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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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11796 |
1s24 ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 HT1 ALA 1 -14.756 -2.197 0.594 2 HA ALA 1 HA ALA 1 -14.016 -4.044 1.986 3 1HB ALA 1 HB1 ALA 1 -15.020 -5.473 -0.138 4 2HB ALA 1 HB2 ALA 1 -13.993 -6.165 1.117 5 3HB ALA 1 HB3 ALA 1 -13.284 -5.629 -0.406 6 H TYR 2 HN TYR 2 -12.540 -2.115 2.004 7 HA TYR 2 HA TYR 2 -10.500 -1.629 0.085 8 1HB TYR 2 HB2 TYR 2 -10.823 -1.188 3.061 9 2HB TYR 2 HB1 TYR 2 -9.371 -0.649 2.218 10 HD1 TYR 2 HD1 TYR 2 -12.415 0.474 3.370 11 HD2 TYR 2 HD2 TYR 2 -10.053 0.485 -0.219 12 HE1 TYR 2 HE1 TYR 2 -13.622 2.493 2.582 13 HE2 TYR 2 HE2 TYR 2 -11.261 2.504 -1.007 14 HH TYR 2 HH TYR 2 -14.099 3.501 0.113 15 H LEU 3 HN LEU 3 -8.634 -2.724 -0.375 16 HA LEU 3 HA LEU 3 -7.990 -5.160 1.191 17 1HB LEU 3 HB1 LEU 3 -7.403 -3.989 -1.501 18 2HB LEU 3 HB2 LEU 3 -6.229 -5.129 -0.844 19 HG LEU 3 HG LEU 3 -8.086 -6.757 -0.462 20 1HD1 LEU 3 HD11 LEU 3 -10.107 -5.677 -0.317 21 2HD1 LEU 3 HD12 LEU 3 -10.142 -6.011 -2.049 22 3HD1 LEU 3 HD13 LEU 3 -9.636 -4.425 -1.467 23 1HD2 LEU 3 HD21 LEU 3 -6.897 -7.159 -2.455 24 2HD2 LEU 3 HD22 LEU 3 -7.499 -5.687 -3.218 25 3HD2 LEU 3 HD23 LEU 3 -8.572 -7.069 -2.999 26 H LYS 4 HN LYS 4 -5.570 -5.544 1.597 27 HA LYS 4 HA LYS 4 -4.179 -2.979 2.271 28 1HB LYS 4 HB1 LYS 4 -4.392 -5.522 3.918 29 2HB LYS 4 HB2 LYS 4 -3.496 -4.079 4.388 30 1HG LYS 4 HG2 LYS 4 -5.851 -2.914 3.915 31 2HG LYS 4 HG1 LYS 4 -6.449 -4.531 4.284 32 1HD LYS 4 HD1 LYS 4 -4.522 -4.050 6.249 33 2HD LYS 4 HD2 LYS 4 -5.364 -2.509 6.083 34 1HE LYS 4 HE1 LYS 4 -7.472 -4.264 6.045 35 2HE LYS 4 HE2 LYS 4 -6.355 -5.079 7.156 36 1HZ LYS 4 HZ1 LYS 4 -6.022 -2.816 8.189 37 2HZ LYS 4 HZ2 LYS 4 -7.544 -3.521 8.457 38 3HZ LYS 4 HZ3 LYS 4 -7.369 -2.291 7.299 39 H TRP 5 HN TRP 5 -1.838 -3.139 2.283 40 HA TRP 5 HA TRP 5 -0.777 -5.581 0.882 41 1HB TRP 5 HB2 TRP 5 -0.074 -2.656 0.427 42 2HB TRP 5 HB1 TRP 5 0.595 -4.024 -0.460 43 HD1 TRP 5 HD1 TRP 5 -2.930 -2.630 0.322 44 HE1 TRP 5 HE1 TRP 5 -4.368 -2.854 -1.788 45 HE3 TRP 5 HE3 TRP 5 0.427 -4.908 -2.768 46 HZ2 TRP 5 HZ2 TRP 5 -4.136 -3.888 -4.455 47 HZ3 TRP 5 HZ3 TRP 5 -0.208 -5.507 -5.089 48 HH2 TRP 5 HH2 TRP 5 -2.482 -4.999 -5.934 49 H ILE 6 HN ILE 6 1.107 -6.389 1.782 50 HA ILE 6 HA ILE 6 2.337 -4.782 3.987 51 HB ILE 6 HB ILE 6 1.441 -6.891 4.735 52 1HG1 ILE 6 HG12 ILE 6 3.399 -8.033 5.581 53 2HG1 ILE 6 HG11 ILE 6 4.401 -7.361 4.296 54 1HG2 ILE 6 HG21 ILE 6 2.870 -8.032 2.328 55 2HG2 ILE 6 HG22 ILE 6 1.147 -8.099 2.694 56 3HG2 ILE 6 HG23 ILE 6 2.290 -9.044 3.648 57 1HD1 ILE 6 HD11 ILE 6 3.015 -5.258 5.739 58 2HD1 ILE 6 HD12 ILE 6 4.741 -5.466 5.460 59 3HD1 ILE 6 HD13 ILE 6 3.971 -6.252 6.838 60 H CYS 7 HN CYS 7 4.371 -4.016 3.679 61 HA CYS 7 HA CYS 7 5.816 -4.527 1.202 62 1HB CYS 7 HB2 CYS 7 5.691 -2.404 2.669 63 2HB CYS 7 HB1 CYS 7 6.829 -3.218 3.743 64 H ILE 8 HN ILE 8 6.524 -6.685 1.095 65 HA ILE 8 HA ILE 8 7.461 -8.289 3.216 66 HB ILE 8 HB ILE 8 6.883 -9.096 0.984 67 1HG1 ILE 8 HG12 ILE 8 9.703 -9.808 0.885 68 2HG1 ILE 8 HG11 ILE 8 9.033 -9.952 2.508 69 1HG2 ILE 8 HG21 ILE 8 9.235 -7.386 0.243 70 2HG2 ILE 8 HG22 ILE 8 7.600 -7.334 -0.407 71 3HG2 ILE 8 HG23 ILE 8 8.666 -8.680 -0.812 72 1HD1 ILE 8 HD11 ILE 8 7.726 -11.119 0.036 73 2HD1 ILE 8 HD12 ILE 8 7.270 -11.405 1.716 74 3HD1 ILE 8 HD13 ILE 8 8.796 -12.036 1.097 75 H THR 9 HN THR 9 9.000 -5.633 1.614 76 HA THR 9 HA THR 9 11.745 -6.285 2.085 77 HB THR 9 HB THR 9 10.337 -3.592 1.977 78 HG1 THR 9 HG1 THR 9 11.468 -5.061 -0.156 79 1HG2 THR 9 HG21 THR 9 12.858 -3.646 0.645 80 2HG2 THR 9 HG22 THR 9 13.087 -4.346 2.248 81 3HG2 THR 9 HG23 THR 9 12.409 -2.726 2.081 82 H CYS 10 HN CYS 10 9.323 -4.597 4.098 83 HA CYS 10 HA CYS 10 11.277 -4.766 6.369 84 1HB CYS 10 HB1 CYS 10 10.318 -2.567 7.085 85 2HB CYS 10 HB2 CYS 10 11.083 -2.479 5.499 86 H GLY 11 HN GLY 11 7.859 -4.793 5.372 87 1HA GLY 11 HA2 GLY 11 6.376 -6.448 6.456 88 2HA GLY 11 HA1 GLY 11 7.250 -6.159 7.960 89 H HIS 12 HN HIS 12 6.098 -3.696 5.679 90 HA HIS 12 HA HIS 12 4.478 -2.519 7.899 91 1HB HIS 12 HB1 HIS 12 6.395 -1.360 6.536 92 2HB HIS 12 HB2 HIS 12 5.183 -1.224 5.262 93 HD1 HIS 12 HD1 HIS 12 4.810 1.303 5.448 94 HD2 HIS 12 HD2 HIS 12 4.267 -0.688 9.070 95 HE1 HIS 12 HE1 HIS 12 3.783 2.983 7.042 96 H ILE 13 HN ILE 13 2.269 -2.645 7.739 97 HA ILE 13 HA ILE 13 1.086 -3.732 5.251 98 HB ILE 13 HB ILE 13 0.051 -3.157 8.052 99 1HG1 ILE 13 HG11 ILE 13 0.052 -5.896 6.981 100 2HG1 ILE 13 HG12 ILE 13 1.661 -5.190 7.114 101 1HG2 ILE 13 HG21 ILE 13 -1.355 -4.574 5.763 102 2HG2 ILE 13 HG22 ILE 13 -1.754 -2.955 6.337 103 3HG2 ILE 13 HG23 ILE 13 -1.987 -4.347 7.394 104 1HD1 ILE 13 HD11 ILE 13 -0.292 -4.971 9.395 105 2HD1 ILE 13 HD12 ILE 13 1.468 -4.875 9.435 106 3HD1 ILE 13 HD13 ILE 13 0.676 -6.431 9.183 107 H TYR 14 HN TYR 14 -0.381 -2.634 3.989 108 HA TYR 14 HA TYR 14 -0.691 0.303 4.498 109 1HB TYR 14 HB1 TYR 14 0.478 -0.235 2.441 110 2HB TYR 14 HB2 TYR 14 -0.717 -1.459 2.017 111 HD1 TYR 14 HD1 TYR 14 -0.160 2.192 2.419 112 HD2 TYR 14 HD2 TYR 14 -2.791 -0.869 0.939 113 HE1 TYR 14 HE1 TYR 14 -1.496 3.911 1.228 114 HE2 TYR 14 HE2 TYR 14 -4.123 0.850 -0.249 115 HH TYR 14 HH TYR 14 -4.568 3.215 -0.153 116 H ASP 15 HN ASP 15 -2.748 1.033 4.892 117 HA ASP 15 HA ASP 15 -5.011 -0.892 4.536 118 1HB ASP 15 HB2 ASP 15 -4.328 0.160 6.796 119 2HB ASP 15 HB1 ASP 15 -4.949 1.677 6.146 120 H GLU 16 HN GLU 16 -5.927 -0.494 2.532 121 HA GLU 16 HA GLU 16 -5.796 1.818 0.970 122 1HB GLU 16 HB2 GLU 16 -7.653 -0.506 1.306 123 2HB GLU 16 HB1 GLU 16 -8.180 0.809 0.259 124 1HG GLU 16 HG2 GLU 16 -5.962 0.636 -0.936 125 2HG GLU 16 HG1 GLU 16 -5.635 -0.814 0.011 126 H ALA 17 HN ALA 17 -7.769 1.226 3.804 127 HA ALA 17 HA ALA 17 -9.468 3.601 3.295 128 1HB ALA 17 HB1 ALA 17 -9.368 1.892 5.786 129 2HB ALA 17 HB2 ALA 17 -10.121 1.287 4.310 130 3HB ALA 17 HB3 ALA 17 -10.753 2.736 5.092 131 H LEU 18 HN LEU 18 -6.382 3.431 4.131 132 HA LEU 18 HA LEU 18 -6.325 5.922 5.571 133 1HB LEU 18 HB1 LEU 18 -7.171 3.970 7.175 134 2HB LEU 18 HB2 LEU 18 -5.448 3.607 7.277 135 HG LEU 18 HG LEU 18 -5.104 6.085 7.814 136 1HD1 LEU 18 HD11 LEU 18 -8.104 5.861 7.880 137 2HD1 LEU 18 HD12 LEU 18 -7.104 7.137 7.186 138 3HD1 LEU 18 HD13 LEU 18 -7.281 7.008 8.936 139 1HD2 LEU 18 HD21 LEU 18 -4.938 4.380 9.547 140 2HD2 LEU 18 HD22 LEU 18 -6.694 4.321 9.700 141 3HD2 LEU 18 HD23 LEU 18 -5.814 5.767 10.195 142 H GLY 19 HN GLY 19 -4.902 5.482 3.417 143 1HA GLY 19 HA1 GLY 19 -2.420 4.066 3.741 144 2HA GLY 19 HA2 GLY 19 -2.761 5.255 2.488 145 H ASP 20 HN ASP 20 -1.059 6.644 2.587 146 HA ASP 20 HA ASP 20 0.218 7.378 5.113 147 1HB ASP 20 HB2 ASP 20 1.214 7.077 2.741 148 2HB ASP 20 HB1 ASP 20 0.543 8.670 2.392 149 H GLU 21 HN GLU 21 0.200 9.489 6.046 150 HA GLU 21 HA GLU 21 -2.191 11.133 5.321 151 1HB GLU 21 HB2 GLU 21 -1.516 10.038 7.675 152 2HB GLU 21 HB1 GLU 21 -0.565 11.517 7.811 153 1HG GLU 21 HG2 GLU 21 -2.439 12.881 7.840 154 2HG GLU 21 HG1 GLU 21 -3.412 11.738 6.914 155 H ALA 22 HN ALA 22 1.300 11.159 5.560 156 HA ALA 22 HA ALA 22 1.587 14.064 5.442 157 1HB ALA 22 HB1 ALA 22 3.616 13.355 6.159 158 2HB ALA 22 HB2 ALA 22 3.920 12.681 4.558 159 3HB ALA 22 HB3 ALA 22 3.174 11.685 5.808 160 H GLU 23 HN GLU 23 1.883 11.373 3.102 161 HA GLU 23 HA GLU 23 2.595 13.050 0.861 162 1HB GLU 23 HB2 GLU 23 1.470 10.261 1.229 163 2HB GLU 23 HB1 GLU 23 1.896 10.912 -0.350 164 1HG GLU 23 HG2 GLU 23 4.197 11.174 0.277 165 2HG GLU 23 HG1 GLU 23 3.833 10.849 1.971 166 H GLY 24 HN GLY 24 -0.475 11.627 2.005 167 1HA GLY 24 HA2 GLY 24 -2.445 13.209 1.757 168 2HA GLY 24 HA1 GLY 24 -1.894 13.446 0.100 169 H PHE 25 HN PHE 25 -1.818 10.280 1.672 170 HA PHE 25 HA PHE 25 -3.389 9.109 -0.476 171 1HB PHE 25 HB2 PHE 25 -1.797 8.311 1.833 172 2HB PHE 25 HB1 PHE 25 -3.257 7.330 1.697 173 HD1 PHE 25 HD1 PHE 25 -0.891 8.904 -0.758 174 HD2 PHE 25 HD2 PHE 25 -2.876 5.332 0.560 175 HE1 PHE 25 HE1 PHE 25 0.136 7.640 -2.632 176 HE2 PHE 25 HE2 PHE 25 -1.848 4.069 -1.310 177 HZ PHE 25 HZ PHE 25 -0.347 5.220 -2.907 178 H THR 26 HN THR 26 -5.348 10.482 -0.226 179 HA THR 26 HA THR 26 -6.977 10.770 2.008 180 HB THR 26 HB THR 26 -7.243 11.742 -0.275 181 HG1 THR 26 HG1 THR 26 -9.519 11.614 -0.259 182 1HG2 THR 26 HG21 THR 26 -8.014 10.489 -2.098 183 2HG2 THR 26 HG22 THR 26 -8.640 9.201 -1.069 184 3HG2 THR 26 HG23 THR 26 -6.902 9.371 -1.308 185 HA PRO 27 HA PRO 27 -8.398 6.764 3.141 186 1HB PRO 27 HB1 PRO 27 -11.015 7.409 3.867 187 2HB PRO 27 HB2 PRO 27 -9.601 7.595 4.919 188 1HG PRO 27 HG1 PRO 27 -11.057 9.626 3.315 189 2HG PRO 27 HG2 PRO 27 -10.271 9.783 4.892 190 1HD PRO 27 HD1 PRO 27 -9.185 10.732 2.594 191 2HD PRO 27 HD2 PRO 27 -8.205 10.169 3.964 192 H GLY 28 HN GLY 28 -8.466 5.740 1.087 193 1HA GLY 28 HA2 GLY 28 -10.457 4.457 -0.012 194 2HA GLY 28 HA1 GLY 28 -10.973 6.073 -0.493 195 H THR 29 HN THR 29 -7.660 4.770 -0.379 196 HA THR 29 HA THR 29 -7.486 5.261 -3.336 197 HB THR 29 HB THR 29 -5.135 5.280 -1.451 198 HG1 THR 29 HG1 THR 29 -6.214 6.746 -0.374 199 1HG2 THR 29 HG21 THR 29 -5.867 6.337 -4.137 200 2HG2 THR 29 HG22 THR 29 -4.332 5.683 -3.565 201 3HG2 THR 29 HG23 THR 29 -4.792 7.337 -3.160 202 H ARG 30 HN ARG 30 -7.685 3.204 -4.186 203 HA ARG 30 HA ARG 30 -6.637 0.831 -2.867 204 1HB ARG 30 HB2 ARG 30 -7.935 1.575 -5.480 205 2HB ARG 30 HB1 ARG 30 -7.212 -0.025 -5.314 206 1HG ARG 30 HG2 ARG 30 -8.595 -0.480 -3.348 207 2HG ARG 30 HG1 ARG 30 -9.269 1.148 -3.417 208 1HD ARG 30 HD2 ARG 30 -10.511 0.683 -5.365 209 2HD ARG 30 HD1 ARG 30 -9.481 -0.694 -5.802 210 HE ARG 30 HE ARG 30 -10.786 -1.020 -3.209 211 1HH1 ARG 30 HH22 ARG 30 -11.109 -1.403 -6.655 212 2HH1 ARG 30 HH21 ARG 30 -12.298 -2.651 -6.515 213 1HH2 ARG 30 HH12 ARG 30 -12.331 -2.642 -3.055 214 2HH2 ARG 30 HH11 ARG 30 -12.986 -3.348 -4.495 215 H PHE 31 HN PHE 31 -4.725 -0.267 -3.317 216 HA PHE 31 HA PHE 31 -2.413 1.052 -4.218 217 1HB PHE 31 HB1 PHE 31 -3.127 -1.396 -3.173 218 2HB PHE 31 HB2 PHE 31 -2.604 -1.848 -4.795 219 HD1 PHE 31 HD1 PHE 31 -1.465 0.711 -2.293 220 HD2 PHE 31 HD2 PHE 31 -0.407 -2.607 -4.806 221 HE1 PHE 31 HE1 PHE 31 0.901 0.934 -1.591 222 HE2 PHE 31 HE2 PHE 31 1.961 -2.384 -4.104 223 HZ PHE 31 HZ PHE 31 2.616 -0.613 -2.495 224 H GLU 32 HN GLU 32 -4.895 -0.626 -6.082 225 HA GLU 32 HA GLU 32 -3.570 -1.080 -8.523 226 1HB GLU 32 HB1 GLU 32 -5.833 -1.828 -7.988 227 2HB GLU 32 HB2 GLU 32 -6.399 -0.160 -7.910 228 1HG GLU 32 HG1 GLU 32 -5.600 0.056 -10.342 229 2HG GLU 32 HG2 GLU 32 -5.468 -1.702 -10.339 230 H ASP 33 HN ASP 33 -5.362 1.860 -7.524 231 HA ASP 33 HA ASP 33 -4.581 3.353 -9.891 232 1HB ASP 33 HB1 ASP 33 -6.564 3.518 -8.087 233 2HB ASP 33 HB2 ASP 33 -5.446 4.661 -7.343 234 H ILE 34 HN ILE 34 -2.779 2.415 -7.211 235 HA ILE 34 HA ILE 34 -1.169 4.926 -7.167 236 HB ILE 34 HB ILE 34 -1.308 2.456 -5.399 237 1HG1 ILE 34 HG12 ILE 34 -1.962 5.269 -4.577 238 2HG1 ILE 34 HG11 ILE 34 -3.156 4.327 -5.469 239 1HG2 ILE 34 HG21 ILE 34 0.255 3.553 -3.925 240 2HG2 ILE 34 HG22 ILE 34 0.245 5.012 -4.915 241 3HG2 ILE 34 HG23 ILE 34 0.978 3.532 -5.533 242 1HD1 ILE 34 HD11 ILE 34 -1.778 3.144 -3.068 243 2HD1 ILE 34 HD12 ILE 34 -3.336 2.716 -3.772 244 3HD1 ILE 34 HD13 ILE 34 -3.165 4.214 -2.859 245 HA PRO 35 HA PRO 35 1.286 2.218 -9.966 246 1HB PRO 35 HB1 PRO 35 2.688 4.400 -11.002 247 2HB PRO 35 HB2 PRO 35 1.210 3.721 -11.705 248 1HG PRO 35 HG2 PRO 35 1.570 6.116 -9.985 249 2HG PRO 35 HG1 PRO 35 0.439 5.841 -11.317 250 1HD PRO 35 HD2 PRO 35 -0.303 5.762 -8.712 251 2HD PRO 35 HD1 PRO 35 -1.090 4.781 -9.968 252 H ASP 36 HN ASP 36 3.936 2.978 -10.406 253 HA ASP 36 HA ASP 36 5.176 2.338 -7.881 254 1HB ASP 36 HB2 ASP 36 6.200 3.332 -10.564 255 2HB ASP 36 HB1 ASP 36 7.256 2.774 -9.266 256 H ASP 37 HN ASP 37 4.195 5.337 -9.299 257 HA ASP 37 HA ASP 37 6.074 7.206 -8.423 258 1HB ASP 37 HB2 ASP 37 3.988 7.624 -9.729 259 2HB ASP 37 HB1 ASP 37 3.041 7.367 -8.263 260 H TRP 38 HN TRP 38 3.768 5.369 -6.489 261 HA TRP 38 HA TRP 38 4.332 6.962 -4.061 262 1HB TRP 38 HB1 TRP 38 2.066 6.135 -4.557 263 2HB TRP 38 HB2 TRP 38 2.668 4.479 -4.629 264 HD1 TRP 38 HD1 TRP 38 2.149 7.360 -2.143 265 HE1 TRP 38 HE1 TRP 38 2.024 6.375 0.236 266 HE3 TRP 38 HE3 TRP 38 3.249 2.476 -3.150 267 HZ2 TRP 38 HZ2 TRP 38 2.349 3.850 1.540 268 HZ3 TRP 38 HZ3 TRP 38 3.333 0.804 -1.323 269 HH2 TRP 38 HH2 TRP 38 2.886 1.484 1.019 270 H CYS 39 HN CYS 39 5.651 6.238 -2.376 271 HA CYS 39 HA CYS 39 7.049 3.616 -2.803 272 1HB CYS 39 HB1 CYS 39 7.997 6.287 -1.708 273 2HB CYS 39 HB2 CYS 39 8.967 4.815 -1.661 274 HG CYS 39 HG CYS 39 8.400 4.918 -4.441 275 H CYS 40 HN CYS 40 8.300 3.299 -0.425 276 HA CYS 40 HA CYS 40 6.060 2.826 1.435 277 1HB CYS 40 HB1 CYS 40 8.213 1.385 0.702 278 2HB CYS 40 HB2 CYS 40 8.918 2.228 2.080 279 HA PRO 41 HA PRO 41 7.053 6.512 3.717 280 1HB PRO 41 HB2 PRO 41 5.585 5.952 5.979 281 2HB PRO 41 HB1 PRO 41 4.862 6.541 4.471 282 1HG PRO 41 HG2 PRO 41 4.975 3.781 5.575 283 2HG PRO 41 HG1 PRO 41 3.679 4.587 4.681 284 1HD PRO 41 HD1 PRO 41 5.401 2.773 3.574 285 2HD PRO 41 HD2 PRO 41 4.579 4.047 2.651 286 H ASP 42 HN ASP 42 7.802 3.286 4.681 287 HA ASP 42 HA ASP 42 9.443 4.267 6.981 288 1HB ASP 42 HB1 ASP 42 7.602 2.266 6.805 289 2HB ASP 42 HB2 ASP 42 9.072 1.368 6.427 290 H CYS 43 HN CYS 43 9.625 2.736 3.821 291 HA CYS 43 HA CYS 43 12.568 2.325 4.210 292 1HB CYS 43 HB1 CYS 43 10.508 1.145 2.313 293 2HB CYS 43 HB2 CYS 43 12.234 0.805 2.207 