS 45 1.854 11.496 9.408 343 H CYS 46 H CYS 46 3.145 8.154 2.536 344 HA CYS 46 HA CYS 46 3.174 8.840 -0.194 345 1HB CYS 46 1HB CYS 46 1.270 7.082 1.365 346 2HB CYS 46 2HB CYS 46 1.559 6.980 -0.365 347 H ALA 47 H ALA 47 0.566 9.274 2.185 348 HA ALA 47 HA ALA 47 -1.012 10.792 0.160 349 1HB ALA 47 1HB ALA 47 -1.696 9.761 2.918 350 2HB ALA 47 2HB ALA 47 -2.004 8.892 1.415 351 3HB ALA 47 3HB ALA 47 -2.837 10.411 1.745 352 H THR 48 H THR 48 1.075 12.325 0.877 353 HA THR 48 HA THR 48 1.060 13.820 3.232 354 HB THR 48 HB THR 48 1.471 15.169 0.589 355 HG1 THR 48 1HG THR 48 2.749 12.858 1.538 356 1HG2 THR 48 1HG2 THR 48 2.722 15.119 3.310 357 2HG2 THR 48 2HG2 THR 48 2.260 16.501 2.315 358 3HG2 THR 48 3HG2 THR 48 3.715 15.583 1.928 359 H ALA 49 H ALA 49 0.492 16.399 2.913 360 HA ALA 49 HA ALA 49 -2.418 16.518 2.998 361 1HB ALA 49 1HB ALA 49 -1.214 17.915 4.480 362 2HB ALA 49 2HB ALA 49 -1.792 19.022 3.235 363 3HB ALA 49 3HB ALA 49 -0.121 18.460 3.208 364 H GLY 50 H GLY 50 -2.175 15.602 0.590 365 1HA GLY 50 1HA GLY 50 -3.505 16.971 -1.270 366 2HA GLY 50 2HA GLY 50 -1.948 17.800 -1.393 367 H CYS 51 H CYS 51 -0.921 14.987 -0.462 368 HA CYS 51 HA CYS 51 -0.171 14.050 -3.105 369 1HB CYS 51 1HB CYS 51 0.481 13.845 -0.273 370 2HB CYS 51 2HB CYS 51 0.606 12.299 -1.052 371 H HIS 52 H HIS 52 -0.464 11.205 -1.543 372 HA HIS 52 HA HIS 52 -2.898 10.441 -2.970 373 1HB HIS 52 1HB HIS 52 -0.990 9.058 -1.071 374 2HB HIS 52 2HB HIS 52 -2.333 8.234 -1.833 375 HD1 HIS 52 HD1 HIS 52 -2.323 8.634 -4.568 376 HD2 HIS 52 HD2 HIS 52 1.310 8.876 -2.578 377 HE1 HIS 52 HE1 HIS 52 -0.527 8.326 -6.337 378 H ASP 53 H ASP 53 -3.813 12.374 -1.353 379 HA ASP 53 HA ASP 53 -4.727 11.134 1.198 380 1HB ASP 53 1HB ASP 53 -5.286 13.482 1.756 381 2HB ASP 53 2HB ASP 53 -3.609 13.331 1.230 382 H ASN 54 H ASN 54 -5.963 10.550 -1.589 383 HA ASN 54 HA ASN 54 -8.594 11.842 -1.448 384 1HB ASN 54 1HB ASN 54 -7.353 11.018 -3.522 385 2HB ASN 54 2HB ASN 54 -7.762 9.389 -3.005 386 1HD2 ASN 54 2HD2 ASN 54 -8.827 11.768 -5.036 387 2HD2 ASN 54 1HD2 ASN 54 -10.487 11.415 -5.048 388 H MET 55 H MET 55 -9.702 11.260 0.426 389 HA MET 55 HA MET 55 -9.608 8.540 1.488 390 1HB MET 55 1HB MET 55 -11.061 11.113 2.103 391 2HB MET 55 2HB MET 55 -11.446 9.626 2.972 392 1HG MET 55 1HG MET 55 -9.734 10.174 4.348 393 2HG MET 55 2HG MET 55 -8.680 9.669 3.028 394 1HE MET 55 1HE MET 55 -6.832 10.810 2.878 395 2HE MET 55 2HE MET 55 -6.926 11.557 4.470 396 3HE MET 55 3HE MET 55 -6.515 12.540 3.067 397 H ASP 56 H ASP 56 -10.960 9.457 -1.273 398 HA ASP 56 HA ASP 56 -13.722 8.554 -0.920 399 1HB ASP 56 1HB ASP 56 -12.458 10.156 -2.675 400 2HB ASP 56 2HB ASP 56 -12.368 8.644 -3.580 401 H LYS 57 H LYS 57 -10.659 7.063 -1.388 402 HA LYS 57 HA LYS 57 -10.061 4.798 -1.715 403 1HB LYS 57 1HB LYS 57 -12.997 4.416 -1.078 404 2HB LYS 57 2HB LYS 57 -11.720 3.219 -0.874 405 1HG LYS 57 1HG LYS 57 -10.698 4.464 0.881 406 2HG LYS 57 2HG LYS 57 -11.645 5.904 0.513 407 1HD LYS 57 1HD LYS 57 -12.627 3.308 1.721 408 2HD LYS 57 2HD LYS 57 -12.653 4.913 2.451 409 1HE LYS 57 1HE LYS 57 -14.206 5.645 0.583 410 2HE LYS 57 2HE LYS 57 -14.315 3.939 0.106 411 1HZ LYS 57 1HZ LYS 57 -15.991 4.031 1.641 412 2HZ LYS 57 2HZ LYS 57 -15.240 5.241 2.568 413 3HZ LYS 57 3HZ LYS 57 -14.698 3.634 2.664 414 H LYS 58 H LYS 58 -11.531 6.515 -3.900 415 HA LYS 58 HA LYS 58 -12.014 4.203 -5.748 416 1HB LYS 58 1HB LYS 58 -13.618 6.758 -5.411 417 2HB LYS 58 2HB LYS 58 -13.907 5.551 -6.666 418 1HG LYS 58 1HG LYS 58 -13.888 4.838 -3.728 419 2HG LYS 58 2HG LYS 58 -15.355 5.363 -4.557 420 1HD LYS 58 1HD LYS 58 -13.922 3.324 -6.073 421 2HD LYS 58 2HD LYS 58 -14.370 2.756 -4.465 422 1HE LYS 58 1HE LYS 58 -16.428 2.357 -5.361 423 2HE LYS 58 2HE LYS 58 -16.648 4.118 -5.329 424 1HZ LYS 58 1HZ LYS 58 -15.301 2.635 -7.524 425 2HZ LYS 58 2HZ LYS 58 -15.665 4.295 -7.491 426 3HZ LYS 58 3HZ LYS 58 -16.916 3.150 -7.577 427 H ASP 59 H ASP 59 -10.338 7.093 -5.142 428 HA ASP 59 HA ASP 59 -10.148 8.220 -7.777 429 1HB ASP 59 1HB ASP 59 -9.494 9.515 -5.885 430 2HB ASP 59 2HB ASP 59 -8.431 8.241 -5.288 431 H LYS 60 H LYS 60 -9.569 6.816 -9.438 432 HA LYS 60 HA LYS 60 -7.407 4.838 -9.044 433 1HB LYS 60 1HB LYS 60 -9.724 5.191 -10.667 434 2HB LYS 60 2HB LYS 60 -8.335 5.098 -11.751 435 1HG LYS 60 1HG LYS 60 -8.747 3.126 -9.498 436 2HG LYS 60 2HG LYS 60 -9.422 2.867 -11.107 437 1HD LYS 60 1HD LYS 60 -6.502 3.524 -10.764 438 2HD LYS 60 2HD LYS 60 -7.076 1.867 -10.577 439 1HE LYS 60 1HE LYS 60 -7.753 3.534 -13.017 440 2HE LYS 60 2HE LYS 60 -6.315 2.496 -12.939 441 1HZ LYS 60 1HZ LYS 60 -9.157 1.707 -12.674 442 2HZ LYS 60 2HZ LYS 60 -7.896 0.711 -12.120 443 3HZ LYS 60 3HZ LYS 60 -8.002 1.115 -13.767 444 H SER 61 H SER 61 -7.030 7.924 -9.173 445 HA SER 61 HA SER 61 -5.269 8.132 -11.564 446 1HB SER 61 1HB SER 61 -6.954 9.856 -9.992 447 2HB SER 61 2HB SER 61 -5.314 10.499 -9.984 448 HG SER 61 HG SER 61 -5.532 9.903 -12.392 449 H ALA 62 H ALA 62 -3.441 10.015 -10.526 450 HA ALA 62 HA ALA 62 -1.714 8.233 -8.904 451 1HB ALA 62 1HB ALA 62 -1.440 10.253 -10.943 452 2HB ALA 62 2HB ALA 62 -0.215 9.143 -10.326 453 3HB ALA 62 3HB ALA 62 -0.467 10.703 -9.543 454 H LYS 63 H LYS 63 -4.109 10.046 -7.942 455 HA LYS 63 HA LYS 63 -2.587 11.377 -5.720 456 1HB LYS 63 1HB LYS 63 -4.143 12.517 -7.705 457 2HB LYS 63 2HB LYS 63 -5.277 12.364 -6.359 458 1HG LYS 63 1HG LYS 63 -4.333 14.394 -5.800 459 2HG LYS 63 2HG LYS 63 -3.185 13.325 -4.993 460 1HD LYS 63 1HD LYS 63 -2.326 13.519 -7.680 461 2HD LYS 63 2HD LYS 63 -2.715 15.161 -7.168 462 1HE LYS 63 1HE LYS 63 -1.373 14.499 -4.993 463 2HE LYS 63 2HE LYS 63 -0.652 13.276 -6.058 464 1HZ LYS 63 1HZ LYS 63 0.306 14.831 -7.362 465 2HZ LYS 63 2HZ LYS 63 0.205 15.791 -5.964 466 3HZ LYS 63 3HZ LYS 63 -0.967 15.937 -7.185 467 H GLY 64 H GLY 64 -4.857 8.998 -6.571 468 1HA GLY 64 1HA GLY 64 -6.429 9.224 -4.111 469 2HA GLY 64 2HA GLY 64 -6.634 7.996 -5.349 470 H TYR 65 H TYR 65 -5.979 8.209 -2.256 471 HA TYR 65 HA TYR 65 -3.553 6.844 -1.738 472 1HB TYR 65 1HB TYR 65 -5.465 7.963 -0.268 473 2HB TYR 65 2HB TYR 65 -6.076 6.312 -0.199 474 HD1 TYR 65 HD1 TYR 65 -2.468 6.922 -0.539 475 HD2 TYR 65 HD2 TYR 65 -5.673 6.182 2.224 476 HE1 TYR 65 HE1 TYR 65 -0.822 6.372 1.225 477 HE2 TYR 65 HE2 TYR 65 -4.021 5.634 3.988 478 HH TYR 65 HH TYR 65 -1.009 4.808 3.484 479 H TYR 66 H TYR 66 -6.818 5.394 -1.752 480 HA TYR 66 HA TYR 66 -6.300 2.709 -1.660 481 1HB TYR 66 1HB TYR 66 -8.417 4.275 -2.175 482 2HB TYR 66 2HB TYR 66 -8.143 3.655 -3.802 483 HD1 TYR 66 HD1 TYR 66 -9.156 2.849 -0.394 484 HD2 TYR 66 HD2 TYR 66 -8.254 1.227 -4.262 485 HE1 TYR 66 HE1 TYR 66 -10.245 0.715 0.243 486 HE2 TYR 66 HE2 TYR 66 -9.340 -0.909 -3.625 487 HH TYR 66 HH TYR 66 -11.413 -1.265 -1.220 488 H HIS 67 H HIS 67 -6.734 4.271 -4.836 489 HA HIS 67 HA HIS 67 -5.889 2.331 -6.547 490 1HB HIS 67 1HB HIS 67 -6.597 4.498 -7.306 491 2HB HIS 67 2HB HIS 67 -5.221 5.280 -6.522 492 HD1 HIS 67 HD1 HIS 67 -5.792 2.571 -9.139 493 HD2 HIS 67 HD2 HIS 67 -3.091 5.620 -8.256 494 HE1 HIS 67 HE1 HIS 67 -4.043 2.523 -10.962 495 H ALA 68 H ALA 68 -3.450 4.806 -5.910 496 HA ALA 68 HA ALA 68 -1.178 3.409 -6.612 497 1HB ALA 68 1HB ALA 68 -1.907 5.670 -4.902 498 2HB ALA 68 2HB ALA 68 -0.580 5.522 -6.052 499 3HB ALA 68 3HB ALA 68 -0.393 4.911 -4.407 500 H MET 69 H MET 69 -3.030 2.954 -3.642 501 HA MET 69 HA MET 69 -0.870 1.413 -2.364 502 1HB MET 69 1HB MET 69 -3.724 2.087 -1.634 503 2HB MET 69 2HB MET 69 -2.600 1.248 -0.568 504 1HG MET 69 1HG MET 69 -1.397 3.634 -1.706 505 2HG MET 69 2HG MET 69 -2.875 4.020 -0.826 506 1HE MET 69 1HE MET 69 0.231 5.021 0.565 507 2HE MET 69 2HE MET 69 0.339 4.096 -0.932 508 3HE MET 69 3HE MET 69 1.161 3.518 0.517 509 H HIS 70 H HIS 70 -3.900 0.706 -4.076 510 HA HIS 70 HA HIS 70 -3.415 -2.194 -3.503 511 1HB HIS 70 1HB HIS 70 -5.925 -0.730 -4.382 512 2HB HIS 70 2HB HIS 70 -5.826 -2.422 -3.890 513 HD1 HIS 70 HD1 HIS 70 -5.918 1.049 -2.535 514 HD2 HIS 70 HD2 HIS 70 -5.357 -2.811 -1.068 515 HE1 HIS 70 HE1 HIS 70 -6.114 1.207 -0.014 516 H ASP 71 H ASP 71 -3.231 0.164 -5.970 517 HA ASP 71 HA ASP 71 -3.839 -1.699 -8.181 518 1HB ASP 71 1HB ASP 71 -2.999 1.184 -7.884 519 2HB ASP 71 2HB ASP 71 -3.073 0.412 -9.468 520 H LYS 72 H LYS 72 -2.296 -2.876 -9.248 521 HA LYS 72 HA LYS 72 0.506 -2.713 -8.344 522 1HB LYS 72 1HB LYS 72 0.700 -4.794 -9.614 523 2HB LYS 72 2HB LYS 72 -0.772 -4.845 -8.643 524 1HG LYS 72 1HG LYS 72 -1.988 -3.934 -10.707 525 2HG LYS 72 2HG LYS 72 -0.520 -4.313 -11.609 526 1HD LYS 72 1HD LYS 72 -2.116 -6.297 -9.959 527 2HD LYS 72 2HD LYS 72 -2.158 -6.169 -11.718 528 1HE LYS 72 1HE LYS 72 0.418 -6.485 -11.605 529 2HE LYS 72 2HE LYS 72 0.122 -7.078 -9.959 530 1HZ LYS 72 1HZ LYS 72 -1.624 -8.537 -10.923 531 2HZ LYS 72 2HZ LYS 72 -0.051 -8.929 -11.434 532 3HZ LYS 72 3HZ LYS 72 -1.100 -8.085 -12.472 533 H GLY 73 H GLY 73 -1.319 -2.338 -11.381 534 1HA GLY 73 1HA GLY 73 1.047 -1.617 -12.917 535 2HA GLY 73 2HA GLY 73 -0.624 -1.477 -13.469 536 H THR 74 H THR 74 1.440 0.015 -10.953 537 HA THR 74 HA THR 74 0.135 2.637 -11.570 538 HB THR 74 HB THR 74 1.128 3.159 -9.269 539 HG1 THR 74 1HG THR 74 2.671 1.512 -9.263 540 1HG2 THR 74 1HG2 THR 74 -1.197 2.674 -9.350 541 2HG2 THR 74 2HG2 THR 74 -0.552 1.604 -8.104 542 3HG2 THR 74 3HG2 THR 74 -0.908 0.972 -9.712 543 H LYS 75 H LYS 75 1.566 4.549 -11.541 544 HA LYS 75 HA LYS 75 3.714 4.643 -13.239 545 1HB LYS 75 1HB LYS 75 2.487 6.445 -11.796 546 2HB LYS 75 2HB LYS 75 3.751 6.132 -10.611 547 1HG LYS 75 1HG LYS 75 4.405 8.010 -12.024 548 2HG LYS 75 2HG LYS 75 5.462 6.638 -12.340 549 1HD LYS 75 1HD LYS 75 3.713 6.071 -14.216 550 2HD LYS 75 2HD LYS 75 3.274 7.771 -14.057 551 1HE LYS 75 1HE LYS 75 6.125 7.640 -14.111 552 2HE LYS 75 2HE LYS 75 5.512 6.666 -15.462 553 1HZ LYS 75 1HZ LYS 75 5.681 9.092 -15.956 554 2HZ LYS 75 2HZ LYS 75 4.487 9.368 -14.779 555 3HZ LYS 75 3HZ LYS 75 4.124 8.450 -16.162 556 H PHE 76 H PHE 76 3.889 3.895 -9.759 557 HA PHE 76 HA PHE 76 6.620 2.728 -10.215 558 1HB PHE 76 1HB PHE 76 5.550 4.176 -7.776 559 2HB PHE 76 2HB PHE 76 7.193 3.594 -8.006 560 HD1 PHE 76 HD1 PHE 76 8.479 4.518 -10.084 561 HD2 PHE 76 HD2 PHE 76 4.928 6.308 -8.462 562 HE1 PHE 76 HE1 PHE 76 9.019 6.643 -11.242 563 HE2 PHE 76 HE2 PHE 76 5.468 8.431 -9.616 564 HZ PHE 76 HZ PHE 76 7.508 8.594 -11.003 565 H LYS 77 H LYS 77 7.136 1.142 -8.277 566 HA LYS 77 HA LYS 77 4.999 -0.802 -8.166 567 1HB LYS 77 1HB LYS 77 6.545 -1.949 -6.615 568 2HB LYS 77 2HB LYS 77 7.359 -1.430 -8.087 569 1HG LYS 77 1HG LYS 77 8.132 0.618 -6.867 570 2HG LYS 77 2HG LYS 77 7.435 -0.050 -5.392 571 1HD LYS 77 1HD LYS 77 9.909 -0.522 -5.692 572 2HD LYS 77 2HD LYS 77 8.907 -1.953 -5.468 573 1HE LYS 77 1HE LYS 77 9.310 -1.035 -8.278 574 2HE LYS 77 2HE LYS 77 10.683 -1.818 -7.469 575 1HZ LYS 77 1HZ LYS 77 9.657 -3.758 -7.726 576 2HZ LYS 77 2HZ LYS 77 8.305 -3.005 -8.424 577 3HZ LYS 77 3HZ LYS 77 8.390 -3.212 -6.740 578 H SER 78 H SER 78 3.253 -0.414 -7.040 579 HA SER 78 HA SER 78 3.073 1.477 -4.844 580 1HB SER 78 1HB SER 78 0.713 0.107 -4.929 581 2HB SER 78 2HB SER 78 1.117 1.438 -6.005 582 HG SER 78 HG SER 78 0.426 -0.647 -6.974 583 H CYS 79 H CYS 79 1.595 0.608 -2.924 584 HA CYS 79 HA CYS 79 3.173 -1.074 -1.253 585 1HB CYS 79 1HB CYS 79 0.255 -0.245 -1.225 586 2HB CYS 79 2HB CYS 79 1.074 -0.984 0.147 587 H VAL 80 H VAL 80 -0.132 -1.814 -2.390 588 HA VAL 80 HA VAL 80 0.201 -4.676 -2.056 589 HB VAL 80 HB VAL 80 -1.800 -2.859 -3.400 590 1HG1 VAL 80 1HG1 VAL 80 -3.018 -5.342 -3.095 591 2HG1 VAL 80 2HG1 VAL 80 -1.423 -5.736 -3.733 592 3HG1 VAL 80 3HG1 VAL 80 -2.480 -4.636 -4.619 593 1HG2 VAL 80 1HG2 VAL 80 -3.206 -3.446 -1.517 594 2HG2 VAL 80 2HG2 VAL 80 -1.628 -2.993 -0.872 595 3HG2 VAL 80 3HG2 VAL 80 -2.074 -4.694 -0.999 596 H GLY 81 H GLY 81 0.918 -2.396 -4.571 597 1HA GLY 81 1HA GLY 81 0.935 -4.284 -6.781 598 2HA GLY 81 2HA GLY 81 1.651 -2.670 -6.796 599 H CYS 82 H CYS 82 3.379 -2.937 -4.578 600 HA CYS 82 HA CYS 82 5.579 -4.453 -5.790 601 1HB CYS 82 1HB CYS 82 5.616 -2.200 -4.510 602 2HB CYS 82 2HB CYS 82 5.456 -3.171 -3.049 603 H HIS 83 H HIS 83 3.167 -4.853 -3.353 604 HA HIS 83 HA HIS 83 4.408 -6.988 -1.850 605 1HB HIS 83 1HB HIS 83 1.745 -5.659 -2.157 606 2HB HIS 83 2HB HIS 83 1.802 -7.190 -1.302 607 HD1 HIS 83 HD1 HIS 83 1.289 -5.894 0.956 608 HD2 HIS 83 HD2 HIS 83 4.884 -4.845 -0.875 609 HE1 HIS 83 HE1 HIS 83 2.635 -4.645 2.695 610 H LEU 84 H LEU 84 1.649 -7.048 -4.184 611 HA LEU 84 HA LEU 84 1.429 -9.831 -4.483 612 1HB LEU 84 1HB LEU 84 0.464 -7.444 -5.611 613 2HB LEU 84 2HB LEU 84 1.118 -8.360 -6.964 614 HG LEU 84 HG LEU 84 -0.622 -9.715 -4.929 615 1HD1 LEU 84 1HD1 LEU 84 -1.676 -8.340 -7.411 616 2HD1 LEU 84 2HD1 LEU 84 -1.751 -7.612 -5.805 617 3HD1 LEU 84 3HD1 LEU 84 -2.609 -9.118 -6.133 618 1HD2 LEU 84 1HD2 LEU 84 0.215 -11.320 -6.381 619 2HD2 LEU 84 2HD2 LEU 84 0.330 -10.188 -7.728 620 3HD2 LEU 84 3HD2 LEU 84 -1.237 -10.848 -7.262 621 H GLU 85 H GLU 85 3.850 -7.613 -5.711 622 HA GLU 85 HA GLU 85 4.980 -9.614 -7.581 623 1HB GLU 85 1HB GLU 85 5.140 -6.724 -7.023 624 2HB GLU 85 2HB GLU 85 6.687 -7.449 -7.462 625 1HG GLU 85 1HG GLU 85 5.397 -8.563 -9.404 626 2HG GLU 85 2HG GLU 85 4.130 -7.385 -9.061 627 H THR 86 H THR 86 5.930 -7.864 -4.608 628 HA THR 86 HA THR 86 8.490 -9.113 -4.285 629 HB THR 86 HB THR 86 6.483 -7.706 -2.528 630 HG1 THR 86 1HG THR 86 7.933 -6.625 -4.017 631 1HG2 THR 86 1HG2 THR 86 7.608 -9.485 -1.164 632 2HG2 THR 86 2HG2 THR 86 7.992 -7.848 -0.634 633 3HG2 THR 86 3HG2 THR 86 9.162 -8.763 -1.586 634 H ALA 87 H ALA 87 5.338 -10.379 -4.030 635 HA ALA 87 HA ALA 87 5.970 -12.412 -1.994 636 1HB ALA 87 1HB ALA 87 3.715 -12.337 -1.841 637 2HB ALA 87 2HB ALA 87 3.573 -12.911 -3.502 638 3HB ALA 87 3HB ALA 87 3.683 -11.181 -3.172 639 H GLY 88 H GLY 88 5.754 -12.142 -5.501 640 1HA GLY 88 1HA GLY 88 6.261 -13.673 -7.206 641 2HA GLY 88 2HA GLY 88 7.434 -14.329 -6.063 642 H ALA 89 H ALA 89 3.911 -14.394 -6.698 643 HA ALA 89 