NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
7609 | 1krw | 5303 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 11.782 -16.452 3.617 2 2H MET 1 2HT MET 1 11.800 -16.494 3.339 3 3H MET 1 3HT MET 1 11.877 -16.387 3.391 4 HA MET 1 HA MET 1 11.627 -15.939 3.415 5 1HB MET 1 2HB MET 1 12.325 -16.891 3.326 6 2HB MET 1 1HB MET 1 12.258 -16.667 3.606 7 1HG MET 1 2HG MET 1 11.962 -16.827 3.849 8 2HG MET 1 1HG MET 1 12.026 -16.697 3.619 9 1HE MET 1 1HE MET 1 12.682 -17.365 4.107 10 2HE MET 1 2HE MET 1 12.535 -17.368 3.972 11 3HE MET 1 3HE MET 1 12.741 -17.608 3.878 12 H GLN 2 H GLN 2 11.373 -14.928 2.769 13 HA GLN 2 HA GLN 2 10.576 -14.822 1.581 14 1HB GLN 2 2HB GLN 2 9.999 -14.087 3.097 15 2HB GLN 2 1HB GLN 2 10.185 -13.150 2.053 16 1HG GLN 2 2HG GLN 2 9.050 -14.082 1.925 17 2HG GLN 2 1HG GLN 2 9.231 -14.811 2.077 18 1HE2 GLN 2 1HE2 GLN 2 8.170 -14.687 2.778 19 2HE2 GLN 2 2HE2 GLN 2 7.918 -15.043 3.420 20 H ARG 3 H ARG 3 11.524 -13.622 0.366 21 HA ARG 3 HA ARG 3 13.361 -12.467 0.180 22 1HB ARG 3 2HB ARG 3 12.777 -12.554 -1.459 23 2HB ARG 3 1HB ARG 3 12.098 -12.824 -1.431 24 1HG ARG 3 2HG ARG 3 11.203 -12.006 -2.480 25 2HG ARG 3 1HG ARG 3 12.168 -11.165 -2.359 26 1HD ARG 3 2HD ARG 3 12.877 -12.891 -3.363 27 2HD ARG 3 1HD ARG 3 12.216 -13.115 -3.659 28 HE ARG 3 HE ARG 3 12.592 -12.114 -4.187 29 1HH1 ARG 3 1HH1 ARG 3 12.581 -13.241 -4.482 30 2HH1 ARG 3 2HH1 ARG 3 12.761 -13.198 -5.534 31 1HH2 ARG 3 1HH2 ARG 3 12.829 -12.060 -5.570 32 2HH2 ARG 3 2HH2 ARG 3 12.903 -12.530 -6.151 33 H GLY 4 H GLY 4 10.557 -11.245 0.687 34 1HA GLY 4 2HA GLY 4 9.747 -9.325 1.669 35 2HA GLY 4 1HA GLY 4 11.393 -8.787 1.651 36 H ILE 5 H ILE 5 8.453 -9.017 -0.183 37 HA ILE 5 HA ILE 5 9.563 -7.138 -2.148 38 HB ILE 5 HB ILE 5 7.104 -8.818 -2.542 39 1HG1 ILE 5 2HG1 ILE 5 8.886 -10.113 -3.472 40 2HG1 ILE 5 1HG1 ILE 5 9.497 -9.788 -3.199 41 1HG2 ILE 5 1HG2 ILE 5 7.854 -7.443 -4.395 42 2HG2 ILE 5 2HG2 ILE 5 7.835 -7.609 -4.483 43 3HG2 ILE 5 3HG2 ILE 5 8.004 -7.528 -4.470 44 1HD1 ILE 5 1HD1 ILE 5 9.275 -10.696 -2.661 45 2HD1 ILE 5 2HD1 ILE 5 9.051 -10.564 -2.596 46 3HD1 ILE 5 3HD1 ILE 5 9.347 -10.617 -2.365 47 H VAL 6 H VAL 6 8.972 -5.114 -1.761 48 HA VAL 6 HA VAL 6 6.307 -4.614 -0.626 49 HB VAL 6 HB VAL 6 8.113 -3.701 0.738 50 1HG1 VAL 6 1HG1 VAL 6 9.456 -2.475 -0.896 51 2HG1 VAL 6 2HG1 VAL 6 9.333 -2.472 -0.943 52 3HG1 VAL 6 3HG1 VAL 6 9.404 -2.559 -0.961 53 1HG2 VAL 6 1HG2 VAL 6 6.513 -1.921 0.285 54 2HG2 VAL 6 2HG2 VAL 6 6.678 -1.744 0.116 55 3HG2 VAL 6 3HG2 VAL 6 6.753 -1.787 0.398 56 H TRP 7 H TRP 7 4.813 -3.725 -1.890 57 HA TRP 7 HA TRP 7 5.713 -2.391 -4.352 58 1HB TRP 7 2HB TRP 7 3.362 -4.172 -3.807 59 2HB TRP 7 1HB TRP 7 3.314 -3.019 -5.136 60 HD1 TRP 7 HD1 TRP 7 6.749 -4.311 -4.677 61 HE1 TRP 7 1HE TRP 7 7.302 -6.066 -6.459 62 HE3 TRP 7 3HE TRP 7 2.043 -5.130 -6.489 63 HZ2 TRP 7 2HZ TRP 7 5.927 -7.613 -8.370 64 HZ3 TRP 7 3HZ TRP 7 1.752 -6.771 -8.295 65 HH2 TRP 7 HH2 TRP 7 3.656 -7.987 -9.214 66 H VAL 8 H VAL 8 5.047 -0.374 -4.743 67 HA VAL 8 HA VAL 8 3.138 0.828 -2.849 68 HB VAL 8 HB VAL 8 5.110 2.605 -4.118 69 1HG1 VAL 8 1HG1 VAL 8 4.252 3.154 -1.952 70 2HG1 VAL 8 2HG1 VAL 8 4.221 3.102 -1.929 71 3HG1 VAL 8 3HG1 VAL 8 4.197 3.145 -1.959 72 1HG2 VAL 8 1HG2 VAL 8 6.482 1.248 -2.619 73 2HG2 VAL 8 2HG2 VAL 8 6.511 1.198 -2.790 74 3HG2 VAL 8 3HG2 VAL 8 6.380 1.106 -2.702 75 H VAL 9 H VAL 9 1.648 2.290 -3.637 76 HA VAL 9 HA VAL 9 1.637 2.676 -6.549 77 HB VAL 9 HB VAL 9 -0.987 2.773 -5.614 78 1HG1 VAL 9 1HG1 VAL 9 -0.537 1.318 -7.378 79 2HG1 VAL 9 2HG1 VAL 9 -0.435 1.548 -7.263 80 3HG1 VAL 9 3HG1 VAL 9 -0.570 1.491 -7.327 81 1HG2 VAL 9 1HG2 VAL 9 -0.555 0.650 -4.760 82 2HG2 VAL 9 2HG2 VAL 9 -0.807 0.936 -4.486 83 3HG2 VAL 9 3HG2 VAL 9 -0.235 1.004 -4.558 84 H ASP 10 H ASP 10 2.102 4.725 -6.896 85 HA ASP 10 HA ASP 10 0.471 6.821 -5.860 86 1HB ASP 10 2HB ASP 10 2.361 6.480 -4.244 87 2HB ASP 10 1HB ASP 10 3.079 7.144 -4.954 88 H ASP 11 H ASP 11 1.859 8.569 -6.838 89 HA ASP 11 HA ASP 11 1.722 9.037 -9.360 90 1HB ASP 11 2HB ASP 11 2.752 10.661 -7.404 91 2HB ASP 11 1HB ASP 11 3.500 10.787 -8.512 92 H ASP 12 H ASP 12 4.130 7.320 -7.970 93 HA ASP 12 HA ASP 12 5.813 6.112 -8.746 94 1HB ASP 12 2HB ASP 12 4.775 6.457 -10.945 95 2HB ASP 12 1HB ASP 12 5.620 7.089 -11.203 96 H SER 13 H SER 13 7.637 7.289 -10.761 97 HA SER 13 HA SER 13 9.692 8.052 -10.439 98 1HB SER 13 2HB SER 13 8.579 9.808 -11.566 99 2HB SER 13 1HB SER 13 8.478 10.108 -10.999 100 HG SER 13 HG SER 13 9.074 9.980 -11.470 101 H SER 14 H SER 14 8.151 10.754 -8.957 102 HA SER 14 HA SER 14 10.141 11.238 -7.129 103 1HB SER 14 2HB SER 14 7.974 12.535 -7.647 104 2HB SER 14 1HB SER 14 7.563 12.140 -6.418 105 HG SER 14 HG SER 14 9.097 13.330 -6.460 106 H ILE 15 H ILE 15 6.983 9.766 -6.468 107 HA ILE 15 HA ILE 15 7.599 9.087 -3.819 108 HB ILE 15 HB ILE 15 5.578 7.689 -5.545 109 1HG1 ILE 15 2HG1 ILE 15 5.289 10.134 -5.673 110 2HG1 ILE 15 1HG1 ILE 15 3.968 9.358 -4.830 111 1HG2 ILE 15 1HG2 ILE 15 5.296 7.466 -3.118 112 2HG2 ILE 15 2HG2 ILE 15 5.531 7.381 -3.086 113 3HG2 ILE 15 3HG2 ILE 15 5.368 7.243 -3.218 114 1HD1 ILE 15 1HD1 ILE 15 5.329 10.719 -3.326 115 2HD1 ILE 15 2HD1 ILE 15 5.230 10.720 -3.299 116 3HD1 ILE 15 3HD1 ILE 15 5.265 10.786 -3.368 117 H ARG 16 H ARG 16 8.295 7.580 -6.824 118 HA ARG 16 HA ARG 16 8.761 4.965 -5.823 119 1HB ARG 16 2HB ARG 16 8.406 5.355 -8.176 120 2HB ARG 16 1HB ARG 16 9.681 6.185 -8.305 121 1HG ARG 16 2HG ARG 16 10.582 4.212 -7.654 122 2HG ARG 16 1HG ARG 16 9.404 3.704 -8.160 123 1HD ARG 16 2HD ARG 16 10.454 4.621 -9.700 124 2HD ARG 16 1HD ARG 16 11.022 4.333 -9.595 125 HE ARG 16 HE ARG 16 10.541 3.827 -10.110 126 1HH1 ARG 16 1HH1 ARG 16 11.375 3.865 -10.919 127 2HH1 ARG 16 2HH1 ARG 16 11.784 3.309 -12.090 128 1HH2 ARG 16 1HH2 ARG 16 11.081 3.098 -11.649 129 2HH2 ARG 16 2HH2 ARG 16 11.617 2.874 -12.505 130 H TRP 17 H TRP 17 10.911 7.609 -6.722 131 HA TRP 17 HA TRP 17 13.300 6.339 -6.081 132 1HB TRP 17 2HB TRP 17 13.127 8.429 -7.395 133 2HB TRP 17 1HB TRP 17 12.745 9.287 -5.920 134 HD1 TRP 17 HD1 TRP 17 15.630 7.371 -7.522 135 HE1 TRP 17 1HE TRP 17 17.818 8.176 -6.472 136 HE3 TRP 17 3HE TRP 17 13.734 10.414 -3.982 137 HZ2 TRP 17 2HZ TRP 17 18.632 9.874 -4.414 138 HZ3 TRP 17 3HZ TRP 17 15.286 11.592 -2.510 139 HH2 TRP 17 HH2 TRP 17 17.684 11.326 -2.724 140 H VAL 18 H VAL 18 11.216 8.366 -4.068 141 HA VAL 18 HA VAL 18 12.928 8.437 -1.855 142 HB VAL 18 HB VAL 18 9.960 8.608 -1.582 143 1HG1 VAL 18 1HG1 VAL 18 11.405 9.634 0.140 144 2HG1 VAL 18 2HG1 VAL 18 11.298 9.608 0.153 145 3HG1 VAL 18 3HG1 VAL 18 11.316 9.694 0.084 146 1HG2 VAL 18 1HG2 VAL 18 10.943 10.587 -2.749 147 2HG2 VAL 18 2HG2 VAL 18 10.708 10.638 -2.665 148 3HG2 VAL 18 3HG2 VAL 18 10.742 10.474 -2.859 149 H LEU 19 H LEU 19 10.174 6.362 -2.508 150 HA LEU 19 HA LEU 19 10.548 4.908 -0.088 151 1HB LEU 19 2HB LEU 19 8.458 5.205 -1.847 152 2HB LEU 19 1HB LEU 19 8.795 3.622 -1.899 153 HG LEU 19 HG LEU 19 7.884 4.023 -0.159 154 1HD1 LEU 19 1HD1 LEU 19 8.042 3.962 0.442 155 2HD1 LEU 19 2HD1 LEU 19 8.380 4.070 0.654 156 3HD1 LEU 19 3HD1 LEU 19 8.125 3.929 0.657 157 1HD2 LEU 19 1HD2 LEU 19 7.558 4.458 0.677 158 2HD2 LEU 19 2HD2 LEU 19 7.388 4.521 0.498 159 3HD2 LEU 19 3HD2 LEU 19 7.508 4.835 0.526 160 H GLU 20 H GLU 20 11.479 4.427 -3.386 161 HA GLU 20 HA GLU 20 11.955 1.664 -3.191 162 1HB GLU 20 2HB GLU 20 13.144 1.994 -5.264 163 2HB GLU 20 1HB GLU 20 11.867 2.754 -5.330 164 1HG GLU 20 2HG GLU 20 12.994 4.613 -4.941 165 2HG GLU 20 1HG GLU 20 14.118 3.680 -4.979 166 H ARG 21 H ARG 21 14.286 4.296 -3.228 167 HA ARG 21 HA ARG 21 16.494 2.736 -2.604 168 1HB ARG 21 2HB ARG 21 15.961 5.656 -2.112 169 2HB ARG 21 1HB ARG 21 17.505 4.901 -1.833 170 1HG ARG 21 2HG ARG 21 16.503 4.387 -4.431 171 2HG ARG 21 1HG ARG 21 16.691 5.979 -4.156 172 1HD ARG 21 2HD ARG 21 18.707 5.203 -3.833 173 2HD ARG 21 1HD ARG 21 18.676 4.485 -4.025 174 HE ARG 21 HE ARG 21 18.393 5.267 -5.160 175 1HH1 ARG 21 1HH1 ARG 21 19.832 4.458 -4.107 176 2HH1 ARG 21 2HH1 ARG 21 20.670 4.416 -4.777 177 1HH2 ARG 21 1HH2 ARG 21 19.495 5.210 -6.036 178 2HH2 ARG 21 2HH2 ARG 21 20.479 4.842 -5.870 179 H ALA 22 H ALA 22 14.488 4.679 -0.406 180 HA ALA 22 HA ALA 22 15.844 4.056 1.911 181 1HB ALA 22 1HB ALA 22 13.714 5.215 1.991 182 2HB ALA 22 2HB ALA 22 13.766 5.116 2.353 183 3HB ALA 22 3HB ALA 22 13.515 4.930 2.136 184 H LEU 23 H LEU 23 13.118 2.413 0.462 185 HA LEU 23 HA LEU 23 12.980 0.441 2.500 186 1HB LEU 23 2HB LEU 23 11.227 1.161 0.678 187 2HB LEU 23 1HB LEU 23 11.881 -0.095 -0.143 188 HG LEU 23 HG LEU 23 10.652 -0.766 1.394 189 1HD1 LEU 23 1HD1 LEU 23 10.772 -1.079 1.776 190 2HD1 LEU 23 2HD1 LEU 23 10.596 -1.066 1.676 191 3HD1 LEU 23 3HD1 LEU 23 10.734 -1.293 1.886 192 1HD2 LEU 23 1HD2 LEU 23 10.364 -0.782 2.079 193 2HD2 LEU 23 2HD2 LEU 23 10.124 -1.265 2.266 194 3HD2 LEU 23 3HD2 LEU 23 10.037 -1.025 2.074 195 H ALA 24 H ALA 24 14.778 0.825 -0.402 196 HA ALA 24 HA ALA 24 15.505 -1.884 -0.770 197 1HB ALA 24 1HB ALA 24 16.666 -0.102 -2.068 198 2HB ALA 24 2HB ALA 24 16.594 -0.249 -2.182 199 3HB ALA 24 3HB ALA 24 16.768 -0.273 -2.086 200 H GLY 25 H GLY 25 16.696 0.782 1.156 201 1HA GLY 25 2HA GLY 25 19.136 -0.381 1.963 202 2HA GLY 25 1HA GLY 25 18.247 0.853 2.838 203 H ALA 26 H ALA 26 15.851 -0.906 2.896 204 HA ALA 26 HA ALA 26 16.454 -2.232 5.343 205 1HB ALA 26 1HB ALA 26 14.061 -2.297 4.817 206 2HB ALA 26 2HB ALA 26 14.099 -1.977 4.433 207 3HB ALA 26 3HB ALA 26 14.168 -1.820 4.901 208 H GLY 27 H GLY 27 16.538 -3.098 2.067 209 1HA GLY 27 2HA GLY 27 17.522 -5.115 1.350 210 2HA GLY 27 1HA GLY 27 17.013 -5.869 2.841 211 H LEU 28 H LEU 28 14.719 -4.011 0.930 212 HA LEU 28 HA LEU 28 13.594 -6.543 0.032 213 1HB LEU 28 2HB LEU 28 11.698 -4.373 0.575 214 2HB LEU 28 1HB LEU 28 11.522 -6.090 0.791 215 HG LEU 28 HG LEU 28 13.275 -5.621 2.735 216 1HD1 LEU 28 1HD1 LEU 28 12.735 -3.361 3.022 217 2HD1 LEU 28 2HD1 LEU 28 12.471 -3.303 2.867 218 3HD1 LEU 28 3HD1 LEU 28 12.745 -3.264 2.724 219 1HD2 LEU 28 1HD2 LEU 28 10.943 -5.782 3.380 220 2HD2 LEU 28 2HD2 LEU 28 10.962 -5.809 3.411 221 3HD2 LEU 28 3HD2 LEU 28 10.941 -5.831 3.382 222 H THR 29 H THR 29 11.893 -6.235 -1.694 223 HA THR 29 HA THR 29 13.022 -4.526 -3.753 224 HB THR 29 HB THR 29 10.985 -6.729 -3.855 225 HG1 THR 29 1HG THR 29 13.279 -7.091 -4.360 226 1HG2 THR 29 1HG2 THR 29 11.164 -5.791 -6.016 227 2HG2 THR 29 2HG2 THR 29 11.390 -5.672 -6.046 228 3HG2 THR 29 3HG2 THR 29 11.181 -5.534 -5.976 229 H CYS 30 H CYS 30 12.217 -2.577 -3.999 230 HA CYS 30 HA CYS 30 9.416 -2.073 -3.337 231 1HB CYS 30 2HB CYS 30 10.959 -0.463 -2.501 232 2HB CYS 30 1HB CYS 30 11.230 -0.175 -3.007 233 HG CYS 30 HG CYS 30 10.467 0.296 -2.591 234 H THR 31 H THR 31 8.137 -1.965 -5.033 235 HA THR 31 HA THR 31 9.103 -0.565 -7.429 236 HB THR 31 HB THR 31 8.711 -3.130 -7.626 237 HG1 THR 31 1HG THR 31 8.080 -1.801 -9.471 238 1HG2 THR 31 1HG2 THR 31 6.365 -3.201 -7.332 239 2HG2 THR 31 2HG2 THR 31 6.286 -3.137 -7.700 240 3HG2 THR 31 3HG2 THR 31 6.224 -2.865 -7.440 241 H THR 32 H THR 32 7.583 0.836 -8.398 242 HA THR 32 HA THR 32 5.218 1.353 -6.765 243 HB THR 32 HB THR 32 5.459 3.716 -7.244 244 HG1 THR 32 1HG THR 32 6.955 3.700 -8.894 245 1HG2 THR 32 1HG2 THR 32 7.424 3.228 -5.905 246 2HG2 THR 32 2HG2 THR 32 7.383 3.124 -5.870 247 3HG2 THR 32 3HG2 THR 32 7.339 3.223 -5.824 248 H PHE 33 H PHE 33 3.459 2.485 -7.842 249 HA PHE 33 HA PHE 33 3.249 1.872 -10.688 250 1HB PHE 33 2HB PHE 33 1.153 1.258 -8.636 251 2HB PHE 33 1HB PHE 33 1.016 0.995 -10.351 252 HD1 PHE 33 1HD PHE 33 1.813 -0.853 -10.279 253 HD2 PHE 33 2HD PHE 33 2.879 -0.171 -8.390 254 HE1 PHE 33 1HE PHE 33 2.771 -3.088 -10.001 255 HE2 PHE 33 2HE PHE 33 3.847 -2.402 -8.109 256 HZ PHE 33 HZ PHE 33 3.780 -3.881 -8.922 257 H GLU 34 H GLU 34 1.110 2.837 -11.574 258 HA GLU 34 HA GLU 34 1.313 5.604 -11.400 259 1HB GLU 34 2HB GLU 34 -0.594 5.656 -12.877 260 2HB GLU 34 1HB GLU 34 0.464 4.397 -13.347 261 1HG GLU 34 2HG GLU 34 -1.351 3.323 -12.565 262 2HG GLU 34 1HG GLU 34 -1.605 3.718 -12.273 263 H ASN 35 H ASN 35 -1.175 3.625 -10.012 264 HA ASN 35 HA ASN 35 -1.645 5.454 -7.956 265 1HB ASN 35 2HB ASN 35 -3.429 5.740 -9.721 266 2HB ASN 35 1HB ASN 35 -3.795 5.538 -9.238 267 1HD2 ASN 35 1HD2 ASN 35 -3.711 6.695 -9.146 268 2HD2 ASN 35 2HD2 ASN 35 -4.039 7.294 -9.147 269 H GLY 36 H GLY 36 -3.290 2.985 -8.949 270 1HA GLY 36 2HA GLY 36 -3.054 1.267 -6.919 271 2HA GLY 36 1HA GLY 36 -4.653 1.931 -7.060 272 H ASN 37 H ASN 37 -4.992 1.835 -9.784 273 HA ASN 37 HA ASN 37 -5.859 -0.771 -10.144 274 1HB ASN 37 2HB ASN 37 -5.921 1.597 -11.688 275 2HB ASN 37 1HB ASN 37 -5.678 0.326 -12.636 276 1HD2 ASN 37 1HD2 ASN 37 -7.733 -0.324 -10.389 277 2HD2 ASN 37 2HD2 ASN 37 -9.010 -0.349 -10.875 278 H GLU 38 H GLU 38 -2.884 0.792 -11.054 279 HA GLU 38 HA GLU 38 -1.924 -1.047 -12.892 280 1HB GLU 38 2HB GLU 38 -0.934 1.174 -11.748 281 2HB GLU 38 1HB GLU 38 0.059 0.042 -11.115 282 1HG GLU 38 2HG GLU 38 0.195 -0.075 -13.393 283 2HG GLU 38 1HG GLU 38 0.200 0.626 -13.455 284 H VAL 39 H VAL 39 -1.263 -0.986 -9.342 285 HA VAL 39 HA VAL 39 0.223 -3.329 -9.255 286 HB VAL 39 HB VAL 39 -1.702 -2.526 -7.107 287 1HG1 VAL 39 1HG1 VAL 39 0.106 -4.093 -6.540 288 2HG1 VAL 39 2HG1 VAL 39 -0.098 -4.154 -6.533 289 3HG1 VAL 39 3HG1 VAL 39 -0.020 -4.033 -6.374 290 1HG2 VAL 39 1HG2 VAL 39 0.272 -1.145 -7.207 291 2HG2 VAL 39 2HG2 VAL 39 0.326 -1.160 -7.083 292 3HG2 VAL 39 3HG2 VAL 39 0.163 -1.177 -7.113 293 H LEU 40 H LEU 40 -3.253 -2.912 -9.289 294 HA LEU 40 HA LEU 40 -4.041 -5.497 -8.658 295 1HB LEU 40 2HB LEU 40 -5.430 -3.819 -10.709 296 2HB LEU 40 1HB LEU 40 -6.130 -4.980 -9.618 297 HG LEU 40 HG LEU 40 -5.010 -2.302 -8.863 298 1HD1 LEU 40 1HD1 LEU 40 -7.389 -2.294 -8.919 299 2HD1 LEU 40 2HD1 LEU 40 -7.497 -2.591 -9.021 300 3HD1 LEU 40 3HD1 LEU 40 -7.369 -2.379 -9.238 301 1HD2 LEU 40 1HD2 LEU 40 -5.571 -3.667 -6.970 302 2HD2 LEU 40 2HD2 LEU 40 -5.545 -3.744 -6.997 303 3HD2 LEU 40 3HD2 LEU 40 -5.622 -3.728 -6.965 304 H ALA 41 H ALA 41 -3.207 -4.091 -11.783 305 HA ALA 41 HA ALA 41 -3.711 -6.422 -13.286 306 1HB ALA 41 1HB ALA 41 -2.509 -4.523 -14.398 307 2HB ALA 41 2HB ALA 41 -2.837 -4.400 -14.364 308 3HB ALA 41 3HB ALA 41 -2.772 -4.687 -14.560 309 H ALA 42 H ALA 42 -0.763 -4.998 -12.049 310 HA ALA 42 HA ALA 42 0.985 -6.984 -12.997 311 1HB ALA 42 1HB ALA 42 1.977 -5.351 -11.543 312 2HB ALA 42 2HB ALA 42 1.903 -5.361 -11.377 313 3HB ALA 42 3HB ALA 42 1.846 -5.237 -11.496 314 H LEU 43 H LEU 43 -0.964 -6.714 -10.130 315 HA LEU 43 HA LEU 43 0.264 -8.709 -8.600 316 1HB LEU 43 2HB LEU 43 -2.383 -7.384 -8.592 317 2HB LEU 43 1HB LEU 43 -2.180 -8.836 -7.650 318 HG LEU 43 HG LEU 43 -0.350 -6.520 -7.339 319 1HD1 LEU 43 1HD1 LEU 43 -2.464 -6.246 -6.127 320 2HD1 LEU 43 2HD1 LEU 43 -2.323 -6.105 -6.163 321 3HD1 LEU 43 3HD1 LEU 43 -2.321 -6.209 -5.987 322 1HD2 LEU 43 1HD2 LEU 43 -0.400 -8.367 -5.718 323 2HD2 LEU 43 2HD2 LEU 43 -0.156 -8.161 -5.631 324 3HD2 LEU 43 3HD2 LEU 43 -0.126 -8.370 -5.881 325 H ALA 44 H ALA 44 -1.888 -8.868 -11.272 326 HA ALA 44 HA ALA 44 -3.080 -11.344 -10.887 327 1HB ALA 44 1HB ALA 44 -2.952 -10.458 -13.243 328 2HB ALA 44 2HB ALA 44 -3.186 -10.243 -13.071 329 3HB ALA 44 3HB ALA 44 -3.265 -10.593 -13.122 330 H SER 45 H SER 45 0.196 -10.611 -11.529 331 HA SER 45 HA SER 45 0.719 -13.425 -12.056 332 1HB SER 45 2HB SER 45 1.484 -11.552 -13.712 333 2HB SER 45 1HB SER 45 2.577 -11.701 -13.120 334 HG SER 45 HG SER 45 2.301 -12.999 -14.094 335 H LYS 46 H LYS 46 1.014 -11.132 -9.740 336 HA LYS 46 HA LYS 46 2.973 -12.638 -8.330 337 1HB LYS 46 2HB LYS 46 4.062 -10.767 -9.928 338 2HB LYS 46 1HB LYS 46 3.818 -9.839 -8.479 339 1HG LYS 46 2HG LYS 46 4.959 -12.089 -7.700 340 2HG LYS 46 1HG LYS 46 5.740 -11.755 -8.938 341 1HD LYS 46 2HD LYS 46 5.982 -9.845 -7.930 342 2HD LYS 46 1HD LYS 46 5.665 -10.442 -6.859 343 1HE LYS 46 2HE LYS 46 7.463 -11.090 -6.974 344 2HE LYS 46 1HE LYS 46 7.544 -11.199 -7.637 345 1HZ LYS 46 1HZ LYS 46 7.896 -10.055 -7.144 346 2HZ LYS 46 2HZ LYS 46 8.149 -10.319 -7.525 347 3HZ LYS 46 3HZ LYS 46 8.253 -10.461 -7.043 348 H THR 47 H THR 47 3.303 -11.848 -6.125 349 HA THR 47 HA THR 47 1.321 -9.958 -5.211 350 HB THR 47 HB THR 47 1.674 -12.714 -4.086 351 HG1 THR 47 1HG THR 47 -0.186 -12.323 -5.380 352 1HG2 THR 47 1HG2 THR 47 0.300 -11.329 -2.672 353 2HG2 THR 47 2HG2 THR 47 0.326 -11.246 -2.663 354 3HG2 THR 47 3HG2 THR 47 0.372 -11.311 -2.629 355 HA PRO 48 HA PRO 48 5.047 -8.825 -2.972 356 1HB PRO 48 2HB PRO 48 4.192 -6.432 -2.096 357 2HB PRO 48 1HB PRO 48 4.706 -6.693 -3.764 358 1HG PRO 48 2HG PRO 48 1.956 -6.566 -2.636 359 2HG PRO 48 1HG PRO 48 2.577 -5.885 -4.140 360 1HD PRO 48 2HD PRO 48 1.166 -8.201 -4.010 361 2HD PRO 48 1HD PRO 48 2.339 -7.846 -5.274 362 H ASP 49 H ASP 49 5.581 -8.471 -0.729 363 HA ASP 49 HA ASP 49 3.826 -9.876 1.030 364 1HB ASP 49 2HB ASP 49 6.410 -8.516 1.545 365 2HB ASP 49 1HB ASP 49 5.622 -9.382 2.683 366 H VAL 50 H VAL 50 4.469 -6.541 0.349 367 HA VAL 50 HA VAL 50 2.368 -5.771 2.213 368 HB VAL 50 HB VAL 50 4.422 -5.504 3.486 369 1HG1 VAL 50 1HG1 VAL 50 5.761 -4.306 1.785 370 2HG1 VAL 50 2HG1 VAL 50 5.856 -4.410 1.905 371 3HG1 VAL 50 3HG1 VAL 50 5.812 -4.236 1.948 372 1HG2 VAL 50 1HG2 VAL 50 3.373 -3.217 3.342 373 2HG2 VAL 50 2HG2 VAL 50 3.527 -3.279 3.610 374 3HG2 VAL 50 3HG2 VAL 50 3.248 -3.413 3.555 375 H LEU 51 H LEU 51 1.304 -4.192 1.215 376 HA LEU 51 HA LEU 51 2.165 -2.829 -1.142 377 1HB LEU 51 2HB LEU 51 0.368 -4.589 -1.428 378 2HB LEU 51 1HB LEU 51 -0.700 -3.514 -0.582 379 HG LEU 51 HG LEU 51 -0.369 -1.832 -2.331 380 1HD1 LEU 51 1HD1 LEU 51 1.321 -2.860 -3.690 381 2HD1 LEU 51 2HD1 LEU 51 1.169 -2.963 -3.814 382 3HD1 LEU 51 3HD1 LEU 51 1.269 -3.074 -3.651 383 1HD2 LEU 51 1HD2 LEU 51 -1.681 -3.717 -3.265 384 2HD2 LEU 51 2HD2 LEU 51 -1.683 -3.550 -3.372 385 3HD2 LEU 51 3HD2 LEU 51 -1.803 -3.568 -3.210 386 H LEU 52 H LEU 52 1.967 -0.682 -1.248 387 HA LEU 52 HA LEU 52 0.551 0.725 0.908 388 1HB LEU 52 2HB LEU 52 3.230 0.786 0.405 389 2HB LEU 52 1HB LEU 52 2.686 2.162 -0.459 390 HG LEU 52 HG LEU 52 2.112 1.734 2.418 391 1HD1 LEU 52 1HD1 LEU 52 4.150 2.947 2.175 392 2HD1 LEU 52 2HD1 LEU 52 4.255 2.898 1.799 393 3HD1 LEU 52 3HD1 LEU 52 4.313 2.606 2.058 394 1HD2 LEU 52 1HD2 LEU 52 1.548 3.879 1.481 395 2HD2 LEU 52 2HD2 LEU 52 1.312 3.796 1.580 396 3HD2 LEU 52 3HD2 LEU 52 1.365 3.786 1.318 397 H SER 53 H SER 53 -1.112 1.917 0.194 398 HA SER 53 HA SER 53 -1.078 2.809 -2.599 399 1HB SER 53 2HB SER 53 -3.091 1.543 -1.176 400 2HB SER 53 1HB SER 53 -3.648 2.739 -1.833 401 HG SER 53 HG SER 53 -3.064 1.464 -3.161 402 H ASP 54 H ASP 54 -1.448 4.859 -3.092 403 HA ASP 54 HA ASP 54 -1.374 6.772 -0.979 404 1HB ASP 54 2HB ASP 54 -0.568 7.422 -3.104 405 2HB ASP 54 1HB ASP 54 -1.097 7.390 -3.548 406 H ILE 55 H ILE 55 -3.647 6.826 -1.942 407 HA ILE 55 HA ILE 55 -5.956 6.769 -2.532 408 HB ILE 55 HB ILE 55 -5.957 6.226 -0.221 409 1HG1 ILE 55 2HG1 ILE 55 -7.566 8.466 -0.486 410 2HG1 ILE 55 1HG1 ILE 55 -7.923 7.391 -0.990 411 1HG2 ILE 55 1HG2 ILE 55 -5.071 8.286 0.743 412 2HG2 ILE 55 2HG2 ILE 55 -4.930 8.138 0.739 413 3HG2 ILE 55 3HG2 ILE 55 -5.067 8.151 0.900 414 1HD1 ILE 55 1HD1 ILE 55 -8.228 7.539 0.942 415 2HD1 ILE 55 2HD1 ILE 55 -8.361 7.312 0.694 416 3HD1 ILE 55 3HD1 ILE 55 -8.371 7.471 0.517 417 H ARG 56 H ARG 56 -6.032 8.375 -3.869 418 HA ARG 56 HA ARG 56 -6.567 10.931 -3.399 419 1HB ARG 56 2HB ARG 56 -4.825 11.180 -4.308 420 2HB ARG 56 1HB ARG 56 -4.913 10.982 -4.374 421 1HG ARG 56 2HG ARG 56 -4.461 11.219 -4.501 422 2HG ARG 56 1HG ARG 56 -4.576 11.517 -4.740 423 1HD ARG 56 2HD ARG 56 -3.864 12.339 -4.579 424 2HD ARG 56 1HD ARG 56 -3.534 12.176 -4.603 425 HE ARG 56 HE ARG 56 -3.040 12.844 -5.180 426 1HH1 ARG 56 1HH1 ARG 56 -3.527 12.932 -4.682 427 2HH1 ARG 56 2HH1 ARG 56 -2.949 13.716 -4.992 428 1HH2 ARG 56 1HH2 ARG 56 -2.284 13.874 -5.587 429 2HH2 ARG 56 2HH2 ARG 56 -2.246 14.250 -5.505 430 H MET 57 H MET 57 -8.054 9.495 -4.282 431 HA MET 57 HA MET 57 -9.206 9.886 -5.697 432 1HB MET 57 2HB MET 57 -8.263 11.125 -5.611 433 2HB MET 57 1HB MET 57 -8.434 10.772 -6.644 434 1HG MET 57 2HG MET 57 -9.237 10.807 -6.927 435 2HG MET 57 1HG MET 57 -9.410 11.065 -6.344 436 1HE MET 57 1HE MET 57 -10.067 12.760 -7.015 437 2HE MET 57 2HE MET 57 -10.043 12.776 -7.392 438 3HE MET 57 3HE MET 57 -9.882 13.038 -7.182 439 HA PRO 58 HA PRO 58 -8.441 7.648 -8.987 440 1HB PRO 58 2HB PRO 58 -8.649 5.250 -8.022 441 2HB PRO 58 1HB PRO 58 -7.251 5.965 -8.075 442 1HG PRO 58 2HG PRO 58 -8.824 5.565 -5.946 443 2HG PRO 58 1HG PRO 58 -7.236 5.416 -5.937 444 1HD PRO 58 2HD PRO 58 -8.426 7.373 -5.223 445 2HD PRO 58 1HD PRO 58 -7.086 7.469 -5.909 446 H GLY 59 H GLY 59 -10.452 5.518 -7.773 447 1HA GLY 59 2HA GLY 59 -12.459 6.440 -9.141 448 2HA GLY 59 1HA GLY 59 -12.306 4.846 -8.552 449 H MET 60 H MET 60 -12.170 5.181 -6.126 450 HA MET 60 HA MET 60 -14.281 6.503 -5.070 451 1HB MET 60 2HB MET 60 -14.306 3.913 -5.199 452 2HB MET 60 1HB MET 60 -13.329 4.006 -3.854 453 1HG MET 60 2HG MET 60 -15.194 4.189 -2.813 454 2HG MET 60 1HG MET 60 -15.349 5.422 -3.325 455 1HE MET 60 1HE MET 60 -17.329 3.852 -3.309 456 2HE MET 60 2HE MET 60 -17.431 3.945 -3.423 457 3HE MET 60 3HE MET 60 -17.395 4.062 -3.574 458 H ASP 61 H ASP 61 -12.428 8.049 -5.001 459 HA ASP 61 HA ASP 61 -11.147 9.316 -3.780 460 1HB ASP 61 2HB ASP 61 -12.654 8.073 -1.936 461 2HB ASP 61 1HB ASP 61 -11.350 8.319 -1.325 462 H GLY 62 H GLY 62 -10.613 6.151 -2.967 463 1HA GLY 62 2HA GLY 62 -8.136 5.688 -3.723 464 2HA GLY 62 1HA GLY 62 -8.030 6.275 -2.087 465 H LEU 63 H LEU 63 -10.538 5.046 -1.313 466 HA LEU 63 HA LEU 63 -9.524 2.574 -0.482 467 1HB LEU 63 2HB LEU 63 -12.387 3.356 -0.408 468 2HB LEU 63 1HB LEU 63 -11.595 2.251 0.589 469 HG LEU 63 HG LEU 63 -10.284 4.359 1.197 470 1HD1 LEU 63 1HD1 LEU 63 -11.937 5.766 0.596 471 2HD1 LEU 63 2HD1 LEU 63 -12.086 5.727 0.612 472 3HD1 LEU 63 3HD1 LEU 63 -11.959 5.765 0.471 473 1HD2 LEU 63 1HD2 LEU 63 -11.948 3.828 2.772 474 2HD2 LEU 63 2HD2 LEU 63 -11.989 3.743 2.779 475 3HD2 LEU 63 3HD2 LEU 63 -12.002 3.806 2.699 476 H ALA 64 H ALA 64 -11.125 3.605 -3.302 477 HA ALA 64 HA ALA 64 -12.514 1.354 -4.114 478 1HB ALA 64 1HB ALA 64 -11.657 2.743 -6.063 479 2HB ALA 64 2HB ALA 64 -11.733 3.214 -5.663 480 3HB ALA 64 3HB ALA 64 -12.214 2.853 -5.813 481 H LEU 65 H LEU 65 -9.098 2.057 -4.241 482 HA LEU 65 HA LEU 65 -8.244 -0.047 -5.838 483 1HB LEU 65 2HB LEU 65 -6.706 1.226 -4.260 484 2HB LEU 65 1HB LEU 65 -6.464 0.809 -4.471 485 HG LEU 65 HG LEU 65 -6.546 1.479 -4.871 486 1HD1 LEU 65 1HD1 LEU 65 -5.874 1.641 -4.761 487 2HD1 LEU 65 2HD1 LEU 65 -5.566 1.498 -4.741 488 3HD1 LEU 65 3HD1 LEU 65 -5.689 1.483 -4.852 489 1HD2 LEU 65 1HD2 LEU 65 -5.363 2.134 -5.318 490 2HD2 LEU 65 2HD2 LEU 65 -5.512 1.875 -5.088 491 3HD2 LEU 65 3HD2 LEU 65 -5.690 1.857 -4.891 492 H LEU 66 H LEU 66 -8.729 0.112 -2.363 493 HA LEU 66 HA LEU 66 -7.770 -2.383 -1.662 494 1HB LEU 66 2HB LEU 66 -10.000 -0.800 -0.461 495 2HB LEU 66 1HB LEU 66 -9.324 -2.188 0.265 496 HG LEU 66 HG LEU 66 -7.796 -0.167 0.085 497 1HD1 LEU 66 1HD1 LEU 66 -8.257 0.060 0.890 498 2HD1 LEU 66 2HD1 LEU 66 -8.266 0.056 1.135 499 3HD1 LEU 66 3HD1 LEU 66 -8.189 0.296 1.040 500 1HD2 LEU 66 1HD2 LEU 66 -7.355 -0.750 1.053 501 2HD2 LEU 66 2HD2 LEU 66 -7.013 -0.455 0.950 502 3HD2 LEU 66 3HD2 LEU 66 -7.211 -0.787 0.740 503 H LYS 67 H LYS 67 -11.000 -1.417 -2.682 504 HA LYS 67 HA LYS 67 -12.326 -3.817 -2.382 505 1HB LYS 67 2HB LYS 67 -12.878 -1.566 -3.842 506 2HB LYS 67 1HB LYS 67 -13.329 -2.598 -4.541 507 1HG LYS 67 2HG LYS 67 -14.278 -2.781 -2.984 508 2HG LYS 67 1HG LYS 67 -14.047 -2.081 -2.795 509 1HD LYS 67 2HD LYS 67 -14.982 -1.539 -3.440 510 2HD LYS 67 1HD LYS 67 -15.376 -2.146 -3.744 511 1HE LYS 67 2HE LYS 67 -16.192 -1.940 -2.832 512 2HE LYS 67 1HE LYS 67 -15.958 -1.491 -3.010 513 1HZ LYS 67 1HZ LYS 67 -16.954 -1.965 -2.973 514 2HZ LYS 67 2HZ LYS 67 -17.070 -1.902 -3.277 515 3HZ LYS 67 3HZ LYS 67 -16.841 -1.759 -3.024 516 H GLN 68 H GLN 68 -10.509 -2.660 -5.200 517 HA GLN 68 HA GLN 68 -10.913 -4.969 -6.766 518 1HB GLN 68 2HB GLN 68 -8.639 -3.017 -6.920 519 2HB GLN 68 1HB GLN 68 -9.136 -4.109 -8.170 520 1HG GLN 68 2HG GLN 68 -10.731 -2.014 -7.384 521 2HG GLN 68 1HG GLN 68 -10.049 -1.930 -8.382 522 1HE2 GLN 68 1HE2 GLN 68 -11.208 -2.240 -8.843 523 2HE2 GLN 68 2HE2 GLN 68 -12.176 -2.664 -9.391 524 H ILE 69 H ILE 69 -8.503 -4.072 -4.408 525 HA ILE 69 HA ILE 69 -6.608 -6.043 -4.939 526 HB ILE 69 HB ILE 69 -7.264 -4.661 -2.363 527 1HG1 ILE 69 2HG1 ILE 69 -5.124 -4.068 -4.229 528 2HG1 ILE 69 1HG1 ILE 69 -6.365 -3.296 -4.186 529 1HG2 ILE 69 1HG2 ILE 69 -5.351 -6.135 -2.142 530 2HG2 ILE 69 2HG2 ILE 69 -5.346 -6.105 -2.189 531 3HG2 ILE 69 3HG2 ILE 69 -5.351 -6.159 -2.181 532 1HD1 ILE 69 1HD1 ILE 69 -5.130 -2.901 -2.624 533 2HD1 ILE 69 2HD1 ILE 69 -5.184 -2.783 -2.582 534 3HD1 ILE 69 3HD1 ILE 69 -5.129 -2.752 -2.695 535 H LYS 70 H LYS 70 -9.401 -6.089 -2.860 536 HA LYS 70 HA LYS 70 -8.893 -8.648 -1.785 537 1HB LYS 70 2HB LYS 70 -11.090 -8.507 -0.824 538 2HB LYS 70 1HB LYS 70 -10.288 -6.960 -0.666 539 1HG LYS 70 2HG LYS 70 -11.789 -6.040 -2.064 540 2HG LYS 70 1HG LYS 70 -12.001 -7.264 -2.915 541 1HD LYS 70 2HD LYS 70 -13.140 -7.773 -1.363 542 2HD LYS 70 1HD LYS 70 -13.078 -6.952 -0.891 543 1HE LYS 70 2HE LYS 70 -14.435 -6.561 -1.681 544 2HE LYS 70 1HE LYS 70 -14.000 -6.845 -1.989 545 1HZ LYS 70 1HZ LYS 70 -15.390 -7.089 -1.655 546 2HZ LYS 70 2HZ LYS 70 -15.171 -6.848 -1.903 547 3HZ LYS 70 3HZ LYS 70 -15.114 -6.867 -1.587 548 H GLN 71 H GLN 71 -10.489 -7.516 -4.619 549 HA GLN 71 HA GLN 71 -11.929 -9.879 -5.137 550 1HB GLN 71 2HB GLN 71 -11.836 -7.635 -6.414 551 2HB GLN 71 1HB GLN 71 -11.649 -8.337 -7.262 552 1HG GLN 71 2HG GLN 71 -13.186 -9.152 -7.210 553 2HG GLN 71 1HG GLN 71 -13.414 -8.384 -6.190 554 1HE2 GLN 71 1HE2 GLN 71 -11.860 -6.323 -6.297 555 2HE2 GLN 71 2HE2 GLN 71 -12.493 -5.406 -7.487 556 H ARG 72 H ARG 72 -8.841 -8.700 -6.114 557 HA ARG 72 HA ARG 72 -8.390 -11.060 -7.706 558 1HB ARG 72 2HB ARG 72 -6.998 -8.500 -7.482 559 2HB ARG 72 1HB ARG 72 -6.225 -9.813 -8.202 560 1HG ARG 72 2HG ARG 72 -8.068 -9.649 -9.616 561 2HG ARG 72 1HG ARG 72 -8.406 -8.663 -9.211 562 1HD ARG 72 2HD ARG 72 -7.221 -7.995 -9.898 563 2HD ARG 72 1HD ARG 72 -6.688 -8.772 -10.057 564 HE ARG 72 HE ARG 72 -7.886 -8.375 -11.067 565 1HH1 ARG 72 1HH1 ARG 72 -7.543 -9.077 -11.338 566 2HH1 ARG 72 2HH1 ARG 72 -8.023 -9.231 -12.672 567 1HH2 ARG 72 1HH2 ARG 72 -8.516 -8.579 -12.819 568 2HH2 ARG 72 2HH2 ARG 72 -8.575 -8.950 -13.512 569 H HIS 73 H HIS 73 -7.011 -9.496 -4.975 570 HA HIS 73 HA HIS 73 -5.350 -11.736 -4.469 571 1HB HIS 73 2HB HIS 73 -4.735 -9.660 -3.002 572 2HB HIS 73 1HB HIS 73 -3.893 -10.286 -3.766 573 HD1 HIS 73 1HD HIS 73 -3.876 -9.676 -4.432 574 HD2 HIS 73 2HD HIS 73 -5.127 -7.723 -4.981 575 HE1 HIS 73 1HE HIS 73 -3.841 -7.922 -5.636 576 HE2 HIS 73 2HE HIS 73 -4.631 -6.765 -5.935 577 HA PRO 74 HA PRO 74 -7.643 -12.569 -1.169 578 1HB PRO 74 2HB PRO 74 -6.212 -13.872 0.014 579 2HB PRO 74 1HB PRO 74 -7.025 -14.246 -1.165 580 1HG PRO 74 2HG PRO 74 -4.836 -14.034 -1.320 581 2HG PRO 74 1HG PRO 74 -5.721 -14.534 -2.347 582 1HD PRO 74 2HD PRO 74 -4.583 -12.568 -2.571 583 2HD PRO 74 1HD PRO 74 -5.456 -13.019 -3.655 584 H MET 75 H MET 75 -5.337 -11.714 0.088 585 HA MET 75 HA MET 75 -6.180 -10.495 1.956 586 1HB MET 75 2HB MET 75 -4.749 -12.554 2.430 587 2HB MET 75 1HB MET 75 -4.986 -11.694 3.366 588 1HG MET 75 2HG MET 75 -6.844 -12.295 3.202 589 2HG MET 75 1HG MET 75 -6.720 -13.012 2.454 590 1HE MET 75 1HE MET 75 -7.061 -14.621 3.888 591 2HE MET 75 2HE MET 75 -7.169 -14.817 3.902 592 3HE MET 75 3HE MET 75 -7.180 -14.916 3.941 593 H LEU 76 H LEU 76 -4.472 -9.714 -0.168 594 HA LEU 76 HA LEU 76 -1.870 -9.333 0.699 595 1HB LEU 76 2HB LEU 76 -2.933 -9.076 -1.624 596 2HB LEU 76 1HB LEU 76 -3.163 -7.470 -1.166 597 HG LEU 76 HG LEU 76 -1.023 -8.071 -1.489 598 1HD1 LEU 76 1HD1 LEU 76 -0.437 -7.767 -2.042 599 2HD1 LEU 76 2HD1 LEU 76 -0.698 -7.657 -1.783 600 3HD1 LEU 76 3HD1 LEU 76 -0.713 -7.799 -1.905 601 1HD2 LEU 76 1HD2 LEU 76 -0.507 -7.543 -1.531 602 2HD2 LEU 76 2HD2 LEU 76 -0.528 -7.722 -1.664 603 3HD2 LEU 76 3HD2 LEU 76 -0.429 -7.655 -1.432 604 HA PRO 77 HA PRO 77 -2.710 -6.163 3.745 605 1HB PRO 77 2HB PRO 77 0.046 -5.780 3.968 606 2HB PRO 77 1HB PRO 77 -0.905 -6.567 5.013 607 1HG PRO 77 2HG PRO 77 0.757 -7.563 3.441 608 2HG PRO 77 1HG PRO 77 -0.185 -8.274 4.338 609 1HD PRO 77 2HD PRO 77 -0.094 -8.304 1.686 610 2HD PRO 77 1HD PRO 77 -1.073 -9.227 2.695 611 H VAL 78 H VAL 78 -3.244 -4.165 3.238 612 HA VAL 78 HA VAL 78 -1.597 -2.652 1.360 613 HB VAL 78 HB VAL 78 -4.509 -2.131 1.785 614 1HG1 VAL 78 1HG1 VAL 78 -3.299 -0.932 0.023 615 2HG1 VAL 78 2HG1 VAL 78 -3.479 -0.910 0.011 616 3HG1 VAL 78 3HG1 VAL 78 -3.395 -1.029 -0.099 617 1HG2 VAL 78 1HG2 VAL 78 -4.360 -3.814 0.062 618 2HG2 VAL 78 2HG2 VAL 78 -4.234 -4.044 0.383 619 3HG2 VAL 78 3HG2 VAL 78 -3.968 -3.948 0.078 620 H ILE 79 H ILE 79 -1.187 -0.506 1.801 621 HA ILE 79 HA ILE 79 -2.061 0.481 4.425 622 HB ILE 79 HB ILE 79 0.633 1.059 3.228 623 1HG1 ILE 79 2HG1 ILE 79 0.745 -0.588 5.575 624 2HG1 ILE 79 1HG1 ILE 79 -0.219 -1.369 4.356 625 1HG2 ILE 79 1HG2 ILE 79 0.055 2.119 5.314 626 2HG2 ILE 79 2HG2 ILE 79 0.367 2.000 5.401 627 3HG2 ILE 79 3HG2 ILE 79 0.085 1.874 5.554 628 1HD1 ILE 79 1HD1 ILE 79 2.070 -1.292 3.674 629 2HD1 ILE 79 2HD1 ILE 79 2.093 -1.150 3.765 630 3HD1 ILE 79 3HD1 ILE 79 2.074 -1.148 3.597 631 H ILE 80 H ILE 80 -3.362 2.151 4.100 632 HA ILE 80 HA ILE 80 -2.961 3.845 1.756 633 HB ILE 80 HB ILE 80 -5.292 3.967 3.639 634 1HG1 ILE 80 2HG1 ILE 80 -5.229 1.776 2.692 635 2HG1 ILE 80 1HG1 ILE 80 -6.279 2.427 2.005 636 1HG2 ILE 80 1HG2 ILE 80 -5.337 5.259 1.569 637 2HG2 ILE 80 2HG2 ILE 80 -5.574 5.213 1.618 638 3HG2 ILE 80 3HG2 ILE 80 -5.462 5.100 1.429 639 1HD1 ILE 80 1HD1 ILE 80 -4.771 2.190 0.846 640 2HD1 ILE 80 2HD1 ILE 80 -4.914 1.827 0.651 641 3HD1 ILE 80 3HD1 ILE 80 -4.820 1.770 0.820 642 H MET 81 H MET 81 -2.611 6.016 1.852 643 HA MET 81 HA MET 81 -1.335 7.007 4.197 644 1HB MET 81 2HB MET 81 -0.854 8.739 2.690 645 2HB MET 81 1HB MET 81 -0.924 7.746 1.933 646 1HG MET 81 2HG MET 81 -2.132 8.413 1.209 647 2HG MET 81 1HG MET 81 -2.508 8.881 2.051 648 1HE MET 81 1HE MET 81 -1.792 11.292 0.973 649 2HE MET 81 2HE MET 81 -1.757 11.395 0.743 650 3HE MET 81 3HE MET 81 -1.596 11.201 0.721 651 H THR 82 H THR 82 -4.411 7.740 2.738 652 HA THR 82 HA THR 82 -5.231 9.043 5.158 653 HB THR 82 HB THR 82 -5.988 10.082 2.477 654 HG1 THR 82 1HG THR 82 -4.150 11.178 3.130 655 1HG2 THR 82 1HG2 THR 82 -6.723 11.265 4.456 656 2HG2 THR 82 2HG2 THR 82 -6.810 11.387 4.204 657 3HG2 THR 82 3HG2 THR 82 -6.583 11.501 4.355 658 H ALA 83 H ALA 83 -7.521 9.059 5.533 659 HA ALA 83 HA ALA 83 -8.955 6.990 4.093 660 1HB ALA 83 1HB ALA 83 -9.176 6.775 6.439 661 2HB ALA 83 2HB ALA 83 -9.296 6.750 6.384 662 3HB ALA 83 3HB ALA 83 -9.273 6.854 6.463 663 H HIS 84 H HIS 84 -9.296 9.803 3.952 664 HA HIS 84 HA HIS 84 -11.075 11.224 4.558 665 1HB HIS 84 2HB HIS 84 -11.118 11.268 2.541 666 2HB HIS 84 1HB HIS 84 -10.776 11.817 2.906 667 HD1 HIS 84 1HD HIS 84 -9.833 11.977 2.528 668 HD2 HIS 84 2HD HIS 84 -9.348 11.109 1.106 669 HE1 HIS 84 1HE HIS 84 -8.386 12.109 1.135 670 HE2 HIS 84 2HE HIS 84 -8.104 11.563 0.281 671 H SER 85 H SER 85 -13.037 10.840 3.269 672 HA SER 85 HA SER 85 -14.842 10.308 3.860 673 1HB SER 85 2HB SER 85 -14.696 11.028 2.148 674 2HB SER 85 1HB SER 85 -15.081 10.544 2.148 675 HG SER 85 HG SER 85 -15.448 11.101 2.308 676 H ASP 86 H ASP 86 -14.924 8.208 2.933 677 HA ASP 86 HA ASP 86 -16.523 6.862 2.928 678 1HB ASP 86 2HB ASP 86 -15.217 7.051 0.998 679 2HB ASP 86 1HB ASP 86 -15.197 5.881 1.191 680 H LEU 87 H LEU 87 -14.847 6.773 5.044 681 HA LEU 87 HA LEU 87 -12.897 4.899 5.122 682 1HB LEU 87 2HB LEU 87 -14.359 6.352 6.974 683 2HB LEU 87 1HB LEU 87 -14.452 4.769 7.470 684 HG LEU 87 HG LEU 87 -12.351 6.159 7.552 685 1HD1 LEU 87 1HD1 LEU 87 -12.548 5.431 8.683 686 2HD1 LEU 87 2HD1 LEU 87 -12.440 5.384 8.721 687 3HD1 LEU 87 3HD1 LEU 87 -12.465 5.221 8.763 688 1HD2 LEU 87 1HD2 LEU 87 -11.551 5.074 6.859 689 2HD2 LEU 87 2HD2 LEU 87 -11.741 4.652 7.274 690 3HD2 LEU 87 3HD2 LEU 87 -11.066 5.100 7.568 691 H ASP 88 H ASP 88 -16.231 4.369 4.765 692 HA ASP 88 HA ASP 88 -16.659 1.929 5.819 693 1HB ASP 88 2HB ASP 88 -17.842 3.100 3.660 694 2HB ASP 88 1HB ASP 88 -18.099 1.945 3.683 695 H ALA 89 H ALA 89 -15.287 2.544 2.613 696 HA ALA 89 HA ALA 89 -14.925 -0.170 1.974 697 1HB ALA 89 1HB ALA 89 -14.167 1.400 0.348 698 2HB ALA 89 2HB ALA 89 -13.888 1.365 0.386 699 3HB ALA 89 3HB ALA 89 -14.022 1.584 0.523 700 H ALA 90 H ALA 90 -13.164 2.000 3.937 701 HA ALA 90 HA ALA 90 -10.642 0.739 3.754 702 1HB ALA 90 1HB ALA 90 -10.755 2.423 5.474 703 2HB ALA 90 2HB ALA 90 -11.039 2.509 5.514 704 3HB ALA 90 3HB ALA 90 -10.897 2.573 5.256 705 H VAL 91 H VAL 91 -13.354 0.446 5.935 706 HA VAL 91 HA VAL 91 -12.140 -1.301 7.712 707 HB VAL 91 HB VAL 91 -15.036 -1.359 7.134 708 1HG1 VAL 91 1HG1 VAL 91 -14.208 -2.101 9.330 709 2HG1 VAL 91 2HG1 VAL 91 -14.143 -2.349 9.138 710 3HG1 VAL 91 3HG1 VAL 91 -14.443 -2.302 9.235 711 1HG2 VAL 91 1HG2 VAL 91 -14.433 0.633 8.510 712 2HG2 VAL 91 2HG2 VAL 91 -14.591 0.683 8.178 713 3HG2 VAL 91 3HG2 VAL 91 -14.226 0.728 8.218 714 H SER 92 H SER 92 -14.100 -1.940 4.914 715 HA SER 92 HA SER 92 -14.092 -4.733 5.136 716 1HB SER 92 2HB SER 92 -14.416 -3.754 2.741 717 2HB SER 92 1HB SER 92 -15.041 -4.268 3.152 718 HG SER 92 HG SER 92 -15.434 -3.162 3.170 719 H ALA 93 H ALA 93 -11.745 -2.510 4.112 720 HA ALA 93 HA ALA 93 -10.175 -4.200 2.585 721 1HB ALA 93 1HB ALA 93 -9.406 -1.984 3.084 722 2HB ALA 93 2HB ALA 93 -9.092 -2.148 3.124 723 3HB ALA 93 3HB ALA 93 -9.263 -2.020 3.411 724 H TYR 94 H TYR 94 -10.058 -3.334 5.915 725 HA TYR 94 HA TYR 94 -7.841 -4.820 6.617 726 1HB TYR 94 2HB TYR 94 -10.061 -4.444 8.398 727 2HB TYR 94 1HB TYR 94 -8.519 -4.484 8.789 728 HD1 TYR 94 1HD TYR 94 -9.507 -2.596 8.206 729 HD2 TYR 94 2HD TYR 94 -8.730 -2.559 8.166 730 HE1 TYR 94 1HE TYR 94 -9.428 -0.263 8.318 731 HE2 TYR 94 2HE TYR 94 -8.651 -0.226 8.277 732 HH TYR 94 HH TYR 94 -9.140 1.477 8.513 733 H GLN 95 H GLN 95 -11.025 -5.735 6.055 734 HA GLN 95 HA GLN 95 -10.881 -8.296 7.252 735 1HB GLN 95 2HB GLN 95 -13.024 -8.148 6.787 736 2HB GLN 95 1HB GLN 95 -12.816 -6.905 6.229 737 1HG GLN 95 2HG GLN 95 -12.894 -8.273 5.081 738 2HG GLN 95 1HG GLN 95 -13.332 -8.342 5.211 739 1HE2 GLN 95 1HE2 GLN 95 -13.416 -7.009 3.192 740 2HE2 GLN 95 2HE2 GLN 95 -14.139 -7.404 2.578 741 H GLN 96 H GLN 96 -10.454 -7.065 4.092 742 HA GLN 96 HA GLN 96 -10.044 -9.670 3.039 743 1HB GLN 96 2HB GLN 96 -9.753 -8.477 1.115 744 2HB GLN 96 1HB GLN 96 -10.961 -7.964 1.732 745 1HG GLN 96 2HG GLN 96 -9.879 -6.247 1.875 746 2HG GLN 96 1HG GLN 96 -9.244 -6.621 1.864 747 1HE2 GLN 96 1HE2 GLN 96 -9.225 -5.273 0.854 748 2HE2 GLN 96 2HE2 GLN 96 -9.280 -5.352 0.285 749 H GLY 97 H GLY 97 -8.170 -7.447 4.601 750 1HA GLY 97 2HA GLY 97 -6.095 -8.474 5.074 751 2HA GLY 97 1HA GLY 97 -5.924 -8.547 3.460 752 H ALA 98 H ALA 98 -6.718 -5.954 4.588 753 HA ALA 98 HA ALA 98 -4.740 -4.343 3.763 754 1HB ALA 98 1HB ALA 98 -6.774 -3.174 4.291 755 2HB ALA 98 2HB ALA 98 -6.661 -3.034 4.308 756 3HB ALA 98 3HB ALA 98 -6.739 -3.101 4.459 757 H PHE 99 H PHE 99 -3.325 -3.124 4.996 758 HA PHE 99 HA PHE 99 -2.750 -4.214 7.543 759 1HB PHE 99 2HB PHE 99 -1.047 -3.467 5.869 760 2HB PHE 99 1HB PHE 99 -1.425 -1.826 6.309 761 HD1 PHE 99 1HD PHE 99 -0.817 -4.941 8.096 762 HD2 PHE 99 2HD PHE 99 0.117 -0.909 7.697 763 HE1 PHE 99 1HE PHE 99 0.734 -5.075 9.943 764 HE2 PHE 99 2HE PHE 99 1.673 -1.036 9.543 765 HZ PHE 99 HZ PHE 99 1.983 -3.119 10.668 766 H ASP 100 H ASP 100 -3.562 -0.932 6.424 767 HA ASP 100 HA ASP 100 -5.375 -0.310 8.394 768 1HB ASP 100 2HB ASP 100 -3.231 -0.043 9.701 769 2HB ASP 100 1HB ASP 100 -3.235 0.636 9.562 770 H TYR 101 H TYR 101 -4.916 2.314 8.977 771 HA TYR 101 HA TYR 101 -4.486 3.625 6.393 772 1HB TYR 101 2HB TYR 101 -6.926 3.567 8.047 773 2HB TYR 101 1HB TYR 101 -6.455 5.153 7.460 774 HD1 TYR 101 1HD TYR 101 -7.264 1.718 6.357 775 HD2 TYR 101 2HD TYR 101 -6.878 5.787 5.250 776 HE1 TYR 101 1HE TYR 101 -8.302 1.231 4.185 777 HE2 TYR 101 2HE TYR 101 -7.914 5.310 3.078 778 HH TYR 101 HH TYR 101 -8.728 3.054 1.895 779 H LEU 102 H LEU 102 -3.864 5.838 6.532 780 HA LEU 102 HA LEU 102 -2.597 6.475 9.090 781 1HB LEU 102 2HB LEU 102 -1.738 6.695 6.454 782 2HB LEU 102 1HB LEU 102 -1.785 8.157 7.044 783 HG LEU 102 HG LEU 102 -0.313 7.634 8.570 784 1HD1 LEU 102 1HD1 LEU 102 -0.391 5.498 8.521 785 2HD1 LEU 102 2HD1 LEU 102 -0.012 5.509 8.624 786 3HD1 LEU 102 3HD1 LEU 102 -0.101 5.432 8.247 787 1HD2 LEU 102 1HD2 LEU 102 0.773 7.257 6.518 788 2HD2 LEU 102 2HD2 LEU 102 0.853 7.348 6.724 789 3HD2 LEU 102 3HD2 LEU 102 0.754 7.468 6.550 790 HA PRO 103 HA PRO 103 -5.723 9.581 9.581 791 1HB PRO 103 2HB PRO 103 -4.479 10.679 11.748 792 2HB PRO 103 1HB PRO 103 -5.618 9.468 11.794 793 1HG PRO 103 2HG PRO 103 -2.971 9.287 12.216 794 2HG PRO 103 1HG PRO 103 -4.100 8.220 12.537 795 1HD PRO 103 2HD PRO 103 -2.215 8.023 10.692 796 2HD PRO 103 1HD PRO 103 -3.525 6.965 10.929 797 H LYS 104 H LYS 104 -3.119 11.184 10.697 798 HA LYS 104 HA LYS 104 -3.343 13.183 8.685 799 1HB LYS 104 2HB LYS 104 -2.963 13.503 11.417 800 2HB LYS 104 1HB LYS 104 -2.003 14.266 10.695 801 1HG LYS 104 2HG LYS 104 -3.476 15.268 10.123 802 2HG LYS 104 1HG LYS 104 -4.182 14.634 10.272 803 1HD LYS 104 2HD LYS 104 -4.187 15.214 11.671 804 2HD LYS 104 1HD LYS 104 -3.599 15.366 11.598 805 1HE LYS 104 1HE LYS 104 -4.520 16.328 11.545 806 2HE LYS 104 2HE LYS 104 -4.703 16.500 11.693 807 1HZ LYS 104 1HZ LYS 104 -4.845 16.481 11.741 808 2HZ LYS 104 2HZ LYS 104 -4.873 16.927 11.797 809 3HZ LYS 104 3HZ LYS 104 -4.794 16.689 11.791 810 HA PRO 105 HA PRO 105 1.481 12.809 9.232 811 1HB PRO 105 2HB PRO 105 2.014 10.337 10.369 812 2HB PRO 105 1HB PRO 105 2.322 11.814 11.021 813 1HG PRO 105 2HG PRO 105 0.400 10.127 11.637 814 2HG PRO 105 1HG PRO 105 0.830 11.386 12.393 815 1HD PRO 105 2HD PRO 105 -1.442 11.037 11.274 816 2HD PRO 105 1HD PRO 105 -0.830 12.492 11.827 817 H PHE 106 H PHE 106 2.951 11.673 7.872 818 HA PHE 106 HA PHE 106 2.253 9.270 6.626 819 1HB PHE 106 2HB PHE 106 0.825 10.697 5.412 820 2HB PHE 106 1HB PHE 106 1.819 11.530 5.044 821 HD1 PHE 106 1HD PHE 106 1.552 10.459 3.967 822 HD2 PHE 106 2HD PHE 106 1.776 9.744 3.983 823 HE1 PHE 106 1HE PHE 106 1.572 9.530 2.122 824 HE2 PHE 106 2HE PHE 106 1.797 8.815 2.137 825 HZ PHE 106 HZ PHE 106 1.695 8.705 1.203 826 H ASP 107 H ASP 107 3.681 11.517 4.468 827 HA ASP 107 HA ASP 107 5.750 11.458 3.508 828 1HB ASP 107 2HB ASP 107 7.496 12.244 4.997 829 2HB ASP 107 1HB ASP 107 6.003 13.067 5.349 830 H ILE 108 H ILE 108 8.157 10.530 3.933 831 HA ILE 108 HA ILE 108 7.858 7.737 3.697 832 HB ILE 108 HB ILE 108 9.928 9.593 3.217 833 1HG1 ILE 108 2HG1 ILE 108 10.712 7.914 1.757 834 2HG1 ILE 108 1HG1 ILE 108 9.675 6.734 2.515 835 1HG2 ILE 108 1HG2 ILE 108 11.276 8.247 4.509 836 2HG2 ILE 108 2HG2 ILE 108 11.268 7.987 4.469 837 3HG2 ILE 108 3HG2 ILE 108 11.093 8.076 4.657 838 1HD1 ILE 108 1HD1 ILE 108 8.410 8.027 1.031 839 2HD1 ILE 108 2HD1 ILE 108 8.537 8.249 1.020 840 3HD1 ILE 108 3HD1 ILE 108 8.385 8.231 1.248 841 H ASP 109 H ASP 109 9.095 9.758 6.252 842 HA ASP 109 HA ASP 109 10.132 7.885 7.959 843 1HB ASP 109 2HB ASP 109 9.358 10.425 8.413 844 2HB ASP 109 1HB ASP 109 8.922 9.804 9.375 845 H GLU 110 H GLU 110 6.752 9.052 8.089 846 HA GLU 110 HA GLU 110 6.025 6.982 9.893 847 1HB GLU 110 2HB GLU 110 4.315 8.929 8.475 848 2HB GLU 110 1HB GLU 110 3.773 7.915 9.588 849 1HG GLU 110 2HG GLU 110 5.800 9.612 10.238 850 2HG GLU 110 1HG GLU 110 4.330 10.190 10.084 851 H ALA 111 H ALA 111 5.829 7.439 6.452 852 HA ALA 111 HA ALA 111 3.995 5.350 5.939 853 1HB ALA 111 1HB ALA 111 5.393 6.398 4.026 854 2HB ALA 111 2HB ALA 111 4.896 6.610 4.114 855 3HB ALA 111 3HB ALA 111 4.947 6.114 3.887 856 H VAL 112 H VAL 112 7.524 5.485 5.462 857 HA VAL 112 HA VAL 112 7.862 2.757 4.972 858 HB VAL 112 HB VAL 112 9.864 4.613 6.241 859 1HG1 VAL 112 1HG1 VAL 112 10.656 2.378 5.384 860 2HG1 VAL 112 2HG1 VAL 112 10.702 2.452 5.638 861 3HG1 VAL 112 3HG1 VAL 112 10.853 2.552 5.440 862 1HG2 VAL 112 1HG2 VAL 112 9.728 4.921 3.869 863 2HG2 VAL 112 2HG2 VAL 112 9.581 4.844 3.798 864 3HG2 VAL 112 3HG2 VAL 112 9.742 4.766 3.779 865 H ALA 113 H ALA 113 7.599 4.566 7.903 866 HA ALA 113 HA ALA 113 8.572 2.655 9.720 867 1HB ALA 113 1HB ALA 113 7.073 4.531 10.557 868 2HB ALA 113 2HB ALA 113 7.480 4.719 10.474 869 3HB ALA 113 3HB ALA 113 7.433 4.418 10.811 870 H LEU 114 H LEU 114 5.349 3.374 8.516 871 HA LEU 114 HA LEU 114 4.078 1.286 9.955 872 1HB LEU 114 2HB LEU 114 2.934 3.349 9.313 873 2HB LEU 114 1HB LEU 114 3.104 2.925 7.636 874 HG LEU 114 HG LEU 114 1.703 0.883 8.154 875 1HD1 LEU 114 1HD1 LEU 114 1.111 1.560 10.460 876 2HD1 LEU 114 2HD1 LEU 114 1.221 1.392 10.442 877 3HD1 LEU 114 3HD1 LEU 114 1.042 1.403 10.342 878 1HD2 LEU 114 1HD2 LEU 114 0.363 2.802 7.692 879 2HD2 LEU 114 2HD2 LEU 114 0.426 2.953 7.885 880 3HD2 LEU 114 3HD2 LEU 114 0.243 2.784 7.909 881 H VAL 115 H VAL 115 5.705 1.464 6.919 882 HA VAL 115 HA VAL 115 4.373 -0.824 5.819 883 HB VAL 115 HB VAL 115 5.434 1.029 4.434 884 1HG1 VAL 115 1HG1 VAL 115 7.746 0.459 4.840 885 2HG1 VAL 115 2HG1 VAL 115 7.771 0.440 4.675 886 3HG1 VAL 115 3HG1 VAL 115 7.772 0.307 4.778 887 1HG2 VAL 115 1HG2 VAL 115 5.362 -0.993 3.217 888 2HG2 VAL 115 2HG2 VAL 115 5.497 -1.280 3.442 889 3HG2 VAL 115 3HG2 VAL 115 5.739 -1.080 3.210 890 H GLU 116 H GLU 116 7.513 -0.220 7.310 891 HA GLU 116 HA GLU 116 8.529 -2.826 6.971 892 1HB GLU 116 2HB GLU 116 9.199 -0.664 8.955 893 2HB GLU 116 1HB GLU 116 10.086 -2.171 8.835 894 1HG GLU 116 2HG GLU 116 10.546 -1.572 6.498 895 2HG GLU 116 1HG GLU 116 9.867 -0.084 6.749 896 H ARG 117 H ARG 117 6.799 -1.292 9.645 897 HA ARG 117 HA ARG 117 6.920 -3.458 11.411 898 1HB ARG 117 2HB ARG 117 4.998 -1.792 11.794 899 2HB ARG 117 1HB ARG 117 5.520 -1.839 12.293 900 1HG ARG 117 2HG ARG 117 6.080 -0.861 11.614 901 2HG ARG 117 1HG ARG 117 5.317 -0.978 11.461 902 1HD ARG 117 2HD ARG 117 4.910 -0.343 12.813 903 2HD ARG 117 1HD ARG 117 4.901 -0.644 13.022 904 HE ARG 117 HE ARG 117 5.201 -0.225 13.596 905 1HH1 ARG 117 1HH1 ARG 117 4.599 0.117 13.919 906 2HH1 ARG 117 2HH1 ARG 117 4.435 0.666 14.965 907 1HH2 ARG 117 1HH2 ARG 117 4.985 0.498 14.971 908 2HH2 ARG 117 2HH2 ARG 117 4.654 0.883 15.562 909 H ALA 118 H ALA 118 5.006 -2.900 8.617 910 HA ALA 118 HA ALA 118 2.920 -4.720 9.204 911 1HB ALA 118 1HB ALA 118 2.845 -3.436 7.196 912 2HB ALA 118 2HB ALA 118 2.726 -3.994 6.939 913 3HB ALA 118 3HB ALA 118 3.269 -3.707 6.827 914 H ILE 119 H ILE 119 5.894 -4.952 7.313 915 HA ILE 119 HA ILE 119 5.503 -7.636 6.532 916 HB ILE 119 HB ILE 119 8.121 -6.201 6.742 917 1HG1 ILE 119 2HG1 ILE 119 6.720 -6.306 4.159 918 2HG1 ILE 119 1HG1 ILE 119 6.035 -5.218 5.353 919 1HG2 ILE 119 1HG2 ILE 119 8.022 -8.278 5.411 920 2HG2 ILE 119 2HG2 ILE 119 8.155 -8.256 5.506 921 3HG2 ILE 119 3HG2 ILE 119 8.149 -8.190 5.355 922 1HD1 ILE 119 1HD1 ILE 119 8.218 -4.438 4.645 923 2HD1 ILE 119 2HD1 ILE 119 8.189 -4.471 4.611 924 3HD1 ILE 119 3HD1 ILE 119 8.230 -4.484 4.630 925 H SER 120 H SER 120 6.944 -6.092 9.252 926 HA SER 120 HA SER 120 8.336 -8.333 10.254 927 1HB SER 120 2HB SER 120 8.532 -5.998 11.055 928 2HB SER 120 1HB SER 120 7.613 -6.152 11.860 929 HG SER 120 HG SER 120 8.927 -6.861 12.501 930 H HIS 121 H HIS 121 5.231 -6.885 11.051 931 HA HIS 121 HA HIS 121 4.554 -8.695 13.062 932 1HB HIS 121 2HB HIS 121 3.040 -6.783 11.387 933 2HB HIS 121 1HB HIS 121 2.169 -7.942 12.354 934 HD1 HIS 121 1HD HIS 121 4.705 -5.557 13.100 935 HD2 HIS 121 2HD HIS 121 1.843 -6.899 14.589 936 HE1 HIS 121 1HE HIS 121 4.574 -4.310 15.198 937 HE2 HIS 121 2HE HIS 121 2.839 -5.140 16.085 938 H TYR 122 H TYR 122 4.427 -8.894 9.661 939 HA TYR 122 HA TYR 122 2.583 -11.002 9.538 940 1HB TYR 122 2HB TYR 122 3.743 -9.422 7.662 941 2HB TYR 122 1HB TYR 122 4.254 -10.835 7.368 942 HD1 TYR 122 1HD TYR 122 2.527 -10.589 6.985 943 HD2 TYR 122 2HD TYR 122 2.123 -10.644 7.052 944 HE1 TYR 122 1HE TYR 122 0.699 -10.960 5.844 945 HE2 TYR 122 2HE TYR 122 0.293 -11.016 5.910 946 HH TYR 122 HH TYR 122 -0.823 -11.096 4.982 947 H GLN 123 H GLN 123 6.047 -10.843 9.150 948 HA GLN 123 HA GLN 123 6.847 -13.161 9.099 949 1HB GLN 123 2HB GLN 123 7.709 -12.401 9.789 950 2HB GLN 123 1HB GLN 123 7.617 -12.695 9.933 951 1HG GLN 123 1HG GLN 123 8.140 -13.216 9.799 952 2HG GLN 123 2HG GLN 123 8.193 -12.945 9.690 953 1HE2 GLN 123 1HE2 GLN 123 9.012 -12.715 9.848 954 2HE2 GLN 123 2HE2 GLN 123 9.298 -12.665 9.754 Start of MODEL 2 1 1H MET 1 1HT MET 1 12.614 -17.095 1.166 2 2H MET 1 2HT MET 1 13.714 -17.751 2.308 3 3H MET 1 3HT MET 1 13.282 -16.092 2.383 4 HA MET 1 HA MET 1 11.502 -18.394 2.819 5 1HB MET 1 2HB MET 1 11.452 -17.395 5.149 6 2HB MET 1 1HB MET 1 12.955 -18.174 4.681 7 1HG MET 1 2HG MET 1 13.948 -16.000 4.213 8 2HG MET 1 1HG MET 1 12.435 -15.209 4.648 9 1HE MET 1 1HE MET 1 15.196 -14.272 6.822 10 2HE MET 1 2HE MET 1 15.484 -15.217 5.361 11 3HE MET 1 3HE MET 1 15.937 -15.868 6.935 12 H GLN 2 H GLN 2 11.884 -14.861 2.902 13 HA GLN 2 HA GLN 2 8.991 -14.624 2.427 14 1HB GLN 2 2HB GLN 2 10.782 -12.995 4.208 15 2HB GLN 2 1HB GLN 2 9.283 -12.327 3.576 16 1HG GLN 2 2HG GLN 2 8.031 -13.467 5.021 17 2HG GLN 2 1HG GLN 2 8.947 -14.955 4.784 18 1HE2 GLN 2 1HE2 GLN 2 9.628 -11.723 6.101 19 2HE2 GLN 2 2HE2 GLN 2 10.330 -12.288 7.574 20 H ARG 3 H ARG 3 12.185 -13.416 1.799 21 HA ARG 3 HA ARG 3 13.087 -12.396 -0.012 22 1HB ARG 3 2HB ARG 3 11.523 -13.676 -1.402 23 2HB ARG 3 1HB ARG 3 10.299 -12.437 -1.168 24 1HG ARG 3 2HG ARG 3 11.100 -11.246 -2.852 25 2HG ARG 3 1HG ARG 3 12.714 -11.240 -2.137 26 1HD ARG 3 2HD ARG 3 11.708 -13.658 -3.583 27 2HD ARG 3 1HD ARG 3 12.355 -12.290 -4.486 28 HE ARG 3 HE ARG 3 13.845 -14.241 -3.090 29 1HH1 ARG 3 1HH1 ARG 3 13.811 -10.815 -3.776 30 2HH1 ARG 3 2HH1 ARG 3 15.524 -10.638 -3.589 31 1HH2 ARG 3 1HH2 ARG 3 16.093 -14.008 -2.858 32 2HH2 ARG 3 2HH2 ARG 3 16.820 -12.451 -3.075 33 H GLY 4 H GLY 4 10.423 -11.084 1.706 34 1HA GLY 4 2HA GLY 4 9.810 -8.937 2.222 35 2HA GLY 4 1HA GLY 4 11.524 -8.584 2.062 36 H ILE 5 H ILE 5 8.499 -8.844 0.245 37 HA ILE 5 HA ILE 5 9.637 -7.019 -1.770 38 HB ILE 5 HB ILE 5 7.169 -8.717 -2.104 39 1HG1 ILE 5 2HG1 ILE 5 8.983 -9.916 -3.699 40 2HG1 ILE 5 1HG1 ILE 5 10.042 -9.386 -2.396 41 1HG2 ILE 5 1HG2 ILE 5 6.916 -7.379 -3.872 42 2HG2 ILE 5 2HG2 ILE 5 8.284 -8.243 -4.575 43 3HG2 ILE 5 3HG2 ILE 5 8.547 -6.724 -3.714 44 1HD1 ILE 5 1HD1 ILE 5 7.532 -10.776 -1.658 45 2HD1 ILE 5 2HD1 ILE 5 9.117 -10.807 -0.884 46 3HD1 ILE 5 3HD1 ILE 5 8.836 -11.732 -2.362 47 H VAL 6 H VAL 6 9.074 -4.984 -1.413 48 HA VAL 6 HA VAL 6 6.404 -4.432 -0.307 49 HB VAL 6 HB VAL 6 8.202 -3.541 1.069 50 1HG1 VAL 6 1HG1 VAL 6 9.956 -2.284 0.340 51 2HG1 VAL 6 2HG1 VAL 6 9.052 -1.599 -1.009 52 3HG1 VAL 6 3HG1 VAL 6 9.678 -3.242 -1.111 53 1HG2 VAL 6 1HG2 VAL 6 7.358 -0.980 0.009 54 2HG2 VAL 6 2HG2 VAL 6 6.965 -1.752 1.544 55 3HG2 VAL 6 3HG2 VAL 6 6.021 -2.126 0.104 56 H TRP 7 H TRP 7 4.925 -3.603 -1.622 57 HA TRP 7 HA TRP 7 5.851 -2.296 -4.094 58 1HB TRP 7 2HB TRP 7 3.507 -4.081 -3.537 59 2HB TRP 7 1HB TRP 7 3.456 -2.949 -4.885 60 HD1 TRP 7 HD1 TRP 7 6.897 -4.218 -4.409 61 HE1 TRP 7 1HE TRP 7 7.442 -6.030 -6.146 62 HE3 TRP 7 3HE TRP 7 2.176 -5.086 -6.186 63 HZ2 TRP 7 2HZ TRP 7 6.059 -7.624 -8.018 64 HZ3 TRP 7 3HZ TRP 7 1.879 -6.775 -7.949 65 HH2 TRP 7 HH2 TRP 7 3.780 -8.016 -8.845 66 H VAL 8 H VAL 8 5.244 -0.275 -4.494 67 HA VAL 8 HA VAL 8 3.294 0.960 -2.660 68 HB VAL 8 HB VAL 8 5.133 2.724 -4.165 69 1HG1 VAL 8 1HG1 VAL 8 3.352 3.046 -2.139 70 2HG1 VAL 8 2HG1 VAL 8 4.657 4.169 -2.525 71 3HG1 VAL 8 3HG1 VAL 8 4.878 2.962 -1.258 72 1HG2 VAL 8 1HG2 VAL 8 6.736 2.246 -2.047 73 2HG2 VAL 8 2HG2 VAL 8 6.961 1.516 -3.637 74 3HG2 VAL 8 3HG2 VAL 8 6.134 0.619 -2.360 75 H VAL 9 H VAL 9 1.757 2.394 -3.500 76 HA VAL 9 HA VAL 9 1.600 2.543 -6.432 77 HB VAL 9 HB VAL 9 -1.036 2.490 -5.179 78 1HG1 VAL 9 1HG1 VAL 9 -0.461 2.354 -7.620 79 2HG1 VAL 9 2HG1 VAL 9 -1.557 1.101 -7.055 80 3HG1 VAL 9 3HG1 VAL 9 0.131 0.729 -7.322 81 1HG2 VAL 9 1HG2 VAL 9 0.120 0.896 -3.676 82 2HG2 VAL 9 2HG2 VAL 9 0.571 -0.064 -5.083 83 3HG2 VAL 9 3HG2 VAL 9 -1.127 0.134 -4.655 84 H ASP 10 H ASP 10 1.988 4.616 -6.814 85 HA ASP 10 HA ASP 10 0.159 6.618 -5.860 86 1HB ASP 10 2HB ASP 10 2.268 6.165 -4.195 87 2HB ASP 10 1HB ASP 10 2.926 7.420 -5.242 88 H ASP 11 H ASP 11 1.963 8.809 -6.372 89 HA ASP 11 HA ASP 11 1.639 9.025 -9.175 90 1HB ASP 11 2HB ASP 11 3.208 10.777 -7.278 91 2HB ASP 11 1HB ASP 11 2.778 11.197 -8.934 92 H ASP 12 H ASP 12 3.720 7.029 -7.860 93 HA ASP 12 HA ASP 12 5.790 6.205 -8.300 94 1HB ASP 12 2HB ASP 12 6.238 5.857 -10.664 95 2HB ASP 12 1HB ASP 12 4.520 5.650 -10.349 96 H SER 13 H SER 13 7.579 7.124 -10.479 97 HA SER 13 HA SER 13 9.535 8.283 -10.443 98 1HB SER 13 2HB SER 13 7.700 9.519 -11.732 99 2HB SER 13 1HB SER 13 7.764 10.694 -10.421 100 HG SER 13 HG SER 13 10.044 9.849 -11.876 101 H SER 14 H SER 14 7.956 10.923 -8.785 102 HA SER 14 HA SER 14 10.041 11.388 -7.016 103 1HB SER 14 2HB SER 14 7.940 12.837 -7.628 104 2HB SER 14 1HB SER 14 7.227 12.051 -6.219 105 HG SER 14 HG SER 14 9.776 13.207 -6.017 106 H ILE 15 H ILE 15 6.886 9.919 -6.209 107 HA ILE 15 HA ILE 15 7.666 9.090 -3.637 108 HB ILE 15 HB ILE 15 5.547 7.762 -5.323 109 1HG1 ILE 15 2HG1 ILE 15 5.238 10.219 -5.306 110 2HG1 ILE 15 1HG1 ILE 15 3.961 9.380 -4.432 111 1HG2 ILE 15 1HG2 ILE 15 6.431 7.512 -2.578 112 2HG2 ILE 15 2HG2 ILE 15 5.335 6.491 -3.511 113 3HG2 ILE 15 3HG2 ILE 15 4.717 7.920 -2.682 114 1HD1 ILE 15 1HD1 ILE 15 4.810 11.458 -3.347 115 2HD1 ILE 15 2HD1 ILE 15 6.343 10.626 -3.089 116 3HD1 ILE 15 3HD1 ILE 15 4.869 10.016 -2.336 117 H ARG 16 H ARG 16 8.188 7.747 -6.766 118 HA ARG 16 HA ARG 16 8.678 5.070 -5.945 119 1HB ARG 16 2HB ARG 16 8.069 5.571 -8.241 120 2HB ARG 16 1HB ARG 16 9.518 6.548 -8.443 121 1HG ARG 16 2HG ARG 16 10.222 3.911 -7.550 122 2HG ARG 16 1HG ARG 16 9.198 3.818 -8.981 123 1HD ARG 16 2HD ARG 16 11.229 5.879 -9.217 124 2HD ARG 16 1HD ARG 16 11.924 4.286 -8.928 125 HE ARG 16 HE ARG 16 9.945 4.647 -11.065 126 1HH1 ARG 16 1HH1 ARG 16 13.214 3.883 -10.079 127 2HH1 ARG 16 2HH1 ARG 16 13.653 3.227 -11.619 128 1HH2 ARG 16 1HH2 ARG 16 10.534 3.797 -13.091 129 2HH2 ARG 16 2HH2 ARG 16 12.136 3.181 -13.329 130 H TRP 17 H TRP 17 10.918 7.677 -6.920 131 HA TRP 17 HA TRP 17 13.254 6.253 -6.330 132 1HB TRP 17 2HB TRP 17 13.196 8.328 -7.682 133 2HB TRP 17 1HB TRP 17 12.878 9.249 -6.215 134 HD1 TRP 17 HD1 TRP 17 15.669 7.291 -7.971 135 HE1 TRP 17 1HE TRP 17 17.919 7.944 -6.904 136 HE3 TRP 17 3HE TRP 17 13.929 10.130 -4.094 137 HZ2 TRP 17 2HZ TRP 17 18.833 9.458 -4.702 138 HZ3 TRP 17 3HZ TRP 17 15.557 11.141 -2.547 139 HH2 TRP 17 HH2 TRP 17 17.958 10.811 -2.849 140 H VAL 18 H VAL 18 11.314 8.410 -4.300 141 HA VAL 18 HA VAL 18 13.081 8.470 -2.121 142 HB VAL 18 HB VAL 18 10.101 8.726 -1.852 143 1HG1 VAL 18 1HG1 VAL 18 11.912 8.762 0.079 144 2HG1 VAL 18 2HG1 VAL 18 10.500 9.819 0.105 145 3HG1 VAL 18 3HG1 VAL 18 12.061 10.443 -0.433 146 1HG2 VAL 18 1HG2 VAL 18 11.439 11.250 -2.223 147 2HG2 VAL 18 2HG2 VAL 18 10.039 10.589 -3.063 148 3HG2 VAL 18 3HG2 VAL 18 11.666 10.213 -3.631 149 H LEU 19 H LEU 19 10.318 6.395 -2.776 150 HA LEU 19 HA LEU 19 10.677 4.960 -0.321 151 1HB LEU 19 2HB LEU 19 8.748 4.744 -2.590 152 2HB LEU 19 1HB LEU 19 8.846 3.473 -1.387 153 HG LEU 19 HG LEU 19 8.166 6.364 -0.853 154 1HD1 LEU 19 1HD1 LEU 19 6.299 4.163 -0.245 155 2HD1 LEU 19 2HD1 LEU 19 6.542 4.536 -1.952 156 3HD1 LEU 19 3HD1 LEU 19 5.982 5.790 -0.847 157 1HD2 LEU 19 1HD2 LEU 19 9.354 5.497 1.036 158 2HD2 LEU 19 2HD2 LEU 19 8.429 3.998 0.996 159 3HD2 LEU 19 3HD2 LEU 19 7.638 5.511 1.433 160 H GLU 20 H GLU 20 11.673 4.518 -3.608 161 HA GLU 20 HA GLU 20 12.053 1.724 -3.470 162 1HB GLU 20 2HB GLU 20 13.200 1.864 -5.522 163 2HB GLU 20 1HB GLU 20 11.918 3.052 -5.580 164 1HG GLU 20 2HG GLU 20 13.554 4.812 -5.103 165 2HG GLU 20 1HG GLU 20 14.831 3.597 -5.089 166 H ARG 21 H ARG 21 14.450 4.319 -3.338 167 HA ARG 21 HA ARG 21 16.598 2.640 -2.651 168 1HB ARG 21 2HB ARG 21 16.221 5.613 -2.324 169 2HB ARG 21 1HB ARG 21 17.732 4.787 -1.969 170 1HG ARG 21 2HG ARG 21 16.710 4.128 -4.605 171 2HG ARG 21 1HG ARG 21 16.979 5.860 -4.393 172 1HD ARG 21 2HD ARG 21 19.246 5.593 -4.019 173 2HD ARG 21 1HD ARG 21 19.074 3.911 -3.522 174 HE ARG 21 HE ARG 21 19.257 4.928 -6.241 175 1HH1 ARG 21 1HH1 ARG 21 18.622 2.196 -4.159 176 2HH1 ARG 21 2HH1 ARG 21 18.904 1.026 -5.401 177 1HH2 ARG 21 1HH2 ARG 21 19.634 3.384 -7.876 178 2HH2 ARG 21 2HH2 ARG 21 19.479 1.699 -7.511 179 H ALA 22 H ALA 22 14.560 4.728 -0.592 180 HA ALA 22 HA ALA 22 15.869 4.276 1.803 181 1HB ALA 22 1HB ALA 22 14.324 5.749 2.411 182 2HB ALA 22 2HB ALA 22 13.168 4.420 2.480 183 3HB ALA 22 3HB ALA 22 13.339 5.359 1.001 184 H LEU 23 H LEU 23 12.984 2.565 0.695 185 HA LEU 23 HA LEU 23 13.116 0.600 2.704 186 1HB LEU 23 2HB LEU 23 11.486 1.114 0.371 187 2HB LEU 23 1HB LEU 23 11.828 -0.598 0.533 188 HG LEU 23 HG LEU 23 10.534 1.164 2.617 189 1HD1 LEU 23 1HD1 LEU 23 9.419 -0.040 0.383 190 2HD1 LEU 23 2HD1 LEU 23 8.560 0.548 1.806 191 3HD1 LEU 23 3HD1 LEU 23 9.047 -1.144 1.707 192 1HD2 LEU 23 1HD2 LEU 23 12.090 -0.864 3.288 193 2HD2 LEU 23 2HD2 LEU 23 10.660 -1.801 2.847 194 3HD2 LEU 23 3HD2 LEU 23 10.554 -0.569 4.106 195 H ALA 24 H ALA 24 14.666 0.936 -0.376 196 HA ALA 24 HA ALA 24 15.498 -1.741 -0.725 197 1HB ALA 24 1HB ALA 24 17.340 -0.673 -2.120 198 2HB ALA 24 2HB ALA 24 16.616 0.880 -1.706 199 3HB ALA 24 3HB ALA 24 15.684 -0.315 -2.608 200 H GLY 25 H GLY 25 16.751 1.001 1.087 201 1HA GLY 25 2HA GLY 25 19.247 -0.162 1.793 202 2HA GLY 25 1HA GLY 25 18.434 1.145 2.649 203 H ALA 26 H ALA 26 15.997 -0.590 2.929 204 HA ALA 26 HA ALA 26 16.707 -1.754 5.440 205 1HB ALA 26 1HB ALA 26 14.608 -0.963 5.687 206 2HB ALA 26 2HB ALA 26 14.162 -2.559 5.088 207 3HB ALA 26 3HB ALA 26 14.204 -1.184 3.982 208 H GLY 27 H GLY 27 16.636 -2.871 2.222 209 1HA GLY 27 2HA GLY 27 17.599 -4.971 1.649 210 2HA GLY 27 1HA GLY 27 17.046 -5.610 3.186 211 H LEU 28 H LEU 28 14.839 -3.777 1.156 212 HA LEU 28 HA LEU 28 13.570 -6.308 0.417 213 1HB LEU 28 2HB LEU 28 11.812 -3.968 0.771 214 2HB LEU 28 1HB LEU 28 11.514 -5.659 1.125 215 HG LEU 28 HG LEU 28 13.283 -5.168 3.054 216 1HD1 LEU 28 1HD1 LEU 28 13.855 -3.010 2.974 217 2HD1 LEU 28 2HD1 LEU 28 12.340 -2.788 3.850 218 3HD1 LEU 28 3HD1 LEU 28 12.395 -2.544 2.102 219 1HD2 LEU 28 1HD2 LEU 28 10.677 -4.100 3.809 220 2HD2 LEU 28 2HD2 LEU 28 11.532 -5.523 4.400 221 3HD2 LEU 28 3HD2 LEU 28 10.583 -5.616 2.915 222 H THR 29 H THR 29 11.854 -5.969 -1.334 223 HA THR 29 HA THR 29 13.103 -4.416 -3.486 224 HB THR 29 HB THR 29 11.125 -6.702 -3.509 225 HG1 THR 29 1HG THR 29 13.457 -7.054 -3.213 226 1HG2 THR 29 1HG2 THR 29 10.404 -5.972 -5.477 227 2HG2 THR 29 2HG2 THR 29 11.999 -6.407 -6.090 228 3HG2 THR 29 3HG2 THR 29 11.670 -4.750 -5.585 229 H CYS 30 H CYS 30 12.316 -2.400 -3.571 230 HA CYS 30 HA CYS 30 9.454 -1.961 -3.110 231 1HB CYS 30 2HB CYS 30 11.007 -0.662 -1.735 232 2HB CYS 30 1HB CYS 30 11.731 0.010 -3.191 233 HG CYS 30 HG CYS 30 10.071 1.787 -3.008 234 H THR 31 H THR 31 8.215 -1.923 -4.840 235 HA THR 31 HA THR 31 9.213 -0.571 -7.261 236 HB THR 31 HB THR 31 8.809 -3.144 -7.379 237 HG1 THR 31 1HG THR 31 8.330 -2.901 -9.475 238 1HG2 THR 31 1HG2 THR 31 6.403 -2.667 -6.335 239 2HG2 THR 31 2HG2 THR 31 6.728 -4.003 -7.438 240 3HG2 THR 31 3HG2 THR 31 6.011 -2.515 -8.044 241 H THR 32 H THR 32 7.666 0.755 -8.350 242 HA THR 32 HA THR 32 5.317 1.378 -6.706 243 HB THR 32 HB THR 32 5.562 3.698 -7.275 244 HG1 THR 32 1HG THR 32 7.447 2.699 -9.081 245 1HG2 THR 32 1HG2 THR 32 7.088 4.057 -5.716 246 2HG2 THR 32 2HG2 THR 32 8.367 3.343 -6.697 247 3HG2 THR 32 3HG2 THR 32 7.351 2.312 -5.686 248 H PHE 33 H PHE 33 3.594 2.547 -7.863 249 HA PHE 33 HA PHE 33 3.302 1.696 -10.650 250 1HB PHE 33 2HB PHE 33 1.257 1.288 -8.478 251 2HB PHE 33 1HB PHE 33 1.018 0.940 -10.179 252 HD1 PHE 33 1HD PHE 33 1.249 -1.255 -10.829 253 HD2 PHE 33 2HD PHE 33 3.451 0.127 -7.475 254 HE1 PHE 33 1HE PHE 33 2.127 -3.509 -10.481 255 HE2 PHE 33 2HE PHE 33 4.348 -2.129 -7.121 256 HZ PHE 33 HZ PHE 33 3.668 -3.968 -8.632 257 H GLU 34 H GLU 34 1.162 2.658 -11.555 258 HA GLU 34 HA GLU 34 1.452 5.433 -11.613 259 1HB GLU 34 2HB GLU 34 -0.657 5.406 -12.930 260 2HB GLU 34 1HB GLU 34 0.533 4.231 -13.483 261 1HG GLU 34 2HG GLU 34 -1.261 2.870 -13.497 262 2HG GLU 34 1HG GLU 34 -0.832 2.682 -11.800 263 H ASN 35 H ASN 35 -1.013 3.473 -9.883 264 HA ASN 35 HA ASN 35 -1.339 5.544 -7.969 265 1HB ASN 35 2HB ASN 35 -3.275 5.360 -10.198 266 2HB ASN 35 1HB ASN 35 -3.934 5.626 -8.586 267 1HD2 ASN 35 1HD2 ASN 35 -2.626 7.332 -7.326 268 2HD2 ASN 35 2HD2 ASN 35 -2.303 8.794 -8.191 269 H GLY 36 H GLY 36 -3.413 3.033 -9.337 270 1HA GLY 36 2HA GLY 36 -3.185 1.473 -6.903 271 2HA GLY 36 1HA GLY 36 -4.758 2.190 -7.176 272 H ASN 37 H ASN 37 -5.146 1.879 -9.851 273 HA ASN 37 HA ASN 37 -5.978 -0.785 -10.014 274 1HB ASN 37 2HB ASN 37 -6.370 1.539 -11.509 275 2HB ASN 37 1HB ASN 37 -5.673 0.381 -12.637 276 1HD2 ASN 37 1HD2 ASN 37 -8.036 0.332 -9.981 277 2HD2 ASN 37 2HD2 ASN 37 -9.234 -0.571 -10.839 278 H GLU 38 H GLU 38 -2.979 0.685 -10.821 279 HA GLU 38 HA GLU 38 -2.009 -1.130 -12.712 280 1HB GLU 38 2HB GLU 38 -1.052 1.089 -11.304 281 2HB GLU 38 1HB GLU 38 0.061 -0.210 -10.937 282 1HG GLU 38 2HG GLU 38 -0.651 0.023 -13.768 283 2HG GLU 38 1HG GLU 38 0.221 1.403 -13.105 284 H VAL 39 H VAL 39 -1.319 -1.095 -9.166 285 HA VAL 39 HA VAL 39 0.070 -3.499 -9.086 286 HB VAL 39 HB VAL 39 -1.849 -2.764 -6.887 287 1HG1 VAL 39 1HG1 VAL 39 -0.008 -4.796 -7.178 288 2HG1 VAL 39 2HG1 VAL 39 -0.717 -4.240 -5.663 289 3HG1 VAL 39 3HG1 VAL 39 0.841 -3.609 -6.193 290 1HG2 VAL 39 1HG2 VAL 39 0.764 -1.677 -6.458 291 2HG2 VAL 39 2HG2 VAL 39 -0.801 -0.871 -6.444 292 3HG2 VAL 39 3HG2 VAL 39 0.089 -1.039 -7.955 293 H LEU 40 H LEU 40 -3.399 -2.957 -9.157 294 HA LEU 40 HA LEU 40 -4.298 -5.482 -8.443 295 1HB LEU 40 2HB LEU 40 -5.569 -3.805 -10.591 296 2HB LEU 40 1HB LEU 40 -6.355 -4.932 -9.499 297 HG LEU 40 HG LEU 40 -5.191 -2.238 -8.786 298 1HD1 LEU 40 1HD1 LEU 40 -7.873 -3.252 -9.409 299 2HD1 LEU 40 2HD1 LEU 40 -7.231 -1.615 -9.487 300 3HD1 LEU 40 3HD1 LEU 40 -7.767 -2.272 -7.951 301 1HD2 LEU 40 1HD2 LEU 40 -6.556 -3.057 -6.589 302 2HD2 LEU 40 2HD2 LEU 40 -4.805 -3.192 -6.786 303 3HD2 LEU 40 3HD2 LEU 40 -5.842 -4.577 -7.131 304 H ALA 41 H ALA 41 -3.277 -4.262 -11.593 305 HA ALA 41 HA ALA 41 -3.848 -6.710 -12.962 306 1HB ALA 41 1HB ALA 41 -2.098 -4.457 -13.907 307 2HB ALA 41 2HB ALA 41 -3.858 -4.458 -14.044 308 3HB ALA 41 3HB ALA 41 -2.906 -5.677 -14.894 309 H ALA 42 H ALA 42 -0.923 -5.090 -11.887 310 HA ALA 42 HA ALA 42 0.909 -7.022 -12.794 311 1HB ALA 42 1HB ALA 42 1.154 -4.557 -11.701 312 2HB ALA 42 2HB ALA 42 2.490 -5.685 -11.912 313 3HB ALA 42 3HB ALA 42 1.675 -5.567 -10.352 314 H LEU 43 H LEU 43 -0.905 -6.694 -9.809 315 HA LEU 43 HA LEU 43 0.414 -8.627 -8.290 316 1HB LEU 43 2HB LEU 43 -2.305 -7.415 -8.243 317 2HB LEU 43 1HB LEU 43 -2.016 -8.846 -7.270 318 HG LEU 43 HG LEU 43 -0.245 -6.434 -7.078 319 1HD1 LEU 43 1HD1 LEU 43 -2.905 -6.927 -5.829 320 2HD1 LEU 43 2HD1 LEU 43 -2.223 -5.428 -6.452 321 3HD1 LEU 43 3HD1 LEU 43 -1.661 -6.082 -4.916 322 1HD2 LEU 43 1HD2 LEU 43 -0.531 -9.018 -5.728 323 2HD2 LEU 43 2HD2 LEU 43 -0.321 -7.635 -4.654 324 3HD2 LEU 43 3HD2 LEU 43 0.880 -7.973 -5.901 325 H ALA 44 H ALA 44 -1.660 -8.952 -10.985 326 HA ALA 44 HA ALA 44 -2.763 -11.486 -10.537 327 1HB ALA 44 1HB ALA 44 -3.333 -11.495 -12.818 328 2HB ALA 44 2HB ALA 44 -1.980 -10.446 -13.242 329 3HB ALA 44 3HB ALA 44 -3.352 -9.796 -12.346 330 H SER 45 H SER 45 0.470 -10.575 -11.162 331 HA SER 45 HA SER 45 1.148 -13.344 -11.796 332 1HB SER 45 2HB SER 45 1.999 -10.827 -13.032 333 2HB SER 45 1HB SER 45 3.327 -11.924 -12.658 334 HG SER 45 HG SER 45 2.695 -13.181 -14.217 335 H LYS 46 H LYS 46 1.363 -11.011 -9.420 336 HA LYS 46 HA LYS 46 3.223 -12.565 -7.907 337 1HB LYS 46 2HB LYS 46 4.421 -10.727 -9.518 338 2HB LYS 46 1HB LYS 46 4.177 -9.781 -8.056 339 1HG LYS 46 2HG LYS 46 5.197 -12.256 -7.219 340 2HG LYS 46 1HG LYS 46 6.151 -11.772 -8.623 341 1HD LYS 46 2HD LYS 46 6.005 -9.430 -7.258 342 2HD LYS 46 1HD LYS 46 6.011 -10.595 -5.932 343 1HE LYS 46 2HE LYS 46 8.003 -10.711 -8.179 344 2HE LYS 46 1HE LYS 46 8.269 -9.726 -6.740 345 1HZ LYS 46 1HZ LYS 46 8.698 -11.522 -5.492 346 2HZ LYS 46 2HZ LYS 46 9.008 -12.285 -6.969 347 3HZ LYS 46 3HZ LYS 46 7.501 -12.470 -6.225 348 H THR 47 H THR 47 3.503 -11.730 -5.695 349 HA THR 47 HA THR 47 1.531 -9.750 -4.909 350 HB THR 47 HB THR 47 1.755 -12.495 -3.676 351 HG1 THR 47 1HG THR 47 -0.575 -12.396 -4.312 352 1HG2 THR 47 1HG2 THR 47 1.260 -10.507 -2.103 353 2HG2 THR 47 2HG2 THR 47 0.215 -11.926 -2.053 354 3HG2 THR 47 3HG2 THR 47 -0.307 -10.479 -2.910 355 HA PRO 48 HA PRO 48 5.194 -8.594 -2.550 356 1HB PRO 48 2HB PRO 48 4.272 -6.198 -1.717 357 2HB PRO 48 1HB PRO 48 4.850 -6.456 -3.366 358 1HG PRO 48 2HG PRO 48 2.042 -6.390 -2.333 359 2HG PRO 48 1HG PRO 48 2.706 -5.666 -3.807 360 1HD PRO 48 2HD PRO 48 1.335 -8.012 -3.789 361 2HD PRO 48 1HD PRO 48 2.598 -7.638 -4.975 362 H ASP 49 H ASP 49 5.663 -8.311 -0.309 363 HA ASP 49 HA ASP 49 3.804 -9.649 1.418 364 1HB ASP 49 2HB ASP 49 6.485 -8.369 1.993 365 2HB ASP 49 1HB ASP 49 5.564 -9.328 3.148 366 H VAL 50 H VAL 50 4.561 -6.347 0.696 367 HA VAL 50 HA VAL 50 2.522 -5.480 2.584 368 HB VAL 50 HB VAL 50 4.564 -5.381 3.903 369 1HG1 VAL 50 1HG1 VAL 50 5.783 -3.283 2.216 370 2HG1 VAL 50 2HG1 VAL 50 5.880 -4.944 1.625 371 3HG1 VAL 50 3HG1 VAL 50 6.542 -4.528 3.208 372 1HG2 VAL 50 1HG2 VAL 50 4.539 -2.982 4.490 373 2HG2 VAL 50 2HG2 VAL 50 2.922 -3.670 4.335 374 3HG2 VAL 50 3HG2 VAL 50 3.578 -2.665 3.045 375 H LEU 51 H LEU 51 1.226 -4.692 0.955 376 HA LEU 51 HA LEU 51 2.341 -2.959 -1.092 377 1HB LEU 51 2HB LEU 51 0.565 -4.642 -1.598 378 2HB LEU 51 1HB LEU 51 -0.544 -3.700 -0.621 379 HG LEU 51 HG LEU 51 -0.150 -1.764 -2.175 380 1HD1 LEU 51 1HD1 LEU 51 2.005 -3.009 -3.044 381 2HD1 LEU 51 2HD1 LEU 51 1.074 -1.936 -4.086 382 3HD1 LEU 51 3HD1 LEU 51 0.861 -3.682 -4.205 383 1HD2 LEU 51 1HD2 LEU 51 -1.829 -2.426 -3.598 384 2HD2 LEU 51 2HD2 LEU 51 -2.024 -3.575 -2.274 385 3HD2 LEU 51 3HD2 LEU 51 -1.201 -4.067 -3.754 386 H LEU 52 H LEU 52 2.078 -0.810 -1.264 387 HA LEU 52 HA LEU 52 0.622 0.589 0.893 388 1HB LEU 52 2HB LEU 52 3.367 0.619 0.339 389 2HB LEU 52 1HB LEU 52 2.767 2.120 -0.334 390 HG LEU 52 HG LEU 52 2.267 1.284 2.517 391 1HD1 LEU 52 1HD1 LEU 52 4.564 1.485 2.535 392 2HD1 LEU 52 2HD1 LEU 52 4.061 3.139 2.880 393 3HD1 LEU 52 3HD1 LEU 52 4.574 2.695 1.252 394 1HD2 LEU 52 1HD2 LEU 52 1.984 3.813 2.702 395 2HD2 LEU 52 2HD2 LEU 52 0.699 2.918 1.892 396 3HD2 LEU 52 3HD2 LEU 52 1.886 3.811 0.942 397 H SER 53 H SER 53 -1.138 1.560 -0.011 398 HA SER 53 HA SER 53 -0.828 2.667 -2.728 399 1HB SER 53 2HB SER 53 -2.696 0.794 -1.807 400 2HB SER 53 1HB SER 53 -3.597 2.303 -1.957 401 HG SER 53 HG SER 53 -3.542 1.076 -3.912 402 H ASP 54 H ASP 54 -1.949 4.598 -3.256 403 HA ASP 54 HA ASP 54 -1.967 6.526 -1.100 404 1HB ASP 54 2HB ASP 54 -2.317 8.179 -2.888 405 2HB ASP 54 1HB ASP 54 -0.962 7.119 -3.253 406 H ILE 55 H ILE 55 -3.894 8.323 -1.804 407 HA ILE 55 HA ILE 55 -6.413 7.024 -2.181 408 HB ILE 55 HB ILE 55 -6.054 6.518 0.165 409 1HG1 ILE 55 2HG1 ILE 55 -8.070 8.507 0.707 410 2HG1 ILE 55 1HG1 ILE 55 -8.308 7.828 -0.898 411 1HG2 ILE 55 1HG2 ILE 55 -6.273 8.794 1.612 412 2HG2 ILE 55 2HG2 ILE 55 -5.257 9.321 0.270 413 3HG2 ILE 55 3HG2 ILE 55 -4.764 7.952 1.262 414 1HD1 ILE 55 1HD1 ILE 55 -8.051 5.547 0.297 415 2HD1 ILE 55 2HD1 ILE 55 -9.567 6.433 0.441 416 3HD1 ILE 55 3HD1 ILE 55 -8.396 6.470 1.757 417 H ARG 56 H ARG 56 -5.830 8.676 -3.910 418 HA ARG 56 HA ARG 56 -7.603 10.830 -3.710 419 1HB ARG 56 2HB ARG 56 -5.962 12.715 -3.814 420 2HB ARG 56 1HB ARG 56 -6.038 11.906 -2.257 421 1HG ARG 56 2HG ARG 56 -4.005 10.642 -2.840 422 2HG ARG 56 1HG ARG 56 -3.916 11.536 -4.360 423 1HD ARG 56 2HD ARG 56 -3.558 13.593 -3.226 424 2HD ARG 56 1HD ARG 56 -3.959 12.879 -1.664 425 HE ARG 56 HE ARG 56 -1.809 11.444 -2.530 426 1HH1 ARG 56 1HH1 ARG 56 -2.431 14.844 -2.020 427 2HH1 ARG 56 2HH1 ARG 56 -0.786 15.211 -1.623 428 1HH2 ARG 56 1HH2 ARG 56 0.349 11.927 -2.005 429 2HH2 ARG 56 2HH2 ARG 56 0.793 13.557 -1.620 430 H MET 57 H MET 57 -7.785 9.265 -5.662 431 HA MET 57 HA MET 57 -6.984 10.756 -7.960 432 1HB MET 57 2HB MET 57 -5.036 9.087 -7.229 433 2HB MET 57 1HB MET 57 -6.002 7.959 -8.165 434 1HG MET 57 2HG MET 57 -4.608 8.745 -9.777 435 2HG MET 57 1HG MET 57 -5.966 9.858 -9.950 436 1HE MET 57 1HE MET 57 -4.463 12.354 -10.870 437 2HE MET 57 2HE MET 57 -4.879 13.137 -9.344 438 3HE MET 57 3HE MET 57 -5.958 11.928 -10.040 439 HA PRO 58 HA PRO 58 -9.720 7.093 -9.528 440 1HB PRO 58 2HB PRO 58 -10.485 5.217 -7.707 441 2HB PRO 58 1HB PRO 58 -9.038 5.059 -8.713 442 1HG PRO 58 2HG PRO 58 -9.277 6.018 -5.879 443 2HG PRO 58 1HG PRO 58 -8.112 4.874 -6.575 444 1HD PRO 58 2HD PRO 58 -7.443 7.428 -6.134 445 2HD PRO 58 1HD PRO 58 -6.863 6.558 -7.567 446 H GLY 59 H GLY 59 -12.045 6.146 -8.816 447 1HA GLY 59 2HA GLY 59 -13.662 8.357 -8.251 448 2HA GLY 59 1HA GLY 59 -14.187 6.681 -8.189 449 H MET 60 H MET 60 -13.364 5.486 -6.164 450 HA MET 60 HA MET 60 -14.321 6.951 -3.884 451 1HB MET 60 2HB MET 60 -14.078 4.233 -4.614 452 2HB MET 60 1HB MET 60 -13.097 4.440 -3.173 453 1HG MET 60 2HG MET 60 -14.870 4.709 -1.850 454 2HG MET 60 1HG MET 60 -15.728 5.700 -3.027 455 1HE MET 60 1HE MET 60 -16.608 1.572 -1.798 456 2HE MET 60 2HE MET 60 -15.537 2.783 -1.094 457 3HE MET 60 3HE MET 60 -14.920 1.657 -2.304 458 H ASP 61 H ASP 61 -12.318 8.416 -4.594 459 HA ASP 61 HA ASP 61 -10.254 9.254 -4.201 460 1HB ASP 61 2HB ASP 61 -9.737 9.256 -1.650 461 2HB ASP 61 1HB ASP 61 -11.126 10.138 -2.267 462 H GLY 62 H GLY 62 -10.052 6.655 -1.755 463 1HA GLY 62 2HA GLY 62 -7.761 5.580 -3.269 464 2HA GLY 62 1HA GLY 62 -7.593 5.952 -1.566 465 H LEU 63 H LEU 63 -10.305 5.000 -0.946 466 HA LEU 63 HA LEU 63 -9.600 2.316 -0.443 467 1HB LEU 63 2HB LEU 63 -12.437 3.196 -0.258 468 2HB LEU 63 1HB LEU 63 -11.521 2.149 0.809 469 HG LEU 63 HG LEU 63 -10.209 4.453 1.236 470 1HD1 LEU 63 1HD1 LEU 63 -13.044 5.330 0.781 471 2HD1 LEU 63 2HD1 LEU 63 -11.713 5.673 -0.316 472 3HD1 LEU 63 3HD1 LEU 63 -11.692 6.319 1.322 473 1HD2 LEU 63 1HD2 LEU 63 -11.272 4.526 3.315 474 2HD2 LEU 63 2HD2 LEU 63 -11.391 2.839 2.811 475 3HD2 LEU 63 3HD2 LEU 63 -12.788 3.902 2.660 476 H ALA 64 H ALA 64 -10.851 3.821 -3.193 477 HA ALA 64 HA ALA 64 -12.594 1.923 -4.254 478 1HB ALA 64 1HB ALA 64 -12.478 3.903 -5.459 479 2HB ALA 64 2HB ALA 64 -11.602 2.779 -6.497 480 3HB ALA 64 3HB ALA 64 -10.716 3.910 -5.476 481 H LEU 65 H LEU 65 -9.089 2.248 -4.807 482 HA LEU 65 HA LEU 65 -8.698 -0.079 -6.273 483 1HB LEU 65 2HB LEU 65 -6.333 0.033 -5.394 484 2HB LEU 65 1HB LEU 65 -6.922 1.485 -6.181 485 HG LEU 65 HG LEU 65 -7.532 2.197 -3.731 486 1HD1 LEU 65 1HD1 LEU 65 -6.661 1.061 -2.040 487 2HD1 LEU 65 2HD1 LEU 65 -5.100 0.896 -2.834 488 3HD1 LEU 65 3HD1 LEU 65 -6.395 -0.241 -3.190 489 1HD2 LEU 65 1HD2 LEU 65 -5.143 2.488 -5.366 490 2HD2 LEU 65 2HD2 LEU 65 -4.846 2.750 -3.649 491 3HD2 LEU 65 3HD2 LEU 65 -6.071 3.701 -4.487 492 H LEU 66 H LEU 66 -8.684 0.419 -2.760 493 HA LEU 66 HA LEU 66 -7.787 -2.011 -1.862 494 1HB LEU 66 2HB LEU 66 -9.872 -0.141 -0.792 495 2HB LEU 66 1HB LEU 66 -9.533 -1.648 0.031 496 HG LEU 66 HG LEU 66 -7.396 0.384 -0.566 497 1HD1 LEU 66 1HD1 LEU 66 -8.253 1.711 0.984 498 2HD1 LEU 66 2HD1 LEU 66 -7.978 0.432 2.167 499 3HD1 LEU 66 3HD1 LEU 66 -9.533 0.553 1.344 500 1HD2 LEU 66 1HD2 LEU 66 -7.535 -2.216 0.797 501 2HD2 LEU 66 2HD2 LEU 66 -6.638 -0.961 1.650 502 3HD2 LEU 66 3HD2 LEU 66 -6.178 -1.415 0.010 503 H LYS 67 H LYS 67 -11.183 -1.212 -2.647 504 HA LYS 67 HA LYS 67 -12.283 -3.711 -2.137 505 1HB LYS 67 2HB LYS 67 -13.430 -1.478 -2.811 506 2HB LYS 67 1HB LYS 67 -13.222 -2.062 -4.459 507 1HG LYS 67 2HG LYS 67 -14.656 -3.870 -4.131 508 2HG LYS 67 1HG LYS 67 -14.540 -3.761 -2.373 509 1HD LYS 67 2HD LYS 67 -15.951 -1.898 -2.280 510 2HD LYS 67 1HD LYS 67 -15.735 -1.537 -3.994 511 1HE LYS 67 2HE LYS 67 -17.939 -2.468 -3.619 512 2HE LYS 67 1HE LYS 67 -16.963 -3.593 -4.563 513 1HZ LYS 67 1HZ LYS 67 -16.857 -5.077 -2.854 514 2HZ LYS 67 2HZ LYS 67 -18.366 -4.392 -2.515 515 3HZ LYS 67 3HZ LYS 67 -16.999 -3.898 -1.648 516 H GLN 68 H GLN 68 -10.773 -2.497 -5.105 517 HA GLN 68 HA GLN 68 -11.287 -4.788 -6.669 518 1HB GLN 68 2HB GLN 68 -8.900 -2.984 -6.984 519 2HB GLN 68 1HB GLN 68 -9.699 -3.930 -8.227 520 1HG GLN 68 2HG GLN 68 -11.185 -1.768 -6.806 521 2HG GLN 68 1HG GLN 68 -10.062 -1.373 -8.106 522 1HE2 GLN 68 1HE2 GLN 68 -12.996 -1.117 -7.916 523 2HE2 GLN 68 2HE2 GLN 68 -13.621 -1.976 -9.279 524 H ILE 69 H ILE 69 -8.861 -4.036 -4.286 525 HA ILE 69 HA ILE 69 -6.940 -5.953 -4.987 526 HB ILE 69 HB ILE 69 -7.546 -4.709 -2.309 527 1HG1 ILE 69 2HG1 ILE 69 -5.256 -4.166 -4.195 528 2HG1 ILE 69 1HG1 ILE 69 -6.758 -3.246 -4.215 529 1HG2 ILE 69 1HG2 ILE 69 -5.022 -6.177 -3.026 530 2HG2 ILE 69 2HG2 ILE 69 -6.349 -6.917 -2.133 531 3HG2 ILE 69 3HG2 ILE 69 -5.497 -5.534 -1.458 532 1HD1 ILE 69 1HD1 ILE 69 -6.082 -3.104 -1.596 533 2HD1 ILE 69 2HD1 ILE 69 -5.675 -1.893 -2.808 534 3HD1 ILE 69 3HD1 ILE 69 -4.497 -3.128 -2.368 535 H LYS 70 H LYS 70 -9.743 -6.157 -2.894 536 HA LYS 70 HA LYS 70 -9.178 -8.795 -1.993 537 1HB LYS 70 2HB LYS 70 -11.362 -8.715 -0.945 538 2HB LYS 70 1HB LYS 70 -10.504 -7.205 -0.676 539 1HG LYS 70 2HG LYS 70 -11.783 -6.276 -2.630 540 2HG LYS 70 1HG LYS 70 -12.784 -7.723 -2.551 541 1HD LYS 70 2HD LYS 70 -12.329 -6.087 -0.093 542 2HD LYS 70 1HD LYS 70 -13.511 -5.559 -1.291 543 1HE LYS 70 2HE LYS 70 -13.935 -8.318 -0.862 544 2HE LYS 70 1HE LYS 70 -13.766 -7.566 0.724 545 1HZ LYS 70 1HZ LYS 70 -16.067 -7.588 -0.092 546 2HZ LYS 70 2HZ LYS 70 -15.610 -6.620 -1.401 547 3HZ LYS 70 3HZ LYS 70 -15.497 -6.017 0.175 548 H GLN 71 H GLN 71 -10.817 -7.467 -4.719 549 HA GLN 71 HA GLN 71 -12.501 -9.604 -5.367 550 1HB GLN 71 2HB GLN 71 -11.641 -7.161 -6.582 551 2HB GLN 71 1HB GLN 71 -11.657 -8.446 -7.780 552 1HG GLN 71 2HG GLN 71 -13.906 -8.659 -7.732 553 2HG GLN 71 1HG GLN 71 -14.019 -8.247 -6.022 554 1HE2 GLN 71 1HE2 GLN 71 -12.938 -5.839 -5.810 555 2HE2 GLN 71 2HE2 GLN 71 -13.774 -4.677 -6.777 556 H ARG 72 H ARG 72 -9.253 -8.895 -6.546 557 HA ARG 72 HA ARG 72 -9.129 -11.524 -7.801 558 1HB ARG 72 2HB ARG 72 -7.443 -9.056 -8.016 559 2HB ARG 72 1HB ARG 72 -6.872 -10.598 -8.635 560 1HG ARG 72 2HG ARG 72 -8.414 -10.648 -10.328 561 2HG ARG 72 1HG ARG 72 -9.561 -9.624 -9.461 562 1HD ARG 72 2HD ARG 72 -8.500 -7.682 -10.075 563 2HD ARG 72 1HD ARG 72 -6.932 -8.470 -10.262 564 HE ARG 72 HE ARG 72 -8.984 -8.180 -12.260 565 1HH1 ARG 72 1HH1 ARG 72 -6.178 -10.005 -11.267 566 2HH1 ARG 72 2HH1 ARG 72 -5.834 -10.576 -12.864 567 1HH2 ARG 72 1HH2 ARG 72 -8.532 -8.938 -14.356 568 2HH2 ARG 72 2HH2 ARG 72 -7.169 -9.974 -14.615 569 H HIS 73 H HIS 73 -7.319 -9.618 -5.474 570 HA HIS 73 HA HIS 73 -5.621 -11.887 -4.827 571 1HB HIS 73 2HB HIS 73 -5.413 -9.345 -3.290 572 2HB HIS 73 1HB HIS 73 -4.137 -10.377 -3.939 573 HD1 HIS 73 1HD HIS 73 -4.227 -10.312 -6.786 574 HD2 HIS 73 2HD HIS 73 -5.542 -7.021 -4.631 575 HE1 HIS 73 1HE HIS 73 -4.204 -8.393 -8.412 576 HE2 HIS 73 2HE HIS 73 -5.153 -6.450 -7.120 577 HA PRO 74 HA PRO 74 -8.236 -13.329 -1.539 578 1HB PRO 74 2HB PRO 74 -5.683 -14.331 -0.387 579 2HB PRO 74 1HB PRO 74 -7.179 -15.199 -0.747 580 1HG PRO 74 2HG PRO 74 -5.030 -15.483 -2.295 581 2HG PRO 74 1HG PRO 74 -6.661 -15.434 -2.990 582 1HD PRO 74 2HD PRO 74 -4.561 -13.307 -2.931 583 2HD PRO 74 1HD PRO 74 -5.710 -13.724 -4.216 584 H MET 75 H MET 75 -5.072 -12.632 -0.052 585 HA MET 75 HA MET 75 -6.375 -10.593 1.598 586 1HB MET 75 2HB MET 75 -4.656 -12.862 2.592 587 2HB MET 75 1HB MET 75 -5.091 -11.468 3.570 588 1HG MET 75 2HG MET 75 -6.802 -12.733 4.241 589 2HG MET 75 1HG MET 75 -7.532 -12.284 2.700 590 1HE MET 75 1HE MET 75 -8.127 -14.577 4.625 591 2HE MET 75 2HE MET 75 -7.918 -16.186 3.936 592 3HE MET 75 3HE MET 75 -9.021 -15.039 3.177 593 H LEU 76 H LEU 76 -4.894 -9.913 -0.556 594 HA LEU 76 HA LEU 76 -2.145 -9.547 -0.074 595 1HB LEU 76 2HB LEU 76 -3.271 -9.390 -2.296 596 2HB LEU 76 1HB LEU 76 -3.973 -7.865 -1.788 597 HG LEU 76 HG LEU 76 -1.867 -7.860 -3.288 598 1HD1 LEU 76 1HD1 LEU 76 -1.620 -5.707 -2.689 599 2HD1 LEU 76 2HD1 LEU 76 -1.455 -6.089 -0.974 600 3HD1 LEU 76 3HD1 LEU 76 -3.055 -6.052 -1.720 601 1HD2 LEU 76 1HD2 LEU 76 0.162 -8.310 -2.401 602 2HD2 LEU 76 2HD2 LEU 76 -0.781 -9.387 -1.377 603 3HD2 LEU 76 3HD2 LEU 76 -0.307 -7.797 -0.782 604 HA PRO 77 HA PRO 77 -2.706 -6.505 3.242 605 1HB PRO 77 2HB PRO 77 0.245 -6.345 2.922 606 2HB PRO 77 1HB PRO 77 -0.717 -6.612 4.379 607 1HG PRO 77 2HG PRO 77 0.622 -8.621 3.264 608 2HG PRO 77 1HG PRO 77 -0.999 -8.877 3.936 609 1HD PRO 77 2HD PRO 77 -0.162 -8.569 1.077 610 2HD PRO 77 1HD PRO 77 -1.351 -9.679 1.789 611 H VAL 78 H VAL 78 -3.120 -4.404 3.016 612 HA VAL 78 HA VAL 78 -1.617 -2.845 1.024 613 HB VAL 78 HB VAL 78 -4.540 -2.336 1.499 614 1HG1 VAL 78 1HG1 VAL 78 -4.350 -1.383 -0.799 615 2HG1 VAL 78 2HG1 VAL 78 -2.616 -1.686 -0.726 616 3HG1 VAL 78 3HG1 VAL 78 -3.363 -0.566 0.411 617 1HG2 VAL 78 1HG2 VAL 78 -5.247 -3.839 -0.087 618 2HG2 VAL 78 2HG2 VAL 78 -3.948 -4.751 0.671 619 3HG2 VAL 78 3HG2 VAL 78 -3.667 -3.936 -0.862 620 H ILE 79 H ILE 79 -1.451 -0.614 1.430 621 HA ILE 79 HA ILE 79 -2.275 0.274 4.104 622 HB ILE 79 HB ILE 79 0.434 0.919 2.957 623 1HG1 ILE 79 2HG1 ILE 79 0.244 -0.879 5.299 624 2HG1 ILE 79 1HG1 ILE 79 -0.228 -1.586 3.759 625 1HG2 ILE 79 1HG2 ILE 79 -0.990 2.184 4.897 626 2HG2 ILE 79 2HG2 ILE 79 0.769 2.188 4.775 627 3HG2 ILE 79 3HG2 ILE 79 -0.037 1.041 5.846 628 1HD1 ILE 79 1HD1 ILE 79 2.192 -1.823 4.508 629 2HD1 ILE 79 2HD1 ILE 79 2.361 -0.125 4.069 630 3HD1 ILE 79 3HD1 ILE 79 1.893 -1.310 2.849 631 H ILE 80 H ILE 80 -3.536 1.974 3.855 632 HA ILE 80 HA ILE 80 -3.233 3.672 1.499 633 HB ILE 80 HB ILE 80 -5.376 3.856 3.612 634 1HG1 ILE 80 2HG1 ILE 80 -5.392 1.602 2.659 635 2HG1 ILE 80 1HG1 ILE 80 -6.778 2.518 2.075 636 1HG2 ILE 80 1HG2 ILE 80 -5.382 4.754 0.736 637 2HG2 ILE 80 2HG2 ILE 80 -5.019 5.801 2.104 638 3HG2 ILE 80 3HG2 ILE 80 -6.614 5.069 1.956 639 1HD1 ILE 80 1HD1 ILE 80 -5.646 2.917 -0.032 640 2HD1 ILE 80 2HD1 ILE 80 -5.756 1.190 0.312 641 3HD1 ILE 80 3HD1 ILE 80 -4.231 2.042 0.550 642 H MET 81 H MET 81 -2.749 5.853 1.582 643 HA MET 81 HA MET 81 -1.178 6.677 3.805 644 1HB MET 81 2HB MET 81 -0.912 8.798 2.570 645 2HB MET 81 1HB MET 81 -0.557 7.383 1.591 646 1HG MET 81 2HG MET 81 -2.717 7.558 0.511 647 2HG MET 81 1HG MET 81 -3.133 8.932 1.537 648 1HE MET 81 1HE MET 81 -1.425 11.780 0.621 649 2HE MET 81 2HE MET 81 -2.827 10.946 1.289 650 3HE MET 81 3HE MET 81 -2.854 11.520 -0.378 651 H THR 82 H THR 82 -4.465 7.469 2.777 652 HA THR 82 HA THR 82 -4.920 8.692 5.379 653 HB THR 82 HB THR 82 -5.774 10.168 2.906 654 HG1 THR 82 1HG THR 82 -3.967 11.540 3.352 655 1HG2 THR 82 1HG2 THR 82 -5.232 11.848 5.110 656 2HG2 THR 82 2HG2 THR 82 -6.264 10.533 5.669 657 3HG2 THR 82 3HG2 THR 82 -6.772 11.538 4.312 658 H ALA 83 H ALA 83 -7.054 8.764 6.062 659 HA ALA 83 HA ALA 83 -8.869 7.071 4.487 660 1HB ALA 83 1HB ALA 83 -9.616 7.486 7.272 661 2HB ALA 83 2HB ALA 83 -8.039 6.723 7.078 662 3HB ALA 83 3HB ALA 83 -9.470 5.992 6.343 663 H HIS 84 H HIS 84 -9.573 8.848 3.235 664 HA HIS 84 HA HIS 84 -10.691 11.207 4.330 665 1HB HIS 84 2HB HIS 84 -11.191 9.921 1.638 666 2HB HIS 84 1HB HIS 84 -11.593 11.579 2.068 667 HD1 HIS 84 1HD HIS 84 -8.822 12.044 3.612 668 HD2 HIS 84 2HD HIS 84 -9.318 10.680 -0.281 669 HE1 HIS 84 1HE HIS 84 -6.678 12.606 2.425 670 HE2 HIS 84 2HE HIS 84 -7.012 11.799 0.060 671 H SER 85 H SER 85 -13.172 11.398 2.916 672 HA SER 85 HA SER 85 -14.883 10.198 4.883 673 1HB SER 85 2HB SER 85 -15.016 12.531 3.587 674 2HB SER 85 1HB SER 85 -16.031 11.577 2.506 675 HG SER 85 HG SER 85 -17.552 11.770 3.926 676 H ASP 86 H ASP 86 -14.474 7.966 4.335 677 HA ASP 86 HA ASP 86 -16.563 6.733 3.007 678 1HB ASP 86 2HB ASP 86 -15.436 7.679 0.961 679 2HB ASP 86 1HB ASP 86 -14.056 6.654 1.319 680 H LEU 87 H LEU 87 -14.701 6.588 5.319 681 HA LEU 87 HA LEU 87 -12.924 4.537 5.371 682 1HB LEU 87 2HB LEU 87 -14.822 5.640 7.363 683 2HB LEU 87 1HB LEU 87 -14.026 4.130 7.760 684 HG LEU 87 HG LEU 87 -12.581 6.676 7.025 685 1HD1 LEU 87 1HD1 LEU 87 -12.512 7.277 9.190 686 2HD1 LEU 87 2HD1 LEU 87 -12.412 5.612 9.759 687 3HD1 LEU 87 3HD1 LEU 87 -13.974 6.300 9.311 688 1HD2 LEU 87 1HD2 LEU 87 -11.706 3.934 7.857 689 2HD2 LEU 87 2HD2 LEU 87 -10.698 5.343 8.179 690 3HD2 LEU 87 3HD2 LEU 87 -11.130 4.930 6.521 691 H ASP 88 H ASP 88 -16.331 4.220 4.933 692 HA ASP 88 HA ASP 88 -16.914 1.730 5.891 693 1HB ASP 88 2HB ASP 88 -17.836 3.165 3.422 694 2HB ASP 88 1HB ASP 88 -18.414 1.541 3.782 695 H ALA 89 H ALA 89 -15.383 2.467 2.763 696 HA ALA 89 HA ALA 89 -15.120 -0.278 2.049 697 1HB ALA 89 1HB ALA 89 -14.352 0.465 0.050 698 2HB ALA 89 2HB ALA 89 -13.367 1.729 0.779 699 3HB ALA 89 3HB ALA 89 -15.102 1.961 0.606 700 H ALA 90 H ALA 90 -13.274 1.908 3.961 701 HA ALA 90 HA ALA 90 -10.719 0.730 3.693 702 1HB ALA 90 1HB ALA 90 -11.873 2.246 6.031 703 2HB ALA 90 2HB ALA 90 -10.994 2.942 4.675 704 3HB ALA 90 3HB ALA 90 -10.167 1.865 5.797 705 H VAL 91 H VAL 91 -13.424 0.105 5.902 706 HA VAL 91 HA VAL 91 -12.027 -1.727 7.524 707 HB VAL 91 HB VAL 91 -14.999 -1.837 7.083 708 1HG1 VAL 91 1HG1 VAL 91 -14.543 -2.284 9.705 709 2HG1 VAL 91 2HG1 VAL 91 -13.041 -2.907 9.016 710 3HG1 VAL 91 3HG1 VAL 91 -14.594 -3.564 8.489 711 1HG2 VAL 91 1HG2 VAL 91 -13.470 -0.009 8.942 712 2HG2 VAL 91 2HG2 VAL 91 -15.221 -0.197 8.889 713 3HG2 VAL 91 3HG2 VAL 91 -14.368 0.498 7.513 714 H SER 92 H SER 92 -13.960 -2.146 4.598 715 HA SER 92 HA SER 92 -13.943 -4.968 4.595 716 1HB SER 92 2HB SER 92 -14.029 -3.129 2.192 717 2HB SER 92 1HB SER 92 -14.559 -4.810 2.252 718 HG SER 92 HG SER 92 -16.148 -2.937 2.539 719 H ALA 93 H ALA 93 -11.506 -2.667 4.083 720 HA ALA 93 HA ALA 93 -9.840 -4.188 2.357 721 1HB ALA 93 1HB ALA 93 -9.873 -1.660 2.686 722 2HB ALA 93 2HB ALA 93 -8.297 -2.441 2.564 723 3HB ALA 93 3HB ALA 93 -8.928 -1.972 4.142 724 H TYR 94 H TYR 94 -9.646 -3.328 5.770 725 HA TYR 94 HA TYR 94 -7.419 -4.864 6.424 726 1HB TYR 94 2HB TYR 94 -9.626 -4.536 8.420 727 2HB TYR 94 1HB TYR 94 -7.886 -4.437 8.664 728 HD1 TYR 94 1HD TYR 94 -10.744 -2.569 8.763 729 HD2 TYR 94 2HD TYR 94 -6.840 -2.443 7.071 730 HE1 TYR 94 1HE TYR 94 -10.873 -0.114 8.653 731 HE2 TYR 94 2HE TYR 94 -6.960 0.005 6.958 732 HH TYR 94 HH TYR 94 -9.066 1.830 8.617 733 H GLN 95 H GLN 95 -10.771 -5.734 6.200 734 HA GLN 95 HA GLN 95 -10.430 -8.330 7.383 735 1HB GLN 95 2HB GLN 95 -12.736 -8.722 6.803 736 2HB GLN 95 1HB GLN 95 -12.575 -7.094 7.450 737 1HG GLN 95 2HG GLN 95 -13.946 -6.730 5.660 738 2HG GLN 95 1HG GLN 95 -12.363 -6.419 4.956 739 1HE2 GLN 95 1HE2 GLN 95 -13.901 -6.842 3.046 740 2HE2 GLN 95 2HE2 GLN 95 -13.923 -8.469 2.462 741 H GLN 96 H GLN 96 -10.473 -7.043 4.109 742 HA GLN 96 HA GLN 96 -10.481 -9.629 2.890 743 1HB GLN 96 2HB GLN 96 -10.149 -8.467 0.789 744 2HB GLN 96 1HB GLN 96 -11.408 -7.669 1.724 745 1HG GLN 96 2HG GLN 96 -10.305 -5.800 1.217 746 2HG GLN 96 1HG GLN 96 -9.207 -6.291 2.497 747 1HE2 GLN 96 1HE2 GLN 96 -8.005 -4.724 0.926 748 2HE2 GLN 96 2HE2 GLN 96 -7.018 -5.514 -0.252 749 H GLY 97 H GLY 97 -8.086 -7.613 4.279 750 1HA GLY 97 2HA GLY 97 -6.014 -9.235 4.461 751 2HA GLY 97 1HA GLY 97 -5.928 -8.860 2.748 752 H ALA 98 H ALA 98 -6.917 -6.086 3.250 753 HA ALA 98 HA ALA 98 -4.631 -4.650 3.170 754 1HB ALA 98 1HB ALA 98 -5.883 -2.746 3.507 755 2HB ALA 98 2HB ALA 98 -6.907 -3.508 4.723 756 3HB ALA 98 3HB ALA 98 -7.114 -3.909 3.018 757 H PHE 99 H PHE 99 -3.379 -3.399 4.686 758 HA PHE 99 HA PHE 99 -3.018 -4.790 7.182 759 1HB PHE 99 2HB PHE 99 -1.036 -4.181 5.876 760 2HB PHE 99 1HB PHE 99 -1.463 -2.477 6.009 761 HD1 PHE 99 1HD PHE 99 -0.944 -5.412 8.259 762 HD2 PHE 99 2HD PHE 99 -0.333 -1.253 7.591 763 HE1 PHE 99 1HE PHE 99 0.317 -5.263 10.365 764 HE2 PHE 99 2HE PHE 99 0.935 -1.099 9.695 765 HZ PHE 99 HZ PHE 99 1.260 -3.105 11.086 766 H ASP 100 H ASP 100 -3.557 -1.390 6.224 767 HA ASP 100 HA ASP 100 -5.506 -0.766 8.076 768 1HB ASP 100 2HB ASP 100 -3.354 -1.362 9.581 769 2HB ASP 100 1HB ASP 100 -3.009 0.332 9.270 770 H TYR 101 H TYR 101 -5.206 1.732 8.807 771 HA TYR 101 HA TYR 101 -4.460 3.165 6.347 772 1HB TYR 101 2HB TYR 101 -6.784 3.361 8.158 773 2HB TYR 101 1HB TYR 101 -6.107 4.903 7.635 774 HD1 TYR 101 1HD TYR 101 -7.288 1.636 6.303 775 HD2 TYR 101 2HD TYR 101 -6.717 5.788 5.576 776 HE1 TYR 101 1HE TYR 101 -8.477 1.417 4.162 777 HE2 TYR 101 2HE TYR 101 -7.906 5.585 3.433 778 HH TYR 101 HH TYR 101 -9.473 2.583 2.468 779 H LEU 102 H LEU 102 -3.498 5.242 6.568 780 HA LEU 102 HA LEU 102 -1.989 5.510 9.070 781 1HB LEU 102 2HB LEU 102 -0.641 5.202 7.085 782 2HB LEU 102 1HB LEU 102 -1.442 6.545 6.293 783 HG LEU 102 HG LEU 102 -0.480 7.878 8.383 784 1HD1 LEU 102 1HD1 LEU 102 1.526 7.071 9.245 785 2HD1 LEU 102 2HD1 LEU 102 1.698 5.862 7.974 786 3HD1 LEU 102 3HD1 LEU 102 0.484 5.647 9.235 787 1HD2 LEU 102 1HD2 LEU 102 1.491 7.195 6.255 788 2HD2 LEU 102 2HD2 LEU 102 1.039 8.762 6.920 789 3HD2 LEU 102 3HD2 LEU 102 -0.042 7.940 5.802 790 HA PRO 103 HA PRO 103 -4.271 9.163 10.123 791 1HB PRO 103 2HB PRO 103 -2.436 10.360 11.751 792 2HB PRO 103 1HB PRO 103 -3.426 8.982 12.244 793 1HG PRO 103 2HG PRO 103 -0.598 9.034 11.265 794 2HG PRO 103 1HG PRO 103 -1.299 8.116 12.609 795 1HD PRO 103 2HD PRO 103 -0.802 6.987 10.216 796 2HD PRO 103 1HD PRO 103 -2.194 6.506 11.208 797 H LYS 104 H LYS 104 -3.335 11.647 10.670 798 HA LYS 104 HA LYS 104 -3.214 12.948 8.279 799 1HB LYS 104 2HB LYS 104 -2.109 13.763 10.966 800 2HB LYS 104 1HB LYS 104 -2.147 14.854 9.587 801 1HG LYS 104 2HG LYS 104 -4.511 14.847 9.531 802 2HG LYS 104 1HG LYS 104 -4.602 13.487 10.650 803 1HD LYS 104 2HD LYS 104 -3.848 14.822 12.468 804 2HD LYS 104 1HD LYS 104 -3.402 16.148 11.392 805 1HE LYS 104 2HE LYS 104 -5.756 16.480 10.824 806 2HE LYS 104 1HE LYS 104 -6.206 15.146 11.882 807 1HZ LYS 104 1HZ LYS 104 -6.091 16.450 13.668 808 2HZ LYS 104 2HZ LYS 104 -6.074 17.759 12.599 809 3HZ LYS 104 3HZ LYS 104 -4.618 17.142 13.201 810 HA PRO 105 HA PRO 105 1.706 13.310 8.616 811 1HB PRO 105 2HB PRO 105 2.670 11.006 9.905 812 2HB PRO 105 1HB PRO 105 2.695 12.651 10.543 813 1HG PRO 105 2HG PRO 105 0.788 10.435 11.079 814 2HG PRO 105 1HG PRO 105 1.355 11.721 12.159 815 1HD PRO 105 2HD PRO 105 -1.099 11.771 11.084 816 2HD PRO 105 1HD PRO 105 -0.164 13.261 11.325 817 H PHE 106 H PHE 106 3.291 12.058 7.346 818 HA PHE 106 HA PHE 106 2.559 9.516 6.288 819 1HB PHE 106 2HB PHE 106 0.999 10.905 5.001 820 2HB PHE 106 1HB PHE 106 2.340 11.893 4.427 821 HD1 PHE 106 1HD PHE 106 0.989 8.441 4.388 822 HD2 PHE 106 2HD PHE 106 3.517 11.279 2.482 823 HE1 PHE 106 1HE PHE 106 1.292 6.894 2.506 824 HE2 PHE 106 2HE PHE 106 3.824 9.737 0.592 825 HZ PHE 106 HZ PHE 106 2.709 7.541 0.602 826 H ASP 107 H ASP 107 4.157 11.722 4.118 827 HA ASP 107 HA ASP 107 6.245 11.533 3.191 828 1HB ASP 107 2HB ASP 107 7.909 12.461 4.585 829 2HB ASP 107 1HB ASP 107 6.390 13.111 5.187 830 H ILE 108 H ILE 108 8.630 10.534 3.771 831 HA ILE 108 HA ILE 108 8.250 7.740 3.543 832 HB ILE 108 HB ILE 108 10.424 9.557 3.201 833 1HG1 ILE 108 2HG1 ILE 108 11.195 7.877 1.653 834 2HG1 ILE 108 1HG1 ILE 108 10.188 6.653 2.416 835 1HG2 ILE 108 1HG2 ILE 108 12.254 8.004 3.868 836 2HG2 ILE 108 2HG2 ILE 108 11.056 7.063 4.756 837 3HG2 ILE 108 3HG2 ILE 108 11.390 8.729 5.225 838 1HD1 ILE 108 1HD1 ILE 108 9.408 7.686 0.204 839 2HD1 ILE 108 2HD1 ILE 108 8.973 9.090 1.178 840 3HD1 ILE 108 3HD1 ILE 108 8.235 7.522 1.513 841 H ASP 109 H ASP 109 9.417 9.780 6.126 842 HA ASP 109 HA ASP 109 10.282 7.926 7.949 843 1HB ASP 109 2HB ASP 109 10.242 10.484 8.136 844 2HB ASP 109 1HB ASP 109 8.622 10.289 8.798 845 H GLU 110 H GLU 110 6.938 9.234 7.884 846 HA GLU 110 HA GLU 110 6.041 7.223 9.692 847 1HB GLU 110 2HB GLU 110 4.464 9.235 8.089 848 2HB GLU 110 1HB GLU 110 3.792 8.192 9.332 849 1HG GLU 110 2HG GLU 110 6.105 9.895 10.052 850 2HG GLU 110 1HG GLU 110 4.539 10.672 9.827 851 H ALA 111 H ALA 111 6.137 7.536 6.244 852 HA ALA 111 HA ALA 111 4.175 5.551 5.692 853 1HB ALA 111 1HB ALA 111 6.387 6.703 4.005 854 2HB ALA 111 2HB ALA 111 4.670 7.106 3.959 855 3HB ALA 111 3HB ALA 111 5.218 5.523 3.410 856 H VAL 112 H VAL 112 7.731 5.492 5.405 857 HA VAL 112 HA VAL 112 7.968 2.723 5.050 858 HB VAL 112 HB VAL 112 9.977 4.565 6.349 859 1HG1 VAL 112 1HG1 VAL 112 11.070 2.420 4.773 860 2HG1 VAL 112 2HG1 VAL 112 9.997 1.787 6.023 861 3HG1 VAL 112 3HG1 VAL 112 11.353 2.825 6.466 862 1HG2 VAL 112 1HG2 VAL 112 10.860 4.224 3.815 863 2HG2 VAL 112 2HG2 VAL 112 9.888 5.596 4.347 864 3HG2 VAL 112 3HG2 VAL 112 9.116 4.225 3.555 865 H ALA 113 H ALA 113 7.613 4.686 7.880 866 HA ALA 113 HA ALA 113 8.419 2.830 9.837 867 1HB ALA 113 1HB ALA 113 6.358 5.018 10.048 868 2HB ALA 113 2HB ALA 113 8.093 5.216 10.300 869 3HB ALA 113 3HB ALA 113 7.153 4.209 11.399 870 H LEU 114 H LEU 114 5.289 3.599 8.418 871 HA LEU 114 HA LEU 114 3.864 1.625 9.881 872 1HB LEU 114 2HB LEU 114 2.799 3.671 9.078 873 2HB LEU 114 1HB LEU 114 3.097 3.181 7.420 874 HG LEU 114 HG LEU 114 1.618 1.202 7.800 875 1HD1 LEU 114 1HD1 LEU 114 0.005 1.675 9.819 876 2HD1 LEU 114 2HD1 LEU 114 1.432 2.472 10.484 877 3HD1 LEU 114 3HD1 LEU 114 1.501 0.767 10.042 878 1HD2 LEU 114 1HD2 LEU 114 0.052 3.660 8.441 879 2HD2 LEU 114 2HD2 LEU 114 -0.297 2.372 7.288 880 3HD2 LEU 114 3HD2 LEU 114 0.945 3.569 6.923 881 H VAL 115 H VAL 115 5.661 1.616 6.933 882 HA VAL 115 HA VAL 115 4.351 -0.707 5.872 883 HB VAL 115 HB VAL 115 5.546 1.109 4.500 884 1HG1 VAL 115 1HG1 VAL 115 7.942 -0.652 4.942 885 2HG1 VAL 115 2HG1 VAL 115 7.693 0.865 5.795 886 3HG1 VAL 115 3HG1 VAL 115 7.849 0.862 4.044 887 1HG2 VAL 115 1HG2 VAL 115 4.562 -0.915 3.555 888 2HG2 VAL 115 2HG2 VAL 115 6.048 -1.801 3.896 889 3HG2 VAL 115 3HG2 VAL 115 6.057 -0.482 2.726 890 H GLU 116 H GLU 116 7.405 -0.068 7.549 891 HA GLU 116 HA GLU 116 8.438 -2.682 7.362 892 1HB GLU 116 2HB GLU 116 8.941 -0.466 9.347 893 2HB GLU 116 1HB GLU 116 9.829 -1.984 9.355 894 1HG GLU 116 2HG GLU 116 10.529 -1.515 7.018 895 2HG GLU 116 1HG GLU 116 9.761 0.066 7.157 896 H ARG 117 H ARG 117 6.446 -1.112 9.839 897 HA ARG 117 HA ARG 117 6.427 -3.284 11.631 898 1HB ARG 117 2HB ARG 117 4.531 -2.190 12.688 899 2HB ARG 117 1HB ARG 117 5.766 -1.006 12.279 900 1HG ARG 117 2HG ARG 117 4.460 0.041 10.766 901 2HG ARG 117 1HG ARG 117 3.652 -1.445 10.267 902 1HD ARG 117 2HD ARG 117 1.902 -0.637 11.414 903 2HD ARG 117 1HD ARG 117 2.788 -1.180 12.839 904 HE ARG 117 HE ARG 117 3.702 1.362 12.296 905 1HH1 ARG 117 1HH1 ARG 117 0.641 -0.120 13.084 906 2HH1 ARG 117 2HH1 ARG 117 0.015 1.295 13.859 907 1HH2 ARG 117 1HH2 ARG 117 2.876 3.220 13.320 908 2HH2 ARG 117 2HH2 ARG 117 1.281 3.188 13.992 909 H ALA 118 H ALA 118 4.747 -2.683 8.694 910 HA ALA 118 HA ALA 118 2.560 -4.440 9.118 911 1HB ALA 118 1HB ALA 118 3.431 -2.658 7.082 912 2HB ALA 118 2HB ALA 118 1.849 -3.410 7.284 913 3HB ALA 118 3HB ALA 118 3.098 -4.225 6.345 914 H ILE 119 H ILE 119 5.692 -4.764 7.486 915 HA ILE 119 HA ILE 119 5.325 -7.393 6.566 916 HB ILE 119 HB ILE 119 7.928 -6.072 7.327 917 1HG1 ILE 119 2HG1 ILE 119 7.053 -6.172 4.502 918 2HG1 ILE 119 1HG1 ILE 119 6.174 -5.055 5.544 919 1HG2 ILE 119 1HG2 ILE 119 8.272 -8.405 7.003 920 2HG2 ILE 119 2HG2 ILE 119 8.836 -7.583 5.547 921 3HG2 ILE 119 3HG2 ILE 119 7.278 -8.409 5.545 922 1HD1 ILE 119 1HD1 ILE 119 8.074 -4.016 4.378 923 2HD1 ILE 119 2HD1 ILE 119 9.162 -5.113 5.230 924 3HD1 ILE 119 3HD1 ILE 119 8.209 -3.937 6.134 925 H SER 120 H SER 120 6.309 -6.083 9.617 926 HA SER 120 HA SER 120 7.322 -8.489 10.739 927 1HB SER 120 2HB SER 120 6.471 -5.837 11.870 928 2HB SER 120 1HB SER 120 6.884 -7.178 12.939 929 HG SER 120 HG SER 120 8.708 -5.903 12.523 930 H HIS 121 H HIS 121 4.278 -6.715 11.259 931 HA HIS 121 HA HIS 121 3.063 -8.614 12.907 932 1HB HIS 121 2HB HIS 121 1.992 -6.449 11.122 933 2HB HIS 121 1HB HIS 121 0.895 -7.523 11.987 934 HD1 HIS 121 1HD HIS 121 4.098 -6.084 13.398 935 HD2 HIS 121 2HD HIS 121 -0.018 -5.750 13.872 936 HE1 HIS 121 1HE HIS 121 3.770 -4.640 15.430 937 HE2 HIS 121 2HE HIS 121 1.274 -4.378 15.644 938 H TYR 122 H TYR 122 3.462 -8.498 9.481 939 HA TYR 122 HA TYR 122 1.449 -10.417 8.853 940 1HB TYR 122 2HB TYR 122 2.662 -8.601 7.347 941 2HB TYR 122 1HB TYR 122 3.756 -9.942 7.024 942 HD1 TYR 122 1HD TYR 122 3.302 -10.586 4.831 943 HD2 TYR 122 2HD TYR 122 0.062 -9.953 7.515 944 HE1 TYR 122 1HE TYR 122 1.739 -11.453 3.142 945 HE2 TYR 122 2HE TYR 122 -1.508 -10.820 5.834 946 HH TYR 122 HH TYR 122 -0.610 -11.343 2.575 947 H GLN 123 H GLN 123 5.014 -10.559 8.759 948 HA GLN 123 HA GLN 123 6.472 -12.296 8.964 949 1HB GLN 123 2HB GLN 123 4.929 -12.376 11.151 950 2HB GLN 123 1HB GLN 123 4.507 -13.943 10.473 951 1HG GLN 123 2HG GLN 123 6.704 -14.732 10.640 952 2HG GLN 123 1HG GLN 123 7.359 -13.110 10.863 953 1HE2 GLN 123 1HE2 GLN 123 8.290 -13.223 12.800 954 2HE2 GLN 123 2HE2 GLN 123 7.495 -13.683 14.263 955 H GLU 124 H GLU 124 6.573 -14.854 8.751 956 HA GLU 124 HA GLU 124 4.605 -15.884 6.881 957 1HB GLU 124 2HB GLU 124 6.612 -14.565 5.738 958 2HB GLU 124 1HB GLU 124 7.434 -16.100 5.976 959 1HG GLU 124 2HG GLU 124 4.742 -16.154 4.738 960 2HG GLU 124 1HG GLU 124 6.083 -15.540 3.773 Start of MODEL 3 1 1H MET 1 1HT MET 1 12.058 -19.025 3.647 2 2H MET 1 2HT MET 1 13.387 -17.944 3.750 3 3H MET 1 3HT MET 1 13.474 -19.320 2.728 4 HA MET 1 HA MET 1 13.063 -17.652 1.272 5 1HB MET 1 2HB MET 1 11.328 -19.634 1.496 6 2HB MET 1 1HB MET 1 10.223 -18.334 1.922 7 1HG MET 1 2HG MET 1 9.871 -18.068 -0.246 8 2HG MET 1 1HG MET 1 11.499 -17.402 -0.344 9 1HE MET 1 1HE MET 1 9.062 -20.006 -1.073 10 2HE MET 1 2HE MET 1 9.954 -21.288 -0.255 11 3HE MET 1 3HE MET 1 9.884 -21.248 -2.017 12 H GLN 2 H GLN 2 13.576 -15.613 2.052 13 HA GLN 2 HA GLN 2 11.947 -14.137 3.832 14 1HB GLN 2 2HB GLN 2 14.456 -13.826 3.066 15 2HB GLN 2 1HB GLN 2 13.725 -12.754 1.881 16 1HG GLN 2 2HG GLN 2 14.094 -11.240 3.510 17 2HG GLN 2 1HG GLN 2 12.520 -11.819 4.059 18 1HE2 GLN 2 1HE2 GLN 2 14.841 -10.657 5.501 19 2HE2 GLN 2 2HE2 GLN 2 15.210 -11.795 6.749 20 H ARG 3 H ARG 3 12.606 -13.446 0.442 21 HA ARG 3 HA ARG 3 11.374 -12.479 -1.204 22 1HB ARG 3 2HB ARG 3 10.015 -14.593 -0.649 23 2HB ARG 3 1HB ARG 3 8.905 -13.504 0.172 24 1HG ARG 3 2HG ARG 3 7.941 -12.959 -1.743 25 2HG ARG 3 1HG ARG 3 9.492 -12.482 -2.437 26 1HD ARG 3 2HD ARG 3 8.633 -15.357 -2.261 27 2HD ARG 3 1HD ARG 3 8.190 -14.329 -3.621 28 HE ARG 3 HE ARG 3 11.002 -14.772 -2.871 29 1HH1 ARG 3 1HH1 ARG 3 8.453 -14.792 -5.267 30 2HH1 ARG 3 2HH1 ARG 3 9.531 -15.106 -6.583 31 1HH2 ARG 3 1HH2 ARG 3 12.409 -15.185 -4.605 32 2HH2 ARG 3 2HH2 ARG 3 11.773 -15.328 -6.210 33 H GLY 4 H GLY 4 12.114 -10.567 0.335 34 1HA GLY 4 2HA GLY 4 9.901 -9.129 1.536 35 2HA GLY 4 1HA GLY 4 11.569 -8.579 1.426 36 H ILE 5 H ILE 5 8.517 -8.856 -0.285 37 HA ILE 5 HA ILE 5 9.526 -6.957 -2.300 38 HB ILE 5 HB ILE 5 7.004 -8.555 -2.620 39 1HG1 ILE 5 2HG1 ILE 5 8.487 -10.338 -2.297 40 2HG1 ILE 5 1HG1 ILE 5 8.504 -10.117 -4.041 41 1HG2 ILE 5 1HG2 ILE 5 8.332 -6.604 -4.141 42 2HG2 ILE 5 2HG2 ILE 5 6.924 -7.562 -4.600 43 3HG2 ILE 5 3HG2 ILE 5 8.543 -8.132 -4.997 44 1HD1 ILE 5 1HD1 ILE 5 10.565 -8.523 -3.283 45 2HD1 ILE 5 2HD1 ILE 5 10.719 -10.205 -3.789 46 3HD1 ILE 5 3HD1 ILE 5 10.644 -9.805 -2.073 47 H VAL 6 H VAL 6 8.943 -4.928 -1.864 48 HA VAL 6 HA VAL 6 6.307 -4.451 -0.645 49 HB VAL 6 HB VAL 6 8.100 -3.550 0.721 50 1HG1 VAL 6 1HG1 VAL 6 9.466 -3.157 -1.581 51 2HG1 VAL 6 2HG1 VAL 6 9.889 -2.423 -0.043 52 3HG1 VAL 6 3HG1 VAL 6 8.948 -1.513 -1.223 53 1HG2 VAL 6 1HG2 VAL 6 7.175 -1.004 -0.395 54 2HG2 VAL 6 2HG2 VAL 6 6.951 -1.686 1.215 55 3HG2 VAL 6 3HG2 VAL 6 5.884 -2.171 -0.102 56 H TRP 7 H TRP 7 4.780 -3.560 -1.862 57 HA TRP 7 HA TRP 7 5.623 -2.175 -4.319 58 1HB TRP 7 2HB TRP 7 3.360 -4.060 -3.777 59 2HB TRP 7 1HB TRP 7 3.189 -2.845 -5.041 60 HD1 TRP 7 HD1 TRP 7 6.694 -4.083 -4.713 61 HE1 TRP 7 1HE TRP 7 7.262 -5.672 -6.647 62 HE3 TRP 7 3HE TRP 7 1.990 -4.804 -6.562 63 HZ2 TRP 7 2HZ TRP 7 5.891 -7.065 -8.682 64 HZ3 TRP 7 3HZ TRP 7 1.698 -6.284 -8.505 65 HH2 TRP 7 HH2 TRP 7 3.612 -7.392 -9.541 66 H VAL 8 H VAL 8 4.879 -0.181 -4.723 67 HA VAL 8 HA VAL 8 2.956 0.979 -2.815 68 HB VAL 8 HB VAL 8 5.014 2.734 -4.054 69 1HG1 VAL 8 1HG1 VAL 8 4.019 4.146 -2.669 70 2HG1 VAL 8 2HG1 VAL 8 4.745 3.260 -1.330 71 3HG1 VAL 8 3HG1 VAL 8 3.128 2.843 -1.887 72 1HG2 VAL 8 1HG2 VAL 8 5.743 0.449 -2.461 73 2HG2 VAL 8 2HG2 VAL 8 6.157 1.942 -1.623 74 3HG2 VAL 8 3HG2 VAL 8 6.774 1.644 -3.248 75 H VAL 9 H VAL 9 1.491 2.519 -3.636 76 HA VAL 9 HA VAL 9 1.560 2.862 -6.562 77 HB VAL 9 HB VAL 9 -0.957 2.693 -4.891 78 1HG1 VAL 9 1HG1 VAL 9 -1.143 2.371 -7.782 79 2HG1 VAL 9 2HG1 VAL 9 -0.551 3.959 -7.291 80 3HG1 VAL 9 3HG1 VAL 9 -2.100 3.371 -6.688 81 1HG2 VAL 9 1HG2 VAL 9 -0.731 0.650 -6.918 82 2HG2 VAL 9 2HG2 VAL 9 -0.977 0.482 -5.171 83 3HG2 VAL 9 3HG2 VAL 9 0.659 0.586 -5.821 84 H ASP 10 H ASP 10 2.100 4.889 -6.995 85 HA ASP 10 HA ASP 10 0.657 7.100 -5.844 86 1HB ASP 10 2HB ASP 10 2.761 8.205 -4.985 87 2HB ASP 10 1HB ASP 10 2.220 6.817 -4.052 88 H ASP 11 H ASP 11 2.628 9.077 -6.470 89 HA ASP 11 HA ASP 11 2.206 9.267 -9.280 90 1HB ASP 11 2HB ASP 11 2.389 11.117 -7.364 91 2HB ASP 11 1HB ASP 11 4.060 11.145 -7.918 92 H ASP 12 H ASP 12 4.142 7.185 -8.109 93 HA ASP 12 HA ASP 12 6.184 6.291 -8.537 94 1HB ASP 12 2HB ASP 12 6.681 6.063 -10.896 95 2HB ASP 12 1HB ASP 12 4.940 5.973 -10.663 96 H SER 13 H SER 13 8.132 7.165 -10.508 97 HA SER 13 HA SER 13 10.152 8.188 -10.283 98 1HB SER 13 2HB SER 13 9.987 10.435 -11.094 99 2HB SER 13 1HB SER 13 8.709 9.457 -11.827 100 HG SER 13 HG SER 13 7.304 10.323 -10.173 101 H SER 14 H SER 14 8.689 10.993 -8.876 102 HA SER 14 HA SER 14 10.603 11.380 -6.936 103 1HB SER 14 2HB SER 14 8.496 12.824 -7.801 104 2HB SER 14 1HB SER 14 7.882 12.306 -6.230 105 HG SER 14 HG SER 14 10.033 13.972 -6.847 106 H ILE 15 H ILE 15 7.288 10.220 -6.261 107 HA ILE 15 HA ILE 15 7.850 9.502 -3.600 108 HB ILE 15 HB ILE 15 5.690 8.266 -5.296 109 1HG1 ILE 15 2HG1 ILE 15 5.672 10.748 -5.494 110 2HG1 ILE 15 1HG1 ILE 15 4.247 10.113 -4.680 111 1HG2 ILE 15 1HG2 ILE 15 5.709 8.893 -2.354 112 2HG2 ILE 15 2HG2 ILE 15 6.178 7.329 -3.021 113 3HG2 ILE 15 3HG2 ILE 15 4.533 7.927 -3.243 114 1HD1 ILE 15 1HD1 ILE 15 5.279 12.184 -3.689 115 2HD1 ILE 15 2HD1 ILE 15 6.628 11.164 -3.188 116 3HD1 ILE 15 3HD1 ILE 15 5.006 10.843 -2.576 117 H ARG 16 H ARG 16 8.402 7.900 -6.595 118 HA ARG 16 HA ARG 16 8.620 5.251 -5.528 119 1HB ARG 16 2HB ARG 16 8.100 5.756 -7.923 120 2HB ARG 16 1HB ARG 16 9.747 6.339 -8.113 121 1HG ARG 16 2HG ARG 16 10.359 3.967 -7.180 122 2HG ARG 16 1HG ARG 16 8.751 3.561 -7.766 123 1HD ARG 16 2HD ARG 16 9.810 4.970 -9.864 124 2HD ARG 16 1HD ARG 16 11.206 4.089 -9.242 125 HE ARG 16 HE ARG 16 9.082 3.000 -10.733 126 1HH1 ARG 16 1HH1 ARG 16 11.117 2.281 -7.988 127 2HH1 ARG 16 2HH1 ARG 16 10.938 0.565 -8.147 128 1HH2 ARG 16 1HH2 ARG 16 8.848 0.742 -10.940 129 2HH2 ARG 16 2HH2 ARG 16 9.656 -0.308 -9.825 130 H TRP 17 H TRP 17 10.963 7.680 -6.643 131 HA TRP 17 HA TRP 17 13.274 6.246 -6.078 132 1HB TRP 17 2HB TRP 17 13.097 8.375 -7.419 133 2HB TRP 17 1HB TRP 17 13.045 9.243 -5.887 134 HD1 TRP 17 HD1 TRP 17 15.411 7.025 -7.963 135 HE1 TRP 17 1HE TRP 17 17.828 7.504 -7.218 136 HE3 TRP 17 3HE TRP 17 14.445 10.156 -4.041 137 HZ2 TRP 17 2HZ TRP 17 19.150 9.009 -5.230 138 HZ3 TRP 17 3HZ TRP 17 16.342 11.072 -2.768 139 HH2 TRP 17 HH2 TRP 17 18.645 10.509 -3.351 140 H VAL 18 H VAL 18 11.342 8.315 -3.968 141 HA VAL 18 HA VAL 18 13.212 8.379 -1.852 142 HB VAL 18 HB VAL 18 10.242 8.692 -1.524 143 1HG1 VAL 18 1HG1 VAL 18 10.698 9.760 0.449 144 2HG1 VAL 18 2HG1 VAL 18 12.306 10.265 -0.069 145 3HG1 VAL 18 3HG1 VAL 18 12.019 8.592 0.407 146 1HG2 VAL 18 1HG2 VAL 18 11.476 11.219 -1.780 147 2HG2 VAL 18 2HG2 VAL 18 10.268 10.483 -2.833 148 3HG2 VAL 18 3HG2 VAL 18 11.986 10.248 -3.164 149 H LEU 19 H LEU 19 10.411 6.348 -2.468 150 HA LEU 19 HA LEU 19 10.811 4.882 -0.039 151 1HB LEU 19 2HB LEU 19 8.630 5.358 -1.670 152 2HB LEU 19 1HB LEU 19 8.976 3.658 -1.926 153 HG LEU 19 HG LEU 19 8.804 3.244 0.481 154 1HD1 LEU 19 1HD1 LEU 19 8.257 6.200 0.608 155 2HD1 LEU 19 2HD1 LEU 19 9.550 5.305 1.405 156 3HD1 LEU 19 3HD1 LEU 19 7.878 5.079 1.915 157 1HD2 LEU 19 1HD2 LEU 19 6.736 3.798 -1.283 158 2HD2 LEU 19 2HD2 LEU 19 6.299 4.664 0.190 159 3HD2 LEU 19 3HD2 LEU 19 6.615 2.929 0.246 160 H GLU 20 H GLU 20 11.659 4.480 -3.377 161 HA GLU 20 HA GLU 20 12.066 1.693 -3.262 162 1HB GLU 20 2HB GLU 20 13.104 1.835 -5.376 163 2HB GLU 20 1HB GLU 20 11.803 3.006 -5.370 164 1HG GLU 20 2HG GLU 20 13.490 4.768 -4.917 165 2HG GLU 20 1HG GLU 20 14.744 3.546 -5.115 166 H ARG 21 H ARG 21 14.494 4.274 -3.322 167 HA ARG 21 HA ARG 21 16.679 2.639 -2.741 168 1HB ARG 21 2HB ARG 21 16.219 5.582 -2.282 169 2HB ARG 21 1HB ARG 21 17.766 4.797 -1.985 170 1HG ARG 21 2HG ARG 21 16.666 4.205 -4.617 171 2HG ARG 21 1HG ARG 21 16.961 5.925 -4.350 172 1HD ARG 21 2HD ARG 21 19.265 5.391 -3.649 173 2HD ARG 21 1HD ARG 21 18.956 3.692 -3.995 174 HE ARG 21 HE ARG 21 18.971 5.833 -6.023 175 1HH1 ARG 21 1HH1 ARG 21 19.477 2.490 -5.108 176 2HH1 ARG 21 2HH1 ARG 21 20.063 2.032 -6.670 177 1HH2 ARG 21 1HH2 ARG 21 19.738 5.213 -8.066 178 2HH2 ARG 21 2HH2 ARG 21 20.208 3.568 -8.345 179 H ALA 22 H ALA 22 14.788 4.683 -0.506 180 HA ALA 22 HA ALA 22 16.160 4.033 1.817 181 1HB ALA 22 1HB ALA 22 14.730 5.781 2.172 182 2HB ALA 22 2HB ALA 22 13.781 4.473 2.874 183 3HB ALA 22 3HB ALA 22 13.428 5.041 1.243 184 H LEU 23 H LEU 23 13.242 2.540 0.537 185 HA LEU 23 HA LEU 23 13.142 0.521 2.517 186 1HB LEU 23 2HB LEU 23 11.297 1.396 0.897 187 2HB LEU 23 1HB LEU 23 11.932 0.185 -0.199 188 HG LEU 23 HG LEU 23 11.094 -1.560 1.020 189 1HD1 LEU 23 1HD1 LEU 23 10.434 -1.289 3.474 190 2HD1 LEU 23 2HD1 LEU 23 11.381 0.199 3.430 191 3HD1 LEU 23 3HD1 LEU 23 12.155 -1.349 3.093 192 1HD2 LEU 23 1HD2 LEU 23 9.068 0.136 2.252 193 2HD2 LEU 23 2HD2 LEU 23 8.911 -1.132 1.043 194 3HD2 LEU 23 3HD2 LEU 23 9.363 0.495 0.551 195 H ALA 24 H ALA 24 14.876 0.885 -0.436 196 HA ALA 24 HA ALA 24 15.453 -1.856 -0.885 197 1HB ALA 24 1HB ALA 24 15.725 -0.115 -2.628 198 2HB ALA 24 2HB ALA 24 17.178 -1.086 -2.397 199 3HB ALA 24 3HB ALA 24 17.086 0.541 -1.721 200 H GLY 25 H GLY 25 16.868 0.732 1.020 201 1HA GLY 25 2HA GLY 25 19.276 -0.569 1.726 202 2HA GLY 25 1HA GLY 25 18.490 0.708 2.647 203 H ALA 26 H ALA 26 15.995 -0.934 2.806 204 HA ALA 26 HA ALA 26 16.643 -2.292 5.235 205 1HB ALA 26 1HB ALA 26 14.139 -1.681 3.750 206 2HB ALA 26 2HB ALA 26 14.581 -1.313 5.416 207 3HB ALA 26 3HB ALA 26 14.113 -2.954 4.972 208 H GLY 27 H GLY 27 16.544 -3.181 1.946 209 1HA GLY 27 2HA GLY 27 17.428 -5.268 1.238 210 2HA GLY 27 1HA GLY 27 16.871 -5.981 2.739 211 H LEU 28 H LEU 28 14.704 -3.981 0.808 212 HA LEU 28 HA LEU 28 13.390 -6.443 -0.077 213 1HB LEU 28 2HB LEU 28 11.637 -4.137 0.420 214 2HB LEU 28 1HB LEU 28 11.361 -5.842 0.713 215 HG LEU 28 HG LEU 28 13.136 -5.390 2.651 216 1HD1 LEU 28 1HD1 LEU 28 12.197 -3.096 3.564 217 2HD1 LEU 28 2HD1 LEU 28 12.169 -2.759 1.833 218 3HD1 LEU 28 3HD1 LEU 28 13.675 -3.233 2.615 219 1HD2 LEU 28 1HD2 LEU 28 10.579 -4.403 3.528 220 2HD2 LEU 28 2HD2 LEU 28 11.394 -5.916 3.923 221 3HD2 LEU 28 3HD2 LEU 28 10.401 -5.802 2.469 222 H THR 29 H THR 29 11.669 -5.966 -1.796 223 HA THR 29 HA THR 29 12.914 -4.239 -3.819 224 HB THR 29 HB THR 29 10.957 -6.534 -4.036 225 HG1 THR 29 1HG THR 29 13.328 -6.839 -3.768 226 1HG2 THR 29 1HG2 THR 29 11.493 -4.426 -5.961 227 2HG2 THR 29 2HG2 THR 29 10.237 -5.663 -5.951 228 3HG2 THR 29 3HG2 THR 29 11.840 -6.039 -6.584 229 H CYS 30 H CYS 30 12.125 -2.239 -3.679 230 HA CYS 30 HA CYS 30 9.269 -1.825 -3.172 231 1HB CYS 30 2HB CYS 30 10.820 -0.615 -1.742 232 2HB CYS 30 1HB CYS 30 11.582 0.102 -3.153 233 HG CYS 30 HG CYS 30 8.606 0.763 -2.649 234 H THR 31 H THR 31 8.034 -1.732 -4.934 235 HA THR 31 HA THR 31 9.012 -0.150 -7.213 236 HB THR 31 HB THR 31 8.813 -2.724 -7.583 237 HG1 THR 31 1HG THR 31 7.380 -0.989 -9.311 238 1HG2 THR 31 1HG2 THR 31 6.318 -2.490 -6.614 239 2HG2 THR 31 2HG2 THR 31 6.828 -3.735 -7.753 240 3HG2 THR 31 3HG2 THR 31 6.013 -2.290 -8.338 241 H THR 32 H THR 32 7.418 1.186 -8.200 242 HA THR 32 HA THR 32 5.015 1.477 -6.548 243 HB THR 32 HB THR 32 5.090 3.875 -7.038 244 HG1 THR 32 1HG THR 32 6.613 4.707 -8.297 245 1HG2 THR 32 1HG2 THR 32 6.701 2.520 -5.280 246 2HG2 THR 32 2HG2 THR 32 6.451 4.270 -5.323 247 3HG2 THR 32 3HG2 THR 32 7.837 3.555 -6.144 248 H PHE 33 H PHE 33 3.176 2.616 -7.644 249 HA PHE 33 HA PHE 33 2.995 1.910 -10.490 250 1HB PHE 33 2HB PHE 33 0.971 1.227 -8.352 251 2HB PHE 33 1HB PHE 33 0.769 0.956 -10.072 252 HD1 PHE 33 1HD PHE 33 1.190 -1.171 -10.862 253 HD2 PHE 33 2HD PHE 33 3.239 0.179 -7.391 254 HE1 PHE 33 1HE PHE 33 2.275 -3.364 -10.649 255 HE2 PHE 33 2HE PHE 33 4.338 -2.003 -7.176 256 HZ PHE 33 HZ PHE 33 3.850 -3.790 -8.809 257 H GLU 34 H GLU 34 0.893 2.810 -11.482 258 HA GLU 34 HA GLU 34 0.867 5.618 -11.100 259 1HB GLU 34 2HB GLU 34 -0.875 5.649 -12.820 260 2HB GLU 34 1HB GLU 34 0.473 4.619 -13.282 261 1HG GLU 34 2HG GLU 34 -1.166 3.200 -13.854 262 2HG GLU 34 1HG GLU 34 -1.113 2.792 -12.147 263 H ASN 35 H ASN 35 -1.700 3.194 -10.522 264 HA ASN 35 HA ASN 35 -2.621 4.689 -8.261 265 1HB ASN 35 2HB ASN 35 -4.412 4.372 -10.676 266 2HB ASN 35 1HB ASN 35 -4.946 4.923 -9.094 267 1HD2 ASN 35 1HD2 ASN 35 -4.523 6.986 -8.451 268 2HD2 ASN 35 2HD2 ASN 35 -3.842 8.186 -9.490 269 H GLY 36 H GLY 36 -4.884 3.588 -7.587 270 1HA GLY 36 2HA GLY 36 -4.266 1.097 -6.624 271 2HA GLY 36 1HA GLY 36 -5.905 1.692 -6.808 272 H ASN 37 H ASN 37 -5.179 1.780 -9.883 273 HA ASN 37 HA ASN 37 -6.217 -0.863 -10.334 274 1HB ASN 37 2HB ASN 37 -6.254 1.649 -11.742 275 2HB ASN 37 1HB ASN 37 -5.787 0.336 -12.818 276 1HD2 ASN 37 1HD2 ASN 37 -7.907 0.094 -10.017 277 2HD2 ASN 37 2HD2 ASN 37 -9.329 -0.325 -10.903 278 H GLU 38 H GLU 38 -3.255 0.897 -10.964 279 HA GLU 38 HA GLU 38 -2.038 -0.795 -12.775 280 1HB GLU 38 2HB GLU 38 -1.296 1.456 -11.775 281 2HB GLU 38 1HB GLU 38 -0.490 0.476 -10.573 282 1HG GLU 38 2HG GLU 38 1.234 0.590 -12.001 283 2HG GLU 38 1HG GLU 38 0.386 -0.724 -12.814 284 H VAL 39 H VAL 39 -1.373 -0.882 -9.205 285 HA VAL 39 HA VAL 39 0.195 -3.144 -9.254 286 HB VAL 39 HB VAL 39 -1.735 -2.244 -7.121 287 1HG1 VAL 39 1HG1 VAL 39 -0.665 -3.807 -5.607 288 2HG1 VAL 39 2HG1 VAL 39 0.357 -4.405 -6.908 289 3HG1 VAL 39 3HG1 VAL 39 -1.379 -4.674 -6.958 290 1HG2 VAL 39 1HG2 VAL 39 0.240 -1.440 -6.010 291 2HG2 VAL 39 2HG2 VAL 39 0.225 -0.811 -7.659 292 3HG2 VAL 39 3HG2 VAL 39 1.277 -2.161 -7.238 293 H LEU 40 H LEU 40 -3.282 -2.948 -9.509 294 HA LEU 40 HA LEU 40 -3.922 -5.634 -9.012 295 1HB LEU 40 2HB LEU 40 -5.294 -3.838 -11.005 296 2HB LEU 40 1HB LEU 40 -5.990 -5.208 -10.159 297 HG LEU 40 HG LEU 40 -5.203 -2.556 -8.963 298 1HD1 LEU 40 1HD1 LEU 40 -7.833 -3.921 -9.450 299 2HD1 LEU 40 2HD1 LEU 40 -7.294 -2.355 -10.049 300 3HD1 LEU 40 3HD1 LEU 40 -7.645 -2.571 -8.333 301 1HD2 LEU 40 1HD2 LEU 40 -5.864 -5.168 -7.700 302 2HD2 LEU 40 2HD2 LEU 40 -6.421 -3.679 -6.936 303 3HD2 LEU 40 3HD2 LEU 40 -4.696 -3.941 -7.207 304 H ALA 41 H ALA 41 -2.912 -3.972 -11.951 305 HA ALA 41 HA ALA 41 -3.230 -6.122 -13.732 306 1HB ALA 41 1HB ALA 41 -1.233 -3.889 -13.947 307 2HB ALA 41 2HB ALA 41 -2.930 -3.757 -14.411 308 3HB ALA 41 3HB ALA 41 -1.866 -4.877 -15.262 309 H ALA 42 H ALA 42 -0.412 -4.990 -11.953 310 HA ALA 42 HA ALA 42 1.295 -7.079 -12.873 311 1HB ALA 42 1HB ALA 42 2.948 -6.183 -11.470 312 2HB ALA 42 2HB ALA 42 1.760 -5.484 -10.369 313 3HB ALA 42 3HB ALA 42 1.995 -4.786 -11.971 314 H LEU 43 H LEU 43 -0.899 -6.613 -10.243 315 HA LEU 43 HA LEU 43 -0.049 -8.625 -8.508 316 1HB LEU 43 2HB LEU 43 -2.474 -7.018 -8.908 317 2HB LEU 43 1HB LEU 43 -2.742 -8.572 -8.154 318 HG LEU 43 HG LEU 43 -0.776 -6.544 -7.128 319 1HD1 LEU 43 1HD1 LEU 43 -2.366 -5.676 -5.727 320 2HD1 LEU 43 2HD1 LEU 43 -3.316 -7.158 -5.709 321 3HD1 LEU 43 3HD1 LEU 43 -3.396 -6.078 -7.102 322 1HD2 LEU 43 1HD2 LEU 43 -1.496 -8.202 -5.077 323 2HD2 LEU 43 2HD2 LEU 43 -0.048 -8.386 -6.069 324 3HD2 LEU 43 3HD2 LEU 43 -1.507 -9.297 -6.460 325 H ALA 44 H ALA 44 -2.018 -8.700 -11.363 326 HA ALA 44 HA ALA 44 -3.220 -11.189 -11.110 327 1HB ALA 44 1HB ALA 44 -4.089 -10.108 -12.899 328 2HB ALA 44 2HB ALA 44 -2.903 -11.090 -13.760 329 3HB ALA 44 3HB ALA 44 -2.539 -9.410 -13.369 330 H SER 45 H SER 45 0.087 -10.438 -11.615 331 HA SER 45 HA SER 45 0.624 -13.256 -12.141 332 1HB SER 45 2HB SER 45 1.739 -10.830 -13.448 333 2HB SER 45 1HB SER 45 2.815 -12.208 -13.209 334 HG SER 45 HG SER 45 1.892 -12.663 -15.106 335 H LYS 46 H LYS 46 0.833 -10.993 -9.806 336 HA LYS 46 HA LYS 46 2.833 -12.457 -8.389 337 1HB LYS 46 2HB LYS 46 3.949 -10.610 -9.947 338 2HB LYS 46 1HB LYS 46 3.525 -9.570 -8.594 339 1HG LYS 46 2HG LYS 46 4.709 -11.785 -7.412 340 2HG LYS 46 1HG LYS 46 5.676 -11.484 -8.857 341 1HD LYS 46 2HD LYS 46 5.307 -8.960 -7.847 342 2HD LYS 46 1HD LYS 46 5.453 -9.936 -6.386 343 1HE LYS 46 2HE LYS 46 7.653 -10.036 -6.657 344 2HE LYS 46 1HE LYS 46 7.439 -10.787 -8.238 345 1HZ LYS 46 1HZ LYS 46 7.478 -7.867 -7.699 346 2HZ LYS 46 2HZ LYS 46 7.265 -8.581 -9.217 347 3HZ LYS 46 3HZ LYS 46 8.735 -8.760 -8.398 348 H THR 47 H THR 47 3.188 -11.515 -6.168 349 HA THR 47 HA THR 47 0.966 -9.869 -5.269 350 HB THR 47 HB THR 47 1.748 -12.508 -4.030 351 HG1 THR 47 1HG THR 47 0.464 -12.824 -5.823 352 1HG2 THR 47 1HG2 THR 47 0.151 -12.218 -2.377 353 2HG2 THR 47 2HG2 THR 47 -0.609 -10.863 -3.211 354 3HG2 THR 47 3HG2 THR 47 0.968 -10.656 -2.447 355 HA PRO 48 HA PRO 48 4.570 -8.095 -3.214 356 1HB PRO 48 2HB PRO 48 3.332 -5.906 -2.230 357 2HB PRO 48 1HB PRO 48 3.795 -6.045 -3.930 358 1HG PRO 48 2HG PRO 48 1.122 -6.517 -2.656 359 2HG PRO 48 1HG PRO 48 1.509 -5.616 -4.136 360 1HD PRO 48 2HD PRO 48 0.586 -8.152 -4.198 361 2HD PRO 48 1HD PRO 48 1.740 -7.535 -5.398 362 H ASP 49 H ASP 49 5.290 -8.038 -1.096 363 HA ASP 49 HA ASP 49 3.759 -9.533 0.799 364 1HB ASP 49 2HB ASP 49 6.420 -8.116 0.997 365 2HB ASP 49 1HB ASP 49 5.713 -9.032 2.324 366 H VAL 50 H VAL 50 4.411 -6.154 0.230 367 HA VAL 50 HA VAL 50 2.434 -5.449 2.259 368 HB VAL 50 HB VAL 50 4.542 -5.300 3.472 369 1HG1 VAL 50 1HG1 VAL 50 5.578 -3.113 1.778 370 2HG1 VAL 50 2HG1 VAL 50 5.719 -4.751 1.143 371 3HG1 VAL 50 3HG1 VAL 50 6.443 -4.343 2.698 372 1HG2 VAL 50 1HG2 VAL 50 4.473 -2.890 4.086 373 2HG2 VAL 50 2HG2 VAL 50 2.888 -3.665 4.063 374 3HG2 VAL 50 3HG2 VAL 50 3.379 -2.620 2.730 375 H LEU 51 H LEU 51 0.996 -4.573 0.824 376 HA LEU 51 HA LEU 51 1.919 -2.830 -1.299 377 1HB LEU 51 2HB LEU 51 -0.011 -4.518 -1.454 378 2HB LEU 51 1HB LEU 51 -0.954 -3.328 -0.577 379 HG LEU 51 HG LEU 51 -0.671 -1.714 -2.354 380 1HD1 LEU 51 1HD1 LEU 51 0.383 -2.990 -4.515 381 2HD1 LEU 51 2HD1 LEU 51 1.403 -3.588 -3.213 382 3HD1 LEU 51 3HD1 LEU 51 1.250 -1.853 -3.489 383 1HD2 LEU 51 1HD2 LEU 51 -2.298 -2.589 -3.647 384 2HD2 LEU 51 2HD2 LEU 51 -2.277 -3.879 -2.447 385 3HD2 LEU 51 3HD2 LEU 51 -1.402 -4.073 -3.964 386 H LEU 52 H LEU 52 2.070 -0.717 -1.196 387 HA LEU 52 HA LEU 52 0.648 0.740 0.941 388 1HB LEU 52 2HB LEU 52 3.301 0.468 0.868 389 2HB LEU 52 1HB LEU 52 3.166 1.803 -0.252 390 HG LEU 52 HG LEU 52 2.282 1.788 2.634 391 1HD1 LEU 52 1HD1 LEU 52 4.647 2.833 1.163 392 2HD1 LEU 52 2HD1 LEU 52 4.539 2.106 2.767 393 3HD1 LEU 52 3HD1 LEU 52 4.014 3.770 2.517 394 1HD2 LEU 52 1HD2 LEU 52 1.487 3.480 0.415 395 2HD2 LEU 52 2HD2 LEU 52 2.252 4.396 1.710 396 3HD2 LEU 52 3HD2 LEU 52 0.847 3.391 2.055 397 H SER 53 H SER 53 -0.846 2.117 0.126 398 HA SER 53 HA SER 53 -0.351 3.189 -2.573 399 1HB SER 53 2HB SER 53 -2.271 1.555 -2.327 400 2HB SER 53 1HB SER 53 -3.080 2.786 -1.361 401 HG SER 53 HG SER 53 -3.560 3.808 -3.127 402 H ASP 54 H ASP 54 -0.296 5.314 -2.815 403 HA ASP 54 HA ASP 54 -0.578 7.004 -0.494 404 1HB ASP 54 2HB ASP 54 1.275 7.234 -2.170 405 2HB ASP 54 1HB ASP 54 0.080 7.805 -3.331 406 H ILE 55 H ILE 55 -2.941 5.749 -2.112 407 HA ILE 55 HA ILE 55 -4.927 6.403 -3.074 408 HB ILE 55 HB ILE 55 -5.614 6.294 -0.834 409 1HG1 ILE 55 2HG1 ILE 55 -6.446 8.999 -1.895 410 2HG1 ILE 55 1HG1 ILE 55 -7.206 7.458 -2.251 411 1HG2 ILE 55 1HG2 ILE 55 -5.152 7.770 0.891 412 2HG2 ILE 55 2HG2 ILE 55 -4.675 9.065 -0.210 413 3HG2 ILE 55 3HG2 ILE 55 -3.629 7.661 0.008 414 1HD1 ILE 55 1HD1 ILE 55 -7.579 9.237 -0.003 415 2HD1 ILE 55 2HD1 ILE 55 -7.272 7.573 0.495 416 3HD1 ILE 55 3HD1 ILE 55 -8.606 7.934 -0.600 417 H ARG 56 H ARG 56 -4.533 7.498 -4.959 418 HA ARG 56 HA ARG 56 -4.225 10.412 -4.778 419 1HB ARG 56 2HB ARG 56 -2.588 8.953 -6.117 420 2HB ARG 56 1HB ARG 56 -3.891 8.786 -7.287 421 1HG ARG 56 2HG ARG 56 -2.337 10.554 -7.917 422 2HG ARG 56 1HG ARG 56 -3.950 11.193 -7.600 423 1HD ARG 56 2HD ARG 56 -3.291 12.300 -5.715 424 2HD ARG 56 1HD ARG 56 -2.029 11.126 -5.339 425 HE ARG 56 HE ARG 56 -1.570 12.779 -7.677 426 1HH1 ARG 56 1HH1 ARG 56 -1.004 12.327 -4.261 427 2HH1 ARG 56 2HH1 ARG 56 0.398 13.344 -4.234 428 1HH2 ARG 56 1HH2 ARG 56 0.270 14.121 -7.638 429 2HH2 ARG 56 2HH2 ARG 56 1.118 14.363 -6.147 430 H MET 57 H MET 57 -6.734 9.155 -4.316 431 HA MET 57 HA MET 57 -8.928 9.296 -4.880 432 1HB MET 57 2HB MET 57 -7.867 11.770 -5.060 433 2HB MET 57 1HB MET 57 -8.523 11.592 -6.681 434 1HG MET 57 2HG MET 57 -10.611 11.874 -5.976 435 2HG MET 57 1HG MET 57 -10.400 10.738 -4.650 436 1HE MET 57 1HE MET 57 -9.162 14.000 -5.959 437 2HE MET 57 2HE MET 57 -8.008 14.155 -4.634 438 3HE MET 57 3HE MET 57 -9.440 15.183 -4.681 439 HA PRO 58 HA PRO 58 -8.039 7.647 -9.297 440 1HB PRO 58 2HB PRO 58 -8.532 5.008 -8.673 441 2HB PRO 58 1HB PRO 58 -6.921 5.724 -8.762 442 1HG PRO 58 2HG PRO 58 -8.623 5.172 -6.365 443 2HG PRO 58 1HG PRO 58 -6.872 4.979 -6.572 444 1HD PRO 58 2HD PRO 58 -7.934 7.069 -5.258 445 2HD PRO 58 1HD PRO 58 -6.455 7.224 -6.220 446 H GLY 59 H GLY 59 -10.160 5.616 -7.305 447 1HA GLY 59 2HA GLY 59 -12.470 6.602 -8.866 448 2HA GLY 59 1HA GLY 59 -12.307 4.934 -8.318 449 H MET 60 H MET 60 -12.333 4.534 -6.025 450 HA MET 60 HA MET 60 -14.207 6.260 -4.626 451 1HB MET 60 2HB MET 60 -13.907 3.539 -4.678 452 2HB MET 60 1HB MET 60 -13.066 3.941 -3.188 453 1HG MET 60 2HG MET 60 -15.498 5.381 -3.202 454 2HG MET 60 1HG MET 60 -15.861 3.725 -3.674 455 1HE MET 60 1HE MET 60 -17.304 3.370 -2.086 456 2HE MET 60 2HE MET 60 -17.229 4.104 -0.485 457 3HE MET 60 3HE MET 60 -16.805 2.405 -0.696 458 H ASP 61 H ASP 61 -12.146 7.749 -4.954 459 HA ASP 61 HA ASP 61 -10.511 9.000 -4.076 460 1HB ASP 61 2HB ASP 61 -10.559 9.489 -1.708 461 2HB ASP 61 1HB ASP 61 -12.190 9.450 -2.358 462 H GLY 62 H GLY 62 -10.556 6.152 -1.930 463 1HA GLY 62 2HA GLY 62 -7.896 5.424 -2.833 464 2HA GLY 62 1HA GLY 62 -7.999 5.941 -1.156 465 H LEU 63 H LEU 63 -10.585 4.846 -0.664 466 HA LEU 63 HA LEU 63 -9.866 2.288 0.184 467 1HB LEU 63 2HB LEU 63 -12.736 2.986 -0.221 468 2HB LEU 63 1HB LEU 63 -11.984 2.102 1.093 469 HG LEU 63 HG LEU 63 -10.881 4.500 1.544 470 1HD1 LEU 63 1HD1 LEU 63 -12.089 6.304 0.878 471 2HD1 LEU 63 2HD1 LEU 63 -13.591 5.395 0.754 472 3HD1 LEU 63 3HD1 LEU 63 -12.372 5.254 -0.508 473 1HD2 LEU 63 1HD2 LEU 63 -11.940 3.892 3.407 474 2HD2 LEU 63 2HD2 LEU 63 -13.230 3.086 2.511 475 3HD2 LEU 63 3HD2 LEU 63 -13.295 4.824 2.782 476 H ALA 64 H ALA 64 -11.074 3.399 -2.837 477 HA ALA 64 HA ALA 64 -12.400 1.168 -3.827 478 1HB ALA 64 1HB ALA 64 -10.835 2.244 -5.925 479 2HB ALA 64 2HB ALA 64 -11.300 3.573 -4.863 480 3HB ALA 64 3HB ALA 64 -12.537 2.533 -5.569 481 H LEU 65 H LEU 65 -8.947 1.894 -3.764 482 HA LEU 65 HA LEU 65 -7.978 -0.184 -5.292 483 1HB LEU 65 2HB LEU 65 -6.523 1.557 -4.584 484 2HB LEU 65 1HB LEU 65 -6.825 1.216 -2.892 485 HG LEU 65 HG LEU 65 -5.483 -0.718 -2.926 486 1HD1 LEU 65 1HD1 LEU 65 -4.899 -0.572 -5.841 487 2HD1 LEU 65 2HD1 LEU 65 -6.394 -1.339 -5.313 488 3HD1 LEU 65 3HD1 LEU 65 -4.842 -1.951 -4.746 489 1HD2 LEU 65 1HD2 LEU 65 -4.441 1.761 -3.983 490 2HD2 LEU 65 2HD2 LEU 65 -3.474 0.372 -4.479 491 3HD2 LEU 65 3HD2 LEU 65 -3.773 0.673 -2.768 492 H LEU 66 H LEU 66 -8.781 -0.207 -1.825 493 HA LEU 66 HA LEU 66 -7.869 -2.798 -1.262 494 1HB LEU 66 2HB LEU 66 -10.285 -1.520 0.003 495 2HB LEU 66 1HB LEU 66 -9.225 -2.728 0.701 496 HG LEU 66 HG LEU 66 -8.010 -0.117 -0.036 497 1HD1 LEU 66 1HD1 LEU 66 -8.804 0.329 2.536 498 2HD1 LEU 66 2HD1 LEU 66 -10.236 -0.419 1.836 499 3HD1 LEU 66 3HD1 LEU 66 -9.553 1.029 1.108 500 1HD2 LEU 66 1HD2 LEU 66 -7.115 -0.746 2.411 501 2HD2 LEU 66 2HD2 LEU 66 -6.402 -1.380 0.928 502 3HD2 LEU 66 3HD2 LEU 66 -7.556 -2.355 1.838 503 H LYS 67 H LYS 67 -11.018 -1.639 -2.375 504 HA LYS 67 HA LYS 67 -12.484 -3.968 -2.243 505 1HB LYS 67 2HB LYS 67 -13.090 -1.524 -3.015 506 2HB LYS 67 1HB LYS 67 -12.815 -2.190 -4.618 507 1HG LYS 67 2HG LYS 67 -14.749 -3.295 -4.609 508 2HG LYS 67 1HG LYS 67 -14.506 -3.884 -2.964 509 1HD LYS 67 2HD LYS 67 -15.305 -1.795 -2.053 510 2HD LYS 67 1HD LYS 67 -15.424 -1.099 -3.669 511 1HE LYS 67 2HE LYS 67 -17.352 -2.186 -4.142 512 2HE LYS 67 1HE LYS 67 -16.887 -3.622 -3.231 513 1HZ LYS 67 1HZ LYS 67 -17.255 -2.150 -1.191 514 2HZ LYS 67 2HZ LYS 67 -18.622 -2.719 -2.010 515 3HZ LYS 67 3HZ LYS 67 -18.104 -1.124 -2.234 516 H GLN 68 H GLN 68 -10.661 -2.794 -5.082 517 HA GLN 68 HA GLN 68 -11.138 -5.023 -6.708 518 1HB GLN 68 2HB GLN 68 -8.811 -3.101 -6.728 519 2HB GLN 68 1HB GLN 68 -9.178 -4.242 -8.014 520 1HG GLN 68 2HG GLN 68 -10.936 -1.981 -7.096 521 2HG GLN 68 1HG GLN 68 -9.952 -2.012 -8.560 522 1HE2 GLN 68 1HE2 GLN 68 -12.693 -1.549 -8.602 523 2HE2 GLN 68 2HE2 GLN 68 -13.474 -2.875 -9.386 524 H ILE 69 H ILE 69 -8.422 -4.324 -4.535 525 HA ILE 69 HA ILE 69 -6.819 -6.490 -5.181 526 HB ILE 69 HB ILE 69 -7.133 -5.285 -2.441 527 1HG1 ILE 69 2HG1 ILE 69 -4.966 -4.535 -4.363 528 2HG1 ILE 69 1HG1 ILE 69 -6.546 -3.767 -4.500 529 1HG2 ILE 69 1HG2 ILE 69 -5.652 -7.491 -3.264 530 2HG2 ILE 69 2HG2 ILE 69 -5.489 -6.594 -1.758 531 3HG2 ILE 69 3HG2 ILE 69 -4.486 -6.175 -3.143 532 1HD1 ILE 69 1HD1 ILE 69 -4.419 -3.330 -2.577 533 2HD1 ILE 69 2HD1 ILE 69 -5.985 -3.605 -1.811 534 3HD1 ILE 69 3HD1 ILE 69 -5.800 -2.320 -2.993 535 H LYS 70 H LYS 70 -9.155 -6.233 -2.570 536 HA LYS 70 HA LYS 70 -8.929 -8.826 -1.593 537 1HB LYS 70 2HB LYS 70 -11.036 -8.462 -0.481 538 2HB LYS 70 1HB LYS 70 -10.091 -6.982 -0.433 539 1HG LYS 70 2HG LYS 70 -11.459 -5.911 -1.976 540 2HG LYS 70 1HG LYS 70 -12.159 -7.427 -2.547 541 1HD LYS 70 2HD LYS 70 -13.459 -7.680 -0.602 542 2HD LYS 70 1HD LYS 70 -12.529 -6.463 0.275 543 1HE LYS 70 2HE LYS 70 -13.727 -4.765 -0.572 544 2HE LYS 70 1HE LYS 70 -13.779 -5.481 -2.183 545 1HZ LYS 70 1HZ LYS 70 -15.899 -5.921 -1.761 546 2HZ LYS 70 2HZ LYS 70 -15.749 -5.529 -0.121 547 3HZ LYS 70 3HZ LYS 70 -15.381 -7.091 -0.654 548 H GLN 71 H GLN 71 -10.502 -7.670 -4.425 549 HA GLN 71 HA GLN 71 -12.338 -9.766 -4.789 550 1HB GLN 71 2HB GLN 71 -11.481 -7.455 -6.226 551 2HB GLN 71 1HB GLN 71 -11.541 -8.824 -7.325 552 1HG GLN 71 2HG GLN 71 -13.784 -8.962 -7.249 553 2HG GLN 71 1HG GLN 71 -13.860 -8.522 -5.542 554 1HE2 GLN 71 1HE2 GLN 71 -12.716 -6.117 -5.415 555 2HE2 GLN 71 2HE2 GLN 71 -13.574 -4.964 -6.373 556 H ARG 72 H ARG 72 -9.147 -9.244 -6.187 557 HA ARG 72 HA ARG 72 -9.126 -12.020 -7.114 558 1HB ARG 72 2HB ARG 72 -7.474 -9.613 -7.843 559 2HB ARG 72 1HB ARG 72 -7.014 -11.237 -8.336 560 1HG ARG 72 2HG ARG 72 -9.228 -11.464 -9.443 561 2HG ARG 72 1HG ARG 72 -9.542 -9.771 -9.057 562 1HD ARG 72 2HD ARG 72 -7.772 -9.030 -10.438 563 2HD ARG 72 1HD ARG 72 -7.119 -10.656 -10.602 564 HE ARG 72 HE ARG 72 -9.489 -9.584 -11.948 565 1HH1 ARG 72 1HH1 ARG 72 -7.242 -12.225 -11.486 566 2HH1 ARG 72 2HH1 ARG 72 -7.749 -13.062 -12.912 567 1HH2 ARG 72 1HH2 ARG 72 -10.153 -10.696 -13.815 568 2HH2 ARG 72 2HH2 ARG 72 -9.397 -12.200 -14.231 569 H HIS 73 H HIS 73 -8.012 -10.279 -4.463 570 HA HIS 73 HA HIS 73 -5.910 -12.294 -4.019 571 1HB HIS 73 2HB HIS 73 -5.811 -9.440 -3.034 572 2HB HIS 73 1HB HIS 73 -4.528 -10.649 -2.936 573 HD1 HIS 73 1HD HIS 73 -3.727 -11.556 -5.397 574 HD2 HIS 73 2HD HIS 73 -5.656 -7.885 -5.229 575 HE1 HIS 73 1HE HIS 73 -3.234 -10.441 -7.593 576 HE2 HIS 73 2HE HIS 73 -4.548 -8.290 -7.529 577 HA PRO 74 HA PRO 74 -8.147 -13.403 -0.395 578 1HB PRO 74 2HB PRO 74 -6.147 -14.678 0.951 579 2HB PRO 74 1HB PRO 74 -7.015 -15.385 -0.415 580 1HG PRO 74 2HG PRO 74 -4.330 -14.079 -0.345 581 2HG PRO 74 1HG PRO 74 -4.860 -15.510 -1.243 582 1HD PRO 74 2HD PRO 74 -4.591 -13.062 -2.384 583 2HD PRO 74 1HD PRO 74 -5.769 -14.266 -2.942 584 H MET 75 H MET 75 -4.809 -12.516 0.569 585 HA MET 75 HA MET 75 -5.965 -10.547 2.396 586 1HB MET 75 2HB MET 75 -4.180 -12.836 3.111 587 2HB MET 75 1HB MET 75 -4.130 -11.352 4.054 588 1HG MET 75 2HG MET 75 -6.750 -11.711 4.079 589 2HG MET 75 1HG MET 75 -6.271 -13.389 3.826 590 1HE MET 75 1HE MET 75 -6.593 -10.706 7.029 591 2HE MET 75 2HE MET 75 -7.395 -12.207 7.494 592 3HE MET 75 3HE MET 75 -7.714 -11.490 5.916 593 H LEU 76 H LEU 76 -4.898 -9.752 0.073 594 HA LEU 76 HA LEU 76 -2.123 -9.200 0.167 595 1HB LEU 76 2HB LEU 76 -3.870 -9.102 -1.808 596 2HB LEU 76 1HB LEU 76 -4.043 -7.444 -1.275 597 HG LEU 76 HG LEU 76 -2.432 -7.954 -3.209 598 1HD1 LEU 76 1HD1 LEU 76 -1.540 -5.936 -2.813 599 2HD1 LEU 76 2HD1 LEU 76 -0.993 -6.374 -1.193 600 3HD1 LEU 76 3HD1 LEU 76 -2.680 -5.923 -1.466 601 1HD2 LEU 76 1HD2 LEU 76 -1.328 -9.734 -1.543 602 2HD2 LEU 76 2HD2 LEU 76 -0.337 -8.325 -1.161 603 3HD2 LEU 76 3HD2 LEU 76 -0.427 -8.918 -2.818 604 HA PRO 77 HA PRO 77 -2.626 -6.114 3.463 605 1HB PRO 77 2HB PRO 77 0.050 -5.434 3.486 606 2HB PRO 77 1HB PRO 77 -0.659 -6.756 4.417 607 1HG PRO 77 2HG PRO 77 0.784 -6.840 1.800 608 2HG PRO 77 1HG PRO 77 0.892 -7.953 3.178 609 1HD PRO 77 2HD PRO 77 -0.517 -8.575 0.988 610 2HD PRO 77 1HD PRO 77 -1.076 -9.042 2.608 611 H VAL 78 H VAL 78 -3.162 -4.036 3.231 612 HA VAL 78 HA VAL 78 -1.897 -2.469 1.085 613 HB VAL 78 HB VAL 78 -4.779 -2.061 1.830 614 1HG1 VAL 78 1HG1 VAL 78 -3.052 -0.562 0.355 615 2HG1 VAL 78 2HG1 VAL 78 -4.808 -0.536 0.191 616 3HG1 VAL 78 3HG1 VAL 78 -3.838 -1.530 -0.892 617 1HG2 VAL 78 1HG2 VAL 78 -3.862 -3.739 -0.500 618 2HG2 VAL 78 2HG2 VAL 78 -5.513 -3.464 0.058 619 3HG2 VAL 78 3HG2 VAL 78 -4.402 -4.422 1.034 620 H ILE 79 H ILE 79 -1.288 -0.442 1.628 621 HA ILE 79 HA ILE 79 -2.143 0.581 4.252 622 HB ILE 79 HB ILE 79 0.632 0.923 3.127 623 1HG1 ILE 79 2HG1 ILE 79 0.577 -0.680 5.497 624 2HG1 ILE 79 1HG1 ILE 79 -0.508 -1.395 4.308 625 1HG2 ILE 79 1HG2 ILE 79 -0.683 2.384 5.024 626 2HG2 ILE 79 2HG2 ILE 79 1.068 2.237 4.883 627 3HG2 ILE 79 3HG2 ILE 79 0.184 1.197 5.999 628 1HD1 ILE 79 1HD1 ILE 79 2.431 -1.061 4.243 629 2HD1 ILE 79 2HD1 ILE 79 1.553 -0.984 2.715 630 3HD1 ILE 79 3HD1 ILE 79 1.428 -2.419 3.734 631 H ILE 80 H ILE 80 -3.343 2.308 3.866 632 HA ILE 80 HA ILE 80 -2.706 4.034 1.592 633 HB ILE 80 HB ILE 80 -5.149 4.222 3.330 634 1HG1 ILE 80 2HG1 ILE 80 -5.063 1.942 2.497 635 2HG1 ILE 80 1HG1 ILE 80 -6.297 2.834 1.621 636 1HG2 ILE 80 1HG2 ILE 80 -4.747 6.137 1.924 637 2HG2 ILE 80 2HG2 ILE 80 -6.123 5.232 1.298 638 3HG2 ILE 80 3HG2 ILE 80 -4.549 5.102 0.512 639 1HD1 ILE 80 1HD1 ILE 80 -4.843 3.078 -0.276 640 2HD1 ILE 80 2HD1 ILE 80 -4.956 1.378 0.175 641 3HD1 ILE 80 3HD1 ILE 80 -3.520 2.309 0.601 642 H MET 81 H MET 81 -2.437 6.271 1.795 643 HA MET 81 HA MET 81 -1.277 7.116 4.303 644 1HB MET 81 2HB MET 81 -0.633 9.132 3.113 645 2HB MET 81 1HB MET 81 -0.237 7.715 2.153 646 1HG MET 81 2HG MET 81 -1.624 8.291 0.494 647 2HG MET 81 1HG MET 81 -2.871 8.866 1.593 648 1HE MET 81 1HE MET 81 -2.467 11.895 -0.656 649 2HE MET 81 2HE MET 81 -3.518 11.551 0.716 650 3HE MET 81 3HE MET 81 -3.192 10.298 -0.480 651 H THR 82 H THR 82 -4.193 7.769 2.468 652 HA THR 82 HA THR 82 -5.257 9.269 4.757 653 HB THR 82 HB THR 82 -5.757 10.006 1.868 654 HG1 THR 82 1HG THR 82 -3.816 10.862 3.680 655 1HG2 THR 82 1HG2 THR 82 -7.203 10.689 4.123 656 2HG2 THR 82 2HG2 THR 82 -7.238 11.495 2.555 657 3HG2 THR 82 3HG2 THR 82 -6.164 12.082 3.826 658 H ALA 83 H ALA 83 -7.509 9.024 5.112 659 HA ALA 83 HA ALA 83 -8.631 6.667 3.784 660 1HB ALA 83 1HB ALA 83 -9.406 8.007 6.366 661 2HB ALA 83 2HB ALA 83 -8.530 6.487 6.176 662 3HB ALA 83 3HB ALA 83 -10.218 6.599 5.675 663 H HIS 84 H HIS 84 -9.146 10.081 4.152 664 HA HIS 84 HA HIS 84 -10.791 11.489 3.431 665 1HB HIS 84 2HB HIS 84 -10.358 9.497 1.248 666 2HB HIS 84 1HB HIS 84 -11.609 10.717 1.046 667 HD1 HIS 84 1HD HIS 84 -9.709 12.858 2.678 668 HD2 HIS 84 2HD HIS 84 -8.857 10.751 -0.801 669 HE1 HIS 84 1HE HIS 84 -7.906 14.171 1.522 670 HE2 HIS 84 2HE HIS 84 -7.343 12.833 -0.535 671 H SER 85 H SER 85 -13.114 10.910 1.819 672 HA SER 85 HA SER 85 -14.862 10.003 3.916 673 1HB SER 85 2HB SER 85 -16.671 10.658 2.428 674 2HB SER 85 1HB SER 85 -15.436 11.916 2.441 675 HG SER 85 HG SER 85 -15.732 11.651 0.338 676 H ASP 86 H ASP 86 -16.798 8.577 3.134 677 HA ASP 86 HA ASP 86 -17.557 6.508 2.576 678 1HB ASP 86 2HB ASP 86 -15.587 7.061 0.393 679 2HB ASP 86 1HB ASP 86 -16.268 5.444 0.530 680 H LEU 87 H LEU 87 -15.498 6.818 4.575 681 HA LEU 87 HA LEU 87 -13.417 5.049 4.523 682 1HB LEU 87 2HB LEU 87 -14.897 6.452 6.530 683 2HB LEU 87 1HB LEU 87 -14.473 4.854 7.115 684 HG LEU 87 HG LEU 87 -12.508 6.854 5.995 685 1HD1 LEU 87 1HD1 LEU 87 -12.478 6.043 8.840 686 2HD1 LEU 87 2HD1 LEU 87 -13.735 7.173 8.334 687 3HD1 LEU 87 3HD1 LEU 87 -12.035 7.576 8.090 688 1HD2 LEU 87 1HD2 LEU 87 -11.410 4.888 5.650 689 2HD2 LEU 87 2HD2 LEU 87 -12.300 4.042 6.916 690 3HD2 LEU 87 3HD2 LEU 87 -10.992 5.144 7.345 691 H ASP 88 H ASP 88 -16.758 4.245 4.588 692 HA ASP 88 HA ASP 88 -16.870 1.818 5.849 693 1HB ASP 88 2HB ASP 88 -18.700 3.152 4.548 694 2HB ASP 88 1HB ASP 88 -18.225 2.134 3.191 695 H ALA 89 H ALA 89 -15.682 2.442 2.563 696 HA ALA 89 HA ALA 89 -15.330 -0.262 1.854 697 1HB ALA 89 1HB ALA 89 -15.362 1.138 0.019 698 2HB ALA 89 2HB ALA 89 -13.642 0.785 0.176 699 3HB ALA 89 3HB ALA 89 -14.288 2.317 0.770 700 H ALA 90 H ALA 90 -13.442 1.868 3.796 701 HA ALA 90 HA ALA 90 -10.984 0.404 3.549 702 1HB ALA 90 1HB ALA 90 -10.234 1.811 5.458 703 2HB ALA 90 2HB ALA 90 -11.846 2.524 5.511 704 3HB ALA 90 3HB ALA 90 -10.833 2.734 4.082 705 H VAL 91 H VAL 91 -13.818 0.243 5.553 706 HA VAL 91 HA VAL 91 -12.667 -1.252 7.671 707 HB VAL 91 HB VAL 91 -15.554 -1.442 6.856 708 1HG1 VAL 91 1HG1 VAL 91 -15.278 -1.307 9.622 709 2HG1 VAL 91 2HG1 VAL 91 -13.934 -2.321 9.089 710 3HG1 VAL 91 3HG1 VAL 91 -15.593 -2.753 8.660 711 1HG2 VAL 91 1HG2 VAL 91 -15.958 0.499 8.337 712 2HG2 VAL 91 2HG2 VAL 91 -15.016 0.921 6.908 713 3HG2 VAL 91 3HG2 VAL 91 -14.213 0.731 8.467 714 H SER 92 H SER 92 -14.217 -2.099 4.636 715 HA SER 92 HA SER 92 -14.245 -4.902 5.079 716 1HB SER 92 2HB SER 92 -14.244 -3.410 2.442 717 2HB SER 92 1HB SER 92 -14.707 -5.095 2.685 718 HG SER 92 HG SER 92 -16.056 -3.307 4.286 719 H ALA 93 H ALA 93 -11.830 -2.634 4.232 720 HA ALA 93 HA ALA 93 -10.067 -4.324 2.825 721 1HB ALA 93 1HB ALA 93 -9.580 -2.112 2.498 722 2HB ALA 93 2HB ALA 93 -8.374 -2.536 3.700 723 3HB ALA 93 3HB ALA 93 -9.835 -1.694 4.185 724 H TYR 94 H TYR 94 -10.382 -3.468 6.217 725 HA TYR 94 HA TYR 94 -8.126 -4.900 7.132 726 1HB TYR 94 2HB TYR 94 -10.642 -4.549 8.756 727 2HB TYR 94 1HB TYR 94 -8.979 -4.627 9.323 728 HD1 TYR 94 1HD TYR 94 -7.472 -2.684 8.050 729 HD2 TYR 94 2HD TYR 94 -11.620 -2.482 9.000 730 HE1 TYR 94 1HE TYR 94 -7.354 -0.228 8.041 731 HE2 TYR 94 2HE TYR 94 -11.502 -0.025 8.993 732 HH TYR 94 HH TYR 94 -8.786 1.687 7.797 733 H GLN 95 H GLN 95 -11.281 -5.796 6.140 734 HA GLN 95 HA GLN 95 -11.302 -8.411 7.317 735 1HB GLN 95 2HB GLN 95 -13.444 -7.597 6.988 736 2HB GLN 95 1HB GLN 95 -13.050 -6.875 5.440 737 1HG GLN 95 2HG GLN 95 -12.759 -9.618 5.037 738 2HG GLN 95 1HG GLN 95 -14.194 -9.452 6.045 739 1HE2 GLN 95 1HE2 GLN 95 -12.877 -7.340 3.527 740 2HE2 GLN 95 2HE2 GLN 95 -14.279 -7.377 2.516 741 H GLN 96 H GLN 96 -10.583 -7.048 4.125 742 HA GLN 96 HA GLN 96 -10.128 -9.609 2.957 743 1HB GLN 96 2HB GLN 96 -9.418 -8.443 0.981 744 2HB GLN 96 1HB GLN 96 -10.860 -7.664 1.614 745 1HG GLN 96 2HG GLN 96 -9.618 -5.833 1.143 746 2HG GLN 96 1HG GLN 96 -9.079 -6.121 2.791 747 1HE2 GLN 96 1HE2 GLN 96 -8.214 -5.993 -0.504 748 2HE2 GLN 96 2HE2 GLN 96 -6.533 -6.336 -0.313 749 H GLY 97 H GLY 97 -8.258 -7.535 4.918 750 1HA GLY 97 2HA GLY 97 -6.251 -8.655 5.835 751 2HA GLY 97 1HA GLY 97 -5.845 -9.076 4.180 752 H ALA 98 H ALA 98 -7.124 -5.913 4.637 753 HA ALA 98 HA ALA 98 -4.796 -4.672 3.650 754 1HB ALA 98 1HB ALA 98 -6.825 -3.554 3.263 755 2HB ALA 98 2HB ALA 98 -5.949 -2.545 4.415 756 3HB ALA 98 3HB ALA 98 -7.258 -3.583 4.972 757 H PHE 99 H PHE 99 -3.609 -2.890 4.830 758 HA PHE 99 HA PHE 99 -2.733 -3.947 7.363 759 1HB PHE 99 2HB PHE 99 -1.191 -3.089 5.494 760 2HB PHE 99 1HB PHE 99 -1.606 -1.478 6.087 761 HD1 PHE 99 1HD PHE 99 -0.461 -4.780 7.358 762 HD2 PHE 99 2HD PHE 99 -0.295 -0.546 7.734 763 HE1 PHE 99 1HE PHE 99 1.202 -5.013 9.150 764 HE2 PHE 99 2HE PHE 99 1.382 -0.768 9.524 765 HZ PHE 99 HZ PHE 99 2.125 -3.009 10.235 766 H ASP 100 H ASP 100 -3.807 -0.739 6.203 767 HA ASP 100 HA ASP 100 -5.561 -0.116 8.210 768 1HB ASP 100 2HB ASP 100 -4.132 1.345 9.716 769 2HB ASP 100 1HB ASP 100 -3.893 -0.385 9.904 770 H TYR 101 H TYR 101 -5.012 2.552 8.796 771 HA TYR 101 HA TYR 101 -4.533 3.839 6.208 772 1HB TYR 101 2HB TYR 101 -7.078 3.772 7.715 773 2HB TYR 101 1HB TYR 101 -6.591 5.355 7.116 774 HD1 TYR 101 1HD TYR 101 -7.391 1.893 6.106 775 HD2 TYR 101 2HD TYR 101 -6.768 5.897 4.812 776 HE1 TYR 101 1HE TYR 101 -8.269 1.314 3.888 777 HE2 TYR 101 2HE TYR 101 -7.643 5.326 2.585 778 HH TYR 101 HH TYR 101 -8.431 3.700 1.267 779 H LEU 102 H LEU 102 -3.976 6.080 6.354 780 HA LEU 102 HA LEU 102 -2.880 6.780 8.984 781 1HB LEU 102 2HB LEU 102 -1.888 6.988 6.301 782 2HB LEU 102 1HB LEU 102 -1.943 8.583 7.028 783 HG LEU 102 HG LEU 102 -0.492 7.921 8.803 784 1HD1 LEU 102 1HD1 LEU 102 -1.434 5.292 8.169 785 2HD1 LEU 102 2HD1 LEU 102 -0.551 5.854 9.588 786 3HD1 LEU 102 3HD1 LEU 102 0.327 5.332 8.153 787 1HD2 LEU 102 1HD2 LEU 102 0.769 8.527 6.935 788 2HD2 LEU 102 2HD2 LEU 102 0.378 7.042 6.073 789 3HD2 LEU 102 3HD2 LEU 102 1.473 6.997 7.455 790 HA PRO 103 HA PRO 103 -6.129 9.837 9.191 791 1HB PRO 103 2HB PRO 103 -5.334 10.977 11.543 792 2HB PRO 103 1HB PRO 103 -6.266 9.483 11.440 793 1HG PRO 103 2HG PRO 103 -3.362 9.877 11.953 794 2HG PRO 103 1HG PRO 103 -4.464 8.653 12.602 795 1HD PRO 103 2HD PRO 103 -2.659 8.198 10.583 796 2HD PRO 103 1HD PRO 103 -4.139 7.253 10.831 797 H LYS 104 H LYS 104 -3.160 11.181 10.618 798 HA LYS 104 HA LYS 104 -3.321 13.359 8.652 799 1HB LYS 104 2HB LYS 104 -2.394 13.556 11.520 800 2HB LYS 104 1HB LYS 104 -2.428 14.875 10.360 801 1HG LYS 104 2HG LYS 104 -4.793 14.870 10.288 802 2HG LYS 104 1HG LYS 104 -4.882 13.343 11.168 803 1HD LYS 104 2HD LYS 104 -5.058 14.509 13.053 804 2HD LYS 104 1HD LYS 104 -3.404 15.072 12.804 805 1HE LYS 104 2HE LYS 104 -5.447 16.494 11.243 806 2HE LYS 104 1HE LYS 104 -5.583 16.689 12.990 807 1HZ LYS 104 1HZ LYS 104 -2.948 17.038 12.587 808 2HZ LYS 104 2HZ LYS 104 -4.076 18.295 12.685 809 3HZ LYS 104 3HZ LYS 104 -3.588 17.713 11.173 810 HA PRO 105 HA PRO 105 1.457 12.828 9.644 811 1HB PRO 105 2HB PRO 105 1.993 10.299 10.677 812 2HB PRO 105 1HB PRO 105 1.996 11.805 11.597 813 1HG PRO 105 2HG PRO 105 -0.155 9.749 11.332 814 2HG PRO 105 1HG PRO 105 0.354 10.663 12.764 815 1HD PRO 105 2HD PRO 105 -1.854 11.337 11.447 816 2HD PRO 105 1HD PRO 105 -0.773 12.588 12.089 817 H PHE 106 H PHE 106 2.996 11.674 8.346 818 HA PHE 106 HA PHE 106 2.366 9.321 6.928 819 1HB PHE 106 2HB PHE 106 0.764 10.740 5.755 820 2HB PHE 106 1HB PHE 106 2.028 11.908 5.387 821 HD1 PHE 106 1HD PHE 106 2.789 11.874 3.225 822 HD2 PHE 106 2HD PHE 106 1.496 8.229 4.998 823 HE1 PHE 106 1HE PHE 106 3.277 10.682 1.129 824 HE2 PHE 106 2HE PHE 106 1.992 7.030 2.912 825 HZ PHE 106 HZ PHE 106 2.882 8.256 0.972 826 H ASP 107 H ASP 107 3.891 11.790 5.003 827 HA ASP 107 HA ASP 107 6.013 11.840 4.153 828 1HB ASP 107 2HB ASP 107 7.610 12.645 5.695 829 2HB ASP 107 1HB ASP 107 6.057 13.151 6.350 830 H ILE 108 H ILE 108 8.393 10.830 4.526 831 HA ILE 108 HA ILE 108 8.055 8.063 4.041 832 HB ILE 108 HB ILE 108 10.184 9.948 3.776 833 1HG1 ILE 108 2HG1 ILE 108 10.899 8.447 2.032 834 2HG1 ILE 108 1HG1 ILE 108 9.951 7.134 2.716 835 1HG2 ILE 108 1HG2 ILE 108 12.051 8.308 4.169 836 2HG2 ILE 108 2HG2 ILE 108 10.900 7.346 5.093 837 3HG2 ILE 108 3HG2 ILE 108 11.310 8.978 5.622 838 1HD1 ILE 108 1HD1 ILE 108 9.046 8.372 0.661 839 2HD1 ILE 108 2HD1 ILE 108 8.633 9.654 1.801 840 3HD1 ILE 108 3HD1 ILE 108 7.946 8.040 2.000 841 H ASP 109 H ASP 109 9.322 9.861 6.755 842 HA ASP 109 HA ASP 109 10.295 7.840 8.331 843 1HB ASP 109 2HB ASP 109 10.006 10.470 8.713 844 2HB ASP 109 1HB ASP 109 8.676 9.908 9.723 845 H GLU 110 H GLU 110 6.931 9.090 8.552 846 HA GLU 110 HA GLU 110 6.158 6.919 10.213 847 1HB GLU 110 2HB GLU 110 4.410 8.920 8.782 848 2HB GLU 110 1HB GLU 110 3.878 7.812 10.033 849 1HG GLU 110 2HG GLU 110 6.073 9.785 10.535 850 2HG GLU 110 1HG GLU 110 4.374 10.233 10.683 851 H ALA 111 H ALA 111 6.058 7.505 6.784 852 HA ALA 111 HA ALA 111 4.195 5.455 6.160 853 1HB ALA 111 1HB ALA 111 6.018 7.183 4.633 854 2HB ALA 111 2HB ALA 111 4.342 6.742 4.318 855 3HB ALA 111 3HB ALA 111 5.644 5.633 3.889 856 H VAL 112 H VAL 112 7.732 5.556 5.663 857 HA VAL 112 HA VAL 112 8.042 2.840 5.112 858 HB VAL 112 HB VAL 112 10.073 4.621 6.451 859 1HG1 VAL 112 1HG1 VAL 112 10.134 1.890 5.839 860 2HG1 VAL 112 2HG1 VAL 112 11.493 2.917 6.302 861 3HG1 VAL 112 3HG1 VAL 112 11.110 2.682 4.597 862 1HG2 VAL 112 1HG2 VAL 112 9.018 4.541 3.706 863 2HG2 VAL 112 2HG2 VAL 112 10.776 4.559 3.834 864 3HG2 VAL 112 3HG2 VAL 112 9.826 5.845 4.575 865 H ALA 113 H ALA 113 7.806 4.552 8.110 866 HA ALA 113 HA ALA 113 8.758 2.560 9.862 867 1HB ALA 113 1HB ALA 113 6.638 4.634 10.393 868 2HB ALA 113 2HB ALA 113 8.374 4.939 10.472 869 3HB ALA 113 3HB ALA 113 7.629 3.805 11.597 870 H LEU 114 H LEU 114 5.579 3.377 8.631 871 HA LEU 114 HA LEU 114 4.242 1.275 10.004 872 1HB LEU 114 2HB LEU 114 3.141 3.378 9.534 873 2HB LEU 114 1HB LEU 114 3.357 3.130 7.814 874 HG LEU 114 HG LEU 114 1.905 0.981 8.235 875 1HD1 LEU 114 1HD1 LEU 114 0.129 1.656 9.975 876 2HD1 LEU 114 2HD1 LEU 114 1.392 2.689 10.647 877 3HD1 LEU 114 3HD1 LEU 114 1.637 0.945 10.555 878 1HD2 LEU 114 1HD2 LEU 114 -0.085 2.317 7.749 879 2HD2 LEU 114 2HD2 LEU 114 1.306 2.863 6.810 880 3HD2 LEU 114 3HD2 LEU 114 0.786 3.770 8.223 881 H VAL 115 H VAL 115 5.849 1.557 6.960 882 HA VAL 115 HA VAL 115 4.450 -0.665 5.780 883 HB VAL 115 HB VAL 115 5.508 1.212 4.429 884 1HG1 VAL 115 1HG1 VAL 115 8.011 -0.429 4.619 885 2HG1 VAL 115 2HG1 VAL 115 7.732 0.963 5.660 886 3HG1 VAL 115 3HG1 VAL 115 7.791 1.172 3.914 887 1HG2 VAL 115 1HG2 VAL 115 4.606 -0.854 3.460 888 2HG2 VAL 115 2HG2 VAL 115 6.174 -1.631 3.680 889 3HG2 VAL 115 3HG2 VAL 115 6.012 -0.271 2.569 890 H GLU 116 H GLU 116 7.578 -0.147 7.303 891 HA GLU 116 HA GLU 116 8.701 -2.655 6.810 892 1HB GLU 116 2HB GLU 116 9.105 -0.651 9.021 893 2HB GLU 116 1HB GLU 116 10.034 -2.141 8.934 894 1HG GLU 116 2HG GLU 116 11.134 -1.494 7.002 895 2HG GLU 116 1HG GLU 116 9.910 -0.295 6.590 896 H ARG 117 H ARG 117 6.780 -1.533 9.592 897 HA ARG 117 HA ARG 117 6.898 -3.899 11.064 898 1HB ARG 117 2HB ARG 117 4.901 -3.078 12.238 899 2HB ARG 117 1HB ARG 117 6.120 -1.825 12.048 900 1HG ARG 117 2HG ARG 117 4.806 -1.057 10.020 901 2HG ARG 117 1HG ARG 117 3.523 -2.125 10.583 902 1HD ARG 117 2HD ARG 117 4.608 -0.401 12.670 903 2HD ARG 117 1HD ARG 117 3.875 0.486 11.343 904 HE ARG 117 HE ARG 117 1.887 -1.051 11.772 905 1HH1 ARG 117 1HH1 ARG 117 4.081 0.021 14.275 906 2HH1 ARG 117 2HH1 ARG 117 2.886 -0.059 15.523 907 1HH2 ARG 117 1HH2 ARG 117 0.318 -1.139 13.420 908 2HH2 ARG 117 2HH2 ARG 117 0.757 -0.717 15.041 909 H ALA 118 H ALA 118 5.086 -3.126 8.246 910 HA ALA 118 HA ALA 118 3.052 -5.085 8.542 911 1HB ALA 118 1HB ALA 118 2.764 -3.161 7.072 912 2HB ALA 118 2HB ALA 118 2.586 -4.668 6.173 913 3HB ALA 118 3HB ALA 118 4.079 -3.737 6.048 914 H ILE 119 H ILE 119 6.208 -5.025 7.002 915 HA ILE 119 HA ILE 119 5.986 -7.634 5.866 916 HB ILE 119 HB ILE 119 8.485 -6.025 6.349 917 1HG1 ILE 119 2HG1 ILE 119 7.250 -6.001 3.672 918 2HG1 ILE 119 1HG1 ILE 119 6.369 -5.114 4.916 919 1HG2 ILE 119 1HG2 ILE 119 7.848 -8.269 4.452 920 2HG2 ILE 119 2HG2 ILE 119 9.038 -8.257 5.756 921 3HG2 ILE 119 3HG2 ILE 119 9.280 -7.245 4.328 922 1HD1 ILE 119 1HD1 ILE 119 7.975 -3.542 5.120 923 2HD1 ILE 119 2HD1 ILE 119 8.289 -4.021 3.449 924 3HD1 ILE 119 3HD1 ILE 119 9.276 -4.679 4.758 925 H SER 120 H SER 120 7.176 -6.246 8.804 926 HA SER 120 HA SER 120 8.707 -8.437 9.716 927 1HB SER 120 2HB SER 120 8.738 -6.013 10.565 928 2HB SER 120 1HB SER 120 7.313 -6.452 11.508 929 HG SER 120 HG SER 120 9.797 -7.820 11.617 930 H HIS 121 H HIS 121 5.340 -7.470 10.160 931 HA HIS 121 HA HIS 121 4.714 -9.593 11.962 932 1HB HIS 121 2HB HIS 121 3.174 -7.496 10.510 933 2HB HIS 121 1HB HIS 121 2.292 -8.890 11.123 934 HD1 HIS 121 1HD HIS 121 4.621 -6.180 12.411 935 HD2 HIS 121 2HD HIS 121 1.602 -8.706 13.744 936 HE1 HIS 121 1HE HIS 121 4.159 -5.481 14.782 937 HE2 HIS 121 2HE HIS 121 2.346 -7.040 15.577 938 H TYR 122 H TYR 122 4.894 -9.293 8.540 939 HA TYR 122 HA TYR 122 3.146 -11.419 7.858 940 1HB TYR 122 2HB TYR 122 4.072 -9.528 6.352 941 2HB TYR 122 1HB TYR 122 5.481 -10.566 6.167 942 HD1 TYR 122 1HD TYR 122 5.483 -11.637 4.128 943 HD2 TYR 122 2HD TYR 122 1.783 -11.156 6.174 944 HE1 TYR 122 1HE TYR 122 4.340 -12.874 2.338 945 HE2 TYR 122 2HE TYR 122 0.629 -12.394 4.390 946 HH TYR 122 HH TYR 122 2.033 -14.325 2.285 947 H GLN 123 H GLN 123 6.702 -11.233 7.771 948 HA GLN 123 HA GLN 123 8.288 -12.876 7.716 949 1HB GLN 123 2HB GLN 123 8.352 -14.219 9.738 950 2HB GLN 123 1HB GLN 123 7.850 -12.579 10.112 951 1HG GLN 123 2HG GLN 123 5.497 -13.374 10.157 952 2HG GLN 123 1HG GLN 123 6.096 -15.018 9.949 953 1HE2 GLN 123 1HE2 GLN 123 5.123 -15.547 11.956 954 2HE2 GLN 123 2HE2 GLN 123 5.878 -15.115 13.449 955 H GLU 124 H GLU 124 8.364 -15.534 8.339 956 HA GLU 124 HA GLU 124 8.058 -17.588 7.418 957 1HB GLU 124 2HB GLU 124 5.795 -17.240 8.468 958 2HB GLU 124 1HB GLU 124 5.221 -16.694 6.898 959 1HG GLU 124 2HG GLU 124 5.498 -18.814 5.937 960 2HG GLU 124 1HG GLU 124 6.504 -19.378 7.270 Start of MODEL 4 1 1H MET 1 1HT MET 1 14.942 -19.126 4.372 2 2H MET 1 2HT MET 1 14.625 -18.653 2.754 3 3H MET 1 3HT MET 1 13.325 -18.932 3.840 4 HA MET 1 HA MET 1 14.202 -17.116 5.220 5 1HB MET 1 2HB MET 1 16.251 -17.322 3.199 6 2HB MET 1 1HB MET 1 15.576 -15.699 3.205 7 1HG MET 1 2HG MET 1 15.960 -16.361 5.893 8 2HG MET 1 1HG MET 1 17.399 -16.931 5.049 9 1HE MET 1 1HE MET 1 19.098 -15.421 3.805 10 2HE MET 1 2HE MET 1 18.825 -13.718 3.434 11 3HE MET 1 3HE MET 1 17.816 -14.957 2.690 12 H GLN 2 H GLN 2 13.364 -14.936 4.849 13 HA GLN 2 HA GLN 2 11.083 -15.006 3.077 14 1HB GLN 2 2HB GLN 2 11.806 -13.618 5.478 15 2HB GLN 2 1HB GLN 2 11.341 -12.442 4.256 16 1HG GLN 2 2HG GLN 2 9.372 -14.301 4.002 17 2HG GLN 2 1HG GLN 2 9.715 -14.373 5.730 18 1HE2 GLN 2 1HE2 GLN 2 8.116 -13.295 6.663 19 2HE2 GLN 2 2HE2 GLN 2 7.612 -11.691 6.258 20 H ARG 3 H ARG 3 10.641 -13.542 1.418 21 HA ARG 3 HA ARG 3 12.994 -12.558 0.068 22 1HB ARG 3 2HB ARG 3 11.281 -13.884 -1.150 23 2HB ARG 3 1HB ARG 3 10.131 -12.582 -0.878 24 1HG ARG 3 2HG ARG 3 10.838 -11.545 -2.694 25 2HG ARG 3 1HG ARG 3 12.476 -11.474 -2.042 26 1HD ARG 3 2HD ARG 3 12.982 -12.740 -3.833 27 2HD ARG 3 1HD ARG 3 12.372 -14.054 -2.834 28 HE ARG 3 HE ARG 3 10.787 -12.655 -4.890 29 1HH1 ARG 3 1HH1 ARG 3 11.554 -15.546 -3.071 30 2HH1 ARG 3 2HH1 ARG 3 10.411 -16.525 -3.926 31 1HH2 ARG 3 1HH2 ARG 3 9.292 -13.949 -5.999 32 2HH2 ARG 3 2HH2 ARG 3 9.130 -15.624 -5.584 33 H GLY 4 H GLY 4 10.259 -11.356 1.794 34 1HA GLY 4 2HA GLY 4 9.586 -9.235 2.360 35 2HA GLY 4 1HA GLY 4 11.290 -8.825 2.252 36 H ILE 5 H ILE 5 8.282 -9.045 0.445 37 HA ILE 5 HA ILE 5 9.432 -7.301 -1.626 38 HB ILE 5 HB ILE 5 6.863 -8.867 -1.803 39 1HG1 ILE 5 2HG1 ILE 5 8.487 -10.213 -3.450 40 2HG1 ILE 5 1HG1 ILE 5 9.686 -9.669 -2.279 41 1HG2 ILE 5 1HG2 ILE 5 7.935 -6.830 -3.398 42 2HG2 ILE 5 2HG2 ILE 5 6.561 -7.873 -3.761 43 3HG2 ILE 5 3HG2 ILE 5 8.178 -8.329 -4.295 44 1HD1 ILE 5 1HD1 ILE 5 8.508 -11.956 -1.968 45 2HD1 ILE 5 2HD1 ILE 5 7.184 -10.981 -1.331 46 3HD1 ILE 5 3HD1 ILE 5 8.775 -10.910 -0.573 47 H VAL 6 H VAL 6 9.005 -5.202 -1.292 48 HA VAL 6 HA VAL 6 6.405 -4.487 -0.109 49 HB VAL 6 HB VAL 6 8.270 -3.600 1.162 50 1HG1 VAL 6 1HG1 VAL 6 9.506 -3.332 -1.315 51 2HG1 VAL 6 2HG1 VAL 6 10.146 -2.823 0.244 52 3HG1 VAL 6 3HG1 VAL 6 9.253 -1.682 -0.764 53 1HG2 VAL 6 1HG2 VAL 6 6.180 -2.260 0.850 54 2HG2 VAL 6 2HG2 VAL 6 7.013 -1.361 -0.418 55 3HG2 VAL 6 3HG2 VAL 6 7.607 -1.301 1.243 56 H TRP 7 H TRP 7 4.914 -3.643 -1.371 57 HA TRP 7 HA TRP 7 5.764 -2.416 -3.906 58 1HB TRP 7 2HB TRP 7 3.416 -4.149 -3.218 59 2HB TRP 7 1HB TRP 7 3.313 -3.025 -4.573 60 HD1 TRP 7 HD1 TRP 7 6.762 -4.340 -4.218 61 HE1 TRP 7 1HE TRP 7 7.225 -6.151 -5.977 62 HE3 TRP 7 3HE TRP 7 1.976 -5.135 -5.839 63 HZ2 TRP 7 2HZ TRP 7 5.762 -7.713 -7.808 64 HZ3 TRP 7 3HZ TRP 7 1.599 -6.810 -7.602 65 HH2 TRP 7 HH2 TRP 7 3.456 -8.071 -8.563 66 H VAL 8 H VAL 8 5.059 -0.421 -4.409 67 HA VAL 8 HA VAL 8 3.203 0.898 -2.533 68 HB VAL 8 HB VAL 8 5.122 2.736 -3.701 69 1HG1 VAL 8 1HG1 VAL 8 5.343 3.480 -1.396 70 2HG1 VAL 8 2HG1 VAL 8 4.453 2.061 -0.843 71 3HG1 VAL 8 3HG1 VAL 8 3.650 3.276 -1.843 72 1HG2 VAL 8 1HG2 VAL 8 6.189 0.337 -2.278 73 2HG2 VAL 8 2HG2 VAL 8 6.956 1.906 -2.042 74 3HG2 VAL 8 3HG2 VAL 8 6.844 1.217 -3.666 75 H VAL 9 H VAL 9 1.762 2.336 -3.413 76 HA VAL 9 HA VAL 9 1.894 2.672 -6.335 77 HB VAL 9 HB VAL 9 -0.767 2.951 -5.105 78 1HG1 VAL 9 1HG1 VAL 9 -0.300 1.091 -7.341 79 2HG1 VAL 9 2HG1 VAL 9 0.186 2.764 -7.624 80 3HG1 VAL 9 3HG1 VAL 9 -1.459 2.389 -7.153 81 1HG2 VAL 9 1HG2 VAL 9 -0.949 0.334 -5.322 82 2HG2 VAL 9 2HG2 VAL 9 -0.443 1.090 -3.811 83 3HG2 VAL 9 3HG2 VAL 9 0.764 0.406 -4.903 84 H ASP 10 H ASP 10 2.643 4.680 -6.608 85 HA ASP 10 HA ASP 10 1.058 6.916 -5.956 86 1HB ASP 10 2HB ASP 10 2.337 6.217 -3.742 87 2HB ASP 10 1HB ASP 10 3.650 7.102 -4.506 88 H ASP 11 H ASP 11 1.272 8.057 -7.667 89 HA ASP 11 HA ASP 11 2.072 9.005 -9.554 90 1HB ASP 11 2HB ASP 11 3.346 10.103 -7.404 91 2HB ASP 11 1HB ASP 11 4.706 9.648 -8.420 92 H ASP 12 H ASP 12 5.316 8.075 -8.534 93 HA ASP 12 HA ASP 12 5.726 5.702 -9.804 94 1HB ASP 12 2HB ASP 12 4.851 7.106 -11.813 95 2HB ASP 12 1HB ASP 12 6.447 7.833 -11.806 96 H SER 13 H SER 13 8.071 7.343 -11.398 97 HA SER 13 HA SER 13 10.206 6.617 -9.953 98 1HB SER 13 2HB SER 13 9.878 9.151 -11.546 99 2HB SER 13 1HB SER 13 11.435 8.521 -11.005 100 HG SER 13 HG SER 13 10.549 6.498 -12.153 101 H SER 14 H SER 14 8.414 9.599 -9.484 102 HA SER 14 HA SER 14 10.028 10.848 -7.611 103 1HB SER 14 2HB SER 14 7.093 10.904 -8.172 104 2HB SER 14 1HB SER 14 7.676 11.673 -6.698 105 HG SER 14 HG SER 14 7.597 13.083 -8.546 106 H ILE 15 H ILE 15 7.158 8.878 -6.845 107 HA ILE 15 HA ILE 15 7.898 8.631 -4.111 108 HB ILE 15 HB ILE 15 5.827 7.066 -5.661 109 1HG1 ILE 15 2HG1 ILE 15 5.586 9.573 -5.665 110 2HG1 ILE 15 1HG1 ILE 15 4.241 8.714 -4.930 111 1HG2 ILE 15 1HG2 ILE 15 4.944 7.167 -3.100 112 2HG2 ILE 15 2HG2 ILE 15 6.686 7.074 -2.844 113 3HG2 ILE 15 3HG2 ILE 15 5.866 5.823 -3.776 114 1HD1 ILE 15 1HD1 ILE 15 6.286 9.449 -3.004 115 2HD1 ILE 15 2HD1 ILE 15 4.544 9.727 -2.974 116 3HD1 ILE 15 3HD1 ILE 15 5.600 10.835 -3.851 117 H ARG 16 H ARG 16 8.709 6.967 -6.976 118 HA ARG 16 HA ARG 16 9.374 4.441 -5.837 119 1HB ARG 16 2HB ARG 16 8.895 4.845 -8.272 120 2HB ARG 16 1HB ARG 16 10.437 5.679 -8.377 121 1HG ARG 16 2HG ARG 16 10.452 2.920 -7.305 122 2HG ARG 16 1HG ARG 16 10.151 3.129 -9.025 123 1HD ARG 16 2HD ARG 16 12.414 4.637 -7.845 124 2HD ARG 16 1HD ARG 16 12.604 2.891 -8.005 125 HE ARG 16 HE ARG 16 11.645 3.960 -10.429 126 1HH1 ARG 16 1HH1 ARG 16 14.544 3.866 -8.483 127 2HH1 ARG 16 2HH1 ARG 16 15.608 4.062 -9.835 128 1HH2 ARG 16 1HH2 ARG 16 13.047 4.217 -12.208 129 2HH2 ARG 16 2HH2 ARG 16 14.759 4.261 -11.949 130 H TRP 17 H TRP 17 11.003 7.476 -6.284 131 HA TRP 17 HA TRP 17 13.622 6.502 -5.801 132 1HB TRP 17 2HB TRP 17 13.153 8.614 -7.002 133 2HB TRP 17 1HB TRP 17 12.557 9.314 -5.499 134 HD1 TRP 17 HD1 TRP 17 15.858 7.762 -6.833 135 HE1 TRP 17 1HE TRP 17 17.817 9.015 -5.731 136 HE3 TRP 17 3HE TRP 17 13.211 10.880 -3.769 137 HZ2 TRP 17 2HZ TRP 17 18.191 11.055 -3.816 138 HZ3 TRP 17 3HZ TRP 17 14.442 12.450 -2.332 139 HH2 TRP 17 HH2 TRP 17 16.881 12.537 -2.357 140 H VAL 18 H VAL 18 11.452 8.473 -3.784 141 HA VAL 18 HA VAL 18 13.041 8.437 -1.499 142 HB VAL 18 HB VAL 18 10.110 8.591 -1.090 143 1HG1 VAL 18 1HG1 VAL 18 12.560 9.588 0.114 144 2HG1 VAL 18 2HG1 VAL 18 10.957 9.380 0.814 145 3HG1 VAL 18 3HG1 VAL 18 11.338 10.845 -0.087 146 1HG2 VAL 18 1HG2 VAL 18 10.578 11.121 -1.900 147 2HG2 VAL 18 2HG2 VAL 18 9.870 9.882 -2.934 148 3HG2 VAL 18 3HG2 VAL 18 11.592 10.238 -3.040 149 H LEU 19 H LEU 19 10.046 6.588 -1.878 150 HA LEU 19 HA LEU 19 10.443 5.111 0.481 151 1HB LEU 19 2HB LEU 19 8.333 5.549 -1.173 152 2HB LEU 19 1HB LEU 19 8.698 3.871 -1.515 153 HG LEU 19 HG LEU 19 6.968 4.134 0.215 154 1HD1 LEU 19 1HD1 LEU 19 8.614 2.917 2.051 155 2HD1 LEU 19 2HD1 LEU 19 9.439 2.633 0.520 156 3HD1 LEU 19 3HD1 LEU 19 7.765 2.121 0.726 157 1HD2 LEU 19 1HD2 LEU 19 9.145 5.303 1.935 158 2HD2 LEU 19 2HD2 LEU 19 7.453 5.047 2.367 159 3HD2 LEU 19 3HD2 LEU 19 7.883 6.249 1.152 160 H GLU 20 H GLU 20 10.827 4.081 -2.873 161 HA GLU 20 HA GLU 20 11.527 1.426 -2.276 162 1HB GLU 20 2HB GLU 20 12.459 2.821 -4.726 163 2HB GLU 20 1HB GLU 20 11.894 1.171 -4.556 164 1HG GLU 20 2HG GLU 20 10.268 3.659 -4.423 165 2HG GLU 20 1HG GLU 20 10.310 2.512 -5.756 166 H ARG 21 H ARG 21 13.576 4.003 -3.576 167 HA ARG 21 HA ARG 21 15.986 2.676 -3.488 168 1HB ARG 21 2HB ARG 21 15.485 5.590 -2.919 169 2HB ARG 21 1HB ARG 21 17.079 4.912 -3.195 170 1HG ARG 21 2HG ARG 21 15.178 4.222 -5.291 171 2HG ARG 21 1HG ARG 21 15.418 5.960 -5.114 172 1HD ARG 21 2HD ARG 21 17.898 5.511 -5.182 173 2HD ARG 21 1HD ARG 21 17.506 3.851 -5.630 174 HE ARG 21 HE ARG 21 16.334 5.909 -7.301 175 1HH1 ARG 21 1HH1 ARG 21 19.000 3.699 -6.835 176 2HH1 ARG 21 2HH1 ARG 21 19.453 3.700 -8.506 177 1HH2 ARG 21 1HH2 ARG 21 16.936 5.910 -9.497 178 2HH2 ARG 21 2HH2 ARG 21 18.285 4.956 -10.016 179 H ALA 22 H ALA 22 14.503 4.463 -0.807 180 HA ALA 22 HA ALA 22 16.653 3.921 0.980 181 1HB ALA 22 1HB ALA 22 15.320 4.935 2.680 182 2HB ALA 22 2HB ALA 22 13.848 4.708 1.733 183 3HB ALA 22 3HB ALA 22 15.075 5.858 1.197 184 H LEU 23 H LEU 23 13.747 2.296 0.071 185 HA LEU 23 HA LEU 23 13.806 0.469 2.297 186 1HB LEU 23 2HB LEU 23 11.737 1.241 1.006 187 2HB LEU 23 1HB LEU 23 12.237 0.119 -0.243 188 HG LEU 23 HG LEU 23 11.780 -1.745 1.072 189 1HD1 LEU 23 1HD1 LEU 23 12.061 0.122 3.393 190 2HD1 LEU 23 2HD1 LEU 23 12.880 -1.409 3.088 191 3HD1 LEU 23 3HD1 LEU 23 11.183 -1.399 3.566 192 1HD2 LEU 23 1HD2 LEU 23 9.717 0.194 2.070 193 2HD2 LEU 23 2HD2 LEU 23 9.525 -1.521 1.706 194 3HD2 LEU 23 3HD2 LEU 23 9.779 -0.363 0.398 195 H ALA 24 H ALA 24 15.167 0.678 -0.848 196 HA ALA 24 HA ALA 24 15.656 -2.089 -1.256 197 1HB ALA 24 1HB ALA 24 15.915 0.173 -2.803 198 2HB ALA 24 2HB ALA 24 16.501 -1.434 -3.234 199 3HB ALA 24 3HB ALA 24 17.593 -0.271 -2.481 200 H GLY 25 H GLY 25 17.310 0.569 0.346 201 1HA GLY 25 2HA GLY 25 19.795 -0.698 0.782 202 2HA GLY 25 1HA GLY 25 19.107 0.575 1.784 203 H ALA 26 H ALA 26 16.676 -1.064 2.268 204 HA ALA 26 HA ALA 26 17.615 -2.430 4.598 205 1HB ALA 26 1HB ALA 26 14.960 -1.767 3.441 206 2HB ALA 26 2HB ALA 26 15.604 -1.442 5.051 207 3HB ALA 26 3HB ALA 26 15.056 -3.065 4.633 208 H GLY 27 H GLY 27 17.075 -3.306 1.347 209 1HA GLY 27 2HA GLY 27 17.780 -5.380 0.476 210 2HA GLY 27 1HA GLY 27 17.545 -6.097 2.057 211 H LEU 28 H LEU 28 14.963 -4.170 0.573 212 HA LEU 28 HA LEU 28 13.569 -6.710 0.123 213 1HB LEU 28 2HB LEU 28 11.984 -4.261 0.619 214 2HB LEU 28 1HB LEU 28 11.623 -5.927 1.018 215 HG LEU 28 HG LEU 28 13.669 -5.528 2.693 216 1HD1 LEU 28 1HD1 LEU 28 14.305 -3.408 2.516 217 2HD1 LEU 28 2HD1 LEU 28 12.956 -3.152 3.624 218 3HD1 LEU 28 3HD1 LEU 28 12.745 -2.887 1.892 219 1HD2 LEU 28 1HD2 LEU 28 11.080 -6.058 2.971 220 2HD2 LEU 28 2HD2 LEU 28 11.093 -4.418 3.622 221 3HD2 LEU 28 3HD2 LEU 28 12.119 -5.659 4.343 222 H THR 29 H THR 29 11.695 -6.555 -1.434 223 HA THR 29 HA THR 29 12.663 -5.305 -3.872 224 HB THR 29 HB THR 29 10.213 -7.019 -3.387 225 HG1 THR 29 1HG THR 29 12.686 -7.759 -4.548 226 1HG2 THR 29 1HG2 THR 29 9.741 -6.007 -5.407 227 2HG2 THR 29 2HG2 THR 29 10.558 -7.492 -5.887 228 3HG2 THR 29 3HG2 THR 29 11.435 -5.961 -5.898 229 H CYS 30 H CYS 30 12.285 -3.196 -3.983 230 HA CYS 30 HA CYS 30 9.658 -2.139 -3.179 231 1HB CYS 30 2HB CYS 30 10.923 0.081 -3.351 232 2HB CYS 30 1HB CYS 30 11.323 -0.986 -2.012 233 HG CYS 30 HG CYS 30 13.637 -0.717 -2.762 234 H THR 31 H THR 31 8.275 -2.044 -4.829 235 HA THR 31 HA THR 31 9.230 -0.835 -7.337 236 HB THR 31 HB THR 31 8.655 -3.367 -7.440 237 HG1 THR 31 1HG THR 31 8.849 -2.023 -9.282 238 1HG2 THR 31 1HG2 THR 31 6.600 -4.103 -7.110 239 2HG2 THR 31 2HG2 THR 31 5.904 -2.814 -8.087 240 3HG2 THR 31 3HG2 THR 31 6.232 -2.544 -6.373 241 H THR 32 H THR 32 7.651 0.522 -8.421 242 HA THR 32 HA THR 32 5.485 1.347 -6.617 243 HB THR 32 HB THR 32 5.843 3.651 -7.289 244 HG1 THR 32 1HG THR 32 6.930 4.033 -9.027 245 1HG2 THR 32 1HG2 THR 32 7.503 4.019 -5.839 246 2HG2 THR 32 2HG2 THR 32 8.601 2.903 -6.650 247 3HG2 THR 32 3HG2 THR 32 7.369 2.279 -5.544 248 H PHE 33 H PHE 33 3.747 2.584 -7.640 249 HA PHE 33 HA PHE 33 3.227 1.764 -10.403 250 1HB PHE 33 2HB PHE 33 1.378 1.382 -8.063 251 2HB PHE 33 1HB PHE 33 0.970 1.048 -9.735 252 