294 H GLY 44 HN GLY 44 10.592 2.783 1.283 295 1HA GLY 44 HA2 GLY 44 10.695 5.045 0.147 296 2HA GLY 44 HA1 GLY 44 12.413 5.034 0.547 297 H ALA 45 HN ALA 45 10.571 2.226 -0.570 298 HA ALA 45 HA ALA 45 12.373 2.126 -2.960 299 1HB ALA 45 HB1 ALA 45 11.775 0.315 -0.922 300 2HB ALA 45 HB2 ALA 45 12.551 -0.088 -2.454 301 3HB ALA 45 HB3 ALA 45 10.805 -0.258 -2.278 302 H THR 46 HN THR 46 11.023 0.465 -4.615 303 HA THR 46 HA THR 46 8.867 2.149 -5.640 304 HB THR 46 HB THR 46 8.840 0.025 -7.245 305 HG1 THR 46 HG1 THR 46 10.548 -1.261 -7.023 306 1HG2 THR 46 HG21 THR 46 10.128 2.461 -7.249 307 2HG2 THR 46 HG22 THR 46 10.126 1.319 -8.593 308 3HG2 THR 46 HG23 THR 46 11.467 1.331 -7.448 309 H LYS 47 HN LYS 47 7.018 0.384 -6.628 310 HA LYS 47 HA LYS 47 5.501 -0.342 -4.219 311 1HB LYS 47 HB2 LYS 47 4.498 0.782 -6.183 312 2HB LYS 47 HB1 LYS 47 4.947 -0.587 -7.200 313 1HG LYS 47 HG1 LYS 47 3.384 -1.225 -4.754 314 2HG LYS 47 HG2 LYS 47 2.520 -0.365 -6.029 315 1HD LYS 47 HD1 LYS 47 3.977 -2.313 -7.395 316 2HD LYS 47 HD2 LYS 47 3.407 -3.143 -5.947 317 1HE LYS 47 HE2 LYS 47 1.094 -2.125 -6.480 318 2HE LYS 47 HE1 LYS 47 1.764 -1.764 -8.083 319 1HZ LYS 47 HZ1 LYS 47 0.696 -4.014 -7.855 320 2HZ LYS 47 HZ2 LYS 47 1.956 -4.435 -6.796 321 3HZ LYS 47 HZ3 LYS 47 2.301 -4.037 -8.410 322 H GLU 48 HN GLU 48 7.607 -1.953 -6.440 323 HA GLU 48 HA GLU 48 6.530 -4.573 -6.508 324 1HB GLU 48 HB1 GLU 48 9.381 -3.521 -6.436 325 2HB GLU 48 HB2 GLU 48 8.954 -5.170 -6.895 326 1HG GLU 48 HG2 GLU 48 7.427 -3.060 -8.293 327 2HG GLU 48 HG1 GLU 48 9.151 -3.093 -8.663 328 H ASP 49 HN ASP 49 8.064 -2.836 -3.902 329 HA ASP 49 HA ASP 49 8.839 -5.163 -2.334 330 1HB ASP 49 HB1 ASP 49 8.372 -2.225 -1.705 331 2HB ASP 49 HB2 ASP 49 9.115 -3.367 -0.585 332 H TYR 50 HN TYR 50 5.861 -3.470 -2.875 333 HA TYR 50 HA TYR 50 4.646 -4.449 -0.353 334 1HB TYR 50 HB1 TYR 50 4.173 -2.415 -2.452 335 2HB TYR 50 HB2 TYR 50 2.709 -3.159 -1.813 336 HD1 TYR 50 HD1 TYR 50 5.272 -0.728 -1.244 337 HD2 TYR 50 HD2 TYR 50 2.461 -3.283 0.756 338 HE1 TYR 50 HE1 TYR 50 5.448 0.675 0.791 339 HE2 TYR 50 HE2 TYR 50 2.637 -1.881 2.796 340 HH TYR 50 HH TYR 50 4.036 -0.299 3.823 341 H VAL 51 HN VAL 51 3.273 -6.193 -0.297 342 HA VAL 51 HA VAL 51 2.343 -7.329 -2.915 343 HB VAL 51 HB VAL 51 2.671 -9.553 -1.835 344 1HG1 VAL 51 HG11 VAL 51 4.741 -9.485 -2.714 345 2HG1 VAL 51 HG12 VAL 51 5.331 -8.609 -1.302 346 3HG1 VAL 51 HG13 VAL 51 4.679 -7.723 -2.680 347 1HG2 VAL 51 HG21 VAL 51 3.594 -9.780 0.335 348 2HG2 VAL 51 HG22 VAL 51 2.370 -8.524 0.512 349 3HG2 VAL 51 HG23 VAL 51 4.074 -8.085 0.398 350 H LEU 52 HN LEU 52 0.387 -8.844 -2.501 351 HA LEU 52 HA LEU 52 -1.598 -7.347 -0.938 352 1HB LEU 52 HB2 LEU 52 -1.630 -8.610 -3.292 353 2HB LEU 52 HB1 LEU 52 -2.128 -9.963 -2.278 354 HG LEU 52 HG LEU 52 -3.463 -7.375 -1.721 355 1HD1 LEU 52 HD21 LEU 52 -3.956 -8.950 -4.262 356 2HD1 LEU 52 HD22 LEU 52 -3.404 -7.279 -4.151 357 3HD1 LEU 52 HD23 LEU 52 -5.035 -7.705 -3.634 358 1HD2 LEU 52 HD11 LEU 52 -5.363 -8.819 -1.359 359 2HD2 LEU 52 HD12 LEU 52 -3.957 -9.589 -0.622 360 3HD2 LEU 52 HD13 LEU 52 -4.562 -10.160 -2.178 361 H TYR 53 HN TYR 53 -2.268 -7.902 1.095 362 HA TYR 53 HA TYR 53 -1.110 -10.262 2.419 363 1HB TYR 53 HB2 TYR 53 -1.557 -7.806 3.271 364 2HB TYR 53 HB1 TYR 53 -3.188 -8.406 3.570 365 HD1 TYR 53 HD1 TYR 53 0.284 -8.466 4.648 366 HD2 TYR 53 HD2 TYR 53 -3.540 -10.358 5.106 367 HE1 TYR 53 HE1 TYR 53 1.068 -9.532 6.744 368 HE2 TYR 53 HE2 TYR 53 -2.759 -11.429 7.202 369 HH TYR 53 HH TYR 53 0.423 -11.662 8.070 370 H GLU 54 HN GLU 54 -2.125 -12.207 2.070 371 HA GLU 54 HA GLU 54 -3.858 -13.798 1.863 372 1HB GLU 54 HB2 GLU 54 -4.748 -11.673 3.768 373 2HB GLU 54 HB1 GLU 54 -5.970 -12.824 3.228 374 1HG GLU 54 HG1 GLU 54 -4.199 -14.637 3.805 375 2HG GLU 54 HG2 GLU 54 -3.414 -13.360 4.734 376 H GLU 55 HN GLU 55 -6.254 -13.988 1.109 377 HA GLU 55 HA GLU 55 -7.717 -13.675 -0.721 378 1HB GLU 55 HB2 GLU 55 -7.980 -11.801 1.140 379 2HB GLU 55 HB1 GLU 55 -7.424 -10.742 -0.158 380 1HG GLU 55 HG2 GLU 55 -9.255 -12.121 -1.542 381 2HG GLU 55 HG1 GLU 55 -9.960 -12.303 0.064 382 H LYS 56 HN LYS 56 -5.312 -14.083 -1.853 383 HA LYS 56 HA LYS 56 -4.618 -11.766 -3.575 384 1HB LYS 56 HB1 LYS 56 -3.172 -13.707 -2.297 385 2HB LYS 56 HB2 LYS 56 -3.308 -14.409 -3.910 386 1HG LYS 56 HG2 LYS 56 -2.724 -11.720 -4.386 387 2HG LYS 56 HG1 LYS 56 -1.706 -12.143 -3.009 388 1HD LYS 56 HD2 LYS 56 -1.845 -14.088 -5.272 389 2HD LYS 56 HD1 LYS 56 -0.924 -12.606 -5.526 390 1HE LYS 56 HE1 LYS 56 -0.149 -13.459 -2.972 391 2HE LYS 56 HE2 LYS 56 -0.220 -14.945 -3.937 392 1HZ LYS 56 HZ1 LYS 56 1.908 -13.588 -4.098 393 2HZ LYS 56 HZ2 LYS 56 0.999 -12.445 -4.965 394 3HZ LYS 56 HZ3 LYS 56 1.176 -14.023 -5.568 Start of MODEL 2 1 H ALA 1 HT1 ALA 1 -15.281 -1.433 1.452 2 HA ALA 1 HA ALA 1 -14.290 -4.206 1.013 3 1HB ALA 1 HB1 ALA 1 -16.402 -3.560 -0.113 4 2HB ALA 1 HB2 ALA 1 -15.093 -3.697 -1.287 5 3HB ALA 1 HB3 ALA 1 -15.624 -2.106 -0.740 6 H TYR 2 HN TYR 2 -12.080 -3.669 1.522 7 HA TYR 2 HA TYR 2 -10.765 -1.985 -0.550 8 1HB TYR 2 HB2 TYR 2 -10.862 -1.564 2.428 9 2HB TYR 2 HB1 TYR 2 -9.422 -1.068 1.540 10 HD1 TYR 2 HD1 TYR 2 -10.010 0.190 -0.783 11 HD2 TYR 2 HD2 TYR 2 -12.533 0.036 2.690 12 HE1 TYR 2 HE1 TYR 2 -11.184 2.238 -1.546 13 HE2 TYR 2 HE2 TYR 2 -13.707 2.084 1.927 14 HH TYR 2 HH TYR 2 -12.648 4.192 -0.022 15 H LEU 3 HN LEU 3 -8.815 -2.854 -1.170 16 HA LEU 3 HA LEU 3 -8.036 -5.465 -0.152 17 1HB LEU 3 HB1 LEU 3 -7.459 -3.626 -2.352 18 2HB LEU 3 HB2 LEU 3 -5.998 -4.421 -1.769 19 HG LEU 3 HG LEU 3 -7.304 -6.613 -1.895 20 1HD1 LEU 3 HD11 LEU 3 -9.485 -5.074 -2.172 21 2HD1 LEU 3 HD12 LEU 3 -9.393 -6.693 -2.864 22 3HD1 LEU 3 HD13 LEU 3 -9.091 -5.282 -3.878 23 1HD2 LEU 3 HD21 LEU 3 -5.966 -5.090 -3.896 24 2HD2 LEU 3 HD22 LEU 3 -7.326 -5.900 -4.674 25 3HD2 LEU 3 HD23 LEU 3 -6.123 -6.845 -3.797 26 H LYS 4 HN LYS 4 -5.809 -5.912 0.653 27 HA LYS 4 HA LYS 4 -4.573 -3.594 2.093 28 1HB LYS 4 HB1 LYS 4 -5.756 -6.141 3.071 29 2HB LYS 4 HB2 LYS 4 -4.227 -5.679 3.816 30 1HG LYS 4 HG1 LYS 4 -5.272 -3.358 4.147 31 2HG LYS 4 HG2 LYS 4 -6.813 -4.115 3.744 32 1HD LYS 4 HD1 LYS 4 -5.019 -5.294 5.862 33 2HD LYS 4 HD2 LYS 4 -6.137 -3.987 6.250 34 1HE LYS 4 HE2 LYS 4 -7.670 -5.804 4.749 35 2HE LYS 4 HE1 LYS 4 -6.709 -6.810 5.850 36 1HZ LYS 4 HZ1 LYS 4 -8.813 -5.892 6.831 37 2HZ LYS 4 HZ2 LYS 4 -8.133 -4.341 6.697 38 3HZ LYS 4 HZ3 LYS 4 -7.403 -5.506 7.696 39 H TRP 5 HN TRP 5 -2.349 -3.568 1.910 40 HA TRP 5 HA TRP 5 -1.037 -5.969 0.669 41 1HB TRP 5 HB2 TRP 5 -0.229 -3.039 0.599 42 2HB TRP 5 HB1 TRP 5 0.486 -4.343 -0.341 43 HD1 TRP 5 HD1 TRP 5 -3.010 -2.742 0.123 44 HE1 TRP 5 HE1 TRP 5 -4.183 -2.717 -2.166 45 HE3 TRP 5 HE3 TRP 5 0.529 -5.103 -2.697 46 HZ2 TRP 5 HZ2 TRP 5 -3.689 -3.591 -4.849 47 HZ3 TRP 5 HZ3 TRP 5 0.153 -5.495 -5.115 48 HH2 TRP 5 HH2 TRP 5 -1.948 -4.743 -6.193 49 H ILE 6 HN ILE 6 1.494 -5.703 1.151 50 HA ILE 6 HA ILE 6 2.118 -4.668 3.810 51 HB ILE 6 HB ILE 6 0.826 -6.825 4.096 52 1HG1 ILE 6 HG11 ILE 6 2.309 -5.876 5.838 53 2HG1 ILE 6 HG12 ILE 6 2.247 -7.635 5.888 54 1HG2 ILE 6 HG21 ILE 6 1.990 -8.930 3.686 55 2HG2 ILE 6 HG22 ILE 6 3.388 -8.058 3.056 56 3HG2 ILE 6 HG23 ILE 6 1.859 -8.024 2.178 57 1HD1 ILE 6 HD11 ILE 6 4.347 -7.248 4.187 58 2HD1 ILE 6 HD12 ILE 6 4.517 -7.467 5.927 59 3HD1 ILE 6 HD13 ILE 6 4.504 -5.843 5.238 60 H CYS 7 HN CYS 7 4.198 -3.972 3.657 61 HA CYS 7 HA CYS 7 5.875 -4.600 1.395 62 1HB CYS 7 HB2 CYS 7 5.795 -2.491 2.821 63 2HB CYS 7 HB1 CYS 7 6.630 -3.397 4.081 64 H ILE 8 HN ILE 8 6.435 -6.809 1.294 65 HA ILE 8 HA ILE 8 7.095 -8.520 3.430 66 HB ILE 8 HB ILE 8 6.732 -9.339 1.194 67 1HG1 ILE 8 HG11 ILE 8 9.627 -9.881 1.234 68 2HG1 ILE 8 HG12 ILE 8 8.822 -10.178 2.774 69 1HG2 ILE 8 HG21 ILE 8 8.604 -7.199 0.584 70 2HG2 ILE 8 HG22 ILE 8 7.401 -7.959 -0.451 71 3HG2 ILE 8 HG23 ILE 8 8.994 -8.692 -0.267 72 1HD1 ILE 8 HD11 ILE 8 7.363 -11.777 1.835 73 2HD1 ILE 8 HD12 ILE 8 8.895 -12.109 1.028 74 3HD1 ILE 8 HD13 ILE 8 7.640 -11.194 0.194 75 H THR 9 HN THR 9 8.907 -5.899 2.058 76 HA THR 9 HA THR 9 11.498 -6.768 3.093 77 HB THR 9 HB THR 9 10.360 -4.204 1.918 78 HG1 THR 9 HG1 THR 9 12.173 -6.119 0.880 79 1HG2 THR 9 HG21 THR 9 13.128 -4.876 2.899 80 2HG2 THR 9 HG22 THR 9 12.187 -3.409 3.167 81 3HG2 THR 9 HG23 THR 9 12.897 -3.724 1.584 82 H CYS 10 HN CYS 10 8.818 -4.760 4.194 83 HA CYS 10 HA CYS 10 10.397 -3.989 6.611 84 1HB CYS 10 HB2 CYS 10 8.246 -2.797 4.961 85 2HB CYS 10 HB1 CYS 10 8.206 -2.431 6.681 86 H GLY 11 HN GLY 11 7.056 -4.919 5.687 87 1HA GLY 11 HA2 GLY 11 6.101 -6.907 6.888 88 2HA GLY 11 HA1 GLY 11 6.844 -6.264 8.352 89 H HIS 12 HN HIS 12 5.911 -3.505 7.002 90 HA HIS 12 HA HIS 12 3.522 -3.268 8.650 91 1HB HIS 12 HB1 HIS 12 5.264 -1.497 8.166 92 2HB HIS 12 HB2 HIS 12 4.650 -1.422 6.515 93 HD1 HIS 12 HD1 HIS 12 2.170 -1.990 9.226 94 HD2 HIS 12 HD2 HIS 12 3.670 1.248 7.071 95 HE1 HIS 12 HE1 HIS 12 0.605 -0.049 9.667 96 H ILE 13 HN ILE 13 1.392 -3.327 7.985 97 HA ILE 13 HA ILE 13 0.876 -4.234 5.201 98 HB ILE 13 HB ILE 13 -0.832 -4.096 7.715 99 1HG1 ILE 13 HG12 ILE 13 0.227 -6.588 6.400 100 2HG1 ILE 13 HG11 ILE 13 1.236 -5.685 7.528 101 1HG2 ILE 13 HG21 ILE 13 -1.426 -5.767 5.283 102 2HG2 ILE 13 HG22 ILE 13 -1.939 -4.081 5.338 103 3HG2 ILE 13 HG23 ILE 13 -2.526 -5.221 6.548 104 1HD1 ILE 13 HD11 ILE 13 -1.164 -7.333 8.044 105 2HD1 ILE 13 HD12 ILE 13 -1.119 -5.798 8.911 106 3HD1 ILE 13 HD13 ILE 13 0.193 -6.958 9.107 107 H TYR 14 HN TYR 14 -0.247 -2.981 3.744 108 HA TYR 14 HA TYR 14 -0.887 -0.190 4.516 109 1HB TYR 14 HB1 TYR 14 0.424 -0.628 2.496 110 2HB TYR 14 HB2 TYR 14 -0.814 -1.728 1.893 111 HD1 TYR 14 HD1 TYR 14 -2.654 -0.919 0.634 112 HD2 TYR 14 HD2 TYR 14 -0.213 1.824 2.869 113 HE1 TYR 14 HE1 TYR 14 -3.831 0.990 -0.420 114 HE2 TYR 14 HE2 TYR 14 -1.394 3.733 1.812 115 HH TYR 14 HH TYR 14 -4.254 3.277 -0.122 116 H ASP 15 HN ASP 15 -2.969 0.600 4.601 117 HA ASP 15 HA ASP 15 -5.191 -1.350 4.101 118 1HB ASP 15 HB2 ASP 15 -4.625 -0.352 6.435 119 2HB ASP 15 HB1 ASP 15 -5.284 1.154 5.799 120 H GLU 16 HN GLU 16 -6.010 -0.874 2.075 121 HA GLU 16 HA GLU 16 -5.807 1.502 0.615 122 1HB GLU 16 HB2 GLU 16 -7.644 -0.851 0.754 123 2HB GLU 16 HB1 GLU 16 -8.164 0.510 -0.236 124 1HG GLU 16 HG1 GLU 16 -5.725 0.403 -1.192 125 2HG GLU 16 HG2 GLU 16 -5.740 -1.239 -0.551 126 H ALA 17 HN ALA 17 -7.921 0.785 3.315 127 HA ALA 17 HA ALA 17 -9.641 3.137 2.797 128 1HB ALA 17 HB1 ALA 17 -11.051 2.089 4.298 129 2HB ALA 17 HB2 ALA 17 -9.724 1.592 5.347 130 3HB ALA 17 HB3 ALA 17 -10.068 0.687 3.874 131 H LEU 18 HN LEU 18 -6.603 3.111 3.675 132 HA LEU 18 HA LEU 18 -6.693 5.532 5.223 133 1HB LEU 18 HB1 LEU 18 -7.360 3.345 6.697 134 2HB LEU 18 HB2 LEU 18 -5.608 3.327 6.903 135 HG LEU 18 HG LEU 18 -7.102 5.910 7.240 136 1HD1 LEU 18 HD21 LEU 18 -8.106 3.901 8.612 137 2HD1 LEU 18 HD22 LEU 18 -7.778 5.433 9.423 138 3HD1 LEU 18 HD23 LEU 18 -6.648 4.089 9.586 139 1HD2 LEU 18 HD11 LEU 18 -4.816 4.915 8.906 140 2HD2 LEU 18 HD12 LEU 18 -5.203 6.564 8.416 141 3HD2 LEU 18 HD13 LEU 18 -4.499 5.441 7.253 142 H GLY 19 HN GLY 19 -5.208 5.490 3.168 143 1HA GLY 19 HA1 GLY 19 -2.704 4.084 3.280 144 2HA GLY 19 HA2 GLY 19 -3.055 5.462 2.240 145 H ASP 20 HN ASP 20 -1.307 6.774 2.590 146 HA ASP 20 HA ASP 20 -0.218 7.170 5.296 147 1HB ASP 20 HB2 ASP 20 1.097 6.941 3.143 148 2HB ASP 20 HB1 ASP 20 0.449 8.505 2.648 149 H GLU 21 HN GLU 21 -0.232 9.194 6.398 150 HA GLU 21 HA GLU 21 -2.475 10.999 5.636 151 1HB GLU 21 HB1 GLU 21 -0.840 10.419 8.113 152 2HB GLU 21 HB2 GLU 21 -1.851 11.861 8.025 153 1HG GLU 21 HG2 GLU 21 -3.790 10.370 7.417 154 2HG GLU 21 HG1 GLU 21 -2.753 8.981 7.738 155 H ALA 22 HN ALA 22 1.028 10.947 6.064 156 HA ALA 22 HA ALA 22 1.390 13.829 5.891 157 1HB ALA 22 HB1 ALA 22 3.068 11.333 5.802 158 2HB ALA 22 HB2 ALA 22 3.130 12.671 6.950 159 3HB ALA 22 HB3 ALA 22 3.799 12.866 5.330 160 H GLU 23 HN GLU 23 1.747 11.114 3.581 161 HA GLU 23 HA GLU 23 2.614 12.675 1.350 162 1HB GLU 23 HB2 GLU 23 1.135 10.049 1.683 163 2HB GLU 23 HB1 GLU 23 1.731 10.624 0.130 164 1HG GLU 23 HG1 GLU 23 3.573 10.476 2.504 165 2HG GLU 23 HG2 GLU 23 3.258 9.043 1.525 166 H GLY 24 HN GLY 24 -0.626 11.743 2.501 167 1HA GLY 24 HA2 GLY 24 -2.428 13.444 2.150 168 2HA GLY 24 HA1 GLY 24 -1.755 13.702 0.541 169 H PHE 25 HN PHE 25 -1.893 10.450 1.785 170 HA PHE 25 HA PHE 25 -3.466 9.523 -0.437 171 1HB PHE 25 HB2 PHE 25 -2.113 8.502 1.942 172 2HB PHE 25 HB1 PHE 25 -3.609 7.626 1.616 173 HD1 PHE 25 HD1 PHE 25 -0.919 9.191 -0.473 174 HD2 PHE 25 HD2 PHE 25 -3.288 5.707 0.335 175 HE1 PHE 25 HE1 PHE 25 0.196 8.001 -2.346 176 HE2 PHE 25 HE2 PHE 25 -2.179 4.515 -1.533 177 HZ PHE 25 HZ PHE 25 -0.435 5.659 -2.877 178 H THR 26 HN THR 26 -5.359 10.962 -0.289 179 HA THR 26 HA THR 26 -7.108 11.314 1.844 180 HB THR 26 HB THR 26 -7.160 12.333 -0.439 181 HG1 THR 26 HG1 THR 26 -8.986 12.574 0.802 182 1HG2 THR 26 HG21 THR 26 -7.093 9.761 -1.334 183 2HG2 THR 26 HG22 THR 26 -7.604 11.131 -2.320 184 3HG2 THR 26 HG23 THR 26 -8.808 10.128 -1.512 185 HA PRO 27 HA PRO 27 -8.872 7.432 2.889 186 1HB PRO 27 HB2 PRO 27 -11.539 8.750 2.915 187 2HB PRO 27 HB1 PRO 27 -10.686 7.920 4.228 188 1HG PRO 27 HG2 PRO 27 -10.950 10.593 4.141 189 2HG PRO 27 HG1 PRO 27 -9.533 9.798 4.839 190 1HD PRO 27 HD1 PRO 27 -9.822 11.214 2.242 191 2HD PRO 27 HD2 PRO 27 -8.410 11.082 3.311 192 H GLY 28 HN GLY 28 -8.876 6.083 1.096 193 1HA GLY 28 HA2 GLY 28 -10.657 4.917 -0.311 194 2HA GLY 28 HA1 GLY 28 -11.029 6.524 -0.935 195 H THR 29 HN