HA ALA 89 2.351 -16.137 -6.267 644 1HB ALA 89 1HB ALA 89 4.394 -18.105 -7.083 645 2HB ALA 89 2HB ALA 89 4.218 -16.729 -8.169 646 3HB ALA 89 3HB ALA 89 2.827 -17.750 -7.806 647 H ASP 90 H ASP 90 3.286 -15.543 -3.859 648 HA ASP 90 HA ASP 90 4.028 -18.155 -2.616 649 1HB ASP 90 1HB ASP 90 5.884 -16.565 -2.636 650 2HB ASP 90 2HB ASP 90 4.862 -15.324 -1.919 651 H ALA 91 H ALA 91 1.754 -18.495 -2.301 652 HA ALA 91 HA ALA 91 -0.270 -16.966 -1.305 653 1HB ALA 91 1HB ALA 91 0.573 -19.682 -0.242 654 2HB ALA 91 2HB ALA 91 -0.323 -19.412 -1.737 655 3HB ALA 91 3HB ALA 91 -1.059 -19.016 -0.184 656 H ALA 92 H ALA 92 2.607 -17.911 0.490 657 HA ALA 92 HA ALA 92 1.603 -17.031 3.087 658 1HB ALA 92 1HB ALA 92 3.891 -18.348 1.935 659 2HB ALA 92 2HB ALA 92 3.419 -18.272 3.633 660 3HB ALA 92 3HB ALA 92 4.450 -17.016 2.946 661 H LYS 93 H LYS 93 3.793 -15.729 0.616 662 HA LYS 93 HA LYS 93 4.109 -13.159 1.964 663 1HB LYS 93 1HB LYS 93 4.991 -14.585 -0.486 664 2HB LYS 93 2HB LYS 93 4.990 -12.827 -0.587 665 1HG LYS 93 1HG LYS 93 6.219 -12.911 1.694 666 2HG LYS 93 2HG LYS 93 6.510 -14.608 1.307 667 1HD LYS 93 1HD LYS 93 7.319 -13.628 -1.006 668 2HD LYS 93 2HD LYS 93 7.538 -12.148 -0.071 669 1HE LYS 93 1HE LYS 93 9.578 -13.040 0.457 670 2HE LYS 93 2HE LYS 93 8.662 -14.059 1.584 671 1HZ LYS 93 1HZ LYS 93 9.728 -14.710 -1.054 672 2HZ LYS 93 2HZ LYS 93 8.208 -15.361 -0.664 673 3HZ LYS 93 3HZ LYS 93 9.554 -15.696 0.315 674 H LYS 94 H LYS 94 1.994 -14.561 -0.468 675 HA LYS 94 HA LYS 94 0.971 -12.035 -1.492 676 1HB LYS 94 1HB LYS 94 0.585 -14.925 -1.814 677 2HB LYS 94 2HB LYS 94 -0.925 -14.022 -1.944 678 1HG LYS 94 1HG LYS 94 0.544 -12.422 -3.465 679 2HG LYS 94 2HG LYS 94 1.522 -13.876 -3.663 680 1HD LYS 94 1HD LYS 94 -0.752 -15.054 -4.157 681 2HD LYS 94 2HD LYS 94 -1.349 -13.419 -4.444 682 1HE LYS 94 1HE LYS 94 -0.119 -13.168 -6.374 683 2HE LYS 94 2HE LYS 94 1.232 -14.140 -5.757 684 1HZ LYS 94 1HZ LYS 94 0.269 -16.061 -6.396 685 2HZ LYS 94 2HZ LYS 94 -0.556 -15.071 -7.504 686 3HZ LYS 94 3HZ LYS 94 -1.303 -15.527 -6.047 687 H LYS 95 H LYS 95 0.233 -14.155 1.195 688 HA LYS 95 HA LYS 95 -2.357 -12.886 1.784 689 1HB LYS 95 1HB LYS 95 -2.474 -14.563 3.458 690 2HB LYS 95 2HB LYS 95 -1.546 -15.330 2.171 691 1HG LYS 95 1HG LYS 95 0.029 -15.740 3.735 692 2HG LYS 95 2HG LYS 95 0.392 -14.017 3.666 693 1HD LYS 95 1HD LYS 95 -1.259 -13.589 5.446 694 2HD LYS 95 2HD LYS 95 -1.635 -15.311 5.514 695 1HE LYS 95 1HE LYS 95 1.239 -14.530 5.799 696 2HE LYS 95 2HE LYS 95 0.161 -14.235 7.179 697 1HZ LYS 95 1HZ LYS 95 1.238 -16.574 6.850 698 2HZ LYS 95 2HZ LYS 95 -0.027 -16.787 5.735 699 3HZ LYS 95 3HZ LYS 95 -0.373 -16.442 7.362 700 H GLU 96 H GLU 96 0.988 -12.464 2.582 701 HA GLU 96 HA GLU 96 0.405 -10.754 4.941 702 1HB GLU 96 1HB GLU 96 2.794 -10.945 5.270 703 2HB GLU 96 2HB GLU 96 2.208 -12.534 4.811 704 1HG GLU 96 1HG GLU 96 2.925 -12.177 2.530 705 2HG GLU 96 2HG GLU 96 3.411 -10.525 2.911 706 H LEU 97 H LEU 97 1.932 -10.614 1.760 707 HA LEU 97 HA LEU 97 2.449 -7.745 1.855 708 1HB LEU 97 1HB LEU 97 2.441 -9.776 -0.388 709 2HB LEU 97 2HB LEU 97 3.167 -8.170 -0.465 710 HG LEU 97 HG LEU 97 3.996 -10.500 1.268 711 1HD1 LEU 97 1HD1 LEU 97 5.296 -8.783 -0.842 712 2HD1 LEU 97 2HD1 LEU 97 5.036 -10.527 -0.868 713 3HD1 LEU 97 3HD1 LEU 97 6.227 -9.829 0.229 714 1HD2 LEU 97 1HD2 LEU 97 4.405 -7.556 1.632 715 2HD2 LEU 97 2HD2 LEU 97 5.752 -8.632 1.997 716 3HD2 LEU 97 3HD2 LEU 97 4.220 -8.817 2.850 717 H THR 98 H THR 98 0.380 -9.657 -0.357 718 HA THR 98 HA THR 98 -1.221 -7.223 -0.876 719 HB THR 98 HB THR 98 -2.243 -8.762 -2.602 720 HG1 THR 98 1HG THR 98 -1.407 -10.613 -1.149 721 1HG2 THR 98 1HG2 THR 98 0.184 -7.442 -2.566 722 2HG2 THR 98 2HG2 THR 98 -0.578 -8.130 -3.998 723 3HG2 THR 98 3HG2 THR 98 0.628 -9.059 -3.108 724 H GLY 99 H GLY 99 -1.432 -10.124 1.003 725 1HA GLY 99 1HA GLY 99 -4.184 -10.604 1.107 726 2HA GLY 99 2HA GLY 99 -3.121 -10.775 2.507 727 H CYS 100 H CYS 100 -5.863 -9.294 1.638 728 HA CYS 100 HA CYS 100 -5.363 -6.604 2.665 729 1HB CYS 100 1HB CYS 100 -8.113 -7.641 2.674 730 2HB CYS 100 2HB CYS 100 -7.478 -6.203 1.920 731 H LYS 101 H LYS 101 -7.529 -9.180 3.819 732 HA LYS 101 HA LYS 101 -7.194 -8.105 6.570 733 1HB LYS 101 1HB LYS 101 -9.178 -9.666 6.957 734 2HB LYS 101 2HB LYS 101 -9.462 -8.359 5.806 735 1HG LYS 101 1HG LYS 101 -9.707 -9.791 4.065 736 2HG LYS 101 2HG LYS 101 -8.342 -10.784 4.578 737 1HD LYS 101 1HD LYS 101 -9.678 -12.258 5.657 738 2HD LYS 101 2HD LYS 101 -10.639 -10.973 6.391 739 1HE LYS 101 1HE LYS 101 -11.748 -10.662 4.108 740 2HE LYS 101 2HE LYS 101 -10.967 -12.183 3.630 741 1HZ LYS 101 1HZ LYS 101 -13.291 -12.243 4.767 742 2HZ LYS 101 2HZ LYS 101 -12.398 -12.032 6.197 743 3HZ LYS 101 3HZ LYS 101 -12.112 -13.381 5.203 744 H GLY 102 H GLY 102 -5.546 -9.074 7.700 745 1HA GLY 102 1HA GLY 102 -4.870 -11.102 8.932 746 2HA GLY 102 2HA GLY 102 -5.298 -12.045 7.503 747 H SER 103 H SER 103 -3.874 -9.347 6.298 748 HA SER 103 HA SER 103 -1.344 -10.760 5.786 749 1HB SER 103 1HB SER 103 -1.015 -8.850 4.253 750 2HB SER 103 2HB SER 103 -2.606 -9.561 4.029 751 HG SER 103 HG SER 103 -3.148 -7.517 4.301 752 H LYS 104 H LYS 104 0.187 -8.302 5.519 753 HA LYS 104 HA LYS 104 0.900 -7.864 8.385 754 1HB LYS 104 1HB LYS 104 2.277 -7.398 5.721 755 2HB LYS 104 2HB LYS 104 3.002 -7.040 7.287 756 1HG LYS 104 1HG LYS 104 1.889 -9.780 6.860 757 2HG LYS 104 2HG LYS 104 3.426 -9.382 6.092 758 1HD LYS 104 1HD LYS 104 3.917 -8.390 8.543 759 2HD LYS 104 2HD LYS 104 2.769 -9.656 8.982 760 1HE LYS 104 1HE LYS 104 4.253 -11.156 7.393 761 2HE LYS 104 2HE LYS 104 5.486 -9.923 7.726 762 1HZ LYS 104 1HZ LYS 104 5.642 -11.508 9.460 763 2HZ LYS 104 2HZ LYS 104 3.960 -11.534 9.696 764 3HZ LYS 104 3HZ LYS 104 4.859 -10.158 10.125 765 H CYS 105 H CYS 105 -0.204 -6.378 5.465 766 HA CYS 105 HA CYS 105 0.272 -3.620 6.255 767 1HB CYS 105 1HB CYS 105 -0.178 -5.089 3.962 768 2HB CYS 105 2HB CYS 105 -1.695 -4.250 4.178 769 H HIS 106 H HIS 106 -2.385 -5.915 6.580 770 HA HIS 106 HA HIS 106 -4.058 -3.720 7.768 771 1HB HIS 106 1HB HIS 106 -4.603 -6.041 5.967 772 2HB HIS 106 2HB HIS 106 -5.878 -5.558 7.086 773 HD1 HIS 106 HD1 HIS 106 -5.183 -2.473 7.008 774 HD2 HIS 106 HD2 HIS 106 -5.804 -4.890 3.649 775 HE1 HIS 106 HE1 HIS 106 -5.736 -0.908 5.101 776 H SER 107 H SER 107 -2.654 -4.459 9.743 777 HA SER 107 HA SER 107 -3.550 -7.027 10.933 778 1HB SER 107 1HB SER 107 -1.403 -4.994 11.350 779 2HB SER 107 2HB SER 107 -1.886 -5.957 12.743 780 HG SER 107 HG SER 107 -0.177 -6.851 11.366 781 HHA HEC 201 HHA HEC 201 6.092 8.665 5.845 782 HHB HEC 201 HHB HEC 201 12.126 9.845 4.718 783 HHC HEC 201 HHC HEC 201 12.570 4.655 1.201 784 HHD HEC 201 HHD HEC 201 6.383 3.722 1.783 785 1HMA HEC 201 1HMA HEC 201 10.001 10.932 7.877 786 2HMA HEC 201 2HMA HEC 201 10.307 11.970 6.483 787 3HMA HEC 201 3HMA HEC 201 11.455 10.699 6.903 788 1HAA HEC 201 1HAA HEC 201 6.756 9.753 7.570 789 2HAA HEC 201 2HAA HEC 201 8.014 10.942 7.898 790 1HBA HEC 201 1HBA HEC 201 6.461 11.200 5.361 791 2HBA HEC 201 2HBA HEC 201 5.676 11.673 6.867 792 1HMB HEC 201 1HMB HEC 201 14.666 9.466 2.830 793 2HMB HEC 201 2HMB HEC 201 15.298 8.296 3.989 794 3HMB HEC 201 3HMB HEC 201 14.115 9.497 4.506 795 HAB HEC 201 HAB HEC 201 14.412 5.408 1.312 796 1HBB HEC 201 1HBB HEC 201 16.636 6.223 2.826 797 2HBB HEC 201 2HBB HEC 201 15.791 4.679 2.943 798 3HBB HEC 201 3HBB HEC 201 15.334 6.016 3.999 799 1HMC HEC 201 1HMC HEC 201 12.025 3.124 -0.178 800 2HMC HEC 201 2HMC HEC 201 10.690 2.101 -0.708 801 3HMC HEC 201 3HMC HEC 201 11.554 1.721 0.781 802 HAC HEC 201 HAC HEC 201 7.012 2.300 0.690 803 1HBC HEC 201 1HBC HEC 201 7.980 0.342 1.384 804 2HBC HEC 201 2HBC HEC 201 9.571 0.790 0.771 805 3HBC HEC 201 3HBC HEC 201 8.335 0.191 -0.337 806 1HMD HEC 201 1HMD HEC 201 4.607 3.279 3.726 807 2HMD HEC 201 2HMD HEC 201 3.404 4.437 4.289 808 3HMD HEC 201 3HMD HEC 201 3.798 4.343 2.572 809 1HAD HEC 201 1HAD HEC 201 4.316 7.604 6.075 810 2HAD HEC 201 2HAD HEC 201 3.171 6.799 5.003 811 1HBD HEC 201 1HBD HEC 201 3.623 4.651 6.078 812 2HBD HEC 201 2HBD HEC 201 4.853 5.396 7.098 813 HHA HEC 202 HHA HEC 202 1.520 7.645 -9.635 814 HHB HEC 202 HHB HEC 202 2.704 4.090 -4.976 815 HHC HEC 202 HHC HEC 202 4.420 8.960 -1.362 816 HHD HEC 202 HHD HEC 202 2.545 12.890 -6.041 817 1HMA HEC 202 1HMA HEC 202 0.325 3.224 -7.604 818 2HMA HEC 202 2HMA HEC 202 0.879 3.246 -5.931 819 3HMA HEC 202 3HMA HEC 202 1.992 2.791 -7.222 820 1HAA HEC 202 1HAA HEC 202 0.970 5.319 -10.148 821 2HAA HEC 202 2HAA HEC 202 -0.105 4.425 -9.108 822 1HBA HEC 202 1HBA HEC 202 -1.379 6.459 -8.636 823 2HBA HEC 202 2HBA HEC 202 -0.282 7.392 -9.652 824 1HMB HEC 202 1HMB HEC 202 4.035 3.791 -1.398 825 2HMB HEC 202 2HMB HEC 202 4.353 3.353 -3.077 826 3HMB HEC 202 3HMB HEC 202 2.692 3.518 -2.509 827 HAB HEC 202 HAB HEC 202 4.182 7.075 0.003 828 1HBB HEC 202 1HBB HEC 202 6.356 6.573 0.386 829 2HBB HEC 202 2HBB HEC 202 6.480 6.185 -1.330 830 3HBB HEC 202 3HBB HEC 202 6.127 4.912 -0.161 831 1HMC HEC 202 1HMC HEC 202 5.413 12.525 -1.525 832 2HMC HEC 202 2HMC HEC 202 3.882 12.223 -0.705 833 3HMC HEC 202 3HMC HEC 202 5.073 10.931 -0.852 834 HAC HEC 202 HAC HEC 202 2.597 13.987 -4.267 835 1HBC HEC 202 1HBC HEC 202 4.245 15.500 -3.604 836 2HBC HEC 202 2HBC HEC 202 5.251 14.070 -3.838 837 3HBC HEC 202 3HBC HEC 202 4.726 14.522 -2.217 838 1HMD HEC 202 1HMD HEC 202 1.970 12.901 -9.950 839 2HMD HEC 202 2HMD HEC 202 2.856 13.466 -8.533 840 3HMD HEC 202 3HMD HEC 202 1.096 13.364 -8.488 841 1HAD HEC 202 1HAD HEC 202 1.957 9.178 -10.898 842 2HAD HEC 202 2HAD HEC 202 1.245 10.777 -11.093 843 1HBD HEC 202 1HBD HEC 202 3.665 11.636 -10.630 844 2HBD HEC 202 2HBD HEC 202 4.142 9.988 -11.040 845 HHA HEC 203 HHA HEC 203 7.012 -6.868 4.634 846 HHB HEC 203 HHB HEC 203 2.709 -2.039 5.008 847 HHC HEC 203 HHC HEC 203 4.641 0.119 -0.355 848 HHD HEC 203 HHD HEC 203 9.023 -4.399 -0.788 849 1HMA HEC 203 1HMA HEC 203 2.992 -5.127 7.533 850 2HMA HEC 203 2HMA HEC 203 2.128 -3.925 6.573 851 3HMA HEC 203 3HMA HEC 203 3.420 -3.420 7.664 852 1HAA HEC 203 1HAA HEC 203 4.743 -6.138 7.740 853 2HAA HEC 203 2HAA HEC 203 4.629 -7.342 6.465 854 1HBA HEC 203 1HBA HEC 203 6.904 -7.627 6.337 855 2HBA HEC 203 2HBA HEC 203 7.244 -5.951 6.772 856 1HMB HEC 203 1HMB HEC 203 2.279 1.297 4.345 857 2HMB HEC 203 2HMB HEC 203 1.965 -0.293 5.040 858 3HMB HEC 203 3HMB HEC 203 1.049 0.250 3.635 859 HAB HEC 203 HAB HEC 203 2.712 0.926 0.227 860 1HBB HEC 203 1HBB HEC 203 4.442 2.454 0.269 861 2HBB HEC 203 2HBB HEC 203 4.448 2.555 2.030 862 3HBB HEC 203 3HBB HEC 203 3.215 3.410 1.101 863 1HMC HEC 203 1HMC HEC 203 7.256 0.269 -2.737 864 2HMC HEC 203 2HMC HEC 203 5.881 -0.650 -3.353 865 3HMC HEC 203 3HMC HEC 203 5.655 0.497 -2.032 866 HAC HEC 203 HAC HEC 203 9.232 -3.219 -2.453 867 1HBC HEC 203 1HBC HEC 203 9.865 -1.439 -3.825 868 2HBC HEC 203 2HBC HEC 203 9.064 -0.570 -2.516 869 3HBC HEC 203 3HBC HEC 203 8.207 -0.874 -4.024 870 1HMD HEC 203 1HMD HEC 203 10.458 -5.810 -0.137 871 2HMD HEC 203 2HMD HEC 203 9.916 -7.484 -0.009 872 3HMD HEC 203 3HMD HEC 203 10.942 -6.791 1.248 873 1HAD HEC 203 1HAD HEC 203 10.050 -7.743 3.354 874 2HAD HEC 203 2HAD HEC 203 8.470 -8.052 4.064 875 1HBD HEC 203 1HBD HEC 203 7.835 -9.508 2.330 876 2HBD HEC 203 2HBD HEC 203 9.063 -8.878 1.230 877 HHA HEC 204 HHA HEC 204 -6.789 2.167 3.875 878 HHB HEC 204 HHB HEC 204 -10.135 -2.332 1.031 879 HHC HEC 204 HHC HEC 204 -4.817 -5.924 0.866 880 HHD HEC 204 HHD HEC 204 -1.490 -0.982 2.575 881 1HMA HEC 204 1HMA HEC 204 -11.684 0.036 3.172 882 2HMA HEC 204 2HMA HEC 204 -11.486 -0.906 1.695 883 3HMA HEC 204 3HMA HEC 204 -11.411 0.855 1.633 884 1HAA HEC 204 1HAA HEC 204 -9.959 1.980 4.584 885 2HAA HEC 204 2HAA HEC 204 -8.521 2.780 3.957 886 1HBA HEC 204 1HBA HEC 204 -9.721 3.113 1.782 887 2HBA HEC 204 2HBA HEC 204 -11.166 2.444 2.533 888 1HMB HEC 204 1HMB HEC 204 -9.821 -4.917 -1.495 889 2HMB HEC 204 2HMB HEC 204 -10.594 -3.901 -0.278 890 3HMB HEC 204 3HMB HEC 204 -10.305 -5.608 0.054 891 HAB HEC 204 HAB HEC 204 -6.479 -7.004 0.164 892 1HBB HEC 204 1HBB HEC 204 -6.905 -7.522 -2.306 893 2HBB HEC 204 2HBB HEC 204 -5.743 -6.241 -1.955 894 3HBB HEC 204 3HBB HEC 204 -7.380 -5.830 -2.466 895 1HMC HEC 204 1HMC HEC 204 -1.557 -6.184 2.135 896 2HMC HEC 204 2HMC HEC 204 -3.003 -6.634 1.231 897 3HMC HEC 204 3HMC HEC 204 -1.587 -6.021 0.379 898 HAC HEC 204 HAC HEC 204 -0.468 -2.506 2.913 899 1HBC HEC 204 1HBC HEC 204 0.129 -2.528 0.423 900 2HBC HEC 204 2HBC HEC 204 0.488 -4.243 0.622 901 3HBC HEC 204 3HBC HEC 204 1.408 -3.039 1.525 902 1HMD HEC 204 1HMD HEC 204 -1.071 0.722 4.156 903 2HMD HEC 204 2HMD HEC 204 -1.631 2.390 4.295 904 3HMD HEC 204 3HMD HEC 204 -1.089 1.768 2.736 905 1HAD HEC 204 1HAD HEC 204 -3.670 3.796 3.598 906 2HAD HEC 204 2HAD HEC 204 -5.321 3.443 4.089 907 1HBD HEC 204 1HBD HEC 204 -4.072 2.212 6.093 908 2HBD HEC 204 2HBD HEC 204 -2.812 3.377 5.693 Start of MODEL 19 1 1H ALA 1 1H ALA 1 20.186 14.375 0.756 2 2H ALA 1 2H ALA 1 18.584 14.398 1.324 3 3H ALA 1 3H ALA 1 19.142 13.087 0.397 4 HA ALA 1 HA ALA 1 20.191 12.102 2.135 5 1HB ALA 1 1HB ALA 1 21.083 13.762 3.975 6 2HB ALA 1 2HB ALA 1 20.762 14.991 2.751 7 3HB ALA 1 3HB ALA 1 21.897 13.685 2.413 8 HA PRO 2 HA PRO 2 16.127 13.194 4.215 9 1HB PRO 2 1HB PRO 2 14.740 10.978 3.416 10 2HB PRO 2 2HB PRO 2 14.768 12.483 2.487 11 1HG PRO 2 1HG PRO 2 16.279 9.962 2.052 12 2HG PRO 2 2HG PRO 2 15.577 11.076 0.869 13 1HD PRO 2 1HD PRO 2 18.240 10.994 1.489 14 2HD PRO 2 2HD PRO 2 17.411 12.439 0.869 15 H LYS 3 H LYS 3 15.745 12.382 6.279 16 HA LYS 3 HA LYS 3 17.306 9.967 7.069 17 1HB LYS 3 1HB LYS 3 15.862 11.974 8.800 18 2HB LYS 3 2HB LYS 3 17.152 10.871 9.271 19 1HG LYS 3 1HG LYS 3 17.554 12.986 7.151 20 2HG LYS 3 2HG LYS 3 17.838 13.312 8.861 21 1HD LYS 3 1HD LYS 3 19.097 10.825 8.182 22 2HD LYS 3 2HD LYS 3 19.599 12.052 7.018 23 1HE LYS 3 1HE LYS 3 19.962 13.567 9.117 24 2HE LYS 3 2HE LYS 3 19.979 12.031 