HD1 PHE 33 1HD PHE 33 3.383 0.155 -7.074 253 HD2 PHE 33 2HD PHE 33 1.405 -1.077 -10.620 254 HE1 PHE 33 1HE PHE 33 4.336 -2.092 -6.813 255 HE2 PHE 33 2HE PHE 33 2.356 -3.324 -10.377 256 HZ PHE 33 HZ PHE 33 3.820 -3.844 -8.477 257 H GLU 34 H GLU 34 1.083 2.806 -11.187 258 HA GLU 34 HA GLU 34 1.463 5.580 -11.208 259 1HB GLU 34 2HB GLU 34 -0.483 5.699 -12.604 260 2HB GLU 34 1HB GLU 34 0.420 4.252 -13.033 261 1HG GLU 34 2HG GLU 34 -1.264 3.201 -11.241 262 2HG GLU 34 1HG GLU 34 -2.256 4.533 -11.823 263 H ASN 35 H ASN 35 -1.192 3.733 -9.618 264 HA ASN 35 HA ASN 35 -1.332 5.610 -7.503 265 1HB ASN 35 2HB ASN 35 -3.074 6.033 -9.830 266 2HB ASN 35 1HB ASN 35 -3.895 6.066 -8.273 267 1HD2 ASN 35 1HD2 ASN 35 -3.501 8.234 -10.108 268 2HD2 ASN 35 2HD2 ASN 35 -2.598 9.445 -9.270 269 H GLY 36 H GLY 36 -2.658 2.872 -9.172 270 1HA GLY 36 2HA GLY 36 -3.102 1.408 -6.850 271 2HA GLY 36 1HA GLY 36 -4.624 2.182 -7.249 272 H ASN 37 H ASN 37 -5.101 1.950 -9.755 273 HA ASN 37 HA ASN 37 -5.758 -0.679 -10.203 274 1HB ASN 37 2HB ASN 37 -6.178 1.717 -11.524 275 2HB ASN 37 1HB ASN 37 -5.332 0.724 -12.706 276 1HD2 ASN 37 1HD2 ASN 37 -7.866 0.265 -10.248 277 2HD2 ASN 37 2HD2 ASN 37 -8.938 -0.627 -11.271 278 H GLU 38 H GLU 38 -2.763 0.933 -10.864 279 HA GLU 38 HA GLU 38 -1.665 -0.826 -12.737 280 1HB GLU 38 2HB GLU 38 -0.768 1.426 -11.850 281 2HB GLU 38 1HB GLU 38 -0.042 0.468 -10.577 282 1HG GLU 38 2HG GLU 38 1.703 0.213 -11.915 283 2HG GLU 38 1HG GLU 38 0.692 -0.855 -12.887 284 H VAL 39 H VAL 39 -1.158 -0.834 -9.153 285 HA VAL 39 HA VAL 39 0.289 -3.190 -8.996 286 HB VAL 39 HB VAL 39 -1.851 -2.551 -6.980 287 1HG1 VAL 39 1HG1 VAL 39 -0.049 -4.586 -7.106 288 2HG1 VAL 39 2HG1 VAL 39 -0.785 -3.974 -5.625 289 3HG1 VAL 39 3HG1 VAL 39 0.810 -3.407 -6.118 290 1HG2 VAL 39 1HG2 VAL 39 0.778 -1.194 -7.424 291 2HG2 VAL 39 2HG2 VAL 39 0.000 -1.233 -5.847 292 3HG2 VAL 39 3HG2 VAL 39 -0.815 -0.474 -7.215 293 H LEU 40 H LEU 40 -3.197 -2.782 -9.256 294 HA LEU 40 HA LEU 40 -4.051 -5.349 -8.676 295 1HB LEU 40 2HB LEU 40 -5.246 -3.705 -10.891 296 2HB LEU 40 1HB LEU 40 -6.053 -4.846 -9.833 297 HG LEU 40 HG LEU 40 -5.002 -2.121 -9.072 298 1HD1 LEU 40 1HD1 LEU 40 -7.555 -3.128 -9.996 299 2HD1 LEU 40 2HD1 LEU 40 -7.003 -1.471 -9.785 300 3HD1 LEU 40 3HD1 LEU 40 -7.674 -2.345 -8.426 301 1HD2 LEU 40 1HD2 LEU 40 -6.661 -3.371 -7.090 302 2HD2 LEU 40 2HD2 LEU 40 -5.032 -2.709 -6.931 303 3HD2 LEU 40 3HD2 LEU 40 -5.257 -4.384 -7.434 304 H ALA 41 H ALA 41 -2.908 -4.055 -11.769 305 HA ALA 41 HA ALA 41 -3.367 -6.425 -13.246 306 1HB ALA 41 1HB ALA 41 -2.185 -5.385 -15.020 307 2HB ALA 41 2HB ALA 41 -1.370 -4.285 -13.908 308 3HB ALA 41 3HB ALA 41 -3.103 -4.123 -14.201 309 H ALA 42 H ALA 42 -0.455 -5.052 -11.825 310 HA ALA 42 HA ALA 42 1.257 -7.163 -12.597 311 1HB ALA 42 1HB ALA 42 2.855 -5.811 -11.845 312 2HB ALA 42 2HB ALA 42 2.174 -5.792 -10.216 313 3HB ALA 42 3HB ALA 42 1.582 -4.662 -11.435 314 H LEU 43 H LEU 43 -0.708 -6.592 -9.738 315 HA LEU 43 HA LEU 43 0.385 -8.561 -8.075 316 1HB LEU 43 2HB LEU 43 -2.261 -7.193 -8.235 317 2HB LEU 43 1HB LEU 43 -2.106 -8.606 -7.207 318 HG LEU 43 HG LEU 43 -0.290 -6.228 -6.956 319 1HD1 LEU 43 1HD1 LEU 43 -2.805 -6.817 -5.405 320 2HD1 LEU 43 2HD1 LEU 43 -2.622 -5.526 -6.591 321 3HD1 LEU 43 3HD1 LEU 43 -1.683 -5.500 -5.099 322 1HD2 LEU 43 1HD2 LEU 43 0.754 -7.899 -5.825 323 2HD2 LEU 43 2HD2 LEU 43 -0.748 -8.770 -5.509 324 3HD2 LEU 43 3HD2 LEU 43 -0.338 -7.339 -4.559 325 H ALA 44 H ALA 44 -1.708 -8.777 -10.801 326 HA ALA 44 HA ALA 44 -2.948 -11.228 -10.377 327 1HB ALA 44 1HB ALA 44 -2.023 -10.535 -13.118 328 2HB ALA 44 2HB ALA 44 -3.146 -9.445 -12.307 329 3HB ALA 44 3HB ALA 44 -3.591 -11.130 -12.571 330 H SER 45 H SER 45 0.351 -10.532 -11.009 331 HA SER 45 HA SER 45 0.879 -13.376 -11.408 332 1HB SER 45 2HB SER 45 1.922 -11.004 -12.831 333 2HB SER 45 1HB SER 45 3.090 -12.276 -12.479 334 HG SER 45 HG SER 45 1.871 -13.709 -13.641 335 H LYS 46 H LYS 46 1.072 -11.098 -9.111 336 HA LYS 46 HA LYS 46 3.090 -12.507 -7.675 337 1HB LYS 46 2HB LYS 46 4.019 -10.463 -9.307 338 2HB LYS 46 1HB LYS 46 3.923 -9.725 -7.717 339 1HG LYS 46 2HG LYS 46 5.114 -12.254 -7.370 340 2HG LYS 46 1HG LYS 46 5.896 -11.492 -8.756 341 1HD LYS 46 2HD LYS 46 5.721 -9.430 -6.953 342 2HD LYS 46 1HD LYS 46 6.038 -10.820 -5.916 343 1HE LYS 46 2HE LYS 46 8.189 -10.368 -6.406 344 2HE LYS 46 1HE LYS 46 7.831 -11.270 -7.877 345 1HZ LYS 46 1HZ LYS 46 7.751 -8.316 -7.565 346 2HZ LYS 46 2HZ LYS 46 7.321 -9.151 -8.973 347 3HZ LYS 46 3HZ LYS 46 8.916 -9.203 -8.412 348 H THR 47 H THR 47 3.347 -11.716 -5.460 349 HA THR 47 HA THR 47 1.281 -9.858 -4.601 350 HB THR 47 HB THR 47 1.722 -12.582 -3.381 351 HG1 THR 47 1HG THR 47 -0.406 -11.506 -4.907 352 1HG2 THR 47 1HG2 THR 47 -0.452 -10.649 -2.669 353 2HG2 THR 47 2HG2 THR 47 1.070 -10.737 -1.779 354 3HG2 THR 47 3HG2 THR 47 0.004 -12.141 -1.851 355 HA PRO 48 HA PRO 48 4.956 -8.556 -2.310 356 1HB PRO 48 2HB PRO 48 3.981 -6.164 -1.539 357 2HB PRO 48 1HB PRO 48 4.543 -6.451 -3.190 358 1HG PRO 48 2HG PRO 48 1.744 -6.467 -2.117 359 2HG PRO 48 1HG PRO 48 2.365 -5.715 -3.599 360 1HD PRO 48 2HD PRO 48 1.091 -8.104 -3.595 361 2HD PRO 48 1HD PRO 48 2.368 -7.704 -4.756 362 H ASP 49 H ASP 49 5.416 -8.239 -0.071 363 HA ASP 49 HA ASP 49 3.536 -9.537 1.674 364 1HB ASP 49 2HB ASP 49 6.302 -8.409 2.066 365 2HB ASP 49 1HB ASP 49 5.350 -9.013 3.419 366 H VAL 50 H VAL 50 4.354 -6.260 0.897 367 HA VAL 50 HA VAL 50 2.327 -5.325 2.775 368 HB VAL 50 HB VAL 50 4.374 -5.225 4.085 369 1HG1 VAL 50 1HG1 VAL 50 5.601 -4.702 1.680 370 2HG1 VAL 50 2HG1 VAL 50 6.362 -4.630 3.268 371 3HG1 VAL 50 3HG1 VAL 50 5.718 -3.162 2.537 372 1HG2 VAL 50 1HG2 VAL 50 3.004 -3.493 4.746 373 2HG2 VAL 50 2HG2 VAL 50 3.122 -2.662 3.196 374 3HG2 VAL 50 3HG2 VAL 50 4.480 -2.627 4.320 375 H LEU 51 H LEU 51 1.046 -4.574 1.076 376 HA LEU 51 HA LEU 51 2.236 -2.852 -0.933 377 1HB LEU 51 2HB LEU 51 0.473 -4.536 -1.504 378 2HB LEU 51 1HB LEU 51 -0.673 -3.564 -0.597 379 HG LEU 51 HG LEU 51 -0.184 -1.658 -2.156 380 1HD1 LEU 51 1HD1 LEU 51 2.031 -2.774 -2.864 381 2HD1 LEU 51 2HD1 LEU 51 1.084 -1.914 -4.075 382 3HD1 LEU 51 3HD1 LEU 51 1.030 -3.675 -4.000 383 1HD2 LEU 51 1HD2 LEU 51 -1.155 -4.044 -3.690 384 2HD2 LEU 51 2HD2 LEU 51 -1.708 -2.372 -3.772 385 3HD2 LEU 51 3HD2 LEU 51 -2.092 -3.359 -2.362 386 H LEU 52 H LEU 52 1.768 -0.713 -1.272 387 HA LEU 52 HA LEU 52 0.312 0.715 0.854 388 1HB LEU 52 2HB LEU 52 3.050 0.707 0.582 389 2HB LEU 52 1HB LEU 52 2.602 2.120 -0.347 390 HG LEU 52 HG LEU 52 1.795 1.692 2.525 391 1HD1 LEU 52 1HD1 LEU 52 4.226 1.793 2.334 392 2HD1 LEU 52 2HD1 LEU 52 3.580 3.241 3.105 393 3HD1 LEU 52 3HD1 LEU 52 4.094 3.295 1.418 394 1HD2 LEU 52 1HD2 LEU 52 0.880 3.490 0.593 395 2HD2 LEU 52 2HD2 LEU 52 1.992 4.413 1.607 396 3HD2 LEU 52 3HD2 LEU 52 0.623 3.573 2.335 397 H SER 53 H SER 53 -1.403 1.681 -0.157 398 HA SER 53 HA SER 53 -0.939 2.707 -2.878 399 1HB SER 53 2HB SER 53 -2.552 0.920 -2.946 400 2HB SER 53 1HB SER 53 -3.493 1.659 -1.653 401 HG SER 53 HG SER 53 -2.989 3.010 -4.080 402 H ASP 54 H ASP 54 -1.662 4.707 -3.469 403 HA ASP 54 HA ASP 54 -1.953 6.592 -1.303 404 1HB ASP 54 2HB ASP 54 -0.587 6.901 -3.485 405 2HB ASP 54 1HB ASP 54 -2.139 7.309 -4.213 406 H ILE 55 H ILE 55 -3.568 8.389 -1.564 407 HA ILE 55 HA ILE 55 -6.108 7.536 -2.707 408 HB ILE 55 HB ILE 55 -6.387 6.718 -0.518 409 1HG1 ILE 55 2HG1 ILE 55 -7.594 9.436 -0.158 410 2HG1 ILE 55 1HG1 ILE 55 -8.149 8.391 -1.458 411 1HG2 ILE 55 1HG2 ILE 55 -4.527 7.667 0.608 412 2HG2 ILE 55 2HG2 ILE 55 -5.984 8.108 1.501 413 3HG2 ILE 55 3HG2 ILE 55 -5.194 9.295 0.457 414 1HD1 ILE 55 1HD1 ILE 55 -8.191 7.766 1.481 415 2HD1 ILE 55 2HD1 ILE 55 -8.670 6.650 0.204 416 3HD1 ILE 55 3HD1 ILE 55 -9.578 8.142 0.458 417 H ARG 56 H ARG 56 -5.807 9.204 -4.227 418 HA ARG 56 HA ARG 56 -6.083 11.919 -3.122 419 1HB ARG 56 2HB ARG 56 -5.090 12.695 -5.325 420 2HB ARG 56 1HB ARG 56 -3.984 11.885 -4.227 421 1HG ARG 56 2HG ARG 56 -4.412 9.777 -5.554 422 2HG ARG 56 1HG ARG 56 -5.225 10.803 -6.738 423 1HD ARG 56 2HD ARG 56 -2.348 10.975 -5.850 424 2HD ARG 56 1HD ARG 56 -2.942 10.459 -7.425 425 HE ARG 56 HE ARG 56 -3.478 12.696 -7.934 426 1HH1 ARG 56 1HH1 ARG 56 -1.935 12.384 -4.810 427 2HH1 ARG 56 2HH1 ARG 56 -1.509 14.060 -4.722 428 1HH2 ARG 56 1HH2 ARG 56 -2.915 14.895 -7.809 429 2HH2 ARG 56 2HH2 ARG 56 -2.065 15.483 -6.418 430 H MET 57 H MET 57 -8.235 10.146 -3.565 431 HA MET 57 HA MET 57 -10.328 10.147 -4.409 432 1HB MET 57 2HB MET 57 -10.037 12.634 -3.985 433 2HB MET 57 1HB MET 57 -9.706 12.793 -5.705 434 1HG MET 57 2HG MET 57 -12.016 11.399 -5.777 435 2HG MET 57 1HG MET 57 -12.243 12.328 -4.297 436 1HE MET 57 1HE MET 57 -14.528 13.917 -6.464 437 2HE MET 57 2HE MET 57 -13.907 15.036 -5.250 438 3HE MET 57 3HE MET 57 -14.081 13.325 -4.863 439 HA PRO 58 HA PRO 58 -8.463 9.173 -8.706 440 1HB PRO 58 2HB PRO 58 -8.398 6.443 -8.385 441 2HB PRO 58 1HB PRO 58 -7.008 7.500 -8.127 442 1HG PRO 58 2HG PRO 58 -8.856 6.273 -6.123 443 2HG PRO 58 1HG PRO 58 -7.107 6.543 -6.029 444 1HD PRO 58 2HD PRO 58 -8.913 8.126 -4.781 445 2HD PRO 58 1HD PRO 58 -7.351 8.725 -5.358 446 H GLY 59 H GLY 59 -10.293 6.517 -7.246 447 1HA GLY 59 2HA GLY 59 -12.524 7.107 -9.089 448 2HA GLY 59 1HA GLY 59 -12.098 5.489 -8.531 449 H MET 60 H MET 60 -12.485 4.928 -6.348 450 HA MET 60 HA MET 60 -14.746 6.339 -5.174 451 1HB MET 60 2HB MET 60 -14.660 3.802 -5.359 452 2HB MET 60 1HB MET 60 -13.409 3.840 -4.123 453 1HG MET 60 2HG MET 60 -15.028 3.707 -2.626 454 2HG MET 60 1HG MET 60 -15.438 5.368 -3.048 455 1HE MET 60 1HE MET 60 -17.239 6.125 -4.490 456 2HE MET 60 2HE MET 60 -18.103 5.643 -3.030 457 3HE MET 60 3HE MET 60 -18.759 5.239 -4.617 458 H ASP 61 H ASP 61 -12.905 8.051 -5.029 459 HA ASP 61 HA ASP 61 -11.712 9.455 -3.758 460 1HB ASP 61 2HB ASP 61 -13.438 8.087 -1.891 461 2HB ASP 61 1HB ASP 61 -11.940 8.623 -1.130 462 H GLY 62 H GLY 62 -11.245 6.088 -2.748 463 1HA GLY 62 2HA GLY 62 -8.547 5.969 -3.306 464 2HA GLY 62 1HA GLY 62 -8.668 6.500 -1.639 465 H LEU 63 H LEU 63 -11.171 4.992 -1.227 466 HA LEU 63 HA LEU 63 -9.968 2.544 -0.427 467 1HB LEU 63 2HB LEU 63 -12.930 2.943 -0.457 468 2HB LEU 63 1HB LEU 63 -11.953 2.032 0.676 469 HG LEU 63 HG LEU 63 -11.003 4.499 1.164 470 1HD1 LEU 63 1HD1 LEU 63 -12.220 6.036 0.111 471 2HD1 LEU 63 2HD1 LEU 63 -13.472 5.672 1.301 472 3HD1 LEU 63 3HD1 LEU 63 -13.501 4.885 -0.277 473 1HD2 LEU 63 1HD2 LEU 63 -12.199 2.679 2.607 474 2HD2 LEU 63 2HD2 LEU 63 -13.568 3.776 2.479 475 3HD2 LEU 63 3HD2 LEU 63 -12.053 4.338 3.187 476 H ALA 64 H ALA 64 -11.474 3.626 -3.302 477 HA ALA 64 HA ALA 64 -12.682 1.315 -4.294 478 1HB ALA 64 1HB ALA 64 -11.408 2.389 -6.498 479 2HB ALA 64 2HB ALA 64 -11.584 3.762 -5.405 480 3HB ALA 64 3HB ALA 64 -13.003 2.837 -5.899 481 H LEU 65 H LEU 65 -9.319 2.105 -3.888 482 HA LEU 65 HA LEU 65 -8.234 0.150 -5.608 483 1HB LEU 65 2HB LEU 65 -7.084 1.593 -3.230 484 2HB LEU 65 1HB LEU 65 -6.159 0.454 -4.187 485 HG LEU 65 HG LEU 65 -5.501 2.414 -5.158 486 1HD1 LEU 65 1HD1 LEU 65 -6.755 0.923 -6.816 487 2HD1 LEU 65 2HD1 LEU 65 -6.419 2.588 -7.296 488 3HD1 LEU 65 3HD1 LEU 65 -8.032 2.139 -6.742 489 1HD2 LEU 65 1HD2 LEU 65 -7.255 4.280 -5.596 490 2HD2 LEU 65 2HD2 LEU 65 -6.593 4.062 -3.976 491 3HD2 LEU 65 3HD2 LEU 65 -8.191 3.433 -4.368 492 H LEU 66 H LEU 66 -9.575 -0.030 -2.426 493 HA LEU 66 HA LEU 66 -8.289 -2.524 -1.767 494 1HB LEU 66 2HB LEU 66 -10.809 -1.557 -0.456 495 2HB LEU 66 1HB LEU 66 -9.488 -2.481 0.235 496 HG LEU 66 HG LEU 66 -9.060 0.356 -0.643 497 1HD1 LEU 66 1HD1 LEU 66 -9.462 0.161 2.178 498 2HD1 LEU 66 2HD1 LEU 66 -10.899 -0.411 1.330 499 3HD1 LEU 66 3HD1 LEU 66 -10.266 1.201 1.004 500 1HD2 LEU 66 1HD2 LEU 66 -7.666 -1.639 1.070 501 2HD2 LEU 66 2HD2 LEU 66 -7.486 0.078 1.432 502 3HD2 LEU 66 3HD2 LEU 66 -7.013 -0.546 -0.148 503 H LYS 67 H LYS 67 -11.485 -1.472 -2.841 504 HA LYS 67 HA LYS 67 -12.878 -3.824 -2.927 505 1HB LYS 67 2HB LYS 67 -12.900 -1.762 -5.137 506 2HB LYS 67 1HB LYS 67 -14.194 -2.878 -4.722 507 1HG LYS 67 2HG LYS 67 -13.818 -1.588 -2.361 508 2HG LYS 67 1HG LYS 67 -13.462 -0.312 -3.524 509 1HD LYS 67 2HD LYS 67 -15.651 -0.005 -3.771 510 2HD LYS 67 1HD LYS 67 -15.754 -1.614 -4.487 511 1HE LYS 67 2HE LYS 67 -15.927 -2.508 -2.127 512 2HE LYS 67 1HE LYS 67 -16.139 -0.837 -1.605 513 1HZ LYS 67 1HZ LYS 67 -17.999 -2.607 -2.919 514 2HZ LYS 67 2HZ LYS 67 -17.943 -1.056 -3.592 515 3HZ LYS 67 3HZ LYS 67 -18.294 -1.252 -1.949 516 H GLN 68 H GLN 68 -10.738 -2.578 -5.516 517 HA GLN 68 HA GLN 68 -10.942 -4.843 -7.185 518 1HB GLN 68 2HB GLN 68 -8.666 -2.871 -6.937 519 2HB GLN 68 1HB GLN 68 -8.899 -3.991 -8.268 520 1HG GLN 68 2HG GLN 68 -10.082 -2.459 -9.323 521 2HG GLN 68 1HG GLN 68 -11.277 -2.502 -8.022 522 1HE2 GLN 68 1HE2 GLN 68 -11.712 -0.306 -8.254 523 2HE2 GLN 68 2HE2 GLN 68 -10.608 0.910 -7.717 524 H ILE 69 H ILE 69 -8.513 -3.860 -4.801 525 HA ILE 69 HA ILE 69 -6.736 -5.950 -5.059 526 HB ILE 69 HB ILE 69 -7.462 -4.299 -2.652 527 1HG1 ILE 69 2HG1 ILE 69 -6.316 -3.385 -4.815 528 2HG1 ILE 69 1HG1 ILE 69 -5.710 -2.902 -3.238 529 1HG2 ILE 69 1HG2 ILE 69 -5.638 -5.125 -1.426 530 2HG2 ILE 69 2HG2 ILE 69 -4.985 -5.993 -2.813 531 3HG2 ILE 69 3HG2 ILE 69 -6.463 -6.556 -2.041 532 1HD1 ILE 69 1HD1 ILE 69 -4.456 -5.289 -4.410 533 2HD1 ILE 69 2HD1 ILE 69 -3.737 -3.930 -3.546 534 3HD1 ILE 69 3HD1 ILE 69 -4.164 -3.766 -5.251 535 H LYS 70 H LYS 70 -9.677 -5.798 -3.170 536 HA LYS 70 HA LYS 70 -9.265 -8.324 -1.916 537 1HB LYS 70 2HB LYS 70 -11.443 -8.012 -0.940 538 2HB LYS 70 1HB LYS 70 -10.554 -6.498 -0.867 539 1HG LYS 70 2HG LYS 70 -12.195 -5.459 -1.918 540 2HG LYS 70 1HG LYS 70 -12.028 -6.554 -3.288 541 1HD LYS 70 2HD LYS 70 -13.459 -8.190 -2.033 542 2HD LYS 70 1HD LYS 70 -13.765 -6.911 -0.858 543 1HE LYS 70 2HE LYS 70 -14.850 -5.561 -2.473 544 2HE LYS 70 1HE LYS 70 -14.283 -6.573 -3.801 545 1HZ LYS 70 1HZ LYS 70 -16.660 -6.799 -2.335 546 2HZ LYS 70 2HZ LYS 70 -15.739 -8.187 -2.043 547 3HZ LYS 70 3HZ LYS 70 -16.131 -7.752 -3.629 548 H GLN 71 H GLN 71 -10.905 -7.219 -4.766 549 HA GLN 71 HA GLN 71 -12.434 -9.580 -5.135 550 1HB GLN 71 2HB GLN 71 -13.430 -7.759 -6.130 551 2HB GLN 71 1HB GLN 71 -11.907 -7.109 -6.708 552 1HG GLN 71 2HG GLN 71 -12.508 -9.633 -7.976 553 2HG GLN 71 1HG GLN 71 -13.827 -8.485 -8.171 554 1HE2 GLN 71 1HE2 GLN 71 -10.482 -7.524 -7.825 555 2HE2 GLN 71 2HE2 GLN 71 -10.284 -6.942 -9.439 556 H ARG 72 H ARG 72 -9.398 -8.406 -6.447 557 HA ARG 72 HA ARG 72 -9.094 -10.766 -8.097 558 1HB ARG 72 2HB ARG 72 -7.668 -8.185 -7.821 559 2HB ARG 72 1HB ARG 72 -6.725 -9.557 -8.388 560 1HG ARG 72 2HG ARG 72 -9.131 -9.576 -9.852 561 2HG ARG 72 1HG ARG 72 -8.559 -7.907 -9.828 562 1HD ARG 72 2HD ARG 72 -6.660 -8.396 -11.000 563 2HD ARG 72 1HD ARG 72 -6.573 -10.043 -10.382 564 HE ARG 72 HE ARG 72 -8.001 -10.744 -12.074 565 1HH1 ARG 72 1HH1 ARG 72 -7.612 -7.272 -12.168 566 2HH1 ARG 72 2HH1 ARG 72 -8.279 -7.119 -13.757 567 1HH2 ARG 72 1HH2 ARG 72 -8.878 -10.536 -14.163 568 2HH2 ARG 72 2HH2 ARG 72 -8.998 -8.968 -14.890 569 H HIS 73 H HIS 73 -7.452 -9.338 -5.337 570 HA HIS 73 HA HIS 73 -5.935 -11.825 -4.970 571 1HB HIS 73 2HB HIS 73 -5.302 -9.471 -3.275 572 2HB HIS 73 1HB HIS 73 -4.218 -10.581 -4.112 573 HD1 HIS 73 1HD HIS 73 -4.379 -10.217 -6.902 574 HD2 HIS 73 2HD HIS 73 -5.313 -7.026 -4.416 575 HE1 HIS 73 1HE HIS 73 -4.248 -8.171 -8.359 576 HE2 HIS 73 2HE HIS 73 -4.745 -6.243 -6.816 577 HA PRO 74 HA PRO 74 -8.408 -13.238 -1.611 578 1HB PRO 74 2HB PRO 74 -5.820 -13.901 -0.289 579 2HB PRO 74 1HB PRO 74 -7.226 -14.925 -0.595 580 1HG PRO 74 2HG PRO 74 -5.034 -15.164 -2.079 581 2HG PRO 74 1HG PRO 74 -6.645 -15.292 -2.811 582 1HD PRO 74 2HD PRO 74 -4.700 -13.026 -2.887 583 2HD PRO 74 1HD PRO 74 -5.805 -13.610 -4.150 584 H MET 75 H MET 75 -5.423 -12.148 0.004 585 HA MET 75 HA MET 75 -6.948 -10.053 1.364 586 1HB MET 75 2HB MET 75 -5.204 -12.015 2.856 587 2HB MET 75 1HB MET 75 -6.190 -10.735 3.548 588 1HG MET 75 2HG MET 75 -8.125 -12.062 2.332 589 2HG MET 75 1HG MET 75 -6.983 -13.394 2.500 590 1HE MET 75 1HE MET 75 -8.659 -14.856 4.909 591 2HE MET 75 2HE MET 75 -9.219 -14.130 3.403 592 3HE MET 75 3HE MET 75 -9.939 -13.640 4.936 593 H LEU 76 H LEU 76 -5.202 -9.565 -0.646 594 HA LEU 76 HA LEU 76 -2.519 -9.223 0.023 595 1HB LEU 76 2HB LEU 76 -3.576 -9.054 -2.262 596 2HB LEU 76 1HB LEU 76 -4.097 -7.438 -1.817 597 HG LEU 76 HG LEU 76 -1.986 -7.638 -3.221 598 1HD1 LEU 76 1HD1 LEU 76 -1.379 -6.136 -0.745 599 2HD1 LEU 76 2HD1 LEU 76 -2.883 -5.763 -1.589 600 3HD1 LEU 76 3HD1 LEU 76 -1.338 -5.615 -2.431 601 1HD2 LEU 76 1HD2 LEU 76 -0.110 -8.556 -2.395 602 2HD2 LEU 76 2HD2 LEU 76 -1.219 -9.435 -1.348 603 3HD2 LEU 76 3HD2 LEU 76 -0.416 -7.975 -0.760 604 HA PRO 77 HA PRO 77 -3.093 -6.040 3.181 605 1HB PRO 77 2HB PRO 77 -0.139 -6.178 3.228 606 2HB PRO 77 1HB PRO 77 -1.299 -6.382 4.545 607 1HG PRO 77 2HG PRO 77 0.014 -8.477 3.542 608 2HG PRO 77 1HG PRO 77 -1.686 -8.610 4.039 609 1HD PRO 77 2HD PRO 77 -0.535 -8.322 1.286 610 2HD PRO 77 1HD PRO 77 -1.852 -9.371 1.853 611 H VAL 78 H VAL 78 -3.523 -4.083 2.503 612 HA VAL 78 HA VAL 78 -1.577 -2.586 0.887 613 HB VAL 78 HB VAL 78 -4.517 -1.957 0.988 614 1HG1 VAL 78 1HG1 VAL 78 -4.002 -0.333 -0.429 615 2HG1 VAL 78 2HG1 VAL 78 -3.205 -1.468 -1.516 616 3HG1 VAL 78 3HG1 VAL 78 -2.298 -0.727 -0.202 617 1HG2 VAL 78 1HG2 VAL 78 -4.572 -4.189 0.244 618 2HG2 VAL 78 2HG2 VAL 78 -3.135 -3.975 -0.757 619 3HG2 VAL 78 3HG2 VAL 78 -4.654 -3.206 -1.220 620 H ILE 79 H ILE 79 -1.341 -0.340 1.375 621 HA ILE 79 HA ILE 79 -2.471 0.528 3.947 622 HB ILE 79 HB ILE 79 0.371 1.086 3.126 623 1HG1 ILE 79 2HG1 ILE 79 -0.043 -0.584 5.492 624 2HG1 ILE 79 1HG1 ILE 79 -0.555 -1.358 3.996 625 1HG2 ILE 79 1HG2 ILE 79 0.589 2.306 5.022 626 2HG2 ILE 79 2HG2 ILE 79 -0.581 1.332 5.915 627 3HG2 ILE 79 3HG2 ILE 79 -1.138 2.543 4.761 628 1HD1 ILE 79 1HD1 ILE 79 1.661 -0.990 3.047 629 2HD1 ILE 79 2HD1 ILE 79 1.740 -1.910 4.550 630 3HD1 ILE 79 3HD1 ILE 79 2.168 -0.200 4.542 631 H ILE 80 H ILE 80 -3.678 2.267 3.543 632 HA ILE 80 HA ILE 80 -2.966 3.982 1.298 633 HB ILE 80 HB ILE 80 -5.443 4.271 2.967 634 1HG1 ILE 80 2HG1 ILE 80 -5.406 1.962 2.214 635 2HG1 ILE 80 1HG1 ILE 80 -6.577 2.863 1.255 636 1HG2 ILE 80 1HG2 ILE 80 -4.346 5.502 0.578 637 2HG2 ILE 80 2HG2 ILE 80 -5.669 6.030 1.615 638 3HG2 ILE 80 3HG2 ILE 80 -5.974 4.874 0.320 639 1HD1 ILE 80 1HD1 ILE 80 -3.956 1.716 0.460 640 2HD1 ILE 80 2HD1 ILE 80 -4.565 3.139 -0.386 641 3HD1 ILE 80 3HD1 ILE 80 -5.515 1.654 -0.362 642 H MET 81 H MET 81 -2.536 6.125 1.430 643 HA MET 81 HA MET 81 -1.281 7.043 3.803 644 1HB MET 81 2HB MET 81 -0.818 9.056 2.621 645 2HB MET 81 1HB MET 81 -0.689 7.733 1.473 646 1HG MET 81 2HG MET 81 -2.465 8.429 0.253 647 2HG MET 81 1HG MET 81 -3.307 9.099 1.651 648 1HE MET 81 1HE MET 81 -3.902 11.155 -0.276 649 2HE MET 81 2HE MET 81 -2.858 10.268 -1.386 650 3HE MET 81 3HE MET 81 -2.589 11.989 -1.107 651 H THR 82 H THR 82 -4.541 7.449 2.595 652 HA THR 82 HA THR 82 -5.272 8.768 5.090 653 HB THR 82 HB THR 82 -6.195 9.958 2.478 654 HG1 THR 82 1HG THR 82 -4.634 11.604 2.923 655 1HG2 THR 82 1HG2 THR 82 -6.528 10.639 5.331 656 2HG2 THR 82 2HG2 THR 82 -7.617 10.884 3.965 657 3HG2 THR 82 3HG2 THR 82 -6.255 11.975 4.214 658 H ALA 83 H ALA 83 -7.735 8.985 5.276 659 HA ALA 83 HA ALA 83 -9.012 6.705 3.905 660 1HB ALA 83 1HB ALA 83 -8.622 6.074 6.183 661 2HB ALA 83 2HB ALA 83 -10.346 6.353 5.966 662 3HB ALA 83 3HB ALA 83 -9.352 7.567 6.771 663 H HIS 84 H HIS 84 -9.483 8.777 2.479 664 HA HIS 84 HA HIS 84 -11.586 10.495 3.378 665 1HB HIS 84 2HB HIS 84 -10.493 9.903 0.624 666 2HB HIS 84 1HB HIS 84 -11.746 11.100 0.937 667 HD1 HIS 84 1HD HIS 84 -9.873 11.666 3.743 668 HD2 HIS 84 2HD HIS 84 -9.063 12.286 -0.285 669 HE1 HIS 84 1HE HIS 84 -8.069 13.418 3.681 670 HE2 HIS 84 2HE HIS 84 -7.553 13.734 1.235 671 H SER 85 H SER 85 -13.714 10.611 2.288 672 HA SER 85 HA SER 85 -15.731 9.743 1.712 673 1HB SER 85 2HB SER 85 -14.364 8.962 -0.270 674 2HB SER 85 1HB SER 85 -14.247 7.397 0.530 675 HG SER 85 HG SER 85 -16.451 8.654 -0.632 676 H ASP 86 H ASP 86 -16.762 7.226 1.573 677 HA ASP 86 HA ASP 86 -17.352 6.612 4.213 678 1HB ASP 86 2HB ASP 86 -18.344 4.527 3.309 679 2HB ASP 86 1HB ASP 86 -18.806 5.953 2.388 680 H LEU 87 H LEU 87 -15.537 6.331 5.476 681 HA LEU 87 HA LEU 87 -13.286 4.845 5.023 682 1HB LEU 87 2HB LEU 87 -14.548 6.040 7.259 683 2HB LEU 87 1HB LEU 87 -14.076 4.421 7.739 684 HG LEU 87 HG LEU 87 -12.170 6.388 6.480 685 1HD1 LEU 87 1HD1 LEU 87 -12.520 7.506 8.426 686 2HD1 LEU 87 2HD1 LEU 87 -11.338 6.328 8.997 687 3HD1 LEU 87 3HD1 LEU 87 -13.059 6.066 9.289 688 1HD2 LEU 87 1HD2 LEU 87 -11.042 4.449 6.254 689 2HD2 LEU 87 2HD2 LEU 87 -11.998 3.625 7.485 690 3HD2 LEU 87 3HD2 LEU 87 -10.685 4.700 7.963 691 H ASP 88 H ASP 88 -16.471 3.642 5.469 692 HA ASP 88 HA ASP 88 -16.190 1.190 6.619 693 1HB ASP 88 2HB ASP 88 -17.888 1.950 4.238 694 2HB ASP 88 1HB ASP 88 -18.058 0.434 5.119 695 H ALA 89 H ALA 89 -15.547 1.934 3.173 696 HA ALA 89 HA ALA 89 -14.920 -0.722 2.471 697 1HB ALA 89 1HB ALA 89 -13.786 0.262 0.494 698 2HB ALA 89 2HB ALA 89 -14.040 1.863 1.196 699 3HB ALA 89 3HB ALA 89 -15.426 0.870 0.740 700 H ALA 90 H ALA 90 -13.132 1.744 4.085 701 HA ALA 90 HA ALA 90 -10.536 0.676 3.610 702 1HB ALA 90 1HB ALA 90 -10.833 3.017 4.183 703 2HB ALA 90 2HB ALA 90 -9.785 2.215 5.356 704 3HB ALA 90 3HB ALA 90 -11.464 2.563 5.766 705 H VAL 91 H VAL 91 -12.745 0.501 6.418 706 HA VAL 91 HA VAL 91 -11.020 -1.081 7.976 707 HB VAL 91 HB VAL 91 -14.004 -1.259 8.220 708 1HG1 VAL 91 1HG1 VAL 91 -12.778 -1.033 10.709 709 2HG1 VAL 91 2HG1 VAL 91 -11.696 -2.065 9.771 710 3HG1 VAL 91 3HG1 VAL 91 -13.394 -2.509 9.964 711 1HG2 VAL 91 1HG2 VAL 91 -12.192 1.018 8.974 712 2HG2 VAL 91 2HG2 VAL 91 -13.709 0.718 9.823 713 3HG2 VAL 91 3HG2 VAL 91 -13.720 1.070 8.096 714 H SER 92 H SER 92 -13.833 -2.049 6.006 715 HA SER 92 HA SER 92 -13.556 -4.812 6.389 716 1HB SER 92 2HB SER 92 -14.912 -5.090 4.388 717 2HB SER 92 1HB SER 92 -15.539 -3.731 5.324 718 HG SER 92 HG SER 92 -15.402 -2.838 3.390 719 H ALA 93 H ALA 93 -11.741 -2.562 4.514 720 HA ALA 93 HA ALA 93 -10.603 -4.197 2.578 721 1HB ALA 93 1HB ALA 93 -9.133 -2.490 2.173 722 2HB ALA 93 2HB ALA 93 -8.938 -2.121 3.889 723 3HB ALA 93 3HB ALA 93 -10.399 -1.622 3.040 724 H TYR 94 H TYR 94 -9.386 -3.350 5.769 725 HA TYR 94 HA TYR 94 -7.080 -4.853 5.827 726 1HB TYR 94 2HB TYR 94 -8.854 -4.625 8.247 727 2HB TYR 94 1HB TYR 94 -7.095 -4.645 8.180 728 HD1 TYR 94 1HD TYR 94 -6.405 -2.625 6.265 729 HD2 TYR 94 2HD TYR 94 -9.549 -2.603 9.129 730 HE1 TYR 94 1HE TYR 94 -6.376 -0.171 6.267 731 HE2 TYR 94 2HE TYR 94 -9.524 -0.144 9.143 732 HH TYR 94 HH TYR 94 -7.907 1.686 8.618 733 H GLN 95 H GLN 95 -10.358 -5.840 6.273 734 HA GLN 95 HA GLN 95 -9.774 -8.484 7.205 735 1HB GLN 95 2HB GLN 95 -11.856 -7.735 7.904 736 2HB GLN 95 1HB GLN 95 -12.214 -6.973 6.365 737 1HG GLN 95 2HG GLN 95 -12.109 -9.648 5.720 738 2HG GLN 95 1HG GLN 95 -12.838 -9.642 7.324 739 1HE2 GLN 95 1HE2 GLN 95 -13.055 -7.360 4.624 740 2HE2 GLN 95 2HE2 GLN 95 -14.774 -7.430 4.476 741 H GLN 96 H GLN 96 -10.567 -7.009 4.113 742 HA GLN 96 HA GLN 96 -10.414 -9.570 2.771 743 1HB GLN 96 2HB GLN 96 -11.140 -8.295 0.772 744 2HB GLN 96 1HB GLN 96 -12.256 -8.177 2.122 745 1HG GLN 96 2HG GLN 96 -10.831 -6.010 2.631 746 2HG GLN 96 1HG GLN 96 -10.530 -6.103 0.901 747 1HE2 GLN 96 1HE2 GLN 96 -11.694 -4.256 0.436 748 2HE2 GLN 96 2HE2 GLN 96 -13.417 -4.183 0.550 749 H GLY 97 H GLY 97 -8.139 -7.542 3.806 750 1HA GLY 97 2HA GLY 97 -5.876 -8.181 2.973 751 2HA GLY 97 1HA GLY 97 -6.502 -7.861 1.366 752 H ALA 98 H ALA 98 -5.690 -6.362 4.459 753 HA ALA 98 HA ALA 98 -4.502 -4.136 3.201 754 1HB ALA 98 1HB ALA 98 -6.161 -2.500 4.442 755 2HB ALA 98 2HB ALA 98 -7.278 -3.819 4.129 756 3HB ALA 98 3HB ALA 98 -6.443 -3.048 2.789 757 H PHE 99 H PHE 99 -3.065 -3.169 4.525 758 HA PHE 99 HA PHE 99 -2.654 -4.329 7.096 759 1HB PHE 99 2HB PHE 99 -0.816 -3.626 5.539 760 2HB PHE 99 1HB PHE 99 -1.233 -1.957 5.902 761 HD1 PHE 99 1HD PHE 99 -0.525 -5.102 7.786 762 HD2 PHE 99 2HD PHE 99 0.075 -0.901 7.458 763 HE1 PHE 99 1HE PHE 99 0.953 -5.162 9.752 764 HE2 PHE 99 2HE PHE 99 1.554 -0.954 9.423 765 HZ PHE 99 HZ PHE 99 1.995 -3.087 10.572 766 H ASP 100 H ASP 100 -3.328 -0.981 6.017 767 HA ASP 100 HA ASP 100 -5.165 -0.412 8.034 768 1HB ASP 100 2HB ASP 100 -2.645 -0.619 9.140 769 2HB ASP 100 1HB ASP 100 -2.842 1.118 8.919 770 H TYR 101 H TYR 101 -4.923 2.169 8.597 771 HA TYR 101 HA TYR 101 -4.491 3.553 6.034 772 1HB TYR 101 2HB TYR 101 -6.949 3.338 7.656 773 2HB TYR 101 1HB TYR 101 -6.553 4.965 7.125 774 HD1 TYR 101 1HD TYR 101 -6.980 1.503 5.810 775 HD2 TYR 101 2HD TYR 101 -7.215 5.671 5.013 776 HE1 TYR 101 1HE TYR 101 -8.011 1.021 3.633 777 HE2 TYR 101 2HE TYR 101 -8.243 5.208 2.830 778 HH TYR 101 HH TYR 101 -9.696 3.094 1.903 779 H LEU 102 H LEU 102 -3.999 5.812 6.225 780 HA LEU 102 HA LEU 102 -2.810 6.484 8.825 781 1HB LEU 102 2HB LEU 102 -2.025 6.880 6.054 782 2HB LEU 102 1HB LEU 102 -1.965 8.375 6.966 783 HG LEU 102 HG LEU 102 -0.396 7.444 8.528 784 1HD1 LEU 102 1HD1 LEU 102 -1.011 5.240 8.885 785 2HD1 LEU 102 2HD1 LEU 102 0.500 5.097 7.983 786 3HD1 LEU 102 3HD1 LEU 102 -1.044 4.867 7.161 787 1HD2 LEU 102 1HD2 LEU 102 1.469 6.864 6.994 788 2HD2 LEU 102 2HD2 LEU 102 0.590 8.323 6.540 789 3HD2 LEU 102 3HD2 LEU 102 0.305 6.818 5.669 790 HA PRO 103 HA PRO 103 -6.200 9.424 9.092 791 1HB PRO 103 2HB PRO 103 -5.586 10.365 11.582 792 2HB PRO 103 1HB PRO 103 -6.485 8.877 11.289 793 1HG PRO 103 2HG PRO 103 -3.659 9.250 12.096 794 2HG PRO 103 1HG PRO 103 -4.772 7.927 12.467 795 1HD PRO 103 2HD PRO 103 -2.746 7.843 10.570 796 2HD PRO 103 1HD PRO 103 -4.139 6.746 10.638 797 H LYS 104 H LYS 104 -3.401 10.670 10.875 798 HA LYS 104 HA LYS 104 -3.502 13.068 9.191 799 1HB LYS 104 2HB LYS 104 -3.965 13.482 11.556 800 2HB LYS 104 1HB LYS 104 -2.427 12.758 11.998 801 1HG LYS 104 2HG LYS 104 -1.810 14.730 10.118 802 2HG LYS 104 1HG LYS 104 -3.016 15.447 11.187 803 1HD LYS 104 2HD LYS 104 -1.628 14.690 13.125 804 2HD LYS 104 1HD LYS 104 -0.386 14.200 11.971 805 1HE LYS 104 2HE LYS 104 -1.506 16.989 12.113 806 2HE LYS 104 1HE LYS 104 -0.076 16.477 13.008 807 1HZ LYS 104 1HZ LYS 104 0.157 15.733 10.288 808 2HZ LYS 104 2HZ LYS 104 1.153 16.751 11.201 809 3HZ LYS 104 3HZ LYS 104 -0.192 17.386 10.396 810 HA PRO 105 HA PRO 105 1.280 12.218 9.791 811 1HB PRO 105 2HB PRO 105 1.817 9.578 10.441 812 2HB PRO 105 1HB PRO 105 1.866 10.934 11.570 813 1HG PRO 105 2HG PRO 105 -0.306 8.941 11.089 814 2HG PRO 105 1HG PRO 105 0.262 9.637 12.619 815 1HD PRO 105 2HD PRO 105 -1.989 10.483 11.470 816 2HD PRO 105 1HD PRO 105 -0.904 11.617 12.293 817 H PHE 106 H PHE 106 2.628 11.458 8.170 818 HA PHE 106 HA PHE 106 1.957 9.244 6.513 819 1HB PHE 106 2HB PHE 106 0.309 10.904 5.689 820 2HB PHE 106 1HB PHE 106 1.626 12.001 5.298 821 HD1 PHE 106 1HD PHE 106 1.588 12.198 2.995 822 HD2 PHE 106 2HD PHE 106 1.352 8.328 4.741 823 HE1 PHE 106 1HE PHE 106 1.793 11.179 0.765 824 HE2 PHE 106 2HE PHE 106 1.562 7.303 2.523 825 HZ PHE 106 HZ PHE 106 1.783 8.728 0.527 826 H ASP 107 H ASP 107 3.388 11.548 4.510 827 HA ASP 107 HA ASP 107 5.496 11.566 3.619 828 1HB ASP 107 2HB ASP 107 7.159 12.505 5.135 829 2HB ASP 107 1HB ASP 107 5.591 13.262 5.405 830 H ILE 108 H ILE 108 7.947 10.777 4.160 831 HA ILE 108 HA ILE 108 7.804 7.960 4.008 832 HB ILE 108 HB ILE 108 9.798 9.936 3.539 833 1HG1 ILE 108 2HG1 ILE 108 10.705 8.114 2.109 834 2HG1 ILE 108 1HG1 ILE 108 9.542 7.016 2.841 835 1HG2 ILE 108 1HG2 ILE 108 10.944 9.274 5.521 836 2HG2 ILE 108 2HG2 ILE 108 11.779 8.534 4.154 837 3HG2 ILE 108 3HG2 ILE 108 10.698 7.568 5.156 838 1HD1 ILE 108 1HD1 ILE 108 8.966 8.046 0.576 839 2HD1 ILE 108 2HD1 ILE 108 8.645 9.523 1.486 840 3HD1 ILE 108 3HD1 ILE 108 7.733 8.056 1.839 841 H ASP 109 H ASP 109 8.797 10.121 6.565 842 HA ASP 109 HA ASP 109 9.938 8.372 8.344 843 1HB ASP 109 2HB ASP 109 9.684 10.853 8.657 844 2HB ASP 109 1HB ASP 109 8.025 10.559 9.171 845 H GLU 110 H GLU 110 6.457 9.228 8.345 846 HA GLU 110 HA GLU 110 5.868 7.071 10.119 847 1HB GLU 110 2HB GLU 110 4.085 8.985 8.633 848 2HB GLU 110 1HB GLU 110 3.478 7.746 9.720 849 1HG GLU 110 2HG GLU 110 5.437 9.867 10.550 850 2HG GLU 110 1HG GLU 110 3.690 10.035 10.706 851 H ALA 111 H ALA 111 5.718 7.584 6.678 852 HA ALA 111 HA ALA 111 4.078 5.372 6.036 853 1HB ALA 111 1HB ALA 111 5.163 5.551 3.766 854 2HB ALA 111 2HB ALA 111 6.142 6.861 4.428 855 3HB ALA 111 3HB ALA 111 4.388 7.021 4.355 856 H VAL 112 H VAL 112 7.607 5.730 5.674 857 HA VAL 112 HA VAL 112 8.163 3.019 5.251 858 HB VAL 112 HB VAL 112 9.980 5.031 6.574 859 1HG1 VAL 112 1HG1 VAL 112 11.597 3.497 6.500 860 2HG1 VAL 112 2HG1 VAL 112 11.188 3.034 4.848 861 3HG1 VAL 112 3HG1 VAL 112 10.322 2.313 6.206 862 1HG2 VAL 112 1HG2 VAL 112 10.817 4.928 4.015 863 2HG2 VAL 112 2HG2 VAL 112 9.679 6.129 4.626 864 3HG2 VAL 112 3HG2 VAL 112 9.082 4.700 3.789 865 H ALA 113 H ALA 113 7.676 4.832 8.163 866 HA ALA 113 HA ALA 113 8.757 3.017 10.020 867 1HB ALA 113 1HB ALA 113 6.502 4.989 10.318 868 2HB ALA 113 2HB ALA 113 8.210 5.293 10.643 869 3HB ALA 113 3HB ALA 113 7.308 4.166 11.654 870 H LEU 114 H LEU 114 5.522 3.467 8.730 871 HA LEU 114 HA LEU 114 4.373 1.305 10.167 872 1HB LEU 114 2HB LEU 114 3.035 3.203 9.581 873 2HB LEU 114 1HB LEU 114 3.395 2.985 7.881 874 HG LEU 114 HG LEU 114 2.234 0.626 8.339 875 1HD1 LEU 114 1HD1 LEU 114 1.295 2.439 10.511 876 2HD1 LEU 114 2HD1 LEU 114 1.661 0.714 10.563 877 3HD1 LEU 114 3HD1 LEU 114 0.179 1.281 9.789 878 1HD2 LEU 114 1HD2 LEU 114 1.101 3.290 7.628 879 2HD2 LEU 114 2HD2 LEU 114 0.043 1.883 7.733 880 3HD2 LEU 114 3HD2 LEU 114 1.403 1.884 6.609 881 H VAL 115 H VAL 115 6.030 1.578 7.144 882 HA VAL 115 HA VAL 115 4.825 -0.784 6.038 883 HB VAL 115 HB VAL 115 5.784 1.122 4.654 884 1HG1 VAL 115 1HG1 VAL 115 8.089 1.166 4.144 885 2HG1 VAL 115 2HG1 VAL 115 8.387 -0.342 5.010 886 3HG1 VAL 115 3HG1 VAL 115 7.978 1.122 5.900 887 1HG2 VAL 115 1HG2 VAL 115 6.310 -1.784 4.144 888 2HG2 VAL 115 2HG2 VAL 115 6.725 -0.560 2.944 889 3HG2 VAL 115 3HG2 VAL 115 5.052 -0.744 3.472 890 H GLU 116 H GLU 116 7.975 -0.008 7.461 891 HA GLU 116 HA GLU 116 9.075 -2.586 7.170 892 1HB GLU 116 2HB GLU 116 9.702 -0.309 9.040 893 2HB GLU 116 1HB GLU 116 10.624 -1.806 9.031 894 1HG GLU 116 2HG GLU 116 10.965 -1.374 6.540 895 2HG GLU 116 1HG GLU 116 10.393 0.260 6.876 896 H ARG 117 H ARG 117 7.423 -1.029 9.914 897 HA ARG 117 HA ARG 117 7.604 -3.201 11.677 898 1HB ARG 117 2HB ARG 117 5.836 -2.137 12.946 899 2HB ARG 117 1HB ARG 117 6.951 -0.911 12.360 900 1HG ARG 117 2HG ARG 117 5.422 0.005 10.953 901 2HG ARG 117 1HG ARG 117 4.569 -1.514 10.697 902 1HD ARG 117 2HD ARG 117 3.142 -0.073 11.955 903 2HD ARG 117 1HD ARG 117 3.720 -1.341 13.032 904 HE ARG 117 HE ARG 117 4.916 1.354 12.983 905 1HH1 ARG 117 1HH1 ARG 117 3.597 -1.366 14.747 906 2HH1 ARG 117 2HH1 ARG 117 3.944 -0.680 16.297 907 1HH2 ARG 117 1HH2 ARG 117 5.364 2.245 15.022 908 2HH2 ARG 117 2HH2 ARG 117 4.944 1.367 16.454 909 H ALA 118 H ALA 118 5.524 -2.558 9.000 910 HA ALA 118 HA ALA 118 3.450 -4.375 9.605 911 1HB ALA 118 1HB ALA 118 3.201 -2.579 7.962 912 2HB ALA 118 2HB ALA 118 2.827 -4.154 7.258 913 3HB ALA 118 3HB ALA 118 4.373 -3.376 6.913 914 H ILE 119 H ILE 119 6.382 -4.659 7.619 915 HA ILE 119 HA ILE 119 5.930 -7.361 6.888 916 HB ILE 119 HB ILE 119 8.598 -5.970 6.980 917 1HG1 ILE 119 2HG1 ILE 119 7.069 -6.025 4.448 918 2HG1 ILE 119 1HG1 ILE 119 6.474 -4.916 5.680 919 1HG2 ILE 119 1HG2 ILE 119 7.509 -8.291 5.407 920 2HG2 ILE 119 2HG2 ILE 119 8.857 -8.283 6.546 921 3HG2 ILE 119 3HG2 ILE 119 9.010 -7.461 4.991 922 1HD1 ILE 119 1HD1 ILE 119 9.332 -4.974 4.775 923 2HD1 ILE 119 2HD1 ILE 119 8.514 -3.739 5.733 924 3HD1 ILE 119 3HD1 ILE 119 8.099 -3.957 4.032 925 H SER 120 H SER 120 7.473 -5.775 9.547 926 HA SER 120 HA SER 120 8.963 -7.954 10.543 927 1HB SER 120 2HB SER 120 9.273 -5.523 11.151 928 2HB SER 120 1HB SER 120 7.833 -5.664 12.159 929 HG SER 120 HG SER 120 8.893 -7.202 13.402 930 H HIS 121 H HIS 121 5.715 -6.739 11.281 931 HA HIS 121 HA HIS 121 5.178 -8.610 13.337 932 1HB HIS 121 2HB HIS 121 3.538 -6.725 11.706 933 2HB HIS 121 1HB HIS 121 2.713 -7.970 12.638 934 HD1 HIS 121 1HD HIS 121 5.488 -5.464 13.386 935 HD2 HIS 121 2HD HIS 121 1.997 -6.992 15.045 936 HE1 HIS 121 1HE HIS 121 5.211 -4.274 15.583 937 HE2 HIS 121 2HE HIS 121 3.060 -5.169 16.542 938 H TYR 122 H TYR 122 5.013 -8.769 9.896 939 HA TYR 122 HA TYR 122 3.314 -11.081 9.845 940 1HB TYR 122 2HB TYR 122 4.706 -9.425 7.789 941 2HB TYR 122 1HB TYR 122 4.194 -11.052 7.353 942 HD1 TYR 122 1HD TYR 122 3.264 -7.925 6.776 943 HD2 TYR 122 2HD TYR 122 1.641 -11.373 8.667 944 HE1 TYR 122 1HE TYR 122 0.994 -7.087 6.342 945 HE2 TYR 122 2HE TYR 122 -0.636 -10.545 8.239 946 HH TYR 122 HH TYR 122 -1.276 -7.364 7.241 947 H GLN 123 H GLN 123 6.754 -10.390 9.372 948 HA GLN 123 HA GLN 123 7.425 -13.111 8.844 949 1HB GLN 123 2HB GLN 123 9.744 -12.361 8.925 950 2HB GLN 123 1HB GLN 123 8.771 -11.270 7.949 951 1HG GLN 123 2HG GLN 123 8.576 -9.908 10.156 952 2HG GLN 123 1HG GLN 123 10.008 -10.826 10.624 953 1HE2 GLN 123 1HE2 GLN 123 10.963 -8.655 10.672 954 2HE2 GLN 123 2HE2 GLN 123 11.601 -8.000 9.206 955 H GLU 124 H GLU 124 9.524 -13.821 10.299 956 HA GLU 124 HA GLU 124 10.182 -14.769 12.257 957 1HB GLU 124 2HB GLU 124 8.728 -12.359 13.331 958 2HB GLU 124 1HB GLU 124 9.501 -13.529 14.391 959 1HG GLU 124 2HG GLU 124 11.650 -13.072 13.400 960 2HG GLU 124 1HG GLU 124 10.909 -11.986 12.224 Start of MODEL 5 1 1H MET 1 1HT MET 1 6.156 -11.966 -2.571 2 2H MET 1 2HT MET 1 5.899 -13.358 -3.537 3 3H MET 1 3HT MET 1 7.446 -13.045 -2.877 4 HA MET 1 HA MET 1 5.262 -13.200 -1.007 5 1HB MET 1 2HB MET 1 6.184 -15.508 -2.700 6 2HB MET 1 1HB MET 1 5.533 -15.764 -1.087 7 1HG MET 1 2HG MET 1 3.689 -14.091 -2.293 8 2HG MET 1 1HG MET 1 4.166 -15.202 -3.576 9 1HE MET 1 1HE MET 1 0.982 -15.599 -0.848 10 2HE MET 1 2HE MET 1 0.833 -15.868 -2.583 11 3HE MET 1 3HE MET 1 1.630 -14.414 -1.982 12 H GLN 2 H GLN 2 8.558 -13.774 -2.038 13 HA GLN 2 HA GLN 2 9.374 -13.793 0.776 14 1HB GLN 2 2HB GLN 2 9.477 -16.059 -0.868 15 2HB GLN 2 1HB GLN 2 11.126 -15.454 -0.826 16 1HG GLN 2 2HG GLN 2 11.424 -16.337 1.174 17 2HG GLN 2 1HG GLN 2 10.084 -15.388 1.816 18 1HE2 GLN 2 1HE2 GLN 2 8.681 -16.596 2.835 19 2HE2 GLN 2 2HE2 GLN 2 8.186 -18.192 2.396 20 H ARG 3 H ARG 3 11.999 -13.817 0.653 21 HA ARG 3 HA ARG 3 13.870 -12.630 0.257 22 1HB ARG 3 2HB ARG 3 14.542 -12.328 -1.901 23 2HB ARG 3 1HB ARG 3 13.213 -13.448 -2.150 24 1HG ARG 3 2HG ARG 3 11.784 -11.366 -2.558 25 2HG ARG 3 1HG ARG 3 13.314 -10.505 -2.699 26 1HD ARG 3 2HD ARG 3 13.769 -12.649 -4.297 27 2HD ARG 3 1HD ARG 3 12.038 -12.421 -4.526 28 HE ARG 3 HE ARG 3 14.015 -10.277 -4.970 29 1HH1 ARG 3 1HH1 ARG 3 11.148 -12.037 -5.939 30 2HH1 ARG 3 2HH1 ARG 3 10.856 -11.035 -7.317 31 1HH2 ARG 3 1HH2 ARG 3 13.614 -8.965 -6.786 32 2HH2 ARG 3 2HH2 ARG 3 12.246 -9.296 -7.795 33 H GLY 4 H GLY 4 10.832 -11.093 0.129 34 1HA GLY 4 2HA GLY 4 10.437 -9.061 1.292 35 2HA GLY 4 1HA GLY 4 12.097 -8.587 0.964 36 H ILE 5 H ILE 5 8.843 -8.695 -0.256 37 HA ILE 5 HA ILE 5 9.710 -6.968 -2.476 38 HB ILE 5 HB ILE 5 7.316 -8.770 -2.649 39 1HG1 ILE 5 2HG1 ILE 5 9.054 -10.349 -2.339 40 2HG1 ILE 5 1HG1 ILE 5 8.839 -10.245 -4.082 41 1HG2 ILE 5 1HG2 ILE 5 7.074 -7.941 -4.707 42 2HG2 ILE 5 2HG2 ILE 5 8.788 -8.138 -5.073 43 3HG2 ILE 5 3HG2 ILE 5 8.228 -6.697 -4.226 44 1HD1 ILE 5 1HD1 ILE 5 11.158 -9.698 -2.458 45 2HD1 ILE 5 2HD1 ILE 5 10.771 -8.347 -3.526 46 3HD1 ILE 5 3HD1 ILE 5 11.030 -9.958 -4.197 47 H VAL 6 H VAL 6 9.039 -4.978 -2.094 48 HA VAL 6 HA VAL 6 6.418 -4.563 -0.813 49 HB VAL 6 HB VAL 6 8.350 -3.578 0.411 50 1HG1 VAL 6 1HG1 VAL 6 8.955 -1.333 -1.134 51 2HG1 VAL 6 2HG1 VAL 6 9.043 -2.706 -2.226 52 3HG1 VAL 6 3HG1 VAL 6 9.997 -2.698 -0.766 53 1HG2 VAL 6 1HG2 VAL 6 6.705 -1.369 -0.794 54 2HG2 VAL 6 2HG2 VAL 6 7.332 -1.500 0.848 55 3HG2 VAL 6 3HG2 VAL 6 6.019 -2.546 0.318 56 H TRP 7 H TRP 7 4.828 -3.639 -1.996 57 HA TRP 7 HA TRP 7 5.615 -2.310 -4.504 58 1HB TRP 7 2HB TRP 7 3.348 -4.182 -3.917 59 2HB TRP 7 1HB TRP 7 3.188 -2.991 -5.206 60 HD1 TRP 7 HD1 TRP 7 6.695 -4.175 -4.948 61 HE1 TRP 7 1HE TRP 7 7.228 -5.840 -6.824 62 HE3 TRP 7 3HE TRP 7 1.945 -5.076 -6.581 63 HZ2 TRP 7 2HZ TRP 7 5.813 -7.357 -8.745 64 HZ3 TRP 7 3HZ TRP 7 1.617 -6.646 -8.444 65 HH2 TRP 7 HH2 TRP 7 3.511 -7.764 -9.503 66 H VAL 8 H VAL 8 5.088 -0.252 -4.695 67 HA VAL 8 HA VAL 8 3.128 0.862 -2.798 68 HB VAL 8 HB VAL 8 5.122 2.672 -4.034 69 1HG1 VAL 8 1HG1 VAL 8 4.560 3.995 -2.329 70 2HG1 VAL 8 2HG1 VAL 8 4.750 2.703 -1.145 71 3HG1 VAL 8 3HG1 VAL 8 3.242 2.859 -2.047 72 1HG2 VAL 8 1HG2 VAL 8 6.908 1.442 -3.463 73 2HG2 VAL 8 2HG2 VAL 8 5.940 0.318 -2.509 74 3HG2 VAL 8 3HG2 VAL 8 6.491 1.831 -1.794 75 H VAL 9 H VAL 9 1.660 2.411 -3.507 76 HA VAL 9 HA VAL 9 1.579 2.852 -6.417 77 HB VAL 9 HB VAL 9 -1.082 3.003 -5.317 78 1HG1 VAL 9 1HG1 VAL 9 0.349 1.464 -7.436 79 2HG1 VAL 9 2HG1 VAL 9 -0.887 2.696 -7.617 80 3HG1 VAL 9 3HG1 VAL 9 -1.324 1.078 -7.064 81 1HG2 VAL 9 1HG2 VAL 9 0.464 0.491 -4.731 82 2HG2 VAL 9 2HG2 VAL 9 -1.282 0.477 -4.965 83 3HG2 VAL 9 3HG2 VAL 9 -0.578 1.413 -3.651 84 H ASP 10 H ASP 10 2.016 4.909 -6.781 85 HA ASP 10 HA ASP 10 0.458 7.006 -5.574 86 1HB ASP 10 2HB ASP 10 2.638 6.313 -4.114 87 2HB ASP 10 1HB ASP 10 3.348 7.513 -5.189 88 H ASP 11 H ASP 11 2.272 9.120 -6.167 89 HA ASP 11 HA ASP 11 1.756 9.468 -8.917 90 1HB ASP 11 2HB ASP 11 2.090 11.232 -7.030 91 2HB ASP 11 1HB ASP 11 3.794 11.103 -7.454 92 H ASP 12 H ASP 12 4.066 7.524 -7.584 93 HA ASP 12 HA ASP 12 5.874 6.451 -8.455 94 1HB ASP 12 2HB ASP 12 4.366 7.203 -10.691 95 2HB ASP 12 1HB ASP 12 6.012 7.702 -11.071 96 H SER 13 H SER 13 7.793 7.439 -10.348 97 HA SER 13 HA SER 13 9.864 8.383 -10.049 98 1HB SER 13 2HB SER 13 8.221 9.835 -11.429 99 2HB SER 13 1HB SER 13 8.368 10.966 -10.087 100 HG SER 13 HG SER 13 10.747 10.622 -10.448 101 H SER 14 H SER 14 8.239 11.023 -8.407 102 HA SER 14 HA SER 14 10.205 11.410 -6.496 103 1HB SER 14 2HB SER 14 8.552 13.120 -6.947 104 2HB SER 14 1HB SER 14 7.258 12.080 -6.352 105 HG SER 14 HG SER 14 8.942 13.694 -4.974 106 H ILE 15 H ILE 15 6.992 9.989 -5.835 107 HA ILE 15 HA ILE 15 7.666 9.040 -3.286 108 HB ILE 15 HB ILE 15 5.580 7.802 -5.074 109 1HG1 ILE 15 2HG1 ILE 15 5.268 10.230 -5.096 110 2HG1 ILE 15 1HG1 ILE 15 4.002 9.458 -4.154 111 1HG2 ILE 15 1HG2 ILE 15 6.093 6.636 -2.969 112 2HG2 ILE 15 2HG2 ILE 15 4.451 7.281 -2.996 113 3HG2 ILE 15 3HG2 ILE 15 5.709 8.108 -2.078 114 1HD1 ILE 15 1HD1 ILE 15 6.379 10.378 -2.669 115 2HD1 ILE 15 2HD1 ILE 15 4.674 10.403 -2.222 116 3HD1 ILE 15 3HD1 ILE 15 5.313 11.618 -3.330 117 H ARG 16 H ARG 16 8.163 7.721 -6.445 118 HA ARG 16 HA ARG 16 8.663 5.034 -5.620 119 1HB ARG 16 2HB ARG 16 7.994 5.594 -7.924 120 2HB ARG 16 1HB ARG 16 9.505 6.466 -8.147 121 1HG ARG 16 2HG ARG 16 10.167 3.874 -7.245 122 2HG ARG 16 1HG ARG 16 8.965 3.695 -8.520 123 1HD ARG 16 2HD ARG 16 11.223 5.582 -8.955 124 2HD ARG 16 1HD ARG 16 11.540 3.853 -9.064 125 HE ARG 16 HE ARG 16 9.265 4.592 -10.599 126 1HH1 ARG 16 1HH1 ARG 16 12.755 4.629 -10.600 127 2HH1 ARG 16 2HH1 ARG 16 12.880 4.598 -12.327 128 1HH2 ARG 16 1HH2 ARG 16 9.427 4.550 -12.870 129 2HH2 ARG 16 2HH2 ARG 16 10.991 4.553 -13.617 130 H TRP 17 H TRP 17 10.730 7.809 -6.372 131 HA TRP 17 HA TRP 17 13.168 6.431 -6.058 132 1HB TRP 17 2HB TRP 17 12.944 8.573 -7.283 133 2HB TRP 17 1HB TRP 17 12.669 9.391 -5.747 134 HD1 TRP 17 HD1 TRP 17 15.435 7.337 -7.510 135 HE1 TRP 17 1HE TRP 17 17.711 8.135 -6.614 136 HE3 TRP 17 3HE TRP 17 13.801 10.647 -3.975 137 HZ2 TRP 17 2HZ TRP 17 18.686 9.931 -4.664 138 HZ3 TRP 17 3HZ TRP 17 15.470 11.863 -2.637 139 HH2 TRP 17 HH2 TRP 17 17.860 11.511 -2.977 140 H VAL 18 H VAL 18 11.220 8.346 -3.807 141 HA VAL 18 HA VAL 18 13.120 8.298 -1.719 142 HB VAL 18 HB VAL 18 10.167 8.588 -1.281 143 1HG1 VAL 18 1HG1 VAL 18 12.360 10.103 0.080 144 2HG1 VAL 18 2HG1 VAL 18 11.936 8.472 0.597 145 3HG1 VAL 18 3HG1 VAL 18 10.727 9.754 0.646 146 1HG2 VAL 18 1HG2 VAL 18 11.835 10.218 -2.959 147 2HG2 VAL 18 2HG2 VAL 18 11.290 11.145 -1.563 148 3HG2 VAL 18 3HG2 VAL 18 10.111 10.365 -2.615 149 H LEU 19 H LEU 19 10.395 6.230 -2.486 150 HA LEU 19 HA LEU 19 10.731 4.694 -0.087 151 1HB LEU 19 2HB LEU 19 8.814 4.660 -2.352 152 2HB LEU 19 1HB LEU 19 8.983 3.205 -1.388 153 HG LEU 19 HG LEU 19 8.276 5.918 -0.272 154 1HD1 LEU 19 1HD1 LEU 19 6.100 4.337 0.106 155 2HD1 LEU 19 2HD1 LEU 19 6.650 3.805 -1.482 156 3HD1 LEU 19 3HD1 LEU 19 6.282 5.507 -1.201 157 1HD2 LEU 19 1HD2 LEU 19 8.159 3.193 1.009 158 2HD2 LEU 19 2HD2 LEU 19 7.782 4.741 1.766 159 3HD2 LEU 19 3HD2 LEU 19 9.438 4.376 1.281 160 H GLU 20 H GLU 20 11.741 4.417 -3.398 161 HA GLU 20 HA GLU 20 12.240 1.639 -3.358 162 1HB GLU 20 2HB GLU 20 13.493 1.940 -5.377 163 2HB GLU 20 1HB GLU 20 12.053 2.934 -5.448 164 1HG GLU 20 2HG GLU 20 13.456 4.887 -4.827 165 2HG GLU 20 1HG GLU 20 14.872 3.842 -4.934 166 H ARG 21 H ARG 21 14.508 4.342 -3.125 167 HA ARG 21 HA ARG 21 16.769 2.808 -2.533 168 1HB ARG 21 2HB ARG 21 16.095 5.687 -1.957 169 2HB ARG 21 1HB ARG 21 17.667 4.990 -1.590 170 1HG ARG 21 2HG ARG 21 16.747 4.503 -4.327 171 2HG ARG 21 1HG ARG 21 17.001 6.204 -3.930 172 1HD ARG 21 2HD ARG 21 19.228 5.967 -3.829 173 2HD ARG 21 1HD ARG 21 19.121 4.431 -2.974 174 HE ARG 21 HE ARG 21 18.925 3.321 -5.074 175 1HH1 ARG 21 1HH1 ARG 21 19.659 6.733 -5.349 176 2HH1 ARG 21 2HH1 ARG 21 20.281 6.589 -6.956 177 1HH2 ARG 21 1HH2 ARG 21 19.737 3.147 -7.188 178 2HH2 ARG 21 2HH2 ARG 21 20.324 4.561 -8.000 179 H ALA 22 H ALA 22 14.655 4.607 -0.282 180 HA ALA 22 HA ALA 22 15.963 3.871 2.061 181 1HB ALA 22 1HB ALA 22 13.215 4.054 2.674 182 2HB ALA 22 2HB ALA 22 13.539 5.207 1.379 183 3HB ALA 22 3HB ALA 22 14.460 5.286 2.882 184 H LEU 23 H LEU 23 13.340 2.271 0.366 185 HA LEU 23 HA LEU 23 13.065 0.183 2.280 186 1HB LEU 23 2HB LEU 23 11.345 0.951 0.567 187 2HB LEU 23 1HB LEU 23 12.255 0.027 -0.613 188 HG LEU 23 HG LEU 23 10.199 -1.075 0.433 189 1HD1 LEU 23 1HD1 LEU 23 12.024 -2.221 -0.848 190 2HD1 LEU 23 2HD1 LEU 23 11.136 -3.229 0.298 191 3HD1 LEU 23 3HD1 LEU 23 12.745 -2.636 0.706 192 1HD2 LEU 23 1HD2 LEU 23 10.752 -0.402 2.761 193 2HD2 LEU 23 2HD2 LEU 23 12.094 -1.548 2.722 194 3HD2 LEU 23 3HD2 LEU 23 10.433 -2.126 2.560 195 H ALA 24 H ALA 24 15.007 0.679 -0.550 196 HA ALA 24 HA ALA 24 15.866 -1.986 -0.915 197 1HB ALA 24 1HB ALA 24 17.974 -0.311 -1.706 198 2HB ALA 24 2HB ALA 24 16.498 0.596 -2.023 199 3HB ALA 24 3HB ALA 24 16.718 -1.003 -2.730 200 H GLY 25 H GLY 25 16.869 0.659 1.158 201 1HA GLY 25 2HA GLY 25 19.312 -0.443 2.057 202 2HA GLY 25 1HA GLY 25 18.334 0.734 2.928 203 H ALA 26 H ALA 26 15.995 -1.117 2.821 204 HA ALA 26 HA ALA 26 16.540 -2.501 5.261 205 1HB ALA 26 1HB ALA 26 14.394 -1.599 5.184 206 2HB ALA 26 2HB ALA 26 14.131 -3.317 4.893 207 3HB ALA 26 3HB ALA 26 14.104 -2.181 3.543 208 H GLY 27 H GLY 27 16.802 -3.254 1.956 209 1HA GLY 27 2HA GLY 27 17.887 -5.215 1.207 210 2HA GLY 27 1HA GLY 27 17.332 -6.044 2.650 211 H LEU 28 H LEU 28 15.071 -4.163 0.716 212 HA LEU 28 HA LEU 28 14.117 -6.656 -0.466 213 1HB LEU 28 2HB LEU 28 11.984 -4.820 0.335 214 2HB LEU 28 1HB LEU 28 12.049 -6.564 0.402 215 HG LEU 28 HG LEU 28 13.748 -6.026 2.388 216 1HD1 LEU 28 1HD1 LEU 28 12.812 -4.139 3.704 217 2HD1 LEU 28 2HD1 LEU 28 11.882 -3.671 2.283 218 3HD1 LEU 28 3HD1 LEU 28 13.644 -3.644 2.230 219 1HD2 LEU 28 1HD2 LEU 28 12.181 -7.153 3.484 220 2HD2 LEU 28 2HD2 LEU 28 11.093 -6.908 2.116 221 3HD2 LEU 28 3HD2 LEU 28 11.101 -5.759 3.455 222 H THR 29 H THR 29 12.314 -6.206 -2.116 223 HA THR 29 HA THR 29 13.334 -4.137 -3.909 224 HB THR 29 HB THR 29 11.564 -6.542 -4.306 225 HG1 THR 29 1HG THR 29 13.272 -7.100 -5.724 226 1HG2 THR 29 1HG2 THR 29 10.534 -5.265 -5.885 227 2HG2 THR 29 2HG2 THR 29 11.911 -5.858 -6.813 228 3HG2 THR 29 3HG2 THR 29 11.942 -4.231 -6.134 229 H CYS 30 H CYS 30 12.296 -2.302 -4.324 230 HA CYS 30 HA CYS 30 9.473 -2.069 -3.518 231 1HB CYS 30 2HB CYS 30 10.896 -0.853 -1.958 232 2HB CYS 30 1HB CYS 30 11.641 0.014 -3.293 233 HG CYS 30 HG CYS 30 8.704 0.464 -2.374 234 H THR 31 H THR 31 8.233 -1.901 -5.178 235 HA THR 31 HA THR 31 9.131 -0.301 -7.480 236 HB THR 31 HB THR 31 8.742 -2.865 -7.795 237 HG1 THR 31 1HG THR 31 7.304 -1.066 -9.453 238 1HG2 THR 31 1HG2 THR 31 6.337 -2.451 -6.662 239 2HG2 THR 31 2HG2 THR 31 6.685 -3.745 -7.811 240 3HG2 THR 31 3HG2 THR 31 5.933 -2.254 -8.368 241 H THR 32 H THR 32 7.487 1.029 -8.462 242 HA THR 32 HA THR 32 5.170 1.442 -6.719 243 HB THR 32 HB THR 32 5.340 3.828 -7.030 244 HG1 THR 32 1HG THR 32 6.428 4.591 -8.631 245 1HG2 THR 32 1HG2 THR 32 8.160 3.332 -6.426 246 2HG2 THR 32 2HG2 THR 32 7.016 2.387 -5.468 247 3HG2 THR 32 3HG2 THR 32 6.914 4.151 -5.479 248 H PHE 33 H PHE 33 3.387 2.637 -7.745 249 HA PHE 33 HA PHE 33 3.165 2.081 -10.610 250 1HB PHE 33 2HB PHE 33 1.077 1.400 -8.558 251 2HB PHE 33 1HB PHE 33 0.920 1.197 -10.285 252 HD1 PHE 33 1HD PHE 33 1.214 -0.941 -11.082 253 HD2 PHE 33 2HD PHE 33 3.315 0.245 -7.584 254 HE1 PHE 33 1HE PHE 33 2.163 -3.190 -10.898 255 HE2 PHE 33 2HE PHE 33 4.275 -2.006 -7.390 256 HZ PHE 33 HZ PHE 33 3.687 -3.743 -9.056 257 H GLU 34 H GLU 34 0.993 3.049 -11.444 258 HA GLU 34 HA GLU 34 1.253 5.812 -11.307 259 1HB GLU 34 2HB GLU 34 -0.578 5.929 -12.802 260 2HB GLU 34 1HB GLU 34 0.295 4.452 -13.178 261 1HG GLU 34 2HG GLU 34 -1.576 3.601 -11.364 262 2HG GLU 34 1HG GLU 34 -2.447 4.830 -12.277 263 H ASN 35 H ASN 35 -1.201 3.793 -9.600 264 HA ASN 35 HA ASN 35 -1.538 5.809 -7.643 265 1HB ASN 35 2HB ASN 35 -3.293 5.895 -9.981 266 2HB ASN 35 1HB ASN 35 -4.155 5.885 -8.449 267 1HD2 ASN 35 1HD2 ASN 35 -3.585 7.527 -6.882 268 2HD2 ASN 35 2HD2 ASN 35 -3.031 9.066 -7.435 269 H GLY 36 H GLY 36 -2.954 3.011 -9.200 270 1HA GLY 36 2HA GLY 36 -3.092 1.525 -6.810 271 2HA GLY 36 1HA GLY 36 -4.669 2.220 -7.137 272 H ASN 37 H ASN 37 -5.252 1.947 -9.608 273 HA ASN 37 HA ASN 37 -5.878 -0.690 -10.027 274 1HB ASN 37 2HB ASN 37 -5.679 1.650 -11.889 275 2HB ASN 37 1HB ASN 37 -6.117 0.057 -12.499 276 1HD2 ASN 37 1HD2 ASN 37 -7.726 -0.980 -10.663 277 2HD2 ASN 37 2HD2 ASN 37 -9.129 -0.001 -10.417 278 H GLU 38 H GLU 38 -2.960 1.012 -10.988 279 HA GLU 38 HA GLU 38 -1.990 -0.842 -12.831 280 1HB GLU 38 2HB GLU 38 -1.048 1.501 -11.768 281 2HB GLU 38 1HB GLU 38 0.079 0.318 -11.135 282 1HG GLU 38 2HG GLU 38 -0.358 -0.225 -13.894 283 2HG GLU 38 1HG GLU 38 0.031 1.481 -13.699 284 H VAL 39 H VAL 39 -1.408 -0.743 -9.260 285 HA VAL 39 HA VAL 39 0.175 -3.090 -9.253 286 HB VAL 39 HB VAL 39 -1.609 -2.320 -6.952 287 1HG1 VAL 39 1HG1 VAL 39 1.128 -3.154 -6.430 288 2HG1 VAL 39 2HG1 VAL 39 0.203 -4.368 -7.309 289 3HG1 VAL 39 3HG1 VAL 39 -0.384 -3.761 -5.761 290 1HG2 VAL 39 1HG2 VAL 39 1.154 -1.243 -7.264 291 2HG2 VAL 39 2HG2 VAL 39 -0.153 -0.673 -6.237 292 3HG2 VAL 39 3HG2 VAL 39 -0.210 -0.387 -7.973 293 H LEU 40 H LEU 40 -3.296 -2.568 -9.008 294 HA LEU 40 HA LEU 40 -4.107 -5.132 -8.298 295 1HB LEU 40 2HB LEU 40 -5.645 -3.424 -10.231 296 2HB LEU 40 1HB LEU 40 -6.272 -4.525 -9.018 297 HG LEU 40 HG LEU 40 -4.989 -1.839 -8.511 298 1HD1 LEU 40 1HD1 LEU 40 -7.504 -1.978 -7.335 299 2HD1 LEU 40 2HD1 LEU 40 -7.708 -2.695 -8.934 300 3HD1 LEU 40 3HD1 LEU 40 -7.055 -1.067 -8.774 301 1HD2 LEU 40 1HD2 LEU 40 -5.332 -4.137 -6.781 302 2HD2 LEU 40 2HD2 LEU 40 -6.157 -2.713 -6.163 303 3HD2 LEU 40 3HD2 LEU 40 -4.430 -2.649 -6.509 304 H ALA 41 H ALA 41 -3.426 -3.752 -11.466 305 HA ALA 41 HA ALA 41 -4.140 -6.090 -12.931 306 1HB ALA 41 1HB ALA 41 -3.371 -4.957 -14.852 307 2HB ALA 41 2HB ALA 41 -2.334 -3.900 -13.894 308 3HB ALA 41 3HB ALA 41 -4.087 -3.723 -13.815 309 H ALA 42 H ALA 42 -1.069 -4.654 -11.985 310 HA ALA 42 HA ALA 42 0.594 -6.610 -13.141 311 1HB ALA 42 1HB ALA 42 2.383 -5.605 -12.012 312 2HB ALA 42 2HB ALA 42 1.359 -5.041 -10.691 313 3HB ALA 42 3HB ALA 42 1.243 -4.289 -12.284 314 H LEU 43 H LEU 43 -1.142 -6.505 -10.133 315 HA LEU 43 HA LEU 43 0.316 -8.518 -8.790 316 1HB LEU 43 2HB LEU 43 -2.319 -7.202 -8.421 317 2HB LEU 43 1HB LEU 43 -2.006 -8.690 -7.547 318 HG LEU 43 HG LEU 43 -0.048 -6.431 -7.406 319 1HD1 LEU 43 1HD1 LEU 43 -1.746 -6.376 -5.147 320 2HD1 LEU 43 2HD1 LEU 43 -2.755 -6.306 -6.587 321 3HD1 LEU 43 3HD1 LEU 43 -1.486 -5.121 -6.352 322 1HD2 LEU 43 1HD2 LEU 43 -0.127 -7.574 -4.981 323 2HD2 LEU 43 2HD2 LEU 43 0.912 -8.147 -6.285 324 3HD2 LEU 43 3HD2 LEU 43 -0.626 -8.947 -5.969 325 H ALA 44 H ALA 44 -2.144 -8.634 -11.197 326 HA ALA 44 HA ALA 44 -3.301 -11.106 -10.710 327 1HB ALA 44 1HB ALA 44 -3.186 -11.011 -13.453 328 2HB ALA 44 2HB ALA 44 -3.055 -9.314 -12.996 329 3HB ALA 44 3HB ALA 44 -4.431 -10.270 -12.447 330 H SER 45 H SER 45 -0.075 -10.399 -11.611 331 HA SER 45 HA SER 45 0.390 -13.222 -12.188 332 1HB SER 45 2HB SER 45 1.228 -10.822 -13.656 333 2HB SER 45 1HB SER 45 2.520 -11.990 -13.376 334 HG SER 45 HG SER 45 0.932 -13.580 -14.208 335 H LYS 46 H LYS 46 0.863 -10.931 -9.897 336 HA LYS 46 HA LYS 46 2.934 -12.437 -8.632 337 1HB LYS 46 2HB LYS 46 3.814 -10.403 -10.291 338 2HB LYS 46 1HB LYS 46 3.815 -9.659 -8.697 339 1HG LYS 46 2HG LYS 46 4.978 -12.163 -8.321 340 2HG LYS 46 1HG LYS 46 5.653 -11.558 -9.835 341 1HD LYS 46 2HD LYS 46 5.943 -9.343 -8.461 342 2HD LYS 46 1HD LYS 46 5.857 -10.434 -7.077 343 1HE LYS 46 2HE LYS 46 7.698 -11.021 -9.363 344 2HE LYS 46 1HE LYS 46 8.168 -9.868 -8.114 345 1HZ LYS 46 1HZ LYS 46 8.072 -12.729 -8.010 346 2HZ LYS 46 2HZ LYS 46 7.263 -12.014 -6.709 347 3HZ LYS 46 3HZ LYS 46 8.886 -11.639 -7.003 348 H THR 47 H THR 47 3.316 -11.785 -6.433 349 HA THR 47 HA THR 47 1.473 -9.813 -5.365 350 HB THR 47 HB THR 47 1.677 -12.656 -4.374 351 HG1 THR 47 1HG THR 47 0.259 -12.033 -6.226 352 1HG2 THR 47 1HG2 THR 47 -0.077 -10.497 -3.242 353 2HG2 THR 47 2HG2 THR 47 1.467 -10.970 -2.529 354 3HG2 THR 47 3HG2 THR 47 0.151 -12.140 -2.644 355 HA PRO 48 HA PRO 48 5.338 -9.009 -3.196 356 1HB PRO 48 2HB PRO 48 4.673 -6.579 -2.248 357 2HB PRO 48 1HB PRO 48 5.111 -6.829 -3.942 358 1HG PRO 48 2HG PRO 48 2.405 -6.538 -2.707 359 2HG PRO 48 1HG PRO 48 3.021 -5.870 -4.226 360 1HD PRO 48 2HD PRO 48 1.447 -8.106 -4.062 361 2HD PRO 48 1HD PRO 48 2.579 -7.780 -5.390 362 H ASP 49 H ASP 49 5.886 -8.548 -0.900 363 HA ASP 49 HA ASP 49 4.178 -10.044 0.833 364 1HB ASP 49 2HB ASP 49 6.654 -8.420 1.457 365 2HB ASP 49 1HB ASP 49 5.870 -9.541 2.566 366 H VAL 50 H VAL 50 4.523 -6.698 0.059 367 HA VAL 50 HA VAL 50 2.388 -6.050 1.940 368 HB VAL 50 HB VAL 50 4.417 -5.550 3.182 369 1HG1 VAL 50 1HG1 VAL 50 5.184 -3.572 1.078 370 2HG1 VAL 50 2HG1 VAL 50 5.752 -5.239 1.029 371 3HG1 VAL 50 3HG1 VAL 50 6.154 -4.207 2.402 372 1HG2 VAL 50 1HG2 VAL 50 3.385 -2.896 2.248 373 2HG2 VAL 50 2HG2 VAL 50 3.890 -3.386 3.865 374 3HG2 VAL 50 3HG2 VAL 50 2.379 -3.995 3.194 375 H LEU 51 H LEU 51 1.571 -3.716 1.473 376 HA LEU 51 HA LEU 51 2.169 -2.750 -1.191 377 1HB LEU 51 2HB LEU 51 0.425 -4.624 -1.336 378 2HB LEU 51 1HB LEU 51 -0.678 -3.504 -0.565 379 HG LEU 51 HG LEU 51 -0.533 -1.984 -2.446 380 1HD1 LEU 51 1HD1 LEU 51 1.154 -1.949 -3.891 381 2HD1 LEU 51 2HD1 LEU 51 0.924 -3.651 -4.295 382 3HD1 LEU 51 3HD1 LEU 51 1.929 -3.202 -2.921 383 1HD2 LEU 51 1HD2 LEU 51 -2.020 -4.094 -2.478 384 2HD2 LEU 51 2HD2 LEU 51 -0.885 -4.705 -3.678 385 3HD2 LEU 51 3HD2 LEU 51 -1.781 -3.220 -3.989 386 H LEU 52 H LEU 52 2.266 -0.621 -1.076 387 HA LEU 52 HA LEU 52 0.701 0.790 0.976 388 1HB LEU 52 2HB LEU 52 3.416 0.944 0.175 389 2HB LEU 52 1HB LEU 52 2.663 2.450 -0.302 390 HG LEU 52 HG LEU 52 2.363 1.396 2.488 391 1HD1 LEU 52 1HD1 LEU 52 4.323 3.400 2.478 392 2HD1 LEU 52 2HD1 LEU 52 4.797 2.237 1.242 393 3HD1 LEU 52 3HD1 LEU 52 4.515 1.699 2.895 394 1HD2 LEU 52 1HD2 LEU 52 2.085 4.070 1.150 395 2HD2 LEU 52 2HD2 LEU 52 2.225 3.902 2.899 396 3HD2 LEU 52 3HD2 LEU 52 0.871 3.161 2.047 397 H SER 53 H SER 53 -1.006 1.946 0.300 398 HA SER 53 HA SER 53 -1.073 2.769 -2.524 399 1HB SER 53 2HB SER 53 -3.275 1.929 -0.655 400 2HB SER 53 1HB SER 53 -3.599 2.782 -2.162 401 HG SER 53 HG SER 53 -2.467 1.073 -3.238 402 H ASP 54 H ASP 54 -1.510 4.817 -3.085 403 HA ASP 54 HA ASP 54 -1.231 6.846 -1.071 404 1HB ASP 54 2HB ASP 54 -1.169 8.409 -2.913 405 2HB ASP 54 1HB ASP 54 -0.186 7.007 -3.326 406 H ILE 55 H ILE 55 -3.868 5.204 -2.398 407 HA ILE 55 HA ILE 55 -6.110 5.519 -2.430 408 HB ILE 55 HB ILE 55 -5.778 5.373 -0.040 409 1HG1 ILE 55 2HG1 ILE 55 -7.843 7.401 -0.885 410 2HG1 ILE 55 1HG1 ILE 55 -8.047 5.659 -0.742 411 1HG2 ILE 55 1HG2 ILE 55 -5.764 7.510 1.314 412 2HG2 ILE 55 2HG2 ILE 55 -5.328 8.335 -0.177 413 3HG2 ILE 55 3HG2 ILE 55 -4.268 7.093 0.483 414 1HD1 ILE 55 1HD1 ILE 55 -7.526 5.970 1.725 415 2HD1 ILE 55 2HD1 ILE 55 -9.088 6.533 1.150 416 3HD1 ILE 55 3HD1 ILE 55 -7.792 7.687 1.444 417 H ARG 56 H ARG 56 -6.091 6.698 -4.384 418 HA ARG 56 HA ARG 56 -7.619 9.005 -4.398 419 1HB ARG 56 2HB ARG 56 -6.007 10.726 -5.113 420 2HB ARG 56 1HB ARG 56 -5.686 10.174 -3.475 421 1HG ARG 56 2HG ARG 56 -4.120 8.510 -5.001 422 2HG ARG 56 1HG ARG 56 -4.016 10.051 -5.852 423 1HD ARG 56 2HD ARG 56 -3.387 9.532 -2.954 424 2HD ARG 56 1HD ARG 56 -2.241 9.914 -4.231 425 HE ARG 56 HE ARG 56 -3.206 12.135 -4.320 426 1HH1 ARG 56 1HH1 ARG 56 -4.029 10.221 -1.506 427 2HH1 ARG 56 2HH1 ARG 56 -4.391 11.602 -0.529 428 1HH2 ARG 56 1HH2 ARG 56 -3.685 13.936 -3.027 429 2HH2 ARG 56 2HH2 ARG 56 -4.199 13.705 -1.389 430 H MET 57 H MET 57 -8.240 9.590 -6.476 431 HA MET 57 HA MET 57 -8.152 9.713 -8.783 432 1HB MET 57 2HB MET 57 -5.731 8.991 -8.580 433 2HB MET 57 1HB MET 57 -6.310 7.356 -8.872 434 1HG MET 57 2HG MET 57 -7.363 8.204 -10.976 435 2HG MET 57 1HG MET 57 -6.524 9.728 -10.702 436 1HE MET 57 1HE MET 57 -4.600 9.090 -13.411 437 2HE MET 57 2HE MET 57 -6.326 8.892 -13.116 438 3HE MET 57 3HE MET 57 -5.360 7.516 -13.647 439 HA PRO 58 HA PRO 58 -9.797 5.222 -9.708 440 1HB PRO 58 2HB PRO 58 -10.419 3.765 -7.457 441 2HB PRO 58 1HB PRO 58 -8.961 3.534 -8.425 442 1HG PRO 58 2HG PRO 58 -9.331 5.110 -5.904 443 2HG PRO 58 1HG PRO 58 -8.009 4.008 -6.353 444 1HD PRO 58 2HD PRO 58 -7.699 6.637 -6.528 445 2HD PRO 58 1HD PRO 58 -7.028 5.580 -7.783 446 H GLY 59 H GLY 59 -12.051 4.268 -9.227 447 1HA GLY 59 2HA GLY 59 -13.994 6.161 -9.283 448 2HA GLY 59 1HA GLY 59 -14.280 4.542 -8.667 449 H MET 60 H MET 60 -13.731 4.196 -6.361 450 HA MET 60 HA MET 60 -14.999 6.151 -4.734 451 1HB MET 60 2HB MET 60 -14.579 3.476 -4.512 452 2HB MET 60 1HB MET 60 -13.351 4.082 -3.412 453 1HG MET 60 2HG MET 60 -16.023 5.270 -3.107 454 2HG MET 60 1HG MET 60 -15.893 3.557 -2.708 455 1HE MET 60 1HE MET 60 -16.449 3.544 -0.522 456 2HE MET 60 2HE MET 60 -16.627 5.206 0.038 457 3HE MET 60 3HE MET 60 -15.504 4.117 0.850 458 H ASP 61 H ASP 61 -13.161 7.668 -5.784 459 HA ASP 61 HA ASP 61 -11.444 9.095 -5.434 460 1HB ASP 61 2HB ASP 61 -12.592 8.538 -2.812 461 2HB ASP 61 1HB ASP 61 -10.897 9.005 -2.713 462 H GLY 62 H GLY 62 -10.647 6.923 -2.759 463 1HA GLY 62 2HA GLY 62 -8.306 5.997 -4.278 464 2HA GLY 62 1HA GLY 62 -8.096 6.690 -2.683 465 H LEU 63 H LEU 63 -10.497 5.479 -1.545 466 HA LEU 63 HA LEU 63 -9.332 3.072 -0.700 467 1HB LEU 63 2HB LEU 63 -12.194 3.970 -0.434 468 2HB LEU 63 1HB LEU 63 -11.506 2.578 0.381 469 HG LEU 63 HG LEU 63 -9.780 4.455 1.210 470 1HD1 LEU 63 1HD1 LEU 63 -12.347 5.897 0.632 471 2HD1 LEU 63 2HD1 LEU 63 -10.713 6.329 0.139 472 3HD1 LEU 63 3HD1 LEU 63 -11.184 6.455 1.833 473 1HD2 LEU 63 1HD2 LEU 63 -12.462 4.042 2.507 474 2HD2 LEU 63 2HD2 LEU 63 -10.937 4.445 3.291 475 3HD2 LEU 63 3HD2 LEU 63 -11.157 2.860 2.549 476 H ALA 64 H ALA 64 -11.091 3.813 -3.501 477 HA ALA 64 HA ALA 64 -12.506 1.506 -4.053 478 1HB ALA 64 1HB ALA 64 -12.028 2.059 -6.465 479 2HB ALA 64 2HB ALA 64 -11.019 3.374 -5.863 480 3HB ALA 64 3HB ALA 64 -12.737 3.345 -5.496 481 H LEU 65 H LEU 65 -9.100 2.208 -4.776 482 HA LEU 65 HA LEU 65 -8.415 -0.106 -6.101 483 1HB LEU 65 2HB LEU 65 -6.120 0.301 -5.374 484 2HB LEU 65 1HB LEU 65 -6.902 1.783 -5.885 485 HG LEU 65 HG LEU 65 -7.389 1.948 -3.259 486 1HD1 LEU 65 1HD1 LEU 65 -6.141 -0.267 -3.006 487 2HD1 LEU 65 2HD1 LEU 65 -5.720 1.047 -1.911 488 3HD1 LEU 65 3HD1 LEU 65 -4.683 0.677 -3.287 489 1HD2 LEU 65 1HD2 LEU 65 -4.739 2.887 -3.561 490 2HD2 LEU 65 2HD2 LEU 65 -6.237 3.807 -3.664 491 3HD2 LEU 65 3HD2 LEU 65 -5.545 3.083 -5.113 492 H LEU 66 H LEU 66 -8.664 0.430 -2.617 493 HA LEU 66 HA LEU 66 -7.541 -1.970 -1.745 494 1HB LEU 66 2HB LEU 66 -9.671 -0.218 -0.550 495 2HB LEU 66 1HB LEU 66 -9.093 -1.660 0.260 496 HG LEU 66 HG LEU 66 -6.737 -0.478 -0.179 497 1HD1 LEU 66 1HD1 LEU 66 -6.776 1.722 -0.554 498 2HD1 LEU 66 2HD1 LEU 66 -8.105 1.980 0.571 499 3HD1 LEU 66 3HD1 LEU 66 -8.437 1.471 -1.082 500 1HD2 LEU 66 1HD2 LEU 66 -7.228 -1.120 1.991 501 2HD2 LEU 66 2HD2 LEU 66 -8.707 -0.161 2.049 502 3HD2 LEU 66 3HD2 LEU 66 -7.138 0.635 2.123 503 H LYS 67 H LYS 67 -10.915 -1.203 -2.538 504 HA LYS 67 HA LYS 67 -12.095 -3.620 -1.950 505 1HB LYS 67 2HB LYS 67 -12.656 -1.728 -4.234 506 2HB LYS 67 1HB LYS 67 -13.681 -3.101 -3.846 507 1HG LYS 67 2HG LYS 67 -14.744 -1.936 -2.298 508 2HG LYS 67 1HG LYS 67 -13.226 -1.567 -1.477 509 1HD LYS 67 2HD LYS 67 -13.175 0.520 -2.294 510 2HD LYS 67 1HD LYS 67 -13.615 -0.018 -3.917 511 1HE LYS 67 2HE LYS 67 -15.637 0.125 -1.706 512 2HE LYS 67 1HE LYS 67 -15.235 1.538 -2.682 513 1HZ LYS 67 1HZ LYS 67 -17.130 -0.232 -3.322 514 2HZ LYS 67 2HZ LYS 67 -15.822 -0.869 -4.181 515 3HZ LYS 67 3HZ LYS 67 -16.316 0.725 -4.455 516 H GLN 68 H GLN 68 -10.361 -2.685 -4.904 517 HA GLN 68 HA GLN 68 -10.755 -5.126 -6.272 518 1HB GLN 68 2HB GLN 68 -8.452 -3.200 -6.584 519 2HB GLN 68 1HB GLN 68 -8.980 -4.392 -7.760 520 1HG GLN 68 2HG GLN 68 -10.632 -2.051 -6.838 521 2HG GLN 68 1HG GLN 68 -9.658 -2.079 -8.308 522 1HE2 GLN 68 1HE2 GLN 68 -10.393 -3.144 -10.084 523 2HE2 GLN 68 2HE2 GLN 68 -11.964 -3.857 -10.192 524 H ILE 69 H ILE 69 -8.564 -4.109 -3.791 525 HA ILE 69 HA ILE 69 -6.531 -6.012 -4.132 526 HB ILE 69 HB ILE 69 -7.446 -4.521 -1.681 527 1HG1 ILE 69 2HG1 ILE 69 -4.980 -4.179 -3.373 528 2HG1 ILE 69 1HG1 ILE 69 -6.439 -3.229 -3.585 529 1HG2 ILE 69 1HG2 ILE 69 -5.351 -6.593 -1.985 530 2HG2 ILE 69 2HG2 ILE 69 -6.393 -6.236 -0.613 531 3HG2 ILE 69 3HG2 ILE 69 -5.001 -5.208 -0.959 532 1HD1 ILE 69 1HD1 ILE 69 -4.282 -2.977 -1.662 533 2HD1 ILE 69 2HD1 ILE 69 -5.879 -2.946 -0.918 534 3HD1 ILE 69 3HD1 ILE 69 -5.477 -1.796 -2.187 535 H LYS 70 H LYS 70 -9.540 -6.113 -2.339 536 HA LYS 70 HA LYS 70 -9.004 -8.639 -1.141 537 1HB LYS 70 2HB LYS 70 -11.210 -8.558 -0.266 538 2HB LYS 70 1HB LYS 70 -10.588 -6.917 -0.218 539 1HG LYS 70 2HG LYS 70 -11.807 -6.578 -2.424 540 2HG LYS 70 1HG LYS 70 -12.641 -8.083 -2.055 541 1HD LYS 70 2HD LYS 70 -13.739 -7.181 -0.236 542 2HD LYS 70 1HD LYS 70 -12.520 -5.930 0.009 543 1HE LYS 70 2HE LYS 70 -14.342 -4.753 -0.834 544 2HE LYS 70 1HE LYS 70 -13.320 -4.999 -2.248 545 1HZ LYS 70 1HZ LYS 70 -15.942 -5.601 -2.111 546 2HZ LYS 70 2HZ LYS 70 -15.233 -7.106 -1.810 547 3HZ LYS 70 3HZ LYS 70 -14.855 -6.264 -3.227 548 H GLN 71 H GLN 71 -10.377 -7.579 -4.119 549 HA GLN 71 HA GLN 71 -11.546 -10.133 -4.710 550 1HB GLN 71 2HB GLN 71 -11.324 -7.563 -6.246 551 2HB GLN 71 1HB GLN 71 -11.967 -9.029 -6.976 552 1HG GLN 71 2HG GLN 71 -13.863 -9.010 -5.675 553 2HG GLN 71 1HG GLN 71 -13.108 -8.053 -4.402 554 1HE2 GLN 71 1HE2 GLN 71 -12.583 -5.804 -4.965 555 2HE2 GLN 71 2HE2 GLN 71 -13.670 -4.940 -5.994 556 H ARG 72 H ARG 72 -8.667 -8.359 -5.561 557 HA ARG 72 HA ARG 72 -7.858 -10.542 -7.345 558 1HB ARG 72 2HB ARG 72 -7.238 -7.643 -7.256 559 2HB ARG 72 1HB ARG 72 -5.969 -8.719 -7.832 560 1HG ARG 72 2HG ARG 72 -7.175 -7.934 -9.719 561 2HG ARG 72 1HG ARG 72 -7.592 -9.632 -9.486 562 1HD ARG 72 2HD ARG 72 -9.543 -8.513 -8.040 563 2HD ARG 72 1HD ARG 72 -9.255 -7.200 -9.182 564 HE ARG 72 HE ARG 72 -9.602 -9.844 -10.329 565 1HH1 ARG 72 1HH1 ARG 72 -11.095 -6.802 -9.483 566 2HH1 ARG 72 2HH1 ARG 72 -12.404 -6.996 -10.599 567 1HH2 ARG 72 1HH2 ARG 72 -11.326 -10.104 -11.783 568 2HH2 ARG 72 2HH2 ARG 72 -12.540 -8.873 -11.900 569 H HIS 73 H HIS 73 -6.829 -8.750 -4.523 570 HA HIS 73 HA HIS 73 -4.424 -10.412 -4.338 571 1HB HIS 73 2HB HIS 73 -5.011 -8.257 -2.354 572 2HB HIS 73 1HB HIS 73 -3.461 -8.813 -2.971 573 HD1 HIS 73 1HD HIS 73 -3.860 -5.843 -2.934 574 HD2 HIS 73 2HD HIS 73 -4.987 -8.192 -6.148 575 HE1 HIS 73 1HE HIS 73 -3.994 -4.284 -4.906 576 HE2 HIS 73 2HE HIS 73 -4.693 -5.743 -6.828 577 HA PRO 74 HA PRO 74 -6.436 -12.722 -1.105 578 1HB PRO 74 2HB PRO 74 -4.573 -14.592 -0.775 579 2HB PRO 74 1HB PRO 74 -5.487 -14.480 -2.286 580 1HG PRO 74 2HG PRO 74 -2.685 -13.687 -1.709 581 2HG PRO 74 1HG PRO 74 -3.399 -14.278 -3.218 582 1HD PRO 74 2HD PRO 74 -2.878 -11.576 -2.497 583 2HD PRO 74 1HD PRO 74 -3.739 -12.157 -3.934 584 H MET 75 H MET 75 -6.484 -11.397 0.687 585 HA MET 75 HA MET 75 -5.917 -10.530 2.706 586 1HB MET 75 2HB MET 75 -4.455 -13.132 2.609 587 2HB MET 75 1HB MET 75 -4.414 -12.120 4.046 588 1HG MET 75 2HG MET 75 -7.085 -12.245 3.498 589 2HG MET 75 1HG MET 75 -6.526 -13.841 2.997 590 1HE MET 75 1HE MET 75 -8.122 -12.872 6.712 591 2HE MET 75 2HE MET 75 -8.450 -14.372 5.843 592 3HE MET 75 3HE MET 75 -8.536 -12.825 4.999 593 H LEU 76 H LEU 76 -4.237 -9.796 0.355 594 HA LEU 76 HA LEU 76 -1.549 -9.541 1.216 595 1HB LEU 76 2HB LEU 76 -2.127 -9.474 -1.139 596 2HB LEU 76 1HB LEU 76 -3.101 -8.037 -0.887 597 HG LEU 76 HG LEU 76 -0.863 -6.981 -0.056 598 1HD1 LEU 76 1HD1 LEU 76 0.051 -9.404 -1.574 599 2HD1 LEU 76 2HD1 LEU 76 0.565 -8.841 0.016 600 3HD1 LEU 76 3HD1 LEU 76 1.043 -7.954 -1.429 601 1HD2 LEU 76 1HD2 LEU 76 -0.852 -7.459 -2.987 602 2HD2 LEU 76 2HD2 LEU 76 -0.697 -5.954 -2.083 603 3HD2 LEU 76 3HD2 LEU 76 -2.278 -6.707 -2.274 604 HA PRO 77 HA PRO 77 -2.407 -6.330 4.276 605 1HB PRO 77 2HB PRO 77 0.562 -6.147 4.122 606 2HB PRO 77 1HB PRO 77 -0.485 -6.280 5.541 607 1HG PRO 77 2HG PRO 77 0.905 -8.382 4.707 608 2HG PRO 77 1HG PRO 77 -0.761 -8.575 5.284 609 1HD PRO 77 2HD PRO 77 0.284 -8.553 2.480 610 2HD PRO 77 1HD PRO 77 -0.989 -9.560 3.200 611 H VAL 78 H VAL 78 -2.989 -4.341 3.746 612 HA VAL 78 HA VAL 78 -1.399 -2.876 1.749 613 HB VAL 78 HB VAL 78 -4.300 -2.310 2.297 614 1HG1 VAL 78 1HG1 VAL 78 -2.237 -1.373 0.439 615 2HG1 VAL 78 2HG1 VAL 78 -3.690 -0.569 1.025 616 3HG1 VAL 78 3HG1 VAL 78 -3.797 -1.715 -0.306 617 1HG2 VAL 78 1HG2 VAL 78 -4.991 -3.736 0.541 618 2HG2 VAL 78 2HG2 VAL 78 -3.958 -4.708 1.585 619 3HG2 VAL 78 3HG2 VAL 78 -3.329 -4.076 0.062 620 H ILE 79 H ILE 79 -1.060 -0.665 2.079 621 HA ILE 79 HA ILE 79 -1.777 0.352 4.748 622 HB ILE 79 HB ILE 79 0.844 0.923 3.379 623 1HG1 ILE 79 2HG1 ILE 79 1.107 -0.644 5.778 624 2HG1 ILE 79 1HG1 ILE 79 0.058 -1.482 4.641 625 1HG2 ILE 79 1HG2 ILE 79 -0.499 2.142 5.526 626 2HG2 ILE 79 2HG2 ILE 79 1.153 2.431 4.974 627 3HG2 ILE 79 3HG2 ILE 79 0.839 1.224 6.220 628 1HD1 ILE 79 1HD1 ILE 79 1.741 -1.588 3.012 629 2HD1 ILE 79 2HD1 ILE 79 2.526 -2.005 4.534 630 3HD1 ILE 79 3HD1 ILE 79 2.736 -0.396 3.846 631 H ILE 80 H ILE 80 -3.099 2.026 4.487 632 HA ILE 80 HA ILE 80 -2.863 3.647 2.064 633 HB ILE 80 HB ILE 80 -5.106 3.808 4.068 634 1HG1 ILE 80 2HG1 ILE 80 -4.910 1.475 3.368 635 2HG1 ILE 80 1HG1 ILE 80 -6.322 2.219 2.630 636 1HG2 ILE 80 1HG2 ILE 80 -6.021 5.240 2.657 637 2HG2 ILE 80 2HG2 ILE 80 -5.737 4.179 1.283 638 3HG2 ILE 80 3HG2 ILE 80 -4.478 5.293 1.814 639 1HD1 ILE 80 1HD1 ILE 80 -3.790 1.316 1.379 640 2HD1 ILE 80 2HD1 ILE 80 -4.671 2.658 0.651 641 3HD1 ILE 80 3HD1 ILE 80 -5.458 1.091 0.850 642 H MET 81 H MET 81 -2.609 5.840 2.072 643 HA MET 81 HA MET 81 -1.307 6.937 4.413 644 1HB MET 81 2HB MET 81 -0.773 8.828 2.924 645 2HB MET 81 1HB MET 81 -0.287 7.280 2.243 646 1HG MET 81 2HG MET 81 -2.155 7.275 0.752 647 2HG MET 81 1HG MET 81 -2.838 8.701 1.529 648 1HE MET 81 1HE MET 81 -2.403 11.190 0.270 649 2HE MET 81 2HE MET 81 -0.697 11.596 0.457 650 3HE MET 81 3HE MET 81 -1.577 10.850 1.791 651 H THR 82 H THR 82 -4.210 7.577 2.505 652 HA THR 82 HA THR 82 -5.097 9.450 4.605 653 HB THR 82 HB THR 82 -6.026 9.589 1.742 654 HG1 THR 82 1HG THR 82 -4.002 11.300 2.626 655 1HG2 THR 82 1HG2 THR 82 -6.782 10.999 3.993 656 2HG2 THR 82 2HG2 THR 82 -7.077 11.455 2.318 657 3HG2 THR 82 3HG2 THR 82 -5.667 12.080 3.164 658 H ALA 83 H ALA 83 -7.564 9.611 4.695 659 HA ALA 83 HA ALA 83 -8.870 7.111 3.891 660 1HB ALA 83 1HB ALA 83 -9.592 6.526 5.993 661 2HB ALA 83 2HB ALA 83 -9.382 8.155 6.637 662 3HB ALA 83 3HB ALA 83 -7.973 7.140 6.327 663 H HIS 84 H HIS 84 -9.102 10.466 4.786 664 HA HIS 84 HA HIS 84 -10.834 11.964 4.856 665 1HB HIS 84 2HB HIS 84 -12.070 11.888 2.523 666 2HB HIS 84 1HB HIS 84 -10.388 12.372 2.647 667 HD1 HIS 84 1HD HIS 84 -8.634 10.809 1.643 668 HD2 HIS 84 2HD HIS 84 -12.524 9.423 1.271 669 HE1 HIS 84 1HE HIS 84 -8.508 8.907 0.021 670 HE2 HIS 84 2HE HIS 84 -10.900 8.197 -0.328 671 H SER 85 H SER 85 -13.382 11.899 3.560 672 HA SER 85 HA SER 85 -14.841 10.439 5.567 673 1HB SER 85 2HB SER 85 -15.474 12.736 4.902 674 2HB SER 85 1HB SER 85 -15.880 12.140 3.293 675 HG SER 85 HG SER 85 -17.421 12.191 5.432 676 H ASP 86 H ASP 86 -13.540 8.626 3.871 677 HA ASP 86 HA ASP 86 -15.872 7.326 2.650 678 1HB ASP 86 2HB ASP 86 -13.138 7.661 1.427 679 2HB ASP 86 1HB ASP 86 -14.249 6.402 0.908 680 H LEU 87 H LEU 87 -14.096 7.132 5.172 681 HA LEU 87 HA LEU 87 -12.560 4.898 5.304 682 1HB LEU 87 2HB LEU 87 -14.048 6.500 7.152 683 2HB LEU 87 1HB LEU 87 -14.175 4.815 7.621 684 HG LEU 87 HG LEU 87 -11.571 6.265 7.145 685 1HD1 LEU 87 1HD1 LEU 87 -12.963 5.578 9.729 686 2HD1 LEU 87 2HD1 LEU 87 -12.728 7.194 9.066 687 3HD1 LEU 87 3HD1 LEU 87 -11.336 6.242 9.581 688 1HD2 LEU 87 1HD2 LEU 87 -10.853 4.144 6.953 689 2HD2 LEU 87 2HD2 LEU 87 -12.305 3.474 7.699 690 3HD2 LEU 87 3HD2 LEU 87 -11.012 4.126 8.708 691 H ASP 88 H ASP 88 -15.946 4.965 4.689 692 HA ASP 88 HA ASP 88 -16.870 2.557 5.602 693 1HB ASP 88 2HB ASP 88 -17.441 3.890 2.950 694 2HB ASP 88 1HB ASP 88 -18.373 2.542 3.598 695 H ALA 89 H ALA 89 -15.170 3.110 2.515 696 HA ALA 89 HA ALA 89 -15.108 0.357 1.818 697 1HB ALA 89 1HB ALA 89 -13.277 1.194 0.197 698 2HB ALA 89 2HB ALA 89 -13.740 2.800 0.764 699 3HB ALA 89 3HB ALA 89 -14.932 1.763 -0.019 700 H ALA 90 H ALA 90 -13.202 2.333 3.875 701 HA ALA 90 HA ALA 90 -10.748 0.950 3.772 702 1HB ALA 90 1HB ALA 90 -11.089 3.192 4.811 703 2HB ALA 90 2HB ALA 90 -10.200 2.059 5.829 704 3HB ALA 90 3HB ALA 90 -11.898 2.390 6.155 705 H VAL 91 H VAL 91 -13.735 0.380 5.516 706 HA VAL 91 HA VAL 91 -12.699 -1.500 7.340 707 HB VAL 91 HB VAL 91 -15.541 -1.592 6.394 708 1HG1 VAL 91 1HG1 VAL 91 -15.383 -3.245 7.931 709 2HG1 VAL 91 2HG1 VAL 91 -15.564 -1.908 9.069 710 3HG1 VAL 91 3HG1 VAL 91 -13.955 -2.539 8.697 711 1HG2 VAL 91 1HG2 VAL 91 -16.085 0.133 8.041 712 2HG2 VAL 91 2HG2 VAL 91 -14.996 0.769 6.810 713 3HG2 VAL 91 3HG2 VAL 91 -14.371 0.339 8.403 714 H SER 92 H SER 92 -14.179 -1.889 4.137 715 HA SER 92 HA SER 92 -14.221 -4.698 4.139 716 1HB SER 92 2HB SER 92 -13.784 -2.934 1.718 717 2HB SER 92 1HB SER 92 -14.439 -4.571 1.739 718 HG SER 92 HG SER 92 -16.029 -2.852 1.594 719 H ALA 93 H ALA 93 -11.641 -2.469 3.964 720 HA ALA 93 HA ALA 93 -9.768 -4.128 2.623 721 1HB ALA 93 1HB ALA 93 -9.082 -1.844 4.412 722 2HB ALA 93 2HB ALA 93 -9.755 -1.600 2.798 723 3HB ALA 93 3HB ALA 93 -8.214 -2.433 2.995 724 H TYR 94 H TYR 94 -10.113 -3.127 5.996 725 HA TYR 94 HA TYR 94 -8.046 -4.676 7.043 726 1HB TYR 94 2HB TYR 94 -10.557 -4.251 8.627 727 2HB TYR 94 1HB TYR 94 -8.886 -4.228 9.176 728 HD1 TYR 94 1HD TYR 94 -11.631 -2.224 8.705 729 HD2 TYR 94 2HD TYR 94 -7.464 -2.312 7.836 730 HE1 TYR 94 1HE TYR 94 -11.615 0.233 8.542 731 HE2 TYR 94 2HE TYR 94 -7.437 0.133 7.670 732 HH TYR 94 HH TYR 94 -10.360 2.067 8.265 733 H GLN 95 H GLN 95 -11.316 -5.507 6.239 734 HA GLN 95 HA GLN 95 -11.247 -8.067 7.530 735 1HB GLN 95 2HB GLN 95 -13.410 -8.450 6.519 736 2HB GLN 95 1HB GLN 95 -13.344 -6.818 7.173 737 1HG GLN 95 2HG GLN 95 -14.341 -6.429 5.160 738 2HG GLN 95 1HG GLN 95 -12.648 -6.189 4.752 739 1HE2 GLN 95 1HE2 GLN 95 -13.848 -6.592 2.600 740 2HE2 GLN 95 2HE2 GLN 95 -13.819 -8.227 2.037 741 H GLN 96 H GLN 96 -10.510 -6.859 4.320 742 HA GLN 96 HA GLN 96 -10.332 -9.510 3.223 743 1HB GLN 96 2HB GLN 96 -9.582 -8.429 1.158 744 2HB GLN 96 1HB GLN 96 -11.070 -7.714 1.758 745 1HG GLN 96 2HG GLN 96 -9.935 -5.834 1.215 746 2HG GLN 96 1HG GLN 96 -9.398 -6.028 2.876 747 1HE2 GLN 96 1HE2 GLN 96 -7.771 -4.530 1.639 748 2HE2 GLN 96 2HE2 GLN 96 -6.350 -5.337 1.077 749 H GLY 97 H GLY 97 -8.261 -7.383 4.931 750 1HA GLY 97 2HA GLY 97 -6.278 -8.762 5.741 751 2HA GLY 97 1HA GLY 97 -5.911 -8.928 4.035 752 H ALA 98 H ALA 98 -7.128 -5.832 4.552 753 HA ALA 98 HA ALA 98 -4.716 -4.577 3.922 754 1HB ALA 98 1HB ALA 98 -6.595 -2.932 5.461 755 2HB ALA 98 2HB ALA 98 -7.281 -3.748 4.058 756 3HB ALA 98 3HB ALA 98 -5.901 -2.675 3.861 757 H PHE 99 H PHE 99 -3.430 -3.081 5.224 758 HA PHE 99 HA PHE 99 -2.806 -4.246 7.781 759 1HB PHE 99 2HB PHE 99 -1.057 -3.559 6.102 760 2HB PHE 99 1HB PHE 99 -1.463 -1.886 6.466 761 HD1 PHE 99 1HD PHE 99 -1.095 -4.829 8.711 762 HD2 PHE 99 2HD PHE 99 0.362 -0.995 7.571 763 HE1 PHE 99 1HE PHE 99 0.476 -4.868 10.604 764 HE2 PHE 99 2HE PHE 99 1.940 -1.027 9.458 765 HZ PHE 99 HZ PHE 99 1.998 -2.965 10.982 766 H ASP 100 H ASP 100 -3.577 -0.959 6.617 767 HA ASP 100 HA ASP 100 -5.361 -0.322 8.649 768 1HB ASP 100 2HB ASP 100 -2.915 -0.524 9.804 769 2HB ASP 100 1HB ASP 100 -2.903 1.175 9.343 770 H TYR 101 H TYR 101 -4.808 2.376 9.100 771 HA TYR 101 HA TYR 101 -4.534 3.565 6.435 772 1HB TYR 101 2HB TYR 101 -6.959 3.530 8.140 773 2HB TYR 101 1HB TYR 101 -6.547 5.086 7.426 774 HD1 TYR 101 1HD TYR 101 -7.434 1.583 6.658 775 HD2 TYR 101 2HD TYR 101 -6.870 5.510 5.133 776 HE1 TYR 101 1HE TYR 101 -8.504 0.911 4.547 777 HE2 TYR 101 2HE TYR 101 -7.927 4.845 3.028 778 HH TYR 101 HH TYR 101 -9.341 1.639 2.590 779 H LEU 102 H LEU 102 -3.981 5.807 6.463 780 HA LEU 102 HA LEU 102 -2.768 6.628 9.001 781 1HB LEU 102 2HB LEU 102 -1.967 6.792 6.223 782 2HB LEU 102 1HB LEU 102 -1.878 8.354 7.011 783 HG LEU 102 HG LEU 102 -0.406 7.439 8.722 784 1HD1 LEU 102 1HD1 LEU 102 -0.099 4.894 7.243 785 2HD1 LEU 102 2HD1 LEU 102 -1.500 5.062 8.300 786 3HD1 LEU 102 3HD1 LEU 102 0.128 5.242 8.956 787 1HD2 LEU 102 1HD2 LEU 102 0.836 6.425 6.241 788 2HD2 LEU 102 2HD2 LEU 102 1.460 7.549 7.448 789 3HD2 LEU 102 3HD2 LEU 102 0.293 8.103 6.242 790 HA PRO 103 HA PRO 103 -6.061 9.639 9.250 791 1HB PRO 103 2HB PRO 103 -5.053 10.990 11.414 792 2HB PRO 103 1HB PRO 103 -5.991 9.498 11.524 793 1HG PRO 103 2HG PRO 103 -3.043 9.902 11.703 794 2HG PRO 103 1HG PRO 103 -4.079 8.773 12.589 795 1HD PRO 103 2HD PRO 103 -2.513 8.035 10.488 796 2HD PRO 103 1HD PRO 103 -4.027 7.214 10.911 797 H LYS 104 H LYS 104 -3.110 11.243 10.385 798 HA LYS 104 HA LYS 104 -3.446 13.197 8.217 799 1HB LYS 104 2HB LYS 104 -3.065 13.528 11.092 800 2HB LYS 104 1HB LYS 104 -1.936 14.481 10.138 801 1HG LYS 104 2HG LYS 104 -3.558 15.821 9.293 802 2HG LYS 104 1HG LYS 104 -4.783 14.552 9.331 803 1HD LYS 104 2HD LYS 104 -5.490 16.014 10.992 804 2HD LYS 104 1HD LYS 104 -4.610 14.782 11.899 805 1HE LYS 104 2HE LYS 104 -3.111 17.155 10.921 806 2HE LYS 104 1HE LYS 104 -4.197 17.366 12.294 807 1HZ LYS 104 1HZ LYS 104 -2.504 15.052 12.513 808 2HZ LYS 104 2HZ LYS 104 -2.813 16.276 13.640 809 3HZ LYS 104 3HZ LYS 104 -1.640 16.506 12.443 810 HA PRO 105 HA PRO 105 1.393 12.868 8.852 811 1HB PRO 105 2HB PRO 105 2.138 10.538 10.164 812 2HB PRO 105 1HB PRO 105 2.106 12.150 10.885 813 1HG PRO 105 2HG PRO 105 0.078 9.962 11.039 814 2HG PRO 105 1HG PRO 105 0.620 11.083 12.302 815 1HD PRO 105 2HD PRO 105 -1.712 11.439 11.052 816 2HD PRO 105 1HD PRO 105 -0.697 12.823 11.496 817 H PHE 106 H PHE 106 2.919 11.534 7.671 818 HA PHE 106 HA PHE 106 2.233 9.020 6.590 819 1HB PHE 106 2HB PHE 106 0.595 10.185 5.269 820 2HB PHE 106 1HB PHE 106 1.766 11.413 4.798 821 HD1 PHE 106 1HD PHE 106 1.523 7.682 4.694 822 HD2 PHE 106 2HD PHE 106 2.502 11.273 2.634 823 HE1 PHE 106 1HE PHE 106 2.089 6.373 2.690 824 HE2 PHE 106 2HE PHE 106 3.070 9.972 0.625 825 HZ PHE 106 HZ PHE 106 2.865 7.518 0.651 826 H ASP 107 H ASP 107 3.683 11.271 4.360 827 HA ASP 107 HA ASP 107 5.761 11.179 3.407 828 1HB ASP 107 2HB ASP 107 7.372 12.232 4.725 829 2HB ASP 107 1HB ASP 107 5.864 12.718 5.488 830 H ILE 108 H ILE 108 8.201 10.253 3.997 831 HA ILE 108 HA ILE 108 7.882 7.458 3.709 832 HB ILE 108 HB ILE 108 10.003 9.314 3.361 833 1HG1 ILE 108 2HG1 ILE 108 10.856 7.513 1.903 834 2HG1 ILE 108 1HG1 ILE 108 9.666 6.418 2.596 835 1HG2 ILE 108 1HG2 ILE 108 11.048 8.568 5.359 836 2HG2 ILE 108 2HG2 ILE 108 11.877 7.776 4.019 837 3HG2 ILE 108 3HG2 ILE 108 10.700 6.882 4.979 838 1HD1 ILE 108 1HD1 ILE 108 7.892 7.476 1.560 839 2HD1 ILE 108 2HD1 ILE 108 9.163 7.525 0.336 840 3HD1 ILE 108 3HD1 ILE 108 8.805 8.962 1.294 841 H ASP 109 H ASP 109 8.901 9.460 6.371 842 HA ASP 109 HA ASP 109 9.858 7.561 8.122 843 1HB ASP 109 2HB ASP 109 8.296 10.082 8.687 844 2HB ASP 109 1HB ASP 109 9.016 9.099 9.957 845 H GLU 110 H GLU 110 6.467 8.735 8.078 846 HA GLU 110 HA GLU 110 5.618 6.641 9.803 847 1HB GLU 110 2HB GLU 110 4.104 8.707 8.228 848 2HB GLU 110 1HB GLU 110 3.295 7.482 9.186 849 1HG GLU 110 2HG GLU 110 5.367 8.922 10.643 850 2HG GLU 110 1HG GLU 110 4.060 9.951 10.056 851 H ALA 111 H ALA 111 5.699 7.111 6.355 852 HA ALA 111 HA ALA 111 3.924 4.993 5.702 853 1HB ALA 111 1HB ALA 111 4.447 6.826 4.144 854 2HB ALA 111 2HB ALA 111 4.723 5.238 3.431 855 3HB ALA 111 3HB ALA 111 6.090 6.203 3.987 856 H VAL 112 H VAL 112 7.478 5.202 5.346 857 HA VAL 112 HA VAL 112 7.889 2.484 4.855 858 HB VAL 112 HB VAL 112 9.790 4.354 6.268 859 1HG1 VAL 112 1HG1 VAL 112 11.001 2.367 4.574 860 2HG1 VAL 112 2HG1 VAL 112 9.955 1.603 5.774 861 3HG1 VAL 112 3HG1 VAL 112 11.254 2.680 6.292 862 1HG2 VAL 112 1HG2 VAL 112 10.681 4.199 3.710 863 2HG2 VAL 112 2HG2 VAL 112 9.657 5.493 4.329 864 3HG2 VAL 112 3HG2 VAL 112 8.935 4.139 3.462 865 H ALA 113 H ALA 113 7.413 4.240 7.799 866 HA ALA 113 HA ALA 113 8.320 2.278 9.613 867 1HB ALA 113 1HB ALA 113 6.156 4.327 10.067 868 2HB ALA 113 2HB ALA 113 7.883 4.659 10.192 869 3HB ALA 113 3HB ALA 113 7.126 3.515 11.296 870 H LEU 114 H LEU 114 5.122 3.083 8.351 871 HA LEU 114 HA LEU 114 3.795 0.944 9.648 872 1HB LEU 114 2HB LEU 114 2.867 3.178 8.725 873 2HB LEU 114 1HB LEU 114 2.757 2.321 7.200 874 HG LEU 114 HG LEU 114 1.277 0.646 8.273 875 1HD1 LEU 114 1HD1 LEU 114 1.935 2.264 10.661 876 2HD1 LEU 114 2HD1 LEU 114 1.619 0.536 10.513 877 3HD1 LEU 114 3HD1 LEU 114 0.277 1.680 10.515 878 1HD2 LEU 114 1HD2 LEU 114 -0.119 3.126 8.964 879 2HD2 LEU 114 2HD2 LEU 114 -0.530 1.880 7.785 880 3HD2 LEU 114 3HD2 LEU 114 0.635 3.135 7.370 881 H VAL 115 H VAL 115 5.620 1.142 6.717 882 HA VAL 115 HA VAL 115 4.326 -1.124 5.511 883 HB VAL 115 HB VAL 115 5.500 0.724 4.207 884 1HG1 VAL 115 1HG1 VAL 115 7.835 0.547 3.794 885 2HG1 VAL 115 2HG1 VAL 115 7.951 -0.940 4.734 886 3HG1 VAL 115 3HG1 VAL 115 7.615 0.588 5.537 887 1HG2 VAL 115 1HG2 VAL 115 4.962 -0.790 2.660 888 2HG2 VAL 115 2HG2 VAL 115 5.361 -2.135 3.727 889 3HG2 VAL 115 3HG2 VAL 115 6.628 -1.354 2.781 890 H GLU 116 H GLU 116 7.447 -0.566 7.097 891 HA GLU 116 HA GLU 116 8.358 -3.234 6.865 892 1HB GLU 116 2HB GLU 116 9.103 -0.975 8.720 893 2HB GLU 116 1HB GLU 116 9.906 -2.540 8.768 894 1HG GLU 116 2HG GLU 116 10.505 -2.234 6.375 895 2HG GLU 116 1HG GLU 116 9.829 -0.608 6.464 896 H ARG 117 H ARG 117 6.690 -1.486 9.468 897 HA ARG 117 HA ARG 117 6.674 -3.574 11.337 898 1HB ARG 117 2HB ARG 117 4.755 -1.277 10.936 899 2HB ARG 117 1HB ARG 117 4.691 -2.368 12.314 900 1HG ARG 117 2HG ARG 117 7.313 -1.567 12.308 901 2HG ARG 117 1HG ARG 117 6.456 -0.114 11.796 902 1HD ARG 117 2HD ARG 117 5.901 0.273 13.905 903 2HD ARG 117 1HD ARG 117 4.972 -1.222 13.917 904 HE ARG 117 HE ARG 117 7.043 -2.344 14.650 905 1HH1 ARG 117 1HH1 ARG 117 6.754 1.112 15.131 906 2HH1 ARG 117 2HH1 ARG 117 7.892 1.143 16.432 907 1HH2 ARG 117 1HH2 ARG 117 8.535 -2.287 16.360 908 2HH2 ARG 117 2HH2 ARG 117 8.901 -0.780 17.130 909 H ALA 118 H ALA 118 4.830 -3.051 8.476 910 HA ALA 118 HA ALA 118 2.632 -4.735 9.109 911 1HB ALA 118 1HB ALA 118 2.157 -3.238 7.406 912 2HB ALA 118 2HB ALA 118 2.402 -4.747 6.531 913 3HB ALA 118 3HB ALA 118 3.684 -3.538 6.581 914 H ILE 119 H ILE 119 5.584 -5.197 7.188 915 HA ILE 119 HA ILE 119 5.068 -7.913 6.581 916 HB ILE 119 HB ILE 119 7.778 -6.603 6.689 917 1HG1 ILE 119 2HG1 ILE 119 6.331 -6.737 4.113 918 2HG1 ILE 119 1HG1 ILE 119 5.725 -5.556 5.271 919 1HG2 ILE 119 1HG2 ILE 119 8.231 -8.200 4.815 920 2HG2 ILE 119 2HG2 ILE 119 6.671 -8.949 5.161 921 3HG2 ILE 119 3HG2 ILE 119 7.944 -8.959 6.381 922 1HD1 ILE 119 1HD1 ILE 119 8.612 -5.736 4.478 923 2HD1 ILE 119 2HD1 ILE 119 7.797 -4.432 5.344 924 3HD1 ILE 119 3HD1 ILE 119 7.437 -4.721 3.643 925 H SER 120 H SER 120 6.600 -6.266 9.216 926 HA SER 120 HA SER 120 7.847 -8.566 10.347 927 1HB SER 120 2HB SER 120 8.276 -5.943 10.668 928 2HB SER 120 1HB SER 120 7.228 -6.218 12.059 929 HG SER 120 HG SER 120 8.833 -7.162 13.017 930 H HIS 121 H HIS 121 5.037 -6.593 11.326 931 HA HIS 121 HA HIS 121 4.240 -8.207 13.460 932 1HB HIS 121 2HB HIS 121 2.875 -6.173 11.760 933 2HB HIS 121 1HB HIS 121 1.890 -7.175 12.817 934 HD1 HIS 121 1HD HIS 121 4.275 -4.340 12.836 935 HD2 HIS 121 2HD HIS 121 2.332 -6.766 15.594 936 HE1 HIS 121 1HE HIS 121 4.547 -3.187 15.056 937 HE2 HIS 121 2HE HIS 121 3.291 -4.630 16.694 938 H TYR 122 H TYR 122 3.767 -8.566 10.054 939 HA TYR 122 HA TYR 122 1.629 -10.432 10.190 940 1HB TYR 122 2HB TYR 122 2.423 -9.001 8.179 941 2HB TYR 122 1HB TYR 122 3.581 -10.300 7.908 942 HD1 TYR 122 1HD TYR 122 -0.080 -9.907 8.582 943 HD2 TYR 122 2HD TYR 122 2.962 -11.937 6.408 944 HE1 TYR 122 1HE TYR 122 -1.802 -11.175 7.365 945 HE2 TYR 122 2HE TYR 122 1.250 -13.209 5.187 946 HH TYR 122 HH TYR 122 -1.163 -13.921 5.605 947 H GLN 123 H GLN 123 5.064 -10.890 9.338 948 HA GLN 123 HA GLN 123 6.441 -12.695 9.497 949 1HB GLN 123 2HB GLN 123 5.663 -12.188 11.966 950 2HB GLN 123 1HB GLN 123 4.855 -13.741 11.805 951 1HG GLN 123 2HG GLN 123 6.805 -14.911 11.757 952 2HG GLN 123 1HG GLN 123 7.712 -13.585 11.029 953 1HE2 GLN 123 1HE2 GLN 123 8.224 -11.757 12.415 954 2HE2 GLN 123 2HE2 GLN 123 8.505 -12.032 14.097 955 H GLU 124 H GLU 124 6.417 -15.222 9.783 956 HA GLU 124 HA GLU 124 3.987 -16.338 8.573 957 1HB GLU 124 2HB GLU 124 5.650 -15.835 6.787 958 2HB GLU 124 1HB GLU 124 6.784 -16.918 7.583 959 1HG GLU 124 2HG GLU 124 5.812 -18.742 6.747 960 2HG GLU 124 1HG GLU 124 4.187 -18.133 7.056 Start of MODEL 6 1 1H MET 1 1HT MET 1 11.747 -17.526 0.301 2 2H MET 1 2HT MET 1 12.464 -18.773 1.237 3 3H MET 1 3HT MET 1 12.210 -17.220 1.924 4 HA MET 1 HA MET 1 10.229 -19.256 1.186 5 1HB MET 1 2HB MET 1 11.388 -18.086 3.646 6 2HB MET 1 1HB MET 1 9.651 -18.359 3.678 7 1HG MET 1 2HG MET 1 9.862 -20.627 3.582 8 2HG MET 1 1HG MET 1 11.399 -20.559 2.723 9 1HE MET 1 1HE MET 1 11.319 -22.728 5.018 10 2HE MET 1 2HE MET 1 12.906 -22.336 5.679 11 3HE MET 1 3HE MET 1 12.630 -22.247 3.939 12 H GLN 2 H GLN 2 10.723 -15.866 2.079 13 HA GLN 2 HA GLN 2 8.000 -15.298 1.123 14 1HB GLN 2 2HB GLN 2 8.985 -14.774 3.626 15 2HB GLN 2 1HB GLN 2 9.260 -13.245 2.803 16 1HG GLN 2 2HG GLN 2 7.170 -12.859 3.573 17 2HG GLN 2 1HG GLN 2 6.754 -13.629 2.042 18 1HE2 GLN 2 1HE2 GLN 2 6.408 -15.996 2.138 19 2HE2 GLN 2 2HE2 GLN 2 5.626 -16.644 3.535 20 H ARG 3 H ARG 3 11.353 -14.401 1.055 21 HA ARG 3 HA ARG 3 12.598 -13.245 -0.448 22 1HB ARG 3 2HB ARG 3 11.319 -14.335 -2.191 23 2HB ARG 3 1HB ARG 3 10.028 -13.156 -2.030 24 1HG ARG 3 2HG ARG 3 11.269 -11.468 -3.029 25 2HG ARG 3 1HG ARG 3 12.801 -12.298 -2.746 26 1HD ARG 3 2HD ARG 3 12.198 -14.000 -4.371 27 2HD ARG 3 1HD ARG 3 10.632 -13.235 -4.619 28 HE ARG 3 HE ARG 3 11.933 -11.278 -5.471 29 1HH1 ARG 3 1HH1 ARG 3 13.308 -14.493 -5.576 30 2HH1 ARG 3 2HH1 ARG 3 14.327 -14.142 -6.927 31 1HH2 ARG 3 1HH2 ARG 3 13.273 -10.829 -7.251 32 2HH2 ARG 3 2HH2 ARG 3 14.307 -12.068 -7.878 33 H GLY 4 H GLY 4 9.950 -11.928 1.158 34 1HA GLY 4 2HA GLY 4 9.362 -9.801 1.763 35 2HA GLY 4 1HA GLY 4 11.081 -9.474 1.644 36 H ILE 5 H ILE 5 8.129 -9.683 -0.333 37 HA ILE 5 HA ILE 5 9.314 -7.717 -2.169 38 HB ILE 5 HB ILE 5 6.783 -9.268 -2.657 39 1HG1 ILE 5 2HG1 ILE 5 8.417 -10.585 -4.233 40 2HG1 ILE 5 1HG1 ILE 5 9.639 -10.049 -3.083 41 1HG2 ILE 5 1HG2 ILE 5 8.225 -7.212 -4.056 42 2HG2 ILE 5 2HG2 ILE 5 6.650 -7.919 -4.416 43 3HG2 ILE 5 3HG2 ILE 5 8.118 -8.669 -5.042 44 1HD1 ILE 5 1HD1 ILE 5 8.045 -12.298 -2.883 45 2HD1 ILE 5 2HD1 ILE 5 7.335 -11.155 -1.742 46 3HD1 ILE 5 3HD1 ILE 5 9.039 -11.587 -1.613 47 H VAL 6 H VAL 6 8.801 -5.686 -1.711 48 HA VAL 6 HA VAL 6 6.144 -5.132 -0.585 49 HB VAL 6 HB VAL 6 7.937 -4.249 0.815 50 1HG1 VAL 6 1HG1 VAL 6 9.436 -2.492 -0.074 51 2HG1 VAL 6 2HG1 VAL 6 8.834 -2.835 -1.684 52 3HG1 VAL 6 3HG1 VAL 6 9.713 -4.073 -0.791 53 1HG2 VAL 6 1HG2 VAL 6 6.827 -2.343 1.238 54 2HG2 VAL 6 2HG2 VAL 6 5.763 -2.871 -0.068 55 3HG2 VAL 6 3HG2 VAL 6 7.066 -1.727 -0.396 56 H TRP 7 H TRP 7 4.669 -4.181 -1.835 57 HA TRP 7 HA TRP 7 5.621 -2.826 -4.270 58 1HB TRP 7 2HB TRP 7 3.241 -4.590 -3.811 59 2HB TRP 7 1HB TRP 7 3.224 -3.392 -5.105 60 HD1 TRP 7 HD1 TRP 7 6.661 -4.650 -4.740 61 HE1 TRP 7 1HE TRP 7 7.199 -6.398 -6.540 62 HE3 TRP 7 3HE TRP 7 1.915 -5.584 -6.400 63 HZ2 TRP 7 2HZ TRP 7 5.795 -7.976 -8.415 64 HZ3 TRP 7 3HZ TRP 7 1.601 -7.227 -8.203 65 HH2 TRP 7 HH2 TRP 7 3.501 -8.398 -9.187 66 H VAL 8 H VAL 8 5.051 -0.790 -4.589 67 HA VAL 8 HA VAL 8 3.142 0.414 -2.693 68 HB VAL 8 HB VAL 8 5.551 1.706 -3.976 69 1HG1 VAL 8 1HG1 VAL 8 4.520 3.006 -1.622 70 2HG1 VAL 8 2HG1 VAL 8 3.284 2.889 -2.871 71 3HG1 VAL 8 3HG1 VAL 8 4.828 3.663 -3.228 72 1HG2 VAL 8 1HG2 VAL 8 6.508 1.643 -1.688 73 2HG2 VAL 8 2HG2 VAL 8 6.286 0.045 -2.401 74 3HG2 VAL 8 3HG2 VAL 8 5.147 0.638 -1.187 75 H VAL 9 H VAL 9 1.692 1.971 -3.463 76 HA VAL 9 HA VAL 9 1.636 2.360 -6.382 77 HB VAL 9 HB VAL 9 -1.025 2.481 -5.254 78 1HG1 VAL 9 1HG1 VAL 9 0.391 1.348 -7.543 79 2HG1 VAL 9 2HG1 VAL 9 -1.177 2.125 -7.462 80 3HG1 VAL 9 3HG1 VAL 9 -1.021 0.420 -7.054 81 1HG2 VAL 9 1HG2 VAL 9 -1.333 0.120 -4.728 82 2HG2 VAL 9 2HG2 VAL 9 -0.155 0.848 -3.634 83 3HG2 VAL 9 3HG2 VAL 9 0.389 -0.170 -4.966 84 H ASP 10 H ASP 10 1.846 4.440 -6.869 85 HA ASP 10 HA ASP 10 0.302 6.490 -5.589 86 1HB ASP 10 2HB ASP 10 2.627 5.917 -4.271 87 2HB ASP 10 1HB ASP 10 3.158 7.181 -5.375 88 H ASP 11 H ASP 11 1.978 8.670 -6.328 89 HA ASP 11 HA ASP 11 1.308 8.891 -9.064 90 1HB ASP 11 2HB ASP 11 1.906 10.669 -7.064 91 2HB ASP 11 1HB ASP 11 3.321 10.790 -8.105 92 H ASP 12 H ASP 12 3.770 7.128 -7.780 93 HA ASP 12 HA ASP 12 5.626 6.150 -8.658 94 1HB ASP 12 2HB ASP 12 3.966 6.370 -10.764 95 2HB ASP 12 1HB ASP 12 5.282 7.387 -11.336 96 H SER 13 H SER 13 7.370 7.157 -10.715 97 HA SER 13 HA SER 13 9.362 8.274 -10.618 98 1HB SER 13 2HB SER 13 7.513 9.533 -11.924 99 2HB SER 13 1HB SER 13 7.676 10.736 -10.649 100 HG SER 13 HG SER 13 9.168 10.521 -12.761 101 H SER 14 H SER 14 7.764 10.941 -9.019 102 HA SER 14 HA SER 14 9.840 11.381 -7.215 103 1HB SER 14 2HB SER 14 7.849 12.914 -7.946 104 2HB SER 14 1HB SER 14 7.035 12.206 -6.550 105 HG SER 14 HG SER 14 8.742 14.196 -6.552 106 H ILE 15 H ILE 15 6.632 9.951 -6.559 107 HA ILE 15 HA ILE 15 7.211 9.279 -3.886 108 HB ILE 15 HB ILE 15 5.220 7.850 -5.637 109 1HG1 ILE 15 2HG1 ILE 15 4.867 10.259 -5.862 110 2HG1 ILE 15 1HG1 ILE 15 3.575 9.538 -4.911 111 1HG2 ILE 15 1HG2 ILE 15 5.924 7.693 -2.870 112 2HG2 ILE 15 2HG2 ILE 15 4.746 6.744 -3.777 113 3HG2 ILE 15 3HG2 ILE 15 4.262 8.264 -3.024 114 1HD1 ILE 15 1HD1 ILE 15 5.924 10.722 -3.518 115 2HD1 ILE 15 2HD1 ILE 15 4.255 10.552 -2.973 116 3HD1 ILE 15 3HD1 ILE 15 4.673 11.775 -4.173 117 H ARG 16 H ARG 16 7.950 7.743 -6.881 118 HA ARG 16 HA ARG 16 8.413 5.138 -5.799 119 1HB ARG 16 2HB ARG 16 7.840 5.387 -8.142 120 2HB ARG 16 1HB ARG 16 9.260 6.386 -8.415 121 1HG ARG 16 2HG ARG 16 10.637 4.381 -7.704 122 2HG ARG 16 1HG ARG 16 9.148 3.442 -7.823 123 1HD ARG 16 2HD ARG 16 9.448 3.244 -10.014 124 2HD ARG 16 1HD ARG 16 9.398 4.999 -10.184 125 HE ARG 16 HE ARG 16 11.945 3.952 -9.327 126 1HH1 ARG 16 1HH1 ARG 16 9.953 4.798 -12.060 127 2HH1 ARG 16 2HH1 ARG 16 11.294 5.017 -13.133 128 1HH2 ARG 16 1HH2 ARG 16 13.718 4.231 -10.734 129 2HH2 ARG 16 2HH2 ARG 16 13.439 4.695 -12.379 130 H TRP 17 H TRP 17 10.591 7.714 -6.962 131 HA TRP 17 HA TRP 17 12.988 6.465 -6.314 132 1HB TRP 17 2HB TRP 17 12.847 8.493 -7.701 133 2HB TRP 17 1HB TRP 17 12.414 9.428 -6.272 134 HD1 TRP 17 HD1 TRP 17 15.387 7.523 -7.795 135 HE1 TRP 17 1HE TRP 17 17.549 8.385 -6.697 136 HE3 TRP 17 3HE TRP 17 13.334 10.587 -4.257 137 HZ2 TRP 17 2HZ TRP 17 18.287 10.131 -4.605 138 HZ3 TRP 17 3HZ TRP 17 14.835 11.817 -2.745 139 HH2 TRP 17 HH2 TRP 17 17.262 11.592 -2.917 140 H VAL 18 H VAL 18 10.897 8.499 -4.325 141 HA VAL 18 HA VAL 18 12.643 8.713 -2.131 142 HB VAL 18 HB VAL 18 9.639 8.801 -1.986 143 1HG1 VAL 18 1HG1 VAL 18 9.916 10.115 -0.048 144 2HG1 VAL 18 2HG1 VAL 18 11.638 10.341 -0.353 145 3HG1 VAL 18 3HG1 VAL 18 11.028 8.759 0.125 146 1HG2 VAL 18 1HG2 VAL 18 11.152 10.355 -3.670 147 2HG2 VAL 18 2HG2 VAL 18 11.018 11.360 -2.227 148 3HG2 VAL 18 3HG2 VAL 18 9.564 10.774 -3.033 149 H LEU 19 H LEU 19 9.944 6.538 -2.729 150 HA LEU 19 HA LEU 19 10.371 5.130 -0.284 151 1HB LEU 19 2HB LEU 19 8.240 5.433 -2.021 152 2HB LEU 19 1HB LEU 19 8.686 3.746 -2.184 153 HG LEU 19 HG LEU 19 8.381 3.376 0.189 154 1HD1 LEU 19 1HD1 LEU 19 7.994 6.351 0.273 155 2HD1 LEU 19 2HD1 LEU 19 9.093 5.353 1.223 156 3HD1 LEU 19 3HD1 LEU 19 7.357 5.297 1.533 157 1HD2 LEU 19 1HD2 LEU 19 6.097 3.321 0.167 158 2HD2 LEU 19 2HD2 LEU 19 6.408 3.609 -1.546 159 3HD2 LEU 19 3HD2 LEU 19 5.955 4.952 -0.496 160 H GLU 20 H GLU 20 11.333 4.637 -3.597 161 HA GLU 20 HA GLU 20 11.852 1.900 -3.404 162 1HB GLU 20 2HB GLU 20 13.314 2.192 -5.357 163 2HB GLU 20 1HB GLU 20 11.735 2.934 -5.547 164 1HG GLU 20 2HG GLU 20 12.867 4.675 -6.302 165 2HG GLU 20 1HG GLU 20 13.194 5.010 -4.605 166 H ARG 21 H ARG 21 14.253 4.552 -3.226 167 HA ARG 21 HA ARG 21 16.388 2.923 -2.445 168 1HB ARG 21 2HB ARG 21 15.847 5.851 -1.971 169 2HB ARG 21 1HB ARG 21 17.350 5.075 -1.490 170 1HG ARG 21 2HG ARG 21 16.688 4.489 -4.237 171 2HG ARG 21 1HG ARG 21 16.776 6.225 -3.944 172 1HD ARG 21 2HD ARG 21 18.904 4.214 -3.218 173 2HD ARG 21 1HD ARG 21 18.937 5.266 -4.633 174 HE ARG 21 HE ARG 21 18.629 6.791 -2.265 175 1HH1 ARG 21 1HH1 ARG 21 21.013 4.991 -4.069 176 2HH1 ARG 21 2HH1 ARG 21 22.348 5.916 -3.472 177 1HH2 ARG 21 1HH2 ARG 21 20.393 8.013 -1.476 178 2HH2 ARG 21 2HH2 ARG 21 21.998 7.629 -2.003 179 H ALA 22 H ALA 22 14.128 4.790 -0.412 180 HA ALA 22 HA ALA 22 15.313 4.122 2.036 181 1HB ALA 22 1HB ALA 22 13.337 5.811 1.293 182 2HB ALA 22 2HB ALA 22 13.700 5.384 2.965 183 3HB ALA 22 3HB ALA 22 12.410 4.547 2.098 184 H LEU 23 H LEU 23 12.934 2.420 0.128 185 HA LEU 23 HA LEU 23 12.444 0.528 2.248 186 1HB LEU 23 2HB LEU 23 11.024 1.270 -0.001 187 2HB LEU 23 1HB LEU 23 11.580 -0.350 -0.379 188 HG LEU 23 HG LEU 23 10.129 0.359 2.166 189 1HD1 LEU 23 1HD1 LEU 23 9.107 -0.406 -0.523 190 2HD1 LEU 23 2HD1 LEU 23 8.458 0.745 0.645 191 3HD1 LEU 23 3HD1 LEU 23 8.281 -0.987 0.921 192 1HD2 LEU 23 1HD2 LEU 23 11.196 -2.133 0.952 193 2HD2 LEU 23 2HD2 LEU 23 9.681 -2.234 1.851 194 3HD2 LEU 23 3HD2 LEU 23 11.144 -1.632 2.644 195 H ALA 24 H ALA 24 14.549 0.834 -0.465 196 HA ALA 24 HA ALA 24 15.274 -1.915 -0.638 197 1HB ALA 24 1HB ALA 24 17.282 0.127 -1.393 198 2HB ALA 24 2HB ALA 24 15.740 0.201 -2.247 199 3HB ALA 24 3HB ALA 24 16.703 -1.277 -2.289 200 H GLY 25 H GLY 25 16.271 0.880 1.227 201 1HA GLY 25 2HA GLY 25 18.617 -0.238 2.370 202 2HA GLY 25 1HA GLY 25 17.661 1.081 3.046 203 H ALA 26 H ALA 26 15.229 -0.675 2.909 204 HA ALA 26 HA ALA 26 15.474 -1.792 5.528 205 1HB ALA 26 1HB ALA 26 13.086 -2.516 5.110 206 2HB ALA 26 2HB ALA 26 13.201 -1.701 3.549 207 3HB ALA 26 3HB ALA 26 13.390 -0.781 5.043 208 H GLY 27 H GLY 27 16.040 -2.904 2.363 209 1HA GLY 27 2HA GLY 27 17.106 -4.944 1.895 210 2HA GLY 27 1HA GLY 27 16.477 -5.595 3.396 211 H LEU 28 H LEU 28 14.313 -3.999 1.100 212 HA LEU 28 HA LEU 28 13.433 -6.646 0.233 213 1HB LEU 28 2HB LEU 28 11.293 -4.682 0.737 214 2HB LEU 28 1HB LEU 28 11.291 -6.427 0.926 215 HG LEU 28 HG LEU 28 12.967 -5.781 2.901 216 1HD1 LEU 28 1HD1 LEU 28 11.392 -3.740 3.844 217 2HD1 LEU 28 2HD1 LEU 28 11.735 -3.320 2.171 218 3HD1 LEU 28 3HD1 LEU 28 13.059 -3.634 3.279 219 1HD2 LEU 28 1HD2 LEU 28 10.484 -5.472 4.095 220 2HD2 LEU 28 2HD2 LEU 28 11.361 -6.980 3.848 221 3HD2 LEU 28 3HD2 LEU 28 10.179 -6.443 2.653 222 H THR 29 H THR 29 11.823 -6.571 -1.561 223 HA THR 29 HA THR 29 12.842 -4.794 -3.618 224 HB THR 29 HB THR 29 10.876 -7.090 -3.732 225 HG1 THR 29 1HG THR 29 12.987 -7.765 -3.403 226 1HG2 THR 29 1HG2 THR 29 10.206 -6.166 -5.660 227 2HG2 THR 29 2HG2 THR 29 11.728 -6.813 -6.274 228 3HG2 THR 29 3HG2 THR 29 11.623 -5.124 -5.780 229 H CYS 30 H CYS 30 11.954 -2.903 -4.008 230 HA CYS 30 HA CYS 30 9.108 -2.519 -3.376 231 1HB CYS 30 2HB CYS 30 9.853 -0.041 -3.215 232 2HB CYS 30 1HB CYS 30 10.204 -1.135 -1.884 233 HG CYS 30 HG CYS 30 12.660 -1.260 -3.302 234 H THR 31 H THR 31 7.854 -2.320 -5.055 235 HA THR 31 HA THR 31 8.859 -0.871 -7.409 236 HB THR 31 HB THR 31 8.562 -3.440 -7.686 237 HG1 THR 31 1HG THR 31 7.145 -1.724 -9.448 238 1HG2 THR 31 1HG2 THR 31 6.064 -3.029 -6.696 239 2HG2 THR 31 2HG2 THR 31 6.560 -4.401 -7.685 240 3HG2 THR 31 3HG2 THR 31 5.782 -3.012 -8.436 241 H THR 32 H THR 32 7.551 0.750 -8.093 242 HA THR 32 HA THR 32 5.032 1.071 -6.647 243 HB THR 32 HB THR 32 5.240 3.489 -7.123 244 HG1 THR 32 1HG THR 32 7.366 2.595 -8.620 245 1HG2 THR 32 1HG2 THR 32 6.089 3.384 -5.068 246 2HG2 THR 32 2HG2 THR 32 7.655 3.559 -5.862 247 3HG2 THR 32 3HG2 THR 32 7.057 1.956 -5.444 248 H PHE 33 H PHE 33 3.323 2.284 -7.769 249 HA PHE 33 HA PHE 33 3.254 1.723 -10.640 250 1HB PHE 33 2HB PHE 33 1.060 0.999 -8.713 251 2HB PHE 33 1HB PHE 33 1.035 0.777 -10.446 252 HD1 PHE 33 1HD PHE 33 1.472 -1.345 -11.221 253 HD2 PHE 33 2HD PHE 33 3.233 -0.102 -7.560 254 HE1 PHE 33 1HE PHE 33 2.467 -3.566 -10.951 255 HE2 PHE 33 2HE PHE 33 4.247 -2.316 -7.288 256 HZ PHE 33 HZ PHE 33 3.845 -4.072 -8.990 257 H GLU 34 H GLU 34 1.112 2.651 -11.596 258 HA GLU 34 HA GLU 34 1.311 5.427 -11.419 259 1HB GLU 34 2HB GLU 34 -0.652 5.471 -12.915 260 2HB GLU 34 1HB GLU 34 0.589 4.341 -13.440 261 1HG GLU 34 2HG GLU 34 -1.340 3.133 -13.757 262 2HG GLU 34 1HG GLU 34 -0.814 2.585 -12.171 263 H ASN 35 H ASN 35 -1.069 3.301 -9.802 264 HA ASN 35 HA ASN 35 -1.695 5.364 -7.971 265 1HB ASN 35 2HB ASN 35 -3.016 5.677 -10.351 266 2HB ASN 35 1HB ASN 35 -4.198 4.818 -9.368 267 1HD2 ASN 35 1HD2 ASN 35 -4.293 5.736 -7.039 268 2HD2 ASN 35 2HD2 ASN 35 -4.417 7.458 -6.941 269 H GLY 36 H GLY 36 -3.308 2.626 -9.498 270 1HA GLY 36 2HA GLY 36 -3.175 1.045 -7.130 271 2HA GLY 36 1HA GLY 36 -4.777 1.744 -7.333 272 H ASN 37 H ASN 37 -5.029 1.620 -10.113 273 HA ASN 37 HA ASN 37 -5.866 -1.038 -10.462 274 1HB ASN 37 2HB ASN 37 -6.473 1.259 -11.714 275 2HB ASN 37 1HB ASN 37 -5.358 0.569 -12.891 276 1HD2 ASN 37 1HD2 ASN 37 -7.983 -0.613 -10.795 277 2HD2 ASN 37 2HD2 ASN 37 -8.788 -1.511 -12.033 278 H GLU 38 H GLU 38 -2.870 0.550 -11.076 279 HA GLU 38 HA GLU 38 -1.802 -1.200 -12.985 280 1HB GLU 38 2HB GLU 38 -0.926 1.020 -11.525 281 2HB GLU 38 1HB GLU 38 0.195 -0.267 -11.153 282 1HG GLU 38 2HG GLU 38 -0.533 0.469 -13.963 283 2HG GLU 38 1HG GLU 38 0.804 1.213 -13.088 284 H VAL 39 H VAL 39 -1.237 -1.190 -9.404 285 HA VAL 39 HA VAL 39 0.240 -3.555 -9.374 286 HB VAL 39 HB VAL 39 -1.652 -2.733 -7.173 287 1HG1 VAL 39 1HG1 VAL 39 -0.361 -4.042 -5.758 288 2HG1 VAL 39 2HG1 VAL 39 1.011 -4.061 -6.860 289 3HG1 VAL 39 3HG1 VAL 39 -0.427 -5.005 -7.227 290 1HG2 VAL 39 1HG2 VAL 39 1.221 -1.899 -7.440 291 2HG2 VAL 39 2HG2 VAL 39 0.022 -1.320 -6.292 292 3HG2 VAL 39 3HG2 VAL 39 -0.112 -0.891 -7.995 293 H LEU 40 H LEU 40 -3.231 -3.102 -9.532 294 HA LEU 40 HA LEU 40 -4.075 -5.674 -8.818 295 1HB LEU 40 2HB LEU 40 -5.434 -4.113 -10.987 296 2HB LEU 40 1HB LEU 40 -6.148 -5.156 -9.771 297 HG LEU 40 HG LEU 40 -4.928 -2.454 -9.247 298 1HD1 LEU 40 1HD1 LEU 40 -7.006 -1.540 -9.288 299 2HD1 LEU 40 2HD1 LEU 40 -7.790 -3.048 -8.865 300 3HD1 LEU 40 3HD1 LEU 40 -7.219 -2.796 -10.505 301 1HD2 LEU 40 1HD2 LEU 40 -5.706 -2.684 -7.004 302 2HD2 LEU 40 2HD2 LEU 40 -4.750 -4.117 -7.386 303 3HD2 LEU 40 3HD2 LEU 40 -6.512 -4.206 -7.383 304 H ALA 41 H ALA 41 -3.196 -4.351 -11.990 305 HA ALA 41 HA ALA 41 -3.659 -6.749 -13.423 306 1HB ALA 41 1HB ALA 41 -1.841 -4.483 -14.199 307 2HB ALA 41 2HB ALA 41 -3.587 -4.488 -14.449 308 3HB ALA 41 3HB ALA 41 -2.575 -5.673 -15.274 309 H ALA 42 H ALA 42 -0.734 -5.230 -12.200 310 HA ALA 42 HA ALA 42 1.081 -7.205 -13.051 311 1HB ALA 42 1HB ALA 42 2.329 -5.443 -12.432 312 2HB ALA 42 2HB ALA 42 2.282 -6.170 -10.825 313 3HB ALA 42 3HB ALA 42 1.143 -4.894 -11.250 314 H LEU 43 H LEU 43 -0.935 -6.907 -10.210 315 HA LEU 43 HA LEU 43 0.266 -8.893 -8.635 316 1HB LEU 43 2HB LEU 43 -2.410 -7.583 -8.701 317 2HB LEU 43 1HB LEU 43 -2.205 -9.024 -7.731 318 HG LEU 43 HG LEU 43 -0.444 -6.620 -7.426 319 1HD1 LEU 43 1HD1 LEU 43 -2.401 -7.101 -5.325 320 2HD1 LEU 43 2HD1 LEU 43 -3.142 -6.655 -6.863 321 3HD1 LEU 43 3HD1 LEU 43 -1.947 -5.594 -6.120 322 1HD2 LEU 43 1HD2 LEU 43 -0.405 -7.843 -5.081 323 2HD2 LEU 43 2HD2 LEU 43 0.682 -8.294 -6.393 324 3HD2 LEU 43 3HD2 LEU 43 -0.778 -9.236 -6.097 325 H ALA 44 H ALA 44 -1.912 -9.083 -11.314 326 HA ALA 44 HA ALA 44 -2.983 -11.633 -10.895 327 1HB ALA 44 1HB ALA 44 -2.489 -10.004 -13.357 328 2HB ALA 44 2HB ALA 44 -4.017 -10.400 -12.573 329 3HB ALA 44 3HB ALA 44 -3.135 -11.639 -13.466 330 H SER 45 H SER 45 0.211 -10.689 -11.685 331 HA SER 45 HA SER 45 0.868 -13.430 -12.448 332 1HB SER 45 2HB SER 45 1.843 -10.817 -13.426 333 2HB SER 45 1HB SER 45 3.060 -12.079 -13.244 334 HG SER 45 HG SER 45 1.082 -11.826 -15.101 335 H LYS 46 H LYS 46 1.063 -11.312 -9.892 336 HA LYS 46 HA LYS 46 2.882 -12.988 -8.485 337 1HB LYS 46 2HB LYS 46 4.198 -11.159 -9.963 338 2HB LYS 46 1HB LYS 46 3.907 -10.214 -8.510 339 1HG LYS 46 2HG LYS 46 4.821 -12.563 -7.472 340 2HG LYS 46 1HG LYS 46 5.743 -12.436 -8.972 341 1HD LYS 46 2HD LYS 46 5.900 -9.891 -7.986 342 2HD LYS 46 1HD LYS 46 5.919 -10.857 -6.511 343 1HE LYS 46 2HE LYS 46 7.910 -11.859 -7.030 344 2HE LYS 46 1HE LYS 46 7.656 -11.707 -8.767 345 1HZ LYS 46 1HZ LYS 46 8.685 -9.716 -6.863 346 2HZ LYS 46 2HZ LYS 46 7.910 -9.192 -8.271 347 3HZ LYS 46 3HZ LYS 46 9.291 -10.162 -8.378 348 H THR 47 H THR 47 3.193 -12.267 -6.228 349 HA THR 47 HA THR 47 1.251 -10.293 -5.348 350 HB THR 47 HB THR 47 1.418 -13.128 -4.331 351 HG1 THR 47 1HG THR 47 -0.786 -13.130 -4.943 352 1HG2 THR 47 1HG2 THR 47 -0.015 -12.681 -2.590 353 2HG2 THR 47 2HG2 THR 47 -0.547 -11.148 -3.280 354 3HG2 THR 47 3HG2 THR 47 1.055 -11.282 -2.554 355 HA PRO 48 HA PRO 48 4.971 -9.397 -2.958 356 1HB PRO 48 2HB PRO 48 4.206 -6.954 -2.103 357 2HB PRO 48 1HB PRO 48 4.796 -7.229 -3.746 358 1HG PRO 48 2HG PRO 48 1.978 -6.987 -2.764 359 2HG PRO 48 1HG PRO 48 2.722 -6.283 -4.210 360 1HD PRO 48 2HD PRO 48 1.199 -8.524 -4.275 361 2HD PRO 48 1HD PRO 48 2.517 -8.223 -5.416 362 H ASP 49 H ASP 49 5.372 -8.931 -0.664 363 HA ASP 49 HA ASP 49 3.500 -10.324 1.012 364 1HB ASP 49 2HB ASP 49 6.064 -8.890 1.732 365 2HB ASP 49 1HB ASP 49 5.164 -9.975 2.788 366 H VAL 50 H VAL 50 4.142 -7.024 0.233 367 HA VAL 50 HA VAL 50 2.047 -6.181 2.089 368 HB VAL 50 HB VAL 50 4.170 -5.853 3.286 369 1HG1 VAL 50 1HG1 VAL 50 5.988 -4.790 2.452 370 2HG1 VAL 50 2HG1 VAL 50 5.039 -3.754 1.392 371 3HG1 VAL 50 3HG1 VAL 50 5.322 -5.439 0.959 372 1HG2 VAL 50 1HG2 VAL 50 2.664 -3.400 2.444 373 2HG2 VAL 50 2HG2 VAL 50 3.998 -3.309 3.583 374 3HG2 VAL 50 3HG2 VAL 50 2.581 -4.288 3.964 375 H LEU 51 H LEU 51 1.309 -3.888 1.555 376 HA LEU 51 HA LEU 51 2.023 -2.951 -1.094 377 1HB LEU 51 2HB LEU 51 0.180 -4.782 -1.172 378 2HB LEU 51 1HB LEU 51 -0.873 -3.507 -0.596 379 HG LEU 51 HG LEU 51 -0.445 -2.187 -2.576 380 1HD1 LEU 51 1HD1 LEU 51 0.951 -4.022 -4.239 381 2HD1 LEU 51 2HD1 LEU 51 1.891 -3.785 -2.766 382 3HD1 LEU 51 3HD1 LEU 51 1.425 -2.392 -3.745 383 1HD2 LEU 51 1HD2 LEU 51 -1.525 -4.893 -2.677 384 2HD2 LEU 51 2HD2 LEU 51 -1.012 -4.293 -4.251 385 3HD2 LEU 51 3HD2 LEU 51 -2.184 -3.383 -3.303 386 H LEU 52 H LEU 52 2.380 -0.887 -0.752 387 HA LEU 52 HA LEU 52 0.706 0.625 1.122 388 1HB LEU 52 2HB LEU 52 3.364 0.616 0.944 389 2HB LEU 52 1HB LEU 52 3.050 1.827 -0.282 390 HG LEU 52 HG LEU 52 2.213 1.983 2.614 391 1HD1 LEU 52 1HD1 LEU 52 4.253 3.567 1.060 392 2HD1 LEU 52 2HD1 LEU 52 4.617 2.305 2.236 393 3HD1 LEU 52 3HD1 LEU 52 3.824 3.792 2.756 394 1HD2 LEU 52 1HD2 LEU 52 1.885 4.471 1.613 395 2HD2 LEU 52 2HD2 LEU 52 0.590 3.284 1.760 396 3HD2 LEU 52 3HD2 LEU 52 1.420 3.497 0.220 397 H SER 53 H SER 53 -0.951 1.784 0.313 398 HA SER 53 HA SER 53 -0.706 2.766 -2.453 399 1HB SER 53 2HB SER 53 -2.568 0.904 -1.439 400 2HB SER 53 1HB SER 53 -3.459 2.393 -1.747 401 HG SER 53 HG SER 53 -2.153 2.277 -3.847 402 H ASP 54 H ASP 54 -1.308 4.802 -2.900 403 HA ASP 54 HA ASP 54 -1.778 6.584 -0.673 404 1HB ASP 54 2HB ASP 54 -0.333 6.904 -2.900 405 2HB ASP 54 1HB ASP 54 -1.853 7.577 -3.475 406 H ILE 55 H ILE 55 -3.371 8.487 -1.264 407 HA ILE 55 HA ILE 55 -5.764 7.639 -2.622 408 HB ILE 55 HB ILE 55 -6.124 6.596 -0.465 409 1HG1 ILE 55 2HG1 ILE 55 -7.918 8.003 -1.806 410 2HG1 ILE 55 1HG1 ILE 55 -8.323 7.223 -0.285 411 1HG2 ILE 55 1HG2 ILE 55 -5.113 9.124 0.546 412 2HG2 ILE 55 2HG2 ILE 55 -5.122 7.526 1.282 413 3HG2 ILE 55 3HG2 ILE 55 -6.551 8.553 1.386 414 1HD1 ILE 55 1HD1 ILE 55 -7.325 10.000 -0.146 415 2HD1 ILE 55 2HD1 ILE 55 -8.576 9.192 0.794 416 3HD1 ILE 55 3HD1 ILE 55 -8.925 9.750 -0.842 417 H ARG 56 H ARG 56 -5.956 9.368 -3.877 418 HA ARG 56 HA ARG 56 -6.173 11.993 -2.583 419 1HB ARG 56 2HB ARG 56 -5.041 12.975 -4.613 420 2HB ARG 56 1HB ARG 56 -4.001 12.042 -3.547 421 1HG ARG 56 2HG ARG 56 -3.498 10.581 -5.147 422 2HG ARG 56 1HG ARG 56 -5.185 10.415 -5.639 423 1HD ARG 56 2HD ARG 56 -3.962 11.289 -7.492 424 2HD ARG 56 1HD ARG 56 -4.966 12.584 -6.851 425 HE ARG 56 HE ARG 56 -2.051 12.354 -6.589 426 1HH1 ARG 56 1HH1 ARG 56 -4.975 14.230 -6.156 427 2HH1 ARG 56 2HH1 ARG 56 -4.125 15.713 -5.894 428 1HH2 ARG 56 1HH2 ARG 56 -0.944 14.314 -6.232 429 2HH2 ARG 56 2HH2 ARG 56 -1.846 15.762 -5.934 430 H MET 57 H MET 57 -8.255 10.234 -3.313 431 HA MET 57 HA MET 57 -10.306 10.308 -4.250 432 1HB MET 57 2HB MET 57 -9.589 12.951 -3.950 433 2HB MET 57 1HB MET 57 -10.083 12.863 -5.634 434 1HG MET 57 2HG MET 57 -12.250 12.249 -5.107 435 2HG MET 57 1HG MET 57 -11.801 11.677 -3.500 436 1HE MET 57 1HE MET 57 -13.416 13.379 -1.671 437 2HE MET 57 2HE MET 57 -14.057 12.724 -3.179 438 3HE MET 57 3HE MET 57 -14.322 14.421 -2.769 439 HA PRO 58 HA PRO 58 -8.355 9.725 -8.584 440 1HB PRO 58 2HB PRO 58 -7.813 7.067 -8.493 441 2HB PRO 58 1HB PRO 58 -6.632 8.292 -8.015 442 1HG PRO 58 2HG PRO 58 -8.453 6.648 -6.290 443 2HG PRO 58 1HG PRO 58 -6.730 7.008 -6.068 444 1HD PRO 58 2HD PRO 58 -8.662 8.337 -4.736 445 2HD PRO 58 1HD PRO 58 -7.155 9.121 -5.240 446 H GLY 59 H GLY 59 -9.544 6.530 -7.737 447 1HA GLY 59 2HA GLY 59 -11.855 6.930 -9.469 448 2HA GLY 59 1HA GLY 59 -11.307 5.400 -8.787 449 H MET 60 H MET 60 -11.943 4.806 -6.720 450 HA MET 60 HA MET 60 -14.343 6.137 -5.757 451 1HB MET 60 2HB MET 60 -14.289 3.641 -5.917 452 2HB MET 60 1HB MET 60 -13.037 3.629 -4.684 453 1HG MET 60 2HG MET 60 -14.956 3.184 -3.484 454 2HG MET 60 1HG MET 60 -14.707 4.911 -3.236 455 1HE MET 60 1HE MET 60 -17.835 3.039 -6.037 456 2HE MET 60 2HE MET 60 -16.437 2.227 -5.333 457 3HE MET 60 3HE MET 60 -16.218 3.370 -6.659 458 H ASP 61 H ASP 61 -12.776 7.961 -5.342 459 HA ASP 61 HA ASP 61 -11.903 9.412 -3.830 460 1HB ASP 61 2HB ASP 61 -13.373 7.528 -2.230 461 2HB ASP 61 1HB ASP 61 -11.930 8.068 -1.374 462 H GLY 62 H GLY 62 -10.794 6.178 -4.032 463 1HA GLY 62 2HA GLY 62 -8.285 6.177 -4.435 464 2HA GLY 62 1HA GLY 62 -8.213 6.878 -2.829 465 H LEU 63 H LEU 63 -10.450 5.324 -1.837 466 HA LEU 63 HA LEU 63 -9.005 3.054 -0.978 467 1HB LEU 63 2HB LEU 63 -11.915 3.762 -0.686 468 2HB LEU 63 1HB LEU 63 -11.178 2.353 0.048 469 HG LEU 63 HG LEU 63 -9.533 4.215 1.018 470 1HD1 LEU 63 1HD1 LEU 63 -10.257 6.308 0.954 471 2HD1 LEU 63 2HD1 LEU 63 -11.863 5.836 1.505 472 3HD1 LEU 63 3HD1 LEU 63 -11.471 5.783 -0.213 473 1HD2 LEU 63 1HD2 LEU 63 -12.202 3.302 2.047 474 2HD2 LEU 63 2HD2 LEU 63 -11.084 4.255 3.024 475 3HD2 LEU 63 3HD2 LEU 63 -10.605 2.666 2.427 476 H ALA 64 H ALA 64 -10.791 3.707 -3.768 477 HA ALA 64 HA ALA 64 -12.057 1.330 -4.394 478 1HB ALA 64 1HB ALA 64 -10.700 2.426 -6.699 479 2HB ALA 64 2HB ALA 64 -11.423 3.693 -5.703 480 3HB ALA 64 3HB ALA 64 -12.424 2.377 -6.322 481 H LEU 65 H LEU 65 -8.620 2.121 -4.625 482 HA LEU 65 HA LEU 65 -7.813 -0.077 -6.154 483 1HB LEU 65 2HB LEU 65 -5.578 0.284 -5.181 484 2HB LEU 65 1HB LEU 65 -6.314 1.753 -5.790 485 HG LEU 65 HG LEU 65 -7.064 1.959 -3.228 486 1HD1 LEU 65 1HD1 LEU 65 -5.927 -0.204 -2.686 487 2HD1 LEU 65 2HD1 LEU 65 -5.388 1.171 -1.726 488 3HD1 LEU 65 3HD1 LEU 65 -4.395 0.578 -3.055 489 1HD2 LEU 65 1HD2 LEU 65 -5.067 3.084 -4.916 490 2HD2 LEU 65 2HD2 LEU 65 -4.385 2.898 -3.302 491 3HD2 LEU 65 3HD2 LEU 65 -5.872 3.814 -3.530 492 H LEU 66 H LEU 66 -8.266 0.235 -2.647 493 HA LEU 66 HA LEU 66 -7.182 -2.249 -1.906 494 1HB LEU 66 2HB LEU 66 -9.454 -0.736 -0.611 495 2HB LEU 66 1HB LEU 66 -8.564 -2.055 0.124 496 HG LEU 66 HG LEU 66 -6.519 -0.389 -0.428 497 1HD1 LEU 66 1HD1 LEU 66 -7.626 1.452 -1.295 498 2HD1 LEU 66 2HD1 LEU 66 -7.436 1.877 0.403 499 3HD1 LEU 66 3HD1 LEU 66 -8.987 1.281 -0.186 500 1HD2 LEU 66 1HD2 LEU 66 -8.301 -0.725 1.933 501 2HD2 LEU 66 2HD2 LEU 66 -7.037 0.502 1.984 502 3HD2 LEU 66 3HD2 LEU 66 -6.614 -1.189 1.720 503 H LYS 67 H LYS 67 -10.437 -1.301 -2.865 504 HA LYS 67 HA LYS 67 -11.790 -3.666 -2.398 505 1HB LYS 67 2HB LYS 67 -12.455 -1.255 -3.449 506 2HB LYS 67 1HB LYS 67 -12.524 -2.271 -4.883 507 1HG LYS 67 2HG LYS 67 -14.484 -3.107 -4.262 508 2HG LYS 67 1HG LYS 67 -13.831 -3.584 -2.692 509 1HD LYS 67 2HD LYS 67 -15.432 -2.114 -1.997 510 2HD LYS 67 1HD LYS 67 -14.086 -0.992 -2.210 511 1HE LYS 67 2HE LYS 67 -16.090 -0.082 -3.218 512 2HE LYS 67 1HE LYS 67 -14.905 -0.465 -4.466 513 1HZ LYS 67 1HZ LYS 67 -17.544 -1.436 -4.165 514 2HZ LYS 67 2HZ LYS 67 -16.459 -2.734 -4.142 515 3HZ LYS 67 3HZ LYS 67 -16.468 -1.663 -5.451 516 H GLN 68 H GLN 68 -9.965 -2.695 -5.264 517 HA GLN 68 HA GLN 68 -10.554 -5.066 -6.707 518 1HB GLN 68 2HB GLN 68 -8.370 -3.026 -7.068 519 2HB GLN 68 1HB GLN 68 -8.718 -4.327 -8.201 520 1HG GLN 68 2HG GLN 68 -10.626 -2.127 -7.436 521 2HG GLN 68 1HG GLN 68 -9.661 -2.181 -8.913 522 1HE2 GLN 68 1HE2 GLN 68 -12.159 -3.891 -7.102 523 2HE2 GLN 68 2HE2 GLN 68 -12.931 -4.592 -8.480 524 H ILE 69 H ILE 69 -7.762 -4.018 -4.767 525 HA ILE 69 HA ILE 69 -6.111 -6.220 -5.296 526 HB ILE 69 HB ILE 69 -6.201 -4.628 -2.734 527 1HG1 ILE 69 2HG1 ILE 69 -4.262 -4.093 -4.951 528 2HG1 ILE 69 1HG1 ILE 69 -5.890 -3.433 -5.068 529 1HG2 ILE 69 1HG2 ILE 69 -3.696 -5.246 -2.803 530 2HG2 ILE 69 2HG2 ILE 69 -4.196 -6.510 -3.927 531 3HG2 ILE 69 3HG2 ILE 69 -4.856 -6.474 -2.291 532 1HD1 ILE 69 1HD1 ILE 69 -4.005 -2.971 -2.768 533 2HD1 ILE 69 2HD1 ILE 69 -5.589 -2.233 -2.999 534 3HD1 ILE 69 3HD1 ILE 69 -4.270 -1.854 -4.105 535 H LYS 70 H LYS 70 -8.675 -5.751 -2.988 536 HA LYS 70 HA LYS 70 -8.198 -8.125 -1.502 537 1HB LYS 70 2HB LYS 70 -10.298 -7.667 -0.405 538 2HB LYS 70 1HB LYS 70 -9.426 -6.153 -0.606 539 1HG LYS 70 2HG LYS 70 -11.062 -5.269 -1.800 540 2HG LYS 70 1HG LYS 70 -11.148 -6.680 -2.852 541 1HD LYS 70 2HD LYS 70 -12.906 -7.540 -1.761 542 2HD LYS 70 1HD LYS 70 -12.242 -7.126 -0.181 543 1HE LYS 70 2HE LYS 70 -13.823 -5.560 -0.069 544 2HE LYS 70 1HE LYS 70 -12.892 -4.674 -1.272 545 1HZ LYS 70 1HZ LYS 70 -14.948 -6.683 -1.993 546 2HZ LYS 70 2HZ LYS 70 -14.218 -5.537 -3.003 547 3HZ LYS 70 3HZ LYS 70 -15.300 -5.038 -1.804 548 H GLN 71 H GLN 71 -10.003 -7.343 -4.350 549 HA GLN 71 HA GLN 71 -11.542 -9.738 -4.380 550 1HB GLN 71 2HB GLN 71 -12.659 -8.115 -5.536 551 2HB GLN 71 1HB GLN 71 -11.185 -7.373 -6.125 552 1HG GLN 71 2HG GLN 71 -11.382 -9.885 -7.393 553 2HG GLN 71 1HG GLN 71 -12.981 -9.151 -7.453 554 1HE2 GLN 71 1HE2 GLN 71 -9.894 -7.449 -7.439 555 2HE2 GLN 71 2HE2 GLN 71 -10.063 -6.765 -9.016 556 H ARG 72 H ARG 72 -8.552 -8.657 -5.805 557 HA ARG 72 HA ARG 72 -8.234 -11.133 -7.289 558 1HB ARG 72 2HB ARG 72 -6.648 -8.589 -7.110 559 2HB ARG 72 1HB ARG 72 -5.967 -10.027 -7.860 560 1HG ARG 72 2HG ARG 72 -8.647 -9.104 -8.753 561 2HG ARG 72 1HG ARG 72 -7.223 -8.201 -9.271 562 1HD ARG 72 2HD ARG 72 -6.783 -9.727 -10.816 563 2HD ARG 72 1HD ARG 72 -6.706 -10.986 -9.586 564 HE ARG 72 HE ARG 72 -9.115 -10.202 -11.087 565 1HH1 ARG 72 1HH1 ARG 72 -7.372 -12.533 -9.142 566 2HH1 ARG 72 2HH1 ARG 72 -8.547 -13.780 -9.376 567 1HH2 ARG 72 1HH2 ARG 72 -10.646 -11.848 -11.385 568 2HH2 ARG 72 2HH2 ARG 72 -10.399 -13.394 -10.645 569 H HIS 73 H HIS 73 -7.203 -9.690 -4.333 570 HA HIS 73 HA HIS 73 -5.954 -12.171 -3.527 571 1HB HIS 73 2HB HIS 73 -4.332 -9.636 -3.302 572 2HB HIS 73 1HB HIS 73 -3.806 -11.292 -3.004 573 HD1 HIS 73 1HD HIS 73 -3.234 -12.742 -5.055 574 HD2 HIS 73 2HD HIS 73 -4.365 -8.854 -5.984 575 HE1 HIS 73 1HE HIS 73 -2.706 -12.459 -7.494 576 HE2 HIS 73 2HE HIS 73 -3.620 -10.186 -8.078 577 HA PRO 74 HA PRO 74 -8.265 -10.049 -0.166 578 1HB PRO 74 2HB PRO 74 -9.512 -12.265 0.755 579 2HB PRO 74 1HB PRO 74 -10.123 -11.322 -0.610 580 1HG PRO 74 2HG PRO 74 -8.553 -13.868 -0.616 581 2HG PRO 74 1HG PRO 74 -9.941 -13.405 -1.617 582 1HD PRO 74 2HD PRO 74 -7.363 -13.290 -2.492 583 2HD PRO 74 1HD PRO 74 -8.642 -12.212 -3.084 584 H MET 75 H MET 75 -5.490 -10.898 -0.068 585 HA MET 75 HA MET 75 -5.376 -11.687 2.736 586 1HB MET 75 2HB MET 75 -3.673 -12.977 0.604 587 2HB MET 75 1HB MET 75 -3.596 -13.301 2.330 588 1HG MET 75 2HG MET 75 -6.235 -13.675 1.090 589 2HG MET 75 1HG MET 75 -4.976 -14.792 0.565 590 1HE MET 75 1HE MET 75 -4.087 -16.652 1.781 591 2HE MET 75 2HE MET 75 -5.784 -17.120 1.657 592 3HE MET 75 3HE MET 75 -4.909 -17.369 3.168 593 H LEU 76 H LEU 76 -3.849 -10.246 -0.037 594 HA LEU 76 HA LEU 76 -1.412 -9.467 1.078 595 1HB LEU 76 2HB LEU 76 -2.736 -9.180 -1.353 596 2HB LEU 76 1HB LEU 76 -2.480 -7.535 -0.805 597 HG LEU 76 HG LEU 76 -0.240 -9.536 -0.915 598 1HD1 LEU 76 1HD1 LEU 76 -1.656 -8.796 -3.125 599 2HD1 LEU 76 2HD1 LEU 76 0.041 -9.275 -3.117 600 3HD1 LEU 76 3HD1 LEU 76 -0.395 -7.567 -3.071 601 1HD2 LEU 76 1HD2 LEU 76 0.055 -6.605 -1.286 602 2HD2 LEU 76 2HD2 LEU 76 1.151 -7.765 -0.538 603 3HD2 LEU 76 3HD2 LEU 76 -0.276 -7.209 0.338 604 HA PRO 77 HA PRO 77 -2.908 -6.323 3.908 605 1HB PRO 77 2HB PRO 77 -0.495 -5.462 4.782 606 2HB PRO 77 1HB PRO 77 -1.222 -6.976 5.330 607 1HG PRO 77 2HG PRO 77 0.879 -6.526 3.256 608 2HG PRO 77 1HG PRO 77 0.798 -7.776 4.506 609 1HD PRO 77 2HD PRO 77 0.118 -8.233 1.915 610 2HD PRO 77 1HD PRO 77 -0.633 -9.089 3.275 611 H VAL 78 H VAL 78 -3.587 -4.378 3.341 612 HA VAL 78 HA VAL 78 -2.016 -2.806 1.422 613 HB VAL 78 HB VAL 78 -4.907 -2.346 2.131 614 1HG1 VAL 78 1HG1 VAL 78 -4.259 -0.473 1.014 615 2HG1 VAL 78 2HG1 VAL 78 -4.706 -1.489 -0.357 616 3HG1 VAL 78 3HG1 VAL 78 -3.009 -1.311 0.096 617 1HG2 VAL 78 1HG2 VAL 78 -5.592 -3.694 0.292 618 2HG2 VAL 78 2HG2 VAL 78 -4.500 -4.677 1.265 619 3HG2 VAL 78 3HG2 VAL 78 -3.925 -3.941 -0.231 620 H ILE 79 H ILE 79 -1.425 -0.732 1.848 621 HA ILE 79 HA ILE 79 -2.179 0.386 4.465 622 HB ILE 79 HB ILE 79 0.550 0.718 3.221 623 1HG1 ILE 79 2HG1 ILE 79 0.472 -0.827 5.682 624 2HG1 ILE 79 1HG1 ILE 79 -0.464 -1.607 4.412 625 1HG2 ILE 79 1HG2 ILE 79 -0.821 2.037 5.327 626 2HG2 ILE 79 2HG2 ILE 79 0.836 2.278 4.771 627 3HG2 ILE 79 3HG2 ILE 79 0.493 1.096 6.033 628 1HD1 ILE 79 1HD1 ILE 79 1.742 -2.462 4.331 629 2HD1 ILE 79 2HD1 ILE 79 2.438 -0.843 4.339 630 3HD1 ILE 79 3HD1 ILE 79 1.534 -1.407 2.933 631 H ILE 80 H ILE 80 -3.419 2.077 4.041 632 HA ILE 80 HA ILE 80 -2.818 3.746 1.709 633 HB ILE 80 HB ILE 80 -5.312 3.807 3.382 634 1HG1 ILE 80 2HG1 ILE 80 -4.864 1.561 2.358 635 2HG1 ILE 80 1HG1 ILE 80 -6.341 2.331 1.795 636 1HG2 ILE 80 1HG2 ILE 80 -5.520 5.707 2.188 637 2HG2 ILE 80 2HG2 ILE 80 -6.033 4.604 0.911 638 3HG2 ILE 80 3HG2 ILE 80 -4.369 5.186 0.958 639 1HD1 ILE 80 1HD1 ILE 80 -3.877 2.762 0.210 640 2HD1 ILE 80 2HD1 ILE 80 -5.553 2.606 -0.317 641 3HD1 ILE 80 3HD1 ILE 80 -4.638 1.173 0.146 642 H MET 81 H MET 81 -2.666 6.003 1.845 643 HA MET 81 HA MET 81 -1.496 6.966 4.270 644 1HB MET 81 2HB MET 81 -1.690 9.243 3.050 645 2HB MET 81 1HB MET 81 -0.593 8.025 2.428 646 1HG MET 81 2HG MET 81 -1.592 8.052 0.464 647 2HG MET 81 1HG MET 81 -3.164 7.733 1.193 648 1HE MET 81 1HE MET 81 -1.319 11.840 0.313 649 2HE MET 81 2HE MET 81 -0.468 10.310 0.523 650 3HE MET 81 3HE MET 81 -1.051 11.194 1.933 651 H THR 82 H THR 82 -4.269 8.449 2.570 652 HA THR 82 HA THR 82 -5.380 9.105 5.204 653 HB THR 82 HB THR 82 -6.241 10.310 2.580 654 HG1 THR 82 1HG THR 82 -4.599 11.640 2.619 655 1HG2 THR 82 1HG2 THR 82 -7.693 11.320 3.925 656 2HG2 THR 82 2HG2 THR 82 -6.312 12.264 4.482 657 3HG2 THR 82 3HG2 THR 82 -6.824 10.837 5.381 658 H ALA 83 H ALA 83 -7.762 9.112 5.384 659 HA ALA 83 HA ALA 83 -8.903 6.809 3.950 660 1HB ALA 83 1HB ALA 83 -9.834 6.069 5.870 661 2HB ALA 83 2HB ALA 83 -10.145 7.698 6.473 662 3HB ALA 83 3HB ALA 83 -8.529 7.007 6.596 663 H HIS 84 H HIS 84 -9.301 10.169 4.646 664 HA HIS 84 HA HIS 84 -10.966 11.676 4.229 665 1HB HIS 84 2HB HIS 84 -10.733 9.939 1.814 666 2HB HIS 84 1HB HIS 84 -11.964 11.194 1.839 667 HD1 HIS 84 1HD HIS 84 -9.807 13.031 3.606 668 HD2 HIS 84 2HD HIS 84 -9.448 11.465 -0.221 669 HE1 HIS 84 1HE HIS 84 -8.090 14.459 2.456 670 HE2 HIS 84 2HE HIS 84 -7.799 13.416 0.182 671 H SER 85 H SER 85 -13.384 11.456 2.804 672 HA SER 85 HA SER 85 -15.029 10.249 4.836 673 1HB SER 85 2HB SER 85 -15.648 12.421 3.906 674 2HB SER 85 1HB SER 85 -15.775 11.713 2.296 675 HG SER 85 HG SER 85 -17.282 10.524 4.310 676 H ASP 86 H ASP 86 -13.453 8.433 3.118 677 HA ASP 86 HA ASP 86 -15.696 6.834 2.095 678 1HB ASP 86 2HB ASP 86 -13.251 7.703 0.704 679 2HB ASP 86 1HB ASP 86 -13.595 5.982 0.561 680 H LEU 87 H LEU 87 -14.165 6.869 4.663 681 HA LEU 87 HA LEU 87 -12.339 4.832 4.933 682 1HB LEU 87 2HB LEU 87 -14.060 6.339 6.667 683 2HB LEU 87 1HB LEU 87 -14.028 4.667 7.188 684 HG LEU 87 HG LEU 87 -11.598 6.411 6.801 685 1HD1 LEU 87 1HD1 LEU 87 -11.630 6.916 8.998 686 2HD1 LEU 87 2HD1 LEU 87 -12.334 5.364 9.455 687 3HD1 LEU 87 3HD1 LEU 87 -13.363 6.647 8.814 688 1HD2 LEU 87 1HD2 LEU 87 -11.352 3.923 6.406 689 2HD2 LEU 87 2HD2 LEU 87 -11.751 3.711 8.111 690 3HD2 LEU 87 3HD2 LEU 87 -10.312 4.621 7.649 691 H ASP 88 H ASP 88 -15.712 4.576 4.259 692 HA ASP 88 HA ASP 88 -16.429 2.122 5.219 693 1HB ASP 88 2HB ASP 88 -17.891 1.953 3.174 694 2HB ASP 88 1HB ASP 88 -18.040 3.451 4.085 695 H ALA 89 H ALA 89 -14.956 2.674 2.009 696 HA ALA 89 HA ALA 89 -14.683 -0.021 1.338 697 1HB ALA 89 1HB ALA 89 -13.787 2.515 0.267 698 2HB ALA 89 2HB ALA 89 -14.238 1.028 -0.570 699 3HB ALA 89 3HB ALA 89 -12.596 1.238 0.033 700 H ALA 90 H ALA 90 -12.838 1.920 3.505 701 HA ALA 90 HA ALA 90 -10.432 0.382 3.427 702 1HB ALA 90 1HB ALA 90 -11.461 2.115 5.677 703 2HB ALA 90 2HB ALA 90 -10.497 2.691 4.320 704 3HB ALA 90 3HB ALA 90 -9.809 1.543 5.465 705 H VAL 91 H VAL 91 -13.425 0.253 5.247 706 HA VAL 91 HA VAL 91 -12.665 -1.559 7.225 707 HB VAL 91 HB VAL 91 -15.413 -1.453 6.014 708 1HG1 VAL 91 1HG1 VAL 91 -15.597 -3.114 7.536 709 2HG1 VAL 91 2HG1 VAL 91 -15.732 -1.769 8.672 710 3HG1 VAL 91 3HG1 VAL 91 -14.179 -2.584 8.443 711 1HG2 VAL 91 1HG2 VAL 91 -14.107 0.406 7.994 712 2HG2 VAL 91 2HG2 VAL 91 -15.854 0.264 7.813 713 3HG2 VAL 91 3HG2 VAL 91 -14.871 0.820 6.459 714 H SER 92 H SER 92 -14.016 -2.145 3.999 715 HA SER 92 HA SER 92 -14.241 -4.934 4.223 716 1HB SER 92 2HB SER 92 -13.692 -3.292 1.739 717 2HB SER 92 1HB SER 92 -14.281 -4.953 1.767 718 HG SER 92 HG SER 92 -16.104 -3.816 1.616 719 H ALA 93 H ALA 93 -11.544 -2.853 3.409 720 HA ALA 93 HA ALA 93 -9.783 -4.765 2.396 721 1HB ALA 93 1HB ALA 93 -9.073 -2.325 4.001 722 2HB ALA 93 2HB ALA 93 -9.433 -2.326 2.274 723 3HB ALA 93 3HB ALA 93 -8.024 -3.195 2.882 724 H TYR 94 H TYR 94 -10.393 -3.732 5.700 725 HA TYR 94 HA TYR 94 -8.350 -5.122 6.977 726 1HB TYR 94 2HB TYR 94 -11.131 -4.755 8.099 727 2HB TYR 94 1HB TYR 94 -9.633 -4.946 9.004 728 HD1 TYR 94 1HD TYR 94 -11.886 -2.664 8.859 729 HD2 TYR 94 2HD TYR 94 -7.891 -3.065 7.435 730 HE1 TYR 94 1HE TYR 94 -11.615 -0.223 8.930 731 HE2 TYR 94 2HE TYR 94 -7.618 -0.621 7.502 732 HH TYR 94 HH TYR 94 -9.372 1.432 7.368 733 H GLN 95 H GLN 95 -11.228 -6.256 5.492 734 HA GLN 95 HA GLN 95 -11.294 -8.802 6.810 735 1HB GLN 95 2HB GLN 95 -13.279 -9.078 5.767 736 2HB GLN 95 1HB GLN 95 -13.117 -7.381 5.346 737 1HG GLN 95 2HG GLN 95 -11.790 -8.524 3.289 738 2HG GLN 95 1HG GLN 95 -12.974 -9.777 3.652 739 1HE2 GLN 95 1HE2 GLN 95 -12.485 -7.554 1.553 740 2HE2 GLN 95 2HE2 GLN 95 -14.067 -6.893 1.326 741 H GLN 96 H GLN 96 -10.057 -7.540 3.758 742 HA GLN 96 HA GLN 96 -9.155 -10.094 2.849 743 1HB GLN 96 2HB GLN 96 -8.217 -8.939 0.974 744 2HB GLN 96 1HB GLN 96 -9.804 -8.257 1.304 745 1HG GLN 96 2HG GLN 96 -8.515 -6.393 0.881 746 2HG GLN 96 1HG GLN 96 -8.499 -6.481 2.632 747 1HE2 GLN 96 1HE2 GLN 96 -6.603 -5.437 2.947 748 2HE2 GLN 96 2HE2 GLN 96 -5.069 -6.074 2.470 749 H GLY 97 H GLY 97 -7.937 -7.728 4.978 750 1HA GLY 97 2HA GLY 97 -6.062 -8.620 6.352 751 2HA GLY 97 1HA GLY 97 -5.262 -8.968 4.831 752 H ALA 98 H ALA 98 -7.037 -6.005 4.952 753 HA ALA 98 HA ALA 98 -4.935 -4.381 4.259 754 1HB ALA 98 1HB ALA 98 -7.622 -3.985 5.069 755 2HB ALA 98 2HB ALA 98 -6.586 -2.915 4.134 756 3HB ALA 98 3HB ALA 98 -6.617 -2.805 5.895 757 H PHE 99 H PHE 99 -3.399 -3.183 5.315 758 HA PHE 99 HA PHE 99 -2.632 -4.128 7.891 759 1HB PHE 99 2HB PHE 99 -1.057 -3.418 6.016 760 2HB PHE 99 1HB PHE 99 -1.437 -1.758 6.470 761 HD1 PHE 99 1HD PHE 99 -0.311 -4.960 8.005 762 HD2 PHE 99 2HD PHE 99 -0.119 -0.711 8.037 763 HE1 PHE 99 1HE PHE 99 1.386 -5.055 9.781 764 HE2 PHE 99 2HE PHE 99 1.590 -0.797 9.807 765 HZ PHE 99 HZ PHE 99 2.341 -2.970 10.684 766 H ASP 100 H ASP 100 -3.583 -0.925 6.636 767 HA ASP 100 HA ASP 100 -5.307 -0.189 8.629 768 1HB ASP 100 2HB ASP 100 -3.716 1.331 10.012 769 2HB ASP 100 1HB ASP 100 -3.781 -0.386 10.387 770 H TYR 101 H TYR 101 -4.901 2.415 9.142 771 HA TYR 101 HA TYR 101 -4.340 3.690 6.554 772 1HB TYR 101 2HB TYR 101 -6.853 3.696 8.121 773 2HB TYR 101 1HB TYR 101 -6.345 5.256 7.485 774 HD1 TYR 101 1HD TYR 101 -7.027 1.742 6.444 775 HD2 TYR 101 2HD TYR 101 -6.804 5.825 5.266 776 HE1 TYR 101 1HE TYR 101 -7.963 1.156 4.254 777 HE2 TYR 101 2HE TYR 101 -7.751 5.246 3.072 778 HH TYR 101 HH TYR 101 -7.970 3.317 1.622 779 H LEU 102 H LEU 102 -3.737 5.928 6.685 780 HA LEU 102 HA LEU 102 -2.504 6.601 9.264 781 1HB LEU 102 2HB LEU 102 -1.591 6.680 6.606 782 2HB LEU 102 1HB LEU 102 -1.798 8.350 7.086 783 HG LEU 102 HG LEU 102 -0.242 8.114 8.891 784 1HD1 LEU 102 1HD1 LEU 102 -0.668 5.987 9.776 785 2HD1 LEU 102 2HD1 LEU 102 0.974 5.907 9.134 786 3HD1 LEU 102 3HD1 LEU 102 -0.362 5.193 8.230 787 1HD2 LEU 102 1HD2 LEU 102 0.530 7.197 6.183 788 2HD2 LEU 102 2HD2 LEU 102 1.722 7.011 7.470 789 3HD2 LEU 102 3HD2 LEU 102 1.062 8.601 7.104 790 HA PRO 103 HA PRO 103 -5.706 9.714 9.612 791 1HB PRO 103 2HB PRO 103 -4.868 10.801 11.965 792 2HB PRO 103 1HB PRO 103 -5.797 9.304 11.853 793 1HG PRO 103 2HG PRO 103 -2.895 9.700 12.339 794 2HG PRO 103 1HG PRO 103 -3.980 8.447 12.956 795 1HD PRO 103 2HD PRO 103 -2.183 8.106 10.885 796 2HD PRO 103 1HD PRO 103 -3.611 7.094 11.164 797 H LYS 104 H LYS 104 -2.876 11.174 11.170 798 HA LYS 104 HA LYS 104 -3.048 13.357 9.213 799 1HB LYS 104 2HB LYS 104 -3.157 13.454 11.966 800 2HB LYS 104 1HB LYS 104 -1.491 13.903 11.624 801 1HG LYS 104 2HG LYS 104 -3.679 15.202 10.085 802 2HG LYS 104 1HG LYS 104 -3.374 15.713 11.746 803 1HD LYS 104 2HD LYS 104 -1.107 16.290 11.219 804 2HD LYS 104 1HD LYS 104 -1.251 15.585 9.609 805 1HE LYS 104 2HE LYS 104 -2.764 17.985 10.634 806 2HE LYS 104 1HE LYS 104 -1.387 18.024 9.536 807 1HZ LYS 104 1HZ LYS 104 -2.632 17.023 7.839 808 2HZ LYS 104 2HZ LYS 104 -3.665 18.188 8.499 809 3HZ LYS 104 3HZ LYS 104 -3.874 16.557 8.887 810 HA PRO 105 HA PRO 105 1.770 12.642 9.941 811 1HB PRO 105 2HB PRO 105 1.621 9.779 10.740 812 2HB PRO 105 1HB PRO 105 2.723 11.046 11.290 813 1HG PRO 105 2HG PRO 105 0.742 10.215 12.854 814 2HG PRO 105 1HG PRO 105 1.175 11.933 12.775 815 1HD PRO 105 2HD PRO 105 -1.116 10.491 11.507 816 2HD PRO 105 1HD PRO 105 -1.075 12.104 12.248 817 H PHE 106 H PHE 106 3.153 11.794 8.358 818 HA PHE 106 HA PHE 106 2.350 9.614 6.677 819 1HB PHE 106 2HB PHE 106 2.186 12.450 5.642 820 2HB PHE 106 1HB PHE 106 2.321 11.052 4.581 821 HD1 PHE 106 1HD PHE 106 0.094 13.253 6.089 822 HD2 PHE 106 2HD PHE 106 0.566 9.136 5.095 823 HE1 PHE 106 1HE PHE 106 -2.347 12.959 6.170 824 HE2 PHE 106 2HE PHE 106 -1.856 8.855 5.186 825 HZ PHE 106 HZ PHE 106 -3.330 10.748 5.714 826 H ASP 107 H ASP 107 4.006 11.758 4.716 827 HA ASP 107 HA ASP 107 6.118 11.681 3.878 828 1HB ASP 107 2HB ASP 107 7.853 12.337 5.432 829 2HB ASP 107 1HB ASP 107 6.369 13.197 5.828 830 H ILE 108 H ILE 108 8.385 10.583 4.169 831 HA ILE 108 HA ILE 108 7.939 7.811 3.922 832 HB ILE 108 HB ILE 108 10.145 9.619 3.511 833 1HG1 ILE 108 2HG1 ILE 108 10.657 8.035 1.714 834 2HG1 ILE 108 1HG1 ILE 108 9.498 6.899 2.389 835 1HG2 ILE 108 1HG2 ILE 108 11.850 7.669 3.675 836 2HG2 ILE 108 2HG2 ILE 108 10.732 7.027 4.874 837 3HG2 ILE 108 3HG2 ILE 108 11.468 8.611 5.115 838 1HD1 ILE 108 1HD1 ILE 108 8.735 8.289 0.413 839 2HD1 ILE 108 2HD1 ILE 108 8.693 9.652 1.531 840 3HD1 ILE 108 3HD1 ILE 108 7.673 8.242 1.821 841 H ASP 109 H ASP 109 9.443 9.726 6.435 842 HA ASP 109 HA ASP 109 10.428 7.754 8.064 843 1HB ASP 109 2HB ASP 109 9.308 10.469 8.628 844 2HB ASP 109 1HB ASP 109 9.705 9.413 9.980 845 H GLU 110 H GLU 110 7.103 9.092 8.269 846 HA GLU 110 HA GLU 110 6.354 7.040 10.116 847 1HB GLU 110 2HB GLU 110 4.578 9.049 8.757 848 2HB GLU 110 1HB GLU 110 4.185 8.095 10.176 849 1HG GLU 110 2HG GLU 110 6.600 9.699 10.482 850 2HG GLU 110 1HG GLU 110 5.148 10.650 10.182 851 H ALA 111 H ALA 111 5.893 7.675 6.703 852 HA ALA 111 HA ALA 111 3.916 5.675 6.303 853 1HB ALA 111 1HB ALA 111 5.776 7.016 4.351 854 2HB ALA 111 2HB ALA 111 4.090 7.429 4.683 855 3HB ALA 111 3HB ALA 111 4.488 5.903 3.890 856 H VAL 112 H VAL 112 7.386 5.751 5.477 857 HA VAL 112 HA VAL 112 7.588 3.053 4.758 858 HB VAL 112 HB VAL 112 9.755 4.772 5.951 859 1HG1 VAL 112 1HG1 VAL 112 9.771 2.069 5.321 860 2HG1 VAL 112 2HG1 VAL 112 11.181 3.101 5.560 861 3HG1 VAL 112 3HG1 VAL 112 10.541 2.843 3.937 862 1HG2 VAL 112 1HG2 VAL 112 8.443 4.765 3.319 863 2HG2 VAL 112 2HG2 VAL 112 10.207 4.785 3.282 864 3HG2 VAL 112 3HG2 VAL 112 9.328 6.047 4.145 865 H ALA 113 H ALA 113 7.646 4.647 7.833 866 HA ALA 113 HA ALA 113 8.742 2.597 9.417 867 1HB ALA 113 1HB ALA 113 6.593 4.512 10.279 868 2HB ALA 113 2HB ALA 113 8.280 4.984 10.095 869 3HB ALA 113 3HB ALA 113 7.835 3.758 11.277 870 H LEU 114 H LEU 114 5.443 3.411 8.524 871 HA LEU 114 HA LEU 114 4.217 1.264 9.902 872 1HB LEU 114 2HB LEU 114 3.063 3.352 9.432 873 2HB LEU 114 1HB LEU 114 3.203 3.059 7.712 874 HG LEU 114 HG LEU 114 1.815 0.914 8.208 875 1HD1 LEU 114 1HD1 LEU 114 2.022 1.219 10.696 876 2HD1 LEU 114 2HD1 LEU 114 0.374 1.014 10.099 877 3HD1 LEU 114 3HD1 LEU 114 0.958 2.618 10.540 878 1HD2 LEU 114 1HD2 LEU 114 1.205 3.173 7.062 879 2HD2 LEU 114 2HD2 LEU 114 0.290 3.457 8.542 880 3HD2 LEU 114 3HD2 LEU 114 -0.074 2.058 7.538 881 H VAL 115 H VAL 115 5.601 1.626 6.742 882 HA VAL 115 HA VAL 115 4.257 -0.676 5.664 883 HB VAL 115 HB VAL 115 5.086 1.271 4.256 884 1HG1 VAL 115 1HG1 VAL 115 7.414 1.159 5.294 885 2HG1 VAL 115 2HG1 VAL 115 7.319 1.380 3.552 886 3HG1 VAL 115 3HG1 VAL 115 7.699 -0.207 4.222 887 1HG2 VAL 115 1HG2 VAL 115 5.959 -1.457 3.328 888 2HG2 VAL 115 2HG2 VAL 115 5.391 -0.112 2.340 889 3HG2 VAL 115 3HG2 VAL 115 4.272 -0.947 3.417 890 H GLU 116 H GLU 116 7.503 0.002 6.894 891 HA GLU 116 HA GLU 116 8.586 -2.544 6.320 892 1HB GLU 116 2HB GLU 116 9.363 -0.459 8.360 893 2HB GLU 116 1HB GLU 116 10.305 -1.909 8.041 894 1HG GLU 116 2HG GLU 116 10.636 -1.208 5.737 895 2HG GLU 116 1HG GLU 116 9.651 0.226 6.023 896 H ARG 117 H ARG 117 7.099 -1.189 9.244 897 HA ARG 117 HA ARG 117 7.448 -3.406 10.910 898 1HB ARG 117 2HB ARG 117 5.674 -2.462 12.278 899 2HB ARG 117 1HB ARG 117 6.730 -1.180 11.699 900 1HG ARG 117 2HG ARG 117 5.135 -0.293 10.327 901 2HG ARG 117 1HG ARG 117 4.292 -1.828 10.124 902 1HD ARG 117 2HD ARG 117 2.892 -0.456 11.454 903 2HD ARG 117 1HD ARG 117 3.612 -1.645 12.540 904 HE ARG 117 HE ARG 117 5.171 0.715 12.480 905 1HH1 ARG 117 1HH1 ARG 117 2.173 -0.553 13.735 906 2HH1 ARG 117 2HH1 ARG 117 2.141 0.521 15.092 907 1HH2 ARG 117 1HH2 ARG 117 5.129 2.133 14.266 908 2HH2 ARG 117 2HH2 ARG 117 3.818 2.046 15.394 909 H ALA 118 H ALA 118 5.241 -2.822 8.326 910 HA ALA 118 HA ALA 118 3.286 -4.750 9.008 911 1HB ALA 118 1HB ALA 118 2.384 -3.372 7.455 912 2HB ALA 118 2HB ALA 118 3.014 -4.582 6.339 913 3HB ALA 118 3HB ALA 118 3.926 -3.104 6.643 914 H ILE 119 H ILE 119 6.183 -4.837 6.993 915 HA ILE 119 HA ILE 119 5.793 -7.537 6.169 916 HB ILE 119 HB ILE 119 8.342 -5.935 6.101 917 1HG1 ILE 119 2HG1 ILE 119 6.684 -6.170 3.668 918 2HG1 ILE 119 1HG1 ILE 119 6.037 -5.128 4.930 919 1HG2 ILE 119 1HG2 ILE 119 7.404 -8.349 4.568 920 2HG2 ILE 119 2HG2 ILE 119 8.776 -8.238 5.672 921 3HG2 ILE 119 3HG2 ILE 119 8.814 -7.388 4.125 922 1HD1 ILE 119 1HD1 ILE 119 8.767 -4.891 3.704 923 2HD1 ILE 119 2HD1 ILE 119 8.070 -3.820 4.918 924 3HD1 ILE 119 3HD1 ILE 119 7.372 -3.895 3.302 925 H SER 120 H SER 120 7.424 -5.917 8.759 926 HA SER 120 HA SER 120 9.040 -8.091 9.600 927 1HB SER 120 2HB SER 120 9.419 -5.658 10.172 928 2HB SER 120 1HB SER 120 8.078 -5.791 11.310 929 HG SER 120 HG SER 120 9.344 -6.794 12.652 930 H HIS 121 H HIS 121 5.985 -6.743 10.829 931 HA HIS 121 HA HIS 121 5.591 -8.646 12.851 932 1HB HIS 121 2HB HIS 121 3.772 -6.766 11.387 933 2HB HIS 121 1HB HIS 121 3.098 -7.950 12.500 934 HD1 HIS 121 1HD HIS 121 4.114 -4.582 12.461 935 HD2 HIS 121 2HD HIS 121 4.638 -7.707 15.149 936 HE1 HIS 121 1HE HIS 121 4.658 -3.492 14.661 937 HE2 HIS 121 2HE HIS 121 4.929 -5.401 16.284 938 H TYR 122 H TYR 122 5.150 -8.827 9.447 939 HA TYR 122 HA TYR 122 3.237 -10.911 9.376 940 1HB TYR 122 2HB TYR 122 4.630 -9.333 7.495 941 2HB TYR 122 1HB TYR 122 4.966 -11.013 7.093 942 HD1 TYR 122 1HD TYR 122 1.966 -9.107 8.268 943 HD2 TYR 122 2HD TYR 122 3.604 -11.823 5.430 944 HE1 TYR 122 1HE TYR 122 -0.227 -9.273 7.169 945 HE2 TYR 122 2HE TYR 122 1.416 -11.995 4.324 946 HH TYR 122 HH TYR 122 -1.241 -9.918 5.156 947 H GLN 123 H GLN 123 6.758 -10.977 8.819 948 HA GLN 123 HA GLN 123 6.857 -13.826 8.931 949 1HB GLN 123 2HB GLN 123 8.471 -11.966 7.828 950 2HB GLN 123 1HB GLN 123 9.354 -12.289 9.314 951 1HG GLN 123 2HG GLN 123 10.161 -14.175 8.492 952 2HG GLN 123 1HG GLN 123 8.541 -14.757 8.110 953 1HE2 GLN 123 1HE2 GLN 123 11.389 -14.414 6.771 954 2HE2 GLN 123 2HE2 GLN 123 10.965 -13.992 5.150 955 H GLU 124 H GLU 124 9.048 -14.462 10.409 956 HA GLU 124 HA GLU 124 8.686 -13.442 13.108 957 1HB GLU 124 2HB GLU 124 8.391 -15.741 14.035 958 2HB GLU 124 1HB GLU 124 7.024 -15.183 13.080 959 1HG GLU 124 2HG GLU 124 7.150 -17.073 11.942 960 2HG GLU 124 1HG GLU 124 8.670 -16.492 11.262 Start of MODEL 7 1 1H MET 1 1HT MET 1 15.681 -13.134 5.706 2 2H MET 1 2HT MET 1 17.107 -12.304 5.236 3 3H MET 1 3HT MET 1 17.172 -13.493 6.470 4 HA MET 1 HA MET 1 17.693 -13.846 3.844 5 1HB MET 1 2HB MET 1 18.364 -15.135 5.930 6 2HB MET 1 1HB MET 1 16.826 -15.977 5.801 7 1HG MET 1 2HG MET 1 17.700 -17.401 4.363 8 2HG MET 1 1HG MET 1 18.106 -16.078 3.270 9 1HE MET 1 1HE MET 1 19.300 -17.306 6.800 10 2HE MET 1 2HE MET 1 20.894 -17.954 6.416 11 3HE MET 1 3HE MET 1 19.448 -18.733 5.776 12 H GLN 2 H GLN 2 15.060 -12.755 3.849 13 HA GLN 2 HA GLN 2 13.610 -14.943 2.517 14 1HB GLN 2 2HB GLN 2 12.756 -13.232 4.713 15 2HB GLN 2 1HB GLN 2 11.647 -13.163 3.350 16 1HG GLN 2 2HG GLN 2 10.807 -14.875 4.661 17 2HG GLN 2 1HG GLN 2 11.720 -15.723 3.415 18 1HE2 GLN 2 1HE2 GLN 2 11.048 -15.741 6.579 19 2HE2 GLN 2 2HE2 GLN 2 12.489 -16.464 7.203 20 H ARG 3 H ARG 3 11.756 -13.946 1.124 21 HA ARG 3 HA ARG 3 12.971 -12.446 -0.913 22 1HB ARG 3 2HB ARG 3 10.904 -14.056 -0.948 23 2HB ARG 3 1HB ARG 3 10.002 -12.575 -0.658 24 1HG ARG 3 2HG ARG 3 9.980 -12.319 -2.865 25 2HG ARG 3 1HG ARG 3 11.687 -11.893 -2.728 26 1HD ARG 3 2HD ARG 3 11.797 -14.614 -2.728 27 2HD ARG 3 1HD ARG 3 10.422 -14.318 -3.791 28 HE ARG 3 HE ARG 3 13.194 -13.716 -4.314 29 1HH1 ARG 3 1HH1 ARG 3 9.879 -13.045 -5.182 30 2HH1 ARG 3 2HH1 ARG 3 10.282 -12.464 -6.763 31 1HH2 ARG 3 1HH2 ARG 3 13.722 -12.948 -6.388 32 2HH2 ARG 3 2HH2 ARG 3 12.463 -12.412 -7.449 33 H GLY 4 H GLY 4 10.277 -11.521 1.175 34 1HA GLY 4 2HA GLY 4 9.539 -9.461 1.887 35 2HA GLY 4 1HA GLY 4 11.236 -9.008 1.901 36 H ILE 5 H ILE 5 8.305 -9.095 -0.015 37 HA ILE 5 HA ILE 5 9.526 -7.235 -1.944 38 HB ILE 5 HB ILE 5 6.912 -8.670 -2.309 39 1HG1 ILE 5 2HG1 ILE 5 8.465 -10.082 -3.930 40 2HG1 ILE 5 1HG1 ILE 5 9.692 -9.651 -2.741 41 1HG2 ILE 5 1HG2 ILE 5 6.948 -7.958 -4.487 42 2HG2 ILE 5 2HG2 ILE 5 8.700 -7.781 -4.516 43 3HG2 ILE 5 3HG2 ILE 5 7.709 -6.594 -3.672 44 1HD1 ILE 5 1HD1 ILE 5 7.971 -11.787 -2.604 45 2HD1 ILE 5 2HD1 ILE 5 7.244 -10.607 -1.514 46 3HD1 ILE 5 3HD1 ILE 5 8.912 -11.120 -1.270 47 H VAL 6 H VAL 6 9.083 -5.162 -1.559 48 HA VAL 6 HA VAL 6 6.489 -4.507 -0.335 49 HB VAL 6 HB VAL 6 8.362 -3.701 0.980 50 1HG1 VAL 6 1HG1 VAL 6 9.698 -3.403 -1.343 51 2HG1 VAL 6 2HG1 VAL 6 10.177 -2.643 0.166 52 3HG1 VAL 6 3HG1 VAL 6 9.247 -1.731 -1.024 53 1HG2 VAL 6 1HG2 VAL 6 7.441 -1.159 -0.204 54 2HG2 VAL 6 2HG2 VAL 6 7.370 -1.728 1.463 55 3HG2 VAL 6 3HG2 VAL 6 6.177 -2.288 0.289 56 H TRP 7 H TRP 7 5.012 -3.854 -1.699 57 HA TRP 7 HA TRP 7 5.843 -2.382 -4.102 58 1HB TRP 7 2HB TRP 7 3.480 -4.159 -3.531 59 2HB TRP 7 1HB TRP 7 3.468 -3.027 -4.881 60 HD1 TRP 7 HD1 TRP 7 6.889 -4.279 -4.449 61 HE1 TRP 7 1HE TRP 7 7.428 -6.095 -6.181 62 HE3 TRP 7 3HE TRP 7 2.142 -5.277 -6.072 63 HZ2 TRP 7 2HZ TRP 7 6.025 -7.762 -7.973 64 HZ3 TRP 7 3HZ TRP 7 1.830 -7.008 -7.795 65 HH2 TRP 7 HH2 TRP 7 3.736 -8.225 -8.722 66 H VAL 8 H VAL 8 4.770 -0.473 -4.668 67 HA VAL 8 HA VAL 8 2.970 0.660 -2.636 68 HB VAL 8 HB VAL 8 4.771 2.657 -3.761 69 1HG1 VAL 8 1HG1 VAL 8 3.900 1.881 -0.991 70 2HG1 VAL 8 2HG1 VAL 8 3.331 3.236 -1.966 71 3HG1 VAL 8 3HG1 VAL 8 4.976 3.236 -1.326 72 1HG2 VAL 8 1HG2 VAL 8 6.624 1.910 -2.087 73 2HG2 VAL 8 2HG2 VAL 8 6.571 1.216 -3.709 74 3HG2 VAL 8 3HG2 VAL 8 5.942 0.304 -2.334 75 H VAL 9 H VAL 9 1.477 2.181 -3.404 76 HA VAL 9 HA VAL 9 1.473 2.530 -6.330 77 HB VAL 9 HB VAL 9 -1.177 2.781 -5.167 78 1HG1 VAL 9 1HG1 VAL 9 0.175 1.519 -7.454 79 2HG1 VAL 9 2HG1 VAL 9 -1.273 2.489 -7.406 80 3HG1 VAL 9 3HG1 VAL 9 -1.349 0.782 -6.982 81 1HG2 VAL 9 1HG2 VAL 9 -1.461 0.294 -4.803 82 2HG2 VAL 9 2HG2 VAL 9 -0.563 1.150 -3.549 83 3HG2 VAL 9 3HG2 VAL 9 0.298 0.185 -4.747 84 H ASP 10 H ASP 10 2.147 4.550 -6.645 85 HA ASP 10 HA ASP 10 0.545 6.770 -6.004 86 1HB ASP 10 2HB ASP 10 2.112 6.059 -3.850 87 2HB ASP 10 1HB ASP 10 3.078 7.292 -4.646 88 H ASP 11 H ASP 11 0.753 7.956 -7.700 89 HA ASP 11 HA ASP 11 1.517 8.752 -9.683 90 1HB ASP 11 2HB ASP 11 2.818 9.970 -7.515 91 2HB ASP 11 1HB ASP 11 4.056 9.743 -8.744 92 H ASP 12 H ASP 12 4.788 8.143 -8.531 93 HA ASP 12 HA ASP 12 5.512 5.768 -9.511 94 1HB ASP 12 2HB ASP 12 4.514 6.225 -11.669 95 2HB ASP 12 1HB ASP 12 5.432 7.716 -11.818 96 H SER 13 H SER 13 7.182 8.195 -11.333 97 HA SER 13 HA SER 13 9.678 7.815 -10.529 98 1HB SER 13 2HB SER 13 10.053 10.303 -10.959 99 2HB SER 13 1HB SER 13 9.312 9.361 -12.254 100 HG SER 13 HG SER 13 7.490 10.413 -11.991 101 H SER 14 H SER 14 8.153 10.681 -9.211 102 HA SER 14 HA SER 14 9.924 11.092 -7.152 103 1HB SER 14 2HB SER 14 8.327 12.786 -7.877 104 2HB SER 14 1HB SER 14 6.995 11.844 -7.211 105 HG SER 14 HG SER 14 8.845 12.224 -5.308 106 H ILE 15 H ILE 15 7.001 9.077 -7.065 107 HA ILE 15 HA ILE 15 7.283 8.616 -4.254 108 HB ILE 15 HB ILE 15 5.551 7.133 -6.229 109 1HG1 ILE 15 2HG1 ILE 15 5.185 9.620 -6.034 110 2HG1 ILE 15 1HG1 ILE 15 3.790 8.636 -5.614 111 1HG2 ILE 15 1HG2 ILE 15 4.552 7.180 -3.544 112 2HG2 ILE 15 2HG2 ILE 15 6.199 6.556 -3.539 113 3HG2 ILE 15 3HG2 ILE 15 4.971 5.793 -4.549 114 1HD1 ILE 15 1HD1 ILE 15 4.021 9.094 -3.335 115 2HD1 ILE 15 2HD1 ILE 15 4.341 10.634 -4.134 116 3HD1 ILE 15 3HD1 ILE 15 5.680 9.659 -3.527 117 H ARG 16 H ARG 16 8.524 7.202 -7.124 118 HA ARG 16 HA ARG 16 9.138 4.657 -5.973 119 1HB ARG 16 2HB ARG 16 8.828 5.102 -8.451 120 2HB ARG 16 1HB ARG 16 10.411 5.866 -8.425 121 1HG ARG 16 2HG ARG 16 10.918 3.459 -7.230 122 2HG ARG 16 1HG ARG 16 9.695 3.036 -8.426 123 1HD ARG 16 2HD ARG 16 11.934 4.790 -9.277 124 2HD ARG 16 1HD ARG 16 12.285 3.083 -9.008 125 HE ARG 16 HE ARG 16 10.601 4.227 -11.087 126 1HH1 ARG 16 1HH1 ARG 16 11.761 1.318 -9.514 127 2HH1 ARG 16 2HH1 ARG 16 11.321 0.293 -10.839 128 1HH2 ARG 16 1HH2 ARG 16 10.033 2.878 -12.804 129 2HH2 ARG 16 2HH2 ARG 16 10.341 1.177 -12.705 130 H TRP 17 H TRP 17 10.737 7.741 -6.307 131 HA TRP 17 HA TRP 17 13.325 6.796 -5.664 132 1HB TRP 17 2HB TRP 17 12.919 8.921 -6.868 133 2HB TRP 17 1HB TRP 17 12.253 9.602 -5.386 134 HD1 TRP 17 HD1 TRP 17 15.603 8.372 -6.849 135 HE1 TRP 17 1HE TRP 17 17.515 9.449 -5.501 136 HE3 TRP 17 3HE TRP 17 12.843 10.670 -3.210 137 HZ2 TRP 17 2HZ TRP 17 17.813 11.058 -3.200 138 HZ3 TRP 17 3HZ TRP 17 14.015 11.955 -1.472 139 HH2 TRP 17 HH2 TRP 17 16.449 12.143 -1.468 140 H VAL 18 H VAL 18 11.099 8.788 -3.741 141 HA VAL 18 HA VAL 18 12.545 8.809 -1.408 142 HB VAL 18 HB VAL 18 9.612 8.719 -1.062 143 1HG1 VAL 18 1HG1 VAL 18 11.720 9.504 0.480 144 2HG1 VAL 18 2HG1 VAL 18 10.047 10.012 0.713 145 3HG1 VAL 18 3HG1 VAL 18 11.163 11.041 -0.182 146 1HG2 VAL 18 1HG2 VAL 18 10.956 10.455 -3.020 147 2HG2 VAL 18 2HG2 VAL 18 9.916 11.292 -1.871 148 3HG2 VAL 18 3HG2 VAL 18 9.258 10.002 -2.875 149 H LEU 19 H LEU 19 9.726 6.708 -1.852 150 HA LEU 19 HA LEU 19 10.313 5.289 0.533 151 1HB LEU 19 2HB LEU 19 8.067 5.683 -0.984 152 2HB LEU 19 1HB LEU 19 8.416 3.986 -1.249 153 HG LEU 19 HG LEU 19 6.852 4.215 0.572 154 1HD1 LEU 19 1HD1 LEU 19 8.779 3.489 2.441 155 2HD1 LEU 19 2HD1 LEU 19 9.461 3.024 0.885 156 3HD1 LEU 19 3HD1 LEU 19 7.880 2.417 1.370 157 1HD2 LEU 19 1HD2 LEU 19 7.554 5.367 2.671 158 2HD2 LEU 19 2HD2 LEU 19 7.277 6.444 1.303 159 3HD2 LEU 19 3HD2 LEU 19 8.923 6.032 1.782 160 H GLU 20 H GLU 20 10.510 4.335 -2.856 161 HA GLU 20 HA GLU 20 11.237 1.666 -2.363 162 1HB GLU 20 2HB GLU 20 12.086 3.091 -4.812 163 2HB GLU 20 1HB GLU 20 11.466 1.461 -4.651 164 1HG GLU 20 2HG GLU 20 9.958 4.020 -4.457 165 2HG GLU 20 1HG GLU 20 9.873 2.842 -5.763 166 H ARG 21 H ARG 21 13.234 4.285 -3.681 167 HA ARG 21 HA ARG 21 15.639 2.954 -3.726 168 1HB ARG 21 2HB ARG 21 15.179 5.854 -3.043 169 2HB ARG 21 1HB ARG 21 16.748 5.175 -3.436 170 1HG ARG 21 2HG ARG 21 14.772 4.539 -5.457 171 2HG ARG 21 1HG ARG 21 14.927 6.278 -5.203 172 1HD ARG 21 2HD ARG 21 17.035 6.352 -6.013 173 2HD ARG 21 1HD ARG 21 17.453 4.768 -5.365 174 HE ARG 21 HE ARG 21 15.773 5.077 -7.768 175 1HH1 ARG 21 1HH1 ARG 21 18.535 3.661 -6.148 176 2HH1 ARG 21 2HH1 ARG 21 18.911 2.603 -7.463 177 1HH2 ARG 21 1HH2 ARG 21 16.291 3.686 -9.495 178 2HH2 ARG 21 2HH2 ARG 21 17.650 2.620 -9.356 179 H ALA 22 H ALA 22 14.252 4.668 -0.950 180 HA ALA 22 HA ALA 22 16.465 4.082 0.744 181 1HB ALA 22 1HB ALA 22 14.162 4.613 2.311 182 2HB ALA 22 2HB ALA 22 14.112 5.668 0.899 183 3HB ALA 22 3HB ALA 22 15.520 5.684 1.961 184 H LEU 23 H LEU 23 13.559 2.440 -0.131 185 HA LEU 23 HA LEU 23 13.697 0.582 2.073 186 1HB LEU 23 2HB LEU 23 11.575 1.356 0.880 187 2HB LEU 23 1HB LEU 23 12.034 0.269 -0.414 188 HG LEU 23 HG LEU 23 11.665 -1.633 0.898 189 1HD1 LEU 23 1HD1 LEU 23 11.020 -1.174 3.427 190 2HD1 LEU 23 2HD1 LEU 23 12.078 0.217 3.183 191 3HD1 LEU 23 3HD1 LEU 23 12.692 -1.409 2.925 192 1HD2 LEU 23 1HD2 LEU 23 9.624 -0.286 0.259 193 2HD2 LEU 23 2HD2 LEU 23 9.574 0.251 1.940 194 3HD2 LEU 23 3HD2 LEU 23 9.412 -1.462 1.557 195 H ALA 24 H ALA 24 14.907 0.856 -1.135 196 HA ALA 24 HA ALA 24 15.435 -1.891 -1.609 197 1HB ALA 24 1HB ALA 24 17.281 -0.698 -3.144 198 2HB ALA 24 2HB ALA 24 16.222 0.682 -2.855 199 3HB ALA 24 3HB ALA 24 15.578 -0.784 -3.596 200 H GLY 25 H GLY 25 17.135 0.767 -0.048 201 1HA GLY 25 2HA GLY 25 19.635 -0.527 0.274 202 2HA GLY 25 1HA GLY 25 19.022 0.789 1.271 203 H ALA 26 H ALA 26 16.578 -0.834 1.870 204 HA ALA 26 HA ALA 26 17.585 -2.106 4.220 205 1HB ALA 26 1HB ALA 26 14.893 -1.539 3.089 206 2HB ALA 26 2HB ALA 26 15.563 -1.127 4.668 207 3HB ALA 26 3HB ALA 26 15.041 -2.779 4.336 208 H GLY 27 H GLY 27 17.004 -3.106 1.008 209 1HA GLY 27 2HA GLY 27 17.765 -5.206 0.223 210 2HA GLY 27 1HA GLY 27 17.504 -5.873 1.823 211 H LEU 28 H LEU 28 14.958 -3.998 0.239 212 HA LEU 28 HA LEU 28 13.559 -6.536 -0.212 213 1HB LEU 28 2HB LEU 28 11.974 -4.090 0.307 214 2HB LEU 28 1HB LEU 28 11.620 -5.761 0.702 215 HG LEU 28 HG LEU 28 13.670 -5.375 2.366 216 1HD1 LEU 28 1HD1 LEU 28 12.794 -2.718 1.560 217 2HD1 LEU 28 2HD1 LEU 28 14.326 -3.260 2.236 218 3HD1 LEU 28 3HD1 LEU 28 12.946 -2.982 3.297 219 1HD2 LEU 28 1HD2 LEU 28 11.269 -4.219 3.511 220 2HD2 LEU 28 2HD2 LEU 28 12.093 -5.729 3.902 221 3HD2 LEU 28 3HD2 LEU 28 10.938 -5.673 2.570 222 H THR 29 H THR 29 11.684 -6.345 -1.766 223 HA THR 29 HA THR 29 12.644 -5.021 -4.171 224 HB THR 29 HB THR 29 10.254 -6.825 -3.719 225 HG1 THR 29 1HG THR 29 12.906 -7.334 -4.133 226 1HG2 THR 29 1HG2 THR 29 11.441 -6.540 -6.402 227 2HG2 THR 29 2HG2 THR 29 10.439 -5.209 -5.823 228 3HG2 THR 29 3HG2 THR 29 9.773 -6.839 -5.916 229 H CYS 30 H CYS 30 12.210 -2.916 -4.200 230 HA CYS 30 HA CYS 30 9.554 -1.971 -3.361 231 1HB CYS 30 2HB CYS 30 10.713 0.289 -3.464 232 2HB CYS 30 1HB CYS 30 11.212 -0.804 -2.182 233 HG CYS 30 HG CYS 30 13.026 -0.965 -4.616 234 H THR 31 H THR 31 8.159 -1.848 -4.967 235 HA THR 31 HA THR 31 9.023 -0.560 -7.468 236 HB THR 31 HB THR 31 8.542 -3.118 -7.592 237 HG1 THR 31 1HG THR 31 7.305 -2.708 -9.601 238 1HG2 THR 31 1HG2 THR 31 6.494 -3.188 -6.345 239 2HG2 THR 31 2HG2 THR 31 6.186 -3.654 -8.016 240 3HG2 THR 31 3HG2 THR 31 5.748 -2.046 -7.448 241 H THR 32 H THR 32 7.345 0.725 -8.497 242 HA THR 32 HA THR 32 5.137 1.385 -6.677 243 HB THR 32 HB THR 32 5.395 3.736 -7.236 244 HG1 THR 32 1HG THR 32 7.740 3.008 -8.642 245 1HG2 THR 32 1HG2 THR 32 8.183 3.015 -6.600 246 2HG2 THR 32 2HG2 THR 32 6.930 2.427 -5.504 247 3HG2 THR 32 3HG2 THR 32 7.097 4.160 -5.812 248 H PHE 33 H PHE 33 3.336 2.545 -7.715 249 HA PHE 33 HA PHE 33 2.992 1.847 -10.537 250 1HB PHE 33 2HB PHE 33 1.003 1.255 -8.365 251 2HB PHE 33 1HB PHE 33 0.779 0.933 -10.069 252 HD1 PHE 33 1HD PHE 33 3.071 0.169 -7.266 253 HD2 PHE 33 2HD PHE 33 1.301 -1.219 -10.864 254 HE1 PHE 33 1HE PHE 33 4.077 -2.035 -6.899 255 HE2 PHE 33 2HE PHE 33 2.306 -3.429 -10.511 256 HZ PHE 33 HZ PHE 33 3.690 -3.851 -8.528 257 H GLU 34 H GLU 34 0.809 2.793 -11.345 258 HA GLU 34 HA GLU 34 1.019 5.575 -11.214 259 1HB GLU 34 2HB GLU 34 -0.918 5.642 -12.641 260 2HB GLU 34 1HB GLU 34 0.123 4.316 -13.132 261 1HG GLU 34 2HG GLU 34 -1.644 3.170 -11.323 262 2HG GLU 34 1HG GLU 34 -2.631 4.283 -12.264 263 H ASN 35 H ASN 35 -1.399 3.466 -9.579 264 HA ASN 35 HA ASN 35 -1.761 5.396 -7.545 265 1HB ASN 35 2HB ASN 35 -4.137 5.970 -8.018 266 2HB ASN 35 1HB ASN 35 -3.001 6.643 -9.183 267 1HD2 ASN 35 1HD2 ASN 35 -5.142 3.873 -8.645 268 2HD2 ASN 35 2HD2 ASN 35 -5.564 3.658 -10.305 269 H GLY 36 H GLY 36 -3.035 2.619 -9.217 270 1HA GLY 36 2HA GLY 36 -3.161 1.015 -6.933 271 2HA GLY 36 1HA GLY 36 -4.754 1.705 -7.183 272 H ASN 37 H ASN 37 -5.188 1.678 -9.763 273 HA ASN 37 HA ASN 37 -5.931 -0.898 -10.367 274 1HB ASN 37 2HB ASN 37 -5.407 1.462 -12.166 275 2HB ASN 37 1HB ASN 37 -6.116 -0.045 -12.744 276 1HD2 ASN 37 1HD2 ASN 37 -7.821 -0.792 -10.870 277 2HD2 ASN 37 2HD2 ASN 37 -9.041 0.400 -10.599 278 H GLU 38 H GLU 38 -2.859 0.677 -10.972 279 HA GLU 38 HA GLU 38 -1.869 -1.197 -12.829 280 1HB GLU 38 2HB GLU 38 -0.940 1.163 -11.748 281 2HB GLU 38 1HB GLU 38 0.158 -0.032 -11.091 282 1HG GLU 38 2HG GLU 38 -0.442 -0.080 -14.003 283 2HG GLU 38 1HG GLU 38 0.663 1.137 -13.368 284 H VAL 39 H VAL 39 -1.373 -0.976 -9.245 285 HA VAL 39 HA VAL 39 0.225 -3.254 -9.027 286 HB VAL 39 HB VAL 39 -1.834 -2.462 -6.969 287 1HG1 VAL 39 1HG1 VAL 39 0.077 -3.334 -5.470 288 2HG1 VAL 39 2HG1 VAL 39 0.671 -4.108 -6.940 289 3HG1 VAL 39 3HG1 VAL 39 -0.931 -4.504 -6.318 290 1HG2 VAL 39 1HG2 VAL 39 0.943 -1.502 -6.707 291 2HG2 VAL 39 2HG2 VAL 39 -0.577 -0.729 -6.273 292 3HG2 VAL 39 3HG2 VAL 39 -0.032 -0.715 -7.947 293 H LEU 40 H LEU 40 -3.267 -3.019 -9.322 294 HA LEU 40 HA LEU 40 -3.943 -5.615 -8.538 295 1HB LEU 40 2HB LEU 40 -5.370 -4.179 -10.749 296 2HB LEU 40 1HB LEU 40 -6.031 -5.275 -9.550 297 HG LEU 40 HG LEU 40 -4.998 -2.502 -8.970 298 1HD1 LEU 40 1HD1 LEU 40 -7.098 -2.681 -10.352 299 2HD1 LEU 40 2HD1 LEU 40 -7.240 -1.797 -8.831 300 3HD1 LEU 40 3HD1 LEU 40 -7.837 -3.449 -8.951 301 1HD2 LEU 40 1HD2 LEU 40 -6.045 -4.722 -7.286 302 2HD2 LEU 40 2HD2 LEU 40 -6.430 -3.059 -6.842 303 3HD2 LEU 40 3HD2 LEU 40 -4.747 -3.573 -6.958 304 H ALA 41 H ALA 41 -3.165 -4.360 -11.777 305 HA ALA 41 HA ALA 41 -3.512 -6.809 -13.118 306 1HB ALA 41 1HB ALA 41 -1.635 -4.630 -13.970 307 2HB ALA 41 2HB ALA 41 -3.386 -4.516 -14.156 308 3HB ALA 41 3HB ALA 41 -2.492 -5.787 -14.991 309 H ALA 42 H ALA 42 -0.646 -5.240 -11.836 310 HA ALA 42 HA ALA 42 1.205 -7.215 -12.606 311 1HB ALA 42 1HB ALA 42 2.782 -6.009 -11.470 312 2HB ALA 42 2HB ALA 42 1.697 -5.629 -10.132 313 3HB ALA 42 3HB ALA 42 1.539 -4.776 -11.668 314 H LEU 43 H LEU 43 -0.718 -6.796 -9.674 315 HA LEU 43 HA LEU 43 0.453 -8.801 -8.122 316 1HB LEU 43 2HB LEU 43 -2.246 -7.516 -8.162 317 2HB LEU 43 1HB LEU 43 -1.977 -8.924 -7.149 318 HG LEU 43 HG LEU 43 -0.370 -6.385 -6.961 319 1HD1 LEU 43 1HD1 LEU 43 -2.682 -5.981 -6.311 320 2HD1 LEU 43 2HD1 LEU 43 -1.644 -6.014 -4.885 321 3HD1 LEU 43 3HD1 LEU 43 -2.651 -7.406 -5.274 322 1HD2 LEU 43 1HD2 LEU 43 1.019 -7.855 -5.967 323 2HD2 LEU 43 2HD2 LEU 43 -0.255 -9.059 -5.753 324 3HD2 LEU 43 3HD2 LEU 43 -0.114 -7.712 -4.620 325 H ALA 44 H ALA 44 -1.728 -8.999 -10.783 326 HA ALA 44 HA ALA 44 -2.967 -11.430 -10.394 327 1HB ALA 44 1HB ALA 44 -3.203 -11.547 -12.820 328 2HB ALA 44 2HB ALA 44 -1.988 -10.283 -12.998 329 3HB ALA 44 3HB ALA 44 -3.528 -9.921 -12.217 330 H SER 45 H SER 45 0.364 -10.852 -11.042 331 HA SER 45 HA SER 45 0.760 -13.732 -11.344 332 1HB SER 45 2HB SER 45 1.824 -11.504 -12.966 333 2HB SER 45 1HB SER 45 2.963 -12.793 -12.578 334 HG SER 45 HG SER 45 1.904 -13.317 -14.477 335 H LYS 46 H LYS 46 1.149 -11.346 -9.197 336 HA LYS 46 HA LYS 46 3.207 -12.757 -7.804 337 1HB LYS 46 2HB LYS 46 4.048 -10.729 -9.514 338 2HB LYS 46 1HB LYS 46 4.038 -9.979 -7.925 339 1HG LYS 46 2HG LYS 46 5.240 -12.526 -7.657 340 2HG LYS 46 1HG LYS 46 5.963 -11.728 -9.055 341 1HD LYS 46 2HD LYS 46 6.316 -9.711 -7.630 342 2HD LYS 46 1HD LYS 46 5.764 -10.657 -6.245 343 1HE LYS 46 2HE LYS 46 7.842 -11.392 -5.971 344 2HE LYS 46 1HE LYS 46 7.714 -12.220 -7.522 345 1HZ LYS 46 1HZ LYS 46 8.373 -9.367 -7.532 346 2HZ LYS 46 2HZ LYS 46 8.860 -10.589 -8.594 347 3HZ LYS 46 3HZ LYS 46 9.581 -10.458 -7.070 348 H THR 47 H THR 47 3.472 -12.005 -5.605 349 HA THR 47 HA THR 47 1.506 -10.050 -4.727 350 HB THR 47 HB THR 47 1.822 -12.802 -3.531 351 HG1 THR 47 1HG THR 47 -0.095 -11.621 -5.193 352 1HG2 THR 47 1HG2 THR 47 -0.272 -10.837 -2.709 353 2HG2 THR 47 2HG2 THR 47 1.313 -10.850 -1.931 354 3HG2 THR 47 3HG2 THR 47 0.289 -12.286 -1.879 355 HA PRO 48 HA PRO 48 5.255 -9.044 -2.430 356 1HB PRO 48 2HB PRO 48 4.574 -6.535 -1.748 357 2HB PRO 48 1HB PRO 48 5.097 -6.938 -3.388 358 1HG PRO 48 2HG PRO 48 2.329 -6.540 -2.326 359 2HG PRO 48 1HG PRO 48 3.031 -5.981 -3.854 360 1HD PRO 48 2HD PRO 48 1.444 -8.194 -3.631 361 2HD PRO 48 1HD PRO 48 2.665 -7.982 -4.896 362 H ASP 49 H ASP 49 5.695 -8.465 -0.166 363 HA ASP 49 HA ASP 49 3.791 -9.697 1.582 364 1HB ASP 49 2HB ASP 49 6.411 -8.302 2.170 365 2HB ASP 49 1HB ASP 49 5.449 -9.161 3.371 366 H VAL 50 H VAL 50 4.476 -6.427 0.631 367 HA VAL 50 HA VAL 50 2.338 -5.519 2.401 368 HB VAL 50 HB VAL 50 4.331 -5.097 3.710 369 1HG1 VAL 50 1HG1 VAL 50 6.267 -4.182 2.947 370 2HG1 VAL 50 2HG1 VAL 50 5.457 -3.210 1.723 371 3HG1 VAL 50 3HG1 VAL 50 5.706 -4.935 1.455 372 1HG2 VAL 50 1HG2 VAL 50 2.446 -3.387 3.528 373 2HG2 VAL 50 2HG2 VAL 50 3.565 -2.435 2.554 374 3HG2 VAL 50 3HG2 VAL 50 3.972 -2.841 4.222 375 H LEU 51 H LEU 51 1.484 -3.385 1.772 376 HA LEU 51 HA LEU 51 2.340 -2.340 -0.788 377 1HB LEU 51 2HB LEU 51 0.746 -4.245 -1.263 378 2HB LEU 51 1HB LEU 51 -0.507 -3.274 -0.514 379 HG LEU 51 HG LEU 51 0.159 -1.467 -2.243 380 1HD1 LEU 51 1HD1 LEU 51 1.278 -2.124 -4.175 381 2HD1 LEU 51 2HD1 LEU 51 1.107 -3.842 -3.804 382 3HD1 LEU 51 3HD1 LEU 51 2.219 -2.839 -2.868 383 1HD2 LEU 51 1HD2 LEU 51 -1.472 -2.239 -3.749 384 2HD2 LEU 51 2HD2 LEU 51 -1.937 -2.906 -2.184 385 3HD2 LEU 51 3HD2 LEU 51 -1.137 -3.929 -3.377 386 H LEU 52 H LEU 52 2.410 -0.242 -0.519 387 HA LEU 52 HA LEU 52 0.446 1.063 1.231 388 1HB LEU 52 2HB LEU 52 3.163 1.316 1.173 389 2HB LEU 52 1HB LEU 52 2.679 2.651 0.147 390 HG LEU 52 HG LEU 52 1.631 2.242 2.942 391 1HD1 LEU 52 1HD1 LEU 52 3.190 4.314 3.279 392 2HD1 LEU 52 2HD1 LEU 52 4.065 3.617 1.916 393 3HD1 LEU 52 3HD1 LEU 52 3.835 2.677 3.392 394 1HD2 LEU 52 1HD2 LEU 52 0.181 3.814 2.329 395 2HD2 LEU 52 2HD2 LEU 52 0.981 4.027 0.770 396 3HD2 LEU 52 3HD2 LEU 52 1.543 4.923 2.183 397 H SER 53 H SER 53 -1.246 1.970 0.237 398 HA SER 53 HA SER 53 -0.898 2.906 -2.536 399 1HB SER 53 2HB SER 53 -3.371 1.866 -1.142 400 2HB SER 53 1HB SER 53 -3.357 2.557 -2.761 401 HG SER 53 HG SER 53 -3.086 0.478 -3.194 402 H ASP 54 H ASP 54 -1.944 4.821 -3.206 403 HA ASP 54 HA ASP 54 -2.096 6.842 -1.140 404 1HB ASP 54 2HB ASP 54 -1.121 7.035 -3.573 405 2HB ASP 54 1HB ASP 54 -2.797 7.356 -4.008 406 H ILE 55 H ILE 55 -3.996 8.536 -1.507 407 HA ILE 55 HA ILE 55 -6.499 7.283 -2.217 408 HB ILE 55 HB ILE 55 -6.260 6.544 0.074 409 1HG1 ILE 55 2HG1 ILE 55 -8.319 8.641 0.417 410 2HG1 ILE 55 1HG1 ILE 55 -8.479 7.592 -0.985 411 1HG2 ILE 55 1HG2 ILE 55 -6.452 8.335 1.890 412 2HG2 ILE 55 2HG2 ILE 55 -5.826 9.437 0.667 413 3HG2 ILE 55 3HG2 ILE 55 -4.883 8.039 1.157 414 1HD1 ILE 55 1HD1 ILE 55 -8.890 7.017 1.846 415 2HD1 ILE 55 2HD1 ILE 55 -7.977 5.787 0.972 416 3HD1 ILE 55 3HD1 ILE 55 -9.582 6.256 0.415 417 H ARG 56 H ARG 56 -5.956 9.049 -3.762 418 HA ARG 56 HA ARG 56 -7.747 11.147 -3.516 419 1HB ARG 56 2HB ARG 56 -6.150 13.083 -3.348 420 2HB ARG 56 1HB ARG 56 -6.367 12.177 -1.859 421 1HG ARG 56 2HG ARG 56 -4.244 10.906 -2.575 422 2HG ARG 56 1HG ARG 56 -4.000 12.251 -3.690 423 1HD ARG 56 2HD ARG 56 -4.660 13.254 -1.081 424 2HD ARG 56 1HD ARG 56 -3.317 12.118 -0.962 425 HE ARG 56 HE ARG 56 -2.979 14.028 -3.072 426 1HH1 ARG 56 1HH1 ARG 56 -2.600 13.503 0.359 427 2HH1 ARG 56 2HH1 ARG 56 -1.343 14.682 0.528 428 1HH2 ARG 56 1HH2 ARG 56 -1.312 15.577 -2.849 429 2HH2 ARG 56 2HH2 ARG 56 -0.609 15.854 -1.289 430 H MET 57 H MET 57 -7.337 9.446 -5.509 431 HA MET 57 HA MET 57 -6.667 11.177 -7.698 432 1HB MET 57 2HB MET 57 -4.459 10.157 -6.894 433 2HB MET 57 1HB MET 57 -5.053 8.640 -7.535 434 1HG MET 57 2HG MET 57 -5.248 9.649 -9.753 435 2HG MET 57 1HG MET 57 -4.630 11.167 -9.103 436 1HE MET 57 1HE MET 57 -1.483 11.400 -8.953 437 2HE MET 57 2HE MET 57 -2.860 11.812 -9.975 438 3HE MET 57 3HE MET 57 -1.505 10.901 -10.644 439 HA PRO 58 HA PRO 58 -8.345 7.006 -9.543 440 1HB PRO 58 2HB PRO 58 -9.068 5.097 -7.711 441 2HB PRO 58 1HB PRO 58 -7.501 5.137 -8.528 442 1HG PRO 58 2HG PRO 58 -8.239 6.154 -5.806 443 2HG PRO 58 1HG PRO 58 -6.825 5.198 -6.296 444 1HD PRO 58 2HD PRO 58 -6.616 7.827 -5.930 445 2HD PRO 58 1HD PRO 58 -5.768 7.024 -7.266 446 H GLY 59 H GLY 59 -10.552 5.589 -8.884 447 1HA GLY 59 2HA GLY 59 -12.605 7.472 -8.944 448 2HA GLY 59 1HA GLY 59 -12.817 5.765 -8.591 449 H MET 60 H MET 60 -12.572 5.070 -6.357 450 HA MET 60 HA MET 60 -13.842 6.919 -4.570 451 1HB MET 60 2HB MET 60 -13.375 4.064 -4.694 452 2HB MET 60 1HB MET 60 -13.058 4.684 -3.081 453 1HG MET 60 2HG MET 60 -15.239 4.442 -2.753 454 2HG MET 60 1HG MET 60 -15.408 5.913 -3.712 455 1HE MET 60 1HE MET 60 -16.104 1.664 -4.398 456 2HE MET 60 2HE MET 60 -17.623 2.483 -4.028 457 3HE MET 60 3HE MET 60 -16.230 2.686 -2.967 458 H ASP 61 H ASP 61 -11.665 8.234 -5.087 459 HA ASP 61 HA ASP 61 -9.835 9.269 -4.249 460 1HB ASP 61 2HB ASP 61 -11.484 8.522 -1.976 461 2HB ASP 61 1HB ASP 61 -9.786 8.642 -1.539 462 H GLY 62 H GLY 62 -9.961 6.362 -2.188 463 1HA GLY 62 2HA GLY 62 -7.520 5.356 -3.414 464 2HA GLY 62 1HA GLY 62 -7.393 5.834 -1.730 465 H LEU 63 H LEU 63 -10.065 4.957 -1.018 466 HA LEU 63 HA LEU 63 -9.458 2.303 -0.324 467 1HB LEU 63 2HB LEU 63 -12.302 3.182 -0.391 468 2HB LEU 63 1HB LEU 63 -11.455 2.234 0.815 469 HG LEU 63 HG LEU 63 -10.192 4.567 1.172 470 1HD1 LEU 63 1HD1 LEU 63 -11.629 6.447 0.966 471 2HD1 LEU 63 2HD1 LEU 63 -12.975 5.441 0.435 472 3HD1 LEU 63 3HD1 LEU 63 -11.572 5.657 -0.608 473 1HD2 LEU 63 1HD2 LEU 63 -12.318 4.980 2.791 474 2HD2 LEU 63 2HD2 LEU 63 -11.018 3.839 3.116 475 3HD2 LEU 63 3HD2 LEU 63 -12.523 3.272 2.396 476 H ALA 64 H ALA 64 -10.770 3.683 -3.173 477 HA ALA 64 HA ALA 64 -12.363 1.653 -4.211 478 1HB ALA 64 1HB ALA 64 -10.607 2.835 -6.213 479 2HB ALA 64 2HB ALA 64 -11.316 4.041 -5.141 480 3HB ALA 64 3HB ALA 64 -12.361 2.944 -6.044 481 H LEU 65 H LEU 65 -8.895 2.000 -4.056 482 HA LEU 65 HA LEU 65 -8.110 -0.089 -5.742 483 1HB LEU 65 2HB LEU 65 -6.605 0.663 -3.256 484 2HB LEU 65 1HB LEU 65 -5.969 0.154 -4.811 485 HG LEU 65 HG LEU 65 -7.259 2.810 -4.198 486 1HD1 LEU 65 1HD1 LEU 65 -5.147 2.983 -3.323 487 2HD1 LEU 65 2HD1 LEU 65 -4.902 3.539 -4.976 488 3HD1 LEU 65 3HD1 LEU 65 -4.444 1.898 -4.522 489 1HD2 LEU 65 1HD2 LEU 65 -6.144 3.127 -6.617 490 2HD2 LEU 65 2HD2 LEU 65 -7.835 