THR 29 -7.805 5.191 -0.268 196 HA THR 29 HA THR 29 -7.148 5.613 -3.159 197 HB THR 29 HB THR 29 -5.336 5.408 -0.727 198 HG1 THR 29 HG1 THR 29 -6.629 7.188 -0.472 199 1HG2 THR 29 HG21 THR 29 -4.946 6.320 -3.587 200 2HG2 THR 29 HG22 THR 29 -4.103 5.018 -2.746 201 3HG2 THR 29 HG23 THR 29 -3.801 6.698 -2.301 202 H ARG 30 HN ARG 30 -6.498 3.861 -4.357 203 HA ARG 30 HA ARG 30 -6.069 1.271 -2.902 204 1HB ARG 30 HB2 ARG 30 -7.206 1.889 -5.656 205 2HB ARG 30 HB1 ARG 30 -7.021 0.270 -4.983 206 1HG ARG 30 HG1 ARG 30 -8.626 0.684 -3.275 207 2HG ARG 30 HG2 ARG 30 -8.589 2.424 -3.558 208 1HD ARG 30 HD1 ARG 30 -9.782 2.224 -5.611 209 2HD ARG 30 HD2 ARG 30 -9.487 0.477 -5.699 210 HE ARG 30 HE ARG 30 -10.795 0.795 -3.280 211 1HH1 ARG 30 HH22 ARG 30 -11.464 1.738 -6.564 212 2HH1 ARG 30 HH21 ARG 30 -13.178 1.664 -6.352 213 1HH2 ARG 30 HH11 ARG 30 -13.023 0.706 -3.030 214 2HH2 ARG 30 HH12 ARG 30 -14.056 1.084 -4.368 215 H PHE 31 HN PHE 31 -4.228 0.087 -3.453 216 HA PHE 31 HA PHE 31 -1.909 1.270 -4.461 217 1HB PHE 31 HB1 PHE 31 -2.800 -1.232 -3.570 218 2HB PHE 31 HB2 PHE 31 -2.177 -1.556 -5.186 219 HD1 PHE 31 HD1 PHE 31 0.158 -1.577 -5.621 220 HD2 PHE 31 HD2 PHE 31 -1.320 -0.009 -1.906 221 HE1 PHE 31 HE1 PHE 31 2.477 -1.458 -4.748 222 HE2 PHE 31 HE2 PHE 31 0.998 0.111 -1.033 223 HZ PHE 31 HZ PHE 31 2.895 -0.616 -2.454 224 H GLU 32 HN GLU 32 -4.474 -0.378 -6.297 225 HA GLU 32 HA GLU 32 -3.193 -0.551 -8.818 226 1HB GLU 32 HB1 GLU 32 -5.336 -1.588 -8.248 227 2HB GLU 32 HB2 GLU 32 -6.081 -0.003 -8.051 228 1HG GLU 32 HG1 GLU 32 -5.310 0.400 -10.512 229 2HG GLU 32 HG2 GLU 32 -5.156 -1.356 -10.581 230 H ASP 33 HN ASP 33 -4.805 2.175 -7.230 231 HA ASP 33 HA ASP 33 -4.508 3.899 -9.606 232 1HB ASP 33 HB2 ASP 33 -5.550 4.218 -6.775 233 2HB ASP 33 HB1 ASP 33 -5.487 5.565 -7.911 234 H ILE 34 HN ILE 34 -2.780 3.171 -6.656 235 HA ILE 34 HA ILE 34 -1.290 5.562 -6.292 236 HB ILE 34 HB ILE 34 -0.644 2.626 -5.854 237 1HG1 ILE 34 HG12 ILE 34 -1.737 4.829 -4.085 238 2HG1 ILE 34 HG11 ILE 34 -2.570 3.365 -4.591 239 1HG2 ILE 34 HG21 ILE 34 1.418 4.028 -5.954 240 2HG2 ILE 34 HG22 ILE 34 1.124 3.380 -4.341 241 3HG2 ILE 34 HG23 ILE 34 0.744 5.065 -4.697 242 1HD1 ILE 34 HD11 ILE 34 -1.866 2.587 -2.557 243 2HD1 ILE 34 HD12 ILE 34 -0.532 3.736 -2.463 244 3HD1 ILE 34 HD13 ILE 34 -0.368 2.273 -3.433 245 HA PRO 35 HA PRO 35 0.769 5.283 -10.317 246 1HB PRO 35 HB2 PRO 35 2.110 7.752 -9.368 247 2HB PRO 35 HB1 PRO 35 1.144 7.494 -10.832 248 1HG PRO 35 HG1 PRO 35 0.249 8.922 -8.736 249 2HG PRO 35 HG2 PRO 35 -0.824 7.972 -9.774 250 1HD PRO 35 HD1 PRO 35 0.169 7.382 -7.029 251 2HD PRO 35 HD2 PRO 35 -1.399 7.007 -7.772 252 H ASP 36 HN ASP 36 3.401 6.239 -10.557 253 HA ASP 36 HA ASP 36 4.862 4.213 -8.972 254 1HB ASP 36 HB1 ASP 36 5.271 5.908 -11.410 255 2HB ASP 36 HB2 ASP 36 6.710 5.328 -10.570 256 H ASP 37 HN ASP 37 4.447 7.690 -9.119 257 HA ASP 37 HA ASP 37 6.794 8.613 -7.851 258 1HB ASP 37 HB2 ASP 37 3.893 9.447 -7.896 259 2HB ASP 37 HB1 ASP 37 5.072 10.377 -6.971 260 H TRP 38 HN TRP 38 3.967 6.999 -6.486 261 HA TRP 38 HA TRP 38 4.623 7.586 -3.712 262 1HB TRP 38 HB1 TRP 38 2.344 7.120 -4.457 263 2HB TRP 38 HB2 TRP 38 2.836 5.555 -5.102 264 HD1 TRP 38 HD1 TRP 38 2.112 7.364 -1.828 265 HE1 TRP 38 HE1 TRP 38 1.935 5.624 0.067 266 HE3 TRP 38 HE3 TRP 38 3.619 3.175 -4.329 267 HZ2 TRP 38 HZ2 TRP 38 2.371 2.826 0.469 268 HZ3 TRP 38 HZ3 TRP 38 3.730 0.989 -3.168 269 HH2 TRP 38 HH2 TRP 38 3.107 0.808 -0.775 270 H CYS 39 HN CYS 39 5.042 5.699 -2.166 271 HA CYS 39 HA CYS 39 6.274 3.265 -3.118 272 1HB CYS 39 HB2 CYS 39 8.613 3.927 -2.510 273 2HB CYS 39 HB1 CYS 39 7.975 4.890 -3.835 274 HG CYS 39 HG CYS 39 7.421 6.772 -1.987 275 H CYS 40 HN CYS 40 8.079 2.864 -1.000 276 HA CYS 40 HA CYS 40 6.240 2.362 1.207 277 1HB CYS 40 HB1 CYS 40 8.525 1.234 0.214 278 2HB CYS 40 HB2 CYS 40 9.177 2.136 1.579 279 HA PRO 41 HA PRO 41 7.002 6.174 3.299 280 1HB PRO 41 HB2 PRO 41 6.140 5.466 5.808 281 2HB PRO 41 HB1 PRO 41 5.033 5.785 4.460 282 1HG PRO 41 HG2 PRO 41 5.978 3.187 5.572 283 2HG PRO 41 HG1 PRO 41 4.375 3.641 4.973 284 1HD PRO 41 HD2 PRO 41 6.179 2.172 3.536 285 2HD PRO 41 HD1 PRO 41 4.930 3.196 2.798 286 H ASP 42 HN ASP 42 8.688 3.282 3.985 287 HA ASP 42 HA ASP 42 10.537 4.773 5.821 288 1HB ASP 42 HB2 ASP 42 9.462 1.948 5.809 289 2HB ASP 42 HB1 ASP 42 10.951 2.342 6.669 290 H CYS 43 HN CYS 43 10.239 2.452 3.158 291 HA CYS 43 HA CYS 43 13.184 2.215 2.924 292 1HB CYS 43 HB1 CYS 43 10.763 1.013 1.552 293 2HB CYS 43 HB2 CYS 43 12.405 0.698 0.993 294 H GLY 44 HN GLY 44 10.649 2.741 0.469 295 1HA GLY 44 HA2 GLY 44 10.576 4.865 -0.824 296 2HA GLY 44 HA1 GLY 44 12.329 4.946 -0.642 297 H ALA 45 HN ALA 45 10.813 1.877 -1.282 298 HA ALA 45 HA ALA 45 12.123 1.866 -3.967 299 1HB ALA 45 HB1 ALA 45 12.607 0.200 -2.055 300 2HB ALA 45 HB2 ALA 45 12.255 -0.502 -3.635 301 3HB ALA 45 HB3 ALA 45 11.009 -0.468 -2.387 302 H THR 46 HN THR 46 10.879 0.350 -5.566 303 HA THR 46 HA THR 46 8.297 1.503 -6.105 304 HB THR 46 HB THR 46 8.323 -0.133 -7.946 305 HG1 THR 46 HG1 THR 46 10.222 -1.599 -7.881 306 1HG2 THR 46 HG21 THR 46 9.800 1.341 -8.809 307 2HG2 THR 46 HG22 THR 46 11.069 0.233 -8.289 308 3HG2 THR 46 HG23 THR 46 10.584 1.570 -7.246 309 H LYS 47 HN LYS 47 6.731 -0.699 -6.855 310 HA LYS 47 HA LYS 47 5.610 -1.496 -4.279 311 1HB LYS 47 HB1 LYS 47 4.967 -2.284 -7.145 312 2HB LYS 47 HB2 LYS 47 3.911 -2.537 -5.754 313 1HG LYS 47 HG1 LYS 47 3.755 -0.127 -5.390 314 2HG LYS 47 HG2 LYS 47 4.903 0.172 -6.695 315 1HD LYS 47 HD2 LYS 47 3.221 -1.158 -8.170 316 2HD LYS 47 HD1 LYS 47 2.071 -0.845 -6.870 317 1HE LYS 47 HE1 LYS 47 2.339 1.553 -7.121 318 2HE LYS 47 HE2 LYS 47 3.674 1.328 -8.268 319 1HZ LYS 47 HZ1 LYS 47 2.171 0.131 -9.732 320 2HZ LYS 47 HZ2 LYS 47 1.550 1.681 -9.414 321 3HZ LYS 47 HZ3 LYS 47 0.893 0.326 -8.629 322 H GLU 48 HN GLU 48 8.167 -2.735 -6.090 323 HA GLU 48 HA GLU 48 7.817 -5.514 -6.189 324 1HB GLU 48 HB2 GLU 48 9.810 -3.729 -6.659 325 2HB GLU 48 HB1 GLU 48 10.413 -4.461 -5.172 326 1HG GLU 48 HG1 GLU 48 9.360 -6.367 -7.178 327 2HG GLU 48 HG2 GLU 48 10.830 -5.514 -7.651 328 H ASP 49 HN ASP 49 8.917 -3.544 -3.410 329 HA ASP 49 HA ASP 49 9.186 -5.816 -1.622 330 1HB ASP 49 HB1 ASP 49 9.414 -3.974 0.056 331 2HB ASP 49 HB2 ASP 49 10.416 -3.696 -1.369 332 H TYR 50 HN TYR 50 6.528 -3.835 -2.680 333 HA TYR 50 HA TYR 50 4.827 -4.533 -0.365 334 1HB TYR 50 HB1 TYR 50 4.862 -2.687 -2.677 335 2HB TYR 50 HB2 TYR 50 3.262 -3.300 -2.266 336 HD1 TYR 50 HD1 TYR 50 2.543 -3.184 0.213 337 HD2 TYR 50 HD2 TYR 50 5.822 -0.946 -1.422 338 HE1 TYR 50 HE1 TYR 50 2.429 -1.617 2.133 339 HE2 TYR 50 HE2 TYR 50 5.709 0.622 0.495 340 HH TYR 50 HH TYR 50 3.075 0.595 2.737 341 H VAL 51 HN VAL 51 3.480 -6.286 -0.372 342 HA VAL 51 HA VAL 51 2.818 -7.554 -3.012 343 HB VAL 51 HB VAL 51 3.018 -9.724 -1.753 344 1HG1 VAL 51 HG11 VAL 51 5.450 -9.748 -1.709 345 2HG1 VAL 51 HG12 VAL 51 5.501 -7.991 -1.562 346 3HG1 VAL 51 HG13 VAL 51 4.924 -8.734 -3.053 347 1HG2 VAL 51 HG21 VAL 51 3.418 -9.803 0.488 348 2HG2 VAL 51 HG22 VAL 51 2.802 -8.150 0.478 349 3HG2 VAL 51 HG23 VAL 51 4.541 -8.444 0.431 350 H LEU 52 HN LEU 52 0.753 -8.777 -2.957 351 HA LEU 52 HA LEU 52 -1.335 -7.361 -1.524 352 1HB LEU 52 HB2 LEU 52 -1.179 -8.670 -3.838 353 2HB LEU 52 HB1 LEU 52 -1.718 -10.018 -2.839 354 HG LEU 52 HG LEU 52 -3.144 -7.446 -2.437 355 1HD1 LEU 52 HD21 LEU 52 -3.175 -7.229 -4.757 356 2HD1 LEU 52 HD22 LEU 52 -4.626 -8.191 -4.467 357 3HD1 LEU 52 HD23 LEU 52 -3.145 -8.973 -5.021 358 1HD2 LEU 52 HD11 LEU 52 -4.164 -10.260 -2.885 359 2HD2 LEU 52 HD12 LEU 52 -5.026 -8.914 -2.138 360 3HD2 LEU 52 HD13 LEU 52 -3.652 -9.650 -1.311 361 H TYR 53 HN TYR 53 -1.820 -7.755 0.593 362 HA TYR 53 HA TYR 53 -0.834 -10.040 2.055 363 1HB TYR 53 HB2 TYR 53 -1.404 -7.686 2.866 364 2HB TYR 53 HB1 TYR 53 -3.102 -8.152 2.769 365 HD1 TYR 53 HD1 TYR 53 0.068 -8.614 4.560 366 HD2 TYR 53 HD2 TYR 53 -4.023 -9.888 4.256 367 HE1 TYR 53 HE1 TYR 53 0.245 -9.707 6.779 368 HE2 TYR 53 HE2 TYR 53 -3.847 -10.982 6.475 369 HH TYR 53 HH TYR 53 -1.124 -11.792 7.914 370 H GLU 54 HN GLU 54 -1.761 -12.040 2.258 371 HA GLU 54 HA GLU 54 -4.542 -12.415 1.218 372 1HB GLU 54 HB2 GLU 54 -2.473 -13.599 0.252 373 2HB GLU 54 HB1 GLU 54 -2.413 -14.504 1.765 374 1HG GLU 54 HG1 GLU 54 -4.484 -15.554 1.358 375 2HG GLU 54 HG2 GLU 54 -4.959 -14.353 0.158 376 H GLU 55 HN GLU 55 -6.082 -12.709 2.777 377 HA GLU 55 HA GLU 55 -5.453 -13.029 5.573 378 1HB GLU 55 HB1 GLU 55 -7.942 -13.291 5.712 379 2HB GLU 55 HB2 GLU 55 -7.470 -11.918 4.711 380 1HG GLU 55 HG1 GLU 55 -7.519 -14.055 2.923 381 2HG GLU 55 HG2 GLU 55 -8.914 -14.345 3.963 382 H LYS 56 HN LYS 56 -4.761 -14.914 6.491 383 HA LYS 56 HA LYS 56 -6.142 -17.444 5.886 384 1HB LYS 56 HB1 LYS 56 -4.219 -16.889 4.178 385 2HB LYS 56 HB2 LYS 56 -3.150 -17.345 5.506 386 1HG LYS 56 HG1 LYS 56 -4.403 -19.512 5.690 387 2HG LYS 56 HG2 LYS 56 -5.317 -19.057 4.253 388 1HD LYS 56 HD1 LYS 56 -2.301 -19.355 4.401 389 2HD LYS 56 HD2 LYS 56 -3.409 -20.512 3.663 390 1HE LYS 56 HE2 LYS 56 -4.202 -18.346 2.310 391 2HE LYS 56 HE1 LYS 56 -2.550 -17.817 2.679 392 1HZ LYS 56 HZ1 LYS 56 -2.670 -19.160 0.630 393 2HZ LYS 56 HZ2 LYS 56 -3.281 -20.464 1.530 394 3HZ LYS 56 HZ3 LYS 56 -1.708 -19.897 1.820 Start of MODEL 3 1 H ALA 1 HT1 ALA 1 -13.576 -4.426 0.909 2 HA ALA 1 HA ALA 1 -14.848 -3.140 -1.441 3 1HB ALA 1 HB1 ALA 1 -14.600 -2.175 1.434 4 2HB ALA 1 HB2 ALA 1 -16.104 -2.636 0.637 5 3HB ALA 1 HB3 ALA 1 -15.214 -1.215 0.088 6 H TYR 2 HN TYR 2 -12.542 -2.622 1.266 7 HA TYR 2 HA TYR 2 -10.674 -1.337 -0.680 8 1HB TYR 2 HB2 TYR 2 -11.139 -1.254 2.304 9 2HB TYR 2 HB1 TYR 2 -9.626 -0.657 1.620 10 HD1 TYR 2 HD1 TYR 2 -9.858 0.999 -0.406 11 HD2 TYR 2 HD2 TYR 2 -12.990 0.173 2.415 12 HE1 TYR 2 HE1 TYR 2 -10.977 3.123 -1.027 13 HE2 TYR 2 HE2 TYR 2 -14.109 2.297 1.795 14 HH TYR 2 HH TYR 2 -12.835 4.737 0.508 15 H LEU 3 HN LEU 3 -8.724 -2.294 -1.134 16 HA LEU 3 HA LEU 3 -8.169 -4.952 0.057 17 1HB LEU 3 HB1 LEU 3 -7.462 -3.377 -2.369 18 2HB LEU 3 HB2 LEU 3 -6.221 -4.489 -1.793 19 HG LEU 3 HG LEU 3 -8.142 -6.232 -1.665 20 1HD1 LEU 3 HD21 LEU 3 -9.860 -5.697 -3.518 21 2HD1 LEU 3 HD22 LEU 3 -9.352 -4.018 -3.329 22 3HD1 LEU 3 HD23 LEU 3 -10.071 -4.881 -1.969 23 1HD2 LEU 3 HD11 LEU 3 -7.724 -6.908 -3.935 24 2HD2 LEU 3 HD12 LEU 3 -6.248 -6.142 -3.346 25 3HD2 LEU 3 HD13 LEU 3 -7.336 -5.257 -4.417 26 H LYS 4 HN LYS 4 -5.901 -5.421 0.742 27 HA LYS 4 HA LYS 4 -4.440 -3.009 1.748 28 1HB LYS 4 HB1 LYS 4 -5.003 -5.587 3.250 29 2HB LYS 4 HB2 LYS 4 -4.148 -4.185 3.887 30 1HG LYS 4 HG2 LYS 4 -6.147 -3.418 4.601 31 2HG LYS 4 HG1 LYS 4 -6.562 -3.154 2.909 32 1HD LYS 4 HD1 LYS 4 -7.473 -5.427 2.755 33 2HD LYS 4 HD2 LYS 4 -7.003 -5.745 4.424 34 1HE LYS 4 HE2 LYS 4 -8.761 -4.538 5.277 35 2HE LYS 4 HE1 LYS 4 -8.676 -3.321 3.988 36 1HZ LYS 4 HZ1 LYS 4 -9.669 -4.820 2.459 37 2HZ LYS 4 HZ2 LYS 4 -10.633 -4.870 3.857 38 3HZ LYS 4 HZ3 LYS 4 -9.538 -6.128 3.534 39 H TRP 5 HN TRP 5 -2.177 -3.263 1.752 40 HA TRP 5 HA TRP 5 -1.143 -5.783 0.481 41 1HB TRP 5 HB2 TRP 5 -0.124 -2.925 0.294 42 2HB TRP 5 HB1 TRP 5 0.487 -4.306 -0.614 43 HD1 TRP 5 HD1 TRP 5 -2.930 -2.548 -0.109 44 HE1 TRP 5 HE1 TRP 5 -4.151 -2.503 -2.365 45 HE3 TRP 5 HE3 TRP 5 0.467 -5.053 -2.978 46 HZ2 TRP 5 HZ2 TRP 5 -3.746 -3.422 -5.052 47 HZ3 TRP 5 HZ3 TRP 5 0.024 -5.455 -5.384 48 HH2 TRP 5 HH2 TRP 5 -2.076 -4.644 -6.423 49 H ILE 6 HN ILE 6 1.439 -5.678 0.884 50 HA ILE 6 HA ILE 6 2.067 -4.716 3.595 51 HB ILE 6 HB ILE 6 0.879 -6.953 3.709 52 1HG1 ILE 6 HG11 ILE 6 2.290 -6.029 5.524 53 2HG1 ILE 6 HG12 ILE 6 2.336 -7.786 5.466 54 1HG2 ILE 6 HG21 ILE 6 2.119 -8.956 3.151 55 2HG2 ILE 6 HG22 ILE 6 3.524 -8.001 2.679 56 3HG2 ILE 6 HG23 ILE 6 2.049 -7.933 1.715 57 1HD1 ILE 6 HD11 ILE 6 4.418 -7.176 3.818 58 2HD1 ILE 6 HD12 ILE 6 4.584 -7.487 5.542 59 3HD1 ILE 6 HD13 ILE 6 4.481 -5.829 4.951 60 H CYS 7 HN CYS 7 4.152 -4.026 3.609 61 HA CYS 7 HA CYS 7 5.872 -4.436 1.297 62 1HB CYS 7 HB2 CYS 7 5.592 -2.436 2.977 63 2HB CYS 7 HB1 CYS 7 6.709 -3.352 3.988 64 H ILE 8 HN ILE 8 6.297 -6.739 1.248 65 HA ILE 8 HA ILE 8 7.067 -8.400 3.385 66 HB ILE 8 HB ILE 8 8.219 -9.692 1.571 67 1HG1 ILE 8 HG11 ILE 8 7.451 -7.484 -0.324 68 2HG1 ILE 8 HG12 ILE 8 9.015 -7.446 0.489 69 1HG2 ILE 8 HG21 ILE 8 5.647 -8.464 0.554 70 2HG2 ILE 8 HG22 ILE 8 5.691 -9.627 1.880 71 3HG2 ILE 8 HG23 ILE 8 6.245 -10.099 0.274 72 1HD1 ILE 8 HD11 ILE 8 9.332 -9.851 -0.341 73 2HD1 ILE 8 HD12 ILE 8 9.402 -8.588 -1.568 74 3HD1 ILE 8 HD13 ILE 8 7.942 -9.560 -1.387 75 H THR 9 HN THR 9 8.837 -5.844 1.813 76 HA THR 9 HA THR 9 11.500 -6.567 2.626 77 HB THR 9 HB THR 9 10.097 -3.955 1.952 78 HG1 THR 9 HG1 THR 9 11.810 -5.638 0.445 79 1HG2 THR 9 HG21 THR 9 12.827 -4.491 2.872 80 2HG2 THR 9 HG22 THR 9 11.971 -2.955 2.726 81 3HG2 THR 9 HG23 THR 9 12.776 -3.654 1.321 82 H CYS 10 HN CYS 10 8.817 -4.965 4.252 83 HA CYS 10 HA CYS 10 10.579 -4.557 6.639 84 1HB CYS 10 HB2 CYS 10 8.299 -2.926 5.545 85 2HB CYS 10 HB1 CYS 10 9.093 -2.589 7.076 86 H GLY 11 HN GLY 11 7.145 -4.972 5.669 87 1HA GLY 11 HA2 GLY 11 5.951 -6.899 6.754 88 2HA GLY 11 HA1 GLY 11 6.751 -6.430 8.251 89 H HIS 12 HN HIS 12 5.797 -3.747 6.347 90 HA HIS 12 HA HIS 12 3.662 -3.113 8.305 91 1HB HIS 12 HB2 HIS 12 5.543 -1.732 6.501 92 2HB HIS 12 HB1 HIS 12 3.937 -1.004 6.527 93 HD1 HIS 12 HD1 HIS 12 3.611 0.652 8.351 94 HD2 HIS 12 HD2 HIS 12 6.473 -2.201 9.380 95 HE1 HIS 12 HE1 HIS 12 4.481 1.301 10.640 96 H ILE 13 HN ILE 13 1.540 -3.461 7.773 97 