10.007 25 1HZ LYS 3 1HZ LYS 3 21.535 12.371 7.520 26 2HZ LYS 3 2HZ LYS 3 21.748 11.226 8.756 27 3HZ LYS 3 3HZ LYS 3 22.179 12.850 9.014 28 H ALA 4 H ALA 4 15.783 8.451 6.218 29 HA ALA 4 HA ALA 4 13.061 8.203 6.433 30 1HB ALA 4 1HB ALA 4 13.482 5.979 6.029 31 2HB ALA 4 2HB ALA 4 14.611 5.850 7.379 32 3HB ALA 4 3HB ALA 4 15.140 6.556 5.852 33 HA PRO 5 HA PRO 5 12.292 8.482 10.764 34 1HB PRO 5 1HB PRO 5 9.618 7.897 10.676 35 2HB PRO 5 2HB PRO 5 10.294 9.470 10.222 36 1HG PRO 5 1HG PRO 5 9.262 7.301 8.505 37 2HG PRO 5 2HG PRO 5 9.333 9.040 8.217 38 1HD PRO 5 1HD PRO 5 11.070 7.117 7.150 39 2HD PRO 5 2HD PRO 5 11.313 8.875 7.140 40 H ALA 6 H ALA 6 11.591 7.076 12.535 41 HA ALA 6 HA ALA 6 12.566 4.453 12.449 42 1HB ALA 6 1HB ALA 6 12.153 5.767 14.482 43 2HB ALA 6 2HB ALA 6 11.301 4.226 14.581 44 3HB ALA 6 3HB ALA 6 10.415 5.700 14.189 45 H ASP 7 H ASP 7 11.574 2.450 12.201 46 HA ASP 7 HA ASP 7 9.510 2.127 10.277 47 1HB ASP 7 1HB ASP 7 10.231 0.181 12.482 48 2HB ASP 7 2HB ASP 7 9.719 -0.187 10.834 49 H GLY 8 H GLY 8 7.624 0.426 11.252 50 1HA GLY 8 1HA GLY 8 5.620 0.294 12.458 51 2HA GLY 8 2HA GLY 8 6.411 1.220 13.731 52 H LEU 9 H LEU 9 6.446 2.695 10.622 53 HA LEU 9 HA LEU 9 5.008 5.009 11.488 54 1HB LEU 9 1HB LEU 9 6.507 4.189 9.289 55 2HB LEU 9 2HB LEU 9 4.897 4.451 8.616 56 HG LEU 9 HG LEU 9 5.909 6.505 10.516 57 1HD1 LEU 9 1HD1 LEU 9 7.906 6.315 9.253 58 2HD1 LEU 9 2HD1 LEU 9 7.017 7.610 8.450 59 3HD1 LEU 9 3HD1 LEU 9 7.027 5.986 7.759 60 1HD2 LEU 9 1HD2 LEU 9 4.134 6.322 8.108 61 2HD2 LEU 9 2HD2 LEU 9 4.888 7.875 8.477 62 3HD2 LEU 9 3HD2 LEU 9 3.831 7.100 9.663 63 H LYS 10 H LYS 10 2.836 5.192 11.809 64 HA LYS 10 HA LYS 10 1.074 3.099 10.628 65 1HB LYS 10 1HB LYS 10 1.194 4.697 13.075 66 2HB LYS 10 2HB LYS 10 -0.419 4.644 12.362 67 1HG LYS 10 1HG LYS 10 0.113 2.069 12.107 68 2HG LYS 10 2HG LYS 10 1.257 2.393 13.411 69 1HD LYS 10 1HD LYS 10 -1.085 3.713 14.190 70 2HD LYS 10 2HD LYS 10 -1.641 2.176 13.526 71 1HE LYS 10 1HE LYS 10 0.031 0.994 14.978 72 2HE LYS 10 2HE LYS 10 0.426 2.557 15.721 73 1HZ LYS 10 1HZ LYS 10 -2.371 1.631 15.484 74 2HZ LYS 10 2HZ LYS 10 -1.730 2.814 16.523 75 3HZ LYS 10 3HZ LYS 10 -1.412 1.169 16.805 76 H MET 11 H MET 11 0.212 3.676 8.719 77 HA MET 11 HA MET 11 -0.349 6.508 8.067 78 1HB MET 11 1HB MET 11 -1.140 5.294 5.896 79 2HB MET 11 2HB MET 11 0.581 5.263 6.272 80 1HG MET 11 1HG MET 11 -0.956 3.071 7.491 81 2HG MET 11 2HG MET 11 -0.941 3.049 5.729 82 1HE MET 11 1HE MET 11 0.823 2.470 4.293 83 2HE MET 11 2HE MET 11 2.553 2.532 4.624 84 3HE MET 11 3HE MET 11 1.610 4.019 4.618 85 H ASP 12 H ASP 12 -2.159 7.152 9.239 86 HA ASP 12 HA ASP 12 -4.538 5.340 9.248 87 1HB ASP 12 1HB ASP 12 -5.253 7.101 10.998 88 2HB ASP 12 2HB ASP 12 -3.916 6.037 11.411 89 H LYS 13 H LYS 13 -3.572 7.211 7.017 90 HA LYS 13 HA LYS 13 -5.159 9.481 6.661 91 1HB LYS 13 1HB LYS 13 -4.240 7.272 4.815 92 2HB LYS 13 2HB LYS 13 -5.015 8.732 4.213 93 1HG LYS 13 1HG LYS 13 -2.550 8.714 5.975 94 2HG LYS 13 2HG LYS 13 -2.510 8.869 4.219 95 1HD LYS 13 1HD LYS 13 -3.855 10.918 4.345 96 2HD LYS 13 2HD LYS 13 -3.968 10.751 6.098 97 1HE LYS 13 1HE LYS 13 -1.209 10.699 5.000 98 2HE LYS 13 2HE LYS 13 -2.055 12.256 4.894 99 1HZ LYS 13 1HZ LYS 13 -0.868 11.703 7.079 100 2HZ LYS 13 2HZ LYS 13 -2.153 10.627 7.356 101 3HZ LYS 13 3HZ LYS 13 -2.458 12.289 7.170 102 H THR 14 H THR 14 -6.059 6.096 6.465 103 HA THR 14 HA THR 14 -8.891 6.891 5.850 104 HB THR 14 HB THR 14 -8.987 4.512 4.949 105 HG1 THR 14 1HG THR 14 -7.151 3.765 6.071 106 1HG2 THR 14 1HG2 THR 14 -8.089 5.139 2.854 107 2HG2 THR 14 2HG2 THR 14 -6.846 6.147 3.595 108 3HG2 THR 14 3HG2 THR 14 -8.531 6.668 3.613 109 H LYS 15 H LYS 15 -10.454 5.091 6.703 110 HA LYS 15 HA LYS 15 -10.332 4.973 9.547 111 1HB LYS 15 1HB LYS 15 -11.949 3.912 7.316 112 2HB LYS 15 2HB LYS 15 -12.004 2.926 8.778 113 1HG LYS 15 1HG LYS 15 -13.346 4.420 9.791 114 2HG LYS 15 2HG LYS 15 -12.187 5.716 9.485 115 1HD LYS 15 1HD LYS 15 -13.099 6.038 7.234 116 2HD LYS 15 2HD LYS 15 -14.222 4.701 7.480 117 1HE LYS 15 1HE LYS 15 -15.346 5.912 9.282 118 2HE LYS 15 2HE LYS 15 -14.163 7.229 9.166 119 1HZ LYS 15 1HZ LYS 15 -15.970 7.886 7.828 120 2HZ LYS 15 2HZ LYS 15 -16.116 6.350 7.118 121 3HZ LYS 15 3HZ LYS 15 -14.787 7.340 6.742 122 H GLN 16 H GLN 16 -8.938 2.959 7.082 123 HA GLN 16 HA GLN 16 -8.264 0.837 9.076 124 1HB GLN 16 1HB GLN 16 -8.149 0.987 6.045 125 2HB GLN 16 2HB GLN 16 -7.680 -0.429 6.988 126 1HG GLN 16 1HG GLN 16 -10.330 0.643 7.690 127 2HG GLN 16 2HG GLN 16 -10.217 0.044 6.035 128 1HE2 GLN 16 2HE2 GLN 16 -8.180 -1.306 8.590 129 2HE2 GLN 16 1HE2 GLN 16 -8.959 -2.812 8.662 130 HA PRO 17 HA PRO 17 -4.467 3.443 8.706 131 1HB PRO 17 1HB PRO 17 -3.704 3.060 11.315 132 2HB PRO 17 2HB PRO 17 -4.819 4.343 10.802 133 1HG PRO 17 1HG PRO 17 -5.428 1.674 11.990 134 2HG PRO 17 2HG PRO 17 -6.150 3.253 12.342 135 1HD PRO 17 1HD PRO 17 -7.380 1.443 10.772 136 2HD PRO 17 2HD PRO 17 -7.521 3.193 10.484 137 H VAL 18 H VAL 18 -2.552 2.553 8.074 138 HA VAL 18 HA VAL 18 -2.014 -0.304 8.784 139 HB VAL 18 HB VAL 18 -1.519 1.441 6.366 140 1HG1 VAL 18 1HG1 VAL 18 0.556 0.294 6.637 141 2HG1 VAL 18 2HG1 VAL 18 -0.351 -0.633 5.443 142 3HG1 VAL 18 3HG1 VAL 18 -0.250 -1.202 7.108 143 1HG2 VAL 18 1HG2 VAL 18 -2.494 -1.020 5.576 144 2HG2 VAL 18 2HG2 VAL 18 -3.481 0.416 5.847 145 3HG2 VAL 18 3HG2 VAL 18 -3.294 -0.781 7.129 146 H VAL 19 H VAL 19 0.253 -0.856 9.145 147 HA VAL 19 HA VAL 19 1.867 1.453 10.152 148 HB VAL 19 HB VAL 19 1.850 -1.518 10.767 149 1HG1 VAL 19 1HG1 VAL 19 3.286 -0.267 12.757 150 2HG1 VAL 19 2HG1 VAL 19 3.808 0.608 11.318 151 3HG1 VAL 19 3HG1 VAL 19 3.997 -1.144 11.402 152 1HG2 VAL 19 1HG2 VAL 19 0.049 0.284 11.602 153 2HG2 VAL 19 2HG2 VAL 19 1.316 0.616 12.784 154 3HG2 VAL 19 3HG2 VAL 19 0.632 -1.004 12.658 155 H PHE 20 H PHE 20 3.531 2.023 8.771 156 HA PHE 20 HA PHE 20 4.614 -0.051 6.918 157 1HB PHE 20 1HB PHE 20 3.775 2.087 5.983 158 2HB PHE 20 2HB PHE 20 4.927 2.970 6.984 159 HD1 PHE 20 HD1 PHE 20 4.933 0.027 4.659 160 HD2 PHE 20 HD2 PHE 20 6.931 3.597 5.955 161 HE1 PHE 20 HE1 PHE 20 6.697 -0.338 2.958 162 HE2 PHE 20 HE2 PHE 20 8.690 3.230 4.253 163 HZ PHE 20 HZ PHE 20 8.577 1.263 2.755 164 H ASN 21 H ASN 21 6.457 -1.045 7.622 165 HA ASN 21 HA ASN 21 8.221 0.333 9.566 166 1HB ASN 21 1HB ASN 21 7.353 -2.355 8.855 167 2HB ASN 21 2HB ASN 21 9.102 -2.249 8.970 168 1HD2 ASN 21 2HD2 ASN 21 6.130 -1.427 10.813 169 2HD2 ASN 21 1HD2 ASN 21 6.845 -1.597 12.343 170 H HIS 22 H HIS 22 9.448 1.770 8.216 171 HA HIS 22 HA HIS 22 10.411 1.360 5.629 172 1HB HIS 22 1HB HIS 22 11.422 2.765 8.084 173 2HB HIS 22 2HB HIS 22 12.422 2.746 6.633 174 HD1 HIS 22 HD1 HIS 22 9.588 4.465 8.164 175 HD2 HIS 22 HD2 HIS 22 10.950 3.868 4.265 176 HE1 HIS 22 HE1 HIS 22 8.521 6.269 6.747 177 H SER 23 H SER 23 11.695 0.070 8.678 178 HA SER 23 HA SER 23 14.196 -0.915 7.896 179 1HB SER 23 1HB SER 23 13.581 -1.205 10.141 180 2HB SER 23 2HB SER 23 11.996 -1.848 9.723 181 HG SER 23 HG SER 23 14.049 -3.240 10.372 182 H THR 24 H THR 24 10.977 -2.272 7.247 183 HA THR 24 HA THR 24 12.040 -4.651 5.906 184 HB THR 24 HB THR 24 9.280 -4.005 5.332 185 HG1 THR 24 1HG THR 24 9.985 -3.968 8.071 186 1HG2 THR 24 1HG2 THR 24 9.430 -5.979 7.319 187 2HG2 THR 24 2HG2 THR 24 10.920 -6.149 6.391 188 3HG2 THR 24 3HG2 THR 24 9.358 -6.240 5.576 189 H HIS 25 H HIS 25 11.880 -1.442 5.031 190 HA HIS 25 HA HIS 25 11.580 -2.128 2.137 191 1HB HIS 25 1HB HIS 25 10.812 0.341 3.715 192 2HB HIS 25 2HB HIS 25 10.609 0.145 1.979 193 HD1 HIS 25 HD1 HIS 25 9.284 -1.072 5.264 194 HD2 HIS 25 HD2 HIS 25 8.537 -1.662 1.209 195 HE1 HIS 25 HE1 HIS 25 7.122 -2.381 5.120 196 H LYS 26 H LYS 26 13.657 -0.921 4.566 197 HA LYS 26 HA LYS 26 15.154 1.113 3.365 198 1HB LYS 26 1HB LYS 26 16.086 -1.318 4.931 199 2HB LYS 26 2HB LYS 26 17.025 0.159 4.713 200 1HG LYS 26 1HG LYS 26 14.929 1.362 5.681 201 2HG LYS 26 2HG LYS 26 14.478 -0.239 6.268 202 1HD LYS 26 1HD LYS 26 15.764 0.306 8.065 203 2HD LYS 26 2HD LYS 26 17.108 -0.127 7.008 204 1HE LYS 26 1HE LYS 26 17.859 1.998 7.323 205 2HE LYS 26 2HE LYS 26 16.503 2.519 6.301 206 1HZ LYS 26 1HZ LYS 26 16.599 3.466 8.647 207 2HZ LYS 26 2HZ LYS 26 16.145 1.917 9.175 208 3HZ LYS 26 3HZ LYS 26 15.121 2.801 8.147 209 H ALA 27 H ALA 27 14.912 -2.256 2.478 210 HA ALA 27 HA ALA 27 17.274 -2.189 0.712 211 1HB ALA 27 1HB ALA 27 16.633 -4.201 1.989 212 2HB ALA 27 2HB ALA 27 16.532 -4.521 0.257 213 3HB ALA 27 3HB ALA 27 15.063 -4.219 1.184 214 H VAL 28 H VAL 28 14.060 -1.156 0.536 215 HA VAL 28 HA VAL 28 13.601 -1.789 -2.296 216 HB VAL 28 HB VAL 28 12.209 -0.117 -0.192 217 1HG1 VAL 28 1HG1 VAL 28 10.316 -0.027 -1.832 218 2HG1 VAL 28 2HG1 VAL 28 11.407 -0.674 -3.056 219 3HG1 VAL 28 3HG1 VAL 28 11.727 0.903 -2.334 220 1HG2 VAL 28 1HG2 VAL 28 10.673 -1.911 -0.045 221 2HG2 VAL 28 2HG2 VAL 28 12.246 -2.703 -0.145 222 3HG2 VAL 28 3HG2 VAL 28 11.214 -2.606 -1.572 223 H LYS 29 H LYS 29 12.950 0.257 -3.677 224 HA LYS 29 HA LYS 29 15.292 2.056 -3.607 225 1HB LYS 29 1HB LYS 29 13.453 0.982 -5.541 226 2HB LYS 29 2HB LYS 29 13.475 2.743 -5.649 227 1HG LYS 29 1HG LYS 29 15.327 2.423 -6.920 228 2HG LYS 29 2HG LYS 29 16.131 2.213 -5.363 229 1HD LYS 29 1HD LYS 29 14.923 -0.276 -6.028 230 2HD LYS 29 2HD LYS 29 15.783 0.284 -7.462 231 1HE LYS 29 1HE LYS 29 17.836 0.598 -6.136 232 2HE LYS 29 2HE LYS 29 16.979 0.071 -4.673 233 1HZ LYS 29 1HZ LYS 29 16.318 -1.908 -6.243 234 2HZ LYS 29 2HZ LYS 29 17.786 -1.927 -5.389 235 3HZ LYS 29 3HZ LYS 29 17.760 -1.489 -7.031 236 H CYS 30 H CYS 30 15.015 3.628 -2.115 237 HA CYS 30 HA CYS 30 12.709 4.796 -1.075 238 1HB CYS 30 1HB CYS 30 15.470 5.815 -1.715 239 2HB CYS 30 2HB CYS 30 14.274 6.915 -1.035 240 H GLY 31 H GLY 31 14.057 5.135 -4.267 241 1HA GLY 31 1HA GLY 31 12.393 7.475 -4.929 242 2HA GLY 31 2HA GLY 31 13.508 6.656 -6.023 243 H ASP 32 H ASP 32 12.071 4.062 -4.915 244 HA ASP 32 HA ASP 32 10.182 3.905 -7.151 245 1HB ASP 32 1HB ASP 32 11.749 2.165 -5.653 246 2HB ASP 32 2HB ASP 32 10.112 1.789 -5.119 247 H CYS 33 H CYS 33 10.054 4.242 -3.636 248 HA CYS 33 HA CYS 33 7.087 4.175 -3.617 249 1HB CYS 33 1HB CYS 33 9.355 4.228 -1.647 250 2HB CYS 33 2HB CYS 33 7.779 4.795 -1.107 251 H HIS 34 H HIS 34 9.697 6.417 -2.614 252 HA HIS 34 HA HIS 34 7.844 8.727 -2.714 253 1HB HIS 34 1HB HIS 34 10.741 8.272 -1.942 254 2HB HIS 34 2HB HIS 34 10.002 9.869 -1.940 255 HD1 HIS 34 HD1 HIS 34 7.511 9.775 -0.526 256 HD2 HIS 34 HD2 HIS 34 10.546 7.123 0.534 257 HE1 HIS 34 HE1 HIS 34 7.012 9.019 1.840 258 H HIS 35 H HIS 35 8.471 7.324 -5.213 259 HA HIS 35 HA HIS 35 10.415 8.083 -6.914 260 1HB HIS 35 1HB HIS 35 8.571 8.355 -8.636 261 2HB HIS 35 2HB HIS 35 8.452 6.907 -7.653 262 HD1 HIS 35 HD1 HIS 35 6.987 10.305 -8.042 263 HD2 HIS 35 HD2 HIS 35 6.170 6.791 -5.982 264 HE1 HIS 35 HE1 HIS 35 4.682 10.596 -7.045 265 HA PRO 36 HA PRO 36 10.882 12.412 -7.222 266 1HB PRO 36 1HB PRO 36 11.247 12.763 -9.919 267 2HB PRO 36 2HB PRO 36 12.481 12.059 -8.853 268 1HG PRO 36 1HG PRO 36 10.535 10.689 -10.653 269 2HG PRO 36 2HG PRO 36 12.251 10.342 -10.377 270 1HD PRO 36 1HD PRO 36 10.294 8.891 -9.225 271 2HD PRO 36 2HD PRO 36 11.843 9.204 -8.409 272 H VAL 37 H VAL 37 9.199 13.820 -6.959 273 HA VAL 37 HA VAL 37 6.813 13.573 -8.723 274 HB VAL 37 HB VAL 37 7.419 14.279 -5.942 275 1HG1 VAL 37 1HG1 VAL 37 5.383 15.961 -7.437 276 2HG1 VAL 37 2HG1 VAL 37 6.909 16.555 -6.782 277 3HG1 VAL 37 3HG1 VAL 37 5.650 15.969 -5.694 278 1HG2 VAL 37 1HG2 VAL 37 4.642 13.908 -6.428 279 2HG2 VAL 37 2HG2 VAL 37 5.786 12.745 -5.758 280 3HG2 VAL 37 3HG2 VAL 37 5.507 12.805 -7.499 281 H ASN 38 H ASN 38 9.548 14.985 -9.156 282 HA ASN 38 HA ASN 38 8.645 17.108 -10.845 283 1HB ASN 38 1HB ASN 38 8.115 17.869 -8.412 284 2HB ASN 38 2HB ASN 38 9.840 18.090 -8.250 285 1HD2 ASN 38 2HD2 ASN 38 9.712 18.737 -11.356 286 2HD2 ASN 38 1HD2 ASN 38 9.296 20.382 -11.357 287 H GLY 39 H GLY 39 11.250 17.523 -8.543 288 1HA GLY 39 1HA GLY 39 13.233 16.689 -10.606 289 2HA GLY 39 2HA GLY 39 13.455 18.173 -9.668 290 H LYS 40 H LYS 40 11.868 16.042 -7.699 291 HA LYS 40 HA LYS 40 14.202 14.473 -6.808 292 1HB LYS 40 1HB LYS 40 14.164 15.636 -4.558 293 2HB LYS 40 2HB LYS 40 14.738 16.645 -5.886 294 1HG LYS 40 1HG LYS 40 12.151 17.255 -6.067 295 2HG LYS 40 2HG LYS 40 12.171 16.795 -4.364 296 1HD LYS 40 1HD LYS 40 13.658 18.500 -3.783 297 2HD LYS 40 2HD LYS 40 14.282 18.650 -5.425 298 1HE LYS 40 1HE LYS 40 12.136 19.632 -6.164 299 2HE LYS 40 2HE LYS 40 11.505 19.485 -4.511 300 1HZ LYS 40 1HZ LYS 40 12.994 21.017 -3.700 301 2HZ LYS 40 2HZ LYS 40 12.679 21.670 -5.236 302 3HZ LYS 40 3HZ LYS 40 14.104 20.785 -4.961 303 H GLU 41 H GLU 41 13.524 12.715 -5.586 304 HA GLU 41 HA GLU 41 10.781 11.932 -5.550 305 1HB GLU 41 1HB GLU 41 13.358 11.085 -4.308 306 2HB GLU 41 2HB GLU 41 11.871 10.358 -3.700 307 1HG GLU 41 1HG GLU 41 11.511 9.185 -5.629 308 2HG GLU 41 2HG GLU 41 12.105 10.495 -6.650 309 H ASP 42 H ASP 42 9.193 12.859 -4.307 310 HA ASP 42 HA ASP 42 9.698 14.526 -2.028 311 1HB ASP 42 1HB ASP 42 7.290 13.033 -3.085 312 2HB ASP 42 2HB ASP 42 7.199 14.113 -1.694 313 H TYR 43 H TYR 43 10.739 13.618 -0.274 314 HA TYR 43 HA TYR 43 10.166 10.839 0.534 315 1HB TYR 43 1HB TYR 43 11.982 13.005 1.644 316 2HB TYR 43 2HB TYR 43 11.995 11.315 2.149 317 HD1 TYR 43 HD1 TYR 43 12.441 9.520 0.362 318 HD2 TYR 43 HD2 TYR 43 13.195 13.705 -0.257 319 HE1 TYR 43 HE1 TYR 43 13.951 8.971 -1.525 320 HE2 TYR 43 HE2 TYR 43 14.704 13.154 -2.144 321 HH TYR 43 HH TYR 43 16.033 10.267 -2.649 322 H GLN 44 H GLN 44 7.785 11.938 0.908 323 HA GLN 44 HA GLN 44 7.644 12.488 3.850 324 1HB GLN 44 1HB GLN 44 5.820 14.159 3.205 325 2HB GLN 44 2HB GLN 44 7.464 14.625 2.768 326 1HG GLN 44 1HG GLN 44 7.100 13.765 0.481 327 2HG GLN 44 2HG GLN 44 5.451 13.314 0.916 328 1HE2 GLN 44 2HE2 GLN 44 7.186 16.294 1.898 329 2HE2 GLN 44 1HE2 GLN 44 6.119 17.359 1.120 330 H LYS 45 H LYS 45 5.220 12.305 4.546 331 HA LYS 45 HA LYS 45 4.269 