2.691 -6.366 491 3HD2 LEU 65 3HD2 LEU 65 -6.645 1.439 -6.725 492 H LEU 66 H LEU 66 -8.379 -0.071 -2.187 493 HA LEU 66 HA LEU 66 -7.826 -2.691 -1.631 494 1HB LEU 66 2HB LEU 66 -9.949 -0.955 -0.365 495 2HB LEU 66 1HB LEU 66 -9.328 -2.441 0.330 496 HG LEU 66 HG LEU 66 -7.391 -0.280 -0.350 497 1HD1 LEU 66 1HD1 LEU 66 -9.398 0.699 0.891 498 2HD1 LEU 66 2HD1 LEU 66 -7.798 0.965 1.583 499 3HD1 LEU 66 3HD1 LEU 66 -8.859 -0.268 2.264 500 1HD2 LEU 66 1HD2 LEU 66 -7.068 -1.561 2.190 501 2HD2 LEU 66 2HD2 LEU 66 -6.024 -1.595 0.775 502 3HD2 LEU 66 3HD2 LEU 66 -7.320 -2.776 0.936 503 H LYS 67 H LYS 67 -10.916 -1.331 -2.688 504 HA LYS 67 HA LYS 67 -12.546 -3.568 -2.535 505 1HB LYS 67 2HB LYS 67 -12.941 -1.069 -3.399 506 2HB LYS 67 1HB LYS 67 -12.767 -1.854 -4.962 507 1HG LYS 67 2HG LYS 67 -14.994 -2.096 -4.747 508 2HG LYS 67 1HG LYS 67 -14.518 -3.531 -3.835 509 1HD LYS 67 2HD LYS 67 -14.715 -0.959 -2.365 510 2HD LYS 67 1HD LYS 67 -16.220 -1.734 -2.864 511 1HE LYS 67 2HE LYS 67 -16.028 -3.337 -1.317 512 2HE LYS 67 1HE LYS 67 -14.318 -3.590 -1.668 513 1HZ LYS 67 1HZ LYS 67 -14.830 -2.764 0.615 514 2HZ LYS 67 2HZ LYS 67 -15.322 -1.303 -0.073 515 3HZ LYS 67 3HZ LYS 67 -13.721 -1.819 -0.243 516 H GLN 68 H GLN 68 -10.642 -2.487 -5.338 517 HA GLN 68 HA GLN 68 -11.111 -4.820 -6.876 518 1HB GLN 68 2HB GLN 68 -8.760 -2.960 -7.185 519 2HB GLN 68 1HB GLN 68 -9.529 -3.942 -8.421 520 1HG GLN 68 2HG GLN 68 -10.910 -1.667 -7.031 521 2HG GLN 68 1HG GLN 68 -9.993 -1.484 -8.525 522 1HE2 GLN 68 1HE2 GLN 68 -12.655 -0.826 -8.370 523 2HE2 GLN 68 2HE2 GLN 68 -13.577 -1.930 -9.326 524 H ILE 69 H ILE 69 -8.616 -3.850 -4.614 525 HA ILE 69 HA ILE 69 -6.759 -5.873 -5.207 526 HB ILE 69 HB ILE 69 -7.185 -4.250 -2.704 527 1HG1 ILE 69 2HG1 ILE 69 -5.018 -4.075 -4.799 528 2HG1 ILE 69 1HG1 ILE 69 -6.489 -3.110 -4.841 529 1HG2 ILE 69 1HG2 ILE 69 -4.584 -5.590 -3.187 530 2HG2 ILE 69 2HG2 ILE 69 -5.900 -6.583 -2.572 531 3HG2 ILE 69 3HG2 ILE 69 -5.374 -5.164 -1.671 532 1HD1 ILE 69 1HD1 ILE 69 -4.062 -2.739 -3.310 533 2HD1 ILE 69 2HD1 ILE 69 -5.510 -2.676 -2.305 534 3HD1 ILE 69 3HD1 ILE 69 -5.351 -1.596 -3.689 535 H LYS 70 H LYS 70 -9.492 -5.766 -3.036 536 HA LYS 70 HA LYS 70 -8.897 -8.259 -1.787 537 1HB LYS 70 2HB LYS 70 -11.012 -7.985 -0.647 538 2HB LYS 70 1HB LYS 70 -10.124 -6.466 -0.641 539 1HG LYS 70 2HG LYS 70 -11.537 -5.498 -2.231 540 2HG LYS 70 1HG LYS 70 -12.216 -7.058 -2.702 541 1HD LYS 70 2HD LYS 70 -12.779 -6.920 -0.012 542 2HD LYS 70 1HD LYS 70 -12.982 -5.250 -0.545 543 1HE LYS 70 2HE LYS 70 -14.549 -5.939 -2.246 544 2HE LYS 70 1HE LYS 70 -14.270 -7.637 -1.863 545 1HZ LYS 70 1HZ LYS 70 -16.313 -6.378 -0.886 546 2HZ LYS 70 2HZ LYS 70 -15.195 -5.838 0.263 547 3HZ LYS 70 3HZ LYS 70 -15.468 -7.497 0.063 548 H GLN 71 H GLN 71 -10.715 -7.280 -4.560 549 HA GLN 71 HA GLN 71 -12.381 -9.540 -4.753 550 1HB GLN 71 2HB GLN 71 -11.656 -7.276 -6.489 551 2HB GLN 71 1HB GLN 71 -12.206 -8.725 -7.325 552 1HG GLN 71 2HG GLN 71 -14.312 -8.638 -6.360 553 2HG GLN 71 1HG GLN 71 -13.773 -7.598 -5.042 554 1HE2 GLN 71 1HE2 GLN 71 -12.776 -5.467 -5.940 555 2HE2 GLN 71 2HE2 GLN 71 -13.754 -4.648 -7.104 556 H ARG 72 H ARG 72 -9.327 -8.797 -6.353 557 HA ARG 72 HA ARG 72 -9.251 -11.465 -7.495 558 1HB ARG 72 2HB ARG 72 -7.602 -8.997 -7.877 559 2HB ARG 72 1HB ARG 72 -7.036 -10.552 -8.472 560 1HG ARG 72 2HG ARG 72 -9.739 -10.190 -9.294 561 2HG ARG 72 1HG ARG 72 -8.820 -8.741 -9.702 562 1HD ARG 72 2HD ARG 72 -7.483 -11.295 -10.301 563 2HD ARG 72 1HD ARG 72 -8.937 -10.966 -11.242 564 HE ARG 72 HE ARG 72 -7.363 -8.668 -11.286 565 1HH1 ARG 72 1HH1 ARG 72 -7.216 -11.963 -12.428 566 2HH1 ARG 72 2HH1 ARG 72 -6.210 -11.579 -13.784 567 1HH2 ARG 72 1HH2 ARG 72 -6.046 -8.163 -13.076 568 2HH2 ARG 72 2HH2 ARG 72 -5.551 -9.424 -14.156 569 H HIS 73 H HIS 73 -7.360 -9.541 -5.245 570 HA HIS 73 HA HIS 73 -5.594 -11.792 -4.723 571 1HB HIS 73 2HB HIS 73 -5.431 -9.213 -3.208 572 2HB HIS 73 1HB HIS 73 -4.132 -10.289 -3.727 573 HD1 HIS 73 1HD HIS 73 -4.281 -10.442 -6.624 574 HD2 HIS 73 2HD HIS 73 -5.263 -6.932 -4.642 575 HE1 HIS 73 1HE HIS 73 -4.104 -8.628 -8.351 576 HE2 HIS 73 2HE HIS 73 -4.875 -6.542 -7.166 577 HA PRO 74 HA PRO 74 -7.705 -13.193 -1.144 578 1HB PRO 74 2HB PRO 74 -5.644 -14.349 0.216 579 2HB PRO 74 1HB PRO 74 -6.419 -15.070 -1.196 580 1HG PRO 74 2HG PRO 74 -3.813 -13.663 -0.973 581 2HG PRO 74 1HG PRO 74 -4.290 -14.990 -2.040 582 1HD PRO 74 2HD PRO 74 -4.079 -12.338 -2.796 583 2HD PRO 74 1HD PRO 74 -5.018 -13.572 -3.657 584 H MET 75 H MET 75 -4.546 -12.470 0.311 585 HA MET 75 HA MET 75 -5.883 -10.488 2.013 586 1HB MET 75 2HB MET 75 -3.997 -12.687 2.811 587 2HB MET 75 1HB MET 75 -4.279 -11.283 3.834 588 1HG MET 75 2HG MET 75 -6.245 -12.048 4.541 589 2HG MET 75 1HG MET 75 -6.738 -12.544 2.923 590 1HE MET 75 1HE MET 75 -6.783 -15.145 6.020 591 2HE MET 75 2HE MET 75 -7.787 -15.259 4.575 592 3HE MET 75 3HE MET 75 -7.569 -13.703 5.379 593 H LEU 76 H LEU 76 -4.559 -9.698 -0.251 594 HA LEU 76 HA LEU 76 -1.842 -9.102 0.080 595 1HB LEU 76 2HB LEU 76 -3.449 -8.850 -1.990 596 2HB LEU 76 1HB LEU 76 -3.665 -7.222 -1.371 597 HG LEU 76 HG LEU 76 -1.919 -7.613 -3.209 598 1HD1 LEU 76 1HD1 LEU 76 -0.705 -6.198 -0.906 599 2HD1 LEU 76 2HD1 LEU 76 -2.300 -5.679 -1.454 600 3HD1 LEU 76 3HD1 LEU 76 -0.936 -5.672 -2.575 601 1HD2 LEU 76 1HD2 LEU 76 -0.942 -9.474 -1.455 602 2HD2 LEU 76 2HD2 LEU 76 0.120 -8.093 -1.173 603 3HD2 LEU 76 3HD2 LEU 76 -0.048 -8.764 -2.794 604 HA PRO 77 HA PRO 77 -2.409 -6.249 3.552 605 1HB PRO 77 2HB PRO 77 0.523 -5.960 3.140 606 2HB PRO 77 1HB PRO 77 -0.372 -6.347 4.615 607 1HG PRO 77 2HG PRO 77 0.997 -8.240 3.356 608 2HG PRO 77 1HG PRO 77 -0.599 -8.595 4.040 609 1HD PRO 77 2HD PRO 77 0.159 -8.044 1.191 610 2HD PRO 77 1HD PRO 77 -0.935 -9.282 1.844 611 H VAL 78 H VAL 78 -3.259 -4.308 3.010 612 HA VAL 78 HA VAL 78 -1.709 -2.584 1.188 613 HB VAL 78 HB VAL 78 -4.649 -2.259 1.711 614 1HG1 VAL 78 1HG1 VAL 78 -4.114 -1.389 -0.827 615 2HG1 VAL 78 2HG1 VAL 78 -2.638 -0.958 0.036 616 3HG1 VAL 78 3HG1 VAL 78 -4.197 -0.365 0.607 617 1HG2 VAL 78 1HG2 VAL 78 -5.254 -3.792 0.170 618 2HG2 VAL 78 2HG2 VAL 78 -3.707 -4.525 0.586 619 3HG2 VAL 78 3HG2 VAL 78 -3.837 -3.496 -0.837 620 H ILE 79 H ILE 79 -1.613 -0.353 1.633 621 HA ILE 79 HA ILE 79 -2.472 0.510 4.299 622 HB ILE 79 HB ILE 79 0.272 1.122 3.226 623 1HG1 ILE 79 2HG1 ILE 79 0.357 -0.460 5.611 624 2HG1 ILE 79 1HG1 ILE 79 -0.600 -1.306 4.398 625 1HG2 ILE 79 1HG2 ILE 79 0.640 2.339 5.109 626 2HG2 ILE 79 2HG2 ILE 79 -0.483 1.388 6.081 627 3HG2 ILE 79 3HG2 ILE 79 -1.097 2.584 4.939 628 1HD1 ILE 79 1HD1 ILE 79 1.558 -0.428 2.962 629 2HD1 ILE 79 2HD1 ILE 79 1.342 -2.043 3.629 630 3HD1 ILE 79 3HD1 ILE 79 2.262 -0.836 4.527 631 H ILE 80 H ILE 80 -3.762 2.177 3.915 632 HA ILE 80 HA ILE 80 -3.254 3.899 1.616 633 HB ILE 80 HB ILE 80 -5.618 4.046 3.472 634 1HG1 ILE 80 2HG1 ILE 80 -5.374 1.747 2.593 635 2HG1 ILE 80 1HG1 ILE 80 -6.784 2.556 1.918 636 1HG2 ILE 80 1HG2 ILE 80 -6.094 4.619 0.696 637 2HG2 ILE 80 2HG2 ILE 80 -4.766 5.606 1.305 638 3HG2 ILE 80 3HG2 ILE 80 -6.334 5.647 2.105 639 1HD1 ILE 80 1HD1 ILE 80 -4.973 3.170 0.042 640 2HD1 ILE 80 2HD1 ILE 80 -5.973 1.718 -0.004 641 3HD1 ILE 80 3HD1 ILE 80 -4.320 1.632 0.604 642 H MET 81 H MET 81 -2.837 6.080 1.754 643 HA MET 81 HA MET 81 -1.511 6.951 4.108 644 1HB MET 81 2HB MET 81 -1.188 9.077 2.889 645 2HB MET 81 1HB MET 81 -0.695 7.663 1.970 646 1HG MET 81 2HG MET 81 -1.922 8.384 0.293 647 2HG MET 81 1HG MET 81 -3.357 8.121 1.276 648 1HE MET 81 1HE MET 81 -0.395 10.233 0.807 649 2HE MET 81 2HE MET 81 -0.779 11.683 1.733 650 3HE MET 81 3HE MET 81 -1.095 11.635 -0.001 651 H THR 82 H THR 82 -4.756 7.408 2.926 652 HA THR 82 HA THR 82 -5.409 8.774 5.409 653 HB THR 82 HB THR 82 -6.361 9.970 2.812 654 HG1 THR 82 1HG THR 82 -4.768 11.532 3.088 655 1HG2 THR 82 1HG2 THR 82 -7.770 10.813 4.393 656 2HG2 THR 82 2HG2 THR 82 -6.461 11.995 4.461 657 3HG2 THR 82 3HG2 THR 82 -6.564 10.721 5.677 658 H ALA 83 H ALA 83 -7.814 8.962 5.707 659 HA ALA 83 HA ALA 83 -9.224 6.837 4.229 660 1HB ALA 83 1HB ALA 83 -9.924 7.193 7.074 661 2HB ALA 83 2HB ALA 83 -8.363 6.446 6.732 662 3HB ALA 83 3HB ALA 83 -9.844 5.727 6.096 663 H HIS 84 H HIS 84 -9.372 9.631 3.711 664 HA HIS 84 HA HIS 84 -11.848 10.572 4.894 665 1HB HIS 84 2HB HIS 84 -11.467 12.532 3.320 666 2HB HIS 84 1HB HIS 84 -10.225 12.271 4.538 667 HD1 HIS 84 1HD HIS 84 -8.556 13.574 2.993 668 HD2 HIS 84 2HD HIS 84 -10.004 10.018 1.403 669 HE1 HIS 84 1HE HIS 84 -7.040 13.034 1.062 670 HE2 HIS 84 2HE HIS 84 -7.866 10.821 0.190 671 H SER 85 H SER 85 -13.182 11.817 2.934 672 HA SER 85 HA SER 85 -14.663 11.578 1.235 673 1HB SER 85 2HB SER 85 -12.837 11.061 -0.243 674 2HB SER 85 1HB SER 85 -12.753 9.405 0.356 675 HG SER 85 HG SER 85 -14.372 10.483 -1.545 676 H ASP 86 H ASP 86 -13.802 8.139 1.482 677 HA ASP 86 HA ASP 86 -16.342 7.624 2.839 678 1HB ASP 86 2HB ASP 86 -15.868 7.129 0.055 679 2HB ASP 86 1HB ASP 86 -16.076 5.590 0.883 680 H LEU 87 H LEU 87 -14.901 7.199 4.608 681 HA LEU 87 HA LEU 87 -12.849 5.328 4.659 682 1HB LEU 87 2HB LEU 87 -14.064 6.978 6.482 683 2HB LEU 87 1HB LEU 87 -14.500 5.390 7.081 684 HG LEU 87 HG LEU 87 -11.695 6.389 6.604 685 1HD1 LEU 87 1HD1 LEU 87 -13.120 5.760 9.181 686 2HD1 LEU 87 2HD1 LEU 87 -12.834 7.384 8.555 687 3HD1 LEU 87 3HD1 LEU 87 -11.471 6.358 9.004 688 1HD2 LEU 87 1HD2 LEU 87 -11.407 4.156 6.272 689 2HD2 LEU 87 2HD2 LEU 87 -12.810 3.715 7.243 690 3HD2 LEU 87 3HD2 LEU 87 -11.309 4.203 8.031 691 H ASP 88 H ASP 88 -16.244 4.829 4.458 692 HA ASP 88 HA ASP 88 -16.688 2.406 5.642 693 1HB ASP 88 2HB ASP 88 -18.285 3.924 4.281 694 2HB ASP 88 1HB ASP 88 -17.774 2.968 2.895 695 H ALA 89 H ALA 89 -15.456 2.895 2.325 696 HA ALA 89 HA ALA 89 -15.201 0.210 1.623 697 1HB ALA 89 1HB ALA 89 -15.017 1.778 -0.108 698 2HB ALA 89 2HB ALA 89 -13.408 1.066 0.033 699 3HB ALA 89 3HB ALA 89 -13.733 2.659 0.719 700 H ALA 90 H ALA 90 -13.336 2.067 3.819 701 HA ALA 90 HA ALA 90 -10.937 0.524 3.655 702 1HB ALA 90 1HB ALA 90 -11.036 2.851 4.536 703 2HB ALA 90 2HB ALA 90 -10.223 1.717 5.614 704 3HB ALA 90 3HB ALA 90 -11.875 2.230 5.955 705 H VAL 91 H VAL 91 -13.976 0.194 5.324 706 HA VAL 91 HA VAL 91 -13.109 -1.506 7.394 707 HB VAL 91 HB VAL 91 -15.853 -1.625 6.172 708 1HG1 VAL 91 1HG1 VAL 91 -16.005 -3.230 7.732 709 2HG1 VAL 91 2HG1 VAL 91 -16.056 -1.903 8.891 710 3HG1 VAL 91 3HG1 VAL 91 -14.525 -2.712 8.543 711 1HG2 VAL 91 1HG2 VAL 91 -15.101 0.180 8.452 712 2HG2 VAL 91 2HG2 VAL 91 -16.546 0.212 7.442 713 3HG2 VAL 91 3HG2 VAL 91 -14.999 0.733 6.782 714 H SER 92 H SER 92 -14.545 -2.283 4.229 715 HA SER 92 HA SER 92 -14.383 -5.071 4.559 716 1HB SER 92 2HB SER 92 -14.180 -3.676 1.899 717 2HB SER 92 1HB SER 92 -14.885 -5.253 2.253 718 HG SER 92 HG SER 92 -16.443 -4.025 3.567 719 H ALA 93 H ALA 93 -12.011 -2.676 3.819 720 HA ALA 93 HA ALA 93 -10.111 -4.282 2.518 721 1HB ALA 93 1HB ALA 93 -10.051 -1.790 2.666 722 2HB ALA 93 2HB ALA 93 -8.517 -2.578 3.027 723 3HB ALA 93 3HB ALA 93 -9.522 -1.964 4.340 724 H TYR 94 H TYR 94 -10.828 -3.699 5.886 725 HA TYR 94 HA TYR 94 -8.617 -5.140 6.949 726 1HB TYR 94 2HB TYR 94 -11.264 -4.814 8.353 727 2HB TYR 94 1HB TYR 94 -9.659 -4.934 9.064 728 HD1 TYR 94 1HD TYR 94 -12.206 -2.751 8.758 729 HD2 TYR 94 2HD TYR 94 -8.054 -2.961 7.820 730 HE1 TYR 94 1HE TYR 94 -12.056 -0.298 8.858 731 HE2 TYR 94 2HE TYR 94 -7.903 -0.509 7.914 732 HH TYR 94 HH TYR 94 -10.063 1.484 7.578 733 H GLN 95 H GLN 95 -11.635 -5.984 5.585 734 HA GLN 95 HA GLN 95 -11.815 -8.616 6.720 735 1HB GLN 95 2HB GLN 95 -13.919 -7.909 6.142 736 2HB GLN 95 1HB GLN 95 -13.353 -6.991 4.762 737 1HG GLN 95 2HG GLN 95 -12.930 -9.694 4.116 738 2HG GLN 95 1HG GLN 95 -14.524 -9.601 4.859 739 1HE2 GLN 95 1HE2 GLN 95 -12.746 -7.312 2.824 740 2HE2 GLN 95 2HE2 GLN 95 -13.948 -7.210 1.586 741 H GLN 96 H GLN 96 -10.619 -7.188 3.713 742 HA GLN 96 HA GLN 96 -10.031 -9.751 2.571 743 1HB GLN 96 2HB GLN 96 -9.196 -8.577 0.679 744 2HB GLN 96 1HB GLN 96 -10.628 -7.715 1.222 745 1HG GLN 96 2HG GLN 96 -9.351 -5.896 1.048 746 2HG GLN 96 1HG GLN 96 -8.678 -6.419 2.587 747 1HE2 GLN 96 1HE2 GLN 96 -7.130 -4.845 1.151 748 2HE2 GLN 96 2HE2 GLN 96 -5.838 -5.718 0.408 749 H GLY 97 H GLY 97 -8.427 -7.582 4.697 750 1HA GLY 97 2HA GLY 97 -6.528 -8.610 5.885 751 2HA GLY 97 1HA GLY 97 -5.933 -9.125 4.317 752 H ALA 98 H ALA 98 -7.286 -5.943 4.913 753 HA ALA 98 HA ALA 98 -5.028 -4.620 3.838 754 1HB ALA 98 1HB ALA 98 -7.182 -3.373 5.529 755 2HB ALA 98 2HB ALA 98 -7.402 -3.796 3.833 756 3HB ALA 98 3HB ALA 98 -6.192 -2.599 4.292 757 H PHE 99 H PHE 99 -3.514 -3.226 4.908 758 HA PHE 99 HA PHE 99 -2.652 -4.250 7.430 759 1HB PHE 99 2HB PHE 99 -1.164 -3.423 5.513 760 2HB PHE 99 1HB PHE 99 -1.533 -1.800 6.091 761 HD1 PHE 99 1HD PHE 99 -0.519 -5.071 7.577 762 HD2 PHE 99 2HD PHE 99 0.065 -0.861 7.428 763 HE1 PHE 99 1HE PHE 99 1.282 -5.265 9.243 764 HE2 PHE 99 2HE PHE 99 1.870 -1.046 9.088 765 HZ PHE 99 HZ PHE 99 2.479 -3.249 9.998 766 H ASP 100 H ASP 100 -3.690 -1.013 6.334 767 HA ASP 100 HA ASP 100 -5.357 -0.401 8.439 768 1HB ASP 100 2HB ASP 100 -2.876 -0.627 9.547 769 2HB ASP 100 1HB ASP 100 -2.896 1.083 9.146 770 H TYR 101 H TYR 101 -4.945 2.215 8.980 771 HA TYR 101 HA TYR 101 -4.659 3.553 6.382 772 1HB TYR 101 2HB TYR 101 -7.049 3.366 8.105 773 2HB TYR 101 1HB TYR 101 -6.669 4.988 7.538 774 HD1 TYR 101 1HD TYR 101 -7.379 1.527 6.402 775 HD2 TYR 101 2HD TYR 101 -7.161 5.642 5.338 776 HE1 TYR 101 1HE TYR 101 -8.442 1.021 4.245 777 HE2 TYR 101 2HE TYR 101 -8.232 5.148 3.180 778 HH TYR 101 HH TYR 101 -9.880 2.432 2.519 779 H LEU 102 H LEU 102 -4.085 5.800 6.538 780 HA LEU 102 HA LEU 102 -2.839 6.445 9.117 781 1HB LEU 102 2HB LEU 102 -1.992 6.703 6.376 782 2HB LEU 102 1HB LEU 102 -1.936 8.261 7.179 783 HG LEU 102 HG LEU 102 -0.452 7.397 8.878 784 1HD1 LEU 102 1HD1 LEU 102 -0.148 4.788 7.533 785 2HD1 LEU 102 2HD1 LEU 102 -1.565 5.010 8.558 786 3HD1 LEU 102 3HD1 LEU 102 0.053 5.220 9.227 787 1HD2 LEU 102 1HD2 LEU 102 1.449 6.641 7.375 788 2HD2 LEU 102 2HD2 LEU 102 0.708 8.199 7.015 789 3HD2 LEU 102 3HD2 LEU 102 0.303 6.788 6.042 790 HA PRO 103 HA PRO 103 -5.999 9.603 9.332 791 1HB PRO 103 2HB PRO 103 -5.543 10.302 11.923 792 2HB PRO 103 1HB PRO 103 -6.478 8.884 11.444 793 1HG PRO 103 2HG PRO 103 -3.764 9.053 12.574 794 2HG PRO 103 1HG PRO 103 -4.916 7.712 12.606 795 1HD PRO 103 2HD PRO 103 -2.656 8.001 10.916 796 2HD PRO 103 1HD PRO 103 -3.902 6.744 10.838 797 H LYS 104 H LYS 104 -3.387 10.626 11.500 798 HA LYS 104 HA LYS 104 -3.263 13.147 10.024 799 1HB LYS 104 2HB LYS 104 -3.126 12.443 12.808 800 2HB LYS 104 1HB LYS 104 -1.681 13.332 12.348 801 1HG LYS 104 2HG LYS 104 -2.923 15.203 11.656 802 2HG LYS 104 1HG LYS 104 -4.438 14.299 11.669 803 1HD LYS 104 2HD LYS 104 -4.693 15.329 13.668 804 2HD LYS 104 1HD LYS 104 -3.701 13.980 14.230 805 1HE LYS 104 2HE LYS 104 -2.797 16.012 15.126 806 2HE LYS 104 1HE LYS 104 -1.689 15.399 13.897 807 1HZ LYS 104 1HZ LYS 104 -3.151 17.862 13.965 808 2HZ LYS 104 2HZ LYS 104 -3.354 17.034 12.504 809 3HZ LYS 104 3HZ LYS 104 -1.800 17.434 13.040 810 HA PRO 105 HA PRO 105 1.459 12.090 10.492 811 1HB PRO 105 2HB PRO 105 1.958 9.432 11.067 812 2HB PRO 105 1HB PRO 105 2.014 10.747 12.244 813 1HG PRO 105 2HG PRO 105 -0.171 8.789 11.686 814 2HG PRO 105 1HG PRO 105 0.392 9.433 13.241 815 1HD PRO 105 2HD PRO 105 -1.849 10.325 12.079 816 2HD PRO 105 1HD PRO 105 -0.785 11.415 12.987 817 H PHE 106 H PHE 106 2.717 11.421 8.793 818 HA PHE 106 HA PHE 106 1.963 9.257 7.075 819 1HB PHE 106 2HB PHE 106 0.364 10.992 6.319 820 2HB PHE 106 1HB PHE 106 1.702 12.085 5.990 821 HD1 PHE 106 1HD PHE 106 2.277 12.287 3.770 822 HD2 PHE 106 2HD PHE 106 0.766 8.571 5.170 823 HE1 PHE 106 1HE PHE 106 2.454 11.360 1.498 824 HE2 PHE 106 2HE PHE 106 0.946 7.635 2.912 825 HZ PHE 106 HZ PHE 106 1.788 9.028 1.066 826 H ASP 107 H ASP 107 3.456 11.778 5.297 827 HA ASP 107 HA ASP 107 5.539 11.789 4.338 828 1HB ASP 107 2HB ASP 107 7.255 12.525 5.908 829 2HB ASP 107 1HB ASP 107 5.717 13.304 6.265 830 H ILE 108 H ILE 108 7.961 10.913 4.710 831 HA ILE 108 HA ILE 108 7.772 8.129 4.307 832 HB ILE 108 HB ILE 108 9.780 10.128 3.974 833 1HG1 ILE 108 2HG1 ILE 108 10.547 8.668 2.237 834 2HG1 ILE 108 1HG1 ILE 108 9.767 7.283 2.985 835 1HG2 ILE 108 1HG2 ILE 108 10.679 7.601 5.329 836 2HG2 ILE 108 2HG2 ILE 108 10.972 9.263 5.841 837 3HG2 ILE 108 3HG2 ILE 108 11.757 8.635 4.392 838 1HD1 ILE 108 1HD1 ILE 108 7.599 8.123 2.421 839 2HD1 ILE 108 2HD1 ILE 108 8.604 8.150 0.973 840 3HD1 ILE 108 3HD1 ILE 108 8.285 9.644 1.853 841 H ASP 109 H ASP 109 8.937 10.026 7.010 842 HA ASP 109 HA ASP 109 10.059 8.060 8.567 843 1HB ASP 109 2HB ASP 109 8.548 10.542 9.312 844 2HB ASP 109 1HB ASP 109 9.105 9.436 10.561 845 H GLU 110 H GLU 110 6.630 9.073 8.798 846 HA GLU 110 HA GLU 110 5.956 6.851 10.433 847 1HB GLU 110 2HB GLU 110 4.363 9.006 9.099 848 2HB GLU 110 1HB GLU 110 3.548 7.633 9.822 849 1HG GLU 110 2HG GLU 110 5.522 9.224 11.401 850 2HG GLU 110 1HG GLU 110 3.868 9.799 11.186 851 H ALA 111 H ALA 111 5.744 7.560 7.021 852 HA ALA 111 HA ALA 111 4.081 5.407 6.281 853 1HB ALA 111 1HB ALA 111 6.165 6.821 4.622 854 2HB ALA 111 2HB ALA 111 4.481 7.312 4.807 855 3HB ALA 111 3HB ALA 111 4.873 5.790 4.006 856 H VAL 112 H VAL 112 7.631 5.729 6.044 857 HA VAL 112 HA VAL 112 8.079 3.056 5.291 858 HB VAL 112 HB VAL 112 9.993 4.900 6.720 859 1HG1 VAL 112 1HG1 VAL 112 11.514 3.284 6.572 860 2HG1 VAL 112 2HG1 VAL 112 11.169 3.040 4.859 861 3HG1 VAL 112 3HG1 VAL 112 10.220 2.187 6.082 862 1HG2 VAL 112 1HG2 VAL 112 9.625 6.127 4.843 863 2HG2 VAL 112 2HG2 VAL 112 9.079 4.740 3.907 864 3HG2 VAL 112 3HG2 VAL 112 10.802 5.000 4.178 865 H ALA 113 H ALA 113 7.729 4.630 8.350 866 HA ALA 113 HA ALA 113 8.754 2.644 10.057 867 1HB ALA 113 1HB ALA 113 6.485 4.547 10.603 868 2HB ALA 113 2HB ALA 113 8.189 4.983 10.705 869 3HB ALA 113 3HB ALA 113 7.526 3.769 11.796 870 H LEU 114 H LEU 114 5.531 3.290 8.820 871 HA LEU 114 HA LEU 114 4.327 1.060 10.114 872 1HB LEU 114 2HB LEU 114 3.070 3.068 9.734 873 2HB LEU 114 1HB LEU 114 3.369 2.978 8.011 874 HG LEU 114 HG LEU 114 2.044 0.748 8.129 875 1HD1 LEU 114 1HD1 LEU 114 1.385 2.049 10.754 876 2HD1 LEU 114 2HD1 LEU 114 1.778 0.362 10.425 877 3HD1 LEU 114 3HD1 LEU 114 0.218 1.020 9.922 878 1HD2 LEU 114 1HD2 LEU 114 1.114 2.454 6.892 879 2HD2 LEU 114 2HD2 LEU 114 1.039 3.547 8.267 880 3HD2 LEU 114 3HD2 LEU 114 -0.108 2.212 8.140 881 H VAL 115 H VAL 115 5.931 1.535 7.082 882 HA VAL 115 HA VAL 115 4.649 -0.717 5.833 883 HB VAL 115 HB VAL 115 5.580 1.234 4.523 884 1HG1 VAL 115 1HG1 VAL 115 7.797 1.202 5.736 885 2HG1 VAL 115 2HG1 VAL 115 7.874 1.347 3.985 886 3HG1 VAL 115 3HG1 VAL 115 8.212 -0.201 4.759 887 1HG2 VAL 115 1HG2 VAL 115 5.441 -1.537 3.926 888 2HG2 VAL 115 2HG2 VAL 115 6.832 -0.866 3.079 889 3HG2 VAL 115 3HG2 VAL 115 5.232 -0.166 2.837 890 H GLU 116 H GLU 116 7.861 -0.103 7.216 891 HA GLU 116 HA GLU 116 8.894 -2.680 6.730 892 1HB GLU 116 2HB GLU 116 9.598 -0.534 8.723 893 2HB GLU 116 1HB GLU 116 10.456 -2.067 8.670 894 1HG GLU 116 2HG GLU 116 11.026 -1.623 6.308 895 2HG GLU 116 1HG GLU 116 10.251 -0.045 6.453 896 H ARG 117 H ARG 117 7.189 -1.302 9.520 897 HA ARG 117 HA ARG 117 7.407 -3.533 11.203 898 1HB ARG 117 2HB ARG 117 5.357 -1.335 11.023 899 2HB ARG 117 1HB ARG 117 5.284 -2.586 12.257 900 1HG ARG 117 2HG ARG 117 7.538 -1.909 13.016 901 2HG ARG 117 1HG ARG 117 7.505 -0.597 11.837 902 1HD ARG 117 2HD ARG 117 5.283 0.055 12.978 903 2HD ARG 117 1HD ARG 117 5.842 -0.966 14.301 904 HE ARG 117 HE ARG 117 7.950 0.597 13.992 905 1HH1 ARG 117 1HH1 ARG 117 4.559 1.443 14.040 906 2HH1 ARG 117 2HH1 ARG 117 4.840 3.030 14.673 907 1HH2 ARG 117 1HH2 ARG 117 8.313 2.673 14.832 908 2HH2 ARG 117 2HH2 ARG 117 6.970 3.727 15.126 909 H ALA 118 H ALA 118 5.444 -2.921 8.443 910 HA ALA 118 HA ALA 118 3.402 -4.818 8.944 911 1HB ALA 118 1HB ALA 118 2.740 -4.481 6.679 912 2HB ALA 118 2HB ALA 118 4.331 -3.856 6.247 913 3HB ALA 118 3HB ALA 118 3.273 -2.922 7.305 914 H ILE 119 H ILE 119 6.434 -4.936 7.107 915 HA ILE 119 HA ILE 119 6.104 -7.652 6.322 916 HB ILE 119 HB ILE 119 8.674 -6.086 6.428 917 1HG1 ILE 119 2HG1 ILE 119 7.186 -6.295 3.877 918 2HG1 ILE 119 1HG1 ILE 119 6.500 -5.211 5.086 919 1HG2 ILE 119 1HG2 ILE 119 9.182 -7.578 4.435 920 2HG2 ILE 119 2HG2 ILE 119 7.787 -8.537 4.937 921 3HG2 ILE 119 3HG2 ILE 119 9.163 -8.347 6.023 922 1HD1 ILE 119 1HD1 ILE 119 9.380 -5.074 4.277 923 2HD1 ILE 119 2HD1 ILE 119 8.409 -3.865 5.118 924 3HD1 ILE 119 3HD1 ILE 119 8.111 -4.206 3.412 925 H SER 120 H SER 120 7.582 -5.986 8.982 926 HA SER 120 HA SER 120 9.046 -8.219 9.976 927 1HB SER 120 2HB SER 120 9.834 -6.005 10.507 928 2HB SER 120 1HB SER 120 8.288 -5.582 11.241 929 HG SER 120 HG SER 120 8.724 -6.895 12.937 930 H HIS 121 H HIS 121 6.037 -6.603 10.965 931 HA HIS 121 HA HIS 121 5.447 -8.236 13.147 932 1HB HIS 121 2HB HIS 121 3.806 -6.522 11.327 933 2HB HIS 121 1HB HIS 121 2.991 -7.571 12.483 934 HD1 HIS 121 1HD HIS 121 6.163 -6.277 13.750 935 HD2 HIS 121 2HD HIS 121 2.197 -5.041 13.680 936 HE1 HIS 121 1HE HIS 121 5.994 -4.465 15.484 937 HE2 HIS 121 2HE HIS 121 3.569 -3.780 15.475 938 H TYR 122 H TYR 122 5.066 -8.772 9.753 939 HA TYR 122 HA TYR 122 3.345 -11.053 10.077 940 1HB TYR 122 2HB TYR 122 4.376 -9.462 7.836 941 2HB TYR 122 1HB TYR 122 4.216 -11.181 7.492 942 HD1 TYR 122 1HD TYR 122 2.586 -8.168 7.227 943 HD2 TYR 122 2HD TYR 122 1.867 -12.165 8.490 944 HE1 TYR 122 1HE TYR 122 0.179 -7.850 6.840 945 HE2 TYR 122 2HE TYR 122 -0.543 -11.860 8.105 946 HH TYR 122 HH TYR 122 -1.966 -8.855 7.674 947 H GLN 123 H GLN 123 6.675 -10.496 8.964 948 HA GLN 123 HA GLN 123 8.484 -11.865 8.831 949 1HB GLN 123 2HB GLN 123 7.566 -12.103 11.355 950 2HB GLN 123 1HB GLN 123 7.432 -13.777 10.834 951 1HG GLN 123 2HG GLN 123 9.975 -12.538 10.132 952 2HG GLN 123 1HG GLN 123 9.670 -12.599 11.867 953 1HE2 GLN 123 1HE2 GLN 123 11.155 -14.176 9.497 954 2HE2 GLN 123 2HE2 GLN 123 11.044 -15.803 10.067 955 H GLU 124 H GLU 124 9.152 -14.261 8.503 956 HA GLU 124 HA GLU 124 7.014 -15.819 7.250 957 1HB GLU 124 2HB GLU 124 9.445 -14.722 5.883 958 2HB GLU 124 1HB GLU 124 8.735 -16.233 5.333 959 1HG GLU 124 2HG GLU 124 6.858 -13.993 5.684 960 2HG GLU 124 1HG GLU 124 8.048 -13.806 4.397 Start of MODEL 8 1 1H MET 1 1HT MET 1 13.344 -17.153 5.633 2 2H MET 1 2HT MET 1 12.184 -16.615 6.775 3 3H MET 1 3HT MET 1 13.847 -16.668 7.197 4 HA MET 1 HA MET 1 12.823 -14.454 6.627 5 1HB MET 1 2HB MET 1 15.349 -15.599 5.449 6 2HB MET 1 1HB MET 1 14.970 -13.885 5.358 7 1HG MET 1 2HG MET 1 15.997 -13.681 7.312 8 2HG MET 1 1HG MET 1 14.599 -14.488 8.023 9 1HE MET 1 1HE MET 1 16.506 -16.819 10.041 10 2HE MET 1 2HE MET 1 15.367 -15.481 9.882 11 3HE MET 1 3HE MET 1 17.098 -15.160 9.971 12 H GLN 2 H GLN 2 11.184 -13.940 5.304 13 HA GLN 2 HA GLN 2 10.749 -15.005 2.741 14 1HB GLN 2 2HB GLN 2 9.435 -13.210 4.504 15 2HB GLN 2 1HB GLN 2 9.565 -12.405 2.947 16 1HG GLN 2 2HG GLN 2 8.563 -15.215 3.114 17 2HG GLN 2 1HG GLN 2 7.493 -13.860 3.467 18 1HE2 GLN 2 1HE2 GLN 2 7.038 -15.630 1.388 19 2HE2 GLN 2 2HE2 GLN 2 7.213 -14.792 -0.113 20 H ARG 3 H ARG 3 10.794 -13.863 0.682 21 HA ARG 3 HA ARG 3 13.306 -12.821 0.073 22 1HB ARG 3 2HB ARG 3 11.908 -13.871 -1.612 23 2HB ARG 3 1HB ARG 3 10.710 -12.599 -1.453 24 1HG ARG 3 2HG ARG 3 11.762 -11.851 -3.308 25 2HG ARG 3 1HG ARG 3 12.792 -11.083 -2.103 26 1HD ARG 3 2HD ARG 3 13.748 -13.728 -2.548 27 2HD ARG 3 1HD ARG 3 13.509 -12.955 -4.111 28 HE ARG 3 HE ARG 3 15.256 -11.953 -1.962 29 1HH1 ARG 3 1HH1 ARG 3 14.321 -12.036 -5.334 30 2HH1 ARG 3 2HH1 ARG 3 15.689 -11.119 -5.859 31 1HH2 ARG 3 1HH2 ARG 3 17.055 -10.749 -2.667 32 2HH2 ARG 3 2HH2 ARG 3 17.238 -10.390 -4.352 33 H GLY 4 H GLY 4 10.488 -11.261 1.287 34 1HA GLY 4 2HA GLY 4 10.149 -9.105 2.007 35 2HA GLY 4 1HA GLY 4 11.873 -8.847 1.811 36 H ILE 5 H ILE 5 8.856 -9.062 -0.036 37 HA ILE 5 HA ILE 5 9.980 -7.136 -1.963 38 HB ILE 5 HB ILE 5 7.607 -8.939 -2.409 39 1HG1 ILE 5 2HG1 ILE 5 9.585 -9.920 -4.018 40 2HG1 ILE 5 1HG1 ILE 5 10.497 -9.473 -2.579 41 1HG2 ILE 5 1HG2 ILE 5 7.308 -7.706 -4.222 42 2HG2 ILE 5 2HG2 ILE 5 8.889 -8.224 -4.808 43 3HG2 ILE 5 3HG2 ILE 5 8.744 -6.750 -3.854 44 1HD1 ILE 5 1HD1 ILE 5 9.552 -11.083 -1.314 45 2HD1 ILE 5 2HD1 ILE 5 9.349 -11.852 -2.889 46 3HD1 ILE 5 3HD1 ILE 5 8.001 -10.986 -2.148 47 H VAL 6 H VAL 6 9.304 -5.122 -1.582 48 HA VAL 6 HA VAL 6 6.576 -4.735 -0.546 49 HB VAL 6 HB VAL 6 8.233 -3.763 0.920 50 1HG1 VAL 6 1HG1 VAL 6 10.125 -2.851 0.217 51 2HG1 VAL 6 2HG1 VAL 6 9.257 -1.664 -0.755 52 3HG1 VAL 6 3HG1 VAL 6 9.646 -3.240 -1.432 53 1HG2 VAL 6 1HG2 VAL 6 6.060 -2.466 -0.036 54 2HG2 VAL 6 2HG2 VAL 6 7.327 -1.275 -0.344 55 3HG2 VAL 6 3HG2 VAL 6 7.067 -1.886 1.292 56 H TRP 7 H TRP 7 5.082 -3.734 -1.760 57 HA TRP 7 HA TRP 7 5.993 -2.460 -4.251 58 1HB TRP 7 2HB TRP 7 3.566 -4.136 -3.660 59 2HB TRP 7 1HB TRP 7 3.591 -3.033 -5.035 60 HD1 TRP 7 HD1 TRP 7 6.964 -4.472 -4.521 61 HE1 TRP 7 1HE TRP 7 7.423 -6.336 -6.219 62 HE3 TRP 7 3HE TRP 7 2.211 -5.151 -6.275 63 HZ2 TRP 7 2HZ TRP 7 5.966 -7.918 -8.041 64 HZ3 TRP 7 3HZ TRP 7 1.831 -6.870 -7.992 65 HH2 TRP 7 HH2 TRP 7 3.671 -8.223 -8.855 66 H VAL 8 H VAL 8 5.206 -0.458 -4.796 67 HA VAL 8 HA VAL 8 3.470 0.851 -2.798 68 HB VAL 8 HB VAL 8 5.388 2.516 -4.346 69 1HG1 VAL 8 1HG1 VAL 8 4.118 2.563 -1.638 70 2HG1 VAL 8 2HG1 VAL 8 4.036 3.759 -2.929 71 3HG1 VAL 8 3HG1 VAL 8 5.521 3.568 -1.997 72 1HG2 VAL 8 1HG2 VAL 8 6.922 2.018 -2.191 73 2HG2 VAL 8 2HG2 VAL 8 7.121 1.203 -3.742 74 3HG2 VAL 8 3HG2 VAL 8 6.221 0.420 -2.443 75 H VAL 9 H VAL 9 1.760 2.009 -3.541 76 HA VAL 9 HA VAL 9 1.576 2.380 -6.459 77 HB VAL 9 HB VAL 9 -1.042 2.370 -5.275 78 1HG1 VAL 9 1HG1 VAL 9 0.386 0.636 -7.280 79 2HG1 VAL 9 2HG1 VAL 9 -0.709 1.977 -7.602 80 3HG1 VAL 9 3HG1 VAL 9 -1.330 0.473 -6.916 81 1HG2 VAL 9 1HG2 VAL 9 -1.004 -0.150 -4.765 82 2HG2 VAL 9 2HG2 VAL 9 -0.403 0.951 -3.530 83 3HG2 VAL 9 3HG2 VAL 9 0.733 0.061 -4.541 84 H ASP 10 H ASP 10 1.883 4.455 -6.885 85 HA ASP 10 HA ASP 10 0.139 6.451 -5.785 86 1HB ASP 10 2HB ASP 10 2.272 6.017 -4.206 87 2HB ASP 10 1HB ASP 10 2.985 7.167 -5.332 88 H ASP 11 H ASP 11 1.822 8.681 -6.420 89 HA ASP 11 HA ASP 11 1.290 8.909 -9.177 90 1HB ASP 11 2HB ASP 11 2.624 10.587 -7.116 91 2HB ASP 11 1HB ASP 11 2.964 10.964 -8.802 92 H ASP 12 H ASP 12 3.736 7.167 -7.764 93 HA ASP 12 HA ASP 12 5.604 6.178 -8.597 94 1HB ASP 12 2HB ASP 12 3.977 6.391 -10.747 95 2HB ASP 12 1HB ASP 12 5.337 7.361 -11.303 96 H SER 13 H SER 13 7.296 7.254 -10.746 97 HA SER 13 HA SER 13 9.305 8.353 -10.653 98 1HB SER 13 2HB SER 13 7.449 9.656 -11.889 99 2HB SER 13 1HB SER 13 7.598 10.807 -10.564 100 HG SER 13 HG SER 13 9.329 10.266 -12.642 101 H SER 14 H SER 14 7.728 10.948 -8.915 102 HA SER 14 HA SER 14 9.841 11.407 -7.180 103 1HB SER 14 2HB SER 14 6.945 12.168 -7.159 104 2HB SER 14 1HB SER 14 7.929 12.507 -5.738 105 HG SER 14 HG SER 14 9.424 13.516 -7.332 106 H ILE 15 H ILE 15 6.757 9.776 -6.422 107 HA ILE 15 HA ILE 15 7.542 8.977 -3.836 108 HB ILE 15 HB ILE 15 5.464 7.608 -5.538 109 1HG1 ILE 15 2HG1 ILE 15 5.074 10.043 -5.501 110 2HG1 ILE 15 1HG1 ILE 15 3.839 9.176 -4.597 111 1HG2 ILE 15 1HG2 ILE 15 4.958 7.904 -2.693 112 2HG2 ILE 15 2HG2 ILE 15 6.434 6.998 -3.026 113 3HG2 ILE 15 3HG2 ILE 15 4.897 6.465 -3.708 114 1HD1 ILE 15 1HD1 ILE 15 4.717 9.874 -2.534 115 2HD1 ILE 15 2HD1 ILE 15 4.728 11.302 -3.568 116 3HD1 ILE 15 3HD1 ILE 15 6.224 10.419 -3.269 117 H ARG 16 H ARG 16 8.096 7.637 -6.968 118 HA ARG 16 HA ARG 16 8.669 4.976 -6.165 119 1HB ARG 16 2HB ARG 16 8.103 5.489 -8.470 120 2HB ARG 16 1HB ARG 16 9.530 6.504 -8.621 121 1HG ARG 16 2HG ARG 16 10.778 4.287 -7.950 122 2HG ARG 16 1HG ARG 16 9.307 3.538 -8.566 123 1HD ARG 16 2HD ARG 16 10.536 3.622 -10.488 124 2HD ARG 16 1HD ARG 16 9.722 5.185 -10.582 125 HE ARG 16 HE ARG 16 12.043 5.693 -9.232 126 1HH1 ARG 16 1HH1 ARG 16 11.256 4.286 -12.328 127 2HH1 ARG 16 2HH1 ARG 16 12.720 4.826 -13.083 128 1HH2 ARG 16 1HH2 ARG 16 13.961 6.398 -10.219 129 2HH2 ARG 16 2HH2 ARG 16 14.257 6.026 -11.883 130 H TRP 17 H TRP 17 10.847 7.652 -7.090 131 HA TRP 17 HA TRP 17 13.225 6.330 -6.509 132 1HB TRP 17 2HB TRP 17 13.117 8.441 -7.778 133 2HB TRP 17 1HB TRP 17 12.706 9.296 -6.293 134 HD1 TRP 17 HD1 TRP 17 15.643 7.283 -7.806 135 HE1 TRP 17 1HE TRP 17 17.824 8.105 -6.711 136 HE3 TRP 17 3HE TRP 17 13.660 10.518 -4.383 137 HZ2 TRP 17 2HZ TRP 17 18.599 9.895 -4.670 138 HZ3 TRP 17 3HZ TRP 17 15.187 11.747 -2.898 139 HH2 TRP 17 HH2 TRP 17 17.606 11.441 -3.037 140 H VAL 18 H VAL 18 11.143 8.253 -4.404 141 HA VAL 18 HA VAL 18 12.894 8.348 -2.215 142 HB VAL 18 HB VAL 18 9.898 8.403 -1.993 143 1HG1 VAL 18 1HG1 VAL 18 11.355 10.265 -0.353 144 2HG1 VAL 18 2HG1 VAL 18 11.954 8.624 -0.103 145 3HG1 VAL 18 3HG1 VAL 18 10.246 8.984 0.120 146 1HG2 VAL 18 1HG2 VAL 18 9.759 10.443 -2.905 147 2HG2 VAL 18 2HG2 VAL 18 11.286 10.032 -3.686 148 3HG2 VAL 18 3HG2 VAL 18 11.282 10.972 -2.195 149 H LEU 19 H LEU 19 10.192 6.176 -2.854 150 HA LEU 19 HA LEU 19 10.748 4.654 -0.494 151 1HB LEU 19 2HB LEU 19 8.541 4.994 -2.223 152 2HB LEU 19 1HB LEU 19 8.941 3.286 -2.223 153 HG LEU 19 HG LEU 19 7.237 3.891 -0.529 154 1HD1 LEU 19 1HD1 LEU 19 9.883 2.790 0.372 155 2HD1 LEU 19 2HD1 LEU 19 8.423 1.910 -0.083 156 3HD1 LEU 19 3HD1 LEU 19 8.468 2.828 1.423 157 1HD2 LEU 19 1HD2 LEU 19 8.964 5.013 1.442 158 2HD2 LEU 19 2HD2 LEU 19 7.483 5.681 0.759 159 3HD2 LEU 19 3HD2 LEU 19 9.034 6.010 -0.010 160 H GLU 20 H GLU 20 11.589 4.401 -3.844 161 HA GLU 20 HA GLU 20 12.080 1.624 -3.855 162 1HB GLU 20 2HB GLU 20 13.122 1.892 -5.944 163 2HB GLU 20 1HB GLU 20 11.808 3.047 -5.897 164 1HG GLU 20 2HG GLU 20 13.452 4.816 -5.376 165 2HG GLU 20 1HG GLU 20 14.734 3.620 -5.545 166 H ARG 21 H ARG 21 14.436 4.279 -3.742 167 HA ARG 21 HA ARG 21 16.614 2.583 -3.146 168 1HB ARG 21 2HB ARG 21 16.267 5.560 -2.821 169 2HB ARG 21 1HB ARG 21 17.786 4.724 -2.531 170 1HG ARG 21 2HG ARG 21 16.544 4.160 -5.129 171 2HG ARG 21 1HG ARG 21 17.058 5.830 -4.890 172 1HD ARG 21 2HD ARG 21 19.295 5.190 -4.509 173 2HD ARG 21 1HD ARG 21 18.858 3.497 -4.305 174 HE ARG 21 HE ARG 21 18.358 3.447 -6.699 175 1HH1 ARG 21 1HH1 ARG 21 20.353 6.075 -5.527 176 2HH1 ARG 21 2HH1 ARG 21 21.077 6.367 -7.071 177 1HH2 ARG 21 1HH2 ARG 21 19.313 3.844 -8.718 178 2HH2 ARG 21 2HH2 ARG 21 20.490 5.106 -8.878 179 H ALA 22 H ALA 22 14.711 4.763 -1.058 180 HA ALA 22 HA ALA 22 16.059 4.341 1.310 181 1HB ALA 22 1HB ALA 22 13.082 4.592 1.292 182 2HB ALA 22 2HB ALA 22 14.106 5.935 0.783 183 3HB ALA 22 3HB ALA 22 14.250 5.286 2.415 184 H LEU 23 H LEU 23 13.166 2.617 0.257 185 HA LEU 23 HA LEU 23 13.275 0.742 2.359 186 1HB LEU 23 2HB LEU 23 11.307 1.358 0.783 187 2HB LEU 23 1HB LEU 23 11.985 0.143 -0.278 188 HG LEU 23 HG LEU 23 11.362 -1.604 1.079 189 1HD1 LEU 23 1HD1 LEU 23 11.447 0.307 3.403 190 2HD1 LEU 23 2HD1 LEU 23 12.536 -1.045 3.076 191 3HD1 LEU 23 3HD1 LEU 23 10.856 -1.353 3.517 192 1HD2 LEU 23 1HD2 LEU 23 9.389 -0.117 0.376 193 2HD2 LEU 23 2HD2 LEU 23 9.304 0.320 2.081 194 3HD2 LEU 23 3HD2 LEU 23 9.109 -1.366 1.593 195 H ALA 24 H ALA 24 14.954 0.990 -0.629 196 HA ALA 24 HA ALA 24 15.660 -1.749 -0.914 197 1HB ALA 24 1HB ALA 24 17.095 -1.090 -2.622 198 2HB ALA 24 2HB ALA 24 17.383 0.494 -1.904 199 3HB ALA 24 3HB ALA 24 15.838 0.138 -2.672 200 H GLY 25 H GLY 25 17.007 1.050 0.738 201 1HA GLY 25 2HA GLY 25 19.480 -0.088 1.485 202 2HA GLY 25 1HA GLY 25 18.664 1.228 2.319 203 H ALA 26 H ALA 26 16.255 -0.530 2.668 204 HA ALA 26 HA ALA 26 17.005 -1.618 5.200 205 1HB ALA 26 1HB ALA 26 14.499 -2.444 4.988 206 2HB ALA 26 2HB ALA 26 14.473 -1.237 3.702 207 3HB ALA 26 3HB ALA 26 14.896 -0.762 5.347 208 H GLY 27 H GLY 27 16.925 -2.805 2.007 209 1HA GLY 27 2HA GLY 27 17.918 -4.901 1.476 210 2HA GLY 27 1HA GLY 27 17.390 -5.511 3.032 211 H LEU 28 H LEU 28 15.145 -3.772 0.953 212 HA LEU 28 HA LEU 28 13.961 -6.344 0.226 213 1HB LEU 28 2HB LEU 28 12.052 -4.153 0.654 214 2HB LEU 28 1HB LEU 28 11.917 -5.856 1.040 215 HG LEU 28 HG LEU 28 13.685 -5.160 2.916 216 1HD1 LEU 28 1HD1 LEU 28 12.503 -2.887 3.698 217 2HD1 LEU 28 2HD1 LEU 28 12.563 -2.660 1.949 218 3HD1 LEU 28 3HD1 LEU 28 14.046 -2.980 2.847 219 1HD2 LEU 28 1HD2 LEU 28 11.026 -5.862 2.824 220 2HD2 LEU 28 2HD2 LEU 28 11.027 -4.358 3.746 221 3HD2 LEU 28 3HD2 LEU 28 12.011 -5.720 4.281 222 H THR 29 H THR 29 12.171 -6.029 -1.466 223 HA THR 29 HA THR 29 13.296 -4.352 -3.591 224 HB THR 29 HB THR 29 11.470 -6.760 -3.644 225 HG1 THR 29 1HG THR 29 14.106 -6.244 -4.529 226 1HG2 THR 29 1HG2 THR 29 11.427 -6.684 -6.031 227 2HG2 THR 29 2HG2 THR 29 12.431 -5.235 -6.051 228 3HG2 THR 29 3HG2 THR 29 10.790 -5.159 -5.414 229 H CYS 30 H CYS 30 12.419 -2.382 -3.572 230 HA CYS 30 HA CYS 30 9.546 -2.104 -3.073 231 1HB CYS 30 2HB CYS 30 11.314 -0.788 -1.768 232 2HB CYS 30 1HB CYS 30 11.520 0.152 -3.237 233 HG CYS 30 HG CYS 30 9.664 1.018 -1.346 234 H THR 31 H THR 31 8.283 -2.029 -4.774 235 HA THR 31 HA THR 31 9.253 -0.717 -7.232 236 HB THR 31 HB THR 31 8.653 -3.265 -7.256 237 HG1 THR 31 1HG THR 31 7.363 -1.538 -9.104 238 1HG2 THR 31 1HG2 THR 31 6.447 -3.915 -7.449 239 2HG2 THR 31 2HG2 THR 31 5.885 -2.263 -7.695 240 3HG2 THR 31 3HG2 THR 31 6.410 -2.781 -6.097 241 H THR 32 H THR 32 7.583 0.528 -8.424 242 HA THR 32 HA THR 32 5.348 1.345 -6.720 243 HB THR 32 HB THR 32 5.715 3.661 -7.202 244 HG1 THR 32 1HG THR 32 6.724 4.168 -8.953 245 1HG2 THR 32 1HG2 THR 32 7.499 2.123 -5.722 246 2HG2 THR 32 2HG2 THR 32 7.238 3.864 -5.616 247 3HG2 THR 32 3HG2 THR 32 8.501 3.222 -6.669 248 H PHE 33 H PHE 33 3.632 2.548 -7.891 249 HA PHE 33 HA PHE 33 3.465 1.833 -10.720 250 1HB PHE 33 2HB PHE 33 1.284 1.239 -8.725 251 2HB PHE 33 1HB PHE 33 1.215 0.961 -10.459 252 HD1 PHE 33 1HD PHE 33 1.981 -1.015 -11.388 253 HD2 PHE 33 2HD PHE 33 3.084 -0.005 -7.415 254 HE1 PHE 33 1HE PHE 33 2.978 -3.244 -11.109 255 HE2 PHE 33 2HE PHE 33 4.099 -2.221 -7.123 256 HZ PHE 33 HZ PHE 33 4.038 -3.856 -8.974 257 H GLU 34 H GLU 34 1.323 2.736 -11.675 258 HA GLU 34 HA GLU 34 1.553 5.492 -11.802 259 1HB GLU 34 2HB GLU 34 -0.053 5.378 -13.440 260 2HB GLU 34 1HB GLU 34 0.451 3.697 -13.380 261 1HG GLU 34 2HG GLU 34 -1.553 3.591 -11.602 262 2HG GLU 34 1HG GLU 34 -2.114 4.941 -12.579 263 H ASN 35 H ASN 35 -0.813 3.617 -9.916 264 HA ASN 35 HA ASN 35 -1.290 5.771 -8.149 265 1HB ASN 35 2HB ASN 35 -3.223 5.262 -10.358 266 2HB ASN 35 1HB ASN 35 -3.855 5.698 -8.775 267 1HD2 ASN 35 1HD2 ASN 35 -3.780 7.101 -11.405 268 2HD2 ASN 35 2HD2 ASN 35 -3.096 8.649 -11.061 269 H GLY 36 H GLY 36 -3.288 3.150 -9.422 270 1HA GLY 36 2HA GLY 36 -2.896 1.579 -7.030 271 2HA GLY 36 1HA GLY 36 -4.486 2.300 -7.146 272 H ASN 37 H ASN 37 -4.721 1.993 -10.037 273 HA ASN 37 HA ASN 37 -5.870 -0.551 -10.076 274 1HB ASN 37 2HB ASN 37 -5.336 1.535 -12.116 275 2HB ASN 37 1HB ASN 37 -5.717 -0.085 -12.693 276 1HD2 ASN 37 1HD2 ASN 37 -7.576 -1.041 -11.129 277 2HD2 ASN 37 2HD2 ASN 37 -8.978 -0.036 -11.060 278 H GLU 38 H GLU 38 -2.663 0.512 -11.124 279 HA GLU 38 HA GLU 38 -1.850 -1.606 -12.664 280 1HB GLU 38 2HB GLU 38 -0.087 -0.481 -10.562 281 2HB GLU 38 1HB GLU 38 0.321 -0.929 -12.213 282 1HG GLU 38 2HG GLU 38 0.331 1.358 -12.299 283 2HG GLU 38 1HG GLU 38 -1.308 0.961 -12.816 284 H VAL 39 H VAL 39 -1.177 -1.366 -9.129 285 HA VAL 39 HA VAL 39 -0.072 -3.837 -8.726 286 HB VAL 39 HB VAL 39 -2.003 -2.460 -6.848 287 1HG1 VAL 39 1HG1 VAL 39 -0.514 -4.950 -6.643 288 2HG1 VAL 39 2HG1 VAL 39 -1.807 -4.327 -5.621 289 3HG1 VAL 39 3HG1 VAL 39 -0.138 -3.829 -5.339 290 1HG2 VAL 39 1HG2 VAL 39 1.005 -2.376 -6.859 291 2HG2 VAL 39 2HG2 VAL 39 -0.098 -1.432 -5.862 292 3HG2 VAL 39 3HG2 VAL 39 -0.009 -1.140 -7.598 293 H LEU 40 H LEU 40 -3.413 -3.069 -9.256 294 HA LEU 40 HA LEU 40 -4.539 -5.519 -8.439 295 1HB LEU 40 2HB LEU 40 -5.649 -3.794 -10.631 296 2HB LEU 40 1HB LEU 40 -6.523 -4.771 -9.462 297 HG LEU 40 HG LEU 40 -5.093 -2.163 -8.954 298 1HD1 LEU 40 1HD1 LEU 40 -7.657 -2.091 -7.918 299 2HD1 LEU 40 2HD1 LEU 40 -7.838 -2.917 -9.467 300 3HD1 LEU 40 3HD1 LEU 40 -7.098 -1.319 -9.394 301 1HD2 LEU 40 1HD2 LEU 40 -4.688 -2.884 -6.890 302 2HD2 LEU 40 2HD2 LEU 40 -5.620 -4.360 -7.144 303 3HD2 LEU 40 3HD2 LEU 40 -6.433 -2.878 -6.636 304 H ALA 41 H ALA 41 -3.341 -4.348 -11.554 305 HA ALA 41 HA ALA 41 -3.866 -6.871 -12.860 306 1HB ALA 41 1HB ALA 41 -2.227 -4.600 -13.942 307 2HB ALA 41 2HB ALA 41 -3.991 -4.612 -13.989 308 3HB ALA 41 3HB ALA 41 -3.076 -5.856 -14.843 309 H ALA 42 H ALA 42 -1.055 -5.015 -11.884 310 HA ALA 42 HA ALA 42 0.980 -6.693 -12.727 311 1HB ALA 42 1HB ALA 42 1.679 -4.607 -11.991 312 2HB ALA 42 2HB ALA 42 2.243 -5.678 -10.710 313 3HB ALA 42 3HB ALA 42 0.778 -4.724 -10.481 314 H LEU 43 H LEU 43 -0.956 -6.844 -9.776 315 HA LEU 43 HA LEU 43 0.573 -8.844 -8.499 316 1HB LEU 43 2HB LEU 43 -2.233 -7.866 -8.162 317 2HB LEU 43 1HB LEU 43 -1.644 -9.242 -7.247 318 HG LEU 43 HG LEU 43 -0.283 -6.570 -7.204 319 1HD1 LEU 43 1HD1 LEU 43 -2.498 -6.194 -6.368 320 2HD1 LEU 43 2HD1 LEU 43 -1.404 -6.299 -4.988 321 3HD1 LEU 43 3HD1 LEU 43 -2.435 -7.670 -5.403 322 1HD2 LEU 43 1HD2 LEU 43 -0.088 -9.126 -5.675 323 2HD2 LEU 43 2HD2 LEU 43 0.469 -7.600 -4.984 324 3HD2 LEU 43 3HD2 LEU 43 1.192 -8.210 -6.470 325 H ALA 44 H ALA 44 -1.754 -8.959 -11.020 326 HA ALA 44 HA ALA 44 -2.827 -11.495 -10.758 327 1HB ALA 44 1HB ALA 44 -3.619 -11.229 -12.868 328 2HB ALA 44 2HB ALA 44 -2.087 -10.616 -13.489 329 3HB ALA 44 3HB ALA 44 -3.143 -9.561 -12.551 330 H SER 45 H SER 45 0.427 -10.640 -11.407 331 HA SER 45 HA SER 45 1.009 -13.397 -12.172 332 1HB SER 45 2HB SER 45 2.215 -10.819 -13.103 333 2HB SER 45 1HB SER 45 3.165 -12.305 -13.151 334 HG SER 45 HG SER 45 0.579 -12.104 -14.284 335 H LYS 46 H LYS 46 1.322 -11.191 -9.689 336 HA LYS 46 HA LYS 46 3.109 -12.879 -8.259 337 1HB LYS 46 2HB LYS 46 4.477 -11.219 -9.837 338 2HB LYS 46 1HB LYS 46 4.218 -10.137 -8.477 339 1HG LYS 46 2HG LYS 46 5.077 -12.607 -7.418 340 2HG LYS 46 1HG LYS 46 6.141 -12.212 -8.772 341 1HD LYS 46 2HD LYS 46 7.099 -10.516 -7.662 342 2HD LYS 46 1HD LYS 46 5.552 -9.927 -7.051 343 1HE LYS 46 2HE LYS 46 5.618 -11.851 -5.408 344 2HE LYS 46 1HE LYS 46 7.289 -12.106 -5.912 345 1HZ LYS 46 1HZ LYS 46 6.198 -9.610 -4.724 346 2HZ LYS 46 2HZ LYS 46 7.799 -9.846 -5.215 347 3HZ LYS 46 3HZ LYS 46 7.170 -10.744 -3.928 348 H THR 47 H THR 47 3.542 -12.079 -6.055 349 HA THR 47 HA THR 47 1.722 -10.008 -5.147 350 HB THR 47 HB THR 47 1.820 -12.801 -4.010 351 HG1 THR 47 1HG THR 47 -0.612 -12.220 -4.520 352 1HG2 THR 47 1HG2 THR 47 -0.028 -10.651 -3.048 353 2HG2 THR 47 2HG2 THR 47 1.559 -10.896 -2.310 354 3HG2 THR 47 3HG2 THR 47 0.368 -12.199 -2.302 355 HA PRO 48 HA PRO 48 5.487 -9.214 -2.831 356 1HB PRO 48 2HB PRO 48 4.890 -6.744 -2.003 357 2HB PRO 48 1HB PRO 48 5.296 -7.067 -3.693 358 1HG PRO 48 2HG PRO 48 2.618 -6.662 -2.433 359 2HG PRO 48 1HG PRO 48 3.228 -6.067 -3.986 360 1HD PRO 48 2HD PRO 48 1.614 -8.285 -3.682 361 2HD PRO 48 1HD PRO 48 2.679 -7.999 -5.071 362 H ASP 49 H ASP 49 5.988 -8.693 -0.545 363 HA ASP 49 HA ASP 49 4.180 -10.063 1.194 364 1HB ASP 49 2HB ASP 49 6.725 -8.545 1.816 365 2HB ASP 49 1HB ASP 49 5.849 -9.560 2.960 366 H VAL 50 H VAL 50 4.764 -6.740 0.386 367 HA VAL 50 HA VAL 50 2.586 -5.954 2.169 368 HB VAL 50 HB VAL 50 4.632 -5.522 3.452 369 1HG1 VAL 50 1HG1 VAL 50 5.919 -5.136 1.194 370 2HG1 VAL 50 2HG1 VAL 50 6.449 -4.357 2.686 371 3HG1 VAL 50 3HG1 VAL 50 5.504 -3.451 1.506 372 1HG2 VAL 50 1HG2 VAL 50 3.417 -2.958 2.430 373 2HG2 VAL 50 2HG2 VAL 50 4.215 -3.202 3.983 374 3HG2 VAL 50 3HG2 VAL 50 2.684 -4.012 3.641 375 H LEU 51 H LEU 51 1.758 -3.731 1.599 376 HA LEU 51 HA LEU 51 2.573 -2.705 -0.984 377 1HB LEU 51 2HB LEU 51 0.981 -4.543 -1.508 378 2HB LEU 51 1HB LEU 51 -0.251 -3.690 -0.597 379 HG LEU 51 HG LEU 51 0.114 -1.745 -2.222 380 1HD1 LEU 51 1HD1 LEU 51 2.216 -2.442 -3.181 381 2HD1 LEU 51 2HD1 LEU 51 0.978 -2.404 -4.437 382 3HD1 LEU 51 3HD1 LEU 51 1.493 -3.947 -3.751 383 1HD2 LEU 51 1HD2 LEU 51 -1.778 -3.486 -2.200 384 2HD2 LEU 51 2HD2 LEU 51 -0.935 -4.206 -3.570 385 3HD2 LEU 51 3HD2 LEU 51 -1.524 -2.548 -3.672 386 H LEU 52 H LEU 52 2.458 -0.587 -1.002 387 HA LEU 52 HA LEU 52 0.818 0.793 1.014 388 1HB LEU 52 2HB LEU 52 3.486 1.055 0.331 389 2HB LEU 52 1HB LEU 52 2.730 2.390 -0.510 390 HG LEU 52 HG LEU 52 2.335 1.921 2.435 391 1HD1 LEU 52 1HD1 LEU 52 4.029 4.059 2.209 392 2HD1 LEU 52 2HD1 LEU 52 4.653 2.951 0.990 393 3HD1 LEU 52 3HD1 LEU 52 4.507 2.423 2.665 394 1HD2 LEU 52 1HD2 LEU 52 1.933 4.291 0.614 395 2HD2 LEU 52 2HD2 LEU 52 1.780 4.337 2.371 396 3HD2 LEU 52 3HD2 LEU 52 0.677 3.348 1.416 397 H SER 53 H SER 53 -1.072 1.553 0.240 398 HA SER 53 HA SER 53 -1.158 2.425 -2.572 399 1HB SER 53 2HB SER 53 -2.773 0.794 -2.510 400 2HB SER 53 1HB SER 53 -3.151 1.075 -0.813 401 HG SER 53 HG SER 53 -3.876 2.737 -3.000 402 H ASP 54 H ASP 54 -1.875 4.421 -3.118 403 HA ASP 54 HA ASP 54 -1.977 6.391 -1.006 404 1HB ASP 54 2HB ASP 54 -2.063 8.029 -2.849 405 2HB ASP 54 1HB ASP 54 -0.736 6.891 -3.053 406 H ILE 55 H ILE 55 -3.712 8.278 -1.783 407 HA ILE 55 HA ILE 55 -6.290 7.228 -2.442 408 HB ILE 55 HB ILE 55 -6.151 6.480 -0.136 409 1HG1 ILE 55 2HG1 ILE 55 -7.982 8.869 -0.282 410 2HG1 ILE 55 1HG1 ILE 55 -8.335 7.315 -1.018 411 1HG2 ILE 55 1HG2 ILE 55 -5.490 9.340 0.441 412 2HG2 ILE 55 2HG2 ILE 55 -4.588 7.886 0.868 413 3HG2 ILE 55 3HG2 ILE 55 -6.112 8.246 1.677 414 1HD1 ILE 55 1HD1 ILE 55 -9.517 7.371 1.005 415 2HD1 ILE 55 2HD1 ILE 55 -8.129 8.001 1.891 416 3HD1 ILE 55 3HD1 ILE 55 -8.119 6.337 1.305 417 H ARG 56 H ARG 56 -8.018 8.992 -2.118 418 HA ARG 56 HA ARG 56 -8.816 10.992 -2.746 419 1HB ARG 56 2HB ARG 56 -7.965 12.950 -1.717 420 2HB ARG 56 1HB ARG 56 -7.759 11.643 -0.567 421 1HG ARG 56 2HG ARG 56 -5.460 11.656 -0.764 422 2HG ARG 56 1HG ARG 56 -5.493 12.442 -2.345 423 1HD ARG 56 2HD ARG 56 -6.175 14.522 -1.354 424 2HD ARG 56 1HD ARG 56 -6.368 13.760 0.220 425 HE ARG 56 HE ARG 56 -3.961 13.507 0.306 426 1HH1 ARG 56 1HH1 ARG 56 -5.191 15.678 -2.147 427 2HH1 ARG 56 2HH1 ARG 56 -3.710 16.560 -2.275 428 1HH2 ARG 56 1HH2 ARG 56 -2.021 14.677 0.129 429 2HH2 ARG 56 2HH2 ARG 56 -1.915 15.996 -0.990 430 H MET 57 H MET 57 -7.564 9.592 -4.654 431 HA MET 57 HA MET 57 -6.780 11.677 -6.498 432 1HB MET 57 2HB MET 57 -4.870 9.726 -5.410 433 2HB MET 57 1HB MET 57 -4.899 9.793 -7.165 434 1HG MET 57 2HG MET 57 -4.451 12.173 -7.107 435 2HG MET 57 1HG MET 57 -4.491 12.154 -5.346 436 1HE MET 57 1HE MET 57 -1.290 12.091 -4.346 437 2HE MET 57 2HE MET 57 -1.879 10.463 -4.011 438 3HE MET 57 3HE MET 57 -2.990 11.831 -3.958 439 HA PRO 58 HA PRO 58 -7.555 7.600 -9.059 440 1HB PRO 58 2HB PRO 58 -8.234 5.395 -7.558 441 2HB PRO 58 1HB PRO 58 -6.603 5.734 -8.145 442 1HG PRO 58 2HG PRO 58 -7.806 6.302 -5.461 443 2HG PRO 58 1HG PRO 58 -6.217 5.612 -5.850 444 1HD PRO 58 2HD PRO 58 -6.429 8.176 -5.176 445 2HD PRO 58 1HD PRO 58 -5.336 7.679 -6.482 446 H GLY 59 H GLY 59 -9.572 5.772 -8.863 447 1HA GLY 59 2HA GLY 59 -11.883 7.254 -9.164 448 2HA GLY 59 1HA GLY 59 -11.852 5.529 -8.834 449 H MET 60 H MET 60 -12.032 4.802 -6.654 450 HA MET 60 HA MET 60 -13.705 6.503 -5.059 451 1HB MET 60 2HB MET 60 -13.363 3.747 -5.313 452 2HB MET 60 1HB MET 60 -12.786 4.103 -3.691 453 1HG MET 60 2HG MET 60 -14.848 4.408 -2.931 454 2HG MET 60 1HG MET 60 -15.259 5.478 -4.270 455 1HE MET 60 1HE MET 60 -15.546 4.678 -6.578 456 2HE MET 60 2HE MET 60 -17.259 4.463 -6.217 457 3HE MET 60 3HE MET 60 -16.367 3.191 -7.051 458 H ASP 61 H ASP 61 -11.744 8.034 -5.111 459 HA ASP 61 HA ASP 61 -10.220 9.239 -3.965 460 1HB ASP 61 2HB ASP 61 -11.740 7.781 -1.909 461 2HB ASP 61 1HB ASP 61 -10.177 8.404 -1.379 462 H GLY 62 H GLY 62 -10.026 6.042 -2.453 463 1HA GLY 62 2HA GLY 62 -7.486 5.446 -3.641 464 2HA GLY 62 1HA GLY 62 -7.351 5.895 -1.945 465 H LEU 63 H LEU 63 -9.937 4.787 -1.223 466 HA LEU 63 HA LEU 63 -9.117 2.175 -0.591 467 1HB LEU 63 2HB LEU 63 -11.997 2.998 -0.556 468 2HB LEU 63 1HB LEU 63 -11.162 1.886 0.509 469 HG LEU 63 HG LEU 63 -9.841 4.134 1.132 470 1HD1 LEU 63 1HD1 LEU 63 -10.932 6.066 0.781 471 2HD1 LEU 63 2HD1 LEU 63 -12.517 5.320 0.959 472 3HD1 LEU 63 3HD1 LEU 63 -11.650 5.184 -0.566 473 1HD2 LEU 63 1HD2 LEU 63 -10.742 2.948 2.893 474 2HD2 LEU 63 2HD2 LEU 63 -12.364 2.945 2.203 475 3HD2 LEU 63 3HD2 LEU 63 -11.714 4.419 2.923 476 H ALA 64 H ALA 64 -10.403 3.461 -3.453 477 HA ALA 64 HA ALA 64 -12.025 1.430 -4.425 478 1HB ALA 64 1HB ALA 64 -10.310 2.398 -6.518 479 2HB ALA 64 2HB ALA 64 -10.784 3.727 -5.459 480 3HB ALA 64 3HB ALA 64 -12.020 2.732 -6.231 481 H LEU 65 H LEU 65 -8.555 1.577 -4.063 482 HA LEU 65 HA LEU 65 -7.842 -0.612 -5.688 483 1HB LEU 65 2HB LEU 65 -6.573 0.644 -3.269 484 2HB LEU 65 1HB LEU 65 -5.863 -0.750 -4.060 485 HG LEU 65 HG LEU 65 -5.933 0.704 -6.202 486 1HD1 LEU 65 1HD1 LEU 65 -7.338 2.485 -5.287 487 2HD1 LEU 65 2HD1 LEU 65 -5.765 3.105 -5.787 488 3HD1 LEU 65 3HD1 LEU 65 -6.105 2.839 -4.078 489 1HD2 LEU 65 1HD2 LEU 65 -3.844 1.998 -5.023 490 2HD2 LEU 65 2HD2 LEU 65 -3.785 0.353 -5.658 491 3HD2 LEU 65 3HD2 LEU 65 -4.074 0.626 -3.941 492 H LEU 66 H LEU 66 -8.414 -0.391 -2.186 493 HA LEU 66 HA LEU 66 -8.064 -2.983 -1.413 494 1HB LEU 66 2HB LEU 66 -10.009 -0.883 -0.521 495 2HB LEU 66 1HB LEU 66 -10.045 -2.478 0.204 496 HG LEU 66 HG LEU 66 -8.750 -1.096 1.639 497 1HD1 LEU 66 1HD1 LEU 66 -7.859 -3.363 1.208 498 2HD1 LEU 66 2HD1 LEU 66 -6.610 -2.200 1.658 499 3HD1 LEU 66 3HD1 LEU 66 -6.804 -2.677 -0.028 500 1HD2 LEU 66 1HD2 LEU 66 -6.795 -0.401 -0.501 501 2HD2 LEU 66 2HD2 LEU 66 -7.172 0.446 1.001 502 3HD2 LEU 66 3HD2 LEU 66 -8.289 0.524 -0.362 503 H LYS 67 H LYS 67 -10.990 -1.586 -2.819 504 HA LYS 67 HA LYS 67 -12.613 -3.856 -2.696 505 1HB LYS 67 2HB LYS 67 -12.583 -1.462 -4.514 506 2HB LYS 67 1HB LYS 67 -13.761 -2.750 -4.728 507 1HG LYS 67 2HG LYS 67 -14.498 -2.408 -2.392 508 2HG LYS 67 1HG LYS 67 -13.386 -1.042 -2.279 509 1HD LYS 67 2HD LYS 67 -14.639 -0.208 -4.411 510 2HD LYS 67 1HD LYS 67 -15.902 -1.318 -3.874 511 1HE LYS 67 2HE LYS 67 -15.274 0.000 -1.563 512 2HE LYS 67 1HE LYS 67 -15.066 1.264 -2.774 513 1HZ LYS 67 1HZ LYS 67 -17.468 -0.319 -3.069 514 2HZ LYS 67 2HZ LYS 67 -17.256 1.356 -3.170 515 3HZ LYS 67 3HZ LYS 67 -17.412 0.613 -1.658 516 H GLN 68 H GLN 68 -10.658 -2.678 -5.452 517 HA GLN 68 HA GLN 68 -11.159 -4.925 -7.084 518 1HB GLN 68 2HB GLN 68 -8.751 -3.103 -7.130 519 2HB GLN 68 1HB GLN 68 -9.281 -4.149 -8.437 520 1HG GLN 68 2HG GLN 68 -10.762 -1.765 -7.352 521 2HG GLN 68 1HG GLN 68 -9.876 -1.843 -8.876 522 1HE2 GLN 68 1HE2 GLN 68 -10.602 -3.908 -10.178 523 2HE2 GLN 68 2HE2 GLN 68 -12.313 -4.044 -10.387 524 H ILE 69 H ILE 69 -8.919 -4.311 -4.506 525 HA ILE 69 HA ILE 69 -7.031 -6.316 -5.050 526 HB ILE 69 HB ILE 69 -7.806 -4.903 -2.515 527 1HG1 ILE 69 2HG1 ILE 69 -5.145 -4.844 -3.909 528 2HG1 ILE 69 1HG1 ILE 69 -6.479 -3.845 -4.482 529 1HG2 ILE 69 1HG2 ILE 69 -6.223 -7.345 -2.785 530 2HG2 ILE 69 2HG2 ILE 69 -6.939 -6.610 -1.352 531 3HG2 ILE 69 3HG2 ILE 69 -5.379 -6.044 -1.947 532 1HD1 ILE 69 1HD1 ILE 69 -6.133 -2.351 -2.882 533 2HD1 ILE 69 2HD1 ILE 69 -4.637 -3.212 -2.513 534 3HD1 ILE 69 3HD1 ILE 69 -6.117 -3.593 -1.631 535 H LYS 70 H LYS 70 -10.056 -6.380 -3.309 536 HA LYS 70 HA LYS 70 -9.677 -9.006 -2.274 537 1HB LYS 70 2HB LYS 70 -11.896 -8.836 -1.414 538 2HB LYS 70 1HB LYS 70 -11.123 -7.270 -1.218 539 1HG LYS 70 2HG LYS 70 -12.347 -6.342 -3.011 540 2HG LYS 70 1HG LYS 70 -12.958 -7.921 -3.504 541 1HD LYS 70 2HD LYS 70 -14.367 -8.069 -1.626 542 2HD LYS 70 1HD LYS 70 -13.518 -6.774 -0.782 543 1HE LYS 70 2HE LYS 70 -14.867 -5.243 -1.658 544 2HE LYS 70 1HE LYS 70 -14.535 -5.817 -3.293 545 1HZ LYS 70 1HZ LYS 70 -16.642 -6.752 -1.431 546 2HZ LYS 70 2HZ LYS 70 -16.214 -7.604 -2.830 547 3HZ LYS 70 3HZ LYS 70 -16.839 -6.039 -2.953 548 H GLN 71 H GLN 71 -11.027 -7.672 -5.160 549 HA GLN 71 HA GLN 71 -12.526 -9.933 -5.935 550 1HB GLN 71 2HB GLN 71 -11.660 -7.408 -7.202 551 2HB GLN 71 1HB GLN 71 -12.016 -8.736 -8.302 552 1HG GLN 71 2HG GLN 71 -14.239 -8.781 -7.757 553 2HG GLN 71 1HG GLN 71 -13.974 -8.092 -6.157 554 1HE2 GLN 71 1HE2 GLN 71 -12.889 -5.796 -6.377 555 2HE2 GLN 71 2HE2 GLN 71 -13.726 -4.726 -7.443 556 H ARG 72 H ARG 72 -9.180 -9.064 -6.316 557 HA ARG 72 HA ARG 72 -8.771 -11.522 -7.874 558 1HB ARG 72 2HB ARG 72 -7.634 -8.832 -8.133 559 2HB ARG 72 1HB ARG 72 -6.459 -10.134 -8.261 560 1HG ARG 72 2HG ARG 72 -8.845 -10.661 -9.823 561 2HG ARG 72 1HG ARG 72 -8.057 -9.151 -10.285 562 1HD ARG 72 2HD ARG 72 -6.333 -10.221 -11.221 563 2HD ARG 72 1HD ARG 72 -6.168 -11.321 -9.857 564 HE ARG 72 HE ARG 72 -7.689 -12.802 -10.896 565 1HH1 ARG 72 1HH1 ARG 72 -6.945 -10.018 -12.872 566 2HH1 ARG 72 2HH1 ARG 72 -7.487 -10.761 -14.337 567 1HH2 ARG 72 1HH2 ARG 72 -8.399 -13.777 -12.829 568 2HH2 ARG 72 2HH2 ARG 72 -8.314 -12.889 -14.314 569 H HIS 73 H HIS 73 -6.994 -9.466 -5.598 570 HA HIS 73 HA HIS 73 -5.294 -11.671 -4.849 571 1HB HIS 73 2HB HIS 73 -5.313 -9.200 -3.205 572 2HB HIS 73 1HB HIS 73 -3.952 -10.131 -3.833 573 HD1 HIS 73 1HD HIS 73 -4.266 -10.010 -6.773 574 HD2 HIS 73 2HD HIS 73 -5.176 -6.775 -4.352 575 HE1 HIS 73 1HE HIS 73 -4.154 -8.000 -8.274 576 HE2 HIS 73 2HE HIS 73 -4.469 -6.041 -6.722 577 HA PRO 74 HA PRO 74 -7.575 -13.181 -1.435 578 1HB PRO 74 2HB PRO 74 -5.572 -14.200 0.101 579 2HB PRO 74 1HB PRO 74 -6.155 -14.963 -1.381 580 1HG PRO 74 2HG PRO 74 -3.693 -13.369 -0.912 581 2HG PRO 74 1HG PRO 74 -3.963 -14.727 -2.013 582 1HD PRO 74 2HD PRO 74 -3.886 -12.062 -2.757 583 2HD PRO 74 1HD PRO 74 -4.637 -13.363 -3.700 584 H MET 75 H MET 75 -4.636 -12.311 0.348 585 HA MET 75 HA MET 75 -6.143 -10.207 1.728 586 1HB MET 75 2HB MET 75 -4.525 -12.324 3.149 587 2HB MET 75 1HB MET 75 -5.421 -11.011 3.899 588 1HG MET 75 2HG MET 75 -7.406 -12.061 3.696 589 2HG MET 75 1HG MET 75 -6.978 -12.805 2.157 590 1HE MET 75 1HE MET 75 -8.639 -14.247 3.556 591 2HE MET 75 2HE MET 75 -8.283 -14.596 5.248 592 3HE MET 75 3HE MET 75 -7.993 -15.823 4.014 593 H LEU 76 H LEU 76 -4.331 -9.562 -0.158 594 HA LEU 76 HA LEU 76 -1.671 -9.276 0.733 595 1HB LEU 76 2HB LEU 76 -2.988 -8.835 -1.611 596 2HB LEU 76 1HB LEU 76 -2.685 -7.194 -1.074 597 HG LEU 76 HG LEU 76 -0.559 -9.305 -1.422 598 1HD1 LEU 76 1HD1 LEU 76 -0.543 -6.972 -3.174 599 2HD1 LEU 76 2HD1 LEU 76 -1.937 -8.028 -3.406 600 3HD1 LEU 76 3HD1 LEU 76 -0.306 -8.679 -3.550 601 1HD2 LEU 76 1HD2 LEU 76 -0.598 -6.709 -0.147 602 2HD2 LEU 76 2HD2 LEU 76 0.554 -6.755 -1.481 603 3HD2 LEU 76 3HD2 LEU 76 0.673 -7.931 -0.173 604 HA PRO 77 HA PRO 77 -2.458 -6.202 3.937 605 1HB PRO 77 2HB PRO 77 0.490 -5.905 3.702 606 2HB PRO 77 1HB PRO 77 -0.503 -6.187 5.137 607 1HG PRO 77 2HG PRO 77 0.966 -8.147 4.081 608 2HG PRO 77 1HG PRO 77 -0.643 -8.466 4.758 609 1HD PRO 77 2HD PRO 77 0.211 -8.260 1.902 610 2HD PRO 77 1HD PRO 77 -0.989 -9.336 2.648 611 H VAL 78 H VAL 78 -3.258 -4.300 3.292 612 HA VAL 78 HA VAL 78 -1.695 -2.682 1.390 613 HB VAL 78 HB VAL 78 -4.607 -2.249 2.001 614 1HG1 VAL 78 1HG1 VAL 78 -4.645 -1.043 -0.044 615 2HG1 VAL 78 2HG1 VAL 78 -3.034 -1.609 -0.483 616 3HG1 VAL 78 3HG1 VAL 78 -3.238 -0.483 0.860 617 1HG2 VAL 78 1HG2 VAL 78 -3.495 -3.971 -0.212 618 2HG2 VAL 78 2HG2 VAL 78 -5.192 -3.601 0.087 619 3HG2 VAL 78 3HG2 VAL 78 -4.290 -4.577 1.242 620 H ILE 79 H ILE 79 -1.291 -0.544 1.794 621 HA ILE 79 HA ILE 79 -2.059 0.492 4.439 622 HB ILE 79 HB ILE 79 0.629 1.017 3.175 623 1HG1 ILE 79 2HG1 ILE 79 0.804 -0.614 5.533 624 2HG1 ILE 79 1HG1 ILE 79 -0.249 -1.405 4.368 625 1HG2 ILE 79 1HG2 ILE 79 0.557 1.251 6.017 626 2HG2 ILE 79 2HG2 ILE 79 -0.779 2.173 5.332 627 3HG2 ILE 79 3HG2 ILE 79 0.873 2.497 4.810 628 1HD1 ILE 79 1HD1 ILE 79 1.450 -1.927 3.023 629 2HD1 ILE 79 2HD1 ILE 79 2.458 -1.602 4.433 630 3HD1 ILE 79 3HD1 ILE 79 2.216 -0.349 3.215 631 H ILE 80 H ILE 80 -3.383 2.161 4.062 632 HA ILE 80 HA ILE 80 -2.965 3.789 1.675 633 HB ILE 80 HB ILE 80 -5.292 3.913 3.583 634 1HG1 ILE 80 2HG1 ILE 80 -5.139 1.671 2.636 635 2HG1 ILE 80 1HG1 ILE 80 -6.481 2.536 1.900 636 1HG2 ILE 80 1HG2 ILE 80 -6.192 5.456 2.231 637 2HG2 ILE 80 2HG2 ILE 80 -5.646 4.641 0.770 638 3HG2 ILE 80 3HG2 ILE 80 -4.545 5.696 1.656 639 1HD1 ILE 80 1HD1 ILE 80 -5.143 2.974 -0.075 640 2HD1 ILE 80 2HD1 ILE 80 -5.232 1.244 0.263 641 3HD1 ILE 80 3HD1 ILE 80 -3.771 2.148 0.664 642 H MET 81 H MET 81 -2.573 5.951 1.686 643 HA MET 81 HA MET 81 -1.195 6.991 3.948 644 1HB MET 81 2HB MET 81 -0.812 8.961 2.584 645 2HB MET 81 1HB MET 81 -0.532 7.500 1.647 646 1HG MET 81 2HG MET 81 -2.637 7.751 0.523 647 2HG MET 81 1HG MET 81 -3.068 9.115 1.551 648 1HE MET 81 1HE MET 81 -1.782 12.084 0.023 649 2HE MET 81 2HE MET 81 -0.786 11.484 1.347 650 3HE MET 81 3HE MET 81 -2.533 11.252 1.384 651 H THR 82 H THR 82 -4.458 7.478 2.719 652 HA THR 82 HA THR 82 -5.058 8.996 5.131 653 HB THR 82 HB THR 82 -5.904 10.063 2.446 654 HG1 THR 82 1HG THR 82 -3.730 10.891 4.068 655 1HG2 THR 82 1HG2 THR 82 -7.328 10.931 4.080 656 2HG2 THR 82 2HG2 THR 82 -6.114 12.182 3.814 657 3HG2 THR 82 3HG2 THR 82 -6.014 11.140 5.236 658 H ALA 83 H ALA 83 -7.502 9.421 5.303 659 HA ALA 83 HA ALA 83 -9.071 7.364 3.926 660 1HB ALA 83 1HB ALA 83 -9.603 7.570 6.815 661 2HB ALA 83 2HB ALA 83 -8.087 6.794 6.354 662 3HB ALA 83 3HB ALA 83 -9.619 6.164 5.749 663 H HIS 84 H HIS 84 -8.912 10.410 5.547 664 HA HIS 84 HA HIS 84 -10.479 11.965 6.142 665 1HB HIS 84 2HB HIS 84 -11.872 12.531 3.947 666 2HB HIS 84 1HB HIS 84 -10.168 12.924 4.117 667 HD1 HIS 84 1HD HIS 84 -8.495 11.606 2.686 668 HD2 HIS 84 2HD HIS 84 -12.457 10.534 2.061 669 HE1 HIS 84 1HE HIS 84 -8.491 10.217 0.600 670 HE2 HIS 84 2HE HIS 84 -10.866 9.417 0.359 671 H SER 85 H SER 85 -12.912 10.937 3.875 672 HA SER 85 HA SER 85 -14.558 10.054 6.151 673 1HB SER 85 2HB SER 85 -16.450 10.957 4.503 674 2HB SER 85 1HB SER 85 -15.619 12.013 5.646 675 HG SER 85 HG SER 85 -15.088 11.684 2.881 676 H ASP 86 H ASP 86 -13.307 9.122 3.134 677 HA ASP 86 HA ASP 86 -15.494 7.362 2.453 678 1HB ASP 86 2HB ASP 86 -12.806 7.931 1.252 679 2HB ASP 86 1HB ASP 86 -13.697 6.493 0.769 680 H LEU 87 H LEU 87 -13.849 7.130 5.023 681 HA LEU 87 HA LEU 87 -12.282 4.881 5.117 682 1HB LEU 87 2HB LEU 87 -13.815 6.471 6.998 683 2HB LEU 87 1HB LEU 87 -13.747 4.784 7.475 684 HG LEU 87 HG LEU 87 -11.311 6.438 6.831 685 1HD1 LEU 87 1HD1 LEU 87 -12.173 7.469 8.738 686 2HD1 LEU 87 2HD1 LEU 87 -11.010 6.302 9.366 687 3HD1 LEU 87 3HD1 LEU 87 -12.736 5.942 9.420 688 1HD2 LEU 87 1HD2 LEU 87 -10.792 4.156 6.561 689 2HD2 LEU 87 2HD2 LEU 87 -11.741 3.692 7.974 690 3HD2 LEU 87 3HD2 LEU 87 -10.228 4.575 8.178 691 H ASP 88 H ASP 88 -15.656 5.045 4.519 692 HA ASP 88 HA ASP 88 -16.703 2.739 5.516 693 1HB ASP 88 2HB ASP 88 -17.209 4.336 3.071 694 2HB ASP 88 1HB ASP 88 -17.914 2.725 3.119 695 H ALA 89 H ALA 89 -15.044 2.963 2.339 696 HA ALA 89 HA ALA 89 -15.165 0.184 1.860 697 1HB ALA 89 1HB ALA 89 -14.837 1.605 -0.015 698 2HB ALA 89 2HB ALA 89 -13.369 0.639 0.156 699 3HB ALA 89 3HB ALA 89 -13.392 2.320 0.695 700 H ALA 90 H ALA 90 -13.145 2.101 3.849 701 HA ALA 90 HA ALA 90 -10.845 0.448 3.918 702 1HB ALA 90 1HB ALA 90 -10.088 1.798 5.654 703 2HB ALA 90 2HB ALA 90 -11.720 2.140 6.229 704 3HB ALA 90 3HB ALA 90 -11.137 2.878 4.738 705 H VAL 91 H VAL 91 -13.806 0.575 5.853 706 HA VAL 91 HA VAL 91 -13.067 -1.210 7.848 707 HB VAL 91 HB VAL 91 -15.863 -1.129 6.767 708 1HG1 VAL 91 1HG1 VAL 91 -16.090 -2.544 8.487 709 2HG1 VAL 91 2HG1 VAL 91 -15.919 -1.120 9.515 710 3HG1 VAL 91 3HG1 VAL 91 -14.509 -2.122 9.155 711 1HG2 VAL 91 1HG2 VAL 91 -15.329 1.170 6.937 712 2HG2 VAL 91 2HG2 VAL 91 -14.425 0.926 8.431 713 3HG2 VAL 91 3HG2 VAL 91 -16.182 0.767 8.427 714 H SER 92 H SER 92 -14.599 -1.856 4.722 715 HA SER 92 HA SER 92 -14.844 -4.637 5.060 716 1HB SER 92 2HB SER 92 -14.710 -2.852 2.635 717 2HB SER 92 1HB SER 92 -14.792 -4.605 2.466 718 HG SER 92 HG SER 92 -16.829 -3.167 2.610 719 H ALA 93 H ALA 93 -12.293 -2.628 3.660 720 HA ALA 93 HA ALA 93 -10.579 -4.507 2.659 721 1HB ALA 93 1HB ALA 93 -9.755 -2.070 4.214 722 2HB ALA 93 2HB ALA 93 -10.246 -2.070 2.518 723 3HB ALA 93 3HB ALA 93 -8.789 -2.931 3.015 724 H TYR 94 H TYR 94 -10.932 -3.496 5.997 725 HA TYR 94 HA TYR 94 -8.816 -4.916 7.126 726 1HB TYR 94 2HB TYR 94 -11.520 -4.480 8.409 727 2HB TYR 94 1HB TYR 94 -9.994 -4.770 9.236 728 HD1 TYR 94 1HD TYR 94 -8.186 -2.936 7.807 729 HD2 TYR 94 2HD TYR 94 -12.196 -2.374 9.113 730 HE1 TYR 94 1HE TYR 94 -7.789 -0.512 7.951 731 HE2 TYR 94 2HE TYR 94 -11.811 0.050 9.258 732 HH TYR 94 HH TYR 94 -10.308 1.741 8.314 733 H GLN 95 H GLN 95 -11.848 -5.978 5.895 734 HA GLN 95 HA GLN 95 -11.913 -8.499 7.228 735 1HB GLN 95 2HB GLN 95 -13.963 -8.651 6.342 736 2HB GLN 95 1HB GLN 95 -13.704 -7.045 5.688 737 1HG GLN 95 2HG GLN 95 -12.558 -8.875 3.857 738 2HG GLN 95 1HG GLN 95 -14.131 -9.508 4.318 739 1HE2 GLN 95 1HE2 GLN 95 -12.412 -6.927 2.758 740 2HE2 GLN 95 2HE2 GLN 95 -13.785 -6.206 1.997 741 H GLN 96 H GLN 96 -10.870 -7.435 4.031 742 HA GLN 96 HA GLN 96 -10.062 -10.023 3.185 743 1HB GLN 96 2HB GLN 96 -9.677 -7.244 2.132 744 2HB GLN 96 1HB GLN 96 -8.900 -8.629 1.361 745 1HG GLN 96 2HG GLN 96 -11.847 -8.267 1.805 746 2HG GLN 96 1HG GLN 96 -10.997 -8.061 0.284 747 1HE2 GLN 96 1HE2 GLN 96 -13.175 -9.863 0.983 748 2HE2 GLN 96 2HE2 GLN 96 -12.603 -11.460 0.659 749 H GLY 97 H GLY 97 -8.576 -7.632 5.147 750 1HA GLY 97 2HA GLY 97 -6.625 -8.515 6.398 751 2HA GLY 97 1HA GLY 97 -5.997 -9.049 4.846 752 H ALA 98 H ALA 98 -7.549 -5.930 5.359 753 HA ALA 98 HA ALA 98 -5.409 -4.513 4.184 754 1HB ALA 98 1HB ALA 98 -7.416 -3.232 6.008 755 2HB ALA 98 2HB ALA 98 -7.874 -3.823 4.412 756 3HB ALA 98 3HB ALA 98 -6.646 -2.571 4.565 757 H PHE 99 H PHE 99 -3.802 -3.203 5.123 758 HA PHE 99 HA PHE 99 -2.910 -4.129 7.673 759 1HB PHE 99 2HB PHE 99 -1.425 -3.484 5.689 760 2HB PHE 99 1HB PHE 99 -1.710 -1.813 6.174 761 HD1 PHE 99 1HD PHE 99 -0.955 -4.992 7.973 762 HD2 PHE 99 2HD PHE 99 0.061 -0.915 7.316 763 HE1 PHE 99 1HE PHE 99 0.830 -5.173 9.654 764 HE2 PHE 99 2HE PHE 99 1.852 -1.091 8.991 765 HZ PHE 99 HZ PHE 99 2.238 -3.218 10.165 766 H ASP 100 H ASP 100 -3.841 -0.909 6.425 767 HA ASP 100 HA ASP 100 -5.407 -0.159 8.569 768 1HB ASP 100 2HB ASP 100 -2.787 -0.325 9.463 769 2HB ASP 100 1HB ASP 100 -2.993 1.392 9.137 770 H TYR 101 H TYR 101 -4.866 2.491 8.952 771 HA TYR 101 HA TYR 101 -4.607 3.720 6.312 772 1HB TYR 101 2HB TYR 101 -7.090 3.562 7.920 773 2HB TYR 101 1HB TYR 101 -6.707 5.150 7.263 774 HD1 TYR 101 1HD TYR 101 -7.316 1.613 6.333 775 HD2 TYR 101 2HD TYR 101 -7.067 5.645 5.002 776 HE1 TYR 101 1HE TYR 101 -8.269 0.951 4.161 777 HE2 TYR 101 2HE TYR 101 -8.012 5.004 2.826 778 HH TYR 101 HH TYR 101 -9.232 1.754 2.242 779 H LEU 102 H LEU 102 -4.066 5.956 6.399 780 HA LEU 102 HA LEU 102 -3.007 6.771 9.010 781 1HB LEU 102 2HB LEU 102 -2.050 6.947 6.279 782 2HB LEU 102 1HB LEU 102 -2.014 8.511 7.074 783 HG LEU 102 HG LEU 102 -0.616 7.623 8.849 784 1HD1 LEU 102 1HD1 LEU 102 -1.663 5.292 8.649 785 2HD1 LEU 102 2HD1 LEU 102 0.059 5.396 9.021 786 3HD1 LEU 102 3HD1 LEU 102 -0.467 5.017 7.383 787 1HD2 LEU 102 1HD2 LEU 102 0.753 6.541 6.467 788 2HD2 LEU 102 2HD2 LEU 102 1.306 7.711 7.665 789 3HD2 LEU 102 3HD2 LEU 102 0.202 8.215 6.382 790 HA PRO 103 HA PRO 103 -6.325 9.792 8.985 791 1HB PRO 103 2HB PRO 103 -5.640 10.999 11.344 792 2HB PRO 103 1HB PRO 103 -6.577 9.506 11.234 793 1HG PRO 103 2HG PRO 103 -3.697 9.897 11.876 794 2HG PRO 103 1HG PRO 103 -4.839 8.700 12.506 795 1HD PRO 103 2HD PRO 103 -2.944 8.165 10.598 796 2HD PRO 103 1HD PRO 103 -4.453 7.252 10.786 797 H LYS 104 H LYS 104 -3.555 11.288 10.624 798 HA LYS 104 HA LYS 104 -3.647 13.441 8.633 799 1HB LYS 104 2HB LYS 104 -3.824 13.619 11.351 800 2HB LYS 104 1HB LYS 104 -2.114 13.934 11.088 801 1HG LYS 104 2HG LYS 104 -2.711 15.701 9.482 802 2HG LYS 104 1HG LYS 104 -4.415 15.418 9.841 803 1HD LYS 104 2HD LYS 104 -3.066 15.753 12.310 804 2HD LYS 104 1HD LYS 104 -2.535 17.048 11.235 805 1HE LYS 104 2HE LYS 104 -5.416 16.328 11.746 806 2HE LYS 104 1HE LYS 104 -4.549 17.615 12.582 807 1HZ LYS 104 1HZ LYS 104 -4.490 17.667 9.670 808 2HZ LYS 104 2HZ LYS 104 -4.595 18.946 10.772 809 3HZ LYS 104 3HZ LYS 104 -5.971 18.034 10.401 810 HA PRO 105 HA PRO 105 1.133 12.781 9.286 811 1HB PRO 105 2HB PRO 105 1.800 10.344 10.404 812 2HB PRO 105 1HB PRO 105 1.751 11.877 11.280 813 1HG PRO 105 2HG PRO 105 -0.298 9.706 11.141 814 2HG PRO 105 1HG PRO 105 0.211 10.681 12.531 815 1HD PRO 105 2HD PRO 105 -2.071 11.190 11.231 816 2HD PRO 105 1HD PRO 105 -1.074 12.501 11.886 817 H PHE 106 H PHE 106 2.560 11.675 7.897 818 HA PHE 106 HA PHE 106 1.907 9.225 6.635 819 1HB PHE 106 2HB PHE 106 0.233 10.560 5.480 820 2HB PHE 106 1HB PHE 106 1.446 11.755 5.034 821 HD1 PHE 106 1HD PHE 106 1.713 11.718 2.756 822 HD2 PHE 106 2HD PHE 106 1.416 8.028 4.858 823 HE1 PHE 106 1HE PHE 106 2.163 10.496 0.668 824 HE2 PHE 106 2HE PHE 106 1.865 6.800 2.772 825 HZ PHE 106 HZ PHE 106 2.240 8.033 0.673 826 H ASP 107 H ASP 107 3.296 11.548 4.484 827 HA ASP 107 HA ASP 107 5.389 11.565 3.559 828 1HB ASP 107 2HB ASP 107 7.111 12.358 5.106 829 2HB ASP 107 1HB ASP 107 5.578 13.172 5.403 830 H ILE 108 H ILE 108 7.829 10.698 4.067 831 HA ILE 108 HA ILE 108 7.611 7.895 3.778 832 HB ILE 108 HB ILE 108 9.643 9.845 3.387 833 1HG1 ILE 108 2HG1 ILE 108 10.485 8.156 1.839 834 2HG1 ILE 108 1HG1 ILE 108 9.466 6.941 2.598 835 1HG2 ILE 108 1HG2 ILE 108 10.743 9.078 5.369 836 2HG2 ILE 108 2HG2 ILE 108 11.601 8.421 3.973 837 3HG2 ILE 108 3HG2 ILE 108 10.507 7.397 4.900 838 1HD1 ILE 108 1HD1 ILE 108 8.405 9.396 1.223 839 2HD1 ILE 108 2HD1 ILE 108 7.482 8.013 1.817 840 3HD1 ILE 108 3HD1 ILE 108 8.581 7.820 0.450 841 H ASP 109 H ASP 109 8.638 9.936 6.402 842 HA ASP 109 HA ASP 109 9.726 8.111 8.137 843 1HB ASP 109 2HB ASP 109 9.232 10.713 8.341 844 2HB ASP 109 1HB ASP 109 7.877 10.129 9.304 845 H GLU 110 H GLU 110 6.273 9.079 8.163 846 HA GLU 110 HA GLU 110 5.596 6.926 9.905 847 1HB GLU 110 2HB GLU 110 3.887 8.894 8.393 848 2HB GLU 110 1HB GLU 110 3.227 7.661 9.452 849 1HG GLU 110 2HG GLU 110 5.311 9.228 10.728 850 2HG GLU 110 1HG GLU 110 3.954 10.209 10.173 851 H ALA 111 H ALA 111 5.530 7.453 6.466 852 HA ALA 111 HA ALA 111 3.821 5.300 5.803 853 1HB ALA 111 1HB ALA 111 4.130 6.888 4.110 854 2HB ALA 111 2HB ALA 111 4.998 5.458 3.543 855 3HB ALA 111 3HB ALA 111 5.889 6.812 4.239 856 H VAL 112 H VAL 112 7.364 5.552 5.494 857 HA VAL 112 HA VAL 112 7.820 2.834 5.027 858 HB VAL 112 HB VAL 112 9.701 4.766 6.375 859 1HG1 VAL 112 1HG1 VAL 112 9.945 2.030 5.931 860 2HG1 VAL 112 2HG1 VAL 112 11.242 3.158 6.324 861 3HG1 VAL 112 3HG1 VAL 112 10.884 2.779 4.641 862 1HG2 VAL 112 1HG2 VAL 112 9.472 5.896 4.439 863 2HG2 VAL 112 2HG2 VAL 112 8.767 4.517 3.597 864 3HG2 VAL 112 3HG2 VAL 112 10.517 4.631 3.791 865 H ALA 113 H ALA 113 7.360 4.622 7.953 866 HA ALA 113 HA ALA 113 8.342 2.730 9.800 867 1HB ALA 113 1HB ALA 113 6.249 4.877 10.034 868 2HB ALA 113 2HB ALA 113 7.942 4.969 10.529 869 3HB ALA 113 3HB ALA 113 6.822 3.924 11.404 870 H LEU 114 H LEU 114 5.163 3.360 8.449 871 HA LEU 114 HA LEU 114 3.888 1.210 9.818 872 1HB LEU 114 2HB LEU 114 2.753 3.318 9.128 873 2HB LEU 114 1HB LEU 114 2.901 2.803 7.458 874 HG LEU 114 HG LEU 114 1.478 0.845 7.947 875 1HD1 LEU 114 1HD1 LEU 114 0.200 1.561 10.312 876 2HD1 LEU 114 2HD1 LEU 114 1.920 1.710 10.670 877 3HD1 LEU 114 3HD1 LEU 114 1.277 0.188 10.064 878 1HD2 LEU 114 1HD2 LEU 114 0.095 3.347 8.864 879 2HD2 LEU 114 2HD2 LEU 114 -0.561 2.010 7.919 880 3HD2 LEU 114 3HD2 LEU 114 0.610 3.114 7.193 881 H VAL 115 H VAL 115 5.648 1.488 6.864 882 HA VAL 115 HA VAL 115 4.396 -0.787 5.638 883 HB VAL 115 HB VAL 115 5.500 1.122 4.357 884 1HG1 VAL 115 1HG1 VAL 115 8.007 -0.497 4.694 885 2HG1 VAL 115 2HG1 VAL 115 7.653 0.903 5.698 886 3HG1 VAL 115 3HG1 VAL 115 7.813 1.094 3.957 887 1HG2 VAL 115 1HG2 VAL 115 4.774 -0.558 2.982 888 2HG2 VAL 115 2HG2 VAL 115 5.749 -1.789 3.788 889 3HG2 VAL 115 3HG2 VAL 115 6.510 -0.640 2.687 890 H GLU 116 H GLU 116 7.463 -0.183 7.276 891 HA GLU 116 HA GLU 116 8.598 -2.715 6.927 892 1HB GLU 116 2HB GLU 116 8.954 -0.676 9.124 893 2HB GLU 116 1HB GLU 116 9.943 -2.121 8.972 894 1HG GLU 116 2HG GLU 116 10.728 -1.376 6.795 895 2HG GLU 116 1HG GLU 116 9.706 0.056 6.904 896 H ARG 117 H ARG 117 6.543 -1.448 9.528 897 HA ARG 117 HA ARG 117 6.597 -3.740 11.145 898 1HB ARG 117 2HB ARG 117 4.509 -1.579 10.862 899 2HB ARG 117 1HB ARG 117 4.466 -2.821 12.107 900 1HG ARG 117 2HG ARG 117 6.898 -1.118 11.803 901 2HG ARG 117 1HG ARG 117 5.473 -0.483 12.630 902 1HD ARG 117 2HD ARG 117 6.878 -3.056 13.336 903 2HD ARG 117 1HD ARG 117 7.116 -1.518 14.167 904 HE ARG 117 HE ARG 117 4.458 -1.865 14.348 905 1HH1 ARG 117 1HH1 ARG 117 7.147 -3.974 15.062 906 2HH1 ARG 117 2HH1 ARG 117 6.305 -4.833 16.307 907 1HH2 ARG 117 1HH2 ARG 117 3.350 -2.991 15.990 908 2HH2 ARG 117 2HH2 ARG 117 4.150 -4.273 16.835 909 H ALA 118 H ALA 118 4.908 -3.057 8.226 910 HA ALA 118 HA ALA 118 2.845 -4.992 8.552 911 1HB ALA 118 1HB ALA 118 2.159 -4.448 6.388 912 2HB ALA 118 2HB ALA 118 3.778 -3.943 5.906 913 3HB ALA 118 3HB ALA 118 2.839 -2.948 7.017 914 H ILE 119 H ILE 119 5.971 -4.960 6.885 915 HA ILE 119 HA ILE 119 5.724 -7.504 5.701 916 HB ILE 119 HB ILE 119 8.263 -6.096 6.515 917 1HG1 ILE 119 2HG1 ILE 119 7.300 -5.989 3.720 918 2HG1 ILE 119 1HG1 ILE 119 6.389 -5.036 4.887 919 1HG2 ILE 119 1HG2 ILE 119 8.715 -8.378 5.956 920 2HG2 ILE 119 2HG2 ILE 119 9.228 -7.371 4.601 921 3HG2 ILE 119 3HG2 ILE 119 7.716 -8.274 4.506 922 1HD1 ILE 119 1HD1 ILE 119 8.167 -3.757 3.785 923 2HD1 ILE 119 2HD1 ILE 119 9.356 -4.866 4.471 924 3HD1 ILE 119 3HD1 ILE 119 8.378 -3.856 5.532 925 H SER 120 H SER 120 6.717 -6.429 8.836 926 HA SER 120 HA SER 120 7.955 -8.823 9.702 927 1HB SER 120 2HB SER 120 6.956 -6.341 11.018 928 2HB SER 120 1HB SER 120 7.267 -7.748 12.033 929 HG SER 120 HG SER 120 9.385 -7.761 10.839 930 H HIS 121 H HIS 121 4.703 -7.480 10.231 931 HA HIS 121 HA HIS 121 3.727 -9.625 11.759 932 1HB HIS 121 2HB HIS 121 2.450 -7.421 10.188 933 2HB HIS 121 1HB HIS 121 1.445 -8.728 10.809 934 HD1 HIS 121 1HD HIS 121 3.839 -6.071 12.061 935 HD2 HIS 121 2HD HIS 121 0.734 -8.471 13.427 936 HE1 HIS 121 1HE HIS 121 3.359 -5.282 14.401 937 HE2 HIS 121 2HE HIS 121 1.468 -6.741 15.205 938 H TYR 122 H TYR 122 4.211 -9.266 8.369 939 HA TYR 122 HA TYR 122 2.362 -11.203 7.465 940 1HB TYR 122 2HB TYR 122 3.614 -9.412 6.101 941 2HB TYR 122 1HB TYR 122 4.948 -10.559 6.068 942 HD1 TYR 122 1HD TYR 122 1.293 -11.238 5.810 943 HD2 TYR 122 2HD TYR 122 5.061 -11.222 3.832 944 HE1 TYR 122 1HE TYR 122 0.277 -12.367 3.875 945 HE2 TYR 122 2HE TYR 122 4.054 -12.348 1.893 946 HH TYR 122 HH TYR 122 1.163 -12.401 1.089 947 H GLN 123 H GLN 123 5.904 -11.406 7.797 948 HA GLN 123 HA GLN 123 7.308 -13.200 7.947 949 1HB GLN 123 2HB GLN 123 6.911 -14.619 9.846 950 2HB GLN 123 1HB GLN 123 6.387 -12.989 10.248 951 1HG GLN 123 2HG GLN 123 4.108 -13.572 10.058 952 2HG GLN 123 1HG GLN 123 4.493 -15.111 9.289 953 1HE2 GLN 123 1HE2 GLN 123 4.639 -13.305 12.292 954 2HE2 GLN 123 2HE2 GLN 123 4.714 -14.681 13.336 955 H GLU 124 H GLU 124 7.047 -15.871 8.316 956 HA GLU 124 HA GLU 124 6.686 -17.822 7.208 957 1HB GLU 124 2HB GLU 124 4.123 -16.506 7.353 958 2HB GLU 124 1HB GLU 124 4.239 -17.448 5.872 959 1HG GLU 124 2HG GLU 124 4.885 -19.414 7.216 960 2HG GLU 124 1HG GLU 124 4.650 -18.454 8.676 Start of MODEL 9 1 1H MET 1 1HT MET 1 17.671 -16.079 3.570 2 2H MET 1 2HT MET 1 16.947 -17.080 4.761 3 3H MET 1 3HT MET 1 16.255 -15.557 4.380 4 HA MET 1 HA MET 1 16.463 -16.932 2.014 5 1HB MET 1 2HB MET 1 15.193 -18.973 2.511 6 2HB MET 1 1HB MET 1 16.741 -18.968 3.345 7 1HG MET 1 2HG MET 1 15.273 -17.924 5.284 8 2HG MET 1 1HG MET 1 13.990 -18.782 4.433 9 1HE MET 1 1HE MET 1 14.159 -21.066 3.650 10 2HE MET 1 2HE MET 1 13.566 -21.568 5.233 11 3HE MET 1 3HE MET 1 14.942 -22.397 4.503 12 H GLN 2 H GLN 2 15.443 -14.538 2.851 13 HA GLN 2 HA GLN 2 12.540 -14.942 2.555 14 1HB GLN 2 2HB GLN 2 14.057 -13.246 4.431 15 2HB GLN 2 1HB GLN 2 12.704 -12.452 3.639 16 1HG GLN 2 2HG GLN 2 11.163 -13.666 4.741 17 2HG GLN 2 1HG GLN 2 12.157 -15.122 4.750 18 1HE2 GLN 2 1HE2 GLN 2 10.611 -13.645 6.859 19 2HE2 GLN 2 2HE2 GLN 2 11.739 -13.425 8.148 20 H ARG 3 H ARG 3 11.495 -13.722 1.049 21 HA ARG 3 HA ARG 3 13.083 -12.587 -1.023 22 1HB ARG 3 2HB ARG 3 10.708 -13.817 -1.029 23 2HB ARG 3 1HB ARG 3 10.163 -12.147 -1.015 24 1HG ARG 3 2HG ARG 3 10.274 -12.479 -3.254 25 2HG ARG 3 1HG ARG 3 11.926 -11.930 -2.968 26 1HD ARG 3 2HD ARG 3 11.538 -14.811 -2.612 27 2HD ARG 3 1HD ARG 3 11.230 -14.243 -4.252 28 HE ARG 3 HE ARG 3 13.774 -14.310 -2.873 29 1HH1 ARG 3 1HH1 ARG 3 11.961 -13.038 -5.574 30 2HH1 ARG 3 2HH1 ARG 3 13.372 -12.678 -6.510 31 1HH2 ARG 3 1HH2 ARG 3 15.627 -13.829 -4.099 32 2HH2 ARG 3 2HH2 ARG 3 15.453 -13.126 -5.673 33 H GLY 4 H GLY 4 10.429 -11.230 0.853 34 1HA GLY 4 2HA GLY 4 10.116 -9.121 1.721 35 2HA GLY 4 1HA GLY 4 11.824 -8.818 1.445 36 H ILE 5 H ILE 5 8.683 -8.952 -0.183 37 HA ILE 5 HA ILE 5 9.711 -7.027 -2.166 38 HB ILE 5 HB ILE 5 7.184 -8.626 -2.485 39 1HG1 ILE 5 2HG1 ILE 5 8.955 -9.839 -4.164 40 2HG1 ILE 5 1HG1 ILE 5 9.985 -9.497 -2.775 41 1HG2 ILE 5 1HG2 ILE 5 8.560 -8.004 -4.909 42 2HG2 ILE 5 2HG2 ILE 5 8.398 -6.540 -3.940 43 3HG2 ILE 5 3HG2 ILE 5 6.968 -7.477 -4.366 44 1HD1 ILE 5 1HD1 ILE 5 8.870 -10.940 -1.427 45 2HD1 ILE 5 2HD1 ILE 5 8.599 -11.730 -2.978 46 3HD1 ILE 5 3HD1 ILE 5 7.337 -10.726 -2.267 47 H VAL 6 H VAL 6 9.139 -5.000 -1.749 48 HA VAL 6 HA VAL 6 6.546 -4.502 -0.446 49 HB VAL 6 HB VAL 6 8.470 -3.630 0.805 50 1HG1 VAL 6 1HG1 VAL 6 10.147 -2.431 -0.082 51 2HG1 VAL 6 2HG1 VAL 6 9.078 -1.510 -1.135 52 3HG1 VAL 6 3HG1 VAL 6 9.600 -3.125 -1.600 53 1HG2 VAL 6 1HG2 VAL 6 7.044 -2.068 1.475 54 2HG2 VAL 6 2HG2 VAL 6 6.207 -2.123 -0.076 55 3HG2 VAL 6 3HG2 VAL 6 7.576 -1.033 0.151 56 H TRP 7 H TRP 7 4.979 -3.717 -1.694 57 HA TRP 7 HA TRP 7 5.757 -2.333 -4.174 58 1HB TRP 7 2HB TRP 7 3.466 -4.151 -3.523 59 2HB TRP 7 1HB TRP 7 3.321 -2.987 -4.838 60 HD1 TRP 7 HD1 TRP 7 6.791 -4.313 -4.482 61 HE1 TRP 7 1HE TRP 7 7.295 -6.007 -6.348 62 HE3 TRP 7 3HE TRP 7 2.049 -4.973 -6.279 63 HZ2 TRP 7 2HZ TRP 7 5.863 -7.448 -8.308 64 HZ3 TRP 7 3HZ TRP 7 1.701 -6.530 -8.153 65 HH2 TRP 7 HH2 TRP 7 3.574 -7.740 -9.145 66 H VAL 8 H VAL 8 5.083 -0.319 -4.539 67 HA VAL 8 HA VAL 8 3.187 0.861 -2.612 68 HB VAL 8 HB VAL 8 5.015 2.801 -3.772 69 1HG1 VAL 8 1HG1 VAL 8 5.203 3.528 -1.483 70 2HG1 VAL 8 2HG1 VAL 8 4.452 2.047 -0.917 71 3HG1 VAL 8 3HG1 VAL 8 3.525 3.196 -1.872 72 1HG2 VAL 8 1HG2 VAL 8 6.856 1.943 -2.060 73 2HG2 VAL 8 2HG2 VAL 8 6.846 1.450 -3.750 74 3HG2 VAL 8 3HG2 VAL 8 6.188 0.380 -2.518 75 H VAL 9 H VAL 9 1.819 2.499 -3.351 76 HA VAL 9 HA VAL 9 1.799 2.938 -6.258 77 HB VAL 9 HB VAL 9 -0.872 3.105 -5.093 78 1HG1 VAL 9 1HG1 VAL 9 -1.045 3.036 -7.321 79 2HG1 VAL 9 2HG1 VAL 9 -0.963 1.290 -7.132 80 3HG1 VAL 9 3HG1 VAL 9 0.481 2.214 -7.515 81 1HG2 VAL 9 1HG2 VAL 9 -1.085 0.522 -5.175 82 2HG2 VAL 9 2HG2 VAL 9 -0.481 1.284 -3.712 83 3HG2 VAL 9 3HG2 VAL 9 0.643 0.535 -4.839 84 H ASP 10 H ASP 10 2.461 5.003 -6.410 85 HA ASP 10 HA ASP 10 0.812 7.104 -5.392 86 1HB ASP 10 2HB ASP 10 2.248 6.416 -3.401 87 2HB ASP 10 1HB ASP 10 3.615 7.050 -4.304 88 H ASP 11 H ASP 11 1.043 7.065 -7.841 89 HA ASP 11 HA ASP 11 1.680 8.120 -9.747 90 1HB ASP 11 2HB ASP 11 1.491 10.097 -8.202 91 2HB ASP 11 1HB ASP 11 3.232 9.993 -7.959 92 H ASP 12 H ASP 12 3.730 6.303 -8.051 93 HA ASP 12 HA ASP 12 5.864 5.538 -8.286 94 1HB ASP 12 2HB ASP 12 6.360 4.777 -10.522 95 2HB ASP 12 1HB ASP 12 4.629 4.620 -10.251 96 H SER 13 H SER 13 7.575 6.212 -10.675 97 HA SER 13 HA SER 13 9.492 7.438 -10.822 98 1HB SER 13 2HB SER 13 7.560 8.389 -12.234 99 2HB SER 13 1HB SER 13 7.634 9.758 -11.130 100 HG SER 13 HG SER 13 10.033 9.610 -11.687 101 H SER 14 H SER 14 7.858 10.261 -9.579 102 HA SER 14 HA SER 14 9.937 11.051 -7.925 103 1HB SER 14 2HB SER 14 8.080 12.532 -8.657 104 2HB SER 14 1HB SER 14 6.998 11.691 -7.545 105 HG SER 14 HG SER 14 8.751 13.674 -7.042 106 H ILE 15 H ILE 15 6.808 9.791 -6.738 107 HA ILE 15 HA ILE 15 7.723 9.355 -4.130 108 HB ILE 15 HB ILE 15 5.479 7.801 -5.430 109 1HG1 ILE 15 2HG1 ILE 15 5.264 10.269 -5.809 110 2HG1 ILE 15 1HG1 ILE 15 3.987 9.600 -4.805 111 1HG2 ILE 15 1HG2 ILE 15 6.611 7.743 -2.860 112 2HG2 ILE 15 2HG2 ILE 15 5.106 6.997 -3.385 113 3HG2 ILE 15 3HG2 ILE 15 5.090 8.617 -2.695 114 1HD1 ILE 15 1HD1 ILE 15 5.500 10.360 -2.839 115 2HD1 ILE 15 2HD1 ILE 15 4.504 11.536 -3.698 116 3HD1 ILE 15 3HD1 ILE 15 6.227 11.408 -4.056 117 H ARG 16 H ARG 16 8.221 7.538 -6.996 118 HA ARG 16 HA ARG 16 8.656 4.993 -5.808 119 1HB ARG 16 2HB ARG 16 8.179 5.276 -8.215 120 2HB ARG 16 1HB ARG 16 9.721 6.087 -8.419 121 1HG ARG 16 2HG ARG 16 10.648 3.841 -7.382 122 2HG ARG 16 1HG ARG 16 9.134 3.205 -8.018 123 1HD ARG 16 2HD ARG 16 11.183 4.735 -9.615 124 2HD ARG 16 1HD ARG 16 10.999 2.982 -9.611 125 HE ARG 16 HE ARG 16 9.451 4.853 -11.086 126 1HH1 ARG 16 1HH1 ARG 16 9.254 1.790 -9.422 127 2HH1 ARG 16 2HH1 ARG 16 7.897 1.235 -10.343 128 1HH2 ARG 16 1HH2 ARG 16 7.667 4.120 -12.302 129 2HH2 ARG 16 2HH2 ARG 16 6.998 2.556 -11.977 130 H TRP 17 H TRP 17 10.968 7.379 -7.103 131 HA TRP 17 HA TRP 17 13.302 6.171 -6.303 132 1HB TRP 17 2HB TRP 17 13.189 8.176 -7.742 133 2HB TRP 17 1HB TRP 17 12.787 9.146 -6.325 134 HD1 TRP 17 HD1 TRP 17 15.681 6.894 -7.584 135 HE1 TRP 17 1HE TRP 17 17.879 7.795 -6.597 136 HE3 TRP 17 3HE TRP 17 13.784 10.647 -4.672 137 HZ2 TRP 17 2HZ TRP 17 18.707 9.821 -4.820 138 HZ3 TRP 17 3HZ TRP 17 15.355 12.019 -3.353 139 HH2 TRP 17 HH2 TRP 17 17.763 11.611 -3.429 140 H VAL 18 H VAL 18 11.193 8.255 -4.383 141 HA VAL 18 HA VAL 18 12.908 8.555 -2.191 142 HB VAL 18 HB VAL 18 9.911 8.516 -1.973 143 1HG1 VAL 18 1HG1 VAL 18 10.318 9.105 0.124 144 2HG1 VAL 18 2HG1 VAL 18 11.101 10.570 -0.457 145 3HG1 VAL 18 3HG1 VAL 18 12.053 9.114 -0.174 146 1HG2 VAL 18 1HG2 VAL 18 9.822 10.792 -2.632 147 2HG2 VAL 18 2HG2 VAL 18 10.721 9.938 -3.884 148 3HG2 VAL 18 3HG2 VAL 18 11.580 10.915 -2.695 149 H LEU 19 H LEU 19 10.242 6.283 -2.620 150 HA LEU 19 HA LEU 19 10.906 4.942 -0.179 151 1HB LEU 19 2HB LEU 19 8.572 5.302 -1.440 152 2HB LEU 19 1HB LEU 19 8.973 3.696 -2.018 153 HG LEU 19 HG LEU 19 9.176 2.916 0.311 154 1HD1 LEU 19 1HD1 LEU 19 8.329 5.737 0.945 155 2HD1 LEU 19 2HD1 LEU 19 9.813 4.923 1.438 156 3HD1 LEU 19 3HD1 LEU 19 8.263 4.401 2.090 157 1HD2 LEU 19 1HD2 LEU 19 7.070 2.325 -0.064 158 2HD2 LEU 19 2HD2 LEU 19 6.780 3.775 -1.023 159 3HD2 LEU 19 3HD2 LEU 19 6.570 3.822 0.725 160 H GLU 20 H GLU 20 11.600 4.427 -3.528 161 HA GLU 20 HA GLU 20 12.059 1.651 -3.357 162 1HB GLU 20 2HB GLU 20 13.113 1.780 -5.482 163 2HB GLU 20 1HB GLU 20 11.752 2.882 -5.498 164 1HG GLU 20 2HG GLU 20 13.326 4.745 -5.110 165 2HG GLU 20 1HG GLU 20 14.656 3.597 -5.228 166 H ARG 21 H ARG 21 14.427 4.278 -3.494 167 HA ARG 21 HA ARG 21 16.675 2.724 -2.956 168 1HB ARG 21 2HB ARG 21 16.145 5.643 -2.410 169 2HB ARG 21 1HB ARG 21 17.728 4.888 -2.262 170 1HG ARG 21 2HG ARG 21 16.463 4.346 -4.822 171 2HG ARG 21 1HG ARG 21 16.689 6.071 -4.521 172 1HD ARG 21 2HD ARG 21 18.926 4.168 -3.992 173 2HD ARG 21 1HD ARG 21 18.583 4.663 -5.648 174 HE ARG 21 HE ARG 21 18.848 7.006 -4.782 175 1HH1 ARG 21 1HH1 ARG 21 20.479 4.313 -3.254 176 2HH1 ARG 21 2HH1 ARG 21 21.750 5.295 -2.612 177 1HH2 ARG 21 1HH2 ARG 21 20.523 8.284 -3.939 178 2HH2 ARG 21 2HH2 ARG 21 21.776 7.545 -2.999 179 H ALA 22 H ALA 22 14.776 4.700 -0.671 180 HA ALA 22 HA ALA 22 16.221 4.083 1.611 181 1HB ALA 22 1HB ALA 22 14.795 5.604 2.381 182 2HB ALA 22 2HB ALA 22 13.561 4.345 2.444 183 3HB ALA 22 3HB ALA 22 13.723 5.347 1.003 184 H LEU 23 H LEU 23 13.395 2.432 0.315 185 HA LEU 23 HA LEU 23 13.422 0.455 2.369 186 1HB LEU 23 2HB LEU 23 11.464 1.227 0.814 187 2HB LEU 23 1HB LEU 23 12.099 0.014 -0.277 188 HG LEU 23 HG LEU 23 11.395 -1.734 1.020 189 1HD1 LEU 23 1HD1 LEU 23 12.528 -1.475 3.033 190 2HD1 LEU 23 2HD1 LEU 23 10.835 -1.392 3.511 191 3HD1 LEU 23 3HD1 LEU 23 11.783 0.084 3.366 192 1HD2 LEU 23 1HD2 LEU 23 9.483 0.374 1.983 193 2HD2 LEU 23 2HD2 LEU 23 9.161 -1.343 1.746 194 3HD2 LEU 23 3HD2 LEU 23 9.464 -0.302 0.355 195 H ALA 24 H ALA 24 15.023 0.868 -0.648 196 HA ALA 24 HA ALA 24 15.697 -1.857 -1.088 197 1HB ALA 24 1HB ALA 24 17.346 0.475 -2.030 198 2HB ALA 24 2HB ALA 24 15.814 0.048 -2.792 199 3HB ALA 24 3HB ALA 24 17.145 -1.106 -2.783 200 H GLY 25 H GLY 25 17.047 0.811 0.753 201 1HA GLY 25 2HA GLY 25 19.559 -0.340 1.348 202 2HA GLY 25 1HA GLY 25 18.729 0.875 2.318 203 H ALA 26 H ALA 26 16.352 -0.881 2.596 204 HA ALA 26 HA ALA 26 17.196 -2.251 4.956 205 1HB ALA 26 1HB ALA 26 14.700 -3.028 4.837 206 2HB ALA 26 2HB ALA 26 14.585 -1.769 3.609 207 3HB ALA 26 3HB ALA 26 15.099 -1.359 5.243 208 H GLY 27 H GLY 27 16.943 -3.088 1.659 209 1HA GLY 27 2HA GLY 27 17.870 -5.117 0.846 210 2HA GLY 27 1HA GLY 27 17.469 -5.881 2.369 211 H LEU 28 H LEU 28 15.051 -3.981 0.644 212 HA LEU 28 HA LEU 28 13.789 -6.501 -0.149 213 1HB LEU 28 2HB LEU 28 12.006 -4.222 0.414 214 2HB LEU 28 1HB LEU 28 11.767 -5.931 0.705 215 HG LEU 28 HG LEU 28 13.629 -5.454 2.561 216 1HD1 LEU 28 1HD1 LEU 28 12.689 -3.199 3.547 217 2HD1 LEU 28 2HD1 LEU 28 12.524 -2.852 1.826 218 3HD1 LEU 28 3HD1 LEU 28 14.097 -3.278 2.491 219 1HD2 LEU 28 1HD2 LEU 28 11.098 -4.566 3.597 220 2HD2 LEU 28 2HD2 LEU 28 11.964 -6.074 3.894 221 3HD2 LEU 28 3HD2 LEU 28 10.888 -5.934 2.502 222 H THR 29 H THR 29 12.003 -6.149 -1.809 223 HA THR 29 HA THR 29 13.090 -4.448 -3.933 224 HB THR 29 HB THR 29 11.098 -6.725 -3.985 225 HG1 THR 29 1HG THR 29 13.026 -7.323 -5.525 226 1HG2 THR 29 1HG2 THR 29 11.805 -6.363 -6.583 227 2HG2 THR 29 2HG2 THR 29 11.669 -4.698 -6.019 228 3HG2 THR 29 3HG2 THR 29 10.300 -5.798 -5.858 229 H CYS 30 H CYS 30 12.305 -2.445 -3.829 230 HA CYS 30 HA CYS 30 9.474 -2.055 -3.197 231 1HB CYS 30 2HB CYS 30 11.162 -0.857 -1.833 232 2HB CYS 30 1HB CYS 30 11.689 -0.016 -3.284 233 HG CYS 30 HG CYS 30 9.507 0.907 -1.552 234 H THR 31 H THR 31 8.197 -1.989 -4.918 235 HA THR 31 HA THR 31 9.110 -0.468 -7.275 236 HB THR 31 HB THR 31 8.671 -3.035 -7.515 237 HG1 THR 31 1HG THR 31 7.511 -1.048 -9.167 238 1HG2 THR 31 1HG2 THR 31 6.619 -3.876 -7.401 239 2HG2 THR 31 2HG2 THR 31 5.893 -2.466 -8.155 240 3HG2 THR 31 3HG2 THR 31 6.235 -2.459 -6.426 241 H THR 32 H THR 32 7.423 0.833 -8.333 242 HA THR 32 HA THR 32 5.155 1.346 -6.544 243 HB THR 32 HB THR 32 5.335 3.711 -6.877 244 HG1 THR 32 1HG THR 32 7.369 3.006 -8.698 245 1HG2 THR 32 1HG2 THR 32 8.178 3.327 -6.450 246 2HG2 THR 32 2HG2 THR 32 7.180 2.270 -5.459 247 3HG2 THR 32 3HG2 THR 32 6.955 4.018 -5.388 248 H PHE 33 H PHE 33 3.388 2.576 -7.568 249 HA PHE 33 HA PHE 33 3.071 1.984 -10.412 250 1HB PHE 33 2HB PHE 33 1.095 1.250 -8.260 251 2HB PHE 33 1HB PHE 33 0.825 1.077 -9.976 252 HD1 PHE 33 1HD PHE 33 1.357 -0.975 -10.993 253 HD2 PHE 33 2HD PHE 33 3.165 0.079 -7.293 254 HE1 PHE 33 1HE PHE 33 2.386 -3.203 -10.861 255 HE2 PHE 33 2HE PHE 33 4.200 -2.139 -7.155 256 HZ PHE 33 HZ PHE 33 3.804 -3.792 -8.942 257 H GLU 34 H GLU 34 0.845 2.991 -11.164 258 HA GLU 34 HA GLU 34 1.154 5.745 -10.998 259 1HB GLU 34 2HB GLU 34 -1.037 5.860 -12.168 260 2HB GLU 34 1HB GLU 34 0.111 4.746 -12.900 261 1HG GLU 34 2HG GLU 34 -1.652 3.366 -12.934 262 2HG GLU 34 1HG GLU 34 -1.182 3.066 -11.266 263 H ASN 35 H ASN 35 -1.422 3.789 -9.391 264 HA ASN 35 HA ASN 35 -1.526 5.668 -7.252 265 1HB ASN 35 2HB ASN 35 -3.368 5.990 -9.500 266 2HB ASN 35 1HB ASN 35 -4.159 5.939 -7.928 267 1HD2 ASN 35 1HD2 ASN 35 -3.875 8.150 -9.795 268 2HD2 ASN 35 2HD2 ASN 35 -3.077 9.412 -8.925 269 H GLY 36 H GLY 36 -2.871 2.902 -8.852 270 1HA GLY 36 2HA GLY 36 -3.062 1.370 -6.539 271 2HA GLY 36 1HA GLY 36 -4.641 2.093 -6.799 272 H ASN 37 H ASN 37 -5.165 1.973 -9.349 273 HA ASN 37 HA ASN 37 -5.836 -0.664 -9.850 274 1HB ASN 37 2HB ASN 37 -6.502 1.701 -10.979 275 2HB ASN 37 1HB ASN 37 -5.470 1.030 -12.238 276 1HD2 ASN 37 1HD2 ASN 37 -7.926 -0.236 -10.000 277 2HD2 ASN 37 2HD2 ASN 37 -8.835 -1.074 -11.206 278 H GLU 38 H GLU 38 -2.915 1.078 -10.658 279 HA GLU 38 HA GLU 38 -1.934 -0.655 -12.628 280 1HB GLU 38 2HB GLU 38 -0.916 1.533 -11.074 281 2HB GLU 38 1HB GLU 38 0.279 0.260 -11.161 282 1HG GLU 38 2HG GLU 38 -1.019 0.922 -13.705 283 2HG GLU 38 1HG GLU 38 -0.008 2.189 -13.011 284 H VAL 39 H VAL 39 -1.188 -0.656 -9.081 285 HA VAL 39 HA VAL 39 0.382 -2.948 -9.062 286 HB VAL 39 HB VAL 39 -1.668 -2.514 -6.902 287 1HG1 VAL 39 1HG1 VAL 39 1.123 -3.230 -6.307 288 2HG1 VAL 39 2HG1 VAL 39 0.192 -4.437 -7.194 289 3HG1 VAL 39 3HG1 VAL 39 -0.379 -3.852 -5.634 290 1HG2 VAL 39 1HG2 VAL 39 -0.649 -0.341 -7.326 291 2HG2 VAL 39 2HG2 VAL 39 0.949 -1.052 -7.170 292 3HG2 VAL 39 3HG2 VAL 39 -0.128 -1.004 -5.784 293 H LEU 40 H LEU 40 -3.125 -2.672 -8.883 294 HA LEU 40 HA LEU 40 -3.835 -5.306 -8.490 295 1HB LEU 40 2HB LEU 40 -5.293 -3.424 -10.334 296 2HB LEU 40 1HB LEU 40 -5.966 -4.747 -9.413 297 HG LEU 40 HG LEU 40 -4.905 -2.157 -8.303 298 1HD1 LEU 40 1HD1 LEU 40 -7.312 -2.054 -7.466 299 2HD1 LEU 40 2HD1 LEU 40 -7.645 -3.306 -8.661 300 3HD1 LEU 40 3HD1 LEU 40 -7.031 -1.742 -9.176 301 1HD2 LEU 40 1HD2 LEU 40 -6.156 -3.364 -6.234 302 2HD2 LEU 40 2HD2 LEU 40 -4.416 -3.430 -6.511 303 3HD2 LEU 40 3HD2 LEU 40 -5.447 -4.757 -7.047 304 H ALA 41 H ALA 41 -3.078 -3.674 -11.542 305 HA ALA 41 HA ALA 41 -3.688 -5.827 -13.243 306 1HB ALA 41 1HB ALA 41 -2.508 -4.631 -14.949 307 2HB ALA 41 2HB ALA 41 -1.656 -3.667 -13.742 308 3HB ALA 41 3HB ALA 41 -3.394 -3.467 -13.964 309 H ALA 42 H ALA 42 -0.607 -4.752 -11.922 310 HA ALA 42 HA ALA 42 0.901 -6.891 -13.016 311 1HB ALA 42 1HB ALA 42 2.735 -5.938 -12.008 312 2HB ALA 42 2HB ALA 42 1.821 -5.404 -10.597 313 3HB ALA 42 3HB ALA 42 1.659 -4.547 -12.129 314 H LEU 43 H LEU 43 -0.892 -6.398 -10.089 315 HA LEU 43 HA LEU 43 0.227 -8.438 -8.527 316 1HB LEU 43 2HB LEU 43 -2.226 -6.799 -8.474 317 2HB LEU 43 1HB LEU 43 -2.287 -8.305 -7.576 318 HG LEU 43 HG LEU 43 -0.024 -6.382 -7.185 319 1HD1 LEU 43 1HD1 LEU 43 -2.108 -5.131 -6.847 320 2HD1 LEU 43 2HD1 LEU 43 -1.234 -5.389 -5.334 321 3HD1 LEU 43 3HD1 LEU 43 -2.634 -6.369 -5.720 322 1HD2 LEU 43 1HD2 LEU 43 -0.915 -7.777 -4.866 323 2HD2 LEU 43 2HD2 LEU 43 0.621 -7.907 -5.716 324 3HD2 LEU 43 3HD2 LEU 43 -0.730 -8.928 -6.188 325 H ALA 44 H ALA 44 -2.034 -8.531 -11.129 326 HA ALA 44 HA ALA 44 -3.348 -10.934 -10.583 327 1HB ALA 44 1HB ALA 44 -3.416 -11.041 -13.200 328 2HB ALA 44 2HB ALA 44 -2.757 -9.414 -13.076 329 3HB ALA 44 3HB ALA 44 -4.306 -9.794 -12.330 330 H SER 45 H SER 45 -0.082 -10.364 -11.420 331 HA SER 45 HA SER 45 0.302 -13.220 -11.880 332 1HB SER 45 2HB SER 45 0.700 -12.051 -13.960 333 2HB SER 45 1HB SER 45 1.793 -10.926 -13.153 334 HG SER 45 HG SER 45 2.170 -13.705 -13.566 335 H LYS 46 H LYS 46 0.769 -10.929 -9.620 336 HA LYS 46 HA LYS 46 2.813 -12.436 -8.315 337 1HB LYS 46 2HB LYS 46 3.804 -10.545 -10.005 338 2HB LYS 46 1HB LYS 46 3.681 -9.630 -8.507 339 1HG LYS 46 2HG LYS 46 4.841 -12.020 -7.733 340 2HG LYS 46 1HG LYS 46 5.587 -11.662 -9.290 341 1HD LYS 46 2HD LYS 46 6.315 -9.513 -8.525 342 2HD LYS 46 1HD LYS 46 5.384 -9.673 -7.035 343 1HE LYS 46 2HE LYS 46 7.453 -10.245 -6.260 344 2HE LYS 46 1HE LYS 46 6.867 -11.834 -6.748 345 1HZ LYS 46 1HZ LYS 46 8.452 -11.996 -8.277 346 2HZ LYS 46 2HZ LYS 46 9.181 -10.642 -7.572 347 3HZ LYS 46 3HZ LYS 46 8.146 -10.451 -8.897 348 H THR 47 H THR 47 3.258 -11.672 -6.135 349 HA THR 47 HA THR 47 1.337 -9.757 -5.085 350 HB THR 47 HB THR 47 1.744 -12.546 -4.007 351 HG1 THR 47 1HG THR 47 -0.144 -12.983 -4.851 352 1HG2 THR 47 1HG2 THR 47 1.454 -10.936 -2.175 353 2HG2 THR 47 2HG2 THR 47 0.091 -12.046 -2.327 354 3HG2 THR 47 3HG2 THR 47 -0.050 -10.389 -2.917 355 HA PRO 48 HA PRO 48 5.204 -8.643 -3.028 356 1HB PRO 48 2HB PRO 48 4.359 -6.299 -2.005 357 2HB PRO 48 1HB PRO 48 4.743 -6.476 -3.722 358 1HG PRO 48 2HG PRO 48 2.070 -6.538 -2.367 359 2HG PRO 48 1HG PRO 48 2.550 -5.689 -3.847 360 1HD PRO 48 2HD PRO 48 1.238 -8.054 -3.887 361 2HD PRO 48 1HD PRO 48 2.402 -7.582 -5.138 362 H ASP 49 H ASP 49 5.801 -8.173 -0.754 363 HA ASP 49 HA ASP 49 4.241 -9.786 1.033 364 1HB ASP 49 2HB ASP 49 6.886 -8.451 1.103 365 2HB ASP 49 1HB ASP 49 6.091 -8.667 2.661 366 H VAL 50 H VAL 50 4.654 -6.372 0.423 367 HA VAL 50 HA VAL 50 2.493 -5.798 2.299 368 HB VAL 50 HB VAL 50 4.527 -5.510 3.620 369 1HG1 VAL 50 1HG1 VAL 50 5.692 -4.721 1.294 370 2HG1 VAL 50 2HG1 VAL 50 6.387 -4.490 2.898 371 3HG1 VAL 50 3HG1 VAL 50 5.495 -3.179 2.129 372 1HG2 VAL 50 1HG2 VAL 50 2.768 -3.243 2.937 373 2HG2 VAL 50 2HG2 VAL 50 4.219 -2.857 3.856 374 3HG2 VAL 50 3HG2 VAL 50 3.062 -4.024 4.487 375 H LEU 51 H LEU 51 1.041 -4.864 0.940 376 HA LEU 51 HA LEU 51 1.955 -3.115 -1.195 377 1HB LEU 51 2HB LEU 51 0.104 -4.808 -1.480 378 2HB LEU 51 1HB LEU 51 -0.895 -3.789 -0.466 379 HG LEU 51 HG LEU 51 -0.849 -2.010 -2.088 380 1HD1 LEU 51 1HD1 LEU 51 0.303 -2.662 -4.355 381 2HD1 LEU 51 2HD1 LEU 51 1.316 -3.646 -3.304 382 3HD1 LEU 51 3HD1 LEU 51 1.215 -1.902 -3.056 383 1HD2 LEU 51 1HD2 LEU 51 -2.611 -3.330 -2.720 384 2HD2 LEU 51 2HD2 LEU 51 -1.604 -4.742 -3.020 385 3HD2 LEU 51 3HD2 LEU 51 -1.640 -3.424 -4.184 386 H LEU 52 H LEU 52 1.738 -0.955 -1.295 387 HA LEU 52 HA LEU 52 0.507 0.426 1.009 388 1HB LEU 52 2HB LEU 52 3.132 0.375 0.677 389 2HB LEU 52 1HB LEU 52 2.785 1.622 -0.500 390 HG LEU 52 HG LEU 52 2.119 1.742 2.439 391 1HD1 LEU 52 1HD1 LEU 52 4.048 2.814 2.778 392 2HD1 LEU 52 2HD1 LEU 52 3.871 3.775 1.311 393 3HD1 LEU 52 3HD1 LEU 52 4.550 2.150 1.223 394 1HD2 LEU 52 1HD2 LEU 52 1.816 4.251 1.573 395 2HD2 LEU 52 2HD2 LEU 52 0.493 3.094 1.645 396 3HD2 LEU 52 3HD2 LEU 52 1.321 3.385 0.120 397 H SER 53 H SER 53 -1.112 1.774 0.420 398 HA SER 53 HA SER 53 -1.231 2.639 -2.393 399 1HB SER 53 2HB SER 53 -3.456 2.263 -0.393 400 2HB SER 53 1HB SER 53 -3.675 2.861 -2.031 401 HG SER 53 HG SER 53 -3.117 0.897 -2.831 402 H ASP 54 H ASP 54 -1.402 4.738 -2.924 403 HA ASP 54 HA ASP 54 -0.902 6.685 -0.854 404 1HB ASP 54 2HB ASP 54 0.312 6.791 -2.985 405 2HB ASP 54 1HB ASP 54 -1.205 7.071 -3.834 406 H ILE 55 H ILE 55 -3.698 5.458 -2.345 407 HA ILE 55 HA ILE 55 -5.853 6.219 -2.560 408 HB ILE 55 HB ILE 55 -5.817 5.690 -0.218 409 1HG1 ILE 55 2HG1 ILE 55 -7.127 8.378 -0.193 410 2HG1 ILE 55 1HG1 ILE 55 -7.728 7.132 -1.269 411 1HG2 ILE 55 1HG2 ILE 55 -5.319 7.412 1.487 412 2HG2 ILE 55 2HG2 ILE 55 -4.710 8.456 0.203 413 3HG2 ILE 55 3HG2 ILE 55 -3.916 6.918 0.543 414 1HD1 ILE 55 1HD1 ILE 55 -8.087 7.444 1.569 415 2HD1 ILE 55 2HD1 ILE 55 -7.490 5.841 1.149 416 3HD1 ILE 55 3HD1 ILE 55 -8.973 6.446 0.421 417 H ARG 56 H ARG 56 -5.002 7.742 -4.302 418 HA ARG 56 HA ARG 56 -5.344 10.542 -3.465 419 1HB ARG 56 2HB ARG 56 -3.150 9.698 -4.576 420 2HB ARG 56 1HB ARG 56 -4.083 9.750 -6.067 421 1HG ARG 56 2HG ARG 56 -4.348 12.062 -5.965 422 2HG ARG 56 1HG ARG 56 -3.940 12.125 -4.250 423 1HD ARG 56 2HD ARG 56 -1.663 11.086 -5.232 424 2HD ARG 56 1HD ARG 56 -2.189 12.040 -6.618 425 HE ARG 56 HE ARG 56 -2.075 13.317 -3.987 426 1HH1 ARG 56 1HH1 ARG 56 -0.770 12.984 -7.214 427 2HH1 ARG 56 2HH1 ARG 56 0.134 14.456 -7.128 428 1HH2 ARG 56 1HH2 ARG 56 -0.883 15.246 -3.879 429 2HH2 ARG 56 2HH2 ARG 56 0.075 15.738 -5.237 430 H MET 57 H MET 57 -7.663 9.115 -3.845 431 HA MET 57 HA MET 57 -9.666 9.204 -4.906 432 1HB MET 57 2HB MET 57 -8.503 11.756 -5.132 433 2HB MET 57 1HB MET 57 -9.247 11.416 -6.689 434 1HG MET 57 2HG MET 57 -10.681 11.135 -4.062 435 2HG MET 57 1HG MET 57 -10.699 12.600 -5.039 436 1HE MET 57 1HE MET 57 -12.836 12.972 -6.702 437 2HE MET 57 2HE MET 57 -12.793 11.834 -8.050 438 3HE MET 57 3HE MET 57 -11.307 12.610 -7.502 439 HA PRO 58 HA PRO 58 -7.658 7.573 -8.939 440 1HB PRO 58 2HB PRO 58 -7.845 4.910 -8.340 441 2HB PRO 58 1HB PRO 58 -6.399 5.881 -8.046 442 1HG PRO 58 2HG PRO 58 -8.558 5.076 -6.133 443 2HG PRO 58 1HG PRO 58 -6.802 5.115 -5.890 444 1HD PRO 58 2HD PRO 58 -8.432 7.047 -4.961 445 2HD PRO 58 1HD PRO 58 -6.783 7.391 -5.515 446 H GLY 59 H GLY 59 -9.818 5.216 -7.386 447 1HA GLY 59 2HA GLY 59 -11.795 5.756 -9.507 448 2HA GLY 59 1HA GLY 59 -11.543 4.184 -8.765 449 H MET 60 H MET 60 -11.276 5.432 -6.095 450 HA MET 60 HA MET 60 -13.821 6.649 -5.537 451 1HB MET 60 2HB MET 60 -14.155 4.076 -5.670 452 2HB MET 60 1HB MET 60 -13.298 4.043 -4.135 453 1HG MET 60 2HG MET 60 -15.591 4.051 -3.618 454 2HG MET 60 1HG MET 60 -15.002 5.675 -3.271 455 1HE MET 60 1HE MET 60 -16.240 7.293 -3.440 456 2HE MET 60 2HE MET 60 -17.750 7.486 -4.335 457 3HE MET 60 3HE MET 60 -16.226 8.014 -5.051 458 H ASP 61 H ASP 61 -11.952 8.098 -5.048 459 HA ASP 61 HA ASP 61 -10.853 9.335 -3.501 460 1HB ASP 61 2HB ASP 61 -12.799 7.988 -2.007 461 2HB ASP 61 1HB ASP 61 -11.299 7.802 -1.105 462 H GLY 62 H GLY 62 -10.426 5.906 -3.548 463 1HA GLY 62 2HA GLY 62 -7.919 5.467 -3.957 464 2HA GLY 62 1HA GLY 62 -7.768 6.118 -2.340 465 H LEU 63 H LEU 63 -10.414 4.930 -1.620 466 HA LEU 63 HA LEU 63 -9.400 2.418 -0.732 467 1HB LEU 63 2HB LEU 63 -12.241 3.385 -0.561 468 2HB LEU 63 1HB LEU 63 -11.484 2.136 0.410 469 HG LEU 63 HG LEU 63 -9.882 4.186 1.038 470 1HD1 LEU 63 1HD1 LEU 63 -12.405 5.378 0.036 471 2HD1 LEU 63 2HD1 LEU 63 -10.753 5.973 -0.067 472 3HD1 LEU 63 3HD1 LEU 63 -11.636 6.086 1.454 473 1HD2 LEU 63 1HD2 LEU 63 -10.976 4.266 3.101 474 2HD2 LEU 63 2HD2 LEU 63 -11.323 2.656 2.477 475 3HD2 LEU 63 3HD2 LEU 63 -12.545 3.915 2.384 476 H ALA 64 H ALA 64 -10.948 3.546 -3.522 477 HA ALA 64 HA ALA 64 -12.535 1.412 -4.324 478 1HB ALA 64 1HB ALA 64 -11.878 3.707 -5.460 479 2HB ALA 64 2HB ALA 64 -12.493 2.355 -6.402 480 3HB ALA 64 3HB ALA 64 -10.762 2.675 -6.344 481 H LEU 65 H LEU 65 -9.033 1.892 -4.650 482 HA LEU 65 HA LEU 65 -8.458 -0.444 -6.071 483 1HB LEU 65 2HB LEU 65 -6.157 -0.207 -5.227 484 2HB LEU 65 1HB LEU 65 -6.801 1.293 -5.858 485 HG LEU 65 HG LEU 65 -7.385 1.668 -3.283 486 1HD1 LEU 65 1HD1 LEU 65 -6.574 -0.301 -2.330 487 2HD1 LEU 65 2HD1 LEU 65 -5.323 0.897 -2.007 488 3HD1 LEU 65 3HD1 LEU 65 -5.106 -0.274 -3.308 489 1HD2 LEU 65 1HD2 LEU 65 -4.595 2.284 -3.631 490 2HD2 LEU 65 2HD2 LEU 65 -5.982 3.369 -3.588 491 3HD2 LEU 65 3HD2 LEU 65 -5.496 2.620 -5.106 492 H LEU 66 H LEU 66 -8.899 0.133 -2.628 493 HA LEU 66 HA LEU 66 -7.933 -2.275 -1.617 494 1HB LEU 66 2HB LEU 66 -9.970 -0.303 -0.719 495 2HB LEU 66 1HB LEU 66 -9.896 -1.847 0.104 496 HG LEU 66 HG LEU 66 -7.563 0.043 -0.195 497 1HD1 LEU 66 1HD1 LEU 66 -8.351 -0.245 2.495 498 2HD1 LEU 66 2HD1 LEU 66 -9.797 0.153 1.569 499 3HD1 LEU 66 3HD1 LEU 66 -8.383 1.201 1.491 500 1HD2 LEU 66 1HD2 LEU 66 -6.826 -1.493 1.795 501 2HD2 LEU 66 2HD2 LEU 66 -6.574 -1.993 0.125 502 3HD2 LEU 66 3HD2 LEU 66 -7.933 -2.639 1.041 503 H LYS 67 H LYS 67 -11.187 -1.462 -2.743 504 HA LYS 67 HA LYS 67 -12.450 -3.878 -2.259 505 1HB LYS 67 2HB LYS 67 -13.296 -1.591 -3.289 506 2HB LYS 67 1HB LYS 67 -13.054 -2.448 -4.806 507 1HG LYS 67 2HG LYS 67 -15.275 -2.867 -4.320 508 2HG LYS 67 1HG LYS 67 -14.465 -4.313 -3.712 509 1HD LYS 67 2HD LYS 67 -14.544 -3.479 -1.458 510 2HD LYS 67 1HD LYS 67 -15.178 -1.926 -2.010 511 1HE LYS 67 2HE LYS 67 -17.053 -3.503 -3.043 512 2HE LYS 67 1HE LYS 67 -16.541 -4.549 -1.720 513 1HZ LYS 67 1HZ LYS 67 -17.767 -3.332 -0.356 514 2HZ LYS 67 2HZ LYS 67 -18.211 -2.294 -1.616 515 3HZ LYS 67 3HZ LYS 67 -16.826 -1.967 -0.699 516 H GLN 68 H GLN 68 -10.540 -2.903 -5.092 517 HA GLN 68 HA GLN 68 -10.937 -5.288 -6.556 518 1HB GLN 68 2HB GLN 68 -8.540 -3.471 -6.759 519 2HB GLN 68 1HB GLN 68 -9.185 -4.532 -8.002 520 1HG GLN 68 2HG GLN 68 -10.622 -2.139 -6.885 521 2HG GLN 68 1HG GLN 68 -9.675 -2.142 -8.372 522 1HE2 GLN 68 1HE2 GLN 68 -10.675 -2.649 -10.199 523 2HE2 GLN 68 2HE2 GLN 68 -12.244 -3.363 -10.323 524 H ILE 69 H ILE 69 -8.775 -4.381 -4.009 525 HA ILE 69 HA ILE 69 -6.778 -6.323 -4.358 526 HB ILE 69 HB ILE 69 -7.713 -4.901 -1.872 527 1HG1 ILE 69 2HG1 ILE 69 -5.335 -4.354 -3.644 528 2HG1 ILE 69 1HG1 ILE 69 -6.857 -3.508 -3.757 529 1HG2 ILE 69 1HG2 ILE 69 -6.299 -6.070 -0.643 530 2HG2 ILE 69 2HG2 ILE 69 -4.975 -5.702 -1.740 531 3HG2 ILE 69 3HG2 ILE 69 -5.991 -7.113 -2.025 532 1HD1 ILE 69 1HD1 ILE 69 -6.091 -2.069 -2.286 533 2HD1 ILE 69 2HD1 ILE 69 -4.643 -3.032 -2.033 534 3HD1 ILE 69 3HD1 ILE 69 -6.092 -3.351 -1.086 535 H LYS 70 H LYS 70 -9.830 -6.381 -2.643 536 HA LYS 70 HA LYS 70 -9.386 -8.930 -1.449 537 1HB LYS 70 2HB LYS 70 -11.639 -8.793 -0.652 538 2HB LYS 70 1HB LYS 70 -10.910 -7.203 -0.500 539 1HG LYS 70 2HG LYS 70 -12.177 -6.313 -2.221 540 2HG LYS 70 1HG LYS 70 -12.564 -7.899 -2.891 541 1HD LYS 70 2HD LYS 70 -13.496 -7.717 -0.179 542 2HD LYS 70 1HD LYS 70 -14.098 -6.348 -1.114 543 1HE LYS 70 2HE LYS 70 -15.194 -7.734 -2.652 544 2HE LYS 70 1HE LYS 70 -14.282 -9.157 -2.151 545 1HZ LYS 70 1HZ LYS 70 -15.613 -9.495 -0.365 546 2HZ LYS 70 2HZ LYS 70 -16.743 -8.724 -1.355 547 3HZ LYS 70 3HZ LYS 70 -15.951 -7.854 -0.140 548 H GLN 71 H GLN 71 -10.733 -7.790 -4.417 549 HA GLN 71 HA GLN 71 -11.888 -10.337 -5.085 550 1HB GLN 71 2HB GLN 71 -13.215 -8.649 -5.927 551 2HB GLN 71 1HB GLN 71 -11.847 -7.622 -6.311 552 1HG GLN 71 2HG GLN 71 -11.777 -9.981 -7.946 553 2HG GLN 71 1HG GLN 71 -13.362 -9.221 -8.045 554 1HE2 GLN 71 1HE2 GLN 71 -10.344 -7.521 -7.456 555 2HE2 GLN 71 2HE2 GLN 71 -10.336 -6.644 -8.945 556 H ARG 72 H ARG 72 -9.019 -8.516 -5.747 557 HA ARG 72 HA ARG 72 -8.138 -10.343 -7.822 558 1HB ARG 72 2HB ARG 72 -7.081 -7.784 -6.704 559 2HB ARG 72 1HB ARG 72 -6.038 -8.825 -7.661 560 1HG ARG 72 2HG ARG 72 -8.012 -8.733 -9.372 561 2HG ARG 72 1HG ARG 72 -8.427 -7.259 -8.491 562 1HD ARG 72 2HD ARG 72 -6.450 -6.210 -9.063 563 2HD ARG 72 1HD ARG 72 -5.629 -7.721 -9.424 564 HE ARG 72 HE ARG 72 -6.635 -7.752 -11.528 565 1HH1 ARG 72 1HH1 ARG 72 -7.775 -5.018 -9.671 566 2HH1 ARG 72 2HH1 ARG 72 -8.297 -4.138 -11.066 567 1HH2 ARG 72 1HH2 ARG 72 -7.332 -6.595 -13.352 568 2HH2 ARG 72 2HH2 ARG 72 -8.053 -5.034 -13.153 569 H HIS 73 H HIS 73 -6.519 -9.061 -4.962 570 HA HIS 73 HA HIS 73 -4.950 -11.497 -4.782 571 1HB HIS 73 2HB HIS 73 -4.395 -9.770 -2.571 572 2HB HIS 73 1HB HIS 73 -3.358 -10.203 -3.917 573 HD1 HIS 73 1HD HIS 73 -3.912 -7.355 -2.337 574 HD2 HIS 73 2HD HIS 73 -4.789 -8.370 -6.248 575 HE1 HIS 73 1HE HIS 73 -3.952 -5.192 -3.599 576 HE2 HIS 73 2HE HIS 73 -4.404 -5.848 -5.983 577 HA PRO 74 HA PRO 74 -7.390 -13.620 -1.814 578 1HB PRO 74 2HB PRO 74 -4.837 -14.272 -0.443 579 2HB PRO 74 1HB PRO 74 -6.100 -15.347 -1.048 580 1HG PRO 74 2HG PRO 74 -3.779 -15.095 -2.340 581 2HG PRO 74 1HG PRO 74 -5.307 -15.278 -3.221 582 1HD PRO 74 2HD PRO 74 -3.659 -12.828 -2.771 583 2HD PRO 74 1HD PRO 74 -4.594 -13.316 -4.199 584 H MET 75 H MET 75 -4.565 -12.452 0.032 585 HA MET 75 HA MET 75 -6.296 -10.724 1.616 586 1HB MET 75 2HB MET 75 -4.945 -13.186 2.632 587 2HB MET 75 1HB MET 75 -5.055 -11.788 3.690 588 1HG MET 75 2HG MET 75 -7.227 -12.104 4.079 589 2HG MET 75 1HG MET 75 -7.575 -12.461 2.388 590 1HE MET 75 1HE MET 75 -8.814 -14.414 5.243 591 2HE MET 75 2HE MET 75 -7.452 -13.407 5.737 592 3HE MET 75 3HE MET 75 -7.345 -15.162 5.873 593 H LEU 76 H LEU 76 -4.293 -10.056 -0.218 594 HA LEU 76 HA LEU 76 -1.772 -9.610 0.940 595 1HB LEU 76 2HB LEU 76 -2.298 -9.508 -1.493 596 2HB LEU 76 1HB LEU 76 -3.121 -7.989 -1.205 597 HG LEU 76 HG LEU 76 -0.910 -7.111 -0.309 598 1HD1 LEU 76 1HD1 LEU 76 0.763 -8.544 -0.078 599 2HD1 LEU 76 2HD1 LEU 76 0.807 -8.727 -1.830 600 3HD1 LEU 76 3HD1 LEU 76 -0.169 -9.824 -0.852 601 1HD2 LEU 76 1HD2 LEU 76 -1.965 -7.237 -2.880 602 2HD2 LEU 76 2HD2 LEU 76 -0.268 -7.636 -3.070 603 3HD2 LEU 76 3HD2 LEU 76 -0.732 -6.132 -2.295 604 HA PRO 77 HA PRO 77 -2.863 -6.299 3.730 605 1HB PRO 77 2HB PRO 77 -0.359 -5.599 4.476 606 2HB PRO 77 1HB PRO 77 -1.152 -7.065 5.066 607 1HG PRO 77 2HG PRO 77 0.861 -6.754 2.872 608 2HG PRO 77 1HG PRO 77 0.773 -7.987 4.143 609 1HD PRO 77 2HD PRO 77 -0.080 -8.427 1.607 610 2HD PRO 77 1HD PRO 77 -0.816 -9.214 3.016 611 H VAL 78 H VAL 78 -3.277 -4.203 3.404 612 HA VAL 78 HA VAL 78 -1.633 -2.740 1.446 613 HB VAL 78 HB VAL 78 -4.559 -2.195 1.866 614 1HG1 VAL 78 1HG1 VAL 78 -2.417 -1.187 0.118 615 2HG1 VAL 78 2HG1 VAL 78 -3.858 -0.380 0.734 616 3HG1 VAL 78 3HG1 VAL 78 -3.977 -1.454 -0.659 617 1HG2 VAL 78 1HG2 VAL 78 -5.211 -3.737 0.331 618 2HG2 VAL 78 2HG2 VAL 78 -3.790 -4.583 0.931 619 3HG2 VAL 78 3HG2 VAL 78 -3.695 -3.654 -0.563 620 H ILE 79 H ILE 79 -1.285 -0.533 1.836 621 HA ILE 79 HA ILE 79 -2.098 0.414 4.503 622 HB ILE 79 HB ILE 79 0.566 1.021 3.231 623 1HG1 ILE 79 2HG1 ILE 79 0.757 -0.543 5.633 624 2HG1 ILE 79 1HG1 ILE 79 -0.261 -1.383 4.468 625 1HG2 ILE 79 1HG2 ILE 79 -0.877 2.120 5.445 626 2HG2 ILE 79 2HG2 ILE 79 0.684 2.604 4.782 627 3HG2 ILE 79 3HG2 ILE 79 0.602 1.352 6.020 628 1HD1 ILE 79 1HD1 ILE 79 1.915 -2.138 4.106 629 2HD1 ILE 79 2HD1 ILE 79 2.588 -0.513 4.158 630 3HD1 ILE 79 3HD1 ILE 79 1.593 -1.014 2.790 631 H ILE 80 H ILE 80 -3.400 2.078 4.275 632 HA ILE 80 HA ILE 80 -3.127 3.815 1.935 633 HB ILE 80 HB ILE 80 -5.339 3.931 3.968 634 1HG1 ILE 80 2HG1 ILE 80 -5.099 1.612 3.059 635 2HG1 ILE 80 1HG1 ILE 80 -6.615 2.383 2.620 636 1HG2 ILE 80 1HG2 ILE 80 -6.108 5.550 2.663 637 2HG2 ILE 80 2HG2 ILE 80 -6.109 4.466 1.277 638 3HG2 ILE 80 3HG2 ILE 80 -4.671 5.408 1.659 639 1HD1 ILE 80 1HD1 ILE 80 -4.989 3.040 0.524 640 2HD1 ILE 80 2HD1 ILE 80 -6.157 1.717 0.554 641 3HD1 ILE 80 3HD1 ILE 80 -4.465 1.411 0.942 642 H MET 81 H MET 81 -2.659 5.970 2.064 643 HA MET 81 HA MET 81 -1.318 6.868 4.431 644 1HB MET 81 2HB MET 81 -0.726 8.817 3.173 645 2HB MET 81 1HB MET 81 -0.590 7.424 2.111 646 1HG MET 81 2HG MET 81 -2.020 8.290 0.672 647 2HG MET 81 1HG MET 81 -3.220 8.560 1.931 648 1HE MET 81 1HE MET 81 -3.698 10.570 -0.058 649 2HE MET 81 2HE MET 81 -2.138 10.310 -0.839 650 3HE MET 81 3HE MET 81 -2.584 11.921 -0.276 651 H THR 82 H THR 82 -4.488 7.453 3.045 652 HA THR 82 HA THR 82 -5.233 8.903 5.467 653 HB THR 82 HB THR 82 -5.810 10.054 2.736 654 HG1 THR 82 1HG THR 82 -4.198 11.529 3.168 655 1HG2 THR 82 1HG2 THR 82 -5.913 12.075 4.598 656 2HG2 THR 82 2HG2 THR 82 -6.710 10.725 5.402 657 3HG2 THR 82 3HG2 THR 82 -7.290 11.282 3.835 658 H ALA 83 H ALA 83 -7.547 9.094 5.771 659 HA ALA 83 HA ALA 83 -9.067 7.098 4.218 660 1HB ALA 83 1HB ALA 83 -8.570 7.274 7.028 661 2HB ALA 83 2HB ALA 83 -9.424 6.023 6.124 662 3HB ALA 83 3HB ALA 83 -10.301 7.432 6.725 663 H HIS 84 H HIS 84 -8.764 10.318 4.689 664 HA HIS 84 HA HIS 84 -10.210 12.111 4.930 665 1HB HIS 84 2HB HIS 84 -11.639 11.996 2.624 666 2HB HIS 84 1HB HIS 84 -9.966 12.516 2.748 667 HD1 HIS 84 1HD HIS 84 -11.415 9.007 2.631 668 HD2 HIS 84 2HD HIS 84 -8.775 11.463 0.572 669 HE1 HIS 84 1HE HIS 84 -10.444 7.579 0.818 670 HE2 HIS 84 2HE HIS 84 -8.956 9.119 -0.508 671 H SER 85 H SER 85 -12.696 10.405 3.101 672 HA SER 85 HA SER 85 -14.353 10.345 5.523 673 1HB SER 85 2HB SER 85 -15.290 11.515 2.901 674 2HB SER 85 1HB SER 85 -16.204 11.430 4.406 675 HG SER 85 HG SER 85 -15.279 13.482 4.138 676 H ASP 86 H ASP 86 -13.614 8.973 2.419 677 HA ASP 86 HA ASP 86 -15.950 7.302 2.310 678 1HB ASP 86 2HB ASP 86 -13.731 7.942 0.585 679 2HB ASP 86 1HB ASP 86 -13.959 6.197 0.653 680 H LEU 87 H LEU 87 -14.269 7.106 4.742 681 HA LEU 87 HA LEU 87 -12.648 4.932 4.953 682 1HB LEU 87 2HB LEU 87 -14.093 6.588 6.715 683 2HB LEU 87 1HB LEU 87 -14.442 4.939 7.194 684 HG LEU 87 HG LEU 87 -11.649 6.031 6.865 685 1HD1 LEU 87 1HD1 LEU 87 -11.553 6.265 9.244 686 2HD1 LEU 87 2HD1 LEU 87 -13.179 5.606 9.426 687 3HD1 LEU 87 3HD1 LEU 87 -12.944 7.177 8.658 688 1HD2 LEU 87 1HD2 LEU 87 -11.040 3.904 7.042 689 2HD2 LEU 87 2HD2 LEU 87 -12.719 3.402 7.231 690 3HD2 LEU 87 3HD2 LEU 87 -11.772 3.856 8.646 691 H ASP 88 H ASP 88 -16.027 4.875 4.277 692 HA ASP 88 HA ASP 88 -16.888 2.470 5.259 693 1HB ASP 88 2HB ASP 88 -17.917 4.297 3.523 694 2HB ASP 88 1HB ASP 88 -17.648 2.927 2.447 695 H ALA 89 H ALA 89 -15.259 2.950 2.123 696 HA ALA 89 HA ALA 89 -15.112 0.219 1.466 697 1HB ALA 89 1HB ALA 89 -13.635 2.640 0.517 698 2HB ALA 89 2HB ALA 89 -14.850 1.683 -0.327 699 3HB ALA 89 3HB ALA 89 -13.228 1.030 -0.079 700 H ALA 90 H ALA 90 -13.287 2.131 3.652 701 HA ALA 90 HA ALA 90 -10.875 0.630 3.613 702 1HB ALA 90 1HB ALA 90 -10.311 1.765 5.659 703 2HB ALA 90 2HB ALA 90 -11.985 2.246 5.904 704 3HB ALA 90 3HB ALA 90 -11.065 2.920 4.563 705 H VAL 91 H VAL 91 -13.932 0.321 5.318 706 HA VAL 91 HA VAL 91 -13.069 -1.564 7.216 707 HB VAL 91 HB VAL 91 -15.866 -1.580 6.151 708 1HG1 VAL 91 1HG1 VAL 91 -14.395 -2.517 8.521 709 2HG1 VAL 91 2HG1 VAL 91 -15.886 -3.130 7.787 710 3HG1 VAL 91 3HG1 VAL 91 -15.946 -1.736 8.865 711 1HG2 VAL 91 1HG2 VAL 91 -16.154 0.180 8.091 712 2HG2 VAL 91 2HG2 VAL 91 -15.722 0.698 6.463 713 3HG2 VAL 91 3HG2 VAL 91 -14.477 0.557 7.703 714 H SER 92 H SER 92 -14.537 -1.982 4.005 715 HA SER 92 HA SER 92 -14.560 -4.799 4.059 716 1HB SER 92 2HB SER 92 -14.960 -4.720 1.714 717 2HB SER 92 1HB SER 92 -15.745 -3.287 2.379 718 HG SER 92 HG SER 92 -14.578 -2.631 0.615 719 H ALA 93 H ALA 93 -12.034 -2.547 3.862 720 HA ALA 93 HA ALA 93 -10.154 -4.135 2.443 721 1HB ALA 93 1HB ALA 93 -10.163 -1.615 2.651 722 2HB ALA 93 2HB ALA 93 -8.612 -2.416 2.870 723 3HB ALA 93 3HB ALA 93 -9.519 -1.860 4.273 724 H TYR 94 H TYR 94 -10.526 -3.256 5.841 725 HA TYR 94 HA TYR 94 -8.392 -4.750 6.843 726 1HB TYR 94 2HB TYR 94 -10.919 -4.428 8.426 727 2HB TYR 94 1HB TYR 94 -9.253 -4.396 8.991 728 HD1 TYR 94 1HD TYR 94 -12.035 -2.419 8.524 729 HD2 TYR 94 2HD TYR 94 -7.842 -2.415 7.743 730 HE1 TYR 94 1HE TYR 94 -12.049 0.036 8.439 731 HE2 TYR 94 2HE TYR 94 -7.854 0.041 7.656 732 HH TYR 94 HH TYR 94 -9.086 1.892 7.793 733 H GLN 95 H GLN 95 -11.623 -5.675 6.003 734 HA GLN 95 HA GLN 95 -11.468 -8.267 7.229 735 1HB GLN 95 2HB GLN 95 -13.614 -8.695 6.211 736 2HB GLN 95 1HB GLN 95 -13.606 -7.079 6.904 737 1HG GLN 95 2HG GLN 95 -14.625 -6.701 4.900 738 2HG GLN 95 1HG GLN 95 -12.946 -6.351 4.514 739 1HE2 GLN 95 1HE2 GLN 95 -14.177 -6.759 2.360 740 2HE2 GLN 95 2HE2 GLN 95 -14.025 -8.365 1.734 741 H GLN 96 H GLN 96 -10.796 -6.958 4.042 742 HA GLN 96 HA GLN 96 -10.527 -9.572 2.880 743 1HB GLN 96 2HB GLN 96 -9.831 -8.401 0.839 744 2HB GLN 96 1HB GLN 96 -11.349 -7.781 1.471 745 1HG GLN 96 2HG GLN 96 -10.421 -5.784 1.147 746 2HG GLN 96 1HG GLN 96 -9.577 -6.117 2.651 747 1HE2 GLN 96 1HE2 GLN 96 -7.747 -4.991 2.219 748 2HE2 GLN 96 2HE2 GLN 96 -6.632 -5.415 0.972 749 H GLY 97 H GLY 97 -8.523 -7.484 4.681 750 1HA GLY 97 2HA GLY 97 -6.475 -8.786 5.399 751 2HA GLY 97 1HA GLY 97 -6.130 -8.898 3.684 752 H ALA 98 H ALA 98 -7.467 -5.881 4.394 753 HA ALA 98 HA ALA 98 -5.182 -4.457 3.682 754 1HB ALA 98 1HB ALA 98 -7.340 -3.309 5.425 755 2HB ALA 98 2HB ALA 98 -7.600 -3.675 3.721 756 3HB ALA 98 3HB ALA 98 -6.374 -2.503 4.190 757 H PHE 99 H PHE 99 -3.775 -3.102 4.918 758 HA PHE 99 HA PHE 99 -2.976 -4.331 7.383 759 1HB PHE 99 2HB PHE 99 -1.385 -3.515 5.593 760 2HB PHE 99 1HB PHE 99 -1.772 -1.878 6.115 761 HD1 PHE 99 1HD PHE 99 -0.841 -5.113 7.735 762 HD2 PHE 99 2HD PHE 99 -0.234 -0.911 7.490 763 HE1 PHE 99 1HE PHE 99 0.874 -5.261 9.489 764 HE2 PHE 99 2HE PHE 99 1.484 -1.052 9.242 765 HZ PHE 99 HZ PHE 99 2.041 -3.228 10.244 766 H ASP 100 H ASP 100 -3.893 -1.021 6.413 767 HA ASP 100 HA ASP 100 -5.585 -0.457 8.518 768 1HB ASP 100 2HB ASP 100 -4.255 0.716 10.152 769 2HB ASP 100 1HB ASP 100 -3.526 -0.867 9.922 770 H TYR 101 H TYR 101 -4.897 2.204 9.142 771 HA TYR 101 HA TYR 101 -4.636 3.568 6.566 772 1HB TYR 101 2HB TYR 101 -7.075 3.443 8.235 773 2HB TYR 101 1HB TYR 101 -6.625 5.050 7.677 774 HD1 TYR 101 1HD TYR 101 -7.532 1.645 6.567 775 HD2 TYR 101 2HD TYR 101 -6.946 5.708 5.436 776 HE1 TYR 101 1HE TYR 101 -8.614 1.198 4.403 777 HE2 TYR 101 2HE TYR 101 -8.018 5.272 3.265 778 HH TYR 101 HH TYR 101 -9.588 2.214 2.594 779 H LEU 102 H LEU 102 -4.085 5.816 6.762 780 HA LEU 102 HA LEU 102 -2.797 6.420 9.326 781 1HB LEU 102 2HB LEU 102 -2.062 6.760 6.574 782 2HB LEU 102 1HB LEU 102 -2.072 8.321 7.370 783 HG LEU 102 HG LEU 102 -0.498 7.515 9.041 784 1HD1 LEU 102 1HD1 LEU 102 -0.038 4.988 7.567 785 2HD1 LEU 102 2HD1 LEU 102 -1.422 5.065 8.659 786 3HD1 LEU 102 3HD1 LEU 102 0.205 5.367 9.271 787 1HD2 LEU 102 1HD2 LEU 102 0.019 7.762 6.243 788 2HD2 LEU 102 2HD2 LEU 102 1.146 6.605 6.954 789 3HD2 LEU 102 3HD2 LEU 102 1.021 8.236 7.614 790 HA PRO 103 HA PRO 103 -6.180 9.259 10.134 791 1HB PRO 103 2HB PRO 103 -4.218 10.375 12.067 792 2HB PRO 103 1HB PRO 103 -5.880 9.839 12.331 793 1HG PRO 103 2HG PRO 103 -3.818 8.365 13.155 794 2HG PRO 103 1HG PRO 103 -5.279 7.610 12.492 795 1HD PRO 103 2HD PRO 103 -2.607 8.021 11.217 796 2HD PRO 103 1HD PRO 103 -3.731 6.653 11.071 797 H LYS 104 H LYS 104 -3.070 10.917 10.693 798 HA LYS 104 HA LYS 104 -3.811 12.806 8.570 799 1HB LYS 104 2HB LYS 104 -2.948 13.418 11.376 800 2HB LYS 104 1HB LYS 104 -2.662 14.571 10.080 801 1HG LYS 104 2HG LYS 104 -5.395 13.456 10.385 802 2HG LYS 104 1HG LYS 104 -4.838 14.640 11.568 803 1HD LYS 104 2HD LYS 104 -4.101 15.649 9.052 804 2HD LYS 104 1HD LYS 104 -5.750 15.045 8.871 805 1HE LYS 104 2HE LYS 104 -6.571 16.463 10.547 806 2HE LYS 104 1HE LYS 104 -4.960 16.784 11.185 807 1HZ LYS 104 1HZ LYS 104 -4.646 17.749 8.765 808 2HZ LYS 104 2HZ LYS 104 -5.287 18.684 10.020 809 3HZ LYS 104 3HZ LYS 104 -6.320 17.965 8.888 810 HA PRO 105 HA PRO 105 1.067 12.983 9.039 811 1HB PRO 105 2HB PRO 105 1.435 10.430 10.527 812 2HB PRO 105 1HB PRO 105 2.353 11.936 10.634 813 1HG PRO 105 2HG PRO 105 0.628 11.267 12.543 814 2HG PRO 105 1HG PRO 105 0.784 12.950 12.007 815 1HD PRO 105 2HD PRO 105 -1.343 10.946 11.388 816 2HD PRO 105 1HD PRO 105 -1.483 12.690 11.676 817 H PHE 106 H PHE 106 2.587 11.797 7.718 818 HA PHE 106 HA PHE 106 1.995 9.227 6.678 819 1HB PHE 106 2HB PHE 106 0.231 10.396 5.481 820 2HB PHE 106 1HB PHE 106 1.379 11.590 4.888 821 HD1 PHE 106 1HD PHE 106 1.550 11.359 2.604 822 HD2 PHE 106 2HD PHE 106 1.511 7.865 5.032 823 HE1 PHE 106 1HE PHE 106 1.965 9.974 0.613 824 HE2 PHE 106 2HE PHE 106 1.927 6.474 3.045 825 HZ PHE 106 HZ PHE 106 2.154 7.529 0.833 826 H ASP 107 H ASP 107 3.229 11.396 4.285 827 HA ASP 107 HA ASP 107 5.282 11.404 3.277 828 1HB ASP 107 2HB ASP 107 7.085 12.282 4.708 829 2HB ASP 107 1HB ASP 107 5.575 13.151 4.955 830 H ILE 108 H ILE 108 7.778 10.631 3.814 831 HA ILE 108 HA ILE 108 7.614 7.811 3.658 832 HB ILE 108 HB ILE 108 9.627 9.787 3.196 833 1HG1 ILE 108 2HG1 ILE 108 10.468 8.084 1.664 834 2HG1 ILE 108 1HG1 ILE 108 9.460 6.873 2.445 835 1HG2 ILE 108 1HG2 ILE 108 10.469 7.427 4.842 836 2HG2 ILE 108 2HG2 ILE 108 10.843 9.129 5.093 837 3HG2 ILE 108 3HG2 ILE 108 11.576 8.254 3.752 838 1HD1 ILE 108 1HD1 ILE 108 8.657 7.910 0.236 839 2HD1 ILE 108 2HD1 ILE 108 8.237 9.309 1.224 840 3HD1 ILE 108 3HD1 ILE 108 7.504 7.739 1.563 841 H ASP 109 H ASP 109 8.670 9.984 6.176 842 HA ASP 109 HA ASP 109 9.761 8.240 7.986 843 1HB ASP 109 2HB ASP 109 9.521 10.756 8.206 844 2HB ASP 109 1HB ASP 109 7.897 10.458 8.814 845 H GLU 110 H GLU 110 6.305 9.197 7.998 846 HA GLU 110 HA GLU 110 5.651 7.122 9.828 847 1HB GLU 110 2HB GLU 110 3.934 9.036 8.261 848 2HB GLU 110 1HB GLU 110 3.262 7.814 9.323 849 1HG GLU 110 2HG GLU 110 5.331 9.523 10.519 850 2HG GLU 110 1HG GLU 110 3.830 10.335 10.071 851 H ALA 111 H ALA 111 5.511 7.508 6.370 852 HA ALA 111 HA ALA 111 3.836 5.290 5.843 853 1HB ALA 111 1HB ALA 111 5.867 6.680 4.106 854 2HB ALA 111 2HB ALA 111 4.125 6.957 4.153 855 3HB ALA 111 3HB ALA 111 4.760 5.432 3.533 856 H VAL 112 H VAL 112 7.380 5.616 5.475 857 HA VAL 112 HA VAL 112 7.875 2.896 5.046 858 HB VAL 112 HB VAL 112 9.762 4.839 6.367 859 1HG1 VAL 112 1HG1 VAL 112 10.005 2.108 5.878 860 2HG1 VAL 112 2HG1 VAL 112 11.309 3.234 6.255 861 3HG1 VAL 112 3HG1 VAL 112 10.910 2.877 4.573 862 1HG2 VAL 112 1HG2 VAL 112 10.449 4.628 3.693 863 2HG2 VAL 112 2HG2 VAL 112 9.639 5.990 4.461 864 3HG2 VAL 112 3HG2 VAL 112 8.691 4.736 3.680 865 H ALA 113 H ALA 113 7.431 4.734 7.941 866 HA ALA 113 HA ALA 113 8.443 2.914 9.831 867 1HB ALA 113 1HB ALA 113 6.111 4.767 10.247 868 2HB ALA 113 2HB ALA 113 7.783 5.322 10.211 869 3HB ALA 113 3HB ALA 113 7.260 4.187 11.451 870 H LEU 114 H LEU 114 5.249 3.402 8.459 871 HA LEU 114 HA LEU 114 4.047 1.257 9.901 872 1HB LEU 114 2HB LEU 114 2.849 3.312 9.227 873 2HB LEU 114 1HB LEU 114 3.012 2.827 7.551 874 HG LEU 114 HG LEU 114 1.665 0.784 8.082 875 1HD1 LEU 114 1HD1 LEU 114 1.819 0.433 10.359 876 2HD1 LEU 114 2HD1 LEU 114 0.223 1.161 10.204 877 3HD1 LEU 114 3HD1 LEU 114 1.589 2.136 10.743 878 1HD2 LEU 114 1HD2 LEU 114 0.850 3.177 7.302 879 2HD2 LEU 114 2HD2 LEU 114 0.017 3.129 8.853 880 3HD2 LEU 114 3HD2 LEU 114 -0.289 1.879 7.650 881 H VAL 115 H VAL 115 5.729 1.537 6.902 882 HA VAL 115 HA VAL 115 4.502 -0.783 5.740 883 HB VAL 115 HB VAL 115 5.499 1.091 4.369 884 1HG1 VAL 115 1HG1 VAL 115 7.668 1.072 5.700 885 2HG1 VAL 115 2HG1 VAL 115 7.806 1.194 3.951 886 3HG1 VAL 115 3HG1 VAL 115 8.105 -0.346 4.756 887 1HG2 VAL 115 1HG2 VAL 115 4.995 -0.542 2.923 888 2HG2 VAL 115 2HG2 VAL 115 5.688 -1.796 3.950 889 3HG2 VAL 115 3HG2 VAL 115 6.732 -0.844 2.899 890 H GLU 116 H GLU 116 7.614 -0.096 7.277 891 HA GLU 116 HA GLU 116 8.681 -2.694 6.956 892 1HB GLU 116 2HB GLU 116 9.307 -0.542 8.985 893 2HB GLU 116 1HB GLU 116 10.257 -2.005 8.765 894 1HG GLU 116 2HG GLU 116 10.897 -1.354 6.572 895 2HG GLU 116 1HG GLU 116 9.755 -0.011 6.575 896 H ARG 117 H ARG 117 6.935 -1.143 9.623 897 HA ARG 117 HA ARG 117 7.056 -3.280 11.428 898 1HB ARG 117 2HB ARG 117 5.078 -1.038 11.071 899 2HB ARG 117 1HB ARG 117 4.921 -2.223 12.361 900 1HG ARG 117 2HG ARG 117 6.933 -1.532 13.375 901 2HG ARG 117 1HG ARG 117 7.410 -0.594 11.960 902 1HD ARG 117 2HD ARG 117 6.654 1.013 13.474 903 2HD ARG 117 1HD ARG 117 5.290 0.769 12.386 904 HE ARG 117 HE ARG 117 5.410 -0.655 14.951 905 1HH1 ARG 117 1HH1 ARG 117 3.810 1.618 12.826 906 2HH1 ARG 117 2HH1 ARG 117 2.369 1.675 13.781 907 1HH2 ARG 117 1HH2 ARG 117 3.516 -0.568 16.201 908 2HH2 ARG 117 2HH2 ARG 117 2.201 0.441 15.694 909 H ALA 118 H ALA 118 5.163 -2.787 8.597 910 HA ALA 118 HA ALA 118 3.099 -4.643 9.195 911 1HB ALA 118 1HB ALA 118 2.428 -4.392 6.902 912 2HB ALA 118 2HB ALA 118 3.990 -3.692 6.479 913 3HB ALA 118 3HB ALA 118 2.884 -2.808 7.531 914 H ILE 119 H ILE 119 6.042 -4.823 7.200 915 HA ILE 119 HA ILE 119 5.692 -7.515 6.447 916 HB ILE 119 HB ILE 119 8.331 -6.088 6.711 917 1HG1 ILE 119 2HG1 ILE 119 6.960 -6.158 4.087 918 2HG1 ILE 119 1HG1 ILE 119 6.271 -5.067 5.285 919 1HG2 ILE 119 1HG2 ILE 119 8.790 -7.567 4.661 920 2HG2 ILE 119 2HG2 ILE 119 7.378 -8.483 5.188 921 3HG2 ILE 119 3HG2 ILE 119 8.774 -8.324 6.255 922 1HD1 ILE 119 1HD1 ILE 119 8.265 -3.840 5.458 923 2HD1 ILE 119 2HD1 ILE 119 8.002 -4.092 3.732 924 3HD1 ILE 119 3HD1 ILE 119 9.186 -5.071 4.597 925 H SER 120 H SER 120 7.078 -5.978 9.224 926 HA SER 120 HA SER 120 8.444 -8.251 10.245 927 1HB SER 120 2HB SER 120 8.701 -5.686 10.803 928 2HB SER 120 1HB SER 120 7.495 -6.050 12.036 929 HG SER 120 HG SER 120 10.146 -6.810 11.867 930 H HIS 121 H HIS 121 5.478 -6.595 11.335 931 HA HIS 121 HA HIS 121 4.718 -8.542 13.197 932 1HB HIS 121 2HB HIS 121 3.272 -6.352 11.758 933 2HB HIS 121 1HB HIS 121 2.355 -7.507 12.720 934 HD1 HIS 121 1HD HIS 121 5.355 -5.205 13.203 935 HD2 HIS 121 2HD HIS 121 2.127 -6.764 15.309 936 HE1 HIS 121 1HE HIS 121 5.454 -4.132 15.474 937 HE2 HIS 121 2HE HIS 121 3.485 -5.078 16.728 938 H TYR 122 H TYR 122 4.366 -8.399 9.764 939 HA TYR 122 HA TYR 122 2.308 -10.354 9.546 940 1HB TYR 122 2HB TYR 122 2.881 -8.619 7.801 941 2HB TYR 122 1HB TYR 122 4.305 -9.581 7.416 942 HD1 TYR 122 1HD TYR 122 0.610 -10.005 7.798 943 HD2 TYR 122 2HD TYR 122 4.136 -11.093 5.683 944 HE1 TYR 122 1HE TYR 122 -0.741 -11.364 6.257 945 HE2 TYR 122 2HE TYR 122 2.795 -12.455 4.134 946 HH TYR 122 HH TYR 122 0.682 -12.911 3.429 947 H GLN 123 H GLN 123 5.789 -10.462 8.778 948 HA GLN 123 HA GLN 123 7.282 -12.181 8.700 949 1HB GLN 123 2HB GLN 123 6.369 -12.219 11.154 950 2HB GLN 123 1HB GLN 123 5.599 -13.717 10.646 951 1HG GLN 123 2HG GLN 123 7.636 -14.789 10.296 952 2HG GLN 123 1HG GLN 123 8.531 -13.270 10.238 953 1HE2 GLN 123 1HE2 GLN 123 8.613 -12.028 12.265 954 2HE2 GLN 123 2HE2 GLN 123 8.708 -12.897 13.756 955 H GLU 124 H GLU 124 7.513 -14.608 8.322 956 HA GLU 124 HA GLU 124 5.216 -15.902 7.128 957 1HB GLU 124 2HB GLU 124 6.160 -14.387 5.348 958 2HB GLU 124 1HB GLU 124 7.636 -15.345 5.409 959 1HG GLU 124 2HG GLU 124 6.766 -16.950 4.146 960 2HG GLU 124 1HG GLU 124 5.271 -16.990 5.081 Start of MODEL 10 1 1H MET 1 1HT MET 1 9.953 -15.582 6.173 2 2H MET 1 2HT MET 1 11.386 -16.245 5.499 3 3H MET 1 3HT MET 1 10.354 -17.223 6.462 4 HA MET 1 HA MET 1 10.163 -17.658 4.100 5 1HB MET 1 2HB MET 1 7.684 -17.541 4.102 6 2HB MET 1 1HB MET 1 8.337 -18.162 5.611 7 1HG MET 1 2HG MET 1 7.774 -15.255 5.421 8 2HG MET 1 1HG MET 1 6.412 -16.364 5.553 9 1HE MET 1 1HE MET 1 5.477 -17.107 7.377 10 2HE MET 1 2HE MET 1 5.587 -15.590 8.270 11 3HE MET 1 3HE MET 1 6.048 -17.104 9.046 12 H GLN 2 H GLN 2 10.040 -16.894 2.069 13 HA GLN 2 HA GLN 2 9.960 -15.440 0.321 14 1HB GLN 2 2HB GLN 2 7.835 -14.575 2.112 15 2HB GLN 2 1HB GLN 2 8.485 -13.243 1.168 16 1HG GLN 2 2HG GLN 2 6.663 -14.132 -0.042 17 2HG GLN 2 1HG GLN 2 8.132 -14.631 -0.880 18 1HE2 GLN 2 1HE2 GLN 2 5.282 -15.716 -0.525 19 2HE2 GLN 2 2HE2 GLN 2 5.534 -17.390 -0.181 20 H ARG 3 H ARG 3 11.114 -13.706 -0.462 21 HA ARG 3 HA ARG 3 13.137 -12.660 1.233 22 1HB ARG 3 2HB ARG 3 13.903 -11.452 -0.747 23 2HB ARG 3 1HB ARG 3 13.544 -13.128 -1.138 24 1HG ARG 3 2HG ARG 3 11.317 -12.365 -1.985 25 2HG ARG 3 1HG ARG 3 11.876 -10.706 -1.768 26 1HD ARG 3 2HD ARG 3 13.428 -10.865 -3.464 27 2HD ARG 3 1HD ARG 3 13.550 -12.618 -3.329 28 HE ARG 3 HE ARG 3 10.983 -12.123 -4.174 29 1HH1 ARG 3 1HH1 ARG 3 14.190 -11.434 -5.366 30 2HH1 ARG 3 2HH1 ARG 3 13.713 -11.464 -7.029 31 1HH2 ARG 3 1HH2 ARG 3 10.355 -12.164 -6.361 32 2HH2 ARG 3 2HH2 ARG 3 11.536 -11.879 -7.595 33 H GLY 4 H GLY 4 9.956 -11.687 0.604 34 1HA GLY 4 2HA GLY 4 8.851 -9.936 1.698 35 2HA GLY 4 1HA GLY 4 10.409 -9.203 2.052 36 H ILE 5 H ILE 5 7.889 -9.583 -0.338 37 HA ILE 5 HA ILE 5 9.197 -7.613 -2.066 38 HB ILE 5 HB ILE 5 6.661 -9.142 -2.630 39 1HG1 ILE 5 2HG1 ILE 5 8.523 -10.291 -4.230 40 2HG1 ILE 5 1HG1 ILE 5 9.508 -9.925 -2.817 41 1HG2 ILE 5 1HG2 ILE 5 6.533 -7.780 -4.380 42 2HG2 ILE 5 2HG2 ILE 5 8.024 -8.500 -4.988 43 3HG2 ILE 5 3HG2 ILE 5 8.090 -7.048 -3.990 44 1HD1 ILE 5 1HD1 ILE 5 7.498 -11.976 -3.206 45 2HD1 ILE 5 2HD1 ILE 5 7.244 -11.043 -1.731 46 3HD1 ILE 5 3HD1 ILE 5 8.784 -11.859 -2.006 47 H VAL 6 H VAL 6 8.751 -5.550 -1.658 48 HA VAL 6 HA VAL 6 6.083 -4.876 -0.630 49 HB VAL 6 HB VAL 6 7.843 -4.097 0.838 50 1HG1 VAL 6 1HG1 VAL 6 9.074 -2.081 -0.774 51 2HG1 VAL 6 2HG1 VAL 6 9.262 -3.653 -1.543 52 3HG1 VAL 6 3HG1 VAL 6 9.819 -3.412 0.109 53 1HG2 VAL 6 1HG2 VAL 6 6.776 -2.182 1.250 54 2HG2 VAL 6 2HG2 VAL 6 5.826 -2.532 -0.195 55 3HG2 VAL 6 3HG2 VAL 6 7.244 -1.487 -0.304 56 H TRP 7 H TRP 7 4.681 -3.931 -1.935 57 HA TRP 7 HA TRP 7 5.706 -2.572 -4.340 58 1HB TRP 7 2HB TRP 7 3.277 -4.281 -3.897 59 2HB TRP 7 1HB TRP 7 3.310 -3.104 -5.206 60 HD1 TRP 7 HD1 TRP 7 6.682 -4.544 -4.674 61 HE1 TRP 7 1HE TRP 7 7.210 -6.291 -6.480 62 HE3 TRP 7 3HE TRP 7 1.989 -5.120 -6.625 63 HZ2 TRP 7 2HZ TRP 7 5.812 -7.747 -8.459 64 HZ3 TRP 7 3HZ TRP 7 1.672 -6.716 -8.470 65 HH2 TRP 7 HH2 TRP 7 3.544 -8.001 -9.367 66 H VAL 8 H VAL 8 5.266 -0.474 -4.560 67 HA VAL 8 HA VAL 8 3.282 0.714 -2.734 68 HB VAL 8 HB VAL 8 5.263 2.506 -4.001 69 1HG1 VAL 8 1HG1 VAL 8 5.137 3.661 -1.959 70 2HG1 VAL 8 2HG1 VAL 8 4.501 2.254 -1.110 71 3HG1 VAL 8 3HG1 VAL 8 3.497 3.101 -2.287 72 1HG2 VAL 8 1HG2 VAL 8 7.125 1.486 -3.359 73 2HG2 VAL 8 2HG2 VAL 8 6.192 0.133 -2.720 74 3HG2 VAL 8 3HG2 VAL 8 6.560 1.511 -1.688 75 H VAL 9 H VAL 9 1.782 2.183 -3.508 76 HA VAL 9 HA VAL 9 1.771 2.567 -6.425 77 HB VAL 9 HB VAL 9 -0.910 2.753 -5.528 78 1HG1 VAL 9 1HG1 VAL 9 0.603 0.763 -7.199 79 2HG1 VAL 9 2HG1 VAL 9 -0.324 2.153 -7.760 80 3HG1 VAL 9 3HG1 VAL 9 -1.151 0.759 -7.063 81 1HG2 VAL 9 1HG2 VAL 9 0.461 0.231 -4.589 82 2HG2 VAL 9 2HG2 VAL 9 -1.285 0.444 -4.712 83 3HG2 VAL 9 3HG2 VAL 9 -0.356 1.424 -3.581 84 H ASP 10 H ASP 10 2.199 4.590 -6.842 85 HA ASP 10 HA ASP 10 0.619 6.718 -5.734 86 1HB ASP 10 2HB ASP 10 2.738 6.066 -4.201 87 2HB ASP 10 1HB ASP 10 3.512 7.190 -5.313 88 H ASP 11 H ASP 11 2.452 8.813 -6.359 89 HA ASP 11 HA ASP 11 1.969 9.068 -9.124 90 1HB ASP 11 2HB ASP 11 3.238 10.693 -7.019 91 2HB ASP 11 1HB ASP 11 3.809 11.010 -8.654 92 H ASP 12 H ASP 12 4.273 7.186 -7.680 93 HA ASP 12 HA ASP 12 6.087 6.076 -8.489 94 1HB ASP 12 2HB ASP 12 4.550 6.472 -10.695 95 2HB ASP 12 1HB ASP 12 6.024 7.308 -11.175 96 H SER 13 H SER 13 7.969 7.004 -10.486 97 HA SER 13 HA SER 13 10.030 7.983 -10.276 98 1HB SER 13 2HB SER 13 8.407 9.365 -11.685 99 2HB SER 13 1HB SER 13 8.427 10.512 -10.351 100 HG SER 13 HG SER 13 10.608 10.811 -10.652 101 H SER 14 H SER 14 8.524 10.710 -8.686 102 HA SER 14 HA SER 14 10.520 11.049 -6.793 103 1HB SER 14 2HB SER 14 9.021 12.864 -7.242 104 2HB SER 14 1HB SER 14 7.622 11.909 -6.755 105 HG SER 14 HG SER 14 9.701 12.912 -5.114 106 H ILE 15 H ILE 15 7.246 9.752 -6.142 107 HA ILE 15 HA ILE 15 7.844 8.880 -3.541 108 HB ILE 15 HB ILE 15 5.781 7.642 -5.358 109 1HG1 ILE 15 2HG1 ILE 15 5.505 10.074 -5.383 110 2HG1 ILE 15 1HG1 ILE 15 4.206 9.317 -4.469 111 1HG2 ILE 15 1HG2 ILE 15 6.372 7.551 -2.466 112 2HG2 ILE 15 2HG2 ILE 15 5.664 6.330 -3.522 113 3HG2 ILE 15 3HG2 ILE 15 4.671 7.659 -2.922 114 1HD1 ILE 15 1HD1 ILE 15 4.985 10.117 -2.452 115 2HD1 ILE 15 2HD1 ILE 15 5.341 11.447 -3.554 116 3HD1 ILE 15 3HD1 ILE 15 6.626 10.346 -3.058 117 H ARG 16 H ARG 16 8.537 7.544 -6.626 118 HA ARG 16 HA ARG 16 8.879 4.841 -5.773 119 1HB ARG 16 2HB ARG 16 8.343 5.421 -8.101 120 2HB ARG 16 1HB ARG 16 9.898 6.224 -8.255 121 1HG ARG 16 2HG ARG 16 10.859 3.911 -7.561 122 2HG ARG 16 1HG ARG 16 9.283 3.309 -8.072 123 1HD ARG 16 2HD ARG 16 9.592 4.186 -10.279 124 2HD ARG 16 1HD ARG 16 11.066 5.024 -9.793 125 HE ARG 16 HE ARG 16 11.461 2.326 -9.282 126 1HH1 ARG 16 1HH1 ARG 16 10.897 4.374 -12.050 127 2HH1 ARG 16 2HH1 ARG 16 11.765 3.350 -13.142 128 1HH2 ARG 16 1HH2 ARG 16 12.610 0.978 -10.718 129 2HH2 ARG 16 2HH2 ARG 16 12.739 1.422 -12.386 130 H TRP 17 H TRP 17 11.206 7.377 -6.728 131 HA TRP 17 HA TRP 17 13.509 5.931 -6.120 132 1HB TRP 17 2HB TRP 17 13.508 8.028 -7.417 133 2HB TRP 17 1HB TRP 17 13.131 8.923 -5.946 134 HD1 TRP 17 HD1 TRP 17 16.006 7.230 -7.763 135 HE1 TRP 17 1HE TRP 17 18.207 7.788 -6.552 136 HE3 TRP 17 3HE TRP 17 14.086 9.480 -3.599 137 HZ2 TRP 17 2HZ TRP 17 19.022 9.022 -4.147 138 HZ3 TRP 17 3HZ TRP 17 15.644 10.321 -1.887 139 HH2 TRP 17 HH2 TRP 17 18.061 10.096 -2.158 140 H VAL 18 H VAL 18 11.494 7.960 -4.055 141 HA VAL 18 HA VAL 18 13.245 7.950 -1.847 142 HB VAL 18 HB VAL 18 10.279 8.287 -1.593 143 1HG1 VAL 18 1HG1 VAL 18 12.471 9.776 -0.181 144 2HG1 VAL 18 2HG1 VAL 18 11.868 8.222 0.397 145 3HG1 VAL 18 3HG1 VAL 18 10.778 9.604 0.283 146 1HG2 VAL 18 1HG2 VAL 18 11.905 9.758 -3.357 147 2HG2 VAL 18 2HG2 VAL 18 11.625 10.793 -1.957 148 3HG2 VAL 18 3HG2 VAL 18 10.258 10.123 -2.845 149 H LEU 19 H LEU 19 10.428 5.970 -2.599 150 HA LEU 19 HA LEU 19 10.725 4.468 -0.173 151 1HB LEU 19 2HB LEU 19 8.611 4.968 -1.899 152 2HB LEU 19 1HB LEU 19 8.949 3.261 -2.116 153 HG LEU 19 HG LEU 19 7.228 3.626 -0.419 154 1HD1 LEU 19 1HD1 LEU 19 7.953 1.831 0.676 155 2HD1 LEU 19 2HD1 LEU 19 9.287 2.729 1.403 156 3HD1 LEU 19 3HD1 LEU 19 9.477 2.007 -0.194 157 1HD2 LEU 19 1HD2 LEU 19 9.308 4.911 1.318 158 2HD2 LEU 19 2HD2 LEU 19 7.560 4.853 1.542 159 3HD2 LEU 19 3HD2 LEU 19 8.254 5.868 0.277 160 H GLU 20 H GLU 20 11.703 4.103 -3.470 161 HA GLU 20 HA GLU 20 12.064 1.305 -3.409 162 1HB GLU 20 2HB GLU 20 13.177 1.495 -5.476 163 2HB GLU 20 1HB GLU 20 11.935 2.729 -5.482 164 1HG GLU 20 2HG GLU 20 13.647 4.406 -4.932 165 2HG GLU 20 1HG GLU 20 14.872 3.142 -5.010 166 H ARG 21 H ARG 21 14.532 3.861 -3.281 167 HA ARG 21 HA ARG 21 16.666 2.168 -2.666 168 1HB ARG 21 2HB ARG 21 16.279 5.112 -2.136 169 2HB ARG 21 1HB ARG 21 17.794 4.267 -1.842 170 1HG ARG 21 2HG ARG 21 16.703 3.836 -4.519 171 2HG ARG 21 1HG ARG 21 17.104 5.516 -4.165 172 1HD ARG 21 2HD ARG 21 19.346 5.060 -3.875 173 2HD ARG 21 1HD ARG 21 19.060 3.368 -3.481 174 HE ARG 21 HE ARG 21 19.046 4.543 -6.177 175 1HH1 ARG 21 1HH1 ARG 21 19.105 1.718 -4.112 176 2HH1 ARG 21 2HH1 ARG 21 19.477 0.635 -5.407 177 1HH2 ARG 21 1HH2 ARG 21 19.529 3.110 -7.868 178 2HH2 ARG 21 2HH2 ARG 21 19.717 1.420 -7.536 179 H ALA 22 H ALA 22 14.768 4.222 -0.443 180 HA ALA 22 HA ALA 22 16.055 3.527 1.897 181 1HB ALA 22 1HB ALA 22 14.607 5.034 2.646 182 2HB ALA 22 2HB ALA 22 13.342 3.806 2.572 183 3HB ALA 22 3HB ALA 22 13.629 4.859 1.189 184 H LEU 23 H LEU 23 13.228 1.971 0.480 185 HA LEU 23 HA LEU 23 13.132 -0.048 2.471 186 1HB LEU 23 2HB LEU 23 11.291 0.777 0.783 187 2HB LEU 23 1HB LEU 23 11.962 -0.476 -0.240 188 HG LEU 23 HG LEU 23 11.085 -2.167 1.004 189 1HD1 LEU 23 1HD1 LEU 23 12.333 -1.723 3.033 190 2HD1 LEU 23 2HD1 LEU 23 10.653 -2.082 3.424 191 3HD1 LEU 23 3HD1 LEU 23 11.228 -0.412 3.455 192 1HD2 LEU 23 1HD2 LEU 23 9.181 -0.206 2.169 193 2HD2 LEU 23 2HD2 LEU 23 8.874 -1.745 1.366 194 3HD2 LEU 23 3HD2 LEU 23 9.314 -0.326 0.414 195 H ALA 24 H ALA 24 14.835 0.335 -0.510 196 HA ALA 24 HA ALA 24 15.515 -2.391 -0.906 197 1HB ALA 24 1HB ALA 24 15.816 -0.212 -2.453 198 2HB ALA 24 2HB ALA 24 16.753 -1.685 -2.677 199 3HB ALA 24 3HB ALA 24 17.443 -0.325 -1.791 200 H GLY 25 H GLY 25 16.830 0.274 0.957 201 1HA GLY 25 2HA GLY 25 19.300 -0.912 1.652 202 2HA GLY 25 1HA GLY 25 18.466 0.340 2.569 203 H ALA 26 H ALA 26 16.051 -1.384 2.759 204 HA ALA 26 HA ALA 26 16.748 -2.706 5.193 205 1HB ALA 26 1HB ALA 26 14.218 -3.444 4.878 206 2HB ALA 26 2HB ALA 26 14.243 -2.107 3.726 207 3HB ALA 26 3HB ALA 26 14.663 -1.824 5.415 208 H GLY 27 H GLY 27 16.670 -3.613 1.912 209 1HA GLY 27 2HA GLY 27 17.577 -5.668 1.172 210 2HA GLY 27 1HA GLY 27 17.115 -6.394 2.697 211 H LEU 28 H LEU 28 14.781 -4.499 0.856 212 HA LEU 28 HA LEU 28 13.544 -7.027 0.051 213 1HB LEU 28 2HB LEU 28 11.692 -4.802 0.540 214 2HB LEU 28 1HB LEU 28 11.521 -6.506 0.893 215 HG LEU 28 HG LEU 28 13.317 -5.883 2.768 216 1HD1 LEU 28 1HD1 LEU 28 12.199 -3.354 1.861 217 2HD1 LEU 28 2HD1 LEU 28 13.707 -3.706 2.700 218 3HD1 LEU 28 3HD1 LEU 28 12.196 -3.611 3.605 219 1HD2 LEU 28 1HD2 LEU 28 10.556 -5.096 3.446 220 2HD2 LEU 28 2HD2 LEU 28 11.634 -6.248 4.237 221 3HD2 LEU 28 3HD2 LEU 28 10.780 -6.706 2.761 222 H THR 29 H THR 29 11.761 -6.658 -1.612 223 HA THR 29 HA THR 29 12.911 -5.042 -3.761 224 HB THR 29 HB THR 29 10.800 -7.207 -3.745 225 HG1 THR 29 1HG THR 29 12.661 -8.240 -3.711 226 1HG2 THR 29 1HG2 THR 29 10.095 -6.571 -5.734 227 2HG2 THR 29 2HG2 THR 29 11.733 -6.757 -6.360 228 3HG2 THR 29 3HG2 THR 29 11.206 -5.201 -5.721 229 H CYS 30 H CYS 30 12.231 -2.992 -3.701 230 HA CYS 30 HA CYS 30 9.408 -2.457 -3.108 231 1HB CYS 30 2HB CYS 30 11.112 -1.363 -1.689 232 2HB CYS 30 1HB CYS 30 11.736 -0.542 -3.113 233 HG CYS 30 HG CYS 30 9.247 0.241 -1.547 234 H THR 31 H THR 31 8.190 -2.312 -4.873 235 HA THR 31 HA THR 31 9.252 -0.795 -7.167 236 HB THR 31 HB THR 31 8.745 -3.332 -7.485 237 HG1 THR 31 1HG THR 31 7.566 -2.668 -9.552 238 1HG2 THR 31 1HG2 THR 31 6.641 -4.098 -7.570 239 2HG2 THR 31 2HG2 THR 31 5.988 -2.562 -8.131 240 3HG2 THR 31 3HG2 THR 31 6.345 -2.794 -6.420 241 H THR 32 H THR 32 7.704 0.575 -8.264 242 HA THR 32 HA THR 32 5.345 1.158 -6.631 243 HB THR 32 HB THR 32 5.678 3.500 -6.863 244 HG1 THR 32 1HG THR 32 6.583 4.075 -8.669 245 1HG2 THR 32 1HG2 THR 32 8.233 3.604 -6.150 246 2HG2 THR 32 2HG2 THR 32 7.958 1.887 -5.915 247 3HG2 THR 32 3HG2 THR 32 6.962 3.066 -5.060 248 H PHE 33 H PHE 33 3.614 2.213 -7.668 249 HA PHE 33 HA PHE 33 3.494 1.769 -10.565 250 1HB PHE 33 2HB PHE 33 1.285 1.220 -8.601 251 2HB PHE 33 1HB PHE 33 1.227 0.970 -10.328 252 HD1 PHE 33 1HD PHE 33 3.495 -0.005 -7.520 253 HD2 PHE 33 2HD PHE 33 1.359 -1.220 -10.987 254 HE1 PHE 33 1HE PHE 33 4.314 -2.296 -7.216 255 HE2 PHE 33 2HE PHE 33 2.165 -3.512 -10.690 256 HZ PHE 33 HZ PHE 33 3.640 -4.066 -8.806 257 H GLU 34 H GLU 34 1.403 2.853 -11.456 258 HA GLU 34 HA GLU 34 1.754 5.605 -11.238 259 1HB GLU 34 2HB GLU 34 -0.297 5.776 -12.615 260 2HB GLU 34 1HB GLU 34 0.867 4.612 -13.235 261 1HG GLU 34 2HG GLU 34 -1.096 3.457 -13.460 262 2HG GLU 34 1HG GLU 34 -0.534 2.897 -11.888 263 H ASN 35 H ASN 35 -0.643 3.561 -9.518 264 HA ASN 35 HA ASN 35 -1.003 5.540 -7.565 265 1HB ASN 35 2HB ASN 35 -2.326 6.249 -9.848 266 2HB ASN 35 1HB ASN 35 -3.596 5.467 -8.910 267 1HD2 ASN 35 1HD2 ASN 35 -1.570 8.204 -9.238 268 2HD2 ASN 35 2HD2 ASN 35 -2.196 9.111 -7.909 269 H GLY 36 H GLY 36 -2.525 2.812 -9.166 270 1HA GLY 36 2HA GLY 36 -2.744 1.268 -6.853 271 2HA GLY 36 1HA GLY 36 -4.250 2.147 -7.014 272 H ASN 37 H ASN 37 -4.658 2.139 -9.710 273 HA ASN 37 HA ASN 37 -5.794 -0.367 -10.142 274 1HB ASN 37 2HB ASN 37 -5.988 2.079 -11.338 275 2HB ASN 37 1HB ASN 37 -5.161 1.142 -12.579 276 1HD2 ASN 37 1HD2 ASN 37 -7.731 0.481 -10.221 277 2HD2 ASN 37 2HD2 ASN 37 -8.848 -0.172 -11.365 278 H GLU 38 H GLU 38 -2.650 0.880 -10.907 279 HA GLU 38 HA GLU 38 -1.885 -0.983 -12.860 280 1HB GLU 38 2HB GLU 38 -0.770 1.220 -11.979 281 2HB GLU 38 1HB GLU 38 0.090 0.116 -10.928 282 1HG GLU 38 2HG GLU 38 1.548 -0.193 -12.563 283 2HG GLU 38 1HG GLU 38 0.279 -1.011 -13.469 284 H VAL 39 H VAL 39 -1.201 -1.014 -9.309 285 HA VAL 39 HA VAL 39 0.191 -3.404 -9.219 286 HB VAL 39 HB VAL 39 -1.856 -2.638 -7.136 287 1HG1 VAL 39 1HG1 VAL 39 -1.021 -4.305 -5.924 288 2HG1 VAL 39 2HG1 VAL 39 0.627 -3.731 -6.173 289 3HG1 VAL 39 3HG1 VAL 39 -0.114 -4.815 -7.346 290 1HG2 VAL 39 1HG2 VAL 39 -0.604 -0.939 -6.422 291 2HG2 VAL 39 2HG2 VAL 39 0.176 -1.003 -8.003 292 3HG2 VAL 39 3HG2 VAL 39 0.897 -1.837 -6.627 293 H LEU 40 H LEU 40 -3.277 -2.893 -9.423 294 HA LEU 40 HA LEU 40 -4.184 -5.475 -8.926 295 1HB LEU 40 2HB LEU 40 -5.401 -3.742 -11.052 296 2HB LEU 40 1HB LEU 40 -6.201 -4.852 -9.958 297 HG LEU 40 HG LEU 40 -4.978 -2.201 -9.184 298 1HD1 LEU 40 1HD1 LEU 40 -6.929 -1.729 -10.389 299 2HD1 LEU 40 2HD1 LEU 40 -7.421 -1.695 -8.696 300 3HD1 LEU 40 3HD1 LEU 40 -7.789 -3.100 -9.696 301 1HD2 LEU 40 1HD2 LEU 40 -5.816 -4.510 -7.627 302 2HD2 LEU 40 2HD2 LEU 40 -6.672 -3.035 -7.172 303 3HD2 LEU 40 3HD2 LEU 40 -4.909 -3.079 -7.133 304 H ALA 41 H ALA 41 -3.201 -3.984 -11.999 305 HA ALA 41 HA ALA 41 -3.645 -6.256 -13.597 306 1HB ALA 41 1HB ALA 41 -3.283 -3.827 -14.324 307 2HB ALA 41 2HB ALA 41 -2.598 -5.103 -15.332 308 3HB ALA 41 3HB ALA 41 -1.562 -4.203 -14.225 309 H ALA 42 H ALA 42 -0.688 -5.002 -12.143 310 HA ALA 42 HA ALA 42 1.015 -7.053 -13.036 311 1HB ALA 42 1HB ALA 42 2.622 -6.245 -11.466 312 2HB ALA 42 2HB ALA 42 1.371 -5.466 -10.495 313 3HB ALA 42 3HB ALA 42 1.755 -4.848 -12.101 314 H LEU 43 H LEU 43 -1.074 -6.766 -10.240 315 HA LEU 43 HA LEU 43 -0.102 -8.890 -8.723 316 1HB LEU 43 2HB LEU 43 -2.769 -7.559 -8.941 317 2HB LEU 43 1HB LEU 43 -2.588 -8.994 -7.947 318 HG LEU 43 HG LEU 43 -0.845 -6.577 -7.576 319 1HD1 LEU 43 1HD1 LEU 43 -3.615 -6.665 -7.146 320 2HD1 LEU 43 2HD1 LEU 43 -2.472 -5.464 -6.549 321 3HD1 LEU 43 3HD1 LEU 43 -2.872 -6.866 -5.559 322 1HD2 LEU 43 1HD2 LEU 43 -1.439 -9.085 -6.067 323 2HD2 LEU 43 2HD2 LEU 43 -0.832 -7.651 -5.239 324 3HD2 LEU 43 3HD2 LEU 43 0.122 -8.399 -6.519 325 H ALA 44 H ALA 44 -1.932 -8.884 -11.623 326 HA ALA 44 HA ALA 44 -3.239 -11.340 -11.465 327 1HB ALA 44 1HB ALA 44 -2.139 -10.529 -14.090 328 2HB ALA 44 2HB ALA 44 -3.217 -9.395 -13.278 329 3HB ALA 44 3HB ALA 44 -3.772 -11.026 -13.647 330 H SER 45 H SER 45 0.113 -10.691 -11.718 331 HA SER 45 HA SER 45 0.597 -13.513 -12.280 332 1HB SER 45 2HB SER 45 1.256 -12.419 -14.272 333 2HB SER 45 1HB SER 45 2.051 -11.120 -13.381 334 HG SER 45 HG SER 45 3.554 -12.630 -14.212 335 H LYS 46 H LYS 46 0.786 -11.289 -9.908 336 HA LYS 46 HA LYS 46 2.631 -12.833 -8.398 337 1HB LYS 46 2HB LYS 46 3.925 -11.077 -9.989 338 2HB LYS 46 1HB LYS 46 3.633 -10.059 -8.586 339 1HG LYS 46 2HG LYS 46 4.584 -12.504 -7.593 340 2HG LYS 46 1HG LYS 46 5.606 -12.094 -8.971 341 1HD LYS 46 2HD LYS 46 5.560 -9.708 -7.819 342 2HD LYS 46 1HD LYS 46 5.234 -10.677 -6.382 343 1HE LYS 46 2HE LYS 46 7.487 -10.758 -6.269 344 2HE LYS 46 1HE LYS 46 7.278 -12.075 -7.424 345 1HZ LYS 46 1HZ LYS 46 7.515 -9.350 -8.468 346 2HZ LYS 46 2HZ LYS 46 8.034 -10.811 -9.142 347 3HZ LYS 46 3HZ LYS 46 8.917 -10.100 -7.887 348 H THR 47 H THR 47 2.912 -11.986 -6.189 349 HA THR 47 HA THR 47 0.965 -9.965 -5.436 350 HB THR 47 HB THR 47 1.124 -12.733 -4.240 351 HG1 THR 47 1HG THR 47 -1.037 -11.395 -5.492 352 1HG2 THR 47 1HG2 THR 47 0.697 -10.856 -2.570 353 2HG2 THR 47 2HG2 THR 47 -0.475 -12.171 -2.640 354 3HG2 THR 47 3HG2 THR 47 -0.836 -10.626 -3.409 355 HA PRO 48 HA PRO 48 4.691 -8.943 -3.099 356 1HB PRO 48 2HB PRO 48 3.862 -6.476 -2.306 357 2HB PRO 48 1HB PRO 48 4.546 -6.798 -3.903 358 1HG PRO 48 2HG PRO 48 1.699 -6.459 -3.094 359 2HG PRO 48 1HG PRO 48 2.519 -5.916 -4.561 360 1HD PRO 48 2HD PRO 48 0.916 -8.127 -4.444 361 2HD PRO 48 1HD PRO 48 2.229 -7.925 -5.612 362 H ASP 49 H ASP 49 5.152 -8.588 -0.845 363 HA ASP 49 HA ASP 49 3.280 -9.892 0.871 364 1HB ASP 49 2HB ASP 49 6.000 -8.685 1.265 365 2HB ASP 49 1HB ASP 49 5.049 -9.216 2.647 366 H VAL 50 H VAL 50 3.987 -6.587 0.126 367 HA VAL 50 HA VAL 50 1.883 -5.734 1.967 368 HB VAL 50 HB VAL 50 3.910 -5.431 3.278 369 1HG1 VAL 50 1HG1 VAL 50 5.857 -4.640 2.499 370 2HG1 VAL 50 2HG1 VAL 50 5.081 -3.385 1.535 371 3HG1 VAL 50 3HG1 VAL 50 5.175 -5.037 0.924 372 1HG2 VAL 50 1HG2 VAL 50 3.660 -3.152 3.886 373 2HG2 VAL 50 2HG2 VAL 50 2.076 -3.700 3.335 374 3HG2 VAL 50 3HG2 VAL 50 3.085 -2.714 2.277 375 H LEU 51 H LEU 51 1.275 -3.382 1.534 376 HA LEU 51 HA LEU 51 2.043 -2.364 -1.062 377 1HB LEU 51 2HB LEU 51 0.058 -4.088 -1.201 378 2HB LEU 51 1HB LEU 51 -0.887 -2.714 -0.658 379 HG LEU 51 HG LEU 51 -0.040 -1.421 -2.612 380 1HD1 LEU 51 1HD1 LEU 51 1.588 -2.172 -3.919 381 2HD1 LEU 51 2HD1 LEU 51 0.747 -3.698 -4.189 382 3HD1 LEU 51 3HD1 LEU 51 1.803 -3.509 -2.790 383 1HD2 LEU 51 1HD2 LEU 51 -1.215 -3.291 -4.249 384 2HD2 LEU 51 2HD2 LEU 51 -2.060 -2.071 -3.297 385 3HD2 LEU 51 3HD2 LEU 51 -1.851 -3.700 -2.656 386 H LEU 52 H LEU 52 1.856 -0.202 -1.221 387 HA LEU 52 HA LEU 52 0.504 1.228 0.978 388 1HB LEU 52 2HB LEU 52 3.171 1.158 0.595 389 2HB LEU 52 1HB LEU 52 2.760 2.509 -0.441 390 HG LEU 52 HG LEU 52 2.142 2.328 2.504 391 1HD1 LEU 52 1HD1 LEU 52 3.948 4.407 1.511 392 2HD1 LEU 52 2HD1 LEU 52 4.578 2.767 1.358 393 3HD1 LEU 52 3HD1 LEU 52 4.076 3.374 2.936 394 1HD2 LEU 52 1HD2 LEU 52 1.240 4.469 2.375 395 2HD2 LEU 52 2HD2 LEU 52 0.593 3.670 0.944 396 3HD2 LEU 52 3HD2 LEU 52 1.955 4.781 0.793 397 H SER 53 H SER 53 -1.171 2.413 0.268 398 HA SER 53 HA SER 53 -1.072 3.441 -2.494 399 1HB SER 53 2HB SER 53 -3.124 1.984 -1.048 400 2HB SER 53 1HB SER 53 -3.744 3.511 -1.673 401 HG SER 53 HG SER 53 -2.248 2.314 -3.553 402 H ASP 54 H ASP 54 -1.458 5.564 -2.886 403 HA ASP 54 HA ASP 54 -1.346 7.355 -0.623 404 1HB ASP 54 2HB ASP 54 -0.989 9.107 -2.227 405 2HB ASP 54 1HB ASP 54 -0.024 7.718 -2.711 406 H ILE 55 H ILE 55 -3.868 5.859 -2.158 407 HA ILE 55 HA ILE 55 -6.094 6.226 -2.378 408 HB ILE 55 HB ILE 55 -5.793 6.240 0.091 409 1HG1 ILE 55 2HG1 ILE 55 -8.048 8.075 -0.524 410 2HG1 ILE 55 1HG1 ILE 55 -8.000 6.497 -1.286 411 1HG2 ILE 55 1HG2 ILE 55 -5.715 9.198 -0.325 412 2HG2 ILE 55 2HG2 ILE 55 -4.625 8.181 0.618 413 3HG2 ILE 55 3HG2 ILE 55 -6.263 8.491 1.194 414 1HD1 ILE 55 1HD1 ILE 55 -8.563 7.228 1.493 415 2HD1 ILE 55 2HD1 ILE 55 -7.577 5.784 1.257 416 3HD1 ILE 55 3HD1 ILE 55 -9.170 5.894 0.516 417 H ARG 56 H ARG 56 -7.882 7.938 -2.557 418 HA ARG 56 HA ARG 56 -8.741 9.781 -3.554 419 1HB ARG 56 2HB ARG 56 -7.044 10.867 -1.864 420 2HB ARG 56 1HB ARG 56 -6.141 11.246 -3.325 421 1HG ARG 56 2HG ARG 56 -8.399 12.214 -4.159 422 2HG ARG 56 1HG ARG 56 -8.815 12.234 -2.444 423 1HD ARG 56 2HD ARG 56 -7.234 13.818 -1.938 424 2HD ARG 56 1HD ARG 56 -6.203 13.382 -3.303 425 HE ARG 56 HE ARG 56 -7.357 14.871 -4.607 426 1HH1 ARG 56 1HH1 ARG 56 -9.156 14.301 -1.671 427 2HH1 ARG 56 2HH1 ARG 56 -10.323 15.537 -1.997 428 1HH2 ARG 56 1HH2 ARG 56 -8.893 16.495 -5.040 429 2HH2 ARG 56 2HH2 ARG 56 -10.175 16.782 -3.910 430 H MET 57 H MET 57 -8.704 8.420 -5.465 431 HA MET 57 HA MET 57 -7.429 9.746 -7.647 432 1HB MET 57 2HB MET 57 -5.585 8.311 -6.772 433 2HB MET 57 1HB MET 57 -6.557 6.900 -7.137 434 1HG MET 57 2HG MET 57 -5.154 7.055 -8.959 435 2HG MET 57 1HG MET 57 -6.631 7.826 -9.532 436 1HE MET 57 1HE MET 57 -6.860 10.693 -9.432 437 2HE MET 57 2HE MET 57 -6.572 9.707 -10.865 438 3HE MET 57 3HE MET 57 -5.640 11.182 -10.608 439 HA PRO 58 HA PRO 58 -10.179 6.211 -9.486 440 1HB PRO 58 2HB PRO 58 -11.245 4.374 -7.848 441 2HB PRO 58 1HB PRO 58 -9.594 4.216 -8.463 442 1HG PRO 58 2HG PRO 58 -10.511 5.356 -5.832 443 2HG PRO 58 1HG PRO 58 -9.297 4.096 -6.119 444 1HD PRO 58 2HD PRO 58 -8.543 6.622 -5.735 445 2HD PRO 58 1HD PRO 58 -7.738 5.617 -6.954 446 H GLY 59 H GLY 59 -12.598 5.199 -8.862 447 1HA GLY 59 2HA GLY 59 -14.271 7.458 -8.696 448 2HA GLY 59 1HA GLY 59 -14.799 5.785 -8.592 449 H MET 60 H MET 60 -14.170 4.732 -6.387 450 HA MET 60 HA MET 60 -15.492 6.228 -4.349 451 1HB MET 60 2HB MET 60 -15.369 3.652 -4.673 452 2HB MET 60 1HB MET 60 -13.839 3.772 -3.815 453 1HG MET 60 2HG MET 60 -14.822 4.237 -1.831 454 2HG MET 60 1HG MET 60 -16.180 5.080 -2.574 455 1HE MET 60 1HE MET 60 -17.023 3.153 -0.135 456 2HE MET 60 2HE MET 60 -18.449 2.559 -0.987 457 3HE MET 60 3HE MET 60 -17.934 4.235 -1.189 458 H ASP 61 H ASP 61 -13.750 7.982 -4.867 459 HA ASP 61 HA ASP 61 -12.065 9.304 -4.138 460 1HB ASP 61 2HB ASP 61 -13.081 7.920 -1.792 461 2HB ASP 61 1HB ASP 61 -11.380 8.340 -1.615 462 H GLY 62 H GLY 62 -11.071 6.453 -2.323 463 1HA GLY 62 2HA GLY 62 -8.937 5.930 -4.244 464 2HA GLY 62 1HA GLY 62 -8.463 6.337 -2.615 465 H LEU 63 H LEU 63 -10.823 4.933 -1.489 466 HA LEU 63 HA LEU 63 -9.630 2.444 -1.039 467 1HB LEU 63 2HB LEU 63 -12.547 3.136 -0.683 468 2HB LEU 63 1HB LEU 63 -11.679 1.826 0.099 469 HG LEU 63 HG LEU 63 -10.175 3.870 0.927 470 1HD1 LEU 63 1HD1 LEU 63 -11.127 5.753 0.149 471 2HD1 LEU 63 2HD1 LEU 63 -12.075 5.577 1.625 472 3HD1 LEU 63 3HD1 LEU 63 -12.740 5.048 0.079 473 1HD2 LEU 63 1HD2 LEU 63 -12.753 2.928 2.156 474 2HD2 LEU 63 2HD2 LEU 63 -11.542 3.892 3.000 475 3HD2 LEU 63 3HD2 LEU 63 -11.138 2.275 2.425 476 H ALA 64 H ALA 64 -11.513 3.608 -3.659 477 HA ALA 64 HA ALA 64 -12.758 1.279 -4.558 478 1HB ALA 64 1HB ALA 64 -11.475 3.146 -6.495 479 2HB ALA 64 2HB ALA 64 -12.808 3.713 -5.492 480 3HB ALA 64 3HB ALA 64 -13.043 2.347 -6.584 481 H LEU 65 H LEU 65 -9.432 2.393 -4.829 482 HA LEU 65 HA LEU 65 -8.493 0.450 -6.635 483 1HB LEU 65 2HB LEU 65 -7.044 1.868 -4.389 484 2HB LEU 65 1HB LEU 65 -6.256 0.906 -5.627 485 HG LEU 65 HG LEU 65 -7.946 3.281 -6.335 486 1HD1 LEU 65 1HD1 LEU 65 -6.402 4.292 -4.920 487 2HD1 LEU 65 2HD1 LEU 65 -5.685 4.462 -6.522 488 3HD1 LEU 65 3HD1 LEU 65 -5.098 3.217 -5.420 489 1HD2 LEU 65 1HD2 LEU 65 -5.690 2.823 -8.015 490 2HD2 LEU 65 2HD2 LEU 65 -7.404 2.743 -8.413 491 3HD2 LEU 65 3HD2 LEU 65 -6.573 1.309 -7.812 492 H LEU 66 H LEU 66 -8.577 0.550 -3.091 493 HA LEU 66 HA LEU 66 -7.421 -1.887 -2.492 494 1HB LEU 66 2HB LEU 66 -9.564 -0.265 -1.169 495 2HB LEU 66 1HB LEU 66 -9.170 -1.850 -0.539 496 HG LEU 66 HG LEU 66 -6.890 -1.165 -0.100 497 1HD1 LEU 66 1HD1 LEU 66 -6.926 0.473 -2.096 498 2HD1 LEU 66 2HD1 LEU 66 -5.968 0.873 -0.679 499 3HD1 LEU 66 3HD1 LEU 66 -7.540 1.635 -0.922 500 1HD2 LEU 66 1HD2 LEU 66 -8.089 -0.709 1.788 501 2HD2 LEU 66 2HD2 LEU 66 -9.162 0.424 0.968 502 3HD2 LEU 66 3HD2 LEU 66 -7.525 0.916 1.400 503 H LYS 67 H LYS 67 -10.841 -1.176 -3.080 504 HA LYS 67 HA LYS 67 -11.990 -3.616 -2.796 505 1HB LYS 67 2HB LYS 67 -12.554 -1.629 -4.996 506 2HB LYS 67 1HB LYS 67 -13.635 -2.924 -4.497 507 1HG LYS 67 2HG LYS 67 -14.027 -1.918 -2.395 508 2HG LYS 67 1HG LYS 67 -12.706 -0.771 -2.619 509 1HD LYS 67 2HD LYS 67 -14.204 0.670 -3.420 510 2HD LYS 67 1HD LYS 67 -14.378 -0.391 -4.821 511 1HE LYS 67 2HE LYS 67 -15.937 -0.752 -2.273 512 2HE LYS 67 1HE LYS 67 -16.515 0.220 -3.627 513 1HZ LYS 67 1HZ LYS 67 -16.214 -2.681 -3.416 514 2HZ LYS 67 2HZ LYS 67 -15.958 -1.975 -4.931 515 3HZ LYS 67 3HZ LYS 67 -17.442 -1.773 -4.145 516 H GLN 68 H GLN 68 -10.399 -2.418 -5.729 517 HA GLN 68 HA GLN 68 -10.737 -4.798 -7.216 518 1HB GLN 68 2HB GLN 68 -8.606 -2.711 -7.625 519 2HB GLN 68 1HB GLN 68 -9.252 -3.825 -8.821 520 1HG GLN 68 2HG GLN 68 -10.887 -1.694 -7.473 521 2HG GLN 68 1HG GLN 68 -10.055 -1.471 -9.013 522 1HE2 GLN 68 1HE2 GLN 68 -12.899 -2.381 -7.554 523 2HE2 GLN 68 2HE2 GLN 68 -13.648 -3.177 -8.893 524 H ILE 69 H ILE 69 -8.383 -3.770 -4.880 525 HA ILE 69 HA ILE 69 -6.271 -5.483 -5.587 526 HB ILE 69 HB ILE 69 -6.980 -4.383 -2.867 527 1HG1 ILE 69 2HG1 ILE 69 -5.065 -3.372 -4.980 528 2HG1 ILE 69 1HG1 ILE 69 -6.605 -2.643 -4.548 529 1HG2 ILE 69 1HG2 ILE 69 -5.306 -5.566 -2.016 530 2HG2 ILE 69 2HG2 ILE 69 -4.191 -4.768 -3.130 531 3HG2 ILE 69 3HG2 ILE 69 -4.975 -6.274 -3.601 532 1HD1 ILE 69 1HD1 ILE 69 -5.488 -1.374 -3.120 533 2HD1 ILE 69 2HD1 ILE 69 -4.016 -2.322 -3.337 534 3HD1 ILE 69 3HD1 ILE 69 -5.221 -2.823 -2.150 535 H LYS 70 H LYS 70 -8.762 -5.863 -3.111 536 HA LYS 70 HA LYS 70 -8.035 -8.457 -2.339 537 1HB LYS 70 2HB LYS 70 -10.209 -8.580 -1.243 538 2HB LYS 70 1HB LYS 70 -9.404 -7.050 -0.932 539 1HG LYS 70 2HG LYS 70 -11.045 -6.755 -3.232 540 2HG LYS 70 1HG LYS 70 -11.996 -7.490 -1.940 541 1HD LYS 70 2HD LYS 70 -10.714 -5.590 -0.540 542 2HD LYS 70 1HD LYS 70 -10.784 -4.801 -2.113 543 1HE LYS 70 2HE LYS 70 -13.185 -5.039 -2.173 544 2HE LYS 70 1HE LYS 70 -13.167 -5.974 -0.681 545 1HZ LYS 70 1HZ LYS 70 -13.529 -4.019 0.301 546 2HZ LYS 70 2HZ LYS 70 -13.069 -3.126 -1.059 547 3HZ LYS 70 3HZ LYS 70 -11.892 -3.692 0.016 548 H GLN 71 H GLN 71 -9.975 -7.351 -4.981 549 HA GLN 71 HA GLN 71 -11.317 -9.778 -5.485 550 1HB GLN 71 2HB GLN 71 -10.818 -7.274 -6.955 551 2HB GLN 71 1HB GLN 71 -11.131 -8.685 -7.956 552 1HG GLN 71 2HG GLN 71 -13.276 -8.952 -7.152 553 2HG GLN 71 1HG GLN 71 -12.941 -8.054 -5.672 554 1HE2 GLN 71 1HE2 GLN 71 -12.270 -5.708 -6.125 555 2HE2 GLN 71 2HE2 GLN 71 -13.257 -4.857 -7.259 556 H ARG 72 H ARG 72 -8.067 -8.791 -6.035 557 HA ARG 72 HA ARG 72 -7.615 -11.225 -7.635 558 1HB ARG 72 2HB ARG 72 -6.965 -8.537 -8.231 559 2HB ARG 72 1HB ARG 72 -5.450 -9.380 -7.939 560 1HG ARG 72 2HG ARG 72 -5.672 -10.708 -9.766 561 2HG ARG 72 1HG ARG 72 -7.434 -10.717 -9.685 562 1HD ARG 72 2HD ARG 72 -7.091 -8.149 -10.268 563 2HD ARG 72 1HD ARG 72 -5.592 -8.766 -10.962 564 HE ARG 72 HE ARG 72 -8.177 -9.007 -12.069 565 1HH1 ARG 72 1HH1 ARG 72 -5.220 -10.816 -11.650 566 2HH1 ARG 72 2HH1 ARG 72 -5.484 -11.808 -13.043 567 1HH2 ARG 72 1HH2 ARG 72 -8.521 -10.308 -13.907 568 2HH2 ARG 72 2HH2 ARG 72 -7.352 -11.518 -14.327 569 H HIS 73 H HIS 73 -6.888 -9.738 -4.660 570 HA HIS 73 HA HIS 73 -4.454 -11.375 -4.373 571 1HB HIS 73 2HB HIS 73 -3.614 -9.855 -2.841 572 2HB HIS 73 1HB HIS 73 -4.495 -8.799 -3.939 573 HD1 HIS 73 1HD HIS 73 -5.225 -10.624 -0.682 574 HD2 HIS 73 2HD HIS 73 -6.127 -7.106 -2.619 575 HE1 HIS 73 1HE HIS 73 -6.621 -9.313 0.939 576 HE2 HIS 73 2HE HIS 73 -7.143 -7.164 -0.256 577 HA PRO 74 HA PRO 74 -6.451 -13.767 -1.208 578 1HB PRO 74 2HB PRO 74 -4.293 -14.755 0.076 579 2HB PRO 74 1HB PRO 74 -4.722 -15.245 -1.564 580 1HG PRO 74 2HG PRO 74 -2.521 -13.525 -0.634 581 2HG PRO 74 1HG PRO 74 -2.661 -14.462 -2.127 582 1HD PRO 74 2HD PRO 74 -3.102 -11.655 -1.761 583 2HD PRO 74 1HD PRO 74 -3.284 -12.602 -3.249 584 H MET 75 H MET 75 -3.600 -12.154 0.249 585 HA MET 75 HA MET 75 -5.281 -10.766 2.152 586 1HB MET 75 2HB MET 75 -3.355 -12.931 2.950 587 2HB MET 75 1HB MET 75 -3.757 -11.623 4.049 588 1HG MET 75 2HG MET 75 -5.961 -13.175 2.793 589 2HG MET 75 1HG MET 75 -5.051 -13.888 4.122 590 1HE MET 75 1HE MET 75 -8.241 -12.671 3.554 591 2HE MET 75 2HE MET 75 -8.684 -12.261 5.211 592 3HE MET 75 3HE MET 75 -7.917 -13.811 4.859 593 H LEU 76 H LEU 76 -3.903 -9.532 0.211 594 HA LEU 76 HA LEU 76 -1.240 -8.842 0.928 595 1HB LEU 76 2HB LEU 76 -2.795 -8.676 -1.331 596 2HB LEU 76 1HB LEU 76 -2.629 -7.000 -0.846 597 HG LEU 76 HG LEU 76 -0.276 -8.842 -1.188 598 1HD1 LEU 76 1HD1 LEU 76 -0.516 -8.708 -3.379 599 2HD1 LEU 76 2HD1 LEU 76 -0.417 -6.950 -3.275 600 3HD1 LEU 76 3HD1 LEU 76 -1.985 -7.753 -3.190 601 1HD2 LEU 76 1HD2 LEU 76 0.548 -6.291 -1.658 602 2HD2 LEU 76 2HD2 LEU 76 0.686 -7.125 -0.112 603 3HD2 LEU 76 3HD2 LEU 76 -0.673 -6.042 -0.413 604 HA PRO 77 HA PRO 77 -2.374 -5.681 3.907 605 1HB PRO 77 2HB PRO 77 0.450 -4.887 3.692 606 2HB PRO 77 1HB PRO 77 -0.456 -5.431 5.106 607 1HG PRO 77 2HG PRO 77 1.406 -6.972 3.947 608 2HG PRO 77 1HG PRO 77 -0.058 -7.657 4.672 609 1HD PRO 77 2HD PRO 77 0.570 -7.165 1.786 610 2HD PRO 77 1HD PRO 77 -0.245 -8.549 2.540 611 H VAL 78 H VAL 78 -3.004 -3.637 3.653 612 HA VAL 78 HA VAL 78 -1.920 -2.073 1.407 613 HB VAL 78 HB VAL 78 -4.782 -1.793 2.276 614 1HG1 VAL 78 1HG1 VAL 78 -4.252 0.005 0.957 615 2HG1 VAL 78 2HG1 VAL 78 -4.838 -1.131 -0.257 616 3HG1 VAL 78 3HG1 VAL 78 -3.104 -0.907 -0.021 617 1HG2 VAL 78 1HG2 VAL 78 -3.912 -3.541 -0.016 618 2HG2 VAL 78 2HG2 VAL 78 -5.533 -3.343 0.650 619 3HG2 VAL 78 3HG2 VAL 78 -4.291 -4.178 1.584 620 H ILE 79 H ILE 79 -0.995 -0.284 2.092 621 HA ILE 79 HA ILE 79 -1.874 0.880 4.647 622 HB ILE 79 HB ILE 79 0.756 1.402 3.284 623 1HG1 ILE 79 2HG1 ILE 79 1.060 -0.280 5.572 624 2HG1 ILE 79 1HG1 ILE 79 -0.120 -1.028 4.503 625 1HG2 ILE 79 1HG2 ILE 79 1.194 2.743 5.003 626 2HG2 ILE 79 2HG2 ILE 79 0.653 1.537 6.172 627 3HG2 ILE 79 3HG2 ILE 79 -0.519 2.624 5.419 628 1HD1 ILE 79 1HD1 ILE 79 2.204 -0.043 3.077 629 2HD1 ILE 79 2HD1 ILE 79 1.440 -1.632 3.049 630 3HD1 ILE 79 3HD1 ILE 79 2.604 -1.236 4.312 631 H ILE 80 H ILE 80 -3.213 2.515 4.329 632 HA ILE 80 HA ILE 80 -2.852 4.226 1.987 633 HB ILE 80 HB ILE 80 -5.219 4.137 3.862 634 1HG1 ILE 80 2HG1 ILE 80 -4.908 1.972 2.776 635 2HG1 ILE 80 1HG1 ILE 80 -6.279 2.807 2.054 636 1HG2 ILE 80 1HG2 ILE 80 -4.592 6.116 2.185 637 2HG2 ILE 80 2HG2 ILE 80 -6.244 5.611 2.476 638 3HG2 ILE 80 3HG2 ILE 80 -5.385 5.032 1.054 639 1HD1 ILE 80 1HD1 ILE 80 -4.135 3.599 0.512 640 2HD1 ILE 80 2HD1 ILE 80 -5.347 2.391 0.094 641 3HD1 ILE 80 3HD1 ILE 80 -3.829 1.895 0.839 642 H MET 81 H MET 81 -2.791 6.464 2.097 643 HA MET 81 HA MET 81 -1.484 7.501 4.442 644 1HB MET 81 2HB MET 81 -1.069 9.473 3.106 645 2HB MET 81 1HB MET 81 -0.724 8.036 2.157 646 1HG MET 81 2HG MET 81 -2.594 8.308 0.818 647 2HG MET 81 1HG MET 81 -3.382 9.387 1.963 648 1HE MET 81 1HE MET 81 -1.767 11.258 2.898 649 2HE MET 81 2HE MET 81 -2.084 12.592 1.788 650 3HE MET 81 3HE MET 81 -0.443 11.974 1.977 651 H THR 82 H THR 82 -4.646 7.936 2.901 652 HA THR 82 HA THR 82 -5.574 9.275 5.325 653 HB THR 82 HB THR 82 -6.135 10.478 2.611 654 HG1 THR 82 1HG THR 82 -3.983 10.815 2.965 655 1HG2 THR 82 1HG2 THR 82 -7.373 12.019 3.620 656 2HG2 THR 82 2HG2 THR 82 -6.217 12.214 4.938 657 3HG2 THR 82 3HG2 THR 82 -7.412 10.921 4.997 658 H ALA 83 H ALA 83 -7.861 9.193 5.626 659 HA ALA 83 HA ALA 83 -9.203 7.237 3.880 660 1HB ALA 83 1HB ALA 83 -10.033 6.120 5.648 661 2HB ALA 83 2HB ALA 83 -10.214 7.578 6.625 662 3HB ALA 83 3HB ALA 83 -8.633 6.820 6.463 663 H HIS 84 H HIS 84 -9.139 10.391 4.243 664 HA HIS 84 HA HIS 84 -10.667 12.114 4.511 665 1HB HIS 84 2HB HIS 84 -12.303 11.709 2.358 666 2HB HIS 84 1HB HIS 84 -10.692 12.406 2.303 667 HD1 HIS 84 1HD HIS 84 -11.812 8.773 2.485 668 HD2 HIS 84 2HD HIS 84 -9.514 11.320 0.148 669 HE1 HIS 84 1HE HIS 84 -10.806 7.327 0.702 670 HE2 HIS 84 2HE HIS 84 -9.639 8.937 -0.836 671 H SER 85 H SER 85 -13.160 10.079 3.051 672 HA SER 85 HA SER 85 -14.562 9.890 5.596 673 1HB SER 85 2HB SER 85 -15.567 11.525 3.269 674 2HB SER 85 1HB SER 85 -16.622 10.947 4.559 675 HG SER 85 HG SER 85 -15.967 12.947 5.179 676 H ASP 86 H ASP 86 -13.538 7.845 3.940 677 HA ASP 86 HA ASP 86 -16.051 6.480 3.300 678 1HB ASP 86 2HB ASP 86 -14.247 7.366 1.336 679 2HB ASP 86 1HB ASP 86 -13.977 5.635 1.481 680 H LEU 87 H LEU 87 -14.434 6.327 5.604 681 HA LEU 87 HA LEU 87 -12.550 4.337 5.736 682 1HB LEU 87 2HB LEU 87 -14.449 5.550 7.624 683 2HB LEU 87 1HB LEU 87 -13.860 3.964 8.087 684 HG LEU 87 HG LEU 87 -12.171 6.400 7.516 685 1HD1 LEU 87 1HD1 LEU 87 -13.452 6.300 9.685 686 2HD1 LEU 87 2HD1 LEU 87 -11.700 6.448 9.831 687 3HD1 LEU 87 3HD1 LEU 87 -12.479 4.887 10.095 688 1HD2 LEU 87 1HD2 LEU 87 -10.836 4.645 6.795 689 2HD2 LEU 87 2HD2 LEU 87 -11.471 3.530 8.006 690 3HD2 LEU 87 3HD2 LEU 87 -10.372 4.822 8.487 691 H ASP 88 H ASP 88 -15.901 3.977 5.081 692 HA ASP 88 HA ASP 88 -16.569 1.505 6.035 693 1HB ASP 88 2HB ASP 88 -17.212 2.702 3.336 694 2HB ASP 88 1HB ASP 88 -17.999 1.266 3.987 695 H ALA 89 H ALA 89 -15.098 2.050 2.811 696 HA ALA 89 HA ALA 89 -14.609 -0.717 2.404 697 1HB ALA 89 1HB ALA 89 -13.219 0.047 0.481 698 2HB ALA 89 2HB ALA 89 -13.506 1.709 0.995 699 3HB ALA 89 3HB ALA 89 -14.858 0.700 0.487 700 H ALA 90 H ALA 90 -12.983 1.745 4.122 701 HA ALA 90 HA ALA 90 -10.330 0.754 3.984 702 1HB ALA 90 1HB ALA 90 -11.199 3.073 4.745 703 2HB ALA 90 2HB ALA 90 -9.779 2.382 5.533 704 3HB ALA 90 3HB ALA 90 -11.353 2.306 6.324 705 H VAL 91 H VAL 91 -12.925 0.338 6.411 706 HA VAL 91 HA VAL 91 -11.339 -1.242 8.128 707 HB VAL 91 HB VAL 91 -14.324 -1.480 8.033 708 1HG1 VAL 91 1HG1 VAL 91 -13.488 -1.392 10.641 709 2HG1 VAL 91 2HG1 VAL 91 -12.140 -2.210 9.844 710 3HG1 VAL 91 3HG1 VAL 91 -13.776 -2.866 9.713 711 1HG2 VAL 91 1HG2 VAL 91 -14.590 0.670 8.560 712 2HG2 VAL 91 2HG2 VAL 91 -12.856 0.935 8.372 713 3HG2 VAL 91 3HG2 VAL 91 -13.513 0.472 9.941 714 H SER 92 H SER 92 -13.861 -2.198 5.793 715 HA SER 92 HA SER 92 -13.520 -4.966 6.140 716 1HB SER 92 2HB SER 92 -14.381 -3.549 3.608 717 2HB SER 92 1HB SER 92 -14.662 -5.246 4.010 718 HG SER 92 HG SER 92 -15.676 -3.002 5.431 719 H ALA 93 H ALA 93 -11.709 -2.587 4.403 720 HA ALA 93 HA ALA 93 -10.325 -4.233 2.617 721 1HB ALA 93 1HB ALA 93 -10.115 -1.962 2.203 722 2HB ALA 93 2HB ALA 93 -8.540 -2.401 2.852 723 3HB ALA 93 3HB ALA 93 -9.723 -1.605 3.883 724 H TYR 94 H TYR 94 -9.701 -3.337 5.951 725 HA TYR 94 HA TYR 94 -7.212 -4.682 6.177 726 1HB TYR 94 2HB TYR 94 -9.041 -4.314 8.528 727 2HB TYR 94 1HB TYR 94 -7.287 -4.248 8.480 728 HD1 TYR 94 