HA ILE 13 HA ILE 13 0.848 -4.205 5.006 98 HB ILE 13 HB ILE 13 -0.667 -4.070 7.639 99 1HG1 ILE 13 HG12 ILE 13 0.048 -6.549 6.090 100 2HG1 ILE 13 HG11 ILE 13 1.246 -5.791 7.138 101 1HG2 ILE 13 HG21 ILE 13 -1.526 -5.067 4.906 102 2HG2 ILE 13 HG22 ILE 13 -2.290 -3.804 5.870 103 3HG2 ILE 13 HG23 ILE 13 -2.365 -5.484 6.400 104 1HD1 ILE 13 HD11 ILE 13 -1.528 -6.363 8.164 105 2HD1 ILE 13 HD12 ILE 13 -0.032 -6.162 9.076 106 3HD1 ILE 13 HD13 ILE 13 -0.306 -7.634 8.144 107 H TYR 14 HN TYR 14 -0.436 -2.974 3.642 108 HA TYR 14 HA TYR 14 -0.989 -0.160 4.475 109 1HB TYR 14 HB1 TYR 14 0.401 -0.486 2.494 110 2HB TYR 14 HB2 TYR 14 -0.778 -1.599 1.802 111 HD1 TYR 14 HD1 TYR 14 -2.695 -0.799 0.600 112 HD2 TYR 14 HD2 TYR 14 -0.217 1.942 2.805 113 HE1 TYR 14 HE1 TYR 14 -3.876 1.116 -0.442 114 HE2 TYR 14 HE2 TYR 14 -1.405 3.854 1.760 115 HH TYR 14 HH TYR 14 -3.793 4.180 0.709 116 H ASP 15 HN ASP 15 -3.056 0.718 4.219 117 HA ASP 15 HA ASP 15 -5.261 -1.224 3.596 118 1HB ASP 15 HB2 ASP 15 -4.963 -0.609 6.016 119 2HB ASP 15 HB1 ASP 15 -5.224 1.080 5.582 120 H GLU 16 HN GLU 16 -5.905 -0.555 1.550 121 HA GLU 16 HA GLU 16 -5.656 1.963 0.360 122 1HB GLU 16 HB1 GLU 16 -7.771 -0.201 0.134 123 2HB GLU 16 HB2 GLU 16 -7.668 1.153 -0.990 124 1HG GLU 16 HG1 GLU 16 -5.351 0.512 -1.549 125 2HG GLU 16 HG2 GLU 16 -5.451 -0.842 -0.427 126 H ALA 17 HN ALA 17 -7.930 0.950 2.820 127 HA ALA 17 HA ALA 17 -9.603 3.373 2.463 128 1HB ALA 17 HB1 ALA 17 -10.121 1.710 4.798 129 2HB ALA 17 HB2 ALA 17 -9.959 0.723 3.346 130 3HB ALA 17 HB3 ALA 17 -11.159 2.015 3.407 131 H LEU 18 HN LEU 18 -6.673 3.253 3.518 132 HA LEU 18 HA LEU 18 -6.911 5.366 5.461 133 1HB LEU 18 HB1 LEU 18 -7.605 2.981 6.513 134 2HB LEU 18 HB2 LEU 18 -5.858 2.869 6.729 135 HG LEU 18 HG LEU 18 -6.021 5.238 7.746 136 1HD1 LEU 18 HD11 LEU 18 -8.135 5.981 8.520 137 2HD1 LEU 18 HD12 LEU 18 -8.884 4.411 8.230 138 3HD1 LEU 18 HD13 LEU 18 -8.440 5.442 6.869 139 1HD2 LEU 18 HD21 LEU 18 -6.945 4.205 9.943 140 2HD2 LEU 18 HD22 LEU 18 -5.502 3.481 9.233 141 3HD2 LEU 18 HD23 LEU 18 -7.074 2.713 9.014 142 H GLY 19 HN GLY 19 -5.345 5.613 3.412 143 1HA GLY 19 HA1 GLY 19 -2.759 4.331 3.580 144 2HA GLY 19 HA2 GLY 19 -3.148 5.729 2.578 145 H ASP 20 HN ASP 20 -1.410 7.035 3.112 146 HA ASP 20 HA ASP 20 -0.880 7.586 5.993 147 1HB ASP 20 HB1 ASP 20 0.595 7.499 3.428 148 2HB ASP 20 HB2 ASP 20 1.057 8.837 4.484 149 H GLU 21 HN GLU 21 -0.237 9.964 6.395 150 HA GLU 21 HA GLU 21 -2.253 11.729 5.065 151 1HB GLU 21 HB1 GLU 21 -1.032 11.434 7.772 152 2HB GLU 21 HB2 GLU 21 -1.438 13.075 7.267 153 1HG GLU 21 HG1 GLU 21 -3.743 12.418 6.834 154 2HG GLU 21 HG2 GLU 21 -3.362 10.730 7.177 155 H ALA 22 HN ALA 22 1.170 11.482 5.974 156 HA ALA 22 HA ALA 22 1.954 14.119 5.140 157 1HB ALA 22 HB1 ALA 22 3.542 11.525 5.176 158 2HB ALA 22 HB2 ALA 22 3.205 12.495 6.611 159 3HB ALA 22 HB3 ALA 22 4.195 13.158 5.311 160 H GLU 23 HN GLU 23 1.879 10.975 3.439 161 HA GLU 23 HA GLU 23 2.986 12.014 0.974 162 1HB GLU 23 HB2 GLU 23 1.332 9.547 1.629 163 2HB GLU 23 HB1 GLU 23 2.296 9.771 0.175 164 1HG GLU 23 HG1 GLU 23 3.500 9.963 2.937 165 2HG GLU 23 HG2 GLU 23 3.396 8.434 2.065 166 H GLY 24 HN GLY 24 -0.020 12.540 2.416 167 1HA GLY 24 HA2 GLY 24 -1.901 13.651 1.525 168 2HA GLY 24 HA1 GLY 24 -1.117 13.630 -0.055 169 H PHE 25 HN PHE 25 -1.429 10.669 1.765 170 HA PHE 25 HA PHE 25 -3.024 9.471 -0.383 171 1HB PHE 25 HB1 PHE 25 -1.265 8.745 1.815 172 2HB PHE 25 HB2 PHE 25 -2.720 7.766 1.866 173 HD1 PHE 25 HD1 PHE 25 -1.372 9.117 -1.311 174 HD2 PHE 25 HD2 PHE 25 -1.553 5.729 1.314 175 HE1 PHE 25 HE1 PHE 25 -0.452 7.677 -3.109 176 HE2 PHE 25 HE2 PHE 25 -0.635 4.285 -0.484 177 HZ PHE 25 HZ PHE 25 -0.079 5.263 -2.693 178 H THR 26 HN THR 26 -4.950 10.892 0.002 179 HA THR 26 HA THR 26 -6.449 11.153 2.326 180 HB THR 26 HB THR 26 -6.818 12.172 0.075 181 HG1 THR 26 HG1 THR 26 -8.741 12.547 0.783 182 1HG2 THR 26 HG21 THR 26 -7.508 10.965 -1.749 183 2HG2 THR 26 HG22 THR 26 -8.428 9.820 -0.772 184 3HG2 THR 26 HG23 THR 26 -6.675 9.667 -0.893 185 HA PRO 27 HA PRO 27 -7.881 7.165 3.504 186 1HB PRO 27 HB1 PRO 27 -10.544 8.378 4.016 187 2HB PRO 27 HB2 PRO 27 -9.447 7.564 5.146 188 1HG PRO 27 HG2 PRO 27 -9.833 10.223 5.171 189 2HG PRO 27 HG1 PRO 27 -8.285 9.481 5.600 190 1HD PRO 27 HD1 PRO 27 -9.075 10.911 3.112 191 2HD PRO 27 HD2 PRO 27 -7.502 10.853 3.938 192 H GLY 28 HN GLY 28 -8.293 5.723 1.867 193 1HA GLY 28 HA2 GLY 28 -10.197 4.608 0.672 194 2HA GLY 28 HA1 GLY 28 -10.706 6.218 0.168 195 H THR 29 HN THR 29 -7.296 5.719 0.195 196 HA THR 29 HA THR 29 -7.227 5.936 -2.743 197 HB THR 29 HB THR 29 -5.017 5.716 -0.664 198 HG1 THR 29 HG1 THR 29 -6.147 7.501 -0.149 199 1HG2 THR 29 HG21 THR 29 -3.537 6.361 -2.324 200 2HG2 THR 29 HG22 THR 29 -4.782 7.196 -3.255 201 3HG2 THR 29 HG23 THR 29 -4.684 5.435 -3.292 202 H ARG 30 HN ARG 30 -7.340 4.080 -3.934 203 HA ARG 30 HA ARG 30 -6.572 1.488 -2.736 204 1HB ARG 30 HB2 ARG 30 -7.770 2.345 -5.396 205 2HB ARG 30 HB1 ARG 30 -7.549 0.664 -4.907 206 1HG ARG 30 HG1 ARG 30 -8.878 1.372 -2.770 207 2HG ARG 30 HG2 ARG 30 -9.402 2.739 -3.754 208 1HD ARG 30 HD2 ARG 30 -10.088 1.026 -5.532 209 2HD ARG 30 HD1 ARG 30 -9.853 -0.212 -4.283 210 HE ARG 30 HE ARG 30 -11.803 0.598 -3.214 211 1HH1 ARG 30 HH12 ARG 30 -10.548 2.960 -5.443 212 2HH1 ARG 30 HH11 ARG 30 -11.886 4.034 -5.226 213 1HH2 ARG 30 HH22 ARG 30 -13.526 2.010 -2.950 214 2HH2 ARG 30 HH21 ARG 30 -13.560 3.502 -3.827 215 H PHE 31 HN PHE 31 -4.784 0.289 -3.388 216 HA PHE 31 HA PHE 31 -2.501 1.555 -4.520 217 1HB PHE 31 HB1 PHE 31 -3.165 -0.804 -3.249 218 2HB PHE 31 HB2 PHE 31 -2.803 -1.369 -4.878 219 HD1 PHE 31 HD1 PHE 31 -1.314 1.482 -2.959 220 HD2 PHE 31 HD2 PHE 31 -0.690 -2.385 -4.720 221 HE1 PHE 31 HE1 PHE 31 1.109 1.655 -2.480 222 HE2 PHE 31 HE2 PHE 31 1.735 -2.213 -4.237 223 HZ PHE 31 HZ PHE 31 2.636 -0.192 -3.118 224 H GLU 32 HN GLU 32 -5.098 -0.352 -6.004 225 HA GLU 32 HA GLU 32 -4.027 -0.872 -8.543 226 1HB GLU 32 HB1 GLU 32 -6.191 -1.665 -7.715 227 2HB GLU 32 HB2 GLU 32 -6.821 -0.018 -7.710 228 1HG GLU 32 HG1 GLU 32 -7.616 -0.969 -9.743 229 2HG GLU 32 HG2 GLU 32 -6.238 0.023 -10.219 230 H ASP 33 HN ASP 33 -5.230 2.173 -7.220 231 HA ASP 33 HA ASP 33 -4.867 3.503 -9.864 232 1HB ASP 33 HB1 ASP 33 -6.924 3.682 -8.268 233 2HB ASP 33 HB2 ASP 33 -5.891 4.735 -7.299 234 H ILE 34 HN ILE 34 -2.720 2.609 -7.761 235 HA ILE 34 HA ILE 34 -1.409 5.290 -7.458 236 HB ILE 34 HB ILE 34 -1.254 2.706 -5.868 237 1HG1 ILE 34 HG12 ILE 34 -2.118 5.492 -5.053 238 2HG1 ILE 34 HG11 ILE 34 -3.236 4.212 -5.527 239 1HG2 ILE 34 HG21 ILE 34 0.726 3.361 -5.026 240 2HG2 ILE 34 HG22 ILE 34 0.061 4.941 -4.614 241 3HG2 ILE 34 HG23 ILE 34 0.763 4.668 -6.210 242 1HD1 ILE 34 HD11 ILE 34 -3.028 3.152 -3.532 243 2HD1 ILE 34 HD12 ILE 34 -2.317 4.659 -2.955 244 3HD1 ILE 34 HD13 ILE 34 -1.276 3.351 -3.517 245 HA PRO 35 HA PRO 35 1.137 3.315 -10.668 246 1HB PRO 35 HB2 PRO 35 2.556 5.922 -10.482 247 2HB PRO 35 HB1 PRO 35 1.872 5.116 -11.906 248 1HG PRO 35 HG1 PRO 35 0.733 7.276 -10.787 249 2HG PRO 35 HG2 PRO 35 -0.211 5.998 -11.563 250 1HD PRO 35 HD2 PRO 35 0.166 6.584 -8.673 251 2HD PRO 35 HD1 PRO 35 -1.244 5.916 -9.520 252 H ASP 36 HN ASP 36 3.886 4.173 -10.720 253 HA ASP 36 HA ASP 36 4.856 2.780 -8.288 254 1HB ASP 36 HB2 ASP 36 6.091 3.651 -10.924 255 2HB ASP 36 HB1 ASP 36 6.994 2.810 -9.663 256 H ASP 37 HN ASP 37 3.969 5.784 -8.557 257 HA ASP 37 HA ASP 37 6.439 7.259 -7.988 258 1HB ASP 37 HB2 ASP 37 4.455 8.196 -9.172 259 2HB ASP 37 HB1 ASP 37 3.494 7.974 -7.709 260 H TRP 38 HN TRP 38 3.538 6.317 -6.107 261 HA TRP 38 HA TRP 38 4.427 7.341 -3.591 262 1HB TRP 38 HB1 TRP 38 2.112 6.717 -4.107 263 2HB TRP 38 HB2 TRP 38 2.593 5.041 -4.366 264 HD1 TRP 38 HD1 TRP 38 2.130 7.636 -1.594 265 HE1 TRP 38 HE1 TRP 38 1.990 6.409 0.670 266 HE3 TRP 38 HE3 TRP 38 3.245 2.885 -3.094 267 HZ2 TRP 38 HZ2 TRP 38 2.308 3.764 1.706 268 HZ3 TRP 38 HZ3 TRP 38 3.317 1.032 -1.450 269 HH2 TRP 38 HH2 TRP 38 2.850 1.467 0.946 270 H CYS 39 HN CYS 39 5.590 6.347 -1.911 271 HA CYS 39 HA CYS 39 6.805 3.672 -2.518 272 1HB CYS 39 HB1 CYS 39 8.052 6.192 -1.357 273 2HB CYS 39 HB2 CYS 39 8.879 4.639 -1.471 274 HG CYS 39 HG CYS 39 7.773 5.682 -4.147 275 H CYS 40 HN CYS 40 8.188 3.362 -0.121 276 HA CYS 40 HA CYS 40 6.000 2.759 1.727 277 1HB CYS 40 HB1 CYS 40 8.532 1.770 1.110 278 2HB CYS 40 HB2 CYS 40 8.760 2.501 2.698 279 HA PRO 41 HA PRO 41 6.135 6.398 4.157 280 1HB PRO 41 HB2 PRO 41 5.956 4.740 6.607 281 2HB PRO 41 HB1 PRO 41 4.811 5.935 5.976 282 1HG PRO 41 HG2 PRO 41 4.340 3.284 5.908 283 2HG PRO 41 HG1 PRO 41 3.726 4.398 4.679 284 1HD PRO 41 HD2 PRO 41 5.983 2.469 4.526 285 2HD PRO 41 HD1 PRO 41 4.851 2.997 3.263 286 H ASP 42 HN ASP 42 8.464 3.888 4.586 287 HA ASP 42 HA ASP 42 10.393 5.852 5.658 288 1HB ASP 42 HB2 ASP 42 8.880 4.523 7.449 289 2HB ASP 42 HB1 ASP 42 10.138 3.310 7.209 290 H CYS 43 HN CYS 43 10.317 4.363 3.178 291 HA CYS 43 HA CYS 43 12.856 2.829 3.507 292 1HB CYS 43 HB2 CYS 43 10.441 1.900 1.922 293 2HB CYS 43 HB1 CYS 43 11.942 1.011 2.148 294 H GLY 44 HN GLY 44 10.494 3.725 0.962 295 1HA GLY 44 HA1 GLY 44 10.945 5.321 -0.803 296 2HA GLY 44 HA2 GLY 44 12.669 5.167 -0.462 297 H ALA 45 HN ALA 45 10.664 2.317 -0.646 298 HA ALA 45 HA ALA 45 12.221 1.415 -3.007 299 1HB ALA 45 HB1 ALA 45 10.886 -0.741 -2.332 300 2HB ALA 45 HB2 ALA 45 10.469 0.177 -0.884 301 3HB ALA 45 HB3 ALA 45 12.159 -0.167 -1.254 302 H THR 46 HN THR 46 10.540 -0.287 -4.272 303 HA THR 46 HA THR 46 8.395 1.521 -5.323 304 HB THR 46 HB THR 46 8.688 0.174 -7.384 305 HG1 THR 46 HG1 THR 46 10.798 -1.134 -6.044 306 1HG2 THR 46 HG21 THR 46 11.293 0.621 -7.578 307 2HG2 THR 46 HG22 THR 46 11.041 1.451 -6.042 308 3HG2 THR 46 HG23 THR 46 10.157 1.966 -7.478 309 H LYS 47 HN LYS 47 6.723 -0.153 -6.564 310 HA LYS 47 HA LYS 47 5.190 -1.394 -4.490 311 1HB LYS 47 HB2 LYS 47 4.380 -0.512 -6.694 312 2HB LYS 47 HB1 LYS 47 5.185 -1.860 -7.496 313 1HG LYS 47 HG1 LYS 47 3.756 -3.219 -5.641 314 2HG LYS 47 HG2 LYS 47 2.696 -1.831 -5.879 315 1HD LYS 47 HD1 LYS 47 2.016 -3.469 -7.487 316 2HD LYS 47 HD2 LYS 47 2.919 -2.247 -8.383 317 1HE LYS 47 HE2 LYS 47 3.923 -4.208 -9.180 318 2HE LYS 47 HE1 LYS 47 4.977 -3.847 -7.800 319 1HZ LYS 47 HZ1 LYS 47 3.727 -5.289 -6.418 320 2HZ LYS 47 HZ2 LYS 47 4.026 -6.162 -7.844 321 3HZ LYS 47 HZ3 LYS 47 2.499 -5.468 -7.578 322 H GLU 48 HN GLU 48 7.934 -2.513 -6.285 323 HA GLU 48 HA GLU 48 7.508 -5.299 -6.433 324 1HB GLU 48 HB2 GLU 48 9.802 -3.405 -6.201 325 2HB GLU 48 HB1 GLU 48 10.156 -5.104 -5.889 326 1HG GLU 48 HG2 GLU 48 9.178 -5.722 -8.057 327 2HG GLU 48 HG1 GLU 48 8.770 -4.035 -8.368 328 H ASP 49 HN ASP 49 8.593 -3.309 -3.692 329 HA ASP 49 HA ASP 49 9.050 -5.591 -1.932 330 1HB ASP 49 HB1 ASP 49 8.717 -2.603 -1.466 331 2HB ASP 49 HB2 ASP 49 9.310 -3.746 -0.262 332 H TYR 50 HN TYR 50 6.250 -3.880 -2.978 333 HA TYR 50 HA TYR 50 4.715 -4.578 -0.528 334 1HB TYR 50 HB1 TYR 50 4.589 -2.659 -2.785 335 2HB TYR 50 HB2 TYR 50 3.027 -3.274 -2.248 336 HD1 TYR 50 HD1 TYR 50 5.859 -1.145 -1.448 337 HD2 TYR 50 HD2 TYR 50 2.359 -3.039 0.166 338 HE1 TYR 50 HE1 TYR 50 5.946 0.367 0.516 339 HE2 TYR 50 HE2 TYR 50 2.446 -1.527 2.130 340 HH TYR 50 HH TYR 50 4.697 -0.104 3.254 341 H VAL 51 HN VAL 51 3.187 -6.193 -0.545 342 HA VAL 51 HA VAL 51 2.453 -7.421 -3.180 343 HB VAL 51 HB VAL 51 3.240 -8.785 -0.577 344 1HG1 VAL 51 HG21 VAL 51 1.412 -9.801 -2.210 345 2HG1 VAL 51 HG22 VAL 51 2.668 -10.829 -1.519 346 3HG1 VAL 51 HG23 VAL 51 2.827 -10.228 -3.170 347 1HG2 VAL 51 HG11 VAL 51 5.088 -7.779 -1.981 348 2HG2 VAL 51 HG12 VAL 51 4.595 -8.858 -3.286 349 3HG2 VAL 51 HG13 VAL 51 5.203 -9.526 -1.771 350 H LEU 52 HN LEU 52 0.296 -8.276 -3.230 351 HA LEU 52 HA LEU 52 -1.653 -6.972 -1.585 352 1HB LEU 52 HB2 LEU 52 -1.670 -8.143 -3.959 353 2HB LEU 52 HB1 LEU 52 -2.166 -9.549 -3.019 354 HG LEU 52 HG LEU 52 -3.533 -6.995 -2.368 355 1HD1 LEU 52 HD21 LEU 52 -3.242 -7.644 -5.054 356 2HD1 LEU 52 HD22 LEU 52 -4.492 -6.607 -4.370 357 3HD1 LEU 52 HD23 LEU 52 -4.815 -8.321 -4.630 358 1HD2 LEU 52 HD11 LEU 52 -5.466 -8.514 -2.203 359 2HD2 LEU 52 HD12 LEU 52 -4.092 -9.131 -1.282 360 3HD2 LEU 52 HD13 LEU 52 -4.486 -9.832 -2.852 361 H TYR 53 HN TYR 53 -2.112 -7.456 0.516 362 HA TYR 53 HA TYR 53 -1.150 -9.892 1.784 363 1HB TYR 53 HB2 TYR 53 -1.435 -7.496 2.714 364 2HB TYR 53 HB1 TYR 53 -3.149 -7.883 2.855 365 HD1 TYR 53 HD1 TYR 53 -3.964 -9.299 4.599 366 HD2 TYR 53 HD2 TYR 53 0.262 -8.895 3.941 367 HE1 TYR 53 HE1 TYR 53 -3.519 -10.488 6.728 368 HE2 TYR 53 HE2 TYR 53 0.706 -10.084 6.072 369 HH TYR 53 HH TYR 53 -0.302 -11.499 7.631 370 H GLU 54 HN GLU 54 -2.225 -11.818 1.598 371 HA GLU 54 HA GLU 54 -5.106 -11.974 2.077 372 1HB GLU 54 HB2 GLU 54 -5.556 -12.933 -0.205 373 2HB GLU 54 HB1 GLU 54 -5.049 -11.246 -0.263 374 1HG GLU 54 HG1 GLU 54 -3.359 -11.839 -1.624 375 2HG GLU 54 HG2 GLU 54 -2.681 -12.806 -0.315 376 H GLU 55 HN GLU 55 -3.761 -13.298 3.731 377 HA GLU 55 HA GLU 55 -2.467 -15.742 2.926 378 1HB GLU 55 HB2 GLU 55 -2.390 -14.350 5.125 379 2HB GLU 55 HB1 GLU 55 -3.854 -15.232 5.565 380 1HG GLU 55 HG2 GLU 55 -2.727 -17.186 5.895 381 2HG GLU 55 HG1 GLU 55 -1.656 -16.912 4.521 382 H LYS 56 HN LYS 56 -3.636 -17.262 1.786 383 HA LYS 56 HA LYS 56 -5.368 -18.779 1.256 384 1HB LYS 56 HB2 LYS 56 -4.620 -18.996 3.888 385 2HB LYS 56 HB1 LYS 56 -6.356 -18.726 4.051 386 1HG LYS 56 HG1 LYS 56 -6.868 -20.765 3.192 387 2HG LYS 56 HG2 LYS 56 -5.646 -20.635 1.925 388 1HD LYS 56 HD2 LYS 56 -3.936 -21.451 3.321 389 2HD LYS 56 HD1 LYS 56 -4.836 -21.084 4.793 390 1HE LYS 56 HE2 LYS 56 -6.065 -23.030 2.877 391 2HE LYS 56 HE1 LYS 56 -4.698 -23.586 3.862 392 1HZ LYS 56 HZ1 LYS 56 -6.894 -23.813 4.984 393 2HZ LYS 56 HZ2 LYS 56 -7.054 -22.122 4.938 394 3HZ LYS 56 HZ3 LYS 56 -5.799 -22.833 5.835 Start of MODEL 4 1 H ALA 1 HT1 ALA 1 -13.292 -4.613 -4.151 2 HA ALA 1 HA ALA 1 -14.321 -3.384 -1.650 3 1HB ALA 1 HB1 ALA 1 -14.509 -5.513 -0.892 4 2HB ALA 1 HB2 ALA 1 -12.782 -5.726 -1.179 5 3HB ALA 1 HB3 ALA 1 -13.943 -6.143 -2.439 6 H TYR 2 HN TYR 2 -12.596 -2.551 -0.384 7 HA TYR 2 HA TYR 2 -10.255 -1.642 -1.781 8 1HB TYR 2 HB2 TYR 2 -11.097 -1.817 1.129 9 2HB TYR 2 HB1 TYR 2 -9.601 -1.030 0.626 10 HD1 TYR 2 HD1 TYR 2 -9.840 0.738 -1.316 11 HD2 TYR 2 HD2 TYR 2 -13.074 -0.574 1.189 12 HE1 TYR 2 HE1 TYR 2 -11.115 2.790 -1.885 13 HE2 TYR 2 HE2 TYR 2 -14.347 1.477 0.621 14 HH TYR 2 HH TYR 2 -12.968 4.165 -0.788 15 H LEU 3 HN LEU 3 -8.176 -2.462 -1.817 16 HA LEU 3 HA LEU 3 -7.834 -5.251 -0.831 17 1HB LEU 3 HB1 LEU 3 -6.897 -3.545 -3.037 18 2HB LEU 3 HB2 LEU 3 -5.608 -4.506 -2.317 19 HG LEU 3 HG LEU 3 -7.166 -6.512 -2.513 20 1HD1 LEU 3 HD11 LEU 3 -8.720 -4.407 -4.008 21 2HD1 LEU 3 HD12 LEU 3 -9.305 -5.576 -2.825 22 3HD1 LEU 3 HD13 LEU 3 -8.866 -6.108 -4.448 23 1HD2 LEU 3 HD21 LEU 3 -6.907 -5.997 -5.285 24 2HD2 LEU 3 HD22 LEU 3 -5.789 -6.891 -4.255 25 3HD2 LEU 3 HD23 LEU 3 -5.571 -5.157 -4.498 26 H LYS 4 HN LYS 4 -5.548 -5.752 -0.006 27 HA LYS 4 HA LYS 4 -4.409 -3.473 1.569 28 1HB LYS 4 HB1 LYS 4 -5.299 -6.232 2.448 29 2HB LYS 4 HB2 LYS 4 -4.178 -5.271 3.412 30 1HG LYS 4 HG2 LYS 4 -5.805 -3.472 3.599 31 2HG LYS 4 HG1 LYS 4 -6.906 -4.306 2.502 32 1HD LYS 4 HD1 LYS 4 -7.696 -5.634 4.155 33 2HD LYS 4 HD2 LYS 4 -6.073 -5.987 4.748 34 1HE LYS 4 HE1 LYS 4 -6.611 -4.679 6.535 35 2HE LYS 4 HE2 LYS 4 -6.467 -3.301 5.426 36 1HZ LYS 4 HZ1 LYS 4 -8.801 -3.821 4.722 37 2HZ LYS 4 HZ2 LYS 4 -8.658 -3.247 6.315 38 3HZ LYS 4 HZ3 LYS 4 -8.896 -4.904 6.027 39 H TRP 5 HN TRP 5 -2.139 -3.646 1.925 40 HA TRP 5 HA TRP 5 -0.770 -5.920 0.518 41 1HB TRP 5 HB2 TRP 5 -0.016 -2.972 0.547 42 2HB TRP 5 HB1 TRP 5 0.795 -4.242 -0.369 43 HD1 TRP 5 HD1 TRP 5 -2.609 -2.451 -0.158 44 HE1 TRP 5 HE1 TRP 5 -3.734 -2.579 -2.471 45 HE3 TRP 5 HE3 TRP 5 0.753 -5.409 -2.602 46 HZ2 TRP 5 HZ2 TRP 5 -3.269 -3.784 -5.028 47 HZ3 TRP 5 HZ3 TRP 5 0.390 -6.033 -4.975 48 HH2 TRP 5 HH2 TRP 5 -1.613 -5.223 -6.189 49 H ILE 6 HN ILE 6 1.704 -5.742 1.135 50 HA ILE 6 HA ILE 6 2.223 -4.751 3.850 51 HB ILE 6 HB ILE 6 1.161 -6.837 4.415 52 1HG1 ILE 6 HG12 ILE 6 2.934 -8.116 5.452 53 2HG1 ILE 6 HG11 ILE 6 4.123 -7.484 4.316 54 1HG2 ILE 6 HG21 ILE 6 2.429 -8.941 3.242 55 2HG2 ILE 6 HG22 ILE 6 2.514 -7.751 1.942 56 3HG2 ILE 6 HG23 ILE 6 0.949 -8.218 2.608 57 1HD1 ILE 6 HD11 ILE 6 2.784 -5.283 5.601 58 2HD1 ILE 6 HD12 ILE 6 4.494 -5.710 5.649 59 3HD1 ILE 6 HD13 ILE 6 3.378 -6.397 6.830 60 H CYS 7 HN CYS 7 4.241 -3.901 3.669 61 HA CYS 7 HA CYS 7 6.026 -4.480 1.487 62 1HB CYS 7 HB2 CYS 7 5.800 -2.379 2.919 63 2HB CYS 7 HB1 CYS 7 6.656 -3.252 4.191 64 H ILE 8 HN ILE 8 6.575 -6.723 1.460 65 HA ILE 8 HA ILE 8 7.281 -8.338 3.655 66 HB ILE 8 HB ILE 8 6.894 -9.169 1.398 67 1HG1 ILE 8 HG12 ILE 8 9.734 -9.860 1.589 68 2HG1 ILE 8 HG11 ILE 8 8.847 -10.075 3.095 69 1HG2 ILE 8 HG21 ILE 8 9.234 -8.696 0.017 70 2HG2 ILE 8 HG22 ILE 8 8.921 -7.160 0.825 71 3HG2 ILE 8 HG23 ILE 8 7.704 -7.857 -0.241 72 1HD1 ILE 8 HD11 ILE 8 8.913 -12.026 1.325 73 2HD1 ILE 8 HD12 ILE 8 7.664 -11.075 0.520 74 3HD1 ILE 8 HD13 ILE 8 7.404 -11.660 2.164 75 H THR 9 HN THR 9 9.036 -5.729 2.202 76 HA THR 9 HA THR 9 11.665 -6.529 3.187 77 HB THR 9 HB THR 9 10.452 -3.984 2.050 78 HG1 THR 9 HG1 THR 9 10.588 -5.323 0.410 79 1HG2 THR 9 HG21 THR 9 12.971 -3.504 1.599 80 2HG2 THR 9 HG22 THR 9 13.259 -4.656 2.904 81 3HG2 THR 9 HG23 THR 9 12.332 -3.188 3.214 82 H CYS 10 HN CYS 10 8.969 -4.578 4.354 83 HA CYS 10 HA CYS 10 10.592 -3.829 6.758 84 1HB CYS 10 HB1 CYS 10 8.432 -2.521 5.164 85 2HB CYS 10 HB2 CYS 10 8.668 -2.048 6.842 86 H GLY 11 HN GLY 11 7.291 -4.715 5.708 87 1HA GLY 11 HA2 GLY 11 6.076 -6.478 6.932 88 2HA GLY 11 HA1 GLY 11 6.889 -5.943 8.402 89 H HIS 12 HN HIS 12 5.774 -3.473 6.245 90 HA HIS 12 HA HIS 12 3.686 -2.721 8.236 91 1HB HIS 12 HB1 HIS 12 5.433 -1.086 7.650 92 2HB HIS 12 HB2 HIS 12 5.039 -1.252 5.939 93 HD1 HIS 12 HD1 HIS 12 2.825 -0.696 9.008 94 HD2 HIS 12 HD2 HIS 12 3.577 0.984 5.267 95 HE1 HIS 12 HE1 HIS 12 1.200 1.231 8.747 96 H ILE 13 HN ILE 13 1.530 -2.803 7.683 97 HA ILE 13 HA ILE 13 0.854 -3.831 4.984 98 HB ILE 13 HB ILE 13 -0.603 -3.565 7.633 99 1HG1 ILE 13 HG11 ILE 13 -0.408 -6.182 6.350 100 2HG1 ILE 13 HG12 ILE 13 1.174 -5.465 6.650 101 1HG2 ILE 13 HG21 ILE 13 -2.468 -4.797 6.580 102 2HG2 ILE 13 HG22 ILE 13 -1.644 -4.714 5.022 103 3HG2 ILE 13 HG23 ILE 13 -2.222 -3.237 5.794 104 1HD1 ILE 13 HD11 ILE 13 0.700 -5.204 8.991 105 2HD1 ILE 13 HD12 ILE 13 0.220 -6.848 8.566 106 3HD1 ILE 13 HD13 ILE 13 -1.004 -5.592 8.749 107 H TYR 14 HN TYR 14 -0.401 -2.688 3.532 108 HA TYR 14 HA TYR 14 -1.030 0.154 4.242 109 1HB TYR 14 HB1 TYR 14 0.546 -0.168 2.404 110 2HB TYR 14 HB2 TYR 14 -0.544 -1.311 1.620 111 HD1 TYR 14 HD1 TYR 14 -2.245 -0.557 0.149 112 HD2 TYR 14 HD2 TYR 14 -0.249 2.241 2.731 113 HE1 TYR 14 HE1 TYR 14 -3.368 1.323 -1.016 114 HE2 TYR 14 HE2 TYR 14 -1.372 4.119 1.565 115 HH TYR 14 HH TYR 14 -3.988 3.651 -0.577 116 H ASP 15 HN ASP 15 -3.114 0.936 3.889 117 HA ASP 15 HA ASP 15 -5.184 -1.096 3.107 118 1HB ASP 15 HB2 ASP 15 -4.913 -0.124 5.546 119 2HB ASP 15 HB1 ASP 15 -5.698 1.300 4.863 120 H GLU 16 HN GLU 16 -5.771 -0.538 1.024 121 HA GLU 16 HA GLU 16 -5.497 1.912 -0.288 122 1HB GLU 16 HB1 GLU 16 -7.660 -0.213 -0.497 123 2HB GLU 16 HB2 GLU 16 -7.351 1.009 -1.729 124 1HG GLU 16 HG2 GLU 16 -4.946 0.163 -1.782 125 2HG GLU 16 HG1 GLU 16 -5.496 -1.195 -0.801 126 H ALA 17 HN ALA 17 -7.944 0.957 2.047 127 HA ALA 17 HA ALA 17 -9.559 3.388 1.520 128 1HB ALA 17 HB1 ALA 17 -10.592 2.032 3.715 129 2HB ALA 17 HB2 ALA 17 -9.845 0.744 2.769 130 3HB ALA 17 HB3 ALA 17 -11.079 1.771 2.040 131 H LEU 18 HN LEU 18 -6.729 3.050 3.002 132 HA LEU 18 HA LEU 18 -7.088 5.290 4.785 133 1HB LEU 18 HB1 LEU 18 -8.258 3.277 5.897 134 2HB LEU 18 HB2 LEU 18 -6.643 2.602 6.115 135 HG LEU 18 HG LEU 18 -6.452 5.270 6.985 136 1HD1 LEU 18 HD11 LEU 18 -8.232 5.484 8.635 137 2HD1 LEU 18 HD12 LEU 18 -8.895 3.917 8.169 138 3HD1 LEU 18 HD13 LEU 18 -8.955 5.271 7.040 139 1HD2 LEU 18 HD21 LEU 18 -5.204 3.502 8.005 140 2HD2 LEU 18 HD22 LEU 18 -6.672 2.611 8.412 141 3HD2 LEU 18 HD23 LEU 18 -6.289 4.112 9.255 142 H GLY 19 HN GLY 19 -5.175 5.407 3.086 143 1HA GLY 19 HA1 GLY 19 -2.772 3.913 3.564 144 2HA GLY 19 HA2 GLY 19 -2.848 5.460 2.722 145 H ASP 20 HN ASP 20 -1.279 6.660 3.725 146 HA ASP 20 HA ASP 20 -1.034 6.593 6.682 147 1HB ASP 20 HB2 ASP 20 0.924 6.405 5.121 148 2HB ASP 20 HB1 ASP 20 0.565 8.026 4.527 149 H GLU 21 HN GLU 21 -0.836 8.746 7.806 150 HA GLU 21 HA GLU 21 -2.963 10.580 6.855 151 1HB GLU 21 HB2 GLU 21 -2.496 9.527 9.248 152 2HB GLU 21 HB1 GLU 21 -1.382 10.886 9.397 153 1HG GLU 21 HG2 GLU 21 -3.489 11.636 10.271 154 2HG GLU 21 HG1 GLU 21 -3.308 12.390 8.687 155 H ALA 22 HN ALA 22 0.510 10.418 7.123 156 HA ALA 22 HA ALA 22 0.868 13.337 6.895 157 1HB ALA 22 HB1 ALA 22 2.434 10.910 7.464 158 2HB ALA 22 HB2 ALA 22 2.671 12.555 8.054 159 3HB ALA 22 HB3 ALA 22 3.306 12.083 6.477 160 H GLU 23 HN GLU 23 1.150 10.445 4.843 161 HA GLU 23 HA GLU 23 2.352 11.712 2.574 162 1HB GLU 23 HB2 GLU 23 0.561 9.297 2.975 163 2HB GLU 23 HB1 GLU 23 1.355 9.668 1.449 164 1HG GLU 23 HG1 GLU 23 2.977 9.559 3.974 165 2HG GLU 23 HG2 GLU 23 2.540 8.061 3.152 166 H GLY 24 HN GLY 24 -0.956 11.573 3.753 167 1HA GLY 24 HA2 GLY 24 -2.671 13.119 3.082 168 2HA GLY 24 HA1 GLY 24 -1.745 13.473 1.624 169 H PHE 25 HN PHE 25 -2.304 10.165 2.643 170 HA PHE 25 HA PHE 25 -3.534 9.516 0.097 171 1HB PHE 25 HB2 PHE 25 -2.458 8.216 2.465 172 2HB PHE 25 HB1 PHE 25 -3.978 7.459 1.997 173 HD1 PHE 25 HD1 PHE 25 -3.853 7.926 -0.986 174 HD2 PHE 25 HD2 PHE 25 -0.903 6.554 1.810 175 HE1 PHE 25 HE1 PHE 25 -2.692 6.706 -2.808 176 HE2 PHE 25 HE2 PHE 25 0.248 5.332 -0.003 177 HZ PHE 25 HZ PHE 25 -0.637 5.410 -2.315 178 H THR 26 HN THR 26 -5.424 10.989 0.167 179 HA THR 26 HA THR 26 -7.420 11.120 2.105 180 HB THR 26 HB THR 26 -7.179 12.401 -0.033 181 HG1 THR 26 HG1 THR 26 -9.703 11.134 0.174 182 1HG2 THR 26 HG21 THR 26 -6.774 10.280 -1.385 183 2HG2 THR 26 HG22 THR 26 -7.864 11.458 -2.118 184 3HG2 THR 26 HG23 THR 26 -8.517 10.022 -1.329 185 HA PRO 27 HA PRO 27 -9.099 7.069 2.488 186 1HB PRO 27 HB2 PRO 27 -11.762 8.391 2.685 187 2HB PRO 27 HB1 PRO 27 -10.954 7.319 3.842 188 1HG PRO 27 HG1 PRO 27 -11.179 9.963 4.247 189 2HG PRO 27 HG2 PRO 27 -9.786 9.032 4.810 190 1HD PRO 27 HD1 PRO 27 -10.002 10.918 2.526 191 2HD PRO 27 HD2 PRO 27 -8.610 10.549 3.566 192 H GLY 28 HN GLY 28 -9.051 6.052 0.492 193 1HA GLY 28 HA2 GLY 28 -10.884 5.164 -1.094 194 2HA GLY 28 HA1 GLY 28 -11.111 6.862 -1.515 195 H THR 29 HN THR 29 -8.088 5.049 -0.954 196 HA THR 29 HA THR 29 -7.354 5.596 -3.811 197 HB THR 29 HB THR 29 -5.369 5.670 -1.544 198 HG1 THR 29 HG1 THR 29 -6.690 7.155 -0.762 199 1HG2 THR 29 HG21 THR 29 -4.378 5.823 -3.696 200 2HG2 THR 29 HG22 THR 29 -4.456 7.490 -3.123 201 3HG2 THR 29 HG23 THR 29 -5.641 6.901 -4.290 202 H ARG 30 HN ARG 30 -6.873 3.697 -4.824 203 HA ARG 30 HA ARG 30 -6.078 1.343 -3.163 204 1HB ARG 30 HB1 ARG 30 -6.853 0.073 -5.130 205 2HB ARG 30 HB2 ARG 30 -8.086 1.236 -4.645 206 1HG ARG 30 HG2 ARG 30 -6.472 2.669 -6.413 207 2HG ARG 30 HG1 ARG 30 -6.582 1.067 -7.141 208 1HD ARG 30 HD1 ARG 30 -8.991 2.651 -6.178 209 2HD ARG 30 HD2 ARG 30 -8.449 2.586 -7.866 210 HE ARG 30 HE ARG 30 -8.698 -0.063 -6.682 211 1HH1 ARG 30 HH21 ARG 30 -10.432 2.550 -8.192 212 2HH1 ARG 30 HH22 ARG 30 -11.695 1.522 -8.774 213 1HH2 ARG 30 HH11 ARG 30 -10.349 -1.378 -7.450 214 2HH2 ARG 30 HH12 ARG 30 -11.650 -0.684 -8.358 215 H PHE 31 HN PHE 31 -4.222 0.100 -3.771 216 HA PHE 31 HA PHE 31 -1.869 1.401 -4.508 217 1HB PHE 31 HB1 PHE 31 -2.793 -1.208 -3.958 218 2HB PHE 31 HB2 PHE 31 -1.953 -1.331 -5.504 219 HD1 PHE 31 HD1 PHE 31 -1.490 0.504 -2.256 220 HD2 PHE 31 HD2 PHE 31 0.308 -1.850 -5.366 221 HE1 PHE 31 HE1 PHE 31 0.689 0.611 -1.077 222 HE2 PHE 31 HE2 PHE 31 2.487 -1.743 -4.188 223 HZ PHE 31 HZ PHE 31 2.677 -0.513 -2.043 224 H GLU 32 HN GLU 32 -4.108 -0.345 -6.692 225 HA GLU 32 HA GLU 32 -2.666 -0.132 -9.099 226 1HB GLU 32 HB1 GLU 32 -4.733 -1.405 -8.795 227 2HB GLU 32 HB2 GLU 32 -5.642 0.082 -8.528 228 1HG GLU 32 HG1 GLU 32 -4.107 0.158 -11.012 229 2HG GLU 32 HG2 GLU 32 -5.253 -1.182 -10.982 230 H ASP 33 HN ASP 33 -5.022 2.197 -7.735 231 HA ASP 33 HA ASP 33 -4.718 4.164 -9.806 232 1HB ASP 33 HB1 ASP 33 -6.610 4.012 -8.217 233 2HB ASP 33 HB2 ASP 33 -5.522 4.383 -6.880 234 H ILE 34 HN ILE 34 -2.795 3.339 -7.020 235 HA ILE 34 HA ILE 34 -1.378 5.896 -6.864 236 HB ILE 34 HB ILE 34 -1.015 3.118 -5.691 237 1HG1 ILE 34 HG12 ILE 34 -1.703 5.638 -4.203 238 2HG1 ILE 34 HG11 ILE 34 -2.960 4.766 -5.079 239 1HG2 ILE 34 HG21 ILE 34 0.690 4.013 -4.240 240 2HG2 ILE 34 HG22 ILE 34 0.450 5.641 -4.875 241 3HG2 ILE 34 HG23 ILE 34 1.161 4.391 -5.897 242 1HD1 ILE 34 HD11 ILE 34 -2.803 2.893 -3.707 243 2HD1 ILE 34 HD12 ILE 34 -2.446 4.174 -2.553 244 3HD1 ILE 34 HD13 ILE 34 -1.132 3.233 -3.259 245 HA PRO 35 HA PRO 35 1.140 4.540 -10.370 246 1HB PRO 35 HB1 PRO 35 2.498 6.931 -10.633 247 2HB PRO 35 HB2 PRO 35 0.898 6.628 -11.334 248 1HG PRO 35 HG1 PRO 35 1.639 8.090 -8.850 249 2HG PRO 35 HG2 PRO 35 0.379 8.450 -10.037 250 1HD PRO 35 HD1 PRO 35 -0.123 7.299 -7.624 251 2HD PRO 35 HD2 PRO 35 -1.121 7.015 -9.065 252 H ASP 36 HN ASP 36 3.738 5.233 -10.707 253 HA ASP 36 HA ASP 36 5.105 3.851 -8.558 254 1HB ASP 36 HB1 ASP 36 5.579 4.025 -11.116 255 2HB ASP 36 HB2 ASP 36 6.377 5.546 -10.715 256 H ASP 37 HN ASP 37 4.294 7.174 -9.117 257 HA ASP 37 HA ASP 37 6.394 8.600 -7.914 258 1HB ASP 37 HB2 ASP 37 4.242 9.420 -9.008 259 2HB ASP 37 HB1 ASP 37 3.420 9.057 -7.489 260 H TRP 38 HN TRP 38 3.886 6.623 -6.411 261 HA TRP 38 HA TRP 38 4.565 7.475 -3.683 262 1HB TRP 38 HB1 TRP 38 2.282 6.867 -4.295 263 2HB TRP 38 HB2 TRP 38 2.819 5.300 -4.898 264 HD1 TRP 38 HD1 TRP 38 2.196 7.222 -1.663 265 HE1 TRP 38 HE1 TRP 38 2.152 5.553 0.301 266 HE3 TRP 38 HE3 TRP 38 3.673 2.978 -4.084 267 HZ2 TRP 38 HZ2 TRP 38 2.675 2.781 0.780 268 HZ3 TRP 38 HZ3 TRP 38 3.890 0.838 -2.853 269 HH2 TRP 38 HH2 TRP 38 3.392 0.735 -0.426 270 H CYS 39 HN CYS 39 5.373 5.893 -2.072 271 HA CYS 39 HA CYS 39 6.637 3.419 -3.012 272 1HB CYS 39 HB2 CYS 39 8.935 4.247 -2.465 273 2HB CYS 39 HB1 CYS 39 8.204 5.145 -3.788 274 HG CYS 39 HG CYS 39 8.485 6.241 -0.877 275 H CYS 40 HN CYS 40 8.516 3.184 -0.925 276 HA CYS 40 HA CYS 40 6.704 2.714 1.349 277 1HB CYS 40 HB1 CYS 40 8.969 1.519 0.217 278 2HB CYS 40 HB2 CYS 40 9.555 2.193 1.738 279 HA PRO 41 HA PRO 41 7.919 6.226 3.677 280 1HB PRO 41 HB1 PRO 41 8.001 4.732 6.190 281 2HB PRO 41 HB2 PRO 41 6.778 5.882 5.628 282 1HG PRO 41 HG2 PRO 41 6.358 3.198 5.884 283 2HG PRO 41 HG1 PRO 41 5.458 4.246 4.780 284 1HD PRO 41 HD2 PRO 41 7.662 2.331 4.200 285 2HD PRO 41 HD1 PRO 41 6.245 2.766 3.219 286 H ASP 42 HN ASP 42 9.817 3.292 4.014 287 HA ASP 42 HA ASP 42 12.183 4.991 4.699 288 1HB ASP 42 HB2 ASP 42 11.109 2.507 6.057 289 2HB ASP 42 HB1 ASP 42 12.787 3.014 6.253 290 H CYS 43 HN CYS 43 11.277 3.628 2.163 291 HA CYS 43 HA CYS 43 13.789 