9.736 4.323 332 1HB LYS 45 1HB LYS 45 1.984 10.837 4.720 333 2HB LYS 45 2HB LYS 45 3.261 11.237 5.861 334 1HG LYS 45 1HG LYS 45 3.741 13.303 4.540 335 2HG LYS 45 2HG LYS 45 2.371 12.914 3.498 336 1HD LYS 45 1HD LYS 45 0.812 13.406 5.128 337 2HD LYS 45 2HD LYS 45 1.895 12.961 6.446 338 1HE LYS 45 1HE LYS 45 2.749 15.073 6.611 339 2HE LYS 45 2HE LYS 45 2.799 15.286 4.850 340 1HZ LYS 45 1HZ LYS 45 0.537 15.774 4.763 341 2HZ LYS 45 2HZ LYS 45 1.059 16.616 6.143 342 3HZ LYS 45 3HZ LYS 45 0.232 15.142 6.308 343 H CYS 46 H CYS 46 3.346 8.513 2.767 344 HA CYS 46 HA CYS 46 3.269 9.133 0.042 345 1HB CYS 46 1HB CYS 46 1.573 7.289 1.741 346 2HB CYS 46 2HB CYS 46 1.668 7.191 -0.015 347 H ALA 47 H ALA 47 0.739 9.567 2.481 348 HA ALA 47 HA ALA 47 -1.026 10.848 0.433 349 1HB ALA 47 1HB ALA 47 -1.760 8.908 1.881 350 2HB ALA 47 2HB ALA 47 -2.785 10.341 2.001 351 3HB ALA 47 3HB ALA 47 -1.613 9.987 3.269 352 H THR 48 H THR 48 1.084 12.477 1.184 353 HA THR 48 HA THR 48 0.932 14.092 3.430 354 HB THR 48 HB THR 48 1.324 15.394 0.775 355 HG1 THR 48 1HG THR 48 3.334 13.697 1.657 356 1HG2 THR 48 1HG2 THR 48 2.830 16.645 1.930 357 2HG2 THR 48 2HG2 THR 48 3.473 15.248 2.793 358 3HG2 THR 48 3HG2 THR 48 1.989 16.023 3.349 359 H ALA 49 H ALA 49 0.259 16.620 2.998 360 HA ALA 49 HA ALA 49 -2.616 16.685 3.160 361 1HB ALA 49 1HB ALA 49 -1.149 18.251 4.323 362 2HB ALA 49 2HB ALA 49 -2.186 19.155 3.219 363 3HB ALA 49 3HB ALA 49 -0.507 18.833 2.788 364 H GLY 50 H GLY 50 -0.569 16.527 0.464 365 1HA GLY 50 1HA GLY 50 -2.823 17.244 -1.324 366 2HA GLY 50 2HA GLY 50 -1.303 18.113 -1.561 367 H CYS 51 H CYS 51 -1.027 14.947 -0.356 368 HA CYS 51 HA CYS 51 0.093 14.010 -2.938 369 1HB CYS 51 1HB CYS 51 0.602 13.891 -0.068 370 2HB CYS 51 2HB CYS 51 0.751 12.329 -0.808 371 H HIS 52 H HIS 52 -0.303 11.231 -1.372 372 HA HIS 52 HA HIS 52 -2.753 10.512 -2.797 373 1HB HIS 52 1HB HIS 52 -0.875 9.086 -0.900 374 2HB HIS 52 2HB HIS 52 -2.229 8.293 -1.679 375 HD1 HIS 52 HD1 HIS 52 -2.199 8.683 -4.402 376 HD2 HIS 52 HD2 HIS 52 1.434 8.905 -2.405 377 HE1 HIS 52 HE1 HIS 52 -0.401 8.346 -6.163 378 H ASP 53 H ASP 53 -3.723 12.417 -1.243 379 HA ASP 53 HA ASP 53 -4.640 11.198 1.325 380 1HB ASP 53 1HB ASP 53 -5.183 13.572 1.864 381 2HB ASP 53 2HB ASP 53 -3.488 13.357 1.420 382 H ASN 54 H ASN 54 -5.812 10.831 -1.586 383 HA ASN 54 HA ASN 54 -8.465 12.063 -1.351 384 1HB ASN 54 1HB ASN 54 -6.844 10.777 -3.316 385 2HB ASN 54 2HB ASN 54 -8.357 9.884 -3.215 386 1HD2 ASN 54 2HD2 ASN 54 -9.802 10.688 -4.736 387 2HD2 ASN 54 1HD2 ASN 54 -10.003 12.328 -5.121 388 H MET 55 H MET 55 -9.654 11.267 0.375 389 HA MET 55 HA MET 55 -9.508 8.472 1.206 390 1HB MET 55 1HB MET 55 -11.412 10.720 1.943 391 2HB MET 55 2HB MET 55 -11.131 9.250 2.872 392 1HG MET 55 1HG MET 55 -8.589 10.109 2.665 393 2HG MET 55 2HG MET 55 -9.417 11.664 2.586 394 1HE MET 55 1HE MET 55 -9.051 8.339 4.277 395 2HE MET 55 2HE MET 55 -10.795 8.437 4.520 396 3HE MET 55 3HE MET 55 -9.712 8.521 5.909 397 H ASP 56 H ASP 56 -10.581 9.249 -1.588 398 HA ASP 56 HA ASP 56 -13.417 8.532 -1.512 399 1HB ASP 56 1HB ASP 56 -11.959 9.980 -3.184 400 2HB ASP 56 2HB ASP 56 -11.664 8.419 -3.951 401 H LYS 57 H LYS 57 -10.396 6.855 -1.607 402 HA LYS 57 HA LYS 57 -9.899 4.549 -1.740 403 1HB LYS 57 1HB LYS 57 -12.887 4.361 -1.272 404 2HB LYS 57 2HB LYS 57 -11.692 3.118 -0.906 405 1HG LYS 57 1HG LYS 57 -10.783 4.338 0.876 406 2HG LYS 57 2HG LYS 57 -11.423 5.869 0.280 407 1HD LYS 57 1HD LYS 57 -12.678 5.035 2.262 408 2HD LYS 57 2HD LYS 57 -13.701 5.169 0.830 409 1HE LYS 57 1HE LYS 57 -12.410 2.552 0.978 410 2HE LYS 57 2HE LYS 57 -13.414 2.883 2.404 411 1HZ LYS 57 1HZ LYS 57 -15.083 3.792 0.720 412 2HZ LYS 57 2HZ LYS 57 -14.930 2.104 0.835 413 3HZ LYS 57 3HZ LYS 57 -14.193 2.941 -0.446 414 H LYS 58 H LYS 58 -11.228 6.188 -4.106 415 HA LYS 58 HA LYS 58 -11.309 3.868 -5.948 416 1HB LYS 58 1HB LYS 58 -13.587 5.855 -5.677 417 2HB LYS 58 2HB LYS 58 -13.541 4.447 -6.740 418 1HG LYS 58 1HG LYS 58 -13.282 3.005 -4.689 419 2HG LYS 58 2HG LYS 58 -13.569 4.445 -3.711 420 1HD LYS 58 1HD LYS 58 -15.794 4.359 -4.078 421 2HD LYS 58 2HD LYS 58 -15.567 4.150 -5.814 422 1HE LYS 58 1HE LYS 58 -14.734 1.713 -4.648 423 2HE LYS 58 2HE LYS 58 -16.255 2.149 -3.843 424 1HZ LYS 58 1HZ LYS 58 -17.340 2.410 -5.895 425 2HZ LYS 58 2HZ LYS 58 -16.471 0.959 -6.050 426 3HZ LYS 58 3HZ LYS 58 -15.890 2.382 -6.773 427 H ASP 59 H ASP 59 -9.946 6.685 -5.338 428 HA ASP 59 HA ASP 59 -10.411 8.386 -7.579 429 1HB ASP 59 1HB ASP 59 -9.214 9.265 -5.750 430 2HB ASP 59 2HB ASP 59 -8.149 7.865 -5.660 431 H LYS 60 H LYS 60 -8.481 5.462 -7.225 432 HA LYS 60 HA LYS 60 -7.090 4.325 -8.780 433 1HB LYS 60 1HB LYS 60 -9.685 5.073 -9.865 434 2HB LYS 60 2HB LYS 60 -8.488 4.889 -11.148 435 1HG LYS 60 1HG LYS 60 -8.982 2.839 -8.970 436 2HG LYS 60 2HG LYS 60 -9.663 2.748 -10.594 437 1HD LYS 60 1HD LYS 60 -6.770 3.224 -10.591 438 2HD LYS 60 2HD LYS 60 -7.222 1.699 -9.828 439 1HE LYS 60 1HE LYS 60 -8.329 0.919 -11.793 440 2HE LYS 60 2HE LYS 60 -8.323 2.536 -12.525 441 1HZ LYS 60 1HZ LYS 60 -6.508 1.106 -13.360 442 2HZ LYS 60 2HZ LYS 60 -5.880 1.015 -11.785 443 3HZ LYS 60 3HZ LYS 60 -5.938 2.508 -12.594 444 H SER 61 H SER 61 -6.599 7.326 -8.360 445 HA SER 61 HA SER 61 -5.240 7.874 -10.980 446 1HB SER 61 1HB SER 61 -7.123 9.338 -9.482 447 2HB SER 61 2HB SER 61 -5.586 10.157 -9.221 448 HG SER 61 HG SER 61 -5.421 9.822 -11.654 449 H ALA 62 H ALA 62 -3.445 9.754 -10.303 450 HA ALA 62 HA ALA 62 -1.509 8.290 -8.648 451 1HB ALA 62 1HB ALA 62 -1.580 10.336 -10.703 452 2HB ALA 62 2HB ALA 62 -0.236 9.302 -10.217 453 3HB ALA 62 3HB ALA 62 -0.524 10.826 -9.378 454 H LYS 63 H LYS 63 -4.042 10.135 -7.775 455 HA LYS 63 HA LYS 63 -2.557 11.456 -5.523 456 1HB LYS 63 1HB LYS 63 -4.028 12.615 -7.536 457 2HB LYS 63 2HB LYS 63 -5.241 12.439 -6.266 458 1HG LYS 63 1HG LYS 63 -4.365 14.194 -5.170 459 2HG LYS 63 2HG LYS 63 -2.811 13.367 -5.068 460 1HD LYS 63 1HD LYS 63 -1.971 14.412 -6.956 461 2HD LYS 63 2HD LYS 63 -3.569 14.643 -7.666 462 1HE LYS 63 1HE LYS 63 -4.028 16.304 -5.769 463 2HE LYS 63 2HE LYS 63 -2.288 16.232 -5.428 464 1HZ LYS 63 1HZ LYS 63 -2.710 17.977 -7.016 465 2HZ LYS 63 2HZ LYS 63 -3.548 16.907 -8.034 466 3HZ LYS 63 3HZ LYS 63 -1.878 16.717 -7.788 467 H GLY 64 H GLY 64 -4.612 8.943 -6.290 468 1HA GLY 64 1HA GLY 64 -6.266 9.198 -3.846 469 2HA GLY 64 2HA GLY 64 -6.486 7.997 -5.108 470 H TYR 65 H TYR 65 -5.752 8.156 -2.009 471 HA TYR 65 HA TYR 65 -3.318 6.768 -1.598 472 1HB TYR 65 1HB TYR 65 -5.232 7.861 -0.072 473 2HB TYR 65 2HB TYR 65 -5.753 6.182 0.048 474 HD1 TYR 65 HD1 TYR 65 -2.196 6.942 -0.465 475 HD2 TYR 65 HD2 TYR 65 -5.238 6.157 2.467 476 HE1 TYR 65 HE1 TYR 65 -0.448 6.527 1.236 477 HE2 TYR 65 HE2 TYR 65 -3.482 5.739 4.168 478 HH TYR 65 HH TYR 65 -0.069 6.304 3.464 479 H TYR 66 H TYR 66 -6.604 5.355 -1.599 480 HA TYR 66 HA TYR 66 -6.110 2.658 -1.559 481 1HB TYR 66 1HB TYR 66 -8.199 4.308 -2.089 482 2HB TYR 66 2HB TYR 66 -7.963 3.585 -3.679 483 HD1 TYR 66 HD1 TYR 66 -7.805 1.016 -3.815 484 HD2 TYR 66 HD2 TYR 66 -9.299 3.129 -0.391 485 HE1 TYR 66 HE1 TYR 66 -8.950 -1.046 -3.047 486 HE2 TYR 66 HE2 TYR 66 -10.447 1.069 0.378 487 HH TYR 66 HH TYR 66 -10.334 -1.928 -1.549 488 H HIS 67 H HIS 67 -6.507 4.329 -4.695 489 HA HIS 67 HA HIS 67 -5.716 2.414 -6.467 490 1HB HIS 67 1HB HIS 67 -6.349 4.652 -7.130 491 2HB HIS 67 2HB HIS 67 -4.910 5.330 -6.364 492 HD1 HIS 67 HD1 HIS 67 -5.662 2.663 -8.982 493 HD2 HIS 67 HD2 HIS 67 -2.844 5.626 -8.179 494 HE1 HIS 67 HE1 HIS 67 -3.963 2.555 -10.848 495 H ALA 68 H ALA 68 -3.204 4.789 -5.771 496 HA ALA 68 HA ALA 68 -0.980 3.302 -6.480 497 1HB ALA 68 1HB ALA 68 -1.591 5.524 -4.596 498 2HB ALA 68 2HB ALA 68 -0.483 5.486 -5.967 499 3HB ALA 68 3HB ALA 68 -0.005 4.772 -4.426 500 H MET 69 H MET 69 -2.907 2.897 -3.563 501 HA MET 69 HA MET 69 -0.828 1.304 -2.219 502 1HB MET 69 1HB MET 69 -3.695 2.016 -1.580 503 2HB MET 69 2HB MET 69 -2.600 1.191 -0.475 504 1HG MET 69 1HG MET 69 -1.438 3.611 -1.649 505 2HG MET 69 2HG MET 69 -2.878 3.931 -0.686 506 1HE MET 69 1HE MET 69 0.116 5.012 0.110 507 2HE MET 69 2HE MET 69 0.631 3.648 -0.880 508 3HE MET 69 3HE MET 69 1.168 3.764 0.794 509 H HIS 70 H HIS 70 -3.858 0.676 -3.981 510 HA HIS 70 HA HIS 70 -3.439 -2.236 -3.431 511 1HB HIS 70 1HB HIS 70 -5.906 -0.727 -4.350 512 2HB HIS 70 2HB HIS 70 -5.842 -2.417 -3.850 513 HD1 HIS 70 HD1 HIS 70 -5.939 1.051 -2.513 514 HD2 HIS 70 HD2 HIS 70 -5.384 -2.799 -1.022 515 HE1 HIS 70 HE1 HIS 70 -6.143 1.226 0.004 516 H ASP 71 H ASP 71 -3.172 0.122 -5.890 517 HA ASP 71 HA ASP 71 -3.815 -1.700 -8.116 518 1HB ASP 71 1HB ASP 71 -2.821 1.129 -7.785 519 2HB ASP 71 2HB ASP 71 -2.904 0.372 -9.374 520 H LYS 72 H LYS 72 -2.178 -2.232 -9.770 521 HA LYS 72 HA LYS 72 0.568 -2.508 -8.597 522 1HB LYS 72 1HB LYS 72 0.684 -4.593 -9.854 523 2HB LYS 72 2HB LYS 72 -0.815 -4.582 -8.925 524 1HG LYS 72 1HG LYS 72 -1.972 -3.668 -10.984 525 2HG LYS 72 2HG LYS 72 -0.480 -3.980 -11.873 526 1HD LYS 72 1HD LYS 72 -0.707 -6.279 -11.727 527 2HD LYS 72 2HD LYS 72 -1.632 -6.197 -10.228 528 1HE LYS 72 1HE LYS 72 -3.602 -5.386 -11.437 529 2HE LYS 72 2HE LYS 72 -2.679 -5.350 -12.953 530 1HZ LYS 72 1HZ LYS 72 -2.120 -7.786 -12.258 531 2HZ LYS 72 2HZ LYS 72 -3.580 -7.442 -13.056 532 3HZ LYS 72 3HZ LYS 72 -3.561 -7.664 -11.372 533 H GLY 73 H GLY 73 -1.221 -2.088 -11.656 534 1HA GLY 73 1HA GLY 73 1.184 -1.373 -13.143 535 2HA GLY 73 2HA GLY 73 -0.475 -1.235 -13.733 536 H THR 74 H THR 74 1.471 0.220 -11.115 537 HA THR 74 HA THR 74 0.175 2.848 -11.710 538 HB THR 74 HB THR 74 1.300 3.247 -9.366 539 HG1 THR 74 1HG THR 74 2.486 1.222 -9.626 540 1HG2 THR 74 1HG2 THR 74 -1.042 1.406 -9.885 541 2HG2 THR 74 2HG2 THR 74 -1.088 3.139 -9.562 542 3HG2 THR 74 3HG2 THR 74 -0.640 2.014 -8.279 543 H LYS 75 H LYS 75 1.587 4.776 -11.619 544 HA LYS 75 HA LYS 75 3.761 4.921 -13.281 545 1HB LYS 75 1HB LYS 75 2.474 6.626 -11.652 546 2HB LYS 75 2HB LYS 75 3.925 6.401 -10.681 547 1HG LYS 75 1HG LYS 75 4.079 8.328 -12.284 548 2HG LYS 75 2HG LYS 75 5.335 7.115 -12.520 549 1HD LYS 75 1HD LYS 75 2.981 6.439 -14.062 550 2HD LYS 75 2HD LYS 75 3.527 8.070 -14.454 551 1HE LYS 75 1HE LYS 75 5.766 6.200 -14.214 552 2HE LYS 75 2HE LYS 75 4.618 5.727 -15.484 553 1HZ LYS 75 1HZ LYS 75 5.589 8.507 -15.128 554 2HZ LYS 75 2HZ LYS 75 4.718 7.873 -16.440 555 3HZ LYS 75 3HZ LYS 75 6.331 7.404 -16.181 556 H PHE 76 H PHE 76 3.760 3.790 -9.937 557 HA PHE 76 HA PHE 76 6.543 2.747 -10.322 558 1HB PHE 76 1HB PHE 76 5.446 4.175 -7.882 559 2HB PHE 76 2HB PHE 76 7.081 3.555 -8.075 560 HD1 PHE 76 HD1 PHE 76 8.525 4.528 -9.962 561 HD2 PHE 76 HD2 PHE 76 4.820 6.282 -8.683 562 HE1 PHE 76 HE1 PHE 76 9.151 6.662 -11.061 563 HE2 PHE 76 HE2 PHE 76 5.446 8.412 -9.778 564 HZ PHE 76 HZ PHE 76 7.605 8.597 -10.965 565 H LYS 77 H LYS 77 7.026 1.146 -8.399 566 HA LYS 77 HA LYS 77 4.884 -0.801 -8.310 567 1HB LYS 77 1HB LYS 77 6.431 -1.967 -6.794 568 2HB LYS 77 2HB LYS 77 7.280 -1.380 -8.223 569 1HG LYS 77 1HG LYS 77 7.714 0.743 -6.741 570 2HG LYS 77 2HG LYS 77 7.382 -0.360 -5.406 571 1HD LYS 77 1HD LYS 77 9.539 -0.601 -7.516 572 2HD LYS 77 2HD LYS 77 9.752 -0.459 -5.771 573 1HE LYS 77 1HE LYS 77 9.523 -2.700 -5.484 574 2HE LYS 77 2HE LYS 77 8.071 -2.750 -6.503 575 1HZ LYS 77 1HZ LYS 77 9.295 -2.974 -8.410 576 2HZ LYS 77 2HZ LYS 77 10.283 -3.834 -7.328 577 3HZ LYS 77 3HZ LYS 77 10.675 -2.237 -7.757 578 H SER 78 H SER 78 3.150 -0.469 -7.153 579 HA SER 78 HA SER 78 2.943 1.456 -4.991 580 1HB SER 78 1HB SER 78 0.619 -0.027 -5.070 581 2HB SER 78 2HB SER 78 0.956 1.382 -6.070 582 HG SER 78 HG SER 78 0.350 -0.678 -7.149 583 H CYS 79 H CYS 79 1.534 0.606 -3.019 584 HA CYS 79 HA CYS 79 3.171 -1.043 -1.373 585 1HB CYS 79 1HB CYS 79 0.250 -0.237 -1.258 586 2HB CYS 79 2HB CYS 79 1.121 -0.957 0.093 587 H VAL 80 H VAL 80 -0.157 -1.824 -2.413 588 HA VAL 80 HA VAL 80 0.168 -4.666 -1.989 589 HB VAL 80 HB VAL 80 -1.816 -2.900 -3.427 590 1HG1 VAL 80 1HG1 VAL 80 -1.471 -5.803 -3.574 591 2HG1 VAL 80 2HG1 VAL 80 -2.477 -4.742 -4.561 592 3HG1 VAL 80 3HG1 VAL 80 -3.074 -5.332 -3.010 593 1HG2 VAL 80 1HG2 VAL 80 -2.607 -4.605 -1.141 594 2HG2 VAL 80 2HG2 VAL 80 -2.972 -2.909 -1.455 595 3HG2 VAL 80 3HG2 VAL 80 -1.419 -3.360 -0.753 596 H GLY 81 H GLY 81 0.700 -2.501 -4.705 597 1HA GLY 81 1HA GLY 81 0.770 -4.499 -6.779 598 2HA GLY 81 2HA GLY 81 1.501 -2.896 -6.880 599 H CYS 82 H CYS 82 3.281 -3.039 -4.715 600 HA CYS 82 HA CYS 82 5.449 -4.623 -5.870 601 1HB CYS 82 1HB CYS 82 5.474 -2.343 -4.599 602 2HB CYS 82 2HB CYS 82 5.379 -3.323 -3.140 603 H HIS 83 H HIS 83 3.032 -4.980 -3.437 604 HA HIS 83 HA HIS 83 4.286 -7.089 -1.902 605 1HB HIS 83 1HB HIS 83 1.643 -5.724 -2.179 606 2HB HIS 83 2HB HIS 83 1.684 -7.245 -1.311 607 HD1 HIS 83 HD1 HIS 83 1.219 -5.891 0.934 608 HD2 HIS 83 HD2 HIS 83 4.830 -4.985 -0.946 609 HE1 HIS 83 HE1 HIS 83 2.622 -4.655 2.638 610 H LEU 84 H LEU 84 1.449 -7.186 -4.140 611 HA LEU 84 HA LEU 84 1.170 -9.950 -4.383 612 1HB LEU 84 1HB LEU 84 0.273 -7.581 -5.583 613 2HB LEU 84 2HB LEU 84 0.934 -8.528 -6.911 614 HG LEU 84 HG LEU 84 -0.832 -9.864 -4.898 615 1HD1 LEU 84 1HD1 LEU 84 -1.883 -7.674 -5.789 616 2HD1 LEU 84 2HD1 LEU 84 -2.824 -9.156 -5.962 617 3HD1 LEU 84 3HD1 LEU 84 -1.952 -8.500 -7.346 618 1HD2 LEU 84 1HD2 LEU 84 -0.093 -10.232 -7.803 619 2HD2 LEU 84 2HD2 LEU 84 -1.487 -11.055 -7.102 620 3HD2 LEU 84 3HD2 LEU 84 0.129 -11.360 -6.465 621 H GLU 85 H GLU 85 3.646 -7.846 -5.720 622 HA GLU 85 HA GLU 85 4.729 -9.980 -7.467 623 1HB GLU 85 1HB GLU 85 5.275 -7.064 -6.918 624 2HB GLU 85 2HB GLU 85 6.426 -8.029 -7.842 625 1HG GLU 85 1HG GLU 85 4.125 -8.743 -9.081 626 2HG GLU 85 2HG GLU 85 3.709 -7.101 -8.590 627 H THR 86 H THR 86 5.839 -7.976 -4.703 628 HA THR 86 HA THR 86 8.349 -9.219 -4.289 629 HB THR 86 HB THR 86 6.316 -7.813 -2.560 630 HG1 THR 86 1HG THR 86 7.432 -6.317 -3.528 631 1HG2 THR 86 1HG2 THR 86 7.490 -9.537 -1.164 632 2HG2 THR 86 2HG2 THR 86 7.832 -7.878 -0.671 633 3HG2 THR 86 3HG2 THR 86 9.023 -8.783 -1.606 634 H ALA 87 H ALA 87 5.150 -10.425 -3.774 635 HA ALA 87 HA ALA 87 6.016 -12.528 -1.881 636 1HB ALA 87 1HB ALA 87 3.444 -13.088 -2.486 637 2HB ALA 87 2HB ALA 87 3.489 -11.400 -2.996 638 3HB ALA 87 3HB ALA 87 3.884 -11.829 -1.331 639 H GLY 88 H GLY 88 5.065 -12.147 -5.260 640 1HA GLY 88 1HA GLY 88 5.224 -13.615 -7.080 641 2HA GLY 88 2HA GLY 88 6.506 -14.416 -6.170 642 H ALA 89 H ALA 89 5.968 -16.560 -6.348 643 HA ALA 89 HA ALA 89 3.160 -17.433 -6.036 644 1HB ALA 89 1HB ALA 89 5.563 -19.215 -6.270 645 2HB ALA 89 2HB ALA 89 5.065 -18.247 -7.657 646 3HB ALA 89 3HB ALA 89 3.956 -19.427 -6.961 647 H ASP 90 H ASP 90 4.053 -16.271 -3.664 648 HA ASP 90 HA ASP 90 4.556 -18.632 -1.898 649 1HB ASP 90 1HB ASP 90 6.396 -17.025 -1.977 650 2HB ASP 90 2HB ASP 90 5.290 -15.703 -1.612 651 H ALA 91 H ALA 91 2.205 -18.898 -1.938 652 HA ALA 91 HA ALA 91 0.133 -17.214 -1.352 653 1HB ALA 91 1HB ALA 91 0.713 -19.856 0.029 654 2HB ALA 91 2HB ALA 91 0.033 -19.687 -1.589 655 3HB ALA 91 3HB ALA 91 -0.882 -19.134 -0.186 656 H ALA 92 H ALA 92 2.737 -18.067 0.846 657 HA ALA 92 HA ALA 92 1.470 -16.988 3.242 658 1HB ALA 92 1HB ALA 92 3.534 -17.563 4.248 659 2HB ALA 92 2HB ALA 92 4.433 -17.300 2.754 660 3HB ALA 92 3HB ALA 92 3.404 -18.721 2.926 661 H LYS 93 H LYS 93 3.819 -15.869 0.843 662 HA LYS 93 HA LYS 93 4.167 -13.241 2.047 663 1HB LYS 93 1HB LYS 93 5.013 -14.809 -0.319 664 2HB LYS 93 2HB LYS 93 5.034 -13.063 -0.529 665 1HG LYS 93 1HG LYS 93 6.329 -12.931 1.650 666 2HG LYS 93 2HG LYS 93 6.470 -14.688 1.577 667 1HD LYS 93 1HD LYS 93 7.429 -14.352 -0.782 668 2HD LYS 93 2HD LYS 93 7.587 -12.649 -0.352 669 1HE LYS 93 1HE LYS 93 8.889 -13.398 1.706 670 2HE LYS 93 2HE LYS 93 8.926 -15.019 0.985 671 1HZ LYS 93 1HZ LYS 93 9.862 -14.070 -1.029 672 2HZ LYS 93 2HZ LYS 93 10.857 -13.718 0.303 673 3HZ LYS 93 3HZ LYS 93 9.838 -12.520 -0.342 674 H LYS 94 H LYS 94 1.969 -14.737 -0.229 675 HA LYS 94 HA LYS 94 0.996 -12.228 -1.384 676 1HB LYS 94 1HB LYS 94 0.782 -15.044 -1.797 677 2HB LYS 94 2HB LYS 94 -0.854 -14.419 -1.590 678 1HG LYS 94 1HG LYS 94 0.422 -12.526 -3.214 679 2HG LYS 94 2HG LYS 94 0.963 -14.087 -3.835 680 1HD LYS 94 1HD LYS 94 -1.836 -14.264 -3.237 681 2HD LYS 94 2HD LYS 94 -1.561 -12.834 -4.233 682 1HE LYS 94 1HE LYS 94 0.053 -14.725 -5.453 683 2HE LYS 94 2HE LYS 94 -1.371 -15.669 -4.973 684 1HZ LYS 94 1HZ LYS 94 -1.465 -13.041 -6.360 685 2HZ LYS 94 2HZ LYS 94 -2.797 -14.015 -5.954 686 3HZ LYS 94 3HZ LYS 94 -1.682 -14.539 -7.124 687 H LYS 95 H LYS 95 0.285 -14.194 1.411 688 HA LYS 95 HA LYS 95 -2.308 -12.876 1.932 689 1HB LYS 95 1HB LYS 95 -2.497 -14.523 3.615 690 2HB LYS 95 2HB LYS 95 -1.542 -15.334 2.375 691 1HG LYS 95 1HG LYS 95 -0.034 -15.738 4.008 692 2HG LYS 95 2HG LYS 95 0.378 -14.028 3.890 693 1HD LYS 95 1HD LYS 95 -1.599 -13.650 5.523 694 2HD LYS 95 2HD LYS 95 -1.477 -15.380 5.844 695 1HE LYS 95 1HE LYS 95 0.937 -13.557 6.010 696 2HE LYS 95 2HE LYS 95 -0.113 -13.870 7.406 697 1HZ LYS 95 1HZ LYS 95 0.947 -16.067 5.733 698 2HZ LYS 95 2HZ LYS 95 0.297 -16.153 7.300 699 3HZ LYS 95 3HZ LYS 95 1.827 -15.459 7.049 700 H GLU 96 H GLU 96 1.036 -12.471 2.682 701 HA GLU 96 HA GLU 96 0.516 -10.761 5.053 702 1HB GLU 96 1HB GLU 96 2.927 -10.908 5.282 703 2HB GLU 96 2HB GLU 96 2.335 -12.509 4.878 704 1HG GLU 96 1HG GLU 96 2.952 -12.195 2.562 705 2HG GLU 96 2HG GLU 96 3.434 -10.528 2.886 706 H LEU 97 H LEU 97 1.941 -10.588 1.823 707 HA LEU 97 HA LEU 97 2.399 -7.706 1.911 708 1HB LEU 97 1HB LEU 97 2.367 -9.713 -0.353 709 2HB LEU 97 2HB LEU 97 3.101 -8.109 -0.403 710 HG LEU 97 HG LEU 97 3.950 -10.499 1.228 711 1HD1 LEU 97 1HD1 LEU 97 6.175 -9.353 0.213 712 2HD1 LEU 97 2HD1 LEU 97 4.996 -8.857 -1.001 713 3HD1 LEU 97 3HD1 LEU 97 5.233 -10.569 -0.650 714 1HD2 LEU 97 1HD2 LEU 97 4.801 -7.607 1.594 715 2HD2 LEU 97 2HD2 LEU 97 5.511 -8.995 2.416 716 3HD2 LEU 97 3HD2 LEU 97 3.839 -8.540 2.741 717 H THR 98 H THR 98 0.328 -9.661 -0.260 718 HA THR 98 HA THR 98 -1.330 -7.273 -0.779 719 HB THR 98 HB THR 98 -2.386 -8.868 -2.418 720 HG1 THR 98 1HG THR 98 -1.965 -10.779 -1.292 721 1HG2 THR 98 1HG2 THR 98 -0.738 -8.349 -3.890 722 2HG2 THR 98 2HG2 THR 98 0.492 -9.186 -2.942 723 3HG2 THR 98 3HG2 THR 98 0.015 -7.543 -2.517 724 H GLY 99 H GLY 99 -1.355 -9.766 1.493 725 1HA GLY 99 1HA GLY 99 -4.095 -10.489 1.617 726 2HA GLY 99 2HA GLY 99 -3.010 -10.465 3.007 727 H CYS 100 H CYS 100 -5.832 -9.202 1.955 728 HA CYS 100 HA CYS 100 -5.504 -6.433 2.845 729 1HB CYS 100 1HB CYS 100 -8.188 -7.619 2.685 730 2HB CYS 100 2HB CYS 100 -7.578 -6.164 1.948 731 H LYS 101 H LYS 101 -7.616 -9.063 4.009 732 HA LYS 101 HA LYS 101 -7.646 -7.729 6.665 733 1HB LYS 101 1HB LYS 101 -9.328 -9.766 5.219 734 2HB LYS 101 2HB LYS 101 -9.532 -9.490 6.948 735 1HG LYS 101 1HG LYS 101 -10.029 -7.148 6.579 736 2HG LYS 101 2HG LYS 101 -9.641 -7.293 4.864 737 1HD LYS 101 1HD LYS 101 -11.709 -8.047 4.385 738 2HD LYS 101 2HD LYS 101 -11.615 -9.271 5.652 739 1HE LYS 101 1HE LYS 101 -11.888 -6.710 6.915 740 2HE LYS 101 2HE LYS 101 -13.153 -6.869 5.680 741 1HZ LYS 101 1HZ LYS 101 -13.597 -9.117 6.532 742 2HZ LYS 101 2HZ LYS 101 -13.885 -7.922 7.705 743 3HZ LYS 101 3HZ LYS 101 -12.473 -8.864 7.778 744 H GLY 102 H GLY 102 -5.469 -9.689 5.501 745 1HA GLY 102 1HA GLY 102 -5.086 -11.095 8.049 746 2HA GLY 102 2HA GLY 102 -5.382 -12.161 6.676 747 H SER 103 H SER 103 -3.582 -9.102 6.566 748 HA SER 103 HA SER 103 -1.142 -10.691 5.881 749 1HB SER 103 1HB SER 103 -0.919 -9.363 4.040 750 2HB SER 103 2HB SER 103 -2.646 -9.183 4.244 751 HG SER 103 HG SER 103 -1.087 -7.238 4.122 752 H LYS 104 H LYS 104 0.359 -8.200 5.617 753 HA LYS 104 HA LYS 104 0.912 -7.675 8.503 754 1HB LYS 104 1HB LYS 104 2.409 -7.186 5.908 755 2HB LYS 104 2HB LYS 104 3.056 -6.859 7.515 756 1HG LYS 104 1HG LYS 104 1.989 -9.597 6.919 757 2HG LYS 104 2HG LYS 104 3.590 -9.157 6.324 758 1HD LYS 104 1HD LYS 104 4.078 -8.367 8.725 759 2HD LYS 104 2HD LYS 104 2.625 -9.256 9.184 760 1HE LYS 104 1HE LYS 104 3.960 -11.092 7.600 761 2HE LYS 104 2HE LYS 104 5.281 -10.290 8.472 762 1HZ LYS 104 1HZ LYS 104 2.837 -10.952 9.948 763 2HZ LYS 104 2HZ LYS 104 4.444 -10.880 10.496 764 3HZ LYS 104 3HZ LYS 104 3.912 -12.215 9.591 765 H CYS 105 H CYS 105 -0.137 -6.291 5.524 766 HA CYS 105 HA CYS 105 0.269 -3.503 6.231 767 1HB CYS 105 1HB CYS 105 -0.127 -5.061 3.985 768 2HB CYS 105 2HB CYS 105 -1.660 -4.248 4.157 769 H HIS 106 H HIS 106 -2.294 -5.858 6.662 770 HA HIS 106 HA HIS 106 -4.045 -3.684 7.770 771 1HB HIS 106 1HB HIS 106 -4.519 -5.996 5.944 772 2HB HIS 106 2HB HIS 106 -5.814 -5.569 7.061 773 HD1 HIS 106 HD1 HIS 106 -5.134 -2.452 7.013 774 HD2 HIS 106 HD2 HIS 106 -5.833 -4.858 3.661 775 HE1 HIS 106 HE1 HIS 106 -5.746 -0.884 5.128 776 H SER 107 H SER 107 -2.602 -4.464 9.739 777 HA SER 107 HA SER 107 -3.172 -7.050 10.912 778 1HB SER 107 1HB SER 107 -1.147 -5.775 11.395 779 2HB SER 107 2HB SER 107 -2.104 -4.431 12.012 780 HG SER 107 HG SER 107 -1.202 -5.993 13.588 781 HHA HEC 201 HHA HEC 201 5.918 8.660 5.646 782 HHB HEC 201 HHB HEC 201 12.056 9.746 4.861 783 HHC HEC 201 HHC HEC 201 12.486 4.745 1.025 784 HHD HEC 201 HHD HEC 201 6.390 3.664 1.716 785 1HMA HEC 201 1HMA HEC 201 11.277 10.697 6.914 786 2HMA HEC 201 2HMA HEC 201 9.813 10.807 7.895 787 3HMA HEC 201 3HMA HEC 201 10.074 11.939 6.567 788 1HAA HEC 201 1HAA HEC 201 6.455 9.745 7.276 789 2HAA HEC 201 2HAA HEC 201 7.758 10.764 7.879 790 1HBA HEC 201 1HBA HEC 201 6.698 11.537 5.235 791 2HBA HEC 201 2HBA HEC 201 5.563 11.715 6.573 792 1HMB HEC 201 1HMB HEC 201 15.060 8.167 4.517 793 2HMB HEC 201 2HMB HEC 201 13.989 9.567 4.476 794 3HMB HEC 201 3HMB HEC 201 14.928 9.135 3.049 795 HAB HEC 201 HAB HEC 201 14.402 5.440 1.318 796 1HBB HEC 201 1HBB HEC 201 15.628 4.757 3.122 797 2HBB HEC 201 2HBB HEC 201 15.440 6.297 3.958 798 3HBB HEC 201 3HBB HEC 201 16.653 6.125 2.691 799 1HMC HEC 201 1HMC HEC 201 12.177 2.919 0.196 800 2HMC HEC 201 2HMC HEC 201 11.011 1.598 0.121 801 3HMC HEC 201 3HMC HEC 201 10.997 2.858 -1.114 802 HAC HEC 201 HAC HEC 201 6.993 2.362 0.526 803 1HBC HEC 201 1HBC HEC 201 9.226 0.768 1.086 804 2HBC HEC 201 2HBC HEC 201 8.851 0.456 -0.607 805 3HBC HEC 201 3HBC HEC 201 7.618 0.209 0.629 806 1HMD HEC 201 1HMD HEC 201 3.368 4.620 2.754 807 2HMD HEC 201 2HMD HEC 201 3.672 4.106 4.415 808 3HMD HEC 201 3HMD HEC 201 4.566 3.370 3.087 809 1HAD HEC 201 1HAD HEC 201 4.185 7.951 5.544 810 2HAD HEC 201 2HAD HEC 201 3.175 7.403 4.210 811 1HBD HEC 201 1HBD HEC 201 2.644 5.369 5.310 812 2HBD HEC 201 2HBD HEC 201 3.949 5.573 6.479 813 HHA HEC 202 HHA HEC 202 1.623 7.721 -9.493 814 HHB HEC 202 HHB HEC 202 2.924 4.157 -4.835 815 HHC HEC 202 HHC HEC 202 4.542 9.024 -1.229 816 HHD HEC 202 HHD HEC 202 2.570 12.958 -5.843 817 1HMA HEC 202 1HMA HEC 202 0.497 3.280 -7.576 818 2HMA HEC 202 2HMA HEC 202 1.023 3.254 -5.893 819 3HMA HEC 202 3HMA HEC 202 2.162 2.857 -7.180 820 1HAA HEC 202 1HAA HEC 202 1.162 5.264 -10.017 821 2HAA HEC 202 2HAA HEC 202 0.048 4.447 -8.962 822 1HBA HEC 202 1HBA HEC 202 -1.236 6.497 -8.669 823 2HBA HEC 202 2HBA HEC 202 -0.105 7.372 -9.695 824 1HMB HEC 202 1HMB HEC 202 3.023 3.534 -2.344 825 2HMB HEC 202 2HMB HEC 202 4.506 3.826 -1.435 826 3HMB HEC 202 3HMB HEC 202 4.588 3.427 -3.150 827 HAB HEC 202 HAB HEC 202 4.240 7.079 0.086 828 1HBB HEC 202 1HBB HEC 202 6.459 5.265 0.028 829 2HBB HEC 202 2HBB HEC 202 6.475 6.996 0.362 830 3HBB HEC 202 3HBB HEC 202 6.639 6.414 -1.295 831 1HMC HEC 202 1HMC HEC 202 5.368 11.000 -0.805 832 2HMC HEC 202 2HMC HEC 202 5.393 12.682 -1.334 833 3HMC HEC 202 3HMC HEC 202 3.993 12.051 -0.467 834 HAC HEC 202 HAC HEC 202 2.699 14.055 -4.056 835 1HBC HEC 202 1HBC HEC 202 4.403 15.211 -2.200 836 2HBC HEC 202 2HBC HEC 202 4.741 15.097 -3.927 837 3HBC HEC 202 3HBC HEC 202 5.386 13.885 -2.821 838 1HMD HEC 202 1HMD HEC 202 0.948 13.425 -8.136 839 2HMD HEC 202 2HMD HEC 202 1.679 13.016 -9.688 840 3HMD HEC 202 3HMD HEC 202 2.690 13.588 -8.360 841 1HAD HEC 202 1HAD HEC 202 1.812 9.321 -10.722 842 2HAD HEC 202 2HAD HEC 202 0.968 10.861 -10.812 843 1HBD HEC 202 1HBD HEC 202 3.435 11.814 -10.469 844 2HBD HEC 202 2HBD HEC 202 3.866 10.255 -11.174 845 HHA HEC 203 HHA HEC 203 7.117 -6.820 4.617 846 HHB HEC 203 HHB HEC 203 2.732 -2.052 4.859 847 HHC HEC 203 HHC HEC 203 4.691 0.047 -0.516 848 HHD HEC 203 HHD HEC 203 8.979 -4.527 -0.951 849 1HMA HEC 203 1HMA HEC 203 3.022 -5.015 7.472 850 2HMA HEC 203 2HMA HEC 203 2.218 -3.776 6.509 851 3HMA HEC 203 3HMA HEC 203 3.543 -3.334 7.585 852 1HAA HEC 203 1HAA HEC 203 4.902 -6.009 7.733 853 2HAA HEC 203 2HAA HEC 203 4.673 -7.259 6.519 854 1HBA HEC 203 1HBA HEC 203 6.923 -7.638 6.285 855 2HBA HEC 203 2HBA HEC 203 7.345 -5.952 6.596 856 1HMB HEC 203 1HMB HEC 203 1.491 0.991 3.412 857 2HMB HEC 203 2HMB HEC 203 1.359 -0.532 4.291 858 3HMB HEC 203 3HMB HEC 203 2.529 0.684 4.804 859 HAB HEC 203 HAB HEC 203 2.765 0.935 0.085 860 1HBB HEC 203 1HBB HEC 203 4.217 2.671 0.052 861 2HBB HEC 203 2HBB HEC 203 4.747 2.310 1.695 862 3HBB HEC 203 3HBB HEC 203 3.349 3.353 1.428 863 1HMC HEC 203 1HMC HEC 203 5.542 0.249 -2.301 864 2HMC HEC 203 2HMC HEC 203 7.251 0.264 -2.738 865 3HMC HEC 203 3HMC HEC 203 6.131 -0.794 -3.596 866 HAC HEC 203 HAC HEC 203 9.134 -3.545 -2.596 867 1HBC HEC 203 1HBC HEC 203 8.538 -1.326 -4.419 868 2HBC HEC 203 2HBC HEC 203 10.078 -1.803 -3.710 869 3HBC HEC 203 3HBC HEC 203 8.967 -0.777 -2.802 870 1HMD HEC 203 1HMD HEC 203 10.057 -7.776 0.303 871 2HMD HEC 203 2HMD HEC 203 11.022 -6.468 0.989 872 3HMD HEC 203 3HMD HEC 203 10.153 -6.223 -0.527 873 1HAD HEC 203 1HAD HEC 203 10.141 -7.824 3.130 874 2HAD HEC 203 2HAD HEC 203 8.706 -7.888 4.148 875 1HBD HEC 203 1HBD HEC 203 7.603 -9.170 2.203 876 2HBD HEC 203 2HBD HEC 203 9.239 -9.366 1.574 877 HHA HEC 204 HHA HEC 204 -6.863 2.162 3.903 878 HHB HEC 204 HHB HEC 204 -10.163 -2.375 1.064 879 HHC HEC 204 HHC HEC 204 -4.806 -5.897 0.925 880 HHD HEC 204 HHD HEC 204 -1.518 -0.975 2.607 881 1HMA HEC 204 1HMA HEC 204 -11.721 -0.205 3.196 882 2HMA HEC 204 2HMA HEC 204 -11.493 -0.906 1.594 883 3HMA HEC 204 3HMA HEC 204 -11.521 0.845 1.793 884 1HAA HEC 204 1HAA HEC 204 -10.052 1.964 4.563 885 2HAA HEC 204 2HAA HEC 204 -8.600 2.768 3.979 886 1HBA HEC 204 1HBA HEC 204 -9.764 3.070 1.759 887 2HBA HEC 204 2HBA HEC 204 -11.229 2.461 2.523 888 1HMB HEC 204 1HMB HEC 204 -10.664 -4.039 -0.062 889 2HMB HEC 204 2HMB HEC 204 -10.192 -5.736 -0.146 890 3HMB HEC 204 3HMB HEC 204 -9.879 -4.664 -1.511 891 HAB HEC 204 HAB HEC 204 -6.481 -6.994 0.235 892 1HBB HEC 204 1HBB HEC 204 -6.906 -7.561 -2.236 893 2HBB HEC 204 2HBB HEC 204 -5.721 -6.301 -1.892 894 3HBB HEC 204 3HBB HEC 204 -7.345 -5.864 -2.425 895 1HMC HEC 204 1HMC HEC 204 -3.004 -6.513 0.743 896 2HMC HEC 204 2HMC HEC 204 -1.438 -5.829 0.310 897 3HMC HEC 204 3HMC HEC 204 -1.765 -6.298 1.979 898 HAC HEC 204 HAC HEC 204 -0.462 -2.483 2.860 899 1HBC HEC 204 1HBC HEC 204 0.411 -4.247 0.549 900 2HBC HEC 204 2HBC HEC 204 1.406 -3.120 1.471 901 3HBC HEC 204 3HBC HEC 204 0.152 -2.510 0.392 902 1HMD HEC 204 1HMD HEC 204 -1.190 0.980 4.349 903 2HMD HEC 204 2HMD HEC 204 -1.692 2.631 3.980 904 3HMD HEC 204 3HMD HEC 204 -1.077 1.587 2.697 905 1HAD HEC 204 1HAD HEC 204 -3.775 3.848 3.640 906 2HAD HEC 204 2HAD HEC 204 -5.416 3.443 4.128 907 1HBD HEC 204 1HBD HEC 204 -4.178 2.213 6.115 908 2HBD HEC 204 2HBD HEC 204 -2.892 3.354 5.725 Start of MODEL 20 1 1H ALA 1 1H ALA 1 20.561 14.691 2.676 2 2H ALA 1 2H ALA 1 21.695 13.897 1.691 3 3H ALA 1 3H ALA 1 21.522 13.450 3.320 4 HA ALA 1 HA ALA 1 19.603 12.990 1.100 5 1HB ALA 1 1HB ALA 1 20.024 10.653 2.379 6 2HB ALA 1 2HB ALA 1 21.531 11.471 2.790 7 3HB ALA 1 3HB ALA 1 21.092 11.230 1.099 8 HA PRO 2 HA PRO 2 16.307 13.014 3.998 9 1HB PRO 2 1HB PRO 2 14.868 10.795 3.301 10 2HB PRO 2 2HB PRO 2 14.911 12.265 2.315 11 1HG PRO 2 1HG PRO 2 16.372 9.703 1.954 12 2HG PRO 2 2HG PRO 2 15.668 10.782 0.740 13 1HD PRO 2 1HD PRO 2 