1HD TYR 94 -6.651 -2.271 6.500 729 HD2 TYR 94 2HD TYR 94 -9.880 -2.315 9.280 730 HE1 TYR 94 1HE TYR 94 -6.741 0.184 6.433 731 HE2 TYR 94 2HE TYR 94 -9.970 0.138 9.215 732 HH TYR 94 HH TYR 94 -9.249 1.958 7.396 733 H GLN 95 H GLN 95 -10.505 -5.625 6.368 734 HA GLN 95 HA GLN 95 -10.263 -8.003 7.831 735 1HB GLN 95 2HB GLN 95 -12.460 -7.403 7.597 736 2HB GLN 95 1HB GLN 95 -12.258 -6.873 5.941 737 1HG GLN 95 2HG GLN 95 -12.062 -9.777 6.528 738 2HG GLN 95 1HG GLN 95 -13.650 -9.013 6.548 739 1HE2 GLN 95 1HE2 GLN 95 -13.556 -7.234 4.529 740 2HE2 GLN 95 2HE2 GLN 95 -13.283 -8.036 3.023 741 H GLN 96 H GLN 96 -9.878 -7.381 4.362 742 HA GLN 96 HA GLN 96 -9.161 -10.171 3.998 743 1HB GLN 96 2HB GLN 96 -9.395 -9.807 1.630 744 2HB GLN 96 1HB GLN 96 -10.823 -9.215 2.467 745 1HG GLN 96 2HG GLN 96 -8.928 -7.089 2.212 746 2HG GLN 96 1HG GLN 96 -9.187 -7.849 0.642 747 1HE2 GLN 96 1HE2 GLN 96 -11.478 -8.286 0.121 748 2HE2 GLN 96 2HE2 GLN 96 -12.633 -7.060 0.500 749 H GLY 97 H GLY 97 -7.632 -7.064 4.213 750 1HA GLY 97 2HA GLY 97 -5.065 -8.257 4.077 751 2HA GLY 97 1HA GLY 97 -5.429 -7.485 2.547 752 H ALA 98 H ALA 98 -6.475 -5.110 3.065 753 HA ALA 98 HA ALA 98 -4.583 -3.349 3.495 754 1HB ALA 98 1HB ALA 98 -7.356 -3.107 4.581 755 2HB ALA 98 2HB ALA 98 -6.730 -2.526 3.043 756 3HB ALA 98 3HB ALA 98 -6.211 -1.773 4.550 757 H PHE 99 H PHE 99 -3.346 -2.401 5.050 758 HA PHE 99 HA PHE 99 -3.114 -3.846 7.522 759 1HB PHE 99 2HB PHE 99 -1.125 -3.179 6.188 760 2HB PHE 99 1HB PHE 99 -1.494 -1.495 6.540 761 HD1 PHE 99 1HD PHE 99 -1.384 -4.606 8.597 762 HD2 PHE 99 2HD PHE 99 -0.004 -0.618 8.040 763 HE1 PHE 99 1HE PHE 99 -0.090 -4.769 10.682 764 HE2 PHE 99 2HE PHE 99 1.298 -0.779 10.121 765 HZ PHE 99 HZ PHE 99 1.255 -2.853 11.446 766 H ASP 100 H ASP 100 -3.563 -0.427 6.617 767 HA ASP 100 HA ASP 100 -5.512 0.086 8.563 768 1HB ASP 100 2HB ASP 100 -4.331 1.250 10.284 769 2HB ASP 100 1HB ASP 100 -3.520 -0.299 10.076 770 H TYR 101 H TYR 101 -4.993 2.758 9.178 771 HA TYR 101 HA TYR 101 -4.514 4.048 6.590 772 1HB TYR 101 2HB TYR 101 -7.071 3.976 8.083 773 2HB TYR 101 1HB TYR 101 -6.586 5.559 7.484 774 HD1 TYR 101 1HD TYR 101 -6.957 2.038 6.287 775 HD2 TYR 101 2HD TYR 101 -7.182 6.179 5.379 776 HE1 TYR 101 1HE TYR 101 -7.843 1.493 4.064 777 HE2 TYR 101 2HE TYR 101 -8.068 5.651 3.157 778 HH TYR 101 HH TYR 101 -8.804 4.048 1.806 779 H LEU 102 H LEU 102 -3.990 6.265 6.711 780 HA LEU 102 HA LEU 102 -2.891 7.039 9.315 781 1HB LEU 102 2HB LEU 102 -2.017 7.320 6.554 782 2HB LEU 102 1HB LEU 102 -1.933 8.833 7.437 783 HG LEU 102 HG LEU 102 -0.478 7.837 9.101 784 1HD1 LEU 102 1HD1 LEU 102 -1.569 5.541 8.837 785 2HD1 LEU 102 2HD1 LEU 102 0.169 5.603 9.131 786 3HD1 LEU 102 3HD1 LEU 102 -0.439 5.314 7.502 787 1HD2 LEU 102 1HD2 LEU 102 0.778 8.724 7.375 788 2HD2 LEU 102 2HD2 LEU 102 0.250 7.500 6.224 789 3HD2 LEU 102 3HD2 LEU 102 1.396 7.078 7.495 790 HA PRO 103 HA PRO 103 -6.287 9.976 9.524 791 1HB PRO 103 2HB PRO 103 -4.801 11.038 11.835 792 2HB PRO 103 1HB PRO 103 -6.433 10.372 11.761 793 1HG PRO 103 2HG PRO 103 -4.410 9.042 12.927 794 2HG PRO 103 1HG PRO 103 -5.707 8.204 12.056 795 1HD PRO 103 2HD PRO 103 -2.915 8.818 11.173 796 2HD PRO 103 1HD PRO 103 -3.889 7.356 10.909 797 H LYS 104 H LYS 104 -3.257 11.394 10.722 798 HA LYS 104 HA LYS 104 -3.568 13.533 8.729 799 1HB LYS 104 2HB LYS 104 -2.469 13.793 11.531 800 2HB LYS 104 1HB LYS 104 -2.578 15.089 10.348 801 1HG LYS 104 2HG LYS 104 -5.151 14.060 10.484 802 2HG LYS 104 1HG LYS 104 -4.581 14.059 12.153 803 1HD LYS 104 2HD LYS 104 -4.490 16.324 12.262 804 2HD LYS 104 1HD LYS 104 -4.015 16.490 10.571 805 1HE LYS 104 2HE LYS 104 -6.146 17.349 10.512 806 2HE LYS 104 1HE LYS 104 -6.455 15.659 10.118 807 1HZ LYS 104 1HZ LYS 104 -6.693 16.836 12.833 808 2HZ LYS 104 2HZ LYS 104 -7.070 15.248 12.394 809 3HZ LYS 104 3HZ LYS 104 -7.990 16.532 11.793 810 HA PRO 105 HA PRO 105 1.264 13.051 9.426 811 1HB PRO 105 2HB PRO 105 1.899 10.539 10.444 812 2HB PRO 105 1HB PRO 105 1.941 12.054 11.352 813 1HG PRO 105 2HG PRO 105 -0.187 9.962 11.249 814 2HG PRO 105 1HG PRO 105 0.392 10.908 12.631 815 1HD PRO 105 2HD PRO 105 -1.907 11.508 11.431 816 2HD PRO 105 1HD PRO 105 -0.831 12.788 12.014 817 H PHE 106 H PHE 106 2.763 11.816 8.093 818 HA PHE 106 HA PHE 106 2.027 9.473 6.720 819 1HB PHE 106 2HB PHE 106 0.383 10.923 5.622 820 2HB PHE 106 1HB PHE 106 1.664 12.030 5.134 821 HD1 PHE 106 1HD PHE 106 1.113 8.343 4.959 822 HD2 PHE 106 2HD PHE 106 2.159 11.908 2.895 823 HE1 PHE 106 1HE PHE 106 1.420 7.045 2.896 824 HE2 PHE 106 2HE PHE 106 2.469 10.618 0.822 825 HZ PHE 106 HZ PHE 106 2.099 8.182 0.821 826 H ASP 107 H ASP 107 3.465 11.782 4.598 827 HA ASP 107 HA ASP 107 5.545 11.747 3.652 828 1HB ASP 107 2HB ASP 107 7.328 12.412 5.232 829 2HB ASP 107 1HB ASP 107 5.852 13.344 5.455 830 H ILE 108 H ILE 108 7.943 10.774 4.049 831 HA ILE 108 HA ILE 108 7.605 7.989 3.746 832 HB ILE 108 HB ILE 108 9.691 9.854 3.290 833 1HG1 ILE 108 2HG1 ILE 108 10.430 8.141 1.713 834 2HG1 ILE 108 1HG1 ILE 108 9.397 6.956 2.499 835 1HG2 ILE 108 1HG2 ILE 108 11.618 8.358 3.805 836 2HG2 ILE 108 2HG2 ILE 108 10.520 7.377 4.774 837 3HG2 ILE 108 3HG2 ILE 108 10.838 9.051 5.226 838 1HD1 ILE 108 1HD1 ILE 108 7.449 7.944 1.689 839 2HD1 ILE 108 2HD1 ILE 108 8.571 8.013 0.330 840 3HD1 ILE 108 3HD1 ILE 108 8.268 9.457 1.298 841 H ASP 109 H ASP 109 8.923 9.901 6.377 842 HA ASP 109 HA ASP 109 9.939 7.911 7.976 843 1HB ASP 109 2HB ASP 109 8.480 10.415 8.825 844 2HB ASP 109 1HB ASP 109 9.358 9.374 9.935 845 H GLU 110 H GLU 110 6.584 9.168 8.244 846 HA GLU 110 HA GLU 110 5.827 7.023 9.953 847 1HB GLU 110 2HB GLU 110 4.116 9.046 8.513 848 2HB GLU 110 1HB GLU 110 3.524 7.909 9.708 849 1HG GLU 110 2HG GLU 110 5.764 9.721 10.441 850 2HG GLU 110 1HG GLU 110 4.124 10.367 10.361 851 H ALA 111 H ALA 111 5.657 7.619 6.533 852 HA ALA 111 HA ALA 111 3.798 5.579 5.903 853 1HB ALA 111 1HB ALA 111 5.915 6.938 4.251 854 2HB ALA 111 2HB ALA 111 4.177 7.250 4.266 855 3HB ALA 111 3HB ALA 111 4.797 5.739 3.598 856 H VAL 112 H VAL 112 7.337 5.640 5.450 857 HA VAL 112 HA VAL 112 7.613 2.912 4.898 858 HB VAL 112 HB VAL 112 9.662 4.693 6.215 859 1HG1 VAL 112 1HG1 VAL 112 9.699 1.952 5.721 860 2HG1 VAL 112 2HG1 VAL 112 11.080 2.981 6.110 861 3HG1 VAL 112 3HG1 VAL 112 10.664 2.662 4.425 862 1HG2 VAL 112 1HG2 VAL 112 8.656 4.527 3.449 863 2HG2 VAL 112 2HG2 VAL 112 10.411 4.559 3.623 864 3HG2 VAL 112 3HG2 VAL 112 9.433 5.863 4.295 865 H ALA 113 H ALA 113 7.392 4.663 7.874 866 HA ALA 113 HA ALA 113 8.308 2.665 9.640 867 1HB ALA 113 1HB ALA 113 8.062 4.950 10.374 868 2HB ALA 113 2HB ALA 113 7.009 3.919 11.342 869 3HB ALA 113 3HB ALA 113 6.331 4.899 10.038 870 H LEU 114 H LEU 114 5.129 3.544 8.421 871 HA LEU 114 HA LEU 114 3.744 1.491 9.812 872 1HB LEU 114 2HB LEU 114 2.771 3.682 9.063 873 2HB LEU 114 1HB LEU 114 2.800 3.060 7.423 874 HG LEU 114 HG LEU 114 1.309 1.188 8.191 875 1HD1 LEU 114 1HD1 LEU 114 0.010 1.879 10.329 876 2HD1 LEU 114 2HD1 LEU 114 1.484 2.770 10.715 877 3HD1 LEU 114 3HD1 LEU 114 1.543 1.026 10.471 878 1HD2 LEU 114 1HD2 LEU 114 -0.442 2.398 7.516 879 2HD2 LEU 114 2HD2 LEU 114 0.689 3.745 7.403 880 3HD2 LEU 114 3HD2 LEU 114 -0.288 3.528 8.857 881 H VAL 115 H VAL 115 5.391 1.657 6.773 882 HA VAL 115 HA VAL 115 3.994 -0.588 5.645 883 HB VAL 115 HB VAL 115 5.117 1.274 4.298 884 1HG1 VAL 115 1HG1 VAL 115 7.310 1.029 5.495 885 2HG1 VAL 115 2HG1 VAL 115 7.409 1.072 3.740 886 3HG1 VAL 115 3HG1 VAL 115 7.553 -0.464 4.596 887 1HG2 VAL 115 1HG2 VAL 115 4.384 -1.255 3.650 888 2HG2 VAL 115 2HG2 VAL 115 6.067 -1.245 3.125 889 3HG2 VAL 115 3HG2 VAL 115 4.937 -0.049 2.490 890 H GLU 116 H GLU 116 7.168 -0.089 7.133 891 HA GLU 116 HA GLU 116 8.091 -2.728 6.744 892 1HB GLU 116 2HB GLU 116 8.881 -0.576 8.700 893 2HB GLU 116 1HB GLU 116 9.685 -2.138 8.636 894 1HG GLU 116 2HG GLU 116 10.265 -1.718 6.282 895 2HG GLU 116 1HG GLU 116 9.517 -0.126 6.403 896 H ARG 117 H ARG 117 6.413 -1.183 9.473 897 HA ARG 117 HA ARG 117 6.523 -3.416 11.176 898 1HB ARG 117 2HB ARG 117 4.813 -2.336 12.496 899 2HB ARG 117 1HB ARG 117 5.981 -1.139 11.960 900 1HG ARG 117 2HG ARG 117 4.367 -0.580 10.102 901 2HG ARG 117 1HG ARG 117 3.189 -1.587 10.948 902 1HD ARG 117 2HD ARG 117 4.591 0.849 12.044 903 2HD ARG 117 1HD ARG 117 2.904 0.747 11.562 904 HE ARG 117 HE ARG 117 4.104 -0.343 13.977 905 1HH1 ARG 117 1HH1 ARG 117 1.273 -0.099 11.945 906 2HH1 ARG 117 2HH1 ARG 117 0.184 -0.596 13.192 907 1HH2 ARG 117 1HH2 ARG 117 2.668 -1.001 15.612 908 2HH2 ARG 117 2HH2 ARG 117 0.973 -1.108 15.271 909 H ALA 118 H ALA 118 4.565 -2.715 8.437 910 HA ALA 118 HA ALA 118 2.413 -4.472 9.038 911 1HB ALA 118 1HB ALA 118 1.769 -4.190 6.713 912 2HB ALA 118 2HB ALA 118 3.331 -3.456 6.351 913 3HB ALA 118 3HB ALA 118 2.198 -2.633 7.424 914 H ILE 119 H ILE 119 5.346 -4.762 7.052 915 HA ILE 119 HA ILE 119 4.862 -7.426 6.231 916 HB ILE 119 HB ILE 119 7.551 -6.089 6.441 917 1HG1 ILE 119 2HG1 ILE 119 6.110 -6.062 3.860 918 2HG1 ILE 119 1HG1 ILE 119 5.480 -4.982 5.100 919 1HG2 ILE 119 1HG2 ILE 119 7.998 -7.536 4.422 920 2HG2 ILE 119 2HG2 ILE 119 6.489 -8.371 4.797 921 3HG2 ILE 119 3HG2 ILE 119 7.817 -8.385 5.959 922 1HD1 ILE 119 1HD1 ILE 119 7.089 -3.850 3.681 923 2HD1 ILE 119 2HD1 ILE 119 8.311 -5.051 4.097 924 3HD1 ILE 119 3HD1 ILE 119 7.677 -3.969 5.337 925 H SER 120 H SER 120 6.415 -5.979 8.974 926 HA SER 120 HA SER 120 7.800 -8.241 9.921 927 1HB SER 120 2HB SER 120 8.294 -5.955 10.692 928 2HB SER 120 1HB SER 120 6.718 -5.884 11.481 929 HG SER 120 HG SER 120 8.120 -6.493 13.046 930 H HIS 121 H HIS 121 4.556 -6.987 10.558 931 HA HIS 121 HA HIS 121 3.861 -8.809 12.577 932 1HB HIS 121 2HB HIS 121 2.303 -7.101 10.674 933 2HB HIS 121 1HB HIS 121 1.460 -8.278 11.679 934 HD1 HIS 121 1HD HIS 121 4.352 -6.035 12.681 935 HD2 HIS 121 2HD HIS 121 0.346 -6.677 13.583 936 HE1 HIS 121 1HE HIS 121 3.855 -4.536 14.638 937 HE2 HIS 121 2HE HIS 121 1.437 -4.973 15.196 938 H TYR 122 H TYR 122 3.928 -9.075 9.126 939 HA TYR 122 HA TYR 122 2.403 -11.503 9.048 940 1HB TYR 122 2HB TYR 122 3.322 -9.582 7.149 941 2HB TYR 122 1HB TYR 122 3.867 -11.178 6.646 942 HD1 TYR 122 1HD TYR 122 1.479 -8.981 5.894 943 HD2 TYR 122 2HD TYR 122 1.753 -12.960 7.373 944 HE1 TYR 122 1HE TYR 122 -0.765 -9.460 5.008 945 HE2 TYR 122 2HE TYR 122 -0.489 -13.449 6.491 946 HH TYR 122 HH TYR 122 -2.576 -12.070 5.914 947 H GLN 123 H GLN 123 5.792 -10.608 8.492 948 HA GLN 123 HA GLN 123 6.651 -13.324 8.306 949 1HB GLN 123 2HB GLN 123 7.746 -10.768 7.752 950 2HB GLN 123 1HB GLN 123 8.831 -11.574 8.874 951 1HG GLN 123 2HG GLN 123 9.719 -12.541 7.085 952 2HG GLN 123 1HG GLN 123 8.270 -13.547 7.056 953 1HE2 GLN 123 1HE2 GLN 123 10.200 -11.860 5.135 954 2HE2 GLN 123 2HE2 GLN 123 9.081 -11.324 3.933 955 H GLU 124 H GLU 124 8.554 -14.033 9.750 956 HA GLU 124 HA GLU 124 8.283 -13.123 12.509 957 1HB GLU 124 2HB GLU 124 7.545 -15.843 11.507 958 2HB GLU 124 1HB GLU 124 8.252 -15.685 13.111 959 1HG GLU 124 2HG GLU 124 5.938 -13.967 12.358 960 2HG GLU 124 1HG GLU 124 5.666 -15.653 12.787 Start of MODEL 11 1 1H MET 1 1HT MET 1 11.525 -17.368 4.895 2 2H MET 1 2HT MET 1 10.385 -16.335 4.134 3 3H MET 1 3HT MET 1 12.066 -16.014 3.994 4 HA MET 1 HA MET 1 12.239 -18.259 2.932 5 1HB MET 1 2HB MET 1 9.302 -17.843 3.204 6 2HB MET 1 1HB MET 1 9.881 -18.587 1.720 7 1HG MET 1 2HG MET 1 10.404 -20.516 2.733 8 2HG MET 1 1HG MET 1 10.996 -19.714 4.187 9 1HE MET 1 1HE MET 1 9.832 -21.820 5.590 10 2HE MET 1 2HE MET 1 8.506 -21.105 6.508 11 3HE MET 1 3HE MET 1 10.010 -20.209 6.285 12 H GLN 2 H GLN 2 10.304 -15.364 2.352 13 HA GLN 2 HA GLN 2 11.318 -15.225 -0.392 14 1HB GLN 2 2HB GLN 2 8.981 -14.058 1.042 15 2HB GLN 2 1HB GLN 2 9.648 -13.155 -0.312 16 1HG GLN 2 2HG GLN 2 8.627 -14.475 -1.764 17 2HG GLN 2 1HG GLN 2 9.339 -15.913 -1.033 18 1HE2 GLN 2 1HE2 GLN 2 6.524 -14.027 -1.420 19 2HE2 GLN 2 2HE2 GLN 2 5.472 -14.975 -0.432 20 H ARG 3 H ARG 3 12.404 -13.415 -1.173 21 HA ARG 3 HA ARG 3 14.235 -12.209 0.575 22 1HB ARG 3 2HB ARG 3 14.741 -10.696 -1.366 23 2HB ARG 3 1HB ARG 3 14.831 -12.414 -1.724 24 1HG ARG 3 2HG ARG 3 12.386 -12.121 -2.537 25 2HG ARG 3 1HG ARG 3 12.797 -10.407 -2.593 26 1HD ARG 3 2HD ARG 3 14.130 -10.654 -4.386 27 2HD ARG 3 1HD ARG 3 14.775 -12.193 -3.824 28 HE ARG 3 HE ARG 3 12.232 -11.836 -5.269 29 1HH1 ARG 3 1HH1 ARG 3 14.892 -13.874 -4.251 30 2HH1 ARG 3 2HH1 ARG 3 14.403 -15.205 -5.242 31 1HH2 ARG 3 1HH2 ARG 3 11.605 -13.588 -6.567 32 2HH2 ARG 3 2HH2 ARG 3 12.542 -15.045 -6.551 33 H GLY 4 H GLY 4 10.974 -11.458 -0.004 34 1HA GLY 4 2HA GLY 4 9.737 -9.871 1.199 35 2HA GLY 4 1HA GLY 4 11.235 -9.044 1.605 36 H ILE 5 H ILE 5 8.661 -9.359 -0.684 37 HA ILE 5 HA ILE 5 9.838 -7.238 -2.340 38 HB ILE 5 HB ILE 5 7.440 -8.931 -3.018 39 1HG1 ILE 5 2HG1 ILE 5 9.335 -9.898 -4.648 40 2HG1 ILE 5 1HG1 ILE 5 10.353 -9.467 -3.278 41 1HG2 ILE 5 1HG2 ILE 5 8.476 -8.180 -5.369 42 2HG2 ILE 5 2HG2 ILE 5 8.972 -6.807 -4.380 43 3HG2 ILE 5 3HG2 ILE 5 7.266 -7.236 -4.501 44 1HD1 ILE 5 1HD1 ILE 5 8.754 -11.767 -3.631 45 2HD1 ILE 5 2HD1 ILE 5 8.071 -10.840 -2.293 46 3HD1 ILE 5 3HD1 ILE 5 9.764 -11.333 -2.253 47 H VAL 6 H VAL 6 9.189 -5.258 -1.922 48 HA VAL 6 HA VAL 6 6.489 -4.848 -0.832 49 HB VAL 6 HB VAL 6 8.215 -3.939 0.626 50 1HG1 VAL 6 1HG1 VAL 6 9.037 -1.968 -1.457 51 2HG1 VAL 6 2HG1 VAL 6 9.772 -3.567 -1.439 52 3HG1 VAL 6 3HG1 VAL 6 9.905 -2.529 -0.032 53 1HG2 VAL 6 1HG2 VAL 6 7.276 -1.398 -0.447 54 2HG2 VAL 6 2HG2 VAL 6 6.945 -2.162 1.108 55 3HG2 VAL 6 3HG2 VAL 6 5.999 -2.608 -0.312 56 H TRP 7 H TRP 7 5.021 -3.761 -1.961 57 HA TRP 7 HA TRP 7 5.908 -2.399 -4.414 58 1HB TRP 7 2HB TRP 7 3.482 -4.108 -3.884 59 2HB TRP 7 1HB TRP 7 3.525 -2.964 -5.225 60 HD1 TRP 7 HD1 TRP 7 6.897 -4.374 -4.758 61 HE1 TRP 7 1HE TRP 7 7.387 -6.197 -6.488 62 HE3 TRP 7 3HE TRP 7 2.151 -5.112 -6.498 63 HZ2 TRP 7 2HZ TRP 7 5.953 -7.765 -8.335 64 HZ3 TRP 7 3HZ TRP 7 1.798 -6.803 -8.253 65 HH2 TRP 7 HH2 TRP 7 3.662 -8.101 -9.151 66 H VAL 8 H VAL 8 5.053 -0.393 -4.872 67 HA VAL 8 HA VAL 8 3.221 0.754 -2.873 68 HB VAL 8 HB VAL 8 5.238 2.622 -3.927 69 1HG1 VAL 8 1HG1 VAL 8 4.821 2.270 -1.037 70 2HG1 VAL 8 2HG1 VAL 8 3.394 2.708 -1.974 71 3HG1 VAL 8 3HG1 VAL 8 4.824 3.735 -2.016 72 1HG2 VAL 8 1HG2 VAL 8 6.040 0.198 -2.407 73 2HG2 VAL 8 2HG2 VAL 8 6.788 1.734 -1.975 74 3HG2 VAL 8 3HG2 VAL 8 6.924 1.121 -3.623 75 H VAL 9 H VAL 9 1.829 2.337 -3.608 76 HA VAL 9 HA VAL 9 1.978 3.014 -6.465 77 HB VAL 9 HB VAL 9 -0.580 2.968 -6.439 78 1HG1 VAL 9 1HG1 VAL 9 -0.617 0.508 -6.921 79 2HG1 VAL 9 2HG1 VAL 9 1.061 0.454 -6.370 80 3HG1 VAL 9 3HG1 VAL 9 0.620 1.427 -7.767 81 1HG2 VAL 9 1HG2 VAL 9 -1.440 2.574 -4.413 82 2HG2 VAL 9 2HG2 VAL 9 0.020 1.769 -3.843 83 3HG2 VAL 9 3HG2 VAL 9 -1.146 0.884 -4.819 84 H ASP 10 H ASP 10 2.455 5.132 -6.406 85 HA ASP 10 HA ASP 10 0.545 6.984 -5.368 86 1HB ASP 10 2HB ASP 10 1.781 6.312 -3.293 87 2HB ASP 10 1HB ASP 10 3.241 6.990 -4.004 88 H ASP 11 H ASP 11 0.966 7.151 -7.787 89 HA ASP 11 HA ASP 11 1.500 8.587 -9.466 90 1HB ASP 11 2HB ASP 11 1.629 10.246 -7.471 91 2HB ASP 11 1HB ASP 11 3.371 10.116 -7.692 92 H ASP 12 H ASP 12 3.777 6.696 -7.847 93 HA ASP 12 HA ASP 12 5.757 5.764 -8.480 94 1HB ASP 12 2HB ASP 12 4.198 5.665 -10.664 95 2HB ASP 12 1HB ASP 12 5.481 6.692 -11.293 96 H SER 13 H SER 13 7.492 6.676 -10.651 97 HA SER 13 HA SER 13 9.444 7.860 -10.623 98 1HB SER 13 2HB SER 13 7.584 8.953 -12.040 99 2HB SER 13 1HB SER 13 7.662 10.246 -10.847 100 HG SER 13 HG SER 13 9.550 9.442 -12.735 101 H SER 14 H SER 14 7.753 10.586 -9.227 102 HA SER 14 HA SER 14 9.803 11.271 -7.496 103 1HB SER 14 2HB SER 14 6.934 12.004 -7.740 104 2HB SER 14 1HB SER 14 7.726 12.391 -6.213 105 HG SER 14 HG SER 14 8.957 13.060 -8.654 106 H ILE 15 H ILE 15 6.662 9.926 -6.432 107 HA ILE 15 HA ILE 15 7.533 9.321 -3.841 108 HB ILE 15 HB ILE 15 5.325 7.903 -5.345 109 1HG1 ILE 15 2HG1 ILE 15 5.017 10.335 -5.435 110 2HG1 ILE 15 1HG1 ILE 15 3.830 9.595 -4.366 111 1HG2 ILE 15 1HG2 ILE 15 6.274 7.898 -2.558 112 2HG2 ILE 15 2HG2 ILE 15 5.370 6.678 -3.455 113 3HG2 ILE 15 3HG2 ILE 15 4.531 8.065 -2.761 114 1HD1 ILE 15 1HD1 ILE 15 4.506 11.487 -3.222 115 2HD1 ILE 15 2HD1 ILE 15 6.201 11.271 -3.666 116 3HD1 ILE 15 3HD1 ILE 15 5.455 10.199 -2.479 117 H ARG 16 H ARG 16 8.088 7.711 -6.815 118 HA ARG 16 HA ARG 16 8.525 5.090 -5.805 119 1HB ARG 16 2HB ARG 16 8.068 5.464 -8.165 120 2HB ARG 16 1HB ARG 16 9.531 6.424 -8.319 121 1HG ARG 16 2HG ARG 16 10.673 4.221 -7.444 122 2HG ARG 16 1HG ARG 16 9.216 3.479 -8.100 123 1HD ARG 16 2HD ARG 16 9.689 4.759 -10.229 124 2HD ARG 16 1HD ARG 16 11.267 5.137 -9.542 125 HE ARG 16 HE ARG 16 10.748 2.342 -9.470 126 1HH1 ARG 16 1HH1 ARG 16 11.695 4.933 -11.611 127 2HH1 ARG 16 2HH1 ARG 16 12.564 3.892 -12.688 128 1HH2 ARG 16 1HH2 ARG 16 11.889 0.973 -10.887 129 2HH2 ARG 16 2HH2 ARG 16 12.673 1.646 -12.279 130 H TRP 17 H TRP 17 10.834 7.583 -6.906 131 HA TRP 17 HA TRP 17 13.161 6.293 -6.164 132 1HB TRP 17 2HB TRP 17 13.084 8.363 -7.518 133 2HB TRP 17 1HB TRP 17 12.674 9.275 -6.068 134 HD1 TRP 17 HD1 TRP 17 15.566 7.047 -7.375 135 HE1 TRP 17 1HE TRP 17 17.762 7.903 -6.341 136 HE3 TRP 17 3HE TRP 17 13.670 10.711 -4.349 137 HZ2 TRP 17 2HZ TRP 17 18.583 9.865 -4.491 138 HZ3 TRP 17 3HZ TRP 17 15.234 12.029 -2.975 139 HH2 TRP 17 HH2 TRP 17 17.639 11.613 -3.047 140 H VAL 18 H VAL 18 11.046 8.327 -4.197 141 HA VAL 18 HA VAL 18 12.711 8.546 -1.968 142 HB VAL 18 HB VAL 18 9.712 8.472 -1.836 143 1HG1 VAL 18 1HG1 VAL 18 11.574 10.172 -0.212 144 2HG1 VAL 18 2HG1 VAL 18 11.202 8.514 0.252 145 3HG1 VAL 18 3HG1 VAL 18 9.908 9.706 0.133 146 1HG2 VAL 18 1HG2 VAL 18 9.959 10.047 -3.485 147 2HG2 VAL 18 2HG2 VAL 18 11.551 10.553 -2.924 148 3HG2 VAL 18 3HG2 VAL 18 10.104 11.057 -2.049 149 H LEU 19 H LEU 19 10.016 6.303 -2.439 150 HA LEU 19 HA LEU 19 10.700 4.875 -0.053 151 1HB LEU 19 2HB LEU 19 8.355 5.289 -1.240 152 2HB LEU 19 1HB LEU 19 8.741 3.734 -1.955 153 HG LEU 19 HG LEU 19 8.902 2.714 0.243 154 1HD1 LEU 19 1HD1 LEU 19 8.978 5.498 1.102 155 2HD1 LEU 19 2HD1 LEU 19 9.564 4.043 1.907 156 3HD1 LEU 19 3HD1 LEU 19 7.867 4.504 2.044 157 1HD2 LEU 19 1HD2 LEU 19 6.723 2.351 0.063 158 2HD2 LEU 19 2HD2 LEU 19 6.536 3.826 -0.884 159 3HD2 LEU 19 3HD2 LEU 19 6.401 3.884 0.872 160 H GLU 20 H GLU 20 11.442 4.492 -3.399 161 HA GLU 20 HA GLU 20 11.856 1.702 -3.344 162 1HB GLU 20 2HB GLU 20 12.842 1.891 -5.467 163 2HB GLU 20 1HB GLU 20 11.588 3.110 -5.411 164 1HG GLU 20 2HG GLU 20 13.278 4.821 -5.013 165 2HG GLU 20 1HG GLU 20 14.533 3.586 -5.071 166 H ARG 21 H ARG 21 14.222 4.327 -3.286 167 HA ARG 21 HA ARG 21 16.444 2.691 -2.763 168 1HB ARG 21 2HB ARG 21 15.986 5.625 -2.231 169 2HB ARG 21 1HB ARG 21 17.543 4.829 -2.046 170 1HG ARG 21 2HG ARG 21 16.256 4.382 -4.638 171 2HG ARG 21 1HG ARG 21 16.685 6.062 -4.307 172 1HD ARG 21 2HD ARG 21 18.841 5.644 -4.657 173 2HD ARG 21 1HD ARG 21 18.816 4.298 -3.520 174 HE ARG 21 HE ARG 21 17.737 3.780 -6.168 175 1HH1 ARG 21 1HH1 ARG 21 20.472 3.539 -4.005 176 2HH1 ARG 21 2HH1 ARG 21 21.229 2.274 -4.911 177 1HH2 ARG 21 1HH2 ARG 21 18.740 2.117 -7.354 178 2HH2 ARG 21 2HH2 ARG 21 20.250 1.468 -6.808 179 H ALA 22 H ALA 22 14.485 4.659 -0.524 180 HA ALA 22 HA ALA 22 15.899 4.050 1.794 181 1HB ALA 22 1HB ALA 22 14.310 5.219 2.889 182 2HB ALA 22 2HB ALA 22 12.990 4.349 2.107 183 3HB ALA 22 3HB ALA 22 13.812 5.655 1.253 184 H LEU 23 H LEU 23 13.094 2.432 0.424 185 HA LEU 23 HA LEU 23 12.996 0.456 2.465 186 1HB LEU 23 2HB LEU 23 11.144 1.234 0.801 187 2HB LEU 23 1HB LEU 23 11.847 0.035 -0.266 188 HG LEU 23 HG LEU 23 11.100 -1.733 0.986 189 1HD1 LEU 23 1HD1 LEU 23 10.320 -1.402 3.413 190 2HD1 LEU 23 2HD1 LEU 23 11.228 0.107 3.343 191 3HD1 LEU 23 3HD1 LEU 23 12.050 -1.429 3.085 192 1HD2 LEU 23 1HD2 LEU 23 9.239 -0.116 0.195 193 2HD2 LEU 23 2HD2 LEU 23 8.996 0.167 1.918 194 3HD2 LEU 23 3HD2 LEU 23 8.830 -1.461 1.261 195 H ALA 24 H ALA 24 14.766 0.830 -0.463 196 HA ALA 24 HA ALA 24 15.449 -1.897 -0.857 197 1HB ALA 24 1HB ALA 24 16.953 0.584 -1.710 198 2HB ALA 24 2HB ALA 24 15.689 -0.218 -2.641 199 3HB ALA 24 3HB ALA 24 17.211 -1.050 -2.325 200 H GLY 25 H GLY 25 16.699 0.749 1.080 201 1HA GLY 25 2HA GLY 25 19.150 -0.465 1.834 202 2HA GLY 25 1HA GLY 25 18.316 0.810 2.715 203 H ALA 26 H ALA 26 15.863 -0.915 2.826 204 HA ALA 26 HA ALA 26 16.467 -2.194 5.306 205 1HB ALA 26 1HB ALA 26 13.964 -2.985 4.871 206 2HB ALA 26 2HB ALA 26 14.023 -1.647 3.725 207 3HB ALA 26 3HB ALA 26 14.354 -1.360 5.434 208 H GLY 27 H GLY 27 16.540 -3.141 2.032 209 1HA GLY 27 2HA GLY 27 17.507 -5.198 1.360 210 2HA GLY 27 1HA GLY 27 16.967 -5.915 2.867 211 H LEU 28 H LEU 28 14.736 -4.023 0.895 212 HA LEU 28 HA LEU 28 13.511 -6.549 0.060 213 1HB LEU 28 2HB LEU 28 11.704 -4.252 0.438 214 2HB LEU 28 1HB LEU 28 11.436 -5.955 0.741 215 HG LEU 28 HG LEU 28 13.145 -5.453 2.728 216 1HD1 LEU 28 1HD1 LEU 28 12.132 -2.855 1.864 217 2HD1 LEU 28 2HD1 LEU 28 13.636 -3.285 2.670 218 3HD1 LEU 28 3HD1 LEU 28 12.139 -3.175 3.597 219 1HD2 LEU 28 1HD2 LEU 28 10.538 -4.547 3.541 220 2HD2 LEU 28 2HD2 LEU 28 11.374 -6.051 3.926 221 3HD2 LEU 28 3HD2 LEU 28 10.418 -5.927 2.450 222 H THR 29 H THR 29 11.884 -6.243 -1.746 223 HA THR 29 HA THR 29 13.138 -4.592 -3.815 224 HB THR 29 HB THR 29 11.074 -6.801 -3.993 225 HG1 THR 29 1HG THR 29 13.810 -6.695 -4.728 226 1HG2 THR 29 1HG2 THR 29 11.878 -6.678 -6.484 227 2HG2 THR 29 2HG2 THR 29 12.158 -4.985 -6.078 228 3HG2 THR 29 3HG2 THR 29 10.546 -5.679 -5.903 229 H CYS 30 H CYS 30 12.367 -2.566 -3.790 230 HA CYS 30 HA CYS 30 9.519 -2.142 -3.293 231 1HB CYS 30 2HB CYS 30 11.316 -0.905 -2.006 232 2HB CYS 30 1HB CYS 30 11.650 -0.033 -3.496 233 HG CYS 30 HG CYS 30 9.772 0.983 -1.650 234 H THR 31 H THR 31 8.241 -2.080 -5.024 235 HA THR 31 HA THR 31 9.209 -0.641 -7.409 236 HB THR 31 HB THR 31 8.805 -3.218 -7.612 237 HG1 THR 31 1HG THR 31 8.815 -2.626 -9.617 238 1HG2 THR 31 1HG2 THR 31 6.750 -4.073 -7.624 239 2HG2 THR 31 2HG2 THR 31 6.032 -2.624 -8.313 240 3HG2 THR 31 3HG2 THR 31 6.366 -2.700 -6.584 241 H THR 32 H THR 32 7.717 0.819 -8.369 242 HA THR 32 HA THR 32 5.304 1.284 -6.763 243 HB THR 32 HB THR 32 5.559 3.665 -7.094 244 HG1 THR 32 1HG THR 32 7.078 2.981 -9.116 245 1HG2 THR 32 1HG2 THR 32 6.966 3.895 -5.401 246 2HG2 THR 32 2HG2 THR 32 8.314 3.234 -6.326 247 3HG2 THR 32 3HG2 THR 32 7.204 2.149 -5.492 248 H PHE 33 H PHE 33 3.544 2.347 -7.774 249 HA PHE 33 HA PHE 33 3.434 2.131 -10.686 250 1HB PHE 33 2HB PHE 33 1.172 1.158 -8.975 251 2HB PHE 33 1HB PHE 33 1.396 0.967 -10.691 252 HD1 PHE 33 1HD PHE 33 3.317 0.142 -7.595 253 HD2 PHE 33 2HD PHE 33 1.868 -1.146 -11.380 254 HE1 PHE 33 1HE PHE 33 4.335 -2.062 -7.226 255 HE2 PHE 33 2HE PHE 33 2.874 -3.355 -11.015 256 HZ PHE 33 HZ PHE 33 4.095 -3.829 -8.939 257 H GLU 34 H GLU 34 1.224 3.036 -11.458 258 HA GLU 34 HA GLU 34 1.157 5.767 -10.809 259 1HB GLU 34 2HB GLU 34 -0.518 5.959 -12.434 260 2HB GLU 34 1HB GLU 34 0.424 4.577 -12.966 261 1HG GLU 34 2HG GLU 34 -1.754 3.744 -11.254 262 2HG GLU 34 1HG GLU 34 -2.335 4.709 -12.605 263 H ASN 35 H ASN 35 -0.738 3.056 -9.651 264 HA ASN 35 HA ASN 35 -1.562 4.343 -7.311 265 1HB ASN 35 2HB ASN 35 -2.992 5.387 -9.343 266 2HB ASN 35 1HB ASN 35 -4.002 3.996 -8.961 267 1HD2 ASN 35 1HD2 ASN 35 -3.131 7.148 -8.106 268 2HD2 ASN 35 2HD2 ASN 35 -4.031 7.260 -6.636 269 H GLY 36 H GLY 36 -3.620 3.080 -6.390 270 1HA GLY 36 2HA GLY 36 -2.847 0.468 -5.957 271 2HA GLY 36 1HA GLY 36 -4.480 1.063 -5.715 272 H ASN 37 H ASN 37 -4.486 1.728 -8.712 273 HA ASN 37 HA ASN 37 -5.802 -0.625 -9.541 274 1HB ASN 37 2HB ASN 37 -5.685 2.021 -10.379 275 2HB ASN 37 1HB ASN 37 -5.031 1.106 -11.733 276 1HD2 ASN 37 1HD2 ASN 37 -7.540 0.315 -9.366 277 2HD2 ASN 37 2HD2 ASN 37 -8.793 0.053 -10.523 278 H GLU 38 H GLU 38 -2.702 0.830 -10.613 279 HA GLU 38 HA GLU 38 -2.023 -1.043 -12.521 280 1HB GLU 38 2HB GLU 38 -0.754 1.094 -11.365 281 2HB GLU 38 1HB GLU 38 0.225 -0.258 -10.824 282 1HG GLU 38 2HG GLU 38 0.517 -0.975 -13.150 283 2HG GLU 38 1HG GLU 38 -0.433 0.409 -13.683 284 H VAL 39 H VAL 39 -1.187 -1.170 -9.027 285 HA VAL 39 HA VAL 39 0.192 -3.561 -9.045 286 HB VAL 39 HB VAL 39 -1.664 -2.572 -6.875 287 1HG1 VAL 39 1HG1 VAL 39 0.262 -4.832 -7.024 288 2HG1 VAL 39 2HG1 VAL 39 -1.277 -4.710 -6.172 289 3HG1 VAL 39 3HG1 VAL 39 0.156 -3.926 -5.517 290 1HG2 VAL 39 1HG2 VAL 39 0.052 -1.293 -6.063 291 2HG2 VAL 39 2HG2 VAL 39 0.383 -1.192 -7.793 292 3HG2 VAL 39 3HG2 VAL 39 1.297 -2.313 -6.785 293 H LEU 40 H LEU 40 -3.276 -3.042 -9.213 294 HA LEU 40 HA LEU 40 -4.156 -5.635 -8.614 295 1HB LEU 40 2HB LEU 40 -5.431 -3.901 -10.717 296 2HB LEU 40 1HB LEU 40 -6.203 -5.077 -9.672 297 HG LEU 40 HG LEU 40 -5.101 -2.396 -8.849 298 1HD1 LEU 40 1HD1 LEU 40 -7.509 -2.023 -8.231 299 2HD1 LEU 40 2HD1 LEU 40 -7.882 -3.490 -9.134 300 3HD1 LEU 40 3HD1 LEU 40 -7.169 -2.106 -9.958 301 1HD2 LEU 40 1HD2 LEU 40 -4.776 -3.417 -6.871 302 2HD2 LEU 40 2HD2 LEU 40 -5.790 -4.794 -7.303 303 3HD2 LEU 40 3HD2 LEU 40 -6.531 -3.300 -6.728 304 H ALA 41 H ALA 41 -3.235 -4.164 -11.705 305 HA ALA 41 HA ALA 41 -3.635 -6.527 -13.236 306 1HB ALA 41 1HB ALA 41 -3.587 -4.127 -14.086 307 2HB ALA 41 2HB ALA 41 -2.762 -5.341 -15.065 308 3HB ALA 41 3HB ALA 41 -1.829 -4.267 -14.024 309 H ALA 42 H ALA 42 -0.758 -4.931 -11.986 310 HA ALA 42 HA ALA 42 1.135 -6.775 -12.922 311 1HB ALA 42 1HB ALA 42 2.367 -5.063 -12.189 312 2HB ALA 42 2HB ALA 42 2.241 -5.787 -10.586 313 3HB ALA 42 3HB ALA 42 1.111 -4.526 -11.079 314 H LEU 43 H LEU 43 -0.910 -6.790 -10.078 315 HA LEU 43 HA LEU 43 0.463 -8.825 -8.680 316 1HB LEU 43 2HB LEU 43 -2.273 -7.652 -8.484 317 2HB LEU 43 1HB LEU 43 -1.888 -9.124 -7.605 318 HG LEU 43 HG LEU 43 -0.387 -6.539 -7.299 319 1HD1 LEU 43 1HD1 LEU 43 -1.530 -6.481 -5.092 320 2HD1 LEU 43 2HD1 LEU 43 -2.544 -7.820 -5.632 321 3HD1 LEU 43 3HD1 LEU 43 -2.625 -6.264 -6.457 322 1HD2 LEU 43 1HD2 LEU 43 -0.205 -9.273 -6.144 323 2HD2 LEU 43 2HD2 LEU 43 0.262 -7.877 -5.169 324 3HD2 LEU 43 3HD2 LEU 43 1.085 -8.204 -6.695 325 H ALA 44 H ALA 44 -1.799 -8.901 -11.280 326 HA ALA 44 HA ALA 44 -2.953 -11.396 -10.980 327 1HB ALA 44 1HB ALA 44 -2.993 -11.385 -13.550 328 2HB ALA 44 2HB ALA 44 -2.242 -9.795 -13.408 329 3HB ALA 44 3HB ALA 44 -3.827 -10.090 -12.692 330 H SER 45 H SER 45 0.325 -10.650 -11.676 331 HA SER 45 HA SER 45 0.835 -13.476 -12.206 332 1HB SER 45 2HB SER 45 1.267 -12.328 -14.257 333 2HB SER 45 1HB SER 45 2.184 -11.072 -13.425 334 HG SER 45 HG SER 45 3.382 -12.845 -14.537 335 H LYS 46 H LYS 46 1.136 -11.272 -9.863 336 HA LYS 46 HA LYS 46 3.177 -12.715 -8.521 337 1HB LYS 46 2HB LYS 46 4.134 -10.726 -10.198 338 2HB LYS 46 1HB LYS 46 4.115 -9.961 -8.614 339 1HG LYS 46 2HG LYS 46 5.214 -12.511 -8.227 340 2HG LYS 46 1HG LYS 46 5.959 -11.869 -9.691 341 1HD LYS 46 2HD LYS 46 6.123 -9.694 -8.151 342 2HD LYS 46 1HD LYS 46 6.139 -10.924 -6.887 343 1HE LYS 46 2HE LYS 46 8.360 -10.904 -7.286 344 2HE LYS 46 1HE LYS 46 7.915 -11.996 -8.596 345 1HZ LYS 46 1HZ LYS 46 8.923 -9.297 -8.712 346 2HZ LYS 46 2HZ LYS 46 7.602 -9.574 -9.732 347 3HZ LYS 46 3HZ LYS 46 8.991 -10.529 -9.869 348 H THR 47 H THR 47 3.482 -12.017 -6.322 349 HA THR 47 HA THR 47 1.621 -10.000 -5.374 350 HB THR 47 HB THR 47 1.766 -12.822 -4.317 351 HG1 THR 47 1HG THR 47 -0.299 -11.346 -5.574 352 1HG2 THR 47 1HG2 THR 47 0.069 -12.231 -2.721 353 2HG2 THR 47 2HG2 THR 47 0.066 -10.563 -3.291 354 3HG2 THR 47 3HG2 THR 47 1.491 -11.215 -2.477 355 HA PRO 48 HA PRO 48 5.411 -9.213 -3.079 356 1HB PRO 48 2HB PRO 48 4.768 -6.765 -2.166 357 2HB PRO 48 1HB PRO 48 5.239 -7.037 -3.848 358 1HG PRO 48 2HG PRO 48 2.519 -6.664 -2.674 359 2HG PRO 48 1HG PRO 48 3.179 -6.045 -4.198 360 1HD PRO 48 2HD PRO 48 1.549 -8.250 -3.983 361 2HD PRO 48 1HD PRO 48 2.667 -7.958 -5.327 362 H ASP 49 H ASP 49 5.941 -8.834 -0.802 363 HA ASP 49 HA ASP 49 4.114 -10.204 0.917 364 1HB ASP 49 2HB ASP 49 6.729 -8.798 1.498 365 2HB ASP 49 1HB ASP 49 5.833 -9.751 2.677 366 H VAL 50 H VAL 50 4.670 -6.901 0.113 367 HA VAL 50 HA VAL 50 2.591 -6.107 1.993 368 HB VAL 50 HB VAL 50 4.585 -5.703 3.287 369 1HG1 VAL 50 1HG1 VAL 50 5.722 -3.729 1.421 370 2HG1 VAL 50 2HG1 VAL 50 5.885 -5.420 0.957 371 3HG1 VAL 50 3HG1 VAL 50 6.524 -4.864 2.500 372 1HG2 VAL 50 1HG2 VAL 50 3.694 -3.047 2.175 373 2HG2 VAL 50 2HG2 VAL 50 4.309 -3.392 3.791 374 3HG2 VAL 50 3HG2 VAL 50 2.734 -4.010 3.299 375 H LEU 51 H LEU 51 1.762 -3.894 1.514 376 HA LEU 51 HA LEU 51 2.491 -2.780 -1.063 377 1HB LEU 51 2HB LEU 51 0.890 -4.629 -1.544 378 2HB LEU 51 1HB LEU 51 -0.311 -3.793 -0.583 379 HG LEU 51 HG LEU 51 -0.103 -1.855 -2.188 380 1HD1 LEU 51 1HD1 LEU 51 0.800 -2.448 -4.436 381 2HD1 LEU 51 2HD1 LEU 51 1.499 -3.904 -3.717 382 3HD1 LEU 51 3HD1 LEU 51 2.024 -2.305 -3.176 383 1HD2 LEU 51 1HD2 LEU 51 -1.001 -4.476 -3.379 384 2HD2 LEU 51 2HD2 LEU 51 -1.555 -2.863 -3.829 385 3HD2 LEU 51 3HD2 LEU 51 -1.938 -3.515 -2.236 386 H LEU 52 H LEU 52 2.259 -0.643 -1.094 387 HA LEU 52 HA LEU 52 0.616 0.642 1.001 388 1HB LEU 52 2HB LEU 52 3.298 0.892 0.668 389 2HB LEU 52 1HB LEU 52 2.736 2.191 -0.360 390 HG LEU 52 HG LEU 52 1.861 1.950 2.502 391 1HD1 LEU 52 1HD1 LEU 52 3.676 3.928 2.583 392 2HD1 LEU 52 2HD1 LEU 52 4.434 2.861 1.399 393 3HD1 LEU 52 3HD1 LEU 52 4.034 2.253 3.006 394 1HD2 LEU 52 1HD2 LEU 52 1.869 4.168 0.472 395 2HD2 LEU 52 2HD2 LEU 52 1.561 4.420 2.191 396 3HD2 LEU 52 3HD2 LEU 52 0.479 3.406 1.241 397 H SER 53 H SER 53 -1.194 1.588 0.178 398 HA SER 53 HA SER 53 -1.048 2.556 -2.594 399 1HB SER 53 2HB SER 53 -3.210 1.114 -1.136 400 2HB SER 53 1HB SER 53 -3.648 2.225 -2.433 401 HG SER 53 HG SER 53 -2.785 0.914 -3.866 402 H ASP 54 H ASP 54 -1.944 4.467 -3.198 403 HA ASP 54 HA ASP 54 -2.199 6.433 -1.097 404 1HB ASP 54 2HB ASP 54 -1.100 6.607 -3.524 405 2HB ASP 54 1HB ASP 54 -2.724 7.153 -3.934 406 H ILE 55 H ILE 55 -3.962 8.215 -1.673 407 HA ILE 55 HA ILE 55 -6.500 7.118 -2.490 408 HB ILE 55 HB ILE 55 -6.483 6.356 -0.219 409 1HG1 ILE 55 2HG1 ILE 55 -8.180 8.859 -0.369 410 2HG1 ILE 55 1HG1 ILE 55 -8.631 7.280 -0.993 411 1HG2 ILE 55 1HG2 ILE 55 -4.821 7.600 0.812 412 2HG2 ILE 55 2HG2 ILE 55 -6.305 8.051 1.654 413 3HG2 ILE 55 3HG2 ILE 55 -5.610 9.136 0.447 414 1HD1 ILE 55 1HD1 ILE 55 -8.080 6.642 1.553 415 2HD1 ILE 55 2HD1 ILE 55 -9.679 7.096 0.968 416 3HD1 ILE 55 3HD1 ILE 55 -8.653 8.298 1.752 417 H ARG 56 H ARG 56 -5.688 8.897 -4.009 418 HA ARG 56 HA ARG 56 -6.423 11.562 -2.998 419 1HB ARG 56 2HB ARG 56 -4.266 10.639 -4.659 420 2HB ARG 56 1HB ARG 56 -5.229 11.805 -5.551 421 1HG ARG 56 2HG ARG 56 -4.710 12.694 -2.846 422 2HG ARG 56 1HG ARG 56 -3.222 12.355 -3.728 423 1HD ARG 56 2HD ARG 56 -5.373 13.945 -5.048 424 2HD ARG 56 1HD ARG 56 -4.341 14.720 -3.851 425 HE ARG 56 HE ARG 56 -2.478 14.375 -5.265 426 1HH1 ARG 56 1HH1 ARG 56 -5.488 13.363 -6.732 427 2HH1 ARG 56 2HH1 ARG 56 -4.839 13.348 -8.337 428 1HH2 ARG 56 1HH2 ARG 56 -1.636 14.358 -7.378 429 2HH2 ARG 56 2HH2 ARG 56 -2.657 13.908 -8.704 430 H MET 57 H MET 57 -8.454 9.747 -3.690 431 HA MET 57 HA MET 57 -10.424 9.689 -4.783 432 1HB MET 57 2HB MET 57 -9.717 12.387 -4.725 433 2HB MET 57 1HB MET 57 -10.256 12.091 -6.374 434 1HG MET 57 2HG MET 57 -12.266 10.921 -5.261 435 2HG MET 57 1HG MET 57 -11.769 11.793 -3.814 436 1HE MET 57 1HE MET 57 -14.480 11.841 -5.049 437 2HE MET 57 2HE MET 57 -14.991 13.465 -5.511 438 3HE MET 57 3HE MET 57 -14.380 13.161 -3.884 439 HA PRO 58 HA PRO 58 -8.178 8.623 -8.831 440 1HB PRO 58 2HB PRO 58 -7.956 5.939 -8.418 441 2HB PRO 58 1HB PRO 58 -6.685 7.092 -7.997 442 1HG PRO 58 2HG PRO 58 -8.731 5.800 -6.240 443 2HG PRO 58 1HG PRO 58 -7.018 6.119 -5.921 444 1HD PRO 58 2HD PRO 58 -9.020 7.664 -4.944 445 2HD PRO 58 1HD PRO 58 -7.411 8.302 -5.322 446 H GLY 59 H GLY 59 -9.946 5.827 -7.530 447 1HA GLY 59 2HA GLY 59 -11.943 6.194 -9.665 448 2HA GLY 59 1HA GLY 59 -11.520 4.655 -8.928 449 H MET 60 H MET 60 -11.520 5.884 -6.238 450 HA MET 60 HA MET 60 -14.190 6.806 -5.740 451 1HB MET 60 2HB MET 60 -14.619 4.389 -5.970 452 2HB MET 60 1HB MET 60 -13.399 4.060 -4.750 453 1HG MET 60 2HG MET 60 -15.081 4.051 -3.307 454 2HG MET 60 1HG MET 60 -15.026 5.807 -3.446 455 1HE MET 60 1HE MET 60 -17.460 5.589 -2.425 456 2HE MET 60 2HE MET 60 -17.689 3.854 -2.637 457 3HE MET 60 3HE MET 60 -18.861 4.987 -3.311 458 H ASP 61 H ASP 61 -12.445 8.375 -5.079 459 HA ASP 61 HA ASP 61 -11.552 9.599 -3.376 460 1HB ASP 61 2HB ASP 61 -13.426 7.985 -2.095 461 2HB ASP 61 1HB ASP 61 -11.950 7.788 -1.154 462 H GLY 62 H GLY 62 -10.845 6.212 -3.613 463 1HA GLY 62 2HA GLY 62 -8.309 5.997 -4.032 464 2HA GLY 62 1HA GLY 62 -8.219 6.560 -2.370 465 H LEU 63 H LEU 63 -10.730 5.189 -1.695 466 HA LEU 63 HA LEU 63 -9.609 2.690 -0.940 467 1HB LEU 63 2HB LEU 63 -12.525 3.331 -0.728 468 2HB LEU 63 1HB LEU 63 -11.544 2.318 0.314 469 HG LEU 63 HG LEU 63 -10.323 4.663 0.746 470 1HD1 LEU 63 1HD1 LEU 63 -13.052 5.726 0.796 471 2HD1 LEU 63 2HD1 LEU 63 -12.364 5.534 -0.816 472 3HD1 LEU 63 3HD1 LEU 63 -11.530 6.514 0.389 473 1HD2 LEU 63 1HD2 LEU 63 -12.790 3.580 2.078 474 2HD2 LEU 63 2HD2 LEU 63 -11.798 4.874 2.751 475 3HD2 LEU 63 3HD2 LEU 63 -11.107 3.272 2.495 476 H ALA 64 H ALA 64 -11.180 3.830 -3.714 477 HA ALA 64 HA ALA 64 -12.707 1.679 -4.588 478 1HB ALA 64 1HB ALA 64 -12.873 2.956 -6.409 479 2HB ALA 64 2HB ALA 64 -11.162 2.728 -6.772 480 3HB ALA 64 3HB ALA 64 -11.670 4.036 -5.706 481 H LEU 65 H LEU 65 -9.245 2.286 -5.141 482 HA LEU 65 HA LEU 65 -8.666 -0.054 -6.534 483 1HB LEU 65 2HB LEU 65 -6.369 0.385 -6.089 484 2HB LEU 65 1HB LEU 65 -7.171 1.926 -6.315 485 HG LEU 65 HG LEU 65 -7.327 1.782 -3.649 486 1HD1 LEU 65 1HD1 LEU 65 -5.956 0.332 -2.662 487 2HD1 LEU 65 2HD1 LEU 65 -4.616 0.791 -3.704 488 3HD1 LEU 65 3HD1 LEU 65 -5.761 -0.435 -4.234 489 1HD2 LEU 65 1HD2 LEU 65 -6.054 3.599 -3.822 490 2HD2 LEU 65 2HD2 LEU 65 -5.844 3.208 -5.529 491 3HD2 LEU 65 3HD2 LEU 65 -4.661 2.651 -4.346 492 H LEU 66 H LEU 66 -8.955 0.514 -3.083 493 HA LEU 66 HA LEU 66 -7.708 -1.807 -2.138 494 1HB LEU 66 2HB LEU 66 -9.912 -0.096 -1.024 495 2HB LEU 66 1HB LEU 66 -9.371 -1.534 -0.186 496 HG LEU 66 HG LEU 66 -8.276 0.350 0.790 497 1HD1 LEU 66 1HD1 LEU 66 -6.957 -1.839 -0.155 498 2HD1 LEU 66 2HD1 LEU 66 -6.276 -0.635 0.938 499 3HD1 LEU 66 3HD1 LEU 66 -5.980 -0.519 -0.797 500 1HD2 LEU 66 1HD2 LEU 66 -7.688 2.177 -0.336 501 2HD2 LEU 66 2HD2 LEU 66 -8.376 1.441 -1.775 502 3HD2 LEU 66 3HD2 LEU 66 -6.663 1.250 -1.422 503 H LYS 67 H LYS 67 -11.133 -1.218 -2.903 504 HA LYS 67 HA LYS 67 -12.148 -3.723 -2.281 505 1HB LYS 67 2HB LYS 67 -13.008 -1.910 -4.538 506 2HB LYS 67 1HB LYS 67 -13.979 -3.190 -3.816 507 1HG LYS 67 2HG LYS 67 -13.237 -1.640 -1.655 508 2HG LYS 67 1HG LYS 67 -13.543 -0.461 -2.931 509 1HD LYS 67 2HD LYS 67 -15.763 -0.933 -3.017 510 2HD LYS 67 1HD LYS 67 -15.524 -2.638 -2.625 511 1HE LYS 67 2HE LYS 67 -14.757 -1.519 -0.305 512 2HE LYS 67 1HE LYS 67 -15.924 -0.313 -0.846 513 1HZ LYS 67 1HZ LYS 67 -16.757 -3.096 -1.027 514 2HZ LYS 67 2HZ LYS 67 -17.643 -1.725 -0.580 515 3HZ LYS 67 3HZ LYS 67 -16.605 -2.461 0.535 516 H GLN 68 H GLN 68 -10.625 -2.596 -5.259 517 HA GLN 68 HA GLN 68 -11.095 -4.925 -6.782 518 1HB GLN 68 2HB GLN 68 -8.745 -3.072 -7.122 519 2HB GLN 68 1HB GLN 68 -9.536 -4.051 -8.348 520 1HG GLN 68 2HG GLN 68 -10.890 -1.781 -6.920 521 2HG GLN 68 1HG GLN 68 -10.020 -1.602 -8.442 522 1HE2 GLN 68 1HE2 GLN 68 -10.730 -3.079 -10.204 523 2HE2 GLN 68 2HE2 GLN 68 -12.425 -3.378 -10.361 524 H ILE 69 H ILE 69 -8.705 -4.094 -4.402 525 HA ILE 69 HA ILE 69 -6.740 -5.987 -5.057 526 HB ILE 69 HB ILE 69 -7.400 -4.705 -2.416 527 1HG1 ILE 69 2HG1 ILE 69 -5.122 -4.113 -4.300 528 2HG1 ILE 69 1HG1 ILE 69 -6.666 -3.279 -4.379 529 1HG2 ILE 69 1HG2 ILE 69 -4.671 -5.537 -2.590 530 2HG2 ILE 69 2HG2 ILE 69 -5.724 -6.926 -2.853 531 3HG2 ILE 69 3HG2 ILE 69 -5.889 -5.960 -1.390 532 1HD1 ILE 69 1HD1 ILE 69 -5.841 -1.829 -2.930 533 2HD1 ILE 69 2HD1 ILE 69 -4.429 -2.840 -2.631 534 3HD1 ILE 69 3HD1 ILE 69 -5.913 -3.106 -1.718 535 H LYS 70 H LYS 70 -9.262 -6.118 -2.601 536 HA LYS 70 HA LYS 70 -8.747 -8.753 -1.764 537 1HB LYS 70 2HB LYS 70 -10.934 -8.640 -0.668 538 2HB LYS 70 1HB LYS 70 -10.003 -7.172 -0.402 539 1HG LYS 70 2HG LYS 70 -11.751 -6.009 -1.119 540 2HG LYS 70 1HG LYS 70 -11.483 -6.698 -2.717 541 1HD LYS 70 2HD LYS 70 -13.245 -8.079 -2.553 542 2HD LYS 70 1HD LYS 70 -12.914 -8.456 -0.862 543 1HE LYS 70 2HE LYS 70 -15.037 -7.305 -1.052 544 2HE LYS 70 1HE LYS 70 -13.870 -6.285 -0.212 545 1HZ LYS 70 1HZ LYS 70 -14.873 -6.020 -2.980 546 2HZ LYS 70 2HZ LYS 70 -13.455 -5.250 -2.474 547 3HZ LYS 70 3HZ LYS 70 -14.928 -4.883 -1.729 548 H GLN 71 H GLN 71 -10.519 -7.504 -4.445 549 HA GLN 71 HA GLN 71 -12.227 -9.670 -4.913 550 1HB GLN 71 2HB GLN 71 -11.430 -7.266 -6.299 551 2HB GLN 71 1HB GLN 71 -11.662 -8.605 -7.415 552 1HG GLN 71 2HG GLN 71 -13.901 -8.804 -6.931 553 2HG GLN 71 1HG GLN 71 -13.731 -8.056 -5.343 554 1HE2 GLN 71 1HE2 GLN 71 -12.679 -5.720 -5.676 555 2HE2 GLN 71 2HE2 GLN 71 -13.572 -4.723 -6.766 556 H ARG 72 H ARG 72 -9.090 -8.949 -6.364 557 HA ARG 72 HA ARG 72 -9.033 -11.626 -7.520 558 1HB ARG 72 2HB ARG 72 -7.317 -9.193 -7.957 559 2HB ARG 72 1HB ARG 72 -6.920 -10.766 -8.638 560 1HG ARG 72 2HG ARG 72 -8.064 -9.916 -10.392 561 2HG ARG 72 1HG ARG 72 -9.423 -10.598 -9.500 562 1HD ARG 72 2HD ARG 72 -10.276 -8.525 -9.788 563 2HD ARG 72 1HD ARG 72 -9.310 -8.174 -8.354 564 HE ARG 72 HE ARG 72 -8.108 -6.739 -9.644 565 1HH1 ARG 72 1HH1 ARG 72 -9.437 -9.199 -11.737 566 2HH1 ARG 72 2HH1 ARG 72 -8.760 -8.516 -13.177 567 1HH2 ARG 72 1HH2 ARG 72 -7.219 -5.840 -11.539 568 2HH2 ARG 72 2HH2 ARG 72 -7.503 -6.609 -13.064 569 H HIS 73 H HIS 73 -7.535 -9.800 -4.994 570 HA HIS 73 HA HIS 73 -5.657 -12.015 -4.520 571 1HB HIS 73 2HB HIS 73 -5.355 -9.396 -3.121 572 2HB HIS 73 1HB HIS 73 -4.118 -10.536 -3.646 573 HD1 HIS 73 1HD HIS 73 -4.105 -10.698 -6.479 574 HD2 HIS 73 2HD HIS 73 -5.341 -7.180 -4.658 575 HE1 HIS 73 1HE HIS 73 -3.900 -8.922 -8.244 576 HE2 HIS 73 2HE HIS 73 -4.629 -6.791 -7.111 577 HA PRO 74 HA PRO 74 -7.959 -13.373 -1.014 578 1HB PRO 74 2HB PRO 74 -5.302 -13.865 0.231 579 2HB PRO 74 1HB PRO 74 -6.658 -14.966 -0.006 580 1HG PRO 74 2HG PRO 74 -4.474 -15.117 -1.529 581 2HG PRO 74 1HG PRO 74 -6.089 -15.407 -2.199 582 1HD PRO 74 2HD PRO 74 -4.324 -13.017 -2.466 583 2HD PRO 74 1HD PRO 74 -5.433 -13.739 -3.648 584 H MET 75 H MET 75 -4.983 -12.187 0.525 585 HA MET 75 HA MET 75 -6.455 -9.950 1.694 586 1HB MET 75 2HB MET 75 -4.964 -11.967 3.390 587 2HB MET 75 1HB MET 75 -5.812 -10.546 3.966 588 1HG MET 75 2HG MET 75 -7.791 -11.577 3.963 589 2HG MET 75 1HG MET 75 -7.494 -12.349 2.411 590 1HE MET 75 1HE MET 75 -4.638 -14.410 3.467 591 2HE MET 75 2HE MET 75 -5.707 -14.008 2.124 592 3HE MET 75 3HE MET 75 -5.900 -15.539 2.977 593 H LEU 76 H LEU 76 -4.658 -9.488 -0.171 594 HA LEU 76 HA LEU 76 -1.953 -9.374 0.572 595 1HB LEU 76 2HB LEU 76 -3.217 -9.000 -1.730 596 2HB LEU 76 1HB LEU 76 -3.076 -7.317 -1.258 597 HG LEU 76 HG LEU 76 -0.742 -9.209 -1.513 598 1HD1 LEU 76 1HD1 LEU 76 -0.718 -8.814 -3.694 599 2HD1 LEU 76 2HD1 LEU 76 -0.760 -7.074 -3.412 600 3HD1 LEU 76 3HD1 LEU 76 -2.267 -7.984 -3.535 601 1HD2 LEU 76 1HD2 LEU 76 -0.141 -7.522 0.001 602 2HD2 LEU 76 2HD2 LEU 76 -1.008 -6.282 -0.906 603 3HD2 LEU 76 3HD2 LEU 76 0.483 -6.971 -1.553 604 HA PRO 77 HA PRO 77 -2.276 -6.132 3.689 605 1HB PRO 77 2HB PRO 77 0.674 -6.180 3.328 606 2HB PRO 77 1HB PRO 77 -0.281 -6.288 4.811 607 1HG PRO 77 2HG PRO 77 0.898 -8.449 3.812 608 2HG PRO 77 1HG PRO 77 -0.728 -8.547 4.516 609 1HD PRO 77 2HD PRO 77 0.094 -8.495 1.637 610 2HD PRO 77 1HD PRO 77 -1.175 -9.451 2.430 611 H VAL 78 H VAL 78 -2.860 -4.197 3.053 612 HA VAL 78 HA VAL 78 -1.166 -2.649 1.232 613 HB VAL 78 HB VAL 78 -4.124 -2.189 1.413 614 1HG1 VAL 78 1HG1 VAL 78 -2.644 -0.490 0.389 615 2HG1 VAL 78 2HG1 VAL 78 -3.847 -1.138 -0.725 616 3HG1 VAL 78 3HG1 VAL 78 -2.172 -1.680 -0.823 617 1HG2 VAL 78 1HG2 VAL 78 -2.718 -4.221 -0.299 618 2HG2 VAL 78 2HG2 VAL 78 -4.291 -3.548 -0.719 619 3HG2 VAL 78 3HG2 VAL 78 -4.095 -4.458 0.776 620 H ILE 79 H ILE 79 -0.939 -0.447 1.721 621 HA ILE 79 HA ILE 79 -2.124 0.435 4.269 622 HB ILE 79 HB ILE 79 0.669 1.155 3.388 623 1HG1 ILE 79 2HG1 ILE 79 0.851 -0.459 5.663 624 2HG1 ILE 79 1HG1 ILE 79 -0.329 -1.278 4.645 625 1HG2 ILE 79 1HG2 ILE 79 -0.097 1.282 6.216 626 2HG2 ILE 79 2HG2 ILE 79 -0.965 2.401 5.164 627 3HG2 ILE 79 3HG2 ILE 79 0.798 2.436 5.228 628 1HD1 ILE 79 1HD1 ILE 79 2.340 -1.618 4.477 629 2HD1 ILE 79 2HD1 ILE 79 2.088 -0.377 3.252 630 3HD1 ILE 79 3HD1 ILE 79 1.213 -1.904 3.153 631 H ILE 80 H ILE 80 -3.413 2.114 3.883 632 HA ILE 80 HA ILE 80 -2.913 3.739 1.518 633 HB ILE 80 HB ILE 80 -5.318 3.863 3.317 634 1HG1 ILE 80 2HG1 ILE 80 -4.935 1.577 2.411 635 2HG1 ILE 80 1HG1 ILE 80 -6.394 2.323 1.780 636 1HG2 ILE 80 1HG2 ILE 80 -5.577 4.465 0.464 637 2HG2 ILE 80 2HG2 ILE 80 -4.525 5.575 1.336 638 3HG2 ILE 80 3HG2 ILE 80 -6.188 5.338 1.866 639 1HD1 ILE 80 1HD1 ILE 80 -5.519 2.565 -0.332 640 2HD1 ILE 80 2HD1 ILE 80 -4.812 1.038 0.193 641 3HD1 ILE 80 3HD1 ILE 80 -3.853 2.516 0.242 642 H MET 81 H MET 81 -2.607 5.919 1.497 643 HA MET 81 HA MET 81 -1.231 7.041 3.682 644 1HB MET 81 2HB MET 81 -1.033 9.026 2.327 645 2HB MET 81 1HB MET 81 -0.810 7.611 1.310 646 1HG MET 81 2HG MET 81 -2.764 7.950 0.171 647 2HG MET 81 1HG MET 81 -3.518 8.816 1.506 648 1HE MET 81 1HE MET 81 -3.633 12.121 0.250 649 2HE MET 81 2HE MET 81 -4.397 10.666 0.891 650 3HE MET 81 3HE MET 81 -4.216 10.872 -0.850 651 H THR 82 H THR 82 -4.589 7.328 2.663 652 HA THR 82 HA THR 82 -5.186 8.654 5.177 653 HB THR 82 HB THR 82 -6.258 9.877 2.644 654 HG1 THR 82 1HG THR 82 -3.967 10.105 2.717 655 1HG2 THR 82 1HG2 THR 82 -6.349 10.552 5.520 656 2HG2 THR 82 2HG2 THR 82 -7.569 10.762 4.267 657 3HG2 THR 82 3HG2 THR 82 -6.206 11.876 4.368 658 H ALA 83 H ALA 83 -7.659 8.926 5.436 659 HA ALA 83 HA ALA 83 -9.157 6.894 3.959 660 1HB ALA 83 1HB ALA 83 -8.025 6.181 6.304 661 2HB ALA 83 2HB ALA 83 -9.516 5.482 5.672 662 3HB ALA 83 3HB ALA 83 -9.583 6.781 6.861 663 H HIS 84 H HIS 84 -9.712 9.432 3.468 664 HA HIS 84 HA HIS 84 -11.849 10.268 5.287 665 1HB HIS 84 2HB HIS 84 -11.784 12.407 4.020 666 2HB HIS 84 1HB HIS 84 -10.249 11.991 4.773 667 HD1 HIS 84 1HD HIS 84 -11.871 11.512 1.365 668 HD2 HIS 84 2HD HIS 84 -8.178 12.303 3.087 669 HE1 HIS 84 1HE HIS 84 -10.293 11.824 -0.562 670 HE2 HIS 84 2HE HIS 84 -8.055 12.304 0.503 671 H SER 85 H SER 85 -13.687 11.476 4.039 672 HA SER 85 HA SER 85 -15.534 11.370 2.738 673 1HB SER 85 2HB SER 85 -13.641 11.230 0.928 674 2HB SER 85 1HB SER 85 -14.206 9.571 0.754 675 HG SER 85 HG SER 85 -16.297 10.417 0.356 676 H ASP 86 H ASP 86 -14.265 8.155 1.868 677 HA ASP 86 HA ASP 86 -16.584 6.998 3.271 678 1HB ASP 86 2HB ASP 86 -16.163 6.949 0.560 679 2HB ASP 86 1HB ASP 86 -15.485 5.404 1.062 680 H LEU 87 H LEU 87 -14.932 6.981 5.052 681 HA LEU 87 HA LEU 87 -12.651 5.408 5.057 682 1HB LEU 87 2HB LEU 87 -13.244 6.956 6.852 683 2HB LEU 87 1HB LEU 87 -14.602 5.946 7.296 684 HG LEU 87 HG LEU 87 -12.531 5.850 8.771 685 1HD1 LEU 87 1HD1 LEU 87 -14.467 4.158 8.561 686 2HD1 LEU 87 2HD1 LEU 87 -12.998 3.691 9.418 687 3HD1 LEU 87 3HD1 LEU 87 -13.267 3.142 7.769 688 1HD2 LEU 87 1HD2 LEU 87 -11.402 4.852 6.259 689 2HD2 LEU 87 2HD2 LEU 87 -11.070 3.840 7.659 690 3HD2 LEU 87 3HD2 LEU 87 -10.615 5.537 7.675 691 H ASP 88 H ASP 88 -15.954 4.458 5.001 692 HA ASP 88 HA ASP 88 -15.953 1.989 6.213 693 1HB ASP 88 2HB ASP 88 -17.809 3.356 4.891 694 2HB ASP 88 1HB ASP 88 -17.377 2.225 3.613 695 H ALA 89 H ALA 89 -15.291 2.584 2.746 696 HA ALA 89 HA ALA 89 -14.633 -0.062 2.127 697 1HB ALA 89 1HB ALA 89 -13.552 0.832 0.119 698 2HB ALA 89 2HB ALA 89 -13.652 2.458 0.793 699 3HB ALA 89 3HB ALA 89 -15.126 1.575 0.398 700 H ALA 90 H ALA 90 -12.860 2.317 3.850 701 HA ALA 90 HA ALA 90 -10.245 1.339 3.342 702 1HB ALA 90 1HB ALA 90 -9.715 2.553 5.536 703 2HB ALA 90 2HB ALA 90 -11.395 3.072 5.505 704 3HB ALA 90 3HB ALA 90 -10.315 3.524 4.193 705 H VAL 91 H VAL 91 -12.247 1.067 6.289 706 HA VAL 91 HA VAL 91 -10.675 -0.797 7.591 707 HB VAL 91 HB VAL 91 -13.677 -0.815 7.786 708 1HG1 VAL 91 1HG1 VAL 91 -11.429 -1.896 9.327 709 2HG1 VAL 91 2HG1 VAL 91 -13.115 -2.417 9.257 710 3HG1 VAL 91 3HG1 VAL 91 -12.650 -1.069 10.295 711 1HG2 VAL 91 1HG2 VAL 91 -13.091 0.869 9.721 712 2HG2 VAL 91 2HG2 VAL 91 -13.349 1.434 8.072 713 3HG2 VAL 91 3HG2 VAL 91 -11.709 1.233 8.688 714 H SER 92 H SER 92 -13.342 -1.355 5.313 715 HA SER 92 HA SER 92 -13.353 -4.155 5.470 716 1HB SER 92 2HB SER 92 -13.930 -2.700 2.908 717 2HB SER 92 1HB SER 92 -14.690 -4.158 3.553 718 HG SER 92 HG SER 92 -15.634 -2.847 5.173 719 H ALA 93 H ALA 93 -11.230 -1.913 3.967 720 HA ALA 93 HA ALA 93 -10.001 -3.715 2.144 721 1HB ALA 93 1HB ALA 93 -8.838 -1.160 3.178 722 2HB ALA 93 2HB ALA 93 -10.077 -1.210 1.925 723 3HB ALA 93 3HB ALA 93 -8.505 -1.960 1.643 724 H TYR 94 H TYR 94 -9.061 -2.305 5.228 725 HA TYR 94 HA TYR 94 -6.637 -3.781 5.418 726 1HB TYR 94 2HB TYR 94 -6.195 -2.221 6.912 727 2HB TYR 94 1HB TYR 94 -7.806 -1.570 6.644 728 HD1 TYR 94 1HD TYR 94 -5.947 -4.049 8.613 729 HD2 TYR 94 2HD TYR 94 -9.352 -1.565 8.334 730 HE1 TYR 94 1HE TYR 94 -6.493 -4.570 10.968 731 HE2 TYR 94 2HE TYR 94 -9.935 -2.056 10.684 732 HH TYR 94 HH TYR 94 -8.162 -4.461 12.543 733 H GLN 95 H GLN 95 -9.897 -4.309 6.417 734 HA GLN 95 HA GLN 95 -9.238 -6.464 8.205 735 1HB GLN 95 2HB GLN 95 -11.616 -6.817 8.399 736 2HB GLN 95 1HB GLN 95 -11.276 -5.093 8.471 737 1HG GLN 95 2HG GLN 95 -13.099 -5.149 7.102 738 2HG GLN 95 1HG GLN 95 -11.771 -5.138 5.944 739 1HE2 GLN 95 1HE2 GLN 95 -13.813 -5.930 4.733 740 2HE2 GLN 95 2HE2 GLN 95 -13.969 -7.649 4.616 741 H GLN 96 H GLN 96 -10.266 -6.159 4.844 742 HA GLN 96 HA GLN 96 -10.588 -8.958 4.445 743 1HB GLN 96 2HB GLN 96 -10.809 -8.438 2.088 744 2HB GLN 96 1HB GLN 96 -11.750 -7.297 3.042 745 1HG GLN 96 2HG GLN 96 -9.672 -5.791 2.862 746 2HG GLN 96 1HG GLN 96 -9.207 -6.855 1.537 747 1HE2 GLN 96 1HE2 GLN 96 -9.357 -4.925 0.234 748 2HE2 GLN 96 2HE2 GLN 96 -10.895 -4.417 -0.366 749 H GLY 97 H GLY 97 -7.859 -6.898 4.611 750 1HA GLY 97 2HA GLY 97 -5.972 -8.869 4.551 751 2HA GLY 97 1HA GLY 97 -6.178 -8.440 2.863 752 H ALA 98 H ALA 98 -6.645 -5.582 3.430 753 HA ALA 98 HA ALA 98 -4.004 -4.739 3.244 754 1HB ALA 98 1HB ALA 98 -6.551 -3.278 3.687 755 2HB ALA 98 2HB ALA 98 -5.430 -3.196 2.341 756 3HB ALA 98 3HB ALA 98 -5.030 -2.420 3.871 757 H PHE 99 H PHE 99 -2.717 -3.406 4.688 758 HA PHE 99 HA PHE 99 -2.542 -4.555 7.263 759 1HB PHE 99 2HB PHE 99 -0.612 -3.659 5.932 760 2HB PHE 99 1HB PHE 99 -1.181 -2.035 6.312 761 HD1 PHE 99 1HD PHE 99 -0.708 -5.179 8.266 762 HD2 PHE 99 2HD PHE 99 0.107 -1.017 7.909 763 HE1 PHE 99 1HE PHE 99 0.522 -5.242 10.392 764 HE2 PHE 99 2HE PHE 99 1.345 -1.075 10.037 765 HZ PHE 99 HZ PHE 99 1.552 -3.190 11.281 766 H ASP 100 H ASP 100 -3.326 -1.224 6.249 767 HA ASP 100 HA ASP 100 -5.401 -0.848 8.078 768 1HB ASP 100 2HB ASP 100 -4.389 0.438 9.850 769 2HB ASP 100 1HB ASP 100 -3.537 -1.096 9.738 770 H TYR 101 H TYR 101 -4.974 1.888 8.751 771 HA TYR 101 HA TYR 101 -4.593 3.204 6.152 772 1HB TYR 101 2HB TYR 101 -7.073 3.034 7.742 773 2HB TYR 101 1HB TYR 101 -6.661 4.650 7.183 774 HD1 TYR 101 1HD TYR 101 -7.181 1.168 5.985 775 HD2 TYR 101 2HD TYR 101 -7.156 5.301 5.002 776 HE1 TYR 101 1HE TYR 101 -8.165 0.649 3.793 777 HE2 TYR 101 2HE TYR 101 -8.150 4.804 2.818 778 HH TYR 101 HH TYR 101 -8.089 2.227 1.316 779 H LEU 102 H LEU 102 -4.101 5.456 6.276 780 HA LEU 102 HA LEU 102 -2.912 6.213 8.853 781 1HB LEU 102 2HB LEU 102 -1.943 6.291 6.217 782 2HB LEU 102 1HB LEU 102 -2.225 7.961 6.663 783 HG LEU 102 HG LEU 102 -0.693 7.849 8.465 784 1HD1 LEU 102 1HD1 LEU 102 -0.968 4.906 8.113 785 2HD1 LEU 102 2HD1 LEU 102 -1.014 5.876 9.586 786 3HD1 LEU 102 3HD1 LEU 102 0.525 5.560 8.783 787 1HD2 LEU 102 1HD2 LEU 102 0.161 6.737 5.862 788 2HD2 LEU 102 2HD2 LEU 102 1.313 6.639 7.192 789 3HD2 LEU 102 3HD2 LEU 102 0.670 8.202 6.696 790 HA PRO 103 HA PRO 103 -6.286 9.165 9.071 791 1HB PRO 103 2HB PRO 103 -5.598 10.236 11.487 792 2HB PRO 103 1HB PRO 103 -6.496 8.728 11.301 793 1HG PRO 103 2HG PRO 103 -3.634 9.159 11.962 794 2HG PRO 103 1HG PRO 103 -4.730 7.872 12.482 795 1HD PRO 103 2HD PRO 103 -2.804 7.616 10.517 796 2HD PRO 103 1HD PRO 103 -4.224 6.569 10.686 797 H LYS 104 H LYS 104 -3.524 10.612 10.765 798 HA LYS 104 HA LYS 104 -3.653 12.851 8.866 799 1HB LYS 104 2HB LYS 104 -3.748 12.823 11.666 800 2HB LYS 104 1HB LYS 104 -2.154 13.441 11.263 801 1HG LYS 104 2HG LYS 104 -2.996 15.300 10.189 802 2HG LYS 104 1HG LYS 104 -4.567 14.550 9.899 803 1HD LYS 104 2HD LYS 104 -4.456 14.551 12.621 804 2HD LYS 104 1HD LYS 104 -3.579 16.032 12.233 805 1HE LYS 104 2HE LYS 104 -5.489 17.082 11.808 806 2HE LYS 104 1HE LYS 104 -5.903 15.881 10.584 807 1HZ LYS 104 1HZ LYS 104 -6.331 14.840 13.188 808 2HZ LYS 104 2HZ LYS 104 -7.433 15.029 11.920 809 3HZ LYS 104 3HZ LYS 104 -7.164 16.301 13.001 810 HA PRO 105 HA PRO 105 1.153 12.162 9.779 811 1HB PRO 105 2HB PRO 105 0.934 9.277 10.499 812 2HB PRO 105 1HB PRO 105 2.057 10.504 11.092 813 1HG PRO 105 2HG PRO 105 0.027 9.694 12.599 814 2HG PRO 105 1HG PRO 105 0.510 11.401 12.566 815 1HD PRO 105 2HD PRO 105 -1.817 10.060 11.267 816 2HD PRO 105 1HD PRO 105 -1.705 11.678 11.990 817 H PHE 106 H PHE 106 2.590 11.368 8.217 818 HA PHE 106 HA PHE 106 1.933 9.213 6.484 819 1HB PHE 106 2HB PHE 106 0.351 10.942 5.660 820 2HB PHE 106 1HB PHE 106 1.720 11.982 5.285 821 HD1 PHE 106 1HD PHE 106 2.173 12.090 3.049 822 HD2 PHE 106 2HD PHE 106 0.858 8.395 4.696 823 HE1 PHE 106 1HE PHE 106 2.370 11.040 0.836 824 HE2 PHE 106 2HE PHE 106 1.054 7.335 2.483 825 HZ PHE 106 HZ PHE 106 1.811 8.658 0.550 826 H ASP 107 H ASP 107 3.466 11.552 4.599 827 HA ASP 107 HA ASP 107 5.585 11.560 3.749 828 1HB ASP 107 2HB ASP 107 7.263 12.309 5.354 829 2HB ASP 107 1HB ASP 107 5.729 13.126 5.642 830 H ILE 108 H ILE 108 7.974 10.643 4.226 831 HA ILE 108 HA ILE 108 7.734 7.845 3.930 832 HB ILE 108 HB ILE 108 9.791 9.787 3.569 833 1HG1 ILE 108 2HG1 ILE 108 10.590 8.199 1.942 834 2HG1 ILE 108 1HG1 ILE 108 9.674 6.903 2.698 835 1HG2 ILE 108 1HG2 ILE 108 10.970 9.026 5.455 836 2HG2 ILE 108 2HG2 ILE 108 11.711 8.202 4.084 837 3HG2 ILE 108 3HG2 ILE 108 10.577 7.343 5.119 838 1HD1 ILE 108 1HD1 ILE 108 7.633 7.750 1.941 839 2HD1 ILE 108 2HD1 ILE 108 8.729 7.923 0.568 840 3HD1 ILE 108 3HD1 ILE 108 8.328 9.326 1.559 841 H ASP 109 H ASP 109 8.906 9.834 6.564 842 HA ASP 109 HA ASP 109 9.935 7.922 8.239 843 1HB ASP 109 2HB ASP 109 8.701 10.572 8.657 844 2HB ASP 109 1HB ASP 109 8.767 9.531 10.074 845 H GLU 110 H GLU 110 6.527 9.043 8.362 846 HA GLU 110 HA GLU 110 5.813 6.897 10.095 847 1HB GLU 110 2HB GLU 110 4.073 8.865 8.616 848 2HB GLU 110 1HB GLU 110 3.489 7.716 9.807 849 1HG GLU 110 2HG GLU 110 5.517 9.871 10.342 850 2HG GLU 110 1HG GLU 110 3.799 9.977 10.715 851 H ALA 111 H ALA 111 5.684 7.462 6.665 852 HA ALA 111 HA ALA 111 3.915 5.350 6.013 853 1HB ALA 111 1HB ALA 111 4.904 5.546 3.726 854 2HB ALA 111 2HB ALA 111 6.038 6.730 4.377 855 3HB ALA 111 3HB ALA 111 4.307 7.066 4.391 856 H VAL 112 H VAL 112 7.474 5.548 5.765 857 HA VAL 112 HA VAL 112 7.853 2.827 5.194 858 HB VAL 112 HB VAL 112 9.805 4.668 6.573 859 1HG1 VAL 112 1HG1 VAL 112 11.307 3.020 6.465 860 2HG1 VAL 112 2HG1 VAL 112 10.867 2.624 4.804 861 3HG1 VAL 112 3HG1 VAL 112 9.949 1.939 6.146 862 1HG2 VAL 112 1HG2 VAL 112 9.671 5.824 4.651 863 2HG2 VAL 112 2HG2 VAL 112 8.844 4.517 3.810 864 3HG2 VAL 112 3HG2 VAL 112 10.600 4.490 3.969 865 H ALA 113 H ALA 113 7.539 4.583 8.165 866 HA ALA 113 HA ALA 113 8.454 2.642 9.977 867 1HB ALA 113 1HB ALA 113 7.057 3.883 11.621 868 2HB ALA 113 2HB ALA 113 6.394 4.817 10.278 869 3HB ALA 113 3HB ALA 113 8.113 4.923 10.663 870 H LEU 114 H LEU 114 5.250 3.365 8.714 871 HA LEU 114 HA LEU 114 3.960 1.267 10.130 872 1HB LEU 114 2HB LEU 114 2.834 3.345 9.495 873 2HB LEU 114 1HB LEU 114 3.027 2.931 7.802 874 HG LEU 114 HG LEU 114 1.599 0.897 8.237 875 1HD1 LEU 114 1HD1 LEU 114 0.142 0.987 10.220 876 2HD1 LEU 114 2HD1 LEU 114 1.097 2.333 10.842 877 3HD1 LEU 114 3HD1 LEU 114 1.837 0.746 10.644 878 1HD2 LEU 114 1HD2 LEU 114 0.297 3.545 8.802 879 2HD2 LEU 114 2HD2 LEU 114 -0.446 2.133 8.062 880 3HD2 LEU 114 3HD2 LEU 114 0.814 3.017 7.205 881 H VAL 115 H VAL 115 5.631 1.443 7.105 882 HA VAL 115 HA VAL 115 4.270 -0.820 5.972 883 HB VAL 115 HB VAL 115 5.335 0.990 4.579 884 1HG1 VAL 115 1HG1 VAL 115 7.456 1.273 5.548 885 2HG1 VAL 115 2HG1 VAL 115 7.747 0.542 3.982 886 3HG1 VAL 115 3HG1 VAL 115 7.837 -0.436 5.440 887 1HG2 VAL 115 1HG2 VAL 115 5.064 -0.461 2.925 888 2HG2 VAL 115 2HG2 VAL 115 5.013 -1.754 4.122 889 3HG2 VAL 115 3HG2 VAL 115 6.545 -1.310 3.370 890 H GLU 116 H GLU 116 7.375 -0.303 7.571 891 HA GLU 116 HA GLU 116 8.357 -2.927 7.176 892 1HB GLU 116 2HB GLU 116 9.031 -0.758 9.156 893 2HB GLU 116 1HB GLU 116 9.836 -2.322 9.179 894 1HG GLU 116 2HG GLU 116 10.573 -1.963 6.866 895 2HG GLU 116 1HG GLU 116 9.801 -0.377 6.882 896 H ARG 117 H ARG 117 6.545 -1.410 9.807 897 HA ARG 117 HA ARG 117 6.567 -3.592 11.569 898 1HB ARG 117 2HB ARG 117 4.528 -1.389 11.222 899 2HB ARG 117 1HB ARG 117 4.553 -2.514 12.575 900 1HG ARG 117 2HG ARG 117 6.673 -1.678 13.314 901 2HG ARG 117 1HG ARG 117 6.826 -0.671 11.872 902 1HD ARG 117 2HD ARG 117 5.657 0.968 12.811 903 2HD ARG 117 1HD ARG 117 4.346 -0.130 13.239 904 HE ARG 117 HE ARG 117 5.996 -0.717 15.174 905 1HH1 ARG 117 1HH1 ARG 117 5.346 2.453 13.850 906 2HH1 ARG 117 2HH1 ARG 117 5.719 3.278 15.324 907 1HH2 ARG 117 1HH2 ARG 117 6.485 0.374 17.110 908 2HH2 ARG 117 2HH2 ARG 117 6.366 2.101 17.174 909 H ALA 118 H ALA 118 4.828 -3.001 8.667 910 HA ALA 118 HA ALA 118 2.678 -4.801 9.117 911 1HB ALA 118 1HB ALA 118 3.391 -2.930 7.149 912 2HB ALA 118 2HB ALA 118 1.893 -3.853 7.267 913 3HB ALA 118 3HB ALA 118 3.246 -4.484 6.327 914 H ILE 119 H ILE 119 5.722 -5.034 7.300 915 HA ILE 119 HA ILE 119 5.344 -7.726 6.507 916 HB ILE 119 HB ILE 119 7.981 -6.291 6.766 917 1HG1 ILE 119 2HG1 ILE 119 6.616 -6.363 4.143 918 2HG1 ILE 119 1HG1 ILE 119 5.907 -5.286 5.342 919 1HG2 ILE 119 1HG2 ILE 119 8.276 -8.619 6.346 920 2HG2 ILE 119 2HG2 ILE 119 8.582 -7.756 4.838 921 3HG2 ILE 119 3HG2 ILE 119 7.052 -8.602 5.075 922 1HD1 ILE 119 1HD1 ILE 119 7.628 -4.274 3.809 923 2HD1 ILE 119 2HD1 ILE 119 8.824 -5.252 4.656 924 3HD1 ILE 119 3HD1 ILE 119 7.893 -4.038 5.535 925 H SER 120 H SER 120 6.748 -6.189 9.282 926 HA SER 120 HA SER 120 8.121 -8.463 10.286 927 1HB SER 120 2HB SER 120 8.738 -6.171 10.935 928 2HB SER 120 1HB SER 120 7.182 -5.983 11.745 929 HG SER 120 HG SER 120 7.907 -7.093 13.381 930 H HIS 121 H HIS 121 5.048 -6.907 11.185 931 HA HIS 121 HA HIS 121 4.326 -8.725 13.185 932 1HB HIS 121 2HB HIS 121 2.878 -6.733 11.518 933 2HB HIS 121 1HB HIS 121 1.912 -7.932 12.372 934 HD1 HIS 121 1HD HIS 121 5.040 -6.325 13.750 935 HD2 HIS 121 2HD HIS 121 0.928 -6.293 14.345 936 HE1 HIS 121 1HE HIS 121 4.677 -5.000 15.854 937 HE2 HIS 121 2HE HIS 121 2.176 -4.914 16.143 938 H TYR 122 H TYR 122 4.249 -9.001 9.757 939 HA TYR 122 HA TYR 122 2.259 -10.989 9.518 940 1HB TYR 122 2HB TYR 122 3.223 -9.567 7.652 941 2HB TYR 122 1HB TYR 122 4.623 -10.636 7.677 942 HD1 TYR 122 1HD TYR 122 4.592 -11.988 5.806 943 HD2 TYR 122 2HD TYR 122 0.942 -11.273 7.874 944 HE1 TYR 122 1HE TYR 122 3.432 -13.537 4.288 945 HE2 TYR 122 2HE TYR 122 -0.225 -12.821 6.361 946 HH TYR 122 HH TYR 122 1.220 -15.030 4.520 947 H GLN 123 H GLN 123 5.785 -11.168 9.840 948 HA GLN 123 HA GLN 123 5.850 -14.018 9.734 949 1HB GLN 123 2HB GLN 123 7.722 -12.129 9.337 950 2HB GLN 123 1HB GLN 123 8.090 -12.549 11.004 951 1HG GLN 123 2HG GLN 123 7.767 -14.980 9.649 952 2HG GLN 123 1HG GLN 123 8.730 -13.950 8.591 953 1HE2 GLN 123 1HE2 GLN 123 10.564 -12.814 9.687 954 2HE2 GLN 123 2HE2 GLN 123 11.467 -13.715 10.854 955 H GLU 124 H GLU 124 6.964 -15.241 11.580 956 HA GLU 124 HA GLU 124 5.410 -14.763 13.990 957 1HB GLU 124 2HB GLU 124 6.175 -16.988 14.674 958 2HB GLU 124 1HB GLU 124 5.482 -17.026 13.059 959 1HG GLU 124 2HG GLU 124 7.662 -17.119 12.063 960 2HG GLU 124 1HG GLU 124 8.431 -16.894 13.632 Start of MODEL 12 1 1H MET 1 1HT MET 1 6.752 -13.067 -0.582 2 2H MET 1 2HT MET 1 6.501 -14.217 -1.829 3 3H MET 1 3HT MET 1 8.092 -13.859 -1.299 4 HA MET 1 HA MET 1 6.129 -14.852 0.610 5 1HB MET 1 2HB MET 1 7.694 -16.497 -1.392 6 2HB MET 1 1HB MET 1 6.899 -17.163 0.026 7 1HG MET 1 2HG MET 1 4.766 -16.730 -0.819 8 2HG MET 1 1HG MET 1 5.375 -15.602 -2.028 9 1HE MET 1 1HE MET 1 6.201 -16.036 -4.136 10 2HE MET 1 2HE MET 1 4.581 -16.655 -4.453 11 3HE MET 1 3HE MET 1 5.990 -17.533 -5.044 12 H GLN 2 H GLN 2 7.490 -13.554 2.008 13 HA GLN 2 HA GLN 2 9.040 -13.511 3.694 14 1HB GLN 2 2HB GLN 2 9.013 -16.033 3.518 15 2HB GLN 2 1HB GLN 2 10.387 -15.891 2.430 16 1HG GLN 2 2HG GLN 2 11.648 -16.042 4.246 17 2HG GLN 2 1HG GLN 2 11.165 -14.376 4.571 18 1HE2 GLN 2 1HE2 GLN 2 11.785 -16.826 6.268 19 2HE2 GLN 2 2HE2 GLN 2 10.464 -16.899 7.380 20 H ARG 3 H ARG 3 9.847 -13.630 0.374 21 HA ARG 3 HA ARG 3 12.552 -12.890 0.459 22 1HB ARG 3 2HB ARG 3 11.561 -13.777 -1.545 23 2HB ARG 3 1HB ARG 3 10.389 -12.476 -1.602 24 1HG ARG 3 2HG ARG 3 11.834 -11.746 -3.176 25 2HG ARG 3 1HG ARG 3 12.578 -11.000 -1.762 26 1HD ARG 3 2HD ARG 3 13.890 -13.248 -1.615 27 2HD ARG 3 1HD ARG 3 13.432 -13.411 -3.307 28 HE ARG 3 HE ARG 3 14.744 -11.522 -3.821 29 1HH1 ARG 3 1HH1 ARG 3 14.946 -12.383 -0.435 30 2HH1 ARG 3 2HH1 ARG 3 16.425 -11.524 -0.185 31 1HH2 ARG 3 1HH2 ARG 3 16.679 -10.401 -3.485 32 2HH2 ARG 3 2HH2 ARG 3 17.410 -10.396 -1.914 33 H GLY 4 H GLY 4 9.811 -11.196 1.440 34 1HA GLY 4 2HA GLY 4 9.558 -9.046 2.208 35 2HA GLY 4 1HA GLY 4 11.293 -8.851 2.023 36 H ILE 5 H ILE 5 8.418 -9.168 -0.071 37 HA ILE 5 HA ILE 5 9.614 -7.177 -1.868 38 HB ILE 5 HB ILE 5 7.185 -8.892 -2.411 39 1HG1 ILE 5 2HG1 ILE 5 9.117 -9.908 -4.020 40 2HG1 ILE 5 1HG1 ILE 5 10.079 -9.479 -2.609 41 1HG2 ILE 5 1HG2 ILE 5 8.107 -6.643 -3.711 42 2HG2 ILE 5 2HG2 ILE 5 7.032 -7.867 -4.386 43 3HG2 ILE 5 3HG2 ILE 5 8.769 -7.968 -4.668 44 1HD1 ILE 5 1HD1 ILE 5 8.974 -10.984 -1.247 45 2HD1 ILE 5 2HD1 ILE 5 9.079 -11.840 -2.786 46 3HD1 ILE 5 3HD1 ILE 5 7.567 -11.067 -2.309 47 H VAL 6 H VAL 6 9.003 -5.138 -1.561 48 HA VAL 6 HA VAL 6 6.316 -4.602 -0.482 49 HB VAL 6 HB VAL 6 8.078 -3.627 0.884 50 1HG1 VAL 6 1HG1 VAL 6 9.820 -2.364 0.125 51 2HG1 VAL 6 2HG1 VAL 6 8.938 -1.783 -1.283 52 3HG1 VAL 6 3HG1 VAL 6 9.592 -3.418 -1.261 53 1HG2 VAL 6 1HG2 VAL 6 6.979 -1.685 1.238 54 2HG2 VAL 6 2HG2 VAL 6 5.874 -2.321 0.018 55 3HG2 VAL 6 3HG2 VAL 6 7.131 -1.172 -0.442 56 H TRP 7 H TRP 7 4.828 -3.731 -1.755 57 HA TRP 7 HA TRP 7 5.719 -2.489 -4.272 58 1HB TRP 7 2HB TRP 7 3.429 -4.328 -3.676 59 2HB TRP 7 1HB TRP 7 3.290 -3.172 -4.998 60 HD1 TRP 7 HD1 TRP 7 6.771 -4.455 -4.569 61 HE1 TRP 7 1HE TRP 7 7.326 -6.144 -6.421 62 HE3 TRP 7 3HE TRP 7 2.067 -5.184 -6.454 63 HZ2 TRP 7 2HZ TRP 7 5.968 -7.592 -8.409 64 HZ3 TRP 7 3HZ TRP 7 1.790 -6.750 -8.334 65 HH2 TRP 7 HH2 TRP 7 3.705 -7.932 -9.284 66 H VAL 8 H VAL 8 5.222 -0.442 -4.567 67 HA VAL 8 HA VAL 8 3.226 0.796 -2.785 68 HB VAL 8 HB VAL 8 5.110 2.556 -4.222 69 1HG1 VAL 8 1HG1 VAL 8 4.443 2.467 -1.296 70 2HG1 VAL 8 2HG1 VAL 8 3.397 3.228 -2.495 71 3HG1 VAL 8 3HG1 VAL 8 5.035 3.830 -2.243 72 1HG2 VAL 8 1HG2 VAL 8 6.683 1.954 -2.089 73 2HG2 VAL 8 2HG2 VAL 8 6.935 1.355 -3.730 74 3HG2 VAL 8 3HG2 VAL 8 6.087 0.358 -2.544 75 H VAL 9 H VAL 9 1.757 2.312 -3.642 76 HA VAL 9 HA VAL 9 1.690 2.509 -6.571 77 HB VAL 9 HB VAL 9 -0.970 2.508 -5.331 78 1HG1 VAL 9 1HG1 VAL 9 -1.495 2.117 -7.433 79 2HG1 VAL 9 2HG1 VAL 9 -0.599 0.616 -7.465 80 3HG1 VAL 9 3HG1 VAL 9 0.198 2.141 -7.855 81 1HG2 VAL 9 1HG2 VAL 9 -0.008 0.746 -3.971 82 2HG2 VAL 9 2HG2 VAL 9 0.621 -0.055 -5.408 83 3HG2 VAL 9 3HG2 VAL 9 -1.120 0.060 -5.149 84 H ASP 10 H ASP 10 1.951 4.564 -7.063 85 HA ASP 10 HA ASP 10 0.249 6.605 -5.968 86 1HB ASP 10 2HB ASP 10 2.345 6.196 -4.392 87 2HB ASP 10 1HB ASP 10 3.153 7.195 -5.597 88 H ASP 11 H ASP 11 1.987 8.778 -6.686 89 HA ASP 11 HA ASP 11 1.408 8.970 -9.436 90 1HB ASP 11 2HB ASP 11 1.592 10.865 -7.744 91 2HB ASP 11 1HB ASP 11 3.339 10.731 -7.929 92 H ASP 12 H ASP 12 3.777 7.147 -8.067 93 HA ASP 12 HA ASP 12 5.631 6.120 -8.884 94 1HB ASP 12 2HB ASP 12 4.054 6.765 -11.156 95 2HB ASP 12 1HB ASP 12 5.727 7.108 -11.578 96 H SER 13 H SER 13 7.460 7.056 -10.886 97 HA SER 13 HA SER 13 9.480 8.118 -10.727 98 1HB SER 13 2HB SER 13 7.714 9.412 -12.121 99 2HB SER 13 1HB SER 13 7.874 10.629 -10.859 100 HG SER 13 HG SER 13 9.384 10.474 -12.890 101 H SER 14 H SER 14 7.886 10.847 -9.235 102 HA SER 14 HA SER 14 9.880 11.340 -7.387 103 1HB SER 14 2HB SER 14 7.104 12.248 -7.779 104 2HB SER 14 1HB SER 14 7.711 12.402 -6.130 105 HG SER 14 HG SER 14 8.500 14.195 -6.938 106 H ILE 15 H ILE 15 6.711 9.841 -6.716 107 HA ILE 15 HA ILE 15 7.356 9.128 -4.067 108 HB ILE 15 HB ILE 15 5.327 7.734 -5.803 109 1HG1 ILE 15 2HG1 ILE 15 5.038 10.187 -5.925 110 2HG1 ILE 15 1HG1 ILE 15 3.708 9.407 -5.080 111 1HG2 ILE 15 1HG2 ILE 15 4.214 7.207 -3.758 112 2HG2 ILE 15 2HG2 ILE 15 5.315 8.228 -2.832 113 3HG2 ILE 15 3HG2 ILE 15 5.907 6.746 -3.581 114 1HD1 ILE 15 1HD1 ILE 15 5.055 9.989 -2.947 115 2HD1 ILE 15 2HD1 ILE 15 4.134 11.250 -3.768 116 3HD1 ILE 15 3HD1 ILE 15 5.879 11.141 -3.999 117 H ARG 16 H ARG 16 8.038 7.680 -7.116 118 HA ARG 16 HA ARG 16 8.504 5.032 -6.189 119 1HB ARG 16 2HB ARG 16 8.046 5.551 -8.557 120 2HB ARG 16 1HB ARG 16 9.578 6.407 -8.655 121 1HG ARG 16 2HG ARG 16 10.454 4.035 -7.768 122 2HG ARG 16 1HG ARG 16 9.021 3.512 -8.647 123 1HD ARG 16 2HD ARG 16 11.101 5.331 -9.836 124 2HD ARG 16 1HD ARG 16 11.171 3.577 -9.975 125 HE ARG 16 HE ARG 16 9.241 5.363 -11.249 126 1HH1 ARG 16 1HH1 ARG 16 10.361 2.094 -10.698 127 2HH1 ARG 16 2HH1 ARG 16 9.451 1.435 -12.015 128 1HH2 ARG 16 1HH2 ARG 16 8.043 4.486 -12.968 129 2HH2 ARG 16 2HH2 ARG 16 8.135 2.789 -13.301 130 H TRP 17 H TRP 17 10.777 7.581 -7.201 131 HA TRP 17 HA TRP 17 13.112 6.300 -6.478 132 1HB TRP 17 2HB TRP 17 13.025 8.378 -7.800 133 2HB TRP 17 1HB TRP 17 12.597 9.271 -6.344 134 HD1 TRP 17 HD1 TRP 17 15.523 7.140 -7.715 135 HE1 TRP 17 1HE TRP 17 17.701 7.985 -6.640 136 HE3 TRP 17 3HE TRP 17 13.562 10.627 -4.525 137 HZ2 TRP 17 2HZ TRP 17 18.489 9.876 -4.699 138 HZ3 TRP 17 3HZ TRP 17 15.100 11.909 -3.093 139 HH2 TRP 17 HH2 TRP 17 17.513 11.539 -3.180 140 H VAL 18 H VAL 18 10.945 8.200 -4.448 141 HA VAL 18 HA VAL 18 12.676 8.357 -2.235 142 HB VAL 18 HB VAL 18 9.680 8.433 -2.048 143 1HG1 VAL 18 1HG1 VAL 18 10.100 8.918 0.073 144 2HG1 VAL 18 2HG1 VAL 18 10.925 10.380 -0.445 145 3HG1 VAL 18 3HG1 VAL 18 11.835 8.886 -0.215 146 1HG2 VAL 18 1HG2 VAL 18 11.156 10.965 -2.381 147 2HG2 VAL 18 2HG2 VAL 18 9.560 10.494 -2.961 148 3HG2 VAL 18 3HG2 VAL 18 11.001 9.967 -3.825 149 H LEU 19 H LEU 19 10.030 6.124 -2.923 150 HA LEU 19 HA LEU 19 10.542 4.659 -0.511 151 1HB LEU 19 2HB LEU 19 8.332 5.000 -2.137 152 2HB LEU 19 1HB LEU 19 8.780 3.326 -2.381 153 HG LEU 19 HG LEU 19 7.131 3.498 -0.610 154 1HD1 LEU 19 1HD1 LEU 19 9.402 2.046 -0.474 155 2HD1 LEU 19 2HD1 LEU 19 8.099 1.947 0.708 156 3HD1 LEU 19 3HD1 LEU 19 9.512 2.952 1.031 157 1HD2 LEU 19 1HD2 LEU 19 7.122 5.127 0.901 158 2HD2 LEU 19 2HD2 LEU 19 8.464 5.844 0.013 159 3HD2 LEU 19 3HD2 LEU 19 8.784 4.782 1.382 160 H GLU 20 H GLU 20 11.396 4.326 -3.859 161 HA GLU 20 HA GLU 20 11.980 1.567 -3.793 162 1HB GLU 20 2HB GLU 20 13.091 1.847 -5.880 163 2HB GLU 20 1HB GLU 20 11.666 2.866 -5.886 164 1HG GLU 20 2HG GLU 20 13.129 4.797 -5.357 165 2HG GLU 20 1HG GLU 20 14.519 3.728 -5.528 166 H ARG 21 H ARG 21 14.243 4.307 -3.752 167 HA ARG 21 HA ARG 21 16.489 2.724 -3.120 168 1HB ARG 21 2HB ARG 21 16.039 5.692 -2.793 169 2HB ARG 21 1HB ARG 21 17.597 4.896 -2.617 170 1HG ARG 21 2HG ARG 21 16.322 4.209 -5.121 171 2HG ARG 21 1HG ARG 21 16.523 5.953 -4.940 172 1HD ARG 21 2HD ARG 21 18.780 4.075 -4.354 173 2HD ARG 21 1HD ARG 21 18.425 4.567 -6.007 174 HE ARG 21 HE ARG 21 18.795 6.875 -5.281 175 1HH1 ARG 21 1HH1 ARG 21 20.058 4.321 -3.249 176 2HH1 ARG 21 2HH1 ARG 21 21.271 5.329 -2.538 177 1HH2 ARG 21 1HH2 ARG 21 20.386 8.188 -4.340 178 2HH2 ARG 21 2HH2 ARG 21 21.458 7.520 -3.153 179 H ALA 22 H ALA 22 14.442 4.805 -1.075 180 HA ALA 22 HA ALA 22 15.838 4.450 1.305 181 1HB ALA 22 1HB ALA 22 13.873 6.037 0.734 182 2HB ALA 22 2HB ALA 22 14.051 5.444 2.385 183 3HB ALA 22 3HB ALA 22 12.865 4.709 1.308 184 H LEU 23 H LEU 23 12.991 2.686 0.185 185 HA LEU 23 HA LEU 23 13.072 0.823 2.316 186 1HB LEU 23 2HB LEU 23 11.122 1.433 0.700 187 2HB LEU 23 1HB LEU 23 11.819 0.201 -0.333 188 HG LEU 23 HG LEU 23 11.176 -1.522 1.044 189 1HD1 LEU 23 1HD1 LEU 23 10.493 -1.063 3.488 190 2HD1 LEU 23 2HD1 LEU 23 11.387 0.445 3.291 191 3HD1 LEU 23 3HD1 LEU 23 12.207 -1.098 3.082 192 1HD2 LEU 23 1HD2 LEU 23 9.211 -0.154 0.241 193 2HD2 LEU 23 2HD2 LEU 23 9.110 0.486 1.883 194 3HD2 LEU 23 3HD2 LEU 23 8.907 -1.244 1.595 195 H ALA 24 H ALA 24 14.751 1.094 -0.670 196 HA ALA 24 HA ALA 24 15.492 -1.634 -0.949 197 1HB ALA 24 1HB ALA 24 15.865 -0.574 -2.935 198 2HB ALA 24 2HB ALA 24 17.479 -0.405 -2.243 199 3HB ALA 24 3HB ALA 24 16.340 0.938 -2.163 200 H GLY 25 H GLY 25 16.780 1.173 0.727 201 1HA GLY 25 2HA GLY 25 19.270 0.066 1.483 202 2HA GLY 25 1HA GLY 25 18.428 1.367 2.317 203 H ALA 26 H ALA 26 16.026 -0.396 2.640 204 HA ALA 26 HA ALA 26 16.784 -1.515 5.155 205 1HB ALA 26 1HB ALA 26 14.327 -2.328 5.070 206 2HB ALA 26 2HB ALA 26 14.210 -1.279 3.657 207 3HB ALA 26 3HB ALA 26 14.660 -0.603 5.223 208 H GLY 27 H GLY 27 16.698 -2.669 1.946 209 1HA GLY 27 2HA GLY 27 17.709 -4.746 1.387 210 2HA GLY 27 1HA GLY 27 17.231 -5.367 2.954 211 H LEU 28 H LEU 28 14.892 -3.684 0.920 212 HA LEU 28 HA LEU 28 13.739 -6.290 0.251 213 1HB LEU 28 2HB LEU 28 11.811 -4.109 0.639 214 2HB LEU 28 1HB LEU 28 11.692 -5.801 1.065 215 HG LEU 28 HG LEU 28 13.468 -5.042 2.913 216 1HD1 LEU 28 1HD1 LEU 28 12.177 -2.598 1.946 217 2HD1 LEU 28 2HD1 LEU 28 13.777 -2.845 2.638 218 3HD1 LEU 28 3HD1 LEU 28 12.361 -2.788 3.689 219 1HD2 LEU 28 1HD2 LEU 28 10.799 -5.761 2.852 220 2HD2 LEU 28 2HD2 LEU 28 10.816 -4.252 3.767 221 3HD2 LEU 28 3HD2 LEU 28 11.810 -5.611 4.289 222 H THR 29 H THR 29 11.956 -6.067 -1.452 223 HA THR 29 HA THR 29 13.047 -4.471 -3.654 224 HB THR 29 HB THR 29 11.055 -6.748 -3.600 225 HG1 THR 29 1HG THR 29 13.695 -6.711 -3.658 226 1HG2 THR 29 1HG2 THR 29 10.313 -6.011 -5.560 227 2HG2 THR 29 2HG2 THR 29 11.875 -6.525 -6.199 228 3HG2 THR 29 3HG2 THR 29 11.626 -4.845 -5.726 229 H CYS 30 H CYS 30 12.233 -2.457 -3.675 230 HA CYS 30 HA CYS 30 9.361 -2.115 -3.185 231 1HB CYS 30 2HB CYS 30 10.751 -0.810 -1.700 232 2HB CYS 30 1HB CYS 30 11.613 -0.115 -3.067 233 HG CYS 30 HG CYS 30 9.012 0.829 -3.617 234 H THR 31 H THR 31 8.157 -2.034 -4.915 235 HA THR 31 HA THR 31 9.171 -0.627 -7.300 236 HB THR 31 HB THR 31 8.655 -3.180 -7.448 237 HG1 THR 31 1HG THR 31 8.923 -2.161 -9.353 238 1HG2 THR 31 1HG2 THR 31 6.410 -2.869 -6.299 239 2HG2 THR 31 2HG2 THR 31 6.445 -3.860 -7.759 240 3HG2 THR 31 3HG2 THR 31 5.867 -2.197 -7.832 241 H THR 32 H THR 32 7.508 0.609 -8.474 242 HA THR 32 HA THR 32 5.240 1.323 -6.766 243 HB THR 32 HB THR 32 5.530 3.642 -7.266 244 HG1 THR 32 1HG THR 32 6.470 4.133 -9.062 245 1HG2 THR 32 1HG2 THR 32 7.341 2.179 -5.764 246 2HG2 THR 32 2HG2 THR 32 7.088 3.926 -5.722 247 3HG2 THR 32 3HG2 THR 32 8.341 3.242 -6.760 248 H PHE 33 H PHE 33 3.442 2.297 -7.837 249 HA PHE 33 HA PHE 33 3.228 1.541 -10.663 250 1HB PHE 33 2HB PHE 33 1.203 1.070 -8.495 251 2HB PHE 33 1HB PHE 33 0.942 0.748 -10.195 252 HD1 PHE 33 1HD PHE 33 1.437 -1.414 -11.010 253 HD2 PHE 33 2HD PHE 33 3.232 -0.047 -7.416 254 HE1 PHE 33 1HE PHE 33 2.401 -3.638 -10.643 255 HE2 PHE 33 2HE PHE 33 4.206 -2.260 -7.043 256 HZ PHE 33 HZ PHE 33 3.777 -4.082 -8.663 257 H GLU 34 H GLU 34 1.079 2.463 -11.596 258 HA GLU 34 HA GLU 34 1.378 5.238 -11.657 259 1HB GLU 34 2HB GLU 34 -0.499 5.268 -13.154 260 2HB GLU 34 1HB GLU 34 0.487 3.855 -13.503 261 1HG GLU 34 2HG GLU 34 -1.354 2.910 -11.688 262 2HG GLU 34 1HG GLU 34 -2.285 4.039 -12.667 263 H ASN 35 H ASN 35 -1.026 3.300 -9.835 264 HA ASN 35 HA ASN 35 -1.422 5.379 -7.984 265 1HB ASN 35 2HB ASN 35 -3.789 5.955 -8.528 266 2HB ASN 35 1HB ASN 35 -2.613 6.550 -9.698 267 1HD2 ASN 35 1HD2 ASN 35 -3.097 6.233 -11.734 268 2HD2 ASN 35 2HD2 ASN 35 -4.149 5.012 -12.357 269 H GLY 36 H GLY 36 -2.925 2.595 -9.503 270 1HA GLY 36 2HA GLY 36 -3.052 1.123 -7.102 271 2HA GLY 36 1HA GLY 36 -4.620 1.859 -7.388 272 H ASN 37 H ASN 37 -4.867 1.671 -10.108 273 HA ASN 37 HA ASN 37 -5.726 -0.968 -10.413 274 1HB ASN 37 2HB ASN 37 -5.956 1.433 -11.860 275 2HB ASN 37 1HB ASN 37 -5.304 0.241 -12.979 276 1HD2 ASN 37 1HD2 ASN 37 -7.570 -0.063 -10.276 277 2HD2 ASN 37 2HD2 ASN 37 -8.861 -0.742 -11.202 278 H GLU 38 H GLU 38 -2.678 0.548 -11.181 279 HA GLU 38 HA GLU 38 -1.694 -1.335 -12.997 280 1HB GLU 38 2HB GLU 38 -0.727 0.968 -11.924 281 2HB GLU 38 1HB GLU 38 0.272 -0.227 -11.128 282 1HG GLU 38 2HG GLU 38 0.715 -1.181 -13.439 283 2HG GLU 38 1HG GLU 38 0.013 0.311 -14.058 284 H VAL 39 H VAL 39 -1.259 -1.237 -9.412 285 HA VAL 39 HA VAL 39 0.301 -3.517 -9.184 286 HB VAL 39 HB VAL 39 -1.888 -2.814 -7.238 287 1HG1 VAL 39 1HG1 VAL 39 0.754 -3.800 -6.375 288 2HG1 VAL 39 2HG1 VAL 39 -0.277 -4.958 -7.212 289 3HG1 VAL 39 3HG1 VAL 39 -0.855 -4.165 -5.749 290 1HG2 VAL 39 1HG2 VAL 39 -0.815 -0.980 -6.623 291 2HG2 VAL 39 2HG2 VAL 39 0.136 -1.122 -8.097 292 3HG2 VAL 39 3HG2 VAL 39 0.741 -1.802 -6.586 293 H LEU 40 H LEU 40 -3.214 -3.294 -9.436 294 HA LEU 40 HA LEU 40 -3.885 -5.938 -8.905 295 1HB LEU 40 2HB LEU 40 -5.281 -4.465 -11.100 296 2HB LEU 40 1HB LEU 40 -5.952 -5.530 -9.881 297 HG LEU 40 HG LEU 40 -4.910 -2.754 -9.323 298 1HD1 LEU 40 1HD1 LEU 40 -7.412 -2.348 -9.003 299 2HD1 LEU 40 2HD1 LEU 40 -7.635 -3.798 -9.974 300 3HD1 LEU 40 3HD1 LEU 40 -6.789 -2.409 -10.649 301 1HD2 LEU 40 1HD2 LEU 40 -5.625 -4.952 -7.623 302 2HD2 LEU 40 2HD2 LEU 40 -6.761 -3.621 -7.392 303 3HD2 LEU 40 3HD2 LEU 40 -5.029 -3.351 -7.186 304 H ALA 41 H ALA 41 -2.989 -4.457 -12.008 305 HA ALA 41 HA ALA 41 -3.273 -6.786 -13.561 306 1HB ALA 41 1HB ALA 41 -3.136 -4.408 -14.392 307 2HB ALA 41 2HB ALA 41 -2.214 -5.600 -15.306 308 3HB ALA 41 3HB ALA 41 -1.391 -4.531 -14.170 309 H ALA 42 H ALA 42 -0.427 -5.308 -12.109 310 HA ALA 42 HA ALA 42 1.402 -7.289 -12.964 311 1HB ALA 42 1HB ALA 42 1.500 -4.870 -11.474 312 2HB ALA 42 2HB ALA 42 2.831 -5.760 -12.209 313 3HB ALA 42 3HB ALA 42 2.341 -6.116 -10.552 314 H LEU 43 H LEU 43 -0.698 -6.919 -10.228 315 HA LEU 43 HA LEU 43 0.356 -8.863 -8.528 316 1HB LEU 43 2HB LEU 43 -2.220 -7.454 -8.849 317 2HB LEU 43 1HB LEU 43 -2.274 -8.957 -7.963 318 HG LEU 43 HG LEU 43 -0.421 -6.707 -7.257 319 1HD1 LEU 43 1HD1 LEU 43 -3.144 -6.578 -7.069 320 2HD1 LEU 43 2HD1 LEU 43 -2.017 -5.712 -6.028 321 3HD1 LEU 43 3HD1 LEU 43 -2.702 -7.248 -5.500 322 1HD2 LEU 43 1HD2 LEU 43 -0.958 -9.414 -6.250 323 2HD2 LEU 43 2HD2 LEU 43 -0.850 -8.158 -5.013 324 3HD2 LEU 43 3HD2 LEU 43 0.497 -8.425 -6.121 325 H ALA 44 H ALA 44 -1.501 -9.134 -11.417 326 HA ALA 44 HA ALA 44 -2.661 -11.654 -11.043 327 1HB ALA 44 1HB ALA 44 -1.723 -10.821 -13.746 328 2HB ALA 44 2HB ALA 44 -2.966 -9.870 -12.932 329 3HB ALA 44 3HB ALA 44 -3.240 -11.580 -13.263 330 H SER 45 H SER 45 0.621 -10.810 -11.475 331 HA SER 45 HA SER 45 1.270 -13.611 -11.970 332 1HB SER 45 2HB SER 45 2.367 -11.148 -13.236 333 2HB SER 45 1HB SER 45 3.451 -12.518 -12.990 334 HG SER 45 HG SER 45 1.082 -12.393 -14.522 335 H LYS 46 H LYS 46 1.390 -11.239 -9.695 336 HA LYS 46 HA LYS 46 3.327 -12.671 -8.164 337 1HB LYS 46 2HB LYS 46 4.424 -10.767 -9.762 338 2HB LYS 46 1HB LYS 46 4.102 -9.832 -8.308 339 1HG LYS 46 2HG LYS 46 5.255 -12.138 -7.336 340 2HG LYS 46 1HG LYS 46 6.145 -11.829 -8.829 341 1HD LYS 46 2HD LYS 46 6.015 -9.338 -7.747 342 2HD LYS 46 1HD LYS 46 6.120 -10.339 -6.299 343 1HE LYS 46 2HE LYS 46 8.282 -10.740 -6.646 344 2HE LYS 46 1HE LYS 46 7.982 -11.238 -8.312 345 1HZ LYS 46 1HZ LYS 46 7.721 -8.560 -8.450 346 2HZ LYS 46 2HZ LYS 46 9.135 -9.409 -8.820 347 3HZ LYS 46 3HZ LYS 46 8.942 -8.720 -7.288 348 H THR 47 H THR 47 3.548 -11.786 -5.954 349 HA THR 47 HA THR 47 1.372 -10.024 -5.173 350 HB THR 47 HB THR 47 1.945 -12.683 -3.867 351 HG1 THR 47 1HG THR 47 0.817 -12.823 -5.874 352 1HG2 THR 47 1HG2 THR 47 -0.244 -10.708 -3.289 353 2HG2 THR 47 2HG2 THR 47 1.147 -11.036 -2.255 354 3HG2 THR 47 3HG2 THR 47 -0.049 -12.296 -2.553 355 HA PRO 48 HA PRO 48 4.916 -8.516 -2.848 356 1HB PRO 48 2HB PRO 48 3.812 -6.210 -1.996 357 2HB PRO 48 1HB PRO 48 4.376 -6.425 -3.656 358 1HG PRO 48 2HG PRO 48 1.593 -6.579 -2.566 359 2HG PRO 48 1HG PRO 48 2.169 -5.815 -4.059 360 1HD PRO 48 2HD PRO 48 0.988 -8.274 -3.985 361 2HD PRO 48 1HD PRO 48 2.172 -7.795 -5.216 362 H ASP 49 H ASP 49 5.462 -8.445 -0.670 363 HA ASP 49 HA ASP 49 3.677 -9.800 1.103 364 1HB ASP 49 2HB ASP 49 6.330 -8.471 1.699 365 2HB ASP 49 1HB ASP 49 5.476 -9.589 2.759 366 H VAL 50 H VAL 50 4.435 -6.488 0.439 367 HA VAL 50 HA VAL 50 2.421 -5.650 2.369 368 HB VAL 50 HB VAL 50 4.477 -5.470 3.648 369 1HG1 VAL 50 1HG1 VAL 50 6.440 -4.710 2.867 370 2HG1 VAL 50 2HG1 VAL 50 5.689 -3.388 1.971 371 3HG1 VAL 50 3HG1 VAL 50 5.717 -5.013 1.286 372 1HG2 VAL 50 1HG2 VAL 50 2.910 -3.132 2.860 373 2HG2 VAL 50 2HG2 VAL 50 4.461 -2.749 3.591 374 3HG2 VAL 50 3HG2 VAL 50 3.301 -3.745 4.463 375 H LEU 51 H LEU 51 1.039 -4.822 0.871 376 HA LEU 51 HA LEU 51 2.015 -3.172 -1.312 377 1HB LEU 51 2HB LEU 51 0.159 -4.870 -1.539 378 2HB LEU 51 1HB LEU 51 -0.848 -3.795 -0.589 379 HG LEU 51 HG LEU 51 -0.723 -2.083 -2.309 380 1HD1 LEU 51 1HD1 LEU 51 1.505 -3.704 -3.221 381 2HD1 LEU 51 2HD1 LEU 51 1.117 -2.016 -3.560 382 3HD1 LEU 51 3HD1 LEU 51 0.389 -3.298 -4.520 383 1HD2 LEU 51 1HD2 LEU 51 -2.138 -3.075 -3.871 384 2HD2 LEU 51 2HD2 LEU 51 -2.332 -4.099 -2.448 385 3HD2 LEU 51 3HD2 LEU 51 -1.310 -4.631 -3.783 386 H LEU 52 H LEU 52 1.900 -0.995 -1.447 387 HA LEU 52 HA LEU 52 0.569 0.457 0.752 388 1HB LEU 52 2HB LEU 52 3.224 0.393 0.451 389 2HB LEU 52 1HB LEU 52 2.865 1.687 -0.674 390 HG LEU 52 HG LEU 52 2.128 1.661 2.252 391 1HD1 LEU 52 1HD1 LEU 52 4.355 2.092 2.370 392 2HD1 LEU 52 2HD1 LEU 52 3.779 3.724 2.027 393 3HD1 LEU 52 3HD1 LEU 52 4.435 2.728 0.728 394 1HD2 LEU 52 1HD2 LEU 52 0.492 2.907 1.024 395 2HD2 LEU 52 2HD2 LEU 52 1.745 3.737 0.100 396 3HD2 LEU 52 3HD2 LEU 52 1.568 4.051 1.826 397 H SER 53 H SER 53 -1.044 1.748 0.073 398 HA SER 53 HA SER 53 -0.921 2.749 -2.697 399 1HB SER 53 2HB SER 53 -3.117 1.399 -1.221 400 2HB SER 53 1HB SER 53 -3.557 2.689 -2.337 401 HG SER 53 HG SER 53 -1.916 0.476 -3.010 402 H ASP 54 H ASP 54 -0.988 4.847 -2.943 403 HA ASP 54 HA ASP 54 -1.458 6.569 -0.682 404 1HB ASP 54 2HB ASP 54 -0.465 6.964 -3.478 405 2HB ASP 54 1HB ASP 54 -0.978 8.354 -2.525 406 H ILE 55 H ILE 55 -3.509 6.961 -0.138 407 HA ILE 55 HA ILE 55 -5.682 6.966 -1.974 408 HB ILE 55 HB ILE 55 -6.012 6.409 0.381 409 1HG1 ILE 55 2HG1 ILE 55 -7.552 8.935 0.135 410 2HG1 ILE 55 1HG1 ILE 55 -7.753 7.724 -1.120 411 1HG2 ILE 55 1HG2 ILE 55 -5.894 8.021 2.130 412 2HG2 ILE 55 2HG2 ILE 55 -5.523 9.310 0.992 413 3HG2 ILE 55 3HG2 ILE 55 -4.361 8.023 1.277 414 1HD1 ILE 55 1HD1 ILE 55 -8.439 6.088 0.506 415 2HD1 ILE 55 2HD1 ILE 55 -9.423 7.542 0.671 416 3HD1 ILE 55 3HD1 ILE 55 -8.121 7.226 1.816 417 H ARG 56 H ARG 56 -6.106 8.502 -3.407 418 HA ARG 56 HA ARG 56 -6.131 11.272 -2.634 419 1HB ARG 56 2HB ARG 56 -3.743 10.374 -3.590 420 2HB ARG 56 1HB ARG 56 -4.514 10.940 -5.064 421 1HG ARG 56 2HG ARG 56 -4.355 12.633 -2.595 422 2HG ARG 56 1HG ARG 56 -3.068 12.597 -3.801 423 1HD ARG 56 2HD ARG 56 -5.784 12.995 -4.866 424 2HD ARG 56 1HD ARG 56 -5.178 14.300 -3.851 425 HE ARG 56 HE ARG 56 -3.576 14.789 -5.446 426 1HH1 ARG 56 1HH1 ARG 56 -5.349 11.917 -6.369 427 2HH1 ARG 56 2HH1 ARG 56 -4.664 11.860 -7.957 428 1HH2 ARG 56 1HH2 ARG 56 -2.696 14.715 -7.537 429 2HH2 ARG 56 2HH2 ARG 56 -3.158 13.445 -8.619 430 H MET 57 H MET 57 -8.325 10.091 -3.241 431 HA MET 57 HA MET 57 -10.117 9.897 -4.616 432 1HB MET 57 2HB MET 57 -10.685 11.909 -5.808 433 2HB MET 57 1HB MET 57 -9.933 12.321 -4.276 434 1HG MET 57 2HG MET 57 -7.900 12.927 -5.343 435 2HG MET 57 1HG MET 57 -8.446 12.272 -6.885 436 1HE MET 57 1HE MET 57 -11.294 14.572 -4.938 437 2HE MET 57 2HE MET 57 -10.157 15.905 -4.738 438 3HE MET 57 3HE MET 57 -9.783 14.317 -4.067 439 HA PRO 58 HA PRO 58 -7.626 8.499 -8.440 440 1HB PRO 58 2HB PRO 58 -7.524 5.837 -7.897 441 2HB PRO 58 1HB PRO 58 -6.254 6.965 -7.411 442 1HG PRO 58 2HG PRO 58 -8.492 5.818 -5.792 443 2HG PRO 58 1HG PRO 58 -6.801 6.085 -5.338 444 1HD PRO 58 2HD PRO 58 -8.816 7.748 -4.605 445 2HD PRO 58 1HD PRO 58 -7.154 8.296 -4.856 446 H GLY 59 H GLY 59 -9.517 5.764 -7.216 447 1HA GLY 59 2HA GLY 59 -11.403 6.169 -9.438 448 2HA GLY 59 1HA GLY 59 -11.044 4.622 -8.684 449 H MET 60 H MET 60 -11.149 5.924 -5.997 450 HA MET 60 HA MET 60 -13.822 6.874 -5.640 451 1HB MET 60 2HB MET 60 -14.108 4.362 -5.911 452 2HB MET 60 1HB MET 60 -13.209 4.187 -4.410 453 1HG MET 60 2HG MET 60 -14.989 4.644 -3.181 454 2HG MET 60 1HG MET 60 -15.348 6.094 -4.116 455 1HE MET 60 1HE MET 60 -17.830 2.528 -3.800 456 2HE MET 60 2HE MET 60 -17.866 4.060 -2.928 457 3HE MET 60 3HE MET 60 -16.436 3.033 -2.846 458 H ASP 61 H ASP 61 -12.212 8.447 -4.859 459 HA ASP 61 HA ASP 61 -11.387 9.666 -3.136 460 1HB ASP 61 2HB ASP 61 -13.243 7.907 -1.915 461 2HB ASP 61 1HB ASP 61 -11.829 7.986 -0.872 462 H GLY 62 H GLY 62 -10.550 6.310 -3.419 463 1HA GLY 62 2HA GLY 62 -8.003 6.177 -3.658 464 2HA GLY 62 1HA GLY 62 -8.018 6.760 -2.016 465 H LEU 63 H LEU 63 -10.496 5.220 -1.482 466 HA LEU 63 HA LEU 63 -9.193 2.804 -0.685 467 1HB LEU 63 2HB LEU 63 -12.100 3.545 -0.442 468 2HB LEU 63 1HB LEU 63 -11.273 2.260 0.418 469 HG LEU 63 HG LEU 63 -9.782 4.246 1.305 470 1HD1 LEU 63 1HD1 LEU 63 -11.417 6.188 1.728 471 2HD1 LEU 63 2HD1 LEU 63 -12.268 5.573 0.312 472 3HD1 LEU 63 3HD1 LEU 63 -10.591 6.096 0.176 473 1HD2 LEU 63 1HD2 LEU 63 -12.566 3.644 2.280 474 2HD2 LEU 63 2HD2 LEU 63 -11.304 4.433 3.229 475 3HD2 LEU 63 3HD2 LEU 63 -11.101 2.762 2.695 476 H ALA 64 H ALA 64 -10.862 3.875 -3.426 477 HA ALA 64 HA ALA 64 -12.289 1.660 -4.292 478 1HB ALA 64 1HB ALA 64 -12.556 2.912 -6.117 479 2HB ALA 64 2HB ALA 64 -10.825 2.895 -6.462 480 3HB ALA 64 3HB ALA 64 -11.492 4.096 -5.358 481 H LEU 65 H LEU 65 -8.829 2.365 -4.663 482 HA LEU 65 HA LEU 65 -8.134 0.183 -6.252 483 1HB LEU 65 2HB LEU 65 -5.851 0.494 -5.337 484 2HB LEU 65 1HB LEU 65 -6.588 1.972 -5.930 485 HG LEU 65 HG LEU 65 -7.291 2.134 -3.342 486 1HD1 LEU 65 1HD1 LEU 65 -5.175 1.536 -2.070 487 2HD1 LEU 65 2HD1 LEU 65 -4.774 0.507 -3.445 488 3HD1 LEU 65 3HD1 LEU 65 -6.243 0.209 -2.518 489 1HD2 LEU 65 1HD2 LEU 65 -6.300 4.022 -4.103 490 2HD2 LEU 65 2HD2 LEU 65 -5.027 3.145 -4.950 491 3HD2 LEU 65 3HD2 LEU 65 -4.928 3.379 -3.206 492 H LEU 66 H LEU 66 -8.678 0.411 -2.812 493 HA LEU 66 HA LEU 66 -7.487 -2.019 -2.043 494 1HB LEU 66 2HB LEU 66 -9.638 -0.301 -0.863 495 2HB LEU 66 1HB LEU 66 -9.247 -1.850 -0.146 496 HG LEU 66 HG LEU 66 -6.817 -0.970 -0.087 497 1HD1 LEU 66 1HD1 LEU 66 -7.817 1.742 0.262 498 2HD1 LEU 66 2HD1 LEU 66 -7.909 1.174 -1.400 499 3HD1 LEU 66 3HD1 LEU 66 -6.367 1.165 -0.550 500 1HD2 LEU 66 1HD2 LEU 66 -8.740 0.419 1.747 501 2HD2 LEU 66 2HD2 LEU 66 -7.130 -0.207 2.095 502 3HD2 LEU 66 3HD2 LEU 66 -8.459 -1.319 1.819 503 H LYS 67 H LYS 67 -10.782 -1.213 -3.030 504 HA LYS 67 HA LYS 67 -11.979 -3.697 -2.651 505 1HB LYS 67 2HB LYS 67 -13.023 -1.440 -3.321 506 2HB LYS 67 1HB LYS 67 -12.645 -1.902 -4.973 507 1HG LYS 67 2HG LYS 67 -14.137 -3.693 -4.942 508 2HG LYS 67 1HG LYS 67 -14.228 -3.702 -3.180 509 1HD LYS 67 2HD LYS 67 -15.192 -1.301 -3.493 510 2HD LYS 67 1HD LYS 67 -15.525 -1.850 -5.137 511 1HE LYS 67 2HE LYS 67 -17.006 -3.494 -4.421 512 2HE LYS 67 1HE LYS 67 -16.358 -3.498 -2.781 513 1HZ LYS 67 1HZ LYS 67 -18.609 -2.385 -3.207 514 2HZ LYS 67 2HZ LYS 67 -17.711 -1.107 -3.856 515 3HZ LYS 67 3HZ LYS 67 -17.485 -1.565 -2.244 516 H GLN 68 H GLN 68 -10.248 -2.433 -5.476 517 HA GLN 68 HA GLN 68 -10.647 -4.684 -7.122 518 1HB GLN 68 2HB GLN 68 -8.477 -2.580 -7.168 519 2HB GLN 68 1HB GLN 68 -8.784 -3.740 -8.453 520 1HG GLN 68 2HG GLN 68 -10.276 -2.385 -9.343 521 2HG GLN 68 1HG GLN 68 -11.225 -2.451 -7.858 522 1HE2 GLN 68 1HE2 GLN 68 -8.083 -0.982 -8.634 523 2HE2 GLN 68 2HE2 GLN 68 -8.518 0.611 -8.137 524 H ILE 69 H ILE 69 -8.063 -3.827 -4.864 525 HA ILE 69 HA ILE 69 -6.305 -5.926 -5.533 526 HB ILE 69 HB ILE 69 -6.569 -4.512 -2.880 527 1HG1 ILE 69 2HG1 ILE 69 -4.459 -3.816 -4.857 528 2HG1 ILE 69 1HG1 ILE 69 -6.093 -3.252 -5.194 529 1HG2 ILE 69 1HG2 ILE 69 -4.101 -5.107 -2.758 530 2HG2 ILE 69 2HG2 ILE 69 -4.421 -6.237 -4.074 531 3HG2 ILE 69 3HG2 ILE 69 -5.252 -6.421 -2.530 532 1HD1 ILE 69 1HD1 ILE 69 -5.838 -2.530 -2.608 533 2HD1 ILE 69 2HD1 ILE 69 -5.448 -1.486 -3.974 534 3HD1 ILE 69 3HD1 ILE 69 -4.170 -2.385 -3.155 535 H LYS 70 H LYS 70 -9.043 -5.771 -3.377 536 HA LYS 70 HA LYS 70 -8.477 -8.255 -2.101 537 1HB LYS 70 2HB LYS 70 -10.598 -8.011 -1.004 538 2HB LYS 70 1HB LYS 70 -9.777 -6.459 -1.029 539 1HG LYS 70 2HG LYS 70 -11.229 -5.566 -2.597 540 2HG LYS 70 1HG LYS 70 -11.797 -7.155 -3.117 541 1HD LYS 70 2HD LYS 70 -12.536 -7.244 -0.546 542 2HD LYS 70 1HD LYS 70 -12.605 -5.500 -0.799 543 1HE LYS 70 2HE LYS 70 -14.225 -5.694 -2.482 544 2HE LYS 70 1HE LYS 70 -13.915 -7.417 -2.699 545 1HZ LYS 70 1HZ LYS 70 -15.764 -7.580 -1.444 546 2HZ LYS 70 2HZ LYS 70 -15.563 -6.061 -0.725 547 3HZ LYS 70 3HZ LYS 70 -14.677 -7.387 -0.161 548 H GLN 71 H GLN 71 -10.217 -7.250 -4.906 549 HA GLN 71 HA GLN 71 -11.781 -9.556 -5.273 550 1HB GLN 71 2HB GLN 71 -11.150 -7.159 -6.762 551 2HB GLN 71 1HB GLN 71 -11.202 -8.566 -7.817 552 1HG GLN 71 2HG GLN 71 -13.423 -8.827 -7.590 553 2HG GLN 71 1HG GLN 71 -13.419 -8.327 -5.900 554 1HE2 GLN 71 1HE2 GLN 71 -12.435 -5.866 -5.904 555 2HE2 GLN 71 2HE2 GLN 71 -13.402 -4.797 -6.857 556 H ARG 72 H ARG 72 -8.604 -8.631 -6.412 557 HA ARG 72 HA ARG 72 -8.197 -11.200 -7.698 558 1HB ARG 72 2HB ARG 72 -6.380 -8.804 -7.408 559 2HB ARG 72 1HB ARG 72 -5.967 -10.262 -8.300 560 1HG ARG 72 2HG ARG 72 -8.092 -9.806 -9.654 561 2HG ARG 72 1HG ARG 72 -8.029 -8.190 -8.948 562 1HD ARG 72 2HD ARG 72 -5.672 -8.024 -9.796 563 2HD ARG 72 1HD ARG 72 -5.951 -9.526 -10.673 564 HE ARG 72 HE ARG 72 -7.148 -6.918 -11.235 565 1HH1 ARG 72 1HH1 ARG 72 -6.852 -10.305 -12.067 566 2HH1 ARG 72 2HH1 ARG 72 -7.561 -10.102 -13.633 567 1HH2 ARG 72 1HH2 ARG 72 -8.077 -6.667 -13.293 568 2HH2 ARG 72 2HH2 ARG 72 -8.255 -8.043 -14.328 569 H HIS 73 H HIS 73 -7.510 -9.657 -4.711 570 HA HIS 73 HA HIS 73 -6.169 -12.075 -3.771 571 1HB HIS 73 2HB HIS 73 -5.095 -9.288 -3.346 572 2HB HIS 73 1HB HIS 73 -4.435 -10.760 -2.634 573 HD1 HIS 73 1HD HIS 73 -3.137 -12.352 -4.218 574 HD2 HIS 73 2HD HIS 73 -4.426 -8.809 -5.970 575 HE1 HIS 73 1HE HIS 73 -1.937 -12.227 -6.420 576 HE2 HIS 73 2HE HIS 73 -2.948 -10.230 -7.564 577 HA PRO 74 HA PRO 74 -9.443 -10.806 -0.822 578 1HB PRO 74 2HB PRO 74 -9.234 -13.652 -0.076 579 2HB PRO 74 1HB PRO 74 -10.653 -12.716 -0.552 580 1HG PRO 74 2HG PRO 74 -9.583 -14.549 -2.182 581 2HG PRO 74 1HG PRO 74 -10.273 -13.040 -2.810 582 1HD PRO 74 2HD PRO 74 -7.400 -13.767 -2.364 583 2HD PRO 74 1HD PRO 74 -8.145 -12.914 -3.734 584 H MET 75 H MET 75 -6.239 -11.492 -0.481 585 HA MET 75 HA MET 75 -6.355 -11.059 2.403 586 1HB MET 75 2HB MET 75 -4.672 -13.214 1.129 587 2HB MET 75 1HB MET 75 -4.650 -12.762 2.827 588 1HG MET 75 2HG MET 75 -6.328 -14.125 3.266 589 2HG MET 75 1HG MET 75 -7.331 -13.356 2.040 590 1HE MET 75 1HE MET 75 -8.631 -15.087 1.139 591 2HE MET 75 2HE MET 75 -8.129 -16.364 2.247 592 3HE MET 75 3HE MET 75 -8.107 -16.647 0.506 593 H LEU 76 H LEU 76 -5.413 -9.713 -0.281 594 HA LEU 76 HA LEU 76 -2.620 -9.338 0.122 595 1HB LEU 76 2HB LEU 76 -4.086 -9.036 -2.024 596 2HB LEU 76 1HB LEU 76 -4.241 -7.400 -1.440 597 HG LEU 76 HG LEU 76 -2.417 -7.893 -3.161 598 1HD1 LEU 76 1HD1 LEU 76 -2.750 -5.954 -1.401 599 2HD1 LEU 76 2HD1 LEU 76 -1.328 -6.045 -2.443 600 3HD1 LEU 76 3HD1 LEU 76 -1.234 -6.604 -0.774 601 1HD2 LEU 76 1HD2 LEU 76 -0.683 -8.625 -0.873 602 2HD2 LEU 76 2HD2 LEU 76 -0.521 -9.004 -2.584 603 3HD2 LEU 76 3HD2 LEU 76 -1.672 -9.896 -1.589 604 HA PRO 77 HA PRO 77 -3.211 -6.287 3.363 605 1HB PRO 77 2HB PRO 77 -0.549 -5.938 3.815 606 2HB PRO 77 1HB PRO 77 -1.480 -7.269 4.496 607 1HG PRO 77 2HG PRO 77 0.334 -7.217 2.126 608 2HG PRO 77 1HG PRO 77 0.149 -8.465 3.372 609 1HD PRO 77 2HD PRO 77 -0.959 -8.671 0.917 610 2HD PRO 77 1HD PRO 77 -1.702 -9.373 2.365 611 H VAL 78 H VAL 78 -3.796 -4.284 2.716 612 HA VAL 78 HA VAL 78 -1.961 -2.799 0.940 613 HB VAL 78 HB VAL 78 -4.866 -2.110 1.282 614 1HG1 VAL 78 1HG1 VAL 78 -2.695 -1.421 -0.659 615 2HG1 VAL 78 2HG1 VAL 78 -3.760 -0.352 0.254 616 3HG1 VAL 78 3HG1 VAL 78 -4.392 -1.271 -1.114 617 1HG2 VAL 78 1HG2 VAL 78 -3.647 -4.251 -0.406 618 2HG2 VAL 78 2HG2 VAL 78 -5.011 -3.331 -1.037 619 3HG2 VAL 78 3HG2 VAL 78 -5.183 -4.239 0.462 620 H ILE 79 H ILE 79 -1.235 -0.818 1.540 621 HA ILE 79 HA ILE 79 -2.161 0.193 4.147 622 HB ILE 79 HB ILE 79 0.448 0.968 2.873 623 1HG1 ILE 79 2HG1 ILE 79 0.563 -0.947 5.090 624 2HG1 ILE 79 1HG1 ILE 79 -0.100 -1.620 3.605 625 1HG2 ILE 79 1HG2 ILE 79 0.903 2.041 4.819 626 2HG2 ILE 79 2HG2 ILE 79 0.029 0.860 5.796 627 3HG2 ILE 79 3HG2 ILE 79 -0.858 2.103 4.915 628 1HD1 ILE 79 1HD1 ILE 79 2.526 -1.508 4.213 629 2HD1 ILE 79 2HD1 ILE 79 2.339 -0.036 3.262 630 3HD1 ILE 79 3HD1 ILE 79 1.883 -1.593 2.574 631 H ILE 80 H ILE 80 -3.405 1.881 4.031 632 HA ILE 80 HA ILE 80 -3.265 3.657 1.714 633 HB ILE 80 HB ILE 80 -5.379 3.691 3.861 634 1HG1 ILE 80 2HG1 ILE 80 -6.720 2.372 2.120 635 2HG1 ILE 80 1HG1 ILE 80 -5.178 2.007 1.364 636 1HG2 ILE 80 1HG2 ILE 80 -6.243 4.385 1.220 637 2HG2 ILE 80 2HG2 ILE 80 -4.815 5.329 1.643 638 3HG2 ILE 80 3HG2 ILE 80 -6.233 5.365 2.682 639 1HD1 ILE 80 1HD1 ILE 80 -4.963 1.398 4.109 640 2HD1 ILE 80 2HD1 ILE 80 -4.927 0.302 2.734 641 3HD1 ILE 80 3HD1 ILE 80 -6.457 0.693 3.514 642 H MET 81 H MET 81 -2.624 5.740 1.866 643 HA MET 81 HA MET 81 -1.241 6.531 4.224 644 1HB MET 81 2HB MET 81 -0.713 8.591 2.989 645 2HB MET 81 1HB MET 81 -0.383 7.141 2.058 646 1HG MET 81 2HG MET 81 -1.637 7.882 0.414 647 2HG MET 81 1HG MET 81 -3.021 7.966 1.489 648 1HE MET 81 1HE MET 81 -0.928 9.346 -0.782 649 2HE MET 81 2HE MET 81 -0.340 10.932 -0.283 650 3HE MET 81 3HE MET 81 -1.918 10.780 -1.058 651 H THR 82 H THR 82 -4.473 7.175 3.081 652 HA THR 82 HA THR 82 -4.953 8.713 5.512 653 HB THR 82 HB THR 82 -5.917 9.829 2.887 654 HG1 THR 82 1HG THR 82 -3.520 10.376 4.280 655 1HG2 THR 82 1HG2 THR 82 -7.078 10.620 4.889 656 2HG2 THR 82 2HG2 THR 82 -6.160 11.898 4.092 657 3HG2 THR 82 3HG2 THR 82 -5.535 11.147 5.561 658 H ALA 83 H ALA 83 -7.225 9.029 6.011 659 HA ALA 83 HA ALA 83 -9.069 7.276 4.561 660 1HB ALA 83 1HB ALA 83 -9.445 7.136 7.453 661 2HB ALA 83 2HB ALA 83 -7.918 6.446 6.906 662 3HB ALA 83 3HB ALA 83 -9.442 5.851 6.243 663 H HIS 84 H HIS 84 -9.547 9.574 3.888 664 HA HIS 84 HA HIS 84 -10.769 11.360 5.716 665 1HB HIS 84 2HB HIS 84 -11.627 12.440 3.536 666 2HB HIS 84 1HB HIS 84 -9.894 12.373 3.800 667 HD1 HIS 84 1HD HIS 84 -9.666 12.615 1.186 668 HD2 HIS 84 2HD HIS 84 -11.410 9.077 2.496 669 HE1 HIS 84 1HE HIS 84 -9.589 11.059 -0.785 670 HE2 HIS 84 2HE HIS 84 -10.634 8.922 0.034 671 H SER 85 H SER 85 -13.106 11.819 3.717 672 HA SER 85 HA SER 85 -14.994 10.288 5.243 673 1HB SER 85 2HB SER 85 -16.575 11.498 3.473 674 2HB SER 85 1HB SER 85 -15.890 12.358 4.852 675 HG SER 85 HG SER 85 -15.665 13.309 2.639 676 H ASP 86 H ASP 86 -14.306 8.175 4.551 677 HA ASP 86 HA ASP 86 -16.003 7.013 2.671 678 1HB ASP 86 2HB ASP 86 -14.094 8.315 1.286 679 2HB ASP 86 1HB ASP 86 -13.276 6.779 1.531 680 H LEU 87 H LEU 87 -14.812 6.651 5.334 681 HA LEU 87 HA LEU 87 -12.978 4.588 5.507 682 1HB LEU 87 2HB LEU 87 -14.753 5.950 7.260 683 2HB LEU 87 1HB LEU 87 -14.935 4.232 7.552 684 HG LEU 87 HG LEU 87 -13.287 5.231 9.055 685 1HD1 LEU 87 1HD1 LEU 87 -11.392 3.698 7.509 686 2HD1 LEU 87 2HD1 LEU 87 -12.973 2.919 7.538 687 3HD1 LEU 87 3HD1 LEU 87 -12.159 3.318 9.051 688 1HD2 LEU 87 1HD2 LEU 87 -12.086 6.925 8.233 689 2HD2 LEU 87 2HD2 LEU 87 -12.320 6.398 6.565 690 3HD2 LEU 87 3HD2 LEU 87 -11.039 5.685 7.543 691 H ASP 88 H ASP 88 -16.246 4.465 4.451 692 HA ASP 88 HA ASP 88 -17.131 1.963 5.087 693 1HB ASP 88 2HB ASP 88 -17.400 3.415 2.448 694 2HB ASP 88 1HB ASP 88 -18.329 1.982 2.883 695 H ALA 89 H ALA 89 -15.166 2.733 2.206 696 HA ALA 89 HA ALA 89 -14.837 0.015 1.482 697 1HB ALA 89 1HB ALA 89 -14.673 1.854 -0.132 698 2HB ALA 89 2HB ALA 89 -13.238 0.827 -0.150 699 3HB ALA 89 3HB ALA 89 -13.197 2.393 0.660 700 H ALA 90 H ALA 90 -13.237 2.069 3.735 701 HA ALA 90 HA ALA 90 -10.779 0.594 3.827 702 1HB ALA 90 1HB ALA 90 -10.294 1.882 5.861 703 2HB ALA 90 2HB ALA 90 -11.936 2.529 5.836 704 3HB ALA 90 3HB ALA 90 -10.814 2.926 4.541 705 H VAL 91 H VAL 91 -13.777 0.652 5.719 706 HA VAL 91 HA VAL 91 -12.951 -1.171 7.683 707 HB VAL 91 HB VAL 91 -15.789 -0.856 6.733 708 1HG1 VAL 91 1HG1 VAL 91 -14.443 -2.221 8.955 709 2HG1 VAL 91 2HG1 VAL 91 -16.043 -2.496 8.252 710 3HG1 VAL 91 3HG1 VAL 91 -15.811 -1.214 9.441 711 1HG2 VAL 91 1HG2 VAL 91 -14.423 1.282 7.396 712 2HG2 VAL 91 2HG2 VAL 91 -14.656 0.677 9.033 713 3HG2 VAL 91 3HG2 VAL 91 -16.053 1.041 8.020 714 H SER 92 H SER 92 -14.860 -1.726 4.727 715 HA SER 92 HA SER 92 -15.071 -4.503 4.977 716 1HB SER 92 2HB SER 92 -15.145 -4.343 2.350 717 2HB SER 92 1HB SER 92 -16.442 -3.629 3.310 718 HG SER 92 HG SER 92 -15.721 -1.654 2.854 719 H ALA 93 H ALA 93 -12.512 -2.458 3.796 720 HA ALA 93 HA ALA 93 -10.938 -4.320 2.492 721 1HB ALA 93 1HB ALA 93 -9.965 -2.371 2.080 722 2HB ALA 93 2HB ALA 93 -9.124 -2.602 3.610 723 3HB ALA 93 3HB ALA 93 -10.605 -1.653 3.557 724 H TYR 94 H TYR 94 -11.116 -3.516 5.894 725 HA TYR 94 HA TYR 94 -8.908 -5.016 6.760 726 1HB TYR 94 2HB TYR 94 -11.452 -4.545 8.325 727 2HB TYR 94 1HB TYR 94 -9.852 -4.878 8.976 728 HD1 TYR 94 1HD TYR 94 -12.098 -2.391 8.854 729 HD2 TYR 94 2HD TYR 94 -8.071 -3.096 7.658 730 HE1 TYR 94 1HE TYR 94 -11.636 0.026 8.972 731 HE2 TYR 94 2HE TYR 94 -7.604 -0.685 7.772 732 HH TYR 94 HH TYR 94 -8.523 1.316 8.935 733 H GLN 95 H GLN 95 -11.996 -5.949 5.634 734 HA GLN 95 HA GLN 95 -12.095 -8.509 6.904 735 1HB GLN 95 2HB GLN 95 -14.169 -8.647 6.029 736 2HB GLN 95 1HB GLN 95 -13.939 -6.951 5.647 737 1HG GLN 95 2HG GLN 95 -12.883 -8.108 3.441 738 2HG GLN 95 1HG GLN 95 -14.115 -9.286 3.877 739 1HE2 GLN 95 1HE2 GLN 95 -13.725 -7.136 1.738 740 2HE2 GLN 95 2HE2 GLN 95 -15.245 -6.311 1.718 741 H GLN 96 H GLN 96 -11.119 -7.332 3.705 742 HA GLN 96 HA GLN 96 -10.396 -9.967 2.827 743 1HB GLN 96 2HB GLN 96 -9.691 -8.947 0.770 744 2HB GLN 96 1HB GLN 96 -11.240 -8.260 1.249 745 1HG GLN 96 2HG GLN 96 -9.159 -6.658 2.343 746 2HG GLN 96 1HG GLN 96 -8.829 -6.923 0.632 747 1HE2 GLN 96 1HE2 GLN 96 -9.237 -4.714 0.230 748 2HE2 GLN 96 2HE2 GLN 96 -10.851 -4.099 0.170 749 H GLY 97 H GLY 97 -8.872 -7.629 4.742 750 1HA GLY 97 2HA GLY 97 -6.814 -8.462 5.803 751 2HA GLY 97 1HA GLY 97 -6.281 -8.943 4.204 752 H ALA 98 H ALA 98 -7.768 -5.846 5.100 753 HA ALA 98 HA ALA 98 -5.827 -4.343 3.718 754 1HB ALA 98 1HB ALA 98 -7.229 -3.018 5.944 755 2HB ALA 98 2HB ALA 98 -8.244 -3.766 4.721 756 3HB ALA 98 3HB ALA 98 -7.073 -2.539 4.255 757 H PHE 99 H PHE 99 -4.072 -3.123 4.457 758 HA PHE 99 HA PHE 99 -2.648 -4.227 6.658 759 1HB PHE 99 2HB PHE 99 -1.911 -2.898 4.422 760 2HB PHE 99 1HB PHE 99 -1.794 -1.600 5.602 761 HD1 PHE 99 1HD PHE 99 -0.557 -4.837 4.573 762 HD2 PHE 99 2HD PHE 99 -0.045 -1.625 7.274 763 HE1 PHE 99 1HE PHE 99 1.649 -5.731 5.173 764 HE2 PHE 99 2HE PHE 99 2.170 -2.491 7.893 765 HZ PHE 99 HZ PHE 99 3.024 -4.555 6.836 766 H ASP 100 H ASP 100 -3.998 -1.008 6.011 767 HA ASP 100 HA ASP 100 -5.291 -0.528 8.361 768 1HB ASP 100 2HB ASP 100 -3.723 0.723 9.775 769 2HB ASP 100 1HB ASP 100 -3.160 -0.925 9.553 770 H TYR 101 H TYR 101 -4.724 2.084 9.000 771 HA TYR 101 HA TYR 101 -4.645 3.566 6.487 772 1HB TYR 101 2HB TYR 101 -7.016 3.190 8.209 773 2HB TYR 101 1HB TYR 101 -6.701 4.852 7.714 774 HD1 TYR 101 1HD TYR 101 -7.443 1.445 6.499 775 HD2 TYR 101 2HD TYR 101 -7.045 5.556 5.466 776 HE1 TYR 101 1HE TYR 101 -8.483 1.003 4.313 777 HE2 TYR 101 2HE TYR 101 -8.095 5.117 3.288 778 HH TYR 101 HH TYR 101 -8.323 2.324 1.893 779 H LEU 102 H LEU 102 -3.972 5.719 6.717 780 HA LEU 102 HA LEU 102 -2.850 6.331 9.353 781 1HB LEU 102 2HB LEU 102 -2.042 6.856 6.579 782 2HB LEU 102 1HB LEU 102 -1.810 8.208 7.672 783 HG LEU 102 HG LEU 102 -0.464 6.765 9.150 784 1HD1 LEU 102 1HD1 LEU 102 -0.944 4.577 8.948 785 2HD1 LEU 102 2HD1 LEU 102 0.315 4.627 7.714 786 3HD1 LEU 102 3HD1 LEU 102 -1.381 4.721 7.245 787 1HD2 LEU 102 1HD2 LEU 102 1.309 7.456 8.018 788 2HD2 LEU 102 2HD2 LEU 102 0.238 7.848 6.672 789 3HD2 LEU 102 3HD2 LEU 102 1.023 6.269 6.745 790 HA PRO 103 HA PRO 103 -6.219 9.233 9.868 791 1HB PRO 103 2HB PRO 103 -4.465 10.298 12.006 792 2HB PRO 103 1HB PRO 103 -6.136 9.736 12.094 793 1HG PRO 103 2HG PRO 103 -4.125 8.276 13.088 794 2HG PRO 103 1HG PRO 103 -5.523 7.518 12.301 795 1HD PRO 103 2HD PRO 103 -2.762 7.962 11.251 796 2HD PRO 103 1HD PRO 103 -3.856 6.584 11.010 797 H LYS 104 H LYS 104 -3.104 10.731 10.702 798 HA LYS 104 HA LYS 104 -3.643 12.781 8.665 799 1HB LYS 104 2HB LYS 104 -2.544 13.188 11.448 800 2HB LYS 104 1HB LYS 104 -2.542 14.426 10.199 801 1HG LYS 104 2HG LYS 104 -5.142 13.686 10.172 802 2HG LYS 104 1HG LYS 104 -4.737 13.417 11.868 803 1HD LYS 104 2HD LYS 104 -5.331 15.614 11.984 804 2HD LYS 104 1HD LYS 104 -3.624 15.813 11.582 805 1HE LYS 104 2HE LYS 104 -4.837 17.260 10.145 806 2HE LYS 104 1HE LYS 104 -4.314 15.892 9.163 807 1HZ LYS 104 1HZ LYS 104 -6.742 16.733 9.007 808 2HZ LYS 104 2HZ LYS 104 -6.970 15.841 10.427 809 3HZ LYS 104 3HZ LYS 104 -6.439 15.067 9.021 810 HA PRO 105 HA PRO 105 1.211 12.538 9.123 811 1HB PRO 105 2HB PRO 105 2.055 10.226 10.393 812 2HB PRO 105 1HB PRO 105 2.006 11.829 11.133 813 1HG PRO 105 2HG PRO 105 0.035 9.591 11.324 814 2HG PRO 105 1HG PRO 105 0.599 10.702 12.587 815 1HD PRO 105 2HD PRO 105 -1.779 11.034 11.431 816 2HD PRO 105 1HD PRO 105 -0.770 12.430 11.851 817 H PHE 106 H PHE 106 2.648 11.337 7.796 818 HA PHE 106 HA PHE 106 2.073 8.776 6.778 819 1HB PHE 106 2HB PHE 106 0.227 9.860 5.626 820 2HB PHE 106 1HB PHE 106 1.308 11.094 4.986 821 HD1 PHE 106 1HD PHE 106 1.541 10.857 2.713 822 HD2 PHE 106 2HD PHE 106 1.475 7.370 5.148 823 HE1 PHE 106 1HE PHE 106 1.953 9.466 0.726 824 HE2 PHE 106 2HE PHE 106 1.888 5.972 3.169 825 HZ PHE 106 HZ PHE 106 2.130 7.019 0.952 826 H ASP 107 H ASP 107 3.128 11.000 4.344 827 HA ASP 107 HA ASP 107 5.132 11.063 3.241 828 1HB ASP 107 2HB ASP 107 6.928 12.074 4.551 829 2HB ASP 107 1HB ASP 107 5.384 12.820 4.951 830 H ILE 108 H ILE 108 7.667 10.353 3.611 831 HA ILE 108 HA ILE 108 7.555 7.530 3.531 832 HB ILE 108 HB ILE 108 9.475 9.517 2.848 833 1HG1 ILE 108 2HG1 ILE 108 10.279 7.698 1.382 834 2HG1 ILE 108 1HG1 ILE 108 9.254 6.569 2.258 835 1HG2 ILE 108 1HG2 ILE 108 10.506 7.268 4.540 836 2HG2 ILE 108 2HG2 ILE 108 10.866 8.988 4.664 837 3HG2 ILE 108 3HG2 ILE 108 11.503 8.046 3.316 838 1HD1 ILE 108 1HD1 ILE 108 7.942 8.959 1.127 839 2HD1 ILE 108 2HD1 ILE 108 7.361 7.299 1.277 840 3HD1 ILE 108 3HD1 ILE 108 8.500 7.728 -0.006 841 H ASP 109 H ASP 109 8.757 9.769 5.930 842 HA ASP 109 HA ASP 109 10.010 8.070 7.673 843 1HB ASP 109 2HB ASP 109 8.242 10.423 8.353 844 2HB ASP 109 1HB ASP 109 9.353 9.649 9.477 845 H GLU 110 H GLU 110 6.533 8.948 7.880 846 HA GLU 110 HA GLU 110 6.075 6.897 9.805 847 1HB GLU 110 2HB GLU 110 4.089 8.606 8.309 848 2HB GLU 110 1HB GLU 110 3.704 7.552 9.661 849 1HG GLU 110 2HG GLU 110 5.658 9.828 9.828 850 2HG GLU 110 1HG GLU 110 3.948 9.967 10.233 851 H ALA 111 H ALA 111 5.690 7.167 6.354 852 HA ALA 111 HA ALA 111 4.046 4.885 6.018 853 1HB ALA 111 1HB ALA 111 4.018 6.194 4.135 854 2HB ALA 111 2HB ALA 111 5.174 4.954 3.648 855 3HB ALA 111 3HB ALA 111 5.750 6.521 4.204 856 H VAL 112 H VAL 112 7.531 5.295 5.312 857 HA VAL 112 HA VAL 112 8.096 2.569 5.036 858 HB VAL 112 HB VAL 112 9.997 4.664 6.075 859 1HG1 VAL 112 1HG1 VAL 112 10.291 1.885 5.698 860 2HG1 VAL 112 2HG1 VAL 112 11.550 3.068 6.063 861 3HG1 VAL 112 3HG1 VAL 112 11.176 2.668 4.386 862 1HG2 VAL 112 1HG2 VAL 112 8.810 4.239 3.435 863 2HG2 VAL 112 2HG2 VAL 112 10.571 4.326 3.420 864 3HG2 VAL 112 3HG2 VAL 112 9.629 5.653 4.095 865 H ALA 113 H ALA 113 7.780 4.553 7.857 866 HA ALA 113 HA ALA 113 9.026 2.866 9.741 867 1HB ALA 113 1HB ALA 113 6.778 4.842 10.081 868 2HB ALA 113 2HB ALA 113 8.502 5.162 10.284 869 3HB ALA 113 3HB ALA 113 7.667 4.092 11.406 870 H LEU 114 H LEU 114 5.681 3.204 8.689 871 HA LEU 114 HA LEU 114 4.670 1.126 10.328 872 1HB LEU 114 2HB LEU 114 3.168 2.834 9.702 873 2HB LEU 114 1HB LEU 114 3.587 2.686 8.007 874 HG LEU 114 HG LEU 114 2.530 0.266 8.325 875 1HD1 LEU 114 1HD1 LEU 114 1.660 1.796 10.684 876 2HD1 LEU 114 2HD1 LEU 114 1.768 0.054 10.434 877 3HD1 LEU 114 3HD1 LEU 114 0.391 0.953 9.796 878 1HD2 LEU 114 1HD2 LEU 114 0.849 2.747 8.055 879 2HD2 LEU 114 2HD2 LEU 114 0.480 1.137 7.442 880 3HD2 LEU 114 3HD2 LEU 114 1.827 2.051 6.763 881 H VAL 115 H VAL 115 6.203 1.180 7.230 882 HA VAL 115 HA VAL 115 5.084 -1.326 6.395 883 HB VAL 115 HB VAL 115 5.857 0.400 4.751 884 1HG1 VAL 115 1HG1 VAL 115 8.144 0.649 4.210 885 2HG1 VAL 115 2HG1 VAL 115 8.615 -0.679 5.271 886 3HG1 VAL 115 3HG1 VAL 115 8.029 0.830 5.953 887 1HG2 VAL 115 1HG2 VAL 115 5.717 -1.309 3.349 888 2HG2 VAL 115 2HG2 VAL 115 6.029 -2.426 4.680 889 3HG2 VAL 115 3HG2 VAL 115 7.372 -1.778 3.735 890 H GLU 116 H GLU 116 8.298 -0.309 7.538 891 HA GLU 116 HA GLU 116 9.427 -2.891 7.470 892 1HB GLU 116 2HB GLU 116 10.200 -0.519 9.174 893 2HB GLU 116 1HB GLU 116 11.197 -1.939 8.881 894 1HG GLU 116 2HG GLU 116 10.733 -1.220 6.354 895 2HG GLU 116 1HG GLU 116 10.599 0.358 7.128 896 H ARG 117 H ARG 117 8.207 -0.984 10.222 897 HA ARG 117 HA ARG 117 8.539 -2.938 12.175 898 1HB ARG 117 2HB ARG 117 6.566 -0.672 11.954 899 2HB ARG 117 1HB ARG 117 6.689 -1.689 13.382 900 1HG ARG 117 2HG ARG 117 8.797 -0.891 13.930 901 2HG ARG 117 1HG ARG 117 9.100 -0.291 12.298 902 1HD ARG 117 2HD ARG 117 8.650 1.671 13.403 903 2HD ARG 117 1HD ARG 117 7.047 1.249 12.808 904 HE ARG 117 HE ARG 117 6.461 0.536 15.005 905 1HH1 ARG 117 1HH1 ARG 117 9.562 2.149 14.825 906 2HH1 ARG 117 2HH1 ARG 117 9.599 2.518 16.515 907 1HH2 ARG 117 1HH2 ARG 117 6.525 1.023 17.224 908 2HH2 ARG 117 2HH2 ARG 117 7.883 1.879 17.873 909 H ALA 118 H ALA 118 6.133 -2.613 9.725 910 HA ALA 118 HA ALA 118 4.189 -4.312 10.913 911 1HB ALA 118 1HB ALA 118 3.517 -2.693 9.272 912 2HB ALA 118 2HB ALA 118 3.150 -4.312 8.688 913 3HB ALA 118 3HB ALA 118 4.550 -3.443 8.050 914 H ILE 119 H ILE 119 6.612 -4.798 8.346 915 HA ILE 119 HA ILE 119 6.011 -7.506 7.887 916 HB ILE 119 HB ILE 119 8.705 -6.205 7.531 917 1HG1 ILE 119 2HG1 ILE 119 6.844 -6.405 5.236 918 2HG1 ILE 119 1HG1 ILE 119 6.442 -5.196 6.452 919 1HG2 ILE 119 1HG2 ILE 119 7.399 -8.566 6.190 920 2HG2 ILE 119 2HG2 ILE 119 8.784 -8.595 7.281 921 3HG2 ILE 119 3HG2 ILE 119 8.929 -7.844 5.690 922 1HD1 ILE 119 1HD1 ILE 119 8.486 -4.068 6.139 923 2HD1 ILE 119 2HD1 ILE 119 7.845 -4.403 4.529 924 3HD1 ILE 119 3HD1 ILE 119 9.151 -5.394 5.183 925 H SER 120 H SER 120 7.974 -5.880 10.230 926 HA SER 120 HA SER 120 9.389 -8.171 11.137 927 1HB SER 120 2HB SER 120 10.289 -5.918 11.469 928 2HB SER 120 1HB SER 120 8.914 -5.511 12.497 929 HG SER 120 HG SER 120 9.622 -7.194 13.917 930 H HIS 121 H HIS 121 6.615 -6.343 12.405 931 HA HIS 121 HA HIS 121 6.196 -8.098 14.605 932 1HB HIS 121 2HB HIS 121 4.630 -5.868 13.356 933 2HB HIS 121 1HB HIS 121 3.867 -6.904 14.561 934 HD1 HIS 121 1HD HIS 121 7.092 -4.891 14.286 935 HD2 HIS 121 2HD HIS 121 4.189 -5.947 17.065 936 HE1 HIS 121 1HE HIS 121 7.734 -3.709 16.410 937 HE2 HIS 121 2HE HIS 121 6.016 -4.438 18.103 938 H TYR 122 H TYR 122 5.259 -8.160 11.294 939 HA TYR 122 HA TYR 122 2.977 -9.818 11.543 940 1HB TYR 122 2HB TYR 122 3.543 -8.447 9.524 941 2HB TYR 122 1HB TYR 122 4.824 -9.600 9.161 942 HD1 TYR 122 1HD TYR 122 4.214 -10.813 7.291 943 HD2 TYR 122 2HD TYR 122 1.287 -10.055 10.283 944 HE1 TYR 122 1HE TYR 122 2.608 -12.209 6.063 945 HE2 TYR 122 2HE TYR 122 -0.329 -11.451 9.064 946 HH TYR 122 HH TYR 122 -0.438 -13.143 7.425 947 H GLN 123 H GLN 123 6.387 -10.507 10.843 948 HA GLN 123 HA GLN 123 5.981 -13.328 10.725 949 1HB GLN 123 2HB GLN 123 8.428 -13.465 10.600 950 2HB GLN 123 1HB GLN 123 7.788 -12.285 9.468 951 1HG GLN 123 2HG GLN 123 8.348 -10.505 11.125 952 2HG GLN 123 1HG GLN 123 9.157 -11.743 12.089 953 1HE2 GLN 123 1HE2 GLN 123 10.604 -9.629 11.273 954 2HE2 GLN 123 2HE2 GLN 123 11.708 -10.084 10.026 955 H GLU 124 H GLU 124 7.872 -14.534 12.165 956 HA GLU 124 HA GLU 124 6.908 -14.179 14.894 957 1HB GLU 124 2HB GLU 124 8.488 -16.369 13.545 958 2HB GLU 124 1HB GLU 124 8.158 -16.351 15.273 959 1HG GLU 124 2HG GLU 124 5.734 -16.313 14.757 960 2HG GLU 124 1HG GLU 124 6.136 -16.476 13.048 Start of MODEL 13 1 1H MET 1 1HT MET 1 4.917 -17.046 3.643 2 2H MET 1 2HT MET 1 6.159 -18.223 3.765 3 3H MET 1 3HT MET 1 6.054 -17.224 2.373 4 HA MET 1 HA MET 1 6.225 -15.804 4.853 5 1HB MET 1 2HB MET 1 8.095 -17.960 4.182 6 2HB MET 1 1HB MET 1 8.886 -16.408 4.429 7 1HG MET 1 2HG MET 1 8.191 -16.261 6.635 8 2HG MET 1 1HG MET 1 6.899 -17.439 6.408 9 1HE MET 1 1HE MET 1 11.341 -18.024 6.840 10 2HE MET 1 2HE MET 1 10.503 -16.922 5.749 11 3HE MET 1 3HE MET 1 10.858 -18.572 5.235 12 H GLN 2 H GLN 2 7.828 -16.600 1.767 13 HA GLN 2 HA GLN 2 8.508 -15.297 0.031 14 1HB GLN 2 2HB GLN 2 6.239 -13.915 1.130 15 2HB GLN 2 1HB GLN 2 7.431 -12.740 0.591 16 1HG GLN 2 2HG GLN 2 5.884 -13.190 -1.187 17 2HG GLN 2 1HG GLN 2 7.471 -13.824 -1.616 18 1HE2 GLN 2 1HE2 GLN 2 4.535 -14.903 0.066 19 2HE2 GLN 2 2HE2 GLN 2 4.476 -16.460 -0.678 20 H ARG 3 H ARG 3 10.144 -13.813 -0.484 21 HA ARG 3 HA ARG 3 12.029 -13.344 1.540 22 1HB ARG 3 2HB ARG 3 13.166 -11.905 -0.223 23 2HB ARG 3 1HB ARG 3 12.910 -13.595 -0.618 24 1HG ARG 3 2HG ARG 3 10.645 -12.446 -1.620 25 2HG ARG 3 1HG ARG 3 11.845 -11.181 -1.876 26 1HD ARG 3 2HD ARG 3 12.927 -12.349 -3.455 27 2HD ARG 3 1HD ARG 3 12.756 -13.872 -2.587 28 HE ARG 3 HE ARG 3 10.748 -12.682 -4.380 29 1HH1 ARG 3 1HH1 ARG 3 12.009 -15.445 -2.644 30 2HH1 ARG 3 2HH1 ARG 3 10.951 -16.569 -3.425 31 1HH2 ARG 3 1HH2 ARG 3 9.351 -14.157 -5.389 32 2HH2 ARG 3 2HH2 ARG 3 9.439 -15.838 -4.983 33 H GLY 4 H GLY 4 10.517 -10.857 -0.442 34 1HA GLY 4 2HA GLY 4 9.381 -9.280 1.494 35 2HA GLY 4 1HA GLY 4 11.071 -8.794 1.447 36 H ILE 5 H ILE 5 8.061 -8.890 -0.306 37 HA ILE 5 HA ILE 5 9.233 -7.052 -2.293 38 HB ILE 5 HB ILE 5 6.785 -8.752 -2.734 39 1HG1 ILE 5 2HG1 ILE 5 8.738 -10.212 -2.368 40 2HG1 ILE 5 1HG1 ILE 5 8.213 -10.258 -4.049 41 1HG2 ILE 5 1HG2 ILE 5 6.562 -7.465 -4.531 42 2HG2 ILE 5 2HG2 ILE 5 8.088 -8.111 -5.135 43 3HG2 ILE 5 3HG2 ILE 5 8.075 -6.630 -4.177 44 1HD1 ILE 5 1HD1 ILE 5 10.370 -9.959 -4.513 45 2HD1 ILE 5 2HD1 ILE 5 10.736 -9.373 -2.891 46 3HD1 ILE 5 3HD1 ILE 5 10.072 -8.272 -4.097 47 H VAL 6 H VAL 6 8.650 -5.030 -1.893 48 HA VAL 6 HA VAL 6 5.967 -4.514 -0.800 49 HB VAL 6 HB VAL 6 7.897 -3.584 0.491 50 1HG1 VAL 6 1HG1 VAL 6 9.499 -3.050 -1.135 51 2HG1 VAL 6 2HG1 VAL 6 8.926 -1.492 -0.549 52 3HG1 VAL 6 3HG1 VAL 6 8.349 -2.115 -2.079 53 1HG2 VAL 6 1HG2 VAL 6 5.514 -2.481 0.125 54 2HG2 VAL 6 2HG2 VAL 6 6.492 -1.201 -0.586 55 3HG2 VAL 6 3HG2 VAL 6 6.766 -1.698 1.084 56 H TRP 7 H TRP 7 4.479 -3.571 -2.048 57 HA TRP 7 HA TRP 7 5.402 -2.357 -4.563 58 1HB TRP 7 2HB TRP 7 3.068 -4.128 -3.965 59 2HB TRP 7 1HB TRP 7 2.975 -2.991 -5.307 60 HD1 TRP 7 HD1 TRP 7 6.429 -4.308 -4.836 61 HE1 TRP 7 1HE TRP 7 6.983 -6.032 -6.648 62 HE3 TRP 7 3HE TRP 7 1.730 -5.043 -6.709 63 HZ2 TRP 7 2HZ TRP 7 5.613 -7.529 -8.609 64 HZ3 TRP 7 3HZ TRP 7 1.440 -6.643 -8.557 65 HH2 TRP 7 HH2 TRP 7 3.341 -7.860 -9.484 66 H VAL 8 H VAL 8 4.877 -0.321 -4.933 67 HA VAL 8 HA VAL 8 2.919 0.941 -3.131 68 HB VAL 8 HB VAL 8 5.062 2.594 -4.332 69 1HG1 VAL 8 1HG1 VAL 8 4.851 3.276 -1.727 70 2HG1 VAL 8 2HG1 VAL 8 3.243 2.636 -2.039 71 3HG1 VAL 8 3HG1 VAL 8 3.868 3.958 -3.020 72 1HG2 VAL 8 1HG2 VAL 8 6.163 1.757 -1.908 73 2HG2 VAL 8 2HG2 VAL 8 6.760 1.386 -3.524 74 3HG2 VAL 8 3HG2 VAL 8 5.667 0.270 -2.710 75 H VAL 9 H VAL 9 1.639 2.613 -3.925 76 HA VAL 9 HA VAL 9 1.660 2.944 -6.847 77 HB VAL 9 HB VAL 9 -0.993 3.329 -5.731 78 1HG1 VAL 9 1HG1 VAL 9 0.304 1.879 -7.981 79 2HG1 VAL 9 2HG1 VAL 9 -0.929 3.128 -8.021 80 3HG1 VAL 9 3HG1 VAL 9 -1.358 1.476 -7.577 81 1HG2 VAL 9 1HG2 VAL 9 0.310 0.635 -5.352 82 2HG2 VAL 9 2HG2 VAL 9 -1.437 0.864 -5.420 83 3HG2 VAL 9 3HG2 VAL 9 -0.496 1.626 -4.138 84 H ASP 10 H ASP 10 2.212 4.949 -7.309 85 HA ASP 10 HA ASP 10 0.811 7.202 -6.239 86 1HB ASP 10 2HB ASP 10 2.895 6.403 -4.665 87 2HB ASP 10 1HB ASP 10 3.689 7.558 -5.729 88 H ASP 11 H ASP 11 2.809 9.140 -6.801 89 HA ASP 11 HA ASP 11 2.460 9.417 -9.584 90 1HB ASP 11 2HB ASP 11 2.874 11.188 -7.663 91 2HB ASP 11 1HB ASP 11 4.551 10.999 -8.165 92 H ASP 12 H ASP 12 4.542 7.329 -8.126 93 HA ASP 12 HA ASP 12 6.332 6.144 -8.879 94 1HB ASP 12 2HB ASP 12 4.921 6.504 -11.085 95 2HB ASP 12 1HB ASP 12 6.275 7.538 -11.527 96 H SER 13 H SER 13 8.371 6.964 -10.733 97 HA SER 13 HA SER 13 10.482 7.773 -10.364 98 1HB SER 13 2HB SER 13 9.081 9.222 -11.940 99 2HB SER 13 1HB SER 13 9.095 10.412 -10.642 100 HG SER 13 HG SER 13 11.290 9.344 -12.070 101 H SER 14 H SER 14 9.054 10.650 -8.975 102 HA SER 14 HA SER 14 10.939 10.952 -6.978 103 1HB SER 14 2HB SER 14 9.140 12.606 -7.846 104 2HB SER 14 1HB SER 14 8.117 11.910 -6.591 105 HG SER 14 HG SER 14 10.315 13.570 -6.372 106 H ILE 15 H ILE 15 7.612 9.706 -6.566 107 HA ILE 15 HA ILE 15 7.987 8.968 -3.867 108 HB ILE 15 HB ILE 15 5.971 7.743 -5.743 109 1HG1 ILE 15 2HG1 ILE 15 5.866 10.198 -5.911 110 2HG1 ILE 15 1HG1 ILE 15 4.443 9.545 -5.105 111 1HG2 ILE 15 1HG2 ILE 15 4.688 7.291 -3.809 112 2HG2 ILE 15 2HG2 ILE 15 5.727 8.293 -2.797 113 3HG2 ILE 15 3HG2 ILE 15 6.332 6.770 -3.446 114 1HD1 ILE 15 1HD1 ILE 15 6.149 11.571 -4.209 115 2HD1 ILE 15 2HD1 ILE 15 6.442 10.183 -3.161 116 3HD1 ILE 15 3HD1 ILE 15 4.808 10.822 -3.343 117 H ARG 16 H ARG 16 8.749 7.424 -6.854 118 HA ARG 16 HA ARG 16 8.976 4.764 -5.786 119 1HB ARG 16 2HB ARG 16 8.510 5.286 -8.201 120 2HB ARG 16 1HB ARG 16 10.171 5.844 -8.338 121 1HG ARG 16 2HG ARG 16 10.161 3.246 -7.157 122 2HG ARG 16 1HG ARG 16 9.186 3.221 -8.627 123 1HD ARG 16 2HD ARG 16 11.849 4.560 -8.669 124 2HD ARG 16 1HD ARG 16 11.768 2.799 -8.727 125 HE ARG 16 HE ARG 16 10.017 4.003 -10.623 126 1HH1 ARG 16 1HH1 ARG 16 13.355 3.161 -10.050 127 2HH1 ARG 16 2HH1 ARG 16 13.745 3.053 -11.733 128 1HH2 ARG 16 1HH2 ARG 16 10.525 3.861 -12.829 129 2HH2 ARG 16 2HH2 ARG 16 12.137 3.449 -13.312 130 H TRP 17 H TRP 17 11.235 7.355 -6.659 131 HA TRP 17 HA TRP 17 13.581 5.927 -6.084 132 1HB TRP 17 2HB TRP 17 13.526 8.003 -7.429 133 2HB TRP 17 1HB TRP 17 13.179 8.919 -5.963 134 HD1 TRP 17 HD1 TRP 17 15.990 6.887 -7.617 135 HE1 TRP 17 1HE TRP 17 18.226 7.559 -6.531 136 HE3 TRP 17 3HE TRP 17 14.210 9.932 -3.918 137 HZ2 TRP 17 2HZ TRP 17 19.114 9.168 -4.388 138 HZ3 TRP 17 3HZ TRP 17 15.817 11.001 -2.393 139 HH2 TRP 17 HH2 TRP 17 18.218 10.626 -2.624 140 H VAL 18 H VAL 18 11.551 7.991 -4.073 141 HA VAL 18 HA VAL 18 13.288 8.030 -1.849 142 HB VAL 18 HB VAL 18 10.312 8.363 -1.664 143 1HG1 VAL 18 1HG1 VAL 18 12.629 9.497 -0.102 144 2HG1 VAL 18 2HG1 VAL 18 11.477 8.285 0.448 145 3HG1 VAL 18 3HG1 VAL 18 10.938 9.935 0.141 146 1HG2 VAL 18 1HG2 VAL 18 12.037 9.836 -3.335 147 2HG2 VAL 18 2HG2 VAL 18 11.678 10.860 -1.943 148 3HG2 VAL 18 3HG2 VAL 18 10.362 10.197 -2.911 149 H LEU 19 H LEU 19 10.518 6.001 -2.625 150 HA LEU 19 HA LEU 19 10.780 4.573 -0.153 151 1HB LEU 19 2HB LEU 19 8.692 5.001 -1.951 152 2HB LEU 19 1HB LEU 19 9.020 3.280 -2.032 153 HG LEU 19 HG LEU 19 8.712 3.087 0.388 154 1HD1 LEU 19 1HD1 LEU 19 8.051 6.027 0.297 155 2HD1 LEU 19 2HD1 LEU 19 9.495 5.317 1.018 156 3HD1 LEU 19 3HD1 LEU 19 7.908 4.972 1.703 157 1HD2 LEU 19 1HD2 LEU 19 6.619 2.651 -0.209 158 2HD2 LEU 19 2HD2 LEU 19 6.672 3.853 -1.497 159 3HD2 LEU 19 3HD2 LEU 19 6.229 4.335 0.141 160 H GLU 20 H GLU 20 11.955 4.160 -3.363 161 HA GLU 20 HA GLU 20 12.272 1.354 -3.254 162 1HB GLU 20 2HB GLU 20 13.687 1.544 -5.178 163 2HB GLU 20 1HB GLU 20 12.318 2.619 -5.370 164 1HG GLU 20 2HG GLU 20 13.742 4.506 -4.735 165 2HG GLU 20 1HG GLU 20 15.114 3.408 -4.606 166 H ARG 21 H ARG 21 14.642 3.946 -2.857 167 HA ARG 21 HA ARG 21 16.735 2.270 -2.018 168 1HB ARG 21 2HB ARG 21 16.271 5.214 -1.544 169 2HB ARG 21 1HB ARG 21 17.761 4.378 -1.124 170 1HG ARG 21 2HG ARG 21 17.024 3.831 -3.851 171 2HG ARG 21 1HG ARG 21 17.115 5.569 -3.560 172 1HD ARG 21 2HD ARG 21 19.359 5.450 -2.894 173 2HD ARG 21 1HD ARG 21 19.283 3.706 -2.650 174 HE ARG 21 HE ARG 21 18.838 4.573 -5.368 175 1HH1 ARG 21 1HH1 ARG 21 21.186 3.539 -3.003 176 2HH1 ARG 21 2HH1 ARG 21 22.343 3.037 -4.188 177 1HH2 ARG 21 1HH2 ARG 21 20.356 3.915 -6.929 178 2HH2 ARG 21 2HH2 ARG 21 21.873 3.251 -6.420 179 H ALA 22 H ALA 22 14.498 4.269 -0.099 180 HA ALA 22 HA ALA 22 15.492 3.672 2.415 181 1HB ALA 22 1HB ALA 22 13.477 5.212 1.543 182 2HB ALA 22 2HB ALA 22 13.671 4.747 3.233 183 3HB ALA 22 3HB ALA 22 12.556 3.859 2.195 184 H LEU 23 H LEU 23 12.822 2.081 0.768 185 HA LEU 23 HA LEU 23 12.541 0.019 2.672 186 1HB LEU 23 2HB LEU 23 10.852 0.800 0.929 187 2HB LEU 23 1HB LEU 23 11.750 -0.168 -0.222 188 HG LEU 23 HG LEU 23 9.633 -1.145 0.914 189 1HD1 LEU 23 1HD1 LEU 23 11.364 -2.281 -0.553 190 2HD1 LEU 23 2HD1 LEU 23 10.426 -3.312 0.524 191 3HD1 LEU 23 3HD1 LEU 23 12.081 -2.876 0.942 192 1HD2 LEU 23 1HD2 LEU 23 10.291 -0.645 3.210 193 2HD2 LEU 23 2HD2 LEU 23 11.693 -1.699 3.041 194 3HD2 LEU 23 3HD2 LEU 23 10.067 -2.376 2.962 195 H ALA 24 H ALA 24 14.586 0.447 -0.084 196 HA ALA 24 HA ALA 24 15.327 -2.266 -0.417 197 1HB ALA 24 1HB ALA 24 15.744 -0.712 -2.208 198 2HB ALA 24 2HB ALA 24 17.288 -1.347 -1.640 199 3HB ALA 24 3HB ALA 24 16.775 0.273 -1.168 200 H GLY 25 H GLY 25 16.392 0.382 1.624 201 1HA GLY 25 2HA GLY 25 18.785 -0.757 2.585 202 2HA GLY 25 1HA GLY 25 17.801 0.427 3.437 203 H ALA 26 H ALA 26 15.445 -1.397 3.305 204 HA ALA 26 HA ALA 26 15.936 -2.779 5.758 205 1HB ALA 26 1HB ALA 26 13.524 -3.615 5.256 206 2HB ALA 26 2HB ALA 26 13.559 -2.381 3.997 207 3HB ALA 26 3HB ALA 26 13.794 -1.928 5.684 208 H GLY 27 H GLY 27 16.244 -3.551 2.459 209 1HA GLY 27 2HA GLY 27 17.338 -5.526 1.746 210 2HA GLY 27 1HA GLY 27 16.729 -6.347 3.173 211 H LEU 28 H LEU 28 14.540 -4.423 1.202 212 HA LEU 28 HA LEU 28 13.564 -6.905 0.010 213 1HB LEU 28 2HB LEU 28 11.483 -4.957 0.726 214 2HB LEU 28 1HB LEU 28 11.449 -6.705 0.773 215 HG LEU 28 HG LEU 28 13.129 -6.276 2.804 216 1HD1 LEU 28 1HD1 LEU 28 13.169 -3.914 2.692 217 2HD1 LEU 28 2HD1 LEU 28 12.211 -4.352 4.107 218 3HD1 LEU 28 3HD1 LEU 28 11.407 -3.826 2.628 219 1HD2 LEU 28 1HD2 LEU 28 10.418 -7.000 2.478 220 2HD2 LEU 28 2HD2 LEU 28 10.505 -5.908 3.860 221 3HD2 LEU 28 3HD2 LEU 28 11.493 -7.369 3.827 222 H THR 29 H THR 29 11.829 -6.411 -1.721 223 HA THR 29 HA THR 29 13.029 -4.437 -3.511 224 HB THR 29 HB THR 29 11.091 -6.703 -3.962 225 HG1 THR 29 1HG THR 29 13.819 -6.301 -4.373 226 1HG2 THR 29 1HG2 THR 29 11.691 -4.436 -5.695 227 2HG2 THR 29 2HG2 THR 29 10.368 -5.603 -5.753 228 3HG2 THR 29 3HG2 THR 29 11.938 -6.014 -6.444 229 H CYS 30 H CYS 30 12.070 -2.579 -4.089 230 HA CYS 30 HA CYS 30 9.234 -2.202 -3.382 231 1HB CYS 30 2HB CYS 30 10.743 -0.994 -1.832 232 2HB CYS 30 1HB CYS 30 11.404 -0.119 -3.205 233 HG CYS 30 HG CYS 30 8.765 0.472 -1.812 234 H THR 31 H THR 31 8.041 -1.982 -5.066 235 HA THR 31 HA THR 31 9.077 -0.537 -7.420 236 HB THR 31 HB THR 31 8.490 -3.076 -7.620 237 HG1 THR 31 1HG THR 31 8.586 -1.311 -9.348 238 1HG2 THR 31 1HG2 THR 31 6.349 -2.959 -6.453 239 2HG2 THR 31 2HG2 THR 31 6.178 -3.569 -8.097 240 3HG2 THR 31 3HG2 THR 31 5.730 -1.908 -7.716 241 H THR 32 H THR 32 7.430 0.784 -8.538 242 HA THR 32 HA THR 32 5.124 1.418 -6.856 243 HB THR 32 HB THR 32 5.478 3.802 -7.184 244 HG1 THR 32 1HG THR 32 6.675 4.349 -8.802 245 1HG2 THR 32 1HG2 THR 32 7.371 4.145 -5.796 246 2HG2 THR 32 2HG2 THR 32 8.058 2.581 -6.244 247 3HG2 THR 32 3HG2 THR 32 6.595 2.656 -5.268 248 H PHE 33 H PHE 33 3.324 2.314 -7.889 249 HA PHE 33 HA PHE 33 3.280 2.073 -10.821 250 1HB PHE 33 2HB PHE 33 1.020 1.297 -8.981 251 2HB PHE 33 1HB PHE 33 1.045 1.157 -10.723 252 HD1 PHE 33 1HD PHE 33 1.411 -0.974 -11.564 253 HD2 PHE 33 2HD PHE 33 3.086 0.098 -7.815 254 HE1 PHE 33 1HE PHE 33 2.313 -3.245 -11.331 255 HE2 PHE 33 2HE PHE 33 4.009 -2.160 -7.572 256 HZ PHE 33 HZ PHE 33 3.607 -3.854 -9.335 257 H GLU 34 H GLU 34 1.139 3.133 -11.661 258 HA GLU 34 HA GLU 34 1.347 5.865 -11.157 259 1HB GLU 34 2HB GLU 34 -0.803 5.953 -12.523 260 2HB GLU 34 1HB GLU 34 0.581 5.161 -13.266 261 1HG GLU 34 2HG GLU 34 -0.556 3.287 -13.529 262 2HG GLU 34 1HG GLU 34 -0.943 3.233 -11.813 263 H ASN 35 H ASN 35 -1.968 5.075 -11.129 264 HA ASN 35 HA ASN 35 -2.367 6.437 -8.665 265 1HB ASN 35 2HB ASN 35 -3.942 5.737 -10.976 266 2HB ASN 35 1HB ASN 35 -4.817 5.398 -9.487 267 1HD2 ASN 35 1HD2 ASN 35 -2.507 7.951 -10.328 268 2HD2 ASN 35 2HD2 ASN 35 -3.575 9.264 -9.984 269 H GLY 36 H GLY 36 -3.767 3.406 -9.780 270 1HA GLY 36 2HA GLY 36 -2.929 1.963 -7.456 271 2HA GLY 36 1HA GLY 36 -4.603 2.443 -7.359 272 H ASN 37 H ASN 37 -5.191 2.125 -10.174 273 HA ASN 37 HA ASN 37 -5.898 -0.593 -10.151 274 1HB ASN 37 2HB ASN 37 -5.931 1.515 -12.284 275 2HB ASN 37 1HB ASN 37 -6.325 -0.157 -12.673 276 1HD2 ASN 37 1HD2 ASN 37 -7.779 -1.067 -10.677 277 2HD2 ASN 37 2HD2 ASN 37 -9.206 -0.126 -10.428 278 H GLU 38 H GLU 38 -3.098 1.084 -11.369 279 HA GLU 38 HA GLU 38 -2.085 -0.791 -13.141 280 1HB GLU 38 2HB GLU 38 -1.165 1.540 -11.991 281 2HB GLU 38 1HB GLU 38 -0.038 0.334 -11.408 282 1HG GLU 38 2HG GLU 38 -0.383 -0.176 -14.145 283 2HG GLU 38 1HG GLU 38 -0.191 1.565 -13.980 284 H VAL 39 H VAL 39 -1.339 -0.565 -9.605 285 HA VAL 39 HA VAL 39 0.197 -2.876 -9.441 286 HB VAL 39 HB VAL 39 -1.766 -2.252 -7.252 287 1HG1 VAL 39 1HG1 VAL 39 -0.518 -4.030 -6.566 288 2HG1 VAL 39 2HG1 VAL 39 0.515 -2.719 -6.006 289 3HG1 VAL 39 3HG1 VAL 39 0.888 -3.553 -7.513 290 1HG2 VAL 39 1HG2 VAL 39 0.542 -0.800 -6.679 291 2HG2 VAL 39 2HG2 VAL 39 -1.046 -0.160 -7.092 292 3HG2 VAL 39 3HG2 VAL 39 0.159 -0.405 -8.354 293 H LEU 40 H LEU 40 -3.318 -2.549 -9.153 294 HA LEU 40 HA LEU 40 -3.957 -5.192 -8.581 295 1HB LEU 40 2HB LEU 40 -5.620 -3.430 -10.367 296 2HB LEU 40 1HB LEU 40 -6.171 -4.701 -9.292 297 HG LEU 40 HG LEU 40 -5.001 -2.054 -8.421 298 1HD1 LEU 40 1HD1 LEU 40 -7.749 -3.001 -8.909 299 2HD1 LEU 40 2HD1 LEU 40 -7.083 -1.369 -8.950 300 3HD1 LEU 40 3HD1 LEU 40 -7.486 -2.113 -7.408 301 1HD2 LEU 40 1HD2 LEU 40 -5.597 -4.563 -7.014 302 2HD2 LEU 40 2HD2 LEU 40 -6.193 -3.096 -6.239 303 3HD2 LEU 40 3HD2 LEU 40 -4.474 -3.267 -6.600 304 H ALA 41 H ALA 41 -3.469 -3.630 -11.715 305 HA ALA 41 HA ALA 41 -4.178 -5.826 -13.317 306 1HB ALA 41 1HB ALA 41 -2.157 -3.744 -14.076 307 2HB ALA 41 2HB ALA 41 -3.889 -3.417 -14.033 308 3HB ALA 41 3HB ALA 41 -3.248 -4.640 -15.130 309 H ALA 42 H ALA 42 -1.031 -4.706 -12.212 310 HA ALA 42 HA ALA 42 0.431 -6.849 -13.361 311 1HB ALA 42 1HB ALA 42 1.166 -4.448 -12.441 312 2HB ALA 42 2HB ALA 42 2.293 -5.793 -12.608 313 3HB ALA 42 3HB ALA 42 1.589 -5.423 -11.032 314 H LEU 43 H LEU 43 -1.261 -6.402 -10.381 315 HA LEU 43 HA LEU 43 0.009 -8.363 -8.825 316 1HB LEU 43 2HB LEU 43 -2.614 -6.973 -8.758 317 2HB LEU 43 1HB LEU 43 -2.408 -8.397 -7.755 318 HG LEU 43 HG LEU 43 -0.375 -6.211 -7.618 319 1HD1 LEU 43 1HD1 LEU 43 -2.217 -4.865 -7.281 320 2HD1 LEU 43 2HD1 LEU 43 -1.857 -5.408 -5.644 321 3HD1 LEU 43 3HD1 LEU 43 -3.150 -6.163 -6.567 322 1HD2 LEU 43 1HD2 LEU 43 -1.352 -8.453 -5.913 323 2HD2 LEU 43 2HD2 LEU 43 -0.599 -7.047 -5.158 324 3HD2 LEU 43 3HD2 LEU 43 0.298 -8.000 -6.342 325 H ALA 44 H ALA 44 -2.177 -8.606 -11.453 326 HA ALA 44 HA ALA 44 -3.430 -11.040 -10.893 327 1HB ALA 44 1HB ALA 44 -3.178 -11.093 -13.608 328 2HB ALA 44 2HB ALA 44 -2.980 -9.377 -13.260 329 3HB ALA 44 3HB ALA 44 -4.433 -10.221 -12.727 330 H SER 45 H SER 45 -0.152 -10.376 -11.593 331 HA SER 45 HA SER 45 0.338 -13.211 -12.081 332 1HB SER 45 2HB SER 45 1.441 -10.799 -13.395 333 2HB SER 45 1HB SER 45 2.569 -12.123 -13.100 334 HG SER 45 HG SER 45 1.471 -12.251 -15.140 335 H LYS 46 H LYS 46 0.603 -10.940 -9.743 336 HA LYS 46 HA LYS 46 2.484 -12.471 -8.260 337 1HB LYS 46 2HB LYS 46 3.706 -10.668 -9.891 338 2HB LYS 46 1HB LYS 46 3.492 -9.710 -8.432 339 1HG LYS 46 2HG LYS 46 4.453 -12.110 -7.482 340 2HG LYS 46 1HG LYS 46 5.342 -11.874 -8.987 341 1HD LYS 46 2HD LYS 46 5.484 -9.389 -7.913 342 2HD LYS 46 1HD LYS 46 5.472 -10.381 -6.454 343 1HE LYS 46 2HE LYS 46 7.387 -11.607 -7.186 344 2HE LYS 46 1HE LYS 46 7.318 -10.864 -8.783 345 1HZ LYS 46 1HZ LYS 46 7.621 -8.684 -7.470 346 2HZ LYS 46 2HZ LYS 46 8.967 -9.673 -7.731 347 3HZ LYS 46 3HZ LYS 46 8.190 -9.686 -6.231 348 H THR 47 H THR 47 2.790 -11.650 -6.063 349 HA THR 47 HA THR 47 0.874 -9.620 -5.264 350 HB THR 47 HB THR 47 1.045 -12.388 -4.071 351 HG1 THR 47 1HG THR 47 -0.389 -11.530 -6.044 352 1HG2 THR 47 1HG2 THR 47 -0.495 -11.810 -2.428 353 2HG2 THR 47 2HG2 THR 47 -0.893 -10.279 -3.207 354 3HG2 THR 47 3HG2 THR 47 0.668 -10.485 -2.412 355 HA PRO 48 HA PRO 48 4.653 -8.525 -3.030 356 1HB PRO 48 2HB PRO 48 3.725 -6.142 -2.107 357 2HB PRO 48 1HB PRO 48 4.329 -6.363 -3.752 358 1HG PRO 48 2HG PRO 48 1.498 -6.358 -2.764 359 2HG PRO 48 1HG PRO 48 2.184 -5.552 -4.187 360 1HD PRO 48 2HD PRO 48 0.850 -7.862 -4.391 361 2HD PRO 48 1HD PRO 48 2.238 -7.497 -5.426 362 H ASP 49 H ASP 49 5.220 -8.377 -0.820 363 HA ASP 49 HA ASP 49 3.414 -9.704 0.957 364 1HB ASP 49 2HB ASP 49 6.125 -8.452 1.437 365 2HB ASP 49 1HB ASP 49 5.246 -9.404 2.628 366 H VAL 50 H VAL 50 4.263 -6.390 0.342 367 HA VAL 50 HA VAL 50 2.306 -5.533 2.336 368 HB VAL 50 HB VAL 50 4.435 -5.464 3.516 369 1HG1 VAL 50 1HG1 VAL 50 5.445 -4.715 1.004 370 2HG1 VAL 50 2HG1 VAL 50 6.344 -4.968 2.499 371 3HG1 VAL 50 3HG1 VAL 50 5.753 -3.359 2.091 372 1HG2 VAL 50 1HG2 VAL 50 3.274 -2.802 2.741 373 2HG2 VAL 50 2HG2 VAL 50 4.520 -2.972 3.977 374 3HG2 VAL 50 3HG2 VAL 50 2.958 -3.759 4.190 375 H LEU 51 H LEU 51 0.900 -4.634 0.876 376 HA LEU 51 HA LEU 51 1.915 -2.974 -1.270 377 1HB LEU 51 2HB LEU 51 -0.005 -4.586 -1.540 378 2HB LEU 51 1HB LEU 51 -0.962 -3.506 -0.547 379 HG LEU 51 HG LEU 51 -0.778 -1.743 -2.205 380 1HD1 LEU 51 1HD1 LEU 51 1.525 -2.974 -3.009 381 2HD1 LEU 51 2HD1 LEU 51 0.689 -1.702 -3.898 382 3HD1 LEU 51 3HD1 LEU 51 0.409 -3.399 -4.302 383 1HD2 LEU 51 1HD2 LEU 51 -1.540 -3.732 -4.128 384 2HD2 LEU 51 2HD2 LEU 51 -2.552 -2.604 -3.226 385 3HD2 LEU 51 3HD2 LEU 51 -2.151 -4.176 -2.535 386 H LEU 52 H LEU 52 1.808 -0.805 -1.427 387 HA LEU 52 HA LEU 52 0.577 0.687 0.802 388 1HB LEU 52 2HB LEU 52 3.196 0.464 0.655 389 2HB LEU 52 1HB LEU 52 3.034 1.681 -0.589 390 HG LEU 52 HG LEU 52 2.190 1.969 2.294 391 1HD1 LEU 52 1HD1 LEU 52 3.978 3.859 2.027 392 2HD1 LEU 52 2HD1 LEU 52 4.573 2.824 0.730 393 3HD1 LEU 52 3HD1 LEU 52 4.466 2.201 2.376 394 1HD2 LEU 52 1HD2 LEU 52 1.409 3.439 -0.066 395 2HD2 LEU 52 2HD2 LEU 52 2.264 4.471 1.073 396 3HD2 LEU 52 3HD2 LEU 52 0.829 3.586 1.591 397 H SER 53 H SER 53 -0.846 2.220 0.145 398 HA SER 53 HA SER 53 -0.622 3.192 -2.625 399 1HB SER 53 2HB SER 53 -2.804 1.741 -1.428 400 2HB SER 53 1HB SER 53 -3.346 3.344 -1.931 401 HG SER 53 HG SER 53 -2.667 2.910 -4.000 402 H ASP 54 H ASP 54 -0.603 5.298 -2.884 403 HA ASP 54 HA ASP 54 -0.695 7.024 -0.596 404 1HB ASP 54 2HB ASP 54 0.629 7.065 -3.010 405 2HB ASP 54 1HB ASP 54 -0.580 8.330 -3.213 406 H ILE 55 H ILE 55 -3.159 5.785 -2.399 407 HA ILE 55 HA ILE 55 -5.234 6.512 -3.089 408 HB ILE 55 HB ILE 55 -5.661 6.001 -0.781 409 1HG1 ILE 55 2HG1 ILE 55 -6.972 8.669 -1.236 410 2HG1 ILE 55 1HG1 ILE 55 -7.377 7.260 -2.202 411 1HG2 ILE 55 1HG2 ILE 55 -3.872 7.506 0.139 412 2HG2 ILE 55 2HG2 ILE 55 -5.388 7.490 1.035 413 3HG2 ILE 55 3HG2 ILE 55 -5.011 8.840 -0.034 414 1HD1 ILE 55 1HD1 ILE 55 -7.852 6.100 0.024 415 2HD1 ILE 55 2HD1 ILE 55 -9.001 7.316 -0.534 416 3HD1 ILE 55 3HD1 ILE 55 -7.827 7.721 0.716 417 H ARG 56 H ARG 56 -4.978 7.937 -4.770 418 HA ARG 56 HA ARG 56 -4.949 10.795 -4.052 419 1HB ARG 56 2HB ARG 56 -3.659 9.318 -6.317 420 2HB ARG 56 1HB ARG 56 -4.060 11.022 -6.488 421 1HG ARG 56 2HG ARG 56 -2.759 10.890 -4.051 422 2HG ARG 56 1HG ARG 56 -1.869 9.761 -5.074 423 1HD ARG 56 2HD ARG 56 -1.733 11.556 -6.803 424 2HD ARG 56 1HD ARG 56 -2.450 12.662 -5.634 425 HE ARG 56 HE ARG 56 0.036 11.266 -4.956 426 1HH1 ARG 56 1HH1 ARG 56 -1.634 14.252 -5.688 427 2HH1 ARG 56 2HH1 ARG 56 -0.343 15.251 -5.117 428 1HH2 ARG 56 1HH2 ARG 56 1.728 12.589 -4.211 429 2HH2 ARG 56 2HH2 ARG 56 1.561 14.312 -4.279 430 H MET 57 H MET 57 -7.344 9.354 -4.136 431 HA MET 57 HA MET 57 -9.440 9.463 -4.961 432 1HB MET 57 2HB MET 57 -8.241 12.019 -5.489 433 2HB MET 57 1HB MET 57 -9.416 11.635 -6.739 434 1HG MET 57 2HG MET 57 -10.754 10.941 -4.465 435 2HG MET 57 1HG MET 57 -9.814 12.330 -3.933 436 1HE MET 57 1HE MET 57 -10.035 14.605 -4.628 437 2HE MET 57 2HE MET 57 -11.161 15.280 -5.806 438 3HE MET 57 3HE MET 57 -9.733 14.401 -6.353 439 HA PRO 58 HA PRO 58 -7.870 7.798 -9.175 440 1HB PRO 58 2HB PRO 58 -8.221 5.142 -8.557 441 2HB PRO 58 1HB PRO 58 -6.676 5.991 -8.437 442 1HG PRO 58 2HG PRO 58 -8.655 5.341 -6.293 443 2HG PRO 58 1HG PRO 58 -6.884 5.270 -6.245 444 1HD PRO 58 2HD PRO 58 -8.269 7.297 -5.139 445 2HD PRO 58 1HD PRO 58 -6.682 7.546 -5.890 446 H GLY 59 H GLY 59 -10.026 5.504 -7.550 447 1HA GLY 59 2HA GLY 59 -12.166 6.284 -9.429 448 2HA GLY 59 1HA GLY 59 -12.003 4.691 -8.691 449 H MET 60 H MET 60 -12.411 4.495 -6.416 450 HA MET 60 HA MET 60 -14.488 6.315 -5.487 451 1HB MET 60 2HB MET 60 -14.945 3.924 -5.214 452 2HB MET 60 1HB MET 60 -13.457 3.718 -4.306 453 1HG MET 60 2HG MET 60 -14.932 3.802 -2.579 454 2HG MET 60 1HG MET 60 -14.562 5.522 -2.733 455 1HE MET 60 1HE MET 60 -16.841 2.791 -2.697 456 2HE MET 60 2HE MET 60 -17.522 2.930 -4.317 457 3HE MET 60 3HE MET 60 -18.456 3.466 -2.920 458 H ASP 61 H ASP 61 -12.471 7.796 -5.588 459 HA ASP 61 HA ASP 61 -11.111 9.224 -4.480 460 1HB ASP 61 2HB ASP 61 -12.869 8.147 -2.442 461 2HB ASP 61 1HB ASP 61 -11.307 8.637 -1.791 462 H GLY 62 H GLY 62 -10.884 5.880 -4.058 463 1HA GLY 62 2HA GLY 62 -8.442 5.178 -4.386 464 2HA GLY 62 1HA GLY 62 -8.216 6.021 -2.860 465 H LEU 63 H LEU 63 -10.846 5.258 -1.870 466 HA LEU 63 HA LEU 63 -10.220 2.925 -0.468 467 1HB LEU 63 2HB LEU 63 -12.303 4.799 -0.517 468 2HB LEU 63 1HB LEU 63 -13.077 3.267 -0.865 469 HG LEU 63 HG LEU 63 -12.416 2.342 1.212 470 1HD1 LEU 63 1HD1 LEU 63 -10.203 2.957 1.511 471 2HD1 LEU 63 2HD1 LEU 63 -11.065 3.759 2.823 472 3HD1 LEU 63 3HD1 LEU 63 -10.562 4.680 1.403 473 1HD2 LEU 63 1HD2 LEU 63 -12.950 4.901 2.435 474 2HD2 LEU 63 2HD2 LEU 63 -13.947 3.449 2.364 475 3HD2 LEU 63 3HD2 LEU 63 -13.998 4.615 1.044 476 H ALA 64 H ALA 64 -11.682 3.489 -3.569 477 HA ALA 64 HA ALA 64 -12.914 1.053 -4.091 478 1HB ALA 64 1HB ALA 64 -12.156 3.334 -5.560 479 2HB ALA 64 2HB ALA 64 -13.256 2.047 -6.054 480 3HB ALA 64 3HB ALA 64 -11.539 1.938 -6.443 481 H LEU 65 H LEU 65 -9.516 1.963 -4.270 482 HA LEU 65 HA LEU 65 -8.436 -0.221 -5.565 483 1HB LEU 65 2HB LEU 65 -7.475 1.959 -4.091 484 2HB LEU 65 1HB LEU 65 -6.801 0.549 -3.299 485 HG LEU 65 HG LEU 65 -5.781 -0.173 -5.393 486 1HD1 LEU 65 1HD1 LEU 65 -6.403 2.355 -6.781 487 2HD1 LEU 65 2HD1 LEU 65 -7.711 1.181 -6.669 488 3HD1 LEU 65 3HD1 LEU 65 -6.185 0.728 -7.423 489 1HD2 LEU 65 1HD2 LEU 65 -5.171 2.740 -4.920 490 2HD2 LEU 65 2HD2 LEU 65 -4.084 1.498 -5.543 491 3HD2 LEU 65 3HD2 LEU 65 -4.626 1.435 -3.866 492 H LEU 66 H LEU 66 -9.068 0.146 -2.084 493 HA LEU 66 HA LEU 66 -8.158 -2.310 -1.200 494 1HB LEU 66 2HB LEU 66 -10.475 -0.652 -0.244 495 2HB LEU 66 1HB LEU 66 -9.843 -2.037 0.628 496 HG LEU 66 HG LEU 66 -8.327 0.496 -0.003 497 1HD1 LEU 66 1HD1 LEU 66 -8.821 1.236 2.054 498 2HD1 LEU 66 2HD1 LEU 66 -8.787 -0.372 2.764 499 3HD1 LEU 66 3HD1 LEU 66 -10.215 0.179 1.887 500 1HD2 LEU 66 1HD2 LEU 66 -6.712 -1.197 0.009 501 2HD2 LEU 66 2HD2 LEU 66 -7.518 -2.080 1.306 502 3HD2 LEU 66 3HD2 LEU 66 -6.693 -0.561 1.654 503 H LYS 67 H LYS 67 -11.320 -1.469 -2.532 504 HA LYS 67 HA LYS 67 -12.580 -3.931 -2.115 505 1HB LYS 67 2HB LYS 67 -12.959 -1.771 -4.174 506 2HB LYS 67 1HB LYS 67 -13.949 -3.225 -4.181 507 1HG LYS 67 2HG LYS 67 -14.593 -2.705 -1.827 508 2HG LYS 67 1HG LYS 67 -13.745 -1.167 -1.998 509 1HD LYS 67 2HD LYS 67 -15.288 -0.328 -3.489 510 2HD LYS 67 1HD LYS 67 -15.808 -1.931 -4.017 511 1HE LYS 67 2HE LYS 67 -16.300 -1.011 -1.211 512 2HE LYS 67 1HE LYS 67 -17.377 -0.517 -2.516 513 1HZ LYS 67 1HZ LYS 67 -16.883 -3.219 -1.450 514 2HZ LYS 67 2HZ LYS 67 -17.463 -3.020 -3.027 515 3HZ LYS 67 3HZ LYS 67 -18.356 -2.432 -1.717 516 H GLN 68 H GLN 68 -10.688 -2.769 -4.888 517 HA GLN 68 HA GLN 68 -10.938 -5.108 -6.448 518 1HB GLN 68 2HB GLN 68 -8.613 -3.187 -6.500 519 2HB GLN 68 1HB GLN 68 -9.166 -4.221 -7.807 520 1HG GLN 68 2HG GLN 68 -10.842 -2.004 -6.664 521 2HG GLN 68 1HG GLN 68 -9.719 -1.771 -8.009 522 1HE2 GLN 68 1HE2 GLN 68 -10.015 -3.781 -9.627 523 2HE2 GLN 68 2HE2 GLN 68 -11.645 -3.962 -10.174 524 H ILE 69 H ILE 69 -8.774 -4.169 -3.882 525 HA ILE 69 HA ILE 69 -6.726 -6.027 -4.245 526 HB ILE 69 HB ILE 69 -7.765 -4.789 -1.699 527 1HG1 ILE 69 2HG1 ILE 69 -5.357 -4.009 -3.347 528 2HG1 ILE 69 1HG1 ILE 69 -6.929 -3.274 -3.547 529 1HG2 ILE 69 1HG2 ILE 69 -6.318 -5.997 -0.533 530 2HG2 ILE 69 2HG2 ILE 69 -4.994 -5.436 -1.554 531 3HG2 ILE 69 3HG2 ILE 69 -5.895 -6.886 -1.994 532 1HD1 ILE 69 1HD1 ILE 69 -6.266 -3.171 -0.800 533 2HD1 ILE 69 2HD1 ILE 69 -6.452 -1.842 -1.946 534 3HD1 ILE 69 3HD1 ILE 69 -4.880 -2.604 -1.731 535 H LYS 70 H LYS 70 -9.693 -6.283 -2.370 536 HA LYS 70 HA LYS 70 -9.177 -8.880 -1.374 537 1HB LYS 70 2HB LYS 70 -11.469 -8.881 -0.623 538 2HB LYS 70 1HB LYS 70 -10.765 -7.299 -0.328 539 1HG LYS 70 2HG LYS 70 -12.247 -6.276 -1.632 540 2HG LYS 70 1HG LYS 70 -12.078 -7.474 -2.914 541 1HD LYS 70 2HD LYS 70 -13.628 -8.945 -1.833 542 2HD LYS 70 1HD LYS 70 -13.675 -7.919 -0.399 543 1HE LYS 70 2HE LYS 70 -14.439 -6.811 -3.068 544 2HE LYS 70 1HE LYS 70 -15.593 -7.775 -2.149 545 1HZ LYS 70 1HZ LYS 70 -15.635 -6.225 -0.432 546 2HZ LYS 70 2HZ LYS 70 -15.616 -5.264 -1.824 547 3HZ LYS 70 3HZ LYS 70 -14.200 -5.476 -0.927 548 H GLN 71 H GLN 71 -10.606 -7.683 -4.289 549 HA GLN 71 HA GLN 71 -11.727 -10.213 -5.047 550 1HB GLN 71 2HB GLN 71 -11.535 -7.529 -6.368 551 2HB GLN 71 1HB GLN 71 -12.100 -8.936 -7.257 552 1HG GLN 71 2HG GLN 71 -14.039 -9.098 -6.038 553 2HG GLN 71 1HG GLN 71 -13.362 -8.256 -4.646 554 1HE2 GLN 71 1HE2 GLN 71 -12.482 -5.956 -5.515 555 2HE2 GLN 71 2HE2 GLN 71 -13.723 -5.018 -6.265 556 H ARG 72 H ARG 72 -8.883 -8.347 -5.740 557 HA ARG 72 HA ARG 72 -8.023 -10.150 -7.841 558 1HB ARG 72 2HB ARG 72 -6.686 -7.731 -6.655 559 2HB ARG 72 1HB ARG 72 -6.092 -8.635 -8.042 560 1HG ARG 72 2HG ARG 72 -8.773 -7.944 -8.587 561 2HG ARG 72 1HG ARG 72 -7.979 -6.502 -7.951 562 1HD ARG 72 2HD ARG 72 -7.606 -6.416 -10.263 563 2HD ARG 72 1HD ARG 72 -6.096 -7.022 -9.587 564 HE ARG 72 HE ARG 72 -6.479 -9.061 -10.595 565 1HH1 ARG 72 1HH1 ARG 72 -9.309 -7.041 -10.899 566 2HH1 ARG 72 2HH1 ARG 72 -10.078 -8.080 -12.051 567 1HH2 ARG 72 1HH2 ARG 72 -7.490 -10.432 -12.099 568 2HH2 ARG 72 2HH2 ARG 72 -9.044 -10.006 -12.735 569 H HIS 73 H HIS 73 -6.415 -8.866 -4.978 570 HA HIS 73 HA HIS 73 -4.806 -11.295 -4.859 571 1HB HIS 73 2HB HIS 73 -3.944 -9.605 -2.811 572 2HB HIS 73 1HB HIS 73 -3.158 -9.884 -4.355 573 HD1 HIS 73 1HD HIS 73 -3.838 -7.198 -2.380 574 HD2 HIS 73 2HD HIS 73 -4.812 -7.975 -6.320 575 HE1 HIS 73 1HE HIS 73 -4.129 -4.959 -3.440 576 HE2 HIS 73 2HE HIS 73 -4.610 -5.449 -5.849 577 HA PRO 74 HA PRO 74 -6.829 -12.667 -1.183 578 1HB PRO 74 2HB PRO 74 -5.113 -14.561 -0.424 579 2HB PRO 74 1HB PRO 74 -5.972 -14.668 -1.965 580 1HG PRO 74 2HG PRO 74 -3.130 -14.044 -1.434 581 2HG PRO 74 1HG PRO 74 -3.878 -14.741 -2.880 582 1HD PRO 74 2HD PRO 74 -3.129 -12.007 -2.411 583 2HD PRO 74 1HD PRO 74 -3.875 -12.704 -3.862 584 H MET 75 H MET 75 -6.876 -11.069 0.371 585 HA MET 75 HA MET 75 -6.421 -10.004 2.320 586 1HB MET 75 2HB MET 75 -5.027 -12.622 2.570 587 2HB MET 75 1HB MET 75 -4.879 -11.434 3.858 588 1HG MET 75 2HG MET 75 -7.545 -11.446 3.524 589 2HG MET 75 1HG MET 75 -7.163 -13.101 3.050 590 1HE MET 75 1HE MET 75 -8.718 -13.887 4.921 591 2HE MET 75 2HE MET 75 -9.018 -12.342 5.713 592 3HE MET 75 3HE MET 75 -8.421 -13.711 6.650 593 H LEU 76 H LEU 76 -4.521 -9.583 -0.011 594 HA LEU 76 HA LEU 76 -1.896 -9.275 0.922 595 1HB LEU 76 2HB LEU 76 -2.975 -8.993 -1.466 596 2HB LEU 76 1HB LEU 76 -3.027 -7.309 -0.992 597 HG LEU 76 HG LEU 76 -0.531 -8.990 -1.090 598 1HD1 LEU 76 1HD1 LEU 76 -0.158 -8.278 -3.184 599 2HD1 LEU 76 2HD1 LEU 76 -0.900 -6.704 -2.902 600 3HD1 LEU 76 3HD1 LEU 76 -1.911 -8.113 -3.232 601 1HD2 LEU 76 1HD2 LEU 76 -0.025 -7.372 0.457 602 2HD2 LEU 76 2HD2 LEU 76 -1.133 -6.197 -0.248 603 3HD2 LEU 76 3HD2 LEU 76 0.406 -6.542 -1.038 604 HA PRO 77 HA PRO 77 -2.746 -5.987 3.912 605 1HB PRO 77 2HB PRO 77 0.218 -6.042 4.080 606 2HB PRO 77 1HB PRO 77 -0.986 -6.151 5.370 607 1HG PRO 77 2HG PRO 77 0.360 -8.312 4.614 608 2HG PRO 77 1HG PRO 77 -1.370 -8.414 5.000 609 1HD PRO 77 2HD PRO 77 -0.032 -8.318 2.316 610 2HD PRO 77 1HD PRO 77 -1.382 -9.336 2.864 611 H VAL 78 H VAL 78 -3.222 -4.102 3.074 612 HA VAL 78 HA VAL 78 -1.284 -2.688 1.391 613 HB VAL 78 HB VAL 78 -4.262 -2.227 1.451 614 1HG1 VAL 78 1HG1 VAL 78 -2.732 -0.388 0.656 615 2HG1 VAL 78 2HG1 VAL 78 -3.954 -0.921 -0.498 616 3HG1 VAL 78 3HG1 VAL 78 -2.280 -1.452 -0.676 617 1HG2 VAL 78 1HG2 VAL 78 -2.937 -4.463 0.410 618 2HG2 VAL 78 2HG2 VAL 78 -3.320 -3.446 -0.976 619 3HG2 VAL 78 3HG2 VAL 78 -4.602 -3.969 0.116 620 H ILE 79 H ILE 79 -0.873 -0.511 1.801 621 HA ILE 79 HA ILE 79 -1.968 0.523 4.335 622 HB ILE 79 HB ILE 79 0.741 1.213 3.212 623 1HG1 ILE 79 2HG1 ILE 79 0.946 -0.319 5.599 624 2HG1 ILE 79 1HG1 ILE 79 -0.094 -1.205 4.490 625 1HG2 ILE 79 1HG2 ILE 79 -0.803 2.459 5.140 626 2HG2 ILE 79 2HG2 ILE 79 0.933 2.654 4.901 627 3HG2 ILE 79 3HG2 ILE 79 0.331 1.477 6.069 628 1HD1 ILE 79 1HD1 ILE 79 2.644 -0.163 3.805 629 2HD1 ILE 79 2HD1 ILE 79 1.622 -1.199 2.807 630 3HD1 ILE 79 3HD1 ILE 79 2.284 -1.809 4.323 631 H ILE 80 H ILE 80 -3.381 2.062 3.909 632 HA ILE 80 HA ILE 80 -2.932 3.836 1.613 633 HB ILE 80 HB ILE 80 -5.440 3.622 3.260 634 1HG1 ILE 80 2HG1 ILE 80 -4.926 1.413 2.329 635 2HG1 ILE 80 1HG1 ILE 80 -6.307 2.121 1.502 636 1HG2 ILE 80 1HG2 ILE 80 -4.872 4.694 0.497 637 2HG2 ILE 80 2HG2 ILE 80 -5.251 5.638 1.939 638 3HG2 ILE 80 3HG2 ILE 80 -6.470 4.582 1.231 639 1HD1 ILE 80 1HD1 ILE 80 -5.062 2.564 -0.429 640 2HD1 ILE 80 2HD1 ILE 80 -4.583 0.942 0.075 641 3HD1 ILE 80 3HD1 ILE 80 -3.528 2.316 0.404 642 H MET 81 H MET 81 -2.993 6.068 1.809 643 HA MET 81 HA MET 81 -1.987 7.130 4.248 644 1HB MET 81 2HB MET 81 -1.318 8.087 2.137 645 2HB MET 81 1HB MET 81 -2.982 8.491 1.739 646 1HG MET 81 2HG MET 81 -2.870 9.905 3.918 647 2HG MET 81 1HG MET 81 -1.128 9.780 3.684 648 1HE MET 81 1HE MET 81 -1.610 12.617 3.753 649 2HE MET 81 2HE MET 81 -3.347 12.326 3.654 650 3HE MET 81 3HE MET 81 -2.564 13.398 2.492 651 H THR 82 H THR 82 -4.795 8.484 2.529 652 HA THR 82 HA THR 82 -6.109 8.839 5.137 653 HB THR 82 HB THR 82 -6.858 10.261 2.589 654 HG1 THR 82 1HG THR 82 -5.501 11.958 3.360 655 1HG2 THR 82 1HG2 THR 82 -7.704 10.427 5.351 656 2HG2 THR 82 2HG2 THR 82 -8.437 11.102 3.896 657 3HG2 THR 82 3HG2 THR 82 -7.148 11.977 4.722 658 H ALA 83 H ALA 83 -8.459 8.623 5.219 659 HA ALA 83 HA ALA 83 -9.326 6.279 3.747 660 1HB ALA 83 1HB ALA 83 -9.702 6.304 6.129 661 2HB ALA 83 2HB ALA 83 -11.250 6.301 5.285 662 3HB ALA 83 3HB ALA 83 -10.637 7.794 5.996 663 H HIS 84 H HIS 84 -9.730 9.660 3.542 664 HA HIS 84 HA HIS 84 -11.103 11.030 2.360 665 1HB HIS 84 2HB HIS 84 -10.644 8.648 0.628 666 2HB HIS 84 1HB HIS 84 -11.713 9.927 0.061 667 HD1 HIS 84 1HD HIS 84 -9.775 12.144 1.534 668 HD2 HIS 84 2HD HIS 84 -8.782 9.340 -1.361 669 HE1 HIS 84 1HE HIS 84 -7.702 13.030 0.422 670 HE2 HIS 84 2HE HIS 84 -7.094 11.297 -1.302 671 H SER 85 H SER 85 -12.732 8.211 1.029 672 HA SER 85 HA SER 85 -15.274 9.267 1.885 673 1HB SER 85 2HB SER 85 -14.396 7.004 0.119 674 2HB SER 85 1HB SER 85 -16.063 7.075 0.683 675 HG SER 85 HG SER 85 -15.806 8.143 -1.316 676 H ASP 86 H ASP 86 -16.826 7.091 2.346 677 HA ASP 86 HA ASP 86 -16.796 6.632 5.001 678 1HB ASP 86 2HB ASP 86 -17.635 4.730 2.814 679 2HB ASP 86 1HB ASP 86 -17.987 4.461 4.518 680 H LEU 87 H LEU 87 -15.151 6.062 6.242 681 HA LEU 87 HA LEU 87 -12.900 4.621 5.622 682 1HB LEU 87 2HB LEU 87 -14.178 5.582 7.989 683 2HB LEU 87 1HB LEU 87 -13.596 3.956 8.294 684 HG LEU 87 HG LEU 87 -11.932 6.293 7.356 685 1HD1 LEU 87 1HD1 LEU 87 -11.227 4.951 9.845 686 2HD1 LEU 87 2HD1 LEU 87 -12.812 5.724 9.892 687 3HD1 LEU 87 3HD1 LEU 87 -11.381 6.671 9.485 688 1HD2 LEU 87 1HD2 LEU 87 -10.811 4.545 6.393 689 2HD2 LEU 87 2HD2 LEU 87 -11.367 3.380 7.596 690 3HD2 LEU 87 3HD2 LEU 87 -10.095 4.532 8.005 691 H ASP 88 H ASP 88 -16.093 3.435 6.046 692 HA ASP 88 HA ASP 88 -15.812 0.895 6.981 693 1HB ASP 88 2HB ASP 88 -17.932 2.092 6.239 694 2HB ASP 88 1HB ASP 88 -17.574 1.502 4.618 695 H ALA 89 H ALA 89 -15.190 1.905 3.589 696 HA ALA 89 HA ALA 89 -14.605 -0.781 2.818 697 1HB ALA 89 1HB ALA 89 -13.780 0.220 0.692 698 2HB ALA 89 2HB ALA 89 -14.095 1.817 1.366 699 3HB ALA 89 3HB ALA 89 -15.425 0.696 1.110 700 H ALA 90 H ALA 90 -12.893 1.751 4.348 701 HA ALA 90 HA ALA 90 -10.254 0.828 3.681 702 1HB ALA 90 1HB ALA 90 -9.729 2.335 5.783 703 2HB ALA 90 2HB ALA 90 -11.354 2.941 5.444 704 3HB ALA 90 3HB ALA 90 -10.100 3.035 4.209 705 H VAL 91 H VAL 91 -12.109 0.917 6.711 706 HA VAL 91 HA VAL 91 -10.390 -0.679 8.197 707 HB VAL 91 HB VAL 91 -13.372 -0.569 8.588 708 1HG1 VAL 91 1HG1 VAL 91 -12.113 -0.540 11.042 709 2HG1 VAL 91 2HG1 VAL 91 -11.126 -1.655 10.092 710 3HG1 VAL 91 3HG1 VAL 91 -12.860 -1.941 10.274 711 1HG2 VAL 91 1HG2 VAL 91 -12.060 1.276 10.277 712 2HG2 VAL 91 2HG2 VAL 91 -13.208 1.612 8.982 713 3HG2 VAL 91 3HG2 VAL 91 -11.480 1.571 8.637 714 H SER 92 H SER 92 -13.434 -1.658 6.636 715 HA SER 92 HA SER 92 -13.306 -4.367 7.190 716 1HB SER 92 2HB SER 92 -14.883 -4.698 5.425 717 2HB SER 92 1HB SER 92 -15.229 -3.112 6.115 718 HG SER 92 HG SER 92 -13.862 -2.275 4.368 719 H ALA 93 H ALA 93 -11.511 -2.501 4.875 720 HA ALA 93 HA ALA 93 -10.685 -4.500 3.125 721 1HB ALA 93 1HB ALA 93 -8.732 -2.404 3.861 722 2HB ALA 93 2HB ALA 93 -10.271 -1.886 3.178 723 3HB ALA 93 3HB ALA 93 -9.227 -2.978 2.269 724 H TYR 94 H TYR 94 -9.245 -3.389 6.138 725 HA TYR 94 HA TYR 94 -6.930 -4.856 6.185 726 1HB TYR 94 2HB TYR 94 -8.641 -4.577 8.651 727 2HB TYR 94 1HB TYR 94 -6.887 -4.642 8.550 728 HD1 TYR 94 1HD TYR 94 -6.426 -2.642 6.385 729 HD2 TYR 94 2HD TYR 94 -9.025 -2.546 9.748 730 HE1 TYR 94 1HE TYR 94 -6.324 -0.188 6.381 731 HE2 TYR 94 2HE TYR 94 -8.928 -0.092 9.758 732 HH TYR 94 HH TYR 94 -8.417 1.733 8.357 733 H GLN 95 H GLN 95 -10.166 -5.949 6.570 734 HA GLN 95 HA GLN 95 -9.498 -8.514 7.660 735 1HB GLN 95 2HB GLN 95 -11.731 -8.772 7.931 736 2HB GLN 95 1HB GLN 95 -11.781 -7.050 7.591 737 1HG GLN 95 2HG GLN 95 -11.939 -8.057 5.083 738 2HG GLN 95 1HG GLN 95 -12.743 -9.326 5.999 739 1HE2 GLN 95 1HE2 GLN 95 -13.802 -7.481 4.041 740 2HE2 GLN 95 2HE2 GLN 95 -15.069 -6.607 4.827 741 H GLN 96 H GLN 96 -10.234 -7.229 4.477 742 HA GLN 96 HA GLN 96 -9.837 -9.842 3.280 743 1HB GLN 96 2HB GLN 96 -10.716 -8.748 1.216 744 2HB GLN 96 1HB GLN 96 -11.835 -8.761 2.573 745 1HG GLN 96 2HG GLN 96 -10.842 -6.398 3.045 746 2HG GLN 96 1HG GLN 96 -10.369 -6.473 1.351 747 1HE2 GLN 96 1HE2 GLN 96 -11.782 -4.714 0.967 748 2HE2 GLN 96 2HE2 GLN 96 -13.485 -4.962 0.825 749 H GLY 97 H GLY 97 -7.789 -7.476 4.125 750 1HA GLY 97 2HA GLY 97 -5.490 -7.972 3.194 751 2HA GLY 97 1HA GLY 97 -6.229 -7.705 1.624 752 H ALA 98 H ALA 98 -5.425 -6.140 4.686 753 HA ALA 98 HA ALA 98 -4.422 -3.833 3.435 754 1HB ALA 98 1HB ALA 98 -6.453 -2.933 2.975 755 2HB ALA 98 2HB ALA 98 -6.205 -2.302 4.600 756 3HB ALA 98 3HB ALA 98 -7.229 -3.710 4.347 757 H PHE 99 H PHE 99 -2.923 -3.032 4.760 758 HA PHE 99 HA PHE 99 -2.576 -4.099 7.353 759 1HB PHE 99 2HB PHE 99 -0.760 -3.356 5.779 760 2HB PHE 99 1HB PHE 99 -1.180 -1.697 6.188 761 HD1 PHE 99 1HD PHE 99 -0.798 -4.781 8.254 762 HD2 PHE 99 2HD PHE 99 0.476 -0.797 7.477 763 HE1 PHE 99 1HE PHE 99 0.705 -4.887 10.201 764 HE2 PHE 99 2HE PHE 99 1.977 -0.893 9.423 765 HZ PHE 99 HZ PHE 99 2.094 -2.940 10.785 766 H ASP 100 H ASP 100 -3.282 -0.744 6.301 767 HA ASP 100 HA ASP 100 -5.122 -0.213 8.338 768 1HB ASP 100 2HB ASP 100 -2.481 -0.281 9.319 769 2HB ASP 100 1HB ASP 100 -2.933 1.420 9.248 770 H TYR 101 H TYR 101 -4.838 2.401 8.897 771 HA TYR 101 HA TYR 101 -4.422 3.773 6.336 772 1HB TYR 101 2HB TYR 101 -6.955 3.469 7.818 773 2HB TYR 101 1HB TYR 101 -6.586 5.118 7.324 774 HD1 TYR 101 1HD TYR 101 -6.809 1.651 5.968 775 HD2 TYR 101 2HD TYR 101 -7.102 5.814 5.160 776 HE1 TYR 101 1HE TYR 101 -7.590 1.150 3.690 777 HE2 TYR 101 2HE TYR 101 -7.897 5.322 2.889 778 HH TYR 101 HH TYR 101 -8.068 3.704 1.307 779 H LEU 102 H LEU 102 -4.022 6.055 6.528 780 HA LEU 102 HA LEU 102 -2.878 6.743 9.140 781 1HB LEU 102 2HB LEU 102 -2.236 7.441 6.335 782 2HB LEU 102 1HB LEU 102 -1.971 8.695 7.530 783 HG LEU 102 HG LEU 102 -0.412 7.311 8.731 784 1HD1 LEU 102 1HD1 LEU 102 0.095 5.097 7.221 785 2HD1 LEU 102 2HD1 LEU 102 -1.666 5.190 7.176 786 3HD1 LEU 102 3HD1 LEU 102 -0.826 5.124 8.725 787 1HD2 LEU 102 1HD2 LEU 102 1.350 7.282 7.190 788 2HD2 LEU 102 2HD2 LEU 102 0.260 8.542 6.608 789 3HD2 LEU 102 3HD2 LEU 102 0.270 6.956 5.834 790 HA PRO 103 HA PRO 103 -6.313 9.554 9.658 791 1HB PRO 103 2HB PRO 103 -5.441 10.699 11.971 792 2HB PRO 103 1HB PRO 103 -6.221 9.117 11.903 793 1HG PRO 103 2HG PRO 103 -3.321 9.794 12.122 794 2HG PRO 103 1HG PRO 103 -4.235 8.498 12.910 795 1HD PRO 103 2HD PRO 103 -2.644 8.100 10.736 796 2HD PRO 103 1HD PRO 103 -4.069 7.107 11.097 797 H LYS 104 H LYS 104 -3.126 10.888 10.562 798 HA LYS 104 HA LYS 104 -3.653 13.123 8.748 799 1HB LYS 104 2HB LYS 104 -4.116 13.637 11.234 800 2HB LYS 104 1HB LYS 104 -2.370 13.622 11.417 801 1HG LYS 104 2HG LYS 104 -2.115 15.433 9.890 802 2HG LYS 104 1HG LYS 104 -3.822 15.363 9.444 803 1HD LYS 104 2HD LYS 104 -3.143 15.767 12.310 804 2HD LYS 104 1HD LYS 104 -2.901 17.118 11.202 805 1HE LYS 104 2HE LYS 104 -5.085 17.366 12.054 806 2HE LYS 104 1HE LYS 104 -5.272 16.733 10.418 807 1HZ LYS 104 1HZ LYS 104 -5.212 14.918 12.744 808 2HZ LYS 104 2HZ LYS 104 -5.870 14.653 11.209 809 3HZ LYS 104 3HZ LYS 104 -6.645 15.696 12.292 810 HA PRO 105 HA PRO 105 1.181 12.818 9.451 811 1HB PRO 105 2HB PRO 105 1.318 10.071 10.584 812 2HB PRO 105 1HB PRO 105 2.293 11.496 10.966 813 1HG PRO 105 2HG PRO 105 0.424 10.656 12.658 814 2HG PRO 105 1HG PRO 105 0.668 12.391 12.367 815 1HD PRO 105 2HD PRO 105 -1.452 10.569 11.293 816 2HD PRO 105 1HD PRO 105 -1.597 12.234 11.887 817 H PHE 106 H PHE 106 2.667 11.742 8.024 818 HA PHE 106 HA PHE 106 1.951 9.365 6.632 819 1HB PHE 106 2HB PHE 106 0.347 10.885 5.545 820 2HB PHE 106 1HB PHE 106 1.655 11.976 5.109 821 HD1 PHE 106 1HD PHE 106 0.758 8.377 4.742 822 HD2 PHE 106 2HD PHE 106 2.468 11.830 2.948 823 HE1 PHE 106 1HE PHE 106 1.096 7.115 2.667 824 HE2 PHE 106 2HE PHE 106 2.807 10.576 0.861 825 HZ PHE 106 HZ PHE 106 2.121 8.214 0.718 826 H ASP 107 H ASP 107 3.440 11.749 4.619 827 HA ASP 107 HA ASP 107 5.527 11.736 3.681 828 1HB ASP 107 2HB ASP 107 7.277 12.421 5.239 829 2HB ASP 107 1HB ASP 107 5.774 13.268 5.590 830 H ILE 108 H ILE 108 7.912 10.785 4.032 831 HA ILE 108 HA ILE 108 7.613 7.985 3.753 832 HB ILE 108 HB ILE 108 9.675 9.860 3.235 833 1HG1 ILE 108 2HG1 ILE 108 10.455 8.062 1.757 834 2HG1 ILE 108 1HG1 ILE 108 9.387 6.931 2.575 835 1HG2 ILE 108 1HG2 ILE 108 10.888 9.190 5.159 836 2HG2 ILE 108 2HG2 ILE 108 11.616 8.343 3.794 837 3HG2 ILE 108 3HG2 ILE 108 10.520 7.491 4.877 838 1HD1 ILE 108 1HD1 ILE 108 7.567 7.656 1.486 839 2HD1 ILE 108 2HD1 ILE 108 8.757 8.206 0.303 840 3HD1 ILE 108 3HD1 ILE 108 8.099 9.338 1.485 841 H ASP 109 H ASP 109 8.833 10.002 6.325 842 HA ASP 109 HA ASP 109 9.944 8.148 8.010 843 1HB ASP 109 2HB ASP 109 9.786 10.661 8.343 844 2HB ASP 109 1HB ASP 109 8.183 10.379 9.013 845 H GLU 110 H GLU 110 6.516 9.191 8.180 846 HA GLU 110 HA GLU 110 5.875 7.056 9.950 847 1HB GLU 110 2HB GLU 110 4.104 9.010 8.490 848 2HB GLU 110 1HB GLU 110 3.517 7.832 9.649 849 1HG GLU 110 2HG GLU 110 5.624 9.833 10.369 850 2HG GLU 110 1HG GLU 110 3.905 10.217 10.452 851 H ALA 111 H ALA 111 5.638 7.579 6.515 852 HA ALA 111 HA ALA 111 3.880 5.440 5.942 853 1HB ALA 111 1HB ALA 111 5.981 6.606 4.120 854 2HB ALA 111 2HB ALA 111 4.376 7.292 4.374 855 3HB ALA 111 3HB ALA 111 4.546 5.696 3.646 856 H VAL 112 H VAL 112 7.422 5.655 5.491 857 HA VAL 112 HA VAL 112 7.811 2.929 4.973 858 HB VAL 112 HB VAL 112 9.789 4.808 6.261 859 1HG1 VAL 112 1HG1 VAL 112 11.293 3.165 6.136 860 2HG1 VAL 112 2HG1 VAL 112 10.846 2.791 4.472 861 3HG1 VAL 112 3HG1 VAL 112 9.950 2.069 5.810 862 1HG2 VAL 112 1HG2 VAL 112 10.522 4.676 3.661 863 2HG2 VAL 112 2HG2 VAL 112 9.504 5.949 4.332 864 3HG2 VAL 112 3HG2 VAL 112 8.767 4.576 3.507 865 H ALA 113 H ALA 113 7.495 4.708 7.919 866 HA ALA 113 HA ALA 113 8.500 2.801 9.733 867 1HB ALA 113 1HB ALA 113 7.291 4.041 11.420 868 2HB ALA 113 2HB ALA 113 6.304 4.813 10.177 869 3HB ALA 113 3HB ALA 113 8.028 5.168 10.285 870 H LEU 114 H LEU 114 5.279 3.456 8.481 871 HA LEU 114 HA LEU 114 4.043 1.317 9.892 872 1HB LEU 114 2HB LEU 114 2.890 3.408 9.305 873 2HB LEU 114 1HB LEU 114 3.029 2.993 7.609 874 HG LEU 114 HG LEU 114 1.617 0.953 8.098 875 1HD1 LEU 114 1HD1 LEU 114 1.890 0.747 10.463 876 2HD1 LEU 114 2HD1 LEU 114 0.201 1.142 10.144 877 3HD1 LEU 114 3HD1 LEU 114 1.303 2.389 10.725 878 1HD2 LEU 114 1HD2 LEU 114 0.866 3.263 7.206 879 2HD2 LEU 114 2HD2 LEU 114 0.144 3.460 8.803 880 3HD2 LEU 114 3HD2 LEU 114 -0.359 2.125 7.769 881 H VAL 115 H VAL 115 5.663 1.606 6.851 882 HA VAL 115 HA VAL 115 4.378 -0.708 5.724 883 HB VAL 115 HB VAL 115 5.356 1.160 4.311 884 1HG1 VAL 115 1HG1 VAL 115 7.630 1.276 3.849 885 2HG1 VAL 115 2HG1 VAL 115 7.952 -0.317 4.534 886 3HG1 VAL 115 3HG1 VAL 115 7.587 1.040 5.592 887 1HG2 VAL 115 1HG2 VAL 115 6.189 -0.483 2.575 888 2HG2 VAL 115 2HG2 VAL 115 4.583 -0.794 3.232 889 3HG2 VAL 115 3HG2 VAL 115 5.963 -1.736 3.793 890 H GLU 116 H GLU 116 7.471 -0.031 7.289 891 HA GLU 116 HA GLU 116 8.580 -2.606 6.885 892 1HB GLU 116 2HB GLU 116 9.189 -0.477 8.936 893 2HB GLU 116 1HB GLU 116 10.112 -1.965 8.777 894 1HG GLU 116 2HG GLU 116 10.508 -1.293 6.367 895 2HG GLU 116 1HG GLU 116 9.871 0.289 6.814 896 H ARG 117 H ARG 117 6.894 -1.153 9.669 897 HA ARG 117 HA ARG 117 7.041 -3.390 11.336 898 1HB ARG 117 2HB ARG 117 5.216 -2.391 12.614 899 2HB ARG 117 1HB ARG 117 6.405 -1.181 12.168 900 1HG ARG 117 2HG ARG 117 4.962 -0.344 10.425 901 2HG ARG 117 1HG ARG 117 3.787 -1.621 10.750 902 1HD ARG 117 2HD ARG 117 2.813 -0.094 12.080 903 2HD ARG 117 1HD ARG 117 4.085 -0.519 13.221 904 HE ARG 117 HE ARG 117 3.998 1.865 11.517 905 1HH1 ARG 117 1HH1 ARG 117 5.481 0.099 14.142 906 2HH1 ARG 117 2HH1 ARG 117 6.519 1.408 14.588 907 1HH2 ARG 117 1HH2 ARG 117 5.366 3.573 12.107 908 2HH2 ARG 117 2HH2 ARG 117 6.454 3.377 13.441 909 H ALA 118 H ALA 118 5.098 -2.791 8.569 910 HA ALA 118 HA ALA 118 3.023 -4.650 9.141 911 1HB ALA 118 1HB ALA 118 3.147 -2.683 7.399 912 2HB ALA 118 2HB ALA 118 2.156 -4.110 7.090 913 3HB ALA 118 3HB ALA 118 3.745 -3.958 6.339 914 H ILE 119 H ILE 119 6.017 -4.793 7.243 915 HA ILE 119 HA ILE 119 5.639 -7.466 6.369 916 HB ILE 119 HB ILE 119 8.248 -5.973 6.542 917 1HG1 ILE 119 2HG1 ILE 119 6.769 -6.053 3.986 918 2HG1 ILE 119 1HG1 ILE 119 6.081 -5.015 5.231 919 1HG2 ILE 119 1HG2 ILE 119 7.312 -8.351 4.971 920 2HG2 ILE 119 2HG2 ILE 119 8.705 -8.215 6.043 921 3HG2 ILE 119 3HG2 ILE 119 8.710 -7.393 4.481 922 1HD1 ILE 119 1HD1 ILE 119 8.930 -4.885 4.291 923 2HD1 ILE 119 2HD1 ILE 119 8.119 -3.774 5.394 924 3HD1 ILE 119 3HD1 ILE 119 7.630 -3.850 3.702 925 H SER 120 H SER 120 7.157 -5.983 9.112 926 HA SER 120 HA SER 120 8.593 -8.271 9.987 927 1HB SER 120 2HB SER 120 8.914 -5.753 10.609 928 2HB SER 120 1HB SER 120 7.712 -6.093 11.852 929 HG SER 120 HG SER 120 10.223 -6.499 12.089 930 H HIS 121 H HIS 121 5.520 -6.791 10.953 931 HA HIS 121 HA HIS 121 4.891 -8.679 12.953 932 1HB HIS 121 2HB HIS 121 3.213 -6.765 11.344 933 2HB HIS 121 1HB HIS 121 2.516 -7.811 12.579 934 HD1 HIS 121 1HD HIS 121 5.575 -7.093 14.041 935 HD2 HIS 121 2HD HIS 121 2.201 -4.779 13.319 936 HE1 HIS 121 1HE HIS 121 5.724 -5.167 15.652 937 HE2 HIS 121 2HE HIS 121 3.718 -3.732 15.134 938 H TYR 122 H TYR 122 4.637 -8.748 9.520 939 HA TYR 122 HA TYR 122 2.644 -10.761 9.315 940 1HB TYR 122 2HB TYR 122 3.329 -9.148 7.488 941 2HB TYR 122 1HB TYR 122 4.775 -10.127 7.272 942 HD1 TYR 122 1HD TYR 122 4.582 -11.238 5.251 943 HD2 TYR 122 2HD TYR 122 1.206 -11.077 7.835 944 HE1 TYR 122 1HE TYR 122 3.352 -12.724 3.727 945 HE2 TYR 122 2HE TYR 122 -0.034 -12.563 6.318 946 HH TYR 122 HH TYR 122 0.071 -13.143 3.818 947 H GLN 123 H GLN 123 6.191 -10.827 9.058 948 HA GLN 123 HA GLN 123 6.299 -13.667 8.823 949 1HB GLN 123 2HB GLN 123 8.015 -11.780 8.099 950 2HB GLN 123 1HB GLN 123 8.674 -12.097 9.698 951 1HG GLN 123 2HG GLN 123 9.476 -14.120 9.120 952 2HG GLN 123 1HG GLN 123 8.135 -14.463 8.028 953 1HE2 GLN 123 1HE2 GLN 123 8.141 -13.335 5.955 954 2HE2 GLN 123 2HE2 GLN 123 9.656 -12.988 5.202 955 H GLU 124 H GLU 124 7.950 -14.807 10.400 956 HA GLU 124 HA GLU 124 7.336 -14.065 13.173 957 1HB GLU 124 2HB GLU 124 7.109 -16.868 12.063 958 2HB GLU 124 1HB GLU 124 6.853 -16.394 13.736 959 1HG GLU 124 2HG GLU 124 5.216 -15.048 11.667 960 2HG GLU 124 1HG GLU 124 4.858 -16.736 12.029 Start of MODEL 14 1 1H MET 1 1HT MET 1 12.478 -16.820 7.631 2 2H MET 1 2HT MET 1 11.440 -16.102 6.466 3 3H MET 1 3HT MET 1 12.655 -15.165 7.235 4 