2.074 1.723 292 1HB CYS 43 HB2 CYS 43 10.999 1.219 0.882 293 2HB CYS 43 HB1 CYS 43 12.486 0.321 0.593 294 H GLY 44 HN GLY 44 10.883 3.478 0.184 295 1HA GLY 44 HA1 GLY 44 10.791 4.936 -1.679 296 2HA GLY 44 HA2 GLY 44 12.550 4.860 -1.783 297 H ALA 45 HN ALA 45 10.583 1.961 -1.650 298 HA ALA 45 HA ALA 45 11.525 1.275 -4.397 299 1HB ALA 45 HB1 ALA 45 10.193 -0.510 -2.340 300 2HB ALA 45 HB2 ALA 45 11.912 -0.126 -2.259 301 3HB ALA 45 HB3 ALA 45 11.266 -0.987 -3.657 302 H THR 46 HN THR 46 9.697 -0.510 -5.258 303 HA THR 46 HA THR 46 7.178 1.101 -5.451 304 HB THR 46 HB THR 46 6.960 0.017 -7.639 305 HG1 THR 46 HG1 THR 46 8.105 -1.692 -8.158 306 1HG2 THR 46 HG21 THR 46 8.831 0.998 -8.742 307 2HG2 THR 46 HG22 THR 46 9.871 0.770 -7.336 308 3HG2 THR 46 HG23 THR 46 8.580 1.971 -7.292 309 H LYS 47 HN LYS 47 5.605 -0.959 -6.569 310 HA LYS 47 HA LYS 47 4.537 -2.263 -4.287 311 1HB LYS 47 HB2 LYS 47 3.363 -1.857 -6.427 312 2HB LYS 47 HB1 LYS 47 4.445 -2.986 -7.242 313 1HG LYS 47 HG2 LYS 47 3.630 -4.691 -5.445 314 2HG LYS 47 HG1 LYS 47 2.297 -3.562 -5.210 315 1HD LYS 47 HD2 LYS 47 3.090 -4.665 -7.917 316 2HD LYS 47 HD1 LYS 47 1.843 -5.390 -6.903 317 1HE LYS 47 HE1 LYS 47 0.693 -3.119 -6.873 318 2HE LYS 47 HE2 LYS 47 1.845 -2.610 -8.123 319 1HZ LYS 47 HZ1 LYS 47 -0.329 -3.668 -8.902 320 2HZ LYS 47 HZ2 LYS 47 0.316 -5.136 -8.343 321 3HZ LYS 47 HZ3 LYS 47 1.109 -4.274 -9.572 322 H GLU 48 HN GLU 48 7.299 -3.063 -6.240 323 HA GLU 48 HA GLU 48 7.492 -5.848 -6.087 324 1HB GLU 48 HB1 GLU 48 9.583 -3.677 -5.689 325 2HB GLU 48 HB2 GLU 48 9.970 -5.364 -6.023 326 1HG GLU 48 HG2 GLU 48 8.066 -3.902 -7.830 327 2HG GLU 48 HG1 GLU 48 9.802 -3.648 -8.013 328 H ASP 49 HN ASP 49 8.520 -3.498 -3.580 329 HA ASP 49 HA ASP 49 9.259 -5.551 -1.662 330 1HB ASP 49 HB2 ASP 49 8.900 -2.577 -1.781 331 2HB ASP 49 HB1 ASP 49 8.967 -3.330 -0.188 332 H TYR 50 HN TYR 50 6.274 -4.015 -2.583 333 HA TYR 50 HA TYR 50 4.908 -4.792 -0.073 334 1HB TYR 50 HB1 TYR 50 4.443 -3.080 -2.482 335 2HB TYR 50 HB2 TYR 50 3.026 -3.681 -1.630 336 HD1 TYR 50 HD1 TYR 50 5.820 -1.371 -1.566 337 HD2 TYR 50 HD2 TYR 50 2.750 -3.186 0.830 338 HE1 TYR 50 HE1 TYR 50 6.146 0.370 0.169 339 HE2 TYR 50 HE2 TYR 50 3.078 -1.443 2.568 340 HH TYR 50 HH TYR 50 4.847 1.400 2.006 341 H VAL 51 HN VAL 51 3.501 -6.513 0.039 342 HA VAL 51 HA VAL 51 2.894 -7.981 -2.508 343 HB VAL 51 HB VAL 51 3.579 -8.999 0.275 344 1HG1 VAL 51 HG21 VAL 51 2.634 -10.448 -2.211 345 2HG1 VAL 51 HG22 VAL 51 1.899 -10.473 -0.608 346 3HG1 VAL 51 HG23 VAL 51 3.452 -11.264 -0.879 347 1HG2 VAL 51 HG11 VAL 51 5.034 -8.665 -2.284 348 2HG2 VAL 51 HG12 VAL 51 5.282 -10.208 -1.467 349 3HG2 VAL 51 HG13 VAL 51 5.655 -8.699 -0.635 350 H LEU 52 HN LEU 52 0.821 -9.167 -2.434 351 HA LEU 52 HA LEU 52 -1.292 -7.634 -1.175 352 1HB LEU 52 HB2 LEU 52 -1.076 -9.142 -3.373 353 2HB LEU 52 HB1 LEU 52 -1.654 -10.397 -2.286 354 HG LEU 52 HG LEU 52 -3.550 -9.320 -3.413 355 1HD1 LEU 52 HD11 LEU 52 -3.503 -8.269 -0.586 356 2HD1 LEU 52 HD12 LEU 52 -3.594 -9.997 -0.925 357 3HD1 LEU 52 HD13 LEU 52 -4.871 -8.919 -1.489 358 1HD2 LEU 52 HD21 LEU 52 -3.368 -6.737 -2.093 359 2HD2 LEU 52 HD22 LEU 52 -3.616 -7.100 -3.801 360 3HD2 LEU 52 HD23 LEU 52 -1.980 -7.011 -3.146 361 H TYR 53 HN TYR 53 -1.212 -7.771 1.072 362 HA TYR 53 HA TYR 53 -0.506 -9.965 2.676 363 1HB TYR 53 HB2 TYR 53 -1.076 -7.511 3.242 364 2HB TYR 53 HB1 TYR 53 -2.760 -8.035 3.289 365 HD1 TYR 53 HD1 TYR 53 -3.635 -8.970 5.253 366 HD2 TYR 53 HD2 TYR 53 0.619 -8.902 4.662 367 HE1 TYR 53 HE1 TYR 53 -3.302 -9.839 7.551 368 HE2 TYR 53 HE2 TYR 53 0.952 -9.772 6.961 369 HH TYR 53 HH TYR 53 -0.555 -11.209 8.617 370 H GLU 54 HN GLU 54 -1.526 -11.865 3.230 371 HA GLU 54 HA GLU 54 -4.164 -12.431 1.971 372 1HB GLU 54 HB2 GLU 54 -2.195 -13.914 1.614 373 2HB GLU 54 HB1 GLU 54 -2.107 -14.196 3.353 374 1HG GLU 54 HG1 GLU 54 -3.488 -15.952 2.978 375 2HG GLU 54 HG2 GLU 54 -4.759 -14.748 2.763 376 H GLU 55 HN GLU 55 -5.821 -11.797 3.338 377 HA GLU 55 HA GLU 55 -5.560 -12.447 6.250 378 1HB GLU 55 HB2 GLU 55 -6.106 -10.087 4.980 379 2HB GLU 55 HB1 GLU 55 -7.739 -10.696 5.248 380 1HG GLU 55 HG1 GLU 55 -6.973 -11.146 7.671 381 2HG GLU 55 HG2 GLU 55 -5.601 -10.103 7.296 382 H LYS 56 HN LYS 56 -6.416 -14.541 6.384 383 HA LYS 56 HA LYS 56 -9.308 -14.815 5.972 384 1HB LYS 56 HB2 LYS 56 -8.346 -15.165 3.711 385 2HB LYS 56 HB1 LYS 56 -7.294 -16.425 4.356 386 1HG LYS 56 HG2 LYS 56 -8.969 -17.960 4.406 387 2HG LYS 56 HG1 LYS 56 -10.141 -16.792 5.015 388 1HD LYS 56 HD2 LYS 56 -10.519 -15.905 2.808 389 2HD LYS 56 HD1 LYS 56 -9.169 -16.827 2.147 390 1HE LYS 56 HE1 LYS 56 -11.357 -18.347 3.523 391 2HE LYS 56 HE2 LYS 56 -11.661 -17.727 1.890 392 1HZ LYS 56 HZ1 LYS 56 -9.388 -19.427 2.779 393 2HZ LYS 56 HZ2 LYS 56 -9.462 -18.675 1.257 394 3HZ LYS 56 HZ3 LYS 56 -10.612 -19.852 1.681 Start of MODEL 5 1 H ALA 1 HT1 ALA 1 -15.379 -4.189 1.160 2 HA ALA 1 HA ALA 1 -15.021 -3.225 -1.094 3 1HB ALA 1 HB1 ALA 1 -14.604 -1.392 1.296 4 2HB ALA 1 HB2 ALA 1 -16.147 -2.151 0.899 5 3HB ALA 1 HB3 ALA 1 -15.426 -0.986 -0.211 6 H TYR 2 HN TYR 2 -12.527 -2.290 1.310 7 HA TYR 2 HA TYR 2 -10.778 -1.397 -0.939 8 1HB TYR 2 HB2 TYR 2 -10.850 -0.951 2.062 9 2HB TYR 2 HB1 TYR 2 -9.515 -0.392 1.056 10 HD1 TYR 2 HD1 TYR 2 -10.707 0.565 -1.367 11 HD2 TYR 2 HD2 TYR 2 -12.205 0.860 2.647 12 HE1 TYR 2 HE1 TYR 2 -12.026 2.565 -2.008 13 HE2 TYR 2 HE2 TYR 2 -13.526 2.859 2.008 14 HH TYR 2 HH TYR 2 -13.062 4.733 -0.219 15 H LEU 3 HN LEU 3 -8.848 -2.432 -1.351 16 HA LEU 3 HA LEU 3 -8.394 -5.066 -0.150 17 1HB LEU 3 HB1 LEU 3 -7.427 -3.391 -2.403 18 2HB LEU 3 HB2 LEU 3 -6.254 -4.543 -1.765 19 HG LEU 3 HG LEU 3 -7.978 -6.345 -1.991 20 1HD1 LEU 3 HD11 LEU 3 -9.526 -4.140 -3.388 21 2HD1 LEU 3 HD12 LEU 3 -9.976 -4.921 -1.871 22 3HD1 LEU 3 HD13 LEU 3 -9.978 -5.844 -3.374 23 1HD2 LEU 3 HD21 LEU 3 -7.281 -6.755 -4.119 24 2HD2 LEU 3 HD22 LEU 3 -6.338 -5.279 -3.909 25 3HD2 LEU 3 HD23 LEU 3 -7.902 -5.218 -4.719 26 H LYS 4 HN LYS 4 -5.910 -5.509 0.322 27 HA LYS 4 HA LYS 4 -4.672 -3.274 1.849 28 1HB LYS 4 HB1 LYS 4 -5.484 -5.986 2.958 29 2HB LYS 4 HB2 LYS 4 -4.517 -4.801 3.835 30 1HG LYS 4 HG1 LYS 4 -6.401 -3.151 3.511 31 2HG LYS 4 HG2 LYS 4 -7.368 -4.475 2.860 32 1HD LYS 4 HD1 LYS 4 -6.760 -5.718 5.054 33 2HD LYS 4 HD2 LYS 4 -6.300 -4.127 5.659 34 1HE LYS 4 HE1 LYS 4 -8.520 -3.277 5.402 35 2HE LYS 4 HE2 LYS 4 -9.007 -4.654 4.396 36 1HZ LYS 4 HZ1 LYS 4 -9.674 -4.832 6.789 37 2HZ LYS 4 HZ2 LYS 4 -8.024 -4.917 7.190 38 3HZ LYS 4 HZ3 LYS 4 -8.729 -6.128 6.228 39 H TRP 5 HN TRP 5 -2.438 -3.400 1.811 40 HA TRP 5 HA TRP 5 -1.216 -5.865 0.596 41 1HB TRP 5 HB2 TRP 5 -0.310 -2.963 0.515 42 2HB TRP 5 HB1 TRP 5 0.427 -4.303 -0.359 43 HD1 TRP 5 HD1 TRP 5 -3.072 -2.659 -0.097 44 HE1 TRP 5 HE1 TRP 5 -4.116 -2.641 -2.438 45 HE3 TRP 5 HE3 TRP 5 0.591 -5.076 -2.702 46 HZ2 TRP 5 HZ2 TRP 5 -3.494 -3.551 -5.087 47 HZ3 TRP 5 HZ3 TRP 5 0.339 -5.490 -5.131 48 HH2 TRP 5 HH2 TRP 5 -1.696 -4.733 -6.325 49 H ILE 6 HN ILE 6 1.305 -5.724 1.150 50 HA ILE 6 HA ILE 6 1.859 -4.658 3.825 51 HB ILE 6 HB ILE 6 0.601 -6.839 4.056 52 1HG1 ILE 6 HG11 ILE 6 2.029 -5.871 5.836 53 2HG1 ILE 6 HG12 ILE 6 1.992 -7.630 5.879 54 1HG2 ILE 6 HG21 ILE 6 1.601 -8.895 3.492 55 2HG2 ILE 6 HG22 ILE 6 3.193 -8.165 3.287 56 3HG2 ILE 6 HG23 ILE 6 1.930 -7.875 2.091 57 1HD1 ILE 6 HD11 ILE 6 4.125 -7.199 4.230 58 2HD1 ILE 6 HD12 ILE 6 4.249 -7.446 5.968 59 3HD1 ILE 6 HD13 ILE 6 4.237 -5.809 5.309 60 H CYS 7 HN CYS 7 3.867 -3.807 3.586 61 HA CYS 7 HA CYS 7 5.661 -4.457 1.446 62 1HB CYS 7 HB2 CYS 7 5.424 -2.372 2.996 63 2HB CYS 7 HB1 CYS 7 6.440 -3.274 4.119 64 H ILE 8 HN ILE 8 6.020 -6.765 1.494 65 HA ILE 8 HA ILE 8 6.695 -8.368 3.700 66 HB ILE 8 HB ILE 8 7.887 -9.738 1.947 67 1HG1 ILE 8 HG11 ILE 8 7.080 -7.670 -0.070 68 2HG1 ILE 8 HG12 ILE 8 8.612 -7.477 0.781 69 1HG2 ILE 8 HG21 ILE 8 5.303 -8.573 0.891 70 2HG2 ILE 8 HG22 ILE 8 5.357 -9.666 2.273 71 3HG2 ILE 8 HG23 ILE 8 5.908 -10.217 0.691 72 1HD1 ILE 8 HD11 ILE 8 9.579 -9.204 -0.333 73 2HD1 ILE 8 HD12 ILE 8 8.260 -8.998 -1.486 74 3HD1 ILE 8 HD13 ILE 8 8.134 -10.209 -0.209 75 H THR 9 HN THR 9 8.599 -5.925 2.093 76 HA THR 9 HA THR 9 11.196 -6.769 3.062 77 HB THR 9 HB THR 9 10.014 -4.146 2.073 78 HG1 THR 9 HG1 THR 9 10.159 -5.275 0.312 79 1HG2 THR 9 HG21 THR 9 12.729 -4.040 1.604 80 2HG2 THR 9 HG22 THR 9 12.651 -4.778 3.204 81 3HG2 THR 9 HG23 THR 9 11.896 -3.210 2.918 82 H CYS 10 HN CYS 10 8.569 -4.802 4.359 83 HA CYS 10 HA CYS 10 10.244 -4.195 6.762 84 1HB CYS 10 HB2 CYS 10 8.023 -2.827 5.306 85 2HB CYS 10 HB1 CYS 10 8.317 -2.434 6.994 86 H GLY 11 HN GLY 11 6.886 -4.992 5.795 87 1HA GLY 11 HA2 GLY 11 5.791 -6.896 6.968 88 2HA GLY 11 HA1 GLY 11 6.596 -6.359 8.439 89 H HIS 12 HN HIS 12 5.535 -3.690 6.629 90 HA HIS 12 HA HIS 12 3.328 -3.234 8.555 91 1HB HIS 12 HB1 HIS 12 5.302 -1.704 7.170 92 2HB HIS 12 HB2 HIS 12 3.726 -1.139 6.617 93 HD1 HIS 12 HD1 HIS 12 5.297 -2.061 9.983 94 HD2 HIS 12 HD2 HIS 12 2.704 0.758 8.334 95 HE1 HIS 12 HE1 HIS 12 4.658 -0.488 11.863 96 H ILE 13 HN ILE 13 1.191 -3.361 7.957 97 HA ILE 13 HA ILE 13 0.584 -4.238 5.197 98 HB ILE 13 HB ILE 13 -0.990 -4.040 7.790 99 1HG1 ILE 13 HG12 ILE 13 -0.113 -6.500 6.263 100 2HG1 ILE 13 HG11 ILE 13 0.890 -5.759 7.509 101 1HG2 ILE 13 HG21 ILE 13 -2.584 -3.816 5.997 102 2HG2 ILE 13 HG22 ILE 13 -2.655 -5.492 6.543 103 3HG2 ILE 13 HG23 ILE 13 -1.792 -5.083 5.060 104 1HD1 ILE 13 HD11 ILE 13 -1.436 -7.472 7.810 105 2HD1 ILE 13 HD12 ILE 13 -1.671 -5.939 8.649 106 3HD1 ILE 13 HD13 ILE 13 -0.276 -6.948 9.030 107 H TYR 14 HN TYR 14 -0.146 -2.799 3.696 108 HA TYR 14 HA TYR 14 -0.917 -0.062 4.472 109 1HB TYR 14 HB1 TYR 14 0.492 -0.366 2.536 110 2HB TYR 14 HB2 TYR 14 -0.575 -1.603 1.874 111 HD1 TYR 14 HD1 TYR 14 -0.502 2.010 2.847 112 HD2 TYR 14 HD2 TYR 14 -2.276 -1.003 0.347 113 HE1 TYR 14 HE1 TYR 14 -1.765 3.764 1.626 114 HE2 TYR 14 HE2 TYR 14 -3.536 0.748 -0.870 115 HH TYR 14 HH TYR 14 -4.354 3.288 -0.105 116 H ASP 15 HN ASP 15 -3.018 0.604 4.690 117 HA ASP 15 HA ASP 15 -5.188 -1.291 3.867 118 1HB ASP 15 HB2 ASP 15 -4.766 -0.491 6.303 119 2HB ASP 15 HB1 ASP 15 -5.394 1.064 5.760 120 H GLU 16 HN GLU 16 -6.002 -0.656 1.886 121 HA GLU 16 HA GLU 16 -5.698 1.825 0.612 122 1HB GLU 16 HB2 GLU 16 -7.586 -0.494 0.506 123 2HB GLU 16 HB1 GLU 16 -8.026 0.949 -0.402 124 1HG GLU 16 HG2 GLU 16 -6.749 -0.171 -1.986 125 2HG GLU 16 HG1 GLU 16 -5.512 0.822 -1.215 126 H ALA 17 HN ALA 17 -7.883 0.928 3.191 127 HA ALA 17 HA ALA 17 -9.578 3.324 2.839 128 1HB ALA 17 HB1 ALA 17 -10.923 2.276 4.478 129 2HB ALA 17 HB2 ALA 17 -9.549 1.432 5.191 130 3HB ALA 17 HB3 ALA 17 -10.198 0.907 3.637 131 H LEU 18 HN LEU 18 -6.527 3.149 3.777 132 HA LEU 18 HA LEU 18 -6.582 5.504 5.426 133 1HB LEU 18 HB1 LEU 18 -7.436 3.407 6.828 134 2HB LEU 18 HB2 LEU 18 -5.709 3.071 6.961 135 HG LEU 18 HG LEU 18 -5.802 5.767 7.499 136 1HD1 LEU 18 HD21 LEU 18 -7.670 6.304 8.808 137 2HD1 LEU 18 HD22 LEU 18 -8.085 4.612 9.083 138 3HD1 LEU 18 HD23 LEU 18 -8.389 5.351 7.510 139 1HD2 LEU 18 HD11 LEU 18 -5.474 3.259 8.977 140 2HD2 LEU 18 HD12 LEU 18 -6.051 4.578 9.996 141 3HD2 LEU 18 HD13 LEU 18 -4.548 4.756 9.090 142 H GLY 19 HN GLY 19 -5.073 5.357 3.329 143 1HA GLY 19 HA1 GLY 19 -2.577 3.933 3.585 144 2HA GLY 19 HA2 GLY 19 -2.906 5.229 2.439 145 H ASP 20 HN ASP 20 -1.191 6.588 2.725 146 HA ASP 20 HA ASP 20 -0.120 7.164 5.401 147 1HB ASP 20 HB2 ASP 20 1.179 6.875 3.230 148 2HB ASP 20 HB1 ASP 20 0.503 8.417 2.703 149 H GLU 21 HN GLU 21 -0.327 9.149 6.485 150 HA GLU 21 HA GLU 21 -2.588 10.865 5.633 151 1HB GLU 21 HB1 GLU 21 -0.847 10.589 8.103 152 2HB GLU 21 HB2 GLU 21 -2.062 11.858 7.947 153 1HG GLU 21 HG1 GLU 21 -2.683 8.914 7.595 154 2HG GLU 21 HG2 GLU 21 -2.858 9.760 9.133 155 H ALA 22 HN ALA 22 0.899 10.886 5.744 156 HA ALA 22 HA ALA 22 1.111 13.813 5.459 157 1HB ALA 22 HB1 ALA 22 3.504 13.304 5.483 158 2HB ALA 22 HB2 ALA 22 3.175 11.595 5.195 159 3HB ALA 22 HB3 ALA 22 2.713 12.335 6.727 160 H GLU 23 HN GLU 23 1.532 10.907 3.431 161 HA GLU 23 HA GLU 23 2.470 12.265 1.086 162 1HB GLU 23 HB1 GLU 23 2.338 9.748 1.853 163 2HB GLU 23 HB2 GLU 23 0.799 9.777 0.997 164 1HG GLU 23 HG1 GLU 23 3.291 10.854 -0.306 165 2HG GLU 23 HG2 GLU 23 2.964 9.122 -0.316 166 H GLY 24 HN GLY 24 -0.759 11.596 2.353 167 1HA GLY 24 HA2 GLY 24 -2.603 13.113 1.759 168 2HA GLY 24 HA1 GLY 24 -1.875 13.290 0.163 169 H PHE 25 HN PHE 25 -2.110 10.162 1.752 170 HA PHE 25 HA PHE 25 -3.527 9.029 -0.515 171 1HB PHE 25 HB2 PHE 25 -2.262 8.211 2.019 172 2HB PHE 25 HB1 PHE 25 -3.647 7.215 1.571 173 HD1 PHE 25 HD1 PHE 25 -0.979 8.966 -0.391 174 HD2 PHE 25 HD2 PHE 25 -2.949 5.263 0.505 175 HE1 PHE 25 HE1 PHE 25 0.412 7.817 -2.097 176 HE2 PHE 25 HE2 PHE 25 -1.563 4.108 -1.198 177 HZ PHE 25 HZ PHE 25 0.116 5.384 -2.502 178 H THR 26 HN THR 26 -5.476 10.434 -0.466 179 HA THR 26 HA THR 26 -7.277 10.800 1.623 180 HB THR 26 HB THR 26 -7.332 11.728 -0.696 181 HG1 THR 26 HG1 THR 26 -9.461 11.974 -0.610 182 1HG2 THR 26 HG21 THR 26 -7.244 9.055 -1.432 183 2HG2 THR 26 HG22 THR 26 -7.563 10.410 -2.513 184 3HG2 THR 26 HG23 THR 26 -8.905 9.524 -1.793 185 HA PRO 27 HA PRO 27 -8.830 6.873 2.822 186 1HB PRO 27 HB1 PRO 27 -11.548 7.575 3.073 187 2HB PRO 27 HB2 PRO 27 -10.322 7.712 4.343 188 1HG PRO 27 HG1 PRO 27 -11.434 9.789 2.548 189 2HG PRO 27 HG2 PRO 27 -10.847 9.926 4.212 190 1HD PRO 27 HD2 PRO 27 -9.439 10.820 2.080 191 2HD PRO 27 HD1 PRO 27 -8.661 10.200 3.551 192 H GLY 28 HN GLY 28 -8.868 5.398 1.171 193 1HA GLY 