18.339 10.680 1.320 14 2HD PRO 2 2HD PRO 2 17.522 12.115 0.663 15 H LYS 3 H LYS 3 15.875 12.246 6.081 16 HA LYS 3 HA LYS 3 17.445 9.864 6.957 17 1HB LYS 3 1HB LYS 3 15.987 11.870 8.665 18 2HB LYS 3 2HB LYS 3 17.354 10.851 9.103 19 1HG LYS 3 1HG LYS 3 18.712 12.096 7.359 20 2HG LYS 3 2HG LYS 3 17.364 13.225 7.226 21 1HD LYS 3 1HD LYS 3 17.592 13.927 9.491 22 2HD LYS 3 2HD LYS 3 18.661 12.578 9.878 23 1HE LYS 3 1HE LYS 3 20.346 13.523 8.261 24 2HE LYS 3 2HE LYS 3 19.299 14.946 8.085 25 1HZ LYS 3 1HZ LYS 3 20.292 13.895 10.681 26 2HZ LYS 3 2HZ LYS 3 19.383 15.311 10.443 27 3HZ LYS 3 3HZ LYS 3 20.976 15.212 9.860 28 H ALA 4 H ALA 4 15.910 8.337 6.134 29 HA ALA 4 HA ALA 4 13.187 8.106 6.372 30 1HB ALA 4 1HB ALA 4 15.234 6.445 5.776 31 2HB ALA 4 2HB ALA 4 13.588 5.864 6.026 32 3HB ALA 4 3HB ALA 4 14.766 5.771 7.337 33 HA PRO 5 HA PRO 5 12.433 8.428 10.702 34 1HB PRO 5 1HB PRO 5 9.768 7.790 10.635 35 2HB PRO 5 2HB PRO 5 10.414 9.371 10.169 36 1HG PRO 5 1HG PRO 5 9.402 7.181 8.469 37 2HG PRO 5 2HG PRO 5 9.459 8.918 8.168 38 1HD PRO 5 1HD PRO 5 11.213 7.004 7.111 39 2HD PRO 5 2HD PRO 5 11.434 8.764 7.086 40 H ALA 6 H ALA 6 11.776 7.032 12.498 41 HA ALA 6 HA ALA 6 12.801 4.412 12.392 42 1HB ALA 6 1HB ALA 6 12.164 4.368 14.633 43 2HB ALA 6 2HB ALA 6 10.640 5.198 14.318 44 3HB ALA 6 3HB ALA 6 12.153 6.104 14.321 45 H ASP 7 H ASP 7 11.758 2.389 12.367 46 HA ASP 7 HA ASP 7 9.579 2.028 10.559 47 1HB ASP 7 1HB ASP 7 10.476 0.116 12.724 48 2HB ASP 7 2HB ASP 7 9.865 -0.272 11.118 49 H GLY 8 H GLY 8 7.469 1.110 11.151 50 1HA GLY 8 1HA GLY 8 5.714 0.666 12.773 51 2HA GLY 8 2HA GLY 8 6.558 1.712 13.915 52 H LEU 9 H LEU 9 6.431 2.965 10.739 53 HA LEU 9 HA LEU 9 4.950 5.287 11.492 54 1HB LEU 9 1HB LEU 9 6.366 4.282 9.267 55 2HB LEU 9 2HB LEU 9 4.744 4.650 8.676 56 HG LEU 9 HG LEU 9 5.969 6.652 10.491 57 1HD1 LEU 9 1HD1 LEU 9 7.920 6.379 9.214 58 2HD1 LEU 9 2HD1 LEU 9 7.058 7.620 8.304 59 3HD1 LEU 9 3HD1 LEU 9 7.021 5.941 7.761 60 1HD2 LEU 9 1HD2 LEU 9 3.871 6.457 8.513 61 2HD2 LEU 9 2HD2 LEU 9 4.980 7.767 8.086 62 3HD2 LEU 9 3HD2 LEU 9 4.189 7.755 9.664 63 H LYS 10 H LYS 10 2.785 5.492 11.775 64 HA LYS 10 HA LYS 10 1.051 3.231 10.915 65 1HB LYS 10 1HB LYS 10 1.112 5.250 13.049 66 2HB LYS 10 2HB LYS 10 -0.492 4.964 12.374 67 1HG LYS 10 1HG LYS 10 0.105 2.442 12.606 68 2HG LYS 10 2HG LYS 10 1.353 3.004 13.721 69 1HD LYS 10 1HD LYS 10 -0.156 3.505 15.338 70 2HD LYS 10 2HD LYS 10 -1.279 4.230 14.186 71 1HE LYS 10 1HE LYS 10 -2.063 1.999 13.506 72 2HE LYS 10 2HE LYS 10 -0.905 1.243 14.618 73 1HZ LYS 10 1HZ LYS 10 -2.748 3.325 15.593 74 2HZ LYS 10 2HZ LYS 10 -1.978 2.084 16.462 75 3HZ LYS 10 3HZ LYS 10 -3.292 1.725 15.447 76 H MET 11 H MET 11 0.191 3.473 8.934 77 HA MET 11 HA MET 11 -0.384 6.127 7.781 78 1HB MET 11 1HB MET 11 -0.403 3.240 6.939 79 2HB MET 11 2HB MET 11 -1.303 4.408 5.971 80 1HG MET 11 1HG MET 11 0.616 5.572 5.351 81 2HG MET 11 2HG MET 11 1.521 5.029 6.763 82 1HE MET 11 1HE MET 11 1.138 4.555 2.985 83 2HE MET 11 2HE MET 11 -0.376 3.996 3.691 84 3HE MET 11 3HE MET 11 0.669 2.856 2.848 85 H ASP 12 H ASP 12 -2.090 6.872 9.195 86 HA ASP 12 HA ASP 12 -4.554 5.177 9.282 87 1HB ASP 12 1HB ASP 12 -5.108 6.922 11.094 88 2HB ASP 12 2HB ASP 12 -3.792 5.803 11.428 89 H LYS 13 H LYS 13 -3.536 7.139 7.088 90 HA LYS 13 HA LYS 13 -5.099 9.447 6.876 91 1HB LYS 13 1HB LYS 13 -4.150 7.350 4.925 92 2HB LYS 13 2HB LYS 13 -4.990 8.797 4.374 93 1HG LYS 13 1HG LYS 13 -2.508 8.805 6.116 94 2HG LYS 13 2HG LYS 13 -2.506 9.068 4.372 95 1HD LYS 13 1HD LYS 13 -4.080 10.995 4.722 96 2HD LYS 13 2HD LYS 13 -3.875 10.782 6.461 97 1HE LYS 13 1HE LYS 13 -1.619 11.450 6.407 98 2HE LYS 13 2HE LYS 13 -1.464 11.106 4.673 99 1HZ LYS 13 1HZ LYS 13 -2.525 13.007 4.097 100 2HZ LYS 13 2HZ LYS 13 -1.919 13.544 5.592 101 3HZ LYS 13 3HZ LYS 13 -3.526 13.008 5.466 102 H THR 14 H THR 14 -6.059 6.091 6.510 103 HA THR 14 HA THR 14 -8.864 6.964 5.880 104 HB THR 14 HB THR 14 -9.054 4.702 4.870 105 HG1 THR 14 1HG THR 14 -7.667 3.345 5.655 106 1HG2 THR 14 1HG2 THR 14 -8.110 5.385 2.915 107 2HG2 THR 14 2HG2 THR 14 -6.540 5.681 3.662 108 3HG2 THR 14 3HG2 THR 14 -7.825 6.878 3.810 109 H LYS 15 H LYS 15 -10.291 4.781 6.534 110 HA LYS 15 HA LYS 15 -10.345 4.791 9.436 111 1HB LYS 15 1HB LYS 15 -11.859 3.693 7.137 112 2HB LYS 15 2HB LYS 15 -11.987 2.760 8.629 113 1HG LYS 15 1HG LYS 15 -13.447 4.267 9.434 114 2HG LYS 15 2HG LYS 15 -12.202 5.513 9.327 115 1HD LYS 15 1HD LYS 15 -12.847 6.106 7.106 116 2HD LYS 15 2HD LYS 15 -13.855 4.667 6.940 117 1HE LYS 15 1HE LYS 15 -15.598 5.956 7.622 118 2HE LYS 15 2HE LYS 15 -14.842 5.974 9.228 119 1HZ LYS 15 1HZ LYS 15 -14.954 8.217 8.619 120 2HZ LYS 15 2HZ LYS 15 -14.493 7.906 7.014 121 3HZ LYS 15 3HZ LYS 15 -13.353 7.779 8.268 122 H GLN 16 H GLN 16 -8.891 2.790 6.986 123 HA GLN 16 HA GLN 16 -8.245 0.664 8.982 124 1HB GLN 16 1HB GLN 16 -8.634 0.886 6.053 125 2HB GLN 16 2HB GLN 16 -7.328 -0.191 6.550 126 1HG GLN 16 1HG GLN 16 -9.165 -1.037 8.283 127 2HG GLN 16 2HG GLN 16 -10.267 -0.415 7.055 128 1HE2 GLN 16 2HE2 GLN 16 -8.845 -1.028 4.691 129 2HE2 GLN 16 1HE2 GLN 16 -8.689 -2.713 4.553 130 HA PRO 17 HA PRO 17 -4.451 3.270 8.738 131 1HB PRO 17 1HB PRO 17 -3.728 2.844 11.349 132 2HB PRO 17 2HB PRO 17 -4.846 4.128 10.844 133 1HG PRO 17 1HG PRO 17 -5.449 1.434 11.977 134 2HG PRO 17 2HG PRO 17 -6.196 3.000 12.337 135 1HD PRO 17 1HD PRO 17 -7.367 1.190 10.714 136 2HD PRO 17 2HD PRO 17 -7.540 2.944 10.466 137 H VAL 18 H VAL 18 -2.474 2.421 8.179 138 HA VAL 18 HA VAL 18 -1.893 -0.414 8.954 139 HB VAL 18 HB VAL 18 -1.602 1.145 6.380 140 1HG1 VAL 18 1HG1 VAL 18 -0.396 -1.565 6.998 141 2HG1 VAL 18 2HG1 VAL 18 0.523 -0.062 6.925 142 3HG1 VAL 18 3HG1 VAL 18 -0.277 -0.676 5.478 143 1HG2 VAL 18 1HG2 VAL 18 -2.564 -1.390 5.849 144 2HG2 VAL 18 2HG2 VAL 18 -3.566 0.046 6.066 145 3HG2 VAL 18 3HG2 VAL 18 -3.273 -1.040 7.425 146 H VAL 19 H VAL 19 0.114 -0.699 9.898 147 HA VAL 19 HA VAL 19 1.824 1.653 10.327 148 HB VAL 19 HB VAL 19 1.712 -1.216 11.247 149 1HG1 VAL 19 1HG1 VAL 19 4.082 -0.790 10.941 150 2HG1 VAL 19 2HG1 VAL 19 3.720 -0.689 12.664 151 3HG1 VAL 19 3HG1 VAL 19 3.940 0.785 11.722 152 1HG2 VAL 19 1HG2 VAL 19 1.356 -0.197 13.413 153 2HG2 VAL 19 2HG2 VAL 19 0.277 0.598 12.265 154 3HG2 VAL 19 3HG2 VAL 19 1.761 1.399 12.781 155 H PHE 20 H PHE 20 3.507 2.149 8.938 156 HA PHE 20 HA PHE 20 4.470 0.014 7.083 157 1HB PHE 20 1HB PHE 20 3.648 2.097 6.079 158 2HB PHE 20 2HB PHE 20 4.755 3.041 7.071 159 HD1 PHE 20 HD1 PHE 20 4.824 0.110 4.737 160 HD2 PHE 20 HD2 PHE 20 6.817 3.650 6.125 161 HE1 PHE 20 HE1 PHE 20 6.611 -0.233 3.054 162 HE2 PHE 20 HE2 PHE 20 8.597 3.308 4.439 163 HZ PHE 20 HZ PHE 20 8.498 1.366 2.905 164 H ASN 21 H ASN 21 6.292 -1.015 7.822 165 HA ASN 21 HA ASN 21 8.136 0.370 9.667 166 1HB ASN 21 1HB ASN 21 7.221 -2.294 9.041 167 2HB ASN 21 2HB ASN 21 8.975 -2.230 8.963 168 1HD2 ASN 21 2HD2 ASN 21 8.864 -3.622 10.992 169 2HD2 ASN 21 1HD2 ASN 21 8.641 -2.850 12.487 170 H HIS 22 H HIS 22 9.357 1.812 8.339 171 HA HIS 22 HA HIS 22 10.274 1.440 5.723 172 1HB HIS 22 1HB HIS 22 11.289 2.818 8.186 173 2HB HIS 22 2HB HIS 22 12.327 2.776 6.763 174 HD1 HIS 22 HD1 HIS 22 9.530 4.589 8.224 175 HD2 HIS 22 HD2 HIS 22 10.904 3.892 4.346 176 HE1 HIS 22 HE1 HIS 22 8.528 6.402 6.772 177 H SER 23 H SER 23 11.538 0.072 8.734 178 HA SER 23 HA SER 23 14.035 -0.921 7.957 179 1HB SER 23 1HB SER 23 13.630 -1.489 10.125 180 2HB SER 23 2HB SER 23 11.890 -1.571 9.863 181 HG SER 23 HG SER 23 12.048 -3.644 9.471 182 H THR 24 H THR 24 10.818 -2.337 7.356 183 HA THR 24 HA THR 24 11.869 -4.650 5.924 184 HB THR 24 HB THR 24 9.095 -3.844 5.424 185 HG1 THR 24 1HG THR 24 8.506 -4.009 7.623 186 1HG2 THR 24 1HG2 THR 24 9.230 -6.100 5.234 187 2HG2 THR 24 2HG2 THR 24 9.075 -6.097 6.991 188 3HG2 THR 24 3HG2 THR 24 10.671 -6.189 6.246 189 H HIS 25 H HIS 25 11.759 -1.426 5.120 190 HA HIS 25 HA HIS 25 11.469 -2.041 2.210 191 1HB HIS 25 1HB HIS 25 10.691 0.398 3.833 192 2HB HIS 25 2HB HIS 25 10.486 0.227 2.092 193 HD1 HIS 25 HD1 HIS 25 9.163 -1.027 5.363 194 HD2 HIS 25 HD2 HIS 25 8.434 -1.602 1.301 195 HE1 HIS 25 HE1 HIS 25 7.015 -2.356 5.205 196 H LYS 26 H LYS 26 13.548 -0.928 4.673 197 HA LYS 26 HA LYS 26 15.059 1.134 3.501 198 1HB LYS 26 1HB LYS 26 15.982 -1.298 5.075 199 2HB LYS 26 2HB LYS 26 16.895 0.202 4.892 200 1HG LYS 26 1HG LYS 26 14.783 1.365 5.839 201 2HG LYS 26 2HG LYS 26 14.308 -0.250 6.368 202 1HD LYS 26 1HD LYS 26 16.435 -0.479 7.597 203 2HD LYS 26 2HD LYS 26 16.911 1.137 7.072 204 1HE LYS 26 1HE LYS 26 14.380 1.545 8.158 205 2HE LYS 26 2HE LYS 26 15.123 0.366 9.256 206 1HZ LYS 26 1HZ LYS 26 16.440 2.847 8.283 207 2HZ LYS 26 2HZ LYS 26 17.088 1.730 9.389 208 3HZ LYS 26 3HZ LYS 26 15.736 2.668 9.815 209 H ALA 27 H ALA 27 14.884 -2.271 2.683 210 HA ALA 27 HA ALA 27 17.238 -2.187 0.913 211 1HB ALA 27 1HB ALA 27 16.443 -4.543 0.455 212 2HB ALA 27 2HB ALA 27 15.077 -4.228 1.526 213 3HB ALA 27 3HB ALA 27 16.722 -4.204 2.163 214 H VAL 28 H VAL 28 14.012 -1.209 0.713 215 HA VAL 28 HA VAL 28 13.543 -1.913 -2.098 216 HB VAL 28 HB VAL 28 12.174 -0.243 0.013 217 1HG1 VAL 28 1HG1 VAL 28 10.311 0.049 -1.581 218 2HG1 VAL 28 2HG1 VAL 28 11.295 -0.681 -2.848 219 3HG1 VAL 28 3HG1 VAL 28 11.775 0.858 -2.134 220 1HG2 VAL 28 1HG2 VAL 28 11.289 -2.728 -1.474 221 2HG2 VAL 28 2HG2 VAL 28 10.491 -1.989 -0.086 222 3HG2 VAL 28 3HG2 VAL 28 12.070 -2.752 0.108 223 H LYS 29 H LYS 29 12.864 0.118 -3.513 224 HA LYS 29 HA LYS 29 15.227 1.898 -3.513 225 1HB LYS 29 1HB LYS 29 13.374 0.779 -5.412 226 2HB LYS 29 2HB LYS 29 13.421 2.537 -5.573 227 1HG LYS 29 1HG LYS 29 15.260 2.125 -6.847 228 2HG LYS 29 2HG LYS 29 16.063 2.009 -5.280 229 1HD LYS 29 1HD LYS 29 14.786 -0.504 -5.955 230 2HD LYS 29 2HD LYS 29 15.891 -0.007 -7.238 231 1HE LYS 29 1HE LYS 29 17.630 0.420 -5.416 232 2HE LYS 29 2HE LYS 29 16.534 -0.427 -4.306 233 1HZ LYS 29 1HZ LYS 29 17.911 -1.459 -6.694 234 2HZ LYS 29 2HZ LYS 29 16.431 -2.147 -6.223 235 3HZ LYS 29 3HZ LYS 29 17.757 -2.166 -5.161 236 H CYS 30 H CYS 30 14.959 3.508 -2.065 237 HA CYS 30 HA CYS 30 12.655 4.719 -1.063 238 1HB CYS 30 1HB CYS 30 15.403 5.773 -1.756 239 2HB CYS 30 2HB CYS 30 14.204 6.802 -0.973 240 H GLY 31 H GLY 31 14.044 4.990 -4.251 241 1HA GLY 31 1HA GLY 31 12.402 7.322 -4.980 242 2HA GLY 31 2HA GLY 31 13.502 6.455 -6.054 243 H ASP 32 H ASP 32 12.043 3.921 -4.861 244 HA ASP 32 HA ASP 32 10.140 3.707 -7.077 245 1HB ASP 32 1HB ASP 32 11.699 2.022 -5.464 246 2HB ASP 32 2HB ASP 32 10.040 1.634 -5.028 247 H CYS 33 H CYS 33 10.037 4.104 -3.556 248 HA CYS 33 HA CYS 33 7.071 4.089 -3.529 249 1HB CYS 33 1HB CYS 33 9.343 4.109 -1.570 250 2HB CYS 33 2HB CYS 33 7.804 4.765 -1.029 251 H HIS 34 H HIS 34 9.715 6.323 -2.577 252 HA HIS 34 HA HIS 34 7.886 8.649 -2.703 253 1HB HIS 34 1HB HIS 34 10.790 8.179 -1.971 254 2HB HIS 34 2HB HIS 34 10.079 9.789 -2.013 255 HD1 HIS 34 HD1 HIS 34 7.667 9.863 -0.528 256 HD2 HIS 34 HD2 HIS 34 10.562 7.053 0.517 257 HE1 HIS 34 HE1 HIS 34 7.169 9.172 1.858 258 H HIS 35 H HIS 35 8.492 7.159 -5.178 259 HA HIS 35 HA HIS 35 10.399 7.881 -6.927 260 1HB HIS 35 1HB HIS 35 8.550 8.069 -8.634 261 2HB HIS 35 2HB HIS 35 8.412 6.675 -7.577 262 HD1 HIS 35 HD1 HIS 35 6.991 10.069 -8.142 263 HD2 HIS 35 HD2 HIS 35 6.137 6.680 -5.895 264 HE1 HIS 35 HE1 HIS 35 4.689 10.437 -7.165 265 HA PRO 36 HA PRO 36 10.837 12.200 -7.378 266 1HB PRO 36 1HB PRO 36 11.176 12.463 -10.088 267 2HB PRO 36 2HB PRO 36 12.423 11.803 -9.010 268 1HG PRO 36 1HG PRO 36 10.475 10.363 -10.751 269 2HG PRO 36 2HG PRO 36 12.193 10.032 -10.469 270 1HD PRO 36 1HD PRO 36 10.236 8.618 -9.262 271 2HD PRO 36 2HD PRO 36 11.794 8.950 -8.470 272 H VAL 37 H VAL 37 9.171 13.633 -7.170 273 HA VAL 37 HA VAL 37 6.768 13.321 -8.911 274 HB VAL 37 HB VAL 37 7.379 14.102 -6.136 275 1HG1 VAL 37 1HG1 VAL 37 6.720 16.317 -7.008 276 2HG1 VAL 37 2HG1 VAL 37 5.484 15.670 -5.929 277 3HG1 VAL 37 3HG1 VAL 37 5.246 15.616 -7.676 278 1HG2 VAL 37 1HG2 VAL 37 5.265 12.727 -7.712 279 2HG2 VAL 37 2HG2 VAL 37 4.748 13.489 -6.207 280 3HG2 VAL 37 3HG2 VAL 37 6.014 12.262 -6.185 281 H ASN 38 H ASN 38 9.477 14.752 -9.384 282 HA ASN 38 HA ASN 38 8.534 16.873 -11.055 283 1HB ASN 38 1HB ASN 38 8.055 17.633 -8.610 284 2HB ASN 38 2HB ASN 38 9.784 17.856 -8.488 285 1HD2 ASN 38 2HD2 ASN 38 9.430 18.477 -11.637 286 2HD2 ASN 38 1HD2 ASN 38 9.076 20.136 -11.602 287 H GLY 39 H GLY 39 11.182 17.265 -8.798 288 1HA GLY 39 1HA GLY 39 13.126 16.439 -10.901 289 2HA GLY 39 2HA GLY 39 13.364 17.926 -9.974 290 H LYS 40 H LYS 40 11.832 15.835 -7.938 291 HA LYS 40 HA LYS 40 14.168 14.244 -7.104 292 1HB LYS 40 1HB LYS 40 14.395 15.428 -4.954 293 2HB LYS 40 2HB LYS 40 14.649 16.542 -6.298 294 1HG LYS 40 1HG LYS 40 12.209 17.176 -6.117 295 2HG LYS 40 2HG LYS 40 12.140 16.227 -4.632 296 1HD LYS 40 1HD LYS 40 13.859 17.620 -3.609 297 2HD LYS 40 2HD LYS 40 14.065 18.519 -5.113 298 1HE LYS 40 1HE LYS 40 11.724 19.315 -4.964 299 2HE LYS 40 2HE LYS 40 11.529 18.428 -3.438 300 1HZ LYS 40 1HZ LYS 40 12.201 20.546 -2.770 301 2HZ LYS 40 2HZ LYS 40 13.331 20.698 -4.030 302 3HZ LYS 40 3HZ LYS 40 13.638 19.645 -2.732 303 H GLU 41 H GLU 41 13.502 12.512 -5.836 304 HA GLU 41 HA GLU 41 10.768 11.749 -5.706 305 1HB GLU 41 1HB GLU 41 13.355 10.949 -4.453 306 2HB GLU 41 2HB GLU 41 11.872 10.247 -3.809 307 1HG GLU 41 1HG GLU 41 11.506 8.993 -5.680 308 2HG GLU 41 2HG GLU 41 12.068 10.270 -6.760 309 H ASP 42 H ASP 42 9.204 12.766 -4.505 310 HA ASP 42 HA ASP 42 9.729 14.508 -2.294 311 1HB ASP 42 1HB ASP 42 7.308 12.985 -3.273 312 2HB ASP 42 2HB ASP 42 7.231 14.125 -1.929 313 H TYR 43 H TYR 43 10.793 13.655 -0.527 314 HA TYR 43 HA TYR 43 10.217 10.922 0.406 315 1HB TYR 43 1HB TYR 43 12.025 13.148 1.402 316 2HB TYR 43 2HB TYR 43 12.034 11.496 2.021 317 HD1 TYR 43 HD1 TYR 43 12.596 9.589 0.454 318 HD2 TYR 43 HD2 TYR 43 13.128 13.712 -0.633 319 HE1 TYR 43 HE1 TYR 43 14.104 8.908 -1.392 320 HE2 TYR 43 HE2 TYR 43 14.638 13.029 -2.479 321 HH TYR 43 HH TYR 43 15.277 9.588 -3.151 322 H GLN 44 H GLN 44 7.834 11.869 0.769 323 HA GLN 44 HA GLN 44 7.672 12.632 3.656 324 1HB GLN 44 1HB GLN 44 5.854 14.240 2.977 325 2HB GLN 44 2HB GLN 44 7.446 14.675 2.354 326 1HG GLN 44 1HG GLN 44 6.707 13.225 0.281 327 2HG GLN 44 2HG GLN 44 5.082 13.550 0.885 328 1HE2 GLN 44 2HE2 GLN 44 4.467 15.892 1.123 329 2HE2 GLN 44 1HE2 GLN 44 5.224 17.052 0.139 330 H LYS 45 H LYS 45 5.375 12.271 4.479 331 HA LYS 45 HA LYS 45 4.480 9.676 4.251 332 1HB LYS 45 1HB LYS 45 3.225 12.309 4.874 333 2HB LYS 45 2HB LYS 45 2.157 10.916 4.710 334 1HG LYS 45 1HG LYS 45 2.924 9.936 6.617 335 2HG LYS 45 2HG LYS 45 4.588 10.440 6.321 336 1HD LYS 45 1HD LYS 45 3.990 11.723 8.195 337 2HD LYS 45 2HD LYS 45 3.707 12.836 6.855 338 1HE LYS 45 1HE LYS 45 1.322 11.309 7.177 339 2HE LYS 45 2HE LYS 45 1.806 11.885 8.785 340 1HZ LYS 45 1HZ LYS 45 2.012 14.093 7.974 341 2HZ LYS 45 2HZ LYS 45 0.495 13.526 7.457 342 3HZ LYS 45 3HZ LYS 45 1.795 13.603 6.365 343 H CYS 46 H CYS 46 3.619 8.481 2.641 344 HA CYS 46 HA CYS 46 3.320 9.125 -0.011 345 1HB CYS 46 1HB CYS 46 1.588 7.316 1.691 346 2HB CYS 46 2HB CYS 46 1.737 7.207 -0.059 347 H ALA 47 H ALA 47 0.791 9.505 2.468 348 HA ALA 47 HA ALA 47 -0.920 10.905 0.461 349 1HB ALA 47 1HB ALA 47 -2.028 9.122 1.550 350 2HB ALA 47 2HB ALA 47 -2.590 10.563 2.398 351 3HB ALA 47 3HB ALA 47 -1.340 9.548 3.115 352 H THR 48 H THR 48 1.033 12.593 1.062 353 HA THR 48 HA THR 48 1.008 14.105 3.427 354 HB THR 48 HB THR 48 1.265 15.474 0.781 355 HG1 THR 48 1HG THR 48 3.290 14.374 0.535 356 1HG2 THR 48 1HG2 THR 48 2.775 16.756 1.900 357 2HG2 THR 48 2HG2 THR 48 3.475 15.370 2.737 358 3HG2 THR 48 3HG2 THR 48 1.987 16.103 3.337 359 H ALA 49 H ALA 49 0.319 16.737 2.735 360 HA ALA 49 HA ALA 49 -2.569 16.702 3.161 361 1HB ALA 49 1HB ALA 49 -0.827 18.288 4.133 362 2HB ALA 49 2HB ALA 49 -2.250 19.074 3.449 363 3HB ALA 49 3HB ALA 49 -0.739 19.039 2.540 364 H GLY 50 H GLY 50 -0.624 16.585 0.391 365 1HA GLY 50 1HA GLY 50 -2.963 17.207 -1.322 366 2HA GLY 50 2HA GLY 50 -1.477 18.116 -1.627 367 H CYS 51 H CYS 51 -1.048 14.986 -0.383 368 HA CYS 51 HA CYS 51 0.027 14.039 -2.978 369 1HB CYS 51 1HB CYS 51 0.601 13.966 -0.131 370 2HB CYS 51 2HB CYS 51 0.695 12.374 -0.812 371 H HIS 52 H HIS 52 -0.317 11.261 -1.394 372 HA HIS 52 HA HIS 52 -2.770 10.502 -2.793 373 1HB HIS 52 1HB HIS 52 -0.862 9.104 -0.904 374 2HB HIS 52 2HB HIS 52 -2.216 8.297 -1.665 375 HD1 HIS 52 HD1 HIS 52 -2.210 8.670 -4.391 376 HD2 HIS 52 HD2 HIS 52 1.435 8.909 -2.422 377 HE1 HIS 52 HE1 HIS 52 -0.426 8.318 -6.162 378 H ASP 53 H ASP 53 -3.609 12.465 -1.128 379 HA ASP 53 HA ASP 53 -4.553 11.199 1.397 380 1HB ASP 53 1HB ASP 53 -3.420 13.346 1.546 381 2HB ASP 53 2HB ASP 53 -4.514 14.041 0.352 382 H ASN 54 H ASN 54 -5.747 10.814 -1.482 383 HA ASN 54 HA ASN 54 -8.393 12.062 -1.256 384 1HB ASN 54 1HB ASN 54 -6.782 10.836 -3.226 385 2HB ASN 54 2HB ASN 54 -8.212 9.823 -3.084 386 1HD2 ASN 54 2HD2 ASN 54 -9.803 10.480 -4.513 387 2HD2 ASN 54 1HD2 ASN 54 -10.124 12.087 -4.954 388 H MET 55 H MET 55 -9.508 11.294 0.545 389 HA MET 55 HA MET 55 -9.419 8.481 1.340 390 1HB MET 55 1HB MET 55 -10.419 11.065 2.289 391 2HB MET 55 2HB MET 55 -11.532 9.744 2.641 392 1HG MET 55 1HG MET 55 -8.945 8.756 3.204 393 2HG MET 55 2HG MET 55 -9.018 10.371 3.912 394 1HE MET 55 1HE MET 55 -9.670 6.907 3.974 395 2HE MET 55 2HE MET 55 -11.393 7.022 3.631 396 3HE MET 55 3HE MET 55 -10.854 6.533 5.234 397 H ASP 56 H ASP 56 -10.589 9.388 -1.391 398 HA ASP 56 HA ASP 56 -13.430 8.709 -1.219 399 1HB ASP 56 1HB ASP 56 -11.868 10.132 -2.923 400 2HB ASP 56 2HB ASP 56 -11.929 8.595 -3.786 401 H LYS 57 H LYS 57 -10.440 6.995 -1.533 402 HA LYS 57 HA LYS 57 -9.992 4.684 -1.764 403 1HB LYS 57 1HB LYS 57 -12.965 4.523 -1.206 404 2HB LYS 57 2HB LYS 57 -11.779 3.250 -0.928 405 1HG LYS 57 1HG LYS 57 -10.746 4.449 0.833 406 2HG LYS 57 2HG LYS 57 -11.522 5.963 0.369 407 1HD LYS 57 1HD LYS 57 -12.863 3.522 1.565 408 2HD LYS 57 2HD LYS 57 -12.674 5.106 2.319 409 1HE LYS 57 1HE LYS 57 -13.924 5.737 -0.069 410 2HE LYS 57 2HE LYS 57 -14.694 4.205 0.386 411 1HZ LYS 57 1HZ LYS 57 -15.760 6.122 1.462 412 2HZ LYS 57 2HZ LYS 57 -14.288 6.515 2.212 413 3HZ LYS 57 3HZ LYS 57 -15.076 5.059 2.594 414 H LYS 58 H LYS 58 -11.439 6.443 -4.006 415 HA LYS 58 HA LYS 58 -11.858 4.113 -5.841 416 1HB LYS 58 1HB LYS 58 -13.512 6.653 -5.696 417 2HB LYS 58 2HB LYS 58 -13.822 5.258 -6.730 418 1HG LYS 58 1HG LYS 58 -13.618 4.167 -4.170 419 2HG LYS 58 2HG LYS 58 -14.516 5.665 -3.927 420 1HD LYS 58 1HD LYS 58 -16.253 5.011 -5.359 421 2HD LYS 58 2HD LYS 58 -15.250 3.821 -6.188 422 1HE LYS 58 1HE LYS 58 -15.199 2.451 -4.093 423 2HE LYS 58 2HE LYS 58 -16.318 3.612 -3.349 424 1HZ LYS 58 1HZ LYS 58 -17.271 1.577 -4.615 425 2HZ LYS 58 2HZ LYS 58 -16.920 2.491 -6.004 426 3HZ LYS 58 3HZ LYS 58 -17.987 3.100 -4.830 427 H ASP 59 H ASP 59 -10.248 7.033 -5.228 428 HA ASP 59 HA ASP 59 -10.060 8.171 -7.856 429 1HB ASP 59 1HB ASP 59 -9.416 9.497 -6.008 430 2HB ASP 59 2HB ASP 59 -8.412 8.217 -5.328 431 H LYS 60 H LYS 60 -9.493 6.717 -9.494 432 HA LYS 60 HA LYS 60 -7.297 4.788 -9.101 433 1HB LYS 60 1HB LYS 60 -9.576 5.209 -10.822 434 2HB LYS 60 2HB LYS 60 -8.136 4.946 -11.805 435 1HG LYS 60 1HG LYS 60 -8.669 3.162 -9.446 436 2HG LYS 60 2HG LYS 60 -9.514 2.874 -10.968 437 1HD LYS 60 1HD LYS 60 -6.541 3.283 -10.999 438 2HD LYS 60 2HD LYS 60 -7.191 1.714 -10.524 439 1HE LYS 60 1HE LYS 60 -7.579 1.192 -12.692 440 2HE LYS 60 2HE LYS 60 -8.571 2.651 -12.886 441 1HZ LYS 60 1HZ LYS 60 -6.552 3.956 -13.123 442 2HZ LYS 60 2HZ LYS 60 -6.605 2.737 -14.305 443 3HZ LYS 60 3HZ LYS 60 -5.599 2.564 -12.948 444 H SER 61 H SER 61 -6.839 7.816 -9.123 445 HA SER 61 HA SER 61 -5.102 8.071 -11.536 446 1HB SER 61 1HB SER 61 -6.848 9.765 -10.047 447 2HB SER 61 2HB SER 61 -5.218 10.412 -9.879 448 HG SER 61 HG SER 61 -5.186 10.869 -11.946 449 H ALA 62 H ALA 62 -3.381 10.047 -10.335 450 HA ALA 62 HA ALA 62 -1.635 8.241 -8.729 451 1HB ALA 62 1HB ALA 62 -0.049 9.158 -10.045 452 2HB ALA 62 2HB ALA 62 -0.473 10.771 -9.474 453 3HB ALA 62 3HB ALA 62 -1.309 10.080 -10.865 454 H LYS 63 H LYS 63 -4.025 9.901 -7.695 455 HA LYS 63 HA LYS 63 -2.500 11.354 -5.555 456 1HB LYS 63 1HB LYS 63 -3.945 12.521 -7.551 457 2HB LYS 63 2HB LYS 63 -5.196 12.318 -6.322 458 1HG LYS 63 1HG LYS 63 -4.266 14.422 -5.806 459 2HG LYS 63 2HG LYS 63 -3.449 13.330 -4.688 460 1HD LYS 63 1HD LYS 63 -1.432 13.499 -5.774 461 2HD LYS 63 2HD LYS 63 -2.183 13.709 -7.356 462 1HE LYS 63 1HE LYS 63 -2.680 16.018 -6.919 463 2HE LYS 63 2HE LYS 63 -2.271 15.844 -5.201 464 1HZ LYS 63 1HZ LYS 63 -0.040 14.961 -6.160 465 2HZ LYS 63 2HZ LYS 63 -0.302 16.636 -6.049 466 3HZ LYS 63 3HZ LYS 63 -0.485 15.841 -7.540 467 H GLY 64 H GLY 64 -4.754 8.933 -6.301 468 1HA GLY 64 1HA GLY 64 -6.269 9.240 -3.784 469 2HA GLY 64 2HA GLY 64 -6.586 8.044 -5.031 470 H TYR 65 H TYR 65 -5.744 8.184 -1.963 471 HA TYR 65 HA TYR 65 -3.362 6.725 -1.572 472 1HB TYR 65 1HB TYR 65 -5.325 7.804 -0.057 473 2HB TYR 65 2HB TYR 65 -5.775 6.107 0.074 474 HD1 TYR 65 HD1 TYR 65 -2.253 7.023 -0.443 475 HD2 TYR 65 HD2 TYR 65 -5.258 6.102 2.483 476 HE1 TYR 65 HE1 TYR 65 -0.491 6.697 1.263 477 HE2 TYR 65 HE2 TYR 65 -3.491 5.771 4.190 478 HH TYR 65 HH TYR 65 -1.147 6.519 4.573 479 H TYR 66 H TYR 66 -6.668 5.360 -1.580 480 HA TYR 66 HA TYR 66 -6.235 2.663 -1.564 481 1HB TYR 66 1HB TYR 66 -8.295 4.327 -2.082 482 2HB TYR 66 2HB TYR 66 -8.040 3.674 -3.699 483 HD1 TYR 66 HD1 TYR 66 -8.094 1.184 -4.059 484 HD2 TYR 66 HD2 TYR 66 -9.242 3.010 -0.348 485 HE1 TYR 66 HE1 TYR 66 -9.263 -0.901 -3.398 486 HE2 TYR 66 HE2 TYR 66 -10.413 0.925 0.314 487 HH TYR 66 HH TYR 66 -10.803 -1.756 -1.930 488 H HIS 67 H HIS 67 -6.612 4.294 -4.719 489 HA HIS 67 HA HIS 67 -5.791 2.355 -6.452 490 1HB HIS 67 1HB HIS 67 -6.443 4.527 -7.219 491 2HB HIS 67 2HB HIS 67 -5.099 5.297 -6.374 492 HD1 HIS 67 HD1 HIS 67 -5.576 2.632 -9.056 493 HD2 HIS 67 HD2 HIS 67 -2.900 5.648 -8.013 494 HE1 HIS 67 HE1 HIS 67 -3.754 2.603 -10.808 495 H ALA 68 H ALA 68 -3.306 4.774 -5.760 496 HA ALA 68 HA ALA 68 -1.062 3.302 -6.444 497 1HB ALA 68 1HB ALA 68 -0.567 5.484 -5.939 498 2HB ALA 68 2HB ALA 68 -0.127 4.793 -4.375 499 3HB ALA 68 3HB ALA 68 -1.710 5.540 -4.597 500 H MET 69 H MET 69 -3.010 2.904 -3.537 501 HA MET 69 HA MET 69 -0.928 1.336 -2.167 502 1HB MET 69 1HB MET 69 -3.799 2.055 -1.554 503 2HB MET 69 2HB MET 69 -2.727 1.214 -0.437 504 1HG MET 69 1HG MET 69 -1.496 3.607 -1.569 505 2HG MET 69 2HG MET 69 -2.973 3.968 -0.677 506 1HE MET 69 1HE MET 69 0.221 4.113 -0.774 507 2HE MET 69 2HE MET 69 1.062 3.509 0.652 508 3HE MET 69 3HE MET 69 0.107 4.985 0.761 509 H HIS 70 H HIS 70 -3.964 0.676 -3.917 510 HA HIS 70 HA HIS 70 -3.523 -2.228 -3.347 511 1HB HIS 70 1HB HIS 70 -5.988 -0.736 -4.296 512 2HB HIS 70 2HB HIS 70 -5.924 -2.425 -3.789 513 HD1 HIS 70 HD1 HIS 70 -6.076 1.043 -2.468 514 HD2 HIS 70 HD2 HIS 70 -5.443 -2.786 -0.951 515 HE1 HIS 70 HE1 HIS 70 -6.289 1.228 0.049 516 H ASP 71 H ASP 71 -3.267 0.110 -5.834 517 HA ASP 71 HA ASP 71 -3.888 -1.730 -8.044 518 1HB ASP 71 1HB ASP 71 -2.866 1.091 -7.731 519 2HB ASP 71 2HB ASP 71 -2.945 0.320 -9.314 520 H LYS 72 H LYS 72 -2.236 -2.270 -9.686 521 HA LYS 72 HA LYS 72 0.478 -2.629 -8.465 522 1HB LYS 72 1HB LYS 72 -0.908 -4.227 -10.638 523 2HB LYS 72 2HB LYS 72 0.574 -4.666 -9.788 524 1HG LYS 72 1HG LYS 72 -0.608 -5.609 -8.124 525 2HG LYS 72 2HG LYS 72 -1.505 -4.111 -7.871 526 1HD LYS 72 1HD LYS 72 -2.478 -5.262 -10.280 527 2HD LYS 72 2HD LYS 72 -2.417 -6.552 -9.079 528 1HE LYS 72 1HE LYS 72 -3.603 -3.852 -8.405 529 2HE LYS 72 2HE LYS 72 -4.579 -5.141 -9.137 530 1HZ LYS 72 1HZ LYS 72 -4.152 -4.965 -6.517 531 2HZ LYS 72 2HZ LYS 72 -2.828 -5.934 -6.956 532 3HZ LYS 72 3HZ LYS 72 -4.410 -6.438 -7.315 533 H GLY 73 H GLY 73 -1.036 -2.442 -11.700 534 1HA GLY 73 1HA GLY 73 1.374 -1.544 -12.998 535 2HA GLY 73 2HA GLY 73 -0.249 -1.458 -13.688 536 H THR 74 H THR 74 1.485 0.085 -10.964 537 HA THR 74 HA THR 74 0.147 2.662 -11.661 538 HB THR 74 HB THR 74 1.228 3.151 -9.307 539 HG1 THR 74 1HG THR 74 2.490 1.228 -9.375 540 1HG2 THR 74 1HG2 THR 74 -0.709 1.880 -8.228 541 2HG2 THR 74 2HG2 THR 74 -1.085 1.284 -9.845 542 3HG2 THR 74 3HG2 THR 74 -1.143 3.014 -9.507 543 H LYS 75 H LYS 75 1.513 4.634 -11.568 544 HA LYS 75 HA LYS 75 3.708 4.797 -13.203 545 1HB LYS 75 1HB LYS 75 2.364 6.491 -11.596 546 2HB LYS 75 2HB LYS 75 3.830 6.321 -10.633 547 1HG LYS 75 1HG LYS 75 4.395 8.103 -12.023 548 2HG LYS 75 2HG LYS 75 5.044 6.736 -12.922 549 1HD LYS 75 1HD LYS 75 3.841 7.915 -14.563 550 2HD LYS 75 2HD LYS 75 2.705 6.662 -14.061 551 1HE LYS 75 1HE LYS 75 1.315 8.163 -12.988 552 2HE LYS 75 2HE LYS 75 2.655 9.240 -12.545 553 1HZ LYS 75 1HZ LYS 75 1.759 8.803 -15.340 554 2HZ LYS 75 2HZ LYS 75 2.864 9.966 -14.781 555 3HZ LYS 75 3HZ LYS 75 1.218 10.094 -14.383 556 H PHE 76 H PHE 76 3.684 3.727 -9.837 557 HA PHE 76 HA PHE 76 6.485 2.717 -10.169 558 1HB PHE 76 1HB PHE 76 5.346 4.179 -7.769 559 2HB PHE 76 2HB PHE 76 6.991 3.585 -7.941 560 HD1 PHE 76 HD1 PHE 76 4.672 6.248 -8.649 561 HD2 PHE 76 HD2 PHE 76 8.440 4.551 -9.817 562 HE1 PHE 76 HE1 PHE 76 5.265 8.360 -9.796 563 HE2 PHE 76 HE2 PHE 76 9.035 6.668 -10.964 564 HZ PHE 76 HZ PHE 76 7.439 8.565 -10.951 565 H LYS 77 H LYS 77 6.968 1.145 -8.231 566 HA LYS 77 HA LYS 77 4.858 -0.826 -8.133 567 1HB LYS 77 1HB LYS 77 6.390 -1.927 -6.541 568 2HB LYS 77 2HB LYS 77 7.241 -1.388 -7.986 569 1HG LYS 77 1HG LYS 77 7.800 0.741 -6.683 570 2HG LYS 77 2HG LYS 77 7.231 -0.112 -5.248 571 1HD LYS 77 1HD LYS 77 9.716 -0.305 -5.618 572 2HD LYS 77 2HD LYS 77 8.883 -1.857 -5.555 573 1HE LYS 77 1HE LYS 77 9.127 -0.593 -8.246 574 2HE LYS 77 2HE LYS 77 10.602 -1.279 -7.536 575 1HZ LYS 77 1HZ LYS 77 8.272 -2.902 -7.112 576 2HZ LYS 77 2HZ LYS 77 9.806 -3.344 -7.691 577 3HZ LYS 77 3HZ LYS 77 8.643 -2.714 -8.755 578 H SER 78 H SER 78 3.084 -0.480 -7.032 579 HA SER 78 HA SER 78 2.818 1.443 -4.871 580 1HB SER 78 1HB SER 78 0.505 -0.042 -4.986 581 2HB SER 78 2HB SER 78 0.859 1.345 -6.011 582 HG SER 78 HG SER 78 0.362 -0.992 -6.866 583 H CYS 79 H CYS 79 1.409 0.585 -2.906 584 HA CYS 79 HA CYS 79 3.038 -1.065 -1.258 585 1HB CYS 79 1HB CYS 79 0.109 -0.287 -1.157 586 2HB CYS 79 2HB CYS 79 0.985 -0.997 0.196 587 H VAL 80 H VAL 80 -0.277 -1.866 -2.315 588 HA VAL 80 HA VAL 80 0.081 -4.711 -1.923 589 HB VAL 80 HB VAL 80 -1.930 -2.948 -3.324 590 1HG1 VAL 80 1HG1 VAL 80 -2.596 -4.777 -4.473 591 2HG1 VAL 80 2HG1 VAL 80 -3.148 -5.411 -2.923 592 3HG1 VAL 80 3HG1 VAL 80 -1.548 -5.838 -3.531 593 1HG2 VAL 80 1HG2 VAL 80 -1.543 -3.321 -0.683 594 2HG2 VAL 80 2HG2 VAL 80 -2.571 -4.716 -1.007 595 3HG2 VAL 80 3HG2 VAL 80 -3.151 -3.091 -1.369 596 H GLY 81 H GLY 81 0.636 -2.496 -4.577 597 1HA GLY 81 1HA GLY 81 0.708 -4.470 -6.689 598 2HA GLY 81 2HA GLY 81 1.397 -2.846 -6.776 599 H CYS 82 H CYS 82 3.160 -3.008 -4.568 600 HA CYS 82 HA CYS 82 5.369 -4.521 -5.763 601 1HB CYS 82 1HB CYS 82 5.296 -2.232 -4.452 602 2HB CYS 82 2HB CYS 82 5.352 -3.259 -3.023 603 H HIS 83 H HIS 83 2.953 -4.950 -3.345 604 HA HIS 83 HA HIS 83 4.267 -7.030 -1.810 605 1HB HIS 83 1HB HIS 83 1.586 -5.733 -2.079 606 2HB HIS 83 2HB HIS 83 1.662 -7.263 -1.228 607 HD1 HIS 83 HD1 HIS 83 1.166 -5.950 1.034 608 HD2 HIS 83 HD2 HIS 83 4.750 -4.933 -0.838 609 HE1 HIS 83 HE1 HIS 83 2.540 -4.702 2.753 610 H LEU 84 H LEU 84 1.514 -7.133 -4.146 611 HA LEU 84 HA LEU 84 1.302 -9.923 -4.413 612 1HB LEU 84 1HB LEU 84 0.350 -7.543 -5.579 613 2HB LEU 84 2HB LEU 84 1.018 -8.475 -6.914 614 HG LEU 84 HG LEU 84 -0.723 -9.835 -4.893 615 1HD1 LEU 84 1HD1 LEU 84 -1.853 -8.492 -7.349 616 2HD1 LEU 84 2HD1 LEU 84 -1.810 -7.671 -5.788 617 3HD1 LEU 84 3HD1 LEU 84 -2.724 -9.168 -5.974 618 1HD2 LEU 84 1HD2 LEU 84 -1.357 -11.051 -7.089 619 2HD2 LEU 84 2HD2 LEU 84 0.265 -11.324 -6.453 620 3HD2 LEU 84 3HD2 LEU 84 0.021 -10.208 -7.797 621 H GLU 85 H GLU 85 3.626 -7.658 -5.815 622 HA GLU 85 