HA MET 1 HA MET 1 14.311 -15.999 6.022 5 1HB MET 1 2HB MET 1 13.168 -18.393 6.703 6 2HB MET 1 1HB MET 1 12.946 -18.385 4.960 7 1HG MET 1 2HG MET 1 15.488 -17.691 4.989 8 2HG MET 1 1HG MET 1 15.443 -18.497 6.556 9 1HE MET 1 1HE MET 1 15.270 -19.479 2.458 10 2HE MET 1 2HE MET 1 13.863 -18.724 3.208 11 3HE MET 1 3HE MET 1 13.829 -20.439 2.799 12 H GLN 2 H GLN 2 11.955 -14.412 5.309 13 HA GLN 2 HA GLN 2 11.664 -15.050 2.462 14 1HB GLN 2 2HB GLN 2 9.922 -13.864 4.469 15 2HB GLN 2 1HB GLN 2 10.003 -12.898 3.001 16 1HG GLN 2 2HG GLN 2 8.225 -14.319 2.608 17 2HG GLN 2 1HG GLN 2 9.563 -15.101 1.766 18 1HE2 GLN 2 1HE2 GLN 2 7.643 -15.141 4.709 19 2HE2 GLN 2 2HE2 GLN 2 7.899 -16.810 5.075 20 H ARG 3 H ARG 3 12.172 -13.629 0.870 21 HA ARG 3 HA ARG 3 14.323 -11.887 1.267 22 1HB ARG 3 2HB ARG 3 13.780 -11.083 -1.070 23 2HB ARG 3 1HB ARG 3 14.040 -12.814 -0.904 24 1HG ARG 3 2HG ARG 3 11.552 -13.082 -0.781 25 2HG ARG 3 1HG ARG 3 11.415 -11.375 -1.186 26 1HD ARG 3 2HD ARG 3 12.253 -11.684 -3.328 27 2HD ARG 3 1HD ARG 3 13.024 -13.214 -2.909 28 HE ARG 3 HE ARG 3 10.453 -13.832 -2.590 29 1HH1 ARG 3 1HH1 ARG 3 12.064 -12.159 -5.201 30 2HH1 ARG 3 2HH1 ARG 3 10.933 -12.689 -6.399 31 1HH2 ARG 3 1HH2 ARG 3 8.972 -14.525 -4.164 32 2HH2 ARG 3 2HH2 ARG 3 9.178 -14.031 -5.812 33 H GLY 4 H GLY 4 10.924 -11.212 0.671 34 1HA GLY 4 2HA GLY 4 9.731 -9.483 1.817 35 2HA GLY 4 1HA GLY 4 11.252 -8.622 2.017 36 H ILE 5 H ILE 5 8.414 -8.764 0.264 37 HA ILE 5 HA ILE 5 9.589 -7.114 -1.878 38 HB ILE 5 HB ILE 5 7.111 -8.771 -2.251 39 1HG1 ILE 5 2HG1 ILE 5 8.792 -10.397 -1.717 40 2HG1 ILE 5 1HG1 ILE 5 8.588 -10.408 -3.465 41 1HG2 ILE 5 1HG2 ILE 5 8.846 -8.253 -4.533 42 2HG2 ILE 5 2HG2 ILE 5 8.252 -6.782 -3.764 43 3HG2 ILE 5 3HG2 ILE 5 7.112 -7.995 -4.345 44 1HD1 ILE 5 1HD1 ILE 5 10.593 -8.622 -3.205 45 2HD1 ILE 5 2HD1 ILE 5 10.822 -10.350 -3.469 46 3HD1 ILE 5 3HD1 ILE 5 10.914 -9.688 -1.839 47 H VAL 6 H VAL 6 8.990 -5.067 -1.597 48 HA VAL 6 HA VAL 6 6.308 -4.503 -0.513 49 HB VAL 6 HB VAL 6 8.288 -3.526 0.700 50 1HG1 VAL 6 1HG1 VAL 6 9.869 -2.431 -0.394 51 2HG1 VAL 6 2HG1 VAL 6 8.701 -1.300 -1.055 52 3HG1 VAL 6 3HG1 VAL 6 9.058 -2.803 -1.893 53 1HG2 VAL 6 1HG2 VAL 6 6.377 -1.533 -0.525 54 2HG2 VAL 6 2HG2 VAL 6 7.292 -1.315 0.967 55 3HG2 VAL 6 3HG2 VAL 6 6.039 -2.549 0.872 56 H TRP 7 H TRP 7 4.803 -3.694 -1.834 57 HA TRP 7 HA TRP 7 5.717 -2.405 -4.318 58 1HB TRP 7 2HB TRP 7 3.436 -4.305 -3.838 59 2HB TRP 7 1HB TRP 7 3.361 -3.148 -5.169 60 HD1 TRP 7 HD1 TRP 7 6.846 -4.250 -4.594 61 HE1 TRP 7 1HE TRP 7 7.574 -5.956 -6.357 62 HE3 TRP 7 3HE TRP 7 2.267 -5.333 -6.599 63 HZ2 TRP 7 2HZ TRP 7 6.380 -7.560 -8.332 64 HZ3 TRP 7 3HZ TRP 7 2.154 -6.977 -8.429 65 HH2 TRP 7 HH2 TRP 7 4.175 -8.076 -9.277 66 H VAL 8 H VAL 8 5.234 -0.350 -4.487 67 HA VAL 8 HA VAL 8 3.133 0.737 -2.732 68 HB VAL 8 HB VAL 8 5.064 2.700 -3.676 69 1HG1 VAL 8 1HG1 VAL 8 3.549 3.168 -1.878 70 2HG1 VAL 8 2HG1 VAL 8 5.193 3.167 -1.241 71 3HG1 VAL 8 3HG1 VAL 8 4.149 1.785 -0.965 72 1HG2 VAL 8 1HG2 VAL 8 6.091 0.203 -2.402 73 2HG2 VAL 8 2HG2 VAL 8 6.800 1.746 -1.936 74 3HG2 VAL 8 3HG2 VAL 8 6.837 1.234 -3.621 75 H VAL 9 H VAL 9 1.612 2.078 -3.543 76 HA VAL 9 HA VAL 9 1.817 2.782 -6.399 77 HB VAL 9 HB VAL 9 -0.935 2.719 -5.483 78 1HG1 VAL 9 1HG1 VAL 9 -0.978 1.031 -7.472 79 2HG1 VAL 9 2HG1 VAL 9 0.691 1.546 -7.693 80 3HG1 VAL 9 3HG1 VAL 9 -0.609 2.729 -7.774 81 1HG2 VAL 9 1HG2 VAL 9 -1.186 0.296 -5.240 82 2HG2 VAL 9 2HG2 VAL 9 -0.160 0.958 -3.975 83 3HG2 VAL 9 3HG2 VAL 9 0.566 0.101 -5.329 84 H ASP 10 H ASP 10 2.343 4.902 -6.381 85 HA ASP 10 HA ASP 10 0.462 6.819 -5.425 86 1HB ASP 10 2HB ASP 10 1.918 6.028 -3.371 87 2HB ASP 10 1HB ASP 10 3.099 7.131 -4.065 88 H ASP 11 H ASP 11 0.858 7.070 -7.791 89 HA ASP 11 HA ASP 11 1.571 8.334 -9.531 90 1HB ASP 11 2HB ASP 11 1.743 9.979 -7.322 91 2HB ASP 11 1HB ASP 11 3.335 10.135 -8.057 92 H ASP 12 H ASP 12 3.604 6.368 -7.890 93 HA ASP 12 HA ASP 12 5.749 5.624 -8.158 94 1HB ASP 12 2HB ASP 12 6.270 5.018 -10.435 95 2HB ASP 12 1HB ASP 12 4.537 4.837 -10.192 96 H SER 13 H SER 13 7.514 6.438 -10.437 97 HA SER 13 HA SER 13 9.431 7.682 -10.450 98 1HB SER 13 2HB SER 13 7.533 8.671 -11.908 99 2HB SER 13 1HB SER 13 7.594 10.013 -10.771 100 HG SER 13 HG SER 13 10.021 9.800 -11.274 101 H SER 14 H SER 14 7.682 10.427 -9.189 102 HA SER 14 HA SER 14 9.679 11.228 -7.440 103 1HB SER 14 2HB SER 14 7.536 12.470 -8.280 104 2HB SER 14 1HB SER 14 6.786 11.795 -6.834 105 HG SER 14 HG SER 14 7.670 13.400 -5.829 106 H ILE 15 H ILE 15 6.547 9.847 -6.422 107 HA ILE 15 HA ILE 15 7.374 9.298 -3.798 108 HB ILE 15 HB ILE 15 5.211 7.832 -5.317 109 1HG1 ILE 15 2HG1 ILE 15 4.900 10.273 -5.480 110 2HG1 ILE 15 1HG1 ILE 15 3.666 9.533 -4.466 111 1HG2 ILE 15 1HG2 ILE 15 4.396 8.127 -2.720 112 2HG2 ILE 15 2HG2 ILE 15 6.130 7.855 -2.545 113 3HG2 ILE 15 3HG2 ILE 15 5.135 6.679 -3.403 114 1HD1 ILE 15 1HD1 ILE 15 6.129 10.819 -3.332 115 2HD1 ILE 15 2HD1 ILE 15 4.641 10.376 -2.497 116 3HD1 ILE 15 3HD1 ILE 15 4.639 11.707 -3.653 117 H ARG 16 H ARG 16 7.990 7.664 -6.745 118 HA ARG 16 HA ARG 16 8.421 5.048 -5.730 119 1HB ARG 16 2HB ARG 16 8.016 5.461 -8.107 120 2HB ARG 16 1HB ARG 16 9.501 6.383 -8.217 121 1HG ARG 16 2HG ARG 16 10.701 4.261 -7.492 122 2HG ARG 16 1HG ARG 16 9.185 3.428 -7.821 123 1HD ARG 16 2HD ARG 16 9.528 3.478 -10.020 124 2HD ARG 16 1HD ARG 16 9.926 5.194 -9.989 125 HE ARG 16 HE ARG 16 12.193 4.248 -9.106 126 1HH1 ARG 16 1HH1 ARG 16 10.187 2.906 -11.639 127 2HH1 ARG 16 2HH1 ARG 16 11.521 2.199 -12.485 128 1HH2 ARG 16 1HH2 ARG 16 13.941 3.324 -10.231 129 2HH2 ARG 16 2HH2 ARG 16 13.646 2.436 -11.690 130 H TRP 17 H TRP 17 10.735 7.540 -6.782 131 HA TRP 17 HA TRP 17 13.026 6.221 -5.919 132 1HB TRP 17 2HB TRP 17 12.973 8.174 -7.463 133 2HB TRP 17 1HB TRP 17 12.661 9.211 -6.073 134 HD1 TRP 17 HD1 TRP 17 15.397 6.759 -7.324 135 HE1 TRP 17 1HE TRP 17 17.663 7.582 -6.428 136 HE3 TRP 17 3HE TRP 17 13.762 10.683 -4.484 137 HZ2 TRP 17 2HZ TRP 17 18.634 9.622 -4.738 138 HZ3 TRP 17 3HZ TRP 17 15.431 12.016 -3.250 139 HH2 TRP 17 HH2 TRP 17 17.815 11.495 -3.378 140 H VAL 18 H VAL 18 10.968 8.527 -4.171 141 HA VAL 18 HA VAL 18 12.670 8.754 -1.941 142 HB VAL 18 HB VAL 18 9.705 9.087 -1.707 143 1HG1 VAL 18 1HG1 VAL 18 11.831 9.524 0.014 144 2HG1 VAL 18 2HG1 VAL 18 10.193 10.150 0.191 145 3HG1 VAL 18 3HG1 VAL 18 11.431 11.132 -0.590 146 1HG2 VAL 18 1HG2 VAL 18 11.492 10.514 -3.517 147 2HG2 VAL 18 2HG2 VAL 18 10.635 11.580 -2.402 148 3HG2 VAL 18 3HG2 VAL 18 9.731 10.488 -3.450 149 H LEU 19 H LEU 19 9.938 6.634 -2.561 150 HA LEU 19 HA LEU 19 10.121 5.441 0.041 151 1HB LEU 19 2HB LEU 19 8.346 5.049 -2.323 152 2HB LEU 19 1HB LEU 19 8.389 3.831 -1.062 153 HG LEU 19 HG LEU 19 7.726 6.736 -0.598 154 1HD1 LEU 19 1HD1 LEU 19 6.142 4.625 -1.678 155 2HD1 LEU 19 2HD1 LEU 19 5.696 6.295 -1.352 156 3HD1 LEU 19 3HD1 LEU 19 5.516 5.076 -0.093 157 1HD2 LEU 19 1HD2 LEU 19 8.715 5.488 1.320 158 2HD2 LEU 19 2HD2 LEU 19 7.368 4.355 1.213 159 3HD2 LEU 19 3HD2 LEU 19 7.067 6.048 1.600 160 H GLU 20 H GLU 20 11.291 4.705 -3.123 161 HA GLU 20 HA GLU 20 11.684 1.939 -2.718 162 1HB GLU 20 2HB GLU 20 12.953 1.945 -4.728 163 2HB GLU 20 1HB GLU 20 11.618 3.058 -4.942 164 1HG GLU 20 2HG GLU 20 13.126 4.932 -4.570 165 2HG GLU 20 1HG GLU 20 14.468 3.812 -4.355 166 H ARG 21 H ARG 21 14.068 4.565 -2.722 167 HA ARG 21 HA ARG 21 16.282 3.143 -1.949 168 1HB ARG 21 2HB ARG 21 15.483 5.983 -1.359 169 2HB ARG 21 1HB ARG 21 17.060 5.341 -0.916 170 1HG ARG 21 2HG ARG 21 16.272 4.877 -3.707 171 2HG ARG 21 1HG ARG 21 16.497 6.569 -3.261 172 1HD ARG 21 2HD ARG 21 18.717 6.347 -3.161 173 2HD ARG 21 1HD ARG 21 18.601 4.866 -2.213 174 HE ARG 21 HE ARG 21 17.931 4.274 -4.863 175 1HH1 ARG 21 1HH1 ARG 21 20.700 5.246 -2.979 176 2HH1 ARG 21 2HH1 ARG 21 21.842 4.481 -4.032 177 1HH2 ARG 21 1HH2 ARG 21 19.433 3.267 -6.252 178 2HH2 ARG 21 2HH2 ARG 21 21.124 3.359 -5.890 179 H ALA 22 H ALA 22 14.051 4.833 0.278 180 HA ALA 22 HA ALA 22 15.298 4.117 2.635 181 1HB ALA 22 1HB ALA 22 12.606 5.013 1.892 182 2HB ALA 22 2HB ALA 22 13.697 5.611 3.141 183 3HB ALA 22 3HB ALA 22 12.724 4.169 3.436 184 H LEU 23 H LEU 23 12.709 2.370 0.989 185 HA LEU 23 HA LEU 23 12.707 0.217 2.852 186 1HB LEU 23 2HB LEU 23 10.813 0.873 1.300 187 2HB LEU 23 1HB LEU 23 11.720 0.105 0.011 188 HG LEU 23 HG LEU 23 9.877 -1.261 1.080 189 1HD1 LEU 23 1HD1 LEU 23 12.537 -2.612 1.273 190 2HD1 LEU 23 2HD1 LEU 23 11.894 -2.077 -0.274 191 3HD1 LEU 23 3HD1 LEU 23 11.004 -3.256 0.692 192 1HD2 LEU 23 1HD2 LEU 23 11.897 -1.575 3.294 193 2HD2 LEU 23 2HD2 LEU 23 10.325 -2.369 3.160 194 3HD2 LEU 23 3HD2 LEU 23 10.414 -0.625 3.416 195 H ALA 24 H ALA 24 14.454 0.931 -0.060 196 HA ALA 24 HA ALA 24 15.449 -1.682 -0.521 197 1HB ALA 24 1HB ALA 24 15.488 0.056 -2.256 198 2HB ALA 24 2HB ALA 24 17.100 -0.603 -1.965 199 3HB ALA 24 3HB ALA 24 16.658 0.974 -1.309 200 H GLY 25 H GLY 25 16.360 1.006 1.526 201 1HA GLY 25 2HA GLY 25 18.942 0.115 2.253 202 2HA GLY 25 1HA GLY 25 17.910 1.172 3.213 203 H ALA 26 H ALA 26 15.729 -0.842 3.206 204 HA ALA 26 HA ALA 26 16.549 -2.266 5.547 205 1HB ALA 26 1HB ALA 26 14.325 -1.533 5.615 206 2HB ALA 26 2HB ALA 26 14.202 -3.268 5.322 207 3HB ALA 26 3HB ALA 26 13.983 -2.129 3.990 208 H GLY 27 H GLY 27 16.641 -2.872 2.196 209 1HA GLY 27 2HA GLY 27 17.822 -4.691 1.282 210 2HA GLY 27 1HA GLY 27 17.505 -5.603 2.743 211 H LEU 28 H LEU 28 14.856 -3.971 1.065 212 HA LEU 28 HA LEU 28 14.084 -6.603 0.049 213 1HB LEU 28 2HB LEU 28 11.895 -4.795 0.831 214 2HB LEU 28 1HB LEU 28 11.996 -6.540 0.907 215 HG LEU 28 HG LEU 28 13.770 -5.944 2.817 216 1HD1 LEU 28 1HD1 LEU 28 12.790 -4.083 4.167 217 2HD1 LEU 28 2HD1 LEU 28 11.867 -3.633 2.738 218 3HD1 LEU 28 3HD1 LEU 28 13.629 -3.584 2.698 219 1HD2 LEU 28 1HD2 LEU 28 12.276 -7.191 3.874 220 2HD2 LEU 28 2HD2 LEU 28 11.049 -6.783 2.674 221 3HD2 LEU 28 3HD2 LEU 28 11.263 -5.764 4.099 222 H THR 29 H THR 29 12.345 -6.528 -1.616 223 HA THR 29 HA THR 29 13.184 -4.786 -3.729 224 HB THR 29 HB THR 29 10.896 -6.761 -3.598 225 HG1 THR 29 1HG THR 29 13.125 -7.550 -3.384 226 1HG2 THR 29 1HG2 THR 29 11.700 -6.630 -6.210 227 2HG2 THR 29 2HG2 THR 29 11.724 -4.940 -5.705 228 3HG2 THR 29 3HG2 THR 29 10.247 -5.891 -5.536 229 H CYS 30 H CYS 30 12.383 -2.864 -4.257 230 HA CYS 30 HA CYS 30 9.711 -2.120 -3.272 231 1HB CYS 30 2HB CYS 30 10.694 0.237 -3.130 232 2HB CYS 30 1HB CYS 30 11.187 -0.917 -1.897 233 HG CYS 30 HG CYS 30 13.364 0.143 -2.598 234 H THR 31 H THR 31 8.407 -1.992 -4.970 235 HA THR 31 HA THR 31 9.360 -0.518 -7.333 236 HB THR 31 HB THR 31 9.024 -3.082 -7.630 237 HG1 THR 31 1HG THR 31 9.227 -1.766 -9.418 238 1HG2 THR 31 1HG2 THR 31 6.297 -2.781 -8.437 239 2HG2 THR 31 2HG2 THR 31 6.449 -2.494 -6.704 240 3HG2 THR 31 3HG2 THR 31 7.035 -3.998 -7.407 241 H THR 32 H THR 32 7.758 0.827 -8.356 242 HA THR 32 HA THR 32 5.340 1.197 -6.738 243 HB THR 32 HB THR 32 5.525 3.604 -7.000 244 HG1 THR 32 1HG THR 32 7.486 2.893 -8.788 245 1HG2 THR 32 1HG2 THR 32 7.043 2.102 -5.335 246 2HG2 THR 32 2HG2 THR 32 6.898 3.859 -5.271 247 3HG2 THR 32 3HG2 THR 32 8.255 3.109 -6.118 248 H PHE 33 H PHE 33 3.598 2.346 -7.775 249 HA PHE 33 HA PHE 33 3.543 2.115 -10.693 250 1HB PHE 33 2HB PHE 33 1.264 1.179 -8.958 251 2HB PHE 33 1HB PHE 33 1.419 1.036 -10.691 252 HD1 PHE 33 1HD PHE 33 1.827 -1.069 -11.462 253 HD2 PHE 33 2HD PHE 33 3.425 0.082 -7.689 254 HE1 PHE 33 1HE PHE 33 2.807 -3.307 -11.196 255 HE2 PHE 33 2HE PHE 33 4.422 -2.144 -7.424 256 HZ PHE 33 HZ PHE 33 4.104 -3.852 -9.180 257 H GLU 34 H GLU 34 1.389 3.123 -11.524 258 HA GLU 34 HA GLU 34 1.456 5.830 -10.911 259 1HB GLU 34 2HB GLU 34 -0.695 5.882 -12.274 260 2HB GLU 34 1HB GLU 34 0.723 5.179 -13.042 261 1HG GLU 34 2HG GLU 34 -0.359 3.301 -13.421 262 2HG GLU 34 1HG GLU 34 -0.708 3.114 -11.706 263 H ASN 35 H ASN 35 -1.840 4.754 -10.814 264 HA ASN 35 HA ASN 35 -2.149 6.009 -8.252 265 1HB ASN 35 2HB ASN 35 -3.657 6.343 -10.327 266 2HB ASN 35 1HB ASN 35 -4.388 4.818 -9.842 267 1HD2 ASN 35 1HD2 ASN 35 -4.213 5.157 -7.049 268 2HD2 ASN 35 2HD2 ASN 35 -5.293 6.409 -6.593 269 H GLY 36 H GLY 36 -3.660 3.129 -9.585 270 1HA GLY 36 2HA GLY 36 -2.768 1.471 -7.410 271 2HA GLY 36 1HA GLY 36 -4.455 1.924 -7.289 272 H ASN 37 H ASN 37 -4.950 1.890 -10.152 273 HA ASN 37 HA ASN 37 -5.743 -0.773 -10.446 274 1HB ASN 37 2HB ASN 37 -5.367 1.406 -12.507 275 2HB ASN 37 1HB ASN 37 -6.087 -0.160 -12.873 276 1HD2 ASN 37 1HD2 ASN 37 -7.673 -0.675 -10.790 277 2HD2 ASN 37 2HD2 ASN 37 -8.899 0.527 -10.622 278 H GLU 38 H GLU 38 -2.824 0.895 -11.341 279 HA GLU 38 HA GLU 38 -1.701 -0.881 -13.146 280 1HB GLU 38 2HB GLU 38 -0.891 1.373 -11.718 281 2HB GLU 38 1HB GLU 38 0.250 0.120 -11.269 282 1HG GLU 38 2HG GLU 38 0.158 -0.206 -13.956 283 2HG GLU 38 1HG GLU 38 -0.092 1.529 -13.809 284 H VAL 39 H VAL 39 -0.994 -0.802 -9.594 285 HA VAL 39 HA VAL 39 0.481 -3.139 -9.506 286 HB VAL 39 HB VAL 39 -1.475 -2.521 -7.303 287 1HG1 VAL 39 1HG1 VAL 39 1.131 -3.174 -6.400 288 2HG1 VAL 39 2HG1 VAL 39 0.688 -4.333 -7.653 289 3HG1 VAL 39 3HG1 VAL 39 -0.353 -4.114 -6.248 290 1HG2 VAL 39 1HG2 VAL 39 0.416 -0.694 -8.353 291 2HG2 VAL 39 2HG2 VAL 39 1.041 -1.281 -6.811 292 3HG2 VAL 39 3HG2 VAL 39 -0.560 -0.559 -6.894 293 H LEU 40 H LEU 40 -3.002 -2.774 -9.705 294 HA LEU 40 HA LEU 40 -3.763 -5.372 -8.998 295 1HB LEU 40 2HB LEU 40 -5.102 -3.743 -11.143 296 2HB LEU 40 1HB LEU 40 -5.824 -4.966 -10.118 297 HG LEU 40 HG LEU 40 -4.912 -2.217 -9.284 298 1HD1 LEU 40 1HD1 LEU 40 -7.058 -2.421 -10.511 299 2HD1 LEU 40 2HD1 LEU 40 -7.235 -1.818 -8.863 300 3HD1 LEU 40 3HD1 LEU 40 -7.633 -3.492 -9.240 301 1HD2 LEU 40 1HD2 LEU 40 -6.155 -3.092 -7.114 302 2HD2 LEU 40 2HD2 LEU 40 -4.426 -3.342 -7.359 303 3HD2 LEU 40 3HD2 LEU 40 -5.562 -4.646 -7.703 304 H ALA 41 H ALA 41 -2.824 -4.030 -12.140 305 HA ALA 41 HA ALA 41 -3.255 -6.337 -13.661 306 1HB ALA 41 1HB ALA 41 -1.956 -5.319 -15.363 307 2HB ALA 41 2HB ALA 41 -1.103 -4.310 -14.194 308 3HB ALA 41 3HB ALA 41 -2.809 -4.017 -14.533 309 H ALA 42 H ALA 42 -0.351 -5.144 -12.086 310 HA ALA 42 HA ALA 42 1.280 -7.360 -12.753 311 1HB ALA 42 1HB ALA 42 1.506 -5.002 -10.976 312 2HB ALA 42 2HB ALA 42 2.630 -5.621 -12.187 313 3HB ALA 42 3HB ALA 42 2.540 -6.380 -10.599 314 H LEU 43 H LEU 43 -0.916 -6.626 -10.157 315 HA LEU 43 HA LEU 43 -0.151 -8.623 -8.325 316 1HB LEU 43 2HB LEU 43 -2.570 -6.951 -8.787 317 2HB LEU 43 1HB LEU 43 -2.753 -8.369 -7.779 318 HG LEU 43 HG LEU 43 -0.673 -6.274 -7.231 319 1HD1 LEU 43 1HD1 LEU 43 -3.156 -6.397 -5.629 320 2HD1 LEU 43 2HD1 LEU 43 -3.269 -5.653 -7.221 321 3HD1 LEU 43 3HD1 LEU 43 -2.134 -5.018 -6.033 322 1HD2 LEU 43 1HD2 LEU 43 -1.559 -7.549 -4.910 323 2HD2 LEU 43 2HD2 LEU 43 -0.022 -7.775 -5.739 324 3HD2 LEU 43 3HD2 LEU 43 -1.384 -8.823 -6.115 325 H ALA 44 H ALA 44 -1.969 -8.700 -11.254 326 HA ALA 44 HA ALA 44 -3.471 -11.019 -10.875 327 1HB ALA 44 1HB ALA 44 -3.308 -9.237 -12.858 328 2HB ALA 44 2HB ALA 44 -4.031 -10.833 -13.060 329 3HB ALA 44 3HB ALA 44 -2.368 -10.547 -13.574 330 H SER 45 H SER 45 -0.097 -10.599 -11.413 331 HA SER 45 HA SER 45 0.208 -13.500 -11.520 332 1HB SER 45 2HB SER 45 1.114 -11.540 -13.437 333 2HB SER 45 1HB SER 45 2.474 -12.448 -12.777 334 HG SER 45 HG SER 45 1.339 -14.369 -13.337 335 H LYS 46 H LYS 46 0.596 -11.076 -9.482 336 HA LYS 46 HA LYS 46 2.906 -12.324 -8.251 337 1HB LYS 46 2HB LYS 46 3.562 -10.234 -9.640 338 2HB LYS 46 1HB LYS 46 2.795 -9.339 -8.334 339 1HG LYS 46 2HG LYS 46 4.985 -9.357 -7.652 340 2HG LYS 46 1HG LYS 46 4.354 -10.762 -6.814 341 1HD LYS 46 2HD LYS 46 5.244 -12.226 -8.461 342 2HD LYS 46 1HD LYS 46 5.714 -10.860 -9.482 343 1HE LYS 46 2HE LYS 46 7.154 -10.127 -7.488 344 2HE LYS 46 1HE LYS 46 6.904 -11.760 -6.873 345 1HZ LYS 46 1HZ LYS 46 8.971 -11.368 -8.244 346 2HZ LYS 46 2HZ LYS 46 7.955 -11.248 -9.591 347 3HZ LYS 46 3HZ LYS 46 8.012 -12.686 -8.701 348 H THR 47 H THR 47 3.240 -11.631 -6.045 349 HA THR 47 HA THR 47 0.924 -10.434 -4.768 350 HB THR 47 HB THR 47 2.140 -13.071 -3.925 351 HG1 THR 47 1HG THR 47 0.257 -12.628 -5.649 352 1HG2 THR 47 1HG2 THR 47 0.632 -13.170 -2.126 353 2HG2 THR 47 2HG2 THR 47 -0.230 -11.731 -2.670 354 3HG2 THR 47 3HG2 THR 47 1.406 -11.589 -2.029 355 HA PRO 48 HA PRO 48 4.569 -8.571 -2.860 356 1HB PRO 48 2HB PRO 48 3.394 -6.296 -2.047 357 2HB PRO 48 1HB PRO 48 3.793 -6.577 -3.744 358 1HG PRO 48 2HG PRO 48 1.164 -6.803 -2.354 359 2HG PRO 48 1HG PRO 48 1.531 -6.154 -3.960 360 1HD PRO 48 2HD PRO 48 0.545 -8.680 -3.488 361 2HD PRO 48 1HD PRO 48 1.443 -8.206 -4.936 362 H ASP 49 H ASP 49 5.278 -8.395 -0.730 363 HA ASP 49 HA ASP 49 3.716 -9.776 1.229 364 1HB ASP 49 2HB ASP 49 6.369 -8.337 1.445 365 2HB ASP 49 1HB ASP 49 5.651 -9.294 2.739 366 H VAL 50 H VAL 50 4.422 -6.438 0.513 367 HA VAL 50 HA VAL 50 2.410 -5.601 2.443 368 HB VAL 50 HB VAL 50 4.439 -5.508 3.764 369 1HG1 VAL 50 1HG1 VAL 50 5.854 -3.451 2.329 370 2HG1 VAL 50 2HG1 VAL 50 5.662 -4.901 1.338 371 3HG1 VAL 50 3HG1 VAL 50 6.432 -5.004 2.923 372 1HG2 VAL 50 1HG2 VAL 50 3.580 -2.763 2.861 373 2HG2 VAL 50 2HG2 VAL 50 4.467 -3.124 4.343 374 3HG2 VAL 50 3HG2 VAL 50 2.828 -3.734 4.125 375 H LEU 51 H LEU 51 1.143 -4.897 0.747 376 HA LEU 51 HA LEU 51 2.223 -3.108 -1.256 377 1HB LEU 51 2HB LEU 51 0.568 -4.913 -1.757 378 2HB LEU 51 1HB LEU 51 -0.625 -4.008 -0.848 379 HG LEU 51 HG LEU 51 -0.340 -2.127 -2.485 380 1HD1 LEU 51 1HD1 LEU 51 0.900 -4.034 -4.393 381 2HD1 LEU 51 2HD1 LEU 51 1.947 -3.229 -3.225 382 3HD1 LEU 51 3HD1 LEU 51 0.974 -2.271 -4.340 383 1HD2 LEU 51 1HD2 LEU 51 -2.030 -2.964 -3.711 384 2HD2 LEU 51 2HD2 LEU 51 -1.920 -4.325 -2.595 385 3HD2 LEU 51 3HD2 LEU 51 -1.124 -4.406 -4.166 386 H LEU 52 H LEU 52 1.785 -0.957 -1.497 387 HA LEU 52 HA LEU 52 0.298 0.384 0.680 388 1HB LEU 52 2HB LEU 52 3.010 0.625 -0.046 389 2HB LEU 52 1HB LEU 52 2.232 2.085 -0.617 390 HG LEU 52 HG LEU 52 1.727 1.244 2.186 391 1HD1 LEU 52 1HD1 LEU 52 4.135 0.953 1.922 392 2HD1 LEU 52 2HD1 LEU 52 3.756 2.330 2.954 393 3HD1 LEU 52 3HD1 LEU 52 4.261 2.592 1.285 394 1HD2 LEU 52 1HD2 LEU 52 1.576 3.605 2.557 395 2HD2 LEU 52 2HD2 LEU 52 0.630 3.214 1.121 396 3HD2 LEU 52 3HD2 LEU 52 2.225 3.944 0.953 397 H SER 53 H SER 53 -1.552 1.248 -0.150 398 HA SER 53 HA SER 53 -1.483 2.175 -2.943 399 1HB SER 53 2HB SER 53 -3.281 0.483 -1.677 400 2HB SER 53 1HB SER 53 -4.140 2.020 -1.768 401 HG SER 53 HG SER 53 -4.510 0.899 -3.658 402 H ASP 54 H ASP 54 -2.191 4.184 -3.531 403 HA ASP 54 HA ASP 54 -2.119 6.200 -1.464 404 1HB ASP 54 2HB ASP 54 -2.292 7.787 -3.399 405 2HB ASP 54 1HB ASP 54 -0.917 6.689 -3.478 406 H ILE 55 H ILE 55 -3.755 8.149 -2.083 407 HA ILE 55 HA ILE 55 -6.425 7.272 -2.692 408 HB ILE 55 HB ILE 55 -6.273 6.534 -0.380 409 1HG1 ILE 55 2HG1 ILE 55 -7.897 9.001 -0.056 410 2HG1 ILE 55 1HG1 ILE 55 -8.313 7.946 -1.394 411 1HG2 ILE 55 1HG2 ILE 55 -4.577 7.825 0.541 412 2HG2 ILE 55 2HG2 ILE 55 -6.032 8.332 1.389 413 3HG2 ILE 55 3HG2 ILE 55 -5.366 9.340 0.107 414 1HD1 ILE 55 1HD1 ILE 55 -8.727 7.588 1.467 415 2HD1 ILE 55 2HD1 ILE 55 -8.106 6.161 0.636 416 3HD1 ILE 55 3HD1 ILE 55 -9.605 6.915 0.094 417 H ARG 56 H ARG 56 -7.971 9.072 -2.645 418 HA ARG 56 HA ARG 56 -8.653 11.220 -2.937 419 1HB ARG 56 2HB ARG 56 -7.150 11.835 -1.046 420 2HB ARG 56 1HB ARG 56 -5.842 12.066 -2.199 421 1HG ARG 56 2HG ARG 56 -8.118 13.561 -3.056 422 2HG ARG 56 1HG ARG 56 -7.784 13.926 -1.363 423 1HD ARG 56 2HD ARG 56 -5.348 13.831 -2.915 424 2HD ARG 56 1HD ARG 56 -6.495 14.976 -3.604 425 HE ARG 56 HE ARG 56 -5.060 15.236 -1.136 426 1HH1 ARG 56 1HH1 ARG 56 -7.940 16.194 -2.862 427 2HH1 ARG 56 2HH1 ARG 56 -8.170 17.633 -1.927 428 1HH2 ARG 56 1HH2 ARG 56 -5.364 17.129 0.093 429 2HH2 ARG 56 2HH2 ARG 56 -6.710 18.165 -0.250 430 H MET 57 H MET 57 -8.173 9.771 -5.075 431 HA MET 57 HA MET 57 -7.439 11.707 -7.047 432 1HB MET 57 2HB MET 57 -5.505 9.640 -6.246 433 2HB MET 57 1HB MET 57 -5.804 9.709 -7.976 434 1HG MET 57 2HG MET 57 -5.481 12.356 -7.269 435 2HG MET 57 1HG MET 57 -4.302 11.509 -6.271 436 1HE MET 57 1HE MET 57 -4.745 13.492 -8.794 437 2HE MET 57 2HE MET 57 -4.582 12.699 -10.361 438 3HE MET 57 3HE MET 57 -3.165 13.394 -9.574 439 HA PRO 58 HA PRO 58 -8.876 7.680 -9.342 440 1HB PRO 58 2HB PRO 58 -9.293 5.463 -7.798 441 2HB PRO 58 1HB PRO 58 -7.761 5.818 -8.605 442 1HG PRO 58 2HG PRO 58 -8.573 6.319 -5.767 443 2HG PRO 58 1HG PRO 58 -7.051 5.657 -6.393 444 1HD PRO 58 2HD PRO 58 -7.239 8.223 -5.634 445 2HD PRO 58 1HD PRO 58 -6.257 7.746 -7.023 446 H GLY 59 H GLY 59 -10.850 5.881 -8.795 447 1HA GLY 59 2HA GLY 59 -13.155 7.400 -8.660 448 2HA GLY 59 1HA GLY 59 -13.091 5.672 -8.357 449 H MET 60 H MET 60 -12.959 4.915 -6.214 450 HA MET 60 HA MET 60 -14.276 6.582 -4.306 451 1HB MET 60 2HB MET 60 -14.238 3.936 -4.635 452 2HB MET 60 1HB MET 60 -12.949 4.055 -3.448 453 1HG MET 60 2HG MET 60 -14.572 3.934 -1.934 454 2HG MET 60 1HG MET 60 -14.885 5.621 -2.336 455 1HE MET 60 1HE MET 60 -16.952 1.830 -3.226 456 2HE MET 60 2HE MET 60 -15.256 2.175 -3.558 457 3HE MET 60 3HE MET 60 -16.461 2.370 -4.830 458 H ASP 61 H ASP 61 -12.261 8.114 -4.770 459 HA ASP 61 HA ASP 61 -10.527 9.273 -3.881 460 1HB ASP 61 2HB ASP 61 -12.029 8.258 -1.687 461 2HB ASP 61 1HB ASP 61 -10.324 8.144 -1.268 462 H GLY 62 H GLY 62 -10.160 6.268 -2.056 463 1HA GLY 62 2HA GLY 62 -7.792 5.541 -3.591 464 2HA GLY 62 1HA GLY 62 -7.524 5.960 -1.909 465 H LEU 63 H LEU 63 -10.088 4.833 -1.079 466 HA LEU 63 HA LEU 63 -9.214 2.230 -0.482 467 1HB LEU 63 2HB LEU 63 -12.090 2.971 -0.300 468 2HB LEU 63 1HB LEU 63 -11.117 2.012 0.796 469 HG LEU 63 HG LEU 63 -9.921 4.378 1.160 470 1HD1 LEU 63 1HD1 LEU 63 -12.741 5.272 0.876 471 2HD1 LEU 63 2HD1 LEU 63 -11.676 5.322 -0.522 472 3HD1 LEU 63 3HD1 LEU 63 -11.264 6.226 0.935 473 1HD2 LEU 63 1HD2 LEU 63 -10.995 2.832 2.794 474 2HD2 LEU 63 2HD2 LEU 63 -12.519 3.661 2.486 475 3HD2 LEU 63 3HD2 LEU 63 -11.156 4.545 3.180 476 H ALA 64 H ALA 64 -10.977 3.550 -3.140 477 HA ALA 64 HA ALA 64 -12.481 1.365 -3.984 478 1HB ALA 64 1HB ALA 64 -11.276 2.672 -6.245 479 2HB ALA 64 2HB ALA 64 -11.751 3.864 -5.037 480 3HB ALA 64 3HB ALA 64 -12.943 2.735 -5.678 481 H LEU 65 H LEU 65 -9.069 1.979 -4.115 482 HA LEU 65 HA LEU 65 -8.352 0.001 -6.005 483 1HB LEU 65 2HB LEU 65 -6.813 1.321 -3.770 484 2HB LEU 65 1HB LEU 65 -6.089 0.167 -4.873 485 HG LEU 65 HG LEU 65 -5.469 2.230 -5.750 486 1HD1 LEU 65 1HD1 LEU 65 -8.003 1.486 -7.200 487 2HD1 LEU 65 2HD1 LEU 65 -6.403 0.798 -7.477 488 3HD1 LEU 65 3HD1 LEU 65 -6.708 2.496 -7.841 489 1HD2 LEU 65 1HD2 LEU 65 -7.647 3.830 -6.199 490 2HD2 LEU 65 2HD2 LEU 65 -6.489 4.013 -4.883 491 3HD2 LEU 65 3HD2 LEU 65 -7.990 3.138 -4.621 492 H LEU 66 H LEU 66 -8.556 0.013 -2.470 493 HA LEU 66 HA LEU 66 -7.579 -2.512 -1.917 494 1HB LEU 66 2HB LEU 66 -9.970 -1.337 -0.515 495 2HB LEU 66 1HB LEU 66 -8.766 -2.430 0.140 496 HG LEU 66 HG LEU 66 -8.025 0.337 -0.759 497 1HD1 LEU 66 1HD1 LEU 66 -9.940 0.053 1.063 498 2HD1 LEU 66 2HD1 LEU 66 -8.703 1.301 1.164 499 3HD1 LEU 66 3HD1 LEU 66 -8.535 -0.177 2.105 500 1HD2 LEU 66 1HD2 LEU 66 -6.614 -1.890 0.279 501 2HD2 LEU 66 2HD2 LEU 66 -6.615 -0.631 1.514 502 3HD2 LEU 66 3HD2 LEU 66 -6.001 -0.281 -0.101 503 H LYS 67 H LYS 67 -10.863 -1.561 -2.849 504 HA LYS 67 HA LYS 67 -12.135 -4.019 -2.608 505 1HB LYS 67 2HB LYS 67 -12.953 -1.582 -3.373 506 2HB LYS 67 1HB LYS 67 -12.841 -2.341 -4.955 507 1HG LYS 67 2HG LYS 67 -14.320 -4.157 -4.122 508 2HG LYS 67 1HG LYS 67 -14.511 -3.251 -2.619 509 1HD LYS 67 2HD LYS 67 -15.084 -1.942 -5.247 510 2HD LYS 67 1HD LYS 67 -16.283 -3.002 -4.507 511 1HE LYS 67 2HE LYS 67 -15.263 -1.203 -2.533 512 2HE LYS 67 1HE LYS 67 -15.772 -0.283 -3.949 513 1HZ LYS 67 1HZ LYS 67 -17.485 -0.811 -2.130 514 2HZ LYS 67 2HZ LYS 67 -17.527 -2.361 -2.809 515 3HZ LYS 67 3HZ LYS 67 -17.940 -1.016 -3.747 516 H GLN 68 H GLN 68 -10.323 -2.679 -5.346 517 HA GLN 68 HA GLN 68 -10.759 -4.914 -7.038 518 1HB GLN 68 2HB GLN 68 -8.463 -2.975 -7.258 519 2HB GLN 68 1HB GLN 68 -9.211 -3.918 -8.539 520 1HG GLN 68 2HG GLN 68 -10.674 -1.774 -7.026 521 2HG GLN 68 1HG GLN 68 -9.755 -1.462 -8.500 522 1HE2 GLN 68 1HE2 GLN 68 -12.630 -1.214 -7.926 523 2HE2 GLN 68 2HE2 GLN 68 -13.427 -2.184 -9.113 524 H ILE 69 H ILE 69 -8.061 -3.959 -4.928 525 HA ILE 69 HA ILE 69 -6.300 -6.032 -5.611 526 HB ILE 69 HB ILE 69 -6.548 -4.694 -2.915 527 1HG1 ILE 69 2HG1 ILE 69 -4.696 -3.922 -5.169 528 2HG1 ILE 69 1HG1 ILE 69 -6.259 -3.154 -4.918 529 1HG2 ILE 69 1HG2 ILE 69 -5.135 -6.478 -2.542 530 2HG2 ILE 69 2HG2 ILE 69 -3.998 -5.206 -2.992 531 3HG2 ILE 69 3HG2 ILE 69 -4.468 -6.428 -4.174 532 1HD1 ILE 69 1HD1 ILE 69 -5.584 -2.289 -2.813 533 2HD1 ILE 69 2HD1 ILE 69 -4.305 -1.924 -3.972 534 3HD1 ILE 69 3HD1 ILE 69 -4.106 -3.250 -2.826 535 H LYS 70 H LYS 70 -8.934 -5.908 -3.324 536 HA LYS 70 HA LYS 70 -8.340 -8.396 -2.097 537 1HB LYS 70 2HB LYS 70 -10.468 -8.176 -0.979 538 2HB LYS 70 1HB LYS 70 -9.627 -6.637 -0.974 539 1HG LYS 70 2HG LYS 70 -11.054 -5.712 -2.567 540 2HG LYS 70 1HG LYS 70 -11.701 -7.288 -3.028 541 1HD LYS 70 2HD LYS 70 -12.564 -7.439 -0.629 542 2HD LYS 70 1HD LYS 70 -12.201 -5.716 -0.514 543 1HE LYS 70 2HE LYS 70 -14.495 -5.906 -1.102 544 2HE LYS 70 1HE LYS 70 -13.634 -5.383 -2.550 545 1HZ LYS 70 1HZ LYS 70 -13.627 -7.710 -3.294 546 2HZ LYS 70 2HZ LYS 70 -15.194 -7.100 -3.111 547 3HZ LYS 70 3HZ LYS 70 -14.550 -8.141 -1.943 548 H GLN 71 H GLN 71 -10.101 -7.445 -4.912 549 HA GLN 71 HA GLN 71 -11.689 -9.751 -5.207 550 1HB GLN 71 2HB GLN 71 -10.981 -7.427 -6.808 551 2HB GLN 71 1HB GLN 71 -11.165 -8.881 -7.781 552 1HG GLN 71 2HG GLN 71 -13.395 -9.117 -7.244 553 2HG GLN 71 1HG GLN 71 -13.248 -8.159 -5.770 554 1HE2 GLN 71 1HE2 GLN 71 -12.345 -5.854 -6.339 555 2HE2 GLN 71 2HE2 GLN 71 -13.233 -5.037 -7.576 556 H ARG 72 H ARG 72 -8.453 -8.938 -6.224 557 HA ARG 72 HA ARG 72 -8.111 -11.548 -7.477 558 1HB ARG 72 2HB ARG 72 -6.811 -8.936 -7.703 559 2HB ARG 72 1HB ARG 72 -5.677 -10.281 -7.680 560 1HG ARG 72 2HG ARG 72 -7.145 -11.326 -9.483 561 2HG ARG 72 1HG ARG 72 -7.886 -9.732 -9.630 562 1HD ARG 72 2HD ARG 72 -5.585 -8.799 -9.980 563 2HD ARG 72 1HD ARG 72 -4.999 -10.459 -10.059 564 HE ARG 72 HE ARG 72 -6.300 -9.017 -12.126 565 1HH1 ARG 72 1HH1 ARG 72 -5.985 -12.221 -10.771 566 2HH1 ARG 72 2HH1 ARG 72 -6.400 -13.020 -12.249 567 1HH2 ARG 72 1HH2 ARG 72 -6.843 -10.071 -14.067 568 2HH2 ARG 72 2HH2 ARG 72 -6.886 -11.801 -14.119 569 H HIS 73 H HIS 73 -7.291 -9.850 -4.596 570 HA HIS 73 HA HIS 73 -5.908 -12.237 -3.610 571 1HB HIS 73 2HB HIS 73 -4.874 -9.423 -3.244 572 2HB HIS 73 1HB HIS 73 -4.135 -10.896 -2.617 573 HD1 HIS 73 1HD HIS 73 -3.017 -12.484 -4.391 574 HD2 HIS 73 2HD HIS 73 -4.286 -8.807 -5.861 575 HE1 HIS 73 1HE HIS 73 -1.914 -12.247 -6.634 576 HE2 HIS 73 2HE HIS 73 -2.840 -10.107 -7.575 577 HA PRO 74 HA PRO 74 -8.942 -10.976 -0.456 578 1HB PRO 74 2HB PRO 74 -9.361 -13.417 0.576 579 2HB PRO 74 1HB PRO 74 -10.069 -12.921 -0.966 580 1HG PRO 74 2HG PRO 74 -7.628 -14.580 -0.452 581 2HG PRO 74 1HG PRO 74 -8.935 -14.853 -1.618 582 1HD PRO 74 2HD PRO 74 -6.538 -13.737 -2.292 583 2HD PRO 74 1HD PRO 74 -8.054 -13.370 -3.138 584 H MET 75 H MET 75 -5.758 -11.543 -0.193 585 HA MET 75 HA MET 75 -5.811 -11.169 2.685 586 1HB MET 75 2HB MET 75 -4.409 -13.464 1.344 587 2HB MET 75 1HB MET 75 -3.977 -12.901 2.953 588 1HG MET 75 2HG MET 75 -6.047 -13.525 3.852 589 2HG MET 75 1HG MET 75 -6.786 -13.686 2.263 590 1HE MET 75 1HE MET 75 -5.216 -15.231 5.157 591 2HE MET 75 2HE MET 75 -5.225 -16.949 4.760 592 3HE MET 75 3HE MET 75 -6.738 -16.044 4.793 593 H LEU 76 H LEU 76 -4.895 -9.868 -0.027 594 HA LEU 76 HA LEU 76 -2.097 -9.433 0.337 595 1HB LEU 76 2HB LEU 76 -3.800 -9.144 -1.754 596 2HB LEU 76 1HB LEU 76 -3.628 -7.480 -1.246 597 HG LEU 76 HG LEU 76 -2.083 -8.391 -3.091 598 1HD1 LEU 76 1HD1 LEU 76 -0.805 -6.597 -2.695 599 2HD1 LEU 76 2HD1 LEU 76 -0.406 -7.107 -1.053 600 3HD1 LEU 76 3HD1 LEU 76 -1.948 -6.311 -1.383 601 1HD2 LEU 76 1HD2 LEU 76 -0.143 -9.129 -1.018 602 2HD2 LEU 76 2HD2 LEU 76 -0.437 -9.831 -2.608 603 3HD2 LEU 76 3HD2 LEU 76 -1.456 -10.285 -1.247 604 HA PRO 77 HA PRO 77 -2.785 -6.344 3.580 605 1HB PRO 77 2HB PRO 77 0.160 -6.148 3.365 606 2HB PRO 77 1HB PRO 77 -0.842 -6.466 4.785 607 1HG PRO 77 2HG PRO 77 0.601 -8.412 3.679 608 2HG PRO 77 1HG PRO 77 -1.026 -8.733 4.307 609 1HD PRO 77 2HD PRO 77 -0.140 -8.325 1.472 610 2HD PRO 77 1HD PRO 77 -1.271 -9.522 2.137 611 H VAL 78 H VAL 78 -3.274 -4.265 3.181 612 HA VAL 78 HA VAL 78 -1.658 -2.817 1.197 613 HB VAL 78 HB VAL 78 -4.586 -2.266 1.604 614 1HG1 VAL 78 1HG1 VAL 78 -3.262 -0.496 0.582 615 2HG1 VAL 78 2HG1 VAL 78 -4.369 -1.202 -0.595 616 3HG1 VAL 78 3HG1 VAL 78 -2.660 -1.629 -0.627 617 1HG2 VAL 78 1HG2 VAL 78 -5.124 -3.638 -0.275 618 2HG2 VAL 78 2HG2 VAL 78 -4.211 -4.631 0.861 619 3HG2 VAL 78 3HG2 VAL 78 -3.423 -3.987 -0.579 620 H ILE 79 H ILE 79 -1.438 -0.556 1.497 621 HA ILE 79 HA ILE 79 -2.214 0.467 4.139 622 HB ILE 79 HB ILE 79 0.503 0.961 2.949 623 1HG1 ILE 79 2HG1 ILE 79 0.616 -0.560 5.366 624 2HG1 ILE 79 1HG1 ILE 79 -0.413 -1.398 4.214 625 1HG2 ILE 79 1HG2 ILE 79 -0.892 2.341 4.877 626 2HG2 ILE 79 2HG2 ILE 79 0.852 2.392 4.619 627 3HG2 ILE 79 3HG2 ILE 79 0.168 1.284 5.805 628 1HD1 ILE 79 1HD1 ILE 79 1.479 -1.087 2.555 629 2HD1 ILE 79 2HD1 ILE 79 1.725 -2.239 3.863 630 3HD1 ILE 79 3HD1 ILE 79 2.466 -0.642 3.944 631 H ILE 80 H ILE 80 -3.500 2.119 3.742 632 HA ILE 80 HA ILE 80 -3.107 3.725 1.347 633 HB ILE 80 HB ILE 80 -5.355 3.974 3.322 634 1HG1 ILE 80 2HG1 ILE 80 -5.171 1.643 2.486 635 2HG1 ILE 80 1HG1 ILE 80 -6.627 2.442 1.918 636 1HG2 ILE 80 1HG2 ILE 80 -5.524 4.537 0.398 637 2HG2 ILE 80 2HG2 ILE 80 -4.752 5.710 1.462 638 3HG2 ILE 80 3HG2 ILE 80 -6.430 5.245 1.730 639 1HD1 ILE 80 1HD1 ILE 80 -4.432 1.317 0.423 640 2HD1 ILE 80 2HD1 ILE 80 -4.798 2.973 -0.062 641 3HD1 ILE 80 3HD1 ILE 80 -6.061 1.741 -0.100 642 H MET 81 H MET 81 -2.559 5.849 1.328 643 HA MET 81 HA MET 81 -1.184 6.866 3.596 644 1HB MET 81 2HB MET 81 -1.046 8.988 2.201 645 2HB MET 81 1HB MET 81 -0.339 7.532 1.518 646 1HG MET 81 2HG MET 81 -1.539 7.795 -0.299 647 2HG MET 81 1HG MET 81 -3.010 7.635 0.650 648 1HE MET 81 1HE MET 81 -0.197 10.408 0.606 649 2HE MET 81 2HE MET 81 -0.953 11.621 -0.428 650 3HE MET 81 3HE MET 81 -0.501 10.054 -1.095 651 H THR 82 H THR 82 -4.448 7.388 2.401 652 HA THR 82 HA THR 82 -5.069 8.812 4.864 653 HB THR 82 HB THR 82 -5.671 9.985 2.138 654 HG1 THR 82 1HG THR 82 -3.724 10.710 2.531 655 1HG2 THR 82 1HG2 THR 82 -6.837 11.723 3.101 656 2HG2 THR 82 2HG2 THR 82 -6.218 11.379 4.717 657 3HG2 THR 82 3HG2 THR 82 -7.426 10.321 3.991 658 H ALA 83 H ALA 83 -7.346 8.838 5.377 659 HA ALA 83 HA ALA 83 -8.790 6.674 4.009 660 1HB ALA 83 1HB ALA 83 -9.579 5.969 5.997 661 2HB ALA 83 2HB ALA 83 -9.779 7.608 6.621 662 3HB ALA 83 3HB ALA 83 -8.186 6.851 6.623 663 H HIS 84 H HIS 84 -9.079 10.014 5.050 664 HA HIS 84 HA HIS 84 -10.722 11.572 4.780 665 1HB HIS 84 2HB HIS 84 -10.462 10.137 2.181 666 2HB HIS 84 1HB HIS 84 -11.713 11.365 2.338 667 HD1 HIS 84 1HD HIS 84 -9.677 13.066 4.311 668 HD2 HIS 84 2HD HIS 84 -9.090 11.848 0.386 669 HE1 HIS 84 1HE HIS 84 -7.933 14.613 3.384 670 HE2 HIS 84 2HE HIS 84 -7.609 13.876 0.996 671 H SER 85 H SER 85 -13.125 11.620 3.411 672 HA SER 85 HA SER 85 -14.790 10.158 5.242 673 1HB SER 85 2HB SER 85 -15.125 12.374 3.333 674 2HB SER 85 1HB SER 85 -16.534 11.326 3.493 675 HG SER 85 HG SER 85 -16.673 11.815 5.616 676 H ASP 86 H ASP 86 -14.228 8.004 4.543 677 HA ASP 86 HA ASP 86 -16.187 6.820 2.953 678 1HB ASP 86 2HB ASP 86 -13.993 7.861 1.431 679 2HB ASP 86 1HB ASP 86 -13.972 6.106 1.342 680 H LEU 87 H LEU 87 -14.659 6.540 5.447 681 HA LEU 87 HA LEU 87 -12.854 4.485 5.553 682 1HB LEU 87 2HB LEU 87 -14.615 5.823 7.383 683 2HB LEU 87 1HB LEU 87 -14.572 4.112 7.759 684 HG LEU 87 HG LEU 87 -12.925 5.528 9.015 685 1HD1 LEU 87 1HD1 LEU 87 -11.555 3.478 7.314 686 2HD1 LEU 87 2HD1 LEU 87 -12.707 3.047 8.575 687 3HD1 LEU 87 3HD1 LEU 87 -11.225 3.910 8.988 688 1HD2 LEU 87 1HD2 LEU 87 -12.335 7.034 7.165 689 2HD2 LEU 87 2HD2 LEU 87 -11.544 5.691 6.340 690 3HD2 LEU 87 3HD2 LEU 87 -10.916 6.270 7.881 691 H ASP 88 H ASP 88 -16.174 4.254 4.701 692 HA ASP 88 HA ASP 88 -16.948 1.756 5.478 693 1HB ASP 88 2HB ASP 88 -17.484 3.341 2.995 694 2HB ASP 88 1HB ASP 88 -18.123 1.707 3.140 695 H ALA 89 H ALA 89 -15.190 2.454 2.429 696 HA ALA 89 HA ALA 89 -14.838 -0.295 1.818 697 1HB ALA 89 1HB ALA 89 -14.845 1.503 0.118 698 2HB ALA 89 2HB ALA 89 -13.438 0.441 0.007 699 3HB ALA 89 3HB ALA 89 -13.288 2.039 0.737 700 H ALA 90 H ALA 90 -13.161 1.919 3.833 701 HA ALA 90 HA ALA 90 -10.602 0.677 3.801 702 1HB ALA 90 1HB ALA 90 -11.737 2.249 6.098 703 2HB ALA 90 2HB ALA 90 -11.135 3.017 4.636 704 3HB ALA 90 3HB ALA 90 -10.046 2.061 5.633 705 H VAL 91 H VAL 91 -13.471 0.354 5.857 706 HA VAL 91 HA VAL 91 -12.331 -1.387 7.731 707 HB VAL 91 HB VAL 91 -15.224 -1.547 6.966 708 1HG1 VAL 91 1HG1 VAL 91 -13.516 -2.418 9.170 709 2HG1 VAL 91 2HG1 VAL 91 -15.105 -3.004 8.665 710 3HG1 VAL 91 3HG1 VAL 91 -14.978 -1.580 9.699 711 1HG2 VAL 91 1HG2 VAL 91 -13.761 0.665 8.353 712 2HG2 VAL 91 2HG2 VAL 91 -15.419 0.279 8.815 713 3HG2 VAL 91 3HG2 VAL 91 -15.054 0.757 7.156 714 H SER 92 H SER 92 -14.131 -2.065 4.744 715 HA SER 92 HA SER 92 -14.011 -4.875 5.007 716 1HB SER 92 2HB SER 92 -14.243 -3.247 2.465 717 2HB SER 92 1HB SER 92 -14.618 -4.966 2.642 718 HG SER 92 HG SER 92 -16.241 -4.329 4.168 719 H ALA 93 H ALA 93 -11.713 -2.497 4.083 720 HA ALA 93 HA ALA 93 -10.018 -4.103 2.511 721 1HB ALA 93 1HB ALA 93 -9.713 -1.765 2.369 722 2HB ALA 93 2HB ALA 93 -8.270 -2.406 3.151 723 3HB ALA 93 3HB ALA 93 -9.515 -1.623 4.113 724 H TYR 94 H TYR 94 -10.277 -3.458 5.931 725 HA TYR 94 HA TYR 94 -7.958 -4.923 6.703 726 1HB TYR 94 2HB TYR 94 -10.350 -4.478 8.482 727 2HB TYR 94 1HB TYR 94 -8.655 -4.606 8.939 728 HD1 TYR 94 1HD TYR 94 -7.223 -2.710 7.428 729 HD2 TYR 94 2HD TYR 94 -11.201 -2.396 8.917 730 HE1 TYR 94 1HE TYR 94 -7.032 -0.257 7.403 731 HE2 TYR 94 2HE TYR 94 -11.017 0.059 8.890 732 HH TYR 94 HH TYR 94 -9.502 1.795 8.792 733 H GLN 95 H GLN 95 -11.166 -5.729 5.832 734 HA GLN 95 HA GLN 95 -11.346 -8.246 7.142 735 1HB GLN 95 2HB GLN 95 -13.429 -7.467 6.536 736 2HB GLN 95 1HB GLN 95 -12.864 -6.829 5.006 737 1HG GLN 95 2HG GLN 95 -12.939 -9.778 5.409 738 2HG GLN 95 1HG GLN 95 -14.436 -8.904 5.089 739 1HE2 GLN 95 1HE2 GLN 95 -13.748 -7.034 3.291 740 2HE2 GLN 95 2HE2 GLN 95 -13.135 -7.760 1.847 741 H GLN 96 H GLN 96 -10.352 -7.242 3.877 742 HA GLN 96 HA GLN 96 -9.777 -9.922 3.074 743 1HB GLN 96 2HB GLN 96 -8.918 -8.997 1.035 744 2HB GLN 96 1HB GLN 96 -10.403 -8.151 1.447 745 1HG GLN 96 2HG GLN 96 -8.260 -6.716 2.602 746 2HG GLN 96 1HG GLN 96 -7.815 -7.091 0.940 747 1HE2 GLN 96 1HE2 GLN 96 -7.982 -4.938 0.313 748 2HE2 GLN 96 2HE2 GLN 96 -9.511 -4.159 0.119 749 H GLY 97 H GLY 97 -8.119 -7.550 4.898 750 1HA GLY 97 2HA GLY 97 -6.207 -8.593 6.129 751 2HA GLY 97 1HA GLY 97 -5.607 -9.074 4.554 752 H ALA 98 H ALA 98 -7.035 -5.941 4.697 753 HA ALA 98 HA ALA 98 -4.758 -4.613 3.825 754 1HB ALA 98 1HB ALA 98 -5.946 -2.531 4.616 755 2HB ALA 98 2HB ALA 98 -7.206 -3.598 5.231 756 3HB ALA 98 3HB ALA 98 -6.844 -3.563 3.504 757 H PHE 99 H PHE 99 -3.277 -3.182 4.897 758 HA PHE 99 HA PHE 99 -2.502 -4.143 7.474 759 1HB PHE 99 2HB PHE 99 -0.887 -3.438 5.665 760 2HB PHE 99 1HB PHE 99 -1.325 -1.770 6.028 761 HD1 PHE 99 1HD PHE 99 -0.589 -4.751 8.150 762 HD2 PHE 99 2HD PHE 99 0.369 -0.724 7.171 763 HE1 PHE 99 1HE PHE 99 1.074 -4.708 9.961 764 HE2 PHE 99 2HE PHE 99 2.038 -0.684 8.973 765 HZ PHE 99 HZ PHE 99 2.389 -2.671 10.374 766 H ASP 100 H ASP 100 -3.511 -0.928 6.262 767 HA ASP 100 HA ASP 100 -5.244 -0.278 8.287 768 1HB ASP 100 2HB ASP 100 -2.592 -0.342 9.310 769 2HB ASP 100 1HB ASP 100 -3.082 1.348 9.241 770 H TYR 101 H TYR 101 -4.755 2.373 8.834 771 HA TYR 101 HA TYR 101 -4.446 3.632 6.197 772 1HB TYR 101 2HB TYR 101 -6.826 3.549 7.928 773 2HB TYR 101 1HB TYR 101 -6.405 5.154 7.338 774 HD1 TYR 101 1HD TYR 101 -7.228 1.702 6.266 775 HD2 TYR 101 2HD TYR 101 -6.831 5.780 5.109 776 HE1 TYR 101 1HE TYR 101 -8.304 1.196 4.109 777 HE2 TYR 101 2HE TYR 101 -7.906 5.283 2.957 778 HH TYR 101 HH TYR 101 -8.278 3.368 1.496 779 H LEU 102 H LEU 102 -3.874 5.868 6.242 780 HA LEU 102 HA LEU 102 -2.505 6.623 8.727 781 1HB LEU 102 2HB LEU 102 -1.803 6.737 5.958 782 2HB LEU 102 1HB LEU 102 -1.808 8.366 6.603 783 HG LEU 102 HG LEU 102 -0.194 7.765 8.293 784 1HD1 LEU 102 1HD1 LEU 102 -0.878 5.529 8.813 785 2HD1 LEU 102 2HD1 LEU 102 0.811 5.506 8.305 786 3HD1 LEU 102 3HD1 LEU 102 -0.452 4.978 7.194 787 1HD2 LEU 102 1HD2 LEU 102 1.086 8.383 6.549 788 2HD2 LEU 102 2HD2 LEU 102 0.329 7.242 5.441 789 3HD2 LEU 102 3HD2 LEU 102 1.564 6.688 6.574 790 HA PRO 103 HA PRO 103 -5.755 9.694 9.099 791 1HB PRO 103 2HB PRO 103 -4.949 10.696 11.502 792 2HB PRO 103 1HB PRO 103 -5.890 9.214 11.327 793 1HG PRO 103 2HG PRO 103 -2.999 9.565 11.895 794 2HG PRO 103 1HG PRO 103 -4.106 8.291 12.427 795 1HD PRO 103 2HD PRO 103 -2.252 8.050 10.380 796 2HD PRO 103 1HD PRO 103 -3.670 7.011 10.603 797 H LYS 104 H LYS 104 -2.824 10.965 10.659 798 HA LYS 104 HA LYS 104 -2.964 13.256 8.823 799 1HB LYS 104 2HB LYS 104 -2.910 13.161 11.643 800 2HB LYS 104 1HB LYS 104 -1.356 13.806 11.135 801 1HG LYS 104 2HG LYS 104 -2.291 15.670 10.161 802 2HG LYS 104 1HG LYS 104 -3.863 14.895 9.945 803 1HD LYS 104 2HD LYS 104 -4.518 15.315 12.094 804 2HD LYS 104 1HD LYS 104 -2.866 15.275 12.718 805 1HE LYS 104 2HE LYS 104 -2.424 17.450 11.717 806 2HE LYS 104 1HE LYS 104 -4.050 17.484 11.038 807 1HZ LYS 104 1HZ LYS 104 -4.860 17.312 13.395 808 2HZ LYS 104 2HZ LYS 104 -4.111 18.773 12.989 809 3HZ LYS 104 3HZ LYS 104 -3.272 17.616 13.892 810 HA PRO 105 HA PRO 105 1.827 12.409 9.495 811 1HB PRO 105 2HB PRO 105 1.628 9.560 10.333 812 2HB PRO 105 1HB PRO 105 2.766 10.812 10.845 813 1HG PRO 105 2HG PRO 105 0.788 10.044 12.449 814 2HG PRO 105 1HG PRO 105 1.273 11.747 12.347 815 1HD PRO 105 2HD PRO 105 -1.094 10.371 11.154 816 2HD PRO 105 1HD PRO 105 -0.965 11.999 11.850 817 H PHE 106 H PHE 106 3.157 11.552 7.897 818 HA PHE 106 HA PHE 106 2.380 9.346 6.266 819 1HB PHE 106 2HB PHE 106 0.799 11.048 5.423 820 2HB PHE 106 1HB PHE 106 2.149 12.109 5.035 821 HD1 PHE 106 1HD PHE 106 1.253 8.531 4.403 822 HD2 PHE 106 2HD PHE 106 2.632 12.221 2.800 823 HE1 PHE 106 1HE PHE 106 1.426 7.498 2.184 824 HE2 PHE 106 2HE PHE 106 2.800 11.194 0.572 825 HZ PHE 106 HZ PHE 106 2.196 8.827 0.261 826 H ASP 107 H ASP 107 3.912 11.704 4.332 827 HA ASP 107 HA ASP 107 6.004 11.663 3.408 828 1HB ASP 107 2HB ASP 107 7.760 12.320 4.990 829 2HB ASP 107 1HB ASP 107 6.271 13.211 5.284 830 H ILE 108 H ILE 108 8.378 10.690 3.761 831 HA ILE 108 HA ILE 108 8.080 7.895 3.459 832 HB ILE 108 HB ILE 108 10.175 9.822 3.072 833 1HG1 ILE 108 2HG1 ILE 108 10.806 8.364 1.290 834 2HG1 ILE 108 1HG1 ILE 108 9.977 7.002 2.033 835 1HG2 ILE 108 1HG2 ILE 108 10.926 7.299 4.492 836 2HG2 ILE 108 2HG2 ILE 108 11.470 8.946 4.795 837 3HG2 ILE 108 3HG2 ILE 108 12.036 8.076 3.369 838 1HD1 ILE 108 1HD1 ILE 108 8.867 8.151 0.042 839 2HD1 ILE 108 2HD1 ILE 108 8.488 9.451 1.171 840 3HD1 ILE 108 3HD1 ILE 108 7.875 7.825 1.462 841 H ASP 109 H ASP 109 9.366 9.875 6.026 842 HA ASP 109 HA ASP 109 10.449 7.993 7.695 843 1HB ASP 109 2HB ASP 109 9.185 10.635 8.104 844 2HB ASP 109 1HB ASP 109 9.330 9.623 9.536 845 H GLU 110 H GLU 110 7.054 9.127 7.898 846 HA GLU 110 HA GLU 110 6.375 7.013 9.686 847 1HB GLU 110 2HB GLU 110 4.777 9.145 8.320 848 2HB GLU 110 1HB GLU 110 3.990 7.870 9.232 849 1HG GLU 110 2HG GLU 110 6.148 9.530 10.467 850 2HG GLU 110 1HG GLU 110 4.488 10.120 10.369 851 H ALA 111 H ALA 111 6.085 7.563 6.260 852 HA ALA 111 HA ALA 111 4.261 5.489 5.683 853 1HB ALA 111 1HB ALA 111 5.251 5.631 3.364 854 2HB ALA 111 2HB ALA 111 6.351 6.853 4.002 855 3HB ALA 111 3HB ALA 111 4.613 7.141 4.017 856 H VAL 112 H VAL 112 7.799 5.598 5.264 857 HA VAL 112 HA VAL 112 8.125 2.870 4.731 858 HB VAL 112 HB VAL 112 10.135 4.721 6.004 859 1HG1 VAL 112 1HG1 VAL 112 10.267 1.982 5.557 860 2HG1 VAL 112 2HG1 VAL 112 11.620 3.069 5.882 861 3HG1 VAL 112 3HG1 VAL 112 11.169 2.697 4.219 862 1HG2 VAL 112 1HG2 VAL 112 9.921 5.863 4.086 863 2HG2 VAL 112 2HG2 VAL 112 9.059 4.553 3.285 864 3HG2 VAL 112 3HG2 VAL 112 10.820 4.529 3.371 865 H ALA 113 H ALA 113 7.898 4.662 7.684 866 HA ALA 113 HA ALA 113 8.878 2.737 9.484 867 1HB ALA 113 1HB ALA 113 7.550 3.985 11.166 868 2HB ALA 113 2HB ALA 113 6.807 4.895 9.851 869 3HB ALA 113 3HB ALA 113 8.540 5.034 10.155 870 H LEU 114 H LEU 114 5.647 3.451 8.293 871 HA LEU 114 HA LEU 114 4.389 1.338 9.724 872 1HB LEU 114 2HB LEU 114 3.208 3.389 9.144 873 2HB LEU 114 1HB LEU 114 3.416 3.046 7.439 874 HG LEU 114 HG LEU 114 2.065 0.910 7.885 875 1HD1 LEU 114 1HD1 LEU 114 1.941 0.670 10.182 876 2HD1 LEU 114 2HD1 LEU 114 0.396 1.437 9.814 877 3HD1 LEU 114 3HD1 LEU 114 1.729 2.399 10.453 878 1HD2 LEU 114 1HD2 LEU 114 1.313 3.014 6.717 879 2HD2 LEU 114 2HD2 LEU 114 0.598 3.498 8.253 880 3HD2 LEU 114 3HD2 LEU 114 0.035 2.040 7.445 881 H VAL 115 H VAL 115 6.023 1.552 6.695 882 HA VAL 115 HA VAL 115 4.675 -0.703 5.544 883 HB VAL 115 HB VAL 115 5.800 1.169 4.207 884 1HG1 VAL 115 1HG1 VAL 115 8.257 -0.404 3.995 885 2HG1 VAL 115 2HG1 VAL 115 8.067 0.434 5.530 886 3HG1 VAL 115 3HG1 VAL 115 8.023 1.340 4.025 887 1HG2 VAL 115 1HG2 VAL 115 5.158 -1.443 3.618 888 2HG2 VAL 115 2HG2 VAL 115 6.790 -1.269 2.974 889 3HG2 VAL 115 3HG2 VAL 115 5.516 -0.172 2.452 890 H GLU 116 H GLU 116 7.696 -0.178 7.255 891 HA GLU 116 HA GLU 116 8.738 -2.783 6.848 892 1HB GLU 116 2HB GLU 116 9.326 -0.712 8.963 893 2HB GLU 116 1HB GLU 116 10.238 -2.202 8.763 894 1HG GLU 116 2HG GLU 116 11.075 -1.533 6.670 895 2HG GLU 116 1HG GLU 116 9.909 -0.218 6.537 896 H ARG 117 H ARG 117 6.735 -1.315 9.335 897 HA ARG 117 HA ARG 117 6.779 -3.455 11.152 898 1HB ARG 117 2HB ARG 117 4.782 -1.251 10.668 899 2HB ARG 117 1HB ARG 117 4.593 -2.428 11.961 900 1HG ARG 117 2HG ARG 117 7.148 -0.912 11.744 901 2HG ARG 117 1HG ARG 117 5.721 -0.118 12.412 902 1HD ARG 117 2HD ARG 117 6.116 -2.774 13.508 903 2HD ARG 117 1HD ARG 117 7.508 -1.730 13.783 904 HE ARG 117 HE ARG 117 5.625 -0.113 14.605 905 1HH1 ARG 117 1HH1 ARG 117 5.865 -3.558 15.158 906 2HH1 ARG 117 2HH1 ARG 117 4.996 -3.499 16.653 907 1HH2 ARG 117 1HH2 ARG 117 4.489 -0.046 16.578 908 2HH2 ARG 117 2HH2 ARG 117 4.216 -1.512 17.459 909 H ALA 118 H ALA 118 5.015 -2.937 8.224 910 HA ALA 118 HA ALA 118 2.958 -4.828 8.674 911 1HB ALA 118 1HB ALA 118 3.718 -4.421 5.883 912 2HB ALA 118 2HB ALA 118 3.430 -2.928 6.774 913 3HB ALA 118 3HB ALA 118 2.171 -4.159 6.687 914 H ILE 119 H ILE 119 6.090 -5.001 7.023 915 HA ILE 119 HA ILE 119 5.846 -7.650 6.114 916 HB ILE 119 HB ILE 119 8.388 -6.208 6.863 917 1HG1 ILE 119 2HG1 ILE 119 7.481 -6.334 4.047 918 2HG1 ILE 119 1HG1 ILE 119 6.579 -5.256 5.109 919 1HG2 ILE 119 1HG2 ILE 119 7.837 -8.547 5.046 920 2HG2 ILE 119 2HG2 ILE 119 8.799 -8.541 6.524 921 3HG2 ILE 119 3HG2 ILE 119 9.368 -7.675 5.097 922 1HD1 ILE 119 1HD1 ILE 119 9.564 -5.177 4.928 923 2HD1 ILE 119 2HD1 ILE 119 8.462 -3.962 5.570 924 3HD1 ILE 119 3HD1 ILE 119 8.525 -4.264 3.835 925 H SER 120 H SER 120 6.793 -6.275 9.148 926 HA SER 120 HA SER 120 7.868 -8.674 10.255 927 1HB SER 120 2HB SER 120 8.451 -6.322 10.988 928 2HB SER 120 1HB SER 120 6.876 -6.261 11.776 929 HG SER 120 HG SER 120 8.831 -6.986 13.028 930 H HIS 121 H HIS 121 4.819 -6.892 10.701 931 HA HIS 121 HA HIS 121 3.656 -8.732 12.489 932 1HB HIS 121 2HB HIS 121 2.639 -6.507 10.788 933 2HB HIS 121 1HB HIS 121 1.469 -7.638 11.462 934 HD1 HIS 121 1HD HIS 121 3.900 -4.970 12.442 935 HD2 HIS 121 2HD HIS 121 1.075 -7.443 14.220 936 HE1 HIS 121 1HE HIS 121 3.587 -4.067 14.767 937 HE2 HIS 121 2HE HIS 121 1.937 -5.633 15.852 938 H TYR 122 H TYR 122 3.894 -8.657 9.036 939 HA TYR 122 HA TYR 122 1.821 -10.486 8.453 940 1HB TYR 122 2HB TYR 122 3.183 -8.878 6.888 941 2HB TYR 122 1HB TYR 122 4.254 -10.265 6.721 942 HD1 TYR 122 1HD TYR 122 3.916 -10.991 4.535 943 HD2 TYR 122 2HD TYR 122 0.536 -10.193 6.993 944 HE1 TYR 122 1HE TYR 122 2.442 -11.922 2.802 945 HE2 TYR 122 2HE TYR 122 -0.947 -11.121 5.267 946 HH TYR 122 HH TYR 122 0.267 -12.071 2.107 947 H GLN 123 H GLN 123 5.358 -10.978 8.534 948 HA GLN 123 HA GLN 123 5.065 -13.820 8.429 949 1HB GLN 123 2HB GLN 123 7.220 -11.910 8.204 950 2HB GLN 123 1HB GLN 123 7.676 -13.258 9.235 951 1HG GLN 123 2HG GLN 123 8.327 -13.995 7.158 952 2HG GLN 123 1HG GLN 123 6.730 -14.724 7.324 953 1HE2 GLN 123 1HE2 GLN 123 4.934 -13.128 6.547 954 2HE2 GLN 123 2HE2 GLN 123 5.218 -12.433 4.994 955 H GLU 124 H GLU 124 6.363 -15.164 10.067 956 HA GLU 124 HA GLU 124 6.546 -15.998 12.172 957 1HB GLU 124 2HB GLU 124 7.367 -13.311 12.344 958 2HB GLU 124 1HB GLU 124 6.316 -13.578 13.728 959 1HG GLU 124 2HG GLU 124 7.712 -15.142 14.663 960 2HG GLU 124 1HG GLU 124 8.456 -15.559 13.120 Start of MODEL 15 1 1H MET 1 1HT MET 1 13.518 -17.786 2.171 2 2H MET 1 2HT MET 1 12.449 -16.894 1.168 3 3H MET 1 3HT MET 1 12.356 -18.607 1.219 4 HA MET 1 HA MET 1 11.164 -18.643 3.040 5 1HB MET 1 2HB MET 1 13.180 -16.631 3.862 6 2HB MET 1 1HB MET 1 11.647 -16.576 4.722 7 1HG MET 1 2HG MET 1 12.532 -19.285 4.545 8 2HG MET 1 1HG MET 1 13.838 -18.281 5.169 9 1HE MET 1 1HE MET 1 10.512 -20.089 7.321 10 2HE MET 1 2HE MET 1 12.196 -20.614 7.318 11 3HE MET 1 3HE MET 1 11.318 -20.455 5.796 12 H GLN 2 H GLN 2 11.699 -15.141 2.729 13 HA GLN 2 HA GLN 2 8.869 -14.854 1.976 14 1HB GLN 2 2HB GLN 2 9.418 -14.100 4.317 15 2HB GLN 2 1HB GLN 2 10.450 -12.867 3.605 16 1HG GLN 2 2HG GLN 2 8.706 -11.604 2.912 17 2HG GLN 2 1HG GLN 2 7.660 -12.998 2.641 18 1HE2 GLN 2 1HE2 GLN 2 8.692 -10.589 4.854 19 2HE2 GLN 2 2HE2 GLN 2 7.601 -10.979 6.135 20 H ARG 3 H ARG 3 12.148 -13.845 1.506 21 HA ARG 3 HA ARG 3 13.193 -12.865 -0.256 22 1HB ARG 3 2HB ARG 3 11.661 -14.038 -1.742 23 2HB ARG 3 1HB ARG 3 10.445 -12.795 -1.502 24 1HG ARG 3 2HG ARG 3 11.243 -11.883 -3.366 25 2HG ARG 3 1HG ARG 3 12.592 -11.339 -2.373 26 1HD ARG 3 2HD ARG 3 14.031 -12.759 -3.341 27 2HD ARG 3 1HD ARG 3 12.869 -14.084 -3.330 28 HE ARG 3 HE ARG 3 12.705 -11.938 -5.337 29 1HH1 ARG 3 1HH1 ARG 3 13.005 -15.328 -4.535 30 2HH1 ARG 3 2HH1 ARG 3 12.760 -15.857 -6.163 31 1HH2 ARG 3 1HH2 ARG 3 12.408 -12.642 -7.479 32 2HH2 ARG 3 2HH2 ARG 3 12.431 -14.337 -7.833 33 H GLY 4 H GLY 4 10.511 -11.404 1.313 34 1HA GLY 4 2HA GLY 4 10.033 -9.241 1.862 35 2HA GLY 4 1HA GLY 4 11.758 -8.951 1.682 36 H ILE 5 H ILE 5 8.698 -9.097 -0.054 37 HA ILE 5 HA ILE 5 9.834 -7.277 -2.079 38 HB ILE 5 HB ILE 5 7.415 -9.028 -2.481 39 1HG1 ILE 5 2HG1 ILE 5 9.335 -10.150 -4.048 40 2HG1 ILE 5 1HG1 ILE 5 10.281 -9.690 -2.636 41 1HG2 ILE 5 1HG2 ILE 5 7.218 -8.027 -4.452 42 2HG2 ILE 5 2HG2 ILE 5 8.911 -8.334 -4.838 43 3HG2 ILE 5 3HG2 ILE 5 8.461 -6.887 -3.937 44 1HD1 ILE 5 1HD1 ILE 5 7.722 -11.126 -2.205 45 2HD1 ILE 5 2HD1 ILE 5 9.220 -11.171 -1.275 46 3HD1 ILE 5 3HD1 ILE 5 9.109 -12.031 -2.811 47 H VAL 6 H VAL 6 9.186 -5.252 -1.682 48 HA VAL 6 HA VAL 6 6.460 -4.844 -0.651 49 HB VAL 6 HB VAL 6 8.127 -3.894 0.832 50 1HG1 VAL 6 1HG1 VAL 6 9.174 -1.767 -0.730 51 2HG1 VAL 6 2HG1 VAL 6 9.461 -3.273 -1.588 52 3HG1 VAL 6 3HG1 VAL 6 10.039 -3.080 0.064 53 1HG2 VAL 6 1HG2 VAL 6 5.940 -2.613 -0.103 54 2HG2 VAL 6 2HG2 VAL 6 7.188 -1.412 -0.443 55 3HG2 VAL 6 3HG2 VAL 6 6.956 -2.003 1.204 56 H TRP 7 H TRP 7 5.000 -3.860 -1.880 57 HA TRP 7 HA TRP 7 5.937 -2.521 -4.327 58 1HB TRP 7 2HB TRP 7 3.585 -4.322 -3.832 59 2HB TRP 7 1HB TRP 7 3.555 -3.163 -5.161 60 HD1 TRP 7 HD1 TRP 7 7.001 -4.367 -4.691 61 HE1 TRP 7 1HE TRP 7 7.610 -6.135 -6.442 62 HE3 TRP 7 3HE TRP 7 2.315 -5.375 -6.462 63 HZ2 TRP 7 2HZ TRP 7 6.278 -7.766 -8.321 64 HZ3 TRP 7 3HZ TRP 7 2.073 -7.057 -8.243 65 HH2 TRP 7 HH2 TRP 7 4.016 -8.227 -9.149 66 H VAL 8 H VAL 8 5.137 -0.524 -4.819 67 HA VAL 8 HA VAL 8 3.298 0.672 -2.844 68 HB VAL 8 HB VAL 8 5.150 2.481 -4.276 69 1HG1 VAL 8 1HG1 VAL 8 4.837 3.830 -2.477 70 2HG1 VAL 8 2HG1 VAL 8 4.764 2.486 -1.338 71 3HG1 VAL 8 3HG1 VAL 8 3.369 2.861 -2.350 72 1HG2 VAL 8 1HG2 VAL 8 7.041 1.440 -3.727 73 2HG2 VAL 8 2HG2 VAL 8 6.176 0.218 -2.797 74 3HG2 VAL 8 3HG2 VAL 8 6.638 1.737 -2.038 75 H VAL 9 H VAL 9 1.774 2.169 -3.586 76 HA VAL 9 HA VAL 9 1.598 2.455 -6.505 77 HB VAL 9 HB VAL 9 -1.017 2.415 -5.198 78 1HG1 VAL 9 1HG1 VAL 9 -0.751 0.460 -7.245 79 2HG1 VAL 9 2HG1 VAL 9 0.169 1.882 -7.724 80 3HG1 VAL 9 3HG1 VAL 9 -1.519 2.031 -7.315 81 1HG2 VAL 9 1HG2 VAL 9 -1.061 -0.095 -5.049 82 2HG2 VAL 9 2HG2 VAL 9 -0.137 0.715 -3.786 83 3HG2 VAL 9 3HG2 VAL 9 0.702 -0.058 -5.133 84 H ASP 10 H ASP 10 1.937 4.523 -6.906 85 HA ASP 10 HA ASP 10 0.202 6.543 -5.842 86 1HB ASP 10 2HB ASP 10 2.279 6.072 -4.214 87 2HB ASP 10 1HB ASP 10 3.054 7.196 -5.327 88 H ASP 11 H ASP 11 1.928 8.751 -6.458 89 HA ASP 11 HA ASP 11 1.469 8.951 -9.232 90 1HB ASP 11 2HB ASP 11 1.867 10.753 -7.265 91 2HB ASP 11 1HB ASP 11 3.456 10.783 -8.025 92 H ASP 12 H ASP 12 3.860 7.224 -7.723 93 HA ASP 12 HA ASP 12 5.753 6.212 -8.476 94 1HB ASP 12 2HB ASP 12 4.207 6.288 -10.648 95 2HB ASP 12 1HB ASP 12 5.472 7.374 -11.212 96 H SER 13 H SER 13 7.361 7.468 -10.764 97 HA SER 13 HA SER 13 9.356 8.582 -10.677 98 1HB SER 13 2HB SER 13 8.958 10.858 -11.222 99 2HB SER 13 1HB SER 13 7.570 9.926 -11.790 100 HG SER 13 HG SER 13 6.548 10.557 -9.757 101 H SER 14 H SER 14 8.153 11.192 -8.773 102 HA SER 14 HA SER 14 10.308 11.235 -7.029 103 1HB SER 14 2HB SER 14 7.618 12.495 -7.084 104 2HB SER 14 1HB SER 14 8.474 12.512 -5.540 105 HG SER 14 HG SER 14 9.621 13.375 -7.984 106 H ILE 15 H ILE 15 7.047 9.907 -6.435 107 HA ILE 15 HA ILE 15 7.574 9.034 -3.816 108 HB ILE 15 HB ILE 15 5.619 7.746 -5.713 109 1HG1 ILE 15 2HG1 ILE 15 5.325 10.204 -5.695 110 2HG1 ILE 15 1HG1 ILE 15 3.968 9.374 -4.945 111 1HG2 ILE 15 1HG2 ILE 15 4.415 7.125 -3.730 112 2HG2 ILE 15 2HG2 ILE 15 5.527 8.043 -2.716 113 3HG2 ILE 15 3HG2 ILE 15 6.092 6.602 -3.559 114 1HD1 ILE 15 1HD1 ILE 15 4.889 9.891 -2.737 115 2HD1 ILE 15 2HD1 ILE 15 4.570 11.344 -3.686 116 3HD1 ILE 15 3HD1 ILE 15 6.222 10.751 -3.507 117 H ARG 16 H ARG 16 8.393 7.722 -6.893 118 HA ARG 16 HA ARG 16 8.828 5.032 -6.028 119 1HB ARG 16 2HB ARG 16 8.383 5.660 -8.396 120 2HB ARG 16 1HB ARG 16 9.953 6.448 -8.450 121 1HG ARG 16 2HG ARG 16 11.107 4.423 -8.266 122 2HG ARG 16 1HG ARG 16 9.676 3.556 -7.720 123 1HD ARG 16 2HD ARG 16 8.811 3.377 -9.838 124 2HD ARG 16 1HD ARG 16 9.642 4.821 -10.415 125 HE ARG 16 HE ARG 16 11.384 2.623 -9.735 126 1HH1 ARG 16 1HH1 ARG 16 9.514 4.135 -12.264 127 2HH1 ARG 16 2HH1 ARG 16 10.439 3.424 -13.542 128 1HH2 ARG 16 1HH2 ARG 16 12.606 1.697 -11.415 129 2HH2 ARG 16 2HH2 ARG 16 12.196 2.043 -13.062 130 H TRP 17 H TRP 17 11.037 7.676 -6.921 131 HA TRP 17 HA TRP 17 13.423 6.421 -6.289 132 1HB TRP 17 2HB TRP 17 13.055 8.635 -7.492 133 2HB TRP 17 1HB TRP 17 12.973 9.365 -5.893 134 HD1 TRP 17 HD1 TRP 17 15.449 7.386 -8.101 135 HE1 TRP 17 1HE TRP 17 17.838 8.018 -7.380 136 HE3 TRP 17 3HE TRP 17 14.321 10.352 -4.099 137 HZ2 TRP 17 2HZ TRP 17 19.081 9.569 -5.375 138 HZ3 TRP 17 3HZ TRP 17 16.171 11.370 -2.826 139 HH2 TRP 17 HH2 TRP 17 18.499 10.985 -3.453 140 H VAL 18 H VAL 18 11.329 8.350 -4.169 141 HA VAL 18 HA VAL 18 13.094 8.356 -1.980 142 HB VAL 18 HB VAL 18 10.111 8.507 -1.702 143 1HG1 VAL 18 1HG1 VAL 18 12.047 10.190 -0.194 144 2HG1 VAL 18 2HG1 VAL 18 11.891 8.488 0.239 145 3HG1 VAL 18 3HG1 VAL 18 10.481 9.547 0.302 146 1HG2 VAL 18 1HG2 VAL 18 11.709 10.165 -3.351 147 2HG2 VAL 18 2HG2 VAL 18 11.257 11.105 -1.930 148 3HG2 VAL 18 3HG2 VAL 18 10.009 10.355 -2.925 149 H LEU 19 H LEU 19 10.380 6.252 -2.760 150 HA LEU 19 HA LEU 19 10.804 4.691 -0.397 151 1HB LEU 19 2HB LEU 19 8.675 5.053 -2.245 152 2HB LEU 19 1HB LEU 19 9.039 3.340 -2.150 153 HG LEU 19 HG LEU 19 8.768 3.420 0.296 154 1HD1 LEU 19 1HD1 LEU 19 7.806 6.244 -0.095 155 2HD1 LEU 19 2HD1 LEU 19 9.416 5.828 0.492 156 3HD1 LEU 19 3HD1 LEU 19 7.992 5.364 1.423 157 1HD2 LEU 19 1HD2 LEU 19 6.222 4.364 0.021 158 2HD2 LEU 19 2HD2 LEU 19 6.752 2.736 -0.398 159 3HD2 LEU 19 3HD2 LEU 19 6.650 3.978 -1.646 160 H GLU 20 H GLU 20 11.799 4.462 -3.712 161 HA GLU 20 HA GLU 20 12.247 1.674 -3.737 162 1HB GLU 20 2HB GLU 20 13.491 1.983 -5.739 163 2HB GLU 20 1HB GLU 20 12.137 3.094 -5.782 164 1HG GLU 20 2HG GLU 20 13.646 4.913 -5.135 165 2HG GLU 20 1HG GLU 20 14.994 3.778 -5.153 166 H ARG 21 H ARG 21 14.601 4.309 -3.404 167 HA ARG 21 HA ARG 21 16.764 2.638 -2.732 168 1HB ARG 21 2HB ARG 21 16.298 5.582 -2.291 169 2HB ARG 21 1HB ARG 21 17.821 4.784 -1.929 170 1HG ARG 21 2HG ARG 21 16.916 4.178 -4.608 171 2HG ARG 21 1HG ARG 21 17.058 5.916 -4.341 172 1HD ARG 21 2HD ARG 21 19.304 5.836 -4.134 173 2HD ARG 21 1HD ARG 21 19.283 4.274 -3.321 174 HE ARG 21 HE ARG 21 18.800 3.358 -5.637 175 1HH1 ARG 21 1HH1 ARG 21 20.697 6.254 -5.113 176 2HH1 ARG 21 2HH1 ARG 21 21.589 6.075 -6.583 177 1HH2 ARG 21 1HH2 ARG 21 19.978 3.139 -7.568 178 2HH2 ARG 21 2HH2 ARG 21 21.183 4.315 -7.974 179 H ALA 22 H ALA 22 14.717 4.691 -0.654 180 HA ALA 22 HA ALA 22 15.947 4.100 1.757 181 1HB ALA 22 1HB ALA 22 13.019 4.675 1.364 182 2HB ALA 22 2HB ALA 22 14.286 5.899 1.423 183 3HB ALA 22 3HB ALA 22 13.952 4.908 2.843 184 H LEU 23 H LEU 23 13.275 2.421 0.201 185 HA LEU 23 HA LEU 23 13.064 0.515 2.322 186 1HB LEU 23 2HB LEU 23 11.435 1.253 0.227 187 2HB LEU 23 1HB LEU 23 11.962 -0.360 -0.223 188 HG LEU 23 HG LEU 23 10.807 0.268 2.480 189 1HD1 LEU 23 1HD1 LEU 23 8.856 -1.096 1.133 190 2HD1 LEU 23 2HD1 LEU 23 9.447 0.038 -0.083 191 3HD1 LEU 23 3HD1 LEU 23 8.860 0.635 1.469 192 1HD2 LEU 23 1HD2 LEU 23 11.491 -2.219 0.964 193 2HD2 LEU 23 2HD2 LEU 23 10.268 -2.243 2.234 194 3HD2 LEU 23 3HD2 LEU 23 11.923 -1.755 2.611 195 H ALA 24 H ALA 24 14.943 0.800 -0.548 196 HA ALA 24 HA ALA 24 15.628 -1.947 -0.807 197 1HB ALA 24 1HB ALA 24 15.926 -0.228 -2.618 198 2HB ALA 24 2HB ALA 24 17.344 -1.231 -2.318 199 3HB ALA 24 3HB ALA 24 17.282 0.418 -1.695 200 H GLY 25 H GLY 25 16.806 0.803 1.027 201 1HA GLY 25 2HA GLY 25 19.220 -0.366 1.946 202 2HA GLY 25 1HA GLY 25 18.346 0.948 2.728 203 H ALA 26 H ALA 26 15.895 -0.812 2.768 204 HA ALA 26 HA ALA 26 16.364 -1.962 5.343 205 1HB ALA 26 1HB ALA 26 14.258 -0.889 4.988 206 2HB ALA 26 2HB ALA 26 13.954 -2.614 5.186 207 3HB ALA 26 3HB ALA 26 13.919 -1.893 3.575 208 H GLY 27 H GLY 27 16.616 -3.034 2.129 209 1HA GLY 27 2HA GLY 27 17.636 -5.089 1.578 210 2HA GLY 27 1HA GLY 27 17.043 -5.763 3.085 211 H LEU 28 H LEU 28 14.836 -4.002 0.990 212 HA LEU 28 HA LEU 28 13.821 -6.554 0.019 213 1HB LEU 28 2HB LEU 28 11.794 -4.524 0.716 214 2HB LEU 28 1HB LEU 28 11.697 -6.272 0.768 215 HG LEU 28 HG LEU 28 13.467 -5.868 2.733 216 1HD1 LEU 28 1HD1 LEU 28 13.228 -3.948 3.912 217 2HD1 LEU 28 2HD1 LEU 28 11.630 -3.610 3.249 218 3HD1 LEU 28 3HD1 LEU 28 13.066 -3.349 2.261 219 1HD2 LEU 28 1HD2 LEU 28 11.841 -6.678 4.079 220 2HD2 LEU 28 2HD2 LEU 28 11.002 -6.890 2.542 221 3HD2 LEU 28 3HD2 LEU 28 10.657 -5.483 3.549 222 H THR 29 H THR 29 12.195 -6.344 -1.724 223 HA THR 29 HA THR 29 13.219 -4.504 -3.727 224 HB THR 29 HB THR 29 11.297 -6.831 -3.843 225 HG1 THR 29 1HG THR 29 13.061 -7.879 -4.177 226 1HG2 THR 29 1HG2 THR 29 10.464 -5.822 -5.671 227 2HG2 THR 29 2HG2 THR 29 11.922 -6.480 -6.412 228 3HG2 THR 29 3HG2 THR 29 11.880 -4.794 -5.890 229 H CYS 30 H CYS 30 12.394 -2.523 -3.741 230 HA CYS 30 HA CYS 30 9.526 -2.173 -3.219 231 1HB CYS 30 2HB CYS 30 10.935 -0.920 -1.716 232 2HB CYS 30 1HB CYS 30 11.806 -0.205 -3.066 233 HG CYS 30 HG CYS 30 8.800 0.460 -2.845 234 H THR 31 H THR 31 8.334 -2.088 -4.965 235 HA THR 31 HA THR 31 9.329 -0.544 -7.265 236 HB THR 31 HB THR 31 8.939 -3.116 -7.562 237 HG1 THR 31 1HG THR 31 7.573 -1.350 -9.314 238 1HG2 THR 31 1HG2 THR 31 6.918 -3.977 -7.419 239 2HG2 THR 31 2HG2 THR 31 6.229 -2.697 -8.409 240 3HG2 THR 31 3HG2 THR 31 6.383 -2.477 -6.665 241 H THR 32 H THR 32 7.657 0.707 -8.380 242 HA THR 32 HA THR 32 5.347 1.250 -6.657 243 HB THR 32 HB THR 32 5.544 3.609 -7.111 244 HG1 THR 32 1HG THR 32 6.981 4.427 -8.492 245 1HG2 THR 32 1HG2 THR 32 8.352 3.206 -6.503 246 2HG2 THR 32 2HG2 THR 32 7.281 2.191 -5.540 247 3HG2 THR 32 3HG2 THR 32 7.075 3.945 -5.539 248 H PHE 33 H PHE 33 3.561 2.395 -7.756 249 HA PHE 33 HA PHE 33 3.326 1.591 -10.571 250 1HB PHE 33 2HB PHE 33 1.260 1.216 -8.412 251 2HB PHE 33 1HB PHE 33 1.013 0.879 -10.115 252 HD1 PHE 33 1HD PHE 33 1.151 -1.315 -10.718 253 HD2 PHE 33 2HD PHE 33 3.492 0.029 -7.454 254 HE1 PHE 33 1HE PHE 33 2.017 -3.580 -10.419 255 HE2 PHE 33 2HE PHE 33 4.389 -2.238 -7.146 256 HZ PHE 33 HZ PHE 33 3.634 -4.064 -8.639 257 H GLU 34 H GLU 34 1.267 2.588 -11.560 258 HA GLU 34 HA GLU 34 1.592 5.365 -11.577 259 1HB GLU 34 2HB GLU 34 -0.418 5.371 -13.034 260 2HB GLU 34 1HB GLU 34 0.803 4.201 -13.516 261 1HG GLU 34 2HG GLU 34 -1.063 2.921 -13.711 262 2HG GLU 34 1HG GLU 34 -0.622 2.578 -12.041 263 H ASN 35 H ASN 35 -1.040 3.425 -10.082 264 HA ASN 35 HA ASN 35 -1.491 5.548 -8.229 265 1HB ASN 35 2HB ASN 35 -2.718 6.283 -10.293 266 2HB ASN 35 1HB ASN 35 -3.777 4.893 -10.059 267 1HD2 ASN 35 1HD2 ASN 35 -4.909 4.758 -7.994 268 2HD2 ASN 35 2HD2 ASN 35 -5.403 6.219 -7.218 269 H GLY 36 H GLY 36 -3.260 2.800 -9.585 270 1HA GLY 36 2HA GLY 36 -3.116 1.379 -7.084 271 2HA GLY 36 1HA GLY 36 -4.706 2.053 -7.388 272 H ASN 37 H ASN 37 -4.899 1.656 -10.141 273 HA ASN 37 HA ASN 37 -5.704 -1.043 -10.195 274 1HB ASN 37 2HB ASN 37 -5.598 1.149 -12.223 275 2HB ASN 37 1HB ASN 37 -5.951 -0.498 -12.740 276 1HD2 ASN 37 1HD2 ASN 37 -7.620 -1.585 -11.193 277 2HD2 ASN 37 2HD2 ASN 37 -9.028 -0.642 -10.863 278 H GLU 38 H GLU 38 -2.753 0.526 -11.134 279 HA GLU 38 HA GLU 38 -1.796 -1.363 -12.957 280 1HB GLU 38 2HB GLU 38 -0.824 0.919 -12.306 281 2HB GLU 38 1HB GLU 38 -0.001 0.055 -11.024 282 1HG GLU 38 2HG GLU 38 1.315 -1.155 -12.518 283 2HG GLU 38 1HG GLU 38 0.229 -0.838 -13.869 284 H VAL 39 H VAL 39 -1.282 -1.252 -9.379 285 HA VAL 39 HA VAL 39 0.242 -3.622 -9.312 286 HB VAL 39 HB VAL 39 -1.578 -2.768 -7.075 287 1HG1 VAL 39 1HG1 VAL 39 -0.322 -4.961 -7.039 288 2HG1 VAL 39 2HG1 VAL 39 -0.062 -3.891 -5.667 289 3HG1 VAL 39 3HG1 VAL 39 1.151 -4.006 -6.939 290 1HG2 VAL 39 1HG2 VAL 39 0.102 -1.018 -8.214 291 2HG2 VAL 39 2HG2 VAL 39 1.216 -1.824 -7.112 292 3HG2 VAL 39 3HG2 VAL 39 -0.239 -1.059 -6.491 293 H LEU 40 H LEU 40 -3.222 -3.105 -9.283 294 HA LEU 40 HA LEU 40 -4.071 -5.641 -8.512 295 1HB LEU 40 2HB LEU 40 -5.418 -3.940 -10.594 296 2HB LEU 40 1HB LEU 40 -6.169 -5.109 -9.521 297 HG LEU 40 HG LEU 40 -4.941 -2.482 -8.689 298 1HD1 LEU 40 1HD1 LEU 40 -6.919 -1.736 -9.448 299 2HD1 LEU 40 2HD1 LEU 40 -7.516 -2.381 -7.932 300 3HD1 LEU 40 3HD1 LEU 40 -7.660 -3.332 -9.409 301 1HD2 LEU 40 1HD2 LEU 40 -4.637 -3.633 -6.768 302 2HD2 LEU 40 2HD2 LEU 40 -5.846 -4.850 -7.179 303 3HD2 LEU 40 3HD2 LEU 40 -6.354 -3.278 -6.561 304 H ALA 41 H ALA 41 -3.143 -4.406 -11.669 305 HA ALA 41 HA ALA 41 -3.721 -6.850 -13.049 306 1HB ALA 41 1HB ALA 41 -2.004 -4.591 -14.030 307 2HB ALA 41 2HB ALA 41 -3.767 -4.557 -14.082 308 3HB ALA 41 3HB ALA 41 -2.882 -5.781 -14.993 309 H ALA 42 H ALA 42 -0.799 -5.185 -12.027 310 HA ALA 42 HA ALA 42 1.065 -7.046 -12.998 311 1HB ALA 42 1HB ALA 42 2.633 -5.718 -12.064 312 2HB ALA 42 2HB ALA 42 1.798 -5.632 -10.512 313 3HB ALA 42 3HB ALA 42 1.276 -4.612 -11.855 314 H LEU 43 H LEU 43 -0.710 -6.862 -9.976 315 HA LEU 43 HA LEU 43 0.703 -8.839 -8.573 316 1HB LEU 43 2HB LEU 43 -2.009 -7.629 -8.343 317 2HB LEU 43 1HB LEU 43 -1.653 -9.080 -7.422 318 HG LEU 43 HG LEU 43 0.025 -6.594 -7.270 319 1HD1 LEU 43 1HD1 LEU 43 -2.220 -7.477 -5.459 320 2HD1 LEU 43 2HD1 LEU 43 -2.251 -6.082 -6.537 321 3HD1 LEU 43 3HD1 LEU 43 -1.138 -6.117 -5.168 322 1HD2 LEU 43 1HD2 LEU 43 0.352 -7.901 -4.956 323 2HD2 LEU 43 2HD2 LEU 43 1.363 -8.170 -6.374 324 3HD2 LEU 43 3HD2 LEU 43 0.022 -9.264 -6.026 325 H ALA 44 H ALA 44 -1.589 -9.028 -11.115 326 HA ALA 44 HA ALA 44 -2.735 -11.523 -10.728 327 1HB ALA 44 1HB ALA 44 -2.004 -10.760 -13.494 328 2HB ALA 44 2HB ALA 44 -3.021 -9.645 -12.585 329 3HB ALA 44 3HB ALA 44 -3.547 -11.308 -12.839 330 H SER 45 H SER 45 0.523 -10.752 -11.490 331 HA SER 45 HA SER 45 1.056 -13.574 -12.021 332 1HB SER 45 2HB SER 45 1.756 -11.263 -13.600 333 2HB SER 45 1HB SER 45 3.203 -12.137 -13.101 334 HG SER 45 HG SER 45 2.053 -14.065 -13.886 335 H LYS 46 H LYS 46 1.387 -11.303 -9.716 336 HA LYS 46 HA LYS 46 3.476 -12.736 -8.401 337 1HB LYS 46 2HB LYS 46 4.311 -10.636 -10.018 338 2HB LYS 46 1HB LYS 46 4.272 -9.946 -8.403 339 1HG LYS 46 2HG LYS 46 5.500 -12.499 -8.242 340 2HG LYS 46 1HG LYS 46 6.248 -11.597 -9.564 341 1HD LYS 46 2HD LYS 46 7.246 -10.156 -8.164 342 2HD LYS 46 1HD LYS 46 5.800 -9.993 -7.164 343 1HE LYS 46 2HE LYS 46 6.426 -12.386 -6.350 344 2HE LYS 46 1HE LYS 46 8.025 -11.980 -6.971 345 1HZ LYS 46 1HZ LYS 46 6.507 -10.493 -4.897 346 2HZ LYS 46 2HZ LYS 46 7.987 -9.992 -5.545 347 3HZ LYS 46 3HZ LYS 46 7.897 -11.428 -4.655 348 H THR 47 H THR 47 3.742 -12.086 -6.173 349 HA THR 47 HA THR 47 1.767 -10.199 -5.178 350 HB THR 47 HB THR 47 2.072 -13.039 -4.201 351 HG1 THR 47 1HG THR 47 -0.057 -13.234 -4.894 352 1HG2 THR 47 1HG2 THR 47 0.032 -11.113 -3.172 353 2HG2 THR 47 2HG2 THR 47 1.616 -11.265 -2.405 354 3HG2 THR 47 3HG2 THR 47 0.541 -12.662 -2.501 355 HA PRO 48 HA PRO 48 5.511 -9.330 -2.802 356 1HB PRO 48 2HB PRO 48 4.849 -6.848 -2.005 357 2HB PRO 48 1HB PRO 48 5.386 -7.181 -3.656 358 1HG PRO 48 2HG PRO 48 2.629 -6.734 -2.610 359 2HG PRO 48 1HG PRO 48 3.353 -6.202 -4.136 360 1HD PRO 48 2HD PRO 48 1.691 -8.387 -3.852 361 2HD PRO 48 1HD PRO 48 2.827 -8.145 -5.189 362 H ASP 49 H ASP 49 5.955 -8.917 -0.519 363 HA ASP 49 HA ASP 49 4.051 -10.218 1.165 364 1HB ASP 49 2HB ASP 49 6.601 -8.780 1.941 365 2HB ASP 49 1HB ASP 49 5.703 -9.920 2.940 366 H VAL 50 H VAL 50 4.724 -6.923 0.367 367 HA VAL 50 HA VAL 50 2.613 -6.053 2.192 368 HB VAL 50 HB VAL 50 4.681 -5.679 3.435 369 1HG1 VAL 50 1HG1 VAL 50 5.877 -5.327 1.060 370 2HG1 VAL 50 2HG1 VAL 50 6.567 -4.791 2.588 371 3HG1 VAL 50 3HG1 VAL 50 5.700 -3.651 1.567 372 1HG2 VAL 50 1HG2 VAL 50 2.709 -3.895 3.158 373 2HG2 VAL 50 2HG2 VAL 50 4.057 -2.916 2.583 374 3HG2 VAL 50 3HG2 VAL 50 4.106 -3.625 4.196 375 H LEU 51 H LEU 51 1.819 -3.840 1.617 376 HA LEU 51 HA LEU 51 2.600 -2.844 -0.987 377 1HB LEU 51 2HB LEU 51 0.965 -4.689 -1.390 378 2HB LEU 51 1HB LEU 51 -0.234 -3.759 -0.519 379 HG LEU 51 HG LEU 51 0.093 -1.934 -2.241 380 1HD1 LEU 51 1HD1 LEU 51 1.383 -2.228 -4.091 381 2HD1 LEU 51 2HD1 LEU 51 1.212 -3.987 -4.070 382 3HD1 LEU 51 3HD1 LEU 51 2.318 -3.192 -2.949 383 1HD2 LEU 51 1HD2 LEU 51 -1.094 -4.617 -2.746 384 2HD2 LEU 51 2HD2 LEU 51 -1.052 -3.451 -4.069 385 3HD2 LEU 51 3HD2 LEU 51 -1.881 -3.048 -2.565 386 H LEU 52 H LEU 52 2.350 -0.721 -1.165 387 HA LEU 52 HA LEU 52 0.827 0.693 0.925 388 1HB LEU 52 2HB LEU 52 3.488 0.898 0.285 389 2HB LEU 52 1HB LEU 52 2.792 2.215 -0.634 390 HG LEU 52 HG LEU 52 2.549 1.832 2.346 391 1HD1 LEU 52 1HD1 LEU 52 4.208 3.380 2.624 392 2HD1 LEU 52 2HD1 LEU 52 3.922 4.133 1.055 393 3HD1 LEU 52 3HD1 LEU 52 4.769 2.589 1.149 394 1HD2 LEU 52 1HD2 LEU 52 1.113 3.508 0.432 395 2HD2 LEU 52 2HD2 LEU 52 1.842 4.414 1.759 396 3HD2 LEU 52 3HD2 LEU 52 0.720 3.099 2.103 397 H SER 53 H SER 53 -1.045 1.511 0.182 398 HA SER 53 HA SER 53 -1.197 2.316 -2.647 399 1HB SER 53 2HB SER 53 -3.133 1.062 -0.771 400 2HB SER 53 1HB SER 53 -3.777 2.167 -1.980 401 HG SER 53 HG SER 53 -2.482 0.841 -3.511 402 H ASP 54 H ASP 54 -1.863 4.321 -3.228 403 HA ASP 54 HA ASP 54 -1.917 6.364 -1.176 404 1HB ASP 54 2HB ASP 54 -2.110 7.924 -3.125 405 2HB ASP 54 1HB ASP 54 -0.699 6.872 -3.187 406 H ILE 55 H ILE 55 -3.617 8.227 -1.758 407 HA ILE 55 HA ILE 55 -6.229 7.196 -2.440 408 HB ILE 55 HB ILE 55 -6.180 6.544 -0.154 409 1HG1 ILE 55 2HG1 ILE 55 -7.681 8.991 0.401 410 2HG1 ILE 55 1HG1 ILE 55 -8.068 8.283 -1.161 411 1HG2 ILE 55 1HG2 ILE 55 -5.170 9.310 0.417 412 2HG2 ILE 55 2HG2 ILE 55 -4.364 7.770 0.711 413 3HG2 ILE 55 3HG2 ILE 55 -5.781 8.221 1.660 414 1HD1 ILE 55 1HD1 ILE 55 -9.332 6.750 -0.188 415 2HD1 ILE 55 2HD1 ILE 55 -9.015 7.517 1.369 416 3HD1 ILE 55 3HD1 ILE 55 -7.971 6.215 0.799 417 H ARG 56 H ARG 56 -6.431 8.734 -4.036 418 HA ARG 56 HA ARG 56 -6.766 11.488 -3.099 419 1HB ARG 56 2HB ARG 56 -4.488 11.207 -4.110 420 2HB ARG 56 1HB ARG 56 -5.270 10.810 -5.633 421 1HG ARG 56 2HG ARG 56 -5.519 12.954 -6.131 422 2HG ARG 56 1HG ARG 56 -6.333 13.266 -4.598 423 1HD ARG 56 2HD ARG 56 -4.426 14.667 -4.634 424 2HD ARG 56 1HD ARG 56 -4.045 13.342 -3.536 425 HE ARG 56 HE ARG 56 -3.063 12.498 -5.918 426 1HH1 ARG 56 1HH1 ARG 56 -2.635 15.399 -4.028 427 2HH1 ARG 56 2HH1 ARG 56 -1.027 15.687 -4.602 428 1HH2 ARG 56 1HH2 ARG 56 -0.943 12.866 -6.666 429 2HH2 ARG 56 2HH2 ARG 56 -0.065 14.248 -6.101 430 H MET 57 H MET 57 -8.797 9.631 -3.619 431 HA MET 57 HA MET 57 -10.829 9.540 -4.618 432 1HB MET 57 2HB MET 57 -10.438 12.114 -4.528 433 2HB MET 57 1HB MET 57 -10.221 11.961 -6.268 434 1HG MET 57 2HG MET 57 -12.423 12.191 -6.423 435 2HG MET 57 1HG MET 57 -12.528 10.543 -5.807 436 1HE MET 57 1HE MET 57 -14.901 13.665 -4.113 437 2HE MET 57 2HE MET 57 -14.858 12.710 -5.597 438 3HE MET 57 3HE MET 57 -13.740 14.056 -5.381 439 HA PRO 58 HA PRO 58 -8.694 8.103 -8.618 440 1HB PRO 58 2HB PRO 58 -8.453 5.461 -7.983 441 2HB PRO 58 1HB PRO 58 -7.173 6.648 -7.721 442 1HG PRO 58 2HG PRO 58 -9.109 5.487 -5.769 443 2HG PRO 58 1HG PRO 58 -7.399 5.897 -5.550 444 1HD PRO 58 2HD PRO 58 -9.460 7.444 -4.661 445 2HD PRO 58 1HD PRO 58 -7.866 8.087 -5.085 446 H GLY 59 H GLY 59 -10.422 5.465 -6.990 447 1HA GLY 59 2HA GLY 59 -12.521 5.676 -9.052 448 2HA GLY 59 1HA GLY 59 -12.008 4.166 -8.310 449 H MET 60 H MET 60 -11.853 5.546 -5.658 450 HA MET 60 HA MET 60 -14.526 6.360 -5.025 451 1HB MET 60 2HB MET 60 -14.220 3.658 -5.091 452 2HB MET 60 1HB MET 60 -13.789 3.992 -3.420 453 1HG MET 60 2HG MET 60 -16.023 3.665 -3.194 454 2HG MET 60 1HG MET 60 -16.004 5.405 -3.480 455 1HE MET 60 1HE MET 60 -18.175 5.519 -3.835 456 2HE MET 60 2HE MET 60 -19.181 4.415 -4.771 457 3HE MET 60 3HE MET 60 -18.563 5.889 -5.514 458 H ASP 61 H ASP 61 -12.842 8.037 -4.586 459 HA ASP 61 HA ASP 61 -11.888 9.422 -3.067 460 1HB ASP 61 2HB ASP 61 -13.578 7.786 -1.515 461 2HB ASP 61 1HB ASP 61 -12.053 7.907 -0.641 462 H GLY 62 H GLY 62 -11.017 6.054 -3.041 463 1HA GLY 62 2HA GLY 62 -8.476 5.988 -3.572 464 2HA GLY 62 1HA GLY 62 -8.371 6.643 -1.949 465 H LEU 63 H LEU 63 -10.733 5.156 -1.088 466 HA LEU 63 HA LEU 63 -9.410 2.806 -0.217 467 1HB LEU 63 2HB LEU 63 -12.370 3.241 -0.025 468 2HB LEU 63 1HB LEU 63 -11.327 2.352 1.067 469 HG LEU 63 HG LEU 63 -10.262 4.790 1.372 470 1HD1 LEU 63 1HD1 LEU 63 -12.609 6.130 1.614 471 2HD1 LEU 63 2HD1 LEU 63 -12.875 5.225 0.125 472 3HD1 LEU 63 3HD1 LEU 63 -11.485 6.301 0.268 473 1HD2 LEU 63 1HD2 LEU 63 -11.270 4.843 3.452 474 2HD2 LEU 63 2HD2 LEU 63 -11.357 3.136 3.019 475 3HD2 LEU 63 3HD2 LEU 63 -12.779 4.159 2.852 476 H ALA 64 H ALA 64 -11.266 3.636 -2.969 477 HA ALA 64 HA ALA 64 -12.505 1.254 -3.677 478 1HB ALA 64 1HB ALA 64 -12.934 2.333 -5.589 479 2HB ALA 64 2HB ALA 64 -11.222 2.548 -5.946 480 3HB ALA 64 3HB ALA 64 -12.051 3.692 -4.894 481 H LEU 65 H LEU 65 -9.133 2.171 -3.817 482 HA LEU 65 HA LEU 65 -8.130 0.193 -5.512 483 1HB LEU 65 2HB LEU 65 -7.049 2.251 -4.133 484 2HB LEU 65 1HB LEU 65 -6.503 0.908 -3.148 485 HG LEU 65 HG LEU 65 -6.005 1.117 -6.115 486 1HD1 LEU 65 1HD1 LEU 65 -4.690 2.837 -5.393 487 2HD1 LEU 65 2HD1 LEU 65 -3.591 1.487 -5.110 488 3HD1 LEU 65 3HD1 LEU 65 -4.514 2.169 -3.771 489 1HD2 LEU 65 1HD2 LEU 65 -4.092 -0.498 -5.076 490 2HD2 LEU 65 2HD2 LEU 65 -5.599 -1.071 -5.790 491 3HD2 LEU 65 3HD2 LEU 65 -5.465 -0.893 -4.041 492 H LEU 66 H LEU 66 -8.632 0.183 -2.009 493 HA LEU 66 HA LEU 66 -7.602 -2.342 -1.436 494 1HB LEU 66 2HB LEU 66 -9.872 -0.877 -0.089 495 2HB LEU 66 1HB LEU 66 -9.007 -2.244 0.589 496 HG LEU 66 HG LEU 66 -7.406 0.134 -0.206 497 1HD1 LEU 66 1HD1 LEU 66 -7.836 1.121 2.053 498 2HD1 LEU 66 2HD1 LEU 66 -9.216 0.035 2.195 499 3HD1 LEU 66 3HD1 LEU 66 -9.180 1.249 0.921 500 1HD2 LEU 66 1HD2 LEU 66 -6.935 -1.044 2.390 501 2HD2 LEU 66 2HD2 LEU 66 -5.850 -0.889 1.007 502 3HD2 LEU 66 3HD2 LEU 66 -6.944 -2.266 1.118 503 H LYS 67 H LYS 67 -10.890 -1.379 -2.348 504 HA LYS 67 HA LYS 67 -12.196 -3.798 -2.056 505 1HB LYS 67 2HB LYS 67 -13.192 -1.553 -2.700 506 2HB LYS 67 1HB LYS 67 -12.701 -1.908 -4.351 507 1HG LYS 67 2HG LYS 67 -14.035 -4.162 -3.804 508 2HG LYS 67 1HG LYS 67 -14.890 -3.050 -2.733 509 1HD LYS 67 2HD LYS 67 -14.440 -2.617 -5.686 510 2HD LYS 67 1HD LYS 67 -15.932 -3.222 -4.965 511 1HE LYS 67 2HE LYS 67 -16.105 -1.132 -3.661 512 2HE LYS 67 1HE LYS 67 -14.664 -0.529 -4.481 513 1HZ LYS 67 1HZ LYS 67 -16.141 -1.190 -6.569 514 2HZ LYS 67 2HZ LYS 67 -16.212 0.340 -5.850 515 3HZ LYS 67 3HZ LYS 67 -17.382 -0.825 -5.478 516 H GLN 68 H GLN 68 -10.591 -2.589 -5.010 517 HA GLN 68 HA GLN 68 -11.020 -4.855 -6.597 518 1HB GLN 68 2HB GLN 68 -8.667 -2.971 -6.705 519 2HB GLN 68 1HB GLN 68 -9.215 -4.021 -8.003 520 1HG GLN 68 2HG GLN 68 -10.760 -1.721 -6.832 521 2HG GLN 68 1HG GLN 68 -9.880 -1.707 -8.363 522 1HE2 GLN 68 1HE2 GLN 68 -12.841 -2.111 -6.963 523 2HE2 GLN 68 2HE2 GLN 68 -13.643 -2.958 -8.238 524 H ILE 69 H ILE 69 -8.520 -4.128 -4.257 525 HA ILE 69 HA ILE 69 -6.706 -6.137 -4.934 526 HB ILE 69 HB ILE 69 -7.236 -4.748 -2.318 527 1HG1 ILE 69 2HG1 ILE 69 -4.909 -4.446 -4.216 528 2HG1 ILE 69 1HG1 ILE 69 -6.378 -3.488 -4.360 529 1HG2 ILE 69 1HG2 ILE 69 -5.656 -7.100 -2.756 530 2HG2 ILE 69 2HG2 ILE 69 -5.931 -6.204 -1.264 531 3HG2 ILE 69 3HG2 ILE 69 -4.605 -5.748 -2.330 532 1HD1 ILE 69 1HD1 ILE 69 -4.791 -3.577 -1.831 533 2HD1 ILE 69 2HD1 ILE 69 -5.984 -2.387 -2.337 534 3HD1 ILE 69 3HD1 ILE 69 -4.412 -2.456 -3.132 535 H LYS 70 H LYS 70 -9.602 -6.253 -2.989 536 HA LYS 70 HA LYS 70 -9.067 -8.861 -1.952 537 1HB LYS 70 2HB LYS 70 -11.221 -8.751 -0.922 538 2HB LYS 70 1HB LYS 70 -10.472 -7.169 -0.774 539 1HG LYS 70 2HG LYS 70 -12.077 -6.166 -1.938 540 2HG LYS 70 1HG LYS 70 -12.125 -7.438 -3.157 541 1HD LYS 70 2HD LYS 70 -13.201 -8.659 -0.931 542 2HD LYS 70 1HD LYS 70 -13.822 -7.010 -0.826 543 1HE LYS 70 2HE LYS 70 -15.405 -8.225 -2.092 544 2HE LYS 70 1HE LYS 70 -14.500 -7.246 -3.248 545 1HZ LYS 70 1HZ LYS 70 -14.550 -9.302 -4.253 546 2HZ LYS 70 2HZ LYS 70 -14.393 -10.154 -2.800 547 3HZ LYS 70 3HZ LYS 70 -13.055 -9.356 -3.461 548 H GLN 71 H GLN 71 -10.695 -7.563 -4.708 549 HA GLN 71 HA GLN 71 -12.263 -9.789 -5.388 550 1HB GLN 71 2HB GLN 71 -11.348 -7.331 -6.746 551 2HB GLN 71 1HB GLN 71 -11.868 -8.648 -7.788 552 1HG GLN 71 2HG GLN 71 -14.037 -8.469 -7.168 553 2HG GLN 71 1HG GLN 71 -13.643 -7.944 -5.531 554 1HE2 GLN 71 1HE2 GLN 71 -12.656 -5.725 -5.402 555 2HE2 GLN 71 2HE2 GLN 71 -13.335 -4.506 -6.421 556 H ARG 72 H ARG 72 -9.085 -8.796 -6.516 557 HA ARG 72 HA ARG 72 -8.783 -11.291 -7.977 558 1HB ARG 72 2HB ARG 72 -7.200 -8.747 -7.877 559 2HB ARG 72 1HB ARG 72 -6.546 -10.197 -8.627 560 1HG ARG 72 2HG ARG 72 -8.626 -10.235 -10.064 561 2HG ARG 72 1HG ARG 72 -8.966 -8.618 -9.446 562 1HD ARG 72 2HD ARG 72 -7.679 -7.830 -11.081 563 2HD ARG 72 1HD ARG 72 -6.300 -8.520 -10.227 564 HE ARG 72 HE ARG 72 -6.164 -10.144 -11.837 565 1HH1 ARG 72 1HH1 ARG 72 -9.272 -8.577 -12.069 566 2HH1 ARG 72 2HH1 ARG 72 -9.714 -9.388 -13.533 567 1HH2 ARG 72 1HH2 ARG 72 -6.750 -11.219 -13.771 568 2HH2 ARG 72 2HH2 ARG 72 -8.285 -10.883 -14.498 569 H HIS 73 H HIS 73 -6.888 -9.465 -5.626 570 HA HIS 73 HA HIS 73 -5.265 -11.780 -5.027 571 1HB HIS 73 2HB HIS 73 -5.097 -9.328 -3.351 572 2HB HIS 73 1HB HIS 73 -3.809 -10.335 -4.013 573 HD1 HIS 73 1HD HIS 73 -4.144 -10.178 -6.935 574 HD2 HIS 73 2HD HIS 73 -4.861 -6.900 -4.499 575 HE1 HIS 73 1HE HIS 73 -3.952 -8.172 -8.438 576 HE2 HIS 73 2HE HIS 73 -4.325 -6.193 -6.921 577 HA PRO 74 HA PRO 74 -7.496 -13.303 -1.568 578 1HB PRO 74 2HB PRO 74 -5.463 -14.243 -0.004 579 2HB PRO 74 1HB PRO 74 -6.058 -15.066 -1.449 580 1HG PRO 74 2HG PRO 74 -3.624 -13.392 -1.086 581 2HG PRO 74 1HG PRO 74 -3.864 -14.828 -2.091 582 1HD PRO 74 2HD PRO 74 -3.838 -12.264 -3.056 583 2HD PRO 74 1HD PRO 74 -4.680 -13.612 -3.843 584 H MET 75 H MET 75 -4.533 -12.246 0.089 585 HA MET 75 HA MET 75 -6.073 -10.196 1.477 586 1HB MET 75 2HB MET 75 -4.501 -12.377 2.839 587 2HB MET 75 1HB MET 75 -5.088 -10.934 3.653 588 1HG MET 75 2HG MET 75 -7.240 -11.635 3.656 589 2HG MET 75 1HG MET 75 -7.069 -12.532 2.149 590 1HE MET 75 1HE MET 75 -4.252 -14.410 3.281 591 2HE MET 75 2HE MET 75 -5.437 -14.506 1.977 592 3HE MET 75 3HE MET 75 -5.353 -15.785 3.190 593 H LEU 76 H LEU 76 -4.445 -9.453 -0.398 594 HA LEU 76 HA LEU 76 -1.731 -9.121 0.245 595 1HB LEU 76 2HB LEU 76 -3.083 -8.741 -1.970 596 2HB LEU 76 1HB LEU 76 -3.225 -7.098 -1.368 597 HG LEU 76 HG LEU 76 -1.391 -7.084 -2.827 598 1HD1 LEU 76 1HD1 LEU 76 0.382 -6.378 -1.483 599 2HD1 LEU 76 2HD1 LEU 76 -0.035 -7.493 -0.185 600 3HD1 LEU 76 3HD1 LEU 76 -1.056 -6.090 -0.504 601 1HD2 LEU 76 1HD2 LEU 76 0.181 -9.197 -1.549 602 2HD2 LEU 76 2HD2 LEU 76 -0.066 -8.832 -3.258 603 3HD2 LEU 76 3HD2 LEU 76 -1.282 -9.749 -2.367 604 HA PRO 77 HA PRO 77 -2.398 -6.174 3.638 605 1HB PRO 77 2HB PRO 77 0.304 -5.629 3.922 606 2HB PRO 77 1HB PRO 77 -0.551 -6.940 4.739 607 1HG PRO 77 2HG PRO 77 1.111 -7.020 2.257 608 2HG PRO 77 1HG PRO 77 1.035 -8.185 3.592 609 1HD PRO 77 2HD PRO 77 -0.197 -8.661 1.272 610 2HD PRO 77 1HD PRO 77 -0.941 -9.128 2.816 611 H VAL 78 H VAL 78 -3.030 -4.151 3.197 612 HA VAL 78 HA VAL 78 -1.475 -2.582 1.245 613 HB VAL 78 HB VAL 78 -4.391 -2.116 1.809 614 1HG1 VAL 78 1HG1 VAL 78 -3.810 -0.298 0.618 615 2HG1 VAL 78 2HG1 VAL 78 -3.931 -1.394 -0.759 616 3HG1 VAL 78 3HG1 VAL 78 -2.358 -1.059 -0.034 617 1HG2 VAL 78 1HG2 VAL 78 -5.059 -3.593 0.153 618 2HG2 VAL 78 2HG2 VAL 78 -3.778 -4.486 0.964 619 3HG2 VAL 78 3HG2 VAL 78 -3.449 -3.676 -0.563 620 H ILE 79 H ILE 79 -1.283 -0.347 1.576 621 HA ILE 79 HA ILE 79 -1.957 0.611 4.271 622 HB ILE 79 HB ILE 79 0.660 1.251 2.908 623 1HG1 ILE 79 2HG1 ILE 79 0.710 -0.500 5.285 624 2HG1 ILE 79 1HG1 ILE 79 0.045 -1.245 3.838 625 1HG2 ILE 79 1HG2 ILE 79 -0.582 2.594 4.880 626 2HG2 ILE 79 2HG2 ILE 79 1.172 2.502 4.713 627 3HG2 ILE 79 3HG2 ILE 79 0.334 1.426 5.831 628 1HD1 ILE 79 1HD1 ILE 79 2.045 -1.005 2.658 629 2HD1 ILE 79 2HD1 ILE 79 2.527 -1.529 4.271 630 3HD1 ILE 79 3HD1 ILE 79 2.685 0.165 3.811 631 H ILE 80 H ILE 80 -3.316 2.263 4.017 632 HA ILE 80 HA ILE 80 -3.146 3.901 1.605 633 HB ILE 80 HB ILE 80 -5.313 4.039 3.697 634 1HG1 ILE 80 2HG1 ILE 80 -6.576 2.628 1.930 635 2HG1 ILE 80 1HG1 ILE 80 -4.977 2.195 1.340 636 1HG2 ILE 80 1HG2 ILE 80 -5.485 5.923 2.352 637 2HG2 ILE 80 2HG2 ILE 80 -6.592 4.785 1.589 638 3HG2 ILE 80 3HG2 ILE 80 -4.993 5.055 0.899 639 1HD1 ILE 80 1HD1 ILE 80 -5.549 1.866 4.231 640 2HD1 ILE 80 2HD1 ILE 80 -4.494 0.932 3.171 641 3HD1 ILE 80 3HD1 ILE 80 -6.242 0.711 3.095 642 H MET 81 H MET 81 -2.500 5.965 1.583 643 HA MET 81 HA MET 81 -1.109 7.011 3.824 644 1HB MET 81 2HB MET 81 -0.501 8.827 2.427 645 2HB MET 81 1HB MET 81 -0.522 7.390 1.420 646 1HG MET 81 2HG MET 81 -2.280 8.117 0.181 647 2HG MET 81 1HG MET 81 -2.986 9.033 1.509 648 1HE MET 81 1HE MET 81 0.404 9.178 -0.821 649 2HE MET 81 2HE MET 81 -0.282 10.487 -1.784 650 3HE MET 81 3HE MET 81 -1.152 8.962 -1.621 651 H THR 82 H THR 82 -4.391 7.482 2.748 652 HA THR 82 HA THR 82 -4.815 9.230 5.042 653 HB THR 82 HB THR 82 -5.803 10.054 2.312 654 HG1 THR 82 1HG THR 82 -3.669 11.200 3.774 655 1HG2 THR 82 1HG2 THR 82 -5.688 11.551 4.916 656 2HG2 THR 82 2HG2 THR 82 -7.141 10.943 4.125 657 3HG2 THR 82 3HG2 THR 82 -6.191 12.217 3.362 658 H ALA 83 H ALA 83 -7.092 9.556 5.569 659 HA ALA 83 HA ALA 83 -8.932 7.613 4.382 660 1HB ALA 83 1HB ALA 83 -7.582 7.009 6.690 661 2HB ALA 83 2HB ALA 83 -9.113 6.295 6.183 662 3HB ALA 83 3HB ALA 83 -9.103 7.661 7.298 663 H HIS 84 H HIS 84 -9.338 10.119 3.748 664 HA HIS 84 HA HIS 84 -10.825 11.569 5.718 665 1HB HIS 84 2HB HIS 84 -11.483 12.988 3.636 666 2HB HIS 84 1HB HIS 84 -9.835 13.036 4.240 667 HD1 HIS 84 1HD HIS 84 -9.324 13.903 1.761 668 HD2 HIS 84 2HD HIS 84 -10.487 9.929 2.094 669 HE1 HIS 84 1HE HIS 84 -8.683 12.829 -0.419 670 HE2 HIS 84 2HE HIS 84 -9.505 10.456 -0.238 671 H SER 85 H SER 85 -12.303 11.258 2.541 672 HA SER 85 HA SER 85 -14.767 10.444 3.840 673 1HB SER 85 2HB SER 85 -14.590 12.303 2.095 674 2HB SER 85 1HB SER 85 -14.405 11.015 0.904 675 HG SER 85 HG SER 85 -16.598 11.720 1.205 676 H ASP 86 H ASP 86 -16.194 8.922 2.482 677 HA ASP 86 HA ASP 86 -16.635 6.793 1.829 678 1HB ASP 86 2HB ASP 86 -14.062 7.304 0.348 679 2HB ASP 86 1HB ASP 86 -14.961 5.803 0.168 680 H LEU 87 H LEU 87 -14.777 7.365 4.222 681 HA LEU 87 HA LEU 87 -12.878 5.433 4.602 682 1HB LEU 87 2HB LEU 87 -14.446 7.176 6.263 683 2HB LEU 87 1HB LEU 87 -14.258 5.622 7.051 684 HG LEU 87 HG LEU 87 -12.006 7.385 6.079 685 1HD1 LEU 87 1HD1 LEU 87 -13.468 7.876 8.243 686 2HD1 LEU 87 2HD1 LEU 87 -11.720 8.121 8.212 687 3HD1 LEU 87 3HD1 LEU 87 -12.393 6.654 8.925 688 1HD2 LEU 87 1HD2 LEU 87 -12.131 4.596 7.054 689 2HD2 LEU 87 2HD2 LEU 87 -10.824 5.605 7.672 690 3HD2 LEU 87 3HD2 LEU 87 -11.002 5.356 5.934 691 H ASP 88 H ASP 88 -16.298 4.977 4.430 692 HA ASP 88 HA ASP 88 -16.764 2.698 5.876 693 1HB ASP 88 2HB ASP 88 -17.819 3.388 3.127 694 2HB ASP 88 1HB ASP 88 -18.489 2.133 4.166 695 H ALA 89 H ALA 89 -15.395 2.893 2.605 696 HA ALA 89 HA ALA 89 -15.158 0.110 2.223 697 1HB ALA 89 1HB ALA 89 -13.790 2.446 0.926 698 2HB ALA 89 2HB ALA 89 -15.115 1.470 0.294 699 3HB ALA 89 3HB ALA 89 -13.498 0.777 0.438 700 H ALA 90 H ALA 90 -13.310 2.339 4.065 701 HA ALA 90 HA ALA 90 -10.791 1.082 4.020 702 1HB ALA 90 1HB ALA 90 -11.849 2.500 6.442 703 2HB ALA 90 2HB ALA 90 -11.431 3.385 4.979 704 3HB ALA 90 3HB ALA 90 -10.201 2.445 5.819 705 H VAL 91 H VAL 91 -13.585 0.687 6.167 706 HA VAL 91 HA VAL 91 -12.428 -1.123 7.944 707 HB VAL 91 HB VAL 91 -15.335 -1.216 7.183 708 1HG1 VAL 91 1HG1 VAL 91 -15.016 -1.408 9.935 709 2HG1 VAL 91 2HG1 VAL 91 -13.671 -2.340 9.275 710 3HG1 VAL 91 3HG1 VAL 91 -15.328 -2.735 8.815 711 1HG2 VAL 91 1HG2 VAL 91 -13.826 1.007 8.295 712 2HG2 VAL 91 2HG2 VAL 91 -15.121 0.477 9.369 713 3HG2 VAL 91 3HG2 VAL 91 -15.489 0.951 7.711 714 H SER 92 H SER 92 -14.259 -1.739 4.953 715 HA SER 92 HA SER 92 -14.175 -4.550 5.142 716 1HB SER 92 2HB SER 92 -14.729 -4.585 2.768 717 2HB SER 92 1HB SER 92 -15.692 -3.358 3.591 718 HG SER 92 HG SER 92 -14.113 -3.032 1.510 719 H ALA 93 H ALA 93 -11.778 -2.227 4.372 720 HA ALA 93 HA ALA 93 -10.094 -3.785 2.745 721 1HB ALA 93 1HB ALA 93 -8.554 -2.087 2.924 722 2HB ALA 93 2HB ALA 93 -8.975 -1.745 4.602 723 3HB ALA 93 3HB ALA 93 -10.051 -1.235 3.301 724 H TYR 94 H TYR 94 -10.249 -3.284 6.220 725 HA TYR 94 HA TYR 94 -8.020 -4.864 6.919 726 1HB TYR 94 2HB TYR 94 -10.473 -4.639 8.653 727 2HB TYR 94 1HB TYR 94 -8.790 -4.771 9.149 728 HD1 TYR 94 1HD TYR 94 -11.393 -2.616 9.240 729 HD2 TYR 94 2HD TYR 94 -7.361 -2.715 7.890 730 HE1 TYR 94 1HE TYR 94 -11.267 -0.169 9.454 731 HE2 TYR 94 2HE TYR 94 -7.230 -0.269 8.096 732 HH TYR 94 HH TYR 94 -9.951 1.693 8.518 733 H GLN 95 H GLN 95 -11.224 -5.609 5.938 734 HA GLN 95 HA GLN 95 -11.283 -8.299 6.926 735 1HB GLN 95 2HB GLN 95 -13.420 -7.428 6.675 736 2HB GLN 95 1HB GLN 95 -13.032 -6.626 5.163 737 1HG GLN 95 2HG GLN 95 -13.105 -9.611 5.308 738 2HG GLN 95 1HG GLN 95 -14.599 -8.685 5.167 739 1HE2 GLN 95 1HE2 GLN 95 -14.009 -6.701 3.462 740 2HE2 GLN 95 2HE2 GLN 95 -13.527 -7.329 1.927 741 H GLN 96 H GLN 96 -10.518 -6.724 3.863 742 HA GLN 96 HA GLN 96 -10.147 -9.203 2.480 743 1HB GLN 96 2HB GLN 96 -9.436 -7.873 0.605 744 2HB GLN 96 1HB GLN 96 -10.867 -7.140 1.317 745 1HG GLN 96 2HG GLN 96 -9.784 -5.225 1.488 746 2HG GLN 96 1HG GLN 96 -8.624 -5.988 2.570 747 1HE2 GLN 96 1HE2 GLN 96 -8.069 -3.896 0.751 748 2HE2 GLN 96 2HE2 GLN 96 -6.922 -4.490 -0.394 749 H GLY 97 H GLY 97 -8.208 -7.255 4.534 750 1HA GLY 97 2HA GLY 97 -6.192 -8.546 5.294 751 2HA GLY 97 1HA GLY 97 -5.798 -8.683 3.590 752 H ALA 98 H ALA 98 -7.090 -5.648 4.023 753 HA ALA 98 HA ALA 98 -4.754 -4.273 3.460 754 1HB ALA 98 1HB ALA 98 -7.225 -3.271 4.860 755 2HB ALA 98 2HB ALA 98 -6.908 -3.252 3.126 756 3HB ALA 98 3HB ALA 98 -5.952 -2.241 4.209 757 H PHE 99 H PHE 99 -3.354 -2.941 4.760 758 HA PHE 99 HA PHE 99 -2.781 -4.128 7.305 759 1HB PHE 99 2HB PHE 99 -1.021 -3.358 5.658 760 2HB PHE 99 1HB PHE 99 -1.430 -1.707 6.118 761 HD1 PHE 99 1HD PHE 99 -1.019 -4.830 8.109 762 HD2 PHE 99 2HD PHE 99 0.292 -0.845 7.389 763 HE1 PHE 99 1HE PHE 99 0.503 -4.986 10.035 764 HE2 PHE 99 2HE PHE 99 1.819 -1.001 9.314 765 HZ PHE 99 HZ PHE 99 1.924 -3.070 10.640 766 H ASP 100 H ASP 100 -3.572 -0.808 6.247 767 HA ASP 100 HA ASP 100 -5.404 -0.259 8.234 768 1HB ASP 100 2HB ASP 100 -2.867 -0.443 9.385 769 2HB ASP 100 1HB ASP 100 -3.159 1.287 9.242 770 H TYR 101 H TYR 101 -4.968 2.363 8.876 771 HA TYR 101 HA TYR 101 -4.619 3.713 6.289 772 1HB TYR 101 2HB TYR 101 -7.045 3.504 7.940 773 2HB TYR 101 1HB TYR 101 -6.647 5.144 7.446 774 HD1 TYR 101 1HD TYR 101 -7.418 1.742 6.193 775 HD2 TYR 101 2HD TYR 101 -6.992 5.868 5.221 776 HE1 TYR 101 1HE TYR 101 -8.474 1.343 3.995 777 HE2 TYR 101 2HE TYR 101 -8.033 5.476 3.035 778 HH TYR 101 HH TYR 101 -8.376 3.574 1.467 779 H LEU 102 H LEU 102 -4.114 5.954 6.425 780 HA LEU 102 HA LEU 102 -2.827 6.665 8.963 781 1HB LEU 102 2HB LEU 102 -2.124 6.969 6.175 782 2HB LEU 102 1HB LEU 102 -2.052 8.506 7.014 783 HG LEU 102 HG LEU 102 -0.470 7.623 8.612 784 1HD1 LEU 102 1HD1 LEU 102 -1.573 5.187 8.093 785 2HD1 LEU 102 2HD1 LEU 102 -0.074 5.461 8.979 786 3HD1 LEU 102 3HD1 LEU 102 -0.024 5.078 7.259 787 1HD2 LEU 102 1HD2 LEU 102 0.094 7.257 5.707 788 2HD2 LEU 102 2HD2 LEU 102 1.323 6.833 6.900 789 3HD2 LEU 102 3HD2 LEU 102 0.694 8.477 6.825 790 HA PRO 103 HA PRO 103 -6.165 9.650 9.398 791 1HB PRO 103 2HB PRO 103 -4.786 10.532 11.813 792 2HB PRO 103 1HB PRO 103 -6.354 9.742 11.654 793 1HG PRO 103 2HG PRO 103 -4.180 8.524 12.732 794 2HG PRO 103 1HG PRO 103 -5.468 7.645 11.889 795 1HD PRO 103 2HD PRO 103 -2.755 8.438 10.912 796 2HD PRO 103 1HD PRO 103 -3.670 6.943 10.622 797 H LYS 104 H LYS 104 -3.138 10.892 10.802 798 HA LYS 104 HA LYS 104 -3.355 13.182 8.969 799 1HB LYS 104 2HB LYS 104 -3.247 13.144 11.824 800 2HB LYS 104 1HB LYS 104 -1.802 13.941 11.214 801 1HG LYS 104 2HG LYS 104 -3.025 15.608 10.137 802 2HG LYS 104 1HG LYS 104 -4.523 14.677 10.199 803 1HD LYS 104 2HD LYS 104 -3.111 15.702 12.655 804 2HD LYS 104 1HD LYS 104 -4.366 16.610 11.811 805 1HE LYS 104 2HE LYS 104 -6.028 15.253 12.537 806 2HE LYS 104 1HE LYS 104 -5.013 13.812 12.505 807 1HZ LYS 104 1HZ LYS 104 -5.494 15.689 14.661 808 2HZ LYS 104 2HZ LYS 104 -3.886 15.192 14.491 809 3HZ LYS 104 3HZ LYS 104 -5.106 14.043 14.723 810 HA PRO 105 HA PRO 105 1.451 12.541 9.655 811 1HB PRO 105 2HB PRO 105 2.039 9.955 10.487 812 2HB PRO 105 1HB PRO 105 2.081 11.392 11.513 813 1HG PRO 105 2HG PRO 105 -0.077 9.349 11.200 814 2HG PRO 105 1HG PRO 105 0.502 10.152 12.671 815 1HD PRO 105 2HD PRO 105 -1.769 10.907 11.510 816 2HD PRO 105 1HD PRO 105 -0.670 12.114 12.205 817 H PHE 106 H PHE 106 2.870 11.548 8.152 818 HA PHE 106 HA PHE 106 2.128 9.278 6.617 819 1HB PHE 106 2HB PHE 106 0.535 10.874 5.649 820 2HB PHE 106 1HB PHE 106 1.851 11.978 5.272 821 HD1 PHE 106 1HD PHE 106 2.034 12.106 2.984 822 HD2 PHE 106 2HD PHE 106 1.499 8.293 4.792 823 HE1 PHE 106 1HE PHE 106 2.312 11.028 0.791 824 HE2 PHE 106 2HE PHE 106 1.777 7.209 2.607 825 HZ PHE 106 HZ PHE 106 2.185 8.578 0.599 826 H ASP 107 H ASP 107 3.650 11.611 4.621 827 HA ASP 107 HA ASP 107 5.756 11.585 3.726 828 1HB ASP 107 2HB ASP 107 7.495 12.245 5.332 829 2HB ASP 107 1HB ASP 107 5.999 13.134 5.607 830 H ILE 108 H ILE 108 8.125 10.597 4.118 831 HA ILE 108 HA ILE 108 7.801 7.807 3.801 832 HB ILE 108 HB ILE 108 9.903 9.694 3.404 833 1HG1 ILE 108 2HG1 ILE 108 10.617 8.071 1.747 834 2HG1 ILE 108 1HG1 ILE 108 9.616 6.832 2.498 835 1HG2 ILE 108 1HG2 ILE 108 11.807 8.140 3.864 836 2HG2 ILE 108 2HG2 ILE 108 10.691 7.161 4.811 837 3HG2 ILE 108 3HG2 ILE 108 11.043 8.815 5.304 838 1HD1 ILE 108 1HD1 ILE 108 8.723 7.949 0.397 839 2HD1 ILE 108 2HD1 ILE 108 8.444 9.364 1.412 840 3HD1 ILE 108 3HD1 ILE 108 7.635 7.840 1.784 841 H ASP 109 H ASP 109 9.075 9.749 6.414 842 HA ASP 109 HA ASP 109 10.109 7.816 8.063 843 1HB ASP 109 2HB ASP 109 8.564 10.296 8.837 844 2HB ASP 109 1HB ASP 109 9.479 9.313 9.974 845 H GLU 110 H GLU 110 6.719 8.997 8.255 846 HA GLU 110 HA GLU 110 5.996 6.857 9.989 847 1HB GLU 110 2HB GLU 110 4.173 8.744 8.510 848 2HB GLU 110 1HB GLU 110 3.745 7.747 9.890 849 1HG GLU 110 2HG GLU 110 5.840 9.897 9.990 850 2HG GLU 110 1HG GLU 110 4.141 10.172 10.372 851 H ALA 111 H ALA 111 5.795 7.447 6.560 852 HA ALA 111 HA ALA 111 3.951 5.401 5.933 853 1HB ALA 111 1HB ALA 111 4.795 5.584 3.637 854 2HB ALA 111 2HB ALA 111 6.133 6.579 4.210 855 3HB ALA 111 3HB ALA 111 4.476 7.169 4.340 856 H VAL 112 H VAL 112 7.492 5.462 5.525 857 HA VAL 112 HA VAL 112 7.791 2.725 5.008 858 HB VAL 112 HB VAL 112 9.805 4.544 6.323 859 1HG1 VAL 112 1HG1 VAL 112 11.283 2.880 6.191 860 2HG1 VAL 112 2HG1 VAL 112 10.801 2.475 4.544 861 3HG1 VAL 112 3HG1 VAL 112 9.906 1.814 5.913 862 1HG2 VAL 112 1HG2 VAL 112 10.578 4.416 3.742 863 2HG2 VAL 112 2HG2 VAL 112 9.558 5.696 4.393 864 3HG2 VAL 112 3HG2 VAL 112 8.827 4.336 3.547 865 H ALA 113 H ALA 113 7.520 4.509 7.965 866 HA ALA 113 HA ALA 113 8.455 2.564 9.777 867 1HB ALA 113 1HB ALA 113 6.400 4.739 10.115 868 2HB ALA 113 2HB ALA 113 8.126 4.855 10.470 869 3HB ALA 113 3HB ALA 113 7.094 3.804 11.439 870 H LEU 114 H LEU 114 5.270 3.322 8.502 871 HA LEU 114 HA LEU 114 3.927 1.243 9.904 872 1HB LEU 114 2HB LEU 114 2.804 3.313 9.291 873 2HB LEU 114 1HB LEU 114 3.064 2.968 7.594 874 HG LEU 114 HG LEU 114 1.588 0.966 7.829 875 1HD1 LEU 114 1HD1 LEU 114 0.433 2.031 10.327 876 2HD1 LEU 114 2HD1 LEU 114 1.966 1.171 10.485 877 3HD1 LEU 114 3HD1 LEU 114 0.572 0.371 9.758 878 1HD2 LEU 114 1HD2 LEU 114 -0.473 2.253 7.846 879 2HD2 LEU 114 2HD2 LEU 114 0.789 3.115 6.965 880 3HD2 LEU 114 3HD2 LEU 114 0.369 3.600 8.605 881 H VAL 115 H VAL 115 5.601 1.438 6.884 882 HA VAL 115 HA VAL 115 4.273 -0.844 5.743 883 HB VAL 115 HB VAL 115 5.359 1.036 4.395 884 1HG1 VAL 115 1HG1 VAL 115 7.556 0.780 5.662 885 2HG1 VAL 115 2HG1 VAL 115 7.646 0.981 3.917 886 3HG1 VAL 115 3HG1 VAL 115 7.852 -0.617 4.632 887 1HG2 VAL 115 1HG2 VAL 115 5.245 -1.839 3.882 888 2HG2 VAL 115 2HG2 VAL 115 6.371 -0.976 2.832 889 3HG2 VAL 115 3HG2 VAL 115 4.678 -0.487 2.902 890 H GLU 116 H GLU 116 7.357 -0.248 7.350 891 HA GLU 116 HA GLU 116 8.429 -2.830 6.967 892 1HB GLU 116 2HB GLU 116 8.984 -0.767 9.102 893 2HB GLU 116 1HB GLU 116 9.934 -2.228 8.866 894 1HG GLU 116 2HG GLU 116 10.652 -1.506 6.715 895 2HG GLU 116 1HG GLU 116 9.530 -0.148 6.737 896 H ARG 117 H ARG 117 6.557 -1.415 9.629 897 HA ARG 117 HA ARG 117 6.656 -3.650 11.323 898 1HB ARG 117 2HB ARG 117 4.777 -2.644 12.494 899 2HB ARG 117 1HB ARG 117 5.957 -1.411 12.067 900 1HG ARG 117 2HG ARG 117 4.583 -0.423 10.538 901 2HG ARG 117 1HG ARG 117 3.695 -1.910 10.207 902 1HD ARG 117 2HD ARG 117 2.207 -0.510 11.394 903 2HD ARG 117 1HD ARG 117 2.760 -1.726 12.544 904 HE ARG 117 HE ARG 117 4.396 0.581 12.670 905 1HH1 ARG 117 1HH1 ARG 117 1.242 -0.594 13.585 906 2HH1 ARG 117 2HH1 ARG 117 1.102 0.469 14.945 907 1HH2 ARG 117 1HH2 ARG 117 4.215 1.986 14.450 908 2HH2 ARG 117 2HH2 ARG 117 2.790 1.938 15.435 909 H ALA 118 H ALA 118 4.791 -2.988 8.501 910 HA ALA 118 HA ALA 118 2.711 -4.861 8.973 911 1HB ALA 118 1HB ALA 118 2.885 -2.858 7.277 912 2HB ALA 118 2HB ALA 118 1.893 -4.273 6.918 913 3HB ALA 118 3HB ALA 118 3.499 -4.117 6.205 914 H ILE 119 H ILE 119 5.754 -4.980 7.149 915 HA ILE 119 HA ILE 119 5.396 -7.624 6.200 916 HB ILE 119 HB ILE 119 8.026 -6.215 6.634 917 1HG1 ILE 119 2HG1 ILE 119 6.755 -6.162 3.963 918 2HG1 ILE 119 1HG1 ILE 119 6.014 -5.133 5.187 919 1HG2 ILE 119 1HG2 ILE 119 8.642 -7.587 4.597 920 2HG2 ILE 119 2HG2 ILE 119 7.149 -8.488 4.869 921 3HG2 ILE 119 3HG2 ILE 119 8.412 -8.480 6.101 922 1HD1 ILE 119 1HD1 ILE 119 8.038 -3.948 5.522 923 2HD1 ILE 119 2HD1 ILE 119 7.759 -4.029 3.785 924 3HD1 ILE 119 3HD1 ILE 119 8.946 -5.094 4.539 925 H SER 120 H SER 120 6.677 -6.234 9.098 926 HA SER 120 HA SER 120 8.026 -8.535 10.060 927 1HB SER 120 2HB SER 120 8.698 -6.423 10.935 928 2HB SER 120 1HB SER 120 7.049 -6.021 11.411 929 HG SER 120 HG SER 120 7.553 -6.871 13.254 930 H HIS 121 H HIS 121 4.827 -7.138 10.700 931 HA HIS 121 HA HIS 121 4.061 -9.068 12.621 932 1HB HIS 121 2HB HIS 121 2.605 -7.029 10.984 933 2HB HIS 121 1HB HIS 121 1.685 -8.238 11.874 934 HD1 HIS 121 1HD HIS 121 3.800 -5.206 12.342 935 HD2 HIS 121 2HD HIS 121 1.757 -7.972 14.674 936 HE1 HIS 121 1HE HIS 121 3.732 -4.215 14.653 937 HE2 HIS 121 2HE HIS 121 2.572 -5.949 16.066 938 H TYR 122 H TYR 122 4.124 -9.074 9.178 939 HA TYR 122 HA TYR 122 2.188 -11.085 8.714 940 1HB TYR 122 2HB TYR 122 3.566 -9.416 7.098 941 2HB TYR 122 1HB TYR 122 4.481 -10.899 6.852 942 HD1 TYR 122 1HD TYR 122 3.901 -11.738 4.768 943 HD2 TYR 122 2HD TYR 122 0.826 -10.317 7.344 944 HE1 TYR 122 1HE TYR 122 2.205 -12.510 3.160 945 HE2 TYR 122 2HE TYR 122 -0.876 -11.086 5.745 946 HH TYR 122 HH TYR 122 -0.805 -11.511 3.045 947 H GLN 123 H GLN 123 5.732 -11.191 8.945 948 HA GLN 123 HA GLN 123 5.850 -14.033 8.749 949 1HB GLN 123 2HB GLN 123 7.661 -12.241 8.180 950 2HB GLN 123 1HB GLN 123 8.060 -12.362 9.887 951 1HG GLN 123 2HG GLN 123 7.855 -14.988 8.783 952 2HG GLN 123 1HG GLN 123 8.917 -14.008 7.775 953 1HE2 GLN 123 1HE2 GLN 123 9.893 -16.161 9.153 954 2HE2 GLN 123 2HE2 GLN 123 10.932 -15.620 10.421 955 H GLU 124 H GLU 124 7.127 -15.253 10.531 956 HA GLU 124 HA GLU 124 7.177 -16.116 12.633 957 1HB GLU 124 2HB GLU 124 7.583 -13.372 12.954 958 2HB GLU 124 1HB GLU 124 6.344 -13.774 14.135 959 1HG GLU 124 2HG GLU 124 7.791 -14.833 15.451 960 2HG GLU 124 1HG GLU 124 8.529 -15.690 14.098 Start of MODEL 16 1 1H MET 1 1HT MET 1 6.664 -15.859 3.530 2 2H MET 1 2HT MET 1 7.609 -17.112 4.226 3 3H MET 1 3HT MET 1 7.691 -16.808 2.538 4 HA MET 1 HA MET 1 8.347 -14.696 4.439 5 1HB MET 1 2HB MET 1 9.541 -17.120 4.673 6 2HB MET 1 1HB MET 1 10.557 -16.391 3.437 7 1HG MET 1 2HG MET 1 11.699 -15.611 5.193 8 2HG MET 1 1HG MET 1 10.445 -14.372 5.215 9 1HE MET 1 1HE MET 1 9.931 -14.307 8.711 10 2HE MET 1 2HE MET 1 10.697 -13.631 7.275 11 3HE MET 1 3HE MET 1 11.628 -14.649 8.373 12 H GLN 2 H GLN 2 9.399 -16.438 1.503 13 HA GLN 2 HA GLN 2 10.024 -15.705 -0.554 14 1HB GLN 2 2HB GLN 2 8.105 -13.583 0.319 15 2HB GLN 2 1HB GLN 2 9.040 -13.332 -1.148 16 1HG GLN 2 2HG GLN 2 8.161 -15.464 -2.029 17 2HG GLN 2 1HG GLN 2 7.164 -15.618 -0.583 18 1HE2 GLN 2 1HE2 GLN 2 6.494 -15.330 -3.463 19 2HE2 GLN 2 2HE2 GLN 2 5.407 -13.991 -3.541 20 H ARG 3 H ARG 3 11.102 -13.685 -1.693 21 HA ARG 3 HA ARG 3 13.419 -13.094 -0.135 22 1HB ARG 3 2HB ARG 3 14.179 -11.878 -2.167 23 2HB ARG 3 1HB ARG 3 13.699 -13.539 -2.484 24 1HG ARG 3 2HG ARG 3 11.932 -12.934 -3.756 25 2HG ARG 3 1HG ARG 3 11.614 -11.475 -2.814 26 1HD ARG 3 2HD ARG 3 14.062 -11.675 -4.522 27 2HD ARG 3 1HD ARG 3 12.508 -11.266 -5.241 28 HE ARG 3 HE ARG 3 12.486 -9.258 -3.997 29 1HH1 ARG 3 1HH1 ARG 3 15.440 -11.076 -3.554 30 2HH1 ARG 3 2HH1 ARG 3 16.328 -9.714 -2.964 31 1HH2 ARG 3 1HH2 ARG 3 13.662 -7.474 -3.225 32 2HH2 ARG 3 2HH2 ARG 3 15.323 -7.674 -2.776 33 H GLY 4 H GLY 4 10.460 -11.727 -0.005 34 1HA GLY 4 2HA GLY 4 9.852 -9.813 1.175 35 2HA GLY 4 1HA GLY 4 11.526 -9.276 1.116 36 H ILE 5 H ILE 5 8.501 -9.444 -0.642 37 HA ILE 5 HA ILE 5 9.552 -7.479 -2.562 38 HB ILE 5 HB ILE 5 7.078 -9.167 -2.896 39 1HG1 ILE 5 2HG1 ILE 5 8.849 -10.171 -4.693 40 2HG1 ILE 5 1HG1 ILE 5 9.931 -9.780 -3.360 41 1HG2 ILE 5 1HG2 ILE 5 8.388 -7.057 -4.440 42 2HG2 ILE 5 2HG2 ILE 5 6.725 -7.640 -4.497 43 3HG2 ILE 5 3HG2 ILE 5 7.989 -8.497 -5.378 44 1HD1 ILE 5 1HD1 ILE 5 9.149 -11.437 -2.072 45 2HD1 ILE 5 2HD1 ILE 5 8.614 -12.112 -3.612 46 3HD1 ILE 5 3HD1 ILE 5 7.483 -11.210 -2.604 47 H VAL 6 H VAL 6 9.031 -5.474 -2.060 48 HA VAL 6 HA VAL 6 6.428 -4.959 -0.790 49 HB VAL 6 HB VAL 6 8.252 -4.164 0.593 50 1HG1 VAL 6 1HG1 VAL 6 9.139 -2.557 -1.802 51 2HG1 VAL 6 2HG1 VAL 6 9.957 -3.977 -1.155 52 3HG1 VAL 6 3HG1 VAL 6 9.853 -2.508 -0.193 53 1HG2 VAL 6 1HG2 VAL 6 6.098 -2.689 -0.222 54 2HG2 VAL 6 2HG2 VAL 6 7.437 -1.562 -0.462 55 3HG2 VAL 6 3HG2 VAL 6 7.163 -2.281 1.127 56 H TRP 7 H TRP 7 4.907 -4.076 -2.026 57 HA TRP 7 HA TRP 7 5.774 -2.559 -4.392 58 1HB TRP 7 2HB TRP 7 3.448 -4.390 -3.930 59 2HB TRP 7 1HB TRP 7 3.369 -3.153 -5.185 60 HD1 TRP 7 HD1 TRP 7 6.835 -4.377 -4.844 61 HE1 TRP 7 1HE TRP 7 7.417 -6.009 -6.736 62 HE3 TRP 7 3HE TRP 7 2.125 -5.236 -6.632 63 HZ2 TRP 7 2HZ TRP 7 6.050 -7.499 -8.709 64 HZ3 TRP 7 3HZ TRP 7 1.849 -6.780 -8.525 65 HH2 TRP 7 HH2 TRP 7 3.772 -7.888 -9.540 66 H VAL 8 H VAL 8 4.913 -0.594 -4.848 67 HA VAL 8 HA VAL 8 3.108 0.574 -2.823 68 HB VAL 8 HB VAL 8 5.139 2.296 -4.167 69 1HG1 VAL 8 1HG1 VAL 8 4.215 3.759 -2.790 70 2HG1 VAL 8 2HG1 VAL 8 4.910 2.867 -1.437 71 3HG1 VAL 8 3HG1 VAL 8 3.281 2.495 -1.998 72 1HG2 VAL 8 1HG2 VAL 8 6.402 1.637 -1.819 73 2HG2 VAL 8 2HG2 VAL 8 6.849 1.065 -3.427 74 3HG2 VAL 8 3HG2 VAL 8 5.812 0.077 -2.396 75 H VAL 9 H VAL 9 1.561 2.017 -3.543 76 HA VAL 9 HA VAL 9 1.465 2.480 -6.456 77 HB VAL 9 HB VAL 9 -1.169 2.670 -5.277 78 1HG1 VAL 9 1HG1 VAL 9 -0.999 2.425 -7.606 79 2HG1 VAL 9 2HG1 VAL 9 -1.572 0.851 -7.052 80 3HG1 VAL 9 3HG1 VAL 9 0.119 1.072 -7.467 81 1HG2 VAL 9 1HG2 VAL 9 -1.388 0.128 -4.973 82 2HG2 VAL 9 2HG2 VAL 9 -0.674 1.057 -3.657 83 3HG2 VAL 9 3HG2 VAL 9 0.362 0.140 -4.752 84 H ASP 10 H ASP 10 1.938 4.566 -6.801 85 HA ASP 10 HA ASP 10 0.417 6.640 -5.517 86 1HB ASP 10 2HB ASP 10 2.475 7.821 -4.629 87 2HB ASP 10 1HB ASP 10 2.013 6.364 -3.758 88 H ASP 11 H ASP 11 2.185 8.790 -6.050 89 HA ASP 11 HA ASP 11 1.633 9.199 -8.781 90 1HB ASP 11 2HB ASP 11 3.467 10.727 -6.924 91 2HB ASP 11 1HB ASP 11 2.955 11.282 -8.514 92 H ASP 12 H ASP 12 4.000 7.288 -7.461 93 HA ASP 12 HA ASP 12 5.827 6.257 -8.333 94 1HB ASP 12 2HB ASP 12 4.166 6.690 -10.483 95 2HB ASP 12 1HB ASP 12 5.672 7.425 -11.023 96 H SER 13 H SER 13 7.567 7.248 -10.442 97 HA SER 13 HA SER 13 9.608 8.285 -10.325 98 1HB SER 13 2HB SER 13 9.351 10.533 -11.103 99 2HB SER 13 1HB SER 13 8.021 9.559 -11.737 100 HG SER 13 HG SER 13 6.708 10.418 -10.067 101 H SER 14 H SER 14 8.251 11.071 -8.787 102 HA SER 14 HA SER 14 10.275 11.394 -6.943 103 1HB SER 14 2HB SER 14 8.771 13.217 -7.490 104 2HB SER 14 1HB SER 14 7.410 12.355 -6.773 105 HG SER 14 HG SER 14 9.576 12.708 -5.099 106 H ILE 15 H ILE 15 6.997 10.151 -6.225 107 HA ILE 15 HA ILE 15 7.603 9.430 -3.569 108 HB ILE 15 HB ILE 15 5.483 8.080 -5.219 109 1HG1 ILE 15 2HG1 ILE 15 5.331 10.534 -5.559 110 2HG1 ILE 15 1HG1 ILE 15 3.959 9.895 -4.664 111 1HG2 ILE 15 1HG2 ILE 15 5.805 8.695 -2.292 112 2HG2 ILE 15 2HG2 ILE 15 5.734 7.113 -3.065 113 3HG2 ILE 15 3HG2 ILE 15 4.294 8.130 -3.005 114 1HD1 ILE 15 1HD1 ILE 15 6.280 10.965 -3.152 115 2HD1 ILE 15 2HD1 ILE 15 4.569 10.924 -2.724 116 3HD1 ILE 15 3HD1 ILE 15 5.154 12.089 -3.912 117 H ARG 16 H ARG 16 8.113 7.849 -6.592 118 HA ARG 16 HA ARG 16 8.439 5.202 -5.570 119 1HB ARG 16 2HB ARG 16 7.852 5.599 -7.904 120 2HB ARG 16 1HB ARG 16 9.372 6.443 -8.163 121 1HG ARG 16 2HG ARG 16 10.541 4.309 -7.531 122 2HG ARG 16 1HG ARG 16 8.968 3.521 -7.593 123 1HD ARG 16 2HD ARG 16 8.933 3.503 -9.831 124 2HD ARG 16 1HD ARG 16 9.578 5.141 -9.949 125 HE ARG 16 HE ARG 16 11.597 3.344 -9.118 126 1HH1 ARG 16 1HH1 ARG 16 9.762 4.268 -11.938 127 2HH1 ARG 16 2HH1 ARG 16 11.000 3.792 -13.052 128 1HH2 ARG 16 1HH2 ARG 16 13.226 2.726 -10.580 129 2HH2 ARG 16 2HH2 ARG 16 12.966 2.920 -12.281 130 H TRP 17 H TRP 17 10.742 7.725 -6.608 131 HA TRP 17 HA TRP 17 13.063 6.248 -6.051 132 1HB TRP 17 2HB TRP 17 13.022 8.281 -7.468 133 2HB TRP 17 1HB TRP 17 12.762 9.256 -6.023 134 HD1 TRP 17 HD1 TRP 17 15.458 7.229 -7.819 135 HE1 TRP 17 1HE TRP 17 17.749 7.832 -6.812 136 HE3 TRP 17 3HE TRP 17 13.885 10.109 -3.907 137 HZ2 TRP 17 2HZ TRP 17 18.754 9.329 -4.640 138 HZ3 TRP 17 3HZ TRP 17 15.571 11.091 -2.411 139 HH2 TRP 17 HH2 TRP 17 17.956 10.709 -2.770 140 H VAL 18 H VAL 18 11.185 8.457 -4.021 141 HA VAL 18 HA VAL 18 13.027 8.549 -1.893 142 HB VAL 18 HB VAL 18 10.074 8.861 -1.475 143 1HG1 VAL 18 1HG1 VAL 18 11.037 10.761 -0.007 144 2HG1 VAL 18 2HG1 VAL 18 12.562 9.894 -0.177 145 3HG1 VAL 18 3HG1 VAL 18 11.170 9.095 0.550 146 1HG2 VAL 18 1HG2 VAL 18 11.331 11.369 -2.080 147 2HG2 VAL 18 2HG2 VAL 18 9.916 10.623 -2.818 148 3HG2 VAL 18 3HG2 VAL 18 11.525 10.259 -3.436 149 H LEU 19 H LEU 19 10.234 6.499 -2.471 150 HA LEU 19 HA LEU 19 10.595 5.111 0.011 151 1HB LEU 19 2HB LEU 19 8.418 5.560 -1.576 152 2HB LEU 19 1HB LEU 19 8.795 3.890 -1.952 153 HG LEU 19 HG LEU 19 7.121 4.069 -0.174 154 1HD1 LEU 19 1HD1 LEU 19 8.304 2.669 1.531 155 2HD1 LEU 19 2HD1 LEU 19 9.794 2.953 0.633 156 3HD1 LEU 19 3HD1 LEU 19 8.452 2.101 -0.133 157 1HD2 LEU 19 1HD2 LEU 19 9.253 5.710 1.124 158 2HD2 LEU 19 2HD2 LEU 19 8.092 4.818 2.105 159 3HD2 LEU 19 3HD2 LEU 19 7.528 6.039 0.965 160 H GLU 20 H GLU 20 11.416 4.544 -3.324 161 HA GLU 20 HA GLU 20 11.826 1.771 -3.111 162 1HB GLU 20 2HB GLU 20 12.905 1.848 -5.203 163 2HB GLU 20 1HB GLU 20 11.654 3.071 -5.252 164 1HG GLU 20 2HG GLU 20 13.357 4.792 -4.840 165 2HG GLU 20 1HG GLU 20 14.596 3.537 -4.860 166 H ARG 21 H ARG 21 14.291 4.323 -3.155 167 HA ARG 21 HA ARG 21 16.481 2.741 -2.601 168 1HB ARG 21 2HB ARG 21 15.918 5.625 -1.956 169 2HB ARG 21 1HB ARG 21 17.471 4.876 -1.610 170 1HG ARG 21 2HG ARG 21 16.580 4.382 -4.329 171 2HG ARG 21 1HG ARG 21 16.737 6.102 -3.964 172 1HD ARG 21 2HD ARG 21 18.892 4.124 -3.287 173 2HD ARG 21 1HD ARG 21 18.797 4.890 -4.870 174 HE ARG 21 HE ARG 21 19.010 7.044 -3.695 175 1HH1 ARG 21 1HH1 ARG 21 20.082 4.145 -2.050 176 2HH1 ARG 21 2HH1 ARG 21 21.172 4.998 -1.014 177 1HH2 ARG 21 1HH2 ARG 21 20.438 8.150 -2.321 178 2HH2 ARG 21 2HH2 ARG 21 21.371 7.263 -1.161 179 H ALA 22 H ALA 22 14.522 4.536 -0.211 180 HA ALA 22 HA ALA 22 15.952 3.630 2.018 181 1HB ALA 22 1HB ALA 22 13.297 4.893 1.616 182 2HB ALA 22 2HB ALA 22 14.684 5.448 2.555 183 3HB ALA 22 3HB ALA 22 13.649 4.167 3.185 184 H LEU 23 H LEU 23 13.408 2.109 0.206 185 HA LEU 23 HA LEU 23 13.017 0.097 2.257 186 1HB LEU 23 2HB LEU 23 11.477 1.005 0.081 187 2HB LEU 23 1HB LEU 23 11.862 -0.675 -0.249 188 HG LEU 23 HG LEU 23 10.681 0.253 2.363 189 1HD1 LEU 23 1HD1 LEU 23 8.614 0.230 1.537 190 2HD1 LEU 23 2HD1 LEU 23 8.927 -1.204 0.571 191 3HD1 LEU 23 3HD1 LEU 23 9.376 0.381 -0.046 192 1HD2 LEU 23 1HD2 LEU 23 9.959 -2.280 2.179 193 2HD2 LEU 23 2HD2 LEU 23 11.551 -1.822 2.802 194 3HD2 LEU 23 3HD2 LEU 23 11.377 -2.363 1.129 195 H ALA 24 H ALA 24 14.775 0.538 -0.684 196 HA ALA 24 HA ALA 24 15.438 -2.180 -1.138 197 1HB ALA 24 1HB ALA 24 17.314 -1.254 -2.490 198 2HB ALA 24 2HB ALA 24 16.886 0.359 -1.916 199 3HB ALA 24 3HB ALA 24 15.748 -0.555 -2.906 200 H GLY 25 H GLY 25 16.638 0.383 0.924 201 1HA GLY 25 2HA GLY 25 19.060 -0.894 1.706 202 2HA GLY 25 1HA GLY 25 18.219 0.373 2.598 203 H ALA 26 H ALA 26 15.724 -1.282 2.537 204 HA ALA 26 HA ALA 26 16.184 -2.690 4.981 205 1HB ALA 26 1HB ALA 26 13.711 -3.300 4.663 206 2HB ALA 26 2HB ALA 26 13.748 -2.185 3.296 207 3HB ALA 26 3HB ALA 26 14.118 -1.605 4.920 208 H GLY 27 H GLY 27 16.372 -3.472 1.679 209 1HA GLY 27 2HA GLY 27 17.271 -5.495 0.891 210 2HA GLY 27 1HA GLY 27 16.754 -6.277 2.373 211 H LEU 28 H LEU 28 14.478 -4.336 0.510 212 HA LEU 28 HA LEU 28 13.291 -6.836 -0.439 213 1HB LEU 28 2HB LEU 28 11.515 -4.585 0.321 214 2HB LEU 28 1HB LEU 28 11.194 -6.309 0.315 215 HG LEU 28 HG LEU 28 13.061 -6.214 2.223 216 1HD1 LEU 28 1HD1 LEU 28 12.110 -3.501 1.944 217 2HD1 LEU 28 2HD1 LEU 28 13.576 -4.121 2.672 218 3HD1 LEU 28 3HD1 LEU 28 12.069 -4.126 3.586 219 1HD2 LEU 28 1HD2 LEU 28 10.431 -6.821 2.087 220 2HD2 LEU 28 2HD2 LEU 28 10.413 -5.484 3.238 221 3HD2 LEU 28 3HD2 LEU 28 11.397 -6.911 3.560 222 H THR 29 H THR 29 11.739 -6.633 -2.193 223 HA THR 29 HA THR 29 12.788 -4.966 -4.287 224 HB THR 29 HB THR 29 10.406 -6.836 -4.247 225 HG1 THR 29 1HG THR 29 12.035 -8.019 -5.631 226 1HG2 THR 29 1HG2 THR 29 11.564 -6.466 -6.835 227 2HG2 THR 29 2HG2 THR 29 11.034 -4.915 -6.185 228 3HG2 THR 29 3HG2 THR 29 9.892 -6.253 -6.318 229 H CYS 30 H CYS 30 12.236 -2.918 -4.568 230 HA CYS 30 HA CYS 30 9.590 -2.052 -3.625 231 1HB CYS 30 2HB CYS 30 10.722 0.267 -3.691 232 2HB CYS 30 1HB CYS 30 11.141 -0.837 -2.387 233 HG CYS 30 HG CYS 30 13.159 -1.148 -4.559 234 H THR 31 H THR 31 8.178 -1.924 -5.239 235 HA THR 31 HA THR 31 8.999 -0.445 -7.642 236 HB THR 31 HB THR 31 8.784 -3.010 -7.983 237 HG1 THR 31 1HG THR 31 8.660 -1.259 -9.626 238 1HG2 THR 31 1HG2 THR 31 6.896 -3.903 -7.289 239 2HG2 THR 31 2HG2 THR 31 6.214 -3.261 -8.772 240 3HG2 THR 31 3HG2 THR 31 6.030 -2.381 -7.258 241 H THR 32 H THR 32 7.515 1.076 -8.347 242 HA THR 32 HA THR 32 5.087 1.293 -6.722 243 HB THR 32 HB THR 32 5.201 3.718 -7.063 244 HG1 THR 32 1HG THR 32 6.441 3.561 -9.049 245 1HG2 THR 32 1HG2 THR 32 6.694 2.284 -5.311 246 2HG2 THR 32 2HG2 THR 32 6.554 4.043 -5.326 247 3HG2 THR 32 3HG2 THR 32 7.920 3.259 -6.115 248 H PHE 33 H PHE 33 3.266 2.390 -7.659 249 HA PHE 33 HA PHE 33 3.060 2.181 -10.576 250 1HB PHE 33 2HB PHE 33 0.955 1.152 -8.688 251 2HB PHE 33 1HB PHE 33 0.962 1.046 -10.432 252 HD1 PHE 33 1HD PHE 33 3.175 0.095 -7.591 253 HD2 PHE 33 2HD PHE 33 1.483 -1.006 -11.324 254 HE1 PHE 33 1HE PHE 33 4.299 -2.079 -7.451 255 HE2 PHE 33 2HE PHE 33 2.588 -3.189 -11.193 256 HZ PHE 33 HZ PHE 33 3.993 -3.745 -9.258 257 H GLU 34 H GLU 34 0.820 3.106 -11.275 258 HA GLU 34 HA GLU 34 0.774 5.817 -10.604 259 1HB GLU 34 2HB GLU 34 -1.413 5.758 -11.933 260 2HB GLU 34 1HB GLU 34 0.037 5.181 -12.744 261 1HG GLU 34 2HG GLU 34 -0.848 3.192 -13.093 262 2HG GLU 34 1HG GLU 34 -1.284 3.021 -11.397 263 H ASN 35 H ASN 35 -2.450 4.615 -10.541 264 HA ASN 35 HA ASN 35 -2.842 5.726 -7.927 265 1HB ASN 35 2HB ASN 35 -4.698 4.747 -10.073 266 2HB ASN 35 1HB ASN 35 -5.288 5.104 -8.455 267 1HD2 ASN 35 1HD2 ASN 35 -5.215 7.230 -7.696 268 2HD2 ASN 35 2HD2 ASN 35 -5.113 8.569 -8.782 269 H GLY 36 H GLY 36 -4.162 2.822 -9.389 270 1HA GLY 36 2HA GLY 36 -3.163 1.138 -7.272 271 2HA GLY 36 1HA GLY 36 -4.893 1.413 -7.204 272 H ASN 37 H ASN 37 -5.427 1.451 -9.984 273 HA ASN 37 HA ASN 37 -5.886 -1.218 -10.495 274 1HB ASN 37 2HB ASN 37 -5.853 1.210 -12.222 275 2HB ASN 37 1HB ASN 37 -5.990 -0.373 -12.987 276 1HD2 ASN 37 1HD2 ASN 37 -7.595 -1.823 -11.509 277 2HD2 ASN 37 2HD2 ASN 37 -9.129 -1.075 -11.240 278 H GLU 38 H GLU 38 -3.053 0.670 -11.144 279 HA GLU 38 HA GLU 38 -1.795 -0.962 -13.027 280 1HB GLU 38 2HB GLU 38 -1.133 1.299 -11.488 281 2HB GLU 38 1HB GLU 38 0.116 0.110 -11.187 282 1HG GLU 38 2HG GLU 38 -0.616 0.462 -14.005 283 2HG GLU 38 1HG GLU 38 0.145 1.853 -13.238 284 H VAL 39 H VAL 39 -1.261 -0.964 -9.441 285 HA VAL 39 HA VAL 39 0.433 -3.174 -9.417 286 HB VAL 39 HB VAL 39 -1.581 -2.722 -7.227 287 1HG1 VAL 39 1HG1 VAL 39 1.191 -3.323 -6.554 288 2HG1 VAL 39 2HG1 VAL 39 0.424 -4.574 -7.530 289 3HG1 VAL 39 3HG1 VAL 39 -0.300 -4.082 -6.002 290 1HG2 VAL 39 1HG2 VAL 39 0.073 -0.731 -8.197 291 2HG2 VAL 39 2HG2 VAL 39 0.964 -1.396 -6.831 292 3HG2 VAL 39 3HG2 VAL 39 -0.676 -0.795 -6.604 293 H LEU 40 H LEU 40 -3.110 -3.108 -9.255 294 HA LEU 40 HA LEU 40 -3.571 -5.795 -8.758 295 1HB LEU 40 2HB LEU 40 -5.289 -4.325 -10.721 296 2HB LEU 40 1HB LEU 40 -5.758 -5.496 -9.506 297 HG LEU 40 HG LEU 40 -4.794 -2.718 -8.823 298 1HD1 LEU 40 1HD1 LEU 40 -7.351 -2.547 -8.299 299 2HD1 LEU 40 2HD1 LEU 40 -7.474 -3.731 -9.595 300 3HD1 LEU 40 3HD1 LEU 40 -6.726 -2.167 -9.894 301 1HD2 LEU 40 1HD2 LEU 40 -6.489 -3.623 -6.858 302 2HD2 LEU 40 2HD2 LEU 40 -4.722 -3.627 -6.781 303 3HD2 LEU 40 3HD2 LEU 40 -5.586 -5.074 -7.302 304 H ALA 41 H ALA 41 -3.176 -4.177 -11.896 305 HA ALA 41 HA ALA 41 -3.494 -6.399 -13.533 306 1HB ALA 41 1HB ALA 41 -2.483 -5.141 -15.263 307 2HB ALA 41 2HB ALA 41 -1.596 -4.144 -14.109 308 3HB ALA 41 3HB ALA 41 -3.348 -3.990 -14.248 309 H ALA 42 H ALA 42 -0.547 -5.044 -12.178 310 HA ALA 42 HA ALA 42 1.196 -7.025 -13.202 311 1HB ALA 42 1HB ALA 42 1.456 -4.621 -11.743 312 2HB ALA 42 2HB ALA 42 2.732 -5.586 -12.482 313 3HB ALA 42 3HB ALA 42 2.266 -5.878 -10.807 314 H LEU 43 H LEU 43 -0.809 -6.807 -10.380 315 HA LEU 43 HA LEU 43 0.460 -8.814 -8.847 316 1HB LEU 43 2HB LEU 43 -2.175 -7.431 -8.773 317 2HB LEU 43 1HB LEU 43 -1.951 -8.873 -7.799 318 HG LEU 43 HG LEU 43 0.077 -6.700 -7.596 319 1HD1 LEU 43 1HD1 LEU 43 -1.589 -6.039 -5.586 320 2HD1 LEU 43 2HD1 LEU 43 -2.755 -6.475 -6.834 321 3HD1 LEU 43 3HD1 LEU 43 -1.558 -5.223 -7.147 322 1HD2 LEU 43 1HD2 LEU 43 0.609 -8.625 -6.375 323 2HD2 LEU 43 2HD2 LEU 43 -1.053 -8.842 -5.821 324 3HD2 LEU 43 3HD2 LEU 43 -0.075 -7.517 -5.184 325 H ALA 44 H ALA 44 -1.808 -8.888 -11.440 326 HA ALA 44 HA ALA 44 -3.065 -11.326 -11.050 327 1HB ALA 44 1HB ALA 44 -3.608 -9.669 -12.827 328 2HB ALA 44 2HB ALA 44 -3.532 -11.335 -13.399 329 3HB ALA 44 3HB ALA 44 -2.193 -10.230 -13.718 330 H SER 45 H SER 45 0.230 -10.698 -11.792 331 HA SER 45 HA SER 45 0.662 -13.548 -12.249 332 1HB SER 45 2HB SER 45 1.077 -12.468 -14.343 333 2HB SER 45 1HB SER 45 2.052 -11.219 -13.568 334 HG SER 45 HG SER 45 3.654 -12.677 -13.217 335 H LYS 46 H LYS 46 1.144 -11.141 -10.064 336 HA LYS 46 HA LYS 46 3.244 -12.616 -8.769 337 1HB LYS 46 2HB LYS 46 3.991 -10.455 -10.348 338 2HB LYS 46 1HB LYS 46 3.948 -9.793 -8.719 339 1HG LYS 46 2HG LYS 46 5.270 -12.294 -8.588 340 2HG LYS 46 1HG LYS 46 5.950 -11.394 -9.945 341 1HD LYS 46 2HD LYS 46 5.818 -9.454 -8.056 342 2HD LYS 46 1HD LYS 46 6.116 -10.874 -7.053 343 1HE LYS 46 2HE LYS 46 7.785 -10.731 -9.454 344 2HE LYS 46 1HE LYS 46 8.036 -9.400 -8.327 345 1HZ LYS 46 1HZ LYS 46 9.513 -11.049 -7.645 346 2HZ LYS 46 2HZ LYS 46 8.388 -12.296 -7.851 347 3HZ LYS 46 3HZ LYS 46 8.218 -11.207 -6.568 348 H THR 47 H THR 47 3.528 -11.995 -6.536 349 HA THR 47 HA THR 47 1.478 -10.226 -5.478 350 HB THR 47 HB THR 47 1.932 -13.083 -4.622 351 HG1 THR 47 1HG THR 47 -0.444 -13.020 -5.023 352 1HG2 THR 47 1HG2 THR 47 0.215 -12.764 -2.939 353 2HG2 THR 47 2HG2 THR 47 0.133 -11.047 -3.328 354 3HG2 THR 47 3HG2 THR 47 1.603 -11.721 -2.625 355 HA PRO 48 HA PRO 48 5.230 -9.173 -3.210 356 1HB PRO 48 2HB PRO 48 4.407 -6.760 -2.324 357 2HB PRO 48 1HB PRO 48 4.978 -7.018 -3.975 358 1HG PRO 48 2HG PRO 48 2.199 -6.728 -2.953 359 2HG PRO 48 1HG PRO 48 2.897 -6.180 -4.485 360 1HD PRO 48 2HD PRO 48 1.337 -8.446 -4.161 361 2HD PRO 48 1HD PRO 48 2.433 -8.147 -5.519 362 H ASP 49 H ASP 49 5.730 -8.774 -0.924 363 HA ASP 49 HA ASP 49 3.950 -10.217 0.782 364 1HB ASP 49 2HB ASP 49 6.486 -8.703 1.425 365 2HB ASP 49 1HB ASP 49 5.617 -9.732 2.560 366 H VAL 50 H VAL 50 4.431 -6.866 0.050 367 HA VAL 50 HA VAL 50 2.282 -6.186 1.915 368 HB VAL 50 HB VAL 50 4.343 -5.764 3.147 369 1HG1 VAL 50 1HG1 VAL 50 6.083 -4.408 2.388 370 2HG1 VAL 50 2HG1 VAL 50 5.107 -3.722 1.093 371 3HG1 VAL 50 3HG1 VAL 50 5.657 -5.395 0.992 372 1HG2 VAL 50 1HG2 VAL 50 2.343 -4.231 3.324 373 2HG2 VAL 50 2HG2 VAL 50 3.227 -3.106 2.292 374 3HG2 VAL 50 3HG2 VAL 50 3.883 -3.564 3.865 375 H LEU 51 H LEU 51 1.503 -3.867 1.503 376 HA LEU 51 HA LEU 51 2.115 -2.808 -1.129 377 1HB LEU 51 2HB LEU 51 0.278 -4.680 -1.202 378 2HB LEU 51 1HB LEU 51 -0.765 -3.409 -0.598 379 HG LEU 51 HG LEU 51 -0.317 -2.051 -2.570 380 1HD1 LEU 51 1HD1 LEU 51 1.769 -4.089 -3.007 381 2HD1 LEU 51 2HD1 LEU 51 1.749 -2.374 -3.419 382 3HD1 LEU 51 3HD1 LEU 51 0.907 -3.539 -4.442 383 1HD2 LEU 51 1HD2 LEU 51 -2.099 -3.157 -3.327 384 2HD2 LEU 51 2HD2 LEU 51 -1.541 -4.678 -2.630 385 3HD2 LEU 51 3HD2 LEU 51 -0.977 -4.179 -4.222 386 H LEU 52 H LEU 52 1.958 -0.664 -1.173 387 HA LEU 52 HA LEU 52 0.518 0.703 1.012 388 1HB LEU 52 2HB LEU 52 3.198 0.872 0.294 389 2HB LEU 52 1HB LEU 52 2.490 2.293 -0.440 390 HG LEU 52 HG LEU 52 2.106 1.665 2.474 391 1HD1 LEU 52 1HD1 LEU 52 4.399 1.809 2.455 392 2HD1 LEU 52 2HD1 LEU 52 3.950 3.503 2.658 393 3HD1 LEU 52 3HD1 LEU 52 4.427 2.900 1.070 394 1HD2 LEU 52 1HD2 LEU 52 2.175 4.393 2.081 395 2HD2 LEU 52 2HD2 LEU 52 0.723 3.412 2.261 396 3HD2 LEU 52 3HD2 LEU 52 1.328 3.801 0.652 397 H SER 53 H SER 53 -1.144 2.020 0.428 398 HA SER 53 HA SER 53 -1.456 2.608 -2.439 399 1HB SER 53 2HB SER 53 -3.441 2.296 -0.200 400 2HB SER 53 1HB SER 53 -3.878 3.117 -1.699 401 HG SER 53 HG SER 53 -3.125 0.430 -1.302 402 H ASP 54 H ASP 54 -1.529 4.654 -3.187 403 HA ASP 54 HA ASP 54 -0.691 6.776 -1.479 404 1HB ASP 54 2HB ASP 54 -0.863 8.187 -3.492 405 2HB ASP 54 1HB ASP 54 0.042 6.706 -3.784 406 H ILE 55 H ILE 55 -3.745 5.728 -2.728 407 HA ILE 55 HA ILE 55 -5.876 6.505 -2.526 408 HB ILE 55 HB ILE 55 -5.309 5.784 -0.240 409 1HG1 ILE 55 2HG1 ILE 55 -7.586 6.750 -0.907 410 2HG1 ILE 55 1HG1 ILE 55 -7.240 6.572 0.797 411 1HG2 ILE 55 1HG2 ILE 55 -3.647 7.126 0.586 412 2HG2 ILE 55 2HG2 ILE 55 -5.068 7.704 1.452 413 3HG2 ILE 55 3HG2 ILE 55 -4.448 8.615 0.086 414 1HD1 ILE 55 1HD1 ILE 55 -7.550 8.726 1.154 415 2HD1 ILE 55 2HD1 ILE 55 -8.149 8.842 -0.500 416 3HD1 ILE 55 3HD1 ILE 55 -6.453 9.171 -0.151 417 H ARG 56 H ARG 56 -6.163 8.084 -4.063 418 HA ARG 56 HA ARG 56 -6.319 10.802 -3.104 419 1HB ARG 56 2HB ARG 56 -3.924 10.458 -3.858 420 2HB ARG 56 1HB ARG 56 -4.552 10.277 -5.489 421 1HG ARG 56 2HG ARG 56 -3.781 12.524 -5.190 422 2HG ARG 56 1HG ARG 56 -5.540 12.539 -5.318 423 1HD ARG 56 2HD ARG 56 -5.709 12.679 -2.879 424 2HD ARG 56 1HD ARG 56 -3.952 12.664 -2.755 425 HE ARG 56 HE ARG 56 -3.893 14.859 -3.503 426 1HH1 ARG 56 1HH1 ARG 56 -7.159 13.621 -3.622 427 2HH1 ARG 56 2HH1 ARG 56 -7.873 15.187 -3.809 428 1HH2 ARG 56 1HH2 ARG 56 -4.835 16.909 -3.756 429 2HH2 ARG 56 2HH2 ARG 56 -6.555 17.051 -3.888 430 H MET 57 H MET 57 -8.485 9.535 -3.754 431 HA MET 57 HA MET 57 -10.371 9.584 -5.006 432 1HB MET 57 2HB MET 57 -9.494 12.071 -5.071 433 2HB MET 57 1HB MET 57 -9.295 11.714 -6.781 434 1HG MET 57 2HG MET 57 -11.414 12.425 -6.917 435 2HG MET 57 1HG MET 57 -11.788 10.785 -6.395 436 1HE MET 57 1HE MET 57 -13.929 13.930 -4.626 437 2HE MET 57 2HE MET 57 -13.974 12.909 -6.062 438 3HE MET 57 3HE MET 57 -12.816 14.234 -5.958 439 HA PRO 58 HA PRO 58 -8.164 7.562 -8.711 440 1HB PRO 58 2HB PRO 58 -8.316 4.966 -7.891 441 2HB PRO 58 1HB PRO 58 -6.913 5.998 -7.592 442 1HG PRO 58 2HG PRO 58 -9.124 5.222 -5.746 443 2HG PRO 58 1HG PRO 58 -7.400 5.446 -5.410 444 1HD PRO 58 2HD PRO 58 -9.333 7.286 -4.815 445 2HD PRO 58 1HD PRO 58 -7.636 7.693 -5.099 446 H GLY 59 H GLY 59 -10.348 5.330 -7.029 447 1HA GLY 59 2HA GLY 59 -12.316 5.736 -9.190 448 2HA GLY 59 1HA GLY 59 -11.985 4.167 -8.472 449 H MET 60 H MET 60 -11.750 5.610 -5.797 450 HA MET 60 HA MET 60 -14.386 6.586 -5.244 451 1HB MET 60 2HB MET 60 -14.382 3.935 -5.294 452 2HB MET 60 1HB MET 60 -13.698 4.134 -3.687 453 1HG MET 60 2HG MET 60 -15.658 4.703 -2.803 454 2HG MET 60 1HG MET 60 -16.044 5.795 -4.131 455 1HE MET 60 1HE MET 60 -18.055 5.679 -4.595 456 2HE MET 60 2HE MET 60 -19.144 4.336 -4.246 457 3HE MET 60 3HE MET 60 -18.561 4.595 -5.891 458 H ASP 61 H ASP 61 -12.603 8.184 -4.793 459 HA ASP 61 HA ASP 61 -11.661 9.558 -3.248 460 1HB ASP 61 2HB ASP 61 -13.356 7.879 -1.706 461 2HB ASP 61 1HB ASP 61 -11.851 8.083 -0.818 462 H GLY 62 H GLY 62 -10.865 6.164 -3.156 463 1HA GLY 62 2HA GLY 62 -8.330 5.997 -3.662 464 2HA GLY 62 1HA GLY 62 -8.213 6.749 -2.091 465 H LEU 63 H LEU 63 -10.687 5.308 -1.278 466 HA LEU 63 HA LEU 63 -9.401 2.994 -0.226 467 1HB LEU 63 2HB LEU 63 -12.331 3.670 -0.147 468 2HB LEU 63 1HB LEU 63 -11.461 2.591 0.930 469 HG LEU 63 HG LEU 63 -10.101 4.834 1.428 470 1HD1 LEU 63 1HD1 LEU 63 -12.541 5.693 0.060 471 2HD1 LEU 63 2HD1 LEU 63 -11.036 6.562 0.360 472 3HD1 LEU 63 3HD1 LEU 63 -12.267 6.470 1.618 473 1HD2 LEU 63 1HD2 LEU 63 -11.583 5.153 3.368 474 2HD2 LEU 63 2HD2 LEU 63 -11.181 3.462 3.090 475 3HD2 LEU 63 3HD2 LEU 63 -12.760 4.075 2.620 476 H ALA 64 H ALA 64 -11.330 3.762 -2.986 477 HA ALA 64 HA ALA 64 -12.508 1.323 -3.624 478 1HB ALA 64 1HB ALA 64 -11.459 2.538 -6.001 479 2HB ALA 64 2HB ALA 64 -12.061 3.786 -4.912 480 3HB ALA 64 3HB ALA 64 -13.124 2.476 -5.426 481 H LEU 65 H LEU 65 -9.192 2.359 -3.820 482 HA LEU 65 HA LEU 65 -8.150 0.441 -5.562 483 1HB LEU 65 2HB LEU 65 -6.672 1.425 -3.144 484 2HB LEU 65 1HB LEU 65 -6.021 0.982 -4.709 485 HG LEU 65 HG LEU 65 -7.806 3.376 -4.327 486 1HD1 LEU 65 1HD1 LEU 65 -5.140 4.190 -4.722 487 2HD1 LEU 65 2HD1 LEU 65 -5.132 3.028 -3.396 488 3HD1 LEU 65 3HD1 LEU 65 -6.163 4.455 -3.310 489 1HD2 LEU 65 1HD2 LEU 65 -6.759 2.056 -6.588 490 2HD2 LEU 65 2HD2 LEU 65 -5.883 3.576 -6.426 491 3HD2 LEU 65 3HD2 LEU 65 -7.643 3.578 -6.527 492 H LEU 66 H LEU 66 -8.777 0.361 -2.113 493 HA LEU 66 HA LEU 66 -7.599 -2.136 -1.561 494 1HB LEU 66 2HB LEU 66 -9.929 -0.811 -0.174 495 2HB LEU 66 1HB LEU 66 -8.911 -2.076 0.495 496 HG LEU 66 HG LEU 66 -7.828 0.611 -0.329 497 1HD1 LEU 66 1HD1 LEU 66 -7.992 1.344 1.926 498 2HD1 LEU 66 2HD1 LEU 66 -8.623 -0.213 2.452 499 3HD1 LEU 66 3HD1 LEU 66 -9.596 0.827 1.414 500 1HD2 LEU 66 1HD2 LEU 66 -6.482 -1.656 0.151 501 2HD2 LEU 66 2HD2 LEU 66 -6.607 -1.033 1.795 502 3HD2 LEU 66 3HD2 LEU 66 -5.853 -0.055 0.537 503 H LYS 67 H LYS 67 -10.872 -1.195 -2.514 504 HA LYS 67 HA LYS 67 -12.189 -3.625 -2.264 505 1HB LYS 67 2HB LYS 67 -12.527 -1.513 -4.399 506 2HB LYS 67 1HB LYS 67 -13.657 -2.828 -4.113 507 1HG LYS 67 2HG LYS 67 -13.724 -1.882 -1.690 508 2HG LYS 67 1HG LYS 67 -13.100 -0.417 -2.453 509 1HD LYS 67 2HD LYS 67 -15.003 -0.158 -3.787 510 2HD LYS 67 1HD LYS 67 -15.503 -1.835 -3.556 511 1HE LYS 67 2HE LYS 67 -15.337 -0.435 -1.034 512 2HE LYS 67 1HE LYS 67 -16.404 0.404 -2.159 513 1HZ LYS 67 1HZ LYS 67 -16.602 -2.479 -1.479 514 2HZ LYS 67 2HZ LYS 67 -17.668 -1.599 -2.455 515 3HZ LYS 67 3HZ LYS 67 -17.561 -1.262 -0.801 516 H GLN 68 H GLN 68 -10.186 -2.415 -4.916 517 HA GLN 68 HA GLN 68 -10.565 -4.661 -6.597 518 1HB GLN 68 2HB GLN 68 -8.398 -2.559 -6.553 519 2HB GLN 68 1HB GLN 68 -8.625 -3.742 -7.833 520 1HG GLN 68 2HG GLN 68 -10.063 -2.423 -8.837 521 2HG GLN 68 1HG GLN 68 -11.087 -2.434 -7.393 522 1HE2 GLN 68 1HE2 GLN 68 -7.845 -1.086 -7.707 523 2HE2 GLN 68 2HE2 GLN 68 -8.303 0.554 -7.435 524 H ILE 69 H ILE 69 -8.002 -3.682 -4.353 525 HA ILE 69 HA ILE 69 -6.190 -5.727 -4.830 526 HB ILE 69 HB ILE 69 -6.763 -4.301 -2.234 527 1HG1 ILE 69 2HG1 ILE 69 -4.427 -3.722 -4.010 528 2HG1 ILE 69 1HG1 ILE 69 -6.007 -3.087 -4.466 529 1HG2 ILE 69 1HG2 ILE 69 -4.219 -4.927 -1.945 530 2HG2 ILE 69 2HG2 ILE 69 -4.662 -6.260 -3.010 531 3HG2 ILE 69 3HG2 ILE 69 -5.497 -6.047 -1.471 532 1HD1 ILE 69 1HD1 ILE 69 -5.256 -2.630 -1.667 533 2HD1 ILE 69 2HD1 ILE 69 -5.978 -1.539 -2.848 534 3HD1 ILE 69 3HD1 ILE 69 -4.237 -1.822 -2.858 535 H LYS 70 H LYS 70 -9.028 -5.666 -2.801 536 HA LYS 70 HA LYS 70 -8.546 -8.205 -1.610 537 1HB LYS 70 2HB LYS 70 -10.732 -7.983 -0.631 538 2HB LYS 70 1HB LYS 70 -9.922 -6.426 -0.550 539 1HG LYS 70 2HG LYS 70 -11.695 -5.518 -1.513 540 2HG LYS 70 1HG LYS 70 -11.300 -6.423 -2.972 541 1HD LYS 70 2HD LYS 70 -13.411 -7.196 -2.662 542 2HD LYS 70 1HD LYS 70 -12.553 -8.356 -1.646 543 1HE LYS 70 2HE LYS 70 -13.951 -7.729 -0.021 544 2HE LYS 70 1HE LYS 70 -12.997 -6.249 0.059 545 1HZ LYS 70 1HZ LYS 70 -15.583 -6.707 -1.282 546 2HZ LYS 70 2HZ LYS 70 -14.577 -5.441 -1.774 547 3HZ LYS 70 3HZ LYS 70 -15.158 -5.490 -0.186 548 H GLN 71 H GLN 71 -10.112 -7.084 -4.486 549 HA GLN 71 HA GLN 71 -11.617 -9.438 -4.979 550 1HB GLN 71 2HB GLN 71 -12.501 -7.643 -6.119 551 2HB GLN 71 1HB GLN 71 -10.926 -6.986 -6.524 552 1HG GLN 71 2HG GLN 71 -11.369 -9.528 -7.828 553 2HG GLN 71 1HG GLN 71 -12.653 -8.381 -8.191 554 1HE2 GLN 71 1HE2 GLN 71 -9.359 -7.451 -7.462 555 2HE2 GLN 71 2HE2 GLN 71 -8.975 -6.867 -9.043 556 H ARG 72 H ARG 72 -8.388 -8.392 -5.699 557 HA ARG 72 HA ARG 72 -7.894 -10.691 -7.408 558 1HB ARG 72 2HB ARG 72 -6.213 -8.314 -6.652 559 2HB ARG 72 1HB ARG 72 -5.562 -9.675 -7.562 560 1HG ARG 72 2HG ARG 72 -7.903 -8.960 -8.895 561 2HG ARG 72 1HG ARG 72 -7.129 -7.434 -8.464 562 1HD ARG 72 2HD ARG 72 -5.344 -7.799 -9.815 563 2HD ARG 72 1HD ARG 72 -5.380 -9.544 -9.579 564 HE ARG 72 HE ARG 72 -7.045 -8.020 -11.461 565 1HH1 ARG 72 1HH1 ARG 72 -5.791 -11.086 -10.332 566 2HH1 ARG 72 2HH1 ARG 72 -6.383 -11.964 -11.699 567 1HH2 ARG 72 1HH2 ARG 72 -7.823 -9.185 -13.245 568 2HH2 ARG 72 2HH2 ARG 72 -7.533 -10.888 -13.350 569 H HIS 73 H HIS 73 -6.188 -9.290 -4.650 570 HA HIS 73 HA HIS 73 -5.663 -12.006 -3.671 571 1HB HIS 73 2HB HIS 73 -3.504 -11.016 -2.714 572 2HB HIS 73 1HB HIS 73 -3.550 -11.317 -4.448 573 HD1 HIS 73 1HD HIS 73 -1.947 -9.104 -2.544 574 HD2 HIS 73 2HD HIS 73 -4.815 -8.504 -5.476 575 HE1 HIS 73 1HE HIS 73 -1.644 -6.729 -3.304 576 HE2 HIS 73 2HE HIS 73 -3.512 -6.341 -4.942 577 HA PRO 74 HA PRO 74 -7.829 -9.535 -0.391 578 1HB PRO 74 2HB PRO 74 -9.496 -11.539 0.382 579 2HB PRO 74 1HB PRO 74 -9.872 -10.432 -0.940 580 1HG PRO 74 2HG PRO 74 -8.782 -13.217 -1.053 581 2HG PRO 74 1HG PRO 74 -10.028 -12.460 -2.063 582 1HD PRO 74 2HD PRO 74 -7.463 -12.765 -2.886 583 2HD PRO 74 1HD PRO 74 -8.481 -11.407 -3.404 584 H MET 75 H MET 75 -5.356 -10.213 0.156 585 HA MET 75 HA MET 75 -5.534 -11.383 2.776 586 1HB MET 75 2HB MET 75 -3.876 -12.712 0.638 587 2HB MET 75 1HB MET 75 -3.729 -13.053 2.357 588 1HG MET 75 2HG MET 75 -6.260 -13.565 2.220 589 2HG MET 75 1HG MET 75 -5.964 -13.701 0.487 590 1HE MET 75 1HE MET 75 -6.825 -16.360 0.606 591 2HE MET 75 2HE MET 75 -7.171 -15.950 2.286 592 3HE MET 75 3HE MET 75 -6.261 -17.411 1.905 593 H LEU 76 H LEU 76 -3.572 -9.994 0.240 594 HA LEU 76 HA LEU 76 -1.258 -9.457 1.725 595 1HB LEU 76 2HB LEU 76 -2.177 -8.995 -0.861 596 2HB LEU 76 1HB LEU 76 -1.826 -7.399 -0.229 597 HG LEU 76 HG LEU 76 0.452 -8.393 0.454 598 1HD1 LEU 76 1HD1 LEU 76 0.742 -10.179 -1.647 599 2HD1 LEU 76 2HD1 LEU 76 -0.767 -10.646 -0.869 600 3HD1 LEU 76 3HD1 LEU 76 0.722 -10.560 0.073 601 1HD2 LEU 76 1HD2 LEU 76 -0.374 -6.937 -1.662 602 2HD2 LEU 76 2HD2 LEU 76 0.339 -8.326 -2.479 603 3HD2 LEU 76 3HD2 LEU 76 1.306 -7.372 -1.356 604 HA PRO 77 HA PRO 77 -2.546 -6.045 4.248 605 1HB PRO 77 2HB PRO 77 -0.160 -5.191 5.111 606 2HB PRO 77 1HB PRO 77 -0.816 -6.754 5.599 607 1HG PRO 77 2HG PRO 77 1.282 -6.132 3.579 608 2HG PRO 77 1HG PRO 77 1.185 -7.487 4.715 609 1HD PRO 77 2HD PRO 77 0.489 -7.586 2.029 610 2HD PRO 77 1HD PRO 77 -0.030 -8.747 3.264 611 H VAL 78 H VAL 78 -3.363 -4.270 3.345 612 HA VAL 78 HA VAL 78 -1.712 -2.640 1.566 613 HB VAL 78 HB VAL 78 -4.625 -2.154 2.124 614 1HG1 VAL 78 1HG1 VAL 78 -2.691 -1.427 -0.045 615 2HG1 VAL 78 2HG1 VAL 78 -3.730 -0.378 0.920 616 3HG1 VAL 78 3HG1 VAL 78 -4.432 -1.404 -0.332 617 1HG2 VAL 78 1HG2 VAL 78 -3.473 -4.090 0.113 618 2HG2 VAL 78 2HG2 VAL 78 -5.154 -3.552 0.155 619 3HG2 VAL 78 3HG2 VAL 78 -4.493 -4.488 1.495 620 H ILE 79 H ILE 79 -1.168 -0.557 2.021 621 HA ILE 79 HA ILE 79 -2.004 0.505 4.641 622 HB ILE 79 HB ILE 79 0.675 0.989 3.341 623 1HG1 ILE 79 2HG1 ILE 79 0.923 -0.499 5.754 624 2HG1 ILE 79 1HG1 ILE 79 -0.247 -1.332 4.738 625 1HG2 ILE 79 1HG2 ILE 79 0.422 1.350 6.210 626 2HG2 ILE 79 2HG2 ILE 79 -0.628 2.423 5.286 627 3HG2 ILE 79 3HG2 ILE 79 1.112 2.421 4.993 628 1HD1 ILE 79 1HD1 ILE 79 2.639 -0.782 4.239 629 2HD1 ILE 79 2HD1 ILE 79 1.540 -1.041 2.886 630 3HD1 ILE 79 3HD1 ILE 79 1.743 -2.296 4.107 631 H ILE 80 H ILE 80 -3.316 2.174 4.312 632 HA ILE 80 HA ILE 80 -2.946 3.840 1.936 633 HB ILE 80 HB ILE 80 -5.275 3.978 3.847 634 1HG1 ILE 80 2HG1 ILE 80 -6.401 2.584 1.970 635 2HG1 ILE 80 1HG1 ILE 80 -4.760 2.129 1.523 636 1HG2 ILE 80 1HG2 ILE 80 -5.879 5.660 2.543 637 2HG2 ILE 80 2HG2 ILE 80 -5.990 4.539 1.187 638 3HG2 ILE 80 3HG2 ILE 80 -4.484 5.404 1.500 639 1HD1 ILE 80 1HD1 ILE 80 -5.387 1.818 4.362 640 2HD1 ILE 80 2HD1 ILE 80 -4.549 0.733 3.254 641 3HD1 ILE 80 3HD1 ILE 80 -6.312 0.783 3.276 642 H MET 81 H MET 81 -2.361 5.909 1.991 643 HA MET 81 HA MET 81 -1.321 6.977 4.473 644 1HB MET 81 2HB MET 81 -0.305 8.675 3.065 645 2HB MET 81 1HB MET 81 0.005 7.064 2.429 646 1HG MET 81 2HG MET 81 -1.235 7.406 0.567 647 2HG MET 81 1HG MET 81 -2.363 8.485 1.384 648 1HE MET 81 1HE MET 81 -1.516 10.536 2.501 649 2HE MET 81 2HE MET 81 -0.972 11.816 1.418 650 3HE MET 81 3HE MET 81 0.192 10.963 2.432 651 H THR 82 H THR 82 -4.272 7.268 2.859 652 HA THR 82 HA THR 82 -4.989 9.578 4.481 653 HB THR 82 HB THR 82 -5.482 9.595 1.505 654 HG1 THR 82 1HG THR 82 -3.798 10.974 1.343 655 1HG2 THR 82 1HG2 THR 82 -7.075 11.021 2.270 656 2HG2 THR 82 2HG2 THR 82 -5.706 12.124 2.150 657 3HG2 THR 82 3HG2 THR 82 -6.159 11.449 3.715 658 H ALA 83 H ALA 83 -7.065 9.539 5.180 659 HA ALA 83 HA ALA 83 -8.826 7.504 3.982 660 1HB ALA 83 1HB ALA 83 -9.327 8.108 6.802 661 2HB ALA 83 2HB ALA 83 -7.771 7.340 6.486 662 3HB ALA 83 3HB ALA 83 -9.261 6.558 5.961 663 H HIS 84 H HIS 84 -9.708 9.194 2.668 664 HA HIS 84 HA HIS 84 -10.913 11.518 3.760 665 1HB HIS 84 2HB HIS 84 -11.197 10.085 1.124 666 2HB HIS 84 1HB HIS 84 -12.166 11.504 1.504 667 HD1 HIS 84 1HD HIS 84 -9.136 12.201 3.105 668 HD2 HIS 84 2HD HIS 84 -10.314 12.165 -0.879 669 HE1 HIS 84 1HE HIS 84 -7.456 13.621 1.896 670 HE2 HIS 84 2HE HIS 84 -8.133 13.511 -0.529 671 H SER 85 H SER 85 -13.495 11.588 2.710 672 HA SER 85 HA SER 85 -14.890 10.105 4.739 673 1HB SER 85 2HB SER 85 -15.326 12.527 3.622 674 2HB SER 85 1HB SER 85 -16.463 11.550 2.692 675 HG SER 85 HG SER 85 -16.327 11.441 5.511 676 H ASP 86 H ASP 86 -14.446 7.961 3.980 677 HA ASP 86 HA ASP 86 -16.592 6.783 2.633 678 1HB ASP 86 2HB ASP 86 -15.510 7.819 0.640 679 2HB ASP 86 1HB ASP 86 -14.074 6.852 0.960 680 H LEU 87 H LEU 87 -14.801 6.513 4.948 681 HA LEU 87 HA LEU 87 -12.989 4.497 4.945 682 1HB LEU 87 2HB LEU 87 -14.513 5.860 6.856 683 2HB LEU 87 1HB LEU 87 -14.773 4.160 7.188 684 HG LEU 87 HG LEU 87 -12.919 5.142 8.496 685 1HD1 LEU 87 1HD1 LEU 87 -11.363 3.302 6.904 686 2HD1 LEU 87 2HD1 LEU 87 -13.004 2.710 7.155 687 3HD1 LEU 87 3HD1 LEU 87 -11.993 3.125 8.541 688 1HD2 LEU 87 1HD2 LEU 87 -11.609 6.613 7.452 689 2HD2 LEU 87 2HD2 LEU 87 -12.104 6.047 5.858 690 3HD2 LEU 87 3HD2 LEU 87 -10.806 5.223 6.722 691 H ASP 88 H ASP 88 -16.365 4.157 4.344 692 HA ASP 88 HA ASP 88 -16.968 1.603 5.096 693 1HB ASP 88 2HB ASP 88 -17.789 3.230 2.713 694 2HB ASP 88 1HB ASP 88 -18.369 1.576 2.903 695 H ALA 89 H ALA 89 -15.234 2.562 2.141 696 HA ALA 89 HA ALA 89 -15.021 -0.107 1.178 697 1HB ALA 89 1HB ALA 89 -13.838 0.759 -0.625 698 2HB ALA 89 2HB ALA 89 -13.223 2.110 0.316 699 3HB ALA 89 3HB ALA 89 -14.914 2.076 -0.165 700 H ALA 90 H ALA 90 -13.219 1.776 3.422 701 HA ALA 90 HA ALA 90 -10.732 0.412 3.197 702 1HB ALA 90 1HB ALA 90 -10.795 2.567 4.280 703 2HB ALA 90 2HB ALA 90 -10.250 1.361 5.438 704 3HB ALA 90 3HB ALA 90 -11.906 1.964 5.504 705 H VAL 91 H VAL 91 -13.634 -0.045 5.147 706 HA VAL 91 HA VAL 91 -12.709 -1.969 6.899 707 HB VAL 91 HB VAL 91 -15.465 -2.239 5.776 708 1HG1 VAL 91 1HG1 VAL 91 -13.989 -2.947 8.228 709 2HG1 VAL 91 2HG1 VAL 91 -15.336 -3.768 7.432 710 3HG1 VAL 91 3HG1 VAL 91 -15.643 -2.375 8.468 711 1HG2 VAL 91 1HG2 VAL 91 -14.418 -0.003 7.498 712 2HG2 VAL 91 2HG2 VAL 91 -16.112 -0.488 7.519 713 3HG2 VAL 91 3HG2 VAL 91 -15.384 0.105 6.026 714 H SER 92 H SER 92 -13.857 -2.374 3.582 715 HA SER 92 HA SER 92 -13.838 -5.194 3.579 716 1HB SER 92 2HB SER 92 -13.881 -5.042 1.170 717 2HB SER 92 1HB SER 92 -14.915 -3.772 1.821 718 HG SER 92 HG SER 92 -12.375 -3.558 0.624 719 H ALA 93 H ALA 93 -11.361 -2.861 3.599 720 HA ALA 93 HA ALA 93 -9.313 -4.434 2.409 721 1HB ALA 93 1HB ALA 93 -8.643 -2.228 4.254 722 2HB ALA 93 2HB ALA 93 -9.560 -1.828 2.800 723 3HB ALA 93 3HB ALA 93 -7.987 -2.612 2.661 724 H TYR 94 H TYR 94 -9.950 -3.393 5.717 725 HA TYR 94 HA TYR 94 -7.938 -4.854 6.963 726 1HB TYR 94 2HB TYR 94 -10.566 -4.462 8.346 727 2HB TYR 94 1HB TYR 94 -8.940 -4.357 9.005 728 HD1 TYR 94 1HD TYR 94 -7.513 -2.417 7.629 729 HD2 TYR 94 2HD TYR 94 -11.706 -2.480 8.362 730 HE1 TYR 94 1HE TYR 94 -7.585 0.028 7.395 731 HE2 TYR 94 2HE TYR 94 -11.787 -0.032 8.123 732 HH TYR 94 HH TYR 94 -9.838 1.919 8.468 733 H GLN 95 H GLN 95 -11.118 -5.808 5.942 734 HA GLN 95 HA GLN 95 -11.077 -8.327 7.309 735 1HB GLN 95 2HB GLN 95 -13.117 -8.831 6.105 736 2HB GLN 95 1HB GLN 95 -13.177 -7.191 6.734 737 1HG GLN 95 2HG GLN 95 -14.015 -6.889 4.639 738 2HG GLN 95 1HG GLN 95 -12.310 -6.549 4.383 739 1HE2 GLN 95 1HE2 GLN 95 -13.320 -7.043 2.138 740 2HE2 GLN 95 2HE2 GLN 95 -13.131 -8.674 1.599 741 H GLN 96 H GLN 96 -10.016 -7.180 4.190 742 HA GLN 96 HA GLN 96 -9.623 -9.864 3.203 743 1HB GLN 96 2HB GLN 96 -8.919 -8.900 1.136 744 2HB GLN 96 1HB GLN 96 -10.342 -8.015 1.675 745 1HG GLN 96 2HG GLN 96 -9.125 -6.201 1.211 746 2HG GLN 96 1HG GLN 96 -8.347 -6.531 2.752 747 1HE2 GLN 96 1HE2 GLN 96 -6.235 -6.929 2.793 748 2HE2 GLN 96 2HE2 GLN 96 -5.239 -7.164 1.399 749 H GLY 97 H GLY 97 -7.946 -7.762 5.202 750 1HA GLY 97 2HA GLY 97 -5.932 -8.836 6.181 751 2HA GLY 97 1HA GLY 97 -5.400 -9.101 4.530 752 H ALA 98 H ALA 98 -6.877 -6.086 4.757 753 HA ALA 98 HA ALA 98 -4.586 -4.651 4.143 754 1HB ALA 98 1HB ALA 98 -6.875 -3.848 3.748 755 2HB ALA 98 2HB ALA 98 -5.865 -2.646 4.546 756 3HB ALA 98 3HB ALA 98 -7.053 -3.558 5.477 757 H PHE 99 H PHE 99 -3.421 -3.007 5.385 758 HA PHE 99 HA PHE 99 -2.795 -3.989 8.023 759 1HB PHE 99 2HB PHE 99 -1.065 -3.251 6.285 760 2HB PHE 99 1HB PHE 99 -1.523 -1.601 6.701 761 HD1 PHE 99 1HD PHE 99 -1.123 -4.580 8.890 762 HD2 PHE 99 2HD PHE 99 0.319 -0.722 7.813 763 HE1 PHE 99 1HE PHE 99 0.434 -4.637 10.792 764 HE2 PHE 99 2HE PHE 99 1.886 -0.774 9.712 765 HZ PHE 99 HZ PHE 99 1.943 -2.733 11.206 766 H ASP 100 H ASP 100 -3.709 -0.810 6.644 767 HA ASP 100 HA ASP 100 -5.628 -0.127 8.482 768 1HB ASP 100 2HB ASP 100 -3.079 -0.159 9.747 769 2HB ASP 100 1HB ASP 100 -3.579 1.523 9.622 770 H TYR 101 H TYR 101 -5.083 2.558 9.045 771 HA TYR 101 HA TYR 101 -4.658 3.741 6.390 772 1HB TYR 101 2HB TYR 101 -7.119 3.666 7.978 773 2HB TYR 101 1HB TYR 101 -6.668 5.288 7.459 774 HD1 TYR 101 1HD TYR 101 -7.445 1.866 6.246 775 HD2 TYR 101 2HD TYR 101 -6.939 5.975 5.236 776 HE1 TYR 101 1HE TYR 101 -8.400 1.441 4.010 777 HE2 TYR 101 2HE TYR 101 -7.880 5.558 3.008 778 HH TYR 101 HH TYR 101 -8.087 3.475 1.456 779 H LEU 102 H LEU 102 -4.082 5.956 6.382 780 HA LEU 102 HA LEU 102 -2.785 6.805 8.870 781 1HB LEU 102 2HB LEU 102 -1.996 6.773 6.141 782 2HB LEU 102 1HB LEU 102 -2.060 8.447 6.654 783 HG LEU 102 HG LEU 102 -0.496 7.994 8.455 784 1HD1 LEU 102 1HD1 LEU 102 0.268 5.928 9.066 785 2HD1 LEU 102 2HD1 LEU 102 -0.011 5.233 7.472 786 3HD1 LEU 102 3HD1 LEU 102 -1.369 5.511 8.561 787 1HD2 LEU 102 1HD2 LEU 102 0.188 7.230 5.664 788 2HD2 LEU 102 2HD2 LEU 102 1.409 7.045 6.922 789 3HD2 LEU 102 3HD2 LEU 102 0.698 8.627 6.607 790 HA PRO 103 HA PRO 103 -6.068 9.841 9.226 791 1HB PRO 103 2HB PRO 103 -4.980 11.159 11.375 792 2HB PRO 103 1HB PRO 103 -5.947 9.688 11.500 793 1HG PRO 103 2HG PRO 103 -2.985 10.025 11.587 794 2HG PRO 103 1HG PRO 103 -4.021 8.929 12.515 795 1HD PRO 103 2HD PRO 103 -2.550 8.113 10.388 796 2HD PRO 103 1HD PRO 103 -4.100 7.371 10.828 797 H LYS 104 H LYS 104 -2.975 11.297 10.212 798 HA LYS 104 HA LYS 104 -3.326 13.279 8.069 799 1HB LYS 104 2HB LYS 104 -2.780 13.661 10.968 800 2HB LYS 104 1HB LYS 104 -1.997 14.758 9.837 801 1HG LYS 104 2HG LYS 104 -3.858 15.964 9.910 802 2HG LYS 104 1HG LYS 104 -4.610 14.683 8.957 803 1HD LYS 104 2HD LYS 104 -5.396 13.592 10.957 804 2HD LYS 104 1HD LYS 104 -4.527 14.749 11.971 805 1HE LYS 104 2HE LYS 104 -6.553 15.705 9.992 806 2HE LYS 104 1HE LYS 104 -7.076 15.058 11.546 807 1HZ LYS 104 1HZ LYS 104 -6.192 17.624 11.002 808 2HZ LYS 104 2HZ LYS 104 -4.971 16.906 11.925 809 3HZ LYS 104 3HZ LYS 104 -6.555 16.963 12.516 810 HA PRO 105 HA PRO 105 1.507 13.044 8.977 811 1HB PRO 105 2HB PRO 105 2.085 10.570 10.179 812 2HB PRO 105 1HB PRO 105 2.186 12.157 10.946 813 1HG PRO 105 2HG PRO 105 -0.003 10.135 11.054 814 2HG PRO 105 1HG PRO 105 0.582 11.230 12.321 815 1HD PRO 105 2HD PRO 105 -1.696 11.725 11.040 816 2HD PRO 105 1HD PRO 105 -0.593 13.049 11.458 817 H PHE 106 H PHE 106 3.079 11.755 7.790 818 HA PHE 106 HA PHE 106 2.442 9.326 6.535 819 1HB PHE 106 2HB PHE 106 0.834 10.587 5.236 820 2HB PHE 106 1HB PHE 106 2.049 11.791 4.821 821 HD1 PHE 106 1HD PHE 106 1.561 8.086 4.569 822 HD2 PHE 106 2HD PHE 106 2.976 11.653 2.723 823 HE1 PHE 106 1HE PHE 106 2.152 6.806 2.557 824 HE2 PHE 106 2HE PHE 106 3.558 10.377 0.702 825 HZ PHE 106 HZ PHE 106 3.150 7.950 0.618 826 H ASP 107 H ASP 107 3.962 11.646 4.434 827 HA ASP 107 HA ASP 107 6.100 11.624 3.599 828 1HB ASP 107 2HB ASP 107 7.743 12.403 5.196 829 2HB ASP 107 1HB ASP 107 6.196 13.161 5.557 830 H ILE 108 H ILE 108 8.469 10.618 4.070 831 HA ILE 108 HA ILE 108 8.099 7.826 3.805 832 HB ILE 108 HB ILE 108 10.247 9.629 3.363 833 1HG1 ILE 108 2HG1 ILE 108 11.026 7.799 1.914 834 2HG1 ILE 108 1HG1 ILE 108 9.889 6.707 2.696 835 1HG2 ILE 108 1HG2 ILE 108 12.129 8.179 4.040 836 2HG2 ILE 108 2HG2 ILE 108 10.988 7.173 4.934 837 3HG2 ILE 108 3HG2 ILE 108 11.251 8.849 5.416 838 1HD1 ILE 108 1HD1 ILE 108 8.033 7.811 1.772 839 2HD1 ILE 108 2HD1 ILE 108 9.197 7.626 0.459 840 3HD1 ILE 108 3HD1 ILE 108 9.010 9.187 1.258 841 H ASP 109 H ASP 109 9.341 9.789 6.426 842 HA ASP 109 HA ASP 109 10.287 7.858 8.132 843 1HB ASP 109 2HB ASP 109 10.336 10.351 8.499 844 2HB ASP 109 1HB ASP 109 8.674 10.233 9.068 845 H GLU 110 H GLU 110 6.942 9.131 8.234 846 HA GLU 110 HA GLU 110 6.112 7.073 10.008 847 1HB GLU 110 2HB GLU 110 4.414 8.989 8.414 848 2HB GLU 110 1HB GLU 110 3.865 7.996 9.754 849 1HG GLU 110 2HG GLU 110 6.157 9.654 10.425 850 2HG GLU 110 1HG GLU 110 4.747 10.583 9.915 851 H ALA 111 H ALA 111 6.081 7.492 6.558 852 HA ALA 111 HA ALA 111 4.196 5.450 5.984 853 1HB ALA 111 1HB ALA 111 5.318 5.503 3.692 854 2HB ALA 111 2HB ALA 111 6.316 6.805 4.345 855 3HB ALA 111 3HB ALA 111 4.562 6.995 4.259 856 H VAL 112 H VAL 112 7.747 5.466 5.540 857 HA VAL 112 HA VAL 112 8.022 2.723 5.123 858 HB VAL 112 HB VAL 112 10.031 4.508 6.497 859 1HG1 VAL 112 1HG1 VAL 112 10.049 1.760 6.081 860 2HG1 VAL 112 2HG1 VAL 112 11.432 2.781 6.485 861 3HG1 VAL 112 3HG1 VAL 112 11.073 2.412 4.798 862 1HG2 VAL 112 1HG2 VAL 112 9.806 5.635 4.527 863 2HG2 VAL 112 2HG2 VAL 112 9.235 4.216 3.652 864 3HG2 VAL 112 3HG2 VAL 112 10.953 4.399 4.010 865 H ALA 113 H ALA 113 7.684 4.570 8.027 866 HA ALA 113 HA ALA 113 8.516 2.641 9.900 867 1HB ALA 113 1HB ALA 113 6.494 4.853 10.201 868 2HB ALA 113 2HB ALA 113 8.234 5.005 10.455 869 3HB ALA 113 3HB ALA 113 7.274 3.982 11.524 870 H LEU 114 H LEU 114 5.348 3.478 8.585 871 HA LEU 114 HA LEU 114 3.996 1.429 10.027 872 1HB LEU 114 2HB LEU 114 2.929 3.554 9.377 873 2HB LEU 114 1HB LEU 114 3.052 3.083 7.694 874 HG LEU 114 HG LEU 114 1.618 1.053 8.336 875 1HD1 LEU 114 1HD1 LEU 114 0.060 1.691 10.278 876 2HD1 LEU 114 2HD1 LEU 114 1.374 2.747 10.796 877 3HD1 LEU 114 3HD1 LEU 114 1.641 1.009 10.667 878 1HD2 LEU 114 1HD2 LEU 114 -0.287 2.188 7.724 879 2HD2 LEU 114 2HD2 LEU 114 0.974 3.286 7.161 880 3HD2 LEU 114 3HD2 LEU 114 0.128 3.611 8.676 881 H VAL 115 H VAL 115 5.676 1.540 7.009 882 HA VAL 115 HA VAL 115 4.242 -0.693 5.900 883 HB VAL 115 HB VAL 115 5.384 1.091 4.497 884 1HG1 VAL 115 1HG1 VAL 115 7.673 0.944 4.004 885 2HG1 VAL 115 2HG1 VAL 115 7.839 -0.607 4.828 886 3HG1 VAL 115 3HG1 VAL 115 7.577 0.864 5.759 887 1HG2 VAL 115 1HG2 VAL 115 6.409 -1.112 3.113 888 2HG2 VAL 115 2HG2 VAL 115 4.803 -0.400 2.957 889 3HG2 VAL 115 3HG2 VAL 115 5.069 -1.737 4.075 890 H GLU 116 H GLU 116 7.470 -0.246 7.304 891 HA GLU 116 HA GLU 116 8.288 -2.935 7.041 892 1HB GLU 116 2HB GLU 116 9.164 -0.745 8.929 893 2HB GLU 116 1HB GLU 116 9.957 -2.312 8.828 894 1HG GLU 116 2HG GLU 116 10.658 -1.916 6.604 895 2HG GLU 116 1HG GLU 116 9.620 -0.498 6.459 896 H ARG 117 H ARG 117 6.671 -1.187 9.662 897 HA ARG 117 HA ARG 117 6.719 -3.267 11.543 898 1HB ARG 117 2HB ARG 117 4.762 -0.993 11.198 899 2HB ARG 117 1HB ARG 117 4.794 -2.061 12.596 900 1HG ARG 117 2HG ARG 117 7.084 -0.320 11.715 901 2HG ARG 117 1HG ARG 117 5.935 0.087 12.988 902 1HD ARG 117 2HD ARG 117 7.567 -2.436 13.045 903 2HD ARG 117 1HD ARG 117 8.172 -0.914 13.694 904 HE ARG 117 HE ARG 117 5.608 -1.543 14.748 905 1HH1 ARG 117 1HH1 ARG 117 8.997 -2.329 15.021 906 2HH1 ARG 117 2HH1 ARG 117 8.875 -2.836 16.672 907 1HH2 ARG 117 1HH2 ARG 117 5.441 -2.212 16.917 908 2HH2 ARG 117 2HH2 ARG 117 6.851 -2.774 17.750 909 H ALA 118 H ALA 118 4.821 -2.788 8.719 910 HA ALA 118 HA ALA 118 2.648 -4.479 9.422 911 1HB ALA 118 1HB ALA 118 3.518 -2.996 7.063 912 2HB ALA 118 2HB ALA 118 1.895 -3.292 7.680 913 3HB ALA 118 3HB ALA 118 2.694 -4.510 6.691 914 H ILE 119 H ILE 119 5.550 -4.934 7.418 915 HA ILE 119 HA ILE 119 5.038 -7.676 6.899 916 HB ILE 119 HB ILE 119 7.722 -6.315 6.776 917 1HG1 ILE 119 2HG1 ILE 119 6.096 -6.502 4.314 918 2HG1 ILE 119 1HG1 ILE 119 5.552 -5.316 5.497 919 1HG2 ILE 119 1HG2 ILE 119 6.537 -8.719 5.413 920 2HG2 ILE 119 2HG2 ILE 119 7.945 -8.648 6.475 921 3HG2 ILE 119 3HG2 ILE 119 8.016 -7.931 4.862 922 1HD1 ILE 119 1HD1 ILE 119 7.047 -4.296 3.902 923 2HD1 ILE 119 2HD1 ILE 119 8.293 -5.487 4.279 924 3HD1 ILE 119 3HD1 ILE 119 7.785 -4.322 5.502 925 H SER 120 H SER 120 6.728 -5.909 9.354 926 HA SER 120 HA SER 120 8.165 -8.091 10.454 927 1HB SER 120 2HB SER 120 8.410 -5.455 10.752 928 2HB SER 120 1HB SER 120 7.405 -5.774 12.166 929 HG SER 120 HG SER 120 9.031 -7.468 12.642 930 H HIS 121 H HIS 121 5.157 -6.450 11.402 931 HA HIS 121 HA HIS 121 4.591 -7.955 13.670 932 1HB HIS 121 2HB HIS 121 2.887 -6.424 11.741 933 2HB HIS 121 1HB HIS 121 2.135 -7.358 13.030 934 HD1 HIS 121 1HD HIS 121 5.360 -5.705 13.815 935 HD2 HIS 121 2HD HIS 121 1.299 -4.909 14.202 936 HE1 HIS 121 1HE HIS 121 5.205 -3.762 15.404 937 HE2 HIS 121 2HE HIS 121 2.734 -3.360 15.696 938 H TYR 122 H TYR 122 4.248 -8.745 10.327 939 HA TYR 122 HA TYR 122 2.484 -10.957 10.772 940 1HB TYR 122 2HB TYR 122 3.932 -9.870 8.384 941 2HB TYR 122 1HB TYR 122 3.168 -11.457 8.317 942 HD1 TYR 122 1HD TYR 122 0.700 -11.206 9.698 943 HD2 TYR 122 2HD TYR 122 2.639 -8.320 7.248 944 HE1 TYR 122 1HE TYR 122 -1.470 -10.141 9.246 945 HE2 TYR 122 2HE TYR 122 0.479 -7.250 6.790 946 HH TYR 122 HH TYR 122 -1.797 -7.535 6.920 947 H GLN 123 H GLN 123 5.871 -10.677 9.687 948 HA GLN 123 HA GLN 123 7.637 -12.100 9.867 949 1HB GLN 123 2HB GLN 123 6.734 -11.909 12.328 950 2HB GLN 123 1HB GLN 123 6.262 -13.582 12.071 951 1HG GLN 123 2HG GLN 123 8.327 -14.287 12.427 952 2HG GLN 123 1HG GLN 123 8.973 -13.177 11.220 953 1HE2 GLN 123 1HE2 GLN 123 8.573 -13.838 14.544 954 2HE2 GLN 123 2HE2 GLN 123 9.378 -12.439 15.158 955 H GLU 124 H GLU 124 8.209 -14.551 9.949 956 HA GLU 124 HA GLU 124 8.062 -16.582 8.937 957 1HB GLU 124 2HB GLU 124 5.082 -16.235 9.318 958 2HB GLU 124 1HB GLU 124 5.925 -17.749 9.021 959 1HG GLU 124 2HG GLU 124 7.082 -17.531 11.155 960 2HG GLU 124 1HG GLU 124 6.250 -16.005 11.453 Start of MODEL 17 1 1H MET 1 1HT MET 1 10.028 -18.716 0.253 2 2H MET 1 2HT MET 1 10.441 -18.796 1.917 3 3H MET 1 3HT MET 1 11.438 -19.557 0.747 4 HA MET 1 HA MET 1 11.989 -17.237 1.779 5 1HB MET 1 2HB MET 1 13.320 -16.843 -0.275 6 2HB MET 1 1HB MET 1 13.410 -18.509 0.280 7 1HG MET 1 2HG MET 1 11.915 -19.236 -1.427 8 2HG MET 1 1HG MET 1 11.555 -17.573 -1.891 9 1HE MET 1 1HE MET 1 12.086 -19.742 -3.708 10 2HE MET 1 2HE MET 1 13.639 -19.799 -4.541 11 3HE MET 1 3HE MET 1 12.550 -18.437 -4.798 12 H GLN 2 H GLN 2 11.642 -15.071 1.521 13 HA GLN 2 HA GLN 2 9.537 -14.290 -0.378 14 1HB GLN 2 2HB GLN 2 9.864 -13.723 2.501 15 2HB GLN 2 1HB GLN 2 9.350 -12.365 1.511 16 1HG GLN 2 2HG GLN 2 7.367 -13.401 0.891 17 2HG GLN 2 1HG GLN 2 7.960 -15.005 1.318 18 1HE2 GLN 2 1HE2 GLN 2 8.091 -15.574 3.529 19 2HE2 GLN 2 2HE2 GLN 2 7.122 -14.772 4.711 20 H ARG 3 H ARG 3 12.517 -13.418 1.185 21 HA ARG 3 HA ARG 3 14.216 -12.057 0.625 22 1HB ARG 3 2HB ARG 3 14.739 -11.756 -1.567 23 2HB ARG 3 1HB ARG 3 13.533 -13.020 -1.722 24 1HG ARG 3 2HG ARG 3 11.872 -11.076 -2.095 25 2HG ARG 3 1HG ARG 3 13.321 -10.115 -2.394 26 1HD ARG 3 2HD ARG 3 13.080 -12.737 -3.770 27 2HD ARG 3 1HD ARG 3 12.066 -11.417 -4.340 28 HE ARG 3 HE ARG 3 14.777 -10.603 -4.056 29 1HH1 ARG 3 1HH1 ARG 3 12.602 -12.359 -6.142 30 2HH1 ARG 3 2HH1 ARG 3 13.541 -12.078 -7.570 31 1HH2 ARG 3 1HH2 ARG 3 16.018 -10.231 -5.928 32 2HH2 ARG 3 2HH2 ARG 3 15.484 -10.867 -7.449 33 H GLY 4 H GLY 4 11.000 -10.820 0.234 34 1HA GLY 4 2HA GLY 4 10.358 -8.860 1.457 35 2HA GLY 4 1HA GLY 4 11.981 -8.231 1.216 36 H ILE 5 H ILE 5 8.831 -8.678 -0.191 37 HA ILE 5 HA ILE 5 9.628 -6.893 -2.400 38 HB ILE 5 HB ILE 5 7.284 -8.779 -2.511 39 1HG1 ILE 5 2HG1 ILE 5 9.098 -10.277 -2.219 40 2HG1 ILE 5 1HG1 ILE 5 8.844 -10.203 -3.960 41 1HG2 ILE 5 1HG2 ILE 5 8.015 -6.681 -4.113 42 2HG2 ILE 5 2HG2 ILE 5 6.972 -8.022 -4.589 43 3HG2 ILE 5 3HG2 ILE 5 8.694 -8.069 -4.963 44 1HD1 ILE 5 1HD1 ILE 5 11.052 -9.913 -4.033 45 2HD1 ILE 5 2HD1 ILE 5 11.140 -9.398 -2.347 46 3HD1 ILE 5 3HD1 ILE 5 10.684 -8.244 -3.602 47 H VAL 6 H VAL 6 8.909 -4.909 -2.032 48 HA VAL 6 HA VAL 6 6.237 -4.573 -0.829 49 HB VAL 6 HB VAL 6 7.896 -3.635 0.646 50 1HG1 VAL 6 1HG1 VAL 6 9.400 -3.183 -1.579 51 2HG1 VAL 6 2HG1 VAL 6 9.743 -2.529 0.020 52 3HG1 VAL 6 3HG1 VAL 6 8.875 -1.554 -1.166 53 1HG2 VAL 6 1HG2 VAL 6 5.731 -2.281 -0.241 54 2HG2 VAL 6 2HG2 VAL 6 7.006 -1.107 -0.568 55 3HG2 VAL 6 3HG2 VAL 6 6.776 -1.725 1.068 56 H TRP 7 H TRP 7 4.750 -3.939 -2.244 57 HA TRP 7 HA TRP 7 5.653 -2.400 -4.580 58 1HB TRP 7 2HB TRP 7 3.427 -4.369 -4.199 59 2HB TRP 7 1HB TRP 7 3.300 -3.143 -5.464 60 HD1 TRP 7 HD1 TRP 7 6.832 -4.134 -5.001 61 HE1 TRP 7 1HE TRP 7 7.585 -5.733 -6.864 62 HE3 TRP 7 3HE TRP 7 2.252 -5.313 -6.965 63 HZ2 TRP 7 2HZ TRP 7 6.404 -7.304 -8.879 64 HZ3 TRP 7 3HZ TRP 7 2.159 -6.882 -8.859 65 HH2 TRP 7 HH2 TRP 7 4.198 -7.868 -9.795 66 H VAL 8 H VAL 8 4.905 -0.422 -4.969 67 HA VAL 8 HA VAL 8 2.881 0.646 -3.109 68 HB VAL 8 HB VAL 8 4.905 2.441 -4.351 69 1HG1 VAL 8 1HG1 VAL 8 4.641 3.531 -2.075 70 2HG1 VAL 8 2HG1 VAL 8 3.311 2.408 -1.823 71 3HG1 VAL 8 3HG1 VAL 8 3.245 3.563 -3.151 72 1HG2 VAL 8 1HG2 VAL 8 6.680 1.582 -3.338 73 2HG2 VAL 8 2HG2 VAL 8 5.698 0.225 -2.785 74 3HG2 VAL 8 3HG2 VAL 8 5.859 1.660 -1.778 75 H VAL 9 H VAL 9 1.443 2.187 -3.859 76 HA VAL 9 HA VAL 9 1.422 2.635 -6.763 77 HB VAL 9 HB VAL 9 -1.259 2.717 -5.676 78 1HG1 VAL 9 1HG1 VAL 9 -1.656 1.176 -7.593 79 2HG1 VAL 9 2HG1 VAL 9 0.081 1.115 -7.847 80 3HG1 VAL 9 3HG1 VAL 9 -0.776 2.638 -8.041 81 1HG2 VAL 9 1HG2 VAL 9 -1.380 0.137 -5.546 82 2HG2 VAL 9 2HG2 VAL 9 -0.800 1.029 -4.140 83 3HG2 VAL 9 3HG2 VAL 9 0.351 0.232 -5.216 84 H ASP 10 H ASP 10 1.812 4.695 -7.089 85 HA ASP 10 HA ASP 10 0.211 6.747 -5.873 86 1HB ASP 10 2HB ASP 10 2.284 6.095 -4.324 87 2HB ASP 10 1HB ASP 10 3.129 7.170 -5.433 88 H ASP 11 H ASP 11 1.923 8.923 -6.440 89 HA ASP 11 HA ASP 11 1.470 9.216 -9.203 90 1HB ASP 11 2HB ASP 11 3.175 10.862 -7.325 91 2HB ASP 11 1HB ASP 11 2.712 11.351 -8.953 92 H ASP 12 H ASP 12 3.837 7.417 -7.743 93 HA ASP 12 HA ASP 12 5.704 6.391 -8.542 94 1HB ASP 12 2HB ASP 12 4.207 6.733 -10.762 95 2HB ASP 12 1HB ASP 12 5.605 7.709 -11.200 96 H SER 13 H SER 13 7.537 7.530 -10.543 97 HA SER 13 HA SER 13 9.552 8.582 -10.279 98 1HB SER 13 2HB SER 13 9.299 10.876 -10.904 99 2HB SER 13 1HB SER 13 8.007 9.934 -11.659 100 HG SER 13 HG SER 13 6.600 10.669 -10.043 101 H SER 14 H SER 14 8.128 11.262 -8.619 102 HA SER 14 HA SER 14 10.081 11.463 -6.682 103 1HB SER 14 2HB SER 14 7.975 13.006 -7.400 104 2HB SER 14 1HB SER 14 7.396 12.390 -5.854 105 HG SER 14 HG SER 14 9.901 13.102 -5.476 106 H ILE 15 H ILE 15 6.820 10.037 -6.268 107 HA ILE 15 HA ILE 15 7.242 9.249 -3.601 108 HB ILE 15 HB ILE 15 5.372 7.869 -5.514 109 1HG1 ILE 15 2HG1 ILE 15 5.060 10.330 -5.629 110 2HG1 ILE 15 1HG1 ILE 15 3.677 9.511 -4.914 111 1HG2 ILE 15 1HG2 ILE 15 4.204 7.150 -3.642 112 2HG2 ILE 15 2HG2 ILE 15 4.913 8.383 -2.603 113 3HG2 ILE 15 3HG2 ILE 15 5.886 7.012 -3.135 114 1HD1 ILE 15 1HD1 ILE 15 5.393 11.549 -3.807 115 2HD1 ILE 15 2HD1 ILE 15 5.276 10.142 -2.748 116 3HD1 ILE 15 3HD1 ILE 15 3.813 10.981 -3.264 117 H ARG 16 H ARG 16 8.024 7.766 -6.634 118 HA ARG 16 HA ARG 16 8.550 5.142 -5.626 119 1HB ARG 16 2HB ARG 16 8.034 5.743 -8.024 120 2HB ARG 16 1HB ARG 16 9.661 6.398 -8.135 121 1HG ARG 16 2HG ARG 16 10.572 4.182 -7.589 122 2HG ARG 16 1HG ARG 16 8.933 3.535 -7.545 123 1HD ARG 16 2HD ARG 16 9.688 3.010 -9.691 124 2HD ARG 16 1HD ARG 16 8.710 4.460 -9.923 125 HE ARG 16 HE ARG 16 11.341 5.267 -9.496 126 1HH1 ARG 16 1HH1 ARG 16 9.497 3.512 -11.884 127 2HH1 ARG 16 2HH1 ARG 16 10.537 3.961 -13.194 128 1HH2 ARG 16 1HH2 ARG 16 12.703 5.860 -11.199 129 2HH2 ARG 16 2HH2 ARG 16 12.364 5.305 -12.806 130 H TRP 17 H TRP 17 10.535 7.984 -6.339 131 HA TRP 17 HA TRP 17 13.043 6.803 -5.865 132 1HB TRP 17 2HB TRP 17 12.735 8.927 -7.081 133 2HB TRP 17 1HB TRP 17 12.240 9.705 -5.581 134 HD1 TRP 17 HD1 TRP 17 15.282 8.745 -7.572 135 HE1 TRP 17 1HE TRP 17 17.404 9.535 -6.351 136 HE3 TRP 17 3HE TRP 17 13.210 10.056 -3.079 137 HZ2 TRP 17 2HZ TRP 17 18.111 10.569 -3.824 138 HZ3 TRP 17 3HZ TRP 17 14.681 10.933 -1.315 139 HH2 TRP 17 HH2 TRP 17 17.081 11.185 -1.681 140 H VAL 18 H VAL 18 11.077 8.889 -3.749 141 HA VAL 18 HA VAL 18 12.801 8.792 -1.563 142 HB VAL 18 HB VAL 18 9.858 8.982 -1.095 143 1HG1 VAL 18 1HG1 VAL 18 10.995 9.267 0.884 144 2HG1 VAL 18 2HG1 VAL 18 10.835 10.933 0.334 145 3HG1 VAL 18 3HG1 VAL 18 12.360 10.074 0.111 146 1HG2 VAL 18 1HG2 VAL 18 10.698 11.583 -1.634 147 2HG2 VAL 18 2HG2 VAL 18 9.604 10.602 -2.606 148 3HG2 VAL 18 3HG2 VAL 18 11.329 10.624 -2.973 149 H LEU 19 H LEU 19 10.077 6.724 -2.351 150 HA LEU 19 HA LEU 19 10.363 5.207 0.050 151 1HB LEU 19 2HB LEU 19 8.212 5.713 -1.291 152 2HB LEU 19 1HB LEU 19 8.694 4.340 -2.268 153 HG LEU 19 HG LEU 19 8.566 2.871 -0.342 154 1HD1 LEU 19 1HD1 LEU 19 7.995 3.588 1.832 155 2HD1 LEU 19 2HD1 LEU 19 7.595 5.212 1.271 156 3HD1 LEU 19 3HD1 LEU 19 9.272 4.674 1.290 157 1HD2 LEU 19 1HD2 LEU 19 6.088 4.567 -0.339 158 2HD2 LEU 19 2HD2 LEU 19 6.225 2.827 -0.088 159 3HD2 LEU 19 3HD2 LEU 19 6.518 3.512 -1.688 160 H GLU 20 H GLU 20 11.494 4.811 -3.228 161 HA GLU 20 HA GLU 20 11.880 2.032 -3.044 162 1HB GLU 20 2HB GLU 20 13.259 2.202 -5.023 163 2HB GLU 20 1HB GLU 20 11.805 3.165 -5.195 164 1HG GLU 20 2HG GLU 20 13.193 5.161 -4.588 165 2HG GLU 20 1HG GLU 20 14.607 4.114 -4.714 166 H ARG 21 H ARG 21 14.413 4.569 -2.921 167 HA ARG 21 HA ARG 21 16.435 2.915 -2.158 168 1HB ARG 21 2HB ARG 21 16.061 5.807 -1.468 169 2HB ARG 21 1HB ARG 21 17.569 4.916 -1.249 170 1HG ARG 21 2HG ARG 21 17.988 5.725 -3.317 171 2HG ARG 21 1HG ARG 21 17.046 4.300 -3.782 172 1HD ARG 21 2HD ARG 21 15.041 5.653 -3.694 173 2HD ARG 21 1HD ARG 21 16.026 7.091 -3.464 174 HE ARG 21 HE ARG 21 15.456 5.820 -5.912 175 1HH1 ARG 21 1HH1 ARG 21 18.098 7.361 -4.232 176 2HH1 ARG 21 2HH1 ARG 21 18.910 7.822 -5.690 177 1HH2 ARG 21 1HH2 ARG 21 16.488 6.446 -7.811 178 2HH2 ARG 21 2HH2 ARG 21 17.984 7.316 -7.730 179 H ALA 22 H ALA 22 14.290 4.781 -0.037 180 HA ALA 22 HA ALA 22 15.394 4.127 2.401 181 1HB ALA 22 1HB ALA 22 12.955 5.290 1.480 182 2HB ALA 22 2HB ALA 22 13.766 5.492 3.034 183 3HB ALA 22 3HB ALA 22 12.614 4.178 2.807 184 H LEU 23 H LEU 23 12.631 2.482 0.926 185 HA LEU 23 HA LEU 23 12.670 0.365 2.788 186 1HB LEU 23 2HB LEU 23 11.144 1.079 0.449 187 2HB LEU 23 1HB LEU 23 11.523 -0.633 0.431 188 HG LEU 23 HG LEU 23 10.104 0.850 2.645 189 1HD1 LEU 23 1HD1 LEU 23 9.104 -0.077 0.248 190 2HD1 LEU 23 2HD1 LEU 23 8.174 0.257 1.711 191 3HD1 LEU 23 3HD1 LEU 23 8.743 -1.381 1.382 192 1HD2 LEU 23 1HD2 LEU 23 11.682 -1.208 3.143 193 2HD2 LEU 23 2HD2 LEU 23 10.295 -2.117 2.538 194 3HD2 LEU 23 3HD2 LEU 23 10.108 -1.042 3.925 195 H ALA 24 H ALA 24 14.412 1.006 -0.127 196 HA ALA 24 HA ALA 24 15.279 -1.629 -0.672 197 1HB ALA 24 1HB ALA 24 15.509 0.140 -2.339 198 2HB ALA 24 2HB ALA 24 17.081 -0.567 -1.971 199 3HB ALA 24 3HB ALA 24 16.640 1.000 -1.294 200 H GLY 25 H GLY 25 16.359 0.925 1.484 201 1HA GLY 25 2HA GLY 25 18.828 -0.266 2.220 202 2HA GLY 25 1HA GLY 25 17.940 0.930 3.157 203 H ALA 26 H ALA 26 15.531 -0.860 3.112 204 HA ALA 26 HA ALA 26 16.126 -2.276 5.517 205 1HB ALA 26 1HB ALA 26 14.002 -1.566 5.725 206 2HB ALA 26 2HB ALA 26 13.630 -3.092 4.925 207 3HB ALA 26 3HB ALA 26 13.703 -1.601 3.986 208 H GLY 27 H GLY 27 16.283 -3.033 2.202 209 1HA GLY 27 2HA GLY 27 17.336 -5.036 1.472 210 2HA GLY 27 1HA GLY 27 16.728 -5.842 2.904 211 H LEU 28 H LEU 28 14.574 -3.880 0.933 212 HA LEU 28 HA LEU 28 13.436 -6.362 -0.119 213 1HB LEU 28 2HB LEU 28 11.573 -4.135 0.360 214 2HB LEU 28 1HB LEU 28 11.335 -5.860 0.552 215 HG LEU 28 HG LEU 28 12.964 -5.486 2.613 216 1HD1 LEU 28 1HD1 LEU 28 13.484 -3.317 2.751 217 2HD1 LEU 28 2HD1 LEU 28 11.923 -3.213 3.564 218 3HD1 LEU 28 3HD1 LEU 28 12.056 -2.805 1.851 219 1HD2 LEU 28 1HD2 LEU 28 11.131 -5.788 3.931 220 2HD2 LEU 28 2HD2 LEU 28 10.418 -6.162 2.362 221 3HD2 LEU 28 3HD2 LEU 28 10.184 -4.569 3.079 222 H THR 29 H THR 29 11.766 -5.878 -1.880 223 HA THR 29 HA THR 29 13.037 -4.081 -3.813 224 HB THR 29 HB THR 29 11.148 -6.417 -4.125 225 HG1 THR 29 1HG THR 29 13.858 -5.936 -4.684 226 1HG2 THR 29 1HG2 THR 29 12.056 -5.800 -6.646 227 2HG2 THR 29 2HG2 THR 29 11.602 -4.235 -5.970 228 3HG2 THR 29 3HG2 THR 29 10.424 -5.547 -6.026 229 H CYS 30 H CYS 30 12.206 -2.087 -3.682 230 HA CYS 30 HA CYS 30 9.331 -1.762 -3.255 231 1HB CYS 30 2HB CYS 30 11.039 -0.550 -1.823 232 2HB CYS 30 1HB CYS 30 11.402 0.414 -3.249 233 HG CYS 30 HG CYS 30 8.586 0.827 -2.986 234 H THR 31 H THR 31 8.146 -1.665 -5.019 235 HA THR 31 HA THR 31 9.138 -0.060 -7.281 236 HB THR 31 HB THR 31 8.853 -2.624 -7.649 237 HG1 THR 31 1HG THR 31 8.882 -0.813 -9.278 238 1HG2 THR 31 1HG2 THR 31 5.996 -1.878 -8.086 239 2HG2 THR 31 2HG2 THR 31 6.544 -2.593 -6.572 240 3HG2 THR 31 3HG2 THR 31 6.739 -3.479 -8.090 241 H THR 32 H THR 32 7.438 1.105 -8.452 242 HA THR 32 HA THR 32 5.026 1.499 -6.850 243 HB THR 32 HB THR 32 5.172 3.901 -7.184 244 HG1 THR 32 1HG THR 32 6.296 4.342 -8.936 245 1HG2 THR 32 1HG2 THR 32 6.733 4.346 -5.568 246 2HG2 THR 32 2HG2 THR 32 7.878 3.164 -6.206 247 3HG2 THR 32 3HG2 THR 32 6.460 2.620 -5.320 248 H PHE 33 H PHE 33 3.263 2.571 -7.983 249 HA PHE 33 HA PHE 33 3.283 2.043 -10.869 250 1HB PHE 33 