28 HA2 GLY 28 -10.502 4.116 -0.239 194 2HA GLY 28 HA1 GLY 28 -11.038 5.672 -0.871 195 H THR 29 HN THR 29 -7.636 5.311 -0.312 196 HA THR 29 HA THR 29 -7.131 5.539 -3.208 197 HB THR 29 HB THR 29 -5.273 5.410 -0.803 198 HG1 THR 29 HG1 THR 29 -5.790 7.405 -0.487 199 1HG2 THR 29 HG21 THR 29 -4.794 5.446 -3.626 200 2HG2 THR 29 HG22 THR 29 -3.612 5.499 -2.318 201 3HG2 THR 29 HG23 THR 29 -4.284 6.997 -2.959 202 H ARG 30 HN ARG 30 -6.439 3.858 -4.482 203 HA ARG 30 HA ARG 30 -5.817 1.264 -3.111 204 1HB ARG 30 HB2 ARG 30 -7.107 1.965 -5.771 205 2HB ARG 30 HB1 ARG 30 -6.677 0.318 -5.311 206 1HG ARG 30 HG2 ARG 30 -8.355 0.174 -3.747 207 2HG ARG 30 HG1 ARG 30 -8.260 1.886 -3.336 208 1HD ARG 30 HD2 ARG 30 -10.081 2.229 -4.645 209 2HD ARG 30 HD1 ARG 30 -9.104 1.755 -6.048 210 HE ARG 30 HE ARG 30 -9.775 -0.652 -4.808 211 1HH1 ARG 30 HH22 ARG 30 -11.524 2.070 -6.093 212 2HH1 ARG 30 HH21 ARG 30 -12.905 1.121 -6.517 213 1HH2 ARG 30 HH12 ARG 30 -11.577 -1.861 -5.368 214 2HH2 ARG 30 HH11 ARG 30 -12.938 -1.089 -6.110 215 H PHE 31 HN PHE 31 -3.973 0.129 -3.807 216 HA PHE 31 HA PHE 31 -1.698 1.460 -4.744 217 1HB PHE 31 HB1 PHE 31 -2.482 -1.112 -4.001 218 2HB PHE 31 HB2 PHE 31 -1.933 -1.321 -5.665 219 HD1 PHE 31 HD1 PHE 31 -0.866 -1.372 -2.352 220 HD2 PHE 31 HD2 PHE 31 0.301 0.137 -6.200 221 HE1 PHE 31 HE1 PHE 31 1.491 -1.263 -1.593 222 HE2 PHE 31 HE2 PHE 31 2.660 0.247 -5.442 223 HZ PHE 31 HZ PHE 31 3.254 -0.453 -3.138 224 H GLU 32 HN GLU 32 -4.404 0.222 -6.602 225 HA GLU 32 HA GLU 32 -3.240 -0.027 -9.170 226 1HB GLU 32 HB1 GLU 32 -5.502 -0.737 -8.604 227 2HB GLU 32 HB2 GLU 32 -5.975 0.925 -8.249 228 1HG GLU 32 HG2 GLU 32 -6.258 1.432 -10.449 229 2HG GLU 32 HG1 GLU 32 -4.810 0.548 -10.932 230 H ASP 33 HN ASP 33 -3.994 2.840 -7.303 231 HA ASP 33 HA ASP 33 -3.345 4.539 -9.687 232 1HB ASP 33 HB2 ASP 33 -5.054 4.874 -7.219 233 2HB ASP 33 HB1 ASP 33 -4.520 6.282 -8.138 234 H ILE 34 HN ILE 34 -1.706 3.227 -7.235 235 HA ILE 34 HA ILE 34 -0.498 5.611 -6.043 236 HB ILE 34 HB ILE 34 -0.103 2.617 -5.901 237 1HG1 ILE 34 HG12 ILE 34 -1.017 4.786 -4.002 238 2HG1 ILE 34 HG11 ILE 34 -1.980 3.473 -4.666 239 1HG2 ILE 34 HG21 ILE 34 1.531 4.682 -4.391 240 2HG2 ILE 34 HG22 ILE 34 2.144 3.734 -5.746 241 3HG2 ILE 34 HG23 ILE 34 1.661 2.928 -4.255 242 1HD1 ILE 34 HD11 ILE 34 -0.201 1.935 -3.490 243 2HD1 ILE 34 HD12 ILE 34 -1.487 2.663 -2.528 244 3HD1 ILE 34 HD13 ILE 34 0.128 3.371 -2.522 245 HA PRO 35 HA PRO 35 3.175 3.801 -8.879 246 1HB PRO 35 HB1 PRO 35 1.334 3.366 -11.208 247 2HB PRO 35 HB2 PRO 35 2.820 2.500 -10.776 248 1HG PRO 35 HG2 PRO 35 0.396 1.461 -10.333 249 2HG PRO 35 HG1 PRO 35 1.754 1.177 -9.236 250 1HD PRO 35 HD1 PRO 35 -0.651 2.849 -8.863 251 2HD PRO 35 HD2 PRO 35 0.388 2.069 -7.655 252 H ASP 36 HN ASP 36 3.589 6.059 -8.684 253 HA ASP 36 HA ASP 36 3.377 7.616 -11.104 254 1HB ASP 36 HB2 ASP 36 1.006 7.545 -10.041 255 2HB ASP 36 HB1 ASP 36 1.677 8.604 -8.800 256 H ASP 37 HN ASP 37 3.525 7.887 -7.543 257 HA ASP 37 HA ASP 37 6.212 8.974 -7.588 258 1HB ASP 37 HB2 ASP 37 4.157 10.743 -8.219 259 2HB ASP 37 HB1 ASP 37 4.413 11.029 -6.497 260 H TRP 38 HN TRP 38 4.559 6.936 -6.189 261 HA TRP 38 HA TRP 38 4.658 7.963 -3.379 262 1HB TRP 38 HB1 TRP 38 2.486 7.188 -4.274 263 2HB TRP 38 HB2 TRP 38 3.205 5.634 -4.689 264 HD1 TRP 38 HD1 TRP 38 2.366 7.793 -1.619 265 HE1 TRP 38 HE1 TRP 38 2.111 6.237 0.422 266 HE3 TRP 38 HE3 TRP 38 3.730 3.346 -3.724 267 HZ2 TRP 38 HZ2 TRP 38 2.439 3.473 1.073 268 HZ3 TRP 38 HZ3 TRP 38 3.749 1.269 -2.373 269 HH2 TRP 38 HH2 TRP 38 3.105 1.328 0.020 270 H CYS 39 HN CYS 39 5.230 6.170 -1.760 271 HA CYS 39 HA CYS 39 6.801 3.896 -2.660 272 1HB CYS 39 HB2 CYS 39 8.979 4.828 -1.840 273 2HB CYS 39 HB1 CYS 39 8.336 5.731 -3.204 274 HG CYS 39 HG CYS 39 7.315 7.388 -1.236 275 H CYS 40 HN CYS 40 8.467 3.649 -0.414 276 HA CYS 40 HA CYS 40 6.454 3.091 1.689 277 1HB CYS 40 HB1 CYS 40 8.740 1.849 0.635 278 2HB CYS 40 HB2 CYS 40 9.247 2.409 2.229 279 HA PRO 41 HA PRO 41 7.568 6.313 4.437 280 1HB PRO 41 HB2 PRO 41 8.306 4.427 6.600 281 2HB PRO 41 HB1 PRO 41 6.997 5.620 6.554 282 1HG PRO 41 HG1 PRO 41 6.552 2.972 6.392 283 2HG PRO 41 HG2 PRO 41 5.530 4.165 5.578 284 1HD PRO 41 HD1 PRO 41 7.619 2.369 4.445 285 2HD PRO 41 HD2 PRO 41 6.090 2.924 3.728 286 H ASP 42 HN ASP 42 9.849 3.566 4.611 287 HA ASP 42 HA ASP 42 12.096 5.505 4.408 288 1HB ASP 42 HB1 ASP 42 11.186 4.414 6.824 289 2HB ASP 42 HB2 ASP 42 12.583 3.424 6.403 290 H CYS 43 HN CYS 43 11.316 3.838 2.347 291 HA CYS 43 HA CYS 43 13.537 1.831 2.316 292 1HB CYS 43 HB2 CYS 43 10.700 1.451 1.302 293 2HB CYS 43 HB1 CYS 43 11.983 0.247 1.245 294 H GLY 44 HN GLY 44 11.114 3.589 0.359 295 1HA GLY 44 HA1 GLY 44 11.430 4.756 -1.667 296 2HA GLY 44 HA2 GLY 44 13.156 4.425 -1.540 297 H ALA 45 HN ALA 45 10.679 1.919 -1.408 298 HA ALA 45 HA ALA 45 11.807 0.809 -3.951 299 1HB ALA 45 HB1 ALA 45 10.575 -1.278 -2.862 300 2HB ALA 45 HB2 ALA 45 10.674 -0.301 -1.397 301 3HB ALA 45 HB3 ALA 45 12.147 -0.761 -2.251 302 H THR 46 HN THR 46 10.173 -0.445 -5.273 303 HA THR 46 HA THR 46 7.696 1.153 -5.558 304 HB THR 46 HB THR 46 7.582 -0.025 -7.714 305 HG1 THR 46 HG1 THR 46 9.366 -1.541 -8.105 306 1HG2 THR 46 HG21 THR 46 9.347 1.097 -8.656 307 2HG2 THR 46 HG22 THR 46 10.512 0.434 -7.510 308 3HG2 THR 46 HG23 THR 46 9.474 1.778 -7.034 309 H LYS 47 HN LYS 47 6.031 -0.806 -6.681 310 HA LYS 47 HA LYS 47 4.809 -1.989 -4.391 311 1HB LYS 47 HB2 LYS 47 3.634 -1.470 -6.478 312 2HB LYS 47 HB1 LYS 47 4.650 -2.609 -7.365 313 1HG LYS 47 HG1 LYS 47 3.651 -4.480 -6.344 314 2HG LYS 47 HG2 LYS 47 3.021 -3.526 -5.001 315 1HD LYS 47 HD2 LYS 47 1.214 -4.134 -6.571 316 2HD LYS 47 HD1 LYS 47 1.460 -2.388 -6.541 317 1HE LYS 47 HE1 LYS 47 1.819 -2.431 -8.778 318 2HE LYS 47 HE2 LYS 47 3.223 -3.484 -8.517 319 1HZ LYS 47 HZ1 LYS 47 0.452 -4.523 -8.403 320 2HZ LYS 47 HZ2 LYS 47 1.896 -5.392 -8.613 321 3HZ LYS 47 HZ3 LYS 47 1.292 -4.428 -9.874 322 H GLU 48 HN GLU 48 7.539 -3.008 -6.259 323 HA GLU 48 HA GLU 48 7.438 -5.808 -6.171 324 1HB GLU 48 HB2 GLU 48 9.926 -5.607 -6.109 325 2HB GLU 48 HB1 GLU 48 9.206 -4.448 -7.226 326 1HG GLU 48 HG1 GLU 48 9.281 -2.734 -5.389 327 2HG GLU 48 HG2 GLU 48 10.162 -3.898 -4.402 328 H ASP 49 HN ASP 49 8.372 -3.555 -3.566 329 HA ASP 49 HA ASP 49 8.938 -5.713 -1.670 330 1HB ASP 49 HB1 ASP 49 8.731 -2.696 -1.621 331 2HB ASP 49 HB2 ASP 49 8.977 -3.611 -0.134 332 H TYR 50 HN TYR 50 6.133 -3.945 -2.697 333 HA TYR 50 HA TYR 50 4.629 -4.551 -0.218 334 1HB TYR 50 HB1 TYR 50 4.432 -2.817 -2.626 335 2HB TYR 50 HB2 TYR 50 2.899 -3.371 -1.959 336 HD1 TYR 50 HD1 TYR 50 2.378 -2.942 0.476 337 HD2 TYR 50 HD2 TYR 50 5.751 -1.179 -1.516 338 HE1 TYR 50 HE1 TYR 50 2.575 -1.264 2.294 339 HE2 TYR 50 HE2 TYR 50 5.948 0.500 0.300 340 HH TYR 50 HH TYR 50 4.254 1.528 2.039 341 H VAL 51 HN VAL 51 3.474 -6.424 -0.081 342 HA VAL 51 HA VAL 51 2.660 -7.777 -2.633 343 HB VAL 51 HB VAL 51 3.374 -8.851 0.122 344 1HG1 VAL 51 HG21 VAL 51 3.240 -10.832 -1.975 345 2HG1 VAL 51 HG22 VAL 51 1.700 -9.984 -1.854 346 3HG1 VAL 51 HG23 VAL 51 2.375 -10.789 -0.440 347 1HG2 VAL 51 HG11 VAL 51 4.755 -8.989 -2.574 348 2HG2 VAL 51 HG12 VAL 51 5.259 -9.905 -1.154 349 3HG2 VAL 51 HG13 VAL 51 5.330 -8.143 -1.138 350 H LEU 52 HN LEU 52 0.509 -8.614 -2.708 351 HA LEU 52 HA LEU 52 -1.483 -7.196 -1.186 352 1HB LEU 52 HB2 LEU 52 -1.374 -8.456 -3.545 353 2HB LEU 52 HB1 LEU 52 -2.040 -9.773 -2.582 354 HG LEU 52 HG LEU 52 -3.259 -7.109 -2.133 355 1HD1 LEU 52 HD21 LEU 52 -3.639 -8.643 -4.719 356 2HD1 LEU 52 HD22 LEU 52 -2.960 -7.023 -4.551 357 3HD1 LEU 52 HD23 LEU 52 -4.661 -7.310 -4.179 358 1HD2 LEU 52 HD11 LEU 52 -4.254 -9.941 -2.512 359 2HD2 LEU 52 HD12 LEU 52 -5.325 -8.564 -2.259 360 3HD2 LEU 52 HD13 LEU 52 -4.169 -9.024 -1.008 361 H TYR 53 HN TYR 53 -1.938 -7.630 0.929 362 HA TYR 53 HA TYR 53 -1.061 -9.993 2.311 363 1HB TYR 53 HB2 TYR 53 -1.574 -7.623 3.164 364 2HB TYR 53 HB1 TYR 53 -3.275 -8.085 3.116 365 HD1 TYR 53 HD1 TYR 53 -4.153 -9.836 4.606 366 HD2 TYR 53 HD2 TYR 53 -0.042 -8.601 4.782 367 HE1 TYR 53 HE1 TYR 53 -3.903 -10.974 6.795 368 HE2 TYR 53 HE2 TYR 53 0.207 -9.738 6.971 369 HH TYR 53 HH TYR 53 -2.359 -10.711 8.838 370 H GLU 54 HN GLU 54 -2.199 -11.864 2.850 371 HA GLU 54 HA GLU 54 -5.064 -12.152 2.540 372 1HB GLU 54 HB2 GLU 54 -4.180 -11.972 0.166 373 2HB GLU 54 HB1 GLU 54 -3.290 -13.467 0.453 374 1HG GLU 54 HG1 GLU 54 -5.869 -14.058 1.321 375 2HG GLU 54 HG2 GLU 54 -6.128 -13.081 -0.125 376 H GLU 55 HN GLU 55 -5.577 -13.765 3.962 377 HA GLU 55 HA GLU 55 -3.870 -16.185 4.128 378 1HB GLU 55 HB2 GLU 55 -4.009 -13.955 6.068 379 2HB GLU 55 HB1 GLU 55 -4.205 -15.553 6.789 380 1HG GLU 55 HG1 GLU 55 -2.065 -15.499 4.801 381 2HG GLU 55 HG2 GLU 55 -1.784 -14.350 6.109 382 H LYS 56 HN LYS 56 -6.408 -16.189 3.103 383 HA LYS 56 HA LYS 56 -7.857 -17.845 5.046 384 1HB LYS 56 HB1 LYS 56 -9.869 -16.342 4.957 385 2HB LYS 56 HB2 LYS 56 -8.481 -15.571 5.724 386 1HG LYS 56 HG1 LYS 56 -7.961 -14.342 3.714 387 2HG LYS 56 HG2 LYS 56 -9.155 -15.251 2.787 388 1HD LYS 56 HD2 LYS 56 -10.920 -14.060 3.641 389 2HD LYS 56 HD1 LYS 56 -10.156 -13.861 5.218 390 1HE LYS 56 HE2 LYS 56 -8.490 -12.290 3.956 391 2HE LYS 56 HE1 LYS 56 -9.748 -12.237 2.708 392 1HZ LYS 56 HZ1 LYS 56 -9.957 -11.484 5.567 393 2HZ LYS 56 HZ2 LYS 56 -11.335 -11.830 4.636 394 3HZ LYS 56 HZ3 LYS 56 -10.321 -10.538 4.205 Start of MODEL 6 1 H ALA 1 HT1 ALA 1 -14.994 -0.783 -2.471 2 HA ALA 1 HA ALA 1 -14.579 -2.414 -0.020 3 1HB ALA 1 HB1 ALA 1 -13.940 -3.456 -2.724 4 2HB ALA 1 HB2 ALA 1 -15.661 -3.260 -2.393 5 3HB ALA 1 HB3 ALA 1 -14.674 -4.284 -1.350 6 H TYR 2 HN TYR 2 -12.465 -2.263 0.631 7 HA TYR 2 HA TYR 2 -10.482 -1.098 -1.300 8 1HB TYR 2 HB2 TYR 2 -11.010 -0.685 1.652 9 2HB TYR 2 HB1 TYR 2 -9.461 -0.245 0.933 10 HD1 TYR 2 HD1 TYR 2 -9.787 1.037 -1.461 11 HD2 TYR 2 HD2 TYR 2 -12.567 1.030 1.813 12 HE1 TYR 2 HE1 TYR 2 -10.775 3.152 -2.296 13 HE2 TYR 2 HE2 TYR 2 -13.556 3.146 0.978 14 HH TYR 2 HH TYR 2 -13.678 4.279 -1.458 15 H LEU 3 HN LEU 3 -8.554 -2.205 -1.493 16 HA LEU 3 HA LEU 3 -8.358 -4.833 -0.148 17 1HB LEU 3 HB1 LEU 3 -7.489 -3.517 -2.603 18 2HB LEU 3 HB2 LEU 3 -6.156 -4.380 -1.837 19 HG LEU 3 HG LEU 3 -7.749 -6.364 -1.617 20 1HD1 LEU 3 HD11 LEU 3 -9.467 -4.383 -2.926 21 2HD1 LEU 3 HD12 LEU 3 -9.909 -5.869 -2.086 22 3HD1 LEU 3 HD13 LEU 3 -9.424 -5.924 -3.780 23 1HD2 LEU 3 HD21 LEU 3 -6.380 -5.307 -3.985 24 2HD2 LEU 3 HD22 LEU 3 -7.649 -6.467 -4.381 25 3HD2 LEU 3 HD23 LEU 3 -6.338 -6.930 -3.296 26 H LYS 4 HN LYS 4 -6.218 -5.493 0.757 27 HA LYS 4 HA LYS 4 -4.783 -3.186 2.035 28 1HB LYS 4 HB1 LYS 4 -5.362 -5.971 3.115 29 2HB LYS 4 HB2 LYS 4 -4.573 -4.663 3.999 30 1HG LYS 4 HG1 LYS 4 -6.670 -3.282 3.604 31 2HG LYS 4 HG2 LYS 4 -7.434 -4.755 3.007 32 1HD LYS 4 HD2 LYS 4 -7.416 -5.773 5.099 33 2HD LYS 4 HD1 LYS 4 -6.045 -4.818 5.665 34 1HE LYS 4 HE1 LYS 4 -7.834 -3.820 6.822 35 2HE LYS 4 HE2 LYS 4 -7.737 -2.794 5.379 36 1HZ LYS 4 HZ1 LYS 4 -9.555 -5.084 5.886 37 2HZ LYS 4 HZ2 LYS 4 -9.275 -4.487 4.321 38 3HZ LYS 4 HZ3 LYS 4 -9.972 -3.483 5.500 39 H TRP 5 HN TRP 5 -2.509 -3.348 2.078 40 HA TRP 5 HA TRP 5 -1.336 -5.695 0.610 41 1HB TRP 5 HB2 TRP 5 -0.447 -2.788 0.693 42 2HB TRP 5 HB1 TRP 5 0.264 -4.060 -0.298 43 HD1 TRP 5 HD1 TRP 5 -3.150 -2.319 0.194 44 HE1 TRP 5 HE1 TRP 5 -4.358 -2.267 -2.076 45 HE3 TRP 5 HE3 TRP 5 0.199 -4.929 -2.639 46 HZ2 TRP 5 HZ2 TRP 5 -3.962 -3.220 -4.748 47 HZ3 TRP 5 HZ3 TRP 5 -0.240 -5.343 -5.042 48 HH2 TRP 5 HH2 TRP 5 -2.313 -4.491 -6.101 49 H ILE 6 HN ILE 6 1.175 -5.670 1.074 50 HA ILE 6 HA ILE 6 1.871 -4.879 3.832 51 HB ILE 6 HB ILE 6 0.761 -6.996 4.203 52 1HG1 ILE 6 HG12 ILE 6 2.538 -8.366 5.109 53 2HG1 ILE 6 HG11 ILE 6 3.722 -7.618 4.042 54 1HG2 ILE 6 HG21 ILE 6 0.544 -8.312 2.371 55 2HG2 ILE 6 HG22 ILE 6 2.136 -8.943 2.791 56 3HG2 ILE 6 HG23 ILE 6 1.989 -7.635 1.618 57 1HD1 ILE 6 HD11 ILE 6 3.030 -6.793 6.644 58 2HD1 ILE 6 HD12 ILE 6 2.313 -5.596 5.567 59 3HD1 ILE 6 HD13 ILE 6 4.043 -5.922 5.492 60 H CYS 7 HN CYS 7 3.983 -4.230 3.798 61 HA CYS 7 HA CYS 7 5.625 -4.612 1.417 62 1HB CYS 7 HB2 CYS 7 5.540 -2.573 2.900 63 2HB CYS 7 HB1 CYS 7 6.313 -3.521 4.172 64 H ILE 8 HN ILE 8 6.173 -6.832 1.218 65 HA ILE 8 HA ILE 8 6.893 -8.632 3.246 66 HB ILE 8 HB ILE 8 6.517 -9.293 0.945 67 1HG1 ILE 8 HG11 ILE 8 9.377 -9.926 0.947 68 2HG1 ILE 8 HG12 ILE 8 8.617 -10.221 2.511 69 1HG2 ILE 8 HG21 ILE 8 8.503 -8.697 -0.654 70 2HG2 ILE 8 HG22 ILE 8 8.777 -7.388 0.497 71 3HG2 ILE 8 HG23 ILE 8 7.239 -7.504 -0.350 72 1HD1 ILE 8 HD11 ILE 8 6.901 -11.604 1.447 73 2HD1 ILE 8 HD12 ILE 8 8.498 -12.205 1.002 74 3HD1 ILE 8 HD13 ILE 8 7.568 -11.242 -0.146 75 H THR 9 HN THR 9 8.682 -5.948 1.958 76 HA THR 9 HA THR 9 11.287 -6.836 2.934 77 HB THR 9 HB THR 9 10.142 -4.201 1.935 78 HG1 THR 9 HG1 THR 9 10.363 -6.135 0.545 79 1HG2 THR 9 HG21 THR 9 12.986 -5.015 2.584 80 2HG2 THR 9 HG22 THR 9 12.072 -3.670 3.269 81 3HG2 THR 9 HG23 THR 9 12.582 -3.621 1.580 82 H CYS 10 HN CYS 10 8.632 -4.844 4.146 83 HA CYS 10 HA CYS 10 10.236 -4.198 6.584 84 1HB CYS 10 HB1 CYS 10 8.058 -2.943 5.016 85 2HB CYS 10 HB2 CYS 10 8.035 -2.657 6.751 86 H GLY 11 HN GLY 11 6.884 -5.045 5.662 87 1HA GLY 11 HA2 GLY 11 5.824 -7.022 6.740 88 2HA GLY 11 HA1 GLY 11 6.695 -6.597 8.213 89 H HIS 12 HN HIS 12 5.488 -3.870 6.520 90 HA HIS 12 HA HIS 12 3.374 -3.532 8.596 91 1HB HIS 12 HB1 HIS 12 5.114 -1.812 6.877 92 2HB HIS 12 HB2 HIS 12 3.531 -1.161 7.309 93 HD1 HIS 12 HD1 HIS 12 6.892 -1.331 8.551 94 HD2 HIS 12 