HA GLU 85 4.810 -9.615 -7.641 623 1HB GLU 85 1HB GLU 85 4.908 -6.789 -7.042 624 2HB GLU 85 2HB GLU 85 6.547 -7.432 -7.137 625 1HG GLU 85 1HG GLU 85 5.921 -8.515 -9.321 626 2HG GLU 85 2HG GLU 85 4.381 -7.660 -9.243 627 H THR 86 H THR 86 5.745 -8.098 -4.536 628 HA THR 86 HA THR 86 8.228 -9.524 -4.241 629 HB THR 86 HB THR 86 6.324 -7.977 -2.500 630 HG1 THR 86 1HG THR 86 8.960 -7.758 -3.452 631 1HG2 THR 86 1HG2 THR 86 7.173 -9.925 -1.147 632 2HG2 THR 86 2HG2 THR 86 7.685 -8.351 -0.534 633 3HG2 THR 86 3HG2 THR 86 8.812 -9.352 -1.452 634 H ALA 87 H ALA 87 5.039 -10.621 -4.190 635 HA ALA 87 HA ALA 87 5.792 -13.007 -2.532 636 1HB ALA 87 1HB ALA 87 4.060 -11.360 -1.635 637 2HB ALA 87 2HB ALA 87 3.520 -13.033 -1.761 638 3HB ALA 87 3HB ALA 87 3.025 -11.855 -2.976 639 H GLY 88 H GLY 88 5.463 -12.079 -5.630 640 1HA GLY 88 1HA GLY 88 3.566 -13.786 -6.832 641 2HA GLY 88 2HA GLY 88 5.054 -13.259 -7.616 642 H ALA 89 H ALA 89 6.431 -14.613 -5.134 643 HA ALA 89 HA ALA 89 6.291 -17.394 -6.256 644 1HB ALA 89 1HB ALA 89 8.338 -15.764 -6.599 645 2HB ALA 89 2HB ALA 89 8.626 -17.457 -6.198 646 3HB ALA 89 3HB ALA 89 8.725 -16.224 -4.941 647 H ASP 90 H ASP 90 5.448 -15.634 -3.586 648 HA ASP 90 HA ASP 90 5.954 -17.958 -1.775 649 1HB ASP 90 1HB ASP 90 7.473 -16.077 -1.356 650 2HB ASP 90 2HB ASP 90 6.104 -14.990 -1.193 651 H ALA 91 H ALA 91 3.759 -18.571 -2.406 652 HA ALA 91 HA ALA 91 1.372 -17.227 -2.359 653 1HB ALA 91 1HB ALA 91 2.060 -19.857 -1.007 654 2HB ALA 91 2HB ALA 91 1.613 -19.638 -2.699 655 3HB ALA 91 3HB ALA 91 0.424 -19.351 -1.428 656 H ALA 92 H ALA 92 3.451 -17.779 0.408 657 HA ALA 92 HA ALA 92 1.474 -17.091 2.435 658 1HB ALA 92 1HB ALA 92 3.144 -18.000 3.667 659 2HB ALA 92 2HB ALA 92 4.177 -16.628 3.265 660 3HB ALA 92 3HB ALA 92 4.164 -18.056 2.230 661 H LYS 93 H LYS 93 4.123 -15.434 0.761 662 HA LYS 93 HA LYS 93 3.800 -12.884 2.064 663 1HB LYS 93 1HB LYS 93 5.202 -14.128 -0.222 664 2HB LYS 93 2HB LYS 93 4.941 -12.396 -0.377 665 1HG LYS 93 1HG LYS 93 6.046 -11.982 1.741 666 2HG LYS 93 2HG LYS 93 6.159 -13.714 2.061 667 1HD LYS 93 1HD LYS 93 7.827 -14.039 0.465 668 2HD LYS 93 2HD LYS 93 7.364 -12.608 -0.456 669 1HE LYS 93 1HE LYS 93 8.395 -11.134 1.100 670 2HE LYS 93 2HE LYS 93 8.503 -12.398 2.343 671 1HZ LYS 93 1HZ LYS 93 9.825 -12.582 -0.309 672 2HZ LYS 93 2HZ LYS 93 10.036 -13.617 1.022 673 3HZ LYS 93 3HZ LYS 93 10.610 -12.019 1.085 674 H LYS 94 H LYS 94 2.164 -14.539 -0.537 675 HA LYS 94 HA LYS 94 0.993 -12.191 -1.795 676 1HB LYS 94 1HB LYS 94 0.941 -15.109 -1.981 677 2HB LYS 94 2HB LYS 94 -0.650 -14.402 -2.266 678 1HG LYS 94 1HG LYS 94 0.672 -12.719 -3.790 679 2HG LYS 94 2HG LYS 94 1.904 -13.983 -3.792 680 1HD LYS 94 1HD LYS 94 -0.574 -15.285 -4.221 681 2HD LYS 94 2HD LYS 94 -0.560 -13.876 -5.281 682 1HE LYS 94 1HE LYS 94 1.543 -14.557 -6.278 683 2HE LYS 94 2HE LYS 94 1.723 -15.873 -5.100 684 1HZ LYS 94 1HZ LYS 94 -0.565 -15.580 -6.975 685 2HZ LYS 94 2HZ LYS 94 -0.306 -16.863 -5.891 686 3HZ LYS 94 3HZ LYS 94 0.741 -16.636 -7.210 687 H LYS 95 H LYS 95 0.542 -13.563 1.229 688 HA LYS 95 HA LYS 95 -2.298 -12.594 1.388 689 1HB LYS 95 1HB LYS 95 -2.598 -14.650 2.332 690 2HB LYS 95 2HB LYS 95 -0.862 -14.960 2.310 691 1HG LYS 95 1HG LYS 95 -0.551 -13.872 4.423 692 2HG LYS 95 2HG LYS 95 -2.190 -13.218 4.399 693 1HD LYS 95 1HD LYS 95 -3.127 -15.185 5.084 694 2HD LYS 95 2HD LYS 95 -1.986 -16.165 4.163 695 1HE LYS 95 1HE LYS 95 -0.239 -15.777 5.842 696 2HE LYS 95 2HE LYS 95 -1.330 -14.715 6.753 697 1HZ LYS 95 1HZ LYS 95 -1.372 -17.013 7.588 698 2HZ LYS 95 2HZ LYS 95 -1.898 -17.550 6.065 699 3HZ LYS 95 3HZ LYS 95 -2.883 -16.524 6.995 700 H GLU 96 H GLU 96 0.842 -12.808 2.922 701 HA GLU 96 HA GLU 96 0.456 -10.951 5.054 702 1HB GLU 96 1HB GLU 96 2.502 -12.504 3.654 703 2HB GLU 96 2HB GLU 96 3.126 -10.993 4.289 704 1HG GLU 96 1HG GLU 96 1.825 -11.689 6.461 705 2HG GLU 96 2HG GLU 96 1.900 -13.303 5.749 706 H LEU 97 H LEU 97 1.765 -10.631 1.762 707 HA LEU 97 HA LEU 97 2.232 -7.749 2.020 708 1HB LEU 97 1HB LEU 97 2.323 -9.613 -0.356 709 2HB LEU 97 2HB LEU 97 3.100 -8.035 -0.226 710 HG LEU 97 HG LEU 97 3.764 -10.567 1.277 711 1HD1 LEU 97 1HD1 LEU 97 6.072 -9.320 0.467 712 2HD1 LEU 97 2HD1 LEU 97 4.950 -8.893 -0.824 713 3HD1 LEU 97 3HD1 LEU 97 5.243 -10.587 -0.436 714 1HD2 LEU 97 1HD2 LEU 97 4.484 -7.696 1.932 715 2HD2 LEU 97 2HD2 LEU 97 5.401 -9.076 2.537 716 3HD2 LEU 97 3HD2 LEU 97 3.707 -8.875 2.988 717 H THR 98 H THR 98 0.270 -9.654 -0.295 718 HA THR 98 HA THR 98 -1.343 -7.253 -0.849 719 HB THR 98 HB THR 98 -2.373 -8.853 -2.525 720 HG1 THR 98 1HG THR 98 -1.639 -10.862 -2.604 721 1HG2 THR 98 1HG2 THR 98 -0.727 -8.235 -3.953 722 2HG2 THR 98 2HG2 THR 98 0.505 -9.098 -3.032 723 3HG2 THR 98 3HG2 THR 98 0.017 -7.475 -2.547 724 H GLY 99 H GLY 99 -1.654 -10.191 1.011 725 1HA GLY 99 1HA GLY 99 -4.420 -10.555 1.092 726 2HA GLY 99 2HA GLY 99 -3.380 -10.796 2.498 727 H CYS 100 H CYS 100 -6.065 -9.252 1.698 728 HA CYS 100 HA CYS 100 -5.505 -6.576 2.718 729 1HB CYS 100 1HB CYS 100 -8.267 -7.577 2.794 730 2HB CYS 100 2HB CYS 100 -7.633 -6.146 2.024 731 H LYS 101 H LYS 101 -7.680 -9.124 3.922 732 HA LYS 101 HA LYS 101 -7.266 -8.056 6.664 733 1HB LYS 101 1HB LYS 101 -9.302 -9.286 7.163 734 2HB LYS 101 2HB LYS 101 -9.543 -8.428 5.641 735 1HG LYS 101 1HG LYS 101 -8.491 -10.761 4.722 736 2HG LYS 101 2HG LYS 101 -9.342 -11.338 6.156 737 1HD LYS 101 1HD LYS 101 -11.429 -10.441 5.389 738 2HD LYS 101 2HD LYS 101 -10.638 -9.539 4.096 739 1HE LYS 101 1HE LYS 101 -9.926 -11.706 3.064 740 2HE LYS 101 2HE LYS 101 -10.855 -12.562 4.311 741 1HZ LYS 101 1HZ LYS 101 -12.092 -10.383 2.754 742 2HZ LYS 101 2HZ LYS 101 -12.842 -11.670 3.573 743 3HZ LYS 101 3HZ LYS 101 -12.026 -11.951 2.111 744 H GLY 102 H GLY 102 -5.650 -9.038 7.819 745 1HA GLY 102 1HA GLY 102 -4.943 -11.069 9.017 746 2HA GLY 102 2HA GLY 102 -5.379 -12.004 7.586 747 H SER 103 H SER 103 -4.012 -9.385 6.268 748 HA SER 103 HA SER 103 -1.477 -10.754 5.758 749 1HB SER 103 1HB SER 103 -1.165 -8.851 4.231 750 2HB SER 103 2HB SER 103 -2.786 -9.508 4.057 751 HG SER 103 HG SER 103 -3.601 -7.754 4.952 752 H LYS 104 H LYS 104 0.068 -8.301 5.515 753 HA LYS 104 HA LYS 104 0.819 -7.920 8.380 754 1HB LYS 104 1HB LYS 104 2.151 -7.469 5.694 755 2HB LYS 104 2HB LYS 104 2.899 -7.035 7.229 756 1HG LYS 104 1HG LYS 104 1.883 -9.751 7.318 757 2HG LYS 104 2HG LYS 104 3.008 -9.543 5.974 758 1HD LYS 104 1HD LYS 104 4.795 -9.222 7.351 759 2HD LYS 104 2HD LYS 104 3.854 -8.283 8.511 760 1HE LYS 104 1HE LYS 104 3.459 -11.270 8.231 761 2HE LYS 104 2HE LYS 104 4.688 -10.588 9.317 762 1HZ LYS 104 1HZ LYS 104 1.981 -9.452 9.344 763 2HZ LYS 104 2HZ LYS 104 3.126 -9.542 10.597 764 3HZ LYS 104 3HZ LYS 104 2.244 -10.923 10.147 765 H CYS 105 H CYS 105 -0.336 -6.379 5.514 766 HA CYS 105 HA CYS 105 0.171 -3.637 6.333 767 1HB CYS 105 1HB CYS 105 -0.350 -5.082 4.035 768 2HB CYS 105 2HB CYS 105 -1.852 -4.232 4.299 769 H HIS 106 H HIS 106 -2.584 -5.879 6.498 770 HA HIS 106 HA HIS 106 -4.172 -3.727 7.864 771 1HB HIS 106 1HB HIS 106 -4.789 -6.012 6.034 772 2HB HIS 106 2HB HIS 106 -6.033 -5.499 7.173 773 HD1 HIS 106 HD1 HIS 106 -5.282 -2.435 7.100 774 HD2 HIS 106 HD2 HIS 106 -5.962 -4.824 3.735 775 HE1 HIS 106 HE1 HIS 106 -5.827 -0.853 5.205 776 H SER 107 H SER 107 -2.871 -4.435 9.850 777 HA SER 107 HA SER 107 -3.087 -7.061 10.969 778 1HB SER 107 1HB SER 107 -2.608 -4.279 12.041 779 2HB SER 107 2HB SER 107 -2.620 -5.678 13.111 780 HG SER 107 HG SER 107 -0.524 -5.163 12.280 781 HHA HEC 201 HHA HEC 201 6.111 8.895 5.704 782 HHB HEC 201 HHB HEC 201 12.229 9.684 4.896 783 HHC HEC 201 HHC HEC 201 12.460 4.702 1.040 784 HHD HEC 201 HHD HEC 201 6.346 3.750 1.836 785 1HMA HEC 201 1HMA HEC 201 11.488 10.591 6.987 786 2HMA HEC 201 2HMA HEC 201 10.015 10.730 7.953 787 3HMA HEC 201 3HMA HEC 201 10.365 11.920 6.698 788 1HAA HEC 201 1HAA HEC 201 6.592 10.035 7.183 789 2HAA HEC 201 2HAA HEC 201 7.941 10.978 7.812 790 1HBA HEC 201 1HBA HEC 201 6.949 11.722 5.113 791 2HBA HEC 201 2HBA HEC 201 5.893 12.098 6.473 792 1HMB HEC 201 1HMB HEC 201 15.168 7.962 4.478 793 2HMB HEC 201 2HMB HEC 201 14.165 9.413 4.483 794 3HMB HEC 201 3HMB HEC 201 15.067 8.968 3.033 795 HAB HEC 201 HAB HEC 201 14.339 5.322 1.251 796 1HBB HEC 201 1HBB HEC 201 16.660 6.247 2.504 797 2HBB HEC 201 2HBB HEC 201 15.851 4.710 2.814 798 3HBB HEC 201 3HBB HEC 201 15.483 6.118 3.811 799 1HMC HEC 201 1HMC HEC 201 10.550 2.353 -0.934 800 2HMC HEC 201 2HMC HEC 201 11.939 3.171 -0.219 801 3HMC HEC 201 3HMC HEC 201 11.299 1.706 0.525 802 HAC HEC 201 HAC HEC 201 6.886 2.409 0.664 803 1HBC HEC 201 1HBC HEC 201 9.393 0.789 0.690 804 2HBC HEC 201 2HBC HEC 201 8.053 0.232 -0.312 805 3HBC HEC 201 3HBC HEC 201 7.827 0.443 1.423 806 1HMD HEC 201 1HMD HEC 201 4.212 3.727 4.157 807 2HMD HEC 201 2HMD HEC 201 3.120 5.052 3.757 808 3HMD HEC 201 3HMD HEC 201 4.012 4.233 2.479 809 1HAD HEC 201 1HAD HEC 201 4.302 8.278 5.531 810 2HAD HEC 201 2HAD HEC 201 3.261 7.704 4.236 811 1HBD HEC 201 1HBD HEC 201 2.831 5.633 5.464 812 2HBD HEC 201 2HBD HEC 201 3.938 6.138 6.739 813 HHA HEC 202 HHA HEC 202 1.618 7.644 -9.512 814 HHB HEC 202 HHB HEC 202 2.830 4.103 -4.794 815 HHC HEC 202 HHC HEC 202 4.602 8.982 -1.272 816 HHD HEC 202 HHD HEC 202 2.580 12.891 -5.885 817 1HMA HEC 202 1HMA HEC 202 0.416 3.221 -7.548 818 2HMA HEC 202 2HMA HEC 202 0.914 3.212 -5.856 819 3HMA HEC 202 3HMA HEC 202 2.074 2.797 -7.119 820 1HAA HEC 202 1HAA HEC 202 1.112 5.209 -9.997 821 2HAA HEC 202 2HAA HEC 202 -0.012 4.395 -8.950 822 1HBA HEC 202 1HBA HEC 202 -1.332 6.402 -8.695 823 2HBA HEC 202 2HBA HEC 202 -0.149 7.340 -9.603 824 1HMB HEC 202 1HMB HEC 202 4.543 3.742 -1.518 825 2HMB HEC 202 2HMB HEC 202 2.836 3.646 -1.956 826 3HMB HEC 202 3HMB HEC 202 4.077 3.307 -3.163 827 HAB HEC 202 HAB HEC 202 4.259 7.056 0.094 828 1HBB HEC 202 1HBB HEC 202 6.491 6.923 0.336 829 2HBB HEC 202 2HBB HEC 202 6.621 6.292 -1.305 830 3HBB HEC 202 3HBB HEC 202 6.418 5.184 0.050 831 1HMC HEC 202 1HMC HEC 202 5.789 11.482 -1.186 832 2HMC HEC 202 2HMC HEC 202 4.692 12.860 -1.116 833 3HMC HEC 202 3HMC HEC 202 4.216 11.318 -0.406 834 HAC HEC 202 HAC HEC 202 2.701 13.990 -4.128 835 1HBC HEC 202 1HBC HEC 202 5.321 13.899 -2.653 836 2HBC HEC 202 2HBC HEC 202 4.306 15.326 -2.445 837 3HBC HEC 202 3HBC HEC 202 4.867 14.870 -4.054 838 1HMD HEC 202 1HMD HEC 202 0.886 13.291 -8.327 839 2HMD HEC 202 2HMD HEC 202 1.897 12.960 -9.735 840 3HMD HEC 202 3HMD HEC 202 2.630 13.549 -8.242 841 1HAD HEC 202 1HAD HEC 202 1.908 9.255 -10.768 842 2HAD HEC 202 2HAD HEC 202 1.059 10.795 -10.871 843 1HBD HEC 202 1HBD HEC 202 3.684 11.527 -10.317 844 2HBD HEC 202 2HBD HEC 202 3.850 10.168 -11.429 845 HHA HEC 203 HHA HEC 203 6.981 -6.872 4.636 846 HHB HEC 203 HHB HEC 203 2.644 -2.041 4.963 847 HHC HEC 203 HHC HEC 203 4.562 0.041 -0.434 848 HHD HEC 203 HHD HEC 203 8.829 -4.549 -0.914 849 1HMA HEC 203 1HMA HEC 203 2.108 -3.827 6.584 850 2HMA HEC 203 2HMA HEC 203 3.423 -3.457 7.700 851 3HMA HEC 203 3HMA HEC 203 2.890 -5.126 7.485 852 1HAA HEC 203 1HAA HEC 203 4.644 -6.142 7.727 853 2HAA HEC 203 2HAA HEC 203 4.555 -7.337 6.441 854 1HBA HEC 203 1HBA HEC 203 6.825 -7.646 6.384 855 2HBA HEC 203 2HBA HEC 203 7.168 -5.962 6.787 856 1HMB HEC 203 1HMB HEC 203 1.122 -0.381 4.192 857 2HMB HEC 203 2HMB HEC 203 2.427 0.441 5.047 858 3HMB HEC 203 3HMB HEC 203 1.648 1.219 3.668 859 HAB HEC 203 HAB HEC 203 2.656 0.902 0.161 860 1HBB HEC 203 1HBB HEC 203 4.448 2.374 0.279 861 2HBB HEC 203 2HBB HEC 203 4.366 2.494 2.036 862 3HBB HEC 203 3HBB HEC 203 3.200 3.364 1.037 863 1HMC HEC 203 1HMC HEC 203 5.993 -0.775 -3.509 864 2HMC HEC 203 2HMC HEC 203 7.161 0.250 -2.675 865 3HMC HEC 203 3HMC HEC 203 5.461 0.290 -2.207 866 HAC HEC 203 HAC HEC 203 9.049 -3.466 -2.535 867 1HBC HEC 203 1HBC HEC 203 9.187 -0.865 -2.499 868 2HBC HEC 203 2HBC HEC 203 8.200 -0.945 -3.954 869 3HBC HEC 203 3HBC HEC 203 9.789 -1.709 -3.925 870 1HMD HEC 203 1HMD HEC 203 10.292 -5.965 -0.237 871 2HMD HEC 203 2HMD HEC 203 9.734 -7.626 -0.039 872 3HMD HEC 203 3HMD HEC 203 10.815 -6.910 1.158 873 1HAD HEC 203 1HAD HEC 203 10.040 -7.716 3.317 874 2HAD HEC 203 2HAD HEC 203 8.521 -7.943 4.176 875 1HBD HEC 203 1HBD HEC 203 7.694 -9.428 2.458 876 2HBD HEC 203 2HBD HEC 203 9.083 -9.082 1.427 877 HHA HEC 204 HHA HEC 204 -6.890 2.244 3.884 878 HHB HEC 204 HHB HEC 204 -10.275 -2.303 1.163 879 HHC HEC 204 HHC HEC 204 -4.987 -5.892 0.931 880 HHD HEC 204 HHD HEC 204 -1.616 -0.962 2.676 881 1HMA HEC 204 1HMA HEC 204 -11.540 0.928 1.712 882 2HMA HEC 204 2HMA HEC 204 -11.800 0.073 3.234 883 3HMA HEC 204 3HMA HEC 204 -11.593 -0.835 1.737 884 1HAA HEC 204 1HAA HEC 204 -10.080 2.135 4.560 885 2HAA HEC 204 2HAA HEC 204 -8.615 2.885 3.938 886 1HBA HEC 204 1HBA HEC 204 -9.769 3.150 1.721 887 2HBA HEC 204 2HBA HEC 204 -11.242 2.553 2.480 888 1HMB HEC 204 1HMB HEC 204 -10.785 -3.890 -0.035 889 2HMB HEC 204 2HMB HEC 204 -10.406 -5.611 0.045 890 3HMB HEC 204 3HMB HEC 204 -10.017 -4.687 -1.407 891 HAB HEC 204 HAB HEC 204 -6.651 -6.960 0.249 892 1HBB HEC 204 1HBB HEC 204 -5.946 -6.236 -1.884 893 2HBB HEC 204 2HBB HEC 204 -7.578 -5.761 -2.360 894 3HBB HEC 204 3HBB HEC 204 -7.160 -7.469 -2.222 895 1HMC HEC 204 1HMC HEC 204 -1.874 -6.032 0.351 896 2HMC HEC 204 2HMC HEC 204 -1.633 -6.156 2.094 897 3HMC HEC 204 3HMC HEC 204 -3.177 -6.623 1.381 898 HAC HEC 204 HAC HEC 204 -0.597 -2.500 2.975 899 1HBC HEC 204 1HBC HEC 204 0.301 -4.336 0.730 900 2HBC HEC 204 2HBC HEC 204 1.291 -3.195 1.642 901 3HBC HEC 204 3HBC HEC 204 0.066 -2.601 0.522 902 1HMD HEC 204 1HMD HEC 204 -1.109 1.453 2.694 903 2HMD HEC 204 2HMD HEC 204 -1.716 2.674 3.812 904 3HMD HEC 204 3HMD HEC 204 -1.272 1.075 4.409 905 1HAD HEC 204 1HAD HEC 204 -3.767 3.866 3.621 906 2HAD HEC 204 2HAD HEC 204 -5.425 3.507 4.093 907 1HBD HEC 204 1HBD HEC 204 -4.160 2.230 6.078 908 2HBD HEC 204 2HBD HEC 204 -2.938 3.451 5.723
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