2HB PHE 33 1.079 1.338 -8.947 251 2HB PHE 33 1HB PHE 33 0.998 1.169 -10.688 252 HD1 PHE 33 1HD PHE 33 1.371 -0.946 -11.531 253 HD2 PHE 33 2HD PHE 33 3.236 0.171 -7.888 254 HE1 PHE 33 1HE PHE 33 2.350 -3.191 -11.355 255 HE2 PHE 33 2HE PHE 33 4.231 -2.061 -7.699 256 HZ PHE 33 HZ PHE 33 3.779 -3.760 -9.440 257 H GLU 34 H GLU 34 1.185 2.979 -11.883 258 HA GLU 34 HA GLU 34 1.348 5.754 -11.764 259 1HB GLU 34 2HB GLU 34 -0.697 5.721 -13.182 260 2HB GLU 34 1HB GLU 34 0.564 4.628 -13.739 261 1HG GLU 34 2HG GLU 34 -1.130 3.163 -13.889 262 2HG GLU 34 1HG GLU 34 -0.842 2.961 -12.165 263 H ASN 35 H ASN 35 -1.347 3.713 -10.502 264 HA ASN 35 HA ASN 35 -1.875 5.768 -8.551 265 1HB ASN 35 2HB ASN 35 -3.248 5.901 -10.894 266 2HB ASN 35 1HB ASN 35 -4.334 4.935 -9.905 267 1HD2 ASN 35 1HD2 ASN 35 -2.520 7.949 -9.977 268 2HD2 ASN 35 2HD2 ASN 35 -3.611 8.835 -8.974 269 H GLY 36 H GLY 36 -3.782 3.092 -9.818 270 1HA GLY 36 2HA GLY 36 -3.362 1.597 -7.356 271 2HA GLY 36 1HA GLY 36 -4.990 2.176 -7.638 272 H ASN 37 H ASN 37 -5.173 1.765 -10.413 273 HA ASN 37 HA ASN 37 -5.854 -0.979 -10.438 274 1HB ASN 37 2HB ASN 37 -6.165 1.297 -12.215 275 2HB ASN 37 1HB ASN 37 -5.838 -0.193 -13.093 276 1HD2 ASN 37 1HD2 ASN 37 -7.549 0.188 -10.032 277 2HD2 ASN 37 2HD2 ASN 37 -9.065 -0.416 -10.597 278 H GLU 38 H GLU 38 -3.065 0.792 -11.511 279 HA GLU 38 HA GLU 38 -1.908 -0.970 -13.287 280 1HB GLU 38 2HB GLU 38 -1.161 1.344 -12.349 281 2HB GLU 38 1HB GLU 38 -0.233 0.374 -11.227 282 1HG GLU 38 2HG GLU 38 1.355 0.514 -12.795 283 2HG GLU 38 1HG GLU 38 0.448 -0.784 -13.570 284 H VAL 39 H VAL 39 -1.194 -0.898 -9.735 285 HA VAL 39 HA VAL 39 0.353 -3.229 -9.766 286 HB VAL 39 HB VAL 39 -1.366 -2.899 -7.372 287 1HG1 VAL 39 1HG1 VAL 39 0.462 -4.522 -7.460 288 2HG1 VAL 39 2HG1 VAL 39 0.761 -3.286 -6.235 289 3HG1 VAL 39 3HG1 VAL 39 1.603 -3.218 -7.785 290 1HG2 VAL 39 1HG2 VAL 39 -1.096 -0.686 -7.286 291 2HG2 VAL 39 2HG2 VAL 39 0.150 -0.691 -8.535 292 3HG2 VAL 39 3HG2 VAL 39 0.576 -1.052 -6.862 293 H LEU 40 H LEU 40 -3.147 -2.843 -9.420 294 HA LEU 40 HA LEU 40 -3.857 -5.463 -8.840 295 1HB LEU 40 2HB LEU 40 -5.455 -3.828 -10.780 296 2HB LEU 40 1HB LEU 40 -6.028 -4.928 -9.538 297 HG LEU 40 HG LEU 40 -4.946 -2.140 -9.168 298 1HD1 LEU 40 1HD1 LEU 40 -7.302 -2.377 -7.796 299 2HD1 LEU 40 2HD1 LEU 40 -7.594 -3.350 -9.240 300 3HD1 LEU 40 3HD1 LEU 40 -7.113 -1.661 -9.394 301 1HD2 LEU 40 1HD2 LEU 40 -4.641 -2.432 -6.954 302 2HD2 LEU 40 2HD2 LEU 40 -4.351 -4.107 -7.430 303 3HD2 LEU 40 3HD2 LEU 40 -5.939 -3.620 -6.826 304 H ALA 41 H ALA 41 -3.159 -3.930 -11.927 305 HA ALA 41 HA ALA 41 -3.775 -6.120 -13.588 306 1HB ALA 41 1HB ALA 41 -1.710 -4.022 -14.184 307 2HB ALA 41 2HB ALA 41 -3.443 -3.711 -14.283 308 3HB ALA 41 3HB ALA 41 -2.704 -4.926 -15.326 309 H ALA 42 H ALA 42 -0.742 -4.993 -12.212 310 HA ALA 42 HA ALA 42 0.832 -7.111 -13.265 311 1HB ALA 42 1HB ALA 42 1.702 -5.614 -10.834 312 2HB ALA 42 2HB ALA 42 1.529 -4.742 -12.357 313 3HB ALA 42 3HB ALA 42 2.630 -6.112 -12.248 314 H LEU 43 H LEU 43 -1.103 -6.700 -10.427 315 HA LEU 43 HA LEU 43 0.053 -8.752 -8.858 316 1HB LEU 43 2HB LEU 43 -2.454 -7.156 -8.797 317 2HB LEU 43 1HB LEU 43 -2.374 -8.612 -7.819 318 HG LEU 43 HG LEU 43 -0.063 -6.799 -7.571 319 1HD1 LEU 43 1HD1 LEU 43 -2.789 -5.845 -7.204 320 2HD1 LEU 43 2HD1 LEU 43 -1.278 -4.952 -7.288 321 3HD1 LEU 43 3HD1 LEU 43 -1.784 -5.675 -5.766 322 1HD2 LEU 43 1HD2 LEU 43 -1.796 -8.416 -5.724 323 2HD2 LEU 43 2HD2 LEU 43 -0.513 -7.350 -5.151 324 3HD2 LEU 43 3HD2 LEU 43 -0.124 -8.716 -6.199 325 H ALA 44 H ALA 44 -2.140 -8.768 -11.506 326 HA ALA 44 HA ALA 44 -3.603 -11.083 -11.062 327 1HB ALA 44 1HB ALA 44 -3.107 -9.347 -13.241 328 2HB ALA 44 2HB ALA 44 -4.400 -10.534 -13.059 329 3HB ALA 44 3HB ALA 44 -2.875 -11.001 -13.813 330 H SER 45 H SER 45 -0.256 -10.700 -11.701 331 HA SER 45 HA SER 45 0.047 -13.593 -11.810 332 1HB SER 45 2HB SER 45 0.936 -11.610 -13.752 333 2HB SER 45 1HB SER 45 2.248 -12.644 -13.188 334 HG SER 45 HG SER 45 0.984 -13.424 -15.041 335 H LYS 46 H LYS 46 0.605 -10.955 -9.966 336 HA LYS 46 HA LYS 46 2.933 -12.209 -8.757 337 1HB LYS 46 2HB LYS 46 3.498 -10.135 -10.198 338 2HB LYS 46 1HB LYS 46 2.764 -9.229 -8.883 339 1HG LYS 46 2HG LYS 46 4.966 -9.192 -8.263 340 2HG LYS 46 1HG LYS 46 4.403 -10.613 -7.400 341 1HD LYS 46 2HD LYS 46 5.275 -12.058 -9.068 342 2HD LYS 46 1HD LYS 46 5.663 -10.687 -10.117 343 1HE LYS 46 2HE LYS 46 7.680 -10.581 -9.187 344 2HE LYS 46 1HE LYS 46 6.926 -10.217 -7.635 345 1HZ LYS 46 1HZ LYS 46 7.536 -12.923 -8.696 346 2HZ LYS 46 2HZ LYS 46 6.743 -12.612 -7.236 347 3HZ LYS 46 3HZ LYS 46 8.351 -12.132 -7.440 348 H THR 47 H THR 47 3.349 -11.508 -6.578 349 HA THR 47 HA THR 47 1.091 -10.335 -5.185 350 HB THR 47 HB THR 47 2.369 -12.931 -4.323 351 HG1 THR 47 1HG THR 47 -0.106 -12.333 -5.540 352 1HG2 THR 47 1HG2 THR 47 1.600 -11.543 -2.432 353 2HG2 THR 47 2HG2 THR 47 0.689 -13.043 -2.610 354 3HG2 THR 47 3HG2 THR 47 -0.012 -11.517 -3.146 355 HA PRO 48 HA PRO 48 4.776 -8.471 -3.388 356 1HB PRO 48 2HB PRO 48 3.595 -6.238 -2.473 357 2HB PRO 48 1HB PRO 48 3.962 -6.459 -4.187 358 1HG PRO 48 2HG PRO 48 1.359 -6.710 -2.757 359 2HG PRO 48 1HG PRO 48 1.698 -6.080 -4.378 360 1HD PRO 48 2HD PRO 48 0.736 -8.626 -3.815 361 2HD PRO 48 1HD PRO 48 1.525 -8.139 -5.324 362 H ASP 49 H ASP 49 5.511 -8.172 -1.258 363 HA ASP 49 HA ASP 49 4.108 -9.718 0.690 364 1HB ASP 49 2HB ASP 49 6.623 -8.051 0.898 365 2HB ASP 49 1HB ASP 49 6.009 -9.083 2.184 366 H VAL 50 H VAL 50 4.483 -6.293 0.037 367 HA VAL 50 HA VAL 50 2.420 -5.729 2.007 368 HB VAL 50 HB VAL 50 4.490 -5.538 3.285 369 1HG1 VAL 50 1HG1 VAL 50 5.663 -4.768 1.012 370 2HG1 VAL 50 2HG1 VAL 50 6.340 -4.433 2.611 371 3HG1 VAL 50 3HG1 VAL 50 5.423 -3.185 1.763 372 1HG2 VAL 50 1HG2 VAL 50 4.129 -3.349 4.197 373 2HG2 VAL 50 2HG2 VAL 50 2.573 -4.030 3.720 374 3HG2 VAL 50 3HG2 VAL 50 3.349 -2.809 2.706 375 H LEU 51 H LEU 51 0.986 -4.852 0.600 376 HA LEU 51 HA LEU 51 1.876 -3.024 -1.457 377 1HB LEU 51 2HB LEU 51 0.070 -4.864 -1.643 378 2HB LEU 51 1HB LEU 51 -0.992 -3.689 -0.897 379 HG LEU 51 HG LEU 51 -0.727 -2.179 -2.761 380 1HD1 LEU 51 1HD1 LEU 51 0.834 -4.006 -4.438 381 2HD1 LEU 51 2HD1 LEU 51 1.731 -3.292 -3.104 382 3HD1 LEU 51 3HD1 LEU 51 0.926 -2.248 -4.277 383 1HD2 LEU 51 1HD2 LEU 51 -1.603 -4.960 -3.164 384 2HD2 LEU 51 2HD2 LEU 51 -1.267 -4.071 -4.649 385 3HD2 LEU 51 3HD2 LEU 51 -2.442 -3.445 -3.495 386 H LEU 52 H LEU 52 1.732 -0.888 -1.488 387 HA LEU 52 HA LEU 52 0.343 0.465 0.740 388 1HB LEU 52 2HB LEU 52 3.024 0.605 -0.077 389 2HB LEU 52 1HB LEU 52 2.293 2.089 -0.648 390 HG LEU 52 HG LEU 52 2.139 1.185 2.224 391 1HD1 LEU 52 1HD1 LEU 52 3.900 3.000 2.526 392 2HD1 LEU 52 2HD1 LEU 52 4.179 2.867 0.787 393 3HD1 LEU 52 3HD1 LEU 52 4.446 1.471 1.833 394 1HD2 LEU 52 1HD2 LEU 52 0.540 2.793 2.109 395 2HD2 LEU 52 2HD2 LEU 52 1.244 3.548 0.679 396 3HD2 LEU 52 3HD2 LEU 52 1.942 3.851 2.270 397 H SER 53 H SER 53 -1.312 1.799 0.179 398 HA SER 53 HA SER 53 -1.573 2.525 -2.662 399 1HB SER 53 2HB SER 53 -3.444 1.490 -0.725 400 2HB SER 53 1HB SER 53 -4.027 3.016 -1.386 401 HG SER 53 HG SER 53 -3.201 0.740 -2.869 402 H ASP 54 H ASP 54 -1.747 4.619 -3.284 403 HA ASP 54 HA ASP 54 -0.972 6.644 -1.403 404 1HB ASP 54 2HB ASP 54 -0.884 8.121 -3.336 405 2HB ASP 54 1HB ASP 54 -0.092 6.590 -3.691 406 H ILE 55 H ILE 55 -3.993 5.606 -2.690 407 HA ILE 55 HA ILE 55 -6.109 6.482 -2.651 408 HB ILE 55 HB ILE 55 -5.982 5.840 -0.366 409 1HG1 ILE 55 2HG1 ILE 55 -6.960 8.484 0.346 410 2HG1 ILE 55 1HG1 ILE 55 -7.599 7.949 -1.204 411 1HG2 ILE 55 1HG2 ILE 55 -3.908 6.755 0.334 412 2HG2 ILE 55 2HG2 ILE 55 -5.166 7.405 1.390 413 3HG2 ILE 55 3HG2 ILE 55 -4.491 8.406 0.107 414 1HD1 ILE 55 1HD1 ILE 55 -7.679 6.204 1.232 415 2HD1 ILE 55 2HD1 ILE 55 -8.623 6.068 -0.252 416 3HD1 ILE 55 3HD1 ILE 55 -8.940 7.385 0.877 417 H ARG 56 H ARG 56 -5.938 8.013 -4.352 418 HA ARG 56 HA ARG 56 -6.236 10.749 -3.423 419 1HB ARG 56 2HB ARG 56 -4.656 11.684 -5.028 420 2HB ARG 56 1HB ARG 56 -3.846 10.605 -3.902 421 1HG ARG 56 2HG ARG 56 -3.773 8.862 -5.584 422 2HG ARG 56 1HG ARG 56 -4.654 9.891 -6.714 423 1HD ARG 56 2HD ARG 56 -2.562 11.492 -5.954 424 2HD ARG 56 1HD ARG 56 -1.825 9.895 -5.979 425 HE ARG 56 HE ARG 56 -2.154 9.791 -8.278 426 1HH1 ARG 56 1HH1 ARG 56 -3.575 12.695 -6.957 427 2HH1 ARG 56 2HH1 ARG 56 -3.768 13.451 -8.501 428 1HH2 ARG 56 1HH2 ARG 56 -2.430 10.789 -10.316 429 2HH2 ARG 56 2HH2 ARG 56 -3.130 12.371 -10.401 430 H MET 57 H MET 57 -8.355 9.482 -4.174 431 HA MET 57 HA MET 57 -10.153 9.530 -5.548 432 1HB MET 57 2HB MET 57 -9.453 11.978 -5.585 433 2HB MET 57 1HB MET 57 -8.751 11.644 -7.165 434 1HG MET 57 2HG MET 57 -11.028 10.786 -7.847 435 2HG MET 57 1HG MET 57 -11.633 11.485 -6.346 436 1HE MET 57 1HE MET 57 -12.635 11.909 -9.138 437 2HE MET 57 2HE MET 57 -11.284 12.404 -10.158 438 3HE MET 57 3HE MET 57 -12.529 13.573 -9.715 439 HA PRO 58 HA PRO 58 -7.826 7.289 -8.985 440 1HB PRO 58 2HB PRO 58 -7.954 4.747 -8.030 441 2HB PRO 58 1HB PRO 58 -6.598 5.827 -7.712 442 1HG PRO 58 2HG PRO 58 -8.815 5.007 -5.931 443 2HG PRO 58 1HG PRO 58 -7.151 5.450 -5.529 444 1HD PRO 58 2HD PRO 58 -9.400 7.078 -5.250 445 2HD PRO 58 1HD PRO 58 -7.713 7.616 -5.215 446 H GLY 59 H GLY 59 -10.004 5.066 -7.287 447 1HA GLY 59 2HA GLY 59 -11.905 5.302 -9.534 448 2HA GLY 59 1HA GLY 59 -11.556 3.784 -8.715 449 H MET 60 H MET 60 -11.448 5.385 -6.126 450 HA MET 60 HA MET 60 -14.105 6.344 -5.703 451 1HB MET 60 2HB MET 60 -14.301 3.784 -5.665 452 2HB MET 60 1HB MET 60 -13.386 3.856 -4.164 453 1HG MET 60 2HG MET 60 -15.104 4.734 -2.985 454 2HG MET 60 1HG MET 60 -15.763 5.602 -4.373 455 1HE MET 60 1HE MET 60 -17.380 4.491 -2.321 456 2HE MET 60 2HE MET 60 -17.112 2.773 -2.016 457 3HE MET 60 3HE MET 60 -18.538 3.299 -2.913 458 H ASP 61 H ASP 61 -12.353 7.975 -5.254 459 HA ASP 61 HA ASP 61 -11.437 9.407 -3.747 460 1HB ASP 61 2HB ASP 61 -13.260 7.835 -2.208 461 2HB ASP 61 1HB ASP 61 -11.825 8.151 -1.241 462 H GLY 62 H GLY 62 -10.661 6.047 -3.616 463 1HA GLY 62 2HA GLY 62 -8.106 5.845 -3.808 464 2HA GLY 62 1HA GLY 62 -8.142 6.615 -2.234 465 H LEU 63 H LEU 63 -10.626 5.269 -1.495 466 HA LEU 63 HA LEU 63 -9.457 2.949 -0.376 467 1HB LEU 63 2HB LEU 63 -12.367 3.723 -0.410 468 2HB LEU 63 1HB LEU 63 -11.616 2.547 0.654 469 HG LEU 63 HG LEU 63 -10.133 4.682 1.291 470 1HD1 LEU 63 1HD1 LEU 63 -10.949 6.652 0.701 471 2HD1 LEU 63 2HD1 LEU 63 -12.552 6.228 1.309 472 3HD1 LEU 63 3HD1 LEU 63 -12.096 5.809 -0.344 473 1HD2 LEU 63 1HD2 LEU 63 -12.211 3.207 2.457 474 2HD2 LEU 63 2HD2 LEU 63 -12.586 4.905 2.752 475 3HD2 LEU 63 3HD2 LEU 63 -11.035 4.244 3.264 476 H ALA 64 H ALA 64 -11.178 3.629 -3.267 477 HA ALA 64 HA ALA 64 -12.400 1.211 -3.870 478 1HB ALA 64 1HB ALA 64 -11.701 3.586 -5.253 479 2HB ALA 64 2HB ALA 64 -12.882 2.359 -5.709 480 3HB ALA 64 3HB ALA 64 -11.208 2.215 -6.249 481 H LEU 65 H LEU 65 -9.015 2.109 -4.008 482 HA LEU 65 HA LEU 65 -8.015 0.026 -5.561 483 1HB LEU 65 2HB LEU 65 -6.942 1.892 -3.552 484 2HB LEU 65 1HB LEU 65 -6.021 0.411 -3.743 485 HG LEU 65 HG LEU 65 -5.711 0.864 -6.108 486 1HD1 LEU 65 1HD1 LEU 65 -6.700 3.594 -6.101 487 2HD1 LEU 65 2HD1 LEU 65 -7.984 2.408 -5.881 488 3HD1 LEU 65 3HD1 LEU 65 -6.928 2.312 -7.290 489 1HD2 LEU 65 1HD2 LEU 65 -4.569 3.208 -5.792 490 2HD2 LEU 65 2HD2 LEU 65 -3.935 1.774 -4.982 491 3HD2 LEU 65 3HD2 LEU 65 -4.944 2.917 -4.093 492 H LEU 66 H LEU 66 -8.484 0.201 -2.060 493 HA LEU 66 HA LEU 66 -7.504 -2.297 -1.363 494 1HB LEU 66 2HB LEU 66 -9.777 -0.766 -0.121 495 2HB LEU 66 1HB LEU 66 -8.906 -2.081 0.649 496 HG LEU 66 HG LEU 66 -6.837 -0.447 0.080 497 1HD1 LEU 66 1HD1 LEU 66 -9.279 1.214 0.092 498 2HD1 LEU 66 2HD1 LEU 66 -7.765 1.425 -0.792 499 3HD1 LEU 66 3HD1 LEU 66 -7.854 1.839 0.920 500 1HD2 LEU 66 1HD2 LEU 66 -7.889 0.549 2.506 501 2HD2 LEU 66 2HD2 LEU 66 -6.657 -0.694 2.279 502 3HD2 LEU 66 3HD2 LEU 66 -8.354 -1.144 2.387 503 H LYS 67 H LYS 67 -10.699 -1.350 -2.482 504 HA LYS 67 HA LYS 67 -12.094 -3.712 -2.071 505 1HB LYS 67 2HB LYS 67 -12.550 -1.291 -3.392 506 2HB LYS 67 1HB LYS 67 -12.771 -2.524 -4.628 507 1HG LYS 67 2HG LYS 67 -14.148 -3.589 -2.532 508 2HG LYS 67 1HG LYS 67 -14.420 -1.862 -2.301 509 1HD LYS 67 2HD LYS 67 -14.729 -2.462 -5.071 510 2HD LYS 67 1HD LYS 67 -15.678 -3.621 -4.137 511 1HE LYS 67 2HE LYS 67 -16.877 -1.877 -3.044 512 2HE LYS 67 1HE LYS 67 -15.796 -0.645 -3.694 513 1HZ LYS 67 1HZ LYS 67 -17.809 -0.630 -4.943 514 2HZ LYS 67 2HZ LYS 67 -17.737 -2.299 -5.214 515 3HZ LYS 67 3HZ LYS 67 -16.599 -1.274 -5.936 516 H GLN 68 H GLN 68 -10.151 -2.767 -4.902 517 HA GLN 68 HA GLN 68 -10.562 -5.224 -6.274 518 1HB GLN 68 2HB GLN 68 -8.380 -3.171 -6.634 519 2HB GLN 68 1HB GLN 68 -8.739 -4.477 -7.752 520 1HG GLN 68 2HG GLN 68 -10.660 -2.280 -7.034 521 2HG GLN 68 1HG GLN 68 -9.604 -2.268 -8.448 522 1HE2 GLN 68 1HE2 GLN 68 -10.675 -2.742 -10.212 523 2HE2 GLN 68 2HE2 GLN 68 -11.942 -3.908 -10.365 524 H ILE 69 H ILE 69 -8.254 -4.071 -3.938 525 HA ILE 69 HA ILE 69 -6.227 -5.954 -4.332 526 HB ILE 69 HB ILE 69 -7.017 -4.418 -1.863 527 1HG1 ILE 69 2HG1 ILE 69 -4.536 -3.980 -3.481 528 2HG1 ILE 69 1HG1 ILE 69 -6.067 -3.337 -4.069 529 1HG2 ILE 69 1HG2 ILE 69 -5.213 -6.637 -2.083 530 2HG2 ILE 69 2HG2 ILE 69 -5.647 -5.691 -0.660 531 3HG2 ILE 69 3HG2 ILE 69 -4.311 -5.173 -1.690 532 1HD1 ILE 69 1HD1 ILE 69 -5.970 -1.639 -2.640 533 2HD1 ILE 69 2HD1 ILE 69 -4.306 -2.128 -2.318 534 3HD1 ILE 69 3HD1 ILE 69 -5.610 -2.702 -1.281 535 H LYS 70 H LYS 70 -9.088 -6.048 -2.327 536 HA LYS 70 HA LYS 70 -8.447 -8.531 -1.102 537 1HB LYS 70 2HB LYS 70 -10.688 -8.434 -0.174 538 2HB LYS 70 1HB LYS 70 -9.915 -6.859 -0.046 539 1HG LYS 70 2HG LYS 70 -11.107 -6.214 -2.145 540 2HG LYS 70 1HG LYS 70 -12.022 -7.711 -2.008 541 1HD LYS 70 2HD LYS 70 -12.412 -6.769 0.451 542 2HD LYS 70 1HD LYS 70 -12.150 -5.236 -0.383 543 1HE LYS 70 2HE LYS 70 -13.869 -6.021 -2.069 544 2HE LYS 70 1HE LYS 70 -14.247 -7.321 -0.941 545 1HZ LYS 70 1HZ LYS 70 -15.529 -5.939 0.192 546 2HZ LYS 70 2HZ LYS 70 -15.220 -4.714 -0.932 547 3HZ LYS 70 3HZ LYS 70 -14.241 -4.869 0.440 548 H GLN 71 H GLN 71 -10.145 -7.571 -3.967 549 HA GLN 71 HA GLN 71 -11.314 -10.162 -4.367 550 1HB GLN 71 2HB GLN 71 -11.390 -7.577 -5.861 551 2HB GLN 71 1HB GLN 71 -11.946 -9.058 -6.632 552 1HG GLN 71 2HG GLN 71 -13.722 -9.308 -5.168 553 2HG GLN 71 1HG GLN 71 -12.994 -8.261 -3.953 554 1HE2 GLN 71 1HE2 GLN 71 -12.547 -5.968 -4.907 555 2HE2 GLN 71 2HE2 GLN 71 -13.895 -5.252 -5.713 556 H ARG 72 H ARG 72 -8.673 -8.317 -5.736 557 HA ARG 72 HA ARG 72 -8.085 -10.473 -7.608 558 1HB ARG 72 2HB ARG 72 -7.241 -7.629 -7.346 559 2HB ARG 72 1HB ARG 72 -6.173 -8.738 -8.192 560 1HG ARG 72 2HG ARG 72 -8.357 -9.362 -9.499 561 2HG ARG 72 1HG ARG 72 -8.889 -7.774 -8.939 562 1HD ARG 72 2HD ARG 72 -6.651 -6.921 -9.852 563 2HD ARG 72 1HD ARG 72 -6.560 -8.460 -10.703 564 HE ARG 72 HE ARG 72 -8.576 -6.365 -11.139 565 1HH1 ARG 72 1HH1 ARG 72 -7.003 -9.314 -12.165 566 2HH1 ARG 72 2HH1 ARG 72 -7.724 -9.295 -13.735 567 1HH2 ARG 72 1HH2 ARG 72 -9.531 -6.355 -13.206 568 2HH2 ARG 72 2HH2 ARG 72 -9.156 -7.620 -14.329 569 H HIS 73 H HIS 73 -6.869 -9.117 -4.659 570 HA HIS 73 HA HIS 73 -4.497 -10.841 -4.851 571 1HB HIS 73 2HB HIS 73 -4.755 -8.817 -2.674 572 2HB HIS 73 1HB HIS 73 -3.317 -9.386 -3.510 573 HD1 HIS 73 1HD HIS 73 -3.551 -6.433 -3.167 574 HD2 HIS 73 2HD HIS 73 -5.171 -8.390 -6.432 575 HE1 HIS 73 1HE HIS 73 -3.758 -4.695 -4.966 576 HE2 HIS 73 2HE HIS 73 -4.986 -5.857 -6.824 577 HA PRO 74 HA PRO 74 -6.327 -13.616 -1.910 578 1HB PRO 74 2HB PRO 74 -3.561 -14.353 -1.189 579 2HB PRO 74 1HB PRO 74 -4.853 -15.353 -1.855 580 1HG PRO 74 2HG PRO 74 -2.738 -14.619 -3.330 581 2HG PRO 74 1HG PRO 74 -4.358 -14.780 -4.033 582 1HD PRO 74 2HD PRO 74 -2.870 -12.307 -3.242 583 2HD PRO 74 1HD PRO 74 -3.904 -12.601 -4.656 584 H MET 75 H MET 75 -6.932 -11.702 -0.585 585 HA MET 75 HA MET 75 -6.963 -10.483 1.331 586 1HB MET 75 2HB MET 75 -6.957 -11.762 3.254 587 2HB MET 75 1HB MET 75 -7.170 -12.987 2.020 588 1HG MET 75 2HG MET 75 -4.446 -12.881 2.291 589 2HG MET 75 1HG MET 75 -5.013 -12.593 3.930 590 1HE MET 75 1HE MET 75 -4.236 -15.219 1.264 591 2HE MET 75 2HE MET 75 -4.233 -16.571 2.395 592 3HE MET 75 3HE MET 75 -3.275 -15.133 2.740 593 H LEU 76 H LEU 76 -4.906 -9.781 -0.279 594 HA LEU 76 HA LEU 76 -2.370 -9.711 0.959 595 1HB LEU 76 2HB LEU 76 -3.075 -9.311 -1.504 596 2HB LEU 76 1HB LEU 76 -3.335 -7.654 -0.996 597 HG LEU 76 HG LEU 76 -0.876 -7.846 -0.107 598 1HD1 LEU 76 1HD1 LEU 76 -0.376 -9.592 -2.408 599 2HD1 LEU 76 2HD1 LEU 76 -1.119 -10.387 -1.020 600 3HD1 LEU 76 3HD1 LEU 76 0.412 -9.533 -0.830 601 1HD2 LEU 76 1HD2 LEU 76 -0.703 -6.319 -1.701 602 2HD2 LEU 76 2HD2 LEU 76 -2.071 -7.008 -2.569 603 3HD2 LEU 76 3HD2 LEU 76 -0.444 -7.608 -2.873 604 HA PRO 77 HA PRO 77 -3.034 -6.508 3.989 605 1HB PRO 77 2HB PRO 77 -0.442 -5.780 4.383 606 2HB PRO 77 1HB PRO 77 -1.134 -7.265 5.045 607 1HG PRO 77 2HG PRO 77 0.518 -6.885 2.573 608 2HG PRO 77 1HG PRO 77 0.651 -8.138 3.823 609 1HD PRO 77 2HD PRO 77 -0.565 -8.611 1.475 610 2HD PRO 77 1HD PRO 77 -1.136 -9.345 2.985 611 H VAL 78 H VAL 78 -3.740 -4.508 3.574 612 HA VAL 78 HA VAL 78 -2.365 -2.930 1.503 613 HB VAL 78 HB VAL 78 -5.141 -2.354 2.491 614 1HG1 VAL 78 1HG1 VAL 78 -3.512 -1.604 0.086 615 2HG1 VAL 78 2HG1 VAL 78 -4.243 -0.549 1.297 616 3HG1 VAL 78 3HG1 VAL 78 -5.262 -1.401 0.138 617 1HG2 VAL 78 1HG2 VAL 78 -6.020 -3.613 0.581 618 2HG2 VAL 78 2HG2 VAL 78 -5.152 -4.664 1.703 619 3HG2 VAL 78 3HG2 VAL 78 -4.388 -4.161 0.197 620 H ILE 79 H ILE 79 -1.806 -0.837 1.870 621 HA ILE 79 HA ILE 79 -2.275 0.258 4.552 622 HB ILE 79 HB ILE 79 0.375 0.422 3.117 623 1HG1 ILE 79 2HG1 ILE 79 0.533 -0.974 5.603 624 2HG1 ILE 79 1HG1 ILE 79 -0.728 -1.725 4.633 625 1HG2 ILE 79 1HG2 ILE 79 1.080 1.798 4.751 626 2HG2 ILE 79 2HG2 ILE 79 0.171 0.943 5.997 627 3HG2 ILE 79 3HG2 ILE 79 -0.642 2.121 4.966 628 1HD1 ILE 79 1HD1 ILE 79 2.068 -1.210 3.663 629 2HD1 ILE 79 2HD1 ILE 79 0.809 -2.143 2.853 630 3HD1 ILE 79 3HD1 ILE 79 1.508 -2.729 4.361 631 H ILE 80 H ILE 80 -3.408 2.045 4.257 632 HA ILE 80 HA ILE 80 -2.980 3.626 1.827 633 HB ILE 80 HB ILE 80 -5.221 3.956 3.812 634 1HG1 ILE 80 2HG1 ILE 80 -5.113 1.622 2.897 635 2HG1 ILE 80 1HG1 ILE 80 -6.570 2.494 2.439 636 1HG2 ILE 80 1HG2 ILE 80 -5.636 4.536 0.978 637 2HG2 ILE 80 2HG2 ILE 80 -4.418 5.545 1.759 638 3HG2 ILE 80 3HG2 ILE 80 -6.053 5.477 2.406 639 1HD1 ILE 80 1HD1 ILE 80 -6.073 2.431 0.263 640 2HD1 ILE 80 2HD1 ILE 80 -5.013 1.103 0.733 641 3HD1 ILE 80 3HD1 ILE 80 -4.359 2.728 0.543 642 H MET 81 H MET 81 -2.437 5.786 1.864 643 HA MET 81 HA MET 81 -1.072 6.690 4.240 644 1HB MET 81 2HB MET 81 -0.335 8.567 2.825 645 2HB MET 81 1HB MET 81 -0.013 7.000 2.095 646 1HG MET 81 2HG MET 81 -1.701 7.256 0.508 647 2HG MET 81 1HG MET 81 -2.468 8.565 1.399 648 1HE MET 81 1HE MET 81 -1.148 10.861 1.883 649 2HE MET 81 2HE MET 81 0.188 11.451 0.891 650 3HE MET 81 3HE MET 81 0.470 10.192 2.092 651 H THR 82 H THR 82 -4.165 7.271 2.812 652 HA THR 82 HA THR 82 -4.768 9.150 4.950 653 HB THR 82 HB THR 82 -5.554 9.899 2.150 654 HG1 THR 82 1HG THR 82 -3.458 10.158 1.914 655 1HG2 THR 82 1HG2 THR 82 -5.493 11.301 4.787 656 2HG2 THR 82 2HG2 THR 82 -6.812 11.167 3.620 657 3HG2 THR 82 3HG2 THR 82 -5.427 12.208 3.275 658 H ALA 83 H ALA 83 -7.084 9.497 5.257 659 HA ALA 83 HA ALA 83 -8.791 7.518 3.922 660 1HB ALA 83 1HB ALA 83 -7.768 7.004 6.380 661 2HB ALA 83 2HB ALA 83 -9.288 6.348 5.770 662 3HB ALA 83 3HB ALA 83 -9.294 7.781 6.800 663 H HIS 84 H HIS 84 -9.283 9.804 2.944 664 HA HIS 84 HA HIS 84 -11.117 11.315 4.663 665 1HB HIS 84 2HB HIS 84 -11.025 13.019 2.846 666 2HB HIS 84 1HB HIS 84 -9.450 12.659 3.554 667 HD1 HIS 84 1HD HIS 84 -11.346 12.542 0.386 668 HD2 HIS 84 2HD HIS 84 -7.708 11.162 1.846 669 HE1 HIS 84 1HE HIS 84 -10.026 11.851 -1.633 670 HE2 HIS 84 2HE HIS 84 -7.786 11.138 -0.740 671 H SER 85 H SER 85 -13.225 10.969 4.538 672 HA SER 85 HA SER 85 -15.275 10.307 3.821 673 1HB SER 85 2HB SER 85 -14.155 11.962 1.778 674 2HB SER 85 1HB SER 85 -15.109 10.695 1.007 675 HG SER 85 HG SER 85 -15.993 12.875 2.181 676 H ASP 86 H ASP 86 -16.503 8.813 2.367 677 HA ASP 86 HA ASP 86 -16.860 6.672 1.679 678 1HB ASP 86 2HB ASP 86 -15.267 7.857 -0.166 679 2HB ASP 86 1HB ASP 86 -14.269 6.473 0.271 680 H LEU 87 H LEU 87 -15.303 7.119 4.155 681 HA LEU 87 HA LEU 87 -13.204 5.348 4.501 682 1HB LEU 87 2HB LEU 87 -14.626 7.056 6.099 683 2HB LEU 87 1HB LEU 87 -15.054 5.494 6.769 684 HG LEU 87 HG LEU 87 -13.183 6.363 7.991 685 1HD1 LEU 87 1HD1 LEU 87 -11.837 4.380 6.231 686 2HD1 LEU 87 2HD1 LEU 87 -13.277 3.891 7.128 687 3HD1 LEU 87 3HD1 LEU 87 -11.862 4.498 7.992 688 1HD2 LEU 87 1HD2 LEU 87 -11.235 7.216 7.076 689 2HD2 LEU 87 2HD2 LEU 87 -12.471 7.810 5.966 690 3HD2 LEU 87 3HD2 LEU 87 -11.490 6.411 5.527 691 H ASP 88 H ASP 88 -16.560 4.707 4.120 692 HA ASP 88 HA ASP 88 -16.955 2.310 5.401 693 1HB ASP 88 2HB ASP 88 -18.067 3.523 2.912 694 2HB ASP 88 1HB ASP 88 -18.452 1.842 3.269 695 H ALA 89 H ALA 89 -15.272 2.868 2.350 696 HA ALA 89 HA ALA 89 -15.089 0.137 1.625 697 1HB ALA 89 1HB ALA 89 -13.660 2.612 0.738 698 2HB ALA 89 2HB ALA 89 -14.818 1.620 -0.147 699 3HB ALA 89 3HB ALA 89 -13.184 1.019 0.145 700 H ALA 90 H ALA 90 -13.327 2.118 3.819 701 HA ALA 90 HA ALA 90 -10.917 0.592 3.880 702 1HB ALA 90 1HB ALA 90 -12.033 2.430 5.994 703 2HB ALA 90 2HB ALA 90 -11.028 2.933 4.636 704 3HB ALA 90 3HB ALA 90 -10.365 1.862 5.872 705 H VAL 91 H VAL 91 -13.999 0.395 5.518 706 HA VAL 91 HA VAL 91 -13.179 -1.289 7.624 707 HB VAL 91 HB VAL 91 -15.946 -1.296 6.460 708 1HG1 VAL 91 1HG1 VAL 91 -16.215 -1.379 9.141 709 2HG1 VAL 91 2HG1 VAL 91 -14.656 -2.189 8.956 710 3HG1 VAL 91 3HG1 VAL 91 -16.082 -2.815 8.125 711 1HG2 VAL 91 1HG2 VAL 91 -15.872 0.523 8.588 712 2HG2 VAL 91 2HG2 VAL 91 -16.124 0.885 6.882 713 3HG2 VAL 91 3HG2 VAL 91 -14.499 0.938 7.563 714 H SER 92 H SER 92 -14.616 -2.010 4.451 715 HA SER 92 HA SER 92 -14.795 -4.789 4.751 716 1HB SER 92 2HB SER 92 -14.083 -3.519 2.115 717 2HB SER 92 1HB SER 92 -15.134 -4.899 2.426 718 HG SER 92 HG SER 92 -16.749 -3.587 2.687 719 H ALA 93 H ALA 93 -12.152 -2.710 3.784 720 HA ALA 93 HA ALA 93 -10.332 -4.594 2.875 721 1HB ALA 93 1HB ALA 93 -9.953 -2.259 2.549 722 2HB ALA 93 2HB ALA 93 -8.613 -2.914 3.486 723 3HB ALA 93 3HB ALA 93 -9.877 -1.984 4.289 724 H TYR 94 H TYR 94 -10.982 -3.483 6.140 725 HA TYR 94 HA TYR 94 -8.886 -4.809 7.440 726 1HB TYR 94 2HB TYR 94 -11.645 -4.349 8.584 727 2HB TYR 94 1HB TYR 94 -10.143 -4.546 9.479 728 HD1 TYR 94 1HD TYR 94 -12.359 -2.226 9.257 729 HD2 TYR 94 2HD TYR 94 -8.371 -2.752 7.868 730 HE1 TYR 94 1HE TYR 94 -12.046 0.215 9.244 731 HE2 TYR 94 2HE TYR 94 -8.048 -0.315 7.848 732 HH TYR 94 HH TYR 94 -8.960 1.674 8.246 733 H GLN 95 H GLN 95 -11.774 -5.971 6.011 734 HA GLN 95 HA GLN 95 -11.927 -8.421 7.478 735 1HB GLN 95 2HB GLN 95 -13.901 -8.690 6.436 736 2HB GLN 95 1HB GLN 95 -13.665 -7.048 5.864 737 1HG GLN 95 2HG GLN 95 -12.344 -8.498 3.962 738 2HG GLN 95 1HG GLN 95 -13.662 -9.577 4.397 739 1HE2 GLN 95 1HE2 GLN 95 -12.894 -7.668 2.091 740 2HE2 GLN 95 2HE2 GLN 95 -14.382 -6.862 1.743 741 H GLN 96 H GLN 96 -10.540 -7.423 4.393 742 HA GLN 96 HA GLN 96 -9.702 -10.078 3.711 743 1HB GLN 96 2HB GLN 96 -8.615 -9.062 1.794 744 2HB GLN 96 1HB GLN 96 -10.244 -8.420 1.974 745 1HG GLN 96 2HG GLN 96 -9.522 -6.332 2.399 746 2HG GLN 96 1HG GLN 96 -8.116 -6.886 3.306 747 1HE2 GLN 96 1HE2 GLN 96 -8.604 -4.932 1.019 748 2HE2 GLN 96 2HE2 GLN 96 -7.398 -5.350 -0.143 749 H GLY 97 H GLY 97 -8.508 -7.730 5.817 750 1HA GLY 97 2HA GLY 97 -6.652 -8.361 7.238 751 2HA GLY 97 1HA GLY 97 -5.900 -9.099 5.834 752 H ALA 98 H ALA 98 -7.416 -5.925 5.777 753 HA ALA 98 HA ALA 98 -5.187 -4.693 4.602 754 1HB ALA 98 1HB ALA 98 -7.714 -3.708 5.818 755 2HB ALA 98 2HB ALA 98 -7.095 -3.515 4.179 756 3HB ALA 98 3HB ALA 98 -6.426 -2.549 5.491 757 H PHE 99 H PHE 99 -3.586 -3.317 5.435 758 HA PHE 99 HA PHE 99 -2.705 -3.982 8.047 759 1HB PHE 99 2HB PHE 99 -1.303 -3.295 5.964 760 2HB PHE 99 1HB PHE 99 -1.594 -1.651 6.528 761 HD1 PHE 99 1HD PHE 99 -0.412 -4.951 7.775 762 HD2 PHE 99 2HD PHE 99 -0.129 -0.713 8.042 763 HE1 PHE 99 1HE PHE 99 1.439 -5.181 9.378 764 HE2 PHE 99 2HE PHE 99 1.728 -0.935 9.644 765 HZ PHE 99 HZ PHE 99 2.515 -3.172 10.313 766 H ASP 100 H ASP 100 -3.801 -0.876 6.644 767 HA ASP 100 HA ASP 100 -5.443 -0.040 8.664 768 1HB ASP 100 2HB ASP 100 -3.989 1.456 10.043 769 2HB ASP 100 1HB ASP 100 -3.623 -0.247 10.264 770 H TYR 101 H TYR 101 -4.885 2.605 9.038 771 HA TYR 101 HA TYR 101 -4.538 3.730 6.352 772 1HB TYR 101 2HB TYR 101 -6.932 3.839 8.093 773 2HB TYR 101 1HB TYR 101 -6.452 5.373 7.374 774 HD1 TYR 101 1HD TYR 101 -7.507 1.904 6.607 775 HD2 TYR 101 2HD TYR 101 -6.808 5.827 5.097 776 HE1 TYR 101 1HE TYR 101 -8.657 1.307 4.511 777 HE2 TYR 101 2HE TYR 101 -7.946 5.237 3.003 778 HH TYR 101 HH TYR 101 -8.687 3.442 1.744 779 H LEU 102 H LEU 102 -3.865 5.930 6.339 780 HA LEU 102 HA LEU 102 -2.552 6.733 8.839 781 1HB LEU 102 2HB LEU 102 -1.733 6.698 6.091 782 2HB LEU 102 1HB LEU 102 -1.674 8.342 6.694 783 HG LEU 102 HG LEU 102 -0.145 7.724 8.443 784 1HD1 LEU 102 1HD1 LEU 102 0.763 5.282 8.250 785 2HD1 LEU 102 2HD1 LEU 102 -0.846 4.957 7.605 786 3HD1 LEU 102 3HD1 LEU 102 -0.664 5.636 9.224 787 1HD2 LEU 102 1HD2 LEU 102 1.669 6.608 6.936 788 2HD2 LEU 102 2HD2 LEU 102 1.090 8.236 6.581 789 3HD2 LEU 102 3HD2 LEU 102 0.477 6.862 5.660 790 HA PRO 103 HA PRO 103 -5.733 9.900 8.989 791 1HB PRO 103 2HB PRO 103 -4.220 10.956 11.268 792 2HB PRO 103 1HB PRO 103 -5.861 10.310 11.216 793 1HG PRO 103 2HG PRO 103 -3.820 8.998 12.405 794 2HG PRO 103 1HG PRO 103 -5.169 8.157 11.620 795 1HD PRO 103 2HD PRO 103 -2.391 8.637 10.621 796 2HD PRO 103 1HD PRO 103 -3.423 7.201 10.451 797 H LYS 104 H LYS 104 -2.625 11.166 10.162 798 HA LYS 104 HA LYS 104 -2.780 13.242 8.085 799 1HB LYS 104 2HB LYS 104 -2.353 13.462 11.004 800 2HB LYS 104 1HB LYS 104 -1.357 14.502 9.992 801 1HG LYS 104 2HG LYS 104 -3.068 15.847 9.496 802 2HG LYS 104 1HG LYS 104 -4.159 14.493 9.205 803 1HD LYS 104 2HD LYS 104 -4.636 14.287 11.540 804 2HD LYS 104 1HD LYS 104 -3.376 15.448 11.956 805 1HE LYS 104 2HE LYS 104 -4.684 17.221 11.492 806 2HE LYS 104 1HE LYS 104 -5.398 16.450 10.077 807 1HZ LYS 104 1HZ LYS 104 -6.708 15.068 11.709 808 2HZ LYS 104 2HZ LYS 104 -7.125 16.705 11.628 809 3HZ LYS 104 3HZ LYS 104 -6.188 16.136 12.915 810 HA PRO 105 HA PRO 105 2.011 12.622 9.041 811 1HB PRO 105 2HB PRO 105 2.397 10.067 10.140 812 2HB PRO 105 1HB PRO 105 2.588 11.605 10.983 813 1HG PRO 105 2HG PRO 105 0.266 9.736 10.952 814 2HG PRO 105 1HG PRO 105 0.899 10.724 12.284 815 1HD PRO 105 2HD PRO 105 -1.314 11.446 10.994 816 2HD PRO 105 1HD PRO 105 -0.124 12.664 11.493 817 H PHE 106 H PHE 106 3.469 11.378 7.734 818 HA PHE 106 HA PHE 106 2.691 9.017 6.396 819 1HB PHE 106 2HB PHE 106 1.149 10.517 5.223 820 2HB PHE 106 1HB PHE 106 2.481 11.577 4.784 821 HD1 PHE 106 1HD PHE 106 3.134 11.433 2.600 822 HD2 PHE 106 2HD PHE 106 1.713 7.922 4.539 823 HE1 PHE 106 1HE PHE 106 3.467 10.156 0.525 824 HE2 PHE 106 2HE PHE 106 2.048 6.639 2.471 825 HZ PHE 106 HZ PHE 106 2.924 7.755 0.460 826 H ASP 107 H ASP 107 4.301 11.253 4.306 827 HA ASP 107 HA ASP 107 6.416 11.143 3.440 828 1HB ASP 107 2HB ASP 107 8.133 11.835 5.013 829 2HB ASP 107 1HB ASP 107 6.639 12.703 5.350 830 H ILE 108 H ILE 108 8.713 10.083 3.778 831 HA ILE 108 HA ILE 108 8.295 7.292 3.620 832 HB ILE 108 HB ILE 108 10.447 9.088 3.071 833 1HG1 ILE 108 2HG1 ILE 108 11.040 7.381 1.468 834 2HG1 ILE 108 1HG1 ILE 108 10.055 6.199 2.317 835 1HG2 ILE 108 1HG2 ILE 108 11.178 6.598 4.586 836 2HG2 ILE 108 2HG2 ILE 108 11.632 8.259 4.964 837 3HG2 ILE 108 3HG2 ILE 108 12.304 7.459 3.539 838 1HD1 ILE 108 1HD1 ILE 108 8.919 8.683 1.070 839 2HD1 ILE 108 2HD1 ILE 108 8.051 7.267 1.665 840 3HD1 ILE 108 3HD1 ILE 108 9.059 7.143 0.222 841 H ASP 109 H ASP 109 9.645 9.355 6.079 842 HA ASP 109 HA ASP 109 10.703 7.520 7.828 843 1HB ASP 109 2HB ASP 109 9.779 10.254 7.981 844 2HB ASP 109 1HB ASP 109 9.439 9.393 9.478 845 H GLU 110 H GLU 110 7.343 8.762 8.004 846 HA GLU 110 HA GLU 110 6.616 6.754 9.891 847 1HB GLU 110 2HB GLU 110 4.821 8.636 8.364 848 2HB GLU 110 1HB GLU 110 4.370 7.689 9.771 849 1HG GLU 110 2HG GLU 110 6.518 9.791 9.782 850 2HG GLU 110 1HG GLU 110 4.837 10.091 10.223 851 H ALA 111 H ALA 111 6.324 7.128 6.432 852 HA ALA 111 HA ALA 111 4.406 5.078 6.046 853 1HB ALA 111 1HB ALA 111 6.480 5.896 4.023 854 2HB ALA 111 2HB ALA 111 5.037 6.857 4.366 855 3HB ALA 111 3HB ALA 111 4.876 5.218 3.732 856 H VAL 112 H VAL 112 7.924 5.088 5.488 857 HA VAL 112 HA VAL 112 8.165 2.326 5.069 858 HB VAL 112 HB VAL 112 10.266 4.201 6.163 859 1HG1 VAL 112 1HG1 VAL 112 11.200 2.062 4.466 860 2HG1 VAL 112 2HG1 VAL 112 10.313 1.430 5.854 861 3HG1 VAL 112 3HG1 VAL 112 11.697 2.496 6.103 862 1HG2 VAL 112 1HG2 VAL 112 9.986 5.228 4.176 863 2HG2 VAL 112 2HG2 VAL 112 9.105 3.868 3.485 864 3HG2 VAL 112 3HG2 VAL 112 10.867 3.843 3.535 865 H ALA 113 H ALA 113 8.094 4.263 7.946 866 HA ALA 113 HA ALA 113 9.061 2.379 9.799 867 1HB ALA 113 1HB ALA 113 7.016 4.554 10.197 868 2HB ALA 113 2HB ALA 113 8.765 4.752 10.331 869 3HB ALA 113 3HB ALA 113 7.904 3.726 11.477 870 H LEU 114 H LEU 114 5.845 3.142 8.616 871 HA LEU 114 HA LEU 114 4.523 1.168 10.168 872 1HB LEU 114 2HB LEU 114 3.377 3.180 9.506 873 2HB LEU 114 1HB LEU 114 3.647 2.821 7.813 874 HG LEU 114 HG LEU 114 2.249 0.641 8.440 875 1HD1 LEU 114 1HD1 LEU 114 1.619 0.797 10.605 876 2HD1 LEU 114 2HD1 LEU 114 0.330 1.785 9.916 877 3HD1 LEU 114 3HD1 LEU 114 1.749 2.557 10.631 878 1HD2 LEU 114 1HD2 LEU 114 0.251 1.824 7.644 879 2HD2 LEU 114 2HD2 LEU 114 1.682 2.214 6.685 880 3HD2 LEU 114 3HD2 LEU 114 1.081 3.362 7.883 881 H VAL 115 H VAL 115 6.107 1.162 7.099 882 HA VAL 115 HA VAL 115 4.754 -1.183 6.132 883 HB VAL 115 HB VAL 115 5.839 0.631 4.656 884 1HG1 VAL 115 1HG1 VAL 115 8.088 0.352 5.831 885 2HG1 VAL 115 2HG1 VAL 115 8.101 0.435 4.073 886 3HG1 VAL 115 3HG1 VAL 115 8.268 -1.124 4.885 887 1HG2 VAL 115 1HG2 VAL 115 6.342 -1.047 2.897 888 2HG2 VAL 115 2HG2 VAL 115 4.813 -1.338 3.731 889 3HG2 VAL 115 3HG2 VAL 115 6.233 -2.312 4.123 890 H GLU 116 H GLU 116 7.908 -0.493 7.566 891 HA GLU 116 HA GLU 116 9.021 -3.042 7.287 892 1HB GLU 116 2HB GLU 116 9.506 -0.900 9.360 893 2HB GLU 116 1HB GLU 116 10.480 -2.359 9.222 894 1HG GLU 116 2HG GLU 116 10.868 -1.641 6.795 895 2HG GLU 116 1HG GLU 116 10.249 -0.072 7.302 896 H ARG 117 H ARG 117 7.292 -1.646 10.093 897 HA ARG 117 HA ARG 117 7.409 -3.914 11.707 898 1HB ARG 117 2HB ARG 117 5.577 -2.963 12.977 899 2HB ARG 117 1HB ARG 117 6.710 -1.698 12.525 900 1HG ARG 117 2HG ARG 117 5.248 -0.871 10.848 901 2HG ARG 117 1HG ARG 117 4.181 -2.267 11.004 902 1HD ARG 117 2HD ARG 117 3.046 -1.289 12.645 903 2HD ARG 117 1HD ARG 117 4.521 -0.986 13.554 904 HE ARG 117 HE ARG 117 3.272 0.836 11.621 905 1HH1 ARG 117 1HH1 ARG 117 5.639 0.254 14.127 906 2HH1 ARG 117 2HH1 ARG 117 6.036 1.928 14.306 907 1HH2 ARG 117 1HH2 ARG 117 3.805 3.035 11.857 908 2HH2 ARG 117 2HH2 ARG 117 5.004 3.504 13.015 909 H ALA 118 H ALA 118 5.489 -3.272 8.929 910 HA ALA 118 HA ALA 118 3.415 -5.145 9.425 911 1HB ALA 118 1HB ALA 118 3.359 -3.231 7.765 912 2HB ALA 118 2HB ALA 118 2.733 -4.778 7.192 913 3HB ALA 118 3HB ALA 118 4.344 -4.246 6.711 914 H ILE 119 H ILE 119 6.444 -5.271 7.586 915 HA ILE 119 HA ILE 119 6.091 -7.989 6.798 916 HB ILE 119 HB ILE 119 8.633 -6.381 6.762 917 1HG1 ILE 119 2HG1 ILE 119 7.020 -6.624 4.297 918 2HG1 ILE 119 1HG1 ILE 119 6.365 -5.563 5.542 919 1HG2 ILE 119 1HG2 ILE 119 9.079 -8.680 6.356 920 2HG2 ILE 119 2HG2 ILE 119 9.141 -7.843 4.805 921 3HG2 ILE 119 3HG2 ILE 119 7.726 -8.806 5.231 922 1HD1 ILE 119 1HD1 ILE 119 8.062 -4.067 5.357 923 2HD1 ILE 119 2HD1 ILE 119 7.998 -4.671 3.698 924 3HD1 ILE 119 3HD1 ILE 119 9.223 -5.283 4.815 925 H SER 120 H SER 120 7.759 -6.308 9.343 926 HA SER 120 HA SER 120 9.379 -8.431 10.244 927 1HB SER 120 2HB SER 120 8.411 -5.862 11.443 928 2HB SER 120 1HB SER 120 9.218 -7.048 12.472 929 HG SER 120 HG SER 120 10.232 -5.526 10.361 930 H HIS 121 H HIS 121 6.188 -7.282 11.290 931 HA HIS 121 HA HIS 121 5.868 -9.273 13.291 932 1HB HIS 121 2HB HIS 121 4.126 -7.224 12.013 933 2HB HIS 121 1HB HIS 121 3.342 -8.541 12.880 934 HD1 HIS 121 1HD HIS 121 6.211 -6.140 13.619 935 HD2 HIS 121 2HD HIS 121 2.900 -7.860 15.448 936 HE1 HIS 121 1HE HIS 121 6.167 -5.197 15.951 937 HE2 HIS 121 2HE HIS 121 4.112 -6.196 17.014 938 H TYR 122 H TYR 122 5.192 -9.117 9.898 939 HA TYR 122 HA TYR 122 3.504 -11.428 9.853 940 1HB TYR 122 2HB TYR 122 3.372 -9.553 8.188 941 2HB TYR 122 1HB TYR 122 4.905 -10.110 7.526 942 HD1 TYR 122 1HD TYR 122 1.772 -11.855 8.598 943 HD2 TYR 122 2HD TYR 122 4.586 -11.139 5.488 944 HE1 TYR 122 1HE TYR 122 0.564 -13.430 7.149 945 HE2 TYR 122 2HE TYR 122 3.386 -12.712 4.030 946 HH TYR 122 HH TYR 122 0.281 -13.953 4.827 947 H GLN 123 H GLN 123 6.878 -10.713 9.108 948 HA GLN 123 HA GLN 123 7.485 -13.363 8.241 949 1HB GLN 123 2HB GLN 123 8.691 -11.072 7.748 950 2HB GLN 123 1HB GLN 123 9.588 -11.471 9.206 951 1HG GLN 123 2HG GLN 123 10.823 -12.996 8.159 952 2HG GLN 123 1HG GLN 123 9.425 -13.695 7.344 953 1HE2 GLN 123 1HE2 GLN 123 11.623 -10.926 7.248 954 2HE2 GLN 123 2HE2 GLN 123 11.597 -10.741 5.530 955 H GLU 124 H GLU 124 9.608 -14.318 9.414 956 HA GLU 124 HA GLU 124 9.101 -14.354 12.311 957 1HB GLU 124 2HB GLU 124 8.044 -16.328 11.218 958 2HB GLU 124 1HB GLU 124 9.626 -16.795 10.608 959 1HG GLU 124 2HG GLU 124 9.800 -18.028 12.446 960 2HG GLU 124 1HG GLU 124 10.089 -16.506 13.291 Start of MODEL 18 1 1H MET 1 1HT MET 1 10.988 -19.105 3.367 2 2H MET 1 2HT MET 1 9.643 -18.629 2.413 3 3H MET 1 3HT MET 1 9.448 -18.918 4.093 4 HA MET 1 HA MET 1 9.558 -16.719 4.163 5 1HB MET 1 2HB MET 1 12.226 -17.970 4.375 6 2HB MET 1 1HB MET 1 12.233 -16.218 4.216 7 1HG MET 1 2HG MET 1 10.464 -17.532 6.229 8 2HG MET 1 1HG MET 1 12.180 -17.304 6.563 9 1HE MET 1 1HE MET 1 13.263 -14.600 6.043 10 2HE MET 1 2HE MET 1 13.108 -15.405 7.604 11 3HE MET 1 3HE MET 1 12.603 -13.725 7.423 12 H GLN 2 H GLN 2 9.281 -14.995 2.908 13 HA GLN 2 HA GLN 2 10.267 -15.056 0.181 14 1HB GLN 2 2HB GLN 2 8.360 -13.257 1.669 15 2HB GLN 2 1HB GLN 2 8.916 -12.879 0.046 16 1HG GLN 2 2HG GLN 2 6.963 -13.956 -0.418 17 2HG GLN 2 1HG GLN 2 8.095 -15.305 -0.477 18 1HE2 GLN 2 1HE2 GLN 2 6.837 -16.953 0.154 19 2HE2 GLN 2 2HE2 GLN 2 6.015 -17.041 1.670 20 H ARG 3 H ARG 3 11.400 -13.256 -0.775 21 HA ARG 3 HA ARG 3 13.555 -12.350 0.830 22 1HB ARG 3 2HB ARG 3 14.152 -11.021 -1.232 23 2HB ARG 3 1HB ARG 3 14.015 -12.758 -1.458 24 1HG ARG 3 2HG ARG 3 12.278 -12.570 -2.866 25 2HG ARG 3 1HG ARG 3 11.544 -11.253 -1.947 26 1HD ARG 3 2HD ARG 3 12.516 -9.674 -3.204 27 2HD ARG 3 1HD ARG 3 14.053 -10.535 -3.269 28 HE ARG 3 HE ARG 3 12.079 -10.481 -5.279 29 1HH1 ARG 3 1HH1 ARG 3 14.281 -12.690 -3.714 30 2HH1 ARG 3 2HH1 ARG 3 14.430 -13.720 -5.098 31 1HH2 ARG 3 1HH2 ARG 3 12.273 -11.832 -7.101 32 2HH2 ARG 3 2HH2 ARG 3 13.291 -13.233 -7.022 33 H GLY 4 H GLY 4 10.437 -11.249 0.698 34 1HA GLY 4 2HA GLY 4 9.567 -9.409 1.825 35 2HA GLY 4 1HA GLY 4 11.190 -8.743 1.941 36 H ILE 5 H ILE 5 8.387 -9.131 -0.131 37 HA ILE 5 HA ILE 5 9.507 -7.178 -2.007 38 HB ILE 5 HB ILE 5 6.950 -8.738 -2.342 39 1HG1 ILE 5 2HG1 ILE 5 8.600 -9.976 -4.034 40 2HG1 ILE 5 1HG1 ILE 5 9.790 -9.494 -2.830 41 1HG2 ILE 5 1HG2 ILE 5 7.756 -6.559 -3.686 42 2HG2 ILE 5 2HG2 ILE 5 6.806 -7.853 -4.418 43 3HG2 ILE 5 3HG2 ILE 5 8.556 -7.810 -4.638 44 1HD1 ILE 5 1HD1 ILE 5 7.334 -10.795 -1.832 45 2HD1 ILE 5 2HD1 ILE 5 9.003 -10.936 -1.281 46 3HD1 ILE 5 3HD1 ILE 5 8.476 -11.799 -2.726 47 H VAL 6 H VAL 6 9.066 -5.143 -1.588 48 HA VAL 6 HA VAL 6 6.502 -4.464 -0.318 49 HB VAL 6 HB VAL 6 8.418 -3.644 0.929 50 1HG1 VAL 6 1HG1 VAL 6 9.242 -2.101 -1.521 51 2HG1 VAL 6 2HG1 VAL 6 9.976 -3.625 -1.030 52 3HG1 VAL 6 3HG1 VAL 6 10.096 -2.217 0.015 53 1HG2 VAL 6 1HG2 VAL 6 7.566 -1.581 1.335 54 2HG2 VAL 6 2HG2 VAL 6 6.277 -2.191 0.297 55 3HG2 VAL 6 3HG2 VAL 6 7.527 -1.139 -0.373 56 H TRP 7 H TRP 7 4.962 -3.655 -1.615 57 HA TRP 7 HA TRP 7 5.826 -2.325 -4.096 58 1HB TRP 7 2HB TRP 7 3.442 -4.048 -3.497 59 2HB TRP 7 1HB TRP 7 3.377 -2.864 -4.807 60 HD1 TRP 7 HD1 TRP 7 6.773 -4.352 -4.395 61 HE1 TRP 7 1HE TRP 7 7.229 -6.053 -6.265 62 HE3 TRP 7 3HE TRP 7 2.029 -4.775 -6.284 63 HZ2 TRP 7 2HZ TRP 7 5.775 -7.397 -8.271 64 HZ3 TRP 7 3HZ TRP 7 1.657 -6.298 -8.178 65 HH2 TRP 7 HH2 TRP 7 3.492 -7.583 -9.149 66 H VAL 8 H VAL 8 5.048 -0.341 -4.612 67 HA VAL 8 HA VAL 8 3.270 0.929 -2.635 68 HB VAL 8 HB VAL 8 5.187 2.703 -3.998 69 1HG1 VAL 8 1HG1 VAL 8 5.318 3.568 -1.647 70 2HG1 VAL 8 2HG1 VAL 8 4.117 2.375 -1.223 71 3HG1 VAL 8 3HG1 VAL 8 3.731 3.631 -2.394 72 1HG2 VAL 8 1HG2 VAL 8 6.756 1.943 -1.906 73 2HG2 VAL 8 2HG2 VAL 8 6.994 1.434 -3.578 74 3HG2 VAL 8 3HG2 VAL 8 6.128 0.388 -2.453 75 H VAL 9 H VAL 9 1.868 2.537 -3.389 76 HA VAL 9 HA VAL 9 1.703 2.801 -6.312 77 HB VAL 9 HB VAL 9 -0.922 3.080 -5.179 78 1HG1 VAL 9 1HG1 VAL 9 -1.384 1.229 -6.823 79 2HG1 VAL 9 2HG1 VAL 9 0.341 1.180 -7.136 80 3HG1 VAL 9 3HG1 VAL 9 -0.572 2.640 -7.495 81 1HG2 VAL 9 1HG2 VAL 9 -0.663 1.592 -3.453 82 2HG2 VAL 9 2HG2 VAL 9 0.615 0.693 -4.268 83 3HG2 VAL 9 3HG2 VAL 9 -1.064 0.478 -4.753 84 H ASP 10 H ASP 10 2.080 4.826 -6.837 85 HA ASP 10 HA ASP 10 0.642 7.032 -5.760 86 1HB ASP 10 2HB ASP 10 2.573 6.310 -4.070 87 2HB ASP 10 1HB ASP 10 3.525 7.303 -5.158 88 H ASP 11 H ASP 11 2.847 8.916 -6.246 89 HA ASP 11 HA ASP 11 2.398 9.405 -8.979 90 1HB ASP 11 2HB ASP 11 4.560 10.569 -7.222 91 2HB ASP 11 1HB ASP 11 3.958 11.253 -8.728 92 H ASP 12 H ASP 12 4.409 7.108 -7.675 93 HA ASP 12 HA ASP 12 5.972 5.743 -8.601 94 1HB ASP 12 2HB ASP 12 4.468 6.447 -10.714 95 2HB ASP 12 1HB ASP 12 6.007 7.123 -11.227 96 H SER 13 H SER 13 6.771 8.583 -10.584 97 HA SER 13 HA SER 13 9.450 8.473 -10.505 98 1HB SER 13 2HB SER 13 7.559 10.422 -11.211 99 2HB SER 13 1HB SER 13 8.746 11.241 -10.198 100 HG SER 13 HG SER 13 9.539 9.543 -12.308 101 H SER 14 H SER 14 8.018 10.937 -8.455 102 HA SER 14 HA SER 14 10.199 11.320 -6.817 103 1HB SER 14 2HB SER 14 7.929 12.622 -7.015 104 2HB SER 14 1HB SER 14 7.446 11.594 -5.666 105 HG SER 14 HG SER 14 8.346 13.458 -4.839 106 H ILE 15 H ILE 15 7.686 8.899 -6.568 107 HA ILE 15 HA ILE 15 8.403 8.079 -3.930 108 HB ILE 15 HB ILE 15 6.793 6.515 -5.928 109 1HG1 ILE 15 2HG1 ILE 15 5.914 8.799 -5.736 110 2HG1 ILE 15 1HG1 ILE 15 4.831 7.634 -5.001 111 1HG2 ILE 15 1HG2 ILE 15 7.459 5.250 -3.967 112 2HG2 ILE 15 2HG2 ILE 15 5.729 5.585 -3.913 113 3HG2 ILE 15 3HG2 ILE 15 6.838 6.521 -2.913 114 1HD1 ILE 15 1HD1 ILE 15 6.117 9.917 -3.841 115 2HD1 ILE 15 2HD1 ILE 15 6.490 8.452 -2.935 116 3HD1 ILE 15 3HD1 ILE 15 4.811 8.916 -3.205 117 H ARG 16 H ARG 16 9.336 7.197 -7.140 118 HA ARG 16 HA ARG 16 10.391 4.660 -6.681 119 1HB ARG 16 2HB ARG 16 10.090 5.751 -8.923 120 2HB ARG 16 1HB ARG 16 11.522 6.715 -8.581 121 1HG ARG 16 2HG ARG 16 12.835 4.641 -8.369 122 2HG ARG 16 1HG ARG 16 11.397 3.715 -8.798 123 1HD ARG 16 2HD ARG 16 11.481 5.483 -10.845 124 2HD ARG 16 1HD ARG 16 13.201 5.316 -10.489 125 HE ARG 16 HE ARG 16 12.171 2.753 -10.587 126 1HH1 ARG 16 1HH1 ARG 16 12.508 5.455 -12.770 127 2HH1 ARG 16 2HH1 ARG 16 12.618 4.460 -14.183 128 1HH2 ARG 16 1HH2 ARG 16 12.317 1.443 -12.445 129 2HH2 ARG 16 2HH2 ARG 16 12.509 2.183 -13.998 130 H TRP 17 H TRP 17 11.851 7.859 -6.388 131 HA TRP 17 HA TRP 17 14.405 6.882 -5.623 132 1HB TRP 17 2HB TRP 17 14.037 9.107 -6.644 133 2HB TRP 17 1HB TRP 17 13.225 9.626 -5.169 134 HD1 TRP 17 HD1 TRP 17 16.714 8.272 -6.201 135 HE1 TRP 17 1HE TRP 17 18.478 9.419 -4.721 136 HE3 TRP 17 3HE TRP 17 13.609 11.012 -3.201 137 HZ2 TRP 17 2HZ TRP 17 18.547 11.242 -2.569 138 HZ3 TRP 17 3HZ TRP 17 14.604 12.427 -1.454 139 HH2 TRP 17 HH2 TRP 17 17.023 12.539 -1.147 140 H VAL 18 H VAL 18 12.015 8.689 -3.686 141 HA VAL 18 HA VAL 18 13.303 8.362 -1.254 142 HB VAL 18 HB VAL 18 10.360 8.499 -1.087 143 1HG1 VAL 18 1HG1 VAL 18 11.802 10.662 0.117 144 2HG1 VAL 18 2HG1 VAL 18 12.586 9.131 0.509 145 3HG1 VAL 18 3HG1 VAL 18 10.880 9.370 0.883 146 1HG2 VAL 18 1HG2 VAL 18 10.936 11.114 -1.624 147 2HG2 VAL 18 2HG2 VAL 18 10.164 9.995 -2.744 148 3HG2 VAL 18 3HG2 VAL 18 11.903 10.279 -2.837 149 H LEU 19 H LEU 19 10.380 6.618 -2.201 150 HA LEU 19 HA LEU 19 10.491 4.949 0.054 151 1HB LEU 19 2HB LEU 19 8.803 5.099 -2.358 152 2HB LEU 19 1HB LEU 19 8.779 3.601 -1.443 153 HG LEU 19 HG LEU 19 8.191 6.330 -0.300 154 1HD1 LEU 19 1HD1 LEU 19 6.560 4.600 -1.825 155 2HD1 LEU 19 2HD1 LEU 19 6.127 6.113 -1.032 156 3HD1 LEU 19 3HD1 LEU 19 5.976 4.587 -0.159 157 1HD2 LEU 19 1HD2 LEU 19 7.179 4.496 1.434 158 2HD2 LEU 19 2HD2 LEU 19 8.742 5.290 1.606 159 3HD2 LEU 19 3HD2 LEU 19 8.647 3.690 0.880 160 H GLU 20 H GLU 20 11.181 4.132 -3.332 161 HA GLU 20 HA GLU 20 11.793 1.447 -2.755 162 1HB GLU 20 2HB GLU 20 13.008 2.893 -5.038 163 2HB GLU 20 1HB GLU 20 12.415 1.239 -4.981 164 1HG GLU 20 2HG GLU 20 10.123 2.382 -4.656 165 2HG GLU 20 1HG GLU 20 10.966 3.792 -5.294 166 H ARG 21 H ARG 21 13.967 4.059 -3.740 167 HA ARG 21 HA ARG 21 16.337 2.692 -3.343 168 1HB ARG 21 2HB ARG 21 15.774 5.617 -2.923 169 2HB ARG 21 1HB ARG 21 17.389 4.940 -2.862 170 1HG ARG 21 2HG ARG 21 15.908 4.196 -5.265 171 2HG ARG 21 1HG ARG 21 16.174 5.932 -5.097 172 1HD ARG 21 2HD ARG 21 18.323 5.723 -5.635 173 2HD ARG 21 1HD ARG 21 18.563 4.468 -4.426 174 HE ARG 21 HE ARG 21 17.681 4.001 -7.201 175 1HH1 ARG 21 1HH1 ARG 21 19.191 2.870 -4.253 176 2HH1 ARG 21 2HH1 ARG 21 19.705 1.375 -4.952 177 1HH2 ARG 21 1HH2 ARG 21 18.366 2.034 -8.108 178 2HH2 ARG 21 2HH2 ARG 21 19.240 0.899 -7.134 179 H ALA 22 H ALA 22 14.510 4.512 -0.924 180 HA ALA 22 HA ALA 22 16.367 4.035 1.158 181 1HB ALA 22 1HB ALA 22 14.520 5.839 0.993 182 2HB ALA 22 2HB ALA 22 14.916 5.152 2.567 183 3HB ALA 22 3HB ALA 22 13.486 4.595 1.699 184 H LEU 23 H LEU 23 13.497 2.342 0.068 185 HA LEU 23 HA LEU 23 13.524 0.513 2.276 186 1HB LEU 23 2HB LEU 23 11.825 0.973 -0.023 187 2HB LEU 23 1HB LEU 23 12.141 -0.733 0.191 188 HG LEU 23 HG LEU 23 10.946 1.119 2.257 189 1HD1 LEU 23 1HD1 LEU 23 9.372 -1.169 1.492 190 2HD1 LEU 23 2HD1 LEU 23 9.753 -0.173 0.090 191 3HD1 LEU 23 3HD1 LEU 23 8.946 0.543 1.485 192 1HD2 LEU 23 1HD2 LEU 23 10.996 -0.564 3.793 193 2HD2 LEU 23 2HD2 LEU 23 12.478 -0.943 2.914 194 3HD2 LEU 23 3HD2 LEU 23 10.992 -1.834 2.570 195 H ALA 24 H ALA 24 15.024 0.720 -0.829 196 HA ALA 24 HA ALA 24 15.710 -1.998 -1.159 197 1HB ALA 24 1HB ALA 24 17.605 0.060 -2.136 198 2HB ALA 24 2HB ALA 24 15.951 0.159 -2.736 199 3HB ALA 24 3HB ALA 24 16.890 -1.313 -2.979 200 H GLY 25 H GLY 25 17.124 0.694 0.606 201 1HA GLY 25 2HA GLY 25 19.580 -0.555 1.271 202 2HA GLY 25 1HA GLY 25 18.819 0.761 2.161 203 H ALA 26 H ALA 26 16.343 -0.877 2.473 204 HA ALA 26 HA ALA 26 17.065 -2.134 4.934 205 1HB ALA 26 1HB ALA 26 14.486 -2.833 4.621 206 2HB ALA 26 2HB ALA 26 14.556 -1.436 3.547 207 3HB ALA 26 3HB ALA 26 15.003 -1.267 5.245 208 H GLY 27 H GLY 27 16.879 -3.151 1.688 209 1HA GLY 27 2HA GLY 27 17.714 -5.252 0.997 210 2HA GLY 27 1HA GLY 27 17.273 -5.916 2.560 211 H LEU 28 H LEU 28 14.956 -4.011 0.714 212 HA LEU 28 HA LEU 28 13.582 -6.512 0.059 213 1HB LEU 28 2HB LEU 28 11.909 -4.125 0.483 214 2HB LEU 28 1HB LEU 28 11.593 -5.800 0.878 215 HG LEU 28 HG LEU 28 13.464 -5.322 2.710 216 1HD1 LEU 28 1HD1 LEU 28 12.593 -2.903 3.497 217 2HD1 LEU 28 2HD1 LEU 28 12.594 -2.700 1.742 218 3HD1 LEU 28 3HD1 LEU 28 14.073 -3.178 2.577 219 1HD2 LEU 28 1HD2 LEU 28 10.701 -5.621 2.667 220 2HD2 LEU 28 2HD2 LEU 28 10.980 -4.181 3.648 221 3HD2 LEU 28 3HD2 LEU 28 11.752 -5.708 4.081 222 H THR 29 H THR 29 11.826 -6.186 -1.605 223 HA THR 29 HA THR 29 12.955 -4.653 -3.828 224 HB THR 29 HB THR 29 10.858 -6.832 -3.752 225 HG1 THR 29 1HG THR 29 12.796 -7.778 -3.563 226 1HG2 THR 29 1HG2 THR 29 11.358 -4.910 -5.805 227 2HG2 THR 29 2HG2 THR 29 10.189 -6.233 -5.767 228 3HG2 THR 29 3HG2 THR 29 11.825 -6.518 -6.361 229 H CYS 30 H CYS 30 12.179 -2.667 -4.097 230 HA CYS 30 HA CYS 30 9.369 -2.164 -3.400 231 1HB CYS 30 2HB CYS 30 11.352 -0.930 -2.245 232 2HB CYS 30 1HB CYS 30 11.354 0.027 -3.724 233 HG CYS 30 HG CYS 30 9.649 1.354 -2.553 234 H THR 31 H THR 31 8.047 -1.958 -5.026 235 HA THR 31 HA THR 31 9.007 -0.640 -7.472 236 HB THR 31 HB THR 31 8.553 -3.174 -7.659 237 HG1 THR 31 1HG THR 31 7.322 -2.731 -9.691 238 1HG2 THR 31 1HG2 THR 31 5.767 -2.736 -8.271 239 2HG2 THR 31 2HG2 THR 31 6.113 -2.551 -6.551 240 3HG2 THR 31 3HG2 THR 31 6.550 -4.036 -7.390 241 H THR 32 H THR 32 7.668 0.914 -8.312 242 HA THR 32 HA THR 32 5.318 1.535 -6.678 243 HB THR 32 HB THR 32 5.677 3.896 -7.330 244 HG1 THR 32 1HG THR 32 8.129 2.956 -8.398 245 1HG2 THR 32 1HG2 THR 32 7.349 2.329 -5.598 246 2HG2 THR 32 2HG2 THR 32 6.752 3.979 -5.398 247 3HG2 THR 32 3HG2 THR 32 8.252 3.686 -6.275 248 H PHE 33 H PHE 33 3.574 2.691 -7.752 249 HA PHE 33 HA PHE 33 3.290 1.939 -10.571 250 1HB PHE 33 2HB PHE 33 1.235 1.548 -8.412 251 2HB PHE 33 1HB PHE 33 1.001 1.215 -10.113 252 HD1 PHE 33 1HD PHE 33 3.415 0.340 -7.399 253 HD2 PHE 33 2HD PHE 33 1.220 -0.987 -10.785 254 HE1 PHE 33 1HE PHE 33 4.300 -1.919 -7.079 255 HE2 PHE 33 2HE PHE 33 2.092 -3.250 -10.463 256 HZ PHE 33 HZ PHE 33 3.626 -3.735 -8.619 257 H GLU 34 H GLU 34 1.175 2.945 -11.475 258 HA GLU 34 HA GLU 34 1.553 5.711 -11.532 259 1HB GLU 34 2HB GLU 34 -0.496 5.767 -12.903 260 2HB GLU 34 1HB GLU 34 0.624 4.512 -13.411 261 1HG GLU 34 2HG GLU 34 -1.379 3.402 -13.490 262 2HG GLU 34 1HG GLU 34 -0.807 2.984 -11.880 263 H ASN 35 H ASN 35 -0.923 3.841 -9.732 264 HA ASN 35 HA ASN 35 -1.290 6.070 -7.995 265 1HB ASN 35 2HB ASN 35 -2.675 6.497 -10.164 266 2HB ASN 35 1HB ASN 35 -3.793 5.342 -9.445 267 1HD2 ASN 35 1HD2 ASN 35 -2.120 8.385 -8.901 268 2HD2 ASN 35 2HD2 ASN 35 -3.291 9.047 -7.820 269 H GLY 36 H GLY 36 -3.123 3.273 -9.114 270 1HA GLY 36 2HA GLY 36 -2.849 1.915 -6.611 271 2HA GLY 36 1HA GLY 36 -4.431 2.643 -6.785 272 H ASN 37 H ASN 37 -4.896 2.268 -9.481 273 HA ASN 37 HA ASN 37 -5.832 -0.384 -9.492 274 1HB ASN 37 2HB ASN 37 -6.369 1.894 -10.944 275 2HB ASN 37 1HB ASN 37 -5.623 0.837 -12.137 276 1HD2 ASN 37 1HD2 ASN 37 -7.741 0.195 -9.367 277 2HD2 ASN 37 2HD2 ASN 37 -8.966 -0.623 -10.270 278 H GLU 38 H GLU 38 -2.944 1.106 -10.705 279 HA GLU 38 HA GLU 38 -2.078 -0.762 -12.550 280 1HB GLU 38 2HB GLU 38 -1.028 1.478 -11.288 281 2HB GLU 38 1HB GLU 38 0.085 0.191 -10.886 282 1HG GLU 38 2HG GLU 38 -0.714 0.298 -13.704 283 2HG GLU 38 1HG GLU 38 0.220 1.679 -13.131 284 H VAL 39 H VAL 39 -1.350 -0.722 -9.017 285 HA VAL 39 HA VAL 39 0.201 -2.994 -8.882 286 HB VAL 39 HB VAL 39 -1.928 -2.428 -6.831 287 1HG1 VAL 39 1HG1 VAL 39 -0.719 -3.698 -5.406 288 2HG1 VAL 39 2HG1 VAL 39 0.822 -3.251 -6.136 289 3HG1 VAL 39 3HG1 VAL 39 -0.204 -4.457 -6.909 290 1HG2 VAL 39 1HG2 VAL 39 0.071 -0.638 -7.723 291 2HG2 VAL 39 2HG2 VAL 39 0.544 -1.219 -6.125 292 3HG2 VAL 39 3HG2 VAL 39 -1.034 -0.475 -6.362 293 H LEU 40 H LEU 40 -3.297 -2.779 -9.066 294 HA LEU 40 HA LEU 40 -3.891 -5.483 -8.592 295 1HB LEU 40 2HB LEU 40 -5.463 -3.724 -10.453 296 2HB LEU 40 1HB LEU 40 -6.051 -5.017 -9.424 297 HG LEU 40 HG LEU 40 -4.997 -2.363 -8.437 298 1HD1 LEU 40 1HD1 LEU 40 -7.753 -2.917 -7.859 299 2HD1 LEU 40 2HD1 LEU 40 -7.466 -2.939 -9.598 300 3HD1 LEU 40 3HD1 LEU 40 -7.033 -1.519 -8.647 301 1HD2 LEU 40 1HD2 LEU 40 -5.514 -4.882 -7.125 302 2HD2 LEU 40 2HD2 LEU 40 -6.527 -3.598 -6.471 303 3HD2 LEU 40 3HD2 LEU 40 -4.774 -3.414 -6.493 304 H ALA 41 H ALA 41 -3.165 -3.721 -11.563 305 HA ALA 41 HA ALA 41 -3.633 -5.825 -13.365 306 1HB ALA 41 1HB ALA 41 -3.424 -3.431 -13.988 307 2HB ALA 41 2HB ALA 41 -2.456 -4.514 -14.988 308 3HB ALA 41 3HB ALA 41 -1.686 -3.561 -13.716 309 H ALA 42 H ALA 42 -0.650 -4.695 -11.874 310 HA ALA 42 HA ALA 42 0.967 -6.740 -13.015 311 1HB ALA 42 1HB ALA 42 1.541 -4.368 -11.882 312 2HB ALA 42 2HB ALA 42 2.724 -5.657 -12.094 313 3HB ALA 42 3HB ALA 42 1.923 -5.443 -10.535 314 H LEU 43 H LEU 43 -0.862 -6.375 -10.076 315 HA LEU 43 HA LEU 43 0.246 -8.430 -8.554 316 1HB LEU 43 2HB LEU 43 -2.323 -6.964 -8.596 317 2HB LEU 43 1HB LEU 43 -2.302 -8.490 -7.733 318 HG LEU 43 HG LEU 43 -0.223 -6.414 -7.175 319 1HD1 LEU 43 1HD1 LEU 43 -2.882 -6.580 -5.776 320 2HD1 LEU 43 2HD1 LEU 43 -2.482 -5.365 -6.989 321 3HD1 LEU 43 3HD1 LEU 43 -1.581 -5.432 -5.476 322 1HD2 LEU 43 1HD2 LEU 43 0.327 -8.414 -6.161 323 2HD2 LEU 43 2HD2 LEU 43 -1.353 -8.821 -5.811 324 3HD2 LEU 43 3HD2 LEU 43 -0.538 -7.563 -4.887 325 H ALA 44 H ALA 44 -1.817 -8.533 -11.302 326 HA ALA 44 HA ALA 44 -3.083 -10.992 -10.966 327 1HB ALA 44 1HB ALA 44 -3.793 -10.737 -13.099 328 2HB ALA 44 2HB ALA 44 -2.191 -10.305 -13.696 329 3HB ALA 44 3HB ALA 44 -3.174 -9.103 -12.860 330 H SER 45 H SER 45 0.227 -10.303 -11.532 331 HA SER 45 HA SER 45 0.724 -13.125 -12.092 332 1HB SER 45 2HB SER 45 1.366 -11.957 -14.051 333 2HB SER 45 1HB SER 45 2.156 -10.686 -13.119 334 HG SER 45 HG SER 45 3.233 -12.890 -14.092 335 H LYS 46 H LYS 46 0.936 -10.909 -9.694 336 HA LYS 46 HA LYS 46 2.795 -12.475 -8.210 337 1HB LYS 46 2HB LYS 46 4.093 -10.751 -9.768 338 2HB LYS 46 1HB LYS 46 3.713 -9.658 -8.444 339 1HG LYS 46 2HG LYS 46 4.693 -11.908 -7.174 340 2HG LYS 46 1HG LYS 46 5.708 -11.748 -8.610 341 1HD LYS 46 2HD LYS 46 5.867 -9.261 -7.938 342 2HD LYS 46 1HD LYS 46 5.301 -9.809 -6.359 343 1HE LYS 46 2HE LYS 46 7.198 -11.134 -6.013 344 2HE LYS 46 1HE LYS 46 7.637 -11.107 -7.721 345 1HZ LYS 46 1HZ LYS 46 7.572 -8.565 -6.262 346 2HZ LYS 46 2HZ LYS 46 8.563 -9.045 -7.546 347 3HZ LYS 46 3HZ LYS 46 8.871 -9.613 -5.982 348 H THR 47 H THR 47 3.138 -11.585 -6.002 349 HA THR 47 HA THR 47 1.115 -9.680 -5.174 350 HB THR 47 HB THR 47 1.485 -12.393 -3.909 351 HG1 THR 47 1HG THR 47 0.194 -12.127 -5.927 352 1HG2 THR 47 1HG2 THR 47 0.958 -10.660 -2.242 353 2HG2 THR 47 2HG2 THR 47 -0.339 -11.837 -2.442 354 3HG2 THR 47 3HG2 THR 47 -0.479 -10.238 -3.170 355 HA PRO 48 HA PRO 48 4.805 -8.444 -2.937 356 1HB PRO 48 2HB PRO 48 3.840 -6.075 -2.019 357 2HB PRO 48 1HB PRO 48 4.469 -6.300 -3.651 358 1HG PRO 48 2HG PRO 48 1.664 -6.098 -2.716 359 2HG PRO 48 1HG PRO 48 2.380 -5.583 -4.250 360 1HD PRO 48 2HD PRO 48 0.884 -7.894 -3.864 361 2HD PRO 48 1HD PRO 48 1.971 -7.591 -5.229 362 H ASP 49 H ASP 49 5.386 -8.192 -0.735 363 HA ASP 49 HA ASP 49 3.664 -9.607 1.050 364 1HB ASP 49 2HB ASP 49 6.362 -8.305 1.359 365 2HB ASP 49 1HB ASP 49 5.512 -9.002 2.735 366 H VAL 50 H VAL 50 4.431 -6.221 0.497 367 HA VAL 50 HA VAL 50 2.276 -5.499 2.324 368 HB VAL 50 HB VAL 50 4.330 -5.508 3.685 369 1HG1 VAL 50 1HG1 VAL 50 5.384 -3.149 2.227 370 2HG1 VAL 50 2HG1 VAL 50 5.645 -4.747 1.520 371 3HG1 VAL 50 3HG1 VAL 50 6.238 -4.389 3.145 372 1HG2 VAL 50 1HG2 VAL 50 2.489 -3.945 4.173 373 2HG2 VAL 50 2HG2 VAL 50 3.285 -2.731 3.171 374 3HG2 VAL 50 3HG2 VAL 50 4.064 -3.306 4.642 375 H LEU 51 H LEU 51 0.997 -4.424 0.879 376 HA LEU 51 HA LEU 51 2.200 -2.703 -1.125 377 1HB LEU 51 2HB LEU 51 0.225 -4.222 -1.566 378 2HB LEU 51 1HB LEU 51 -0.739 -3.109 -0.613 379 HG LEU 51 HG LEU 51 -0.129 -1.292 -2.209 380 1HD1 LEU 51 1HD1 LEU 51 1.949 -2.308 -3.041 381 2HD1 LEU 51 2HD1 LEU 51 0.848 -1.867 -4.344 382 3HD1 LEU 51 3HD1 LEU 51 1.000 -3.553 -3.853 383 1HD2 LEU 51 1HD2 LEU 51 -1.389 -3.592 -3.668 384 2HD2 LEU 51 2HD2 LEU 51 -1.751 -1.870 -3.798 385 3HD2 LEU 51 3HD2 LEU 51 -2.208 -2.762 -2.345 386 H LEU 52 H LEU 52 1.599 -0.491 -1.423 387 HA LEU 52 HA LEU 52 0.571 0.896 0.958 388 1HB LEU 52 2HB LEU 52 3.204 0.799 0.589 389 2HB LEU 52 1HB LEU 52 2.844 2.090 -0.535 390 HG LEU 52 HG LEU 52 2.079 2.166 2.373 391 1HD1 LEU 52 1HD1 LEU 52 4.649 2.275 1.375 392 2HD1 LEU 52 2HD1 LEU 52 4.102 2.897 2.932 393 3HD1 LEU 52 3HD1 LEU 52 4.186 3.969 1.535 394 1HD2 LEU 52 1HD2 LEU 52 0.720 3.595 0.963 395 2HD2 LEU 52 2HD2 LEU 52 2.167 4.288 0.235 396 3HD2 LEU 52 3HD2 LEU 52 1.814 4.570 1.940 397 H SER 53 H SER 53 -1.088 2.147 0.331 398 HA SER 53 HA SER 53 -1.087 3.172 -2.432 399 1HB SER 53 2HB SER 53 -3.121 1.865 -0.828 400 2HB SER 53 1HB SER 53 -3.689 3.415 -1.452 401 HG SER 53 HG SER 53 -3.878 2.491 -3.314 402 H ASP 54 H ASP 54 -1.036 5.308 -2.755 403 HA ASP 54 HA ASP 54 -0.968 7.051 -0.456 404 1HB ASP 54 2HB ASP 54 0.390 7.099 -2.788 405 2HB ASP 54 1HB ASP 54 -0.887 8.258 -3.148 406 H ILE 55 H ILE 55 -3.461 5.857 -2.257 407 HA ILE 55 HA ILE 55 -5.577 6.566 -2.796 408 HB ILE 55 HB ILE 55 -5.827 6.155 -0.449 409 1HG1 ILE 55 2HG1 ILE 55 -7.167 8.801 -0.579 410 2HG1 ILE 55 1HG1 ILE 55 -7.551 7.636 -1.841 411 1HG2 ILE 55 1HG2 ILE 55 -5.519 7.916 1.244 412 2HG2 ILE 55 2HG2 ILE 55 -4.816 8.952 0.003 413 3HG2 ILE 55 3HG2 ILE 55 -4.017 7.446 0.451 414 1HD1 ILE 55 1HD1 ILE 55 -8.753 7.798 0.616 415 2HD1 ILE 55 2HD1 ILE 55 -7.602 6.479 0.826 416 3HD1 ILE 55 3HD1 ILE 55 -8.800 6.405 -0.465 417 H ARG 56 H ARG 56 -5.280 7.944 -4.576 418 HA ARG 56 HA ARG 56 -5.249 10.820 -3.932 419 1HB ARG 56 2HB ARG 56 -3.348 9.604 -5.366 420 2HB ARG 56 1HB ARG 56 -4.495 9.933 -6.658 421 1HG ARG 56 2HG ARG 56 -4.412 12.319 -5.329 422 2HG ARG 56 1HG ARG 56 -2.749 11.745 -5.193 423 1HD ARG 56 2HD ARG 56 -2.574 11.524 -7.579 424 2HD ARG 56 1HD ARG 56 -4.288 11.884 -7.781 425 HE ARG 56 HE ARG 56 -3.759 14.096 -7.718 426 1HH1 ARG 56 1HH1 ARG 56 -1.185 12.321 -6.167 427 2HH1 ARG 56 2HH1 ARG 56 -0.226 13.731 -5.862 428 1HH2 ARG 56 1HH2 ARG 56 -2.500 15.951 -7.317 429 2HH2 ARG 56 2HH2 ARG 56 -0.973 15.791 -6.517 430 H MET 57 H MET 57 -7.642 9.379 -3.935 431 HA MET 57 HA MET 57 -9.753 9.436 -4.741 432 1HB MET 57 2HB MET 57 -8.958 11.951 -4.677 433 2HB MET 57 1HB MET 57 -9.155 11.817 -6.420 434 1HG MET 57 2HG MET 57 -11.473 10.725 -5.567 435 2HG MET 57 1HG MET 57 -11.167 11.894 -4.284 436 1HE MET 57 1HE MET 57 -13.906 12.894 -5.865 437 2HE MET 57 2HE MET 57 -13.334 11.357 -6.515 438 3HE MET 57 3HE MET 57 -13.609 12.725 -7.594 439 HA PRO 58 HA PRO 58 -8.269 7.979 -9.063 440 1HB PRO 58 2HB PRO 58 -8.404 5.286 -8.549 441 2HB PRO 58 1HB PRO 58 -6.917 6.233 -8.446 442 1HG PRO 58 2HG PRO 58 -8.759 5.356 -6.258 443 2HG PRO 58 1HG PRO 58 -6.986 5.397 -6.282 444 1HD PRO 58 2HD PRO 58 -8.448 7.281 -5.034 445 2HD PRO 58 1HD PRO 58 -6.910 7.660 -5.827 446 H GLY 59 H GLY 59 -10.162 5.467 -7.445 447 1HA GLY 59 2HA GLY 59 -12.445 6.136 -9.182 448 2HA GLY 59 1HA GLY 59 -12.154 4.566 -8.437 449 H MET 60 H MET 60 -12.551 4.307 -6.194 450 HA MET 60 HA MET 60 -14.601 6.110 -5.180 451 1HB MET 60 2HB MET 60 -14.845 3.575 -5.023 452 2HB MET 60 1HB MET 60 -13.580 3.626 -3.801 453 1HG MET 60 2HG MET 60 -15.122 3.989 -2.278 454 2HG MET 60 1HG MET 60 -15.437 5.554 -3.024 455 1HE MET 60 1HE MET 60 -17.539 4.012 -5.971 456 2HE MET 60 2HE MET 60 -16.350 5.229 -5.503 457 3HE MET 60 3HE MET 60 -18.061 5.483 -5.153 458 H ASP 61 H ASP 61 -12.649 7.609 -5.249 459 HA ASP 61 HA ASP 61 -11.333 9.053 -4.131 460 1HB ASP 61 2HB ASP 61 -12.991 7.858 -2.081 461 2HB ASP 61 1HB ASP 61 -11.430 8.382 -1.448 462 H GLY 62 H GLY 62 -10.962 5.666 -3.443 463 1HA GLY 62 2HA GLY 62 -8.409 5.266 -4.031 464 2HA GLY 62 1HA GLY 62 -8.263 5.997 -2.438 465 H LEU 63 H LEU 63 -10.699 4.874 -1.396 466 HA LEU 63 HA LEU 63 -9.693 2.423 -0.443 467 1HB LEU 63 2HB LEU 63 -12.613 3.096 -0.343 468 2HB LEU 63 1HB LEU 63 -11.662 2.177 0.804 469 HG LEU 63 HG LEU 63 -10.461 4.558 1.081 470 1HD1 LEU 63 1HD1 LEU 63 -13.278 5.463 0.799 471 2HD1 LEU 63 2HD1 LEU 63 -12.268 5.388 -0.642 472 3HD1 LEU 63 3HD1 LEU 63 -11.779 6.389 0.725 473 1HD2 LEU 63 1HD2 LEU 63 -11.393 4.560 3.147 474 2HD2 LEU 63 2HD2 LEU 63 -11.880 2.942 2.646 475 3HD2 LEU 63 3HD2 LEU 63 -13.026 4.277 2.537 476 H ALA 64 H ALA 64 -11.489 3.280 -3.264 477 HA ALA 64 HA ALA 64 -12.904 0.948 -3.821 478 1HB ALA 64 1HB ALA 64 -11.370 2.609 -5.820 479 2HB ALA 64 2HB ALA 64 -12.980 2.978 -5.224 480 3HB ALA 64 3HB ALA 64 -12.711 1.523 -6.171 481 H LEU 65 H LEU 65 -9.487 1.670 -4.246 482 HA LEU 65 HA LEU 65 -8.707 -0.533 -5.735 483 1HB LEU 65 2HB LEU 65 -7.448 1.580 -4.428 484 2HB LEU 65 1HB LEU 65 -6.761 0.143 -3.693 485 HG LEU 65 HG LEU 65 -5.463 1.016 -5.631 486 1HD1 LEU 65 1HD1 LEU 65 -6.633 -1.747 -5.688 487 2HD1 LEU 65 2HD1 LEU 65 -5.059 -1.228 -5.086 488 3HD1 LEU 65 3HD1 LEU 65 -5.381 -1.243 -6.820 489 1HD2 LEU 65 1HD2 LEU 65 -6.340 0.678 -7.877 490 2HD2 LEU 65 2HD2 LEU 65 -7.370 1.782 -6.973 491 3HD2 LEU 65 3HD2 LEU 65 -7.866 0.109 -7.217 492 H LEU 66 H LEU 66 -9.024 -0.200 -2.229 493 HA LEU 66 HA LEU 66 -8.042 -2.678 -1.455 494 1HB LEU 66 2HB LEU 66 -10.407 -1.336 -0.166 495 2HB LEU 66 1HB LEU 66 -9.219 -2.380 0.591 496 HG LEU 66 HG LEU 66 -8.333 0.212 -0.611 497 1HD1 LEU 66 1HD1 LEU 66 -9.725 -0.135 2.025 498 2HD1 LEU 66 2HD1 LEU 66 -10.135 0.965 0.716 499 3HD1 LEU 66 3HD1 LEU 66 -8.669 1.224 1.661 500 1HD2 LEU 66 1HD2 LEU 66 -7.323 -0.924 1.936 501 2HD2 LEU 66 2HD2 LEU 66 -6.464 -0.071 0.653 502 3HD2 LEU 66 3HD2 LEU 66 -6.915 -1.762 0.438 503 H LYS 67 H LYS 67 -11.289 -1.763 -2.520 504 HA LYS 67 HA LYS 67 -12.584 -4.192 -2.054 505 1HB LYS 67 2HB LYS 67 -13.460 -1.852 -2.927 506 2HB LYS 67 1HB LYS 67 -13.261 -2.621 -4.499 507 1HG LYS 67 2HG LYS 67 -14.689 -4.491 -3.687 508 2HG LYS 67 1HG LYS 67 -14.990 -3.557 -2.223 509 1HD LYS 67 2HD LYS 67 -16.053 -1.812 -3.481 510 2HD LYS 67 1HD LYS 67 -15.588 -2.568 -5.007 511 1HE LYS 67 2HE LYS 67 -16.915 -4.610 -3.905 512 2HE LYS 67 1HE LYS 67 -17.750 -3.275 -3.110 513 1HZ LYS 67 1HZ LYS 67 -17.354 -3.263 -6.033 514 2HZ LYS 67 2HZ LYS 67 -18.526 -2.462 -5.115 515 3HZ LYS 67 3HZ LYS 67 -18.633 -4.133 -5.345 516 H GLN 68 H GLN 68 -10.761 -3.076 -4.872 517 HA GLN 68 HA GLN 68 -11.218 -5.386 -6.453 518 1HB GLN 68 2HB GLN 68 -8.864 -3.523 -6.668 519 2HB GLN 68 1HB GLN 68 -9.579 -4.493 -7.946 520 1HG GLN 68 2HG GLN 68 -11.071 -2.282 -6.566 521 2HG GLN 68 1HG GLN 68 -10.059 -2.010 -7.985 522 1HE2 GLN 68 1HE2 GLN 68 -10.787 -2.594 -9.965 523 2HE2 GLN 68 2HE2 GLN 68 -12.364 -3.229 -10.266 524 H ILE 69 H ILE 69 -8.943 -4.555 -3.982 525 HA ILE 69 HA ILE 69 -6.933 -6.424 -4.545 526 HB ILE 69 HB ILE 69 -7.731 -5.107 -1.958 527 1HG1 ILE 69 2HG1 ILE 69 -5.410 -4.551 -3.807 528 2HG1 ILE 69 1HG1 ILE 69 -6.941 -3.691 -3.871 529 1HG2 ILE 69 1HG2 ILE 69 -6.028 -6.057 -0.825 530 2HG2 ILE 69 2HG2 ILE 69 -4.988 -6.140 -2.245 531 3HG2 ILE 69 3HG2 ILE 69 -6.240 -7.353 -1.999 532 1HD1 ILE 69 1HD1 ILE 69 -6.124 -3.555 -1.211 533 2HD1 ILE 69 2HD1 ILE 69 -6.110 -2.263 -2.412 534 3HD1 ILE 69 3HD1 ILE 69 -4.678 -3.265 -2.177 535 H LYS 70 H LYS 70 -9.880 -6.682 -2.687 536 HA LYS 70 HA LYS 70 -9.280 -9.269 -1.645 537 1HB LYS 70 2HB LYS 70 -11.522 -9.222 -0.740 538 2HB LYS 70 1HB LYS 70 -10.741 -7.670 -0.479 539 1HG LYS 70 2HG LYS 70 -12.517 -6.710 -1.374 540 2HG LYS 70 1HG LYS 70 -12.025 -7.402 -2.917 541 1HD LYS 70 2HD LYS 70 -13.464 -9.229 -2.696 542 2HD LYS 70 1HD LYS 70 -13.672 -8.967 -0.962 543 1HE LYS 70 2HE LYS 70 -15.215 -7.318 -1.259 544 2HE LYS 70 1HE LYS 70 -14.507 -6.783 -2.782 545 1HZ LYS 70 1HZ LYS 70 -15.418 -8.824 -3.809 546 2HZ LYS 70 2HZ LYS 70 -16.614 -7.780 -3.223 547 3HZ LYS 70 3HZ LYS 70 -16.211 -9.175 -2.355 548 H GLN 71 H GLN 71 -10.968 -8.007 -4.401 549 HA GLN 71 HA GLN 71 -12.415 -10.303 -5.098 550 1HB GLN 71 2HB GLN 71 -11.610 -7.805 -6.457 551 2HB GLN 71 1HB GLN 71 -12.073 -9.146 -7.495 552 1HG GLN 71 2HG GLN 71 -14.247 -9.161 -6.735 553 2HG GLN 71 1HG GLN 71 -13.831 -8.371 -5.215 554 1HE2 GLN 71 1HE2 GLN 71 -12.909 -6.101 -5.539 555 2HE2 GLN 71 2HE2 GLN 71 -13.759 -5.095 -6.656 556 H ARG 72 H ARG 72 -9.227 -9.216 -6.095 557 HA ARG 72 HA ARG 72 -8.834 -11.693 -7.578 558 1HB ARG 72 2HB ARG 72 -7.531 -9.030 -7.573 559 2HB ARG 72 1HB ARG 72 -6.540 -10.414 -8.016 560 1HG ARG 72 2HG ARG 72 -7.624 -10.746 -9.965 561 2HG ARG 72 1HG ARG 72 -9.176 -10.217 -9.318 562 1HD ARG 72 2HD ARG 72 -8.674 -7.958 -9.640 563 2HD ARG 72 1HD ARG 72 -6.941 -8.269 -9.764 564 HE ARG 72 HE ARG 72 -7.234 -8.547 -12.000 565 1HH1 ARG 72 1HH1 ARG 72 -10.291 -9.159 -10.429 566 2HH1 ARG 72 2HH1 ARG 72 -11.130 -9.477 -11.910 567 1HH2 ARG 72 1HH2 ARG 72 -8.338 -8.974 -13.948 568 2HH2 ARG 72 2HH2 ARG 72 -10.023 -9.373 -13.906 569 H HIS 73 H HIS 73 -7.180 -9.831 -5.094 570 HA HIS 73 HA HIS 73 -5.553 -12.160 -4.416 571 1HB HIS 73 2HB HIS 73 -5.155 -9.700 -2.850 572 2HB HIS 73 1HB HIS 73 -3.977 -10.713 -3.678 573 HD1 HIS 73 1HD HIS 73 -4.291 -10.412 -6.493 574 HD2 HIS 73 2HD HIS 73 -5.273 -7.257 -3.984 575 HE1 HIS 73 1HE HIS 73 -4.308 -8.369 -7.957 576 HE2 HIS 73 2HE HIS 73 -4.789 -6.460 -6.392 577 HA PRO 74 HA PRO 74 -7.826 -13.287 -0.843 578 1HB PRO 74 2HB PRO 74 -5.824 -13.898 0.934 579 2HB PRO 74 1HB PRO 74 -6.352 -14.957 -0.375 580 1HG PRO 74 2HG PRO 74 -3.975 -13.166 -0.226 581 2HG PRO 74 1HG PRO 74 -4.141 -14.758 -0.986 582 1HD PRO 74 2HD PRO 74 -4.143 -12.417 -2.382 583 2HD PRO 74 1HD PRO 74 -4.987 -13.880 -2.925 584 H MET 75 H MET 75 -4.978 -11.825 0.700 585 HA MET 75 HA MET 75 -6.611 -9.629 1.715 586 1HB MET 75 2HB MET 75 -5.195 -11.648 3.461 587 2HB MET 75 1HB MET 75 -5.704 -10.070 4.041 588 1HG MET 75 2HG MET 75 -7.890 -10.639 4.094 589 2HG MET 75 1HG MET 75 -7.758 -11.722 2.712 590 1HE MET 75 1HE MET 75 -8.589 -14.195 3.348 591 2HE MET 75 2HE MET 75 -9.544 -12.982 4.199 592 3HE MET 75 3HE MET 75 -8.981 -14.417 5.054 593 H LEU 76 H LEU 76 -4.818 -9.139 -0.130 594 HA LEU 76 HA LEU 76 -2.142 -8.843 0.648 595 1HB LEU 76 2HB LEU 76 -2.812 -8.733 -1.678 596 2HB LEU 76 1HB LEU 76 -3.749 -7.284 -1.368 597 HG LEU 76 HG LEU 76 -1.531 -6.212 -0.655 598 1HD1 LEU 76 1HD1 LEU 76 -0.624 -8.812 -1.768 599 2HD1 LEU 76 2HD1 LEU 76 0.031 -7.857 -0.438 600 3HD1 LEU 76 3HD1 LEU 76 0.336 -7.374 -2.104 601 1HD2 LEU 76 1HD2 LEU 76 -1.705 -5.193 -2.615 602 2HD2 LEU 76 2HD2 LEU 76 -2.834 -6.447 -3.125 603 3HD2 LEU 76 3HD2 LEU 76 -1.113 -6.620 -3.462 604 HA PRO 77 HA PRO 77 -2.849 -5.587 3.692 605 1HB PRO 77 2HB PRO 77 0.113 -5.639 3.761 606 2HB PRO 77 1HB PRO 77 -1.047 -5.793 5.085 607 1HG PRO 77 2HG PRO 77 0.309 -7.910 4.208 608 2HG PRO 77 1HG PRO 77 -1.391 -8.054 4.696 609 1HD PRO 77 2HD PRO 77 -0.215 -7.903 1.943 610 2HD PRO 77 1HD PRO 77 -1.535 -8.927 2.548 611 H VAL 78 H VAL 78 -2.992 -3.497 3.391 612 HA VAL 78 HA VAL 78 -1.208 -2.131 1.520 613 HB VAL 78 HB VAL 78 -4.129 -1.449 1.737 614 1HG1 VAL 78 1HG1 VAL 78 -3.755 -0.270 -0.337 615 2HG1 VAL 78 2HG1 VAL 78 -2.100 -0.871 -0.420 616 3HG1 VAL 78 3HG1 VAL 78 -2.568 0.252 0.856 617 1HG2 VAL 78 1HG2 VAL 78 -4.487 -2.676 -0.348 618 2HG2 VAL 78 2HG2 VAL 78 -4.003 -3.748 0.964 619 3HG2 VAL 78 3HG2 VAL 78 -2.836 -3.284 -0.277 620 H ILE 79 H ILE 79 -0.916 0.102 1.946 621 HA ILE 79 HA ILE 79 -1.780 0.978 4.623 622 HB ILE 79 HB ILE 79 0.891 1.728 3.467 623 1HG1 ILE 79 2HG1 ILE 79 1.190 -0.215 5.545 624 2HG1 ILE 79 1HG1 ILE 79 0.140 -0.887 4.305 625 1HG2 ILE 79 1HG2 ILE 79 -0.539 2.574 5.688 626 2HG2 ILE 79 2HG2 ILE 79 1.165 2.880 5.338 627 3HG2 ILE 79 3HG2 ILE 79 0.703 1.495 6.333 628 1HD1 ILE 79 1HD1 ILE 79 2.991 -0.449 4.278 629 2HD1 ILE 79 2HD1 ILE 79 2.200 0.258 2.872 630 3HD1 ILE 79 3HD1 ILE 79 1.988 -1.454 3.236 631 H ILE 80 H ILE 80 -3.123 2.655 4.344 632 HA ILE 80 HA ILE 80 -2.734 4.384 2.014 633 HB ILE 80 HB ILE 80 -5.145 4.455 3.792 634 1HG1 ILE 80 2HG1 ILE 80 -4.791 2.119 3.059 635 2HG1 ILE 80 1HG1 ILE 80 -6.214 2.832 2.308 636 1HG2 ILE 80 1HG2 ILE 80 -4.460 5.358 1.020 637 2HG2 ILE 80 2HG2 ILE 80 -5.168 6.274 2.349 638 3HG2 ILE 80 3HG2 ILE 80 -6.136 5.077 1.489 639 1HD1 ILE 80 1HD1 ILE 80 -3.988 1.612 1.073 640 2HD1 ILE 80 2HD1 ILE 80 -4.005 3.314 0.610 641 3HD1 ILE 80 3HD1 ILE 80 -5.424 2.306 0.323 642 H MET 81 H MET 81 -2.293 6.469 2.104 643 HA MET 81 HA MET 81 -1.249 7.612 4.481 644 1HB MET 81 2HB MET 81 -0.917 9.613 3.097 645 2HB MET 81 1HB MET 81 -0.346 8.162 2.295 646 1HG MET 81 2HG MET 81 -2.082 8.188 0.756 647 2HG MET 81 1HG MET 81 -3.078 9.247 1.755 648 1HE MET 81 1HE MET 81 -2.878 11.673 -0.930 649 2HE MET 81 2HE MET 81 -3.155 12.104 0.758 650 3HE MET 81 3HE MET 81 -3.780 10.583 0.123 651 H THR 82 H THR 82 -4.345 7.938 2.822 652 HA THR 82 HA THR 82 -5.328 9.453 5.133 653 HB THR 82 HB THR 82 -6.050 10.226 2.308 654 HG1 THR 82 1HG THR 82 -4.549 11.818 2.431 655 1HG2 THR 82 1HG2 THR 82 -6.352 11.724 4.898 656 2HG2 THR 82 2HG2 THR 82 -7.650 10.912 4.023 657 3HG2 THR 82 3HG2 THR 82 -6.825 12.289 3.293 658 H ALA 83 H ALA 83 -7.568 9.256 5.543 659 HA ALA 83 HA ALA 83 -8.878 7.065 4.068 660 1HB ALA 83 1HB ALA 83 -9.728 7.481 6.847 661 2HB ALA 83 2HB ALA 83 -8.074 6.910 6.649 662 3HB ALA 83 3HB ALA 83 -9.411 5.988 5.964 663 H HIS 84 H HIS 84 -9.665 8.998 2.786 664 HA HIS 84 HA HIS 84 -11.867 10.396 4.126 665 1HB HIS 84 2HB HIS 84 -11.927 11.695 1.918 666 2HB HIS 84 1HB HIS 84 -10.528 11.944 2.958 667 HD1 HIS 84 1HD HIS 84 -11.281 9.366 0.256 668 HD2 HIS 84 2HD HIS 84 -8.365 12.109 1.359 669 HE1 HIS 84 1HE HIS 84 -9.450 9.122 -1.442 670 HE2 HIS 84 2HE HIS 84 -7.663 10.738 -0.718 671 H SER 85 H SER 85 -13.723 10.840 2.335 672 HA SER 85 HA SER 85 -15.498 9.957 1.217 673 1HB SER 85 2HB SER 85 -13.242 8.932 -0.065 674 2HB SER 85 1HB SER 85 -14.271 7.526 0.201 675 HG SER 85 HG SER 85 -14.974 9.940 -1.114 676 H ASP 86 H ASP 86 -16.208 7.257 0.741 677 HA ASP 86 HA ASP 86 -17.430 6.583 3.154 678 1HB ASP 86 2HB ASP 86 -17.628 5.731 0.542 679 2HB ASP 86 1HB ASP 86 -16.998 4.306 1.363 680 H LEU 87 H LEU 87 -15.897 6.535 4.796 681 HA LEU 87 HA LEU 87 -13.513 5.157 4.906 682 1HB LEU 87 2HB LEU 87 -14.936 6.669 6.636 683 2HB LEU 87 1HB LEU 87 -15.170 5.089 7.354 684 HG LEU 87 HG LEU 87 -13.262 6.461 8.273 685 1HD1 LEU 87 1HD1 LEU 87 -13.427 3.684 7.684 686 2HD1 LEU 87 2HD1 LEU 87 -12.629 4.486 9.036 687 3HD1 LEU 87 3HD1 LEU 87 -11.744 4.190 7.541 688 1HD2 LEU 87 1HD2 LEU 87 -11.399 5.624 6.217 689 2HD2 LEU 87 2HD2 LEU 87 -11.603 7.195 6.992 690 3HD2 LEU 87 3HD2 LEU 87 -12.596 6.764 5.601 691 H ASP 88 H ASP 88 -16.721 3.905 4.971 692 HA ASP 88 HA ASP 88 -16.519 1.531 6.313 693 1HB ASP 88 2HB ASP 88 -18.546 2.519 5.118 694 2HB ASP 88 1HB ASP 88 -17.934 1.743 3.660 695 H ALA 89 H ALA 89 -15.286 2.245 3.068 696 HA ALA 89 HA ALA 89 -14.656 -0.467 2.483 697 1HB ALA 89 1HB ALA 89 -13.625 2.061 1.217 698 2HB ALA 89 2HB ALA 89 -15.015 1.115 0.685 699 3HB ALA 89 3HB ALA 89 -13.393 0.431 0.583 700 H ALA 90 H ALA 90 -13.141 1.969 4.347 701 HA ALA 90 HA ALA 90 -10.453 1.091 4.107 702 1HB ALA 90 1HB ALA 90 -9.937 2.566 5.859 703 2HB ALA 90 2HB ALA 90 -11.575 2.489 6.516 704 3HB ALA 90 3HB ALA 90 -11.276 3.332 4.997 705 H VAL 91 H VAL 91 -12.921 0.542 6.640 706 HA VAL 91 HA VAL 91 -11.302 -1.249 8.112 707 HB VAL 91 HB VAL 91 -14.306 -1.289 8.166 708 1HG1 VAL 91 1HG1 VAL 91 -13.385 -1.633 10.707 709 2HG1 VAL 91 2HG1 VAL 91 -12.107 -2.405 9.761 710 3HG1 VAL 91 3HG1 VAL 91 -13.781 -2.946 9.594 711 1HG2 VAL 91 1HG2 VAL 91 -13.140 1.043 8.424 712 2HG2 VAL 91 2HG2 VAL 91 -12.697 0.424 10.014 713 3HG2 VAL 91 3HG2 VAL 91 -14.395 0.552 9.561 714 H SER 92 H SER 92 -13.842 -1.768 5.696 715 HA SER 92 HA SER 92 -13.825 -4.575 5.798 716 1HB SER 92 2HB SER 92 -14.354 -3.008 3.277 717 2HB SER 92 1HB SER 92 -15.059 -4.546 3.784 718 HG SER 92 HG SER 92 -15.945 -3.235 5.602 719 H ALA 93 H ALA 93 -11.487 -2.382 4.718 720 HA ALA 93 HA ALA 93 -10.275 -3.975 2.705 721 1HB ALA 93 1HB ALA 93 -8.721 -2.289 2.496 722 2HB ALA 93 2HB ALA 93 -8.791 -1.884 4.212 723 3HB ALA 93 3HB ALA 93 -10.110 -1.420 3.143 724 H TYR 94 H TYR 94 -9.162 -3.015 5.909 725 HA TYR 94 HA TYR 94 -6.952 -4.565 6.178 726 1HB TYR 94 2HB TYR 94 -8.810 -4.397 8.519 727 2HB TYR 94 1HB TYR 94 -7.057 -4.282 8.488 728 HD1 TYR 94 1HD TYR 94 -9.851 -2.455 9.177 729 HD2 TYR 94 2HD TYR 94 -6.312 -2.185 6.825 730 HE1 TYR 94 1HE TYR 94 -10.006 -0.003 9.225 731 HE2 TYR 94 2HE TYR 94 -6.465 0.264 6.867 732 HH TYR 94 HH TYR 94 -7.970 1.978 8.906 733 H GLN 95 H GLN 95 -10.253 -5.583 6.525 734 HA GLN 95 HA GLN 95 -9.618 -8.207 7.481 735 1HB GLN 95 2HB GLN 95 -11.988 -8.658 7.249 736 2HB GLN 95 1HB GLN 95 -11.759 -7.075 7.980 737 1HG GLN 95 2HG GLN 95 -13.291 -6.443 6.479 738 2HG GLN 95 1HG GLN 95 -11.904 -6.380 5.399 739 1HE2 GLN 95 1HE2 GLN 95 -14.194 -6.624 4.164 740 2HE2 GLN 95 2HE2 GLN 95 -14.468 -8.237 3.602 741 H GLN 96 H GLN 96 -10.338 -6.771 4.348 742 HA GLN 96 HA GLN 96 -10.081 -9.370 3.082 743 1HB GLN 96 2HB GLN 96 -11.101 -8.433 1.158 744 2HB GLN 96 1HB GLN 96 -12.032 -7.909 2.551 745 1HG GLN 96 2HG GLN 96 -10.520 -5.802 2.433 746 2HG GLN 96 1HG GLN 96 -10.235 -6.324 0.776 747 1HE2 GLN 96 1HE2 GLN 96 -11.366 -3.947 1.061 748 2HE2 GLN 96 2HE2 GLN 96 -13.048 -3.990 0.674 749 H GLY 97 H GLY 97 -7.888 -7.319 4.076 750 1HA GLY 97 2HA GLY 97 -5.635 -7.824 3.151 751 2HA GLY 97 1HA GLY 97 -6.321 -7.473 1.574 752 H ALA 98 H ALA 98 -5.504 -6.049 4.700 753 HA ALA 98 HA ALA 98 -4.371 -3.767 3.504 754 1HB ALA 98 1HB ALA 98 -6.125 -2.449 3.251 755 2HB ALA 98 2HB ALA 98 -6.262 -2.401 5.007 756 3HB ALA 98 3HB ALA 98 -7.171 -3.590 4.084 757 H PHE 99 H PHE 99 -3.081 -2.631 4.947 758 HA PHE 99 HA PHE 99 -2.654 -3.946 7.462 759 1HB PHE 99 2HB PHE 99 -0.847 -3.104 5.817 760 2HB PHE 99 1HB PHE 99 -1.149 -1.524 6.533 761 HD1 PHE 99 1HD PHE 99 -1.050 -4.891 8.108 762 HD2 PHE 99 2HD PHE 99 0.719 -1.036 7.795 763 HE1 PHE 99 1HE PHE 99 0.461 -5.440 9.967 764 HE2 PHE 99 2HE PHE 99 2.240 -1.583 9.655 765 HZ PHE 99 HZ PHE 99 2.110 -3.785 10.742 766 H ASP 100 H ASP 100 -3.289 -0.582 6.446 767 HA ASP 100 HA ASP 100 -5.150 -0.046 8.439 768 1HB ASP 100 2HB ASP 100 -2.518 -0.137 9.479 769 2HB ASP 100 1HB ASP 100 -3.006 1.556 9.463 770 H TYR 101 H TYR 101 -4.672 2.583 9.062 771 HA TYR 101 HA TYR 101 -4.353 3.947 6.479 772 1HB TYR 101 2HB TYR 101 -6.784 3.753 8.143 773 2HB TYR 101 1HB TYR 101 -6.378 5.378 7.610 774 HD1 TYR 101 1HD TYR 101 -7.125 1.951 6.407 775 HD2 TYR 101 2HD TYR 101 -6.815 6.068 5.395 776 HE1 TYR 101 1HE TYR 101 -8.205 1.494 4.246 777 HE2 TYR 101 2HE TYR 101 -7.891 5.622 3.226 778 HH TYR 101 HH TYR 101 -9.623 2.977 2.550 779 H LEU 102 H LEU 102 -3.845 6.202 6.661 780 HA LEU 102 HA LEU 102 -2.607 6.867 9.239 781 1HB LEU 102 2HB LEU 102 -2.056 7.623 6.409 782 2HB LEU 102 1HB LEU 102 -1.673 8.793 7.649 783 HG LEU 102 HG LEU 102 0.352 7.755 7.448 784 1HD1 LEU 102 1HD1 LEU 102 0.725 6.140 9.224 785 2HD1 LEU 102 2HD1 LEU 102 -1.015 5.912 9.390 786 3HD1 LEU 102 3HD1 LEU 102 -0.291 7.476 9.768 787 1HD2 LEU 102 1HD2 LEU 102 0.546 6.059 6.054 788 2HD2 LEU 102 2HD2 LEU 102 -1.180 5.732 6.171 789 3HD2 LEU 102 3HD2 LEU 102 -0.064 4.976 7.305 790 HA PRO 103 HA PRO 103 -6.156 9.488 10.029 791 1HB PRO 103 2HB PRO 103 -4.160 10.800 11.814 792 2HB PRO 103 1HB PRO 103 -5.802 10.256 12.172 793 1HG PRO 103 2HG PRO 103 -3.691 8.860 13.005 794 2HG PRO 103 1HG PRO 103 -5.157 8.046 12.429 795 1HD PRO 103 2HD PRO 103 -2.524 8.393 11.078 796 2HD PRO 103 1HD PRO 103 -3.672 7.041 10.988 797 H LYS 104 H LYS 104 -2.913 10.867 9.673 798 HA LYS 104 HA LYS 104 -3.870 12.760 7.731 799 1HB LYS 104 2HB LYS 104 -2.652 13.831 10.283 800 2HB LYS 104 1HB LYS 104 -3.173 14.772 8.894 801 1HG LYS 104 2HG LYS 104 -5.478 14.154 9.299 802 2HG LYS 104 1HG LYS 104 -4.986 13.115 10.637 803 1HD LYS 104 2HD LYS 104 -3.918 15.277 11.591 804 2HD LYS 104 1HD LYS 104 -4.999 16.101 10.466 805 1HE LYS 104 2HE LYS 104 -6.114 15.958 12.576 806 2HE LYS 104 1HE LYS 104 -6.897 14.828 11.471 807 1HZ LYS 104 1HZ LYS 104 -6.261 13.073 12.686 808 2HZ LYS 104 2HZ LYS 104 -6.078 14.197 13.936 809 3HZ LYS 104 3HZ LYS 104 -4.733 13.710 13.033 810 HA PRO 105 HA PRO 105 0.891 12.898 7.823 811 1HB PRO 105 2HB PRO 105 2.294 11.725 9.782 812 2HB PRO 105 1HB PRO 105 1.586 13.331 9.987 813 1HG PRO 105 2HG PRO 105 0.620 10.691 10.992 814 2HG PRO 105 1HG PRO 105 0.621 12.267 11.801 815 1HD PRO 105 2HD PRO 105 -1.565 11.135 10.562 816 2HD PRO 105 1HD PRO 105 -1.364 12.866 10.872 817 H PHE 106 H PHE 106 2.613 11.441 7.123 818 HA PHE 106 HA PHE 106 2.433 8.653 7.315 819 1HB PHE 106 2HB PHE 106 2.114 8.443 4.678 820 2HB PHE 106 1HB PHE 106 0.777 8.314 5.804 821 HD1 PHE 106 1HD PHE 106 -0.767 10.226 6.101 822 HD2 PHE 106 2HD PHE 106 2.237 10.174 3.090 823 HE1 PHE 106 1HE PHE 106 -1.954 12.015 4.888 824 HE2 PHE 106 2HE PHE 106 1.065 11.969 1.879 825 HZ PHE 106 HZ PHE 106 -1.035 12.889 2.778 826 H ASP 107 H ASP 107 3.291 10.651 4.492 827 HA ASP 107 HA ASP 107 5.240 10.632 3.270 828 1HB ASP 107 2HB ASP 107 7.054 11.768 4.477 829 2HB ASP 107 1HB ASP 107 5.496 12.512 4.825 830 H ILE 108 H ILE 108 7.909 10.094 3.965 831 HA ILE 108 HA ILE 108 7.867 7.274 3.795 832 HB ILE 108 HB ILE 108 9.862 9.332 3.545 833 1HG1 ILE 108 2HG1 ILE 108 10.822 7.745 1.965 834 2HG1 ILE 108 1HG1 ILE 108 9.792 6.471 2.605 835 1HG2 ILE 108 1HG2 ILE 108 11.800 7.832 4.144 836 2HG2 ILE 108 2HG2 ILE 108 10.648 6.855 5.052 837 3HG2 ILE 108 3HG2 ILE 108 10.926 8.538 5.504 838 1HD1 ILE 108 1HD1 ILE 108 9.156 7.749 0.415 839 2HD1 ILE 108 2HD1 ILE 108 8.518 8.936 1.553 840 3HD1 ILE 108 3HD1 ILE 108 7.920 7.276 1.583 841 H ASP 109 H ASP 109 8.750 9.460 6.374 842 HA ASP 109 HA ASP 109 9.696 7.631 8.216 843 1HB ASP 109 2HB ASP 109 8.344 10.284 8.496 844 2HB ASP 109 1HB ASP 109 8.659 9.322 9.936 845 H GLU 110 H GLU 110 6.325 8.843 8.068 846 HA GLU 110 HA GLU 110 5.464 6.834 9.890 847 1HB GLU 110 2HB GLU 110 3.782 8.727 8.267 848 2HB GLU 110 1HB GLU 110 3.231 7.770 9.625 849 1HG GLU 110 2HG GLU 110 5.509 9.477 10.236 850 2HG GLU 110 1HG GLU 110 4.075 10.361 9.699 851 H ALA 111 H ALA 111 5.518 7.113 6.404 852 HA ALA 111 HA ALA 111 3.601 5.007 6.052 853 1HB ALA 111 1HB ALA 111 4.015 6.845 4.370 854 2HB ALA 111 2HB ALA 111 3.946 5.206 3.722 855 3HB ALA 111 3HB ALA 111 5.505 6.000 3.944 856 H VAL 112 H VAL 112 7.127 5.279 5.492 857 HA VAL 112 HA VAL 112 7.574 2.562 4.965 858 HB VAL 112 HB VAL 112 9.468 4.499 6.295 859 1HG1 VAL 112 1HG1 VAL 112 10.707 2.506 4.632 860 2HG1 VAL 112 2HG1 VAL 112 9.705 1.737 5.864 861 3HG1 VAL 112 3HG1 VAL 112 10.977 2.865 6.339 862 1HG2 VAL 112 1HG2 VAL 112 10.271 4.213 3.679 863 2HG2 VAL 112 2HG2 VAL 112 9.368 5.578 4.331 864 3HG2 VAL 112 3HG2 VAL 112 8.513 4.251 3.545 865 H ALA 113 H ALA 113 7.124 4.314 7.911 866 HA ALA 113 HA ALA 113 8.122 2.402 9.729 867 1HB ALA 113 1HB ALA 113 7.435 4.865 10.128 868 2HB ALA 113 2HB ALA 113 7.144 3.690 11.407 869 3HB ALA 113 3HB ALA 113 5.819 4.210 10.366 870 H LEU 114 H LEU 114 4.891 3.066 8.471 871 HA LEU 114 HA LEU 114 3.650 0.882 9.798 872 1HB LEU 114 2HB LEU 114 2.623 3.094 8.928 873 2HB LEU 114 1HB LEU 114 2.528 2.267 7.387 874 HG LEU 114 HG LEU 114 0.998 0.644 8.252 875 1HD1 LEU 114 1HD1 LEU 114 1.551 0.042 10.367 876 2HD1 LEU 114 2HD1 LEU 114 0.222 1.140 10.730 877 3HD1 LEU 114 3HD1 LEU 114 1.892 1.695 10.877 878 1HD2 LEU 114 1HD2 LEU 114 -0.254 2.494 7.632 879 2HD2 LEU 114 2HD2 LEU 114 0.404 3.503 8.914 880 3HD2 LEU 114 3HD2 LEU 114 -0.772 2.246 9.293 881 H VAL 115 H VAL 115 5.426 1.194 6.864 882 HA VAL 115 HA VAL 115 4.228 -1.067 5.573 883 HB VAL 115 HB VAL 115 5.440 0.899 4.415 884 1HG1 VAL 115 1HG1 VAL 115 7.537 0.679 5.685 885 2HG1 VAL 115 2HG1 VAL 115 7.788 0.588 3.949 886 3HG1 VAL 115 3HG1 VAL 115 7.820 -0.880 4.926 887 1HG2 VAL 115 1HG2 VAL 115 5.177 -1.899 3.731 888 2HG2 VAL 115 2HG2 VAL 115 6.500 -1.129 2.859 889 3HG2 VAL 115 3HG2 VAL 115 4.872 -0.465 2.753 890 H GLU 116 H GLU 116 7.228 -0.483 7.346 891 HA GLU 116 HA GLU 116 8.308 -3.070 6.981 892 1HB GLU 116 2HB GLU 116 8.807 -0.927 9.044 893 2HB GLU 116 1HB GLU 116 9.706 -2.438 9.007 894 1HG GLU 116 2HG GLU 116 10.294 -1.855 6.609 895 2HG GLU 116 1HG GLU 116 9.669 -0.244 6.964 896 H ARG 117 H ARG 117 6.303 -1.656 9.533 897 HA ARG 117 HA ARG 117 6.368 -3.838 11.293 898 1HB ARG 117 2HB ARG 117 4.211 -1.769 10.846 899 2HB ARG 117 1HB ARG 117 4.241 -2.896 12.196 900 1HG ARG 117 2HG ARG 117 6.205 -1.911 13.090 901 2HG ARG 117 1HG ARG 117 6.460 -0.950 11.633 902 1HD ARG 117 2HD ARG 117 5.559 0.479 13.328 903 2HD ARG 117 1HD ARG 117 4.318 0.221 12.105 904 HE ARG 117 HE ARG 117 4.349 -0.899 14.816 905 1HH1 ARG 117 1HH1 ARG 117 2.683 -0.418 11.783 906 2HH1 ARG 117 2HH1 ARG 117 1.143 -0.887 12.414 907 1HH2 ARG 117 1HH2 ARG 117 2.324 -1.519 15.640 908 2HH2 ARG 117 2HH2 ARG 117 0.938 -1.513 14.601 909 H ALA 118 H ALA 118 4.671 -3.315 8.344 910 HA ALA 118 HA ALA 118 2.654 -5.277 8.731 911 1HB ALA 118 1HB ALA 118 2.409 -5.027 6.206 912 2HB ALA 118 2HB ALA 118 3.659 -3.787 6.335 913 3HB ALA 118 3HB ALA 118 2.132 -3.589 7.192 914 H ILE 119 H ILE 119 5.842 -5.289 7.171 915 HA ILE 119 HA ILE 119 5.588 -7.976 6.234 916 HB ILE 119 HB ILE 119 8.168 -6.492 6.668 917 1HG1 ILE 119 2HG1 ILE 119 6.951 -6.459 3.977 918 2HG1 ILE 119 1HG1 ILE 119 6.169 -5.438 5.184 919 1HG2 ILE 119 1HG2 ILE 119 8.864 -7.866 4.688 920 2HG2 ILE 119 2HG2 ILE 119 7.348 -8.753 4.859 921 3HG2 ILE 119 3HG2 ILE 119 8.537 -8.781 6.160 922 1HD1 ILE 119 1HD1 ILE 119 9.127 -5.352 4.798 923 2HD1 ILE 119 2HD1 ILE 119 8.049 -4.134 5.482 924 3HD1 ILE 119 3HD1 ILE 119 8.046 -4.438 3.745 925 H SER 120 H SER 120 6.751 -6.410 9.089 926 HA SER 120 HA SER 120 8.264 -8.531 10.166 927 1HB SER 120 2HB SER 120 8.228 -7.269 12.236 928 2HB SER 120 1HB SER 120 8.445 -6.158 10.883 929 HG SER 120 HG SER 120 6.141 -6.615 12.444 930 H HIS 121 H HIS 121 4.885 -7.549 10.620 931 HA HIS 121 HA HIS 121 4.299 -9.487 12.593 932 1HB HIS 121 2HB HIS 121 2.698 -7.699 10.826 933 2HB HIS 121 1HB HIS 121 1.870 -9.038 11.619 934 HD1 HIS 121 1HD HIS 121 3.522 -5.765 12.312 935 HD2 HIS 121 2HD HIS 121 1.632 -8.810 14.414 936 HE1 HIS 121 1HE HIS 121 3.102 -4.835 14.611 937 HE2 HIS 121 2HE HIS 121 2.031 -6.724 15.889 938 H TYR 122 H TYR 122 4.571 -9.638 9.172 939 HA TYR 122 HA TYR 122 3.037 -12.026 8.828 940 1HB TYR 122 2HB TYR 122 4.288 -10.098 7.140 941 2HB TYR 122 1HB TYR 122 4.856 -11.697 6.678 942 HD1 TYR 122 1HD TYR 122 2.631 -13.444 6.960 943 HD2 TYR 122 2HD TYR 122 2.645 -9.383 5.692 944 HE1 TYR 122 1HE TYR 122 0.544 -13.831 5.718 945 HE2 TYR 122 2HE TYR 122 0.559 -9.761 4.447 946 HH TYR 122 HH TYR 122 -1.485 -12.026 4.921 947 H GLN 123 H GLN 123 6.503 -11.252 8.788 948 HA GLN 123 HA GLN 123 7.281 -13.992 8.628 949 1HB GLN 123 2HB GLN 123 9.577 -13.125 8.939 950 2HB GLN 123 1HB GLN 123 8.709 -12.298 7.657 951 1HG GLN 123 2HG GLN 123 8.183 -10.496 9.336 952 2HG GLN 123 1HG GLN 123 9.328 -11.290 10.413 953 1HE2 GLN 123 1HE2 GLN 123 9.013 -8.851 8.292 954 2HE2 GLN 123 2HE2 GLN 123 10.647 -8.691 7.758 955 H GLU 124 H GLU 124 9.270 -14.412 10.372 956 HA GLU 124 HA GLU 124 9.745 -15.110 12.485 957 1HB GLU 124 2HB GLU 124 7.884 -12.913 13.403 958 2HB GLU 124 1HB GLU 124 9.134 -13.702 14.352 959 1HG GLU 124 2HG GLU 124 9.860 -12.261 11.846 960 2HG GLU 124 1HG GLU 124 9.558 -11.357 13.328 Start of MODEL 19 1 1H MET 1 1HT MET 1 7.425 -18.084 2.855 2 2H MET 1 2HT MET 1 8.688 -19.243 2.816 3 3H MET 1 3HT MET 1 8.183 -18.475 1.370 4 HA MET 1 HA MET 1 8.873 -16.556 3.296 5 1HB MET 1 2HB MET 1 10.419 -18.932 3.422 6 2HB MET 1 1HB MET 1 11.404 -17.728 2.606 7 1HG MET 1 2HG MET 1 10.024 -16.784 5.016 8 2HG MET 1 1HG MET 1 11.246 -18.027 5.282 9 1HE MET 1 1HE MET 1 12.381 -14.682 6.456 10 2HE MET 1 2HE MET 1 13.613 -15.943 6.402 11 3HE MET 1 3HE MET 1 11.949 -16.352 6.822 12 H GLN 2 H GLN 2 9.337 -14.796 2.146 13 HA GLN 2 HA GLN 2 10.240 -15.148 -0.636 14 1HB GLN 2 2HB GLN 2 7.960 -13.698 0.456 15 2HB GLN 2 1HB GLN 2 8.986 -12.667 -0.529 16 1HG GLN 2 2HG GLN 2 8.510 -13.782 -2.448 17 2HG GLN 2 1HG GLN 2 8.254 -15.319 -1.626 18 1HE2 GLN 2 1HE2 GLN 2 6.769 -12.905 -3.264 19 2HE2 GLN 2 2HE2 GLN 2 5.152 -13.104 -2.685 20 H ARG 3 H ARG 3 11.442 -13.285 -1.511 21 HA ARG 3 HA ARG 3 13.529 -12.504 0.240 22 1HB ARG 3 2HB ARG 3 14.359 -11.203 -1.686 23 2HB ARG 3 1HB ARG 3 13.957 -12.859 -2.119 24 1HG ARG 3 2HG ARG 3 11.625 -11.368 -2.555 25 2HG ARG 3 1HG ARG 3 12.953 -10.397 -3.195 26 1HD ARG 3 2HD ARG 3 13.661 -12.778 -4.172 27 2HD ARG 3 1HD ARG 3 11.920 -13.032 -4.074 28 HE ARG 3 HE ARG 3 11.962 -10.726 -5.344 29 1HH1 ARG 3 1HH1 ARG 3 13.995 -13.523 -5.851 30 2HH1 ARG 3 2HH1 ARG 3 14.233 -13.195 -7.533 31 1HH2 ARG 3 1HH2 ARG 3 12.288 -10.294 -7.556 32 2HH2 ARG 3 2HH2 ARG 3 13.269 -11.365 -8.500 33 H GLY 4 H GLY 4 10.450 -11.291 -0.047 34 1HA GLY 4 2HA GLY 4 9.597 -9.495 1.196 35 2HA GLY 4 1HA GLY 4 11.223 -8.840 1.323 36 H ILE 5 H ILE 5 8.472 -9.258 -0.842 37 HA ILE 5 HA ILE 5 9.556 -7.151 -2.576 38 HB ILE 5 HB ILE 5 7.161 -8.901 -3.123 39 1HG1 ILE 5 2HG1 ILE 5 9.084 -9.843 -4.789 40 2HG1 ILE 5 1HG1 ILE 5 10.058 -9.433 -3.380 41 1HG2 ILE 5 1HG2 ILE 5 8.612 -7.954 -5.420 42 2HG2 ILE 5 2HG2 ILE 5 8.136 -6.606 -4.387 43 3HG2 ILE 5 3HG2 ILE 5 6.917 -7.727 -4.992 44 1HD1 ILE 5 1HD1 ILE 5 9.427 -11.297 -2.384 45 2HD1 ILE 5 2HD1 ILE 5 8.495 -11.730 -3.817 46 3HD1 ILE 5 3HD1 ILE 5 7.733 -10.823 -2.510 47 H VAL 6 H VAL 6 8.930 -5.169 -2.055 48 HA VAL 6 HA VAL 6 6.223 -4.770 -0.975 49 HB VAL 6 HB VAL 6 7.910 -3.922 0.528 50 1HG1 VAL 6 1HG1 VAL 6 8.916 -2.049 -1.585 51 2HG1 VAL 6 2HG1 VAL 6 9.610 -3.654 -1.372 52 3HG1 VAL 6 3HG1 VAL 6 9.661 -2.500 -0.053 53 1HG2 VAL 6 1HG2 VAL 6 5.790 -2.481 -0.354 54 2HG2 VAL 6 2HG2 VAL 6 7.106 -1.335 -0.607 55 3HG2 VAL 6 3HG2 VAL 6 6.821 -2.012 0.996 56 H TRP 7 H TRP 7 4.737 -3.778 -2.178 57 HA TRP 7 HA TRP 7 5.656 -2.315 -4.563 58 1HB TRP 7 2HB TRP 7 3.200 -3.998 -4.100 59 2HB TRP 7 1HB TRP 7 3.286 -2.831 -5.417 60 HD1 TRP 7 HD1 TRP 7 6.627 -4.299 -4.940 61 HE1 TRP 7 1HE TRP 7 7.098 -6.118 -6.688 62 HE3 TRP 7 3HE TRP 7 1.877 -4.949 -6.740 63 HZ2 TRP 7 2HZ TRP 7 5.655 -7.641 -8.566 64 HZ3 TRP 7 3HZ TRP 7 1.519 -6.615 -8.513 65 HH2 TRP 7 HH2 TRP 7 3.366 -7.931 -9.407 66 H VAL 8 H VAL 8 4.985 -0.267 -4.892 67 HA VAL 8 HA VAL 8 3.106 0.878 -2.925 68 HB VAL 8 HB VAL 8 5.029 2.795 -3.999 69 1HG1 VAL 8 1HG1 VAL 8 4.235 2.018 -1.200 70 2HG1 VAL 8 2HG1 VAL 8 3.556 3.329 -2.166 71 3HG1 VAL 8 3HG1 VAL 8 5.234 3.407 -1.626 72 1HG2 VAL 8 1HG2 VAL 8 6.047 0.337 -2.649 73 2HG2 VAL 8 2HG2 VAL 8 6.819 1.890 -2.319 74 3HG2 VAL 8 3HG2 VAL 8 6.747 1.274 -3.972 75 H VAL 9 H VAL 9 1.568 2.285 -3.693 76 HA VAL 9 HA VAL 9 1.654 2.847 -6.585 77 HB VAL 9 HB VAL 9 -1.017 3.117 -5.469 78 1HG1 VAL 9 1HG1 VAL 9 -0.914 3.028 -7.766 79 2HG1 VAL 9 2HG1 VAL 9 -1.320 1.346 -7.408 80 3HG1 VAL 9 3HG1 VAL 9 0.337 1.802 -7.760 81 1HG2 VAL 9 1HG2 VAL 9 0.432 0.529 -5.054 82 2HG2 VAL 9 2HG2 VAL 9 -1.292 0.534 -5.421 83 3HG2 VAL 9 3HG2 VAL 9 -0.696 1.361 -3.988 84 H ASP 10 H ASP 10 2.357 4.849 -6.797 85 HA ASP 10 HA ASP 10 0.810 7.063 -5.990 86 1HB ASP 10 2HB ASP 10 2.159 6.281 -3.859 87 2HB ASP 10 1HB ASP 10 3.465 7.150 -4.653 88 H ASP 11 H ASP 11 0.999 8.325 -7.630 89 HA ASP 11 HA ASP 11 1.756 9.328 -9.513 90 1HB ASP 11 2HB ASP 11 3.273 10.175 -7.301 91 2HB ASP 11 1HB ASP 11 4.417 9.989 -8.625 92 H ASP 12 H ASP 12 5.003 8.309 -8.586 93 HA ASP 12 HA ASP 12 5.331 6.003 -10.029 94 1HB ASP 12 2HB ASP 12 4.563 7.654 -11.913 95 2HB ASP 12 1HB ASP 12 6.213 8.244 -11.829 96 H SER 13 H SER 13 7.805 7.409 -11.471 97 HA SER 13 HA SER 13 9.834 6.566 -9.942 98 1HB SER 13 2HB SER 13 9.750 9.070 -11.612 99 2HB SER 13 1HB SER 13 11.235 8.348 -10.994 100 HG SER 13 HG SER 13 11.101 7.357 -12.873 101 H SER 14 H SER 14 8.235 9.658 -9.607 102 HA SER 14 HA SER 14 9.884 10.887 -7.749 103 1HB SER 14 2HB SER 14 6.898 11.028 -8.170 104 2HB SER 14 1HB SER 14 7.715 12.020 -6.965 105 HG SER 14 HG SER 14 9.131 12.497 -8.983 106 H ILE 15 H ILE 15 6.867 9.132 -6.936 107 HA ILE 15 HA ILE 15 7.580 8.974 -4.194 108 HB ILE 15 HB ILE 15 5.503 7.257 -5.561 109 1HG1 ILE 15 2HG1 ILE 15 5.213 9.702 -6.060 110 2HG1 ILE 15 1HG1 ILE 15 3.887 8.994 -5.148 111 1HG2 ILE 15 1HG2 ILE 15 4.574 6.964 -3.419 112 2HG2 ILE 15 2HG2 ILE 15 5.491 8.302 -2.741 113 3HG2 ILE 15 3HG2 ILE 15 6.308 6.802 -3.167 114 1HD1 ILE 15 1HD1 ILE 15 4.254 11.041 -4.122 115 2HD1 ILE 15 2HD1 ILE 15 6.008 10.881 -4.216 116 3HD1 ILE 15 3HD1 ILE 15 5.093 9.895 -3.077 117 H ARG 16 H ARG 16 8.347 7.102 -6.956 118 HA ARG 16 HA ARG 16 8.866 4.621 -5.668 119 1HB ARG 16 2HB ARG 16 8.529 4.847 -8.116 120 2HB ARG 16 1HB ARG 16 10.056 5.707 -8.226 121 1HG ARG 16 2HG ARG 16 10.942 3.507 -7.031 122 2HG ARG 16 1HG ARG 16 9.531 2.818 -7.835 123 1HD ARG 16 2HD ARG 16 10.614 4.322 -9.827 124 2HD ARG 16 1HD ARG 16 12.055 3.799 -8.956 125 HE ARG 16 HE ARG 16 10.086 1.769 -9.685 126 1HH1 ARG 16 1HH1 ARG 16 13.187 3.258 -10.306 127 2HH1 ARG 16 2HH1 ARG 16 13.781 1.919 -11.227 128 1HH2 ARG 16 1HH2 ARG 16 10.878 0.006 -10.881 129 2HH2 ARG 16 2HH2 ARG 16 12.477 0.071 -11.545 130 H TRP 17 H TRP 17 11.054 7.176 -6.838 131 HA TRP 17 HA TRP 17 13.437 6.141 -5.903 132 1HB TRP 17 2HB TRP 17 13.295 8.080 -7.401 133 2HB TRP 17 1HB TRP 17 12.662 9.058 -6.080 134 HD1 TRP 17 HD1 TRP 17 15.910 7.353 -7.241 135 HE1 TRP 17 1HE TRP 17 17.887 8.455 -6.014 136 HE3 TRP 17 3HE TRP 17 13.299 10.370 -4.056 137 HZ2 TRP 17 2HZ TRP 17 18.285 10.353 -3.960 138 HZ3 TRP 17 3HZ TRP 17 14.549 11.796 -2.483 139 HH2 TRP 17 HH2 TRP 17 16.993 11.787 -2.441 140 H VAL 18 H VAL 18 11.158 8.264 -4.177 141 HA VAL 18 HA VAL 18 12.731 8.551 -1.865 142 HB VAL 18 HB VAL 18 9.738 8.638 -1.772 143 1HG1 VAL 18 1HG1 VAL 18 11.555 9.052 0.166 144 2HG1 VAL 18 2HG1 VAL 18 9.990 9.861 0.109 145 3HG1 VAL 18 3HG1 VAL 18 11.431 10.684 -0.486 146 1HG2 VAL 18 1HG2 VAL 18 11.537 10.326 -3.358 147 2HG2 VAL 18 2HG2 VAL 18 10.413 11.207 -2.325 148 3HG2 VAL 18 3HG2 VAL 18 9.804 10.055 -3.510 149 H LEU 19 H LEU 19 10.121 6.297 -2.585 150 HA LEU 19 HA LEU 19 10.347 5.061 -0.011 151 1HB LEU 19 2HB LEU 19 8.286 5.340 -1.711 152 2HB LEU 19 1HB LEU 19 8.791 3.711 -2.115 153 HG LEU 19 HG LEU 19 7.007 3.718 -0.439 154 1HD1 LEU 19 1HD1 LEU 19 7.859 1.947 0.655 155 2HD1 LEU 19 2HD1 LEU 19 9.295 2.825 1.181 156 3HD1 LEU 19 3HD1 LEU 19 9.211 2.174 -0.454 157 1HD2 LEU 19 1HD2 LEU 19 7.302 4.635 1.740 158 2HD2 LEU 19 2HD2 LEU 19 7.675 5.906 0.575 159 3HD2 LEU 19 3HD2 LEU 19 8.980 5.055 1.400 160 H GLU 20 H GLU 20 11.592 4.403 -3.183 161 HA GLU 20 HA GLU 20 12.090 1.660 -2.805 162 1HB GLU 20 2HB GLU 20 13.625 1.859 -4.717 163 2HB GLU 20 1HB GLU 20 12.049 2.571 -5.019 164 1HG GLU 20 2HG GLU 20 13.216 4.271 -5.832 165 2HG GLU 20 1HG GLU 20 13.427 4.717 -4.144 166 H ARG 21 H ARG 21 14.451 4.354 -2.733 167 HA ARG 21 HA ARG 21 16.614 2.905 -1.832 168 1HB ARG 21 2HB ARG 21 15.822 5.776 -1.505 169 2HB ARG 21 1HB ARG 21 17.274 5.168 -0.724 170 1HG ARG 21 2HG ARG 21 16.869 4.672 -3.628 171 2HG ARG 21 1HG ARG 21 17.393 6.265 -3.085 172 1HD ARG 21 2HD ARG 21 18.767 3.628 -2.584 173 2HD ARG 21 1HD ARG 21 19.328 4.932 -3.630 174 HE ARG 21 HE ARG 21 19.547 4.784 -0.758 175 1HH1 ARG 21 1HH1 ARG 21 19.560 6.893 -3.540 176 2HH1 ARG 21 2HH1 ARG 21 20.479 8.131 -2.752 177 1HH2 ARG 21 1HH2 ARG 21 20.757 6.412 0.278 178 2HH2 ARG 21 2HH2 ARG 21 21.159 7.859 -0.586 179 H ALA 22 H ALA 22 14.563 4.938 0.274 180 HA ALA 22 HA ALA 22 15.590 4.153 2.692 181 1HB ALA 22 1HB ALA 22 12.787 4.456 3.036 182 2HB ALA 22 2HB ALA 22 13.327 5.591 1.798 183 3HB ALA 22 3HB ALA 22 14.073 5.608 3.398 184 H LEU 23 H LEU 23 12.786 2.722 1.101 185 HA LEU 23 HA LEU 23 12.514 0.628 2.986 186 1HB LEU 23 2HB LEU 23 10.722 1.464 1.441 187 2HB LEU 23 1HB LEU 23 11.547 0.640 0.137 188 HG LEU 23 HG LEU 23 11.048 -1.492 1.011 189 1HD1 LEU 23 1HD1 LEU 23 9.808 -1.650 3.258 190 2HD1 LEU 23 2HD1 LEU 23 10.444 -0.030 3.560 191 3HD1 LEU 23 3HD1 LEU 23 11.550 -1.374 3.285 192 1HD2 LEU 23 1HD2 LEU 23 8.609 -1.466 1.304 193 2HD2 LEU 23 2HD2 LEU 23 9.142 -0.485 -0.062 194 3HD2 LEU 23 3HD2 LEU 23 8.659 0.293 1.447 195 H ALA 24 H ALA 24 14.651 1.142 0.371 196 HA ALA 24 HA ALA 24 15.244 -1.577 -0.215 197 1HB ALA 24 1HB ALA 24 17.518 0.012 -0.752 198 2HB ALA 24 2HB ALA 24 16.106 0.990 -1.137 199 3HB ALA 24 3HB ALA 24 16.317 -0.585 -1.897 200 H GLY 25 H GLY 25 16.396 0.849 2.055 201 1HA GLY 25 2HA GLY 25 18.694 -0.448 3.007 202 2HA GLY 25 1HA GLY 25 17.695 0.660 3.941 203 H ALA 26 H ALA 26 15.314 -1.053 3.548 204 HA ALA 26 HA ALA 26 15.712 -2.744 5.821 205 1HB ALA 26 1HB ALA 26 13.250 -3.395 5.125 206 2HB ALA 26 2HB ALA 26 13.387 -1.925 4.159 207 3HB ALA 26 3HB ALA 26 13.607 -1.856 5.907 208 H GLY 27 H GLY 27 16.035 -3.086 2.449 209 1HA GLY 27 2HA GLY 27 17.023 -4.962 1.442 210 2HA GLY 27 1HA GLY 27 16.493 -5.942 2.797 211 H LEU 28 H LEU 28 14.192 -3.855 1.095 212 HA LEU 28 HA LEU 28 13.058 -6.317 -0.025 213 1HB LEU 28 2HB LEU 28 11.308 -3.970 0.394 214 2HB LEU 28 1HB LEU 28 10.931 -5.677 0.484 215 HG LEU 28 HG LEU 28 12.489 -5.506 2.638 216 1HD1 LEU 28 1HD1 LEU 28 11.531 -3.240 3.644 217 2HD1 LEU 28 2HD1 LEU 28 11.753 -2.770 1.959 218 3HD1 LEU 28 3HD1 LEU 28 13.117 -3.387 2.883 219 1HD2 LEU 28 1HD2 LEU 28 10.584 -5.892 3.776 220 2HD2 LEU 28 2HD2 LEU 28 9.865 -5.925 2.166 221 3HD2 LEU 28 3HD2 LEU 28 9.794 -4.451 3.132 222 H THR 29 H THR 29 11.629 -6.005 -1.923 223 HA THR 29 HA THR 29 12.941 -4.243 -3.854 224 HB THR 29 HB THR 29 11.055 -6.585 -4.171 225 HG1 THR 29 1HG THR 29 12.898 -7.469 -5.215 226 1HG2 THR 29 1HG2 THR 29 10.425 -5.675 -6.112 227 2HG2 THR 29 2HG2 THR 29 12.029 -6.163 -6.664 228 3HG2 THR 29 3HG2 THR 29 11.749 -4.511 -6.114 229 H CYS 30 H CYS 30 12.064 -2.337 -4.272 230 HA CYS 30 HA CYS 30 9.208 -1.966 -3.715 231 1HB CYS 30 2HB CYS 30 11.138 0.295 -4.051 232 2HB CYS 30 1HB CYS 30 9.638 0.240 -3.131 233 HG CYS 30 HG CYS 30 11.667 -1.601 -1.899 234 H THR 31 H THR 31 7.887 -1.835 -5.366 235 HA THR 31 HA THR 31 8.841 -0.592 -7.856 236 HB THR 31 HB THR 31 8.414 -3.161 -7.927 237 HG1 THR 31 1HG THR 31 8.458 -1.559 -9.742 238 1HG2 THR 31 1HG2 THR 31 5.616 -2.576 -8.561 239 2HG2 THR 31 2HG2 THR 31 6.014 -2.637 -6.844 240 3HG2 THR 31 3HG2 THR 31 6.352 -4.021 -7.885 241 H THR 32 H THR 32 7.441 0.941 -8.744 242 HA THR 32 HA THR 32 5.098 1.521 -7.083 243 HB THR 32 HB THR 32 5.414 3.892 -7.689 244 HG1 THR 32 1HG THR 32 7.824 2.958 -8.852 245 1HG2 THR 32 1HG2 THR 32 8.083 3.215 -6.704 246 2HG2 THR 32 2HG2 THR 32 6.754 2.508 -5.792 247 3HG2 THR 32 3HG2 THR 32 6.844 4.259 -6.011 248 H PHE 33 H PHE 33 3.346 2.700 -8.069 249 HA PHE 33 HA PHE 33 2.992 2.152 -10.917 250 1HB PHE 33 2HB PHE 33 0.996 1.424 -8.795 251 2HB PHE 33 1HB PHE 33 0.783 1.232 -10.520 252 HD1 PHE 33 1HD PHE 33 1.323 -0.814 -11.492 253 HD2 PHE 33 2HD PHE 33 3.059 0.247 -7.759 254 HE1 PHE 33 1HE PHE 33 2.347 -3.033 -11.343 255 HE2 PHE 33 2HE PHE 33 4.092 -1.970 -7.607 256 HZ PHE 33 HZ PHE 33 3.727 -3.629 -9.405 257 H GLU 34 H GLU 34 0.777 3.097 -11.635 258 HA GLU 34 HA GLU 34 0.994 5.871 -11.462 259 1HB GLU 34 2HB GLU 34 -0.986 5.963 -12.813 260 2HB GLU 34 1HB GLU 34 0.000 4.609 -13.348 261 1HG GLU 34 2HG GLU 34 -1.619 3.389 -11.551 262 2HG GLU 34 1HG GLU 34 -2.686 4.647 -12.165 263 H ASN 35 H ASN 35 -1.478 3.773 -9.863 264 HA ASN 35 HA ASN 35 -1.710 5.614 -7.720 265 1HB ASN 35 2HB ASN 35 -4.218 6.068 -8.186 266 2HB ASN 35 1HB ASN 35 -3.009 7.050 -9.007 267 1HD2 ASN 35 1HD2 ASN 35 -4.843 4.052 -9.412 268 2HD2 ASN 35 2HD2 ASN 35 -5.128 4.247 -11.104 269 H GLY 36 H GLY 36 -2.900 2.817 -9.393 270 1HA GLY 36 2HA GLY 36 -3.104 1.233 -7.126 271 2HA GLY 36 1HA GLY 36 -4.692 1.941 -7.368 272 H ASN 37 H ASN 37 -5.294 1.834 -9.882 273 HA ASN 37 HA ASN 37 -5.960 -0.766 -10.449 274 1HB ASN 37 2HB ASN 37 -5.675 1.661 -12.173 275 2HB ASN 37 1HB ASN 37 -6.024 0.104 -12.922 276 1HD2 ASN 37 1HD2 ASN 37 -7.675 -1.058 -11.088 277 2HD2 ASN 37 2HD2 ASN 37 -9.136 -0.151 -10.945 278 H GLU 38 H GLU 38 -3.001 0.922 -11.257 279 HA GLU 38 HA GLU 38 -1.975 -0.945 -13.077 280 1HB GLU 38 2HB GLU 38 -1.110 1.434 -12.154 281 2HB GLU 38 1HB GLU 38 -0.065 0.354 -11.255 282 1HG GLU 38 2HG GLU 38 0.612 -0.700 -13.393 283 2HG GLU 38 1HG GLU 38 -0.330 0.525 -14.240 284 H VAL 39 H VAL 39 -1.323 -0.673 -9.505 285 HA VAL 39 HA VAL 39 0.208 -3.006 -9.317 286 HB VAL 39 HB VAL 39 -1.779 -2.259 -7.184 287 1HG1 VAL 39 1HG1 VAL 39 -0.046 -4.304 -7.274 288 2HG1 VAL 39 2HG1 VAL 39 -0.523 -3.499 -5.779 289 3HG1 VAL 39 3HG1 VAL 39 0.993 -3.064 -6.569 290 1HG2 VAL 39 1HG2 VAL 39 0.243 -0.579 -8.286 291 2HG2 VAL 39 2HG2 VAL 39 0.690 -1.018 -6.637 292 3HG2 VAL 39 3HG2 VAL 39 -0.867 -0.266 -6.963 293 H LEU 40 H LEU 40 -3.299 -2.608 -9.145 294 HA LEU 40 HA LEU 40 -4.014 -5.235 -8.549 295 1HB LEU 40 2HB LEU 40 -5.599 -3.432 -10.365 296 2HB LEU 40 1HB LEU 40 -6.204 -4.678 -9.289 297 HG LEU 40 HG LEU 40 -4.933 -2.093 -8.394 298 1HD1 LEU 40 1HD1 LEU 40 -6.932 -1.318 -9.125 299 2HD1 LEU 40 2HD1 LEU 40 -7.417 -1.878 -7.531 300 3HD1 LEU 40 3HD1 LEU 40 -7.729 -2.878 -8.949 301 1HD2 LEU 40 1HD2 LEU 40 -4.592 -3.868 -6.784 302 2HD2 LEU 40 2HD2 LEU 40 -6.308 -4.273 -6.838 303 3HD2 LEU 40 3HD2 LEU 40 -5.788 -2.720 -6.183 304 H ALA 41 H ALA 41 -3.433 -3.673 -11.672 305 HA ALA 41 HA ALA 41 -4.111 -5.947 -13.234 306 1HB ALA 41 1HB ALA 41 -4.151 -3.644 -14.116 307 2HB ALA 41 2HB ALA 41 -3.183 -4.737 -15.107 308 3HB ALA 41 3HB ALA 41 -2.390 -3.604 -14.013 309 H ALA 42 H ALA 42 -1.037 -4.529 -12.277 310 HA ALA 42 HA ALA 42 0.619 -6.474 -13.461 311 1HB ALA 42 1HB ALA 42 1.595 -5.164 -10.995 312 2HB ALA 42 2HB ALA 42 1.092 -4.098 -12.308 313 3HB ALA 42 3HB ALA 42 2.347 -5.302 -12.586 314 H LEU 43 H LEU 43 -1.150 -6.373 -10.484 315 HA LEU 43 HA LEU 43 0.248 -8.395 -9.100 316 1HB LEU 43 2HB LEU 43 -2.398 -7.068 -8.831 317 2HB LEU 43 1HB LEU 43 -2.136 -8.566 -7.956 318 HG LEU 43 HG LEU 43 -0.139 -6.360 -7.706 319 1HD1 LEU 43 1HD1 LEU 43 -2.334 -5.319 -7.356 320 2HD1 LEU 43 2HD1 LEU 43 -1.377 -5.384 -5.877 321 3HD1 LEU 43 3HD1 LEU 43 -2.691 -6.528 -6.133 322 1HD2 LEU 43 1HD2 LEU 43 -0.877 -8.844 -6.306 323 2HD2 LEU 43 2HD2 LEU 43 -0.427 -7.485 -5.277 324 3HD2 LEU 43 3HD2 LEU 43 0.695 -8.071 -6.505 325 H ALA 44 H ALA 44 -2.087 -8.490 -11.626 326 HA ALA 44 HA ALA 44 -3.234 -10.999 -11.212 327 1HB ALA 44 1HB ALA 44 -2.587 -9.808 -13.901 328 2HB ALA 44 2HB ALA 44 -3.949 -9.299 -12.903 329 3HB ALA 44 3HB ALA 44 -3.869 -10.954 -13.509 330 H SER 45 H SER 45 -0.015 -10.193 -12.006 331 HA SER 45 HA SER 45 0.517 -12.950 -12.805 332 1HB SER 45 2HB SER 45 1.385 -10.419 -13.940 333 2HB SER 45 1HB SER 45 2.747 -11.475 -13.564 334 HG SER 45 HG SER 45 1.994 -11.922 -15.636 335 H LYS 46 H LYS 46 0.828 -10.866 -10.242 336 HA LYS 46 HA LYS 46 2.624 -12.595 -8.880 337 1HB LYS 46 2HB LYS 46 4.014 -10.908 -10.400 338 2HB LYS 46 1HB LYS 46 3.752 -9.852 -9.020 339 1HG LYS 46 2HG LYS 46 4.643 -12.496 -8.228 340 2HG LYS 46 1HG LYS 46 5.783 -11.686 -9.305 341 1HD LYS 46 2HD LYS 46 5.272 -9.644 -7.690 342 2HD LYS 46 1HD LYS 46 4.904 -10.952 -6.563 343 1HE LYS 46 2HE LYS 46 7.381 -11.345 -8.065 344 2HE LYS 46 1HE LYS 46 7.393 -9.909 -7.042 345 1HZ LYS 46 1HZ LYS 46 7.108 -11.164 -5.137 346 2HZ LYS 46 2HZ LYS 46 8.144 -12.137 -6.052 347 3HZ LYS 46 3HZ LYS 46 6.494 -12.504 -5.969 348 H THR 47 H THR 47 3.081 -11.863 -6.655 349 HA THR 47 HA THR 47 1.250 -9.833 -5.668 350 HB THR 47 HB THR 47 1.391 -12.673 -4.656 351 HG1 THR 47 1HG THR 47 -0.838 -11.195 -5.582 352 1HG2 THR 47 1HG2 THR 47 1.193 -10.948 -2.819 353 2HG2 THR 47 2HG2 THR 47 -0.095 -12.150 -2.917 354 3HG2 THR 47 3HG2 THR 47 -0.365 -10.519 -3.529 355 HA PRO 48 HA PRO 48 5.128 -9.047 -3.474 356 1HB PRO 48 2HB PRO 48 4.459 -6.612 -2.519 357 2HB PRO 48 1HB PRO 48 4.939 -6.862 -4.203 358 1HG PRO 48 2HG PRO 48 2.192 -6.608 -3.035 359 2HG PRO 48 1HG PRO 48 2.854 -5.863 -4.499 360 1HD PRO 48 2HD PRO 48 1.299 -8.078 -4.565 361 2HD PRO 48 1HD PRO 48 2.575 -7.771 -5.755 362 H ASP 49 H ASP 49 5.672 -8.609 -1.179 363 HA ASP 49 HA ASP 49 3.935 -10.082 0.549 364 1HB ASP 49 2HB ASP 49 6.534 -8.625 1.003 365 2HB ASP 49 1HB ASP 49 5.658 -9.410 2.314 366 H VAL 50 H VAL 50 4.392 -6.718 -0.146 367 HA VAL 50 HA VAL 50 2.262 -6.058 1.741 368 HB VAL 50 HB VAL 50 4.305 -5.613 3.004 369 1HG1 VAL 50 1HG1 VAL 50 5.202 -3.436 1.241 370 2HG1 VAL 50 2HG1 VAL 50 5.478 -5.073 0.647 371 3HG1 VAL 50 3HG1 VAL 50 6.139 -4.577 2.204 372 1HG2 VAL 50 1HG2 VAL 50 3.378 -2.897 2.174 373 2HG2 VAL 50 2HG2 VAL 50 3.727 -3.522 3.787 374 3HG2 VAL 50 3HG2 VAL 50 2.253 -4.009 2.954 375 H LEU 51 H LEU 51 1.458 -3.754 1.330 376 HA LEU 51 HA LEU 51 2.067 -2.685 -1.296 377 1HB LEU 51 2HB LEU 51 0.359 -4.544 -1.559 378 2HB LEU 51 1HB LEU 51 -0.756 -3.530 -0.669 379 HG LEU 51 HG LEU 51 -0.570 -1.809 -2.438 380 1HD1 LEU 51 1HD1 LEU 51 0.930 -3.872 -4.034 381 2HD1 LEU 51 2HD1 LEU 51 1.726 -2.558 -3.170 382 3HD1 LEU 51 3HD1 LEU 51 0.585 -2.197 -4.463 383 1HD2 LEU 51 1HD2 LEU 51 -2.103 -4.018 -2.418 384 2HD2 LEU 51 2HD2 LEU 51 -1.270 -4.246 -3.956 385 3HD2 LEU 51 3HD2 LEU 51 -2.204 -2.778 -3.668 386 H LEU 52 H LEU 52 1.841 -0.541 -1.360 387 HA LEU 52 HA LEU 52 0.389 0.782 0.843 388 1HB LEU 52 2HB LEU 52 3.052 0.945 0.327 389 2HB LEU 52 1HB LEU 52 2.457 2.296 -0.614 390 HG LEU 52 HG LEU 52 1.926 1.919 2.329 391 1HD1 LEU 52 1HD1 LEU 52 3.541 4.122 2.021 392 2HD1 LEU 52 2HD1 LEU 52 4.230 2.955 0.892 393 3HD1 LEU 52 3HD1 LEU 52 4.049 2.535 2.596 394 1HD2 LEU 52 1HD2 LEU 52 1.553 4.513 1.908 395 2HD2 LEU 52 2HD2 LEU 52 0.259 3.338 1.709 396 3HD2 LEU 52 3HD2 LEU 52 1.130 3.930 0.298 397 H SER 53 H SER 53 -1.047 2.414 0.349 398 HA SER 53 HA SER 53 -1.317 3.128 -2.495 399 1HB SER 53 2HB SER 53 -3.434 2.253 -0.558 400 2HB SER 53 1HB SER 53 -3.848 3.293 -1.918 401 HG SER 53 HG SER 53 -2.490 0.814 -2.155 402 H ASP 54 H ASP 54 -1.357 5.229 -2.919 403 HA ASP 54 HA ASP 54 -1.017 7.152 -0.858 404 1HB ASP 54 2HB ASP 54 -0.090 7.281 -3.202 405 2HB ASP 54 1HB ASP 54 -1.709 7.713 -3.741 406 H ILE 55 H ILE 55 -3.775 5.782 -2.292 407 HA ILE 55 HA ILE 55 -5.977 6.319 -2.348 408 HB ILE 55 HB ILE 55 -5.785 5.616 -0.058 409 1HG1 ILE 55 2HG1 ILE 55 -7.396 8.065 0.377 410 2HG1 ILE 55 1HG1 ILE 55 -7.847 7.070 -0.997 411 1HG2 ILE 55 1HG2 ILE 55 -4.858 8.420 0.435 412 2HG2 ILE 55 2HG2 ILE 55 -4.062 6.900 0.842 413 3HG2 ILE 55 3HG2 ILE 55 -5.502 7.407 1.723 414 1HD1 ILE 55 1HD1 ILE 55 -9.006 6.631 1.223 415 2HD1 ILE 55 2HD1 ILE 55 -7.489 5.898 1.728 416 3HD1 ILE 55 3HD1 ILE 55 -8.366 5.238 0.350 417 H ARG 56 H ARG 56 -5.513 7.970 -3.998 418 HA ARG 56 HA ARG 56 -7.033 10.255 -3.617 419 1HB ARG 56 2HB ARG 56 -5.288 12.030 -3.666 420 2HB ARG 56 1HB ARG 56 -5.309 11.116 -2.166 421 1HG ARG 56 2HG ARG 56 -3.415 9.759 -3.046 422 2HG ARG 56 1HG ARG 56 -3.347 10.851 -4.431 423 1HD ARG 56 2HD ARG 56 -3.398 12.370 -1.998 424 2HD ARG 56 1HD ARG 56 -2.116 11.163 -1.920 425 HE ARG 56 HE ARG 56 -1.887 12.355 -4.394 426 1HH1 ARG 56 1HH1 ARG 56 -1.746 13.377 -1.061 427 2HH1 ARG 56 2HH1 ARG 56 -0.653 14.683 -1.376 428 1HH2 ARG 56 1HH2 ARG 56 -0.439 14.066 -4.812 429 2HH2 ARG 56 2HH2 ARG 56 0.090 15.076 -3.508 430 H MET 57 H MET 57 -7.318 8.710 -5.615 431 HA MET 57 HA MET 57 -6.546 10.246 -7.906 432 1HB MET 57 2HB MET 57 -4.651 8.462 -7.249 433 2HB MET 57 1HB MET 57 -5.682 7.428 -8.221 434 1HG MET 57 2HG MET 57 -4.402 8.180 -9.890 435 2HG MET 57 1HG MET 57 -5.530 9.531 -9.856 436 1HE MET 57 1HE MET 57 -4.116 12.024 -7.722 437 2HE MET 57 2HE MET 57 -5.339 11.509 -8.884 438 3HE MET 57 3HE MET 57 -3.925 12.409 -9.433 439 HA PRO 58 HA PRO 58 -9.376 6.617 -9.473 440 1HB PRO 58 2HB PRO 58 -10.194 4.818 -7.580 441 2HB PRO 58 1HB PRO 58 -8.783 4.580 -8.617 442 1HG PRO 58 2HG PRO 58 -8.912 5.628 -5.809 443 2HG PRO 58 1HG PRO 58 -7.818 4.415 -6.499 444 1HD PRO 58 2HD PRO 58 -6.998 6.919 -6.159 445 2HD PRO 58 1HD PRO 58 -6.546 6.008 -7.611 446 H GLY 59 H GLY 59 -11.683 5.622 -8.522 447 1HA GLY 59 2HA GLY 59 -13.295 7.895 -8.145 448 2HA GLY 59 1HA GLY 59 -13.820 6.230 -7.966 449 H MET 60 H MET 60 -12.994 5.174 -5.848 450 HA MET 60 HA MET 60 -13.905 6.869 -3.702 451 1HB MET 60 2HB MET 60 -12.970 3.998 -3.732 452 2HB MET 60 1HB MET 60 -13.548 4.823 -2.295 453 1HG MET 60 2HG MET 60 -15.625 4.313 -2.819 454 2HG MET 60 1HG MET 60 -15.469 5.201 -4.334 455 1HE MET 60 1HE MET 60 -17.103 1.476 -4.799 456 2HE MET 60 2HE MET 60 -17.505 3.184 -4.983 457 3HE MET 60 3HE MET 60 -17.161 2.525 -3.383 458 H ASP 61 H ASP 61 -11.752 8.079 -4.606 459 HA ASP 61 HA ASP 61 -9.720 8.950 -4.091 460 1HB ASP 61 2HB ASP 61 -11.098 8.415 -1.615 461 2HB ASP 61 1HB ASP 61 -9.359 8.258 -1.388 462 H GLY 62 H GLY 62 -9.666 6.180 -1.875 463 1HA GLY 62 2HA GLY 62 -7.534 4.955 -3.473 464 2HA GLY 62 1HA GLY 62 -7.193 5.362 -1.803 465 H LEU 63 H LEU 63 -9.811 4.712 -0.807 466 HA LEU 63 HA LEU 63 -9.416 2.057 -0.120 467 1HB LEU 63 2HB LEU 63 -12.183 3.187 -0.224 468 2HB LEU 63 1HB LEU 63 -11.471 2.117 0.969 469 HG LEU 63 HG LEU 63 -9.945 4.289 1.381 470 1HD1 LEU 63 1HD1 LEU 63 -10.851 6.274 0.847 471 2HD1 LEU 63 2HD1 LEU 63 -12.505 5.701 1.047 472 3HD1 LEU 63 3HD1 LEU 63 -11.620 5.339 -0.432 473 1HD2 LEU 63 1HD2 LEU 63 -11.962 2.955 2.727 474 2HD2 LEU 63 2HD2 LEU 63 -12.451 4.645 2.774 475 3HD2 LEU 63 3HD2 LEU 63 -10.873 4.169 3.392 476 H ALA 64 H ALA 64 -10.767 3.444 -2.971 477 HA ALA 64 HA ALA 64 -12.383 1.398 -3.946 478 1HB ALA 64 1HB ALA 64 -10.662 3.466 -5.273 479 2HB ALA 64 2HB ALA 64 -12.419 3.341 -5.230 480 3HB ALA 64 3HB ALA 64 -11.486 2.241 -6.239 481 H LEU 65 H LEU 65 -8.891 1.750 -3.887 482 HA LEU 65 HA LEU 65 -8.150 -0.356 -5.580 483 1HB LEU 65 2HB LEU 65 -6.854 1.064 -3.291 484 2HB LEU 65 1HB LEU 65 -6.107 -0.397 -3.905 485 HG LEU 65 HG LEU 65 -5.856 0.612 -6.102 486 1HD1 LEU 65 1HD1 LEU 65 -6.959 3.157 -4.948 487 2HD1 LEU 65 2HD1 LEU 65 -7.944 2.023 -5.870 488 3HD1 LEU 65 3HD1 LEU 65 -6.554 2.802 -6.627 489 1HD2 LEU 65 1HD2 LEU 65 -4.094 0.952 -4.445 490 2HD2 LEU 65 2HD2 LEU 65 -4.894 2.422 -3.891 491 3HD2 LEU 65 3HD2 LEU 65 -4.234 2.341 -5.521 492 H LEU 66 H LEU 66 -8.411 -0.300 -2.035 493 HA LEU 66 HA LEU 66 -7.846 -2.883 -1.392 494 1HB LEU 66 2HB LEU 66 -10.128 -1.303 -0.208 495 2HB LEU 66 1HB LEU 66 -9.267 -2.627 0.557 496 HG LEU 66 HG LEU 66 -7.853 -0.094 -0.243 497 1HD1 LEU 66 1HD1 LEU 66 -9.932 -0.028 1.482 498 2HD1 LEU 66 2HD1 LEU 66 -8.525 1.032 1.573 499 3HD1 LEU 66 3HD1 LEU 66 -8.604 -0.417 2.576 500 1HD2 LEU 66 1HD2 LEU 66 -7.268 -2.424 1.543 501 2HD2 LEU 66 2HD2 LEU 66 -6.452 -0.876 1.765 502 3HD2 LEU 66 3HD2 LEU 66 -6.293 -1.747 0.240 503 H LYS 67 H LYS 67 -10.923 -1.639 -2.605 504 HA LYS 67 HA LYS 67 -12.436 -3.978 -2.395 505 1HB LYS 67 2HB LYS 67 -12.582 -1.674 -4.340 506 2HB LYS 67 1HB LYS 67 -13.749 -2.988 -4.342 507 1HG LYS 67 2HG LYS 67 -14.553 -2.419 -2.204 508 2HG LYS 67 1HG LYS 67 -13.186 -1.347 -1.894 509 1HD LYS 67 2HD LYS 67 -14.225 0.378 -2.849 510 2HD LYS 67 1HD LYS 67 -14.597 -0.567 -4.292 511 1HE LYS 67 2HE LYS 67 -16.692 0.031 -3.458 512 2HE LYS 67 1HE LYS 67 -16.463 -1.619 -2.883 513 1HZ LYS 67 1HZ LYS 67 -15.669 -0.647 -0.757 514 2HZ LYS 67 2HZ LYS 67 -17.293 -0.314 -1.095 515 3HZ LYS 67 3HZ LYS 67 -16.120 0.883 -1.325 516 H GLN 68 H GLN 68 -10.421 -2.778 -5.070 517 HA GLN 68 HA GLN 68 -10.879 -4.996 -6.769 518 1HB GLN 68 2HB GLN 68 -8.652 -2.962 -6.693 519 2HB GLN 68 1HB GLN 68 -8.819 -4.172 -7.956 520 1HG GLN 68 2HG GLN 68 -10.785 -1.987 -7.312 521 2HG GLN 68 1HG GLN 68 -9.684 -2.036 -8.690 522 1HE2 GLN 68 1HE2 GLN 68 -10.544 -2.684 -10.510 523 2HE2 GLN 68 2HE2 GLN 68 -11.919 -3.714 -10.688 524 H ILE 69 H ILE 69 -8.642 -4.343 -4.180 525 HA ILE 69 HA ILE 69 -6.756 -6.355 -4.729 526 HB ILE 69 HB ILE 69 -7.505 -5.093 -2.096 527 1HG1 ILE 69 2HG1 ILE 69 -5.083 -4.545 -3.804 528 2HG1 ILE 69 1HG1 ILE 69 -6.584 -3.645 -3.991 529 1HG2 ILE 69 1HG2 ILE 69 -5.374 -5.917 -1.250 530 2HG2 ILE 69 2HG2 ILE 69 -5.069 -6.725 -2.779 531 3HG2 ILE 69 3HG2 ILE 69 -6.397 -7.253 -1.765 532 1HD1 ILE 69 1HD1 ILE 69 -4.469 -3.232 -2.143 533 2HD1 ILE 69 2HD1 ILE 69 -5.935 -3.631 -1.246 534 3HD1 ILE 69 3HD1 ILE 69 -5.936 -2.282 -2.382 535 H LYS 70 H LYS 70 -9.631 -6.320 -2.709 536 HA LYS 70 HA LYS 70 -9.340 -8.929 -1.707 537 1HB LYS 70 2HB LYS 70 -11.664 -8.756 -0.999 538 2HB LYS 70 1HB LYS 70 -10.794 -7.272 -0.641 539 1HG LYS 70 2HG LYS 70 -11.864 -6.100 -2.355 540 2HG LYS 70 1HG LYS 70 -12.439 -7.578 -3.126 541 1HD LYS 70 2HD LYS 70 -13.335 -7.284 -0.365 542 2HD LYS 70 1HD LYS 70 -13.888 -5.982 -1.419 543 1HE LYS 70 2HE LYS 70 -14.712 -7.707 -3.009 544 2HE LYS 70 1HE LYS 70 -14.279 -8.942 -1.829 545 1HZ LYS 70 1HZ LYS 70 -16.192 -6.729 -1.316 546 2HZ LYS 70 2HZ LYS 70 -15.849 -8.029 -0.288 547 3HZ LYS 70 3HZ LYS 70 -16.641 -8.300 -1.757 548 H GLN 71 H GLN 71 -10.644 -7.690 -4.664 549 HA GLN 71 HA GLN 71 -12.050 -10.044 -5.417 550 1HB GLN 71 2HB GLN 71 -11.346 -7.473 -6.676 551 2HB GLN 71 1HB GLN 71 -11.585 -8.820 -7.782 552 1HG GLN 71 2HG GLN 71 -13.805 -8.980 -7.330 553 2HG GLN 71 1HG GLN 71 -13.628 -8.381 -5.682 554 1HE2 GLN 71 1HE2 GLN 71 -12.880 -6.043 -5.579 555 2HE2 GLN 71 2HE2 GLN 71 -13.663 -4.945 -6.659 556 H ARG 72 H ARG 72 -8.835 -8.812 -5.940 557 HA ARG 72 HA ARG 72 -8.129 -11.121 -7.581 558 1HB ARG 72 2HB ARG 72 -6.855 -8.470 -7.054 559 2HB ARG 72 1HB ARG 72 -5.870 -9.802 -7.642 560 1HG ARG 72 2HG ARG 72 -6.624 -9.564 -9.716 561 2HG ARG 72 1HG ARG 72 -8.304 -9.500 -9.181 562 1HD ARG 72 2HD ARG 72 -6.743 -7.099 -8.562 563 2HD ARG 72 1HD ARG 72 -6.925 -7.420 -10.285 564 HE ARG 72 HE ARG 72 -8.895 -6.379 -8.589 565 1HH1 ARG 72 1HH1 ARG 72 -8.538 -8.778 -11.104 566 2HH1 ARG 72 2HH1 ARG 72 -10.185 -8.659 -11.620 567 1HH2 ARG 72 1HH2 ARG 72 -11.053 -6.214 -9.277 568 2HH2 ARG 72 2HH2 ARG 72 -11.616 -7.207 -10.578 569 H HIS 73 H HIS 73 -6.385 -9.347 -5.099 570 HA HIS 73 HA HIS 73 -5.548 -11.915 -3.931 571 1HB HIS 73 2HB HIS 73 -3.471 -10.753 -3.215 572 2HB HIS 73 1HB HIS 73 -3.654 -10.835 -4.966 573 HD1 HIS 73 1HD HIS 73 -2.406 -8.636 -2.659 574 HD2 HIS 73 2HD HIS 73 -5.147 -8.131 -5.711 575 HE1 HIS 73 1HE HIS 73 -2.397 -6.178 -3.149 576 HE2 HIS 73 2HE HIS 73 -4.141 -5.883 -4.939 577 HA PRO 74 HA PRO 74 -7.806 -9.626 -0.610 578 1HB PRO 74 2HB PRO 74 -9.335 -11.669 0.230 579 2HB PRO 74 1HB PRO 74 -9.775 -10.690 -1.174 580 1HG PRO 74 2HG PRO 74 -8.475 -13.384 -1.080 581 2HG PRO 74 1HG PRO 74 -9.774 -12.805 -2.140 582 1HD PRO 74 2HD PRO 74 -7.155 -12.951 -2.907 583 2HD PRO 74 1HD PRO 74 -8.309 -11.783 -3.580 584 H MET 75 H MET 75 -5.219 -10.278 -0.197 585 HA MET 75 HA MET 75 -5.279 -11.364 2.474 586 1HB MET 75 2HB MET 75 -3.427 -12.645 0.473 587 2HB MET 75 1HB MET 75 -3.688 -13.118 2.146 588 1HG MET 75 2HG MET 75 -5.981 -13.770 1.601 589 2HG MET 75 1HG MET 75 -5.706 -13.312 -0.079 590 1HE MET 75 1HE MET 75 -6.021 -17.252 0.395 591 2HE MET 75 2HE MET 75 -6.313 -16.165 -0.961 592 3HE MET 75 3HE MET 75 -6.937 -15.765 0.638 593 H LEU 76 H LEU 76 -3.305 -10.191 -0.169 594 HA LEU 76 HA LEU 76 -0.990 -9.474 1.157 595 1HB LEU 76 2HB LEU 76 -1.903 -9.275 -1.353 596 2HB LEU 76 1HB LEU 76 -2.000 -7.590 -0.880 597 HG LEU 76 HG LEU 76 0.515 -9.221 -0.618 598 1HD1 LEU 76 1HD1 LEU 76 1.035 -8.895 -2.770 599 2HD1 LEU 76 2HD1 LEU 76 0.389 -7.256 -2.771 600 3HD1 LEU 76 3HD1 LEU 76 -0.690 -8.628 -3.004 601 1HD2 LEU 76 1HD2 LEU 76 0.084 -6.247 -0.748 602 2HD2 LEU 76 2HD2 LEU 76 1.589 -7.096 -0.396 603 3HD2 LEU 76 3HD2 LEU 76 0.251 -7.159 0.748 604 HA PRO 77 HA PRO 77 -2.451 -6.358 4.022 605 1HB PRO 77 2HB PRO 77 0.401 -5.616 4.186 606 2HB PRO 77 1HB PRO 77 -0.703 -6.138 5.462 607 1HG PRO 77 2HG PRO 77 1.248 -7.735 4.539 608 2HG PRO 77 1HG PRO 77 -0.319 -8.374 5.061 609 1HD PRO 77 2HD PRO 77 0.725 -7.930 2.305 610 2HD PRO 77 1HD PRO 77 -0.286 -9.247 2.932 611 H VAL 78 H VAL 78 -3.217 -4.394 3.586 612 HA VAL 78 HA VAL 78 -1.822 -2.750 1.575 613 HB VAL 78 HB VAL 78 -4.688 -2.349 2.404 614 1HG1 VAL 78 1HG1 VAL 78 -2.847 -1.154 0.482 615 2HG1 VAL 78 2HG1 VAL 78 -4.345 -0.521 1.168 616 3HG1 VAL 78 3HG1 VAL 78 -4.400 -1.607 -0.223 617 1HG2 VAL 78 1HG2 VAL 78 -5.495 -3.830 0.842 618 2HG2 VAL 78 2HG2 VAL 78 -4.072 -4.700 1.411 619 3HG2 VAL 78 3HG2 VAL 78 -4.011 -3.809 -0.109 620 H ILE 79 H ILE 79 -1.264 -0.687 2.040 621 HA ILE 79 HA ILE 79 -1.935 0.313 4.729 622 HB ILE 79 HB ILE 79 0.669 0.883 3.321 623 1HG1 ILE 79 2HG1 ILE 79 0.978 -0.813 5.626 624 2HG1 ILE 79 1HG1 ILE 79 -0.131 -1.573 4.491 625 1HG2 ILE 79 1HG2 ILE 79 0.774 1.050 6.163 626 2HG2 ILE 79 2HG2 ILE 79 -0.617 1.970 5.593 627 3HG2 ILE 79 3HG2 ILE 79 0.994 2.330 4.970 628 1HD1 ILE 79 1HD1 ILE 79 2.282 -0.461 3.269 629 2HD1 ILE 79 2HD1 ILE 79 1.490 -2.015 3.020 630 3HD1 ILE 79 3HD1 ILE 79 2.562 -1.784 4.401 631 H ILE 80 H ILE 80 -3.247 2.010 4.518 632 HA ILE 80 HA ILE 80 -2.966 3.732 2.158 633 HB ILE 80 HB ILE 80 -5.230 3.834 4.142 634 1HG1 ILE 80 2HG1 ILE 80 -5.027 1.538 3.248 635 2HG1 ILE 80 1HG1 ILE 80 -6.477 2.340 2.656 636 1HG2 ILE 80 1HG2 ILE 80 -5.636 5.650 2.894 637 2HG2 ILE 80 2HG2 ILE 80 -6.200 4.497 1.686 638 3HG2 ILE 80 3HG2 ILE 80 -4.556 5.128 1.604 639 1HD1 ILE 80 1HD1 ILE 80 -4.055 1.478 1.203 640 2HD1 ILE 80 2HD1 ILE 80 -4.854 2.952 0.654 641 3HD1 ILE 80 3HD1 ILE 80 -5.751 1.433 0.720 642 H MET 81 H MET 81 -2.739 5.961 2.307 643 HA MET 81 HA MET 81 -1.335 6.882 4.648 644 1HB MET 81 2HB MET 81 -0.904 8.901 3.379 645 2HB MET 81 1HB MET 81 -0.611 7.494 2.366 646 1HG MET 81 2HG MET 81 -2.016 8.270 0.852 647 2HG MET 81 1HG MET 81 -3.313 8.261 2.039 648 1HE MET 81 1HE MET 81 -0.347 11.588 2.251 649 2HE MET 81 2HE MET 81 -0.455 11.113 0.555 650 3HE MET 81 3HE MET 81 -0.054 9.914 1.783 651 H THR 82 H THR 82 -4.533 7.331 3.293 652 HA THR 82 HA THR 82 -5.309 8.735 5.724 653 HB THR 82 HB THR 82 -6.090 9.893 3.056 654 HG1 THR 82 1HG THR 82 -3.974 10.715 4.753 655 1HG2 THR 82 1HG2 THR 82 -7.326 11.296 4.226 656 2HG2 THR 82 2HG2 THR 82 -5.924 11.772 5.183 657 3HG2 THR 82 3HG2 THR 82 -6.920 10.409 5.694 658 H ALA 83 H ALA 83 -7.481 8.544 6.258 659 HA ALA 83 HA ALA 83 -8.977 6.622 4.602 660 1HB ALA 83 1HB ALA 83 -8.187 6.153 7.088 661 2HB ALA 83 2HB ALA 83 -9.727 5.555 6.469 662 3HB ALA 83 3HB ALA 83 -9.681 7.014 7.457 663 H HIS 84 H HIS 84 -9.197 9.216 3.814 664 HA HIS 84 HA HIS 84 -11.657 10.248 5.029 665 1HB HIS 84 2HB HIS 84 -11.204 12.246 3.550 666 2HB HIS 84 1HB HIS 84 -9.981 11.932 4.775 667 HD1 HIS 84 1HD HIS 84 -8.332 13.325 3.250 668 HD2 HIS 84 2HD HIS 84 -9.667 9.745 1.617 669 HE1 HIS 84 1HE HIS 84 -6.794 12.851 1.319 670 HE2 HIS 84 2HE HIS 84 -7.544 10.618 0.429 671 H SER 85 H SER 85 -12.940 11.504 3.085 672 HA SER 85 HA SER 85 -14.311 11.326 1.288 673 1HB SER 85 2HB SER 85 -12.495 9.067 0.415 674 2HB SER 85 1HB SER 85 -13.722 9.846 -0.582 675 HG SER 85 HG SER 85 -12.465 11.855 -0.004 676 H ASP 86 H ASP 86 -13.505 7.864 1.555 677 HA ASP 86 HA ASP 86 -16.166 7.386 2.687 678 1HB ASP 86 2HB ASP 86 -15.070 6.074 0.195 679 2HB ASP 86 1HB ASP 86 -16.483 5.491 1.070 680 H LEU 87 H LEU 87 -14.541 7.138 4.516 681 HA LEU 87 HA LEU 87 -12.668 5.179 4.814 682 1HB LEU 87 2HB LEU 87 -14.031 6.895 6.494 683 2HB LEU 87 1HB LEU 87 -14.441 5.314 7.125 684 HG LEU 87 HG LEU 87 -11.656 6.409 6.760 685 1HD1 LEU 87 1HD1 LEU 87 -13.438 6.030 9.137 686 2HD1 LEU 87 2HD1 LEU 87 -12.562 7.472 8.630 687 3HD1 LEU 87 3HD1 LEU 87 -11.683 6.095 9.295 688 1HD2 LEU 87 1HD2 LEU 87 -12.647 3.726 7.672 689 2HD2 LEU 87 2HD2 LEU 87 -11.039 4.336 8.064 690 3HD2 LEU 87 3HD2 LEU 87 -11.504 4.096 6.381 691 H ASP 88 H ASP 88 -16.064 4.735 4.454 692 HA ASP 88 HA ASP 88 -16.597 2.356 5.678 693 1HB ASP 88 2HB ASP 88 -17.590 3.597 3.145 694 2HB ASP 88 1HB ASP 88 -18.106 1.966 3.565 695 H ALA 89 H ALA 89 -15.108 2.736 2.449 696 HA ALA 89 HA ALA 89 -14.980 -0.025 1.893 697 1HB ALA 89 1HB ALA 89 -14.760 1.306 0.013 698 2HB ALA 89 2HB ALA 89 -13.110 0.742 0.279 699 3HB ALA 89 3HB ALA 89 -13.582 2.366 0.781 700 H ALA 90 H ALA 90 -13.101 1.959 3.950 701 HA ALA 90 HA ALA 90 -10.677 0.485 3.894 702 1HB ALA 90 1HB ALA 90 -10.748 2.758 4.746 703 2HB ALA 90 2HB ALA 90 -10.153 1.654 5.987 704 3HB ALA 90 3HB ALA 90 -11.809 2.249 6.060 705 H VAL 91 H VAL 91 -13.648 0.232 5.764 706 HA VAL 91 HA VAL 91 -12.719 -1.583 7.693 707 HB VAL 91 HB VAL 91 -15.544 -1.528 6.665 708 1HG1 VAL 91 1HG1 VAL 91 -15.641 -1.789 9.365 709 2HG1 VAL 91 2HG1 VAL 91 -14.132 -2.630 8.997 710 3HG1 VAL 91 3HG1 VAL 91 -15.638 -3.142 8.232 711 1HG2 VAL 91 1HG2 VAL 91 -14.074 0.449 8.364 712 2HG2 VAL 91 2HG2 VAL 91 -15.797 0.173 8.612 713 3HG2 VAL 91 3HG2 VAL 91 -15.211 0.737 7.048 714 H SER 92 H SER 92 -14.154 -2.070 4.506 715 HA SER 92 HA SER 92 -14.365 -4.874 4.640 716 1HB SER 92 2HB SER 92 -14.104 -2.972 2.307 717 2HB SER 92 1HB SER 92 -14.326 -4.708 2.100 718 HG SER 92 HG SER 92 -16.330 -4.568 2.904 719 H ALA 93 H ALA 93 -11.760 -2.707 3.779 720 HA ALA 93 HA ALA 93 -9.993 -4.504 2.602 721 1HB ALA 93 1HB ALA 93 -8.258 -2.910 3.109 722 2HB ALA 93 2HB ALA 93 -9.280 -2.144 4.322 723 3HB ALA 93 3HB ALA 93 -9.716 -2.056 2.617 724 H TYR 94 H TYR 94 -10.570 -3.749 5.971 725 HA TYR 94 HA TYR 94 -8.430 -5.233 7.049 726 1HB TYR 94 2HB TYR 94 -11.098 -4.789 8.395 727 2HB TYR 94 1HB TYR 94 -9.535 -5.049 9.162 728 HD1 TYR 94 1HD TYR 94 -11.813 -2.680 9.032 729 HD2 TYR 94 2HD TYR 94 -7.788 -3.196 7.750 730 HE1 TYR 94 1HE TYR 94 -11.465 -0.248 9.156 731 HE2 TYR 94 2HE TYR 94 -7.430 -0.767 7.872 732 HH TYR 94 HH TYR 94 -8.414 1.185 9.067 733 H GLN 95 H GLN 95 -11.407 -6.156 5.644 734 HA GLN 95 HA GLN 95 -11.665 -8.698 6.932 735 1HB GLN 95 2HB GLN 95 -13.644 -8.827 5.855 736 2HB GLN 95 1HB GLN 95 -13.354 -7.139 5.479 737 1HG GLN 95 2HG GLN 95 -12.096 -8.324 3.401 738 2HG GLN 95 1HG GLN 95 -13.368 -9.498 3.725 739 1HE2 GLN 95 1HE2 GLN 95 -12.747 -7.356 1.619 740 2HE2 GLN 95 2HE2 GLN 95 -14.261 -6.543 1.424 741 H GLN 96 H GLN 96 -10.316 -7.572 3.879 742 HA GLN 96 HA GLN 96 -9.639 -10.198 2.974 743 1HB GLN 96 2HB GLN 96 -8.594 -9.063 1.104 744 2HB GLN 96 1HB GLN 96 -10.170 -8.350 1.428 745 1HG GLN 96 2HG GLN 96 -9.269 -6.350 1.698 746 2HG GLN 96 1HG GLN 96 -8.165 -6.969 2.923 747 1HE2 GLN 96 1HE2 GLN 96 -6.770 -5.302 1.952 748 2HE2 GLN 96 2HE2 GLN 96 -5.808 -5.751 0.592 749 H GLY 97 H GLY 97 -8.166 -7.895 5.043 750 1HA GLY 97 2HA GLY 97 -6.311 -8.881 6.383 751 2HA GLY 97 1HA GLY 97 -5.605 -9.358 4.848 752 H ALA 98 H ALA 98 -7.164 -6.253 5.296 753 HA ALA 98 HA ALA 98 -4.937 -4.821 4.339 754 1HB ALA 98 1HB ALA 98 -7.252 -4.020 4.166 755 2HB ALA 98 2HB ALA 98 -6.187 -2.824 4.900 756 3HB ALA 98 3HB ALA 98 -7.283 -3.767 5.911 757 H PHE 99 H PHE 99 -3.382 -3.587 5.386 758 HA PHE 99 HA PHE 99 -2.616 -4.482 7.968 759 1HB PHE 99 2HB PHE 99 -1.026 -3.763 6.164 760 2HB PHE 99 1HB PHE 99 -1.526 -2.100 6.465 761 HD1 PHE 99 1HD PHE 99 -0.687 -4.955 8.713 762 HD2 PHE 99 2HD PHE 99 0.155 -0.955 7.530 763 HE1 PHE 99 1HE PHE 99 0.982 -4.779 10.512 764 HE2 PHE 99 2HE PHE 99 1.825 -0.774 9.325 765 HZ PHE 99 HZ PHE 99 2.242 -2.687 10.819 766 H ASP 100 H ASP 100 -3.645 -1.278 6.767 767 HA ASP 100 HA ASP 100 -5.401 -0.602 8.751 768 1HB ASP 100 2HB ASP 100 -2.786 -0.719 9.852 769 2HB ASP 100 1HB ASP 100 -3.214 0.983 9.748 770 H TYR 101 H TYR 101 -4.843 2.039 9.314 771 HA TYR 101 HA TYR 101 -4.472 3.281 6.679 772 1HB TYR 101 2HB TYR 101 -6.835 3.341 8.442 773 2HB TYR 101 1HB TYR 101 -6.325 4.914 7.841 774 HD1 TYR 101 1HD TYR 101 -7.314 1.496 6.753 775 HD2 TYR 101 2HD TYR 101 -6.832 5.585 5.657 776 HE1 TYR 101 1HE TYR 101 -8.473 1.065 4.624 777 HE2 TYR 101 2HE TYR 101 -7.988 5.158 3.532 778 HH TYR 101 HH TYR 101 -9.702 2.269 2.917 779 H LEU 102 H LEU 102 -3.693 5.428 6.718 780 HA LEU 102 HA LEU 102 -2.275 6.092 9.193 781 1HB LEU 102 2HB LEU 102 -1.364 5.846 6.645 782 2HB LEU 102 1HB LEU 102 -1.676 7.563 6.714 783 HG LEU 102 HG LEU 102 -0.115 7.857 8.508 784 1HD1 LEU 102 1HD1 LEU 102 0.876 6.207 9.743 785 2HD1 LEU 102 2HD1 LEU 102 0.706 4.999 8.473 786 3HD1 LEU 102 3HD1 LEU 102 -0.690 5.463 9.436 787 1HD2 LEU 102 1HD2 LEU 102 0.600 6.613 5.983 788 2HD2 LEU 102 2HD2 LEU 102 1.835 6.399 7.225 789 3HD2 LEU 102 3HD2 LEU 102 1.290 8.017 6.793 790 HA PRO 103 HA PRO 103 -4.998 9.583 9.656 791 1HB PRO 103 2HB PRO 103 -3.820 10.747 11.769 792 2HB PRO 103 1HB PRO 103 -4.655 9.200 11.918 793 1HG PRO 103 2HG PRO 103 -1.726 9.754 11.687 794 2HG PRO 103 1HG PRO 103 -2.569 8.612 12.747 795 1HD PRO 103 2HD PRO 103 -1.342 7.906 10.394 796 2HD PRO 103 1HD PRO 103 -2.686 7.007 11.124 797 H LYS 104 H LYS 104 -3.964 12.072 10.684 798 HA LYS 104 HA LYS 104 -3.500 13.546 8.462 799 1HB LYS 104 2HB LYS 104 -2.933 13.915 11.328 800 2HB LYS 104 1HB LYS 104 -2.005 14.950 10.253 801 1HG LYS 104 2HG LYS 104 -4.180 15.619 9.186 802 2HG LYS 104 1HG LYS 104 -4.995 14.759 10.495 803 1HD LYS 104 2HD LYS 104 -4.920 16.983 11.221 804 2HD LYS 104 1HD LYS 104 -3.588 16.200 12.073 805 1HE LYS 104 2HE LYS 104 -2.248 17.003 9.929 806 2HE LYS 104 1HE LYS 104 -3.536 18.208 9.882 807 1HZ LYS 104 1HZ LYS 104 -1.846 17.669 12.263 808 2HZ LYS 104 2HZ LYS 104 -2.973 18.917 12.078 809 3HZ LYS 104 3HZ LYS 104 -1.557 18.914 11.154 810 HA PRO 105 HA PRO 105 1.372 13.241 9.034 811 1HB PRO 105 2HB PRO 105 2.105 10.846 10.234 812 2HB PRO 105 1HB PRO 105 2.104 12.424 11.026 813 1HG PRO 105 2HG PRO 105 0.063 10.251 11.120 814 2HG PRO 105 1HG PRO 105 0.616 11.330 12.414 815 1HD PRO 105 2HD PRO 105 -1.728 11.716 11.182 816 2HD PRO 105 1HD PRO 105 -0.721 13.085 11.691 817 H PHE 106 H PHE 106 2.875 11.937 7.774 818 HA PHE 106 HA PHE 106 2.160 9.479 6.618 819 1HB PHE 106 2HB PHE 106 0.466 10.736 5.423 820 2HB PHE 106 1HB PHE 106 1.659 11.917 4.895 821 HD1 PHE 106 1HD PHE 106 2.241 11.758 2.689 822 HD2 PHE 106 2HD PHE 106 1.300 8.199 4.817 823 HE1 PHE 106 1HE PHE 106 2.649 10.440 0.652 824 HE2 PHE 106 2HE PHE 106 1.704 6.871 2.787 825 HZ PHE 106 HZ PHE 106 2.381 7.991 0.702 826 H ASP 107 H ASP 107 3.500 11.669 4.309 827 HA ASP 107 HA ASP 107 5.544 11.618 3.298 828 1HB ASP 107 2HB ASP 107 7.338 12.468 4.687 829 2HB ASP 107 1HB ASP 107 5.835 13.277 5.113 830 H ILE 108 H ILE 108 7.975 10.709 3.685 831 HA ILE 108 HA ILE 108 7.682 7.904 3.516 832 HB ILE 108 HB ILE 108 9.730 9.793 2.938 833 1HG1 ILE 108 2HG1 ILE 108 10.463 8.028 1.409 834 2HG1 ILE 108 1HG1 ILE 108 9.449 6.868 2.257 835 1HG2 ILE 108 1HG2 ILE 108 10.974 9.104 4.837 836 2HG2 ILE 108 2HG2 ILE 108 11.681 8.282 3.445 837 3HG2 ILE 108 3HG2 ILE 108 10.609 7.406 4.535 838 1HD1 ILE 108 1HD1 ILE 108 8.580 7.837 0.065 839 2HD1 ILE 108 2HD1 ILE 108 8.284 9.315 0.983 840 3HD1 ILE 108 3HD1 ILE 108 7.481 7.813 1.443 841 H ASP 109 H ASP 109 8.925 10.006 6.008 842 HA ASP 109 HA ASP 109 10.050 8.183 7.736 843 1HB ASP 109 2HB ASP 109 9.956 10.709 7.987 844 2HB ASP 109 1HB ASP 109 8.359 10.488 8.696 845 H GLU 110 H GLU 110 6.652 9.305 7.928 846 HA GLU 110 HA GLU 110 6.000 7.246 9.786 847 1HB GLU 110 2HB GLU 110 4.155 9.111 8.292 848 2HB GLU 110 1HB GLU 110 3.710 8.099 9.656 849 1HG GLU 110 2HG GLU 110 5.800 10.253 9.788 850 2HG GLU 110 1HG GLU 110 4.103 10.494 10.205 851 H ALA 111 H ALA 111 5.733 7.643 6.339 852 HA ALA 111 HA ALA 111 3.889 5.528 5.900 853 1HB ALA 111 1HB ALA 111 4.589 5.657 3.554 854 2HB ALA 111 2HB ALA 111 5.929 6.708 4.013 855 3HB ALA 111 3HB ALA 111 4.267 7.258 4.218 856 H VAL 112 H VAL 112 7.402 5.683 5.278 857 HA VAL 112 HA VAL 112 7.767 2.951 4.830 858 HB VAL 112 HB VAL 112 9.766 4.869 6.027 859 1HG1 VAL 112 1HG1 VAL 112 11.254 3.212 5.969 860 2HG1 VAL 112 2HG1 VAL 112 10.825 2.804 4.308 861 3HG1 VAL 112 3HG1 VAL 112 9.915 2.108 5.651 862 1HG2 VAL 112 1HG2 VAL 112 8.704 4.529 3.302 863 2HG2 VAL 112 2HG2 VAL 112 10.460 4.642 3.424 864 3HG2 VAL 112 3HG2 VAL 112 9.445 5.935 4.062 865 H ALA 113 H ALA 113 7.519 4.800 7.738 866 HA ALA 113 HA ALA 113 8.573 2.937 9.566 867 1HB ALA 113 1HB ALA 113 8.188 5.256 10.164 868 2HB ALA 113 2HB ALA 113 7.287 4.194 11.245 869 3HB ALA 113 3HB ALA 113 6.451 5.041 9.939 870 H LEU 114 H LEU 114 5.295 3.566 8.412 871 HA LEU 114 HA LEU 114 4.114 1.482 9.934 872 1HB LEU 114 2HB LEU 114 2.878 3.486 9.248 873 2HB LEU 114 1HB LEU 114 3.010 2.984 7.569 874 HG LEU 114 HG LEU 114 1.741 0.890 8.207 875 1HD1 LEU 114 1HD1 LEU 114 1.530 2.419 10.776 876 2HD1 LEU 114 2HD1 LEU 114 1.963 0.730 10.524 877 3HD1 LEU 114 3HD1 LEU 114 0.295 1.257 10.290 878 1HD2 LEU 114 1HD2 LEU 114 0.853 3.235 7.309 879 2HD2 LEU 114 2HD2 LEU 114 -0.026 3.179 8.837 880 3HD2 LEU 114 3HD2 LEU 114 -0.222 1.883 7.661 881 H VAL 115 H VAL 115 5.663 1.601 6.850 882 HA VAL 115 HA VAL 115 4.357 -0.765 5.878 883 HB VAL 115 HB VAL 115 5.304 1.056 4.383 884 1HG1 VAL 115 1HG1 VAL 115 7.883 -0.433 4.844 885 2HG1 VAL 115 2HG1 VAL 115 7.515 1.168 5.474 886 3HG1 VAL 115 3HG1 VAL 115 7.615 0.914 3.737 887 1HG2 VAL 115 1HG2 VAL 115 5.046 -0.425 2.741 888 2HG2 VAL 115 2HG2 VAL 115 4.885 -1.652 3.997 889 3HG2 VAL 115 3HG2 VAL 115 6.455 -1.353 3.253 890 H GLU 116 H GLU 116 7.575 -0.017 7.162 891 HA GLU 116 HA GLU 116 8.617 -2.622 6.918 892 1HB GLU 116 2HB GLU 116 9.350 -0.391 8.822 893 2HB GLU 116 1HB GLU 116 10.293 -1.859 8.600 894 1HG GLU 116 2HG GLU 116 10.160 -1.074 6.061 895 2HG GLU 116 1HG GLU 116 10.000 0.496 6.842 896 H ARG 117 H ARG 117 6.996 -0.984 9.633 897 HA ARG 117 HA ARG 117 7.260 -3.047 11.501 898 1HB ARG 117 2HB ARG 117 5.415 -2.005 12.704 899 2HB ARG 117 1HB ARG 117 6.524 -0.781 12.105 900 1HG ARG 117 2HG ARG 117 4.984 0.147 10.777 901 2HG ARG 117 1HG ARG 117 4.300 -1.406 10.297 902 1HD ARG 117 2HD ARG 117 2.561 -0.897 11.599 903 2HD ARG 117 1HD ARG 117 3.628 -1.185 12.969 904 HE ARG 117 HE ARG 117 3.318 1.481 11.757 905 1HH1 ARG 117 1HH1 ARG 117 3.357 -0.606 14.564 906 2HH1 ARG 117 2HH1 ARG 117 3.206 0.703 15.684 907 1HH2 ARG 117 1HH2 ARG 117 3.092 3.183 13.222 908 2HH2 ARG 117 2HH2 ARG 117 3.051 2.857 14.922 909 H ALA 118 H ALA 118 5.151 -2.690 8.793 910 HA ALA 118 HA ALA 118 3.175 -4.559 9.572 911 1HB ALA 118 1HB ALA 118 3.766 -2.949 7.262 912 2HB ALA 118 2HB ALA 118 2.223 -3.609 7.803 913 3HB ALA 118 3HB ALA 118 3.285 -4.577 6.778 914 H ILE 119 H ILE 119 6.073 -4.828 7.535 915 HA ILE 119 HA ILE 119 5.748 -7.619 7.082 916 HB ILE 119 HB ILE 119 8.278 -6.013 6.791 917 1HG1 ILE 119 2HG1 ILE 119 6.577 -6.492 4.421 918 2HG1 ILE 119 1HG1 ILE 119 5.968 -5.308 5.574 919 1HG2 ILE 119 1HG2 ILE 119 7.311 -8.551 5.493 920 2HG2 ILE 119 2HG2 ILE 119 8.666 -8.367 6.611 921 3HG2 ILE 119 3HG2 ILE 119 8.748 -7.656 4.998 922 1HD1 ILE 119 1HD1 ILE 119 7.658 -3.846 5.174 923 2HD1 ILE 119 2HD1 ILE 119 7.547 -4.622 3.592 924 3HD1 ILE 119 3HD1 ILE 119 8.798 -5.117 4.732 925 H SER 120 H SER 120 7.382 -5.644 9.416 926 HA SER 120 HA SER 120 9.071 -7.643 10.500 927 1HB SER 120 2HB SER 120 9.249 -5.082 10.748 928 2HB SER 120 1HB SER 120 8.065 -5.260 12.043 929 HG SER 120 HG SER 120 9.915 -7.073 12.485 930 H HIS 121 H HIS 121 5.855 -6.440 11.360 931 HA HIS 121 HA HIS 121 5.565 -7.970 13.718 932 1HB HIS 121 2HB HIS 121 3.766 -6.414 11.944 933 2HB HIS 121 1HB HIS 121 3.006 -7.621 12.975 934 HD1 HIS 121 1HD HIS 121 5.861 -5.250 13.817 935 HD2 HIS 121 2HD HIS 121 1.977 -6.144 14.993 936 HE1 HIS 121 1HE HIS 121 5.422 -3.814 15.835 937 HE2 HIS 121 2HE HIS 121 3.101 -4.443 16.584 938 H TYR 122 H TYR 122 5.313 -8.762 10.385 939 HA TYR 122 HA TYR 122 3.646 -11.048 10.684 940 1HB TYR 122 2HB TYR 122 5.222 -9.811 8.499 941 2HB TYR 122 1HB TYR 122 4.887 -11.535 8.350 942 HD1 TYR 122 1HD TYR 122 2.278 -12.030 9.137 943 HD2 TYR 122 2HD TYR 122 3.757 -8.484 7.312 944 HE1 TYR 122 1HE TYR 122 0.018 -11.520 8.318 945 HE2 TYR 122 2HE TYR 122 1.498 -7.961 6.487 946 HH TYR 122 HH TYR 122 -1.022 -10.206 6.486 947 H GLN 123 H GLN 123 7.146 -10.590 10.281 948 HA GLN 123 HA GLN 123 7.715 -13.370 10.567 949 1HB GLN 123 2HB GLN 123 10.112 -12.512 10.833 950 2HB GLN 123 1HB GLN 123 9.314 -12.219 9.297 951 1HG GLN 123 2HG GLN 123 9.872 -10.090 9.512 952 2HG GLN 123 1HG GLN 123 8.717 -9.983 10.835 953 1HE2 GLN 123 1HE2 GLN 123 11.822 -9.393 9.981 954 2HE2 GLN 123 2HE2 GLN 123 12.565 -9.402 11.540 955 H GLU 124 H GLU 124 8.287 -10.556 12.594 956 HA GLU 124 HA GLU 124 8.524 -10.285 14.840 957 1HB GLU 124 2HB GLU 124 6.335 -11.862 14.529 958 2HB GLU 124 1HB GLU 124 7.335 -12.898 15.537 959 1HG GLU 124 2HG GLU 124 7.406 -11.302 17.275 960 2HG GLU 124 1HG GLU 124 6.740 -10.040 16.239 Start of MODEL 20 1 1H MET 1 1HT MET 1 17.172 -14.299 6.978 2 2H MET 1 2HT MET 1 17.121 -15.106 5.464 3 3H MET 1 3HT MET 1 15.698 -14.967 6.413 4 HA MET 1 HA MET 1 15.721 -12.610 6.158 5 1HB MET 1 2HB MET 1 17.352 -11.634 4.543 6 2HB MET 1 1HB MET 1 18.101 -12.261 6.005 7 1HG MET 1 2HG MET 1 19.319 -13.743 4.882 8 2HG MET 1 1HG MET 1 17.958 -14.238 3.877 9 1HE MET 1 1HE MET 1 20.487 -13.898 1.422 10 2HE MET 1 2HE MET 1 18.865 -13.610 0.789 11 3HE MET 1 3HE MET 1 19.107 -14.750 2.113 12 H GLN 2 H GLN 2 13.745 -13.163 5.267 13 HA GLN 2 HA GLN 2 13.335 -14.571 2.891 14 1HB GLN 2 2HB GLN 2 11.725 -13.416 4.819 15 2HB GLN 2 1HB GLN 2 11.342 -12.491 3.373 16 1HG GLN 2 2HG GLN 2 10.685 -14.445 2.195 17 2HG GLN 2 1HG GLN 2 11.309 -15.493 3.466 18 1HE2 GLN 2 1HE2 GLN 2 8.667 -13.633 2.361 19 2HE2 GLN 2 2HE2 GLN 2 7.588 -13.965 3.670 20 H ARG 3 H ARG 3 12.109 -13.478 0.974 21 HA ARG 3 HA ARG 3 13.970 -11.860 -0.380 22 1HB ARG 3 2HB ARG 3 12.332 -13.444 -1.441 23 2HB ARG 3 1HB ARG 3 11.075 -12.261 -1.113 24 1HG ARG 3 2HG ARG 3 11.546 -11.605 -3.212 25 2HG ARG 3 1HG ARG 3 12.829 -10.699 -2.405 26 1HD ARG 3 2HD ARG 3 14.444 -11.951 -3.327 27 2HD ARG 3 1HD ARG 3 13.573 -13.453 -3.029 28 HE ARG 3 HE ARG 3 12.408 -11.976 -5.166 29 1HH1 ARG 3 1HH1 ARG 3 15.074 -14.086 -4.369 30 2HH1 ARG 3 2HH1 ARG 3 15.253 -14.676 -5.987 31 1HH2 ARG 3 1HH2 ARG 3 12.646 -12.753 -7.294 32 2HH2 ARG 3 2HH2 ARG 3 13.876 -13.919 -7.648 33 H GLY 4 H GLY 4 10.881 -11.160 1.123 34 1HA GLY 4 2HA GLY 4 9.940 -9.195 1.844 35 2HA GLY 4 1HA GLY 4 11.574 -8.549 1.883 36 H ILE 5 H ILE 5 8.690 -8.951 -0.043 37 HA ILE 5 HA ILE 5 9.746 -7.003 -1.985 38 HB ILE 5 HB ILE 5 7.362 -8.810 -2.373 39 1HG1 ILE 5 2HG1 ILE 5 9.207 -9.878 -4.008 40 2HG1 ILE 5 1HG1 ILE 5 10.270 -9.313 -2.723 41 1HG2 ILE 5 1HG2 ILE 5 8.610 -8.106 -4.801 42 2HG2 ILE 5 2HG2 ILE 5 8.458 -6.627 -3.853 43 3HG2 ILE 5 3HG2 ILE 5 7.030 -7.602 -4.201 44 1HD1 ILE 5 1HD1 ILE 5 9.054 -11.721 -2.761 45 2HD1 ILE 5 2HD1 ILE 5 7.901 -10.783 -1.812 46 3HD1 ILE 5 3HD1 ILE 5 9.584 -10.896 -1.296 47 H VAL 6 H VAL 6 9.085 -4.985 -1.556 48 HA VAL 6 HA VAL 6 6.361 -4.591 -0.500 49 HB VAL 6 HB VAL 6 7.961 -3.574 0.994 50 1HG1 VAL 6 1HG1 VAL 6 9.206 -2.630 -1.527 51 2HG1 VAL 6 2HG1 VAL 6 9.953 -3.283 -0.072 52 3HG1 VAL 6 3HG1 VAL 6 9.357 -1.625 -0.091 53 1HG2 VAL 6 1HG2 VAL 6 5.886 -2.318 0.476 54 2HG2 VAL 6 2HG2 VAL 6 6.784 -1.401 -0.739 55 3HG2 VAL 6 3HG2 VAL 6 7.224 -1.281 0.965 56 H TRP 7 H TRP 7 4.878 -3.707 -1.811 57 HA TRP 7 HA TRP 7 5.848 -2.330 -4.226 58 1HB TRP 7 2HB TRP 7 3.516 -4.160 -3.802 59 2HB TRP 7 1HB TRP 7 3.462 -2.959 -5.088 60 HD1 TRP 7 HD1 TRP 7 6.940 -4.046 -4.731 61 HE1 TRP 7 1HE TRP 7 7.568 -5.770 -6.526 62 HE3 TRP 7 3HE TRP 7 2.245 -5.238 -6.387 63 HZ2 TRP 7 2HZ TRP 7 6.253 -7.434 -8.385 64 HZ3 TRP 7 3HZ TRP 7 2.025 -6.912 -8.176 65 HH2 TRP 7 HH2 TRP 7 3.987 -7.986 -9.153 66 H VAL 8 H VAL 8 5.014 -0.368 -4.751 67 HA VAL 8 HA VAL 8 3.132 0.810 -2.809 68 HB VAL 8 HB VAL 8 5.070 2.574 -4.220 69 1HG1 VAL 8 1HG1 VAL 8 3.173 3.131 -2.484 70 2HG1 VAL 8 2HG1 VAL 8 4.706 4.012 -2.485 71 3HG1 VAL 8 3HG1 VAL 8 4.434 2.715 -1.316 72 1HG2 VAL 8 1HG2 VAL 8 5.965 0.358 -2.633 73 2HG2 VAL 8 2HG2 VAL 8 6.336 1.865 -1.809 74 3HG2 VAL 8 3HG2 VAL 8 6.912 1.598 -3.451 75 H VAL 9 H VAL 9 1.625 2.313 -3.596 76 HA VAL 9 HA VAL 9 1.538 2.614 -6.514 77 HB VAL 9 HB VAL 9 -1.154 2.542 -5.486 78 1HG1 VAL 9 1HG1 VAL 9 0.411 0.973 -7.509 79 2HG1 VAL 9 2HG1 VAL 9 -0.677 2.320 -7.805 80 3HG1 VAL 9 3HG1 VAL 9 -1.319 0.765 -7.272 81 1HG2 VAL 9 1HG2 VAL 9 0.626 0.280 -4.700 82 2HG2 VAL 9 2HG2 VAL 9 -1.006 -0.080 -5.259 83 3HG2 VAL 9 3HG2 VAL 9 -0.765 0.963 -3.862 84 H ASP 10 H ASP 10 1.771 4.669 -6.929 85 HA ASP 10 HA ASP 10 0.019 6.650 -5.799 86 1HB ASP 10 2HB ASP 10 2.222 6.183 -4.292 87 2HB ASP 10 1HB ASP 10 2.851 7.402 -5.395 88 H ASP 11 H ASP 11 1.671 8.888 -6.431 89 HA ASP 11 HA ASP 11 1.157 9.095 -9.195 90 1HB ASP 11 2HB ASP 11 2.205 10.828 -7.080 91 2HB ASP 11 1HB ASP 11 2.870 11.172 -8.675 92 H ASP 12 H ASP 12 3.614 7.415 -7.761 93 HA ASP 12 HA ASP 12 5.501 6.449 -8.596 94 1HB ASP 12 2HB ASP 12 3.957 7.019 -10.860 95 2HB ASP 12 1HB ASP 12 5.559 7.637 -11.246 96 H SER 13 H SER 13 7.347 7.547 -10.512 97 HA SER 13 HA SER 13 9.328 8.668 -10.238 98 1HB SER 13 2HB SER 13 7.681 9.932 -11.703 99 2HB SER 13 1HB SER 13 7.515 11.053 -10.355 100 HG SER 13 HG SER 13 9.130 11.839 -11.654 101 H SER 14 H SER 14 7.549 11.240 -8.672 102 HA SER 14 HA SER 14 9.461 11.792 -6.762 103 1HB SER 14 2HB SER 14 6.535 12.380 -6.975 104 2HB SER 14 1HB SER 14 7.378 12.767 -5.476 105 HG SER 14 HG SER 14 7.301 14.453 -7.160 106 H ILE 15 H ILE 15 6.348 10.165 -6.088 107 HA ILE 15 HA ILE 15 7.062 9.323 -3.507 108 HB ILE 15 HB ILE 15 5.095 7.899 -5.295 109 1HG1 ILE 15 2HG1 ILE 15 4.607 10.303 -5.344 110 2HG1 ILE 15 1HG1 ILE 15 3.379 9.434 -4.432 111 1HG2 ILE 15 1HG2 ILE 15 4.775 8.303 -2.356 112 2HG2 ILE 15 2HG2 ILE 15 5.879 7.060 -2.945 113 3HG2 ILE 15 3HG2 ILE 15 4.174 7.007 -3.390 114 1HD1 ILE 15 1HD1 ILE 15 5.604 10.470 -2.826 115 2HD1 ILE 15 2HD1 ILE 15 3.865 10.499 -2.526 116 3HD1 ILE 15 3HD1 ILE 15 4.596 11.693 -3.599 117 H ARG 16 H ARG 16 7.752 8.029 -6.629 118 HA ARG 16 HA ARG 16 8.359 5.376 -5.814 119 1HB ARG 16 2HB ARG 16 7.790 5.943 -8.135 120 2HB ARG 16 1HB ARG 16 9.262 6.899 -8.262 121 1HG ARG 16 2HG ARG 16 10.542 4.791 -7.770 122 2HG ARG 16 1HG ARG 16 9.024 3.918 -7.953 123 1HD ARG 16 2HD ARG 16 8.803 4.642 -10.228 124 2HD ARG 16 1HD ARG 16 10.189 5.720 -10.063 125 HE ARG 16 HE ARG 16 10.393 2.778 -9.933 126 1HH1 ARG 16 1HH1 ARG 16 11.629 5.881 -10.978 127 2HH1 ARG 16 2HH1 ARG 16 13.033 5.202 -11.724 128 1HH2 ARG 16 1HH2 ARG 16 12.241 1.899 -10.912 129 2HH2 ARG 16 2HH2 ARG 16 13.380 2.947 -11.689 130 H TRP 17 H TRP 17 10.492 8.099 -6.720 131 HA TRP 17 HA TRP 17 12.897 6.833 -6.110 132 1HB TRP 17 2HB TRP 17 12.617 9.000 -7.363 133 2HB TRP 17 1HB TRP 17 12.396 9.791 -5.805 134 HD1 TRP 17 HD1 TRP 17 15.086 7.716 -7.668 135 HE1 TRP 17 1HE TRP 17 17.397 8.467 -6.821 136 HE3 TRP 17 3HE TRP 17 13.596 10.999 -4.041 137 HZ2 TRP 17 2HZ TRP 17 18.450 10.220 -4.874 138 HZ3 TRP 17 3HZ TRP 17 15.320 12.173 -2.731 139 HH2 TRP 17 HH2 TRP 17 17.694 11.789 -3.141 140 H VAL 18 H VAL 18 10.784 8.768 -4.026 141 HA VAL 18 HA VAL 18 12.542 8.872 -1.841 142 HB VAL 18 HB VAL 18 9.579 8.878 -1.440 143 1HG1 VAL 18 1HG1 VAL 18 11.686 9.287 0.250 144 2HG1 VAL 18 2HG1 VAL 18 10.043 9.876 0.512 145 3HG1 VAL 18 3HG1 VAL 18 11.256 10.933 -0.211 146 1HG2 VAL 18 1HG2 VAL 18 10.941 10.536 -3.311 147 2HG2 VAL 18 2HG2 VAL 18 10.469 11.528 -1.933 148 3HG2 VAL 18 3HG2 VAL 18 9.252 10.598 -2.806 149 H LEU 19 H LEU 19 9.848 6.684 -2.463 150 HA LEU 19 HA LEU 19 10.422 5.176 -0.100 151 1HB LEU 19 2HB LEU 19 8.119 5.609 -1.191 152 2HB LEU 19 1HB LEU 19 8.539 4.267 -2.235 153 HG LEU 19 HG LEU 19 8.594 2.737 -0.404 154 1HD1 LEU 19 1HD1 LEU 19 9.510 3.593 1.462 155 2HD1 LEU 19 2HD1 LEU 19 7.830 3.928 1.888 156 3HD1 LEU 19 3HD1 LEU 19 8.831 5.197 1.185 157 1HD2 LEU 19 1HD2 LEU 19 6.361 2.620 0.006 158 2HD2 LEU 19 2HD2 LEU 19 6.337 3.825 -1.282 159 3HD2 LEU 19 3HD2 LEU 19 6.228 4.334 0.402 160 H GLU 20 H GLU 20 11.287 4.903 -3.446 161 HA GLU 20 HA GLU 20 11.790 2.128 -3.464 162 1HB GLU 20 2HB GLU 20 12.921 2.435 -5.515 163 2HB GLU 20 1HB GLU 20 11.597 3.581 -5.498 164 1HG GLU 20 2HG GLU 20 13.165 5.365 -4.926 165 2HG GLU 20 1HG GLU 20 14.484 4.200 -4.954 166 H ARG 21 H ARG 21 14.089 4.806 -3.188 167 HA ARG 21 HA ARG 21 16.296 3.159 -2.583 168 1HB ARG 21 2HB ARG 21 15.863 6.107 -2.090 169 2HB ARG 21 1HB ARG 21 17.407 5.286 -1.897 170 1HG ARG 21 2HG ARG 21 16.242 4.758 -4.492 171 2HG ARG 21 1HG ARG 21 16.427 6.487 -4.197 172 1HD ARG 21 2HD ARG 21 18.683 6.384 -4.222 173 2HD ARG 21 1HD ARG 21 18.723 4.807 -3.438 174 HE ARG 21 HE ARG 21 18.170 5.220 -6.306 175 1HH1 ARG 21 1HH1 ARG 21 19.498 3.294 -3.703 176 2HH1 ARG 21 2HH1 ARG 21 20.101 2.068 -4.764 177 1HH2 ARG 21 1HH2 ARG 21 18.962 3.602 -7.685 178 2HH2 ARG 21 2HH2 ARG 21 19.797 2.240 -7.016 179 H ALA 22 H ALA 22 14.234 5.160 -0.468 180 HA ALA 22 HA ALA 22 15.562 4.617 1.911 181 1HB ALA 22 1HB ALA 22 13.661 6.304 1.383 182 2HB ALA 22 2HB ALA 22 13.818 5.644 3.011 183 3HB ALA 22 3HB ALA 22 12.607 4.992 1.908 184 H LEU 23 H LEU 23 12.984 2.800 0.359 185 HA LEU 23 HA LEU 23 12.818 0.932 2.541 186 1HB LEU 23 2HB LEU 23 11.201 1.532 0.342 187 2HB LEU 23 1HB LEU 23 11.739 -0.115 0.079 188 HG LEU 23 HG LEU 23 10.619 0.701 2.735 189 1HD1 LEU 23 1HD1 LEU 23 8.766 1.325 1.588 190 2HD1 LEU 23 2HD1 LEU 23 8.479 -0.413 1.653 191 3HD1 LEU 23 3HD1 LEU 23 9.148 0.315 0.193 192 1HD2 LEU 23 1HD2 LEU 23 9.833 -1.805 2.373 193 2HD2 LEU 23 2HD2 LEU 23 11.458 -1.402 2.968 194 3HD2 LEU 23 3HD2 LEU 23 11.209 -1.812 1.265 195 H ALA 24 H ALA 24 14.670 1.277 -0.332 196 HA ALA 24 HA ALA 24 15.497 -1.418 -0.618 197 1HB ALA 24 1HB ALA 24 17.096 1.027 -1.376 198 2HB ALA 24 2HB ALA 24 15.761 0.407 -2.347 199 3HB ALA 24 3HB ALA 24 17.191 -0.589 -2.080 200 H GLY 25 H GLY 25 16.495 1.324 1.323 201 1HA GLY 25 2HA GLY 25 18.922 0.214 2.304 202 2HA GLY 25 1HA GLY 25 17.987 1.499 3.064 203 H ALA 26 H ALA 26 15.580 -0.311 3.000 204 HA ALA 26 HA ALA 26 15.979 -1.475 5.578 205 1HB ALA 26 1HB ALA 26 13.574 -2.259 5.216 206 2HB ALA 26 2HB ALA 26 13.605 -1.328 3.717 207 3HB ALA 26 3HB ALA 26 13.853 -0.520 5.267 208 H GLY 27 H GLY 27 16.418 -2.511 2.370 209 1HA GLY 27 2HA GLY 27 17.510 -4.529 1.833 210 2HA GLY 27 1HA GLY 27 16.901 -5.229 3.319 211 H LEU 28 H LEU 28 14.718 -3.534 1.146 212 HA LEU 28 HA LEU 28 13.760 -6.119 0.189 213 1HB LEU 28 2HB LEU 28 11.720 -4.072 0.810 214 2HB LEU 28 1HB LEU 28 11.619 -5.819 0.904 215 HG LEU 28 HG LEU 28 13.355 -5.399 2.879 216 1HD1 LEU 28 1HD1 LEU 28 13.592 -3.305 3.422 217 2HD1 LEU 28 2HD1 LEU 28 11.888 -3.259 3.878 218 3HD1 LEU 28 3HD1 LEU 28 12.385 -2.817 2.241 219 1HD2 LEU 28 1HD2 LEU 28 11.702 -6.203 4.162 220 2HD2 LEU 28 2HD2 LEU 28 10.758 -6.221 2.672 221 3HD2 LEU 28 3HD2 LEU 28 10.635 -4.851 3.777 222 H THR 29 H THR 29 12.087 -5.880 -1.557 223 HA THR 29 HA THR 29 13.142 -4.071 -3.576 224 HB THR 29 HB THR 29 11.203 -6.384 -3.687 225 HG1 THR 29 1HG THR 29 12.885 -7.491 -4.286 226 1HG2 THR 29 1HG2 THR 29 11.620 -4.302 -5.652 227 2HG2 THR 29 2HG2 THR 29 10.424 -5.598 -5.605 228 3HG2 THR 29 3HG2 THR 29 12.031 -5.902 -6.270 229 H CYS 30 H CYS 30 12.306 -2.076 -3.593 230 HA CYS 30 HA CYS 30 9.428 -1.763 -3.096 231 1HB CYS 30 2HB CYS 30 10.814 -0.506 -1.551 232 2HB CYS 30 1HB CYS 30 11.652 0.265 -2.891 233 HG CYS 30 HG CYS 30 9.589 1.695 -3.357 234 H THR 31 H THR 31 8.278 -1.710 -4.867 235 HA THR 31 HA THR 31 9.284 -0.152 -7.156 236 HB THR 31 HB THR 31 9.000 -2.733 -7.429 237 HG1 THR 31 1HG THR 31 7.975 -0.737 -9.132 238 1HG2 THR 31 1HG2 THR 31 6.201 -2.209 -8.166 239 2HG2 THR 31 2HG2 THR 31 6.539 -2.408 -6.444 240 3HG2 THR 31 3HG2 THR 31 6.977 -3.685 -7.586 241 H THR 32 H THR 32 7.641 1.066 -8.319 242 HA THR 32 HA THR 32 5.215 1.487 -6.724 243 HB THR 32 HB THR 32 5.340 3.858 -7.108 244 HG1 THR 32 1HG THR 32 6.363 4.438 -8.839 245 1HG2 THR 32 1HG2 THR 32 6.793 4.258 -5.471 246 2HG2 THR 32 2HG2 THR 32 8.131 3.520 -6.349 247 3HG2 THR 32 3HG2 THR 32 7.012 2.506 -5.442 248 H PHE 33 H PHE 33 3.454 2.541 -7.870 249 HA PHE 33 HA PHE 33 3.402 1.859 -10.722 250 1HB PHE 33 2HB PHE 33 1.218 1.321 -8.723 251 2HB PHE 33 1HB PHE 33 1.123 1.013 -10.442 252 HD1 PHE 33 1HD PHE 33 1.329 -1.199 -11.027 253 HD2 PHE 33 2HD PHE 33 3.518 0.217 -7.678 254 HE1 PHE 33 1HE PHE 33 2.254 -3.431 -10.692 255 HE2 PHE 33 2HE PHE 33 4.457 -2.018 -7.336 256 HZ PHE 33 HZ PHE 33 3.808 -3.868 -8.857 257 H GLU 34 H GLU 34 1.291 2.773 -11.731 258 HA GLU 34 HA GLU 34 1.526 5.548 -11.729 259 1HB GLU 34 2HB GLU 34 -0.203 5.558 -13.339 260 2HB GLU 34 1HB GLU 34 0.676 4.054 -13.578 261 1HG GLU 34 2HG GLU 34 -1.353 3.402 -11.786 262 2HG GLU 34 1HG GLU 34 -2.111 4.483 -12.951 263 H ASN 35 H ASN 35 -0.874 3.537 -10.003 264 HA ASN 35 HA ASN 35 -1.417 5.654 -8.204 265 1HB ASN 35 2HB ASN 35 -3.255 5.272 -10.504 266 2HB ASN 35 1HB ASN 35 -3.974 5.601 -8.929 267 1HD2 ASN 35 1HD2 ASN 35 -2.558 7.411 -7.755 268 2HD2 ASN 35 2HD2 ASN 35 -2.364 8.841 -8.703 269 H GLY 36 H GLY 36 -3.100 2.908 -9.643 270 1HA GLY 36 2HA GLY 36 -2.973 1.422 -7.185 271 2HA GLY 36 1HA GLY 36 -4.576 2.049 -7.518 272 H ASN 37 H ASN 37 -5.104 1.683 -10.019 273 HA ASN 37 HA ASN 37 -5.748 -0.953 -10.341 274 1HB ASN 37 2HB ASN 37 -6.045 1.394 -11.833 275 2HB ASN 37 1HB ASN 37 -5.296 0.232 -12.924 276 1HD2 ASN 37 1HD2 ASN 37 -7.718 -0.007 -10.327 277 2HD2 ASN 37 2HD2 ASN 37 -8.907 -0.817 -11.283 278 H GLU 38 H GLU 38 -2.779 0.652 -11.304 279 HA GLU 38 HA GLU 38 -1.752 -1.282 -13.006 280 1HB GLU 38 2HB GLU 38 -0.838 1.080 -11.946 281 2HB GLU 38 1HB GLU 38 0.265 -0.098 -11.269 282 1HG GLU 38 2HG GLU 38 -0.228 -0.502 -14.107 283 2HG GLU 38 1HG GLU 38 0.479 1.069 -13.737 284 H VAL 39 H VAL 39 -1.173 -1.070 -9.437 285 HA VAL 39 HA VAL 39 0.338 -3.438 -9.284 286 HB VAL 39 HB VAL 39 -1.523 -2.420 -7.130 287 1HG1 VAL 39 1HG1 VAL 39 -0.040 -4.737 -7.233 288 2HG1 VAL 39 2HG1 VAL 39 -0.635 -3.956 -5.771 289 3HG1 VAL 39 3HG1 VAL 39 1.002 -3.634 -6.342 290 1HG2 VAL 39 1HG2 VAL 39 0.292 -1.104 -6.302 291 2HG2 VAL 39 2HG2 VAL 39 0.043 -0.694 -8.008 292 3HG2 VAL 39 3HG2 VAL 39 1.381 -1.749 -7.532 293 H LEU 40 H LEU 40 -3.130 -2.886 -9.049 294 HA LEU 40 HA LEU 40 -3.997 -5.390 -8.304 295 1HB LEU 40 2HB LEU 40 -5.474 -3.884 -10.419 296 2HB LEU 40 1HB LEU 40 -6.114 -4.776 -9.055 297 HG LEU 40 HG LEU 40 -4.854 -2.038 -9.032 298 1HD1 LEU 40 1HD1 LEU 40 -6.943 -1.328 -9.162 299 2HD1 LEU 40 2HD1 LEU 40 -7.305 -2.162 -7.658 300 3HD1 LEU 40 3HD1 LEU 40 -7.533 -2.989 -9.201 301 1HD2 LEU 40 1HD2 LEU 40 -4.900 -1.993 -6.694 302 2HD2 LEU 40 2HD2 LEU 40 -4.168 -3.548 -7.089 303 3HD2 LEU 40 3HD2 LEU 40 -5.861 -3.468 -6.597 304 H ALA 41 H ALA 41 -3.262 -4.225 -11.572 305 HA ALA 41 HA ALA 41 -3.880 -6.714 -12.825 306 1HB ALA 41 1HB ALA 41 -3.072 -5.732 -14.836 307 2HB ALA 41 2HB ALA 41 -2.170 -4.508 -13.939 308 3HB ALA 41 3HB ALA 41 -3.934 -4.473 -13.952 309 H ALA 42 H ALA 42 -0.907 -5.065 -11.955 310 HA ALA 42 HA ALA 42 0.911 -6.980 -12.899 311 1HB ALA 42 1HB ALA 42 1.049 -4.526 -11.562 312 2HB ALA 42 2HB ALA 42 2.390 -5.461 -12.220 313 3HB ALA 42 3HB ALA 42 1.917 -5.668 -10.532 314 H LEU 43 H LEU 43 -0.937 -6.779 -9.956 315 HA LEU 43 HA LEU 43 0.502 -8.699 -8.468 316 1HB LEU 43 2HB LEU 43 -2.164 -7.405 -8.264 317 2HB LEU 43 1HB LEU 43 -1.863 -8.839 -7.301 318 HG LEU 43 HG LEU 43 0.010 -6.501 -7.234 319 1HD1 LEU 43 1HD1 LEU 43 -2.172 -5.607 -6.695 320 2HD1 LEU 43 2HD1 LEU 43 -1.191 -5.726 -5.234 321 3HD1 LEU 43 3HD1 LEU 43 -2.446 -6.919 -5.550 322 1HD2 LEU 43 1HD2 LEU 43 -0.294 -9.050 -5.845 323 2HD2 LEU 43 2HD2 LEU 43 -0.073 -7.672 -4.767 324 3HD2 LEU 43 3HD2 LEU 43 1.121 -8.012 -6.020 325 H ALA 44 H ALA 44 -1.763 -8.978 -11.022 326 HA ALA 44 HA ALA 44 -2.966 -11.422 -10.484 327 1HB ALA 44 1HB ALA 44 -3.178 -9.667 -12.484 328 2HB ALA 44 2HB ALA 44 -3.757 -11.329 -12.607 329 3HB ALA 44 3HB ALA 44 -2.192 -10.889 -13.289 330 H SER 45 H SER 45 0.317 -10.752 -11.212 331 HA SER 45 HA SER 45 0.819 -13.600 -11.631 332 1HB SER 45 2HB SER 45 1.360 -12.574 -13.687 333 2HB SER 45 1HB SER 45 2.151 -11.218 -12.886 334 HG SER 45 HG SER 45 3.426 -13.130 -13.839 335 H LYS 46 H LYS 46 1.158 -11.207 -9.402 336 HA LYS 46 HA LYS 46 3.084 -12.694 -7.921 337 1HB LYS 46 2HB LYS 46 4.214 -10.898 -9.649 338 2HB LYS 46 1HB LYS 46 4.078 -9.946 -8.176 339 1HG LYS 46 2HG LYS 46 5.101 -12.349 -7.289 340 2HG LYS 46 1HG LYS 46 5.907 -12.097 -8.840 341 1HD LYS 46 2HD LYS 46 6.306 -9.690 -7.962 342 2HD LYS 46 1HD LYS 46 5.958 -10.386 -6.379 343 1HE LYS 46 2HE LYS 46 8.092 -11.006 -6.278 344 2HE LYS 46 1HE LYS 46 7.747 -12.163 -7.565 345 1HZ LYS 46 1HZ LYS 46 9.646 -10.568 -7.953 346 2HZ LYS 46 2HZ LYS 46 8.485 -9.352 -8.128 347 3HZ LYS 46 3HZ LYS 46 8.494 -10.667 -9.190 348 H THR 47 H THR 47 3.407 -11.878 -5.761 349 HA THR 47 HA THR 47 1.582 -9.780 -4.932 350 HB THR 47 HB THR 47 1.662 -12.532 -3.701 351 HG1 THR 47 1HG THR 47 0.387 -12.351 -5.593 352 1HG2 THR 47 1HG2 THR 47 -0.131 -11.767 -2.237 353 2HG2 THR 47 2HG2 THR 47 0.054 -10.129 -2.865 354 3HG2 THR 47 3HG2 THR 47 1.367 -10.880 -1.951 355 HA PRO 48 HA PRO 48 5.378 -8.873 -2.701 356 1HB PRO 48 2HB PRO 48 4.614 -6.452 -1.760 357 2HB PRO 48 1HB PRO 48 5.141 -6.696 -3.430 358 1HG PRO 48 2HG PRO 48 2.370 -6.479 -2.330 359 2HG PRO 48 1HG PRO 48 3.042 -5.788 -3.814 360 1HD PRO 48 2HD PRO 48 1.521 -8.042 -3.779 361 2HD PRO 48 1HD PRO 48 2.770 -7.726 -5.000 362 H ASP 49 H ASP 49 5.898 -8.407 -0.415 363 HA ASP 49 HA ASP 49 4.182 -9.908 1.309 364 1HB ASP 49 2HB ASP 49 6.739 -8.375 1.818 365 2HB ASP 49 1HB ASP 49 5.897 -9.290 3.066 366 H VAL 50 H VAL 50 4.687 -6.521 0.664 367 HA VAL 50 HA VAL 50 2.479 -5.874 2.461 368 HB VAL 50 HB VAL 50 4.442 -5.594 3.871 369 1HG1 VAL 50 1HG1 VAL 50 5.818 -5.028 1.668 370 2HG1 VAL 50 2HG1 VAL 50 6.357 -4.538 3.276 371 3HG1 VAL 50 3HG1 VAL 50 5.525 -3.382 2.233 372 1HG2 VAL 50 1HG2 VAL 50 3.153 -3.026 2.975 373 2HG2 VAL 50 2HG2 VAL 50 4.196 -3.148 4.392 374 3HG2 VAL 50 3HG2 VAL 50 2.687 -4.058 4.327 375 H LEU 51 H LEU 51 1.119 -5.024 0.966 376 HA LEU 51 HA LEU 51 2.120 -3.344 -1.173 377 1HB LEU 51 2HB LEU 51 0.368 -5.076 -1.525 378 2HB LEU 51 1HB LEU 51 -0.724 -4.127 -0.541 379 HG LEU 51 HG LEU 51 -0.724 -2.339 -2.176 380 1HD1 LEU 51 1HD1 LEU 51 0.928 -2.021 -3.614 381 2HD1 LEU 51 2HD1 LEU 51 0.651 -3.604 -4.339 382 3HD1 LEU 51 3HD1 LEU 51 1.731 -3.448 -2.961 383 1HD2 LEU 51 1HD2 LEU 51 -1.154 -5.068 -3.416 384 2HD2 LEU 51 2HD2 LEU 51 -1.726 -3.549 -4.106 385 3HD2 LEU 51 3HD2 LEU 51 -2.347 -4.097 -2.550 386 H LEU 52 H LEU 52 2.016 -1.199 -1.325 387 HA LEU 52 HA LEU 52 0.589 0.298 0.785 388 1HB LEU 52 2HB LEU 52 3.287 0.363 0.128 389 2HB LEU 52 1HB LEU 52 2.637 1.778 -0.675 390 HG LEU 52 HG LEU 52 2.062 1.283 2.227 391 1HD1 LEU 52 1HD1 LEU 52 4.236 1.431 2.688 392 2HD1 LEU 52 2HD1 LEU 52 4.121 3.113 2.175 393 3HD1 LEU 52 3HD1 LEU 52 4.644 1.877 1.032 394 1HD2 LEU 52 1HD2 LEU 52 1.817 3.507 0.292 395 2HD2 LEU 52 2HD2 LEU 52 2.307 3.932 1.931 396 3HD2 LEU 52 3HD2 LEU 52 0.791 3.072 1.660 397 H SER 53 H SER 53 -1.100 1.489 0.089 398 HA SER 53 HA SER 53 -1.095 2.375 -2.721 399 1HB SER 53 2HB SER 53 -2.971 0.657 -1.367 400 2HB SER 53 1HB SER 53 -3.785 2.117 -1.930 401 HG SER 53 HG SER 53 -3.019 0.010 -3.351 402 H ASP 54 H ASP 54 -1.767 4.395 -3.184 403 HA ASP 54 HA ASP 54 -1.995 6.244 -0.968 404 1HB ASP 54 2HB ASP 54 -0.920 6.444 -3.495 405 2HB ASP 54 1HB ASP 54 -2.444 7.308 -3.672 406 H ILE 55 H ILE 55 -3.683 8.172 -1.873 407 HA ILE 55 HA ILE 55 -6.218 7.028 -2.617 408 HB ILE 55 HB ILE 55 -6.350 6.534 -0.312 409 1HG1 ILE 55 2HG1 ILE 55 -7.820 9.128 -0.833 410 2HG1 ILE 55 1HG1 ILE 55 -8.409 7.507 -1.168 411 1HG2 ILE 55 1HG2 ILE 55 -5.507 9.352 0.280 412 2HG2 ILE 55 2HG2 ILE 55 -4.494 7.914 0.433 413 3HG2 ILE 55 3HG2 ILE 55 -5.915 8.110 1.465 414 1HD1 ILE 55 1HD1 ILE 55 -9.496 7.927 0.778 415 2HD1 ILE 55 2HD1 ILE 55 -8.210 8.959 1.405 416 3HD1 ILE 55 3HD1 ILE 55 -8.021 7.204 1.421 417 H ARG 56 H ARG 56 -6.159 8.436 -4.353 418 HA ARG 56 HA ARG 56 -7.424 10.868 -4.135 419 1HB ARG 56 2HB ARG 56 -5.593 12.489 -4.580 420 2HB ARG 56 1HB ARG 56 -5.500 11.767 -2.980 421 1HG ARG 56 2HG ARG 56 -3.783 10.202 -3.834 422 2HG ARG 56 1HG ARG 56 -3.836 11.043 -5.384 423 1HD ARG 56 2HD ARG 56 -3.287 12.500 -2.815 424 2HD ARG 56 1HD ARG 56 -2.002 11.700 -3.717 425 HE ARG 56 HE ARG 56 -3.648 13.569 -5.209 426 1HH1 ARG 56 1HH1 ARG 56 -0.683 13.039 -3.438 427 2HH1 ARG 56 2HH1 ARG 56 0.131 14.386 -4.159 428 1HH2 ARG 56 1HH2 ARG 56 -2.573 15.342 -6.150 429 2HH2 ARG 56 2HH2 ARG 56 -0.938 15.691 -5.693 430 H MET 57 H MET 57 -7.634 8.772 -5.881 431 HA MET 57 HA MET 57 -7.310 10.130 -8.388 432 1HB MET 57 2HB MET 57 -5.086 9.066 -8.054 433 2HB MET 57 1HB MET 57 -5.868 7.497 -8.058 434 1HG MET 57 2HG MET 57 -5.266 7.577 -10.231 435 2HG MET 57 1HG MET 57 -6.816 8.408 -10.362 436 1HE MET 57 1HE MET 57 -6.074 11.872 -11.410 437 2HE MET 57 2HE MET 57 -6.609 11.430 -9.788 438 3HE MET 57 3HE MET 57 -7.209 10.540 -11.189 439 HA PRO 58 HA PRO 58 -9.669 5.941 -9.313 440 1HB PRO 58 2HB PRO 58 -10.344 4.591 -6.973 441 2HB PRO 58 1HB PRO 58 -9.062 4.121 -8.095 442 1HG PRO 58 2HG PRO 58 -8.880 5.659 -5.540 443 2HG PRO 58 1HG PRO 58 -7.788 4.419 -6.185 444 1HD PRO 58 2HD PRO 58 -7.141 6.999 -6.319 445 2HD PRO 58 1HD PRO 58 -6.781 5.902 -7.671 446 H GLY 59 H GLY 59 -11.985 5.253 -8.722 447 1HA GLY 59 2HA GLY 59 -13.626 7.473 -8.529 448 2HA GLY 59 1HA GLY 59 -14.151 5.827 -8.205 449 H MET 60 H MET 60 -13.157 5.049 -5.954 450 HA MET 60 HA MET 60 -14.316 6.829 -3.990 451 1HB MET 60 2HB MET 60 -14.332 4.160 -4.174 452 2HB MET 60 1HB MET 60 -12.895 4.345 -3.180 453 1HG MET 60 2HG MET 60 -14.227 4.437 -1.420 454 2HG MET 60 1HG MET 60 -14.768 6.011 -1.996 455 1HE MET 60 1HE MET 60 -17.424 3.018 -0.772 456 2HE MET 60 2HE MET 60 -17.339 4.727 -0.344 457 3HE MET 60 3HE MET 60 -15.904 3.710 -0.208 458 H ASP 61 H ASP 61 -12.256 8.188 -4.962 459 HA ASP 61 HA ASP 61 -10.332 9.287 -4.478 460 1HB ASP 61 2HB ASP 61 -11.591 8.654 -1.933 461 2HB ASP 61 1HB ASP 61 -9.843 8.815 -1.782 462 H GLY 62 H GLY 62 -10.072 6.579 -2.211 463 1HA GLY 62 2HA GLY 62 -7.848 5.463 -3.739 464 2HA GLY 62 1HA GLY 62 -7.505 6.001 -2.102 465 H LEU 63 H LEU 63 -10.035 5.244 -0.993 466 HA LEU 63 HA LEU 63 -9.471 2.678 -0.155 467 1HB LEU 63 2HB LEU 63 -12.244 3.845 -0.253 468 2HB LEU 63 1HB LEU 63 -11.648 2.605 0.837 469 HG LEU 63 HG LEU 63 -9.945 4.585 1.465 470 1HD1 LEU 63 1HD1 LEU 63 -11.564 6.619 1.696 471 2HD1 LEU 63 2HD1 LEU 63 -12.340 5.901 0.286 472 3HD1 LEU 63 3HD1 LEU 63 -10.643 6.371 0.213 473 1HD2 LEU 63 1HD2 LEU 63 -11.158 4.863 3.446 474 2HD2 LEU 63 2HD2 LEU 63 -11.527 3.227 2.898 475 3HD2 LEU 63 3HD2 LEU 63 -12.696 4.519 2.653 476 H ALA 64 H ALA 64 -10.993 3.758 -3.056 477 HA ALA 64 HA ALA 64 -12.468 1.500 -3.797 478 1HB ALA 64 1HB ALA 64 -10.967 2.829 -5.954 479 2HB ALA 64 2HB ALA 64 -11.951 3.894 -4.948 480 3HB ALA 64 3HB ALA 64 -12.699 2.535 -5.793 481 H LEU 65 H LEU 65 -9.036 2.178 -3.889 482 HA LEU 65 HA LEU 65 -8.158 0.093 -5.542 483 1HB LEU 65 2HB LEU 65 -6.992 1.980 -3.674 484 2HB LEU 65 1HB LEU 65 -6.200 0.425 -3.566 485 HG LEU 65 HG LEU 65 -6.565 1.379 -6.316 486 1HD1 LEU 65 1HD1 LEU 65 -5.621 3.385 -6.200 487 2HD1 LEU 65 2HD1 LEU 65 -4.293 2.764 -5.220 488 3HD1 LEU 65 3HD1 LEU 65 -5.782 3.305 -4.446 489 1HD2 LEU 65 1HD2 LEU 65 -4.881 -0.037 -6.604 490 2HD2 LEU 65 2HD2 LEU 65 -4.930 -0.395 -4.877 491 3HD2 LEU 65 3HD2 LEU 65 -3.867 0.874 -5.485 492 H LEU 66 H LEU 66 -8.975 0.200 -2.136 493 HA LEU 66 HA LEU 66 -7.941 -2.310 -1.393 494 1HB LEU 66 2HB LEU 66 -10.184 -0.663 -0.236 495 2HB LEU 66 1HB LEU 66 -9.609 -2.151 0.491 496 HG LEU 66 HG LEU 66 -8.613 -0.299 1.652 497 1HD1 LEU 66 1HD1 LEU 66 -6.447 -1.335 -0.146 498 2HD1 LEU 66 2HD1 LEU 66 -7.228 -2.354 1.063 499 3HD1 LEU 66 3HD1 LEU 66 -6.350 -0.907 1.561 500 1HD2 LEU 66 1HD2 LEU 66 -8.801 1.077 -0.645 501 2HD2 LEU 66 2HD2 LEU 66 -7.081 0.691 -0.660 502 3HD2 LEU 66 3HD2 LEU 66 -7.780 1.564 0.702 503 H LYS 67 H LYS 67 -11.094 -1.281 -2.560 504 HA LYS 67 HA LYS 67 -12.489 -3.655 -2.319 505 1HB LYS 67 2HB LYS 67 -12.651 -1.470 -4.388 506 2HB LYS 67 1HB LYS 67 -13.766 -2.832 -4.370 507 1HG LYS 67 2HG LYS 67 -13.392 -1.228 -1.886 508 2HG LYS 67 1HG LYS 67 -14.385 -0.586 -3.194 509 1HD LYS 67 2HD LYS 67 -15.985 -1.714 -2.013 510 2HD LYS 67 1HD LYS 67 -15.453 -2.999 -3.099 511 1HE LYS 67 2HE LYS 67 -14.234 -4.071 -1.434 512 2HE LYS 67 1HE LYS 67 -14.149 -2.623 -0.430 513 1HZ LYS 67 1HZ LYS 67 -16.740 -2.960 -0.416 514 2HZ LYS 67 2HZ LYS 67 -15.743 -3.781 0.675 515 3HZ LYS 67 3HZ LYS 67 -16.313 -4.571 -0.707 516 H GLN 68 H GLN 68 -10.523 -2.530 -5.069 517 HA GLN 68 HA GLN 68 -10.827 -4.837 -6.647 518 1HB GLN 68 2HB GLN 68 -8.420 -3.025 -6.607 519 2HB GLN 68 1HB GLN 68 -8.951 -4.047 -7.931 520 1HG GLN 68 2HG GLN 68 -10.423 -1.652 -6.869 521 2HG GLN 68 1HG GLN 68 -9.435 -1.691 -8.333 522 1HE2 GLN 68 1HE2 GLN 68 -10.152 -2.995 -10.092 523 2HE2 GLN 68 2HE2 GLN 68 -11.829 -3.357 -10.289 524 H ILE 69 H ILE 69 -8.511 -3.939 -4.154 525 HA ILE 69 HA ILE 69 -6.624 -5.919 -4.473 526 HB ILE 69 HB ILE 69 -7.556 -4.525 -1.977 527 1HG1 ILE 69 2HG1 ILE 69 -4.848 -4.217 -3.181 528 2HG1 ILE 69 1HG1 ILE 69 -6.202 -3.469 -4.023 529 1HG2 ILE 69 1HG2 ILE 69 -5.078 -5.454 -1.353 530 2HG2 ILE 69 2HG2 ILE 69 -5.741 -6.804 -2.266 531 3HG2 ILE 69 3HG2 ILE 69 -6.588 -6.205 -0.843 532 1HD1 ILE 69 1HD1 ILE 69 -4.720 -2.364 -2.006 533 2HD1 ILE 69 2HD1 ILE 69 -6.167 -2.922 -1.166 534 3HD1 ILE 69 3HD1 ILE 69 -6.309 -1.819 -2.535 535 H LYS 70 H LYS 70 -9.579 -6.030 -2.577 536 HA LYS 70 HA LYS 70 -9.158 -8.651 -1.598 537 1HB LYS 70 2HB LYS 70 -11.441 -8.562 -0.800 538 2HB LYS 70 1HB LYS 70 -10.642 -7.031 -0.488 539 1HG LYS 70 2HG LYS 70 -11.901 -5.895 -2.029 540 2HG LYS 70 1HG LYS 70 -12.248 -7.346 -2.975 541 1HD LYS 70 2HD LYS 70 -13.339 -7.788 -0.419 542 2HD LYS 70 1HD LYS 70 -13.774 -6.136 -0.861 543 1HE LYS 70 2HE LYS 70 -15.524 -7.411 -1.716 544 2HE LYS 70 1HE LYS 70 -14.484 -7.143 -3.113 545 1HZ LYS 70 1HZ LYS 70 -14.675 -9.599 -1.463 546 2HZ LYS 70 2HZ LYS 70 -13.489 -9.357 -2.642 547 3HZ LYS 70 3HZ LYS 70 -15.121 -9.417 -3.086 548 H GLN 71 H GLN 71 -10.491 -7.426 -4.536 549 HA GLN 71 HA GLN 71 -11.791 -9.895 -5.210 550 1HB GLN 71 2HB GLN 71 -11.465 -7.269 -6.603 551 2HB GLN 71 1HB GLN 71 -12.098 -8.669 -7.457 552 1HG GLN 71 2HG GLN 71 -14.038 -8.717 -6.220 553 2HG GLN 71 1HG GLN 71 -13.318 -7.856 -4.861 554 1HE2 GLN 71 1HE2 GLN 71 -12.389 -5.617 -5.741 555 2HE2 GLN 71 2HE2 GLN 71 -13.575 -4.660 -6.552 556 H ARG 72 H ARG 72 -8.896 -8.178 -6.196 557 HA ARG 72 HA ARG 72 -8.202 -10.394 -7.973 558 1HB ARG 72 2HB ARG 72 -6.968 -7.655 -7.738 559 2HB ARG 72 1HB ARG 72 -6.482 -8.889 -8.897 560 1HG ARG 72 2HG ARG 72 -9.196 -8.664 -9.310 561 2HG ARG 72 1HG ARG 72 -8.693 -7.004 -8.984 562 1HD ARG 72 2HD ARG 72 -6.961 -8.546 -10.803 563 2HD ARG 72 1HD ARG 72 -8.569 -8.166 -11.413 564 HE ARG 72 HE ARG 72 -6.661 -6.128 -10.455 565 1HH1 ARG 72 1HH1 ARG 72 -9.150 -7.176 -12.683 566 2HH1 ARG 72 2HH1 ARG 72 -9.122 -5.704 -13.591 567 1HH2 ARG 72 1HH2 ARG 72 -6.641 -4.199 -11.661 568 2HH2 ARG 72 2HH2 ARG 72 -7.703 -4.021 -13.013 569 H HIS 73 H HIS 73 -6.890 -8.574 -5.264 570 HA HIS 73 HA HIS 73 -4.525 -10.240 -5.187 571 1HB HIS 73 2HB HIS 73 -5.234 -8.357 -2.973 572 2HB HIS 73 1HB HIS 73 -3.650 -8.800 -3.586 573 HD1 HIS 73 1HD HIS 73 -3.882 -5.934 -3.282 574 HD2 HIS 73 2HD HIS 73 -5.372 -7.796 -6.661 575 HE1 HIS 73 1HE HIS 73 -4.005 -4.144 -5.044 576 HE2 HIS 73 2HE HIS 73 -5.153 -5.263 -6.983 577 HA PRO 74 HA PRO 74 -6.252 -13.320 -2.501 578 1HB PRO 74 2HB PRO 74 -3.497 -13.873 -1.628 579 2HB PRO 74 1HB PRO 74 -4.632 -14.918 -2.486 580 1HG PRO 74 2HG PRO 74 -2.468 -13.880 -3.693 581 2HG PRO 74 1HG PRO 74 -3.998 -14.124 -4.557 582 1HD PRO 74 2HD PRO 74 -2.851 -11.603 -3.412 583 2HD PRO 74 1HD PRO 74 -3.676 -11.863 -4.963 584 H MET 75 H MET 75 -6.939 -11.269 -1.229 585 HA MET 75 HA MET 75 -7.131 -10.126 0.726 586 1HB MET 75 2HB MET 75 -7.402 -11.469 2.589 587 2HB MET 75 1HB MET 75 -7.565 -12.629 1.288 588 1HG MET 75 2HG MET 75 -4.873 -12.698 1.843 589 2HG MET 75 1HG MET 75 -5.607 -12.476 3.428 590 1HE MET 75 1HE MET 75 -5.030 -14.355 4.523 591 2HE MET 75 2HE MET 75 -4.197 -15.431 3.403 592 3HE MET 75 3HE MET 75 -5.621 -15.999 4.274 593 H LEU 76 H LEU 76 -4.664 -9.759 -0.655 594 HA LEU 76 HA LEU 76 -2.442 -9.806 1.084 595 1HB LEU 76 2HB LEU 76 -2.202 -9.692 -1.331 596 2HB LEU 76 1HB LEU 76 -2.995 -8.129 -1.361 597 HG LEU 76 HG LEU 76 -1.051 -7.321 0.114 598 1HD1 LEU 76 1HD1 LEU 76 -0.385 -10.033 -0.029 599 2HD1 LEU 76 2HD1 LEU 76 0.588 -8.724 0.639 600 3HD1 LEU 76 3HD1 LEU 76 0.786 -9.198 -1.047 601 1HD2 LEU 76 1HD2 LEU 76 -1.438 -6.790 -2.302 602 2HD2 LEU 76 2HD2 LEU 76 -0.393 -8.154 -2.706 603 3HD2 LEU 76 3HD2 LEU 76 0.257 -6.782 -1.811 604 HA PRO 77 HA PRO 77 -3.471 -6.367 3.729 605 1HB PRO 77 2HB PRO 77 -0.939 -5.875 4.664 606 2HB PRO 77 1HB PRO 77 -1.997 -7.141 5.294 607 1HG PRO 77 2HG PRO 77 0.257 -7.347 3.346 608 2HG PRO 77 1HG PRO 77 -0.199 -8.447 4.660 609 1HD PRO 77 2HD PRO 77 -0.782 -8.963 2.074 610 2HD PRO 77 1HD PRO 77 -1.843 -9.467 3.404 611 H VAL 78 H VAL 78 -3.802 -4.332 3.138 612 HA VAL 78 HA VAL 78 -1.809 -3.013 1.409 613 HB VAL 78 HB VAL 78 -4.738 -2.316 1.477 614 1HG1 VAL 78 1HG1 VAL 78 -4.325 -0.922 -0.258 615 2HG1 VAL 78 2HG1 VAL 78 -3.044 -1.939 -0.917 616 3HG1 VAL 78 3HG1 VAL 78 -2.717 -0.894 0.464 617 1HG2 VAL 78 1HG2 VAL 78 -3.729 -4.747 0.572 618 2HG2 VAL 78 2HG2 VAL 78 -3.920 -3.773 -0.885 619 3HG2 VAL 78 3HG2 VAL 78 -5.297 -4.041 0.184 620 H ILE 79 H ILE 79 -1.352 -0.840 1.761 621 HA ILE 79 HA ILE 79 -2.337 0.272 4.305 622 HB ILE 79 HB ILE 79 0.405 0.739 3.152 623 1HG1 ILE 79 2HG1 ILE 79 0.523 -0.708 5.594 624 2HG1 ILE 79 1HG1 ILE 79 -0.602 -1.554 4.538 625 1HG2 ILE 79 1HG2 ILE 79 -0.922 2.314 4.841 626 2HG2 ILE 79 2HG2 ILE 79 0.822 2.074 4.933 627 3HG2 ILE 79 3HG2 ILE 79 -0.250 1.171 6.003 628 1HD1 ILE 79 1HD1 ILE 79 1.015 -2.215 3.128 629 2HD1 ILE 79 2HD1 ILE 79 2.049 -1.948 4.533 630 3HD1 ILE 79 3HD1 ILE 79 1.919 -0.708 3.287 631 H ILE 80 H ILE 80 -3.605 1.956 3.889 632 HA ILE 80 HA ILE 80 -3.063 3.590 1.527 633 HB ILE 80 HB ILE 80 -5.482 3.756 3.300 634 1HG1 ILE 80 2HG1 ILE 80 -5.267 1.476 2.416 635 2HG1 ILE 80 1HG1 ILE 80 -6.613 2.323 1.666 636 1HG2 ILE 80 1HG2 ILE 80 -4.934 5.664 1.771 637 2HG2 ILE 80 2HG2 ILE 80 -6.499 4.907 1.475 638 3HG2 ILE 80 3HG2 ILE 80 -5.135 4.552 0.417 639 1HD1 ILE 80 1HD1 ILE 80 -5.223 0.953 0.115 640 2HD1 ILE 80 2HD1 ILE 80 -3.899 2.080 0.405 641 3HD1 ILE 80 3HD1 ILE 80 -5.390 2.647 -0.345 642 H MET 81 H MET 81 -2.754 5.790 1.594 643 HA MET 81 HA MET 81 -1.451 6.804 3.904 644 1HB MET 81 2HB MET 81 -0.850 7.519 1.653 645 2HB MET 81 1HB MET 81 -2.435 8.248 1.435 646 1HG MET 81 2HG MET 81 -1.971 9.953 2.993 647 2HG MET 81 1HG MET 81 -0.545 9.112 3.601 648 1HE MET 81 1HE MET 81 -1.794 11.826 2.017 649 2HE MET 81 2HE MET 81 -0.736 12.360 0.713 650 3HE MET 81 3HE MET 81 -0.184 12.444 2.386 651 H THR 82 H THR 82 -4.332 8.163 2.313 652 HA THR 82 HA THR 82 -5.232 9.140 4.935 653 HB THR 82 HB THR 82 -6.273 10.065 2.265 654 HG1 THR 82 1HG THR 82 -3.912 10.293 2.516 655 1HG2 THR 82 1HG2 THR 82 -6.859 10.792 4.938 656 2HG2 THR 82 2HG2 THR 82 -7.495 11.472 3.440 657 3HG2 THR 82 3HG2 THR 82 -6.032 12.143 4.165 658 H ALA 83 H ALA 83 -7.734 9.284 5.108 659 HA ALA 83 HA ALA 83 -8.912 6.839 3.963 660 1HB ALA 83 1HB ALA 83 -8.545 7.594 6.726 661 2HB ALA 83 2HB ALA 83 -9.015 6.041 6.031 662 3HB ALA 83 3HB ALA 83 -10.240 7.270 6.361 663 H HIS 84 H HIS 84 -9.147 10.131 3.986 664 HA HIS 84 HA HIS 84 -10.868 11.662 3.829 665 1HB HIS 84 2HB HIS 84 -11.246 9.668 1.610 666 2HB HIS 84 1HB HIS 84 -12.022 11.251 1.631 667 HD1 HIS 84 1HD HIS 84 -9.516 9.949 -0.172 668 HD2 HIS 84 2HD HIS 84 -9.505 13.062 2.572 669 HE1 HIS 84 1HE HIS 84 -7.463 11.296 -0.680 670 HE2 HIS 84 2HE HIS 84 -7.449 13.151 1.012 671 H SER 85 H SER 85 -13.435 11.370 2.644 672 HA SER 85 HA SER 85 -14.925 10.624 4.987 673 1HB SER 85 2HB SER 85 -15.675 11.848 2.341 674 2HB SER 85 1HB SER 85 -16.896 11.367 3.519 675 HG SER 85 HG SER 85 -15.488 12.707 5.015 676 H ASP 86 H ASP 86 -14.157 9.125 1.966 677 HA ASP 86 HA ASP 86 -16.388 7.298 1.999 678 1HB ASP 86 2HB ASP 86 -13.837 7.257 0.372 679 2HB ASP 86 1HB ASP 86 -15.219 6.196 0.118 680 H LEU 87 H LEU 87 -14.423 7.453 4.294 681 HA LEU 87 HA LEU 87 -12.707 5.398 4.609 682 1HB LEU 87 2HB LEU 87 -13.338 7.191 6.247 683 2HB LEU 87 1HB LEU 87 -14.729 6.221 6.682 684 HG LEU 87 HG LEU 87 -12.696 6.112 8.209 685 1HD1 LEU 87 1HD1 LEU 87 -14.669 4.342 7.707 686 2HD1 LEU 87 2HD1 LEU 87 -13.449 4.145 8.966 687 3HD1 LEU 87 3HD1 LEU 87 -13.247 3.344 7.408 688 1HD2 LEU 87 1HD2 LEU 87 -11.272 5.701 5.979 689 2HD2 LEU 87 2HD2 LEU 87 -11.564 4.033 6.460 690 3HD2 LEU 87 3HD2 LEU 87 -10.764 5.139 7.573 691 H ASP 88 H ASP 88 -16.136 5.089 4.298 692 HA ASP 88 HA ASP 88 -16.725 2.732 5.560 693 1HB ASP 88 2HB ASP 88 -17.721 3.827 2.936 694 2HB ASP 88 1HB ASP 88 -18.382 2.362 3.658 695 H ALA 89 H ALA 89 -15.084 3.116 2.445 696 HA ALA 89 HA ALA 89 -15.123 0.359 1.792 697 1HB ALA 89 1HB ALA 89 -13.751 2.758 0.699 698 2HB ALA 89 2HB ALA 89 -14.834 1.609 -0.094 699 3HB ALA 89 3HB ALA 89 -13.159 1.160 0.235 700 H ALA 90 H ALA 90 -13.072 2.247 3.825 701 HA ALA 90 HA ALA 90 -10.805 0.503 3.706 702 1HB ALA 90 1HB ALA 90 -9.934 1.732 5.586 703 2HB ALA 90 2HB ALA 90 -11.520 2.441 5.897 704 3HB ALA 90 3HB ALA 90 -10.635 2.868 4.434 705 H VAL 91 H VAL 91 -13.756 0.628 5.567 706 HA VAL 91 HA VAL 91 -12.963 -1.056 7.661 707 HB VAL 91 HB VAL 91 -15.769 -1.094 6.602 708 1HG1 VAL 91 1HG1 VAL 91 -14.338 -1.903 9.012 709 2HG1 VAL 91 2HG1 VAL 91 -15.926 -2.401 8.414 710 3HG1 VAL 91 3HG1 VAL 91 -15.764 -0.916 9.353 711 1HG2 VAL 91 1HG2 VAL 91 -16.183 0.897 8.063 712 2HG2 VAL 91 2HG2 VAL 91 -15.213 1.245 6.632 713 3HG2 VAL 91 3HG2 VAL 91 -14.436 1.089 8.207 714 H SER 92 H SER 92 -14.440 -1.764 4.517 715 HA SER 92 HA SER 92 -14.516 -4.569 4.916 716 1HB SER 92 2HB SER 92 -14.994 -4.746 2.557 717 2HB SER 92 1HB SER 92 -15.877 -3.359 3.192 718 HG SER 92 HG SER 92 -13.523 -2.464 2.405 719 H ALA 93 H ALA 93 -12.039 -2.323 4.105 720 HA ALA 93 HA ALA 93 -10.274 -4.050 2.757 721 1HB ALA 93 1HB ALA 93 -8.522 -2.421 3.423 722 2HB ALA 93 2HB ALA 93 -9.733 -1.591 4.394 723 3HB ALA 93 3HB ALA 93 -9.920 -1.683 2.641 724 H TYR 94 H TYR 94 -10.820 -3.302 6.118 725 HA TYR 94 HA TYR 94 -8.666 -4.845 7.158 726 1HB TYR 94 2HB TYR 94 -11.211 -4.250 8.658 727 2HB TYR 94 1HB TYR 94 -9.586 -4.445 9.302 728 HD1 TYR 94 1HD TYR 94 -12.012 -2.118 8.943 729 HD2 TYR 94 2HD TYR 94 -7.903 -2.648 7.946 730 HE1 TYR 94 1HE TYR 94 -11.706 0.321 8.903 731 HE2 TYR 94 2HE TYR 94 -7.592 -0.208 7.905 732 HH TYR 94 HH TYR 94 -8.530 1.785 8.425 733 H GLN 95 H GLN 95 -11.824 -5.524 6.006 734 HA GLN 95 HA GLN 95 -12.268 -7.980 7.356 735 1HB GLN 95 2HB GLN 95 -14.230 -7.136 6.496 736 2HB GLN 95 1HB GLN 95 -13.474 -6.588 5.012 737 1HG GLN 95 2HG GLN 95 -13.717 -9.512 5.504 738 2HG GLN 95 1HG GLN 95 -15.147 -8.598 5.023 739 1HE2 GLN 95 1HE2 GLN 95 -14.266 -6.833 3.230 740 2HE2 GLN 95 2HE2 GLN 95 -13.550 -7.625 1.871 741 H GLN 96 H GLN 96 -10.935 -7.203 4.149 742 HA GLN 96 HA GLN 96 -10.406 -9.948 3.560 743 1HB GLN 96 2HB GLN 96 -9.343 -9.157 1.545 744 2HB GLN 96 1HB GLN 96 -10.848 -8.283 1.785 745 1HG GLN 96 2HG GLN 96 -8.736 -6.835 3.030 746 2HG GLN 96 1HG GLN 96 -8.260 -7.246 1.381 747 1HE2 GLN 96 1HE2 GLN 96 -8.394 -5.113 0.691 748 2HE2 GLN 96 2HE2 GLN 96 -9.906 -4.311 0.467 749 H GLY 97 H GLY 97 -8.801 -7.516 5.356 750 1HA GLY 97 2HA GLY 97 -7.029 -8.402 6.818 751 2HA GLY 97 1HA GLY 97 -6.382 -9.216 5.404 752 H ALA 98 H ALA 98 -7.550 -5.884 5.436 753 HA ALA 98 HA ALA 98 -5.223 -4.895 4.203 754 1HB ALA 98 1HB ALA 98 -7.033 -3.529 3.843 755 2HB ALA 98 2HB ALA 98 -6.191 -2.637 5.112 756 3HB ALA 98 3HB ALA 98 -7.585 -3.639 5.515 757 H PHE 99 H PHE 99 -3.622 -3.401 5.091 758 HA PHE 99 HA PHE 99 -2.671 -4.305 7.628 759 1HB PHE 99 2HB PHE 99 -1.249 -3.615 5.598 760 2HB PHE 99 1HB PHE 99 -1.530 -1.960 6.137 761 HD1 PHE 99 1HD PHE 99 -0.474 -5.239 7.567 762 HD2 PHE 99 2HD PHE 99 0.048 -1.018 7.514 763 HE1 PHE 99 1HE PHE 99 1.362 -5.453 9.187 764 HE2 PHE 99 2HE PHE 99 1.893 -1.223 9.133 765 HZ PHE 99 HZ PHE 99 2.551 -3.442 9.968 766 H ASP 100 H ASP 100 -3.682 -1.111 6.387 767 HA ASP 100 HA ASP 100 -5.257 -0.335 8.482 768 1HB ASP 100 2HB ASP 100 -2.525 -0.437 9.333 769 2HB ASP 100 1HB ASP 100 -3.047 1.243 9.330 770 H TYR 101 H TYR 101 -4.666 2.286 8.946 771 HA TYR 101 HA TYR 101 -4.351 3.525 6.306 772 1HB TYR 101 2HB TYR 101 -6.767 3.492 8.002 773 2HB TYR 101 1HB TYR 101 -6.305 5.082 7.409 774 HD1 TYR 101 1HD TYR 101 -7.058 1.614 6.274 775 HD2 TYR 101 2HD TYR 101 -6.855 5.739 5.231 776 HE1 TYR 101 1HE TYR 101 -8.122 1.119 4.112 777 HE2 TYR 101 2HE TYR 101 -7.925 5.251 3.070 778 HH TYR 101 HH TYR 101 -8.271 3.406 1.561 779 H LEU 102 H LEU 102 -3.716 5.760 6.399 780 HA LEU 102 HA LEU 102 -2.349 6.410 8.913 781 1HB LEU 102 2HB LEU 102 -1.782 6.837 6.065 782 2HB LEU 102 1HB LEU 102 -1.452 8.233 7.070 783 HG LEU 102 HG LEU 102 0.091 6.912 8.425 784 1HD1 LEU 102 1HD1 LEU 102 -1.029 4.739 8.192 785 2HD1 LEU 102 2HD1 LEU 102 0.690 4.657 7.803 786 3HD1 LEU 102 3HD1 LEU 102 -0.506 4.674 6.510 787 1HD2 LEU 102 1HD2 LEU 102 1.190 7.990 6.698 788 2HD2 LEU 102 2HD2 LEU 102 0.448 6.980 5.460 789 3HD2 LEU 102 3HD2 LEU 102 1.708 6.316 6.503 790 HA PRO 103 HA PRO 103 -5.583 9.449 9.579 791 1HB PRO 103 2HB PRO 103 -4.312 10.725 11.672 792 2HB PRO 103 1HB PRO 103 -5.314 9.283 11.832 793 1HG PRO 103 2HG PRO 103 -2.343 9.524 11.728 794 2HG PRO 103 1HG PRO 103 -3.350 8.441 12.703 795 1HD PRO 103 2HD PRO 103 -2.055 7.606 10.485 796 2HD PRO 103 1HD PRO 103 -3.621 6.936 10.982 797 H LYS 104 H LYS 104 -2.386 10.831 10.303 798 HA LYS 104 HA LYS 104 -2.881 12.857 8.231 799 1HB LYS 104 2HB LYS 104 -3.295 13.837 10.428 800 2HB LYS 104 1HB LYS 104 -1.695 13.354 10.964 801 1HG LYS 104 2HG LYS 104 -0.963 14.773 8.850 802 2HG LYS 104 1HG LYS 104 -2.511 15.561 9.166 803 1HD LYS 104 2HD LYS 104 -1.245 15.280 11.662 804 2HD LYS 104 1HD LYS 104 -0.005 15.851 10.543 805 1HE LYS 104 2HE LYS 104 -2.629 17.186 10.361 806 2HE LYS 104 1HE LYS 104 -1.717 17.476 11.842 807 1HZ LYS 104 1HZ LYS 104 -0.202 18.698 10.763 808 2HZ LYS 104 2HZ LYS 104 -1.393 18.857 9.574 809 3HZ LYS 104 3HZ LYS 104 -0.178 17.693 9.402 810 HA PRO 105 HA PRO 105 1.971 12.395 8.754 811 1HB PRO 105 2HB PRO 105 2.079 9.728 10.046 812 2HB PRO 105 1HB PRO 105 3.080 11.156 10.325 813 1HG PRO 105 2HG PRO 105 1.227 10.422 12.094 814 2HG PRO 105 1HG PRO 105 1.521 12.136 11.737 815 1HD PRO 105 2HD PRO 105 -0.683 10.348 10.786 816 2HD PRO 105 1HD PRO 105 -0.755 12.042 11.307 817 H PHE 106 H PHE 106 3.429 11.085 7.458 818 HA PHE 106 HA PHE 106 2.601 8.698 6.178 819 1HB PHE 106 2HB PHE 106 1.031 10.136 4.997 820 2HB PHE 106 1HB PHE 106 2.318 11.258 4.571 821 HD1 PHE 106 1HD PHE 106 1.386 7.673 4.175 822 HD2 PHE 106 2HD PHE 106 3.285 11.080 2.485 823 HE1 PHE 106 1HE PHE 106 1.763 6.421 2.094 824 HE2 PHE 106 2HE PHE 106 3.669 9.837 0.399 825 HZ PHE 106 HZ PHE 106 2.908 7.503 0.200 826 H ASP 107 H ASP 107 4.185 11.119 4.214 827 HA ASP 107 HA ASP 107 6.265 10.997 3.245 828 1HB ASP 107 2HB ASP 107 8.050 11.287 5.157 829 2HB ASP 107 1HB ASP 107 6.883 12.560 4.809 830 H ILE 108 H ILE 108 8.617 10.014 3.558 831 HA ILE 108 HA ILE 108 8.293 7.229 3.258 832 HB ILE 108 HB ILE 108 10.380 9.134 2.797 833 1HG1 ILE 108 2HG1 ILE 108 10.883 7.737 0.964 834 2HG1 ILE 108 1HG1 ILE 108 10.225 6.319 1.760 835 1HG2 ILE 108 1HG2 ILE 108 11.192 6.553 4.093 836 2HG2 ILE 108 2HG2 ILE 108 11.645 8.192 4.559 837 3HG2 ILE 108 3HG2 ILE 108 12.273 7.492 3.063 838 1HD1 ILE 108 1HD1 ILE 108 8.010 7.014 1.397 839 2HD1 ILE 108 2HD1 ILE 108 8.860 7.313 -0.121 840 3HD1 ILE 108 3HD1 ILE 108 8.511 8.652 0.973 841 H ASP 109 H ASP 109 9.833 9.125 5.774 842 HA ASP 109 HA ASP 109 10.847 7.138 7.352 843 1HB ASP 109 2HB ASP 109 10.395 8.733 9.280 844 2HB ASP 109 1HB ASP 109 11.315 9.376 7.923 845 H GLU 110 H GLU 110 7.586 8.564 7.814 846 HA GLU 110 HA GLU 110 6.826 6.586 9.686 847 1HB GLU 110 2HB GLU 110 5.094 8.488 8.102 848 2HB GLU 110 1HB GLU 110 4.563 7.540 9.481 849 1HG GLU 110 2HG GLU 110 6.905 9.302 9.874 850 2HG GLU 110 1HG GLU 110 5.331 10.072 9.673 851 H ALA 111 H ALA 111 6.583 6.862 6.231 852 HA ALA 111 HA ALA 111 4.650 4.825 5.855 853 1HB ALA 111 1HB ALA 111 6.668 6.109 4.048 854 2HB ALA 111 2HB ALA 111 4.909 6.272 4.042 855 3HB ALA 111 3HB ALA 111 5.660 4.766 3.501 856 H VAL 112 H VAL 112 8.165 4.779 5.227 857 HA VAL 112 HA VAL 112 8.420 2.029 4.904 858 HB VAL 112 HB VAL 112 10.507 3.846 6.104 859 1HG1 VAL 112 1HG1 VAL 112 10.553 1.122 5.793 860 2HG1 VAL 112 2HG1 VAL 112 11.974 2.166 5.890 861 3HG1 VAL 112 3HG1 VAL 112 11.335 1.689 4.316 862 1HG2 VAL 112 1HG2 VAL 112 9.378 3.683 3.415 863 2HG2 VAL 112 2HG2 VAL 112 11.137 3.578 3.461 864 3HG2 VAL 112 3HG2 VAL 112 10.316 4.965 4.173 865 H ALA 113 H ALA 113 8.339 3.985 7.764 866 HA ALA 113 HA ALA 113 9.262 2.144 9.663 867 1HB ALA 113 1HB ALA 113 8.090 3.526 11.295 868 2HB ALA 113 2HB ALA 113 7.187 4.307 9.994 869 3HB ALA 113 3HB ALA 113 8.933 4.534 10.117 870 H LEU 114 H LEU 114 6.027 2.846 8.467 871 HA LEU 114 HA LEU 114 4.773 0.827 10.044 872 1HB LEU 114 2HB LEU 114 3.540 2.808 9.526 873 2HB LEU 114 1HB LEU 114 3.819 2.598 7.809 874 HG LEU 114 HG LEU 114 2.478 0.334 8.267 875 1HD1 LEU 114 1HD1 LEU 114 1.907 2.087 10.577 876 2HD1 LEU 114 2HD1 LEU 114 1.850 0.328 10.444 877 3HD1 LEU 114 3HD1 LEU 114 0.524 1.305 9.808 878 1HD2 LEU 114 1HD2 LEU 114 1.604 1.603 6.615 879 2HD2 LEU 114 2HD2 LEU 114 1.649 3.083 7.567 880 3HD2 LEU 114 3HD2 LEU 114 0.380 1.891 7.851 881 H VAL 115 H VAL 115 6.289 0.924 6.948 882 HA VAL 115 HA VAL 115 4.867 -1.329 5.902 883 HB VAL 115 HB VAL 115 6.085 0.534 4.552 884 1HG1 VAL 115 1HG1 VAL 115 8.328 -0.451 5.715 885 2HG1 VAL 115 2HG1 VAL 115 8.301 0.420 4.182 886 3HG1 VAL 115 3HG1 VAL 115 8.319 -1.345 4.195 887 1HG2 VAL 115 1HG2 VAL 115 4.841 -1.181 3.476 888 2HG2 VAL 115 2HG2 VAL 115 6.076 -2.388 3.839 889 3HG2 VAL 115 3HG2 VAL 115 6.412 -1.102 2.681 890 H GLU 116 H GLU 116 7.914 -0.850 7.566 891 HA GLU 116 HA GLU 116 8.924 -3.463 7.150 892 1HB GLU 116 2HB GLU 116 9.541 -1.436 9.301 893 2HB GLU 116 1HB GLU 116 10.463 -2.909 9.022 894 1HG GLU 116 2HG GLU 116 10.126 -1.281 6.627 895 2HG GLU 116 1HG GLU 116 10.984 -0.455 7.928 896 H ARG 117 H ARG 117 7.005 -1.986 9.721 897 HA ARG 117 HA ARG 117 7.047 -4.125 11.522 898 1HB ARG 117 2HB ARG 117 4.929 -2.026 11.056 899 2HB ARG 117 1HB ARG 117 4.939 -3.133 12.424 900 1HG ARG 117 2HG ARG 117 7.156 -1.198 11.804 901 2HG ARG 117 1HG ARG 117 5.836 -0.874 12.928 902 1HD ARG 117 2HD ARG 117 6.903 -1.959 14.544 903 2HD ARG 117 1HD ARG 117 6.976 -3.414 13.553 904 HE ARG 117 HE ARG 117 9.136 -2.845 12.896 905 1HH1 ARG 117 1HH1 ARG 117 7.762 -0.358 14.928 906 2HH1 ARG 117 2HH1 ARG 117 9.286 0.397 15.246 907 1HH2 ARG 117 1HH2 ARG 117 11.137 -1.849 13.311 908 2HH2 ARG 117 2HH2 ARG 117 11.200 -0.448 14.327 909 H ALA 118 H ALA 118 5.318 -3.691 8.571 910 HA ALA 118 HA ALA 118 3.257 -5.578 9.070 911 1HB ALA 118 1HB ALA 118 3.250 -3.745 7.314 912 2HB ALA 118 2HB ALA 118 2.657 -5.325 6.803 913 3HB ALA 118 3HB ALA 118 4.281 -4.804 6.351 914 H ILE 119 H ILE 119 6.394 -5.734 7.457 915 HA ILE 119 HA ILE 119 6.147 -8.461 6.700 916 HB ILE 119 HB ILE 119 8.679 -6.854 6.975 917 1HG1 ILE 119 2HG1 ILE 119 7.398 -7.147 4.327 918 2HG1 ILE 119 1HG1 ILE 119 6.583 -6.069 5.456 919 1HG2 ILE 119 1HG2 ILE 119 9.459 -8.346 5.153 920 2HG2 ILE 119 2HG2 ILE 119 7.982 -9.291 5.357 921 3HG2 ILE 119 3HG2 ILE 119 9.146 -9.175 6.677 922 1HD1 ILE 119 1HD1 ILE 119 8.298 -4.573 5.478 923 2HD1 ILE 119 2HD1 ILE 119 8.427 -5.186 3.829 924 3HD1 ILE 119 3HD1 ILE 119 9.511 -5.791 5.084 925 H SER 120 H SER 120 7.402 -6.765 9.458 926 HA SER 120 HA SER 120 8.913 -8.851 10.597 927 1HB SER 120 2HB SER 120 9.219 -6.572 11.354 928 2HB SER 120 1HB SER 120 7.539 -6.482 11.886 929 HG SER 120 HG SER 120 9.701 -7.859 13.028 930 H HIS 121 H HIS 121 5.538 -7.880 10.981 931 HA HIS 121 HA HIS 121 4.875 -9.702 13.017 932 1HB HIS 121 2HB HIS 121 3.340 -8.095 11.029 933 2HB HIS 121 1HB HIS 121 2.498 -9.393 11.870 934 HD1 HIS 121 1HD HIS 121 3.817 -5.973 12.321 935 HD2 HIS 121 2HD HIS 121 2.276 -9.015 14.695 936 HE1 HIS 121 1HE HIS 121 3.271 -4.894 14.525 937 HE2 HIS 121 2HE HIS 121 2.270 -6.737 15.921 938 H TYR 122 H TYR 122 5.220 -10.064 9.601 939 HA TYR 122 HA TYR 122 3.833 -12.573 9.478 940 1HB TYR 122 2HB TYR 122 5.211 -10.790 7.546 941 2HB TYR 122 1HB TYR 122 5.139 -12.499 7.133 942 HD1 TYR 122 1HD TYR 122 2.577 -13.419 7.912 943 HD2 TYR 122 2HD TYR 122 3.630 -9.598 6.369 944 HE1 TYR 122 1HE TYR 122 0.281 -13.128 7.084 945 HE2 TYR 122 2HE TYR 122 1.337 -9.294 5.536 946 HH TYR 122 HH TYR 122 -0.953 -11.867 5.480 947 H GLN 123 H GLN 123 7.217 -11.554 9.030 948 HA GLN 123 HA GLN 123 9.188 -12.652 9.303 949 1HB GLN 123 2HB GLN 123 7.829 -13.077 11.581 950 2HB GLN 123 1HB GLN 123 7.996 -14.742 11.039 951 1HG GLN 123 2HG GLN 123 10.502 -13.382 10.785 952 2HG GLN 123 1HG GLN 123 9.868 -13.181 12.418 953 1HE2 GLN 123 1HE2 GLN 123 11.694 -14.467 13.068 954 2HE2 GLN 123 2HE2 GLN 123 11.612 -16.189 12.962 955 H GLU 124 H GLU 124 10.091 -15.110 9.401 956 HA GLU 124 HA GLU 124 9.220 -16.254 6.899 957 1HB GLU 124 2HB GLU 124 11.644 -16.095 8.194 958 2HB GLU 124 1HB GLU 124 11.192 -17.775 8.442 959 1HG GLU 124 2HG GLU 124 11.511 -18.314 6.292 960 2HG GLU 124 1HG GLU 124 10.818 -16.803 5.704 Start of MODEL 21 1 1H MET 1 1HT MET 1 14.436 -15.988 6.977 2 2H MET 1 2HT MET 1 13.141 -16.016 5.851 3 3H MET 1 3HT MET 1 13.833 -14.521 6.329 4 HA MET 1 HA MET 1 15.737 -14.859 5.168 5 1HB MET 1 2HB MET 1 16.324 -17.082 4.226 6 2HB MET 1 1HB MET 1 16.220 -17.083 5.981 7 1HG MET 1 2HG MET 1 13.723 -17.830 5.416 8 2HG MET 1 1HG MET 1 14.532 -18.442 3.976 9 1HE MET 1 1HE MET 1 13.450 -20.519 4.665 10 2HE MET 1 2HE MET 1 14.120 -21.691 5.799 11 3HE MET 1 3HE MET 1 14.986 -21.312 4.309 12 H GLN 2 H GLN 2 12.849 -14.338 4.556 13 HA GLN 2 HA GLN 2 12.504 -15.256 1.837 14 1HB GLN 2 2HB GLN 2 10.784 -14.403 3.844 15 2HB GLN 2 1HB GLN 2 10.752 -13.083 2.682 16 1HG GLN 2 2HG GLN 2 10.544 -15.687 1.415 17 2HG GLN 2 1HG GLN 2 9.258 -15.392 2.582 18 1HE2 GLN 2 1HE2 GLN 2 7.722 -15.292 0.930 19 2HE2 GLN 2 2HE2 GLN 2 7.589 -13.919 -0.110 20 H ARG 3 H ARG 3 12.211 -13.759 0.030 21 HA ARG 3 HA ARG 3 14.353 -11.956 -0.184 22 1HB ARG 3 2HB ARG 3 13.226 -11.264 -2.345 23 2HB ARG 3 1HB ARG 3 13.645 -12.962 -2.192 24 1HG ARG 3 2HG ARG 3 11.063 -12.820 -1.206 25 2HG ARG 3 1HG ARG 3 11.066 -11.714 -2.575 26 1HD ARG 3 2HD ARG 3 12.331 -14.382 -2.911 27 2HD ARG 3 1HD ARG 3 10.573 -14.289 -2.865 28 HE ARG 3 HE ARG 3 12.125 -12.649 -4.752 29 1HH1 ARG 3 1HH1 ARG 3 9.656 -15.056 -4.141 30 2HH1 ARG 3 2HH1 ARG 3 9.080 -15.045 -5.771 31 1HH2 ARG 3 1HH2 ARG 3 11.360 -12.657 -6.893 32 2HH2 ARG 3 2HH2 ARG 3 10.043 -13.693 -7.328 33 H GLY 4 H GLY 4 10.881 -11.323 -0.073 34 1HA GLY 4 2HA GLY 4 9.881 -9.584 1.200 35 2HA GLY 4 1HA GLY 4 11.441 -8.775 1.261 36 H ILE 5 H ILE 5 8.449 -9.046 -0.368 37 HA ILE 5 HA ILE 5 9.421 -7.226 -2.478 38 HB ILE 5 HB ILE 5 6.858 -8.765 -2.652 39 1HG1 ILE 5 2HG1 ILE 5 8.500 -10.478 -2.330 40 2HG1 ILE 5 1HG1 ILE 5 8.141 -10.417 -4.053 41 1HG2 ILE 5 1HG2 ILE 5 6.750 -8.038 -4.785 42 2HG2 ILE 5 2HG2 ILE 5 8.494 -8.132 -5.018 43 3HG2 ILE 5 3HG2 ILE 5 7.791 -6.755 -4.170 44 1HD1 ILE 5 1HD1 ILE 5 10.244 -8.684 -3.825 45 2HD1 ILE 5 2HD1 ILE 5 10.348 -10.373 -4.324 46 3HD1 ILE 5 3HD1 ILE 5 10.636 -9.929 -2.638 47 H VAL 6 H VAL 6 8.916 -5.192 -2.107 48 HA VAL 6 HA VAL 6 6.323 -4.604 -0.841 49 HB VAL 6 HB VAL 6 8.087 -3.794 0.583 50 1HG1 VAL 6 1HG1 VAL 6 9.161 -2.354 -1.841 51 2HG1 VAL 6 2HG1 VAL 6 9.878 -3.771 -1.082 52 3HG1 VAL 6 3HG1 VAL 6 9.803 -2.249 -0.208 53 1HG2 VAL 6 1HG2 VAL 6 6.056 -2.393 0.178 54 2HG2 VAL 6 2HG2 VAL 6 7.005 -1.446 -0.967 55 3HG2 VAL 6 3HG2 VAL 6 7.462 -1.489 0.733 56 H TRP 7 H TRP 7 4.872 -3.769 -2.176 57 HA TRP 7 HA TRP 7 5.844 -2.330 -4.549 58 1HB TRP 7 2HB TRP 7 3.443 -4.089 -4.125 59 2HB TRP 7 1HB TRP 7 3.512 -2.940 -5.461 60 HD1 TRP 7 HD1 TRP 7 6.914 -4.169 -4.908 61 HE1 TRP 7 1HE TRP 7 7.529 -6.000 -6.596 62 HE3 TRP 7 3HE TRP 7 2.237 -5.222 -6.685 63 HZ2 TRP 7 2HZ TRP 7 6.204 -7.689 -8.433 64 HZ3 TRP 7 3HZ TRP 7 2.000 -6.963 -8.408 65 HH2 TRP 7 HH2 TRP 7 3.942 -8.172 -9.261 66 H VAL 8 H VAL 8 4.947 -0.383 -5.110 67 HA VAL 8 HA VAL 8 3.071 0.779 -3.163 68 HB VAL 8 HB VAL 8 5.001 2.643 -4.396 69 1HG1 VAL 8 1HG1 VAL 8 3.282 2.446 -2.079 70 2HG1 VAL 8 2HG1 VAL 8 3.945 3.871 -2.872 71 3HG1 VAL 8 3HG1 VAL 8 4.893 3.019 -1.654 72 1HG2 VAL 8 1HG2 VAL 8 6.812 1.431 -3.854 73 2HG2 VAL 8 2HG2 VAL 8 5.900 0.348 -2.805 74 3HG2 VAL 8 3HG2 VAL 8 6.442 1.911 -2.199 75 H VAL 9 H VAL 9 1.459 1.990 -3.957 76 HA VAL 9 HA VAL 9 1.430 2.441 -6.868 77 HB VAL 9 HB VAL 9 -1.114 2.483 -6.538 78 1HG1 VAL 9 1HG1 VAL 9 -0.596 -0.277 -6.066 79 2HG1 VAL 9 2HG1 VAL 9 0.724 0.386 -7.027 80 3HG1 VAL 9 3HG1 VAL 9 -0.939 0.530 -7.596 81 1HG2 VAL 9 1HG2 VAL 9 -0.777 0.635 -4.269 82 2HG2 VAL 9 2HG2 VAL 9 -2.060 1.795 -4.612 83 3HG2 VAL 9 3HG2 VAL 9 -0.537 2.344 -3.922 84 H ASP 10 H ASP 10 1.852 4.511 -7.236 85 HA ASP 10 HA ASP 10 0.223 6.571 -6.083 86 1HB ASP 10 2HB ASP 10 2.195 7.796 -5.088 87 2HB ASP 10 1HB ASP 10 1.734 6.327 -4.235 88 H ASP 11 H ASP 11 2.022 8.717 -6.556 89 HA ASP 11 HA ASP 11 1.655 9.085 -9.322 90 1HB ASP 11 2HB ASP 11 3.010 10.600 -7.133 91 2HB ASP 11 1HB ASP 11 3.306 11.078 -8.801 92 H ASP 12 H ASP 12 3.927 7.195 -7.815 93 HA ASP 12 HA ASP 12 5.800 6.133 -8.544 94 1HB ASP 12 2HB ASP 12 4.322 6.544 -10.811 95 2HB ASP 12 1HB ASP 12 5.839 7.330 -11.237 96 H SER 13 H SER 13 7.652 7.179 -10.588 97 HA SER 13 HA SER 13 9.686 8.198 -10.389 98 1HB SER 13 2HB SER 13 9.451 10.492 -11.028 99 2HB SER 13 1HB SER 13 8.135 9.558 -11.746 100 HG SER 13 HG SER 13 6.740 10.641 -10.599 101 H SER 14 H SER 14 8.295 10.883 -8.702 102 HA SER 14 HA SER 14 10.326 11.132 -6.858 103 1HB SER 14 2HB SER 14 8.533 12.836 -7.430 104 2HB SER 14 1HB SER 14 7.488 11.986 -6.293 105 HG SER 14 HG SER 14 8.513 13.632 -5.195 106 H ILE 15 H ILE 15 7.058 9.871 -6.106 107 HA ILE 15 HA ILE 15 7.724 9.016 -3.524 108 HB ILE 15 HB ILE 15 5.631 7.664 -5.202 109 1HG1 ILE 15 2HG1 ILE 15 5.427 10.152 -5.407 110 2HG1 ILE 15 1HG1 ILE 15 4.047 9.389 -4.629 111 1HG2 ILE 15 1HG2 ILE 15 5.049 6.676 -3.303 112 2HG2 ILE 15 2HG2 ILE 15 4.865 8.237 -2.507 113 3HG2 ILE 15 3HG2 ILE 15 6.433 7.430 -2.515 114 1HD1 ILE 15 1HD1 ILE 15 6.131 10.295 -2.785 115 2HD1 ILE 15 2HD1 ILE 15 4.378 10.477 -2.709 116 3HD1 ILE 15 3HD1 ILE 15 5.337 11.576 -3.701 117 H ARG 16 H ARG 16 8.314 7.587 -6.617 118 HA ARG 16 HA ARG 16 8.715 4.919 -5.680 119 1HB ARG 16 2HB ARG 16 8.247 5.281 -8.034 120 2HB ARG 16 1HB ARG 16 9.682 6.284 -8.202 121 1HG ARG 16 2HG ARG 16 10.661 3.900 -7.199 122 2HG ARG 16 1HG ARG 16 9.404 3.397 -8.324 123 1HD ARG 16 2HD ARG 16 11.662 5.291 -8.964 124 2HD ARG 16 1HD ARG 16 11.625 3.582 -9.381 125 HE ARG 16 HE ARG 16 9.864 5.653 -10.506 126 1HH1 ARG 16 1HH1 ARG 16 11.275 2.454 -10.671 127 2HH1 ARG 16 2HH1 ARG 16 10.748 2.178 -12.296 128 1HH2 ARG 16 1HH2 ARG 16 9.186 5.281 -12.642 129 2HH2 ARG 16 2HH2 ARG 16 9.567 3.776 -13.412 130 H TRP 17 H TRP 17 10.964 7.531 -6.576 131 HA TRP 17 HA TRP 17 13.312 6.179 -5.924 132 1HB TRP 17 2HB TRP 17 13.166 8.338 -7.202 133 2HB TRP 17 1HB TRP 17 12.910 9.156 -5.661 134 HD1 TRP 17 HD1 TRP 17 15.585 7.002 -7.437 135 HE1 TRP 17 1HE TRP 17 17.887 7.616 -6.465 136 HE3 TRP 17 3HE TRP 17 14.090 10.258 -3.783 137 HZ2 TRP 17 2HZ TRP 17 18.933 9.257 -4.424 138 HZ3 TRP 17 3HZ TRP 17 15.808 11.302 -2.362 139 HH2 TRP 17 HH2 TRP 17 18.179 10.810 -2.679 140 H VAL 18 H VAL 18 11.166 8.109 -3.895 141 HA VAL 18 HA VAL 18 12.853 8.227 -1.656 142 HB VAL 18 HB VAL 18 9.850 8.251 -1.565 143 1HG1 VAL 18 1HG1 VAL 18 11.101 10.098 0.197 144 2HG1 VAL 18 2HG1 VAL 18 11.848 8.515 0.416 145 3HG1 VAL 18 3HG1 VAL 18 10.104 8.699 0.576 146 1HG2 VAL 18 1HG2 VAL 18 10.030 9.972 -3.000 147 2HG2 VAL 18 2HG2 VAL 18 11.744 10.217 -2.666 148 3HG2 VAL 18 3HG2 VAL 18 10.525 10.860 -1.563 149 H LEU 19 H LEU 19 10.100 6.107 -2.264 150 HA LEU 19 HA LEU 19 10.587 4.560 0.071 151 1HB LEU 19 2HB LEU 19 8.477 4.870 -1.764 152 2HB LEU 19 1HB LEU 19 8.918 3.175 -1.799 153 HG LEU 19 HG LEU 19 7.119 3.581 -0.209 154 1HD1 LEU 19 1HD1 LEU 19 7.940 1.911 0.985 155 2HD1 LEU 19 2HD1 LEU 19 9.024 3.013 1.835 156 3HD1 LEU 19 3HD1 LEU 19 9.544 2.247 0.334 157 1HD2 LEU 19 1HD2 LEU 19 9.059 5.274 1.350 158 2HD2 LEU 19 2HD2 LEU 19 7.361 4.963 1.717 159 3HD2 LEU 19 3HD2 LEU 19 7.799 5.932 0.309 160 H GLU 20 H GLU 20 11.609 4.283 -3.239 161 HA GLU 20 HA GLU 20 12.160 1.519 -3.157 162 1HB GLU 20 2HB GLU 20 13.285 1.746 -5.213 163 2HB GLU 20 1HB GLU 20 11.942 2.869 -5.254 164 1HG GLU 20 2HG GLU 20 13.526 4.690 -4.701 165 2HG GLU 20 1HG GLU 20 14.841 3.523 -4.817 166 H ARG 21 H ARG 21 14.450 4.214 -3.045 167 HA ARG 21 HA ARG 21 16.693 2.695 -2.427 168 1HB ARG 21 2HB ARG 21 16.052 5.573 -1.785 169 2HB ARG 21 1HB ARG 21 17.639 4.851 -1.551 170 1HG ARG 21 2HG ARG 21 16.708 4.322 -4.212 171 2HG ARG 21 1HG ARG 21 16.621 6.050 -3.869 172 1HD ARG 21 2HD ARG 21 19.033 4.262 -3.606 173 2HD ARG 21 1HD ARG 21 18.784 5.540 -4.796 174 HE ARG 21 HE ARG 21 18.572 6.779 -2.363 175 1HH1 ARG 21 1HH1 ARG 21 21.014 4.874 -3.973 176 2HH1 ARG 21 2HH1 ARG 21 22.332 5.672 -3.183 177 1HH2 ARG 21 1HH2 ARG 21 20.300 7.828 -1.326 178 2HH2 ARG 21 2HH2 ARG 21 21.927 7.349 -1.679 179 H ALA 22 H ALA 22 14.683 4.576 -0.142 180 HA ALA 22 HA ALA 22 15.992 3.832 2.169 181 1HB ALA 22 1HB ALA 22 13.871 5.411 1.637 182 2HB ALA 22 2HB ALA 22 14.363 4.935 3.263 183 3HB ALA 22 3HB ALA 22 13.078 4.053 2.438 184 H LEU 23 H LEU 23 13.219 2.216 0.701 185 HA LEU 23 HA LEU 23 13.186 0.145 2.645 186 1HB LEU 23 2HB LEU 23 11.715 0.761 0.208 187 2HB LEU 23 1HB LEU 23 11.986 -0.954 0.423 188 HG LEU 23 HG LEU 23 10.595 0.890 2.362 189 1HD1 LEU 23 1HD1 LEU 23 8.649 0.167 1.518 190 2HD1 LEU 23 2HD1 LEU 23 9.240 -1.482 1.311 191 3HD1 LEU 23 3HD1 LEU 23 9.603 -0.257 0.092 192 1HD2 LEU 23 1HD2 LEU 23 12.067 -1.304 3.049 193 2HD2 LEU 23 2HD2 LEU 23 10.472 -2.007 2.796 194 3HD2 LEU 23 3HD2 LEU 23 10.683 -0.692 3.953 195 H ALA 24 H ALA 24 14.881 0.668 -0.331 196 HA ALA 24 HA ALA 24 15.674 -1.986 -0.841 197 1HB ALA 24 1HB ALA 24 15.970 -0.155 -2.472 198 2HB ALA 24 2HB ALA 24 17.475 -1.023 -2.173 199 3HB ALA 24 3HB ALA 24 17.205 0.556 -1.433 200 H GLY 25 H GLY 25 16.839 0.536 1.320 201 1HA GLY 25 2HA GLY 25 19.252 -0.712 2.106 202 2HA GLY 25 1HA GLY 25 18.336 0.446 3.066 203 H ALA 26 H ALA 26 15.913 -1.246 2.922 204 HA ALA 26 HA ALA 26 16.447 -2.857 5.226 205 1HB ALA 26 1HB ALA 26 14.036 -2.012 3.729 206 2HB ALA 26 2HB ALA 26 14.366 -1.969 5.460 207 3HB ALA 26 3HB ALA 26 13.923 -3.490 4.684 208 H GLY 27 H GLY 27 16.492 -3.356 1.850 209 1HA GLY 27 2HA GLY 27 17.348 -5.312 0.865 210 2HA GLY 27 1HA GLY 27 16.912 -6.205 2.308 211 H LEU 28 H LEU 28 14.531 -4.148 0.674 212 HA LEU 28 HA LEU 28 13.253 -6.625 -0.238 213 1HB LEU 28 2HB LEU 28 11.529 -4.275 0.216 214 2HB LEU 28 1HB LEU 28 11.201 -5.975 0.476 215 HG LEU 28 HG LEU 28 12.942 -5.609 2.462 216 1HD1 LEU 28 1HD1 LEU 28 13.534 -3.442 2.450 217 2HD1 LEU 28 2HD1 LEU 28 12.048 -3.284 3.386 218 3HD1 LEU 28 3HD1 LEU 28 12.048 -2.922 1.658 219 1HD2 LEU 28 1HD2 LEU 28 11.156 -5.937 3.789 220 2HD2 LEU 28 2HD2 LEU 28 10.287 -6.093 2.261 221 3HD2 LEU 28 3HD2 LEU 28 10.283 -4.554 3.126 222 H THR 29 H THR 29 11.597 -6.279 -1.987 223 HA THR 29 HA THR 29 12.836 -4.740 -4.123 224 HB THR 29 HB THR 29 10.507 -6.675 -4.148 225 HG1 THR 29 1HG THR 29 13.248 -6.920 -4.769 226 1HG2 THR 29 1HG2 THR 29 10.196 -6.385 -6.340 227 2HG2 THR 29 2HG2 THR 29 11.912 -6.135 -6.658 228 3HG2 THR 29 3HG2 THR 29 10.922 -4.804 -6.059 229 H CYS 30 H CYS 30 12.240 -2.726 -4.484 230 HA CYS 30 HA CYS 30 9.554 -1.853 -3.653 231 1HB CYS 30 2HB CYS 30 11.796 0.016 -4.313 232 2HB CYS 30 1HB CYS 30 10.421 0.263 -3.242 233 HG CYS 30 HG CYS 30 11.638 -1.349 -1.522 234 H THR 31 H THR 31 8.165 -1.831 -5.346 235 HA THR 31 HA THR 31 9.066 -0.517 -7.815 236 HB THR 31 HB THR 31 8.838 -3.101 -7.991 237 HG1 THR 31 1HG THR 31 7.562 -2.706 -10.059 238 1HG2 THR 31 1HG2 THR 31 6.348 -2.716 -6.954 239 2HG2 THR 31 2HG2 THR 31 6.873 -4.119 -7.883 240 3HG2 THR 31 3HG2 THR 31 6.030 -2.800 -8.686 241 H THR 32 H THR 32 7.647 1.007 -8.598 242 HA THR 32 HA THR 32 5.163 1.302 -7.070 243 HB THR 32 HB THR 32 5.256 3.667 -7.428 244 HG1 THR 32 1HG THR 32 7.668 3.325 -8.855 245 1HG2 THR 32 1HG2 THR 32 6.914 4.211 -5.987 246 2HG2 THR 32 2HG2 THR 32 8.107 3.188 -6.789 247 3HG2 THR 32 3HG2 THR 32 6.887 2.464 -5.740 248 H PHE 33 H PHE 33 3.394 2.441 -8.192 249 HA PHE 33 HA PHE 33 3.266 1.814 -11.055 250 1HB PHE 33 2HB PHE 33 1.160 1.096 -9.010 251 2HB PHE 33 1HB PHE 33 1.072 0.808 -10.738 252 HD1 PHE 33 1HD PHE 33 1.574 -1.325 -11.470 253 HD2 PHE 33 2HD PHE 33 3.370 0.089 -7.891 254 HE1 PHE 33 1HE PHE 33 2.645 -3.504 -11.157 255 HE2 PHE 33 2HE PHE 33 4.462 -2.087 -7.571 256 HZ PHE 33 HZ PHE 33 4.079 -3.906 -9.211 257 H GLU 34 H GLU 34 1.128 2.736 -12.002 258 HA GLU 34 HA GLU 34 1.117 5.532 -11.589 259 1HB GLU 34 2HB GLU 34 -0.545 5.644 -13.251 260 2HB GLU 34 1HB GLU 34 0.389 4.223 -13.685 261 1HG GLU 34 2HG GLU 34 -1.818 3.518 -11.950 262 2HG GLU 34 1HG GLU 34 -2.373 4.401 -13.368 263 H ASN 35 H ASN 35 -0.768 2.913 -10.329 264 HA ASN 35 HA ASN 35 -1.628 4.215 -8.031 265 1HB ASN 35 2HB ASN 35 -3.061 5.249 -10.060 266 2HB ASN 35 1HB ASN 35 -4.044 3.827 -9.725 267 1HD2 ASN 35 1HD2 ASN 35 -5.182 6.217 -9.387 268 2HD2 ASN 35 2HD2 ASN 35 -5.376 6.583 -7.710 269 H GLY 36 H GLY 36 -3.429 2.861 -6.944 270 1HA GLY 36 2HA GLY 36 -2.652 0.287 -6.594 271 2HA GLY 36 1HA GLY 36 -4.302 0.812 -6.360 272 H ASN 37 H ASN 37 -4.651 1.446 -9.221 273 HA ASN 37 HA ASN 37 -5.761 -0.966 -10.058 274 1HB ASN 37 2HB ASN 37 -5.487 1.703 -11.099 275 2HB ASN 37 1HB ASN 37 -5.271 0.516 -12.381 276 1HD2 ASN 37 1HD2 ASN 37 -7.294 0.321 -9.493 277 2HD2 ASN 37 2HD2 ASN 37 -8.794 0.183 -10.336 278 H GLU 38 H GLU 38 -2.758 0.612 -11.181 279 HA GLU 38 HA GLU 38 -1.988 -1.270 -13.048 280 1HB GLU 38 2HB GLU 38 -0.837 0.962 -11.879 281 2HB GLU 38 1HB GLU 38 0.258 -0.338 -11.460 282 1HG GLU 38 2HG GLU 38 -0.649 -0.046 -14.280 283 2HG GLU 38 1HG GLU 38 0.604 1.017 -13.646 284 H VAL 39 H VAL 39 -1.216 -1.304 -9.536 285 HA VAL 39 HA VAL 39 0.277 -3.682 -9.606 286 HB VAL 39 HB VAL 39 -1.315 -2.481 -7.339 287 1HG1 VAL 39 1HG1 VAL 39 0.598 -4.809 -7.350 288 2HG1 VAL 39 2HG1 VAL 39 -1.092 -4.814 -6.855 289 3HG1 VAL 39 3HG1 VAL 39 0.107 -3.952 -5.891 290 1HG2 VAL 39 1HG2 VAL 39 0.828 -1.698 -6.557 291 2HG2 VAL 39 2HG2 VAL 39 0.584 -1.167 -8.221 292 3HG2 VAL 39 3HG2 VAL 39 1.644 -2.531 -7.878 293 H LEU 40 H LEU 40 -3.172 -3.144 -9.649 294 HA LEU 40 HA LEU 40 -4.061 -5.639 -8.750 295 1HB LEU 40 2HB LEU 40 -5.323 -4.057 -10.989 296 2HB LEU 40 1HB LEU 40 -6.109 -5.227 -9.949 297 HG LEU 40 HG LEU 40 -5.126 -2.489 -9.177 298 1HD1 LEU 40 1HD1 LEU 40 -7.613 -2.374 -8.496 299 2HD1 LEU 40 2HD1 LEU 40 -7.806 -3.736 -9.600 300 3HD1 LEU 40 3HD1 LEU 40 -7.182 -2.199 -10.198 301 1HD2 LEU 40 1HD2 LEU 40 -5.862 -4.836 -7.524 302 2HD2 LEU 40 2HD2 LEU 40 -6.445 -3.253 -7.010 303 3HD2 LEU 40 3HD2 LEU 40 -4.714 -3.537 -7.199 304 H ALA 41 H ALA 41 -3.166 -4.537 -11.986 305 HA ALA 41 HA ALA 41 -3.587 -7.056 -13.237 306 1HB ALA 41 1HB ALA 41 -2.671 -6.081 -15.193 307 2HB ALA 41 2HB ALA 41 -1.835 -4.841 -14.255 308 3HB ALA 41 3HB ALA 41 -3.595 -4.815 -14.383 309 H ALA 42 H ALA 42 -0.702 -5.330 -12.189 310 HA ALA 42 HA ALA 42 1.198 -7.231 -12.968 311 1HB ALA 42 1HB ALA 42 2.755 -5.984 -11.824 312 2HB ALA 42 2HB ALA 42 1.664 -5.637 -10.484 313 3HB ALA 42 3HB ALA 42 1.471 -4.793 -12.021 314 H LEU 43 H LEU 43 -0.873 -7.056 -10.168 315 HA LEU 43 HA LEU 43 0.467 -9.011 -8.620 316 1HB LEU 43 2HB LEU 43 -2.214 -7.718 -8.544 317 2HB LEU 43 1HB LEU 43 -1.949 -9.167 -7.589 318 HG LEU 43 HG LEU 43 -0.288 -6.667 -7.363 319 1HD1 LEU 43 1HD1 LEU 43 -1.489 -6.382 -5.217 320 2HD1 LEU 43 2HD1 LEU 43 -2.557 -7.708 -5.671 321 3HD1 LEU 43 3HD1 LEU 43 -2.548 -6.220 -6.619 322 1HD2 LEU 43 1HD2 LEU 43 -0.225 -9.376 -6.209 323 2HD2 LEU 43 2HD2 LEU 43 0.049 -8.039 -5.090 324 3HD2 LEU 43 3HD2 LEU 43 1.092 -8.238 -6.501 325 H ALA 44 H ALA 44 -1.771 -9.168 -11.230 326 HA ALA 44 HA ALA 44 -2.976 -11.631 -10.825 327 1HB ALA 44 1HB ALA 44 -2.172 -10.333 -13.422 328 2HB ALA 44 2HB ALA 44 -3.701 -10.128 -12.567 329 3HB ALA 44 3HB ALA 44 -3.286 -11.691 -13.270 330 H SER 45 H SER 45 0.310 -10.958 -11.560 331 HA SER 45 HA SER 45 0.774 -13.800 -12.038 332 1HB SER 45 2HB SER 45 1.418 -11.619 -13.736 333 2HB SER 45 1HB SER 45 2.931 -12.284 -13.125 334 HG SER 45 HG SER 45 2.534 -13.563 -14.805 335 H LYS 46 H LYS 46 1.153 -11.481 -9.791 336 HA LYS 46 HA LYS 46 3.166 -12.941 -8.402 337 1HB LYS 46 2HB LYS 46 4.153 -10.992 -10.097 338 2HB LYS 46 1HB LYS 46 4.081 -10.174 -8.543 339 1HG LYS 46 2HG LYS 46 5.197 -12.695 -8.035 340 2HG LYS 46 1HG LYS 46 5.980 -12.092 -9.497 341 1HD LYS 46 2HD LYS 46 5.960 -9.870 -7.903 342 2HD LYS 46 1HD LYS 46 6.189 -11.164 -6.726 343 1HE LYS 46 2HE LYS 46 8.279 -11.578 -7.421 344 2HE LYS 46 1HE LYS 46 7.835 -11.455 -9.122 345 1HZ LYS 46 1HZ LYS 46 9.371 -9.724 -8.598 346 2HZ LYS 46 2HZ LYS 46 8.449 -9.213 -7.276 347 3HZ LYS 46 3HZ LYS 46 7.858 -9.010 -8.849 348 H THR 47 H THR 47 3.442 -12.201 -6.210 349 HA THR 47 HA THR 47 1.547 -10.182 -5.338 350 HB THR 47 HB THR 47 1.705 -12.963 -4.177 351 HG1 THR 47 1HG THR 47 0.174 -13.343 -5.536 352 1HG2 THR 47 1HG2 THR 47 -0.280 -10.868 -3.390 353 2HG2 THR 47 2HG2 THR 47 1.254 -11.059 -2.537 354 3HG2 THR 47 3HG2 THR 47 0.100 -12.392 -2.592 355 HA PRO 48 HA PRO 48 5.275 -9.353 -2.956 356 1HB PRO 48 2HB PRO 48 4.699 -6.831 -2.267 357 2HB PRO 48 1HB PRO 48 5.202 -7.233 -3.914 358 1HG PRO 48 2HG PRO 48 2.457 -6.748 -2.830 359 2HG PRO 48 1HG PRO 48 3.175 -6.184 -4.351 360 1HD PRO 48 2HD PRO 48 1.512 -8.354 -4.159 361 2HD PRO 48 1HD PRO 48 2.728 -8.157 -5.434 362 H ASP 49 H ASP 49 5.657 -8.744 -0.679 363 HA ASP 49 HA ASP 49 3.706 -9.972 0.999 364 1HB ASP 49 2HB ASP 49 5.295 -9.579 2.799 365 2HB ASP 49 1HB ASP 49 6.135 -10.198 1.381 366 H VAL 50 H VAL 50 5.126 -6.692 1.029 367 HA VAL 50 HA VAL 50 2.738 -5.736 2.440 368 HB VAL 50 HB VAL 50 4.886 -5.270 3.514 369 1HG1 VAL 50 1HG1 VAL 50 6.311 -3.459 2.349 370 2HG1 VAL 50 2HG1 VAL 50 5.513 -4.018 0.877 371 3HG1 VAL 50 3HG1 VAL 50 6.472 -5.141 1.840 372 1HG2 VAL 50 1HG2 VAL 50 4.368 -3.138 4.174 373 2HG2 VAL 50 2HG2 VAL 50 2.851 -3.625 3.426 374 3HG2 VAL 50 3HG2 VAL 50 3.980 -2.603 2.538 375 H LEU 51 H LEU 51 1.966 -3.497 1.798 376 HA LEU 51 HA LEU 51 2.497 -2.701 -0.931 377 1HB LEU 51 2HB LEU 51 0.715 -4.566 -0.900 378 2HB LEU 51 1HB LEU 51 -0.343 -3.361 -0.197 379 HG LEU 51 HG LEU 51 -0.132 -1.973 -2.204 380 1HD1 LEU 51 1HD1 LEU 51 2.222 -2.995 -2.693 381 2HD1 LEU 51 2HD1 LEU 51 1.193 -2.457 -4.018 382 3HD1 LEU 51 3HD1 LEU 51 1.297 -4.172 -3.622 383 1HD2 LEU 51 1HD2 LEU 51 -1.361 -4.549 -2.056 384 2HD2 LEU 51 2HD2 LEU 51 -0.838 -4.250 -3.714 385 3HD2 LEU 51 3HD2 LEU 51 -1.909 -3.104 -2.907 386 H LEU 52 H LEU 52 1.969 -0.562 -1.353 387 HA LEU 52 HA LEU 52 0.659 0.925 0.828 388 1HB LEU 52 2HB LEU 52 3.375 1.147 -0.060 389 2HB LEU 52 1HB LEU 52 2.531 2.635 -0.444 390 HG LEU 52 HG LEU 52 2.144 1.596 2.293 391 1HD1 LEU 52 1HD1 LEU 52 4.744 2.838 1.414 392 2HD1 LEU 52 2HD1 LEU 52 4.524 1.173 1.958 393 3HD1 LEU 52 3HD1 LEU 52 4.260 2.509 3.078 394 1HD2 LEU 52 1HD2 LEU 52 2.281 3.977 2.826 395 2HD2 LEU 52 2HD2 LEU 52 1.114 3.677 1.540 396 3HD2 LEU 52 3HD2 LEU 52 2.703 4.329 1.150 397 H SER 53 H SER 53 -0.687 2.600 0.216 398 HA SER 53 HA SER 53 -0.958 3.087 -2.666 399 1HB SER 53 2HB SER 53 -3.016 2.211 -0.717 400 2HB SER 53 1HB SER 53 -3.514 3.329 -1.984 401 HG SER 53 HG SER 53 -3.640 0.973 -2.424 402 H ASP 54 H ASP 54 -1.271 5.134 -3.305 403 HA ASP 54 HA ASP 54 -0.781 7.205 -1.399 404 1HB ASP 54 2HB ASP 54 -0.744 8.699 -3.325 405 2HB ASP 54 1HB ASP 54 0.209 7.254 -3.641 406 H ILE 55 H ILE 55 -3.632 5.839 -2.713 407 HA ILE 55 HA ILE 55 -5.831 6.483 -2.747 408 HB ILE 55 HB ILE 55 -5.631 5.975 -0.419 409 1HG1 ILE 55 2HG1 ILE 55 -7.000 8.465 0.144 410 2HG1 ILE 55 1HG1 ILE 55 -7.503 7.798 -1.403 411 1HG2 ILE 55 1HG2 ILE 55 -5.060 7.733 1.246 412 2HG2 ILE 55 2HG2 ILE 55 -4.525 8.748 -0.085 413 3HG2 ILE 55 3HG2 ILE 55 -3.717 7.213 0.235 414 1HD1 ILE 55 1HD1 ILE 55 -7.481 5.624 0.330 415 2HD1 ILE 55 2HD1 ILE 55 -8.895 6.493 -0.266 416 3HD1 ILE 55 3HD1 ILE 55 -8.163 6.952 1.269 417 H ARG 56 H ARG 56 -5.917 7.911 -4.494 418 HA ARG 56 HA ARG 56 -6.081 10.750 -3.742 419 1HB ARG 56 2HB ARG 56 -3.988 9.785 -5.171 420 2HB ARG 56 1HB ARG 56 -5.097 10.212 -6.467 421 1HG ARG 56 2HG ARG 56 -3.841 12.132 -6.191 422 2HG ARG 56 1HG ARG 56 -5.297 12.475 -5.256 423 1HD ARG 56 2HD ARG 56 -4.198 12.444 -3.282 424 2HD ARG 56 1HD ARG 56 -3.110 11.153 -3.789 425 HE ARG 56 HE ARG 56 -2.588 13.941 -3.864 426 1HH1 ARG 56 1HH1 ARG 56 -1.994 10.975 -5.609 427 2HH1 ARG 56 2HH1 ARG 56 -0.518 11.540 -6.315 428 1HH2 ARG 56 1HH2 ARG 56 -0.649 14.685 -4.793 429 2HH2 ARG 56 2HH2 ARG 56 0.248 13.648 -5.852 430 H MET 57 H MET 57 -8.348 9.308 -3.847 431 HA MET 57 HA MET 57 -10.422 9.204 -4.751 432 1HB MET 57 2HB MET 57 -9.978 11.692 -4.733 433 2HB MET 57 1HB MET 57 -9.614 11.552 -6.449 434 1HG MET 57 2HG MET 57 -11.982 10.333 -6.428 435 2HG MET 57 1HG MET 57 -12.202 11.388 -5.035 436 1HE MET 57 1HE MET 57 -14.252 12.509 -6.243 437 2HE MET 57 2HE MET 57 -13.872 14.109 -6.882 438 3HE MET 57 3HE MET 57 -13.267 13.625 -5.296 439 HA PRO 58 HA PRO 58 -8.791 7.350 -8.806 440 1HB PRO 58 2HB PRO 58 -8.868 4.736 -8.044 441 2HB PRO 58 1HB PRO 58 -7.430 5.750 -7.882 442 1HG PRO 58 2HG PRO 58 -9.446 4.975 -5.813 443 2HG PRO 58 1HG PRO 58 -7.684 5.110 -5.671 444 1HD PRO 58 2HD PRO 58 -9.409 7.014 -4.785 445 2HD PRO 58 1HD PRO 58 -7.766 7.376 -5.335 446 H GLY 59 H GLY 59 -10.746 5.001 -7.009 447 1HA GLY 59 2HA GLY 59 -12.930 5.450 -8.940 448 2HA GLY 59 1HA GLY 59 -12.561 3.897 -8.202 449 H MET 60 H MET 60 -12.062 5.433 -5.615 450 HA MET 60 HA MET 60 -14.625 6.468 -4.857 451 1HB MET 60 2HB MET 60 -14.867 3.916 -4.818 452 2HB MET 60 1HB MET 60 -13.765 3.948 -3.449 453 1HG MET 60 2HG MET 60 -15.609 4.105 -2.218 454 2HG MET 60 1HG MET 60 -15.598 5.802 -2.700 455 1HE MET 60 1HE MET 60 -17.579 3.323 -1.855 456 2HE MET 60 2HE MET 60 -17.730 2.303 -3.287 457 3HE MET 60 3HE MET 60 -19.051 3.374 -2.824 458 H ASP 61 H ASP 61 -12.758 8.033 -4.648 459 HA ASP 61 HA ASP 61 -11.589 9.422 -3.292 460 1HB ASP 61 2HB ASP 61 -13.228 7.867 -1.476 461 2HB ASP 61 1HB ASP 61 -11.730 8.406 -0.723 462 H GLY 62 H GLY 62 -11.005 6.017 -3.163 463 1HA GLY 62 2HA GLY 62 -8.487 5.707 -3.659 464 2HA GLY 62 1HA GLY 62 -8.322 6.420 -2.072 465 H LEU 63 H LEU 63 -10.741 5.155 -1.063 466 HA LEU 63 HA LEU 63 -9.578 2.750 -0.139 467 1HB LEU 63 2HB LEU 63 -12.502 3.446 0.041 468 2HB LEU 63 1HB LEU 63 -11.582 2.389 1.096 469 HG LEU 63 HG LEU 63 -10.225 4.659 1.507 470 1HD1 LEU 63 1HD1 LEU 63 -12.165 5.650 -0.082 471 2HD1 LEU 63 2HD1 LEU 63 -11.327 6.581 1.158 472 3HD1 LEU 63 3HD1 LEU 63 -12.900 5.864 1.505 473 1HD2 LEU 63 1HD2 LEU 63 -12.715 4.559 3.056 474 2HD2 LEU 63 2HD2 LEU 63 -11.036 4.497 3.590 475 3HD2 LEU 63 3HD2 LEU 63 -11.819 3.047 2.968 476 H ALA 64 H ALA 64 -11.656 3.588 -2.796 477 HA ALA 64 HA ALA 64 -12.796 1.121 -3.426 478 1HB ALA 64 1HB ALA 64 -12.051 2.271 -5.873 479 2HB ALA 64 2HB ALA 64 -12.321 3.622 -4.771 480 3HB ALA 64 3HB ALA 64 -13.598 2.433 -5.041 481 H LEU 65 H LEU 65 -9.554 2.288 -3.719 482 HA LEU 65 HA LEU 65 -8.394 0.612 -5.573 483 1HB LEU 65 2HB LEU 65 -7.422 2.522 -4.090 484 2HB LEU 65 1HB LEU 65 -7.054 1.228 -2.964 485 HG LEU 65 HG LEU 65 -6.115 1.165 -5.813 486 1HD1 LEU 65 1HD1 LEU 65 -3.912 1.834 -4.418 487 2HD1 LEU 65 2HD1 LEU 65 -5.131 2.759 -3.545 488 3HD1 LEU 65 3HD1 LEU 65 -4.917 2.994 -5.280 489 1HD2 LEU 65 1HD2 LEU 65 -5.258 -0.234 -3.284 490 2HD2 LEU 65 2HD2 LEU 65 -4.402 -0.337 -4.821 491 3HD2 LEU 65 3HD2 LEU 65 -6.046 -0.957 -4.684 492 H LEU 66 H LEU 66 -8.590 0.125 -2.081 493 HA LEU 66 HA LEU 66 -7.562 -2.445 -1.956 494 1HB LEU 66 2HB LEU 66 -9.682 -1.231 -0.192 495 2HB LEU 66 1HB LEU 66 -8.609 -2.555 0.233 496 HG LEU 66 HG LEU 66 -7.243 -0.084 -0.610 497 1HD1 LEU 66 1HD1 LEU 66 -9.380 0.135 1.240 498 2HD1 LEU 66 2HD1 LEU 66 -8.207 1.358 0.753 499 3HD1 LEU 66 3HD1 LEU 66 -7.864 0.309 2.128 500 1HD2 LEU 66 1HD2 LEU 66 -6.883 -1.760 1.856 501 2HD2 LEU 66 2HD2 LEU 66 -5.720 -0.669 1.107 502 3HD2 LEU 66 3HD2 LEU 66 -6.174 -2.168 0.296 503 H LYS 67 H LYS 67 -10.893 -1.355 -2.471 504 HA LYS 67 HA LYS 67 -12.293 -3.709 -2.283 505 1HB LYS 67 2HB LYS 67 -13.046 -1.291 -2.972 506 2HB LYS 67 1HB LYS 67 -12.837 -1.899 -4.608 507 1HG LYS 67 2HG LYS 67 -14.514 -3.382 -2.620 508 2HG LYS 67 1HG LYS 67 -15.166 -2.018 -3.527 509 1HD LYS 67 2HD LYS 67 -13.743 -3.967 -5.182 510 2HD LYS 67 1HD LYS 67 -15.157 -4.625 -4.365 511 1HE LYS 67 2HE LYS 67 -15.896 -3.819 -6.464 512 2HE LYS 67 1HE LYS 67 -16.457 -2.670 -5.250 513 1HZ LYS 67 1HZ LYS 67 -15.202 -1.046 -6.102 514 2HZ LYS 67 2HZ LYS 67 -15.128 -2.009 -7.490 515 3HZ LYS 67 3HZ LYS 67 -13.867 -2.053 -6.364 516 H GLN 68 H GLN 68 -10.559 -2.531 -5.173 517 HA GLN 68 HA GLN 68 -11.150 -4.816 -6.744 518 1HB GLN 68 2HB GLN 68 -8.781 -2.994 -7.123 519 2HB GLN 68 1HB GLN 68 -9.603 -3.953 -8.344 520 1HG GLN 68 2HG GLN 68 -11.030 -1.775 -6.880 521 2HG GLN 68 1HG GLN 68 -10.002 -1.427 -8.269 522 1HE2 GLN 68 1HE2 GLN 68 -12.647 -3.572 -7.280 523 2HE2 GLN 68 2HE2 GLN 68 -13.472 -3.539 -8.798 524 H ILE 69 H ILE 69 -8.595 -3.987 -4.523 525 HA ILE 69 HA ILE 69 -6.712 -5.913 -5.242 526 HB ILE 69 HB ILE 69 -7.249 -4.635 -2.567 527 1HG1 ILE 69 2HG1 ILE 69 -5.179 -4.056 -4.696 528 2HG1 ILE 69 1HG1 ILE 69 -6.637 -3.111 -4.417 529 1HG2 ILE 69 1HG2 ILE 69 -5.309 -5.515 -1.687 530 2HG2 ILE 69 2HG2 ILE 69 -4.621 -5.863 -3.272 531 3HG2 ILE 69 3HG2 ILE 69 -5.908 -6.879 -2.628 532 1HD1 ILE 69 1HD1 ILE 69 -4.242 -2.491 -3.399 533 2HD1 ILE 69 2HD1 ILE 69 -4.876 -3.490 -2.090 534 3HD1 ILE 69 3HD1 ILE 69 -5.768 -2.065 -2.624 535 H LYS 70 H LYS 70 -9.435 -6.100 -3.042 536 HA LYS 70 HA LYS 70 -8.830 -8.730 -2.141 537 1HB LYS 70 2HB LYS 70 -10.937 -8.661 -0.990 538 2HB LYS 70 1HB LYS 70 -10.155 -7.097 -0.818 539 1HG LYS 70 2HG LYS 70 -11.979 -6.119 -1.594 540 2HG LYS 70 1HG LYS 70 -11.755 -6.959 -3.129 541 1HD LYS 70 2HD LYS 70 -13.315 -8.538 -2.655 542 2HD LYS 70 1HD LYS 70 -12.972 -8.512 -0.924 543 1HE LYS 70 2HE LYS 70 -14.984 -7.478 -0.852 544 2HE LYS 70 1HE LYS 70 -13.999 -6.057 -1.196 545 1HZ LYS 70 1HZ LYS 70 -16.039 -7.238 -2.769 546 2HZ LYS 70 2HZ LYS 70 -14.593 -7.181 -3.646 547 3HZ LYS 70 3HZ LYS 70 -15.239 -5.764 -2.987 548 H GLN 71 H GLN 71 -10.635 -7.411 -4.781 549 HA GLN 71 HA GLN 71 -12.166 -9.728 -5.330 550 1HB GLN 71 2HB GLN 71 -13.192 -7.926 -6.256 551 2HB GLN 71 1HB GLN 71 -11.682 -7.112 -6.605 552 1HG GLN 71 2HG GLN 71 -11.800 -9.339 -8.327 553 2HG GLN 71 1HG GLN 71 -13.395 -8.596 -8.345 554 1HE2 GLN 71 1HE2 GLN 71 -10.323 -6.949 -7.830 555 2HE2 GLN 71 2HE2 GLN 71 -10.394 -5.989 -9.265 556 H ARG 72 H ARG 72 -9.132 -8.494 -6.592 557 HA ARG 72 HA ARG 72 -8.862 -10.838 -8.304 558 1HB ARG 72 2HB ARG 72 -7.180 -8.349 -8.060 559 2HB ARG 72 1HB ARG 72 -6.810 -9.681 -9.148 560 1HG ARG 72 2HG ARG 72 -9.527 -8.862 -9.525 561 2HG ARG 72 1HG ARG 72 -8.463 -7.458 -9.625 562 1HD ARG 72 2HD ARG 72 -7.651 -8.100 -11.601 563 2HD ARG 72 1HD ARG 72 -7.382 -9.746 -11.037 564 HE ARG 72 HE ARG 72 -10.007 -8.793 -11.985 565 1HH1 ARG 72 1HH1 ARG 72 -7.484 -11.216 -11.908 566 2HH1 ARG 72 2HH1 ARG 72 -8.362 -12.331 -12.894 567 1HH2 ARG 72 1HH2 ARG 72 -11.150 -10.265 -13.282 568 2HH2 ARG 72 2HH2 ARG 72 -10.437 -11.795 -13.675 569 H HIS 73 H HIS 73 -7.599 -9.559 -5.348 570 HA HIS 73 HA HIS 73 -5.800 -11.886 -5.171 571 1HB HIS 73 2HB HIS 73 -5.108 -9.515 -3.539 572 2HB HIS 73 1HB HIS 73 -4.064 -10.622 -4.429 573 HD1 HIS 73 1HD HIS 73 -4.259 -10.250 -7.188 574 HD2 HIS 73 2HD HIS 73 -5.275 -7.091 -4.701 575 HE1 HIS 73 1HE HIS 73 -4.130 -8.194 -8.630 576 HE2 HIS 73 2HE HIS 73 -4.668 -6.284 -7.079 577 HA PRO 74 HA PRO 74 -7.639 -12.993 -1.357 578 1HB PRO 74 2HB PRO 74 -5.535 -13.506 0.310 579 2HB PRO 74 1HB PRO 74 -6.049 -14.584 -0.991 580 1HG PRO 74 2HG PRO 74 -3.778 -12.662 -0.907 581 2HG PRO 74 1HG PRO 74 -3.881 -14.251 -1.681 582 1HD PRO 74 2HD PRO 74 -4.086 -11.874 -3.024 583 2HD PRO 74 1HD PRO 74 -4.804 -13.394 -3.588 584 H MET 75 H MET 75 -4.841 -11.573 0.275 585 HA MET 75 HA MET 75 -6.422 -9.283 1.125 586 1HB MET 75 2HB MET 75 -5.451 -11.455 2.962 587 2HB MET 75 1HB MET 75 -5.714 -9.817 3.547 588 1HG MET 75 2HG MET 75 -7.978 -9.959 3.355 589 2HG MET 75 1HG MET 75 -7.906 -11.122 2.034 590 1HE MET 75 1HE MET 75 -8.441 -14.411 3.604 591 2HE MET 75 2HE MET 75 -7.389 -13.717 2.370 592 3HE MET 75 3HE MET 75 -9.083 -13.234 2.458 593 H LEU 76 H LEU 76 -4.417 -8.904 -0.512 594 HA LEU 76 HA LEU 76 -1.818 -8.772 0.488 595 1HB LEU 76 2HB LEU 76 -2.854 -8.298 -1.889 596 2HB LEU 76 1HB LEU 76 -2.803 -6.630 -1.337 597 HG LEU 76 HG LEU 76 -0.812 -6.894 -2.516 598 1HD1 LEU 76 1HD1 LEU 76 -0.580 -6.069 -0.102 599 2HD1 LEU 76 2HD1 LEU 76 0.888 -6.565 -0.946 600 3HD1 LEU 76 3HD1 LEU 76 0.136 -7.645 0.225 601 1HD2 LEU 76 1HD2 LEU 76 0.190 -8.852 -2.905 602 2HD2 LEU 76 2HD2 LEU 76 -1.243 -9.556 -2.155 603 3HD2 LEU 76 3HD2 LEU 76 0.215 -9.289 -1.195 604 HA PRO 77 HA PRO 77 -2.549 -5.679 3.719 605 1HB PRO 77 2HB PRO 77 0.409 -5.885 3.893 606 2HB PRO 77 1HB PRO 77 -0.806 -6.020 5.169 607 1HG PRO 77 2HG PRO 77 0.445 -8.184 4.264 608 2HG PRO 77 1HG PRO 77 -1.284 -8.235 4.659 609 1HD PRO 77 2HD PRO 77 0.046 -8.059 1.984 610 2HD PRO 77 1HD PRO 77 -1.375 -9.006 2.473 611 H VAL 78 H VAL 78 -2.932 -3.702 3.009 612 HA VAL 78 HA VAL 78 -0.852 -2.246 1.544 613 HB VAL 78 HB VAL 78 -3.782 -1.569 1.428 614 1HG1 VAL 78 1HG1 VAL 78 -1.970 -1.033 -0.828 615 2HG1 VAL 78 2HG1 VAL 78 -1.640 -0.127 0.648 616 3HG1 VAL 78 3HG1 VAL 78 -3.226 -0.023 -0.113 617 1HG2 VAL 78 1HG2 VAL 78 -3.668 -3.813 0.610 618 2HG2 VAL 78 2HG2 VAL 78 -2.251 -3.441 -0.369 619 3HG2 VAL 78 3HG2 VAL 78 -3.811 -2.733 -0.774 620 H ILE 79 H ILE 79 -0.428 -0.120 2.131 621 HA ILE 79 HA ILE 79 -1.641 0.781 4.665 622 HB ILE 79 HB ILE 79 1.126 1.520 3.715 623 1HG1 ILE 79 2HG1 ILE 79 1.278 -0.222 5.948 624 2HG1 ILE 79 1HG1 ILE 79 0.232 -1.001 4.766 625 1HG2 ILE 79 1HG2 ILE 79 1.139 2.894 5.450 626 2HG2 ILE 79 2HG2 ILE 79 0.783 1.554 6.543 627 3HG2 ILE 79 3HG2 ILE 79 -0.536 2.457 5.792 628 1HD1 ILE 79 1HD1 ILE 79 2.002 -0.722 3.072 629 2HD1 ILE 79 2HD1 ILE 79 2.501 -1.711 4.441 630 3HD1 ILE 79 3HD1 ILE 79 3.046 -0.040 4.316 631 H ILE 80 H ILE 80 -3.002 2.419 4.261 632 HA ILE 80 HA ILE 80 -2.578 4.111 1.924 633 HB ILE 80 HB ILE 80 -4.910 4.251 3.818 634 1HG1 ILE 80 2HG1 ILE 80 -4.698 1.932 3.053 635 2HG1 ILE 80 1HG1 ILE 80 -6.081 2.704 2.295 636 1HG2 ILE 80 1HG2 ILE 80 -6.055 5.062 1.746 637 2HG2 ILE 80 2HG2 ILE 80 -4.481 5.075 0.955 638 3HG2 ILE 80 3HG2 ILE 80 -4.777 6.116 2.343 639 1HD1 ILE 80 1HD1 ILE 80 -3.953 1.374 1.061 640 2HD1 ILE 80 2HD1 ILE 80 -3.808 3.081 0.645 641 3HD1 ILE 80 3HD1 ILE 80 -5.305 2.214 0.303 642 H MET 81 H MET 81 -1.911 6.148 1.970 643 HA MET 81 HA MET 81 -0.942 7.315 4.382 644 1HB MET 81 2HB MET 81 -0.565 9.330 2.826 645 2HB MET 81 1HB MET 81 0.344 7.862 2.517 646 1HG MET 81 2HG MET 81 -1.216 7.284 0.730 647 2HG MET 81 1HG MET 81 -2.137 8.751 1.060 648 1HE MET 81 1HE MET 81 -1.229 11.025 1.017 649 2HE MET 81 2HE MET 81 -1.617 10.913 -0.701 650 3HE MET 81 3HE MET 81 -0.076 11.602 -0.188 651 H THR 82 H THR 82 -3.845 7.674 2.509 652 HA THR 82 HA THR 82 -4.877 9.551 4.519 653 HB THR 82 HB THR 82 -5.500 9.839 1.582 654 HG1 THR 82 1HG THR 82 -3.983 11.547 1.603 655 1HG2 THR 82 1HG2 THR 82 -7.108 10.956 2.919 656 2HG2 THR 82 2HG2 THR 82 -6.018 12.177 2.264 657 3HG2 THR 82 3HG2 THR 82 -5.857 11.661 3.943 658 H ALA 83 H ALA 83 -6.964 9.204 5.154 659 HA ALA 83 HA ALA 83 -8.224 6.779 4.165 660 1HB ALA 83 1HB ALA 83 -8.123 6.902 6.523 661 2HB ALA 83 2HB ALA 83 -9.809 7.168 6.080 662 3HB ALA 83 3HB ALA 83 -8.791 8.535 6.536 663 H HIS 84 H HIS 84 -8.664 10.212 4.010 664 HA HIS 84 HA HIS 84 -10.301 11.537 3.124 665 1HB HIS 84 2HB HIS 84 -9.860 9.297 1.196 666 2HB HIS 84 1HB HIS 84 -11.091 10.499 0.835 667 HD1 HIS 84 1HD HIS 84 -9.155 12.784 2.243 668 HD2 HIS 84 2HD HIS 84 -8.345 10.293 -0.980 669 HE1 HIS 84 1HE HIS 84 -7.335 13.933 0.948 670 HE2 HIS 84 2HE HIS 84 -6.945 12.465 -1.062 671 H SER 85 H SER 85 -12.594 10.818 1.554 672 HA SER 85 HA SER 85 -14.391 10.152 3.703 673 1HB SER 85 2HB SER 85 -14.726 11.899 1.795 674 2HB SER 85 1HB SER 85 -15.265 10.507 0.854 675 HG SER 85 HG SER 85 -16.963 10.245 2.182 676 H ASP 86 H ASP 86 -16.190 8.605 3.358 677 HA ASP 86 HA ASP 86 -17.031 6.537 2.912 678 1HB ASP 86 2HB ASP 86 -15.605 7.193 0.535 679 2HB ASP 86 1HB ASP 86 -15.264 5.507 0.913 680 H LEU 87 H LEU 87 -14.904 7.049 4.798 681 HA LEU 87 HA LEU 87 -12.823 5.305 4.925 682 1HB LEU 87 2HB LEU 87 -14.296 6.896 6.761 683 2HB LEU 87 1HB LEU 87 -14.009 5.338 7.510 684 HG LEU 87 HG LEU 87 -11.879 7.156 6.381 685 1HD1 LEU 87 1HD1 LEU 87 -13.157 7.744 8.574 686 2HD1 LEU 87 2HD1 LEU 87 -11.397 7.842 8.526 687 3HD1 LEU 87 3HD1 LEU 87 -12.184 6.446 9.263 688 1HD2 LEU 87 1HD2 LEU 87 -10.705 5.253 6.258 689 2HD2 LEU 87 2HD2 LEU 87 -11.881 4.355 7.218 690 3HD2 LEU 87 3HD2 LEU 87 -10.655 5.339 8.020 691 H ASP 88 H ASP 88 -16.160 4.448 5.061 692 HA ASP 88 HA ASP 88 -16.222 2.140 6.531 693 1HB ASP 88 2HB ASP 88 -17.627 2.900 3.983 694 2HB ASP 88 1HB ASP 88 -17.900 1.328 4.729 695 H ALA 89 H ALA 89 -15.116 2.495 3.172 696 HA ALA 89 HA ALA 89 -14.587 -0.251 2.759 697 1HB ALA 89 1HB ALA 89 -13.165 0.592 0.843 698 2HB ALA 89 2HB ALA 89 -13.607 2.222 1.356 699 3HB ALA 89 3HB ALA 89 -14.857 1.097 0.830 700 H ALA 90 H ALA 90 -12.900 2.210 4.443 701 HA ALA 90 HA ALA 90 -10.260 1.293 4.194 702 1HB ALA 90 1HB ALA 90 -11.231 3.481 5.254 703 2HB ALA 90 2HB ALA 90 -9.706 2.809 5.828 704 3HB ALA 90 3HB ALA 90 -11.189 2.535 6.741 705 H VAL 91 H VAL 91 -12.707 0.619 6.708 706 HA VAL 91 HA VAL 91 -11.056 -1.212 8.101 707 HB VAL 91 HB VAL 91 -14.060 -1.273 8.190 708 1HG1 VAL 91 1HG1 VAL 91 -11.822 -2.381 9.747 709 2HG1 VAL 91 2HG1 VAL 91 -13.478 -2.966 9.559 710 3HG1 VAL 91 3HG1 VAL 91 -13.125 -1.673 10.707 711 1HG2 VAL 91 1HG2 VAL 91 -14.181 0.687 9.272 712 2HG2 VAL 91 2HG2 VAL 91 -12.569 1.013 8.637 713 3HG2 VAL 91 3HG2 VAL 91 -12.758 0.328 10.248 714 H SER 92 H SER 92 -13.635 -1.632 5.701 715 HA SER 92 HA SER 92 -13.566 -4.445 5.658 716 1HB SER 92 2HB SER 92 -14.239 -2.677 3.298 717 2HB SER 92 1HB SER 92 -14.795 -4.324 3.603 718 HG SER 92 HG SER 92 -16.454 -3.179 4.335 719 H ALA 93 H ALA 93 -11.303 -2.147 4.662 720 HA ALA 93 HA ALA 93 -10.103 -3.580 2.524 721 1HB ALA 93 1HB ALA 93 -9.984 -1.046 3.185 722 2HB ALA 93 2HB ALA 93 -8.643 -1.836 2.365 723 3HB ALA 93 3HB ALA 93 -8.591 -1.594 4.112 724 H TYR 94 H TYR 94 -9.157 -2.945 5.859 725 HA TYR 94 HA TYR 94 -6.822 -4.439 5.923 726 1HB TYR 94 2HB TYR 94 -8.598 -4.346 8.336 727 2HB TYR 94 1HB TYR 94 -6.845 -4.251 8.249 728 HD1 TYR 94 1HD TYR 94 -6.141 -2.111 6.631 729 HD2 TYR 94 2HD TYR 94 -9.581 -2.418 9.118 730 HE1 TYR 94 1HE TYR 94 -6.252 0.334 6.768 731 HE2 TYR 94 2HE TYR 94 -9.697 0.032 9.261 732 HH TYR 94 HH TYR 94 -8.522 1.961 8.901 733 H GLN 95 H GLN 95 -10.119 -5.427 6.306 734 HA GLN 95 HA GLN 95 -9.518 -8.083 7.195 735 1HB GLN 95 2HB GLN 95 -11.887 -8.515 6.925 736 2HB GLN 95 1HB GLN 95 -11.667 -6.939 7.676 737 1HG GLN 95 2HG GLN 95 -13.198 -6.327 6.152 738 2HG GLN 95 1HG GLN 95 -11.773 -6.181 5.131 739 1HE2 GLN 95 1HE2 GLN 95 -13.947 -6.431 3.756 740 2HE2 GLN 95 2HE2 GLN 95 -14.174 -8.032 3.138 741 H GLN 96 H GLN 96 -10.082 -6.526 4.127 742 HA GLN 96 HA GLN 96 -9.893 -9.064 2.731 743 1HB GLN 96 2HB GLN 96 -10.823 -7.970 0.846 744 2HB GLN 96 1HB GLN 96 -11.741 -7.434 2.244 745 1HG GLN 96 2HG GLN 96 -10.167 -5.426 2.281 746 2HG GLN 96 1HG GLN 96 -9.711 -5.918 0.652 747 1HE2 GLN 96 1HE2 GLN 96 -10.541 -3.933 -0.110 748 2HE2 GLN 96 2HE2 GLN 96 -12.242 -3.698 -0.312 749 H GLY 97 H GLY 97 -7.650 -7.161 3.930 750 1HA GLY 97 2HA GLY 97 -5.373 -7.677 3.099 751 2HA GLY 97 1HA GLY 97 -5.972 -7.287 1.497 752 H ALA 98 H ALA 98 -5.295 -5.905 4.690 753 HA ALA 98 HA ALA 98 -4.047 -3.641 3.566 754 1HB ALA 98 1HB ALA 98 -5.914 -2.501 3.094 755 2HB ALA 98 2HB ALA 98 -5.800 -2.069 4.795 756 3HB ALA 98 3HB ALA 98 -6.875 -3.363 4.284 757 H PHE 99 H PHE 99 -2.683 -2.733 4.973 758 HA PHE 99 HA PHE 99 -2.433 -3.923 7.544 759 1HB PHE 99 2HB PHE 99 -0.550 -3.085 5.994 760 2HB PHE 99 1HB PHE 99 -0.913 -1.491 6.654 761 HD1 PHE 99 1HD PHE 99 -0.913 -4.789 8.365 762 HD2 PHE 99 2HD PHE 99 0.926 -0.976 7.963 763 HE1 PHE 99 1HE PHE 99 0.489 -5.265 10.327 764 HE2 PHE 99 2HE PHE 99 2.334 -1.444 9.928 765 HZ PHE 99 HZ PHE 99 2.116 -3.591 11.111 766 H ASP 100 H ASP 100 -3.073 -0.579 6.459 767 HA ASP 100 HA ASP 100 -5.017 -0.057 8.390 768 1HB ASP 100 2HB ASP 100 -2.540 -0.197 9.603 769 2HB ASP 100 1HB ASP 100 -2.771 1.534 9.365 770 H TYR 101 H TYR 101 -4.686 2.563 8.993 771 HA TYR 101 HA TYR 101 -4.261 3.950 6.436 772 1HB TYR 101 2HB TYR 101 -6.779 3.678 7.968 773 2HB TYR 101 1HB TYR 101 -6.401 5.305 7.420 774 HD1 TYR 101 1HD TYR 101 -7.010 1.844 6.284 775 HD2 TYR 101 2HD TYR 101 -6.679 5.921 5.152 776 HE1 TYR 101 1HE TYR 101 -7.956 1.297 4.080 777 HE2 TYR 101 2HE TYR 101 -7.614 5.392 2.940 778 HH TYR 101 HH TYR 101 -8.136 3.702 1.513 779 H LEU 102 H LEU 102 -3.822 6.227 6.667 780 HA LEU 102 HA LEU 102 -2.795 6.888 9.334 781 1HB LEU 102 2HB LEU 102 -2.090 7.860 6.585 782 2HB LEU 102 1HB LEU 102 -1.643 8.777 8.006 783 HG LEU 102 HG LEU 102 0.285 7.586 7.575 784 1HD1 LEU 102 1HD1 LEU 102 -1.320 6.423 9.704 785 2HD1 LEU 102 2HD1 LEU 102 0.354 6.960 9.700 786 3HD1 LEU 102 3HD1 LEU 102 -0.058 5.357 9.102 787 1HD2 LEU 102 1HD2 LEU 102 -1.527 5.414 6.637 788 2HD2 LEU 102 2HD2 LEU 102 0.160 5.078 7.026 789 3HD2 LEU 102 3HD2 LEU 102 -0.237 6.254 5.772 790 HA PRO 103 HA PRO 103 -6.286 9.654 9.676 791 1HB PRO 103 2HB PRO 103 -5.517 10.805 12.041 792 2HB PRO 103 1HB PRO 103 -6.353 9.254 11.920 793 1HG PRO 103 2HG PRO 103 -3.454 9.817 12.340 794 2HG PRO 103 1HG PRO 103 -4.465 8.542 13.038 795 1HD PRO 103 2HD PRO 103 -2.734 8.112 10.987 796 2HD PRO 103 1HD PRO 103 -4.224 7.176 11.213 797 H LYS 104 H LYS 104 -3.606 11.366 11.250 798 HA LYS 104 HA LYS 104 -3.945 13.491 9.251 799 1HB LYS 104 2HB LYS 104 -4.366 13.841 11.822 800 2HB LYS 104 1HB LYS 104 -2.618 14.014 11.872 801 1HG LYS 104 2HG LYS 104 -3.042 16.166 11.458 802 2HG LYS 104 1HG LYS 104 -3.227 15.625 9.788 803 1HD LYS 104 2HD LYS 104 -5.264 16.542 9.891 804 2HD LYS 104 1HD LYS 104 -5.706 15.133 10.857 805 1HE LYS 104 2HE LYS 104 -5.813 16.319 12.767 806 2HE LYS 104 1HE LYS 104 -4.415 17.308 12.350 807 1HZ LYS 104 1HZ LYS 104 -6.109 18.828 12.266 808 2HZ LYS 104 2HZ LYS 104 -7.246 17.721 11.682 809 3HZ LYS 104 3HZ LYS 104 -6.058 18.338 10.647 810 HA PRO 105 HA PRO 105 0.772 13.196 9.593 811 1HB PRO 105 2HB PRO 105 1.974 11.517 11.307 812 2HB PRO 105 1HB PRO 105 1.397 13.106 11.822 813 1HG PRO 105 2HG PRO 105 0.168 10.420 12.231 814 2HG PRO 105 1HG PRO 105 0.245 11.799 13.340 815 1HD PRO 105 2HD PRO 105 -1.952 11.124 11.802 816 2HD PRO 105 1HD PRO 105 -1.645 12.733 12.476 817 H PHE 106 H PHE 106 2.378 11.732 8.612 818 HA PHE 106 HA PHE 106 2.076 9.034 8.282 819 1HB PHE 106 2HB PHE 106 1.117 8.819 6.022 820 2HB PHE 106 1HB PHE 106 -0.040 9.362 7.219 821 HD1 PHE 106 1HD PHE 106 -0.045 12.145 7.315 822 HD2 PHE 106 2HD PHE 106 0.856 9.646 3.995 823 HE1 PHE 106 1HE PHE 106 -0.704 13.955 5.789 824 HE2 PHE 106 2HE PHE 106 0.200 11.459 2.453 825 HZ PHE 106 HZ PHE 106 -0.581 13.615 3.353 826 H ASP 107 H ASP 107 2.456 10.977 5.364 827 HA ASP 107 HA ASP 107 4.233 11.081 3.933 828 1HB ASP 107 2HB ASP 107 6.196 12.223 4.895 829 2HB ASP 107 1HB ASP 107 4.690 12.968 5.415 830 H ILE 108 H ILE 108 6.979 10.592 4.270 831 HA ILE 108 HA ILE 108 7.014 7.783 4.037 832 HB ILE 108 HB ILE 108 8.848 9.900 3.544 833 1HG1 ILE 108 2HG1 ILE 108 9.822 8.208 2.026 834 2HG1 ILE 108 1HG1 ILE 108 8.815 6.982 2.781 835 1HG2 ILE 108 1HG2 ILE 108 10.129 9.293 5.450 836 2HG2 ILE 108 2HG2 ILE 108 10.944 8.601 4.046 837 3HG2 ILE 108 3HG2 ILE 108 9.959 7.574 5.087 838 1HD1 ILE 108 1HD1 ILE 108 7.683 9.417 1.439 839 2HD1 ILE 108 2HD1 ILE 108 6.837 7.950 1.945 840 3HD1 ILE 108 3HD1 ILE 108 7.979 7.894 0.599 841 H ASP 109 H ASP 109 8.086 9.932 6.585 842 HA ASP 109 HA ASP 109 9.356 8.171 8.259 843 1HB ASP 109 2HB ASP 109 8.990 10.681 8.570 844 2HB ASP 109 1HB ASP 109 7.448 10.254 9.308 845 H GLU 110 H GLU 110 5.877 8.978 8.451 846 HA GLU 110 HA GLU 110 5.385 6.790 10.212 847 1HB GLU 110 2HB GLU 110 3.639 8.840 8.914 848 2HB GLU 110 1HB GLU 110 2.934 7.483 9.769 849 1HG GLU 110 2HG GLU 110 5.002 8.974 11.227 850 2HG GLU 110 1HG GLU 110 3.521 9.867 10.869 851 H ALA 111 H ALA 111 5.045 7.358 6.784 852 HA ALA 111 HA ALA 111 3.392 5.132 6.212 853 1HB ALA 111 1HB ALA 111 5.316 6.645 4.453 854 2HB ALA 111 2HB ALA 111 3.565 6.854 4.557 855 3HB ALA 111 3HB ALA 111 4.243 5.374 3.872 856 H VAL 112 H VAL 112 6.903 5.563 5.706 857 HA VAL 112 HA VAL 112 7.439 2.875 5.137 858 HB VAL 112 HB VAL 112 9.305 4.858 6.424 859 1HG1 VAL 112 1HG1 VAL 112 9.621 2.119 5.910 860 2HG1 VAL 112 2HG1 VAL 112 10.876 3.280 6.348 861 3HG1 VAL 112 3HG1 VAL 112 10.533 2.951 4.649 862 1HG2 VAL 112 1HG2 VAL 112 8.833 5.956 4.483 863 2HG2 VAL 112 2HG2 VAL 112 8.365 4.483 3.634 864 3HG2 VAL 112 3HG2 VAL 112 10.071 4.859 3.873 865 H ALA 113 H ALA 113 7.024 4.577 8.112 866 HA ALA 113 HA ALA 113 8.152 2.667 9.868 867 1HB ALA 113 1HB ALA 113 6.825 3.818 11.601 868 2HB ALA 113 2HB ALA 113 5.986 4.712 10.333 869 3HB ALA 113 3HB ALA 113 7.716 4.948 10.583 870 H LEU 114 H LEU 114 4.878 3.296 8.720 871 HA LEU 114 HA LEU 114 3.705 1.083 10.068 872 1HB LEU 114 2HB LEU 114 2.572 3.254 9.362 873 2HB LEU 114 1HB LEU 114 2.541 2.595 7.740 874 HG LEU 114 HG LEU 114 1.076 0.797 8.441 875 1HD1 LEU 114 1HD1 LEU 114 0.231 1.489 10.996 876 2HD1 LEU 114 2HD1 LEU 114 1.995 1.531 11.074 877 3HD1 LEU 114 3HD1 LEU 114 1.169 0.070 10.534 878 1HD2 LEU 114 1HD2 LEU 114 -0.181 2.640 7.789 879 2HD2 LEU 114 2HD2 LEU 114 0.293 3.580 9.197 880 3HD2 LEU 114 3HD2 LEU 114 -0.843 2.245 9.371 881 H VAL 115 H VAL 115 5.377 1.458 7.069 882 HA VAL 115 HA VAL 115 4.156 -0.825 5.824 883 HB VAL 115 HB VAL 115 5.170 1.107 4.527 884 1HG1 VAL 115 1HG1 VAL 115 7.760 -0.366 4.938 885 2HG1 VAL 115 2HG1 VAL 115 7.318 1.075 5.841 886 3HG1 VAL 115 3HG1 VAL 115 7.496 1.160 4.095 887 1HG2 VAL 115 1HG2 VAL 115 6.325 -0.636 2.897 888 2HG2 VAL 115 2HG2 VAL 115 4.576 -0.583 3.124 889 3HG2 VAL 115 3HG2 VAL 115 5.543 -1.778 3.985 890 H GLU 116 H GLU 116 7.316 -0.164 7.301 891 HA GLU 116 HA GLU 116 8.376 -2.742 6.937 892 1HB GLU 116 2HB GLU 116 9.021 -0.596 8.955 893 2HB GLU 116 1HB GLU 116 9.957 -2.075 8.772 894 1HG GLU 116 2HG GLU 116 10.250 -1.412 6.340 895 2HG GLU 116 1HG GLU 116 9.622 0.167 6.810 896 H ARG 117 H ARG 117 6.459 -1.317 9.520 897 HA ARG 117 HA ARG 117 6.705 -3.448 11.347 898 1HB ARG 117 2HB ARG 117 4.622 -1.297 11.000 899 2HB ARG 117 1HB ARG 117 4.569 -2.467 12.313 900 1HG ARG 117 2HG ARG 117 6.872 -0.602 11.788 901 2HG ARG 117 1HG ARG 117 5.574 -0.296 12.946 902 1HD ARG 117 2HD ARG 117 6.331 -2.763 13.716 903 2HD ARG 117 1HD ARG 117 7.864 -2.151 13.098 904 HE ARG 117 HE ARG 117 6.694 -0.228 14.789 905 1HH1 ARG 117 1HH1 ARG 117 8.252 -3.348 14.923 906 2HH1 ARG 117 2HH1 ARG 117 8.860 -3.115 16.527 907 1HH2 ARG 117 1HH2 ARG 117 7.491 0.080 16.897 908 2HH2 ARG 117 2HH2 ARG 117 8.427 -1.168 17.650 909 H ALA 118 H ALA 118 4.807 -3.011 8.510 910 HA ALA 118 HA ALA 118 2.823 -4.969 9.098 911 1HB ALA 118 1HB ALA 118 3.537 -4.125 6.320 912 2HB ALA 118 2HB ALA 118 2.716 -3.013 7.416 913 3HB ALA 118 3HB ALA 118 1.958 -4.545 6.987 914 H ILE 119 H ILE 119 5.871 -4.957 7.330 915 HA ILE 119 HA ILE 119 5.614 -7.608 6.350 916 HB ILE 119 HB ILE 119 8.172 -6.073 6.750 917 1HG1 ILE 119 2HG1 ILE 119 6.818 -6.051 4.116 918 2HG1 ILE 119 1HG1 ILE 119 6.080 -5.068 5.371 919 1HG2 ILE 119 1HG2 ILE 119 8.589 -8.354 6.196 920 2HG2 ILE 119 2HG2 ILE 119 8.868 -7.393 4.743 921 3HG2 ILE 119 3HG2 ILE 119 7.378 -8.322 4.913 922 1HD1 ILE 119 1HD1 ILE 119 7.782 -3.971 3.836 923 2HD1 ILE 119 2HD1 ILE 119 8.994 -4.876 4.742 924 3HD1 ILE 119 3HD1 ILE 119 7.953 -3.720 5.571 925 H SER 120 H SER 120 6.845 -6.163 9.242 926 HA SER 120 HA SER 120 8.335 -8.367 10.197 927 1HB SER 120 2HB SER 120 8.786 -6.222 11.149 928 2HB SER 120 1HB SER 120 7.097 -5.995 11.600 929 HG SER 120 HG SER 120 8.378 -8.234 12.641 930 H HIS 121 H HIS 121 4.961 -7.422 10.493 931 HA HIS 121 HA HIS 121 4.281 -9.326 12.484 932 1HB HIS 121 2HB HIS 121 2.734 -7.590 10.605 933 2HB HIS 121 1HB HIS 121 1.900 -8.897 11.438 934 HD1 HIS 121 1HD HIS 121 4.043 -5.878 12.291 935 HD2 HIS 121 2HD HIS 121 1.048 -8.245 13.932 936 HE1 HIS 121 1HE HIS 121 3.429 -4.773 14.463 937 HE2 HIS 121 2HE HIS 121 1.663 -6.262 15.473 938 H TYR 122 H TYR 122 4.624 -9.479 9.053 939 HA TYR 122 HA TYR 122 3.103 -11.852 8.666 940 1HB TYR 122 2HB TYR 122 4.113 -9.964 6.987 941 2HB TYR 122 1HB TYR 122 5.252 -11.284 6.734 942 HD1 TYR 122 1HD TYR 122 3.517 -13.642 6.973 943 HD2 TYR 122 2HD TYR 122 2.801 -9.907 5.069 944 HE1 TYR 122 1HE TYR 122 1.919 -14.731 5.455 945 HE2 TYR 122 2HE TYR 122 1.201 -10.984 3.543 946 HH TYR 122 HH TYR 122 0.753 -13.260 2.652 947 H GLN 123 H GLN 123 6.602 -11.202 8.724 948 HA GLN 123 HA GLN 123 7.260 -13.984 8.733 949 1HB GLN 123 2HB GLN 123 9.573 -13.229 8.940 950 2HB GLN 123 1HB GLN 123 8.734 -12.333 7.680 951 1HG GLN 123 2HG GLN 123 8.303 -10.631 9.636 952 2HG GLN 123 1HG GLN 123 9.722 -11.416 10.328 953 1HE2 GLN 123 1HE2 GLN 123 11.115 -9.729 10.123 954 2HE2 GLN 123 2HE2 GLN 123 11.641 -9.096 8.605 955 H GLU 124 H GLU 124 9.226 -14.352 10.516 956 HA GLU 124 HA GLU 124 7.772 -14.425 13.031 957 1HB GLU 124 2HB GLU 124 8.902 -16.453 12.203 958 2HB GLU 124 1HB GLU 124 10.448 -15.618 12.280 959 1HG GLU 124 2HG GLU 124 8.868 -15.672 14.769 960 2HG GLU 124 1HG GLU 124 9.524 -17.213 14.219 Start of MODEL 22 1 1H MET 1 1HT MET 1 13.493 -17.073 7.224 2 2H MET 1 2HT MET 1 12.733 -17.230 5.694 3 3H MET 1 3HT MET 1 11.942 -16.390 6.965 4 HA MET 1 HA MET 1 13.545 -14.686 6.933 5 1HB MET 1 2HB MET 1 14.847 -16.377 4.789 6 2HB MET 1 1HB MET 1 15.348 -14.747 5.221 7 1HG MET 1 2HG MET 1 15.456 -17.202 6.956 8 2HG MET 1 1HG MET 1 16.815 -16.326 6.257 9 1HE MET 1 1HE MET 1 14.704 -16.995 9.112 10 2HE MET 1 2HE MET 1 13.656 -15.616 8.784 11 3HE MET 1 3HE MET 1 14.739 -15.586 10.173 12 H GLN 2 H GLN 2 12.958 -16.277 3.790 13 HA GLN 2 HA GLN 2 11.799 -15.627 1.947 14 1HB GLN 2 2HB GLN 2 10.250 -14.743 4.190 15 2HB GLN 2 1HB GLN 2 10.096 -13.573 2.885 16 1HG GLN 2 2HG GLN 2 8.350 -15.074 2.547 17 2HG GLN 2 1HG GLN 2 9.584 -15.563 1.386 18 1HE2 GLN 2 1HE2 GLN 2 8.340 -16.259 4.616 19 2HE2 GLN 2 2HE2 GLN 2 8.707 -17.946 4.590 20 H ARG 3 H ARG 3 11.678 -13.986 0.361 21 HA ARG 3 HA ARG 3 13.811 -12.134 0.462 22 1HB ARG 3 2HB ARG 3 12.895 -11.376 -1.764 23 2HB ARG 3 1HB ARG 3 13.328 -13.076 -1.651 24 1HG ARG 3 2HG ARG 3 10.752 -13.263 -0.990 25 2HG ARG 3 1HG ARG 3 10.681 -11.808 -1.974 26 1HD ARG 3 2HD ARG 3 11.628 -12.944 -3.849 27 2HD ARG 3 1HD ARG 3 11.977 -14.371 -2.874 28 HE ARG 3 HE ARG 3 9.527 -13.756 -4.161 29 1HH1 ARG 3 1HH1 ARG 3 10.841 -15.225 -1.278 30 2HH1 ARG 3 2HH1 ARG 3 9.451 -16.220 -1.001 31 1HH2 ARG 3 1HH2 ARG 3 7.700 -15.061 -3.796 32 2HH2 ARG 3 2HH2 ARG 3 7.667 -16.127 -2.432 33 H GLY 4 H GLY 4 10.353 -11.555 0.028 34 1HA GLY 4 2HA GLY 4 9.104 -9.932 1.247 35 2HA GLY 4 1HA GLY 4 10.612 -9.102 1.616 36 H ILE 5 H ILE 5 7.952 -9.331 -0.504 37 HA ILE 5 HA ILE 5 9.199 -7.415 -2.362 38 HB ILE 5 HB ILE 5 6.676 -8.949 -2.919 39 1HG1 ILE 5 2HG1 ILE 5 8.285 -10.662 -2.496 40 2HG1 ILE 5 1HG1 ILE 5 8.149 -10.510 -4.245 41 1HG2 ILE 5 1HG2 ILE 5 8.307 -8.411 -5.197 42 2HG2 ILE 5 2HG2 ILE 5 8.096 -6.923 -4.273 43 3HG2 ILE 5 3HG2 ILE 5 6.686 -7.824 -4.830 44 1HD1 ILE 5 1HD1 ILE 5 10.180 -8.796 -3.718 45 2HD1 ILE 5 2HD1 ILE 5 10.379 -10.483 -4.187 46 3HD1 ILE 5 3HD1 ILE 5 10.427 -10.027 -2.481 47 H VAL 6 H VAL 6 8.673 -5.382 -1.924 48 HA VAL 6 HA VAL 6 5.970 -4.825 -0.912 49 HB VAL 6 HB VAL 6 7.682 -4.068 0.635 50 1HG1 VAL 6 1HG1 VAL 6 9.625 -3.190 0.019 51 2HG1 VAL 6 2HG1 VAL 6 8.831 -1.943 -0.945 52 3HG1 VAL 6 3HG1 VAL 6 9.166 -3.521 -1.649 53 1HG2 VAL 6 1HG2 VAL 6 6.548 -2.208 1.123 54 2HG2 VAL 6 2HG2 VAL 6 5.618 -2.541 -0.338 55 3HG2 VAL 6 3HG2 VAL 6 6.991 -1.432 -0.400 56 H TRP 7 H TRP 7 4.589 -3.862 -2.234 57 HA TRP 7 HA TRP 7 5.665 -2.432 -4.574 58 1HB TRP 7 2HB TRP 7 3.184 -4.101 -4.219 59 2HB TRP 7 1HB TRP 7 3.343 -2.961 -5.551 60 HD1 TRP 7 HD1 TRP 7 6.653 -4.425 -4.877 61 HE1 TRP 7 1HE TRP 7 7.199 -6.271 -6.575 62 HE3 TRP 7 3HE TRP 7 1.992 -5.098 -6.858 63 HZ2 TRP 7 2HZ TRP 7 5.825 -7.830 -8.493 64 HZ3 TRP 7 3HZ TRP 7 1.689 -6.787 -8.617 65 HH2 TRP 7 HH2 TRP 7 3.568 -8.126 -9.417 66 H VAL 8 H VAL 8 5.088 -0.352 -4.904 67 HA VAL 8 HA VAL 8 3.089 0.797 -3.061 68 HB VAL 8 HB VAL 8 5.136 2.590 -4.232 69 1HG1 VAL 8 1HG1 VAL 8 3.609 3.646 -2.834 70 2HG1 VAL 8 2HG1 VAL 8 5.020 3.410 -1.802 71 3HG1 VAL 8 3HG1 VAL 8 3.635 2.333 -1.659 72 1HG2 VAL 8 1HG2 VAL 8 5.807 0.316 -2.463 73 2HG2 VAL 8 2HG2 VAL 8 6.500 1.882 -2.039 74 3HG2 VAL 8 3HG2 VAL 8 6.806 1.187 -3.631 75 H VAL 9 H VAL 9 1.666 2.346 -3.834 76 HA VAL 9 HA VAL 9 1.722 2.783 -6.742 77 HB VAL 9 HB VAL 9 -0.970 3.018 -5.838 78 1HG1 VAL 9 1HG1 VAL 9 0.566 1.304 -7.735 79 2HG1 VAL 9 2HG1 VAL 9 -0.624 2.551 -8.082 80 3HG1 VAL 9 3HG1 VAL 9 -1.140 0.984 -7.462 81 1HG2 VAL 9 1HG2 VAL 9 0.380 0.441 -5.045 82 2HG2 VAL 9 2HG2 VAL 9 -1.365 0.626 -5.227 83 3HG2 VAL 9 3HG2 VAL 9 -0.503 1.554 -4.000 84 H ASP 10 H ASP 10 2.218 4.816 -7.091 85 HA ASP 10 HA ASP 10 0.612 6.934 -6.011 86 1HB ASP 10 2HB ASP 10 2.605 6.293 -4.353 87 2HB ASP 10 1HB ASP 10 3.512 7.331 -5.448 88 H ASP 11 H ASP 11 2.341 9.077 -6.566 89 HA ASP 11 HA ASP 11 2.026 9.287 -9.356 90 1HB ASP 11 2HB ASP 11 3.701 11.017 -7.529 91 2HB ASP 11 1HB ASP 11 3.124 11.453 -9.134 92 H ASP 12 H ASP 12 4.341 7.542 -7.755 93 HA ASP 12 HA ASP 12 6.286 6.569 -8.428 94 1HB ASP 12 2HB ASP 12 4.808 6.643 -10.649 95 2HB ASP 12 1HB ASP 12 6.084 7.738 -11.166 96 H SER 13 H SER 13 7.906 7.893 -10.688 97 HA SER 13 HA SER 13 9.865 9.057 -10.598 98 1HB SER 13 2HB SER 13 7.839 10.460 -11.429 99 2HB SER 13 1HB SER 13 8.170 11.425 -9.993 100 HG SER 13 HG SER 13 10.253 10.741 -11.758 101 H SER 14 H SER 14 8.211 11.128 -8.305 102 HA SER 14 HA SER 14 10.553 11.252 -6.658 103 1HB SER 14 2HB SER 14 7.943 12.655 -6.796 104 2HB SER 14 1HB SER 14 8.766 12.650 -5.236 105 HG SER 14 HG SER 14 10.101 13.350 -7.624 106 H ILE 15 H ILE 15 7.256 9.990 -6.237 107 HA ILE 15 HA ILE 15 7.587 9.253 -3.546 108 HB ILE 15 HB ILE 15 5.720 7.913 -5.488 109 1HG1 ILE 15 2HG1 ILE 15 5.466 10.349 -5.647 110 2HG1 ILE 15 1HG1 ILE 15 4.075 9.630 -4.844 111 1HG2 ILE 15 1HG2 ILE 15 5.159 8.452 -2.606 112 2HG2 ILE 15 2HG2 ILE 15 6.188 7.091 -3.052 113 3HG2 ILE 15 3HG2 ILE 15 4.533 7.179 -3.655 114 1HD1 ILE 15 1HD1 ILE 15 4.727 11.661 -3.728 115 2HD1 ILE 15 2HD1 ILE 15 6.366 11.048 -3.510 116 3HD1 ILE 15 3HD1 ILE 15 5.018 10.279 -2.674 117 H ARG 16 H ARG 16 8.302 7.574 -6.511 118 HA ARG 16 HA ARG 16 8.698 5.015 -5.317 119 1HB ARG 16 2HB ARG 16 9.818 4.465 -7.476 120 2HB ARG 16 1HB ARG 16 8.180 5.073 -7.621 121 1HG ARG 16 2HG ARG 16 8.975 6.441 -9.171 122 2HG ARG 16 1HG ARG 16 9.715 7.343 -7.849 123 1HD ARG 16 2HD ARG 16 11.784 6.223 -8.121 124 2HD ARG 16 1HD ARG 16 11.064 4.999 -9.164 125 HE ARG 16 HE ARG 16 10.862 7.641 -10.240 126 1HH1 ARG 16 1HH1 ARG 16 12.956 4.873 -9.914 127 2HH1 ARG 16 2HH1 ARG 16 13.881 5.249 -11.327 128 1HH2 ARG 16 1HH2 ARG 16 12.074 8.140 -12.101 129 2HH2 ARG 16 2HH2 ARG 16 13.382 7.106 -12.569 130 H TRP 17 H TRP 17 11.018 7.398 -6.593 131 HA TRP 17 HA TRP 17 13.372 6.156 -5.999 132 1HB TRP 17 2HB TRP 17 13.158 8.315 -7.198 133 2HB TRP 17 1HB TRP 17 12.874 9.112 -5.651 134 HD1 TRP 17 HD1 TRP 17 15.652 7.339 -7.625 135 HE1 TRP 17 1HE TRP 17 17.923 8.029 -6.632 136 HE3 TRP 17 3HE TRP 17 13.997 9.980 -3.572 137 HZ2 TRP 17 2HZ TRP 17 18.886 9.499 -4.423 138 HZ3 TRP 17 3HZ TRP 17 15.658 10.995 -2.067 139 HH2 TRP 17 HH2 TRP 17 18.052 10.758 -2.485 140 H VAL 18 H VAL 18 11.426 8.082 -3.723 141 HA VAL 18 HA VAL 18 13.365 7.906 -1.657 142 HB VAL 18 HB VAL 18 10.546 8.329 -0.865 143 1HG1 VAL 18 1HG1 VAL 18 11.451 9.624 0.779 144 2HG1 VAL 18 2HG1 VAL 18 12.795 10.162 -0.225 145 3HG1 VAL 18 3HG1 VAL 18 12.808 8.541 0.473 146 1HG2 VAL 18 1HG2 VAL 18 10.107 9.858 -2.415 147 2HG2 VAL 18 2HG2 VAL 18 11.759 9.825 -3.031 148 3HG2 VAL 18 3HG2 VAL 18 11.347 10.857 -1.664 149 H LEU 19 H LEU 19 10.193 6.410 -1.973 150 HA LEU 19 HA LEU 19 10.482 4.765 0.270 151 1HB LEU 19 2HB LEU 19 8.563 4.985 -1.946 152 2HB LEU 19 1HB LEU 19 8.628 3.421 -1.148 153 HG LEU 19 HG LEU 19 8.111 4.425 0.987 154 1HD1 LEU 19 1HD1 LEU 19 8.065 6.662 1.451 155 2HD1 LEU 19 2HD1 LEU 19 7.696 7.112 -0.218 156 3HD1 LEU 19 3HD1 LEU 19 9.331 6.619 0.223 157 1HD2 LEU 19 1HD2 LEU 19 5.863 4.959 0.617 158 2HD2 LEU 19 2HD2 LEU 19 6.305 3.902 -0.721 159 3HD2 LEU 19 3HD2 LEU 19 6.197 5.646 -0.974 160 H GLU 20 H GLU 20 11.415 4.265 -3.043 161 HA GLU 20 HA GLU 20 11.730 1.466 -2.860 162 1HB GLU 20 2HB GLU 20 12.835 1.555 -4.956 163 2HB GLU 20 1HB GLU 20 11.554 2.748 -4.999 164 1HG GLU 20 2HG GLU 20 13.262 4.486 -4.501 165 2HG GLU 20 1HG GLU 20 14.498 3.239 -4.674 166 H ARG 21 H ARG 21 14.201 4.010 -2.887 167 HA ARG 21 HA ARG 21 16.382 2.400 -2.270 168 1HB ARG 21 2HB ARG 21 15.839 5.320 -1.776 169 2HB ARG 21 1HB ARG 21 17.366 4.574 -1.324 170 1HG ARG 21 2HG ARG 21 16.446 4.125 -4.094 171 2HG ARG 21 1HG ARG 21 16.953 5.762 -3.678 172 1HD ARG 21 2HD ARG 21 18.583 3.249 -3.320 173 2HD ARG 21 1HD ARG 21 18.811 4.462 -4.576 174 HE ARG 21 HE ARG 21 19.621 5.966 -2.940 175 1HH1 ARG 21 1HH1 ARG 21 18.953 2.789 -1.636 176 2HH1 ARG 21 2HH1 ARG 21 19.937 3.027 -0.235 177 1HH2 ARG 21 1HH2 ARG 21 20.912 6.268 -1.094 178 2HH2 ARG 21 2HH2 ARG 21 21.048 4.997 0.076 179 H ALA 22 H ALA 22 14.373 4.323 -0.025 180 HA ALA 22 HA ALA 22 15.705 3.569 2.307 181 1HB ALA 22 1HB ALA 22 13.958 5.413 1.977 182 2HB ALA 22 2HB ALA 22 13.952 4.537 3.508 183 3HB ALA 22 3HB ALA 22 12.766 4.145 2.262 184 H LEU 23 H LEU 23 12.951 2.091 0.706 185 HA LEU 23 HA LEU 23 12.662 0.069 2.702 186 1HB LEU 23 2HB LEU 23 10.888 0.948 1.030 187 2HB LEU 23 1HB LEU 23 11.610 -0.187 -0.095 188 HG LEU 23 HG LEU 23 10.783 -2.023 0.998 189 1HD1 LEU 23 1HD1 LEU 23 11.823 -1.637 3.147 190 2HD1 LEU 23 2HD1 LEU 23 10.136 -2.089 3.370 191 3HD1 LEU 23 3HD1 LEU 23 10.625 -0.400 3.535 192 1HD2 LEU 23 1HD2 LEU 23 8.946 -0.468 0.245 193 2HD2 LEU 23 2HD2 LEU 23 8.756 -0.018 1.941 194 3HD2 LEU 23 3HD2 LEU 23 8.495 -1.691 1.436 195 H ALA 24 H ALA 24 14.580 0.487 -0.113 196 HA ALA 24 HA ALA 24 15.187 -2.248 -0.595 197 1HB ALA 24 1HB ALA 24 17.176 -1.260 -1.826 198 2HB ALA 24 2HB ALA 24 16.558 0.325 -1.361 199 3HB ALA 24 3HB ALA 24 15.586 -0.735 -2.382 200 H GLY 25 H GLY 25 16.485 0.307 1.441 201 1HA GLY 25 2HA GLY 25 18.873 -0.998 2.219 202 2HA GLY 25 1HA GLY 25 18.048 0.267 3.125 203 H ALA 26 H ALA 26 15.555 -1.377 3.154 204 HA ALA 26 HA ALA 26 16.072 -2.755 5.602 205 1HB ALA 26 1HB ALA 26 13.672 -2.133 3.962 206 2HB ALA 26 2HB ALA 26 13.998 -1.788 5.662 207 3HB ALA 26 3HB ALA 26 13.563 -3.425 5.158 208 H GLY 27 H GLY 27 16.133 -3.620 2.299 209 1HA GLY 27 2HA GLY 27 17.063 -5.698 1.617 210 2HA GLY 27 1HA GLY 27 16.432 -6.427 3.080 211 H LEU 28 H LEU 28 14.348 -4.416 1.045 212 HA LEU 28 HA LEU 28 13.107 -6.890 0.090 213 1HB LEU 28 2HB LEU 28 11.314 -4.593 0.502 214 2HB LEU 28 1HB LEU 28 11.018 -6.305 0.733 215 HG LEU 28 HG LEU 28 12.695 -5.873 2.780 216 1HD1 LEU 28 1HD1 LEU 28 13.168 -3.708 2.860 217 2HD1 LEU 28 2HD1 LEU 28 11.617 -3.621 3.694 218 3HD1 LEU 28 3HD1 LEU 28 11.718 -3.252 1.973 219 1HD2 LEU 28 1HD2 LEU 28 10.914 -6.389 4.030 220 2HD2 LEU 28 2HD2 LEU 28 10.069 -6.508 2.487 221 3HD2 LEU 28 3HD2 LEU 28 9.978 -5.019 3.429 222 H THR 29 H THR 29 11.481 -6.439 -1.715 223 HA THR 29 HA THR 29 12.832 -4.752 -3.692 224 HB THR 29 HB THR 29 10.878 -7.036 -3.960 225 HG1 THR 29 1HG THR 29 13.622 -6.713 -4.281 226 1HG2 THR 29 1HG2 THR 29 10.241 -6.189 -5.909 227 2HG2 THR 29 2HG2 THR 29 11.861 -6.601 -6.474 228 3HG2 THR 29 3HG2 THR 29 11.515 -4.970 -5.897 229 H CYS 30 H CYS 30 12.054 -2.739 -3.683 230 HA CYS 30 HA CYS 30 9.189 -2.271 -3.324 231 1HB CYS 30 2HB CYS 30 11.087 -1.009 -2.084 232 2HB CYS 30 1HB CYS 30 11.249 -0.121 -3.597 233 HG CYS 30 HG CYS 30 9.607 1.292 -2.333 234 H THR 31 H THR 31 7.944 -2.105 -5.096 235 HA THR 31 HA THR 31 9.103 -0.775 -7.452 236 HB THR 31 HB THR 31 8.741 -3.356 -7.655 237 HG1 THR 31 1HG THR 31 7.511 -1.642 -9.560 238 1HG2 THR 31 1HG2 THR 31 6.686 -4.222 -7.879 239 2HG2 THR 31 2HG2 THR 31 6.017 -2.740 -8.557 240 3HG2 THR 31 3HG2 THR 31 6.244 -2.886 -6.815 241 H THR 32 H THR 32 7.910 0.882 -8.186 242 HA THR 32 HA THR 32 5.368 1.375 -6.860 243 HB THR 32 HB THR 32 5.747 3.724 -7.433 244 HG1 THR 32 1HG THR 32 6.973 3.966 -9.130 245 1HG2 THR 32 1HG2 THR 32 8.388 3.160 -6.378 246 2HG2 THR 32 2HG2 THR 32 7.118 2.254 -5.550 247 3HG2 THR 32 3HG2 THR 32 7.033 4.018 -5.644 248 H PHE 33 H PHE 33 3.731 2.609 -8.047 249 HA PHE 33 HA PHE 33 3.589 1.937 -10.893 250 1HB PHE 33 2HB PHE 33 1.418 1.396 -8.884 251 2HB PHE 33 1HB PHE 33 1.283 1.161 -10.613 252 HD1 PHE 33 1HD PHE 33 1.564 -0.987 -11.387 253 HD2 PHE 33 2HD PHE 33 3.548 0.178 -7.819 254 HE1 PHE 33 1HE PHE 33 2.443 -3.261 -11.142 255 HE2 PHE 33 2HE PHE 33 4.456 -2.082 -7.571 256 HZ PHE 33 HZ PHE 33 3.889 -3.827 -9.236 257 H GLU 34 H GLU 34 1.488 2.942 -11.854 258 HA GLU 34 HA GLU 34 1.792 5.712 -11.794 259 1HB GLU 34 2HB GLU 34 -0.240 5.771 -13.199 260 2HB GLU 34 1HB GLU 34 0.932 4.575 -13.737 261 1HG GLU 34 2HG GLU 34 -1.002 3.374 -13.899 262 2HG GLU 34 1HG GLU 34 -0.492 2.956 -12.268 263 H ASN 35 H ASN 35 -0.730 3.746 -10.127 264 HA ASN 35 HA ASN 35 -1.128 5.856 -8.271 265 1HB ASN 35 2HB ASN 35 -2.397 6.452 -10.515 266 2HB ASN 35 1HB ASN 35 -3.625 5.409 -9.804 267 1HD2 ASN 35 1HD2 ASN 35 -1.578 8.199 -9.101 268 2HD2 ASN 35 2HD2 ASN 35 -2.707 8.987 -8.059 269 H GLY 36 H GLY 36 -2.743 3.047 -9.676 270 1HA GLY 36 2HA GLY 36 -2.803 1.655 -7.206 271 2HA GLY 36 1HA GLY 36 -4.350 2.427 -7.483 272 H ASN 37 H ASN 37 -4.722 2.096 -10.174 273 HA ASN 37 HA ASN 37 -5.617 -0.571 -10.283 274 1HB ASN 37 2HB ASN 37 -6.156 1.741 -11.682 275 2HB ASN 37 1HB ASN 37 -5.377 0.720 -12.888 276 1HD2 ASN 37 1HD2 ASN 37 -7.657 0.201 -10.214 277 2HD2 ASN 37 2HD2 ASN 37 -8.811 -0.682 -11.146 278 H GLU 38 H GLU 38 -2.694 0.968 -11.318 279 HA GLU 38 HA GLU 38 -1.793 -0.867 -13.215 280 1HB GLU 38 2HB GLU 38 -0.796 1.399 -11.956 281 2HB GLU 38 1HB GLU 38 0.339 0.137 -11.535 282 1HG GLU 38 2HG GLU 38 -0.422 0.169 -14.355 283 2HG GLU 38 1HG GLU 38 0.422 1.618 -13.806 284 H VAL 39 H VAL 39 -1.092 -0.790 -9.681 285 HA VAL 39 HA VAL 39 0.448 -3.096 -9.580 286 HB VAL 39 HB VAL 39 -1.569 -2.456 -7.432 287 1HG1 VAL 39 1HG1 VAL 39 1.091 -3.196 -6.590 288 2HG1 VAL 39 2HG1 VAL 39 0.403 -4.404 -7.673 289 3HG1 VAL 39 3HG1 VAL 39 -0.459 -3.942 -6.206 290 1HG2 VAL 39 1HG2 VAL 39 0.136 -0.558 -8.400 291 2HG2 VAL 39 2HG2 VAL 39 1.105 -1.294 -7.123 292 3HG2 VAL 39 3HG2 VAL 39 -0.481 -0.621 -6.748 293 H LEU 40 H LEU 40 -3.061 -2.774 -9.291 294 HA LEU 40 HA LEU 40 -3.817 -5.374 -8.856 295 1HB LEU 40 2HB LEU 40 -5.256 -3.567 -10.784 296 2HB LEU 40 1HB LEU 40 -5.944 -4.815 -9.764 297 HG LEU 40 HG LEU 40 -4.804 -2.175 -8.846 298 1HD1 LEU 40 1HD1 LEU 40 -6.914 -1.726 -9.696 299 2HD1 LEU 40 2HD1 LEU 40 -7.219 -1.994 -7.982 300 3HD1 LEU 40 3HD1 LEU 40 -7.571 -3.266 -9.155 301 1HD2 LEU 40 1HD2 LEU 40 -6.066 -4.343 -7.176 302 2HD2 LEU 40 2HD2 LEU 40 -5.385 -2.817 -6.611 303 3HD2 LEU 40 3HD2 LEU 40 -4.328 -4.057 -7.287 304 H ALA 41 H ALA 41 -3.012 -3.864 -11.959 305 HA ALA 41 HA ALA 41 -3.617 -6.127 -13.548 306 1HB ALA 41 1HB ALA 41 -1.613 -4.030 -14.301 307 2HB ALA 41 2HB ALA 41 -3.348 -3.712 -14.315 308 3HB ALA 41 3HB ALA 41 -2.674 -4.966 -15.354 309 H ALA 42 H ALA 42 -0.586 -4.851 -12.299 310 HA ALA 42 HA ALA 42 1.090 -6.872 -13.315 311 1HB ALA 42 1HB ALA 42 2.780 -6.018 -11.866 312 2HB ALA 42 2HB ALA 42 1.583 -5.287 -10.797 313 3HB ALA 42 3HB ALA 42 1.829 -4.640 -12.419 314 H LEU 43 H LEU 43 -0.995 -6.712 -10.560 315 HA LEU 43 HA LEU 43 0.179 -8.777 -9.042 316 1HB LEU 43 2HB LEU 43 -2.444 -7.370 -9.029 317 2HB LEU 43 1HB LEU 43 -2.249 -8.824 -8.067 318 HG LEU 43 HG LEU 43 -0.108 -6.847 -7.722 319 1HD1 LEU 43 1HD1 LEU 43 -1.700 -5.634 -6.064 320 2HD1 LEU 43 2HD1 LEU 43 -2.960 -6.191 -7.167 321 3HD1 LEU 43 3HD1 LEU 43 -1.665 -5.160 -7.752 322 1HD2 LEU 43 1HD2 LEU 43 -1.868 -8.237 -5.724 323 2HD2 LEU 43 2HD2 LEU 43 -0.271 -7.539 -5.464 324 3HD2 LEU 43 3HD2 LEU 43 -0.449 -8.984 -6.463 325 H ALA 44 H ALA 44 -2.031 -8.801 -11.704 326 HA ALA 44 HA ALA 44 -3.357 -11.188 -11.404 327 1HB ALA 44 1HB ALA 44 -2.455 -9.629 -13.762 328 2HB ALA 44 2HB ALA 44 -4.083 -10.087 -13.258 329 3HB ALA 44 3HB ALA 44 -3.033 -11.273 -14.032 330 H SER 45 H SER 45 0.011 -10.733 -11.922 331 HA SER 45 HA SER 45 0.329 -13.616 -12.254 332 1HB SER 45 2HB SER 45 0.934 -12.635 -14.350 333 2HB SER 45 1HB SER 45 1.921 -11.411 -13.552 334 HG SER 45 HG SER 45 3.421 -12.938 -13.054 335 H LYS 46 H LYS 46 0.670 -11.324 -10.010 336 HA LYS 46 HA LYS 46 2.588 -12.812 -8.531 337 1HB LYS 46 2HB LYS 46 3.717 -10.958 -10.227 338 2HB LYS 46 1HB LYS 46 3.611 -10.080 -8.709 339 1HG LYS 46 2HG LYS 46 4.615 -12.647 -8.107 340 2HG LYS 46 1HG LYS 46 5.498 -12.056 -9.514 341 1HD LYS 46 2HD LYS 46 5.696 -9.855 -8.150 342 2HD LYS 46 1HD LYS 46 5.310 -10.880 -6.766 343 1HE LYS 46 2HE LYS 46 7.244 -12.179 -7.049 344 2HE LYS 46 1HE LYS 46 7.506 -11.582 -8.690 345 1HZ LYS 46 1HZ LYS 46 8.355 -9.605 -7.929 346 2HZ LYS 46 2HZ LYS 46 8.924 -10.670 -6.743 347 3HZ LYS 46 3HZ LYS 46 7.573 -9.700 -6.432 348 H THR 47 H THR 47 2.855 -12.031 -6.350 349 HA THR 47 HA THR 47 1.030 -9.924 -5.538 350 HB THR 47 HB THR 47 1.055 -12.703 -4.361 351 HG1 THR 47 1HG THR 47 -1.056 -11.274 -5.592 352 1HG2 THR 47 1HG2 THR 47 -0.781 -10.485 -3.530 353 2HG2 THR 47 2HG2 THR 47 0.727 -10.832 -2.682 354 3HG2 THR 47 3HG2 THR 47 -0.539 -12.058 -2.774 355 HA PRO 48 HA PRO 48 4.819 -9.141 -3.215 356 1HB PRO 48 2HB PRO 48 4.145 -6.666 -2.344 357 2HB PRO 48 1HB PRO 48 4.733 -6.966 -3.985 358 1HG PRO 48 2HG PRO 48 1.927 -6.592 -3.013 359 2HG PRO 48 1HG PRO 48 2.703 -5.950 -4.471 360 1HD PRO 48 2HD PRO 48 1.068 -8.116 -4.495 361 2HD PRO 48 1HD PRO 48 2.394 -7.894 -5.645 362 H ASP 49 H ASP 49 5.269 -8.662 -0.905 363 HA ASP 49 HA ASP 49 3.369 -10.019 0.755 364 1HB ASP 49 2HB ASP 49 6.035 -8.726 1.329 365 2HB ASP 49 1HB ASP 49 5.052 -9.479 2.583 366 H VAL 50 H VAL 50 4.040 -6.710 -0.003 367 HA VAL 50 HA VAL 50 1.917 -5.880 1.828 368 HB VAL 50 HB VAL 50 3.998 -5.561 3.074 369 1HG1 VAL 50 1HG1 VAL 50 5.045 -4.905 0.596 370 2HG1 VAL 50 2HG1 VAL 50 5.877 -4.825 2.151 371 3HG1 VAL 50 3HG1 VAL 50 5.073 -3.393 1.506 372 1HG2 VAL 50 1HG2 VAL 50 3.099 -2.831 2.219 373 2HG2 VAL 50 2HG2 VAL 50 3.590 -3.392 3.820 374 3HG2 VAL 50 3HG2 VAL 50 2.043 -3.902 3.144 375 H LEU 51 H LEU 51 1.229 -3.573 1.375 376 HA LEU 51 HA LEU 51 1.936 -2.525 -1.239 377 1HB LEU 51 2HB LEU 51 0.032 -4.322 -1.362 378 2HB LEU 51 1HB LEU 51 -0.969 -3.026 -0.734 379 HG LEU 51 HG LEU 51 -0.413 -1.639 -2.675 380 1HD1 LEU 51 1HD1 LEU 51 1.430 -2.045 -3.839 381 2HD1 LEU 51 2HD1 LEU 51 0.667 -3.507 -4.477 382 3HD1 LEU 51 3HD1 LEU 51 1.657 -3.592 -3.018 383 1HD2 LEU 51 1HD2 LEU 51 -2.333 -2.615 -3.303 384 2HD2 LEU 51 2HD2 LEU 51 -1.788 -4.223 -2.820 385 3HD2 LEU 51 3HD2 LEU 51 -1.318 -3.566 -4.388 386 H LEU 52 H LEU 52 1.706 -0.367 -1.365 387 HA LEU 52 HA LEU 52 0.259 1.020 0.803 388 1HB LEU 52 2HB LEU 52 2.977 1.038 0.381 389 2HB LEU 52 1HB LEU 52 2.461 2.479 -0.470 390 HG LEU 52 HG LEU 52 1.754 1.948 2.407 391 1HD1 LEU 52 1HD1 LEU 52 3.758 3.984 1.969 392 2HD1 LEU 52 2HD1 LEU 52 4.314 2.399 1.431 393 3HD1 LEU 52 3HD1 LEU 52 3.758 2.622 3.090 394 1HD2 LEU 52 1HD2 LEU 52 0.394 3.671 1.995 395 2HD2 LEU 52 2HD2 LEU 52 1.175 4.035 0.456 396 3HD2 LEU 52 3HD2 LEU 52 1.855 4.655 1.960 397 H SER 53 H SER 53 -1.457 2.113 0.002 398 HA SER 53 HA SER 53 -1.329 3.038 -2.786 399 1HB SER 53 2HB SER 53 -3.572 2.149 -1.036 400 2HB SER 53 1HB SER 53 -3.915 3.315 -2.311 401 HG SER 53 HG SER 53 -2.650 1.680 -3.648 402 H ASP 54 H ASP 54 -1.489 5.107 -3.324 403 HA ASP 54 HA ASP 54 -1.267 7.101 -1.255 404 1HB ASP 54 2HB ASP 54 0.139 7.089 -3.303 405 2HB ASP 54 1HB ASP 54 -1.293 7.464 -4.253 406 H ILE 55 H ILE 55 -3.957 5.714 -2.029 407 HA ILE 55 HA ILE 55 -6.119 6.316 -2.581 408 HB ILE 55 HB ILE 55 -6.157 6.343 -0.249 409 1HG1 ILE 55 2HG1 ILE 55 -7.321 9.035 -0.414 410 2HG1 ILE 55 1HG1 ILE 55 -7.895 7.897 -1.626 411 1HG2 ILE 55 1HG2 ILE 55 -5.520 9.052 0.443 412 2HG2 ILE 55 2HG2 ILE 55 -4.176 8.278 -0.392 413 3HG2 ILE 55 3HG2 ILE 55 -4.857 7.536 1.053 414 1HD1 ILE 55 1HD1 ILE 55 -8.444 8.042 1.224 415 2HD1 ILE 55 2HD1 ILE 55 -7.977 6.426 0.690 416 3HD1 ILE 55 3HD1 ILE 55 -9.347 7.243 -0.065 417 H ARG 56 H ARG 56 -6.005 9.584 -1.453 418 HA ARG 56 HA ARG 56 -6.471 11.546 -2.479 419 1HB ARG 56 2HB ARG 56 -4.078 10.620 -3.455 420 2HB ARG 56 1HB ARG 56 -4.967 11.001 -4.923 421 1HG ARG 56 2HG ARG 56 -5.251 13.264 -4.265 422 2HG ARG 56 1HG ARG 56 -4.660 12.927 -2.636 423 1HD ARG 56 2HD ARG 56 -2.462 12.705 -3.340 424 2HD ARG 56 1HD ARG 56 -2.925 12.398 -5.013 425 HE ARG 56 HE ARG 56 -3.758 14.919 -4.662 426 1HH1 ARG 56 1HH1 ARG 56 -0.726 13.350 -3.938 427 2HH1 ARG 56 2HH1 ARG 56 0.212 14.792 -4.140 428 1HH2 ARG 56 1HH2 ARG 56 -2.526 16.815 -4.929 429 2HH2 ARG 56 2HH2 ARG 56 -0.809 16.758 -4.702 430 H MET 57 H MET 57 -8.499 9.688 -2.942 431 HA MET 57 HA MET 57 -10.240 9.168 -4.303 432 1HB MET 57 2HB MET 57 -10.266 11.755 -3.962 433 2HB MET 57 1HB MET 57 -9.890 11.793 -5.679 434 1HG MET 57 2HG MET 57 -11.929 10.179 -5.873 435 2HG MET 57 1HG MET 57 -12.360 10.850 -4.300 436 1HE MET 57 1HE MET 57 -14.382 11.685 -4.749 437 2HE MET 57 2HE MET 57 -14.854 12.994 -5.830 438 3HE MET 57 3HE MET 57 -13.972 13.352 -4.346 439 HA PRO 58 HA PRO 58 -7.735 8.167 -8.107 440 1HB PRO 58 2HB PRO 58 -7.648 5.479 -7.748 441 2HB PRO 58 1HB PRO 58 -6.430 6.570 -7.083 442 1HG PRO 58 2HG PRO 58 -8.724 5.240 -5.721 443 2HG PRO 58 1HG PRO 58 -7.100 5.583 -5.111 444 1HD PRO 58 2HD PRO 58 -9.343 7.062 -4.532 445 2HD PRO 58 1HD PRO 58 -7.688 7.665 -4.416 446 H GLY 59 H GLY 59 -9.773 5.436 -7.104 447 1HA GLY 59 2HA GLY 59 -11.521 5.986 -9.413 448 2HA GLY 59 1HA GLY 59 -11.205 4.386 -8.755 449 H MET 60 H MET 60 -11.432 5.394 -5.986 450 HA MET 60 HA MET 60 -14.172 6.285 -5.723 451 1HB MET 60 2HB MET 60 -14.427 3.840 -5.985 452 2HB MET 60 1HB MET 60 -13.330 3.596 -4.636 453 1HG MET 60 2HG MET 60 -15.181 3.468 -3.413 454 2HG MET 60 1HG MET 60 -15.165 5.229 -3.509 455 1HE MET 60 1HE MET 60 -17.347 2.910 -3.043 456 2HE MET 60 2HE MET 60 -17.277 1.979 -4.541 457 3HE MET 60 3HE MET 60 -18.688 2.979 -4.187 458 H ASP 61 H ASP 61 -12.491 7.896 -4.966 459 HA ASP 61 HA ASP 61 -11.733 9.177 -3.271 460 1HB ASP 61 2HB ASP 61 -13.678 7.458 -2.035 461 2HB ASP 61 1HB ASP 61 -12.377 7.841 -0.910 462 H GLY 62 H GLY 62 -11.012 5.787 -3.277 463 1HA GLY 62 2HA GLY 62 -8.424 5.625 -3.269 464 2HA GLY 62 1HA GLY 62 -8.640 6.177 -1.617 465 H LEU 63 H LEU 63 -11.137 4.784 -1.285 466 HA LEU 63 HA LEU 63 -10.092 2.303 -0.397 467 1HB LEU 63 2HB LEU 63 -13.016 2.949 -0.593 468 2HB LEU 63 1HB LEU 63 -12.203 1.903 0.558 469 HG LEU 63 HG LEU 63 -11.005 4.224 1.174 470 1HD1 LEU 63 1HD1 LEU 63 -12.990 5.069 -0.579 471 2HD1 LEU 63 2HD1 LEU 63 -12.035 6.066 0.516 472 3HD1 LEU 63 3HD1 LEU 63 -13.605 5.447 1.030 473 1HD2 LEU 63 1HD2 LEU 63 -12.709 2.511 2.396 474 2HD2 LEU 63 2HD2 LEU 63 -13.635 4.010 2.422 475 3HD2 LEU 63 3HD2 LEU 63 -12.028 3.959 3.139 476 H ALA 64 H ALA 64 -11.362 3.407 -3.370 477 HA ALA 64 HA ALA 64 -12.617 1.150 -4.418 478 1HB ALA 64 1HB ALA 64 -12.702 2.510 -6.187 479 2HB ALA 64 2HB ALA 64 -10.983 2.233 -6.468 480 3HB ALA 64 3HB ALA 64 -11.504 3.571 -5.445 481 H LEU 65 H LEU 65 -9.216 1.940 -4.080 482 HA LEU 65 HA LEU 65 -8.124 -0.203 -5.524 483 1HB LEU 65 2HB LEU 65 -7.164 1.718 -3.478 484 2HB LEU 65 1HB LEU 65 -6.200 0.278 -3.727 485 HG LEU 65 HG LEU 65 -7.011 1.989 -6.047 486 1HD1 LEU 65 1HD1 LEU 65 -5.339 3.497 -5.737 487 2HD1 LEU 65 2HD1 LEU 65 -4.350 2.379 -4.796 488 3HD1 LEU 65 3HD1 LEU 65 -5.736 3.172 -4.050 489 1HD2 LEU 65 1HD2 LEU 65 -4.398 0.745 -6.067 490 2HD2 LEU 65 2HD2 LEU 65 -5.723 0.615 -7.224 491 3HD2 LEU 65 3HD2 LEU 65 -5.684 -0.433 -5.807 492 H LEU 66 H LEU 66 -9.107 0.106 -2.148 493 HA LEU 66 HA LEU 66 -8.052 -2.305 -1.191 494 1HB LEU 66 2HB LEU 66 -10.355 -0.572 -0.376 495 2HB LEU 66 1HB LEU 66 -10.133 -2.128 0.395 496 HG LEU 66 HG LEU 66 -9.074 -0.709 1.873 497 1HD1 LEU 66 1HD1 LEU 66 -6.825 -1.391 -0.014 498 2HD1 LEU 66 2HD1 LEU 66 -7.540 -2.506 1.150 499 3HD1 LEU 66 3HD1 LEU 66 -6.698 -1.063 1.714 500 1HD2 LEU 66 1HD2 LEU 66 -7.322 0.982 0.618 501 2HD2 LEU 66 2HD2 LEU 66 -8.931 1.410 1.197 502 3HD2 LEU 66 3HD2 LEU 66 -8.691 0.953 -0.490 503 H LYS 67 H LYS 67 -11.146 -1.532 -2.685 504 HA LYS 67 HA LYS 67 -12.372 -4.026 -2.465 505 1HB LYS 67 2HB LYS 67 -13.211 -1.686 -3.381 506 2HB LYS 67 1HB LYS 67 -12.793 -2.407 -4.930 507 1HG LYS 67 2HG LYS 67 -14.479 -3.946 -3.018 508 2HG LYS 67 1HG LYS 67 -15.202 -2.642 -3.962 509 1HD LYS 67 2HD LYS 67 -13.544 -4.312 -5.628 510 2HD LYS 67 1HD LYS 67 -14.748 -5.281 -4.777 511 1HE LYS 67 2HE LYS 67 -16.473 -3.628 -5.549 512 2HE LYS 67 1HE LYS 67 -15.224 -2.904 -6.562 513 1HZ LYS 67 1HZ LYS 67 -16.563 -4.477 -7.804 514 2HZ LYS 67 2HZ LYS 67 -16.166 -5.714 -6.723 515 3HZ LYS 67 3HZ LYS 67 -14.965 -5.023 -7.693 516 H GLN 68 H GLN 68 -10.244 -2.736 -4.993 517 HA GLN 68 HA GLN 68 -10.376 -5.087 -6.604 518 1HB GLN 68 2HB GLN 68 -8.480 -2.737 -6.583 519 2HB GLN 68 1HB GLN 68 -8.363 -4.057 -7.734 520 1HG GLN 68 2HG GLN 68 -10.629 -2.109 -7.425 521 2HG GLN 68 1HG GLN 68 -9.487 -2.222 -8.763 522 1HE2 GLN 68 1HE2 GLN 68 -9.412 -4.698 -9.530 523 2HE2 GLN 68 2HE2 GLN 68 -10.971 -5.313 -9.956 524 H ILE 69 H ILE 69 -8.163 -3.840 -4.153 525 HA ILE 69 HA ILE 69 -6.131 -5.730 -4.524 526 HB ILE 69 HB ILE 69 -6.874 -4.204 -2.038 527 1HG1 ILE 69 2HG1 ILE 69 -4.449 -3.630 -3.667 528 2HG1 ILE 69 1HG1 ILE 69 -6.008 -3.122 -4.309 529 1HG2 ILE 69 1HG2 ILE 69 -5.172 -6.416 -2.221 530 2HG2 ILE 69 2HG2 ILE 69 -5.296 -5.271 -0.891 531 3HG2 ILE 69 3HG2 ILE 69 -4.110 -5.008 -2.171 532 1HD1 ILE 69 1HD1 ILE 69 -5.822 -1.298 -3.077 533 2HD1 ILE 69 2HD1 ILE 69 -4.397 -1.929 -2.255 534 3HD1 ILE 69 3HD1 ILE 69 -6.011 -2.307 -1.645 535 H LYS 70 H LYS 70 -9.061 -5.822 -2.630 536 HA LYS 70 HA LYS 70 -8.380 -8.231 -1.275 537 1HB LYS 70 2HB LYS 70 -10.612 -8.195 -0.384 538 2HB LYS 70 1HB LYS 70 -9.977 -6.556 -0.360 539 1HG LYS 70 2HG LYS 70 -11.929 -6.010 -1.281 540 2HG LYS 70 1HG LYS 70 -11.203 -6.611 -2.769 541 1HD LYS 70 2HD LYS 70 -12.135 -8.915 -1.744 542 2HD LYS 70 1HD LYS 70 -13.318 -7.784 -1.082 543 1HE LYS 70 2HE LYS 70 -12.870 -7.116 -3.810 544 2HE LYS 70 1HE LYS 70 -13.159 -8.851 -3.710 545 1HZ LYS 70 1HZ LYS 70 -14.919 -6.710 -2.644 546 2HZ LYS 70 2HZ LYS 70 -15.189 -8.367 -2.449 547 3HZ LYS 70 3HZ LYS 70 -15.225 -7.683 -3.995 548 H GLN 71 H GLN 71 -9.876 -7.445 -4.287 549 HA GLN 71 HA GLN 71 -10.957 -10.079 -4.644 550 1HB GLN 71 2HB GLN 71 -12.362 -8.515 -5.589 551 2HB GLN 71 1HB GLN 71 -11.039 -7.522 -6.173 552 1HG GLN 71 2HG GLN 71 -10.977 -10.058 -7.504 553 2HG GLN 71 1HG GLN 71 -12.601 -9.385 -7.594 554 1HE2 GLN 71 1HE2 GLN 71 -9.694 -7.446 -7.388 555 2HE2 GLN 71 2HE2 GLN 71 -9.790 -6.796 -8.986 556 H ARG 72 H ARG 72 -8.163 -8.273 -5.681 557 HA ARG 72 HA ARG 72 -7.359 -10.431 -7.475 558 1HB ARG 72 2HB ARG 72 -6.195 -7.695 -6.983 559 2HB ARG 72 1HB ARG 72 -5.423 -8.894 -8.012 560 1HG ARG 72 2HG ARG 72 -7.788 -8.904 -9.177 561 2HG ARG 72 1HG ARG 72 -7.876 -7.292 -8.460 562 1HD ARG 72 2HD ARG 72 -6.710 -6.552 -10.200 563 2HD ARG 72 1HD ARG 72 -5.328 -7.429 -9.553 564 HE ARG 72 HE ARG 72 -5.820 -9.224 -11.037 565 1HH1 ARG 72 1HH1 ARG 72 -7.789 -6.382 -11.575 566 2HH1 ARG 72 2HH1 ARG 72 -8.200 -6.827 -13.194 567 1HH2 ARG 72 1HH2 ARG 72 -6.369 -9.803 -13.163 568 2HH2 ARG 72 2HH2 ARG 72 -7.398 -8.766 -14.096 569 H HIS 73 H HIS 73 -6.638 -9.216 -4.323 570 HA HIS 73 HA HIS 73 -4.269 -10.957 -4.210 571 1HB HIS 73 2HB HIS 73 -4.844 -8.955 -2.065 572 2HB HIS 73 1HB HIS 73 -3.307 -9.610 -2.602 573 HD1 HIS 73 1HD HIS 73 -2.433 -7.148 -2.655 574 HD2 HIS 73 2HD HIS 73 -5.452 -7.941 -5.372 575 HE1 HIS 73 1HE HIS 73 -2.408 -5.240 -4.274 576 HE2 HIS 73 2HE HIS 73 -4.281 -5.711 -5.874 577 HA PRO 74 HA PRO 74 -6.504 -13.775 -1.602 578 1HB PRO 74 2HB PRO 74 -3.843 -14.364 -0.439 579 2HB PRO 74 1HB PRO 74 -5.002 -15.455 -1.200 580 1HG PRO 74 2HG PRO 74 -2.759 -14.748 -2.455 581 2HG PRO 74 1HG PRO 74 -4.283 -14.941 -3.341 582 1HD PRO 74 2HD PRO 74 -2.909 -12.433 -2.456 583 2HD PRO 74 1HD PRO 74 -3.761 -12.778 -3.976 584 H MET 75 H MET 75 -3.731 -12.194 0.021 585 HA MET 75 HA MET 75 -5.472 -11.024 2.002 586 1HB MET 75 2HB MET 75 -3.567 -13.250 2.694 587 2HB MET 75 1HB MET 75 -4.094 -12.075 3.889 588 1HG MET 75 2HG MET 75 -6.443 -12.730 3.403 589 2HG MET 75 1HG MET 75 -5.819 -14.003 2.356 590 1HE MET 75 1HE MET 75 -7.275 -15.808 3.898 591 2HE MET 75 2HE MET 75 -6.085 -16.779 4.764 592 3HE MET 75 3HE MET 75 -5.769 -16.268 3.107 593 H LEU 76 H LEU 76 -3.690 -9.970 0.056 594 HA LEU 76 HA LEU 76 -1.211 -9.214 1.213 595 1HB LEU 76 2HB LEU 76 -2.250 -9.162 -1.277 596 2HB LEU 76 1HB LEU 76 -2.368 -7.469 -0.843 597 HG LEU 76 HG LEU 76 0.197 -9.012 -0.583 598 1HD1 LEU 76 1HD1 LEU 76 0.028 -7.229 -2.863 599 2HD1 LEU 76 2HD1 LEU 76 -1.112 -8.571 -2.973 600 3HD1 LEU 76 3HD1 LEU 76 0.609 -8.891 -2.764 601 1HD2 LEU 76 1HD2 LEU 76 1.076 -6.635 -0.894 602 2HD2 LEU 76 2HD2 LEU 76 0.307 -7.027 0.644 603 3HD2 LEU 76 3HD2 LEU 76 -0.579 -6.114 -0.575 604 HA PRO 77 HA PRO 77 -2.910 -6.072 3.914 605 1HB PRO 77 2HB PRO 77 -0.107 -5.344 4.398 606 2HB PRO 77 1HB PRO 77 -1.317 -5.960 5.526 607 1HG PRO 77 2HG PRO 77 0.770 -7.455 4.715 608 2HG PRO 77 1HG PRO 77 -0.816 -8.161 5.076 609 1HD PRO 77 2HD PRO 77 0.415 -7.512 2.425 610 2HD PRO 77 1HD PRO 77 -0.529 -8.937 2.913 611 H VAL 78 H VAL 78 -3.680 -4.226 3.172 612 HA VAL 78 HA VAL 78 -2.097 -2.609 1.318 613 HB VAL 78 HB VAL 78 -4.981 -2.147 2.054 614 1HG1 VAL 78 1HG1 VAL 78 -4.921 -1.125 -0.282 615 2HG1 VAL 78 2HG1 VAL 78 -3.166 -1.222 -0.151 616 3HG1 VAL 78 3HG1 VAL 78 -4.083 -0.258 1.003 617 1HG2 VAL 78 1HG2 VAL 78 -4.116 -3.628 -0.404 618 2HG2 VAL 78 2HG2 VAL 78 -5.718 -3.528 0.326 619 3HG2 VAL 78 3HG2 VAL 78 -4.453 -4.478 1.103 620 H ILE 79 H ILE 79 -1.542 -0.525 1.731 621 HA ILE 79 HA ILE 79 -2.255 0.549 4.376 622 HB ILE 79 HB ILE 79 0.427 0.913 3.063 623 1HG1 ILE 79 2HG1 ILE 79 0.467 -0.637 5.504 624 2HG1 ILE 79 1HG1 ILE 79 -0.548 -1.413 4.293 625 1HG2 ILE 79 1HG2 ILE 79 0.911 2.338 4.706 626 2HG2 ILE 79 2HG2 ILE 79 0.231 1.272 5.936 627 3HG2 ILE 79 3HG2 ILE 79 -0.821 2.370 5.042 628 1HD1 ILE 79 1HD1 ILE 79 2.194 -1.587 4.511 629 2HD1 ILE 79 2HD1 ILE 79 1.937 -0.485 3.160 630 3HD1 ILE 79 3HD1 ILE 79 1.211 -2.090 3.138 631 H ILE 80 H ILE 80 -3.519 2.238 4.025 632 HA ILE 80 HA ILE 80 -3.033 3.953 1.696 633 HB ILE 80 HB ILE 80 -5.382 4.255 3.517 634 1HG1 ILE 80 2HG1 ILE 80 -5.349 1.879 2.988 635 2HG1 ILE 80 1HG1 ILE 80 -6.642 2.668 2.090 636 1HG2 ILE 80 1HG2 ILE 80 -4.535 5.628 1.324 637 2HG2 ILE 80 2HG2 ILE 80 -6.194 5.587 1.912 638 3HG2 ILE 80 3HG2 ILE 80 -5.690 4.497 0.621 639 1HD1 ILE 80 1HD1 ILE 80 -5.250 2.693 0.095 640 2HD1 ILE 80 2HD1 ILE 80 -5.458 1.056 0.717 641 3HD1 ILE 80 3HD1 ILE 80 -3.946 1.917 0.994 642 H MET 81 H MET 81 -2.626 6.134 1.880 643 HA MET 81 HA MET 81 -1.378 7.012 4.273 644 1HB MET 81 2HB MET 81 -1.100 9.148 3.149 645 2HB MET 81 1HB MET 81 -0.680 7.825 2.083 646 1HG MET 81 2HG MET 81 -2.883 8.040 1.014 647 2HG MET 81 1HG MET 81 -3.209 9.446 2.026 648 1HE MET 81 1HE MET 81 -1.712 12.091 1.321 649 2HE MET 81 2HE MET 81 -0.046 11.585 1.042 650 3HE MET 81 3HE MET 81 -0.954 10.922 2.401 651 H THR 82 H THR 82 -4.446 8.165 2.736 652 HA THR 82 HA THR 82 -5.320 8.835 5.466 653 HB THR 82 HB THR 82 -6.042 10.567 3.118 654 HG1 THR 82 1HG THR 82 -4.332 11.957 4.009 655 1HG2 THR 82 1HG2 THR 82 -5.919 11.117 6.074 656 2HG2 THR 82 2HG2 THR 82 -7.382 10.878 5.119 657 3HG2 THR 82 3HG2 THR 82 -6.354 12.281 4.821 658 H ALA 83 H ALA 83 -7.565 8.810 5.865 659 HA ALA 83 HA ALA 83 -9.103 7.249 3.900 660 1HB ALA 83 1HB ALA 83 -8.427 6.504 6.453 661 2HB ALA 83 2HB ALA 83 -9.727 5.813 5.484 662 3HB ALA 83 3HB ALA 83 -10.076 7.099 6.638 663 H HIS 84 H HIS 84 -9.171 10.002 3.623 664 HA HIS 84 HA HIS 84 -11.372 11.140 5.083 665 1HB HIS 84 2HB HIS 84 -11.132 13.012 3.389 666 2HB HIS 84 1HB HIS 84 -9.703 12.678 4.361 667 HD1 HIS 84 1HD HIS 84 -11.042 12.327 0.867 668 HD2 HIS 84 2HD HIS 84 -7.475 11.837 2.936 669 HE1 HIS 84 1HE HIS 84 -9.278 12.015 -0.898 670 HE2 HIS 84 2HE HIS 84 -7.143 11.629 0.379 671 H SER 85 H SER 85 -12.535 8.953 4.231 672 HA SER 85 HA SER 85 -14.534 9.899 2.385 673 1HB SER 85 2HB SER 85 -13.329 7.318 1.531 674 2HB SER 85 1HB SER 85 -14.130 8.559 0.568 675 HG SER 85 HG SER 85 -11.519 8.194 0.978 676 H ASP 86 H ASP 86 -15.608 7.384 1.689 677 HA ASP 86 HA ASP 86 -17.116 6.776 4.005 678 1HB ASP 86 2HB ASP 86 -17.441 6.373 1.313 679 2HB ASP 86 1HB ASP 86 -17.100 4.741 1.878 680 H LEU 87 H LEU 87 -15.695 6.136 5.636 681 HA LEU 87 HA LEU 87 -13.623 4.381 5.612 682 1HB LEU 87 2HB LEU 87 -15.231 5.561 7.566 683 2HB LEU 87 1HB LEU 87 -15.290 3.843 7.916 684 HG LEU 87 HG LEU 87 -13.506 5.102 9.133 685 1HD1 LEU 87 1HD1 LEU 87 -12.498 3.141 9.302 686 2HD1 LEU 87 2HD1 LEU 87 -11.806 3.312 7.690 687 3HD1 LEU 87 3HD1 LEU 87 -13.402 2.591 7.893 688 1HD2 LEU 87 1HD2 LEU 87 -13.024 6.328 6.774 689 2HD2 LEU 87 2HD2 LEU 87 -11.755 5.106 6.779 690 3HD2 LEU 87 3HD2 LEU 87 -11.875 6.256 8.108 691 H ASP 88 H ASP 88 -16.919 3.570 5.063 692 HA ASP 88 HA ASP 88 -17.181 0.986 5.888 693 1HB ASP 88 2HB ASP 88 -18.281 2.569 3.650 694 2HB ASP 88 1HB ASP 88 -18.429 0.822 3.494 695 H ALA 89 H ALA 89 -15.828 1.949 2.703 696 HA ALA 89 HA ALA 89 -15.158 -0.695 1.966 697 1HB ALA 89 1HB ALA 89 -15.347 0.775 0.167 698 2HB ALA 89 2HB ALA 89 -13.609 0.503 0.301 699 3HB ALA 89 3HB ALA 89 -14.322 1.990 0.931 700 H ALA 90 H ALA 90 -13.608 1.585 4.017 701 HA ALA 90 HA ALA 90 -10.966 0.479 3.793 702 1HB ALA 90 1HB ALA 90 -10.470 1.883 5.787 703 2HB ALA 90 2HB ALA 90 -12.172 2.354 5.829 704 3HB ALA 90 3HB ALA 90 -11.170 2.783 4.441 705 H VAL 91 H VAL 91 -13.647 0.193 6.093 706 HA VAL 91 HA VAL 91 -12.275 -1.449 7.928 707 HB VAL 91 HB VAL 91 -15.251 -1.531 7.470 708 1HG1 VAL 91 1HG1 VAL 91 -14.863 -1.736 10.130 709 2HG1 VAL 91 2HG1 VAL 91 -13.376 -2.479 9.539 710 3HG1 VAL 91 3HG1 VAL 91 -14.942 -3.122 9.043 711 1HG2 VAL 91 1HG2 VAL 91 -14.109 0.813 7.796 712 2HG2 VAL 91 2HG2 VAL 91 -14.004 0.295 9.476 713 3HG2 VAL 91 3HG2 VAL 91 -15.575 0.401 8.682 714 H SER 92 H SER 92 -14.274 -2.146 5.112 715 HA SER 92 HA SER 92 -14.369 -4.942 5.383 716 1HB SER 92 2HB SER 92 -14.565 -3.105 2.997 717 2HB SER 92 1HB SER 92 -14.667 -4.857 2.827 718 HG SER 92 HG SER 92 -16.695 -4.556 3.275 719 H ALA 93 H ALA 93 -11.997 -2.759 4.005 720 HA ALA 93 HA ALA 93 -10.391 -4.565 2.647 721 1HB ALA 93 1HB ALA 93 -10.288 -1.884 3.181 722 2HB ALA 93 2HB ALA 93 -9.056 -2.805 2.321 723 3HB ALA 93 3HB ALA 93 -8.885 -2.505 4.051 724 H TYR 94 H TYR 94 -10.310 -3.590 6.024 725 HA TYR 94 HA TYR 94 -8.066 -5.010 6.841 726 1HB TYR 94 2HB TYR 94 -10.546 -4.648 8.526 727 2HB TYR 94 1HB TYR 94 -8.885 -4.812 9.084 728 HD1 TYR 94 1HD TYR 94 -11.082 -2.568 9.523 729 HD2 TYR 94 2HD TYR 94 -7.622 -2.907 7.072 730 HE1 TYR 94 1HE TYR 94 -10.856 -0.118 9.513 731 HE2 TYR 94 2HE TYR 94 -7.388 -0.459 7.054 732 HH TYR 94 HH TYR 94 -9.853 1.631 8.222 733 H GLN 95 H GLN 95 -11.213 -6.112 5.998 734 HA GLN 95 HA GLN 95 -11.075 -8.649 7.303 735 1HB GLN 95 2HB GLN 95 -13.194 -8.931 6.575 736 2HB GLN 95 1HB GLN 95 -13.093 -7.234 6.140 737 1HG GLN 95 2HG GLN 95 -12.114 -8.379 3.894 738 2HG GLN 95 1HG GLN 95 -13.229 -9.625 4.436 739 1HE2 GLN 95 1HE2 GLN 95 -13.097 -7.458 2.248 740 2HE2 GLN 95 2HE2 GLN 95 -14.681 -6.764 2.293 741 H GLN 96 H GLN 96 -10.325 -7.475 4.071 742 HA GLN 96 HA GLN 96 -9.656 -10.042 3.030 743 1HB GLN 96 2HB GLN 96 -9.009 -8.883 1.038 744 2HB GLN 96 1HB GLN 96 -10.471 -8.118 1.655 745 1HG GLN 96 2HG GLN 96 -9.462 -6.155 1.820 746 2HG GLN 96 1HG GLN 96 -8.128 -6.851 2.738 747 1HE2 GLN 96 1HE2 GLN 96 -8.594 -4.968 0.284 748 2HE2 GLN 96 2HE2 GLN 96 -7.347 -5.470 -0.797 749 H GLY 97 H GLY 97 -7.983 -7.733 4.937 750 1HA GLY 97 2HA GLY 97 -5.898 -8.895 5.864 751 2HA GLY 97 1HA GLY 97 -5.397 -8.928 4.182 752 H ALA 98 H ALA 98 -6.948 -6.108 4.259 753 HA ALA 98 HA ALA 98 -4.822 -4.447 3.983 754 1HB ALA 98 1HB ALA 98 -6.996 -3.634 3.486 755 2HB ALA 98 2HB ALA 98 -6.317 -2.583 4.730 756 3HB ALA 98 3HB ALA 98 -7.507 -3.806 5.165 757 H PHE 99 H PHE 99 -3.514 -3.149 5.280 758 HA PHE 99 HA PHE 99 -3.123 -4.130 7.946 759 1HB PHE 99 2HB PHE 99 -1.224 -3.561 6.440 760 2HB PHE 99 1HB PHE 99 -1.693 -1.868 6.541 761 HD1 PHE 99 1HD PHE 99 -1.101 -4.675 8.941 762 HD2 PHE 99 2HD PHE 99 -0.397 -0.598 7.934 763 HE1 PHE 99 1HE PHE 99 0.284 -4.418 10.961 764 HE2 PHE 99 2HE PHE 99 0.988 -0.336 9.951 765 HZ PHE 99 HZ PHE 99 1.331 -2.246 11.466 766 H ASP 100 H ASP 100 -3.802 -0.891 6.564 767 HA ASP 100 HA ASP 100 -5.820 -0.120 8.236 768 1HB ASP 100 2HB ASP 100 -3.391 -0.327 9.743 769 2HB ASP 100 1HB ASP 100 -3.861 1.366 9.670 770 H TYR 101 H TYR 101 -5.348 2.480 8.908 771 HA TYR 101 HA TYR 101 -4.526 3.720 6.364 772 1HB TYR 101 2HB TYR 101 -6.939 4.148 8.054 773 2HB TYR 101 1HB TYR 101 -6.216 5.578 7.327 774 HD1 TYR 101 1HD TYR 101 -7.625 2.229 6.505 775 HD2 TYR 101 2HD TYR 101 -6.590 6.105 5.093 776 HE1 TYR 101 1HE TYR 101 -8.774 1.760 4.381 777 HE2 TYR 101 2HE TYR 101 -7.741 5.652 2.968 778 HH TYR 101 HH TYR 101 -8.915 4.177 1.779 779 H LEU 102 H LEU 102 -3.514 5.809 6.520 780 HA LEU 102 HA LEU 102 -2.086 6.152 9.057 781 1HB LEU 102 2HB LEU 102 -0.905 5.747 6.867 782 2HB LEU 102 1HB LEU 102 -1.452 7.323 6.355 783 HG LEU 102 HG LEU 102 -0.188 8.298 8.301 784 1HD1 LEU 102 1HD1 LEU 102 1.162 7.055 9.638 785 2HD1 LEU 102 2HD1 LEU 102 1.444 5.830 8.401 786 3HD1 LEU 102 3HD1 LEU 102 -0.069 5.833 9.308 787 1HD2 LEU 102 1HD2 LEU 102 0.648 7.426 5.769 788 2HD2 LEU 102 2HD2 LEU 102 1.975 7.083 6.880 789 3HD2 LEU 102 3HD2 LEU 102 1.334 8.721 6.752 790 HA PRO 103 HA PRO 103 -4.219 9.981 9.766 791 1HB PRO 103 2HB PRO 103 -2.684 11.014 11.715 792 2HB PRO 103 1HB PRO 103 -3.681 9.579 11.973 793 1HG PRO 103 2HG PRO 103 -0.747 9.785 11.461 794 2HG PRO 103 1HG PRO 103 -1.619 8.719 12.575 795 1HD PRO 103 2HD PRO 103 -0.690 7.965 10.098 796 2HD PRO 103 1HD PRO 103 -2.017 7.165 10.954 797 H LYS 104 H LYS 104 -3.107 12.369 10.575 798 HA LYS 104 HA LYS 104 -2.670 13.790 8.331 799 1HB LYS 104 2HB LYS 104 -2.398 14.257 11.117 800 2HB LYS 104 1HB LYS 104 -1.002 14.972 10.321 801 1HG LYS 104 2HG LYS 104 -2.240 16.717 9.768 802 2HG LYS 104 1HG LYS 104 -3.253 15.667 8.776 803 1HD LYS 104 2HD LYS 104 -4.940 15.729 10.247 804 2HD LYS 104 1HD LYS 104 -3.863 15.480 11.622 805 1HE LYS 104 2HE LYS 104 -4.146 17.610 12.178 806 2HE LYS 104 1HE LYS 104 -3.353 18.079 10.678 807 1HZ LYS 104 1HZ LYS 104 -5.939 17.430 9.981 808 2HZ LYS 104 2HZ LYS 104 -5.274 18.982 10.081 809 3HZ LYS 104 3HZ LYS 104 -6.083 18.325 11.412 810 HA PRO 105 HA PRO 105 2.189 13.498 8.693 811 1HB PRO 105 2HB PRO 105 3.061 11.152 9.862 812 2HB PRO 105 1HB PRO 105 2.997 12.720 10.673 813 1HG PRO 105 2HG PRO 105 1.053 10.450 10.776 814 2HG PRO 105 1HG PRO 105 1.618 11.504 12.087 815 1HD PRO 105 2HD PRO 105 -0.781 11.857 10.952 816 2HD PRO 105 1HD PRO 105 0.207 13.241 11.464 817 H PHE 106 H PHE 106 3.564 12.380 7.216 818 HA PHE 106 HA PHE 106 2.714 9.881 6.065 819 1HB PHE 106 2HB PHE 106 2.513 12.438 4.453 820 2HB PHE 106 1HB PHE 106 2.475 10.822 3.749 821 HD1 PHE 106 1HD PHE 106 0.745 9.197 4.958 822 HD2 PHE 106 2HD PHE 106 0.510 13.449 4.837 823 HE1 PHE 106 1HE PHE 106 -1.645 9.089 5.458 824 HE2 PHE 106 2HE PHE 106 -1.902 13.335 5.308 825 HZ PHE 106 HZ PHE 106 -2.984 11.147 5.630 826 H ASP 107 H ASP 107 4.280 11.884 3.790 827 HA ASP 107 HA ASP 107 6.337 11.666 2.837 828 1HB ASP 107 2HB ASP 107 8.166 12.387 4.246 829 2HB ASP 107 1HB ASP 107 6.727 13.311 4.661 830 H ILE 108 H ILE 108 8.640 10.602 3.270 831 HA ILE 108 HA ILE 108 8.277 7.852 3.057 832 HB ILE 108 HB ILE 108 10.090 8.909 1.978 833 1HG1 ILE 108 2HG1 ILE 108 12.002 7.568 3.477 834 2HG1 ILE 108 1HG1 ILE 108 10.516 6.681 3.765 835 1HG2 ILE 108 1HG2 ILE 108 11.682 10.186 2.943 836 2HG2 ILE 108 2HG2 ILE 108 11.472 9.421 4.519 837 3HG2 ILE 108 3HG2 ILE 108 10.264 10.545 3.917 838 1HD1 ILE 108 1HD1 ILE 108 10.936 7.371 0.971 839 2HD1 ILE 108 2HD1 ILE 108 10.498 5.831 1.715 840 3HD1 ILE 108 3HD1 ILE 108 12.189 6.327 1.651 841 H ASP 109 H ASP 109 9.826 9.689 5.558 842 HA ASP 109 HA ASP 109 10.565 7.686 7.263 843 1HB ASP 109 2HB ASP 109 9.882 10.545 7.635 844 2HB ASP 109 1HB ASP 109 9.894 9.556 9.094 845 H GLU 110 H GLU 110 7.407 9.385 7.422 846 HA GLU 110 HA GLU 110 6.465 7.543 9.384 847 1HB GLU 110 2HB GLU 110 4.886 9.628 7.897 848 2HB GLU 110 1HB GLU 110 4.417 8.817 9.380 849 1HG GLU 110 2HG GLU 110 6.984 10.235 9.482 850 2HG GLU 110 1HG GLU 110 5.560 11.252 9.267 851 H ALA 111 H ALA 111 6.214 7.819 5.915 852 HA ALA 111 HA ALA 111 3.968 6.049 5.743 853 1HB ALA 111 1HB ALA 111 5.884 6.971 3.607 854 2HB ALA 111 2HB ALA 111 4.296 7.658 3.977 855 3HB ALA 111 3HB ALA 111 4.422 6.023 3.320 856 H VAL 112 H VAL 112 7.429 5.708 4.922 857 HA VAL 112 HA VAL 112 7.352 2.954 4.418 858 HB VAL 112 HB VAL 112 9.667 4.520 5.551 859 1HG1 VAL 112 1HG1 VAL 112 10.287 2.305 3.786 860 2HG1 VAL 112 2HG1 VAL 112 9.380 1.780 5.203 861 3HG1 VAL 112 3HG1 VAL 112 10.896 2.661 5.403 862 1HG2 VAL 112 1HG2 VAL 112 9.043 5.589 3.542 863 2HG2 VAL 112 2HG2 VAL 112 8.739 4.054 2.733 864 3HG2 VAL 112 3HG2 VAL 112 10.390 4.532 3.124 865 H ALA 113 H ALA 113 7.500 4.785 7.350 866 HA ALA 113 HA ALA 113 8.338 2.785 9.131 867 1HB ALA 113 1HB ALA 113 7.721 4.228 10.821 868 2HB ALA 113 2HB ALA 113 6.324 4.828 9.929 869 3HB ALA 113 3HB ALA 113 7.945 5.342 9.475 870 H LEU 114 H LEU 114 5.130 3.826 8.097 871 HA LEU 114 HA LEU 114 3.729 1.951 9.674 872 1HB LEU 114 2HB LEU 114 2.727 4.042 8.941 873 2HB LEU 114 1HB LEU 114 2.840 3.525 7.269 874 HG LEU 114 HG LEU 114 1.329 1.565 7.966 875 1HD1 LEU 114 1HD1 LEU 114 -0.174 2.183 9.885 876 2HD1 LEU 114 2HD1 LEU 114 1.024 3.398 10.331 877 3HD1 LEU 114 3HD1 LEU 114 1.460 1.690 10.328 878 1HD2 LEU 114 1HD2 LEU 114 -0.499 2.735 7.240 879 2HD2 LEU 114 2HD2 LEU 114 0.790 3.831 6.738 880 3HD2 LEU 114 3HD2 LEU 114 -0.118 4.155 8.216 881 H VAL 115 H VAL 115 5.146 1.800 6.522 882 HA VAL 115 HA VAL 115 3.606 -0.494 5.723 883 HB VAL 115 HB VAL 115 4.630 1.199 4.115 884 1HG1 VAL 115 1HG1 VAL 115 7.077 -0.498 4.592 885 2HG1 VAL 115 2HG1 VAL 115 6.887 1.197 5.024 886 3HG1 VAL 115 3HG1 VAL 115 6.892 0.720 3.329 887 1HG2 VAL 115 1HG2 VAL 115 4.023 -1.529 3.865 888 2HG2 VAL 115 2HG2 VAL 115 5.497 -1.271 2.932 889 3HG2 VAL 115 3HG2 VAL 115 4.057 -0.312 2.591 890 H GLU 116 H GLU 116 6.835 0.079 6.996 891 HA GLU 116 HA GLU 116 7.752 -2.580 6.722 892 1HB GLU 116 2HB GLU 116 8.637 -0.273 8.446 893 2HB GLU 116 1HB GLU 116 9.433 -1.842 8.504 894 1HG GLU 116 2HG GLU 116 9.937 -1.670 6.116 895 2HG GLU 116 1HG GLU 116 9.162 -0.087 6.075 896 H ARG 117 H ARG 117 6.240 -0.843 9.433 897 HA ARG 117 HA ARG 117 6.467 -2.909 11.305 898 1HB ARG 117 2HB ARG 117 4.756 -1.773 12.586 899 2HB ARG 117 1HB ARG 117 5.871 -0.600 11.909 900 1HG ARG 117 2HG ARG 117 4.196 -0.228 10.071 901 2HG ARG 117 1HG ARG 117 3.070 -1.208 11.013 902 1HD ARG 117 2HD ARG 117 4.429 0.944 12.496 903 2HD ARG 117 1HD ARG 117 3.317 1.481 11.242 904 HE ARG 117 HE ARG 117 2.183 -0.510 12.961 905 1HH1 ARG 117 1HH1 ARG 117 2.848 2.897 12.602 906 2HH1 ARG 117 2HH1 ARG 117 1.560 3.389 13.650 907 1HH2 ARG 117 1HH2 ARG 117 0.479 0.140 14.344 908 2HH2 ARG 117 2HH2 ARG 117 0.217 1.827 14.638 909 H ALA 118 H ALA 118 4.385 -2.550 8.594 910 HA ALA 118 HA ALA 118 2.338 -4.337 9.444 911 1HB ALA 118 1HB ALA 118 1.334 -3.885 7.468 912 2HB ALA 118 2HB ALA 118 2.832 -4.036 6.549 913 3HB ALA 118 3HB ALA 118 2.490 -2.553 7.439 914 H ILE 119 H ILE 119 5.132 -4.667 7.256 915 HA ILE 119 HA ILE 119 4.755 -7.435 6.789 916 HB ILE 119 HB ILE 119 7.357 -5.944 6.547 917 1HG1 ILE 119 2HG1 ILE 119 5.625 -6.201 4.163 918 2HG1 ILE 119 1HG1 ILE 119 5.094 -5.037 5.373 919 1HG2 ILE 119 1HG2 ILE 119 7.717 -8.237 6.206 920 2HG2 ILE 119 2HG2 ILE 119 7.609 -7.537 4.591 921 3HG2 ILE 119 3HG2 ILE 119 6.235 -8.416 5.266 922 1HD1 ILE 119 1HD1 ILE 119 7.339 -4.001 5.272 923 2HD1 ILE 119 2HD1 ILE 119 6.432 -3.906 3.760 924 3HD1 ILE 119 3HD1 ILE 119 7.731 -5.090 3.940 925 H SER 120 H SER 120 6.537 -5.556 9.100 926 HA SER 120 HA SER 120 8.172 -7.578 10.167 927 1HB SER 120 2HB SER 120 8.309 -5.029 10.503 928 2HB SER 120 1HB SER 120 7.106 -5.260 11.771 929 HG SER 120 HG SER 120 9.077 -5.400 12.748 930 H HIS 121 H HIS 121 4.904 -6.512 10.949 931 HA HIS 121 HA HIS 121 4.566 -7.995 13.305 932 1HB HIS 121 2HB HIS 121 2.717 -6.759 11.312 933 2HB HIS 121 1HB HIS 121 2.051 -7.869 12.508 934 HD1 HIS 121 1HD HIS 121 4.815 -6.086 13.978 935 HD2 HIS 121 2HD HIS 121 0.790 -5.299 13.309 936 HE1 HIS 121 1HE HIS 121 4.237 -4.186 15.521 937 HE2 HIS 121 2HE HIS 121 1.775 -3.785 15.161 938 H TYR 122 H TYR 122 4.377 -8.881 9.963 939 HA TYR 122 HA TYR 122 3.037 -11.369 10.384 940 1HB TYR 122 2HB TYR 122 4.414 -10.077 8.057 941 2HB TYR 122 1HB TYR 122 3.980 -11.784 7.985 942 HD1 TYR 122 1HD TYR 122 2.862 -8.497 7.378 943 HD2 TYR 122 2HD TYR 122 1.490 -12.331 8.604 944 HE1 TYR 122 1HE TYR 122 0.575 -7.881 6.720 945 HE2 TYR 122 2HE TYR 122 -0.804 -11.729 7.940 946 HH TYR 122 HH TYR 122 -1.808 -9.961 6.173 947 H GLN 123 H GLN 123 6.399 -10.506 9.556 948 HA GLN 123 HA GLN 123 7.339 -13.176 9.916 949 1HB GLN 123 2HB GLN 123 8.308 -10.992 8.612 950 2HB GLN 123 1HB GLN 123 9.315 -10.998 10.052 951 1HG GLN 123 2HG GLN 123 10.589 -12.556 9.151 952 2HG GLN 123 1HG GLN 123 9.210 -13.653 9.100 953 1HE2 GLN 123 1HE2 GLN 123 9.596 -14.617 7.180 954 2HE2 GLN 123 2HE2 GLN 123 9.604 -13.789 5.665 955 H GLU 124 H GLU 124 9.272 -13.555 11.417 956 HA GLU 124 HA GLU 124 10.048 -13.817 13.537 957 1HB GLU 124 2HB GLU 124 9.060 -10.991 13.943 958 2HB GLU 124 1HB GLU 124 10.236 -11.836 14.939 959 1HG GLU 124 2HG GLU 124 10.783 -11.511 12.033 960 2HG GLU 124 1HG GLU 124 10.988 -10.126 13.106 Start of MODEL 23 1 1H MET 1 1HT MET 1 12.273 -16.520 7.695 2 2H MET 1 2HT MET 1 13.985 -16.630 7.719 3 3H MET 1 3HT MET 1 13.092 -17.329 6.430 4 HA MET 1 HA MET 1 12.740 -14.501 6.936 5 1HB MET 1 2HB MET 1 15.310 -15.707 6.587 6 2HB MET 1 1HB MET 1 14.913 -14.822 5.120 7 1HG MET 1 2HG MET 1 14.846 -12.790 6.199 8 2HG MET 1 1HG MET 1 14.544 -13.519 7.776 9 1HE MET 1 1HE MET 1 17.934 -11.638 8.192 10 2HE MET 1 2HE MET 1 16.184 -11.430 8.120 11 3HE MET 1 3HE MET 1 17.154 -11.240 6.660 12 H GLN 2 H GLN 2 11.856 -13.518 5.153 13 HA GLN 2 HA GLN 2 11.219 -15.297 2.892 14 1HB GLN 2 2HB GLN 2 9.397 -14.211 4.487 15 2HB GLN 2 1HB GLN 2 9.628 -12.830 3.423 16 1HG GLN 2 2HG GLN 2 8.280 -13.743 1.933 17 2HG GLN 2 1HG GLN 2 9.358 -15.131 1.796 18 1HE2 GLN 2 1HE2 GLN 2 6.683 -15.440 1.421 19 2HE2 GLN 2 2HE2 GLN 2 5.999 -16.335 2.731 20 H ARG 3 H ARG 3 10.608 -13.898 0.870 21 HA ARG 3 HA ARG 3 12.973 -12.610 0.037 22 1HB ARG 3 2HB ARG 3 11.510 -13.792 -1.532 23 2HB ARG 3 1HB ARG 3 10.232 -12.620 -1.235 24 1HG ARG 3 2HG ARG 3 11.019 -11.602 -3.059 25 2HG ARG 3 1HG ARG 3 12.288 -11.003 -1.992 26 1HD ARG 3 2HD ARG 3 13.287 -13.431 -2.655 27 2HD ARG 3 1HD ARG 3 12.404 -13.025 -4.126 28 HE ARG 3 HE ARG 3 14.078 -10.895 -3.174 29 1HH1 ARG 3 1HH1 ARG 3 13.982 -13.806 -5.096 30 2HH1 ARG 3 2HH1 ARG 3 15.347 -13.362 -6.065 31 1HH2 ARG 3 1HH2 ARG 3 15.875 -10.308 -4.444 32 2HH2 ARG 3 2HH2 ARG 3 16.422 -11.376 -5.695 33 H GLY 4 H GLY 4 10.030 -11.471 1.447 34 1HA GLY 4 2HA GLY 4 9.330 -9.383 2.099 35 2HA GLY 4 1HA GLY 4 11.039 -8.976 2.176 36 H ILE 5 H ILE 5 8.192 -9.015 0.138 37 HA ILE 5 HA ILE 5 9.538 -7.139 -1.694 38 HB ILE 5 HB ILE 5 7.153 -8.862 -2.355 39 1HG1 ILE 5 2HG1 ILE 5 9.213 -9.855 -3.844 40 2HG1 ILE 5 1HG1 ILE 5 10.038 -9.457 -2.340 41 1HG2 ILE 5 1HG2 ILE 5 9.021 -7.613 -4.324 42 2HG2 ILE 5 2HG2 ILE 5 7.726 -6.659 -3.601 43 3HG2 ILE 5 3HG2 ILE 5 7.341 -8.108 -4.530 44 1HD1 ILE 5 1HD1 ILE 5 8.991 -11.814 -2.696 45 2HD1 ILE 5 2HD1 ILE 5 7.496 -10.999 -2.237 46 3HD1 ILE 5 3HD1 ILE 5 8.869 -11.010 -1.132 47 H VAL 6 H VAL 6 8.875 -5.108 -1.486 48 HA VAL 6 HA VAL 6 6.159 -4.600 -0.474 49 HB VAL 6 HB VAL 6 8.188 -3.566 0.705 50 1HG1 VAL 6 1HG1 VAL 6 9.322 -1.792 -0.266 51 2HG1 VAL 6 2HG1 VAL 6 8.086 -1.515 -1.476 52 3HG1 VAL 6 3HG1 VAL 6 9.156 -2.903 -1.607 53 1HG2 VAL 6 1HG2 VAL 6 5.891 -2.821 1.076 54 2HG2 VAL 6 2HG2 VAL 6 6.002 -1.755 -0.321 55 3HG2 VAL 6 3HG2 VAL 6 7.005 -1.456 1.098 56 H TRP 7 H TRP 7 4.674 -3.723 -1.764 57 HA TRP 7 HA TRP 7 5.587 -2.576 -4.313 58 1HB TRP 7 2HB TRP 7 3.269 -4.353 -3.666 59 2HB TRP 7 1HB TRP 7 3.174 -3.267 -5.050 60 HD1 TRP 7 HD1 TRP 7 6.642 -4.467 -4.532 61 HE1 TRP 7 1HE TRP 7 7.240 -6.289 -6.227 62 HE3 TRP 7 3HE TRP 7 1.960 -5.449 -6.332 63 HZ2 TRP 7 2HZ TRP 7 5.907 -7.944 -8.075 64 HZ3 TRP 7 3HZ TRP 7 1.713 -7.178 -8.066 65 HH2 TRP 7 HH2 TRP 7 3.652 -8.400 -8.916 66 H VAL 8 H VAL 8 5.026 -0.555 -4.745 67 HA VAL 8 HA VAL 8 3.159 0.758 -2.886 68 HB VAL 8 HB VAL 8 5.126 2.334 -4.475 69 1HG1 VAL 8 1HG1 VAL 8 3.299 3.242 -2.928 70 2HG1 VAL 8 2HG1 VAL 8 4.929 3.893 -2.751 71 3HG1 VAL 8 3HG1 VAL 8 4.331 2.691 -1.607 72 1HG2 VAL 8 1HG2 VAL 8 6.908 1.278 -3.643 73 2HG2 VAL 8 2HG2 VAL 8 5.905 0.255 -2.617 74 3HG2 VAL 8 3HG2 VAL 8 6.413 1.842 -2.048 75 H VAL 9 H VAL 9 1.474 1.900 -3.665 76 HA VAL 9 HA VAL 9 1.306 2.211 -6.587 77 HB VAL 9 HB VAL 9 -1.324 2.175 -5.452 78 1HG1 VAL 9 1HG1 VAL 9 -1.568 0.268 -7.051 79 2HG1 VAL 9 2HG1 VAL 9 0.167 0.348 -7.318 80 3HG1 VAL 9 3HG1 VAL 9 -0.844 1.713 -7.766 81 1HG2 VAL 9 1HG2 VAL 9 -1.245 -0.332 -4.854 82 2HG2 VAL 9 2HG2 VAL 9 -0.703 0.825 -3.642 83 3HG2 VAL 9 3HG2 VAL 9 0.480 -0.072 -4.593 84 H ASP 10 H ASP 10 1.682 4.287 -6.970 85 HA ASP 10 HA ASP 10 -0.063 6.311 -5.874 86 1HB ASP 10 2HB ASP 10 1.882 7.675 -4.999 87 2HB ASP 10 1HB ASP 10 1.505 6.232 -4.062 88 H ASP 11 H ASP 11 1.570 8.543 -6.493 89 HA ASP 11 HA ASP 11 1.119 8.749 -9.263 90 1HB ASP 11 2HB ASP 11 2.636 10.498 -7.332 91 2HB ASP 11 1HB ASP 11 2.426 10.912 -9.030 92 H ASP 12 H ASP 12 3.583 7.103 -7.773 93 HA ASP 12 HA ASP 12 5.498 6.166 -8.563 94 1HB ASP 12 2HB ASP 12 3.901 6.476 -10.785 95 2HB ASP 12 1HB ASP 12 5.383 7.288 -11.274 96 H SER 13 H SER 13 7.165 7.371 -10.727 97 HA SER 13 HA SER 13 9.126 8.534 -10.624 98 1HB SER 13 2HB SER 13 8.708 10.803 -11.236 99 2HB SER 13 1HB SER 13 7.401 9.798 -11.872 100 HG SER 13 HG SER 13 6.021 10.658 -10.467 101 H SER 14 H SER 14 7.705 11.135 -8.847 102 HA SER 14 HA SER 14 9.806 11.441 -7.087 103 1HB SER 14 2HB SER 14 7.981 13.106 -7.568 104 2HB SER 14 1HB SER 14 6.940 12.193 -6.478 105 HG SER 14 HG SER 14 8.766 12.522 -4.921 106 H ILE 15 H ILE 15 6.628 9.992 -6.274 107 HA ILE 15 HA ILE 15 7.387 9.175 -3.705 108 HB ILE 15 HB ILE 15 5.335 7.752 -5.384 109 1HG1 ILE 15 2HG1 ILE 15 4.982 10.217 -5.470 110 2HG1 ILE 15 1HG1 ILE 15 3.693 9.374 -4.621 111 1HG2 ILE 15 1HG2 ILE 15 5.805 6.635 -3.323 112 2HG2 ILE 15 2HG2 ILE 15 4.251 7.451 -3.155 113 3HG2 ILE 15 3HG2 ILE 15 5.695 8.144 -2.419 114 1HD1 ILE 15 1HD1 ILE 15 4.143 10.382 -2.675 115 2HD1 ILE 15 2HD1 ILE 15 4.922 11.584 -3.707 116 3HD1 ILE 15 3HD1 ILE 15 5.888 10.330 -2.927 117 H ARG 16 H ARG 16 8.002 7.779 -6.799 118 HA ARG 16 HA ARG 16 8.547 5.126 -5.913 119 1HB ARG 16 2HB ARG 16 8.023 5.555 -8.243 120 2HB ARG 16 1HB ARG 16 9.432 6.596 -8.399 121 1HG ARG 16 2HG ARG 16 10.663 4.373 -7.608 122 2HG ARG 16 1HG ARG 16 9.244 3.644 -8.353 123 1HD ARG 16 2HD ARG 16 10.466 5.770 -9.949 124 2HD ARG 16 1HD ARG 16 11.523 4.386 -9.671 125 HE ARG 16 HE ARG 16 9.164 3.271 -10.443 126 1HH1 ARG 16 1HH1 ARG 16 11.298 5.660 -11.828 127 2HH1 ARG 16 2HH1 ARG 16 10.885 5.263 -13.462 128 1HH2 ARG 16 1HH2 ARG 16 8.620 2.747 -12.589 129 2HH2 ARG 16 2HH2 ARG 16 9.365 3.611 -13.894 130 H TRP 17 H TRP 17 10.712 7.800 -6.856 131 HA TRP 17 HA TRP 17 13.102 6.516 -6.203 132 1HB TRP 17 2HB TRP 17 12.940 8.562 -7.586 133 2HB TRP 17 1HB TRP 17 12.553 9.484 -6.136 134 HD1 TRP 17 HD1 TRP 17 15.470 7.790 -7.915 135 HE1 TRP 17 1HE TRP 17 17.667 8.528 -6.794 136 HE3 TRP 17 3HE TRP 17 13.530 10.294 -3.908 137 HZ2 TRP 17 2HZ TRP 17 18.470 9.982 -4.512 138 HZ3 TRP 17 3HZ TRP 17 15.080 11.331 -2.300 139 HH2 TRP 17 HH2 TRP 17 17.501 11.178 -2.597 140 H VAL 18 H VAL 18 11.064 8.650 -4.236 141 HA VAL 18 HA VAL 18 12.799 8.789 -2.039 142 HB VAL 18 HB VAL 18 9.811 8.968 -1.783 143 1HG1 VAL 18 1HG1 VAL 18 11.684 9.142 0.116 144 2HG1 VAL 18 2HG1 VAL 18 10.188 10.072 0.159 145 3HG1 VAL 18 3HG1 VAL 18 11.674 10.821 -0.425 146 1HG2 VAL 18 1HG2 VAL 18 9.706 10.744 -3.117 147 2HG2 VAL 18 2HG2 VAL 18 11.385 10.476 -3.578 148 3HG2 VAL 18 3HG2 VAL 18 11.004 11.533 -2.221 149 H LEU 19 H LEU 19 10.067 6.659 -2.654 150 HA LEU 19 HA LEU 19 10.478 5.266 -0.189 151 1HB LEU 19 2HB LEU 19 8.244 5.734 -1.404 152 2HB LEU 19 1HB LEU 19 8.650 4.312 -2.346 153 HG LEU 19 HG LEU 19 8.642 2.929 -0.362 154 1HD1 LEU 19 1HD1 LEU 19 9.187 5.270 1.001 155 2HD1 LEU 19 2HD1 LEU 19 8.844 3.699 1.717 156 3HD1 LEU 19 3HD1 LEU 19 7.545 4.869 1.494 157 1HD2 LEU 19 1HD2 LEU 19 6.161 4.522 0.003 158 2HD2 LEU 19 2HD2 LEU 19 6.375 2.778 -0.158 159 3HD2 LEU 19 3HD2 LEU 19 6.472 3.814 -1.580 160 H GLU 20 H GLU 20 11.508 4.798 -3.459 161 HA GLU 20 HA GLU 20 11.854 2.001 -3.286 162 1HB GLU 20 2HB GLU 20 13.170 2.132 -5.275 163 2HB GLU 20 1HB GLU 20 11.813 3.225 -5.438 164 1HG GLU 20 2HG GLU 20 13.319 5.100 -4.898 165 2HG GLU 20 1HG GLU 20 14.665 3.964 -4.845 166 H ARG 21 H ARG 21 14.279 4.582 -3.110 167 HA ARG 21 HA ARG 21 16.419 2.955 -2.356 168 1HB ARG 21 2HB ARG 21 15.900 5.888 -1.900 169 2HB ARG 21 1HB ARG 21 17.416 5.110 -1.470 170 1HG ARG 21 2HG ARG 21 16.526 4.607 -4.216 171 2HG ARG 21 1HG ARG 21 16.895 6.293 -3.854 172 1HD ARG 21 2HD ARG 21 18.803 4.166 -2.996 173 2HD ARG 21 1HD ARG 21 18.766 4.655 -4.688 174 HE ARG 21 HE ARG 21 19.146 6.632 -2.543 175 1HH1 ARG 21 1HH1 ARG 21 20.253 5.100 -5.489 176 2HH1 ARG 21 2HH1 ARG 21 21.521 6.250 -5.749 177 1HH2 ARG 21 1HH2 ARG 21 20.815 8.132 -2.893 178 2HH2 ARG 21 2HH2 ARG 21 21.840 7.964 -4.279 179 H ALA 22 H ALA 22 14.271 4.916 -0.294 180 HA ALA 22 HA ALA 22 15.426 4.337 2.148 181 1HB ALA 22 1HB ALA 22 13.445 5.919 1.492 182 2HB ALA 22 2HB ALA 22 13.580 5.282 3.131 183 3HB ALA 22 3HB ALA 22 12.463 4.540 1.986 184 H LEU 23 H LEU 23 12.846 2.579 0.517 185 HA LEU 23 HA LEU 23 12.638 0.600 2.543 186 1HB LEU 23 2HB LEU 23 10.882 1.223 0.812 187 2HB LEU 23 1HB LEU 23 11.803 0.254 -0.322 188 HG LEU 23 HG LEU 23 9.789 -0.820 0.845 189 1HD1 LEU 23 1HD1 LEU 23 11.719 -1.915 -0.447 190 2HD1 LEU 23 2HD1 LEU 23 10.736 -2.929 0.605 191 3HD1 LEU 23 3HD1 LEU 23 12.323 -2.385 1.140 192 1HD2 LEU 23 1HD2 LEU 23 11.796 -1.131 3.070 193 2HD2 LEU 23 2HD2 LEU 23 10.163 -1.795 3.005 194 3HD2 LEU 23 3HD2 LEU 23 10.400 -0.052 3.119 195 H ALA 24 H ALA 24 14.588 0.978 -0.294 196 HA ALA 24 HA ALA 24 15.482 -1.708 -0.480 197 1HB ALA 24 1HB ALA 24 16.996 -0.966 -2.083 198 2HB ALA 24 2HB ALA 24 17.160 0.626 -1.340 199 3HB ALA 24 3HB ALA 24 15.688 0.208 -2.219 200 H GLY 25 H GLY 25 16.384 1.100 1.402 201 1HA GLY 25 2HA GLY 25 18.884 0.189 2.358 202 2HA GLY 25 1HA GLY 25 17.829 1.342 3.174 203 H ALA 26 H ALA 26 15.594 -0.584 3.187 204 HA ALA 26 HA ALA 26 16.221 -1.868 5.661 205 1HB ALA 26 1HB ALA 26 13.836 -2.759 5.381 206 2HB ALA 26 2HB ALA 26 13.755 -1.714 3.961 207 3HB ALA 26 3HB ALA 26 14.044 -1.016 5.553 208 H GLY 27 H GLY 27 16.453 -2.722 2.372 209 1HA GLY 27 2HA GLY 27 17.570 -4.654 1.637 210 2HA GLY 27 1HA GLY 27 17.154 -5.444 3.144 211 H LEU 28 H LEU 28 14.654 -3.824 1.242 212 HA LEU 28 HA LEU 28 13.797 -6.486 0.378 213 1HB LEU 28 2HB LEU 28 11.660 -4.542 0.948 214 2HB LEU 28 1HB LEU 28 11.690 -6.276 1.165 215 HG LEU 28 HG LEU 28 13.416 -5.603 3.089 216 1HD1 LEU 28 1HD1 LEU 28 12.448 -3.600 4.252 217 2HD1 LEU 28 2HD1 LEU 28 11.632 -3.219 2.739 218 3HD1 LEU 28 3HD1 LEU 28 13.393 -3.259 2.803 219 1HD2 LEU 28 1HD2 LEU 28 10.879 -6.615 2.945 220 2HD2 LEU 28 2HD2 LEU 28 10.663 -5.201 3.978 221 3HD2 LEU 28 3HD2 LEU 28 11.830 -6.443 4.422 222 H THR 29 H THR 29 12.103 -6.444 -1.347 223 HA THR 29 HA THR 29 13.056 -4.777 -3.506 224 HB THR 29 HB THR 29 10.907 -6.906 -3.423 225 HG1 THR 29 1HG THR 29 13.335 -7.331 -3.196 226 1HG2 THR 29 1HG2 THR 29 11.939 -6.625 -6.020 227 2HG2 THR 29 2HG2 THR 29 11.466 -5.014 -5.478 228 3HG2 THR 29 3HG2 THR 29 10.293 -6.331 -5.462 229 H CYS 30 H CYS 30 12.177 -2.959 -4.205 230 HA CYS 30 HA CYS 30 9.448 -2.242 -3.325 231 1HB CYS 30 2HB CYS 30 10.393 0.149 -3.433 232 2HB CYS 30 1HB CYS 30 10.857 -0.860 -2.069 233 HG CYS 30 HG CYS 30 12.886 -0.872 -4.351 234 H THR 31 H THR 31 8.102 -2.116 -4.972 235 HA THR 31 HA THR 31 9.052 -0.883 -7.464 236 HB THR 31 HB THR 31 8.714 -3.463 -7.565 237 HG1 THR 31 1HG THR 31 7.115 -2.253 -9.497 238 1HG2 THR 31 1HG2 THR 31 5.884 -2.895 -8.170 239 2HG2 THR 31 2HG2 THR 31 6.327 -3.075 -6.474 240 3HG2 THR 31 3HG2 THR 31 6.654 -4.381 -7.618 241 H THR 32 H THR 32 7.738 0.707 -8.215 242 HA THR 32 HA THR 32 5.297 1.223 -6.690 243 HB THR 32 HB THR 32 5.567 3.556 -7.287 244 HG1 THR 32 1HG THR 32 6.678 4.055 -8.977 245 1HG2 THR 32 1HG2 THR 32 8.343 3.214 -6.620 246 2HG2 THR 32 2HG2 THR 32 7.321 2.151 -5.650 247 3HG2 THR 32 3HG2 THR 32 7.029 3.892 -5.662 248 H PHE 33 H PHE 33 3.520 2.319 -7.814 249 HA PHE 33 HA PHE 33 3.257 1.467 -10.615 250 1HB PHE 33 2HB PHE 33 1.198 1.126 -8.439 251 2HB PHE 33 1HB PHE 33 0.958 0.743 -10.131 252 HD1 PHE 33 1HD PHE 33 1.027 -1.504 -10.610 253 HD2 PHE 33 2HD PHE 33 3.524 -0.022 -7.522 254 HE1 PHE 33 1HE PHE 33 1.904 -3.753 -10.251 255 HE2 PHE 33 2HE PHE 33 4.421 -2.266 -7.154 256 HZ PHE 33 HZ PHE 33 3.597 -4.159 -8.529 257 H GLU 34 H GLU 34 1.179 2.434 -11.594 258 HA GLU 34 HA GLU 34 1.434 5.226 -11.645 259 1HB GLU 34 2HB GLU 34 -0.583 5.162 -13.083 260 2HB GLU 34 1HB GLU 34 0.652 4.007 -13.564 261 1HG GLU 34 2HG GLU 34 -1.183 2.681 -13.713 262 2HG GLU 34 1HG GLU 34 -0.740 2.389 -12.035 263 H ASN 35 H ASN 35 -1.044 3.189 -10.084 264 HA ASN 35 HA ASN 35 -1.613 5.223 -8.183 265 1HB ASN 35 2HB ASN 35 -2.872 5.774 -10.450 266 2HB ASN 35 1HB ASN 35 -4.015 4.592 -9.821 267 1HD2 ASN 35 1HD2 ASN 35 -4.229 5.024 -7.252 268 2HD2 ASN 35 2HD2 ASN 35 -4.720 6.639 -6.896 269 H GLY 36 H GLY 36 -3.309 2.574 -9.765 270 1HA GLY 36 2HA GLY 36 -3.155 0.927 -7.409 271 2HA GLY 36 1HA GLY 36 -4.760 1.569 -7.700 272 H ASN 37 H ASN 37 -5.139 1.417 -10.320 273 HA ASN 37 HA ASN 37 -5.851 -1.181 -10.813 274 1HB ASN 37 2HB ASN 37 -5.616 1.254 -12.406 275 2HB ASN 37 1HB ASN 37 -5.439 -0.221 -13.352 276 1HD2 ASN 37 1HD2 ASN 37 -7.405 0.423 -10.485 277 2HD2 ASN 37 2HD2 ASN 37 -8.925 0.064 -11.225 278 H GLU 38 H GLU 38 -2.769 0.312 -11.262 279 HA GLU 38 HA GLU 38 -1.626 -1.533 -13.039 280 1HB GLU 38 2HB GLU 38 -0.771 0.749 -12.198 281 2HB GLU 38 1HB GLU 38 -0.068 -0.167 -10.883 282 1HG GLU 38 2HG GLU 38 1.702 -0.212 -12.275 283 2HG GLU 38 1HG GLU 38 0.848 -1.609 -12.929 284 H VAL 39 H VAL 39 -1.311 -1.411 -9.442 285 HA VAL 39 HA VAL 39 0.055 -3.866 -9.257 286 HB VAL 39 HB VAL 39 -1.770 -2.689 -7.156 287 1HG1 VAL 39 1HG1 VAL 39 -1.103 -4.346 -5.824 288 2HG1 VAL 39 2HG1 VAL 39 0.590 -4.028 -6.198 289 3HG1 VAL 39 3HG1 VAL 39 -0.352 -5.100 -7.226 290 1HG2 VAL 39 1HG2 VAL 39 -0.008 -1.373 -6.392 291 2HG2 VAL 39 2HG2 VAL 39 0.069 -1.202 -8.144 292 3HG2 VAL 39 3HG2 VAL 39 1.192 -2.277 -7.315 293 H LEU 40 H LEU 40 -3.344 -3.105 -9.506 294 HA LEU 40 HA LEU 40 -4.489 -5.496 -8.673 295 1HB LEU 40 2HB LEU 40 -5.401 -3.806 -11.000 296 2HB LEU 40 1HB LEU 40 -6.384 -4.914 -10.065 297 HG LEU 40 HG LEU 40 -5.212 -2.306 -9.121 298 1HD1 LEU 40 1HD1 LEU 40 -7.528 -1.651 -8.877 299 2HD1 LEU 40 2HD1 LEU 40 -8.042 -3.233 -9.461 300 3HD1 LEU 40 3HD1 LEU 40 -7.195 -2.142 -10.545 301 1HD2 LEU 40 1HD2 LEU 40 -5.071 -3.710 -7.240 302 2HD2 LEU 40 2HD2 LEU 40 -6.597 -4.509 -7.623 303 3HD2 LEU 40 3HD2 LEU 40 -6.593 -2.841 -7.052 304 H ALA 41 H ALA 41 -3.196 -4.567 -11.827 305 HA ALA 41 HA ALA 41 -3.763 -7.124 -13.007 306 1HB ALA 41 1HB ALA 41 -2.030 -4.926 -14.104 307 2HB ALA 41 2HB ALA 41 -3.784 -4.982 -14.283 308 3HB ALA 41 3HB ALA 41 -2.782 -6.244 -15.003 309 H ALA 42 H ALA 42 -0.861 -5.375 -12.053 310 HA ALA 42 HA ALA 42 1.034 -7.286 -12.766 311 1HB ALA 42 1HB ALA 42 1.706 -5.849 -10.305 312 2HB ALA 42 2HB ALA 42 1.136 -4.811 -11.613 313 3HB ALA 42 3HB ALA 42 2.518 -5.873 -11.871 314 H LEU 43 H LEU 43 -1.058 -7.130 -9.965 315 HA LEU 43 HA LEU 43 0.311 -8.990 -8.356 316 1HB LEU 43 2HB LEU 43 -2.525 -8.024 -8.446 317 2HB LEU 43 1HB LEU 43 -2.075 -9.354 -7.391 318 HG LEU 43 HG LEU 43 -0.748 -6.663 -7.300 319 1HD1 LEU 43 1HD1 LEU 43 -3.229 -6.682 -6.734 320 2HD1 LEU 43 2HD1 LEU 43 -2.132 -6.070 -5.494 321 3HD1 LEU 43 3HD1 LEU 43 -2.791 -7.701 -5.363 322 1HD2 LEU 43 1HD2 LEU 43 0.695 -8.235 -6.389 323 2HD2 LEU 43 2HD2 LEU 43 -0.629 -9.174 -5.698 324 3HD2 LEU 43 3HD2 LEU 43 -0.183 -7.617 -4.991 325 H ALA 44 H ALA 44 -1.677 -9.379 -11.127 326 HA ALA 44 HA ALA 44 -2.620 -11.985 -10.738 327 1HB ALA 44 1HB ALA 44 -3.072 -12.032 -13.072 328 2HB ALA 44 2HB ALA 44 -1.868 -10.784 -13.392 329 3HB ALA 44 3HB ALA 44 -3.347 -10.380 -12.521 330 H SER 45 H SER 45 0.569 -10.889 -11.242 331 HA SER 45 HA SER 45 1.410 -13.594 -11.946 332 1HB SER 45 2HB SER 45 1.950 -12.143 -13.777 333 2HB SER 45 1HB SER 45 2.668 -10.956 -12.689 334 HG SER 45 HG SER 45 4.439 -12.122 -12.567 335 H LYS 46 H LYS 46 1.424 -11.328 -9.479 336 HA LYS 46 HA LYS 46 3.228 -12.891 -7.923 337 1HB LYS 46 2HB LYS 46 4.537 -11.099 -9.449 338 2HB LYS 46 1HB LYS 46 4.178 -10.094 -8.054 339 1HG LYS 46 2HG LYS 46 5.132 -12.401 -6.910 340 2HG LYS 46 1HG LYS 46 6.118 -12.237 -8.367 341 1HD LYS 46 2HD LYS 46 5.970 -9.666 -7.284 342 2HD LYS 46 1HD LYS 46 6.212 -10.735 -5.901 343 1HE LYS 46 2HE LYS 46 8.340 -11.100 -6.450 344 2HE LYS 46 1HE LYS 46 7.914 -11.476 -8.118 345 1HZ LYS 46 1HZ LYS 46 7.633 -8.743 -7.861 346 2HZ LYS 46 2HZ LYS 46 8.862 -9.567 -8.678 347 3HZ LYS 46 3HZ LYS 46 9.075 -9.118 -7.062 348 H THR 47 H THR 47 3.467 -12.033 -5.694 349 HA THR 47 HA THR 47 1.411 -10.119 -4.951 350 HB THR 47 HB THR 47 1.696 -12.889 -3.790 351 HG1 THR 47 1HG THR 47 -0.535 -12.970 -4.420 352 1HG2 THR 47 1HG2 THR 47 1.244 -11.592 -1.895 353 2HG2 THR 47 2HG2 THR 47 -0.324 -12.209 -2.420 354 3HG2 THR 47 3HG2 THR 47 0.135 -10.543 -2.772 355 HA PRO 48 HA PRO 48 5.020 -8.826 -2.580 356 1HB PRO 48 2HB PRO 48 3.974 -6.475 -1.727 357 2HB PRO 48 1HB PRO 48 4.621 -6.695 -3.358 358 1HG PRO 48 2HG PRO 48 1.778 -6.739 -2.422 359 2HG PRO 48 1HG PRO 48 2.467 -5.991 -3.874 360 1HD PRO 48 2HD PRO 48 1.175 -8.377 -3.911 361 2HD PRO 48 1HD PRO 48 2.477 -7.970 -5.043 362 H ASP 49 H ASP 49 5.522 -8.799 -0.381 363 HA ASP 49 HA ASP 49 3.634 -10.081 1.342 364 1HB ASP 49 2HB ASP 49 6.381 -8.941 1.891 365 2HB ASP 49 1HB ASP 49 5.436 -9.863 3.058 366 H VAL 50 H VAL 50 4.510 -6.800 0.712 367 HA VAL 50 HA VAL 50 2.546 -5.898 2.669 368 HB VAL 50 HB VAL 50 4.610 -5.869 3.929 369 1HG1 VAL 50 1HG1 VAL 50 6.550 -5.610 2.897 370 2HG1 VAL 50 2HG1 VAL 50 6.165 -3.914 2.621 371 3HG1 VAL 50 3HG1 VAL 50 5.726 -5.128 1.413 372 1HG2 VAL 50 1HG2 VAL 50 3.074 -4.031 4.325 373 2HG2 VAL 50 2HG2 VAL 50 3.836 -3.094 3.041 374 3HG2 VAL 50 3HG2 VAL 50 4.743 -3.490 4.501 375 H LEU 51 H LEU 51 1.225 -5.067 1.075 376 HA LEU 51 HA LEU 51 2.318 -3.393 -1.023 377 1HB LEU 51 2HB LEU 51 0.529 -5.051 -1.455 378 2HB LEU 51 1HB LEU 51 -0.544 -4.130 -0.424 379 HG LEU 51 HG LEU 51 -0.352 -2.214 -2.011 380 1HD1 LEU 51 1HD1 LEU 51 1.550 -2.365 -3.246 381 2HD1 LEU 51 2HD1 LEU 51 0.432 -3.131 -4.371 382 3HD1 LEU 51 3HD1 LEU 51 1.476 -4.121 -3.353 383 1HD2 LEU 51 1HD2 LEU 51 -1.717 -4.712 -2.372 384 2HD2 LEU 51 2HD2 LEU 51 -1.353 -3.989 -3.938 385 3HD2 LEU 51 3HD2 LEU 51 -2.265 -3.078 -2.735 386 H LEU 52 H LEU 52 1.923 -1.220 -1.342 387 HA LEU 52 HA LEU 52 0.693 0.226 0.919 388 1HB LEU 52 2HB LEU 52 3.342 0.269 0.364 389 2HB LEU 52 1HB LEU 52 2.798 1.603 -0.636 390 HG LEU 52 HG LEU 52 2.270 1.376 2.327 391 1HD1 LEU 52 1HD1 LEU 52 4.554 1.695 2.267 392 2HD1 LEU 52 2HD1 LEU 52 3.949 3.351 2.305 393 3HD1 LEU 52 3HD1 LEU 52 4.489 2.645 0.781 394 1HD2 LEU 52 1HD2 LEU 52 2.033 3.781 0.536 395 2HD2 LEU 52 2HD2 LEU 52 1.492 3.605 2.207 396 3HD2 LEU 52 3HD2 LEU 52 0.678 2.718 0.920 397 H SER 53 H SER 53 -1.125 1.197 0.248 398 HA SER 53 HA SER 53 -1.212 2.220 -2.513 399 1HB SER 53 2HB SER 53 -3.051 0.556 -1.035 400 2HB SER 53 1HB SER 53 -3.850 2.029 -1.579 401 HG SER 53 HG SER 53 -2.839 1.500 -3.691 402 H ASP 54 H ASP 54 -1.669 4.287 -2.887 403 HA ASP 54 HA ASP 54 -1.817 6.091 -0.636 404 1HB ASP 54 2HB ASP 54 -0.813 6.238 -3.252 405 2HB ASP 54 1HB ASP 54 -2.168 7.362 -3.220 406 H ILE 55 H ILE 55 -3.344 8.127 -1.274 407 HA ILE 55 HA ILE 55 -5.961 7.246 -2.163 408 HB ILE 55 HB ILE 55 -6.099 6.661 0.156 409 1HG1 ILE 55 2HG1 ILE 55 -7.911 8.197 -1.080 410 2HG1 ILE 55 1HG1 ILE 55 -8.137 7.601 0.556 411 1HG2 ILE 55 1HG2 ILE 55 -4.334 7.877 1.142 412 2HG2 ILE 55 2HG2 ILE 55 -5.813 8.410 1.934 413 3HG2 ILE 55 3HG2 ILE 55 -5.057 9.425 0.710 414 1HD1 ILE 55 1HD1 ILE 55 -7.853 9.660 1.477 415 2HD1 ILE 55 2HD1 ILE 55 -8.539 10.115 -0.082 416 3HD1 ILE 55 3HD1 ILE 55 -6.799 10.222 0.179 417 H ARG 56 H ARG 56 -6.346 8.742 -3.676 418 HA ARG 56 HA ARG 56 -6.589 11.496 -2.918 419 1HB ARG 56 2HB ARG 56 -4.158 10.575 -4.208 420 2HB ARG 56 1HB ARG 56 -4.970 11.805 -5.166 421 1HG ARG 56 2HG ARG 56 -5.056 13.219 -3.093 422 2HG ARG 56 1HG ARG 56 -4.004 12.025 -2.328 423 1HD ARG 56 2HD ARG 56 -2.190 12.724 -3.453 424 2HD ARG 56 1HD ARG 56 -3.088 12.952 -4.954 425 HE ARG 56 HE ARG 56 -3.172 15.165 -4.454 426 1HH1 ARG 56 1HH1 ARG 56 -2.830 13.407 -1.460 427 2HH1 ARG 56 2HH1 ARG 56 -2.772 14.835 -0.483 428 1HH2 ARG 56 1HH2 ARG 56 -3.104 17.042 -3.173 429 2HH2 ARG 56 2HH2 ARG 56 -2.928 16.899 -1.455 430 H MET 57 H MET 57 -8.724 10.687 -3.561 431 HA MET 57 HA MET 57 -10.449 10.333 -5.023 432 1HB MET 57 2HB MET 57 -10.770 12.271 -6.510 433 2HB MET 57 1HB MET 57 -10.308 12.730 -4.876 434 1HG MET 57 2HG MET 57 -8.282 13.536 -5.523 435 2HG MET 57 1HG MET 57 -8.151 12.428 -6.887 436 1HE MET 57 1HE MET 57 -7.958 15.618 -8.924 437 2HE MET 57 2HE MET 57 -7.766 13.877 -9.141 438 3HE MET 57 3HE MET 57 -7.029 14.679 -7.753 439 HA PRO 58 HA PRO 58 -7.970 8.582 -8.633 440 1HB PRO 58 2HB PRO 58 -7.928 5.962 -7.931 441 2HB PRO 58 1HB PRO 58 -6.654 7.099 -7.476 442 1HG PRO 58 2HG PRO 58 -8.871 5.984 -5.838 443 2HG PRO 58 1HG PRO 58 -7.230 6.433 -5.355 444 1HD PRO 58 2HD PRO 58 -9.519 7.943 -4.928 445 2HD PRO 58 1HD PRO 58 -7.859 8.553 -4.866 446 H GLY 59 H GLY 59 -10.083 6.170 -7.102 447 1HA GLY 59 2HA GLY 59 -11.923 6.418 -9.397 448 2HA GLY 59 1HA GLY 59 -11.554 4.887 -8.612 449 H MET 60 H MET 60 -11.583 6.211 -5.955 450 HA MET 60 HA MET 60 -14.239 7.197 -5.528 451 1HB MET 60 2HB MET 60 -14.728 4.792 -5.674 452 2HB MET 60 1HB MET 60 -13.510 4.469 -4.449 453 1HG MET 60 2HG MET 60 -15.262 4.479 -3.061 454 2HG MET 60 1HG MET 60 -15.034 6.225 -3.113 455 1HE MET 60 1HE MET 60 -18.744 4.919 -2.907 456 2HE MET 60 2HE MET 60 -18.247 6.589 -2.636 457 3HE MET 60 3HE MET 60 -17.271 5.263 -2.002 458 H ASP 61 H ASP 61 -12.526 8.764 -4.901 459 HA ASP 61 HA ASP 61 -11.599 10.042 -3.276 460 1HB ASP 61 2HB ASP 61 -13.448 8.365 -1.889 461 2HB ASP 61 1HB ASP 61 -12.014 8.580 -0.888 462 H GLY 62 H GLY 62 -10.880 6.646 -3.371 463 1HA GLY 62 2HA GLY 62 -8.298 6.505 -3.620 464 2HA GLY 62 1HA GLY 62 -8.357 7.053 -1.962 465 H LEU 63 H LEU 63 -10.813 5.584 -1.401 466 HA LEU 63 HA LEU 63 -9.603 3.131 -0.632 467 1HB LEU 63 2HB LEU 63 -12.538 3.804 -0.525 468 2HB LEU 63 1HB LEU 63 -11.701 2.571 0.400 469 HG LEU 63 HG LEU 63 -10.338 4.724 1.234 470 1HD1 LEU 63 1HD1 LEU 63 -12.126 6.022 -0.278 471 2HD1 LEU 63 2HD1 LEU 63 -11.425 6.700 1.192 472 3HD1 LEU 63 3HD1 LEU 63 -13.019 5.951 1.238 473 1HD2 LEU 63 1HD2 LEU 63 -11.777 4.717 3.210 474 2HD2 LEU 63 2HD2 LEU 63 -11.418 3.082 2.655 475 3HD2 LEU 63 3HD2 LEU 63 -12.991 3.804 2.319 476 H ALA 64 H ALA 64 -11.358 4.213 -3.394 477 HA ALA 64 HA ALA 64 -12.567 1.883 -4.317 478 1HB ALA 64 1HB ALA 64 -11.403 3.129 -6.565 479 2HB ALA 64 2HB ALA 64 -11.795 4.407 -5.415 480 3HB ALA 64 3HB ALA 64 -13.052 3.298 -5.966 481 H LEU 65 H LEU 65 -9.213 2.954 -4.613 482 HA LEU 65 HA LEU 65 -8.204 1.022 -6.305 483 1HB LEU 65 2HB LEU 65 -6.804 2.119 -3.865 484 2HB LEU 65 1HB LEU 65 -6.040 1.433 -5.286 485 HG LEU 65 HG LEU 65 -7.758 3.894 -5.470 486 1HD1 LEU 65 1HD1 LEU 65 -5.597 5.167 -5.404 487 2HD1 LEU 65 2HD1 LEU 65 -4.839 3.709 -4.766 488 3HD1 LEU 65 3HD1 LEU 65 -6.124 4.503 -3.858 489 1HD2 LEU 65 1HD2 LEU 65 -6.963 4.101 -7.581 490 2HD2 LEU 65 2HD2 LEU 65 -6.807 2.352 -7.427 491 3HD2 LEU 65 3HD2 LEU 65 -5.400 3.387 -7.183 492 H LEU 66 H LEU 66 -8.487 0.906 -2.769 493 HA LEU 66 HA LEU 66 -7.426 -1.592 -2.272 494 1HB LEU 66 2HB LEU 66 -9.528 0.056 -0.949 495 2HB LEU 66 1HB LEU 66 -9.264 -1.583 -0.392 496 HG LEU 66 HG LEU 66 -7.059 0.462 -0.547 497 1HD1 LEU 66 1HD1 LEU 66 -8.587 -0.293 1.926 498 2HD1 LEU 66 2HD1 LEU 66 -9.000 1.111 0.951 499 3HD1 LEU 66 3HD1 LEU 66 -7.420 1.002 1.711 500 1HD2 LEU 66 1HD2 LEU 66 -6.031 -1.592 -0.389 501 2HD2 LEU 66 2HD2 LEU 66 -7.355 -2.306 0.531 502 3HD2 LEU 66 3HD2 LEU 66 -6.240 -1.185 1.314 503 H LYS 67 H LYS 67 -10.878 -0.846 -2.758 504 HA LYS 67 HA LYS 67 -12.033 -3.275 -2.598 505 1HB LYS 67 2HB LYS 67 -12.586 -1.145 -4.664 506 2HB LYS 67 1HB LYS 67 -13.638 -2.523 -4.372 507 1HG LYS 67 2HG LYS 67 -13.497 -1.615 -1.883 508 2HG LYS 67 1HG LYS 67 -13.185 -0.101 -2.737 509 1HD LYS 67 2HD LYS 67 -15.238 -0.554 -4.102 510 2HD LYS 67 1HD LYS 67 -15.577 -1.912 -3.027 511 1HE LYS 67 2HE LYS 67 -16.839 -0.195 -2.108 512 2HE LYS 67 1HE LYS 67 -15.369 -0.167 -1.136 513 1HZ LYS 67 1HZ LYS 67 -16.463 1.950 -2.466 514 2HZ LYS 67 2HZ LYS 67 -15.163 1.498 -3.449 515 3HZ LYS 67 3HZ LYS 67 -14.901 1.879 -1.822 516 H GLN 68 H GLN 68 -10.416 -2.034 -5.511 517 HA GLN 68 HA GLN 68 -10.878 -4.364 -7.047 518 1HB GLN 68 2HB GLN 68 -8.673 -2.357 -7.472 519 2HB GLN 68 1HB GLN 68 -9.411 -3.414 -8.666 520 1HG GLN 68 2HG GLN 68 -10.899 -1.234 -7.235 521 2HG GLN 68 1HG GLN 68 -10.106 -1.027 -8.800 522 1HE2 GLN 68 1HE2 GLN 68 -12.928 -0.796 -8.129 523 2HE2 GLN 68 2HE2 GLN 68 -13.756 -1.945 -9.118 524 H ILE 69 H ILE 69 -8.258 -3.329 -4.951 525 HA ILE 69 HA ILE 69 -6.284 -5.154 -5.640 526 HB ILE 69 HB ILE 69 -6.944 -4.012 -2.927 527 1HG1 ILE 69 2HG1 ILE 69 -4.965 -3.177 -5.058 528 2HG1 ILE 69 1HG1 ILE 69 -6.434 -2.323 -4.615 529 1HG2 ILE 69 1HG2 ILE 69 -5.503 -5.554 -2.170 530 2HG2 ILE 69 2HG2 ILE 69 -4.275 -4.499 -2.863 531 3HG2 ILE 69 3HG2 ILE 69 -4.859 -5.885 -3.775 532 1HD1 ILE 69 1HD1 ILE 69 -4.273 -2.828 -2.606 533 2HD1 ILE 69 2HD1 ILE 69 -5.551 -1.614 -2.578 534 3HD1 ILE 69 3HD1 ILE 69 -4.204 -1.454 -3.705 535 H LYS 70 H LYS 70 -8.917 -5.537 -3.344 536 HA LYS 70 HA LYS 70 -8.211 -8.175 -2.601 537 1HB LYS 70 2HB LYS 70 -10.297 -8.256 -1.415 538 2HB LYS 70 1HB LYS 70 -9.560 -6.678 -1.174 539 1HG LYS 70 2HG LYS 70 -11.420 -5.712 -1.881 540 2HG LYS 70 1HG LYS 70 -11.214 -6.493 -3.449 541 1HD LYS 70 2HD LYS 70 -12.712 -8.140 -2.985 542 2HD LYS 70 1HD LYS 70 -12.343 -8.137 -1.258 543 1HE LYS 70 2HE LYS 70 -14.251 -7.021 -0.974 544 2HE LYS 70 1HE LYS 70 -13.443 -5.638 -1.708 545 1HZ LYS 70 1HZ LYS 70 -14.197 -6.741 -3.904 546 2HZ LYS 70 2HZ LYS 70 -15.319 -5.858 -2.995 547 3HZ LYS 70 3HZ LYS 70 -15.320 -7.548 -2.927 548 H GLN 71 H GLN 71 -10.125 -6.893 -5.194 549 HA GLN 71 HA GLN 71 -11.678 -9.168 -5.719 550 1HB GLN 71 2HB GLN 71 -10.910 -6.747 -7.202 551 2HB GLN 71 1HB GLN 71 -11.334 -8.127 -8.207 552 1HG GLN 71 2HG GLN 71 -13.510 -8.092 -7.592 553 2HG GLN 71 1HG GLN 71 -13.156 -7.492 -5.971 554 1HE2 GLN 71 1HE2 GLN 71 -12.695 -5.252 -5.715 555 2HE2 GLN 71 2HE2 GLN 71 -13.326 -4.095 -6.835 556 H ARG 72 H ARG 72 -8.377 -8.438 -6.490 557 HA ARG 72 HA ARG 72 -8.130 -10.750 -8.231 558 1HB ARG 72 2HB ARG 72 -6.212 -8.597 -7.392 559 2HB ARG 72 1HB ARG 72 -5.686 -10.013 -8.292 560 1HG ARG 72 2HG ARG 72 -6.123 -8.817 -10.114 561 2HG ARG 72 1HG ARG 72 -7.824 -9.132 -9.762 562 1HD ARG 72 2HD ARG 72 -7.498 -7.029 -8.184 563 2HD ARG 72 1HD ARG 72 -6.215 -6.671 -9.339 564 HE ARG 72 HE ARG 72 -8.992 -6.360 -9.754 565 1HH1 ARG 72 1HH1 ARG 72 -6.069 -7.328 -11.406 566 2HH1 ARG 72 2HH1 ARG 72 -6.676 -6.920 -12.975 567 1HH2 ARG 72 1HH2 ARG 72 -9.787 -5.830 -11.814 568 2HH2 ARG 72 2HH2 ARG 72 -8.786 -6.069 -13.208 569 H HIS 73 H HIS 73 -6.441 -9.584 -5.379 570 HA HIS 73 HA HIS 73 -5.359 -12.185 -4.782 571 1HB HIS 73 2HB HIS 73 -4.150 -11.080 -3.054 572 2HB HIS 73 1HB HIS 73 -4.201 -9.960 -4.408 573 HD1 HIS 73 1HD HIS 73 -6.450 -10.577 -1.390 574 HD2 HIS 73 2HD HIS 73 -4.721 -7.475 -3.519 575 HE1 HIS 73 1HE HIS 73 -7.118 -8.492 -0.179 576 HE2 HIS 73 2HE HIS 73 -5.863 -6.667 -1.332 577 HA PRO 74 HA PRO 74 -8.325 -13.358 -1.689 578 1HB PRO 74 2HB PRO 74 -6.833 -14.717 0.094 579 2HB PRO 74 1HB PRO 74 -7.089 -15.300 -1.552 580 1HG PRO 74 2HG PRO 74 -4.680 -14.099 -0.332 581 2HG PRO 74 1HG PRO 74 -4.812 -15.231 -1.687 582 1HD PRO 74 2HD PRO 74 -4.425 -12.419 -1.807 583 2HD PRO 74 1HD PRO 74 -4.695 -13.529 -3.164 584 H MET 75 H MET 75 -5.387 -12.243 0.023 585 HA MET 75 HA MET 75 -6.880 -10.247 1.457 586 1HB MET 75 2HB MET 75 -5.830 -12.704 2.845 587 2HB MET 75 1HB MET 75 -6.039 -11.183 3.702 588 1HG MET 75 2HG MET 75 -8.425 -11.195 3.032 589 2HG MET 75 1HG MET 75 -8.178 -12.794 2.332 590 1HE MET 75 1HE MET 75 -10.411 -13.583 4.703 591 2HE MET 75 2HE MET 75 -9.288 -14.943 4.778 592 3HE MET 75 3HE MET 75 -9.553 -14.102 3.252 593 H LEU 76 H LEU 76 -4.862 -9.798 -0.282 594 HA LEU 76 HA LEU 76 -2.268 -9.777 0.776 595 1HB LEU 76 2HB LEU 76 -3.174 -9.414 -1.648 596 2HB LEU 76 1HB LEU 76 -3.226 -7.727 -1.176 597 HG LEU 76 HG LEU 76 -0.773 -9.477 -1.225 598 1HD1 LEU 76 1HD1 LEU 76 -0.505 -8.810 -3.323 599 2HD1 LEU 76 2HD1 LEU 76 -0.734 -7.120 -2.872 600 3HD1 LEU 76 3HD1 LEU 76 -2.129 -8.127 -3.264 601 1HD2 LEU 76 1HD2 LEU 76 -0.533 -7.909 0.559 602 2HD2 LEU 76 2HD2 LEU 76 -1.180 -6.600 -0.427 603 3HD2 LEU 76 3HD2 LEU 76 0.395 -7.295 -0.811 604 HA PRO 77 HA PRO 77 -3.053 -6.514 3.780 605 1HB PRO 77 2HB PRO 77 -0.479 -6.427 4.719 606 2HB PRO 77 1HB PRO 77 -1.697 -7.582 5.270 607 1HG PRO 77 2HG PRO 77 0.507 -7.951 3.285 608 2HG PRO 77 1HG PRO 77 -0.088 -9.068 4.523 609 1HD PRO 77 2HD PRO 77 -0.737 -9.325 1.925 610 2HD PRO 77 1HD PRO 77 -1.851 -9.774 3.234 611 H VAL 78 H VAL 78 -3.280 -4.559 2.977 612 HA VAL 78 HA VAL 78 -1.049 -3.254 1.591 613 HB VAL 78 HB VAL 78 -3.927 -2.412 1.365 614 1HG1 VAL 78 1HG1 VAL 78 -2.325 -0.756 0.690 615 2HG1 VAL 78 2HG1 VAL 78 -3.110 -1.409 -0.747 616 3HG1 VAL 78 3HG1 VAL 78 -1.478 -1.926 -0.323 617 1HG2 VAL 78 1HG2 VAL 78 -2.630 -4.059 -0.758 618 2HG2 VAL 78 2HG2 VAL 78 -4.340 -3.810 -0.419 619 3HG2 VAL 78 3HG2 VAL 78 -3.378 -4.856 0.621 620 H ILE 79 H ILE 79 -0.737 -0.991 1.985 621 HA ILE 79 HA ILE 79 -1.881 -0.050 4.540 622 HB ILE 79 HB ILE 79 0.855 0.675 3.493 623 1HG1 ILE 79 2HG1 ILE 79 1.028 -0.883 5.865 624 2HG1 ILE 79 1HG1 ILE 79 -0.011 -1.761 4.748 625 1HG2 ILE 79 1HG2 ILE 79 -0.788 1.816 5.452 626 2HG2 ILE 79 2HG2 ILE 79 0.917 2.150 5.152 627 3HG2 ILE 79 3HG2 ILE 79 0.453 0.923 6.331 628 1HD1 ILE 79 1HD1 ILE 79 1.673 -2.112 3.247 629 2HD1 ILE 79 2HD1 ILE 79 2.588 -2.092 4.755 630 3HD1 ILE 79 3HD1 ILE 79 2.553 -0.659 3.729 631 H ILE 80 H ILE 80 -3.178 1.644 4.231 632 HA ILE 80 HA ILE 80 -2.796 3.307 1.857 633 HB ILE 80 HB ILE 80 -5.150 3.479 3.702 634 1HG1 ILE 80 2HG1 ILE 80 -4.855 1.121 3.006 635 2HG1 ILE 80 1HG1 ILE 80 -6.300 1.848 2.315 636 1HG2 ILE 80 1HG2 ILE 80 -4.872 4.035 0.752 637 2HG2 ILE 80 2HG2 ILE 80 -4.800 5.259 2.019 638 3HG2 ILE 80 3HG2 ILE 80 -6.288 4.350 1.757 639 1HD1 ILE 80 1HD1 ILE 80 -5.234 0.537 0.631 640 2HD1 ILE 80 2HD1 ILE 80 -3.685 1.322 0.935 641 3HD1 ILE 80 3HD1 ILE 80 -5.007 2.239 0.221 642 H MET 81 H MET 81 -2.782 5.556 1.925 643 HA MET 81 HA MET 81 -1.285 6.657 4.056 644 1HB MET 81 2HB MET 81 -0.902 7.549 1.916 645 2HB MET 81 1HB MET 81 -2.607 7.859 1.644 646 1HG MET 81 2HG MET 81 -2.570 9.632 3.303 647 2HG MET 81 1HG MET 81 -0.872 9.301 3.633 648 1HE MET 81 1HE MET 81 -2.455 10.940 -0.373 649 2HE MET 81 2HE MET 81 -3.413 11.053 1.102 650 3HE MET 81 3HE MET 81 -3.022 9.473 0.425 651 H THR 82 H THR 82 -4.674 7.358 3.072 652 HA THR 82 HA THR 82 -5.254 8.037 5.859 653 HB THR 82 HB THR 82 -6.186 9.877 3.670 654 HG1 THR 82 1HG THR 82 -4.285 10.706 3.573 655 1HG2 THR 82 1HG2 THR 82 -6.505 11.478 5.405 656 2HG2 THR 82 2HG2 THR 82 -5.759 10.414 6.596 657 3HG2 THR 82 3HG2 THR 82 -7.311 9.983 5.876 658 H ALA 83 H ALA 83 -7.422 7.784 6.483 659 HA ALA 83 HA ALA 83 -9.108 6.415 4.489 660 1HB ALA 83 1HB ALA 83 -9.417 4.764 5.935 661 2HB ALA 83 2HB ALA 83 -9.909 5.885 7.203 662 3HB ALA 83 3HB ALA 83 -8.201 5.515 6.967 663 H HIS 84 H HIS 84 -9.503 8.981 4.211 664 HA HIS 84 HA HIS 84 -11.688 9.774 5.995 665 1HB HIS 84 2HB HIS 84 -11.419 12.017 5.140 666 2HB HIS 84 1HB HIS 84 -9.845 11.390 5.614 667 HD1 HIS 84 1HD HIS 84 -8.042 11.556 3.908 668 HD2 HIS 84 2HD HIS 84 -11.825 11.938 2.245 669 HE1 HIS 84 1HE HIS 84 -7.655 12.146 1.493 670 HE2 HIS 84 2HE HIS 84 -9.958 12.219 0.476 671 H SER 85 H SER 85 -13.295 11.311 4.568 672 HA SER 85 HA SER 85 -14.991 11.403 3.062 673 1HB SER 85 2HB SER 85 -14.739 10.601 0.870 674 2HB SER 85 1HB SER 85 -13.092 10.945 1.384 675 HG SER 85 HG SER 85 -14.280 8.556 0.748 676 H ASP 86 H ASP 86 -13.932 7.973 3.109 677 HA ASP 86 HA ASP 86 -16.431 7.249 4.387 678 1HB ASP 86 2HB ASP 86 -16.985 5.588 2.587 679 2HB ASP 86 1HB ASP 86 -17.168 7.274 2.110 680 H LEU 87 H LEU 87 -15.021 6.529 6.048 681 HA LEU 87 HA LEU 87 -12.891 4.779 5.819 682 1HB LEU 87 2HB LEU 87 -14.452 5.852 7.911 683 2HB LEU 87 1HB LEU 87 -14.417 4.119 8.162 684 HG LEU 87 HG LEU 87 -12.009 5.927 7.925 685 1HD1 LEU 87 1HD1 LEU 87 -12.588 6.331 10.062 686 2HD1 LEU 87 2HD1 LEU 87 -11.847 4.755 10.347 687 3HD1 LEU 87 3HD1 LEU 87 -13.597 4.889 10.174 688 1HD2 LEU 87 1HD2 LEU 87 -11.061 3.597 8.902 689 2HD2 LEU 87 2HD2 LEU 87 -11.033 4.022 7.191 690 3HD2 LEU 87 3HD2 LEU 87 -12.319 2.995 7.823 691 H ASP 88 H ASP 88 -16.230 4.139 5.331 692 HA ASP 88 HA ASP 88 -16.586 1.522 6.018 693 1HB ASP 88 2HB ASP 88 -17.546 2.964 3.543 694 2HB ASP 88 1HB ASP 88 -18.115 1.367 4.019 695 H ALA 89 H ALA 89 -15.372 2.590 2.816 696 HA ALA 89 HA ALA 89 -14.764 -0.015 1.931 697 1HB ALA 89 1HB ALA 89 -13.670 2.635 1.007 698 2HB ALA 89 2HB ALA 89 -15.045 1.763 0.332 699 3HB ALA 89 3HB ALA 89 -13.417 1.099 0.178 700 H ALA 90 H ALA 90 -13.136 2.091 4.081 701 HA ALA 90 HA ALA 90 -10.508 1.010 3.703 702 1HB ALA 90 1HB ALA 90 -10.074 2.227 5.914 703 2HB ALA 90 2HB ALA 90 -11.721 2.839 5.747 704 3HB ALA 90 3HB ALA 90 -10.520 3.200 4.509 705 H VAL 91 H VAL 91 -13.052 0.588 6.169 706 HA VAL 91 HA VAL 91 -11.596 -1.190 7.782 707 HB VAL 91 HB VAL 91 -14.585 -1.295 7.504 708 1HG1 VAL 91 1HG1 VAL 91 -14.260 -2.852 9.076 709 2HG1 VAL 91 2HG1 VAL 91 -13.889 -1.509 10.158 710 3HG1 VAL 91 3HG1 VAL 91 -12.581 -2.365 9.334 711 1HG2 VAL 91 1HG2 VAL 91 -14.268 0.998 7.785 712 2HG2 VAL 91 2HG2 VAL 91 -12.861 0.774 8.824 713 3HG2 VAL 91 3HG2 VAL 91 -14.475 0.413 9.436 714 H SER 92 H SER 92 -13.966 -1.840 5.210 715 HA SER 92 HA SER 92 -13.897 -4.627 5.351 716 1HB SER 92 2HB SER 92 -14.875 -4.660 3.180 717 2HB SER 92 1HB SER 92 -15.473 -3.189 3.947 718 HG SER 92 HG SER 92 -13.529 -2.206 2.841 719 H ALA 93 H ALA 93 -11.609 -2.347 4.126 720 HA ALA 93 HA ALA 93 -10.152 -3.955 2.380 721 1HB ALA 93 1HB ALA 93 -9.964 -1.372 3.299 722 2HB ALA 93 2HB ALA 93 -8.876 -2.158 2.154 723 3HB ALA 93 3HB ALA 93 -8.480 -2.135 3.874 724 H TYR 94 H TYR 94 -9.593 -3.295 5.803 725 HA TYR 94 HA TYR 94 -7.390 -4.964 6.153 726 1HB TYR 94 2HB TYR 94 -9.435 -4.750 8.330 727 2HB TYR 94 1HB TYR 94 -7.682 -4.747 8.454 728 HD1 TYR 94 1HD TYR 94 -10.317 -2.788 9.147 729 HD2 TYR 94 2HD TYR 94 -6.761 -2.624 6.811 730 HE1 TYR 94 1HE TYR 94 -10.327 -0.335 9.314 731 HE2 TYR 94 2HE TYR 94 -6.763 -0.175 6.973 732 HH TYR 94 HH TYR 94 -9.394 1.568 8.600 733 H GLN 95 H GLN 95 -10.764 -5.641 5.973 734 HA GLN 95 HA GLN 95 -10.603 -8.345 6.905 735 1HB GLN 95 2HB GLN 95 -12.680 -7.343 7.264 736 2HB GLN 95 1HB GLN 95 -12.726 -6.626 5.663 737 1HG GLN 95 2HG GLN 95 -12.728 -9.345 5.157 738 2HG GLN 95 1HG GLN 95 -13.731 -9.179 6.595 739 1HE2 GLN 95 1HE2 GLN 95 -13.254 -7.044 3.811 740 2HE2 GLN 95 2HE2 GLN 95 -14.917 -6.995 3.342 741 H GLN 96 H GLN 96 -10.799 -6.764 3.744 742 HA GLN 96 HA GLN 96 -10.751 -9.285 2.361 743 1HB GLN 96 2HB GLN 96 -10.834 -7.977 0.330 744 2HB GLN 96 1HB GLN 96 -12.055 -7.410 1.461 745 1HG GLN 96 2HG GLN 96 -10.148 -5.726 2.130 746 2HG GLN 96 1HG GLN 96 -9.575 -6.076 0.505 747 1HE2 GLN 96 1HE2 GLN 96 -9.981 -3.908 -0.078 748 2HE2 GLN 96 2HE2 GLN 96 -11.584 -3.347 -0.394 749 H GLY 97 H GLY 97 -8.441 -7.048 3.542 750 1HA GLY 97 2HA GLY 97 -6.164 -8.273 3.387 751 2HA GLY 97 1HA GLY 97 -6.403 -8.005 1.666 752 H ALA 98 H ALA 98 -5.898 -6.450 4.764 753 HA ALA 98 HA ALA 98 -4.317 -4.404 3.609 754 1HB ALA 98 1HB ALA 98 -5.874 -2.929 3.073 755 2HB ALA 98 2HB ALA 98 -6.155 -2.722 4.802 756 3HB ALA 98 3HB ALA 98 -7.125 -3.865 3.880 757 H PHE 99 H PHE 99 -2.806 -3.928 5.023 758 HA PHE 99 HA PHE 99 -2.767 -4.887 7.641 759 1HB PHE 99 2HB PHE 99 -0.728 -4.297 6.389 760 2HB PHE 99 1HB PHE 99 -1.165 -2.593 6.478 761 HD1 PHE 99 1HD PHE 99 -1.033 -5.393 8.944 762 HD2 PHE 99 2HD PHE 99 0.186 -1.440 7.939 763 HE1 PHE 99 1HE PHE 99 0.141 -5.212 11.097 764 HE2 PHE 99 2HE PHE 99 1.363 -1.254 10.093 765 HZ PHE 99 HZ PHE 99 1.342 -3.142 11.675 766 H ASP 100 H ASP 100 -3.277 -1.538 6.495 767 HA ASP 100 HA ASP 100 -5.332 -0.864 8.192 768 1HB ASP 100 2HB ASP 100 -2.898 -1.159 9.662 769 2HB ASP 100 1HB ASP 100 -3.344 0.544 9.667 770 H TYR 101 H TYR 101 -4.994 1.659 8.932 771 HA TYR 101 HA TYR 101 -4.194 3.031 6.456 772 1HB TYR 101 2HB TYR 101 -6.549 3.331 8.236 773 2HB TYR 101 1HB TYR 101 -5.862 4.817 7.587 774 HD1 TYR 101 1HD TYR 101 -7.288 1.534 6.620 775 HD2 TYR 101 2HD TYR 101 -6.258 5.457 5.362 776 HE1 TYR 101 1HE TYR 101 -8.486 1.161 4.507 777 HE2 TYR 101 2HE TYR 101 -7.455 5.097 3.241 778 HH TYR 101 HH TYR 101 -8.973 3.746 2.187 779 H LEU 102 H LEU 102 -3.261 5.126 6.662 780 HA LEU 102 HA LEU 102 -1.740 5.413 9.149 781 1HB LEU 102 2HB LEU 102 -0.375 5.177 7.211 782 2HB LEU 102 1HB LEU 102 -1.294 6.384 6.337 783 HG LEU 102 HG LEU 102 -0.423 7.974 8.254 784 1HD1 LEU 102 1HD1 LEU 102 0.734 5.738 9.177 785 2HD1 LEU 102 2HD1 LEU 102 1.420 7.347 9.405 786 3HD1 LEU 102 3HD1 LEU 102 2.013 6.310 8.107 787 1HD2 LEU 102 1HD2 LEU 102 1.007 8.805 6.691 788 2HD2 LEU 102 2HD2 LEU 102 0.080 7.716 5.668 789 3HD2 LEU 102 3HD2 LEU 102 1.660 7.225 6.278 790 HA PRO 103 HA PRO 103 -4.004 9.023 10.318 791 1HB PRO 103 2HB PRO 103 -1.540 10.072 11.534 792 2HB PRO 103 1HB PRO 103 -3.058 9.607 12.301 793 1HG PRO 103 2HG PRO 103 -0.827 8.139 12.577 794 2HG PRO 103 1HG PRO 103 -2.435 7.393 12.495 795 1HD PRO 103 2HD PRO 103 -0.343 7.633 10.363 796 2HD PRO 103 1HD PRO 103 -1.387 6.254 10.768 797 H LYS 104 H LYS 104 -2.904 11.570 10.787 798 HA LYS 104 HA LYS 104 -3.141 12.766 8.295 799 1HB LYS 104 2HB LYS 104 -3.054 13.675 10.856 800 2HB LYS 104 1HB LYS 104 -1.516 14.262 10.240 801 1HG LYS 104 2HG LYS 104 -2.729 16.021 9.577 802 2HG LYS 104 1HG LYS 104 -3.155 14.977 8.220 803 1HD LYS 104 2HD LYS 104 -5.262 15.490 8.843 804 2HD LYS 104 1HD LYS 104 -5.006 14.192 10.010 805 1HE LYS 104 2HE LYS 104 -5.950 16.158 11.092 806 2HE LYS 104 1HE LYS 104 -4.323 15.838 11.687 807 1HZ LYS 104 1HZ LYS 104 -4.849 17.775 9.511 808 2HZ LYS 104 2HZ LYS 104 -3.461 17.626 10.467 809 3HZ LYS 104 3HZ LYS 104 -4.890 18.223 11.143 810 HA PRO 105 HA PRO 105 1.767 13.347 8.326 811 1HB PRO 105 2HB PRO 105 2.368 10.830 9.807 812 2HB PRO 105 1HB PRO 105 3.232 12.372 9.810 813 1HG PRO 105 2HG PRO 105 1.704 11.694 11.871 814 2HG PRO 105 1HG PRO 105 1.730 13.365 11.275 815 1HD PRO 105 2HD PRO 105 -0.337 11.245 10.887 816 2HD PRO 105 1HD PRO 105 -0.546 12.986 11.144 817 H PHE 106 H PHE 106 3.292 12.159 6.936 818 HA PHE 106 HA PHE 106 2.514 9.605 5.900 819 1HB PHE 106 2HB PHE 106 0.945 11.086 4.696 820 2HB PHE 106 1HB PHE 106 2.309 11.998 4.060 821 HD1 PHE 106 1HD PHE 106 1.143 8.461 4.265 822 HD2 PHE 106 2HD PHE 106 3.013 11.478 1.924 823 HE1 PHE 106 1HE PHE 106 1.283 6.895 2.377 824 HE2 PHE 106 2HE PHE 106 3.156 9.919 0.026 825 HZ PHE 106 HZ PHE 106 2.289 7.624 0.252 826 H ASP 107 H ASP 107 4.055 11.629 3.575 827 HA ASP 107 HA ASP 107 6.129 11.405 2.633 828 1HB ASP 107 2HB ASP 107 7.935 12.183 4.114 829 2HB ASP 107 1HB ASP 107 6.484 13.163 4.301 830 H ILE 108 H ILE 108 8.505 10.428 3.237 831 HA ILE 108 HA ILE 108 8.111 7.628 3.175 832 HB ILE 108 HB ILE 108 10.263 9.423 2.670 833 1HG1 ILE 108 2HG1 ILE 108 11.019 7.650 1.228 834 2HG1 ILE 108 1HG1 ILE 108 10.051 6.474 2.106 835 1HG2 ILE 108 1HG2 ILE 108 11.370 8.816 4.654 836 2HG2 ILE 108 2HG2 ILE 108 12.106 7.840 3.384 837 3HG2 ILE 108 3HG2 ILE 108 10.924 7.123 4.471 838 1HD1 ILE 108 1HD1 ILE 108 8.059 7.250 1.200 839 2HD1 ILE 108 2HD1 ILE 108 9.192 7.331 -0.151 840 3HD1 ILE 108 3HD1 ILE 108 8.766 8.798 0.730 841 H ASP 109 H ASP 109 9.249 9.819 5.633 842 HA ASP 109 HA ASP 109 10.191 8.081 7.539 843 1HB ASP 109 2HB ASP 109 10.118 10.633 7.588 844 2HB ASP 109 1HB ASP 109 8.494 10.464 8.251 845 H GLU 110 H GLU 110 6.828 9.305 7.447 846 HA GLU 110 HA GLU 110 5.978 7.397 9.374 847 1HB GLU 110 2HB GLU 110 4.362 9.279 7.652 848 2HB GLU 110 1HB GLU 110 3.707 8.298 8.953 849 1HG GLU 110 2HG GLU 110 5.986 10.072 9.593 850 2HG GLU 110 1HG GLU 110 4.420 10.821 9.291 851 H ALA 111 H ALA 111 5.972 7.547 5.896 852 HA ALA 111 HA ALA 111 4.088 5.451 5.500 853 1HB ALA 111 1HB ALA 111 6.121 6.778 3.751 854 2HB ALA 111 2HB ALA 111 4.364 6.752 3.601 855 3HB ALA 111 3HB ALA 111 5.305 5.313 3.210 856 H VAL 112 H VAL 112 7.647 5.531 5.257 857 HA VAL 112 HA VAL 112 7.963 2.769 4.940 858 HB VAL 112 HB VAL 112 9.934 4.667 6.205 859 1HG1 VAL 112 1HG1 VAL 112 10.998 2.468 4.647 860 2HG1 VAL 112 2HG1 VAL 112 10.009 1.904 5.994 861 3HG1 VAL 112 3HG1 VAL 112 11.381 2.975 6.292 862 1HG2 VAL 112 1HG2 VAL 112 10.089 5.628 4.207 863 2HG2 VAL 112 2HG2 VAL 112 8.936 4.495 3.518 864 3HG2 VAL 112 3HG2 VAL 112 10.652 4.094 3.552 865 H ALA 113 H ALA 113 7.629 4.787 7.728 866 HA ALA 113 HA ALA 113 8.441 3.006 9.736 867 1HB ALA 113 1HB ALA 113 6.340 5.166 9.880 868 2HB ALA 113 2HB ALA 113 8.076 5.416 10.073 869 3HB ALA 113 3HB ALA 113 7.191 4.441 11.247 870 H LEU 114 H LEU 114 5.262 3.666 8.342 871 HA LEU 114 HA LEU 114 3.932 1.699 9.904 872 1HB LEU 114 2HB LEU 114 2.811 3.713 9.073 873 2HB LEU 114 1HB LEU 114 3.037 3.163 7.422 874 HG LEU 114 HG LEU 114 1.591 1.198 7.926 875 1HD1 LEU 114 1HD1 LEU 114 1.620 0.769 10.169 876 2HD1 LEU 114 2HD1 LEU 114 0.117 1.684 10.055 877 3HD1 LEU 114 3HD1 LEU 114 1.593 2.475 10.609 878 1HD2 LEU 114 1HD2 LEU 114 -0.398 2.345 7.602 879 2HD2 LEU 114 2HD2 LEU 114 0.813 3.501 7.047 880 3HD2 LEU 114 3HD2 LEU 114 0.087 3.682 8.644 881 H VAL 115 H VAL 115 5.682 1.628 6.932 882 HA VAL 115 HA VAL 115 4.360 -0.720 5.949 883 HB VAL 115 HB VAL 115 5.511 1.056 4.502 884 1HG1 VAL 115 1HG1 VAL 115 7.684 1.357 4.806 885 2HG1 VAL 115 2HG1 VAL 115 7.934 -0.200 4.037 886 3HG1 VAL 115 3HG1 VAL 115 7.841 -0.086 5.788 887 1HG2 VAL 115 1HG2 VAL 115 5.213 -0.391 2.842 888 2HG2 VAL 115 2HG2 VAL 115 4.853 -1.583 4.089 889 3HG2 VAL 115 3HG2 VAL 115 6.486 -1.462 3.437 890 H GLU 116 H GLU 116 7.359 -0.047 7.672 891 HA GLU 116 HA GLU 116 8.388 -2.687 7.497 892 1HB GLU 116 2HB GLU 116 8.967 -0.398 9.373 893 2HB GLU 116 1HB GLU 116 9.805 -1.942 9.470 894 1HG GLU 116 2HG GLU 116 10.712 -1.667 7.280 895 2HG GLU 116 1HG GLU 116 9.734 -0.228 7.003 896 H ARG 117 H ARG 117 6.339 -1.024 9.834 897 HA ARG 117 HA ARG 117 6.346 -3.043 11.798 898 1HB ARG 117 2HB ARG 117 4.327 -0.895 11.143 899 2HB ARG 117 1HB ARG 117 4.191 -1.955 12.539 900 1HG ARG 117 2HG ARG 117 6.500 -1.127 13.200 901 2HG ARG 117 1HG ARG 117 6.272 0.129 11.981 902 1HD ARG 117 2HD ARG 117 4.214 0.836 13.118 903 2HD ARG 117 1HD ARG 117 4.477 -0.402 14.345 904 HE ARG 117 HE ARG 117 6.772 1.101 14.328 905 1HH1 ARG 117 1HH1 ARG 117 3.378 1.736 14.833 906 2HH1 ARG 117 2HH1 ARG 117 3.659 3.062 15.911 907 1HH2 ARG 117 1HH2 ARG 117 7.142 2.843 15.745 908 2HH2 ARG 117 2HH2 ARG 117 5.797 3.691 16.428 909 H ALA 118 H ALA 118 4.733 -2.719 8.778 910 HA ALA 118 HA ALA 118 2.613 -4.546 9.245 911 1HB ALA 118 1HB ALA 118 2.727 -2.794 7.422 912 2HB ALA 118 2HB ALA 118 2.160 -4.389 6.928 913 3HB ALA 118 3HB ALA 118 3.813 -3.888 6.568 914 H ILE 119 H ILE 119 5.768 -4.838 7.611 915 HA ILE 119 HA ILE 119 5.498 -7.611 7.086 916 HB ILE 119 HB ILE 119 8.076 -6.066 7.269 917 1HG1 ILE 119 2HG1 ILE 119 6.777 -6.465 4.639 918 2HG1 ILE 119 1HG1 ILE 119 6.023 -5.277 5.698 919 1HG2 ILE 119 1HG2 ILE 119 7.272 -8.589 5.841 920 2HG2 ILE 119 2HG2 ILE 119 8.489 -8.397 7.103 921 3HG2 ILE 119 3HG2 ILE 119 8.764 -7.710 5.500 922 1HD1 ILE 119 1HD1 ILE 119 8.943 -5.256 5.004 923 2HD1 ILE 119 2HD1 ILE 119 8.007 -3.990 5.803 924 3HD1 ILE 119 3HD1 ILE 119 7.712 -4.367 4.105 925 H SER 120 H SER 120 6.784 -5.731 9.700 926 HA SER 120 HA SER 120 8.188 -7.813 11.007 927 1HB SER 120 2HB SER 120 7.207 -5.101 11.857 928 2HB SER 120 1HB SER 120 7.956 -6.200 13.017 929 HG SER 120 HG SER 120 9.501 -4.821 12.085 930 H HIS 121 H HIS 121 4.947 -6.436 11.426 931 HA HIS 121 HA HIS 121 4.202 -7.914 13.679 932 1HB HIS 121 2HB HIS 121 2.749 -6.441 11.544 933 2HB HIS 121 1HB HIS 121 1.816 -7.580 12.510 934 HD1 HIS 121 1HD HIS 121 4.188 -4.666 13.112 935 HD2 HIS 121 2HD HIS 121 0.853 -6.493 14.789 936 HE1 HIS 121 1HE HIS 121 3.558 -3.236 15.080 937 HE2 HIS 121 2HE HIS 121 1.524 -4.347 16.071 938 H TYR 122 H TYR 122 4.484 -8.836 10.373 939 HA TYR 122 HA TYR 122 2.758 -11.089 10.458 940 1HB TYR 122 2HB TYR 122 4.563 -9.857 8.539 941 2HB TYR 122 1HB TYR 122 4.599 -11.616 8.465 942 HD1 TYR 122 1HD TYR 122 3.189 -8.932 6.960 943 HD2 TYR 122 2HD TYR 122 2.004 -12.574 8.810 944 HE1 TYR 122 1HE TYR 122 1.111 -8.905 5.666 945 HE2 TYR 122 2HE TYR 122 -0.083 -12.564 7.510 946 HH TYR 122 HH TYR 122 -1.336 -9.997 6.072 947 H GLN 123 H GLN 123 6.291 -10.778 10.522 948 HA GLN 123 HA GLN 123 6.682 -13.543 11.110 949 1HB GLN 123 2HB GLN 123 9.046 -12.940 11.341 950 2HB GLN 123 1HB GLN 123 8.360 -12.255 9.875 951 1HG GLN 123 2HG GLN 123 7.975 -10.157 11.355 952 2HG GLN 123 1HG GLN 123 9.201 -10.889 12.389 953 1HE2 GLN 123 1HE2 GLN 123 11.259 -11.433 11.359 954 2HE2 GLN 123 2HE2 GLN 123 11.849 -10.416 10.094 955 H GLU 124 H GLU 124 8.589 -13.582 13.083 956 HA GLU 124 HA GLU 124 8.629 -14.007 15.332 957 1HB GLU 124 2HB GLU 124 8.779 -12.021 16.667 958 2HB GLU 124 1HB GLU 124 9.485 -11.679 15.095 959 1HG GLU 124 2HG GLU 124 7.987 -10.086 14.637 960 2HG GLU 124 1HG GLU 124 6.645 -11.023 15.286 Start of MODEL 24 1 1H MET 1 1HT MET 1 9.264 -14.482 -3.308 2 2H MET 1 2HT MET 1 9.576 -13.032 -2.445 3 3H MET 1 3HT MET 1 8.410 -13.050 -3.701 4 HA MET 1 HA MET 1 6.944 -13.319 -2.126 5 1HB MET 1 2HB MET 1 8.282 -16.019 -2.252 6 2HB MET 1 1HB MET 1 6.824 -15.748 -1.309 7 1HG MET 1 2HG MET 1 5.619 -16.117 -3.121 8 2HG MET 1 1HG MET 1 6.321 -14.678 -3.856 9 1HE MET 1 1HE MET 1 7.518 -14.862 -6.182 10 2HE MET 1 2HE MET 1 5.903 -15.573 -6.170 11 3HE MET 1 3HE MET 1 7.223 -16.395 -7.003 12 H GLN 2 H GLN 2 10.137 -14.316 -1.033 13 HA GLN 2 HA GLN 2 9.378 -13.514 1.695 14 1HB GLN 2 2HB GLN 2 9.904 -15.938 1.448 15 2HB GLN 2 1HB GLN 2 11.532 -15.486 0.956 16 1HG GLN 2 2HG GLN 2 11.639 -14.218 3.180 17 2HG GLN 2 1HG GLN 2 10.227 -15.174 3.629 18 1HE2 GLN 2 1HE2 GLN 2 10.514 -17.583 3.184 19 2HE2 GLN 2 2HE2 GLN 2 12.024 -18.265 3.667 20 H ARG 3 H ARG 3 11.568 -13.068 -0.918 21 HA ARG 3 HA ARG 3 13.762 -11.948 0.411 22 1HB ARG 3 2HB ARG 3 14.109 -10.707 -1.786 23 2HB ARG 3 1HB ARG 3 14.055 -12.462 -1.868 24 1HG ARG 3 2HG ARG 3 11.416 -11.386 -2.211 25 2HG ARG 3 1HG ARG 3 12.540 -10.629 -3.343 26 1HD ARG 3 2HD ARG 3 13.252 -12.786 -4.144 27 2HD ARG 3 1HD ARG 3 12.257 -13.602 -2.941 28 HE ARG 3 HE ARG 3 10.359 -12.357 -4.194 29 1HH1 ARG 3 1HH1 ARG 3 13.208 -13.774 -5.638 30 2HH1 ARG 3 2HH1 ARG 3 12.436 -14.085 -7.154 31 1HH2 ARG 3 1HH2 ARG 3 9.343 -12.774 -6.186 32 2HH2 ARG 3 2HH2 ARG 3 10.243 -13.518 -7.467 33 H GLY 4 H GLY 4 10.591 -10.816 0.205 34 1HA GLY 4 2HA GLY 4 9.759 -8.931 1.309 35 2HA GLY 4 1HA GLY 4 11.392 -8.278 1.377 36 H ILE 5 H ILE 5 8.457 -8.440 -0.400 37 HA ILE 5 HA ILE 5 9.606 -6.613 -2.405 38 HB ILE 5 HB ILE 5 7.196 -8.329 -2.914 39 1HG1 ILE 5 2HG1 ILE 5 8.831 -9.976 -2.463 40 2HG1 ILE 5 1HG1 ILE 5 8.833 -9.807 -4.215 41 1HG2 ILE 5 1HG2 ILE 5 8.102 -6.228 -4.281 42 2HG2 ILE 5 2HG2 ILE 5 7.317 -7.603 -5.056 43 3HG2 ILE 5 3HG2 ILE 5 9.078 -7.487 -5.034 44 1HD1 ILE 5 1HD1 ILE 5 10.971 -9.451 -2.340 45 2HD1 ILE 5 2HD1 ILE 5 10.731 -7.987 -3.289 46 3HD1 ILE 5 3HD1 ILE 5 11.022 -9.523 -4.102 47 H VAL 6 H VAL 6 8.928 -4.610 -2.015 48 HA VAL 6 HA VAL 6 6.200 -4.233 -0.990 49 HB VAL 6 HB VAL 6 7.953 -3.212 0.394 50 1HG1 VAL 6 1HG1 VAL 6 9.709 -2.697 -1.029 51 2HG1 VAL 6 2HG1 VAL 6 9.035 -1.113 -0.656 52 3HG1 VAL 6 3HG1 VAL 6 8.668 -1.886 -2.188 53 1HG2 VAL 6 1HG2 VAL 6 5.619 -2.179 -0.105 54 2HG2 VAL 6 2HG2 VAL 6 6.549 -0.940 -0.946 55 3HG2 VAL 6 3HG2 VAL 6 6.819 -1.231 0.772 56 H TRP 7 H TRP 7 4.700 -3.405 -2.260 57 HA TRP 7 HA TRP 7 5.571 -2.101 -4.746 58 1HB TRP 7 2HB TRP 7 3.253 -3.930 -4.173 59 2HB TRP 7 1HB TRP 7 3.231 -2.843 -5.561 60 HD1 TRP 7 HD1 TRP 7 6.658 -4.116 -4.856 61 HE1 TRP 7 1HE TRP 7 7.306 -5.926 -6.548 62 HE3 TRP 7 3HE TRP 7 2.069 -4.940 -6.937 63 HZ2 TRP 7 2HZ TRP 7 6.041 -7.514 -8.501 64 HZ3 TRP 7 3HZ TRP 7 1.874 -6.628 -8.716 65 HH2 TRP 7 HH2 TRP 7 3.821 -7.888 -9.481 66 H VAL 8 H VAL 8 5.061 -0.058 -4.988 67 HA VAL 8 HA VAL 8 3.029 1.087 -3.189 68 HB VAL 8 HB VAL 8 5.004 2.911 -4.410 69 1HG1 VAL 8 1HG1 VAL 8 3.447 2.626 -1.918 70 2HG1 VAL 8 2HG1 VAL 8 3.753 4.050 -2.910 71 3HG1 VAL 8 3HG1 VAL 8 4.990 3.471 -1.796 72 1HG2 VAL 8 1HG2 VAL 8 6.789 1.634 -3.896 73 2HG2 VAL 8 2HG2 VAL 8 5.858 0.575 -2.838 74 3HG2 VAL 8 3HG2 VAL 8 6.449 2.122 -2.235 75 H VAL 9 H VAL 9 1.413 2.318 -4.019 76 HA VAL 9 HA VAL 9 1.481 2.772 -6.929 77 HB VAL 9 HB VAL 9 -1.008 2.766 -6.858 78 1HG1 VAL 9 1HG1 VAL 9 -0.727 0.700 -7.629 79 2HG1 VAL 9 2HG1 VAL 9 -0.735 0.099 -5.973 80 3HG1 VAL 9 3HG1 VAL 9 0.786 0.553 -6.739 81 1HG2 VAL 9 1HG2 VAL 9 -0.619 1.672 -4.083 82 2HG2 VAL 9 2HG2 VAL 9 -2.145 1.751 -4.958 83 3HG2 VAL 9 3HG2 VAL 9 -1.322 3.235 -4.493 84 H ASP 10 H ASP 10 1.907 4.801 -7.344 85 HA ASP 10 HA ASP 10 0.274 6.928 -6.323 86 1HB ASP 10 2HB ASP 10 2.316 6.354 -4.674 87 2HB ASP 10 1HB ASP 10 3.154 7.421 -5.793 88 H ASP 11 H ASP 11 2.124 9.017 -6.929 89 HA ASP 11 HA ASP 11 1.757 9.177 -9.722 90 1HB ASP 11 2HB ASP 11 3.529 10.920 -8.006 91 2HB ASP 11 1HB ASP 11 2.847 11.326 -9.578 92 H ASP 12 H ASP 12 3.994 7.350 -8.142 93 HA ASP 12 HA ASP 12 5.855 6.239 -8.855 94 1HB ASP 12 2HB ASP 12 4.451 6.616 -11.130 95 2HB ASP 12 1HB ASP 12 5.904 7.525 -11.529 96 H SER 13 H SER 13 7.826 7.254 -10.783 97 HA SER 13 HA SER 13 9.872 8.230 -10.435 98 1HB SER 13 2HB SER 13 9.738 10.513 -11.147 99 2HB SER 13 1HB SER 13 8.467 9.586 -11.950 100 HG SER 13 HG SER 13 7.003 10.405 -10.393 101 H SER 14 H SER 14 8.428 10.996 -8.933 102 HA SER 14 HA SER 14 10.296 11.224 -6.914 103 1HB SER 14 2HB SER 14 8.531 12.922 -7.734 104 2HB SER 14 1HB SER 14 7.469 12.183 -6.536 105 HG SER 14 HG SER 14 10.034 13.253 -5.965 106 H ILE 15 H ILE 15 6.947 10.018 -6.515 107 HA ILE 15 HA ILE 15 7.263 9.233 -3.844 108 HB ILE 15 HB ILE 15 5.379 7.960 -5.824 109 1HG1 ILE 15 2HG1 ILE 15 5.169 10.414 -5.898 110 2HG1 ILE 15 1HG1 ILE 15 3.749 9.668 -5.177 111 1HG2 ILE 15 1HG2 ILE 15 3.962 7.778 -3.723 112 2HG2 ILE 15 2HG2 ILE 15 5.430 8.171 -2.827 113 3HG2 ILE 15 3HG2 ILE 15 5.369 6.718 -3.825 114 1HD1 ILE 15 1HD1 ILE 15 4.965 11.791 -4.134 115 2HD1 ILE 15 2HD1 ILE 15 5.880 10.521 -3.323 116 3HD1 ILE 15 3HD1 ILE 15 4.126 10.590 -3.154 117 H ARG 16 H ARG 16 8.175 7.714 -6.807 118 HA ARG 16 HA ARG 16 8.484 5.079 -5.714 119 1HB ARG 16 2HB ARG 16 8.064 5.337 -8.089 120 2HB ARG 16 1HB ARG 16 9.506 6.321 -8.274 121 1HG ARG 16 2HG ARG 16 10.902 4.404 -7.687 122 2HG ARG 16 1HG ARG 16 9.457 3.411 -7.497 123 1HD ARG 16 2HD ARG 16 8.976 3.475 -9.793 124 2HD ARG 16 1HD ARG 16 10.060 4.839 -10.066 125 HE ARG 16 HE ARG 16 11.357 2.441 -9.121 126 1HH1 ARG 16 1HH1 ARG 16 10.324 4.258 -11.915 127 2HH1 ARG 16 2HH1 ARG 16 11.448 3.490 -12.986 128 1HH2 ARG 16 1HH2 ARG 16 12.836 1.431 -10.522 129 2HH2 ARG 16 2HH2 ARG 16 12.873 1.882 -12.195 130 H TRP 17 H TRP 17 10.652 7.759 -6.517 131 HA TRP 17 HA TRP 17 13.043 6.450 -5.858 132 1HB TRP 17 2HB TRP 17 12.985 8.487 -7.213 133 2HB TRP 17 1HB TRP 17 12.448 9.409 -5.812 134 HD1 TRP 17 HD1 TRP 17 15.524 7.383 -6.991 135 HE1 TRP 17 1HE TRP 17 17.608 8.335 -5.820 136 HE3 TRP 17 3HE TRP 17 13.252 10.808 -3.951 137 HZ2 TRP 17 2HZ TRP 17 18.211 10.287 -3.867 138 HZ3 TRP 17 3HZ TRP 17 14.653 12.178 -2.463 139 HH2 TRP 17 HH2 TRP 17 17.081 11.922 -2.422 140 H VAL 18 H VAL 18 10.861 8.430 -3.884 141 HA VAL 18 HA VAL 18 12.561 8.489 -1.623 142 HB VAL 18 HB VAL 18 9.581 8.768 -1.451 143 1HG1 VAL 18 1HG1 VAL 18 11.439 8.863 0.488 144 2HG1 VAL 18 2HG1 VAL 18 9.944 9.797 0.529 145 3HG1 VAL 18 3HG1 VAL 18 11.440 10.553 -0.013 146 1HG2 VAL 18 1HG2 VAL 18 9.653 10.411 -2.952 147 2HG2 VAL 18 2HG2 VAL 18 11.414 10.366 -3.024 148 3HG2 VAL 18 3HG2 VAL 18 10.606 11.326 -1.784 149 H LEU 19 H LEU 19 9.975 6.354 -2.601 150 HA LEU 19 HA LEU 19 10.044 4.911 -0.123 151 1HB LEU 19 2HB LEU 19 8.092 5.307 -1.937 152 2HB LEU 19 1HB LEU 19 8.657 3.724 -2.435 153 HG LEU 19 HG LEU 19 6.761 3.553 -0.904 154 1HD1 LEU 19 1HD1 LEU 19 8.360 1.745 -0.885 155 2HD1 LEU 19 2HD1 LEU 19 7.773 2.033 0.752 156 3HD1 LEU 19 3HD1 LEU 19 9.367 2.610 0.275 157 1HD2 LEU 19 1HD2 LEU 19 7.088 5.607 0.346 158 2HD2 LEU 19 2HD2 LEU 19 8.558 4.955 1.069 159 3HD2 LEU 19 3HD2 LEU 19 6.996 4.227 1.440 160 H GLU 20 H GLU 20 11.397 4.571 -3.299 161 HA GLU 20 HA GLU 20 11.986 1.829 -3.090 162 1HB GLU 20 2HB GLU 20 13.355 2.068 -5.028 163 2HB GLU 20 1HB GLU 20 11.916 3.043 -5.239 164 1HG GLU 20 2HG GLU 20 13.249 5.033 -4.616 165 2HG GLU 20 1HG GLU 20 14.680 4.003 -4.574 166 H ARG 21 H ARG 21 14.199 4.586 -2.838 167 HA ARG 21 HA ARG 21 16.406 3.137 -1.957 168 1HB ARG 21 2HB ARG 21 15.647 6.015 -1.474 169 2HB ARG 21 1HB ARG 21 17.223 5.340 -1.078 170 1HG ARG 21 2HG ARG 21 16.461 4.733 -3.799 171 2HG ARG 21 1HG ARG 21 16.450 6.470 -3.490 172 1HD ARG 21 2HD ARG 21 18.749 6.008 -2.368 173 2HD ARG 21 1HD ARG 21 18.711 4.520 -3.310 174 HE ARG 21 HE ARG 21 18.597 5.895 -5.311 175 1HH1 ARG 21 1HH1 ARG 21 19.572 7.502 -2.360 176 2HH1 ARG 21 2HH1 ARG 21 20.375 8.791 -3.188 177 1HH2 ARG 21 1HH2 ARG 21 19.661 7.591 -6.389 178 2HH2 ARG 21 2HH2 ARG 21 20.425 8.843 -5.469 179 H ALA 22 H ALA 22 14.093 4.993 0.046 180 HA ALA 22 HA ALA 22 15.184 4.374 2.514 181 1HB ALA 22 1HB ALA 22 12.497 4.484 3.057 182 2HB ALA 22 2HB ALA 22 12.634 5.388 1.549 183 3HB ALA 22 3HB ALA 22 13.582 5.869 2.955 184 H LEU 23 H LEU 23 12.560 2.700 0.870 185 HA LEU 23 HA LEU 23 12.369 0.609 2.759 186 1HB LEU 23 2HB LEU 23 10.643 1.333 1.041 187 2HB LEU 23 1HB LEU 23 11.588 0.445 -0.138 188 HG LEU 23 HG LEU 23 9.543 -0.695 0.921 189 1HD1 LEU 23 1HD1 LEU 23 12.176 -2.144 0.953 190 2HD1 LEU 23 2HD1 LEU 23 11.259 -1.763 -0.500 191 3HD1 LEU 23 3HD1 LEU 23 10.576 -2.839 0.715 192 1HD2 LEU 23 1HD2 LEU 23 10.051 -0.160 3.245 193 2HD2 LEU 23 2HD2 LEU 23 11.545 -1.094 3.139 194 3HD2 LEU 23 3HD2 LEU 23 9.986 -1.903 2.990 195 H ALA 24 H ALA 24 14.388 1.172 0.012 196 HA ALA 24 HA ALA 24 15.256 -1.496 -0.377 197 1HB ALA 24 1HB ALA 24 16.417 1.176 -1.126 198 2HB ALA 24 2HB ALA 24 15.660 -0.026 -2.173 199 3HB ALA 24 3HB ALA 24 17.252 -0.337 -1.478 200 H GLY 25 H GLY 25 16.201 1.165 1.712 201 1HA GLY 25 2HA GLY 25 18.640 0.114 2.658 202 2HA GLY 25 1HA GLY 25 17.597 1.231 3.536 203 H ALA 26 H ALA 26 15.322 -0.685 3.328 204 HA ALA 26 HA ALA 26 15.863 -2.131 5.736 205 1HB ALA 26 1HB ALA 26 13.488 -3.044 5.217 206 2HB ALA 26 2HB ALA 26 13.468 -1.782 3.985 207 3HB ALA 26 3HB ALA 26 13.684 -1.355 5.681 208 H GLY 27 H GLY 27 16.191 -2.768 2.404 209 1HA GLY 27 2HA GLY 27 17.369 -4.662 1.618 210 2HA GLY 27 1HA GLY 27 16.832 -5.549 3.030 211 H LEU 28 H LEU 28 14.451 -3.750 1.175 212 HA LEU 28 HA LEU 28 13.594 -6.303 0.017 213 1HB LEU 28 2HB LEU 28 11.543 -4.283 0.664 214 2HB LEU 28 1HB LEU 28 11.424 -6.024 0.663 215 HG LEU 28 HG LEU 28 13.094 -5.725 2.729 216 1HD1 LEU 28 1HD1 LEU 28 13.284 -3.399 2.778 217 2HD1 LEU 28 2HD1 LEU 28 12.133 -3.783 4.060 218 3HD1 LEU 28 3HD1 LEU 28 11.558 -3.172 2.512 219 1HD2 LEU 28 1HD2 LEU 28 10.486 -6.495 2.361 220 2HD2 LEU 28 2HD2 LEU 28 10.343 -5.202 3.554 221 3HD2 LEU 28 3HD2 LEU 28 11.379 -6.592 3.879 222 H THR 29 H THR 29 12.019 -6.047 -1.817 223 HA THR 29 HA THR 29 13.161 -4.179 -3.724 224 HB THR 29 HB THR 29 11.028 -6.294 -4.063 225 HG1 THR 29 1HG THR 29 13.645 -6.390 -5.094 226 1HG2 THR 29 1HG2 THR 29 12.076 -5.930 -6.528 227 2HG2 THR 29 2HG2 THR 29 12.056 -4.276 -5.914 228 3HG2 THR 29 3HG2 THR 29 10.566 -5.218 -5.963 229 H CYS 30 H CYS 30 12.164 -2.453 -4.641 230 HA CYS 30 HA CYS 30 9.429 -1.832 -3.738 231 1HB CYS 30 2HB CYS 30 11.040 0.528 -4.232 232 2HB CYS 30 1HB CYS 30 10.076 0.102 -2.824 233 HG CYS 30 HG CYS 30 12.992 0.157 -2.812 234 H THR 31 H THR 31 8.090 -1.758 -5.378 235 HA THR 31 HA THR 31 8.986 -0.493 -7.873 236 HB THR 31 HB THR 31 8.742 -3.098 -7.968 237 HG1 THR 31 1HG THR 31 8.290 -1.188 -9.730 238 1HG2 THR 31 1HG2 THR 31 6.237 -2.641 -6.986 239 2HG2 THR 31 2HG2 THR 31 6.762 -4.083 -7.853 240 3HG2 THR 31 3HG2 THR 31 5.955 -2.781 -8.720 241 H THR 32 H THR 32 7.608 1.060 -8.587 242 HA THR 32 HA THR 32 5.135 1.381 -7.067 243 HB THR 32 HB THR 32 5.288 3.785 -7.719 244 HG1 THR 32 1HG THR 32 6.740 4.344 -9.106 245 1HG2 THR 32 1HG2 THR 32 7.882 3.391 -6.468 246 2HG2 THR 32 2HG2 THR 32 6.584 2.482 -5.700 247 3HG2 THR 32 3HG2 THR 32 6.452 4.235 -5.876 248 H PHE 33 H PHE 33 3.359 2.522 -8.193 249 HA PHE 33 HA PHE 33 3.219 1.793 -11.031 250 1HB PHE 33 2HB PHE 33 1.115 1.205 -8.949 251 2HB PHE 33 1HB PHE 33 0.976 0.900 -10.672 252 HD1 PHE 33 1HD PHE 33 1.325 -1.264 -11.354 253 HD2 PHE 33 2HD PHE 33 3.365 0.155 -7.905 254 HE1 PHE 33 1HE PHE 33 2.317 -3.478 -11.036 255 HE2 PHE 33 2HE PHE 33 4.383 -2.055 -7.591 256 HZ PHE 33 HZ PHE 33 3.830 -3.902 -9.164 257 H GLU 34 H GLU 34 1.122 2.666 -12.027 258 HA GLU 34 HA GLU 34 1.151 5.475 -11.839 259 1HB GLU 34 2HB GLU 34 -0.426 5.484 -13.562 260 2HB GLU 34 1HB GLU 34 0.435 3.974 -13.821 261 1HG GLU 34 2HG GLU 34 -1.831 3.539 -12.100 262 2HG GLU 34 1HG GLU 34 -2.329 4.364 -13.572 263 H ASN 35 H ASN 35 -0.843 3.028 -10.357 264 HA ASN 35 HA ASN 35 -1.709 4.653 -8.260 265 1HB ASN 35 2HB ASN 35 -4.020 5.083 -8.809 266 2HB ASN 35 1HB ASN 35 -3.018 5.746 -10.094 267 1HD2 ASN 35 1HD2 ASN 35 -5.539 5.411 -10.729 268 2HD2 ASN 35 2HD2 ASN 35 -5.777 4.030 -11.740 269 H GLY 36 H GLY 36 -3.841 3.572 -7.255 270 1HA GLY 36 2HA GLY 36 -3.122 1.015 -6.469 271 2HA GLY 36 1HA GLY 36 -4.727 1.694 -6.285 272 H ASN 37 H ASN 37 -4.464 1.830 -9.492 273 HA ASN 37 HA ASN 37 -5.876 -0.643 -9.822 274 1HB ASN 37 2HB ASN 37 -5.502 1.798 -11.449 275 2HB ASN 37 1HB ASN 37 -5.875 0.307 -12.307 276 1HD2 ASN 37 1HD2 ASN 37 -7.584 -0.958 -10.633 277 2HD2 ASN 37 2HD2 ASN 37 -9.021 -0.027 -10.421 278 H GLU 38 H GLU 38 -2.870 0.756 -11.111 279 HA GLU 38 HA GLU 38 -2.177 -1.191 -12.926 280 1HB GLU 38 2HB GLU 38 -0.985 1.022 -12.039 281 2HB GLU 38 1HB GLU 38 -0.042 -0.159 -11.160 282 1HG GLU 38 2HG GLU 38 0.441 -1.294 -13.328 283 2HG GLU 38 1HG GLU 38 -0.344 0.059 -14.140 284 H VAL 39 H VAL 39 -1.066 -1.147 -9.501 285 HA VAL 39 HA VAL 39 0.288 -3.531 -9.447 286 HB VAL 39 HB VAL 39 -1.427 -2.304 -7.289 287 1HG1 VAL 39 1HG1 VAL 39 0.138 -3.790 -5.820 288 2HG1 VAL 39 2HG1 VAL 39 0.222 -4.792 -7.266 289 3HG1 VAL 39 3HG1 VAL 39 -1.335 -4.466 -6.506 290 1HG2 VAL 39 1HG2 VAL 39 1.568 -2.414 -7.543 291 2HG2 VAL 39 2HG2 VAL 39 0.617 -1.471 -6.398 292 3HG2 VAL 39 3HG2 VAL 39 0.585 -1.067 -8.115 293 H LEU 40 H LEU 40 -3.178 -3.025 -9.239 294 HA LEU 40 HA LEU 40 -3.988 -5.592 -8.512 295 1HB LEU 40 2HB LEU 40 -5.489 -3.842 -10.446 296 2HB LEU 40 1HB LEU 40 -6.145 -4.993 -9.293 297 HG LEU 40 HG LEU 40 -4.791 -2.392 -8.602 298 1HD1 LEU 40 1HD1 LEU 40 -7.386 -2.442 -7.598 299 2HD1 LEU 40 2HD1 LEU 40 -7.517 -3.016 -9.258 300 3HD1 LEU 40 3HD1 LEU 40 -6.772 -1.459 -8.915 301 1HD2 LEU 40 1HD2 LEU 40 -5.443 -2.867 -6.307 302 2HD2 LEU 40 2HD2 LEU 40 -4.374 -4.123 -6.931 303 3HD2 LEU 40 3HD2 LEU 40 -6.108 -4.422 -6.808 304 H ALA 41 H ALA 41 -3.279 -4.232 -11.695 305 HA ALA 41 HA ALA 41 -3.960 -6.612 -13.118 306 1HB ALA 41 1HB ALA 41 -3.167 -5.525 -15.058 307 2HB ALA 41 2HB ALA 41 -2.146 -4.437 -14.116 308 3HB ALA 41 3HB ALA 41 -3.902 -4.263 -14.070 309 H ALA 42 H ALA 42 -0.946 -5.106 -12.126 310 HA ALA 42 HA ALA 42 0.815 -7.049 -13.134 311 1HB ALA 42 1HB ALA 42 1.846 -5.847 -10.715 312 2HB ALA 42 2HB ALA 42 1.045 -4.644 -11.726 313 3HB ALA 42 3HB ALA 42 2.353 -5.620 -12.390 314 H LEU 43 H LEU 43 -1.117 -6.949 -10.231 315 HA LEU 43 HA LEU 43 0.271 -8.898 -8.753 316 1HB LEU 43 2HB LEU 43 -2.496 -7.790 -8.655 317 2HB LEU 43 1HB LEU 43 -2.110 -9.218 -7.712 318 HG LEU 43 HG LEU 43 -0.485 -6.707 -7.477 319 1HD1 LEU 43 1HD1 LEU 43 -3.043 -7.440 -6.078 320 2HD1 LEU 43 2HD1 LEU 43 -2.687 -5.977 -6.997 321 3HD1 LEU 43 3HD1 LEU 43 -1.895 -6.258 -5.447 322 1HD2 LEU 43 1HD2 LEU 43 0.694 -7.963 -6.085 323 2HD2 LEU 43 2HD2 LEU 43 -0.376 -9.331 -6.373 324 3HD2 LEU 43 3HD2 LEU 43 -0.729 -8.190 -5.077 325 H ALA 44 H ALA 44 -1.930 -9.160 -11.393 326 HA ALA 44 HA ALA 44 -2.944 -11.727 -10.998 327 1HB ALA 44 1HB ALA 44 -4.036 -11.097 -12.820 328 2HB ALA 44 2HB ALA 44 -2.585 -11.442 -13.762 329 3HB ALA 44 3HB ALA 44 -2.863 -9.819 -13.133 330 H SER 45 H SER 45 0.268 -10.790 -11.671 331 HA SER 45 HA SER 45 0.937 -13.557 -12.303 332 1HB SER 45 2HB SER 45 1.634 -11.104 -13.722 333 2HB SER 45 1HB SER 45 3.032 -12.114 -13.354 334 HG SER 45 HG SER 45 0.663 -12.978 -14.661 335 H LYS 46 H LYS 46 1.190 -11.230 -9.981 336 HA LYS 46 HA LYS 46 3.225 -12.667 -8.598 337 1HB LYS 46 2HB LYS 46 4.241 -10.781 -10.268 338 2HB LYS 46 1HB LYS 46 4.023 -9.838 -8.800 339 1HG LYS 46 2HG LYS 46 5.230 -12.339 -8.135 340 2HG LYS 46 1HG LYS 46 6.131 -11.584 -9.451 341 1HD LYS 46 2HD LYS 46 5.747 -9.451 -7.843 342 2HD LYS 46 1HD LYS 46 5.805 -10.741 -6.642 343 1HE LYS 46 2HE LYS 46 8.003 -11.094 -6.948 344 2HE LYS 46 1HE LYS 46 7.887 -10.911 -8.698 345 1HZ LYS 46 1HZ LYS 46 7.457 -8.417 -7.445 346 2HZ LYS 46 2HZ LYS 46 8.672 -8.861 -8.533 347 3HZ LYS 46 3HZ LYS 46 8.901 -9.087 -6.873 348 H THR 47 H THR 47 3.585 -11.845 -6.409 349 HA THR 47 HA THR 47 1.565 -9.981 -5.459 350 HB THR 47 HB THR 47 2.019 -12.756 -4.361 351 HG1 THR 47 1HG THR 47 -0.078 -13.101 -4.988 352 1HG2 THR 47 1HG2 THR 47 0.279 -10.555 -3.279 353 2HG2 THR 47 2HG2 THR 47 1.658 -11.313 -2.482 354 3HG2 THR 47 3HG2 THR 47 0.195 -12.247 -2.786 355 HA PRO 48 HA PRO 48 5.325 -8.782 -3.264 356 1HB PRO 48 2HB PRO 48 4.486 -6.382 -2.402 357 2HB PRO 48 1HB PRO 48 4.927 -6.656 -4.093 358 1HG PRO 48 2HG PRO 48 2.215 -6.547 -2.838 359 2HG PRO 48 1HG PRO 48 2.765 -5.854 -4.372 360 1HD PRO 48 2HD PRO 48 1.376 -8.206 -4.173 361 2HD PRO 48 1HD PRO 48 2.490 -7.824 -5.500 362 H ASP 49 H ASP 49 5.859 -8.295 -0.996 363 HA ASP 49 HA ASP 49 4.199 -9.786 0.789 364 1HB ASP 49 2HB ASP 49 6.724 -8.189 1.209 365 2HB ASP 49 1HB ASP 49 5.904 -9.045 2.513 366 H VAL 50 H VAL 50 4.457 -6.451 -0.050 367 HA VAL 50 HA VAL 50 2.350 -5.813 1.861 368 HB VAL 50 HB VAL 50 4.424 -5.299 3.054 369 1HG1 VAL 50 1HG1 VAL 50 5.163 -3.104 1.243 370 2HG1 VAL 50 2HG1 VAL 50 5.491 -4.736 0.661 371 3HG1 VAL 50 3HG1 VAL 50 6.177 -4.188 2.187 372 1HG2 VAL 50 1HG2 VAL 50 3.852 -3.172 3.803 373 2HG2 VAL 50 2HG2 VAL 50 2.340 -3.808 3.163 374 3HG2 VAL 50 3HG2 VAL 50 3.283 -2.659 2.215 375 H LEU 51 H LEU 51 1.531 -3.492 1.425 376 HA LEU 51 HA LEU 51 2.029 -2.513 -1.260 377 1HB LEU 51 2HB LEU 51 0.184 -4.406 -1.173 378 2HB LEU 51 1HB LEU 51 -0.827 -3.097 -0.595 379 HG LEU 51 HG LEU 51 -0.511 -1.859 -2.634 380 1HD1 LEU 51 1HD1 LEU 51 1.397 -2.055 -3.740 381 2HD1 LEU 51 2HD1 LEU 51 0.822 -3.600 -4.360 382 3HD1 LEU 51 3HD1 LEU 51 1.799 -3.552 -2.898 383 1HD2 LEU 51 1HD2 LEU 51 -1.095 -4.019 -4.234 384 2HD2 LEU 51 2HD2 LEU 51 -2.254 -3.103 -3.273 385 3HD2 LEU 51 3HD2 LEU 51 -1.547 -4.584 -2.626 386 H LEU 52 H LEU 52 1.877 -0.376 -1.334 387 HA LEU 52 HA LEU 52 0.466 1.045 0.839 388 1HB LEU 52 2HB LEU 52 3.153 1.262 -0.180 389 2HB LEU 52 1HB LEU 52 2.309 2.778 -0.426 390 HG LEU 52 HG LEU 52 2.133 1.550 2.270 391 1HD1 LEU 52 1HD1 LEU 52 4.416 1.239 2.109 392 2HD1 LEU 52 2HD1 LEU 52 4.308 2.875 2.759 393 3HD1 LEU 52 3HD1 LEU 52 4.634 2.627 1.043 394 1HD2 LEU 52 1HD2 LEU 52 2.215 3.903 2.936 395 2HD2 LEU 52 2HD2 LEU 52 0.953 3.618 1.736 396 3HD2 LEU 52 3HD2 LEU 52 2.475 4.367 1.254 397 H SER 53 H SER 53 -1.222 2.323 0.203 398 HA SER 53 HA SER 53 -1.336 3.016 -2.652 399 1HB SER 53 2HB SER 53 -3.078 1.384 -1.388 400 2HB SER 53 1HB SER 53 -3.892 2.935 -1.204 401 HG SER 53 HG SER 53 -3.461 3.154 -3.561 402 H ASP 54 H ASP 54 -1.433 5.020 -3.221 403 HA ASP 54 HA ASP 54 -1.710 7.103 -1.231 404 1HB ASP 54 2HB ASP 54 0.006 7.267 -3.016 405 2HB ASP 54 1HB ASP 54 -1.274 7.321 -4.223 406 H ILE 55 H ILE 55 -3.763 7.354 -0.589 407 HA ILE 55 HA ILE 55 -6.051 6.994 -2.234 408 HB ILE 55 HB ILE 55 -6.256 6.692 0.142 409 1HG1 ILE 55 2HG1 ILE 55 -7.737 9.170 -0.773 410 2HG1 ILE 55 1HG1 ILE 55 -8.314 7.508 -0.800 411 1HG2 ILE 55 1HG2 ILE 55 -5.509 9.583 0.465 412 2HG2 ILE 55 2HG2 ILE 55 -4.423 8.223 0.733 413 3HG2 ILE 55 3HG2 ILE 55 -5.850 8.423 1.741 414 1HD1 ILE 55 1HD1 ILE 55 -9.370 8.673 0.997 415 2HD1 ILE 55 2HD1 ILE 55 -7.819 9.202 1.646 416 3HD1 ILE 55 3HD1 ILE 55 -8.258 7.492 1.672 417 H ARG 56 H ARG 56 -5.905 8.306 -4.052 418 HA ARG 56 HA ARG 56 -6.341 11.159 -3.538 419 1HB ARG 56 2HB ARG 56 -4.893 11.760 -5.420 420 2HB ARG 56 1HB ARG 56 -4.000 10.906 -4.170 421 1HG ARG 56 2HG ARG 56 -3.418 9.269 -5.562 422 2HG ARG 56 1HG ARG 56 -5.056 9.113 -6.199 423 1HD ARG 56 2HD ARG 56 -4.665 11.055 -7.648 424 2HD ARG 56 1HD ARG 56 -3.026 11.193 -7.016 425 HE ARG 56 HE ARG 56 -2.398 9.558 -8.470 426 1HH1 ARG 56 1HH1 ARG 56 -5.842 9.319 -7.980 427 2HH1 ARG 56 2HH1 ARG 56 -6.047 8.076 -9.164 428 1HH2 ARG 56 1HH2 ARG 56 -2.672 7.926 -10.035 429 2HH2 ARG 56 2HH2 ARG 56 -4.254 7.283 -10.329 430 H MET 57 H MET 57 -8.512 9.858 -3.865 431 HA MET 57 HA MET 57 -10.314 9.296 -5.147 432 1HB MET 57 2HB MET 57 -11.144 11.129 -6.483 433 2HB MET 57 1HB MET 57 -10.409 11.749 -5.011 434 1HG MET 57 2HG MET 57 -8.340 12.197 -6.363 435 2HG MET 57 1HG MET 57 -9.286 11.809 -7.798 436 1HE MET 57 1HE MET 57 -11.790 12.606 -7.637 437 2HE MET 57 2HE MET 57 -11.496 14.028 -8.636 438 3HE MET 57 3HE MET 57 -12.294 14.200 -7.073 439 HA PRO 58 HA PRO 58 -7.844 7.844 -8.914 440 1HB PRO 58 2HB PRO 58 -7.537 5.234 -8.199 441 2HB PRO 58 1HB PRO 58 -6.340 6.482 -7.837 442 1HG PRO 58 2HG PRO 58 -8.406 5.263 -6.059 443 2HG PRO 58 1HG PRO 58 -6.745 5.750 -5.685 444 1HD PRO 58 2HD PRO 58 -8.947 7.226 -5.032 445 2HD PRO 58 1HD PRO 58 -7.342 7.918 -5.299 446 H GLY 59 H GLY 59 -9.530 5.108 -7.441 447 1HA GLY 59 2HA GLY 59 -11.462 5.203 -9.659 448 2HA GLY 59 1HA GLY 59 -10.981 3.745 -8.801 449 H MET 60 H MET 60 -11.106 5.298 -6.231 450 HA MET 60 HA MET 60 -13.833 6.055 -5.857 451 1HB MET 60 2HB MET 60 -13.899 3.511 -5.931 452 2HB MET 60 1HB MET 60 -12.971 3.537 -4.437 453 1HG MET 60 2HG MET 60 -15.286 3.251 -3.915 454 2HG MET 60 1HG MET 60 -14.766 4.845 -3.376 455 1HE MET 60 1HE MET 60 -17.456 4.844 -3.119 456 2HE MET 60 2HE MET 60 -17.970 3.586 -4.242 457 3HE MET 60 3HE MET 60 -18.544 5.240 -4.450 458 H ASP 61 H ASP 61 -12.242 7.791 -5.281 459 HA ASP 61 HA ASP 61 -11.446 9.210 -3.700 460 1HB ASP 61 2HB ASP 61 -13.280 7.596 -2.307 461 2HB ASP 61 1HB ASP 61 -11.858 7.732 -1.278 462 H GLY 62 H GLY 62 -10.511 5.879 -3.577 463 1HA GLY 62 2HA GLY 62 -7.934 5.850 -3.780 464 2HA GLY 62 1HA GLY 62 -8.032 6.527 -2.161 465 H LEU 63 H LEU 63 -10.454 4.989 -1.547 466 HA LEU 63 HA LEU 63 -9.162 2.636 -0.581 467 1HB LEU 63 2HB LEU 63 -12.112 3.213 -0.474 468 2HB LEU 63 1HB LEU 63 -11.184 2.162 0.580 469 HG LEU 63 HG LEU 63 -9.930 4.459 1.117 470 1HD1 LEU 63 1HD1 LEU 63 -10.961 6.294 0.430 471 2HD1 LEU 63 2HD1 LEU 63 -12.450 5.784 1.222 472 3HD1 LEU 63 3HD1 LEU 63 -12.128 5.302 -0.443 473 1HD2 LEU 63 1HD2 LEU 63 -11.252 2.811 2.590 474 2HD2 LEU 63 2HD2 LEU 63 -12.580 3.953 2.413 475 3HD2 LEU 63 3HD2 LEU 63 -11.064 4.474 3.146 476 H ALA 64 H ALA 64 -10.700 3.451 -3.474 477 HA ALA 64 HA ALA 64 -12.092 1.161 -4.205 478 1HB ALA 64 1HB ALA 64 -10.488 2.202 -6.392 479 2HB ALA 64 2HB ALA 64 -11.274 3.480 -5.466 480 3HB ALA 64 3HB ALA 64 -12.239 2.191 -6.182 481 H LEU 65 H LEU 65 -8.680 1.683 -3.855 482 HA LEU 65 HA LEU 65 -7.653 -0.419 -5.397 483 1HB LEU 65 2HB LEU 65 -6.110 1.163 -4.583 484 2HB LEU 65 1HB LEU 65 -6.703 1.026 -2.941 485 HG LEU 65 HG LEU 65 -5.704 -1.521 -3.603 486 1HD1 LEU 65 1HD1 LEU 65 -4.536 -0.450 -5.490 487 2HD1 LEU 65 2HD1 LEU 65 -3.435 -1.111 -4.284 488 3HD1 LEU 65 3HD1 LEU 65 -3.732 0.624 -4.349 489 1HD2 LEU 65 1HD2 LEU 65 -3.838 0.035 -2.083 490 2HD2 LEU 65 2HD2 LEU 65 -4.901 -1.251 -1.543 491 3HD2 LEU 65 3HD2 LEU 65 -5.482 0.408 -1.575 492 H LEU 66 H LEU 66 -8.168 -0.345 -1.878 493 HA LEU 66 HA LEU 66 -7.722 -2.940 -1.204 494 1HB LEU 66 2HB LEU 66 -10.001 -1.277 -0.140 495 2HB LEU 66 1HB LEU 66 -9.219 -2.620 0.676 496 HG LEU 66 HG LEU 66 -7.584 -0.239 -0.109 497 1HD1 LEU 66 1HD1 LEU 66 -9.694 0.513 1.082 498 2HD1 LEU 66 2HD1 LEU 66 -8.157 0.985 1.806 499 3HD1 LEU 66 3HD1 LEU 66 -9.078 -0.351 2.488 500 1HD2 LEU 66 1HD2 LEU 66 -7.102 -1.373 2.487 501 2HD2 LEU 66 2HD2 LEU 66 -6.026 -1.253 1.096 502 3HD2 LEU 66 3HD2 LEU 66 -7.108 -2.635 1.256 503 H LYS 67 H LYS 67 -10.727 -1.630 -2.550 504 HA LYS 67 HA LYS 67 -12.339 -3.881 -2.377 505 1HB LYS 67 2HB LYS 67 -12.223 -1.675 -4.428 506 2HB LYS 67 1HB LYS 67 -13.444 -2.940 -4.482 507 1HG LYS 67 2HG LYS 67 -13.953 -2.247 -2.053 508 2HG LYS 67 1HG LYS 67 -13.064 -0.775 -2.454 509 1HD LYS 67 2HD LYS 67 -14.628 -0.711 -4.531 510 2HD LYS 67 1HD LYS 67 -15.640 -1.803 -3.582 511 1HE LYS 67 2HE LYS 67 -14.980 0.214 -1.802 512 2HE LYS 67 1HE LYS 67 -15.236 1.063 -3.326 513 1HZ LYS 67 1HZ LYS 67 -17.397 0.918 -2.922 514 2HZ LYS 67 2HZ LYS 67 -17.152 -0.072 -1.574 515 3HZ LYS 67 3HZ LYS 67 -17.300 -0.760 -3.113 516 H GLN 68 H GLN 68 -10.394 -2.898 -5.215 517 HA GLN 68 HA GLN 68 -10.836 -5.254 -6.677 518 1HB GLN 68 2HB GLN 68 -8.425 -3.459 -6.851 519 2HB GLN 68 1HB GLN 68 -9.021 -4.537 -8.103 520 1HG GLN 68 2HG GLN 68 -10.751 -2.334 -7.058 521 2HG GLN 68 1HG GLN 68 -9.500 -1.998 -8.254 522 1HE2 GLN 68 1HE2 GLN 68 -11.240 -1.350 -9.636 523 2HE2 GLN 68 2HE2 GLN 68 -12.144 -2.536 -10.507 524 H ILE 69 H ILE 69 -8.569 -4.489 -4.150 525 HA ILE 69 HA ILE 69 -6.695 -6.531 -4.597 526 HB ILE 69 HB ILE 69 -7.489 -5.216 -2.004 527 1HG1 ILE 69 2HG1 ILE 69 -5.050 -4.686 -3.696 528 2HG1 ILE 69 1HG1 ILE 69 -6.555 -3.796 -3.903 529 1HG2 ILE 69 1HG2 ILE 69 -5.920 -7.508 -2.353 530 2HG2 ILE 69 2HG2 ILE 69 -6.063 -6.525 -0.905 531 3HG2 ILE 69 3HG2 ILE 69 -4.781 -6.193 -2.067 532 1HD1 ILE 69 1HD1 ILE 69 -6.175 -2.534 -2.118 533 2HD1 ILE 69 2HD1 ILE 69 -4.514 -3.112 -2.228 534 3HD1 ILE 69 3HD1 ILE 69 -5.657 -3.906 -1.149 535 H LYS 70 H LYS 70 -9.662 -6.472 -2.720 536 HA LYS 70 HA LYS 70 -9.341 -9.059 -1.645 537 1HB LYS 70 2HB LYS 70 -11.643 -8.914 -0.941 538 2HB LYS 70 1HB LYS 70 -10.849 -7.373 -0.657 539 1HG LYS 70 2HG LYS 70 -12.127 -6.280 -2.152 540 2HG LYS 70 1HG LYS 70 -12.238 -7.665 -3.241 541 1HD LYS 70 2HD LYS 70 -14.393 -7.569 -2.461 542 2HD LYS 70 1HD LYS 70 -13.676 -8.669 -1.281 543 1HE LYS 70 2HE LYS 70 -14.111 -7.260 0.376 544 2HE LYS 70 1HE LYS 70 -13.290 -5.944 -0.459 545 1HZ LYS 70 1HZ LYS 70 -15.914 -5.996 0.088 546 2HZ LYS 70 2HZ LYS 70 -15.911 -6.593 -1.494 547 3HZ LYS 70 3HZ LYS 70 -15.220 -5.085 -1.158 548 H GLN 71 H GLN 71 -10.577 -7.849 -4.628 549 HA GLN 71 HA GLN 71 -11.981 -10.167 -5.432 550 1HB GLN 71 2HB GLN 71 -10.982 -7.711 -6.773 551 2HB GLN 71 1HB GLN 71 -11.414 -9.080 -7.788 552 1HG GLN 71 2HG GLN 71 -13.641 -8.961 -7.239 553 2HG GLN 71 1HG GLN 71 -13.329 -8.142 -5.709 554 1HE2 GLN 71 1HE2 GLN 71 -12.678 -5.914 -5.791 555 2HE2 GLN 71 2HE2 GLN 71 -13.206 -4.911 -7.095 556 H ARG 72 H ARG 72 -8.697 -9.052 -5.900 557 HA ARG 72 HA ARG 72 -8.004 -11.463 -7.384 558 1HB ARG 72 2HB ARG 72 -6.342 -9.041 -6.690 559 2HB ARG 72 1HB ARG 72 -5.799 -10.383 -7.685 560 1HG ARG 72 2HG ARG 72 -7.168 -9.793 -9.454 561 2HG ARG 72 1HG ARG 72 -8.251 -8.849 -8.430 562 1HD ARG 72 2HD ARG 72 -6.272 -7.297 -8.042 563 2HD ARG 72 1HD ARG 72 -5.489 -8.140 -9.379 564 HE ARG 72 HE ARG 72 -7.561 -6.184 -9.556 565 1HH1 ARG 72 1HH1 ARG 72 -6.256 -9.025 -11.108 566 2HH1 ARG 72 2HH1 ARG 72 -6.846 -8.592 -12.677 567 1HH2 ARG 72 1HH2 ARG 72 -8.326 -5.607 -11.618 568 2HH2 ARG 72 2HH2 ARG 72 -8.020 -6.650 -12.967 569 H HIS 73 H HIS 73 -6.193 -9.727 -4.943 570 HA HIS 73 HA HIS 73 -5.690 -12.273 -3.563 571 1HB HIS 73 2HB HIS 73 -3.550 -11.321 -2.814 572 2HB HIS 73 1HB HIS 73 -3.657 -11.365 -4.569 573 HD1 HIS 73 1HD HIS 73 -1.633 -9.529 -3.387 574 HD2 HIS 73 2HD HIS 73 -5.535 -8.320 -4.104 575 HE1 HIS 73 1HE HIS 73 -1.555 -7.018 -3.514 576 HE2 HIS 73 2HE HIS 73 -3.940 -6.311 -3.865 577 HA PRO 74 HA PRO 74 -8.059 -9.606 -0.603 578 1HB PRO 74 2HB PRO 74 -9.581 -11.610 0.405 579 2HB PRO 74 1HB PRO 74 -10.011 -10.735 -1.069 580 1HG PRO 74 2HG PRO 74 -8.680 -13.400 -0.768 581 2HG PRO 74 1HG PRO 74 -9.972 -12.914 -1.881 582 1HD PRO 74 2HD PRO 74 -7.381 -13.096 -2.649 583 2HD PRO 74 1HD PRO 74 -8.506 -11.914 -3.349 584 H MET 75 H MET 75 -5.459 -10.322 -0.085 585 HA MET 75 HA MET 75 -5.603 -10.972 2.734 586 1HB MET 75 2HB MET 75 -3.949 -12.577 0.795 587 2HB MET 75 1HB MET 75 -3.712 -12.606 2.537 588 1HG MET 75 2HG MET 75 -5.532 -13.877 2.904 589 2HG MET 75 1HG MET 75 -6.451 -13.136 1.597 590 1HE MET 75 1HE MET 75 -5.194 -17.093 1.897 591 2HE MET 75 2HE MET 75 -4.846 -15.793 3.038 592 3HE MET 75 3HE MET 75 -3.586 -16.372 1.947 593 H LEU 76 H LEU 76 -3.716 -10.027 -0.031 594 HA LEU 76 HA LEU 76 -1.344 -9.212 1.038 595 1HB LEU 76 2HB LEU 76 -2.655 -8.941 -1.371 596 2HB LEU 76 1HB LEU 76 -2.429 -7.279 -0.862 597 HG LEU 76 HG LEU 76 -0.643 -8.278 -2.361 598 1HD1 LEU 76 1HD1 LEU 76 0.779 -7.360 0.007 599 2HD1 LEU 76 2HD1 LEU 76 -0.596 -6.353 -0.462 600 3HD1 LEU 76 3HD1 LEU 76 0.697 -6.676 -1.619 601 1HD2 LEU 76 1HD2 LEU 76 0.899 -9.773 -1.545 602 2HD2 LEU 76 2HD2 LEU 76 -0.620 -10.412 -0.923 603 3HD2 LEU 76 3HD2 LEU 76 0.449 -9.489 0.136 604 HA PRO 77 HA PRO 77 -2.726 -6.053 3.937 605 1HB PRO 77 2HB PRO 77 -0.212 -5.298 4.714 606 2HB PRO 77 1HB PRO 77 -1.073 -6.689 5.378 607 1HG PRO 77 2HG PRO 77 1.045 -6.601 3.273 608 2HG PRO 77 1HG PRO 77 0.829 -7.759 4.598 609 1HD PRO 77 2HD PRO 77 0.111 -8.322 2.056 610 2HD PRO 77 1HD PRO 77 -0.776 -8.959 3.456 611 H VAL 78 H VAL 78 -3.174 -3.962 3.554 612 HA VAL 78 HA VAL 78 -1.485 -2.533 1.605 613 HB VAL 78 HB VAL 78 -4.428 -2.012 1.958 614 1HG1 VAL 78 1HG1 VAL 78 -3.028 -1.510 -0.587 615 2HG1 VAL 78 2HG1 VAL 78 -2.553 -0.493 0.773 616 3HG1 VAL 78 3HG1 VAL 78 -4.238 -0.545 0.258 617 1HG2 VAL 78 1HG2 VAL 78 -3.520 -3.493 -0.431 618 2HG2 VAL 78 2HG2 VAL 78 -5.028 -3.606 0.476 619 3HG2 VAL 78 3HG2 VAL 78 -3.578 -4.404 1.077 620 H ILE 79 H ILE 79 -1.014 -0.390 1.995 621 HA ILE 79 HA ILE 79 -1.914 0.693 4.584 622 HB ILE 79 HB ILE 79 0.795 1.220 3.391 623 1HG1 ILE 79 2HG1 ILE 79 0.914 -0.417 5.741 624 2HG1 ILE 79 1HG1 ILE 79 -0.121 -1.198 4.549 625 1HG2 ILE 79 1HG2 ILE 79 1.140 2.584 5.115 626 2HG2 ILE 79 2HG2 ILE 79 0.481 1.418 6.261 627 3HG2 ILE 79 3HG2 ILE 79 -0.600 2.505 5.391 628 1HD1 ILE 79 1HD1 ILE 79 2.139 -1.955 4.300 629 2HD1 ILE 79 2HD1 ILE 79 2.715 -0.295 4.144 630 3HD1 ILE 79 3HD1 ILE 79 1.683 -0.992 2.893 631 H ILE 80 H ILE 80 -3.233 2.312 4.179 632 HA ILE 80 HA ILE 80 -2.777 3.994 1.828 633 HB ILE 80 HB ILE 80 -5.171 4.176 3.624 634 1HG1 ILE 80 2HG1 ILE 80 -5.038 1.827 3.092 635 2HG1 ILE 80 1HG1 ILE 80 -6.284 2.541 2.077 636 1HG2 ILE 80 1HG2 ILE 80 -5.962 5.563 2.077 637 2HG2 ILE 80 2HG2 ILE 80 -5.573 4.442 0.772 638 3HG2 ILE 80 3HG2 ILE 80 -4.348 5.562 1.367 639 1HD1 ILE 80 1HD1 ILE 80 -3.856 2.688 0.653 640 2HD1 ILE 80 2HD1 ILE 80 -5.277 1.707 0.299 641 3HD1 ILE 80 3HD1 ILE 80 -3.990 1.061 1.315 642 H MET 81 H MET 81 -2.680 6.235 1.933 643 HA MET 81 HA MET 81 -1.370 7.286 4.255 644 1HB MET 81 2HB MET 81 -0.618 8.014 2.106 645 2HB MET 81 1HB MET 81 -2.237 8.518 1.643 646 1HG MET 81 2HG MET 81 -2.163 10.298 3.309 647 2HG MET 81 1HG MET 81 -0.544 9.790 3.782 648 1HE MET 81 1HE MET 81 -2.061 12.115 0.300 649 2HE MET 81 2HE MET 81 -2.822 10.707 1.038 650 3HE MET 81 3HE MET 81 -1.736 10.501 -0.335 651 H THR 82 H THR 82 -4.284 8.379 2.550 652 HA THR 82 HA THR 82 -5.245 9.612 5.037 653 HB THR 82 HB THR 82 -5.752 10.283 2.137 654 HG1 THR 82 1HG THR 82 -4.511 11.956 2.510 655 1HG2 THR 82 1HG2 THR 82 -7.409 11.713 2.561 656 2HG2 THR 82 2HG2 THR 82 -6.788 12.124 4.158 657 3HG2 THR 82 3HG2 THR 82 -7.716 10.643 3.926 658 H ALA 83 H ALA 83 -7.469 9.431 5.616 659 HA ALA 83 HA ALA 83 -8.986 7.315 4.243 660 1HB ALA 83 1HB ALA 83 -9.109 5.959 6.026 661 2HB ALA 83 2HB ALA 83 -9.251 7.301 7.164 662 3HB ALA 83 3HB ALA 83 -7.665 6.820 6.562 663 H HIS 84 H HIS 84 -8.990 10.416 5.399 664 HA HIS 84 HA HIS 84 -11.591 10.629 6.497 665 1HB HIS 84 2HB HIS 84 -10.212 12.960 5.217 666 2HB HIS 84 1HB HIS 84 -11.178 12.907 6.687 667 HD1 HIS 84 1HD HIS 84 -9.853 13.048 8.778 668 HD2 HIS 84 2HD HIS 84 -7.612 11.495 5.641 669 HE1 HIS 84 1HE HIS 84 -7.551 12.672 9.706 670 HE2 HIS 84 2HE HIS 84 -6.188 11.828 7.770 671 H SER 85 H SER 85 -11.677 9.253 3.942 672 HA SER 85 HA SER 85 -13.801 10.768 2.754 673 1HB SER 85 2HB SER 85 -12.833 10.853 0.484 674 2HB SER 85 1HB SER 85 -11.903 11.818 1.628 675 HG SER 85 HG SER 85 -10.911 9.354 1.627 676 H ASP 86 H ASP 86 -15.218 9.128 2.911 677 HA ASP 86 HA ASP 86 -16.304 7.205 2.366 678 1HB ASP 86 2HB ASP 86 -15.065 7.842 0.078 679 2HB ASP 86 1HB ASP 86 -14.234 6.328 0.420 680 H LEU 87 H LEU 87 -14.384 7.259 4.473 681 HA LEU 87 HA LEU 87 -12.557 5.245 4.658 682 1HB LEU 87 2HB LEU 87 -13.877 6.942 6.444 683 2HB LEU 87 1HB LEU 87 -14.147 5.329 7.072 684 HG LEU 87 HG LEU 87 -11.438 6.513 6.464 685 1HD1 LEU 87 1HD1 LEU 87 -11.150 6.634 8.871 686 2HD1 LEU 87 2HD1 LEU 87 -12.792 6.033 9.112 687 3HD1 LEU 87 3HD1 LEU 87 -12.530 7.608 8.362 688 1HD2 LEU 87 1HD2 LEU 87 -11.770 4.001 6.283 689 2HD2 LEU 87 2HD2 LEU 87 -12.023 4.023 8.026 690 3HD2 LEU 87 3HD2 LEU 87 -10.489 4.572 7.347 691 H ASP 88 H ASP 88 -15.968 4.868 4.387 692 HA ASP 88 HA ASP 88 -16.515 2.491 5.618 693 1HB ASP 88 2HB ASP 88 -17.504 3.593 2.994 694 2HB ASP 88 1HB ASP 88 -18.135 2.100 3.678 695 H ALA 89 H ALA 89 -15.196 2.849 2.316 696 HA ALA 89 HA ALA 89 -15.027 0.112 1.750 697 1HB ALA 89 1HB ALA 89 -13.330 0.790 0.036 698 2HB ALA 89 2HB ALA 89 -13.451 2.432 0.670 699 3HB ALA 89 3HB ALA 89 -14.865 1.659 -0.045 700 H ALA 90 H ALA 90 -13.088 2.078 3.786 701 HA ALA 90 HA ALA 90 -10.699 0.533 3.681 702 1HB ALA 90 1HB ALA 90 -11.626 2.233 5.982 703 2HB ALA 90 2HB ALA 90 -10.877 2.892 4.530 704 3HB ALA 90 3HB ALA 90 -9.976 1.790 5.567 705 H VAL 91 H VAL 91 -13.656 0.387 5.565 706 HA VAL 91 HA VAL 91 -12.774 -1.383 7.547 707 HB VAL 91 HB VAL 91 -15.583 -1.391 6.493 708 1HG1 VAL 91 1HG1 VAL 91 -15.696 -1.509 9.201 709 2HG1 VAL 91 2HG1 VAL 91 -14.161 -2.332 8.893 710 3HG1 VAL 91 3HG1 VAL 91 -15.651 -2.923 8.145 711 1HG2 VAL 91 1HG2 VAL 91 -15.530 0.390 8.607 712 2HG2 VAL 91 2HG2 VAL 91 -15.685 0.806 6.901 713 3HG2 VAL 91 3HG2 VAL 91 -14.099 0.816 7.670 714 H SER 92 H SER 92 -14.419 -2.059 4.458 715 HA SER 92 HA SER 92 -14.451 -4.851 4.737 716 1HB SER 92 2HB SER 92 -14.212 -3.314 2.140 717 2HB SER 92 1HB SER 92 -14.825 -4.957 2.345 718 HG SER 92 HG SER 92 -16.472 -3.970 3.720 719 H ALA 93 H ALA 93 -11.908 -2.654 4.041 720 HA ALA 93 HA ALA 93 -10.149 -4.386 2.704 721 1HB ALA 93 1HB ALA 93 -9.286 -2.131 4.475 722 2HB ALA 93 2HB ALA 93 -10.023 -1.860 2.896 723 3HB ALA 93 3HB ALA 93 -8.504 -2.744 3.017 724 H TYR 94 H TYR 94 -10.399 -3.480 6.104 725 HA TYR 94 HA TYR 94 -8.347 -5.072 7.110 726 1HB TYR 94 2HB TYR 94 -10.924 -4.647 8.613 727 2HB TYR 94 1HB TYR 94 -9.290 -4.775 9.256 728 HD1 TYR 94 1HD TYR 94 -11.832 -2.549 8.879 729 HD2 TYR 94 2HD TYR 94 -7.679 -2.890 7.976 730 HE1 TYR 94 1HE TYR 94 -11.633 -0.100 8.858 731 HE2 TYR 94 2HE TYR 94 -7.478 -0.439 7.954 732 HH TYR 94 HH TYR 94 -10.005 1.606 7.700 733 H GLN 95 H GLN 95 -11.453 -5.902 5.928 734 HA GLN 95 HA GLN 95 -11.612 -8.496 7.137 735 1HB GLN 95 2HB GLN 95 -13.720 -7.747 6.644 736 2HB GLN 95 1HB GLN 95 -13.201 -6.894 5.203 737 1HG GLN 95 2HG GLN 95 -12.869 -9.567 4.547 738 2HG GLN 95 1HG GLN 95 -14.355 -9.530 5.492 739 1HE2 GLN 95 1HE2 GLN 95 -12.844 -7.352 3.127 740 2HE2 GLN 95 2HE2 GLN 95 -14.245 -7.197 2.129 741 H GLN 96 H GLN 96 -10.315 -7.138 4.185 742 HA GLN 96 HA GLN 96 -9.836 -9.767 3.077 743 1HB GLN 96 2HB GLN 96 -9.005 -8.638 1.103 744 2HB GLN 96 1HB GLN 96 -10.577 -7.983 1.562 745 1HG GLN 96 2HG GLN 96 -9.757 -5.939 1.877 746 2HG GLN 96 1HG GLN 96 -8.347 -6.537 2.748 747 1HE2 GLN 96 1HE2 GLN 96 -7.191 -4.869 1.627 748 2HE2 GLN 96 2HE2 GLN 96 -6.644 -5.136 0.013 749 H GLY 97 H GLY 97 -8.227 -7.436 4.997 750 1HA GLY 97 2HA GLY 97 -6.219 -8.508 6.077 751 2HA GLY 97 1HA GLY 97 -5.655 -8.775 4.439 752 H ALA 98 H ALA 98 -7.254 -5.771 4.884 753 HA ALA 98 HA ALA 98 -5.056 -4.239 4.131 754 1HB ALA 98 1HB ALA 98 -6.426 -2.446 4.313 755 2HB ALA 98 2HB ALA 98 -7.051 -2.942 5.885 756 3HB ALA 98 3HB ALA 98 -7.645 -3.708 4.419 757 H PHE 99 H PHE 99 -3.539 -3.012 5.259 758 HA PHE 99 HA PHE 99 -2.842 -4.051 7.830 759 1HB PHE 99 2HB PHE 99 -1.231 -3.325 5.962 760 2HB PHE 99 1HB PHE 99 -1.530 -1.683 6.524 761 HD1 PHE 99 1HD PHE 99 -0.819 -4.996 8.083 762 HD2 PHE 99 2HD PHE 99 0.086 -0.845 7.907 763 HE1 PHE 99 1HE PHE 99 0.862 -5.293 9.850 764 HE2 PHE 99 2HE PHE 99 1.775 -1.134 9.671 765 HZ PHE 99 HZ PHE 99 2.164 -3.359 10.649 766 H ASP 100 H ASP 100 -3.621 -0.780 6.628 767 HA ASP 100 HA ASP 100 -5.345 -0.047 8.661 768 1HB ASP 100 2HB ASP 100 -4.024 1.193 10.245 769 2HB ASP 100 1HB ASP 100 -3.316 -0.411 10.119 770 H TYR 101 H TYR 101 -4.728 2.597 9.135 771 HA TYR 101 HA TYR 101 -4.348 3.848 6.508 772 1HB TYR 101 2HB TYR 101 -6.820 3.827 8.137 773 2HB TYR 101 1HB TYR 101 -6.344 5.395 7.500 774 HD1 TYR 101 1HD TYR 101 -7.228 1.928 6.548 775 HD2 TYR 101 2HD TYR 101 -6.671 5.931 5.211 776 HE1 TYR 101 1HE TYR 101 -8.279 1.356 4.395 777 HE2 TYR 101 2HE TYR 101 -7.719 5.369 3.060 778 HH TYR 101 HH TYR 101 -8.003 3.043 1.695 779 H LEU 102 H LEU 102 -3.758 6.106 6.638 780 HA LEU 102 HA LEU 102 -2.527 6.767 9.221 781 1HB LEU 102 2HB LEU 102 -1.808 7.214 6.412 782 2HB LEU 102 1HB LEU 102 -1.546 8.603 7.449 783 HG LEU 102 HG LEU 102 -0.059 7.332 8.866 784 1HD1 LEU 102 1HD1 LEU 102 -1.385 5.153 8.389 785 2HD1 LEU 102 2HD1 LEU 102 0.349 5.080 8.700 786 3HD1 LEU 102 3HD1 LEU 102 -0.252 4.980 7.047 787 1HD2 LEU 102 1HD2 LEU 102 0.361 7.498 5.962 788 2HD2 LEU 102 2HD2 LEU 102 1.493 6.481 6.853 789 3HD2 LEU 102 3HD2 LEU 102 1.298 8.177 7.289 790 HA PRO 103 HA PRO 103 -5.610 9.973 9.561 791 1HB PRO 103 2HB PRO 103 -4.773 11.012 11.933 792 2HB PRO 103 1HB PRO 103 -5.720 9.530 11.798 793 1HG PRO 103 2HG PRO 103 -2.845 9.885 12.390 794 2HG PRO 103 1HG PRO 103 -3.941 8.581 12.861 795 1HD PRO 103 2HD PRO 103 -2.042 8.498 10.795 796 2HD PRO 103 1HD PRO 103 -3.344 7.330 11.078 797 H LYS 104 H LYS 104 -2.688 11.264 11.093 798 HA LYS 104 HA LYS 104 -2.816 13.524 9.232 799 1HB LYS 104 2HB LYS 104 -2.103 13.286 12.105 800 2HB LYS 104 1HB LYS 104 -1.259 14.504 11.158 801 1HG LYS 104 2HG LYS 104 -3.026 15.851 11.141 802 2HG LYS 104 1HG LYS 104 -4.111 14.544 10.665 803 1HD LYS 104 2HD LYS 104 -4.984 15.016 12.716 804 2HD LYS 104 1HD LYS 104 -3.763 13.835 13.197 805 1HE LYS 104 2HE LYS 104 -2.880 15.365 14.543 806 2HE LYS 104 1HE LYS 104 -2.464 16.327 13.124 807 1HZ LYS 104 1HZ LYS 104 -4.845 17.180 13.290 808 2HZ LYS 104 2HZ LYS 104 -3.736 17.741 14.438 809 3HZ LYS 104 3HZ LYS 104 -4.848 16.539 14.857 810 HA PRO 105 HA PRO 105 1.925 12.604 9.521 811 1HB PRO 105 2HB PRO 105 2.633 10.150 10.502 812 2HB PRO 105 1HB PRO 105 2.586 11.626 11.474 813 1HG PRO 105 2HG PRO 105 0.556 9.441 11.247 814 2HG PRO 105 1HG PRO 105 1.119 10.304 12.692 815 1HD PRO 105 2HD PRO 105 -1.215 10.895 11.500 816 2HD PRO 105 1HD PRO 105 -0.218 12.146 12.263 817 H PHE 106 H PHE 106 3.265 11.429 8.069 818 HA PHE 106 HA PHE 106 2.380 9.106 6.693 819 1HB PHE 106 2HB PHE 106 0.807 10.654 5.650 820 2HB PHE 106 1HB PHE 106 2.116 11.754 5.237 821 HD1 PHE 106 1HD PHE 106 2.696 11.761 3.022 822 HD2 PHE 106 2HD PHE 106 1.371 8.124 4.771 823 HE1 PHE 106 1HE PHE 106 2.968 10.622 0.858 824 HE2 PHE 106 2HE PHE 106 1.639 6.976 2.618 825 HZ PHE 106 HZ PHE 106 2.441 8.225 0.655 826 H ASP 107 H ASP 107 3.930 11.387 4.621 827 HA ASP 107 HA ASP 107 5.989 11.272 3.635 828 1HB ASP 107 2HB ASP 107 7.841 11.782 5.199 829 2HB ASP 107 1HB ASP 107 6.432 12.806 5.457 830 H ILE 108 H ILE 108 8.325 10.174 3.882 831 HA ILE 108 HA ILE 108 7.836 7.401 3.610 832 HB ILE 108 HB ILE 108 9.996 9.153 3.005 833 1HG1 ILE 108 2HG1 ILE 108 10.525 7.404 1.390 834 2HG1 ILE 108 1HG1 ILE 108 9.496 6.273 2.260 835 1HG2 ILE 108 1HG2 ILE 108 11.842 7.468 3.371 836 2HG2 ILE 108 2HG2 ILE 108 10.761 6.666 4.505 837 3HG2 ILE 108 3HG2 ILE 108 11.283 8.320 4.811 838 1HD1 ILE 108 1HD1 ILE 108 8.590 7.396 0.137 839 2HD1 ILE 108 2HD1 ILE 108 8.374 8.813 1.164 840 3HD1 ILE 108 3HD1 ILE 108 7.551 7.305 1.560 841 H ASP 109 H ASP 109 9.351 9.288 6.125 842 HA ASP 109 HA ASP 109 10.379 7.319 7.734 843 1HB ASP 109 2HB ASP 109 9.139 9.974 8.361 844 2HB ASP 109 1HB ASP 109 9.646 8.915 9.671 845 H GLU 110 H GLU 110 7.058 8.641 8.081 846 HA GLU 110 HA GLU 110 6.322 6.565 9.875 847 1HB GLU 110 2HB GLU 110 4.662 8.660 8.484 848 2HB GLU 110 1HB GLU 110 4.003 7.503 9.626 849 1HG GLU 110 2HG GLU 110 6.331 9.017 10.578 850 2HG GLU 110 1HG GLU 110 4.873 9.966 10.280 851 H ALA 111 H ALA 111 5.902 7.114 6.448 852 HA ALA 111 HA ALA 111 4.024 5.050 6.008 853 1HB ALA 111 1HB ALA 111 4.919 7.019 4.459 854 2HB ALA 111 2HB ALA 111 4.165 5.570 3.806 855 3HB ALA 111 3HB ALA 111 5.923 5.713 3.835 856 H VAL 112 H VAL 112 7.555 5.117 5.422 857 HA VAL 112 HA VAL 112 7.767 2.390 4.800 858 HB VAL 112 HB VAL 112 9.916 4.148 5.979 859 1HG1 VAL 112 1HG1 VAL 112 10.759 2.066 4.151 860 2HG1 VAL 112 2HG1 VAL 112 9.901 1.399 5.542 861 3HG1 VAL 112 3HG1 VAL 112 11.320 2.422 5.786 862 1HG2 VAL 112 1HG2 VAL 112 9.562 5.286 4.060 863 2HG2 VAL 112 2HG2 VAL 112 8.725 3.940 3.292 864 3HG2 VAL 112 3HG2 VAL 112 10.487 3.968 3.347 865 H ALA 113 H ALA 113 7.809 4.121 7.797 866 HA ALA 113 HA ALA 113 8.784 2.119 9.508 867 1HB ALA 113 1HB ALA 113 7.693 3.412 11.280 868 2HB ALA 113 2HB ALA 113 6.803 4.324 10.057 869 3HB ALA 113 3HB ALA 113 8.558 4.462 10.159 870 H LEU 114 H LEU 114 5.522 3.009 8.528 871 HA LEU 114 HA LEU 114 4.233 0.967 10.018 872 1HB LEU 114 2HB LEU 114 3.173 3.096 9.496 873 2HB LEU 114 1HB LEU 114 3.263 2.738 7.785 874 HG LEU 114 HG LEU 114 1.720 0.780 8.222 875 1HD1 LEU 114 1HD1 LEU 114 1.504 2.159 10.892 876 2HD1 LEU 114 2HD1 LEU 114 1.963 0.487 10.583 877 3HD1 LEU 114 3HD1 LEU 114 0.310 1.018 10.273 878 1HD2 LEU 114 1HD2 LEU 114 1.152 3.170 7.409 879 2HD2 LEU 114 2HD2 LEU 114 0.444 3.358 9.013 880 3HD2 LEU 114 3HD2 LEU 114 -0.156 2.110 7.930 881 H VAL 115 H VAL 115 5.659 1.110 6.860 882 HA VAL 115 HA VAL 115 4.161 -1.131 5.852 883 HB VAL 115 HB VAL 115 5.122 0.672 4.365 884 1HG1 VAL 115 1HG1 VAL 115 7.330 0.922 5.110 885 2HG1 VAL 115 2HG1 VAL 115 7.454 0.163 3.533 886 3HG1 VAL 115 3HG1 VAL 115 7.666 -0.797 4.994 887 1HG2 VAL 115 1HG2 VAL 115 5.809 -0.997 2.582 888 2HG2 VAL 115 2HG2 VAL 115 4.219 -1.219 3.307 889 3HG2 VAL 115 3HG2 VAL 115 5.565 -2.244 3.805 890 H GLU 116 H GLU 116 7.425 -0.636 7.116 891 HA GLU 116 HA GLU 116 8.388 -3.238 6.664 892 1HB GLU 116 2HB GLU 116 9.149 -1.148 8.705 893 2HB GLU 116 1HB GLU 116 10.023 -2.661 8.505 894 1HG GLU 116 2HG GLU 116 10.109 -1.863 5.989 895 2HG GLU 116 1HG GLU 116 9.912 -0.281 6.740 896 H ARG 117 H ARG 117 6.858 -1.794 9.522 897 HA ARG 117 HA ARG 117 6.999 -4.054 11.168 898 1HB ARG 117 2HB ARG 117 5.237 -2.987 12.491 899 2HB ARG 117 1HB ARG 117 6.472 -1.828 12.023 900 1HG ARG 117 2HG ARG 117 5.008 -1.046 10.201 901 2HG ARG 117 1HG ARG 117 3.758 -2.161 10.764 902 1HD ARG 117 2HD ARG 117 3.346 0.067 11.623 903 2HD ARG 117 1HD ARG 117 3.747 -1.027 12.940 904 HE ARG 117 HE ARG 117 6.052 -0.038 12.776 905 1HH1 ARG 117 1HH1 ARG 117 3.215 1.778 11.824 906 2HH1 ARG 117 2HH1 ARG 117 3.959 3.314 12.103 907 1HH2 ARG 117 1HH2 ARG 117 7.016 1.986 13.144 908 2HH2 ARG 117 2HH2 ARG 117 6.111 3.434 12.852 909 H ALA 118 H ALA 118 4.975 -3.315 8.492 910 HA ALA 118 HA ALA 118 2.868 -5.120 9.123 911 1HB ALA 118 1HB ALA 118 2.650 -3.134 7.612 912 2HB ALA 118 2HB ALA 118 2.003 -4.638 6.954 913 3HB ALA 118 3HB ALA 118 3.569 -4.035 6.405 914 H ILE 119 H ILE 119 5.648 -5.250 6.915 915 HA ILE 119 HA ILE 119 5.121 -7.878 6.007 916 HB ILE 119 HB ILE 119 7.818 -6.550 6.065 917 1HG1 ILE 119 2HG1 ILE 119 6.176 -6.322 3.620 918 2HG1 ILE 119 1HG1 ILE 119 5.652 -5.333 4.980 919 1HG2 ILE 119 1HG2 ILE 119 6.588 -8.739 4.431 920 2HG2 ILE 119 2HG2 ILE 119 8.074 -8.764 5.381 921 3HG2 ILE 119 3HG2 ILE 119 8.005 -7.846 3.876 922 1HD1 ILE 119 1HD1 ILE 119 7.879 -4.358 5.128 923 2HD1 ILE 119 2HD1 ILE 119 7.165 -4.107 3.538 924 3HD1 ILE 119 3HD1 ILE 119 8.397 -5.347 3.762 925 H SER 120 H SER 120 6.896 -6.528 8.661 926 HA SER 120 HA SER 120 8.336 -8.851 9.391 927 1HB SER 120 2HB SER 120 9.000 -6.587 10.110 928 2HB SER 120 1HB SER 120 7.543 -6.480 11.098 929 HG SER 120 HG SER 120 9.041 -8.725 11.590 930 H HIS 121 H HIS 121 5.434 -7.349 10.825 931 HA HIS 121 HA HIS 121 4.934 -9.355 12.698 932 1HB HIS 121 2HB HIS 121 3.297 -7.208 11.440 933 2HB HIS 121 1HB HIS 121 2.465 -8.456 12.362 934 HD1 HIS 121 1HD HIS 121 5.650 -6.474 13.043 935 HD2 HIS 121 2HD HIS 121 2.034 -7.467 14.834 936 HE1 HIS 121 1HE HIS 121 5.723 -5.432 15.331 937 HE2 HIS 121 2HE HIS 121 3.503 -6.000 16.376 938 H TYR 122 H TYR 122 4.303 -9.256 9.306 939 HA TYR 122 HA TYR 122 2.392 -11.392 9.364 940 1HB TYR 122 2HB TYR 122 3.529 -9.605 7.330 941 2HB TYR 122 1HB TYR 122 3.150 -11.225 6.753 942 HD1 TYR 122 1HD TYR 122 1.876 -8.048 6.980 943 HD2 TYR 122 2HD TYR 122 0.747 -12.068 7.780 944 HE1 TYR 122 1HE TYR 122 -0.487 -7.411 6.804 945 HE2 TYR 122 2HE TYR 122 -1.624 -11.445 7.595 946 HH TYR 122 HH TYR 122 -2.651 -8.152 7.437 947 H GLN 123 H GLN 123 5.824 -11.033 8.792 948 HA GLN 123 HA GLN 123 6.206 -13.692 7.829 949 1HB GLN 123 2HB GLN 123 7.705 -11.449 7.708 950 2HB GLN 123 1HB GLN 123 8.494 -12.269 9.046 951 1HG GLN 123 2HG GLN 123 9.520 -13.680 7.680 952 2HG GLN 123 1HG GLN 123 8.012 -14.087 6.863 953 1HE2 GLN 123 1HE2 GLN 123 10.963 -13.183 6.197 954 2HE2 GLN 123 2HE2 GLN 123 10.715 -12.131 4.849 955 H GLU 124 H GLU 124 8.035 -15.000 9.071 956 HA GLU 124 HA GLU 124 8.515 -16.349 10.839 957 1HB GLU 124 2HB GLU 124 7.752 -13.830 12.307 958 2HB GLU 124 1HB GLU 124 8.318 -15.272 13.140 959 1HG GLU 124 2HG GLU 124 10.295 -15.053 11.401 960 2HG GLU 124 1HG GLU 124 9.798 -13.363 11.425 Start of MODEL 25 1 1H MET 1 1HT MET 1 15.352 -17.442 5.013 2 2H MET 1 2HT MET 1 14.844 -15.853 5.414 3 3H MET 1 3HT MET 1 15.513 -16.175 3.869 4 HA MET 1 HA MET 1 13.691 -17.538 3.295 5 1HB MET 1 2HB MET 1 11.777 -17.733 4.847 6 2HB MET 1 1HB MET 1 13.237 -18.467 5.489 7 1HG MET 1 2HG MET 1 13.262 -15.832 6.418 8 2HG MET 1 1HG MET 1 11.596 -16.381 6.585 9 1HE MET 1 1HE MET 1 15.150 -16.674 8.668 10 2HE MET 1 2HE MET 1 15.189 -17.180 6.980 11 3HE MET 1 3HE MET 1 15.311 -18.383 8.263 12 H GLN 2 H GLN 2 12.172 -16.574 2.058 13 HA GLN 2 HA GLN 2 10.978 -14.933 1.045 14 1HB GLN 2 2HB GLN 2 10.847 -14.068 3.908 15 2HB GLN 2 1HB GLN 2 10.219 -13.014 2.648 16 1HG GLN 2 2HG GLN 2 8.415 -14.289 2.303 17 2HG GLN 2 1HG GLN 2 9.321 -15.793 2.463 18 1HE2 GLN 2 1HE2 GLN 2 7.087 -13.754 3.881 19 2HE2 GLN 2 2HE2 GLN 2 7.070 -14.440 5.467 20 H ARG 3 H ARG 3 11.492 -13.235 -0.201 21 HA ARG 3 HA ARG 3 14.051 -11.976 0.258 22 1HB ARG 3 2HB ARG 3 13.670 -11.047 -2.055 23 2HB ARG 3 1HB ARG 3 13.769 -12.800 -1.949 24 1HG ARG 3 2HG ARG 3 11.043 -11.960 -1.647 25 2HG ARG 3 1HG ARG 3 11.738 -11.250 -3.106 26 1HD ARG 3 2HD ARG 3 12.493 -14.028 -2.817 27 2HD ARG 3 1HD ARG 3 10.741 -13.834 -2.806 28 HE ARG 3 HE ARG 3 12.559 -13.123 -4.992 29 1HH1 ARG 3 1HH1 ARG 3 9.288 -13.451 -3.795 30 2HH1 ARG 3 2HH1 ARG 3 8.576 -13.336 -5.368 31 1HH2 ARG 3 1HH2 ARG 3 11.615 -12.978 -7.054 32 2HH2 ARG 3 2HH2 ARG 3 9.893 -13.065 -7.216 33 H GLY 4 H GLY 4 10.710 -11.235 0.511 34 1HA GLY 4 2HA GLY 4 9.711 -9.367 1.446 35 2HA GLY 4 1HA GLY 4 11.304 -8.634 1.594 36 H ILE 5 H ILE 5 8.421 -8.811 -0.232 37 HA ILE 5 HA ILE 5 9.558 -6.986 -2.247 38 HB ILE 5 HB ILE 5 7.131 -8.729 -2.634 39 1HG1 ILE 5 2HG1 ILE 5 9.038 -9.785 -4.271 40 2HG1 ILE 5 1HG1 ILE 5 10.004 -9.339 -2.868 41 1HG2 ILE 5 1HG2 ILE 5 8.175 -6.548 -4.075 42 2HG2 ILE 5 2HG2 ILE 5 6.857 -7.628 -4.538 43 3HG2 ILE 5 3HG2 ILE 5 8.511 -7.995 -5.028 44 1HD1 ILE 5 1HD1 ILE 5 8.754 -11.690 -3.133 45 2HD1 ILE 5 2HD1 ILE 5 7.502 -10.773 -2.296 46 3HD1 ILE 5 3HD1 ILE 5 9.103 -10.939 -1.577 47 H VAL 6 H VAL 6 8.953 -4.969 -1.872 48 HA VAL 6 HA VAL 6 6.289 -4.458 -0.740 49 HB VAL 6 HB VAL 6 8.243 -3.522 0.514 50 1HG1 VAL 6 1HG1 VAL 6 9.888 -2.778 -0.809 51 2HG1 VAL 6 2HG1 VAL 6 8.973 -1.274 -0.806 52 3HG1 VAL 6 3HG1 VAL 6 8.807 -2.408 -2.132 53 1HG2 VAL 6 1HG2 VAL 6 6.967 -1.051 -0.342 54 2HG2 VAL 6 2HG2 VAL 6 6.916 -1.866 1.220 55 3HG2 VAL 6 3HG2 VAL 6 5.806 -2.349 -0.062 56 H TRP 7 H TRP 7 4.777 -3.520 -1.966 57 HA TRP 7 HA TRP 7 5.657 -2.315 -4.502 58 1HB TRP 7 2HB TRP 7 3.276 -4.009 -3.822 59 2HB TRP 7 1HB TRP 7 3.225 -2.919 -5.209 60 HD1 TRP 7 HD1 TRP 7 6.624 -4.334 -4.650 61 HE1 TRP 7 1HE TRP 7 7.142 -6.159 -6.367 62 HE3 TRP 7 3HE TRP 7 1.922 -4.975 -6.579 63 HZ2 TRP 7 2HZ TRP 7 5.751 -7.691 -8.270 64 HZ3 TRP 7 3HZ TRP 7 1.613 -6.655 -8.349 65 HH2 TRP 7 HH2 TRP 7 3.494 -7.987 -9.173 66 H VAL 8 H VAL 8 5.083 -0.266 -4.926 67 HA VAL 8 HA VAL 8 3.227 1.025 -3.034 68 HB VAL 8 HB VAL 8 5.231 2.788 -4.261 69 1HG1 VAL 8 1HG1 VAL 8 3.835 2.432 -1.679 70 2HG1 VAL 8 2HG1 VAL 8 4.048 3.878 -2.659 71 3HG1 VAL 8 3HG1 VAL 8 5.374 3.283 -1.662 72 1HG2 VAL 8 1HG2 VAL 8 6.141 0.355 -2.969 73 2HG2 VAL 8 2HG2 VAL 8 6.676 1.791 -2.103 74 3HG2 VAL 8 3HG2 VAL 8 7.063 1.597 -3.811 75 H VAL 9 H VAL 9 1.779 2.488 -3.826 76 HA VAL 9 HA VAL 9 1.818 2.905 -6.738 77 HB VAL 9 HB VAL 9 -0.647 2.877 -6.709 78 1HG1 VAL 9 1HG1 VAL 9 -0.347 0.797 -7.420 79 2HG1 VAL 9 2HG1 VAL 9 -0.450 0.246 -5.747 80 3HG1 VAL 9 3HG1 VAL 9 1.116 0.650 -6.446 81 1HG2 VAL 9 1HG2 VAL 9 -0.328 1.876 -3.889 82 2HG2 VAL 9 2HG2 VAL 9 -1.838 1.930 -4.797 83 3HG2 VAL 9 3HG2 VAL 9 -1.019 3.426 -4.363 84 H ASP 10 H ASP 10 2.263 4.951 -7.111 85 HA ASP 10 HA ASP 10 0.634 7.055 -6.031 86 1HB ASP 10 2HB ASP 10 2.682 6.447 -4.402 87 2HB ASP 10 1HB ASP 10 3.519 7.538 -5.502 88 H ASP 11 H ASP 11 2.500 9.152 -6.598 89 HA ASP 11 HA ASP 11 2.139 9.337 -9.406 90 1HB ASP 11 2HB ASP 11 3.379 11.088 -7.320 91 2HB ASP 11 1HB ASP 11 3.621 11.456 -9.026 92 H ASP 12 H ASP 12 4.237 7.417 -7.972 93 HA ASP 12 HA ASP 12 6.297 6.576 -8.376 94 1HB ASP 12 2HB ASP 12 6.752 6.135 -10.746 95 2HB ASP 12 1HB ASP 12 5.068 5.834 -10.349 96 H SER 13 H SER 13 7.767 7.686 -10.939 97 HA SER 13 HA SER 13 9.728 8.824 -11.081 98 1HB SER 13 2HB SER 13 7.693 10.227 -11.830 99 2HB SER 13 1HB SER 13 8.084 11.231 -10.437 100 HG SER 13 HG SER 13 10.099 11.628 -11.309 101 H SER 14 H SER 14 8.351 11.054 -8.757 102 HA SER 14 HA SER 14 10.810 11.144 -7.295 103 1HB SER 14 2HB SER 14 9.450 13.159 -7.645 104 2HB SER 14 1HB SER 14 8.145 12.444 -6.699 105 HG SER 14 HG SER 14 10.760 12.888 -5.699 106 H ILE 15 H ILE 15 7.536 9.961 -6.604 107 HA ILE 15 HA ILE 15 8.011 9.272 -3.926 108 HB ILE 15 HB ILE 15 6.047 7.900 -5.750 109 1HG1 ILE 15 2HG1 ILE 15 5.811 10.343 -5.929 110 2HG1 ILE 15 1HG1 ILE 15 4.437 9.627 -5.095 111 1HG2 ILE 15 1HG2 ILE 15 4.891 7.266 -3.836 112 2HG2 ILE 15 2HG2 ILE 15 5.692 8.476 -2.832 113 3HG2 ILE 15 3HG2 ILE 15 6.580 7.052 -3.374 114 1HD1 ILE 15 1HD1 ILE 15 5.584 11.803 -4.204 115 2HD1 ILE 15 2HD1 ILE 15 6.706 10.655 -3.475 116 3HD1 ILE 15 3HD1 ILE 15 4.988 10.572 -3.091 117 H ARG 16 H ARG 16 8.538 7.520 -6.892 118 HA ARG 16 HA ARG 16 8.968 4.978 -5.718 119 1HB ARG 16 2HB ARG 16 10.148 4.462 -7.877 120 2HB ARG 16 1HB ARG 16 8.487 5.004 -8.029 121 1HG ARG 16 2HG ARG 16 9.099 7.016 -8.964 122 2HG ARG 16 1HG ARG 16 10.717 6.964 -8.281 123 1HD ARG 16 2HD ARG 16 10.991 6.539 -10.578 124 2HD ARG 16 1HD ARG 16 11.151 4.979 -9.775 125 HE ARG 16 HE ARG 16 8.477 5.331 -10.534 126 1HH1 ARG 16 1HH1 ARG 16 11.613 4.814 -11.972 127 2HH1 ARG 16 2HH1 ARG 16 10.980 4.017 -13.372 128 1HH2 ARG 16 1HH2 ARG 16 7.639 4.285 -12.381 129 2HH2 ARG 16 2HH2 ARG 16 8.726 3.720 -13.606 130 H TRP 17 H TRP 17 11.271 7.405 -6.901 131 HA TRP 17 HA TRP 17 13.603 6.072 -6.260 132 1HB TRP 17 2HB TRP 17 13.346 8.217 -7.569 133 2HB TRP 17 1HB TRP 17 13.265 9.052 -6.022 134 HD1 TRP 17 HD1 TRP 17 15.717 6.877 -8.071 135 HE1 TRP 17 1HE TRP 17 18.112 7.511 -7.372 136 HE3 TRP 17 3HE TRP 17 14.613 10.122 -4.285 137 HZ2 TRP 17 2HZ TRP 17 19.365 9.175 -5.461 138 HZ3 TRP 17 3HZ TRP 17 16.464 11.195 -3.071 139 HH2 TRP 17 HH2 TRP 17 18.790 10.731 -3.647 140 H VAL 18 H VAL 18 11.661 8.182 -4.177 141 HA VAL 18 HA VAL 18 13.470 8.205 -2.024 142 HB VAL 18 HB VAL 18 10.496 8.527 -1.767 143 1HG1 VAL 18 1HG1 VAL 18 10.904 9.596 0.222 144 2HG1 VAL 18 2HG1 VAL 18 12.538 10.072 -0.242 145 3HG1 VAL 18 3HG1 VAL 18 12.203 8.403 0.217 146 1HG2 VAL 18 1HG2 VAL 18 11.839 11.037 -2.006 147 2HG2 VAL 18 2HG2 VAL 18 10.541 10.374 -2.999 148 3HG2 VAL 18 3HG2 VAL 18 12.222 10.044 -3.414 149 H LEU 19 H LEU 19 10.565 6.293 -2.560 150 HA LEU 19 HA LEU 19 10.941 4.813 -0.152 151 1HB LEU 19 2HB LEU 19 8.890 5.008 -2.227 152 2HB LEU 19 1HB LEU 19 9.061 3.404 -1.537 153 HG LEU 19 HG LEU 19 8.565 5.922 0.050 154 1HD1 LEU 19 1HD1 LEU 19 6.728 4.880 -1.507 155 2HD1 LEU 19 2HD1 LEU 19 6.337 5.415 0.127 156 3HD1 LEU 19 3HD1 LEU 19 6.603 3.703 -0.199 157 1HD2 LEU 19 1HD2 LEU 19 9.133 3.102 0.765 158 2HD2 LEU 19 2HD2 LEU 19 7.928 3.966 1.719 159 3HD2 LEU 19 3HD2 LEU 19 9.573 4.594 1.594 160 H GLU 20 H GLU 20 11.830 4.325 -3.472 161 HA GLU 20 HA GLU 20 12.140 1.523 -3.315 162 1HB GLU 20 2HB GLU 20 13.323 1.629 -5.377 163 2HB GLU 20 1HB GLU 20 12.009 2.784 -5.452 164 1HG GLU 20 2HG GLU 20 13.636 4.581 -4.962 165 2HG GLU 20 1HG GLU 20 14.924 3.377 -5.033 166 H ARG 21 H ARG 21 14.594 4.065 -3.242 167 HA ARG 21 HA ARG 21 16.749 2.409 -2.591 168 1HB ARG 21 2HB ARG 21 16.307 5.351 -2.091 169 2HB ARG 21 1HB ARG 21 17.841 4.537 -1.811 170 1HG ARG 21 2HG ARG 21 16.816 3.982 -4.456 171 2HG ARG 21 1HG ARG 21 16.980 5.715 -4.170 172 1HD ARG 21 2HD ARG 21 19.289 5.505 -3.668 173 2HD ARG 21 1HD ARG 21 19.177 3.747 -3.568 174 HE ARG 21 HE ARG 21 19.529 5.318 -5.933 175 1HH1 ARG 21 1HH1 ARG 21 18.222 2.327 -4.699 176 2HH1 ARG 21 2HH1 ARG 21 18.330 1.506 -6.221 177 1HH2 ARG 21 1HH2 ARG 21 19.667 4.242 -7.937 178 2HH2 ARG 21 2HH2 ARG 21 19.148 2.594 -8.059 179 H ALA 22 H ALA 22 14.841 4.504 -0.398 180 HA ALA 22 HA ALA 22 16.130 3.757 1.953 181 1HB ALA 22 1HB ALA 22 13.322 4.284 2.406 182 2HB ALA 22 2HB ALA 22 14.039 5.449 1.291 183 3HB ALA 22 3HB ALA 22 14.740 5.216 2.892 184 H LEU 23 H LEU 23 13.561 2.167 0.223 185 HA LEU 23 HA LEU 23 12.973 0.327 2.340 186 1HB LEU 23 2HB LEU 23 11.392 1.037 0.495 187 2HB LEU 23 1HB LEU 23 12.304 -0.012 -0.574 188 HG LEU 23 HG LEU 23 10.141 -0.913 0.440 189 1HD1 LEU 23 1HD1 LEU 23 12.604 -2.574 0.873 190 2HD1 LEU 23 2HD1 LEU 23 11.902 -2.249 -0.711 191 3HD1 LEU 23 3HD1 LEU 23 10.976 -3.134 0.504 192 1HD2 LEU 23 1HD2 LEU 23 11.916 -1.326 2.832 193 2HD2 LEU 23 2HD2 LEU 23 10.251 -1.874 2.633 194 3HD2 LEU 23 3HD2 LEU 23 10.604 -0.149 2.743 195 H ALA 24 H ALA 24 15.121 0.444 -0.369 196 HA ALA 24 HA ALA 24 15.802 -2.295 -0.481 197 1HB ALA 24 1HB ALA 24 16.826 0.209 -1.604 198 2HB ALA 24 2HB ALA 24 16.688 -1.388 -2.338 199 3HB ALA 24 3HB ALA 24 18.070 -1.006 -1.312 200 H GLY 25 H GLY 25 16.838 0.414 1.486 201 1HA GLY 25 2HA GLY 25 19.146 -0.759 2.620 202 2HA GLY 25 1HA GLY 25 18.185 0.528 3.343 203 H ALA 26 H ALA 26 15.753 -1.193 3.187 204 HA ALA 26 HA ALA 26 16.048 -2.438 5.746 205 1HB ALA 26 1HB ALA 26 13.977 -1.428 5.495 206 2HB ALA 26 2HB ALA 26 13.610 -3.128 5.212 207 3HB ALA 26 3HB ALA 26 13.776 -2.022 3.848 208 H GLY 27 H GLY 27 16.458 -3.419 2.512 209 1HA GLY 27 2HA GLY 27 17.439 -5.495 1.952 210 2HA GLY 27 1HA GLY 27 16.749 -6.186 3.410 211 H LEU 28 H LEU 28 14.743 -4.279 1.245 212 HA LEU 28 HA LEU 28 13.660 -6.764 0.169 213 1HB LEU 28 2HB LEU 28 11.646 -4.715 0.737 214 2HB LEU 28 1HB LEU 28 11.558 -6.452 0.903 215 HG LEU 28 HG LEU 28 13.197 -5.941 2.948 216 1HD1 LEU 28 1HD1 LEU 28 13.381 -3.621 2.816 217 2HD1 LEU 28 2HD1 LEU 28 12.194 -3.893 4.092 218 3HD1 LEU 28 3HD1 LEU 28 11.664 -3.414 2.483 219 1HD2 LEU 28 1HD2 LEU 28 10.541 -5.389 3.864 220 2HD2 LEU 28 2HD2 LEU 28 11.485 -6.872 4.007 221 3HD2 LEU 28 3HD2 LEU 28 10.485 -6.599 2.581 222 H THR 29 H THR 29 11.999 -6.292 -1.614 223 HA THR 29 HA THR 29 13.279 -4.410 -3.451 224 HB THR 29 HB THR 29 11.377 -6.720 -3.870 225 HG1 THR 29 1HG THR 29 14.070 -6.233 -4.597 226 1HG2 THR 29 1HG2 THR 29 12.274 -6.104 -6.362 227 2HG2 THR 29 2HG2 THR 29 11.962 -4.507 -5.683 228 3HG2 THR 29 3HG2 THR 29 10.676 -5.713 -5.731 229 H CYS 30 H CYS 30 12.263 -2.677 -4.330 230 HA CYS 30 HA CYS 30 9.473 -2.213 -3.526 231 1HB CYS 30 2HB CYS 30 11.210 -0.878 -2.246 232 2HB CYS 30 1HB CYS 30 11.536 -0.042 -3.759 233 HG CYS 30 HG CYS 30 9.514 0.857 -1.931 234 H THR 31 H THR 31 8.161 -2.031 -5.157 235 HA THR 31 HA THR 31 9.147 -0.802 -7.640 236 HB THR 31 HB THR 31 8.757 -3.383 -7.697 237 HG1 THR 31 1HG THR 31 8.995 -2.241 -9.600 238 1HG2 THR 31 1HG2 THR 31 6.405 -2.981 -6.622 239 2HG2 THR 31 2HG2 THR 31 6.657 -4.235 -7.841 240 3HG2 THR 31 3HG2 THR 31 5.949 -2.691 -8.298 241 H THR 32 H THR 32 7.888 0.817 -8.371 242 HA THR 32 HA THR 32 5.502 1.412 -6.812 243 HB THR 32 HB THR 32 5.834 3.721 -7.508 244 HG1 THR 32 1HG THR 32 6.904 4.018 -9.281 245 1HG2 THR 32 1HG2 THR 32 7.330 4.046 -5.904 246 2HG2 THR 32 2HG2 THR 32 8.589 3.197 -6.801 247 3HG2 THR 32 3HG2 THR 32 7.461 2.288 -5.796 248 H PHE 33 H PHE 33 3.754 2.596 -7.865 249 HA PHE 33 HA PHE 33 3.320 1.773 -10.641 250 1HB PHE 33 2HB PHE 33 1.403 1.360 -8.348 251 2HB PHE 33 1HB PHE 33 1.020 1.085 -10.041 252 HD1 PHE 33 1HD PHE 33 1.185 -1.081 -10.812 253 HD2 PHE 33 2HD PHE 33 3.642 0.111 -7.563 254 HE1 PHE 33 1HE PHE 33 2.055 -3.357 -10.646 255 HE2 PHE 33 2HE PHE 33 4.531 -2.160 -7.390 256 HZ PHE 33 HZ PHE 33 3.721 -3.924 -8.943 257 H GLU 34 H GLU 34 1.199 2.798 -11.476 258 HA GLU 34 HA GLU 34 1.584 5.559 -11.541 259 1HB GLU 34 2HB GLU 34 -0.258 5.643 -13.021 260 2HB GLU 34 1HB GLU 34 0.529 4.098 -13.297 261 1HG GLU 34 2HG GLU 34 -1.417 3.603 -11.350 262 2HG GLU 34 1HG GLU 34 -2.181 4.661 -12.532 263 H ASN 35 H ASN 35 -0.706 3.695 -9.551 264 HA ASN 35 HA ASN 35 -0.958 5.788 -7.706 265 1HB ASN 35 2HB ASN 35 -3.294 6.482 -8.089 266 2HB ASN 35 1HB ASN 35 -2.223 6.958 -9.401 267 1HD2 ASN 35 1HD2 ASN 35 -2.977 6.616 -11.347 268 2HD2 ASN 35 2HD2 ASN 35 -4.138 5.421 -11.799 269 H GLY 36 H GLY 36 -2.183 2.821 -9.012 270 1HA GLY 36 2HA GLY 36 -2.297 1.434 -6.682 271 2HA GLY 36 1HA GLY 36 -3.841 2.261 -6.725 272 H ASN 37 H ASN 37 -4.769 2.091 -9.171 273 HA ASN 37 HA ASN 37 -5.758 -0.461 -9.443 274 1HB ASN 37 2HB ASN 37 -6.123 1.923 -10.764 275 2HB ASN 37 1HB ASN 37 -5.457 0.886 -12.021 276 1HD2 ASN 37 1HD2 ASN 37 -7.708 0.441 -9.306 277 2HD2 ASN 37 2HD2 ASN 37 -8.951 -0.308 -10.242 278 H GLU 38 H GLU 38 -2.819 0.893 -10.723 279 HA GLU 38 HA GLU 38 -2.120 -0.995 -12.615 280 1HB GLU 38 2HB GLU 38 -0.961 1.224 -11.607 281 2HB GLU 38 1HB GLU 38 0.050 -0.006 -10.885 282 1HG GLU 38 2HG GLU 38 -0.489 0.323 -13.823 283 2HG GLU 38 1HG GLU 38 0.989 0.787 -12.980 284 H VAL 39 H VAL 39 -1.275 -1.021 -9.116 285 HA VAL 39 HA VAL 39 0.107 -3.450 -9.165 286 HB VAL 39 HB VAL 39 -1.442 -2.162 -6.915 287 1HG1 VAL 39 1HG1 VAL 39 -0.331 -4.834 -7.082 288 2HG1 VAL 39 2HG1 VAL 39 -1.342 -4.114 -5.831 289 3HG1 VAL 39 3HG1 VAL 39 0.407 -3.899 -5.786 290 1HG2 VAL 39 1HG2 VAL 39 0.592 -1.036 -7.827 291 2HG2 VAL 39 2HG2 VAL 39 1.528 -2.442 -7.326 292 3HG2 VAL 39 3HG2 VAL 39 0.696 -1.460 -6.121 293 H LEU 40 H LEU 40 -3.346 -2.818 -8.746 294 HA LEU 40 HA LEU 40 -4.217 -5.357 -8.065 295 1HB LEU 40 2HB LEU 40 -5.667 -3.550 -9.984 296 2HB LEU 40 1HB LEU 40 -6.365 -4.712 -8.871 297 HG LEU 40 HG LEU 40 -5.064 -2.078 -8.162 298 1HD1 LEU 40 1HD1 LEU 40 -7.164 -1.396 -8.578 299 2HD1 LEU 40 2HD1 LEU 40 -7.520 -2.123 -7.011 300 3HD1 LEU 40 3HD1 LEU 40 -7.820 -3.030 -8.493 301 1HD2 LEU 40 1HD2 LEU 40 -5.226 -2.585 -5.904 302 2HD2 LEU 40 2HD2 LEU 40 -4.625 -4.090 -6.598 303 3HD2 LEU 40 3HD2 LEU 40 -6.332 -3.929 -6.183 304 H ALA 41 H ALA 41 -3.469 -4.014 -11.239 305 HA ALA 41 HA ALA 41 -4.224 -6.386 -12.664 306 1HB ALA 41 1HB ALA 41 -2.488 -4.176 -13.714 307 2HB ALA 41 2HB ALA 41 -4.243 -4.037 -13.602 308 3HB ALA 41 3HB ALA 41 -3.520 -5.279 -14.625 309 H ALA 42 H ALA 42 -1.170 -4.857 -11.822 310 HA ALA 42 HA ALA 42 0.522 -6.788 -12.960 311 1HB ALA 42 1HB ALA 42 0.935 -4.383 -11.806 312 2HB ALA 42 2HB ALA 42 2.217 -5.545 -12.142 313 3HB ALA 42 3HB ALA 42 1.519 -5.449 -10.525 314 H LEU 43 H LEU 43 -1.296 -6.736 -10.031 315 HA LEU 43 HA LEU 43 0.160 -8.666 -8.583 316 1HB LEU 43 2HB LEU 43 -2.508 -7.400 -8.393 317 2HB LEU 43 1HB LEU 43 -2.288 -8.917 -7.534 318 HG LEU 43 HG LEU 43 -0.411 -6.600 -7.178 319 1HD1 LEU 43 1HD1 LEU 43 -1.660 -5.954 -5.219 320 2HD1 LEU 43 2HD1 LEU 43 -2.827 -7.244 -5.504 321 3HD1 LEU 43 3HD1 LEU 43 -2.714 -5.893 -6.633 322 1HD2 LEU 43 1HD2 LEU 43 0.682 -8.265 -6.151 323 2HD2 LEU 43 2HD2 LEU 43 -0.758 -9.277 -6.040 324 3HD2 LEU 43 3HD2 LEU 43 -0.489 -7.996 -4.859 325 H ALA 44 H ALA 44 -2.063 -8.939 -11.191 326 HA ALA 44 HA ALA 44 -3.123 -11.483 -10.721 327 1HB ALA 44 1HB ALA 44 -3.022 -9.622 -12.915 328 2HB ALA 44 2HB ALA 44 -4.242 -10.830 -12.524 329 3HB ALA 44 3HB ALA 44 -2.837 -11.277 -13.489 330 H SER 45 H SER 45 0.083 -10.585 -11.497 331 HA SER 45 HA SER 45 0.703 -13.366 -12.132 332 1HB SER 45 2HB SER 45 1.158 -12.187 -14.122 333 2HB SER 45 1HB SER 45 1.887 -10.839 -13.251 334 HG SER 45 HG SER 45 2.989 -13.435 -13.153 335 H LYS 46 H LYS 46 1.022 -11.050 -9.791 336 HA LYS 46 HA LYS 46 2.989 -12.574 -8.395 337 1HB LYS 46 2HB LYS 46 4.089 -10.710 -10.030 338 2HB LYS 46 1HB LYS 46 3.873 -9.773 -8.558 339 1HG LYS 46 2HG LYS 46 4.973 -12.182 -7.708 340 2HG LYS 46 1HG LYS 46 5.848 -11.768 -9.185 341 1HD LYS 46 2HD LYS 46 6.281 -9.524 -8.273 342 2HD LYS 46 1HD LYS 46 5.448 -9.980 -6.788 343 1HE LYS 46 2HE LYS 46 7.468 -11.923 -7.457 344 2HE LYS 46 1HE LYS 46 8.163 -10.304 -7.387 345 1HZ LYS 46 1HZ LYS 46 7.204 -10.033 -5.182 346 2HZ LYS 46 2HZ LYS 46 8.232 -11.373 -5.230 347 3HZ LYS 46 3HZ LYS 46 6.556 -11.593 -5.248 348 H THR 47 H THR 47 3.333 -11.804 -6.191 349 HA THR 47 HA THR 47 1.405 -9.840 -5.271 350 HB THR 47 HB THR 47 1.646 -12.631 -4.156 351 HG1 THR 47 1HG THR 47 0.329 -12.232 -6.089 352 1HG2 THR 47 1HG2 THR 47 -0.038 -12.088 -2.560 353 2HG2 THR 47 2HG2 THR 47 -0.201 -10.457 -3.210 354 3HG2 THR 47 3HG2 THR 47 1.281 -10.931 -2.379 355 HA PRO 48 HA PRO 48 5.179 -8.870 -3.000 356 1HB PRO 48 2HB PRO 48 4.452 -6.418 -2.164 357 2HB PRO 48 1HB PRO 48 4.934 -6.720 -3.837 358 1HG PRO 48 2HG PRO 48 2.186 -6.469 -2.676 359 2HG PRO 48 1HG PRO 48 2.830 -5.790 -4.181 360 1HD PRO 48 2HD PRO 48 1.312 -8.051 -4.083 361 2HD PRO 48 1HD PRO 48 2.523 -7.741 -5.341 362 H ASP 49 H ASP 49 5.677 -8.466 -0.721 363 HA ASP 49 HA ASP 49 3.859 -9.835 1.011 364 1HB ASP 49 2HB ASP 49 6.439 -8.373 1.609 365 2HB ASP 49 1HB ASP 49 5.552 -9.349 2.774 366 H VAL 50 H VAL 50 4.373 -6.535 0.167 367 HA VAL 50 HA VAL 50 2.264 -5.734 2.003 368 HB VAL 50 HB VAL 50 4.267 -5.333 3.311 369 1HG1 VAL 50 1HG1 VAL 50 5.420 -4.776 0.837 370 2HG1 VAL 50 2HG1 VAL 50 6.200 -4.718 2.420 371 3HG1 VAL 50 3HG1 VAL 50 5.482 -3.258 1.738 372 1HG2 VAL 50 1HG2 VAL 50 3.903 -3.082 3.904 373 2HG2 VAL 50 2HG2 VAL 50 2.359 -3.657 3.276 374 3HG2 VAL 50 3HG2 VAL 50 3.398 -2.651 2.270 375 H LEU 51 H LEU 51 1.569 -3.415 1.512 376 HA LEU 51 HA LEU 51 2.290 -2.431 -1.118 377 1HB LEU 51 2HB LEU 51 0.507 -4.211 -1.408 378 2HB LEU 51 1HB LEU 51 -0.582 -3.142 -0.546 379 HG LEU 51 HG LEU 51 -0.154 -1.415 -2.332 380 1HD1 LEU 51 1HD1 LEU 51 1.390 -3.717 -3.454 381 2HD1 LEU 51 2HD1 LEU 51 1.807 -2.002 -3.393 382 3HD1 LEU 51 3HD1 LEU 51 0.591 -2.570 -4.529 383 1HD2 LEU 51 1HD2 LEU 51 -1.941 -3.489 -2.233 384 2HD2 LEU 51 2HD2 LEU 51 -1.251 -3.656 -3.848 385 3HD2 LEU 51 3HD2 LEU 51 -2.003 -2.136 -3.363 386 H LEU 52 H LEU 52 2.200 -0.260 -1.170 387 HA LEU 52 HA LEU 52 0.744 1.106 1.001 388 1HB LEU 52 2HB LEU 52 3.435 1.280 0.226 389 2HB LEU 52 1HB LEU 52 2.692 2.757 -0.350 390 HG LEU 52 HG LEU 52 2.275 1.897 2.483 391 1HD1 LEU 52 1HD1 LEU 52 4.314 3.717 2.612 392 2HD1 LEU 52 2HD1 LEU 52 4.792 2.710 1.243 393 3HD1 LEU 52 3HD1 LEU 52 4.484 1.977 2.814 394 1HD2 LEU 52 1HD2 LEU 52 2.528 4.591 2.430 395 2HD2 LEU 52 2HD2 LEU 52 0.996 3.737 2.249 396 3HD2 LEU 52 3HD2 LEU 52 1.873 4.287 0.821 397 H SER 53 H SER 53 -0.991 2.239 0.392 398 HA SER 53 HA SER 53 -1.198 3.041 -2.424 399 1HB SER 53 2HB SER 53 -3.200 2.227 -0.370 400 2HB SER 53 1HB SER 53 -3.708 3.344 -1.637 401 HG SER 53 HG SER 53 -3.324 0.686 -1.773 402 H ASP 54 H ASP 54 -1.284 5.117 -2.999 403 HA ASP 54 HA ASP 54 -0.809 7.151 -1.055 404 1HB ASP 54 2HB ASP 54 0.130 7.151 -3.378 405 2HB ASP 54 1HB ASP 54 -1.486 7.511 -3.974 406 H ILE 55 H ILE 55 -3.627 5.873 -2.555 407 HA ILE 55 HA ILE 55 -5.819 6.522 -2.624 408 HB ILE 55 HB ILE 55 -5.612 5.774 -0.321 409 1HG1 ILE 55 2HG1 ILE 55 -7.682 7.104 -1.342 410 2HG1 ILE 55 1HG1 ILE 55 -7.696 6.475 0.296 411 1HG2 ILE 55 1HG2 ILE 55 -4.781 8.602 0.229 412 2HG2 ILE 55 2HG2 ILE 55 -3.931 7.108 0.615 413 3HG2 ILE 55 3HG2 ILE 55 -5.403 7.538 1.481 414 1HD1 ILE 55 1HD1 ILE 55 -6.943 8.737 1.058 415 2HD1 ILE 55 2HD1 ILE 55 -8.555 8.682 0.349 416 3HD1 ILE 55 3HD1 ILE 55 -7.198 9.300 -0.592 417 H ARG 56 H ARG 56 -6.125 8.114 -4.100 418 HA ARG 56 HA ARG 56 -6.301 10.844 -3.066 419 1HB ARG 56 2HB ARG 56 -5.244 11.661 -5.225 420 2HB ARG 56 1HB ARG 56 -4.157 10.923 -4.056 421 1HG ARG 56 2HG ARG 56 -3.858 9.020 -5.338 422 2HG ARG 56 1HG ARG 56 -5.350 9.279 -6.247 423 1HD ARG 56 2HD ARG 56 -3.083 11.227 -6.426 424 2HD ARG 56 1HD ARG 56 -3.086 9.755 -7.398 425 HE ARG 56 HE ARG 56 -5.548 11.119 -7.670 426 1HH1 ARG 56 1HH1 ARG 56 -2.202 11.297 -8.634 427 2HH1 ARG 56 2HH1 ARG 56 -2.537 12.159 -10.098 428 1HH2 ARG 56 1HH2 ARG 56 -5.997 12.247 -9.595 429 2HH2 ARG 56 2HH2 ARG 56 -4.697 12.699 -10.645 430 H MET 57 H MET 57 -8.444 9.154 -3.516 431 HA MET 57 HA MET 57 -10.463 9.046 -4.531 432 1HB MET 57 2HB MET 57 -10.041 11.620 -4.190 433 2HB MET 57 1HB MET 57 -9.991 11.624 -5.949 434 1HG MET 57 2HG MET 57 -12.240 10.209 -5.559 435 2HG MET 57 1HG MET 57 -12.259 11.219 -4.115 436 1HE MET 57 1HE MET 57 -14.830 11.954 -6.330 437 2HE MET 57 2HE MET 57 -13.786 10.680 -6.960 438 3HE MET 57 3HE MET 57 -14.046 12.153 -7.896 439 HA PRO 58 HA PRO 58 -8.441 8.081 -8.724 440 1HB PRO 58 2HB PRO 58 -8.211 5.384 -8.409 441 2HB PRO 58 1HB PRO 58 -6.919 6.522 -8.011 442 1HG PRO 58 2HG PRO 58 -8.888 5.183 -6.199 443 2HG PRO 58 1HG PRO 58 -7.157 5.478 -5.955 444 1HD PRO 58 2HD PRO 58 -9.087 7.013 -4.829 445 2HD PRO 58 1HD PRO 58 -7.497 7.649 -5.285 446 H GLY 59 H GLY 59 -10.154 5.244 -7.456 447 1HA GLY 59 2HA GLY 59 -12.275 5.735 -9.442 448 2HA GLY 59 1HA GLY 59 -11.804 4.151 -8.842 449 H MET 60 H MET 60 -11.641 5.278 -6.065 450 HA MET 60 HA MET 60 -14.324 6.066 -5.389 451 1HB MET 60 2HB MET 60 -14.295 3.488 -5.732 452 2HB MET 60 1HB MET 60 -13.420 3.459 -4.208 453 1HG MET 60 2HG MET 60 -15.293 3.658 -3.061 454 2HG MET 60 1HG MET 60 -15.730 5.121 -3.945 455 1HE MET 60 1HE MET 60 -18.220 3.843 -3.098 456 2HE MET 60 2HE MET 60 -19.101 3.582 -4.604 457 3HE MET 60 3HE MET 60 -18.159 5.056 -4.378 458 H ASP 61 H ASP 61 -12.537 7.677 -4.800 459 HA ASP 61 HA ASP 61 -11.594 8.896 -3.125 460 1HB ASP 61 2HB ASP 61 -13.370 7.144 -1.782 461 2HB ASP 61 1HB ASP 61 -11.882 7.229 -0.844 462 H GLY 62 H GLY 62 -10.790 5.592 -3.588 463 1HA GLY 62 2HA GLY 62 -8.289 5.353 -3.931 464 2HA GLY 62 1HA GLY 62 -8.182 5.958 -2.285 465 H LEU 63 H LEU 63 -10.629 4.619 -1.494 466 HA LEU 63 HA LEU 63 -9.496 2.162 -0.674 467 1HB LEU 63 2HB LEU 63 -12.422 2.765 -0.486 468 2HB LEU 63 1HB LEU 63 -11.425 1.816 0.600 469 HG LEU 63 HG LEU 63 -10.257 4.202 0.950 470 1HD1 LEU 63 1HD1 LEU 63 -12.086 5.093 -0.701 471 2HD1 LEU 63 2HD1 LEU 63 -11.624 6.029 0.720 472 3HD1 LEU 63 3HD1 LEU 63 -13.098 5.064 0.738 473 1HD2 LEU 63 1HD2 LEU 63 -11.430 2.562 2.553 474 2HD2 LEU 63 2HD2 LEU 63 -12.816 3.635 2.382 475 3HD2 LEU 63 3HD2 LEU 63 -11.296 4.258 3.026 476 H ALA 64 H ALA 64 -11.160 3.192 -3.457 477 HA ALA 64 HA ALA 64 -12.654 0.983 -4.221 478 1HB ALA 64 1HB ALA 64 -12.904 2.137 -6.118 479 2HB ALA 64 2HB ALA 64 -11.178 2.064 -6.470 480 3HB ALA 64 3HB ALA 64 -11.813 3.346 -5.436 481 H LEU 65 H LEU 65 -9.201 1.477 -4.229 482 HA LEU 65 HA LEU 65 -8.421 -0.661 -5.873 483 1HB LEU 65 2HB LEU 65 -7.182 1.254 -4.166 484 2HB LEU 65 1HB LEU 65 -6.551 -0.325 -3.742 485 HG LEU 65 HG LEU 65 -6.304 -0.474 -6.409 486 1HD1 LEU 65 1HD1 LEU 65 -5.565 2.377 -5.971 487 2HD1 LEU 65 2HD1 LEU 65 -7.234 1.974 -6.364 488 3HD1 LEU 65 3HD1 LEU 65 -5.938 1.524 -7.467 489 1HD2 LEU 65 1HD2 LEU 65 -4.071 -0.413 -6.013 490 2HD2 LEU 65 2HD2 LEU 65 -4.621 -0.477 -4.339 491 3HD2 LEU 65 3HD2 LEU 65 -4.165 1.067 -5.060 492 H LEU 66 H LEU 66 -9.027 -0.431 -2.422 493 HA LEU 66 HA LEU 66 -8.226 -2.974 -1.635 494 1HB LEU 66 2HB LEU 66 -10.322 -1.116 -0.526 495 2HB LEU 66 1HB LEU 66 -9.852 -2.606 0.270 496 HG LEU 66 HG LEU 66 -8.651 -0.878 1.349 497 1HD1 LEU 66 1HD1 LEU 66 -6.445 -1.612 -0.443 498 2HD1 LEU 66 2HD1 LEU 66 -7.367 -2.964 0.213 499 3HD1 LEU 66 3HD1 LEU 66 -6.605 -1.805 1.303 500 1HD2 LEU 66 1HD2 LEU 66 -8.893 0.503 -1.011 501 2HD2 LEU 66 2HD2 LEU 66 -7.159 0.216 -0.881 502 3HD2 LEU 66 3HD2 LEU 66 -8.018 1.034 0.424 503 H LYS 67 H LYS 67 -11.407 -1.843 -2.734 504 HA LYS 67 HA LYS 67 -12.835 -4.208 -2.371 505 1HB LYS 67 2HB LYS 67 -13.121 -2.080 -4.496 506 2HB LYS 67 1HB LYS 67 -14.278 -3.382 -4.262 507 1HG LYS 67 2HG LYS 67 -13.934 -2.234 -1.740 508 2HG LYS 67 1HG LYS 67 -14.035 -0.883 -2.871 509 1HD LYS 67 2HD LYS 67 -16.259 -1.311 -2.260 510 2HD LYS 67 1HD LYS 67 -16.077 -2.078 -3.840 511 1HE LYS 67 2HE LYS 67 -16.092 -4.211 -2.951 512 2HE LYS 67 1HE LYS 67 -15.572 -3.661 -1.358 513 1HZ LYS 67 1HZ LYS 67 -18.128 -2.619 -2.195 514 2HZ LYS 67 2HZ LYS 67 -17.667 -3.301 -0.717 515 3HZ LYS 67 3HZ LYS 67 -18.100 -4.302 -2.011 516 H GLN 68 H GLN 68 -10.970 -3.114 -5.189 517 HA GLN 68 HA GLN 68 -11.450 -5.328 -6.843 518 1HB GLN 68 2HB GLN 68 -8.847 -3.811 -6.838 519 2HB GLN 68 1HB GLN 68 -9.656 -4.580 -8.194 520 1HG GLN 68 2HG GLN 68 -10.894 -2.260 -6.768 521 2HG GLN 68 1HG GLN 68 -9.683 -2.025 -8.025 522 1HE2 GLN 68 1HE2 GLN 68 -12.580 -1.365 -7.870 523 2HE2 GLN 68 2HE2 GLN 68 -13.276 -2.076 -9.283 524 H ILE 69 H ILE 69 -9.253 -4.845 -4.179 525 HA ILE 69 HA ILE 69 -7.427 -6.884 -4.645 526 HB ILE 69 HB ILE 69 -8.462 -5.782 -2.043 527 1HG1 ILE 69 2HG1 ILE 69 -5.873 -5.354 -3.549 528 2HG1 ILE 69 1HG1 ILE 69 -7.201 -4.209 -3.439 529 1HG2 ILE 69 1HG2 ILE 69 -7.696 -7.782 -1.261 530 2HG2 ILE 69 2HG2 ILE 69 -6.205 -6.837 -1.216 531 3HG2 ILE 69 3HG2 ILE 69 -6.499 -7.956 -2.546 532 1HD1 ILE 69 1HD1 ILE 69 -4.999 -4.618 -1.660 533 2HD1 ILE 69 2HD1 ILE 69 -6.522 -4.843 -0.801 534 3HD1 ILE 69 3HD1 ILE 69 -6.213 -3.338 -1.668 535 H LYS 70 H LYS 70 -10.455 -6.988 -2.869 536 HA LYS 70 HA LYS 70 -10.337 -9.694 -2.157 537 1HB LYS 70 2HB LYS 70 -12.637 -9.495 -1.526 538 2HB LYS 70 1HB LYS 70 -11.822 -7.992 -1.126 539 1HG LYS 70 2HG LYS 70 -13.106 -6.785 -2.486 540 2HG LYS 70 1HG LYS 70 -13.041 -7.985 -3.776 541 1HD LYS 70 2HD LYS 70 -14.656 -9.360 -2.384 542 2HD LYS 70 1HD LYS 70 -14.867 -7.919 -1.388 543 1HE LYS 70 2HE LYS 70 -15.487 -6.682 -3.481 544 2HE LYS 70 1HE LYS 70 -15.481 -8.232 -4.321 545 1HZ LYS 70 1HZ LYS 70 -17.044 -8.517 -2.026 546 2HZ LYS 70 2HZ LYS 70 -17.550 -8.548 -3.640 547 3HZ LYS 70 3HZ LYS 70 -17.534 -7.087 -2.786 548 H GLN 71 H GLN 71 -11.503 -8.132 -5.043 549 HA GLN 71 HA GLN 71 -12.839 -10.416 -6.077 550 1HB GLN 71 2HB GLN 71 -12.024 -7.767 -7.172 551 2HB GLN 71 1HB GLN 71 -12.515 -9.033 -8.291 552 1HG GLN 71 2HG GLN 71 -14.685 -8.995 -7.608 553 2HG GLN 71 1HG GLN 71 -14.277 -8.469 -5.973 554 1HE2 GLN 71 1HE2 GLN 71 -13.142 -6.219 -6.020 555 2HE2 GLN 71 2HE2 GLN 71 -13.969 -5.015 -6.941 556 H ARG 72 H ARG 72 -9.592 -9.187 -6.326 557 HA ARG 72 HA ARG 72 -8.911 -11.379 -8.153 558 1HB ARG 72 2HB ARG 72 -7.494 -8.783 -7.600 559 2HB ARG 72 1HB ARG 72 -6.842 -10.058 -8.621 560 1HG ARG 72 2HG ARG 72 -8.439 -9.734 -10.270 561 2HG ARG 72 1HG ARG 72 -9.545 -8.907 -9.174 562 1HD ARG 72 2HD ARG 72 -8.668 -6.925 -9.670 563 2HD ARG 72 1HD ARG 72 -7.032 -7.503 -9.355 564 HE ARG 72 HE ARG 72 -7.721 -8.528 -11.812 565 1HH1 ARG 72 1HH1 ARG 72 -7.451 -5.345 -10.406 566 2HH1 ARG 72 2HH1 ARG 72 -7.023 -4.587 -11.903 567 1HH2 ARG 72 1HH2 ARG 72 -7.163 -7.529 -13.778 568 2HH2 ARG 72 2HH2 ARG 72 -6.862 -5.824 -13.815 569 H HIS 73 H HIS 73 -7.201 -9.578 -5.648 570 HA HIS 73 HA HIS 73 -5.569 -11.874 -5.026 571 1HB HIS 73 2HB HIS 73 -5.453 -9.543 -3.218 572 2HB HIS 73 1HB HIS 73 -4.151 -10.417 -4.019 573 HD1 HIS 73 1HD HIS 73 -4.438 -9.928 -6.879 574 HD2 HIS 73 2HD HIS 73 -5.487 -7.022 -4.113 575 HE1 HIS 73 1HE HIS 73 -4.416 -7.756 -8.146 576 HE2 HIS 73 2HE HIS 73 -5.156 -6.024 -6.473 577 HA PRO 74 HA PRO 74 -7.743 -13.269 -1.452 578 1HB PRO 74 2HB PRO 74 -5.733 -14.127 0.163 579 2HB PRO 74 1HB PRO 74 -6.212 -14.955 -1.319 580 1HG PRO 74 2HG PRO 74 -3.816 -13.347 -0.761 581 2HG PRO 74 1HG PRO 74 -4.085 -14.573 -2.008 582 1HD PRO 74 2HD PRO 74 -4.133 -11.734 -2.301 583 2HD PRO 74 1HD PRO 74 -4.467 -12.961 -3.536 584 H MET 75 H MET 75 -4.845 -11.905 0.110 585 HA MET 75 HA MET 75 -6.445 -9.903 1.475 586 1HB MET 75 2HB MET 75 -5.078 -12.175 2.915 587 2HB MET 75 1HB MET 75 -5.524 -10.676 3.715 588 1HG MET 75 2HG MET 75 -7.857 -11.061 3.207 589 2HG MET 75 1HG MET 75 -7.441 -12.523 2.314 590 1HE MET 75 1HE MET 75 -5.534 -13.978 3.520 591 2HE MET 75 2HE MET 75 -6.868 -15.065 3.902 592 3HE MET 75 3HE MET 75 -5.734 -14.583 5.163 593 H LEU 76 H LEU 76 -4.494 -9.474 -0.393 594 HA LEU 76 HA LEU 76 -1.878 -9.225 0.503 595 1HB LEU 76 2HB LEU 76 -2.553 -8.952 -1.836 596 2HB LEU 76 1HB LEU 76 -3.347 -7.442 -1.434 597 HG LEU 76 HG LEU 76 -1.049 -6.623 -0.667 598 1HD1 LEU 76 1HD1 LEU 76 0.600 -8.049 -2.324 599 2HD1 LEU 76 2HD1 LEU 76 -0.412 -9.305 -1.614 600 3HD1 LEU 76 3HD1 LEU 76 0.507 -8.220 -0.572 601 1HD2 LEU 76 1HD2 LEU 76 -1.994 -7.080 -3.443 602 2HD2 LEU 76 2HD2 LEU 76 -0.349 -6.480 -3.223 603 3HD2 LEU 76 3HD2 LEU 76 -1.715 -5.570 -2.573 604 HA PRO 77 HA PRO 77 -2.525 -6.141 3.718 605 1HB PRO 77 2HB PRO 77 0.173 -5.797 4.217 606 2HB PRO 77 1HB PRO 77 -0.849 -7.019 4.977 607 1HG PRO 77 2HG PRO 77 1.042 -7.283 2.691 608 2HG PRO 77 1HG PRO 77 0.694 -8.426 3.999 609 1HD PRO 77 2HD PRO 77 -0.290 -8.735 1.507 610 2HD PRO 77 1HD PRO 77 -1.191 -9.242 2.950 611 H VAL 78 H VAL 78 -2.946 -4.126 3.252 612 HA VAL 78 HA VAL 78 -1.130 -2.599 1.530 613 HB VAL 78 HB VAL 78 -4.091 -2.073 1.660 614 1HG1 VAL 78 1HG1 VAL 78 -1.806 -0.908 0.307 615 2HG1 VAL 78 2HG1 VAL 78 -3.431 -0.265 0.542 616 3HG1 VAL 78 3HG1 VAL 78 -3.095 -1.343 -0.814 617 1HG2 VAL 78 1HG2 VAL 78 -4.588 -3.741 0.269 618 2HG2 VAL 78 2HG2 VAL 78 -2.978 -4.389 0.580 619 3HG2 VAL 78 3HG2 VAL 78 -3.250 -3.330 -0.803 620 H ILE 79 H ILE 79 -0.978 -0.352 1.964 621 HA ILE 79 HA ILE 79 -1.967 0.465 4.612 622 HB ILE 79 HB ILE 79 0.735 1.238 3.526 623 1HG1 ILE 79 2HG1 ILE 79 0.921 -0.485 5.803 624 2HG1 ILE 79 1HG1 ILE 79 -0.053 -1.285 4.574 625 1HG2 ILE 79 1HG2 ILE 79 0.129 1.278 6.408 626 2HG2 ILE 79 2HG2 ILE 79 -0.727 2.461 5.419 627 3HG2 ILE 79 3HG2 ILE 79 1.035 2.423 5.420 628 1HD1 ILE 79 1HD1 ILE 79 1.685 -1.249 3.016 629 2HD1 ILE 79 2HD1 ILE 79 2.448 -1.697 4.542 630 3HD1 ILE 79 3HD1 ILE 79 2.596 -0.050 3.933 631 H ILE 80 H ILE 80 -3.323 2.094 4.347 632 HA ILE 80 HA ILE 80 -3.048 3.870 2.047 633 HB ILE 80 HB ILE 80 -5.250 3.921 4.100 634 1HG1 ILE 80 2HG1 ILE 80 -5.003 1.641 3.132 635 2HG1 ILE 80 1HG1 ILE 80 -6.523 2.412 2.699 636 1HG2 ILE 80 1HG2 ILE 80 -4.732 5.204 1.500 637 2HG2 ILE 80 2HG2 ILE 80 -5.650 5.778 2.891 638 3HG2 ILE 80 3HG2 ILE 80 -6.377 4.628 1.769 639 1HD1 ILE 80 1HD1 ILE 80 -6.090 2.103 0.562 640 2HD1 ILE 80 2HD1 ILE 80 -4.588 1.289 0.998 641 3HD1 ILE 80 3HD1 ILE 80 -4.597 3.029 0.706 642 H MET 81 H MET 81 -2.669 6.047 2.187 643 HA MET 81 HA MET 81 -1.370 6.957 4.585 644 1HB MET 81 2HB MET 81 -0.766 8.916 3.334 645 2HB MET 81 1HB MET 81 -0.503 7.498 2.332 646 1HG MET 81 2HG MET 81 -1.895 8.229 0.772 647 2HG MET 81 1HG MET 81 -3.148 8.597 1.953 648 1HE MET 81 1HE MET 81 -4.097 11.076 1.641 649 2HE MET 81 2HE MET 81 -3.709 10.362 0.077 650 3HE MET 81 3HE MET 81 -3.265 12.035 0.418 651 H THR 82 H THR 82 -4.437 7.543 2.981 652 HA THR 82 HA THR 82 -5.379 8.945 5.354 653 HB THR 82 HB THR 82 -5.698 10.149 2.605 654 HG1 THR 82 1HG THR 82 -4.240 11.605 4.358 655 1HG2 THR 82 1HG2 THR 82 -6.277 12.193 3.956 656 2HG2 THR 82 2HG2 THR 82 -6.438 11.120 5.346 657 3HG2 THR 82 3HG2 THR 82 -7.478 10.905 3.938 658 H ALA 83 H ALA 83 -7.591 8.807 5.706 659 HA ALA 83 HA ALA 83 -8.946 6.744 4.179 660 1HB ALA 83 1HB ALA 83 -10.316 8.126 6.413 661 2HB ALA 83 2HB ALA 83 -8.895 7.154 6.799 662 3HB ALA 83 3HB ALA 83 -10.277 6.414 5.989 663 H HIS 84 H HIS 84 -9.017 10.185 4.536 664 HA HIS 84 HA HIS 84 -10.346 11.828 3.698 665 1HB HIS 84 2HB HIS 84 -10.036 9.819 1.518 666 2HB HIS 84 1HB HIS 84 -11.068 11.220 1.247 667 HD1 HIS 84 1HD HIS 84 -8.971 12.995 3.106 668 HD2 HIS 84 2HD HIS 84 -8.229 10.880 -0.387 669 HE1 HIS 84 1HE HIS 84 -6.899 14.025 2.125 670 HE2 HIS 84 2HE HIS 84 -6.427 12.680 0.048 671 H SER 85 H SER 85 -11.790 10.295 5.445 672 HA SER 85 HA SER 85 -13.901 9.751 6.094 673 1HB SER 85 2HB SER 85 -14.434 11.829 3.975 674 2HB SER 85 1HB SER 85 -15.720 11.137 4.962 675 HG SER 85 HG SER 85 -14.141 11.795 6.763 676 H ASP 86 H ASP 86 -13.786 7.571 5.418 677 HA ASP 86 HA ASP 86 -15.890 6.676 3.836 678 1HB ASP 86 2HB ASP 86 -13.579 7.436 2.299 679 2HB ASP 86 1HB ASP 86 -13.832 5.703 2.164 680 H LEU 87 H LEU 87 -14.568 6.088 6.310 681 HA LEU 87 HA LEU 87 -12.915 3.912 6.368 682 1HB LEU 87 2HB LEU 87 -14.613 5.258 8.202 683 2HB LEU 87 1HB LEU 87 -14.867 3.537 8.407 684 HG LEU 87 HG LEU 87 -13.168 4.337 9.943 685 1HD1 LEU 87 1HD1 LEU 87 -11.917 2.490 9.740 686 2HD1 LEU 87 2HD1 LEU 87 -11.427 2.878 8.090 687 3HD1 LEU 87 3HD1 LEU 87 -12.991 2.119 8.390 688 1HD2 LEU 87 1HD2 LEU 87 -12.453 6.132 8.116 689 2HD2 LEU 87 2HD2 LEU 87 -11.236 4.904 7.768 690 3HD2 LEU 87 3HD2 LEU 87 -11.357 5.590 9.387 691 H ASP 88 H ASP 88 -16.199 3.967 5.318 692 HA ASP 88 HA ASP 88 -17.129 1.453 5.839 693 1HB ASP 88 2HB ASP 88 -18.373 1.629 3.666 694 2HB ASP 88 1HB ASP 88 -18.528 3.033 4.717 695 H ALA 89 H ALA 89 -15.348 2.297 2.842 696 HA ALA 89 HA ALA 89 -14.956 -0.451 2.193 697 1HB ALA 89 1HB ALA 89 -15.137 1.311 0.471 698 2HB ALA 89 2HB ALA 89 -13.675 0.339 0.308 699 3HB ALA 89 3HB ALA 89 -13.587 1.956 1.008 700 H ALA 90 H ALA 90 -13.328 1.831 4.144 701 HA ALA 90 HA ALA 90 -10.686 0.896 3.990 702 1HB ALA 90 1HB ALA 90 -10.324 2.039 6.097 703 2HB ALA 90 2HB ALA 90 -12.065 2.154 6.355 704 3HB ALA 90 3HB ALA 90 -11.311 3.032 5.024 705 H VAL 91 H VAL 91 -13.332 0.001 6.221 706 HA VAL 91 HA VAL 91 -11.770 -1.888 7.640 707 HB VAL 91 HB VAL 91 -14.762 -2.045 7.413 708 1HG1 VAL 91 1HG1 VAL 91 -12.648 -3.205 9.105 709 2HG1 VAL 91 2HG1 VAL 91 -14.250 -3.831 8.693 710 3HG1 VAL 91 3HG1 VAL 91 -14.076 -2.628 9.972 711 1HG2 VAL 91 1HG2 VAL 91 -14.909 -0.518 9.306 712 2HG2 VAL 91 2HG2 VAL 91 -14.126 0.276 7.940 713 3HG2 VAL 91 3HG2 VAL 91 -13.157 -0.307 9.292 714 H SER 92 H SER 92 -13.953 -2.146 4.871 715 HA SER 92 HA SER 92 -13.881 -4.956 4.671 716 1HB SER 92 2HB SER 92 -14.206 -2.951 2.420 717 2HB SER 92 1HB SER 92 -14.627 -4.664 2.360 718 HG SER 92 HG SER 92 -15.752 -3.101 4.386 719 H ALA 93 H ALA 93 -11.503 -2.590 4.147 720 HA ALA 93 HA ALA 93 -9.999 -3.972 2.172 721 1HB ALA 93 1HB ALA 93 -8.343 -2.325 2.487 722 2HB ALA 93 2HB ALA 93 -8.990 -1.896 4.070 723 3HB ALA 93 3HB ALA 93 -9.907 -1.515 2.609 724 H TYR 94 H TYR 94 -9.235 -3.227 5.527 725 HA TYR 94 HA TYR 94 -7.031 -4.717 5.941 726 1HB TYR 94 2HB TYR 94 -9.195 -4.861 8.012 727 2HB TYR 94 1HB TYR 94 -7.461 -4.678 8.245 728 HD1 TYR 94 1HD TYR 94 -10.343 -3.033 8.818 729 HD2 TYR 94 2HD TYR 94 -6.673 -2.418 6.747 730 HE1 TYR 94 1HE TYR 94 -10.630 -0.598 9.034 731 HE2 TYR 94 2HE TYR 94 -6.954 0.010 6.955 732 HH TYR 94 HH TYR 94 -9.282 1.430 9.003 733 H GLN 95 H GLN 95 -10.309 -5.889 6.056 734 HA GLN 95 HA GLN 95 -9.656 -8.574 6.684 735 1HB GLN 95 2HB GLN 95 -12.055 -8.954 5.921 736 2HB GLN 95 1HB GLN 95 -11.799 -7.824 7.244 737 1HG GLN 95 2HG GLN 95 -12.715 -6.156 6.142 738 2HG GLN 95 1HG GLN 95 -11.747 -6.474 4.713 739 1HE2 GLN 95 1HE2 GLN 95 -13.131 -6.444 3.070 740 2HE2 GLN 95 2HE2 GLN 95 -14.612 -7.332 2.993 741 H GLN 96 H GLN 96 -10.549 -6.960 3.638 742 HA GLN 96 HA GLN 96 -10.204 -9.297 2.060 743 1HB GLN 96 2HB GLN 96 -10.692 -6.395 1.498 744 2HB GLN 96 1HB GLN 96 -10.346 -7.521 0.184 745 1HG GLN 96 2HG GLN 96 -12.291 -8.719 0.558 746 2HG GLN 96 1HG GLN 96 -12.466 -8.074 2.191 747 1HE2 GLN 96 1HE2 GLN 96 -14.695 -7.858 1.065 748 2HE2 GLN 96 2HE2 GLN 96 -15.014 -6.313 0.364 749 H GLY 97 H GLY 97 -8.006 -7.150 3.427 750 1HA GLY 97 2HA GLY 97 -5.654 -8.038 2.967 751 2HA GLY 97 1HA GLY 97 -6.027 -7.630 1.298 752 H ALA 98 H ALA 98 -5.618 -6.290 4.531 753 HA ALA 98 HA ALA 98 -4.213 -4.039 3.545 754 1HB ALA 98 1HB ALA 98 -5.873 -2.645 3.120 755 2HB ALA 98 2HB ALA 98 -6.251 -2.657 4.842 756 3HB ALA 98 3HB ALA 98 -7.053 -3.784 3.754 757 H PHE 99 H PHE 99 -2.902 -3.237 5.097 758 HA PHE 99 HA PHE 99 -2.908 -4.494 7.651 759 1HB PHE 99 2HB PHE 99 -0.801 -3.881 6.577 760 2HB PHE 99 1HB PHE 99 -1.252 -2.180 6.625 761 HD1 PHE 99 1HD PHE 99 -1.068 -5.037 9.023 762 HD2 PHE 99 2HD PHE 99 -0.216 -0.938 8.250 763 HE1 PHE 99 1HE PHE 99 -0.046 -4.833 11.252 764 HE2 PHE 99 2HE PHE 99 0.809 -0.729 10.478 765 HZ PHE 99 HZ PHE 99 0.894 -2.677 11.983 766 H ASP 100 H ASP 100 -3.361 -1.109 6.611 767 HA ASP 100 HA ASP 100 -5.495 -0.543 8.300 768 1HB ASP 100 2HB ASP 100 -3.322 -0.927 9.896 769 2HB ASP 100 1HB ASP 100 -3.210 0.805 9.603 770 H TYR 101 H TYR 101 -5.216 2.025 9.015 771 HA TYR 101 HA TYR 101 -4.519 3.379 6.496 772 1HB TYR 101 2HB TYR 101 -6.861 3.615 8.301 773 2HB TYR 101 1HB TYR 101 -6.230 5.123 7.643 774 HD1 TYR 101 1HD TYR 101 -7.480 1.765 6.663 775 HD2 TYR 101 2HD TYR 101 -6.733 5.772 5.447 776 HE1 TYR 101 1HE TYR 101 -8.681 1.345 4.556 777 HE2 TYR 101 2HE TYR 101 -7.922 5.359 3.338 778 HH TYR 101 HH TYR 101 -8.503 3.393 1.902 779 H LEU 102 H LEU 102 -3.632 5.497 6.649 780 HA LEU 102 HA LEU 102 -2.143 5.901 9.146 781 1HB LEU 102 2HB LEU 102 -0.788 5.530 7.173 782 2HB LEU 102 1HB LEU 102 -1.614 6.823 6.331 783 HG LEU 102 HG LEU 102 -0.656 8.254 8.364 784 1HD1 LEU 102 1HD1 LEU 102 1.014 5.783 8.245 785 2HD1 LEU 102 2HD1 LEU 102 0.521 6.739 9.643 786 3HD1 LEU 102 3HD1 LEU 102 1.786 7.335 8.569 787 1HD2 LEU 102 1HD2 LEU 102 1.427 7.691 6.383 788 2HD2 LEU 102 2HD2 LEU 102 0.599 9.195 6.763 789 3HD2 LEU 102 3HD2 LEU 102 -0.161 8.022 5.697 790 HA PRO 103 HA PRO 103 -4.547 9.527 10.030 791 1HB PRO 103 2HB PRO 103 -2.762 10.804 11.661 792 2HB PRO 103 1HB PRO 103 -3.757 9.438 12.175 793 1HG PRO 103 2HG PRO 103 -0.904 9.468 11.265 794 2HG PRO 103 1HG PRO 103 -1.635 8.597 12.628 795 1HD PRO 103 2HD PRO 103 -1.082 7.371 10.306 796 2HD PRO 103 1HD PRO 103 -2.512 6.945 11.263 797 H LYS 104 H LYS 104 -3.566 12.052 10.544 798 HA LYS 104 HA LYS 104 -3.438 13.253 8.086 799 1HB LYS 104 2HB LYS 104 -2.911 14.067 10.843 800 2HB LYS 104 1HB LYS 104 -2.010 15.007 9.661 801 1HG LYS 104 2HG LYS 104 -3.841 16.058 8.911 802 2HG LYS 104 1HG LYS 104 -4.838 14.606 9.005 803 1HD LYS 104 2HD LYS 104 -4.920 14.905 11.478 804 2HD LYS 104 1HD LYS 104 -4.072 16.439 11.275 805 1HE LYS 104 2HE LYS 104 -6.331 16.297 9.500 806 2HE LYS 104 1HE LYS 104 -6.835 15.978 11.159 807 1HZ LYS 104 1HZ LYS 104 -6.385 18.073 11.792 808 2HZ LYS 104 2HZ LYS 104 -6.575 18.419 10.148 809 3HZ LYS 104 3HZ LYS 104 -5.027 18.219 10.795 810 HA PRO 105 HA PRO 105 1.489 13.652 8.538 811 1HB PRO 105 2HB PRO 105 1.796 11.104 10.064 812 2HB PRO 105 1HB PRO 105 2.775 12.575 10.123 813 1HG PRO 105 2HG PRO 105 1.026 12.022 12.057 814 2HG PRO 105 1HG PRO 105 1.265 13.684 11.487 815 1HD PRO 105 2HD PRO 105 -0.994 11.811 10.982 816 2HD PRO 105 1HD PRO 105 -0.996 13.582 11.113 817 H PHE 106 H PHE 106 3.062 12.388 7.273 818 HA PHE 106 HA PHE 106 2.310 9.854 6.201 819 1HB PHE 106 2HB PHE 106 0.789 11.226 4.883 820 2HB PHE 106 1HB PHE 106 2.119 12.261 4.376 821 HD1 PHE 106 1HD PHE 106 3.018 11.883 2.293 822 HD2 PHE 106 2HD PHE 106 1.187 8.639 4.356 823 HE1 PHE 106 1HE PHE 106 3.407 10.427 0.349 824 HE2 PHE 106 2HE PHE 106 1.579 7.180 2.419 825 HZ PHE 106 HZ PHE 106 2.690 8.072 0.411 826 H ASP 107 H ASP 107 3.972 11.977 4.012 827 HA ASP 107 HA ASP 107 6.083 11.772 3.151 828 1HB ASP 107 2HB ASP 107 7.734 12.674 4.582 829 2HB ASP 107 1HB ASP 107 6.214 13.356 5.148 830 H ILE 108 H ILE 108 8.405 10.701 3.675 831 HA ILE 108 HA ILE 108 7.941 7.913 3.531 832 HB ILE 108 HB ILE 108 10.146 9.657 3.060 833 1HG1 ILE 108 2HG1 ILE 108 10.852 7.830 1.590 834 2HG1 ILE 108 1HG1 ILE 108 9.694 6.756 2.368 835 1HG2 ILE 108 1HG2 ILE 108 11.199 8.893 5.047 836 2HG2 ILE 108 2HG2 ILE 108 11.953 8.043 3.698 837 3HG2 ILE 108 3HG2 ILE 108 10.763 7.220 4.700 838 1HD1 ILE 108 1HD1 ILE 108 7.869 7.832 1.414 839 2HD1 ILE 108 2HD1 ILE 108 9.067 7.801 0.118 840 3HD1 ILE 108 3HD1 ILE 108 8.801 9.282 1.039 841 H ASP 109 H ASP 109 9.214 9.980 6.045 842 HA ASP 109 HA ASP 109 10.085 8.097 7.859 843 1HB ASP 109 2HB ASP 109 9.933 10.774 7.926 844 2HB ASP 109 1HB ASP 109 8.589 10.393 8.997 845 H GLU 110 H GLU 110 6.806 9.565 7.884 846 HA GLU 110 HA GLU 110 5.867 7.640 9.755 847 1HB GLU 110 2HB GLU 110 4.272 9.602 8.100 848 2HB GLU 110 1HB GLU 110 3.673 8.687 9.474 849 1HG GLU 110 2HG GLU 110 6.069 10.272 10.025 850 2HG GLU 110 1HG GLU 110 4.644 11.213 9.583 851 H ALA 111 H ALA 111 5.904 7.846 6.293 852 HA ALA 111 HA ALA 111 3.871 5.883 5.865 853 1HB ALA 111 1HB ALA 111 6.030 6.913 4.025 854 2HB ALA 111 2HB ALA 111 4.359 7.471 4.107 855 3HB ALA 111 3HB ALA 111 4.717 5.840 3.537 856 H VAL 112 H VAL 112 7.392 5.777 5.293 857 HA VAL 112 HA VAL 112 7.591 3.025 4.959 858 HB VAL 112 HB VAL 112 9.673 4.823 6.196 859 1HG1 VAL 112 1HG1 VAL 112 10.644 2.669 4.535 860 2HG1 VAL 112 2HG1 VAL 112 9.643 2.055 5.854 861 3HG1 VAL 112 3HG1 VAL 112 11.044 3.068 6.207 862 1HG2 VAL 112 1HG2 VAL 112 8.629 4.630 3.479 863 2HG2 VAL 112 2HG2 VAL 112 10.379 4.430 3.567 864 3HG2 VAL 112 3HG2 VAL 112 9.621 5.879 4.223 865 H ALA 113 H ALA 113 7.350 4.960 7.812 866 HA ALA 113 HA ALA 113 8.226 3.076 9.709 867 1HB ALA 113 1HB ALA 113 7.201 4.467 11.346 868 2HB ALA 113 2HB ALA 113 6.108 5.173 10.154 869 3HB ALA 113 3HB ALA 113 7.829 5.537 10.098 870 H LEU 114 H LEU 114 4.993 3.928 8.543 871 HA LEU 114 HA LEU 114 3.675 1.876 9.983 872 1HB LEU 114 2HB LEU 114 2.549 3.939 9.339 873 2HB LEU 114 1HB LEU 114 2.749 3.533 7.643 874 HG LEU 114 HG LEU 114 1.273 1.588 7.934 875 1HD1 LEU 114 1HD1 LEU 114 1.035 2.579 10.770 876 2HD1 LEU 114 2HD1 LEU 114 1.707 1.039 10.233 877 3HD1 LEU 114 3HD1 LEU 114 -0.015 1.367 10.035 878 1HD2 LEU 114 1HD2 LEU 114 -0.212 3.896 9.111 879 2HD2 LEU 114 2HD2 LEU 114 -0.700 2.776 7.840 880 3HD2 LEU 114 3HD2 LEU 114 0.486 4.035 7.498 881 H VAL 115 H VAL 115 5.334 1.914 6.957 882 HA VAL 115 HA VAL 115 3.878 -0.312 5.881 883 HB VAL 115 HB VAL 115 5.100 1.481 4.511 884 1HG1 VAL 115 1HG1 VAL 115 7.430 -0.392 4.836 885 2HG1 VAL 115 2HG1 VAL 115 7.287 1.142 5.686 886 3HG1 VAL 115 3HG1 VAL 115 7.371 1.119 3.931 887 1HG2 VAL 115 1HG2 VAL 115 4.688 0.139 2.779 888 2HG2 VAL 115 2HG2 VAL 115 4.303 -1.107 3.962 889 3HG2 VAL 115 3HG2 VAL 115 5.924 -1.014 3.281 890 H GLU 116 H GLU 116 7.117 0.103 7.295 891 HA GLU 116 HA GLU 116 7.874 -2.603 7.049 892 1HB GLU 116 2HB GLU 116 8.817 -0.451 8.949 893 2HB GLU 116 1HB GLU 116 9.573 -2.033 8.807 894 1HG GLU 116 2HG GLU 116 9.776 -1.447 6.300 895 2HG GLU 116 1HG GLU 116 9.510 0.211 6.836 896 H ARG 117 H ARG 117 6.311 -0.804 9.671 897 HA ARG 117 HA ARG 117 6.274 -2.913 11.535 898 1HB ARG 117 2HB ARG 117 4.414 -0.548 11.255 899 2HB ARG 117 1HB ARG 117 4.463 -1.622 12.647 900 1HG ARG 117 2HG ARG 117 7.037 -0.940 12.567 901 2HG ARG 117 1HG ARG 117 6.346 0.498 11.822 902 1HD ARG 117 2HD ARG 117 4.815 0.713 13.756 903 2HD ARG 117 1HD ARG 117 5.626 -0.659 14.507 904 HE ARG 117 HE ARG 117 7.464 0.678 14.951 905 1HH1 ARG 117 1HH1 ARG 117 5.132 2.437 13.027 906 2HH1 ARG 117 2HH1 ARG 117 5.893 3.970 13.291 907 1HH2 ARG 117 1HH2 ARG 117 8.458 2.694 15.289 908 2HH2 ARG 117 2HH2 ARG 117 7.778 4.116 14.570 909 H ALA 118 H ALA 118 4.399 -2.263 8.733 910 HA ALA 118 HA ALA 118 2.106 -3.803 9.387 911 1HB ALA 118 1HB ALA 118 1.389 -3.409 7.217 912 2HB ALA 118 2HB ALA 118 3.031 -3.376 6.575 913 3HB ALA 118 3HB ALA 118 2.431 -2.020 7.530 914 H ILE 119 H ILE 119 5.015 -4.455 7.461 915 HA ILE 119 HA ILE 119 4.365 -7.136 6.847 916 HB ILE 119 HB ILE 119 7.123 -5.927 6.964 917 1HG1 ILE 119 2HG1 ILE 119 5.684 -6.054 4.385 918 2HG1 ILE 119 1HG1 ILE 119 5.102 -4.844 5.524 919 1HG2 ILE 119 1HG2 ILE 119 7.483 -7.551 5.057 920 2HG2 ILE 119 2HG2 ILE 119 5.954 -8.294 5.534 921 3HG2 ILE 119 3HG2 ILE 119 7.306 -8.252 6.667 922 1HD1 ILE 119 1HD1 ILE 119 6.722 -3.831 4.102 923 2HD1 ILE 119 2HD1 ILE 119 7.881 -5.123 4.424 924 3HD1 ILE 119 3HD1 ILE 119 7.427 -4.002 5.709 925 H SER 120 H SER 120 6.006 -5.596 9.485 926 HA SER 120 HA SER 120 7.144 -7.955 10.591 927 1HB SER 120 2HB SER 120 7.966 -6.589 12.293 928 2HB SER 120 1HB SER 120 7.822 -5.464 10.944 929 HG SER 120 HG SER 120 6.868 -4.473 12.660 930 H HIS 121 H HIS 121 4.334 -5.956 11.448 931 HA HIS 121 HA HIS 121 3.494 -7.452 13.649 932 1HB HIS 121 2HB HIS 121 2.154 -5.539 11.789 933 2HB HIS 121 1HB HIS 121 1.160 -6.471 12.905 934 HD1 HIS 121 1HD HIS 121 4.545 -4.934 13.642 935 HD2 HIS 121 2HD HIS 121 0.560 -4.559 14.753 936 HE1 HIS 121 1HE HIS 121 4.531 -3.294 15.547 937 HE2 HIS 121 2HE HIS 121 2.102 -3.034 16.164 938 H TYR 122 H TYR 122 3.105 -8.009 10.258 939 HA TYR 122 HA TYR 122 1.058 -9.995 10.600 940 1HB TYR 122 2HB TYR 122 2.488 -8.787 8.288 941 2HB TYR 122 1HB TYR 122 1.782 -10.386 8.065 942 HD1 TYR 122 1HD TYR 122 -0.709 -10.362 9.424 943 HD2 TYR 122 2HD TYR 122 1.161 -7.176 7.313 944 HE1 TYR 122 1HE TYR 122 -2.910 -9.337 9.034 945 HE2 TYR 122 2HE TYR 122 -1.035 -6.143 6.915 946 HH TYR 122 HH TYR 122 -3.466 -6.982 6.786 947 H GLN 123 H GLN 123 4.440 -10.031 9.472 948 HA GLN 123 HA GLN 123 6.030 -11.657 9.485 949 1HB GLN 123 2HB GLN 123 5.025 -11.618 11.990 950 2HB GLN 123 1HB GLN 123 4.659 -13.279 11.548 951 1HG GLN 123 2HG GLN 123 7.351 -12.608 10.800 952 2HG GLN 123 1HG GLN 123 7.072 -12.258 12.505 953 1HE2 GLN 123 1HE2 GLN 123 8.850 -14.120 12.088 954 2HE2 GLN 123 2HE2 GLN 123 8.232 -15.706 12.378 955 H GLU 124 H GLU 124 6.217 -14.249 9.568 956 HA GLU 124 HA GLU 124 4.445 -15.153 7.447 957 1HB GLU 124 2HB GLU 124 6.009 -17.067 7.282 958 2HB GLU 124 1HB GLU 124 6.814 -15.513 7.117 959 1HG GLU 124 2HG GLU 124 6.777 -16.363 9.868 960 2HG GLU 124 1HG GLU 124 7.490 -17.598 8.833 Start of MODEL 26 1 1H MET 1 1HT MET 1 13.344 -16.861 0.547 2 2H MET 1 2HT MET 1 13.315 -16.368 -1.095 3 3H MET 1 3HT MET 1 13.514 -18.028 -0.698 4 HA MET 1 HA MET 1 11.331 -17.766 -1.390 5 1HB MET 1 2HB MET 1 12.029 -18.889 0.922 6 2HB MET 1 1HB MET 1 10.986 -17.633 1.570 7 1HG MET 1 2HG MET 1 9.782 -19.719 1.251 8 2HG MET 1 1HG MET 1 9.136 -18.438 0.227 9 1HE MET 1 1HE MET 1 12.559 -20.399 -1.286 10 2HE MET 1 2HE MET 1 11.763 -21.934 -0.935 11 3HE MET 1 3HE MET 1 12.021 -20.760 0.355 12 H GLN 2 H GLN 2 11.549 -15.748 1.547 13 HA GLN 2 HA GLN 2 9.450 -14.035 0.542 14 1HB GLN 2 2HB GLN 2 10.517 -14.693 3.117 15 2HB GLN 2 1HB GLN 2 10.564 -12.949 2.905 16 1HG GLN 2 2HG GLN 2 8.196 -12.910 2.424 17 2HG GLN 2 1HG GLN 2 8.124 -14.669 2.527 18 1HE2 GLN 2 1HE2 GLN 2 8.499 -15.658 4.578 19 2HE2 GLN 2 2HE2 GLN 2 8.172 -14.792 6.036 20 H ARG 3 H ARG 3 12.578 -13.317 1.983 21 HA ARG 3 HA ARG 3 14.231 -11.870 1.461 22 1HB ARG 3 2HB ARG 3 14.816 -11.606 -0.710 23 2HB ARG 3 1HB ARG 3 13.598 -12.849 -0.937 24 1HG ARG 3 2HG ARG 3 11.954 -10.983 -1.386 25 2HG ARG 3 1HG ARG 3 13.341 -9.895 -1.419 26 1HD ARG 3 2HD ARG 3 13.810 -12.225 -3.059 27 2HD ARG 3 1HD ARG 3 12.321 -11.409 -3.529 28 HE ARG 3 HE ARG 3 14.894 -9.987 -3.320 29 1HH1 ARG 3 1HH1 ARG 3 11.961 -10.741 -5.080 30 2HH1 ARG 3 2HH1 ARG 3 12.306 -9.628 -6.358 31 1HH2 ARG 3 1HH2 ARG 3 15.332 -8.534 -5.008 32 2HH2 ARG 3 2HH2 ARG 3 14.211 -8.381 -6.319 33 H GLY 4 H GLY 4 10.977 -10.824 0.753 34 1HA GLY 4 2HA GLY 4 10.067 -8.943 1.931 35 2HA GLY 4 1HA GLY 4 11.665 -8.213 1.907 36 H ILE 5 H ILE 5 8.655 -8.471 0.336 37 HA ILE 5 HA ILE 5 9.670 -6.759 -1.835 38 HB ILE 5 HB ILE 5 7.368 -8.652 -2.193 39 1HG1 ILE 5 2HG1 ILE 5 9.195 -10.115 -1.686 40 2HG1 ILE 5 1HG1 ILE 5 9.034 -10.106 -3.439 41 1HG2 ILE 5 1HG2 ILE 5 8.650 -6.627 -3.785 42 2HG2 ILE 5 2HG2 ILE 5 7.178 -7.543 -4.110 43 3HG2 ILE 5 3HG2 ILE 5 8.744 -8.196 -4.589 44 1HD1 ILE 5 1HD1 ILE 5 11.252 -9.321 -1.767 45 2HD1 ILE 5 2HD1 ILE 5 10.828 -8.081 -2.945 46 3HD1 ILE 5 3HD1 ILE 5 11.213 -9.716 -3.484 47 H VAL 6 H VAL 6 8.904 -4.783 -1.551 48 HA VAL 6 HA VAL 6 6.194 -4.429 -0.458 49 HB VAL 6 HB VAL 6 8.105 -3.335 0.758 50 1HG1 VAL 6 1HG1 VAL 6 9.656 -2.454 -0.593 51 2HG1 VAL 6 2HG1 VAL 6 8.604 -1.043 -0.606 52 3HG1 VAL 6 3HG1 VAL 6 8.531 -2.212 -1.913 53 1HG2 VAL 6 1HG2 VAL 6 6.588 -1.008 -0.123 54 2HG2 VAL 6 2HG2 VAL 6 6.664 -1.775 1.460 55 3HG2 VAL 6 3HG2 VAL 6 5.569 -2.400 0.233 56 H TRP 7 H TRP 7 4.630 -3.417 -1.656 57 HA TRP 7 HA TRP 7 5.473 -2.308 -4.254 58 1HB TRP 7 2HB TRP 7 3.175 -4.104 -3.570 59 2HB TRP 7 1HB TRP 7 3.043 -3.003 -4.937 60 HD1 TRP 7 HD1 TRP 7 6.513 -4.313 -4.470 61 HE1 TRP 7 1HE TRP 7 7.044 -6.084 -6.241 62 HE3 TRP 7 3HE TRP 7 1.801 -5.031 -6.315 63 HZ2 TRP 7 2HZ TRP 7 5.650 -7.612 -8.154 64 HZ3 TRP 7 3HZ TRP 7 1.491 -6.677 -8.115 65 HH2 TRP 7 HH2 TRP 7 3.378 -7.941 -9.013 66 H VAL 8 H VAL 8 4.996 -0.261 -4.591 67 HA VAL 8 HA VAL 8 3.020 1.050 -2.830 68 HB VAL 8 HB VAL 8 5.032 2.699 -4.253 69 1HG1 VAL 8 1HG1 VAL 8 3.528 3.838 -2.825 70 2HG1 VAL 8 2HG1 VAL 8 5.083 3.806 -1.989 71 3HG1 VAL 8 3HG1 VAL 8 3.803 2.695 -1.512 72 1HG2 VAL 8 1HG2 VAL 8 5.781 0.547 -2.375 73 2HG2 VAL 8 2HG2 VAL 8 6.495 2.125 -2.065 74 3HG2 VAL 8 3HG2 VAL 8 6.731 1.345 -3.629 75 H VAL 9 H VAL 9 1.568 2.560 -3.718 76 HA VAL 9 HA VAL 9 1.522 2.675 -6.664 77 HB VAL 9 HB VAL 9 -1.132 3.004 -5.551 78 1HG1 VAL 9 1HG1 VAL 9 -1.602 1.172 -7.217 79 2HG1 VAL 9 2HG1 VAL 9 0.127 1.131 -7.543 80 3HG1 VAL 9 3HG1 VAL 9 -0.793 2.596 -7.877 81 1HG2 VAL 9 1HG2 VAL 9 0.214 0.355 -5.021 82 2HG2 VAL 9 2HG2 VAL 9 -1.511 0.684 -4.858 83 3HG2 VAL 9 3HG2 VAL 9 -0.356 1.492 -3.798 84 H ASP 10 H ASP 10 2.010 4.676 -7.238 85 HA ASP 10 HA ASP 10 0.460 6.904 -6.294 86 1HB ASP 10 2HB ASP 10 2.612 6.341 -4.732 87 2HB ASP 10 1HB ASP 10 3.333 7.442 -5.903 88 H ASP 11 H ASP 11 2.242 8.951 -7.064 89 HA ASP 11 HA ASP 11 1.824 8.958 -9.852 90 1HB ASP 11 2HB ASP 11 2.880 10.806 -7.844 91 2HB ASP 11 1HB ASP 11 3.638 10.983 -9.423 92 H ASP 12 H ASP 12 4.111 7.243 -8.228 93 HA ASP 12 HA ASP 12 5.955 6.106 -8.916 94 1HB ASP 12 2HB ASP 12 4.540 6.489 -11.235 95 2HB ASP 12 1HB ASP 12 6.088 7.223 -11.635 96 H SER 13 H SER 13 7.942 6.966 -10.808 97 HA SER 13 HA SER 13 9.984 7.958 -10.520 98 1HB SER 13 2HB SER 13 8.385 9.292 -12.053 99 2HB SER 13 1HB SER 13 8.460 10.511 -10.785 100 HG SER 13 HG SER 13 10.854 10.190 -11.021 101 H SER 14 H SER 14 8.340 10.723 -9.137 102 HA SER 14 HA SER 14 10.248 11.172 -7.175 103 1HB SER 14 2HB SER 14 8.770 12.952 -7.794 104 2HB SER 14 1HB SER 14 7.350 12.022 -7.312 105 HG SER 14 HG SER 14 7.898 13.518 -5.704 106 H ILE 15 H ILE 15 6.971 9.844 -6.675 107 HA ILE 15 HA ILE 15 7.444 9.121 -3.993 108 HB ILE 15 HB ILE 15 5.407 7.826 -5.791 109 1HG1 ILE 15 2HG1 ILE 15 5.276 10.292 -5.990 110 2HG1 ILE 15 1HG1 ILE 15 3.867 9.616 -5.182 111 1HG2 ILE 15 1HG2 ILE 15 5.191 8.445 -2.860 112 2HG2 ILE 15 2HG2 ILE 15 5.896 6.941 -3.456 113 3HG2 ILE 15 3HG2 ILE 15 4.218 7.334 -3.823 114 1HD1 ILE 15 1HD1 ILE 15 6.199 10.976 -3.858 115 2HD1 ILE 15 2HD1 ILE 15 4.823 10.258 -3.020 116 3HD1 ILE 15 3HD1 ILE 15 4.582 11.640 -4.086 117 H ARG 16 H ARG 16 8.183 7.567 -6.983 118 HA ARG 16 HA ARG 16 8.478 4.937 -5.866 119 1HB ARG 16 2HB ARG 16 7.930 5.233 -8.241 120 2HB ARG 16 1HB ARG 16 9.462 6.057 -8.498 121 1HG ARG 16 2HG ARG 16 10.527 3.883 -7.606 122 2HG ARG 16 1HG ARG 16 8.955 3.161 -7.943 123 1HD ARG 16 2HD ARG 16 9.307 4.367 -10.267 124 2HD ARG 16 1HD ARG 16 11.002 4.222 -9.817 125 HE ARG 16 HE ARG 16 9.132 2.007 -10.279 126 1HH1 ARG 16 1HH1 ARG 16 12.402 3.132 -9.746 127 2HH1 ARG 16 2HH1 ARG 16 13.118 1.612 -10.158 128 1HH2 ARG 16 1HH2 ARG 16 10.084 0.013 -10.813 129 2HH2 ARG 16 2HH2 ARG 16 11.806 -0.155 -10.760 130 H TRP 17 H TRP 17 10.641 7.595 -6.738 131 HA TRP 17 HA TRP 17 13.040 6.214 -6.246 132 1HB TRP 17 2HB TRP 17 12.931 8.305 -7.549 133 2HB TRP 17 1HB TRP 17 12.542 9.187 -6.074 134 HD1 TRP 17 HD1 TRP 17 15.449 7.261 -7.711 135 HE1 TRP 17 1HE TRP 17 17.646 8.018 -6.604 136 HE3 TRP 17 3HE TRP 17 13.515 10.233 -4.029 137 HZ2 TRP 17 2HZ TRP 17 18.451 9.663 -4.451 138 HZ3 TRP 17 3HZ TRP 17 15.063 11.361 -2.487 139 HH2 TRP 17 HH2 TRP 17 17.479 11.081 -2.693 140 H VAL 18 H VAL 18 10.990 8.197 -4.171 141 HA VAL 18 HA VAL 18 12.767 8.226 -1.980 142 HB VAL 18 HB VAL 18 9.793 8.492 -1.700 143 1HG1 VAL 18 1HG1 VAL 18 11.095 8.488 0.343 144 2HG1 VAL 18 2HG1 VAL 18 10.426 10.092 0.054 145 3HG1 VAL 18 3HG1 VAL 18 12.127 9.770 -0.283 146 1HG2 VAL 18 1HG2 VAL 18 10.928 11.049 -2.057 147 2HG2 VAL 18 2HG2 VAL 18 9.750 10.228 -3.080 148 3HG2 VAL 18 3HG2 VAL 18 11.475 10.054 -3.407 149 H LEU 19 H LEU 19 10.135 6.101 -2.872 150 HA LEU 19 HA LEU 19 10.316 4.624 -0.420 151 1HB LEU 19 2HB LEU 19 8.371 4.979 -2.405 152 2HB LEU 19 1HB LEU 19 8.781 3.277 -2.432 153 HG LEU 19 HG LEU 19 6.902 3.602 -0.961 154 1HD1 LEU 19 1HD1 LEU 19 7.672 2.097 0.480 155 2HD1 LEU 19 2HD1 LEU 19 8.785 3.259 1.206 156 3HD1 LEU 19 3HD1 LEU 19 9.269 2.351 -0.226 157 1HD2 LEU 19 1HD2 LEU 19 8.032 6.045 -0.418 158 2HD2 LEU 19 2HD2 LEU 19 8.250 5.159 1.092 159 3HD2 LEU 19 3HD2 LEU 19 6.637 5.344 0.400 160 H GLU 20 H GLU 20 11.524 4.282 -3.660 161 HA GLU 20 HA GLU 20 12.109 1.526 -3.502 162 1HB GLU 20 2HB GLU 20 13.433 1.800 -5.481 163 2HB GLU 20 1HB GLU 20 11.958 2.730 -5.639 164 1HG GLU 20 2HG GLU 20 13.257 4.751 -5.011 165 2HG GLU 20 1HG GLU 20 14.715 3.762 -5.066 166 H ARG 21 H ARG 21 14.323 4.287 -3.296 167 HA ARG 21 HA ARG 21 16.541 2.753 -2.509 168 1HB ARG 21 2HB ARG 21 15.973 5.695 -2.150 169 2HB ARG 21 1HB ARG 21 17.532 4.943 -1.836 170 1HG ARG 21 2HG ARG 21 16.535 4.268 -4.465 171 2HG ARG 21 1HG ARG 21 16.655 6.013 -4.236 172 1HD ARG 21 2HD ARG 21 18.983 5.752 -3.520 173 2HD ARG 21 1HD ARG 21 18.858 4.009 -3.752 174 HE ARG 21 HE ARG 21 18.204 5.510 -6.105 175 1HH1 ARG 21 1HH1 ARG 21 20.822 4.143 -4.244 176 2HH1 ARG 21 2HH1 ARG 21 21.893 4.038 -5.600 177 1HH2 ARG 21 1HH2 ARG 21 19.611 5.368 -7.888 178 2HH2 ARG 21 2HH2 ARG 21 21.208 4.734 -7.668 179 H ALA 22 H ALA 22 14.372 4.801 -0.539 180 HA ALA 22 HA ALA 22 15.582 4.327 1.913 181 1HB ALA 22 1HB ALA 22 13.847 5.452 2.841 182 2HB ALA 22 2HB ALA 22 12.637 4.556 1.919 183 3HB ALA 22 3HB ALA 22 13.538 5.867 1.154 184 H LEU 23 H LEU 23 13.037 2.514 0.320 185 HA LEU 23 HA LEU 23 12.755 0.633 2.443 186 1HB LEU 23 2HB LEU 23 11.039 1.212 0.646 187 2HB LEU 23 1HB LEU 23 11.967 0.181 -0.424 188 HG LEU 23 HG LEU 23 9.889 -0.770 0.784 189 1HD1 LEU 23 1HD1 LEU 23 12.450 -2.337 0.930 190 2HD1 LEU 23 2HD1 LEU 23 11.580 -2.013 -0.569 191 3HD1 LEU 23 3HD1 LEU 23 10.811 -2.957 0.713 192 1HD2 LEU 23 1HD2 LEU 23 11.931 -1.153 2.964 193 2HD2 LEU 23 2HD2 LEU 23 10.264 -1.728 2.945 194 3HD2 LEU 23 3HD2 LEU 23 10.597 0.001 3.036 195 H ALA 24 H ALA 24 14.794 0.938 -0.324 196 HA ALA 24 HA ALA 24 15.670 -1.746 -0.490 197 1HB ALA 24 1HB ALA 24 16.332 0.777 -1.733 198 2HB ALA 24 2HB ALA 24 16.526 -0.861 -2.353 199 3HB ALA 24 3HB ALA 24 17.786 -0.143 -1.352 200 H GLY 25 H GLY 25 16.577 1.049 1.425 201 1HA GLY 25 2HA GLY 25 19.021 0.093 2.451 202 2HA GLY 25 1HA GLY 25 17.967 1.261 3.242 203 H ALA 26 H ALA 26 15.710 -0.640 3.220 204 HA ALA 26 HA ALA 26 16.277 -1.914 5.713 205 1HB ALA 26 1HB ALA 26 13.871 -2.824 5.280 206 2HB ALA 26 2HB ALA 26 13.859 -1.621 3.988 207 3HB ALA 26 3HB ALA 26 14.117 -1.119 5.659 208 H GLY 27 H GLY 27 16.584 -2.802 2.444 209 1HA GLY 27 2HA GLY 27 17.710 -4.768 1.780 210 2HA GLY 27 1HA GLY 27 17.182 -5.543 3.264 211 H LEU 28 H LEU 28 14.872 -3.814 1.267 212 HA LEU 28 HA LEU 28 13.949 -6.378 0.222 213 1HB LEU 28 2HB LEU 28 11.819 -4.481 0.908 214 2HB LEU 28 1HB LEU 28 11.863 -6.220 1.056 215 HG LEU 28 HG LEU 28 13.552 -5.625 3.030 216 1HD1 LEU 28 1HD1 LEU 28 11.847 -3.196 2.650 217 2HD1 LEU 28 2HD1 LEU 28 13.587 -3.297 2.926 218 3HD1 LEU 28 3HD1 LEU 28 12.461 -3.653 4.238 219 1HD2 LEU 28 1HD2 LEU 28 10.996 -6.601 2.810 220 2HD2 LEU 28 2HD2 LEU 28 10.791 -5.226 3.895 221 3HD2 LEU 28 3HD2 LEU 28 11.933 -6.507 4.303 222 H THR 29 H THR 29 12.124 -5.997 -1.462 223 HA THR 29 HA THR 29 13.186 -4.035 -3.358 224 HB THR 29 HB THR 29 11.441 -6.465 -3.679 225 HG1 THR 29 1HG THR 29 13.233 -6.931 -5.172 226 1HG2 THR 29 1HG2 THR 29 11.630 -4.174 -5.471 227 2HG2 THR 29 2HG2 THR 29 10.472 -5.503 -5.436 228 3HG2 THR 29 3HG2 THR 29 12.033 -5.713 -6.229 229 H CYS 30 H CYS 30 12.046 -2.386 -4.201 230 HA CYS 30 HA CYS 30 9.257 -2.060 -3.325 231 1HB CYS 30 2HB CYS 30 10.985 -0.643 -2.084 232 2HB CYS 30 1HB CYS 30 11.175 0.224 -3.599 233 HG CYS 30 HG CYS 30 9.244 1.048 -1.702 234 H THR 31 H THR 31 7.942 -1.996 -4.990 235 HA THR 31 HA THR 31 8.852 -0.646 -7.443 236 HB THR 31 HB THR 31 8.526 -3.230 -7.560 237 HG1 THR 31 1HG THR 31 8.677 -1.921 -9.411 238 1HG2 THR 31 1HG2 THR 31 6.478 -4.149 -7.563 239 2HG2 THR 31 2HG2 THR 31 5.702 -2.683 -8.156 240 3HG2 THR 31 3HG2 THR 31 6.141 -2.819 -6.453 241 H THR 32 H THR 32 7.371 0.749 -8.395 242 HA THR 32 HA THR 32 4.950 1.228 -6.817 243 HB THR 32 HB THR 32 5.165 3.603 -7.363 244 HG1 THR 32 1HG THR 32 6.306 3.351 -9.332 245 1HG2 THR 32 1HG2 THR 32 6.704 2.226 -5.551 246 2HG2 THR 32 2HG2 THR 32 6.506 3.980 -5.631 247 3HG2 THR 32 3HG2 THR 32 7.879 3.210 -6.420 248 H PHE 33 H PHE 33 3.155 2.234 -7.925 249 HA PHE 33 HA PHE 33 3.073 1.683 -10.805 250 1HB PHE 33 2HB PHE 33 0.830 0.953 -8.942 251 2HB PHE 33 1HB PHE 33 0.984 0.584 -10.642 252 HD1 PHE 33 1HD PHE 33 1.270 -1.590 -11.069 253 HD2 PHE 33 2HD PHE 33 3.120 0.030 -7.616 254 HE1 PHE 33 1HE PHE 33 2.229 -3.778 -10.553 255 HE2 PHE 33 2HE PHE 33 4.088 -2.160 -7.096 256 HZ PHE 33 HZ PHE 33 3.622 -4.092 -8.577 257 H GLU 34 H GLU 34 0.951 2.537 -11.762 258 HA GLU 34 HA GLU 34 0.849 5.315 -11.378 259 1HB GLU 34 2HB GLU 34 -0.441 5.366 -13.252 260 2HB GLU 34 1HB GLU 34 0.203 3.746 -13.423 261 1HG GLU 34 2HG GLU 34 -2.193 3.539 -11.912 262 2HG GLU 34 1HG GLU 34 -2.510 4.600 -13.276 263 H ASN 35 H ASN 35 -1.399 2.758 -10.362 264 HA ASN 35 HA ASN 35 -2.284 4.231 -8.128 265 1HB ASN 35 2HB ASN 35 -4.628 4.631 -8.834 266 2HB ASN 35 1HB ASN 35 -3.473 5.591 -9.754 267 1HD2 ASN 35 1HD2 ASN 35 -4.543 5.855 -11.616 268 2HD2 ASN 35 2HD2 ASN 35 -5.062 4.568 -12.645 269 H GLY 36 H GLY 36 -4.492 3.225 -7.349 270 1HA GLY 36 2HA GLY 36 -4.081 0.691 -6.506 271 2HA GLY 36 1HA GLY 36 -5.680 1.365 -6.740 272 H ASN 37 H ASN 37 -5.400 1.567 -9.652 273 HA ASN 37 HA ASN 37 -6.304 -1.050 -10.254 274 1HB ASN 37 2HB ASN 37 -6.570 1.466 -11.427 275 2HB ASN 37 1HB ASN 37 -5.723 0.490 -12.623 276 1HD2 ASN 37 1HD2 ASN 37 -8.156 -0.421 -10.222 277 2HD2 ASN 37 2HD2 ASN 37 -9.310 -1.023 -11.359 278 H GLU 38 H GLU 38 -3.392 0.768 -11.154 279 HA GLU 38 HA GLU 38 -2.234 -1.042 -12.877 280 1HB GLU 38 2HB GLU 38 -1.471 1.311 -11.798 281 2HB GLU 38 1HB GLU 38 -0.411 0.212 -10.943 282 1HG GLU 38 2HG GLU 38 -0.614 0.592 -13.915 283 2HG GLU 38 1HG GLU 38 0.740 1.011 -12.871 284 H VAL 39 H VAL 39 -1.689 -0.911 -9.303 285 HA VAL 39 HA VAL 39 0.012 -3.068 -9.094 286 HB VAL 39 HB VAL 39 -2.199 -2.714 -7.091 287 1HG1 VAL 39 1HG1 VAL 39 0.555 -3.060 -6.188 288 2HG1 VAL 39 2HG1 VAL 39 -0.030 -4.396 -7.184 289 3HG1 VAL 39 3HG1 VAL 39 -0.909 -3.928 -5.724 290 1HG2 VAL 39 1HG2 VAL 39 -0.273 -0.731 -7.938 291 2HG2 VAL 39 2HG2 VAL 39 -0.076 -1.148 -6.235 292 3HG2 VAL 39 3HG2 VAL 39 -1.636 -0.582 -6.830 293 H LEU 40 H LEU 40 -3.480 -3.128 -9.495 294 HA LEU 40 HA LEU 40 -3.870 -5.869 -8.959 295 1HB LEU 40 2HB LEU 40 -5.505 -4.469 -11.034 296 2HB LEU 40 1HB LEU 40 -6.005 -5.658 -9.849 297 HG LEU 40 HG LEU 40 -5.250 -2.824 -9.162 298 1HD1 LEU 40 1HD1 LEU 40 -7.797 -2.756 -8.760 299 2HD1 LEU 40 2HD1 LEU 40 -7.840 -4.080 -9.923 300 3HD1 LEU 40 3HD1 LEU 40 -7.171 -2.518 -10.389 301 1HD2 LEU 40 1HD2 LEU 40 -5.128 -3.780 -7.122 302 2HD2 LEU 40 2HD2 LEU 40 -6.048 -5.199 -7.623 303 3HD2 LEU 40 3HD2 LEU 40 -6.891 -3.707 -7.206 304 H ALA 41 H ALA 41 -3.354 -4.152 -12.032 305 HA ALA 41 HA ALA 41 -3.480 -6.311 -13.749 306 1HB ALA 41 1HB ALA 41 -3.278 -3.830 -14.306 307 2HB ALA 41 2HB ALA 41 -2.456 -4.971 -15.369 308 3HB ALA 41 3HB ALA 41 -1.537 -4.070 -14.162 309 H ALA 42 H ALA 42 -0.632 -4.987 -12.155 310 HA ALA 42 HA ALA 42 1.137 -6.969 -13.153 311 1HB ALA 42 1HB ALA 42 1.974 -5.676 -10.664 312 2HB ALA 42 2HB ALA 42 1.458 -4.551 -11.925 313 3HB ALA 42 3HB ALA 42 2.746 -5.708 -12.254 314 H LEU 43 H LEU 43 -0.819 -6.658 -10.263 315 HA LEU 43 HA LEU 43 0.374 -8.661 -8.729 316 1HB LEU 43 2HB LEU 43 -2.360 -7.465 -8.803 317 2HB LEU 43 1HB LEU 43 -2.048 -8.862 -7.791 318 HG LEU 43 HG LEU 43 -0.358 -6.396 -7.582 319 1HD1 LEU 43 1HD1 LEU 43 -3.074 -6.371 -7.164 320 2HD1 LEU 43 2HD1 LEU 43 -1.911 -5.265 -6.450 321 3HD1 LEU 43 3HD1 LEU 43 -2.426 -6.691 -5.557 322 1HD2 LEU 43 1HD2 LEU 43 -0.315 -7.377 -5.177 323 2HD2 LEU 43 2HD2 LEU 43 0.672 -8.112 -6.442 324 3HD2 LEU 43 3HD2 LEU 43 -0.855 -8.859 -5.970 325 H ALA 44 H ALA 44 -1.775 -8.824 -11.424 326 HA ALA 44 HA ALA 44 -2.931 -11.317 -11.108 327 1HB ALA 44 1HB ALA 44 -2.197 -9.679 -13.487 328 2HB ALA 44 2HB ALA 44 -3.789 -10.144 -12.886 329 3HB ALA 44 3HB ALA 44 -2.779 -11.327 -13.717 330 H SER 45 H SER 45 0.371 -10.571 -11.627 331 HA SER 45 HA SER 45 0.916 -13.376 -12.226 332 1HB SER 45 2HB SER 45 1.496 -11.862 -14.098 333 2HB SER 45 1HB SER 45 2.599 -11.001 -13.026 334 HG SER 45 HG SER 45 3.629 -13.132 -12.732 335 H LYS 46 H LYS 46 1.121 -11.100 -9.828 336 HA LYS 46 HA LYS 46 2.839 -12.715 -8.247 337 1HB LYS 46 2HB LYS 46 4.316 -11.199 -9.839 338 2HB LYS 46 1HB LYS 46 3.970 -9.985 -8.616 339 1HG LYS 46 2HG LYS 46 4.746 -12.293 -7.223 340 2HG LYS 46 1HG LYS 46 5.878 -12.113 -8.564 341 1HD LYS 46 2HD LYS 46 6.800 -10.252 -7.698 342 2HD LYS 46 1HD LYS 46 5.245 -9.618 -7.152 343 1HE LYS 46 2HE LYS 46 5.427 -11.556 -5.397 344 2HE LYS 46 1HE LYS 46 7.148 -11.450 -5.763 345 1HZ LYS 46 1HZ LYS 46 5.471 -9.647 -4.275 346 2HZ LYS 46 2HZ LYS 46 6.463 -8.869 -5.401 347 3HZ LYS 46 3HZ LYS 46 7.148 -9.861 -4.215 348 H THR 47 H THR 47 3.227 -11.725 -6.068 349 HA THR 47 HA THR 47 1.328 -9.639 -5.389 350 HB THR 47 HB THR 47 1.442 -12.343 -4.058 351 HG1 THR 47 1HG THR 47 0.099 -11.811 -6.046 352 1HG2 THR 47 1HG2 THR 47 1.182 -10.583 -2.364 353 2HG2 THR 47 2HG2 THR 47 -0.258 -11.589 -2.530 354 3HG2 THR 47 3HG2 THR 47 -0.222 -9.974 -3.241 355 HA PRO 48 HA PRO 48 4.897 -8.417 -2.994 356 1HB PRO 48 2HB PRO 48 3.922 -6.124 -2.005 357 2HB PRO 48 1HB PRO 48 4.365 -6.290 -3.706 358 1HG PRO 48 2HG PRO 48 1.661 -6.389 -2.438 359 2HG PRO 48 1HG PRO 48 2.159 -5.606 -3.948 360 1HD PRO 48 2HD PRO 48 0.910 -8.048 -3.820 361 2HD PRO 48 1HD PRO 48 1.964 -7.535 -5.152 362 H ASP 49 H ASP 49 5.469 -8.119 -0.766 363 HA ASP 49 HA ASP 49 3.857 -9.691 1.003 364 1HB ASP 49 2HB ASP 49 6.453 -8.193 1.352 365 2HB ASP 49 1HB ASP 49 5.664 -9.030 2.687 366 H VAL 50 H VAL 50 4.433 -6.278 0.480 367 HA VAL 50 HA VAL 50 2.233 -5.667 2.287 368 HB VAL 50 HB VAL 50 4.261 -5.578 3.677 369 1HG1 VAL 50 1HG1 VAL 50 5.498 -4.667 1.454 370 2HG1 VAL 50 2HG1 VAL 50 6.152 -4.523 3.084 371 3HG1 VAL 50 3HG1 VAL 50 5.296 -3.163 2.358 372 1HG2 VAL 50 1HG2 VAL 50 2.878 -2.966 3.098 373 2HG2 VAL 50 2HG2 VAL 50 3.963 -3.213 4.468 374 3HG2 VAL 50 3HG2 VAL 50 2.482 -4.155 4.339 375 H LEU 51 H LEU 51 0.909 -4.535 0.989 376 HA LEU 51 HA LEU 51 1.975 -2.873 -1.133 377 1HB LEU 51 2HB LEU 51 -0.042 -4.424 -1.326 378 2HB LEU 51 1HB LEU 51 -0.921 -3.217 -0.410 379 HG LEU 51 HG LEU 51 -0.549 -1.567 -2.161 380 1HD1 LEU 51 1HD1 LEU 51 0.921 -1.781 -3.833 381 2HD1 LEU 51 2HD1 LEU 51 0.468 -3.460 -4.141 382 3HD1 LEU 51 3HD1 LEU 51 1.617 -3.078 -2.864 383 1HD2 LEU 51 1HD2 LEU 51 -1.529 -3.476 -4.003 384 2HD2 LEU 51 2HD2 LEU 51 -2.444 -2.334 -3.024 385 3HD2 LEU 51 3HD2 LEU 51 -2.097 -3.948 -2.403 386 H LEU 52 H LEU 52 1.534 -0.659 -1.423 387 HA LEU 52 HA LEU 52 0.501 0.816 0.896 388 1HB LEU 52 2HB LEU 52 3.115 0.585 0.729 389 2HB LEU 52 1HB LEU 52 2.945 1.818 -0.497 390 HG LEU 52 HG LEU 52 2.192 2.059 2.413 391 1HD1 LEU 52 1HD1 LEU 52 3.893 4.012 2.077 392 2HD1 LEU 52 2HD1 LEU 52 4.450 3.015 0.732 393 3HD1 LEU 52 3HD1 LEU 52 4.455 2.366 2.373 394 1HD2 LEU 52 1HD2 LEU 52 2.033 4.258 0.370 395 2HD2 LEU 52 2HD2 LEU 52 1.410 4.241 2.020 396 3HD2 LEU 52 3HD2 LEU 52 0.645 3.256 0.783 397 H SER 53 H SER 53 -1.085 2.103 0.186 398 HA SER 53 HA SER 53 -0.883 3.171 -2.555 399 1HB SER 53 2HB SER 53 -3.196 2.201 -0.945 400 2HB SER 53 1HB SER 53 -3.476 3.486 -2.116 401 HG SER 53 HG SER 53 -3.021 0.833 -2.513 402 H ASP 54 H ASP 54 -0.977 5.299 -2.903 403 HA ASP 54 HA ASP 54 -0.637 7.067 -0.681 404 1HB ASP 54 2HB ASP 54 0.588 7.253 -2.848 405 2HB ASP 54 1HB ASP 54 -0.914 7.781 -3.600 406 H ILE 55 H ILE 55 -3.419 5.943 -2.192 407 HA ILE 55 HA ILE 55 -5.559 6.748 -2.464 408 HB ILE 55 HB ILE 55 -5.458 6.021 -0.143 409 1HG1 ILE 55 2HG1 ILE 55 -7.489 7.213 -1.260 410 2HG1 ILE 55 1HG1 ILE 55 -7.536 6.823 0.449 411 1HG2 ILE 55 1HG2 ILE 55 -4.228 8.624 0.269 412 2HG2 ILE 55 2HG2 ILE 55 -4.127 7.155 1.230 413 3HG2 ILE 55 3HG2 ILE 55 -5.497 8.245 1.430 414 1HD1 ILE 55 1HD1 ILE 55 -6.790 9.195 0.870 415 2HD1 ILE 55 2HD1 ILE 55 -8.412 8.995 0.208 416 3HD1 ILE 55 3HD1 ILE 55 -7.088 9.496 -0.842 417 H ARG 56 H ARG 56 -5.772 8.343 -3.945 418 HA ARG 56 HA ARG 56 -5.933 11.063 -2.916 419 1HB ARG 56 2HB ARG 56 -4.634 11.971 -4.813 420 2HB ARG 56 1HB ARG 56 -3.663 10.957 -3.752 421 1HG ARG 56 2HG ARG 56 -4.306 9.082 -5.460 422 2HG ARG 56 1HG ARG 56 -4.593 10.452 -6.533 423 1HD ARG 56 2HD ARG 56 -2.400 10.923 -6.726 424 2HD ARG 56 1HD ARG 56 -2.069 10.556 -5.032 425 HE ARG 56 HE ARG 56 -1.326 8.525 -5.725 426 1HH1 ARG 56 1HH1 ARG 56 -3.656 9.664 -8.063 427 2HH1 ARG 56 2HH1 ARG 56 -3.511 8.266 -9.073 428 1HH2 ARG 56 1HH2 ARG 56 -1.149 6.678 -7.057 429 2HH2 ARG 56 2HH2 ARG 56 -2.089 6.579 -8.506 430 H MET 57 H MET 57 -8.046 9.415 -3.558 431 HA MET 57 HA MET 57 -10.016 9.442 -4.662 432 1HB MET 57 2HB MET 57 -9.696 11.917 -4.389 433 2HB MET 57 1HB MET 57 -9.054 11.947 -6.027 434 1HG MET 57 2HG MET 57 -11.119 11.313 -6.958 435 2HG MET 57 1HG MET 57 -11.770 10.847 -5.387 436 1HE MET 57 1HE MET 57 -11.024 13.347 -7.937 437 2HE MET 57 2HE MET 57 -10.128 14.411 -6.853 438 3HE MET 57 3HE MET 57 -11.741 14.868 -7.405 439 HA PRO 58 HA PRO 58 -7.868 7.979 -8.623 440 1HB PRO 58 2HB PRO 58 -7.721 5.330 -8.059 441 2HB PRO 58 1HB PRO 58 -6.433 6.469 -7.644 442 1HG PRO 58 2HG PRO 58 -8.574 5.316 -5.903 443 2HG PRO 58 1HG PRO 58 -6.864 5.602 -5.539 444 1HD PRO 58 2HD PRO 58 -8.880 7.252 -4.739 445 2HD PRO 58 1HD PRO 58 -7.222 7.802 -5.020 446 H GLY 59 H GLY 59 -9.654 5.224 -7.309 447 1HA GLY 59 2HA GLY 59 -11.656 5.599 -9.422 448 2HA GLY 59 1HA GLY 59 -11.305 4.088 -8.593 449 H MET 60 H MET 60 -11.305 5.407 -5.964 450 HA MET 60 HA MET 60 -13.951 6.468 -5.570 451 1HB MET 60 2HB MET 60 -14.428 4.041 -5.660 452 2HB MET 60 1HB MET 60 -13.263 3.779 -4.370 453 1HG MET 60 2HG MET 60 -14.976 3.945 -2.978 454 2HG MET 60 1HG MET 60 -14.909 5.678 -3.295 455 1HE MET 60 1HE MET 60 -18.480 6.185 -3.984 456 2HE MET 60 2HE MET 60 -16.934 7.006 -4.211 457 3HE MET 60 3HE MET 60 -17.273 6.169 -2.696 458 H ASP 61 H ASP 61 -12.224 8.032 -4.969 459 HA ASP 61 HA ASP 61 -11.291 9.337 -3.369 460 1HB ASP 61 2HB ASP 61 -13.150 7.693 -1.937 461 2HB ASP 61 1HB ASP 61 -11.726 7.993 -0.945 462 H GLY 62 H GLY 62 -10.618 5.959 -3.472 463 1HA GLY 62 2HA GLY 62 -8.077 5.709 -3.699 464 2HA GLY 62 1HA GLY 62 -8.079 6.355 -2.075 465 H LEU 63 H LEU 63 -10.613 4.947 -1.485 466 HA LEU 63 HA LEU 63 -9.401 2.536 -0.582 467 1HB LEU 63 2HB LEU 63 -12.337 3.099 -0.443 468 2HB LEU 63 1HB LEU 63 -11.354 2.138 0.645 469 HG LEU 63 HG LEU 63 -10.193 4.517 1.040 470 1HD1 LEU 63 1HD1 LEU 63 -12.805 5.102 -0.189 471 2HD1 LEU 63 2HD1 LEU 63 -11.342 6.082 -0.100 472 3HD1 LEU 63 3HD1 LEU 63 -12.428 5.990 1.286 473 1HD2 LEU 63 1HD2 LEU 63 -11.683 4.743 3.008 474 2HD2 LEU 63 2HD2 LEU 63 -11.025 3.120 2.782 475 3HD2 LEU 63 3HD2 LEU 63 -12.693 3.464 2.334 476 H ALA 64 H ALA 64 -11.082 3.510 -3.377 477 HA ALA 64 HA ALA 64 -12.454 1.224 -4.167 478 1HB ALA 64 1HB ALA 64 -11.058 2.333 -6.417 479 2HB ALA 64 2HB ALA 64 -11.620 3.628 -5.362 480 3HB ALA 64 3HB ALA 64 -12.768 2.451 -5.999 481 H LEU 65 H LEU 65 -9.016 1.967 -4.344 482 HA LEU 65 HA LEU 65 -8.195 -0.164 -5.942 483 1HB LEU 65 2HB LEU 65 -5.982 0.182 -5.009 484 2HB LEU 65 1HB LEU 65 -6.753 1.704 -5.404 485 HG LEU 65 HG LEU 65 -7.422 1.555 -2.817 486 1HD1 LEU 65 1HD1 LEU 65 -4.923 -0.066 -3.140 487 2HD1 LEU 65 2HD1 LEU 65 -6.371 -0.440 -2.204 488 3HD1 LEU 65 3HD1 LEU 65 -5.269 0.825 -1.658 489 1HD2 LEU 65 1HD2 LEU 65 -6.166 3.322 -4.161 490 2HD2 LEU 65 2HD2 LEU 65 -4.695 2.501 -3.645 491 3HD2 LEU 65 3HD2 LEU 65 -5.782 3.199 -2.443 492 H LEU 66 H LEU 66 -8.821 -0.004 -2.484 493 HA LEU 66 HA LEU 66 -7.718 -2.501 -1.805 494 1HB LEU 66 2HB LEU 66 -10.043 -1.074 -0.512 495 2HB LEU 66 1HB LEU 66 -9.105 -2.373 0.204 496 HG LEU 66 HG LEU 66 -7.704 0.126 -0.645 497 1HD1 LEU 66 1HD1 LEU 66 -8.129 0.765 1.869 498 2HD1 LEU 66 2HD1 LEU 66 -9.607 -0.163 1.620 499 3HD1 LEU 66 3HD1 LEU 66 -9.262 1.233 0.605 500 1HD2 LEU 66 1HD2 LEU 66 -6.742 -0.743 1.784 501 2HD2 LEU 66 2HD2 LEU 66 -6.045 -1.105 0.204 502 3HD2 LEU 66 3HD2 LEU 66 -7.160 -2.244 0.957 503 H LYS 67 H LYS 67 -10.975 -1.549 -2.822 504 HA LYS 67 HA LYS 67 -12.303 -3.958 -2.507 505 1HB LYS 67 2HB LYS 67 -12.637 -1.588 -4.251 506 2HB LYS 67 1HB LYS 67 -13.469 -3.050 -4.765 507 1HG LYS 67 2HG LYS 67 -13.759 -2.275 -1.926 508 2HG LYS 67 1HG LYS 67 -14.562 -1.260 -3.125 509 1HD LYS 67 2HD LYS 67 -14.989 -4.041 -3.728 510 2HD LYS 67 1HD LYS 67 -15.460 -3.699 -2.061 511 1HE LYS 67 2HE LYS 67 -16.762 -1.735 -2.959 512 2HE LYS 67 1HE LYS 67 -16.454 -2.371 -4.574 513 1HZ LYS 67 1HZ LYS 67 -17.575 -4.210 -2.603 514 2HZ LYS 67 2HZ LYS 67 -17.867 -4.096 -4.266 515 3HZ LYS 67 3HZ LYS 67 -18.603 -3.006 -3.203 516 H GLN 68 H GLN 68 -10.790 -2.794 -5.531 517 HA GLN 68 HA GLN 68 -11.048 -5.138 -7.005 518 1HB GLN 68 2HB GLN 68 -8.849 -3.061 -7.106 519 2HB GLN 68 1HB GLN 68 -9.166 -4.256 -8.356 520 1HG GLN 68 2HG GLN 68 -10.471 -2.761 -9.315 521 2HG GLN 68 1HG GLN 68 -11.599 -3.001 -7.980 522 1HE2 GLN 68 1HE2 GLN 68 -8.471 -1.334 -8.249 523 2HE2 GLN 68 2HE2 GLN 68 -9.041 0.183 -7.664 524 H ILE 69 H ILE 69 -8.549 -4.137 -4.742 525 HA ILE 69 HA ILE 69 -6.674 -6.127 -5.264 526 HB ILE 69 HB ILE 69 -7.226 -4.415 -2.869 527 1HG1 ILE 69 2HG1 ILE 69 -6.215 -3.580 -5.083 528 2HG1 ILE 69 1HG1 ILE 69 -5.369 -3.161 -3.592 529 1HG2 ILE 69 1HG2 ILE 69 -5.540 -6.807 -2.945 530 2HG2 ILE 69 2HG2 ILE 69 -6.164 -5.901 -1.569 531 3HG2 ILE 69 3HG2 ILE 69 -4.706 -5.355 -2.395 532 1HD1 ILE 69 1HD1 ILE 69 -3.760 -3.799 -5.227 533 2HD1 ILE 69 2HD1 ILE 69 -4.627 -5.296 -5.574 534 3HD1 ILE 69 3HD1 ILE 69 -3.834 -5.077 -4.014 535 H LYS 70 H LYS 70 -9.461 -6.144 -3.151 536 HA LYS 70 HA LYS 70 -8.808 -8.644 -1.935 537 1HB LYS 70 2HB LYS 70 -10.937 -8.475 -0.834 538 2HB LYS 70 1HB LYS 70 -10.144 -6.907 -0.793 539 1HG LYS 70 2HG LYS 70 -11.792 -5.928 -1.928 540 2HG LYS 70 1HG LYS 70 -11.862 -7.235 -3.110 541 1HD LYS 70 2HD LYS 70 -13.013 -8.547 -1.170 542 2HD LYS 70 1HD LYS 70 -13.336 -6.933 -0.533 543 1HE LYS 70 2HE LYS 70 -14.637 -6.337 -2.377 544 2HE LYS 70 1HE LYS 70 -13.974 -7.627 -3.378 545 1HZ LYS 70 1HZ LYS 70 -15.204 -9.237 -2.184 546 2HZ LYS 70 2HZ LYS 70 -16.287 -7.993 -2.560 547 3HZ LYS 70 3HZ LYS 70 -15.664 -8.125 -0.994 548 H GLN 71 H GLN 71 -10.531 -7.654 -4.749 549 HA GLN 71 HA GLN 71 -12.012 -10.077 -4.999 550 1HB GLN 71 2HB GLN 71 -13.158 -8.302 -5.916 551 2HB GLN 71 1HB GLN 71 -11.712 -7.577 -6.596 552 1HG GLN 71 2HG GLN 71 -12.216 -10.114 -7.844 553 2HG GLN 71 1HG GLN 71 -13.663 -9.115 -7.893 554 1HE2 GLN 71 1HE2 GLN 71 -10.419 -7.809 -7.851 555 2HE2 GLN 71 2HE2 GLN 71 -10.446 -7.191 -9.463 556 H ARG 72 H ARG 72 -8.967 -8.882 -6.175 557 HA ARG 72 HA ARG 72 -8.688 -11.258 -7.874 558 1HB ARG 72 2HB ARG 72 -7.337 -8.589 -7.862 559 2HB ARG 72 1HB ARG 72 -6.533 -9.969 -8.597 560 1HG ARG 72 2HG ARG 72 -8.927 -10.193 -9.767 561 2HG ARG 72 1HG ARG 72 -8.897 -8.454 -9.490 562 1HD ARG 72 2HD ARG 72 -6.822 -8.250 -10.692 563 2HD ARG 72 1HD ARG 72 -6.715 -10.001 -10.870 564 HE ARG 72 HE ARG 72 -9.131 -9.003 -11.977 565 1HH1 ARG 72 1HH1 ARG 72 -5.706 -9.269 -12.604 566 2HH1 ARG 72 2HH1 ARG 72 -5.894 -9.236 -14.326 567 1HH2 ARG 72 1HH2 ARG 72 -9.378 -8.960 -14.234 568 2HH2 ARG 72 2HH2 ARG 72 -7.980 -9.061 -15.252 569 H HIS 73 H HIS 73 -7.525 -9.870 -4.945 570 HA HIS 73 HA HIS 73 -5.584 -12.074 -4.727 571 1HB HIS 73 2HB HIS 73 -5.013 -9.551 -3.267 572 2HB HIS 73 1HB HIS 73 -3.902 -10.688 -4.033 573 HD1 HIS 73 1HD HIS 73 -4.101 -10.614 -6.810 574 HD2 HIS 73 2HD HIS 73 -5.303 -7.267 -4.679 575 HE1 HIS 73 1HE HIS 73 -4.197 -8.746 -8.488 576 HE2 HIS 73 2HE HIS 73 -5.043 -6.764 -7.196 577 HA PRO 74 HA PRO 74 -7.546 -12.770 -0.821 578 1HB PRO 74 2HB PRO 74 -5.903 -14.610 0.173 579 2HB PRO 74 1HB PRO 74 -6.815 -14.905 -1.312 580 1HG PRO 74 2HG PRO 74 -3.932 -14.324 -0.953 581 2HG PRO 74 1HG PRO 74 -4.741 -15.252 -2.225 582 1HD PRO 74 2HD PRO 74 -3.874 -12.526 -2.320 583 2HD PRO 74 1HD PRO 74 -4.752 -13.427 -3.571 584 H MET 75 H MET 75 -7.451 -10.942 0.442 585 HA MET 75 HA MET 75 -6.860 -9.582 2.147 586 1HB MET 75 2HB MET 75 -5.618 -12.198 2.855 587 2HB MET 75 1HB MET 75 -5.407 -10.807 3.909 588 1HG MET 75 2HG MET 75 -8.077 -10.757 3.545 589 2HG MET 75 1HG MET 75 -7.763 -12.489 3.420 590 1HE MET 75 1HE MET 75 -8.151 -13.855 5.950 591 2HE MET 75 2HE MET 75 -9.335 -12.811 5.163 592 3HE MET 75 3HE MET 75 -9.033 -12.656 6.894 593 H LEU 76 H LEU 76 -5.245 -9.282 -0.186 594 HA LEU 76 HA LEU 76 -2.490 -9.255 0.341 595 1HB LEU 76 2HB LEU 76 -3.933 -8.775 -1.845 596 2HB LEU 76 1HB LEU 76 -3.635 -7.117 -1.362 597 HG LEU 76 HG LEU 76 -1.494 -9.178 -1.881 598 1HD1 LEU 76 1HD1 LEU 76 -1.480 -6.920 -3.640 599 2HD1 LEU 76 2HD1 LEU 76 -3.059 -7.708 -3.686 600 3HD1 LEU 76 3HD1 LEU 76 -1.598 -8.638 -4.024 601 1HD2 LEU 76 1HD2 LEU 76 -1.490 -6.484 -0.715 602 2HD2 LEU 76 2HD2 LEU 76 -0.309 -6.735 -2.000 603 3HD2 LEU 76 3HD2 LEU 76 -0.304 -7.782 -0.579 604 HA PRO 77 HA PRO 77 -2.500 -6.099 3.554 605 1HB PRO 77 2HB PRO 77 0.414 -6.249 2.966 606 2HB PRO 77 1HB PRO 77 -0.430 -6.331 4.516 607 1HG PRO 77 2HG PRO 77 0.568 -8.533 3.425 608 2HG PRO 77 1HG PRO 77 -1.014 -8.565 4.227 609 1HD PRO 77 2HD PRO 77 -0.372 -8.510 1.304 610 2HD PRO 77 1HD PRO 77 -1.636 -9.414 2.166 611 H VAL 78 H VAL 78 -2.784 -4.004 3.292 612 HA VAL 78 HA VAL 78 -1.195 -2.525 1.333 613 HB VAL 78 HB VAL 78 -4.141 -1.998 1.613 614 1HG1 VAL 78 1HG1 VAL 78 -1.974 -1.145 -0.281 615 2HG1 VAL 78 2HG1 VAL 78 -3.054 -0.144 0.689 616 3HG1 VAL 78 3HG1 VAL 78 -3.681 -1.018 -0.708 617 1HG2 VAL 78 1HG2 VAL 78 -4.606 -3.325 -0.290 618 2HG2 VAL 78 2HG2 VAL 78 -3.665 -4.334 0.806 619 3HG2 VAL 78 3HG2 VAL 78 -2.891 -3.605 -0.601 620 H ILE 79 H ILE 79 -0.843 -0.364 1.816 621 HA ILE 79 HA ILE 79 -1.756 0.509 4.479 622 HB ILE 79 HB ILE 79 0.867 1.348 3.282 623 1HG1 ILE 79 2HG1 ILE 79 0.996 -0.632 5.444 624 2HG1 ILE 79 1HG1 ILE 79 0.336 -1.270 3.944 625 1HG2 ILE 79 1HG2 ILE 79 -0.544 2.314 5.398 626 2HG2 ILE 79 2HG2 ILE 79 1.203 2.461 5.198 627 3HG2 ILE 79 3HG2 ILE 79 0.532 1.156 6.179 628 1HD1 ILE 79 1HD1 ILE 79 2.924 -1.278 4.478 629 2HD1 ILE 79 2HD1 ILE 79 2.816 0.328 3.759 630 3HD1 ILE 79 3HD1 ILE 79 2.302 -1.086 2.840 631 H ILE 80 H ILE 80 -3.184 2.089 4.180 632 HA ILE 80 HA ILE 80 -2.872 3.885 1.892 633 HB ILE 80 HB ILE 80 -5.251 3.851 3.725 634 1HG1 ILE 80 2HG1 ILE 80 -4.863 1.529 2.994 635 2HG1 ILE 80 1HG1 ILE 80 -6.296 2.204 2.230 636 1HG2 ILE 80 1HG2 ILE 80 -4.719 5.597 1.875 637 2HG2 ILE 80 2HG2 ILE 80 -6.348 4.948 2.014 638 3HG2 ILE 80 3HG2 ILE 80 -5.257 4.327 0.779 639 1HD1 ILE 80 1HD1 ILE 80 -3.592 1.863 0.971 640 2HD1 ILE 80 2HD1 ILE 80 -4.974 2.649 0.207 641 3HD1 ILE 80 3HD1 ILE 80 -5.052 0.937 0.626 642 H MET 81 H MET 81 -2.704 6.071 2.055 643 HA MET 81 HA MET 81 -1.496 7.120 4.403 644 1HB MET 81 2HB MET 81 -0.780 7.960 2.295 645 2HB MET 81 1HB MET 81 -2.418 8.392 1.830 646 1HG MET 81 2HG MET 81 -2.451 10.128 3.547 647 2HG MET 81 1HG MET 81 -0.813 9.685 4.024 648 1HE MET 81 1HE MET 81 -2.126 12.253 3.398 649 2HE MET 81 2HE MET 81 -2.167 12.825 1.730 650 3HE MET 81 3HE MET 81 -0.740 13.113 2.727 651 H THR 82 H THR 82 -4.264 8.603 2.736 652 HA THR 82 HA THR 82 -5.339 9.316 5.372 653 HB THR 82 HB THR 82 -6.203 10.525 2.757 654 HG1 THR 82 1HG THR 82 -4.305 11.369 2.593 655 1HG2 THR 82 1HG2 THR 82 -6.231 11.481 5.603 656 2HG2 THR 82 2HG2 THR 82 -7.605 11.197 4.533 657 3HG2 THR 82 3HG2 THR 82 -6.504 12.537 4.217 658 H ALA 83 H ALA 83 -7.495 9.038 5.877 659 HA ALA 83 HA ALA 83 -8.968 7.153 4.156 660 1HB ALA 83 1HB ALA 83 -9.373 5.838 5.913 661 2HB ALA 83 2HB ALA 83 -9.799 7.202 6.947 662 3HB ALA 83 3HB ALA 83 -8.109 6.745 6.741 663 H HIS 84 H HIS 84 -9.475 9.561 3.333 664 HA HIS 84 HA HIS 84 -11.718 10.653 4.866 665 1HB HIS 84 2HB HIS 84 -11.540 12.606 3.363 666 2HB HIS 84 1HB HIS 84 -10.039 12.274 4.218 667 HD1 HIS 84 1HD HIS 84 -11.569 11.529 0.811 668 HD2 HIS 84 2HD HIS 84 -7.880 12.235 2.590 669 HE1 HIS 84 1HE HIS 84 -9.910 11.582 -1.078 670 HE2 HIS 84 2HE HIS 84 -7.677 11.949 0.029 671 H SER 85 H SER 85 -13.777 10.631 4.182 672 HA SER 85 HA SER 85 -15.634 10.103 2.986 673 1HB SER 85 2HB SER 85 -14.514 11.662 1.344 674 2HB SER 85 1HB SER 85 -13.884 10.231 0.535 675 HG SER 85 HG SER 85 -15.809 10.856 -0.447 676 H ASP 86 H ASP 86 -16.686 8.255 2.586 677 HA ASP 86 HA ASP 86 -17.069 6.030 2.350 678 1HB ASP 86 2HB ASP 86 -16.086 6.849 0.010 679 2HB ASP 86 1HB ASP 86 -14.800 5.728 0.446 680 H LEU 87 H LEU 87 -15.305 6.772 4.458 681 HA LEU 87 HA LEU 87 -12.959 5.328 4.654 682 1HB LEU 87 2HB LEU 87 -14.547 6.855 6.368 683 2HB LEU 87 1HB LEU 87 -14.404 5.296 7.160 684 HG LEU 87 HG LEU 87 -12.125 7.064 6.288 685 1HD1 LEU 87 1HD1 LEU 87 -13.341 6.424 8.952 686 2HD1 LEU 87 2HD1 LEU 87 -13.041 8.004 8.228 687 3HD1 LEU 87 3HD1 LEU 87 -11.689 7.021 8.792 688 1HD2 LEU 87 1HD2 LEU 87 -11.314 4.894 6.015 689 2HD2 LEU 87 2HD2 LEU 87 -12.192 4.291 7.420 690 3HD2 LEU 87 3HD2 LEU 87 -10.797 5.348 7.637 691 H ASP 88 H ASP 88 -16.207 4.178 4.725 692 HA ASP 88 HA ASP 88 -16.064 1.849 6.168 693 1HB ASP 88 2HB ASP 88 -18.073 2.816 4.941 694 2HB ASP 88 1HB ASP 88 -17.457 2.014 3.498 695 H ALA 89 H ALA 89 -15.150 2.306 2.769 696 HA ALA 89 HA ALA 89 -14.410 -0.354 2.282 697 1HB ALA 89 1HB ALA 89 -14.841 1.298 0.510 698 2HB ALA 89 2HB ALA 89 -13.288 0.485 0.304 699 3HB ALA 89 3HB ALA 89 -13.350 2.128 0.948 700 H ALA 90 H ALA 90 -12.845 2.124 4.068 701 HA ALA 90 HA ALA 90 -10.161 1.190 3.785 702 1HB ALA 90 1HB ALA 90 -10.601 3.481 4.496 703 2HB ALA 90 2HB ALA 90 -9.660 2.624 5.712 704 3HB ALA 90 3HB ALA 90 -11.384 2.887 5.958 705 H VAL 91 H VAL 91 -12.468 0.989 6.504 706 HA VAL 91 HA VAL 91 -10.919 -0.734 8.060 707 HB VAL 91 HB VAL 91 -13.915 -0.782 8.142 708 1HG1 VAL 91 1HG1 VAL 91 -13.495 -2.066 9.912 709 2HG1 VAL 91 2HG1 VAL 91 -12.756 -0.669 10.694 710 3HG1 VAL 91 3HG1 VAL 91 -11.758 -1.789 9.763 711 1HG2 VAL 91 1HG2 VAL 91 -13.358 1.126 9.932 712 2HG2 VAL 91 2HG2 VAL 91 -13.753 1.484 8.251 713 3HG2 VAL 91 3HG2 VAL 91 -12.068 1.447 8.772 714 H SER 92 H SER 92 -13.642 -1.518 5.905 715 HA SER 92 HA SER 92 -13.509 -4.295 6.246 716 1HB SER 92 2HB SER 92 -14.778 -4.476 4.174 717 2HB SER 92 1HB SER 92 -15.400 -3.128 5.131 718 HG SER 92 HG SER 92 -14.975 -1.902 3.493 719 H ALA 93 H ALA 93 -11.472 -2.107 4.551 720 HA ALA 93 HA ALA 93 -10.341 -3.783 2.625 721 1HB ALA 93 1HB ALA 93 -9.994 -1.187 3.332 722 2HB ALA 93 2HB ALA 93 -8.964 -2.064 2.202 723 3HB ALA 93 3HB ALA 93 -8.490 -1.909 3.897 724 H TYR 94 H TYR 94 -9.369 -3.097 5.934 725 HA TYR 94 HA TYR 94 -7.110 -4.725 6.047 726 1HB TYR 94 2HB TYR 94 -8.911 -4.427 8.428 727 2HB TYR 94 1HB TYR 94 -7.153 -4.468 8.373 728 HD1 TYR 94 1HD TYR 94 -6.451 -2.433 6.456 729 HD2 TYR 94 2HD TYR 94 -9.560 -2.413 9.364 730 HE1 TYR 94 1HE TYR 94 -6.379 0.019 6.510 731 HE2 TYR 94 2HE TYR 94 -9.489 0.042 9.424 732 HH TYR 94 HH TYR 94 -8.796 1.897 8.047 733 H GLN 95 H GLN 95 -10.470 -5.441 6.281 734 HA GLN 95 HA GLN 95 -10.159 -8.106 7.288 735 1HB GLN 95 2HB GLN 95 -12.228 -7.167 7.809 736 2HB GLN 95 1HB GLN 95 -12.425 -6.462 6.216 737 1HG GLN 95 2HG GLN 95 -12.442 -9.163 5.695 738 2HG GLN 95 1HG GLN 95 -13.272 -9.048 7.243 739 1HE2 GLN 95 1HE2 GLN 95 -13.191 -6.852 4.461 740 2HE2 GLN 95 2HE2 GLN 95 -14.898 -6.848 4.193 741 H GLN 96 H GLN 96 -10.496 -6.608 4.140 742 HA GLN 96 HA GLN 96 -10.433 -9.207 2.849 743 1HB GLN 96 2HB GLN 96 -11.099 -8.041 0.840 744 2HB GLN 96 1HB GLN 96 -12.170 -7.623 2.164 745 1HG GLN 96 2HG GLN 96 -10.644 -5.589 2.482 746 2HG GLN 96 1HG GLN 96 -10.054 -5.957 0.865 747 1HE2 GLN 96 1HE2 GLN 96 -10.873 -4.298 -0.264 748 2HE2 GLN 96 2HE2 GLN 96 -12.557 -3.938 -0.405 749 H GLY 97 H GLY 97 -8.165 -7.083 3.908 750 1HA GLY 97 2HA GLY 97 -5.872 -7.887 3.215 751 2HA GLY 97 1HA GLY 97 -6.415 -7.567 1.577 752 H ALA 98 H ALA 98 -5.655 -6.076 4.669 753 HA ALA 98 HA ALA 98 -4.323 -3.902 3.458 754 1HB ALA 98 1HB ALA 98 -7.043 -3.347 4.583 755 2HB ALA 98 2HB ALA 98 -6.439 -2.969 2.973 756 3HB ALA 98 3HB ALA 98 -5.819 -2.102 4.378 757 H PHE 99 H PHE 99 -2.900 -3.021 4.899 758 HA PHE 99 HA PHE 99 -2.724 -4.249 7.460 759 1HB PHE 99 2HB PHE 99 -0.737 -3.613 6.083 760 2HB PHE 99 1HB PHE 99 -1.097 -1.923 6.431 761 HD1 PHE 99 1HD PHE 99 -0.855 -5.099 8.376 762 HD2 PHE 99 2HD PHE 99 0.216 -0.995 8.058 763 HE1 PHE 99 1HE PHE 99 0.395 -5.268 10.488 764 HE2 PHE 99 2HE PHE 99 1.471 -1.161 10.168 765 HZ PHE 99 HZ PHE 99 1.558 -3.295 11.387 766 H ASP 100 H ASP 100 -3.190 -0.862 6.421 767 HA ASP 100 HA ASP 100 -5.132 -0.283 8.346 768 1HB ASP 100 2HB ASP 100 -2.846 -0.640 9.689 769 2HB ASP 100 1HB ASP 100 -2.635 1.052 9.258 770 H TYR 101 H TYR 101 -4.863 2.269 8.944 771 HA TYR 101 HA TYR 101 -4.338 3.684 6.422 772 1HB TYR 101 2HB TYR 101 -6.828 3.508 8.003 773 2HB TYR 101 1HB TYR 101 -6.373 5.137 7.517 774 HD1 TYR 101 1HD TYR 101 -6.916 1.724 6.131 775 HD2 TYR 101 2HD TYR 101 -6.923 5.910 5.411 776 HE1 TYR 101 1HE TYR 101 -7.908 1.334 3.913 777 HE2 TYR 101 2HE TYR 101 -7.911 5.543 3.192 778 HH TYR 101 HH TYR 101 -7.899 3.439 1.498 779 H LEU 102 H LEU 102 -3.796 5.935 6.683 780 HA LEU 102 HA LEU 102 -2.589 6.450 9.303 781 1HB LEU 102 2HB LEU 102 -1.927 7.217 6.524 782 2HB LEU 102 1HB LEU 102 -1.587 8.410 7.761 783 HG LEU 102 HG LEU 102 -0.166 6.783 8.932 784 1HD1 LEU 102 1HD1 LEU 102 -1.308 4.995 6.886 785 2HD1 LEU 102 2HD1 LEU 102 -0.776 4.651 8.530 786 3HD1 LEU 102 3HD1 LEU 102 0.409 4.799 7.231 787 1HD2 LEU 102 1HD2 LEU 102 1.657 6.814 7.386 788 2HD2 LEU 102 2HD2 LEU 102 0.724 8.295 7.172 789 3HD2 LEU 102 3HD2 LEU 102 0.553 6.974 6.020 790 HA PRO 103 HA PRO 103 -5.885 9.380 9.963 791 1HB PRO 103 2HB PRO 103 -4.897 10.433 12.287 792 2HB PRO 103 1HB PRO 103 -5.798 8.920 12.197 793 1HG PRO 103 2HG PRO 103 -2.866 9.368 12.443 794 2HG PRO 103 1HG PRO 103 -3.875 8.093 13.142 795 1HD PRO 103 2HD PRO 103 -2.275 7.740 10.952 796 2HD PRO 103 1HD PRO 103 -3.737 6.787 11.274 797 H LYS 104 H LYS 104 -2.797 10.708 11.120 798 HA LYS 104 HA LYS 104 -3.235 13.020 9.359 799 1HB LYS 104 2HB LYS 104 -1.994 12.996 12.112 800 2HB LYS 104 1HB LYS 104 -2.100 14.402 11.064 801 1HG LYS 104 2HG LYS 104 -4.127 14.851 11.818 802 2HG LYS 104 1HG LYS 104 -4.694 13.256 11.320 803 1HD LYS 104 2HD LYS 104 -3.907 12.315 13.437 804 2HD LYS 104 1HD LYS 104 -3.326 13.906 13.932 805 1HE LYS 104 2HE LYS 104 -5.327 14.255 14.839 806 2HE LYS 104 1HE LYS 104 -5.982 14.317 13.204 807 1HZ LYS 104 1HZ LYS 104 -7.165 12.528 13.702 808 2HZ LYS 104 2HZ LYS 104 -6.426 12.386 15.215 809 3HZ LYS 104 3HZ LYS 104 -5.738 11.634 13.863 810 HA PRO 105 HA PRO 105 1.616 12.510 9.641 811 1HB PRO 105 2HB PRO 105 2.425 10.020 10.514 812 2HB PRO 105 1HB PRO 105 2.397 11.476 11.513 813 1HG PRO 105 2HG PRO 105 0.391 9.264 11.326 814 2HG PRO 105 1HG PRO 105 0.987 10.120 12.761 815 1HD PRO 105 2HD PRO 105 -1.392 10.692 11.703 816 2HD PRO 105 1HD PRO 105 -0.360 11.970 12.369 817 H PHE 106 H PHE 106 3.050 11.386 8.169 818 HA PHE 106 HA PHE 106 2.233 9.076 6.729 819 1HB PHE 106 2HB PHE 106 0.631 10.651 5.730 820 2HB PHE 106 1HB PHE 106 1.946 11.734 5.288 821 HD1 PHE 106 1HD PHE 106 1.279 8.083 4.909 822 HD2 PHE 106 2HD PHE 106 2.379 11.729 3.035 823 HE1 PHE 106 1HE PHE 106 1.500 6.899 2.770 824 HE2 PHE 106 2HE PHE 106 2.609 10.555 0.885 825 HZ PHE 106 HZ PHE 106 2.166 8.135 0.750 826 H ASP 107 H ASP 107 3.731 11.392 4.664 827 HA ASP 107 HA ASP 107 5.807 11.332 3.706 828 1HB ASP 107 2HB ASP 107 7.579 12.019 5.227 829 2HB ASP 107 1HB ASP 107 6.085 12.867 5.614 830 H ILE 108 H ILE 108 8.157 10.293 3.970 831 HA ILE 108 HA ILE 108 7.751 7.502 3.744 832 HB ILE 108 HB ILE 108 9.862 9.314 3.157 833 1HG1 ILE 108 2HG1 ILE 108 10.506 7.484 1.625 834 2HG1 ILE 108 1HG1 ILE 108 9.363 6.429 2.443 835 1HG2 ILE 108 1HG2 ILE 108 11.111 8.544 5.020 836 2HG2 ILE 108 2HG2 ILE 108 11.758 7.722 3.600 837 3HG2 ILE 108 3HG2 ILE 108 10.674 6.867 4.696 838 1HD1 ILE 108 1HD1 ILE 108 8.353 8.991 1.350 839 2HD1 ILE 108 2HD1 ILE 108 7.551 7.428 1.512 840 3HD1 ILE 108 3HD1 ILE 108 8.730 7.688 0.224 841 H ASP 109 H ASP 109 9.089 9.511 6.253 842 HA ASP 109 HA ASP 109 10.219 7.633 7.905 843 1HB ASP 109 2HB ASP 109 9.886 10.256 8.153 844 2HB ASP 109 1HB ASP 109 8.569 9.743 9.205 845 H GLU 110 H GLU 110 6.829 8.771 8.163 846 HA GLU 110 HA GLU 110 6.175 6.637 9.937 847 1HB GLU 110 2HB GLU 110 4.332 8.577 8.554 848 2HB GLU 110 1HB GLU 110 3.894 7.511 9.877 849 1HG GLU 110 2HG GLU 110 6.172 9.067 10.619 850 2HG GLU 110 1HG GLU 110 4.899 10.126 10.018 851 H ALA 111 H ALA 111 5.772 7.239 6.516 852 HA ALA 111 HA ALA 111 3.939 5.149 6.012 853 1HB ALA 111 1HB ALA 111 5.960 5.938 3.959 854 2HB ALA 111 2HB ALA 111 4.719 7.090 4.453 855 3HB ALA 111 3HB ALA 111 4.253 5.539 3.762 856 H VAL 112 H VAL 112 7.459 5.281 5.428 857 HA VAL 112 HA VAL 112 7.760 2.552 4.896 858 HB VAL 112 HB VAL 112 9.821 4.380 6.119 859 1HG1 VAL 112 1HG1 VAL 112 10.830 2.339 4.355 860 2HG1 VAL 112 2HG1 VAL 112 9.875 1.619 5.651 861 3HG1 VAL 112 3HG1 VAL 112 11.241 2.667 6.039 862 1HG2 VAL 112 1HG2 VAL 112 10.562 4.302 3.578 863 2HG2 VAL 112 2HG2 VAL 112 9.388 5.483 4.157 864 3HG2 VAL 112 3HG2 VAL 112 8.837 4.027 3.330 865 H ALA 113 H ALA 113 7.566 4.320 7.867 866 HA ALA 113 HA ALA 113 8.601 2.351 9.607 867 1HB ALA 113 1HB ALA 113 8.334 4.655 10.321 868 2HB ALA 113 2HB ALA 113 7.411 3.583 11.374 869 3HB ALA 113 3HB ALA 113 6.584 4.527 10.134 870 H LEU 114 H LEU 114 5.324 3.167 8.590 871 HA LEU 114 HA LEU 114 4.087 1.060 10.034 872 1HB LEU 114 2HB LEU 114 2.939 3.149 9.455 873 2HB LEU 114 1HB LEU 114 3.039 2.730 7.756 874 HG LEU 114 HG LEU 114 1.655 0.660 8.346 875 1HD1 LEU 114 1HD1 LEU 114 1.834 0.572 10.697 876 2HD1 LEU 114 2HD1 LEU 114 0.177 1.073 10.349 877 3HD1 LEU 114 3HD1 LEU 114 1.371 2.266 10.868 878 1HD2 LEU 114 1HD2 LEU 114 0.937 2.982 7.347 879 2HD2 LEU 114 2HD2 LEU 114 0.093 3.127 8.890 880 3HD2 LEU 114 3HD2 LEU 114 -0.269 1.779 7.812 881 H VAL 115 H VAL 115 5.642 1.243 6.961 882 HA VAL 115 HA VAL 115 4.254 -1.013 5.846 883 HB VAL 115 HB VAL 115 5.298 0.842 4.460 884 1HG1 VAL 115 1HG1 VAL 115 7.627 0.671 3.879 885 2HG1 VAL 115 2HG1 VAL 115 7.821 -0.739 4.925 886 3HG1 VAL 115 3HG1 VAL 115 7.474 0.835 5.622 887 1HG2 VAL 115 1HG2 VAL 115 6.459 -1.480 3.216 888 2HG2 VAL 115 2HG2 VAL 115 5.030 -0.556 2.751 889 3HG2 VAL 115 3HG2 VAL 115 4.896 -1.859 3.927 890 H GLU 116 H GLU 116 7.490 -0.468 7.192 891 HA GLU 116 HA GLU 116 8.369 -3.138 6.852 892 1HB GLU 116 2HB GLU 116 9.327 -0.926 8.668 893 2HB GLU 116 1HB GLU 116 10.140 -2.477 8.517 894 1HG GLU 116 2HG GLU 116 10.249 -1.968 6.014 895 2HG GLU 116 1HG GLU 116 9.838 -0.315 6.468 896 H ARG 117 H ARG 117 7.039 -1.389 9.636 897 HA ARG 117 HA ARG 117 7.193 -3.511 11.461 898 1HB ARG 117 2HB ARG 117 5.326 -1.144 11.325 899 2HB ARG 117 1HB ARG 117 5.366 -2.267 12.678 900 1HG ARG 117 2HG ARG 117 7.823 -1.704 12.900 901 2HG ARG 117 1HG ARG 117 7.521 -0.386 11.766 902 1HD ARG 117 2HD ARG 117 7.351 0.534 13.947 903 2HD ARG 117 1HD ARG 117 5.712 0.398 13.316 904 HE ARG 117 HE ARG 117 6.718 -1.759 15.010 905 1HH1 ARG 117 1HH1 ARG 117 4.641 1.032 14.655 906 2HH1 ARG 117 2HH1 ARG 117 3.682 0.644 16.042 907 1HH2 ARG 117 1HH2 ARG 117 5.459 -2.256 16.836 908 2HH2 ARG 117 2HH2 ARG 117 4.144 -1.219 17.278 909 H ALA 118 H ALA 118 5.045 -2.881 8.849 910 HA ALA 118 HA ALA 118 2.883 -4.512 9.702 911 1HB ALA 118 1HB ALA 118 2.537 -2.785 8.037 912 2HB ALA 118 2HB ALA 118 2.124 -4.361 7.364 913 3HB ALA 118 3HB ALA 118 3.655 -3.592 6.937 914 H ILE 119 H ILE 119 5.608 -5.027 7.494 915 HA ILE 119 HA ILE 119 4.957 -7.660 6.773 916 HB ILE 119 HB ILE 119 7.743 -6.527 6.945 917 1HG1 ILE 119 2HG1 ILE 119 6.287 -6.414 4.374 918 2HG1 ILE 119 1HG1 ILE 119 5.755 -5.272 5.606 919 1HG2 ILE 119 1HG2 ILE 119 7.813 -8.846 6.478 920 2HG2 ILE 119 2HG2 ILE 119 8.060 -8.020 4.937 921 3HG2 ILE 119 3HG2 ILE 119 6.487 -8.726 5.320 922 1HD1 ILE 119 1HD1 ILE 119 8.525 -5.574 4.487 923 2HD1 ILE 119 2HD1 ILE 119 8.101 -4.534 5.847 924 3HD1 ILE 119 3HD1 ILE 119 7.417 -4.220 4.255 925 H SER 120 H SER 120 6.618 -6.334 9.515 926 HA SER 120 HA SER 120 7.749 -8.780 10.426 927 1HB SER 120 2HB SER 120 8.789 -6.697 11.071 928 2HB SER 120 1HB SER 120 7.294 -6.141 11.825 929 HG SER 120 HG SER 120 8.611 -8.501 12.654 930 H HIS 121 H HIS 121 4.988 -6.816 11.519 931 HA HIS 121 HA HIS 121 4.167 -8.661 13.503 932 1HB HIS 121 2HB HIS 121 2.880 -6.297 12.187 933 2HB HIS 121 1HB HIS 121 1.955 -7.319 13.282 934 HD1 HIS 121 1HD HIS 121 3.815 -4.329 13.326 935 HD2 HIS 121 2HD HIS 121 3.572 -7.602 15.872 936 HE1 HIS 121 1HE HIS 121 4.699 -3.527 15.537 937 HE2 HIS 121 2HE HIS 121 4.644 -5.553 17.030 938 H TYR 122 H TYR 122 3.616 -8.451 10.106 939 HA TYR 122 HA TYR 122 1.237 -9.973 9.985 940 1HB TYR 122 2HB TYR 122 3.195 -8.917 8.082 941 2HB TYR 122 1HB TYR 122 2.465 -10.438 7.578 942 HD1 TYR 122 1HD TYR 122 2.185 -7.086 7.121 943 HD2 TYR 122 2HD TYR 122 -0.238 -10.392 8.254 944 HE1 TYR 122 1HE TYR 122 0.188 -5.870 6.368 945 HE2 TYR 122 2HE TYR 122 -2.244 -9.186 7.502 946 HH TYR 122 HH TYR 122 -2.097 -5.835 6.455 947 H GLN 123 H GLN 123 4.615 -10.893 9.317 948 HA GLN 123 HA GLN 123 3.973 -13.668 9.190 949 1HB GLN 123 2HB GLN 123 6.413 -12.017 8.938 950 2HB GLN 123 1HB GLN 123 6.652 -13.680 9.452 951 1HG GLN 123 2HG GLN 123 6.857 -13.422 7.033 952 2HG GLN 123 1HG GLN 123 5.527 -14.492 7.478 953 1HE2 GLN 123 1HE2 GLN 123 3.499 -13.996 6.860 954 2HE2 GLN 123 2HE2 GLN 123 3.068 -12.591 5.951 955 H GLU 124 H GLU 124 5.741 -15.072 10.558 956 HA GLU 124 HA GLU 124 6.202 -15.986 12.592 957 1HB GLU 124 2HB GLU 124 5.993 -13.161 13.645 958 2HB GLU 124 1HB GLU 124 6.830 -14.510 14.401 959 1HG GLU 124 2HG GLU 124 8.629 -14.337 13.045 960 2HG GLU 124 1HG GLU 124 7.680 -13.778 11.669
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