HD2 HIS 12 3.121 -1.458 10.327 95 HE1 HIS 12 HE1 HIS 12 7.234 -0.786 11.002 96 H ILE 13 HN ILE 13 1.225 -3.577 8.020 97 HA ILE 13 HA ILE 13 0.563 -4.203 5.214 98 HB ILE 13 HB ILE 13 -0.896 -4.186 7.871 99 1HG1 ILE 13 HG11 ILE 13 -0.887 -6.613 6.251 100 2HG1 ILE 13 HG12 ILE 13 0.744 -6.041 6.595 101 1HG2 ILE 13 HG21 ILE 13 -2.006 -4.705 5.101 102 2HG2 ILE 13 HG22 ILE 13 -2.608 -3.566 6.306 103 3HG2 ILE 13 HG23 ILE 13 -2.779 -5.302 6.570 104 1HD1 ILE 13 HD11 ILE 13 0.120 -5.875 9.013 105 2HD1 ILE 13 HD12 ILE 13 0.022 -7.525 8.394 106 3HD1 ILE 13 HD13 ILE 13 -1.449 -6.578 8.618 107 H TYR 14 HN TYR 14 -0.761 -2.931 3.907 108 HA TYR 14 HA TYR 14 -1.105 -0.091 4.775 109 1HB TYR 14 HB2 TYR 14 0.249 -0.478 2.781 110 2HB TYR 14 HB1 TYR 14 -1.008 -1.495 2.076 111 HD1 TYR 14 HD1 TYR 14 -2.608 -0.526 0.643 112 HD2 TYR 14 HD2 TYR 14 -0.443 1.957 3.400 113 HE1 TYR 14 HE1 TYR 14 -3.652 1.490 -0.353 114 HE2 TYR 14 HE2 TYR 14 -1.489 3.975 2.404 115 HH TYR 14 HH TYR 14 -4.164 3.940 0.570 116 H ASP 15 HN ASP 15 -3.161 0.650 5.129 117 HA ASP 15 HA ASP 15 -5.449 -1.097 4.340 118 1HB ASP 15 HB2 ASP 15 -4.775 -0.038 6.728 119 2HB ASP 15 HB1 ASP 15 -5.730 1.304 6.097 120 H GLU 16 HN GLU 16 -6.042 -0.470 2.267 121 HA GLU 16 HA GLU 16 -5.757 2.022 1.029 122 1HB GLU 16 HB2 GLU 16 -7.529 -0.369 0.810 123 2HB GLU 16 HB1 GLU 16 -8.019 1.061 -0.094 124 1HG GLU 16 HG2 GLU 16 -5.691 1.156 -1.055 125 2HG GLU 16 HG1 GLU 16 -5.365 -0.390 -0.274 126 H ALA 17 HN ALA 17 -8.053 1.074 3.492 127 HA ALA 17 HA ALA 17 -9.986 3.186 2.994 128 1HB ALA 17 HB1 ALA 17 -11.108 1.984 4.564 129 2HB ALA 17 HB2 ALA 17 -9.791 2.154 5.725 130 3HB ALA 17 HB3 ALA 17 -9.747 0.862 4.526 131 H LEU 18 HN LEU 18 -6.817 3.353 4.112 132 HA LEU 18 HA LEU 18 -7.096 6.104 4.951 133 1HB LEU 18 HB2 LEU 18 -6.702 5.735 7.349 134 2HB LEU 18 HB1 LEU 18 -8.130 4.830 6.843 135 HG LEU 18 HG LEU 18 -5.791 3.202 6.452 136 1HD1 LEU 18 HD11 LEU 18 -5.928 4.776 8.972 137 2HD1 LEU 18 HD12 LEU 18 -4.531 4.062 8.167 138 3HD1 LEU 18 HD13 LEU 18 -5.597 3.051 9.141 139 1HD2 LEU 18 HD21 LEU 18 -7.145 1.947 8.379 140 2HD2 LEU 18 HD22 LEU 18 -7.757 2.016 6.726 141 3HD2 LEU 18 HD23 LEU 18 -8.380 3.129 7.944 142 H GLY 19 HN GLY 19 -5.392 5.584 3.142 143 1HA GLY 19 HA1 GLY 19 -2.916 4.335 3.780 144 2HA GLY 19 HA2 GLY 19 -3.143 5.517 2.494 145 H ASP 20 HN ASP 20 -1.438 6.896 2.807 146 HA ASP 20 HA ASP 20 -0.712 7.776 5.535 147 1HB ASP 20 HB2 ASP 20 1.033 7.092 3.988 148 2HB ASP 20 HB1 ASP 20 0.409 8.164 2.735 149 H GLU 21 HN GLU 21 -0.329 10.166 5.849 150 HA GLU 21 HA GLU 21 -2.507 11.748 4.538 151 1HB GLU 21 HB2 GLU 21 -2.539 11.315 7.024 152 2HB GLU 21 HB1 GLU 21 -1.018 12.199 7.151 153 1HG GLU 21 HG1 GLU 21 -2.432 13.968 7.519 154 2HG GLU 21 HG2 GLU 21 -2.464 14.004 5.756 155 H ALA 22 HN ALA 22 0.937 11.614 5.217 156 HA ALA 22 HA ALA 22 1.577 14.348 4.552 157 1HB ALA 22 HB1 ALA 22 2.837 12.043 5.513 158 2HB ALA 22 HB2 ALA 22 3.626 13.588 5.189 159 3HB ALA 22 HB3 ALA 22 3.613 12.327 3.955 160 H GLU 23 HN GLU 23 1.925 11.318 2.655 161 HA GLU 23 HA GLU 23 2.665 12.584 0.204 162 1HB GLU 23 HB2 GLU 23 1.252 9.962 0.826 163 2HB GLU 23 HB1 GLU 23 2.043 10.342 -0.699 164 1HG GLU 23 HG1 GLU 23 3.551 10.555 1.896 165 2HG GLU 23 HG2 GLU 23 3.387 9.002 1.079 166 H GLY 24 HN GLY 24 -0.429 12.079 1.760 167 1HA GLY 24 HA2 GLY 24 -2.341 13.466 1.116 168 2HA GLY 24 HA1 GLY 24 -1.738 13.449 -0.541 169 H PHE 25 HN PHE 25 -1.801 10.536 1.426 170 HA PHE 25 HA PHE 25 -3.476 9.196 -0.567 171 1HB PHE 25 HB2 PHE 25 -1.729 8.614 1.737 172 2HB PHE 25 HB1 PHE 25 -3.109 7.528 1.627 173 HD1 PHE 25 HD1 PHE 25 -1.777 9.027 -1.465 174 HD2 PHE 25 HD2 PHE 25 -1.578 5.648 1.180 175 HE1 PHE 25 HE1 PHE 25 -0.618 7.720 -3.223 176 HE2 PHE 25 HE2 PHE 25 -0.421 4.341 -0.581 177 HZ PHE 25 HZ PHE 25 0.061 5.377 -2.780 178 H THR 26 HN THR 26 -5.426 10.601 -0.183 179 HA THR 26 HA THR 26 -6.841 10.847 2.226 180 HB THR 26 HB THR 26 -7.275 11.915 -0.002 181 HG1 THR 26 HG1 THR 26 -9.458 12.000 0.321 182 1HG2 THR 26 HG21 THR 26 -7.770 10.688 -1.824 183 2HG2 THR 26 HG22 THR 26 -9.035 9.809 -0.966 184 3HG2 THR 26 HG23 THR 26 -7.362 9.263 -0.869 185 HA PRO 27 HA PRO 27 -8.218 6.848 3.415 186 1HB PRO 27 HB2 PRO 27 -10.960 7.990 3.683 187 2HB PRO 27 HB1 PRO 27 -9.961 7.173 4.898 188 1HG PRO 27 HG2 PRO 27 -10.368 9.826 4.921 189 2HG PRO 27 HG1 PRO 27 -8.855 9.093 5.467 190 1HD PRO 27 HD1 PRO 27 -9.441 10.582 2.966 191 2HD PRO 27 HD2 PRO 27 -7.928 10.465 3.889 192 H GLY 28 HN GLY 28 -8.099 5.780 1.373 193 1HA GLY 28 HA2 GLY 28 -10.091 4.449 0.216 194 2HA GLY 28 HA1 GLY 28 -10.413 6.045 -0.460 195 H THR 29 HN THR 29 -7.284 6.376 -0.294 196 HA THR 29 HA THR 29 -6.658 6.054 -2.998 197 HB THR 29 HB THR 29 -4.641 5.521 -0.821 198 HG1 THR 29 HG1 THR 29 -6.002 7.949 -1.332 199 1HG2 THR 29 HG21 THR 29 -3.358 5.916 -2.647 200 2HG2 THR 29 HG22 THR 29 -3.799 7.609 -2.424 201 3HG2 THR 29 HG23 THR 29 -4.710 6.601 -3.548 202 H ARG 30 HN ARG 30 -6.561 4.235 -4.243 203 HA ARG 30 HA ARG 30 -6.083 1.603 -2.905 204 1HB ARG 30 HB1 ARG 30 -8.175 1.878 -4.159 205 2HB ARG 30 HB2 ARG 30 -7.281 2.420 -5.579 206 1HG ARG 30 HG1 ARG 30 -6.291 0.264 -5.891 207 2HG ARG 30 HG2 ARG 30 -6.828 -0.286 -4.305 208 1HD ARG 30 HD2 ARG 30 -8.376 -1.254 -5.855 209 2HD ARG 30 HD1 ARG 30 -9.231 0.149 -5.185 210 HE ARG 30 HE ARG 30 -7.785 1.142 -7.367 211 1HH1 ARG 30 HH22 ARG 30 -10.213 -1.296 -6.833 212 2HH1 ARG 30 HH21 ARG 30 -10.888 -1.127 -8.417 213 1HH2 ARG 30 HH12 ARG 30 -8.679 1.342 -9.419 214 2HH2 ARG 30 HH11 ARG 30 -10.028 0.354 -9.870 215 H PHE 31 HN PHE 31 -4.316 0.352 -3.520 216 HA PHE 31 HA PHE 31 -1.961 1.402 -4.565 217 1HB PHE 31 HB1 PHE 31 -3.085 -1.119 -3.859 218 2HB PHE 31 HB2 PHE 31 -2.305 -1.336 -5.424 219 HD1 PHE 31 HD1 PHE 31 -0.066 -1.955 -5.378 220 HD2 PHE 31 HD2 PHE 31 -1.630 0.470 -2.195 221 HE1 PHE 31 HE1 PHE 31 2.151 -1.984 -4.267 222 HE2 PHE 31 HE2 PHE 31 0.587 0.441 -1.084 223 HZ PHE 31 HZ PHE 31 2.477 -0.787 -2.119 224 H GLU 32 HN GLU 32 -4.506 -0.303 -6.433 225 HA GLU 32 HA GLU 32 -3.320 -0.266 -8.980 226 1HB GLU 32 HB1 GLU 32 -5.409 -1.401 -8.430 227 2HB GLU 32 HB2 GLU 32 -6.199 0.141 -8.098 228 1HG GLU 32 HG2 GLU 32 -6.634 0.478 -10.289 229 2HG GLU 32 HG1 GLU 32 -4.970 0.108 -10.742 230 H ASP 33 HN ASP 33 -4.940 2.348 -7.223 231 HA ASP 33 HA ASP 33 -4.688 4.177 -9.544 232 1HB ASP 33 HB2 ASP 33 -6.186 3.963 -7.010 233 2HB ASP 33 HB1 ASP 33 -5.663 5.604 -7.388 234 H ILE 34 HN ILE 34 -2.463 3.084 -7.485 235 HA ILE 34 HA ILE 34 -1.314 5.769 -6.834 236 HB ILE 34 HB ILE 34 -0.915 2.966 -5.735 237 1HG1 ILE 34 HG12 ILE 34 -1.844 5.486 -4.345 238 2HG1 ILE 34 HG11 ILE 34 -2.958 4.344 -5.091 239 1HG2 ILE 34 HG21 ILE 34 0.622 4.008 -4.098 240 2HG2 ILE 34 HG22 ILE 34 0.486 5.542 -4.958 241 3HG2 ILE 34 HG23 ILE 34 1.241 4.155 -5.743 242 1HD1 ILE 34 HD11 ILE 34 -0.946 3.098 -3.330 243 2HD1 ILE 34 HD12 ILE 34 -2.684 2.815 -3.427 244 3HD1 ILE 34 HD13 ILE 34 -2.064 4.179 -2.498 245 HA PRO 35 HA PRO 35 1.286 4.622 -10.368 246 1HB PRO 35 HB2 PRO 35 2.734 7.012 -10.269 247 2HB PRO 35 HB1 PRO 35 1.248 6.763 -11.201 248 1HG PRO 35 HG1 PRO 35 1.640 8.071 -8.565 249 2HG PRO 35 HG2 PRO 35 0.506 8.464 -9.864 250 1HD PRO 35 HD1 PRO 35 -0.239 7.192 -7.593 251 2HD PRO 35 HD2 PRO 35 -1.037 6.913 -9.155 252 H ASP 36 HN ASP 36 3.942 5.411 -10.459 253 HA ASP 36 HA ASP 36 5.122 3.748 -8.359 254 1HB ASP 36 HB1 ASP 36 6.096 5.287 -10.778 255 2HB ASP 36 HB2 ASP 36 7.219 4.447 -9.708 256 H ASP 37 HN ASP 37 4.567 7.139 -8.827 257 HA ASP 37 HA ASP 37 6.717 8.376 -7.520 258 1HB ASP 37 HB2 ASP 37 3.903 8.876 -8.135 259 2HB ASP 37 HB1 ASP 37 4.393 9.677 -6.642 260 H TRP 38 HN TRP 38 3.827 6.873 -6.046 261 HA TRP 38 HA TRP 38 4.573 7.487 -3.319 262 1HB TRP 38 HB1 TRP 38 2.278 7.010 -4.000 263 2HB TRP 38 HB2 TRP 38 2.749 5.426 -4.615 264 HD1 TRP 38 HD1 TRP 38 2.232 7.344 -1.346 265 HE1 TRP 38 HE1 TRP 38 2.019 5.645 0.582 266 HE3 TRP 38 HE3 TRP 38 3.346 3.033 -3.844 267 HZ2 TRP 38 HZ2 TRP 38 2.286 2.827 1.006 268 HZ3 TRP 38 HZ3 TRP 38 3.361 0.859 -2.657 269 HH2 TRP 38 HH2 TRP 38 2.831 0.750 -0.237 270 H CYS 39 HN CYS 39 5.675 6.167 -1.823 271 HA CYS 39 HA CYS 39 6.733 3.547 -2.779 272 1HB CYS 39 HB1 CYS 39 8.293 5.958 -1.790 273 2HB CYS 39 HB2 CYS 39 8.998 4.346 -1.927 274 HG CYS 39 HG CYS 39 8.802 6.211 -4.195 275 H CYS 40 HN CYS 40 8.221 2.738 -0.738 276 HA CYS 40 HA CYS 40 6.349 2.378 1.450 277 1HB CYS 40 HB1 CYS 40 8.379 0.963 0.375 278 2HB CYS 40 HB2 CYS 40 9.255 1.732 1.699 279 HA PRO 41 HA PRO 41 7.677 5.951 3.730 280 1HB PRO 41 HB1 PRO 41 6.540 5.294 6.152 281 2HB PRO 41 HB2 PRO 41 5.618 5.951 4.788 282 1HG PRO 41 HG2 PRO 41 5.849 3.151 5.754 283 2HG PRO 41 HG1 PRO 41 4.459 3.996 5.063 284 1HD PRO 41 HD2 PRO 41 6.022 2.213 3.685 285 2HD PRO 41 HD1 PRO 41 5.076 3.506 2.920 286 H ASP 42 HN ASP 42 8.557 2.694 4.445 287 HA ASP 42 HA ASP 42 10.512 3.605 6.520 288 1HB ASP 42 HB1 ASP 42 8.995 1.102 5.893 289 2HB ASP 42 HB2 ASP 42 10.569 0.925 6.668 290 H CYS 43 HN CYS 43 10.226 2.215 3.314 291 HA CYS 43 HA CYS 43 13.194 1.787 3.252 292 1HB CYS 43 HB1 CYS 43 10.870 0.666 1.650 293 2HB CYS 43 HB2 CYS 43 12.556 0.365 1.238 294 H GLY 44 HN GLY 44 10.805 2.357 0.674 295 1HA GLY 44 HA2 GLY 44 10.734 4.676 -0.353 296 2HA GLY 44 HA1 GLY 44 12.493 4.657 -0.224 297 H ALA 45 HN ALA 45 10.461 1.920 -1.186 298 HA ALA 45 HA ALA 45 11.831 1.971 -3.853 299 1HB ALA 45 HB1 ALA 45 12.181 0.099 -2.095 300 2HB ALA 45 HB2 ALA 45 11.778 -0.411 -3.735 301 3HB ALA 45 HB3 ALA 45 10.534 -0.398 -2.484 302 H THR 46 HN THR 46 10.264 0.261 -5.267 303 HA THR 46 HA THR 46 7.796 1.836 -5.667 304 HB THR 46 HB THR 46 7.702 0.531 -7.747 305 HG1 THR 46 HG1 THR 46 9.973 -0.875 -6.839 306 1HG2 THR 46 HG21 THR 46 9.447 2.406 -7.368 307 2HG2 THR 46 HG22 THR 46 9.684 1.335 -8.749 308 3HG2 THR 46 HG23 THR 46 10.627 1.098 -7.277 309 H LYS 47 HN LYS 47 6.116 -0.154 -6.697 310 HA LYS 47 HA LYS 47 4.924 -1.237 -4.300 311 1HB LYS 47 HB1 LYS 47 4.503 -1.869 -7.247 312 2HB LYS 47 HB2 LYS 47 3.364 -2.232 -5.949 313 1HG LYS 47 HG2 LYS 47 2.486 -0.176 -6.211 314 2HG LYS 47 HG1 LYS 47 4.024 0.508 -5.683 315 1HD LYS 47 HD1 LYS 47 3.779 1.475 -7.796 316 2HD LYS 47 HD2 LYS 47 4.757 0.055 -8.166 317 1HE LYS 47 HE2 LYS 47 3.073 -0.190 -9.763 318 2HE LYS 47 HE1 LYS 47 2.332 -1.074 -8.415 319 1HZ LYS 47 HZ1 LYS 47 2.043 1.859 -8.685 320 2HZ LYS 47 HZ2 LYS 47 1.082 0.780 -7.793 321 3HZ LYS 47 HZ3 LYS 47 0.982 0.804 -9.488 322 H GLU 48 HN GLU 48 7.539 -2.341 -6.214 323 HA GLU 48 HA GLU 48 7.250 -5.129 -6.328 324 1HB GLU 48 HB2 GLU 48 9.150 -3.386 -6.987 325 2HB GLU 48 HB1 GLU 48 9.834 -3.879 -5.439 326 1HG GLU 48 HG2 GLU 48 9.210 -6.309 -6.458 327 2HG GLU 48 HG1 GLU 48 9.525 -5.430 -7.954 328 H ASP 49 HN ASP 49 8.419 -3.152 -3.584 329 HA ASP 49 HA ASP 49 8.854 -5.416 -1.823 330 1HB ASP 49 HB1 ASP 49 8.415 -2.441 -1.358 331 2HB ASP 49 HB2 ASP 49 9.003 -3.564 -0.133 332 H TYR 50 HN TYR 50 6.064 -3.565 -2.774 333 HA TYR 50 HA TYR 50 4.481 -4.465 -0.433 334 1HB TYR 50 HB1 TYR 50 4.374 -2.424 -2.587 335 2HB TYR 50 HB2 TYR 50 2.813 -3.069 -2.089 336 HD1 TYR 50 HD1 TYR 50 5.513 -0.844 -1.254 337 HD2 TYR 50 HD2 TYR 50 2.252 -3.088 0.411 338 HE1 TYR 50 HE1 TYR 50 5.585 0.568 0.785 339 HE2 TYR 50 HE2 TYR 50 2.323 -1.677 2.451 340 HH TYR 50 HH TYR 50 4.888 0.669 2.976 341 H VAL 51 HN VAL 51 3.037 -6.141 -0.569 342 HA VAL 51 HA VAL 51 2.290 -7.166 -3.284 343 HB VAL 51 HB VAL 51 2.628 -9.462 -2.310 344 1HG1 VAL 51 HG11 VAL 51 5.022 -9.444 -2.519 345 2HG1 VAL 51 HG12 VAL 51 5.110 -7.749 -2.040 346 3HG1 VAL 51 HG13 VAL 51 4.411 -8.189 -3.598 347 1HG2 VAL 51 HG21 VAL 51 3.926 -9.610 -0.190 348 2HG2 VAL 51 HG22 VAL 51 2.334 -8.890 0.052 349 3HG2 VAL 51 HG23 VAL 51 3.768 -7.864 0.004 350 H LEU 52 HN LEU 52 0.381 -8.781 -3.015 351 HA LEU 52 HA LEU 52 -1.734 -7.449 -1.530 352 1HB LEU 52 HB2 LEU 52 -1.563 -8.898 -3.789 353 2HB LEU 52 HB1 LEU 52 -2.002 -10.193 -2.685 354 HG LEU 52 HG LEU 52 -4.028 -9.225 -3.649 355 1HD1 LEU 52 HD11 LEU 52 -3.804 -8.132 -0.845 356 2HD1 LEU 52 HD12 LEU 52 -3.883 -9.863 -1.167 357 3HD1 LEU 52 HD13 LEU 52 -5.223 -8.816 -1.637 358 1HD2 LEU 52 HD21 LEU 52 -2.588 -6.869 -3.653 359 2HD2 LEU 52 HD22 LEU 52 -3.757 -6.599 -2.360 360 3HD2 LEU 52 HD23 LEU 52 -4.314 -7.001 -3.983 361 H TYR 53 HN TYR 53 -2.043 -7.782 0.634 362 HA TYR 53 HA TYR 53 -0.760 -9.818 2.172 363 1HB TYR 53 HB2 TYR 53 -1.734 -7.567 2.880 364 2HB TYR 53 HB1 TYR 53 -3.324 -8.327 2.818 365 HD1 TYR 53 HD1 TYR 53 0.098 -8.951 4.235 366 HD2 TYR 53 HD2 TYR 53 -4.149 -9.318 4.758 367 HE1 TYR 53 HE1 TYR 53 0.458 -9.893 6.501 368 HE2 TYR 53 HE2 TYR 53 -3.789 -10.261 7.023 369 HH TYR 53 HH TYR 53 -1.506 -11.618 8.105 370 H GLU 54 HN GLU 54 -1.187 -11.958 1.656 371 HA GLU 54 HA GLU 54 -4.002 -12.884 1.989 372 1HB GLU 54 HB2 GLU 54 -2.299 -12.889 -0.440 373 2HB GLU 54 HB1 GLU 54 -3.120 -14.413 -0.107 374 1HG GLU 54 HG2 GLU 54 -5.201 -12.818 0.300 375 2HG GLU 54 HG1 GLU 54 -4.287 -11.728 -0.742 376 H GLU 55 HN GLU 55 -3.587 -14.120 3.835 377 HA GLU 55 HA GLU 55 -1.717 -16.415 3.489 378 1HB GLU 55 HB2 GLU 55 -1.487 -14.079 5.296 379 2HB GLU 55 HB1 GLU 55 -1.250 -15.637 6.086 380 1HG GLU 55 HG2 GLU 55 0.847 -15.663 5.260 381 2HG GLU 55 HG1 GLU 55 0.155 -15.794 3.643 382 H LYS 56 HN LYS 56 -2.533 -18.278 4.428 383 HA LYS 56 HA LYS 56 -5.105 -18.015 5.933 384 1HB LYS 56 HB1 LYS 56 -4.052 -19.683 3.812 385 2HB LYS 56 HB2 LYS 56 -4.566 -20.693 5.163 386 1HG LYS 56 HG2 LYS 56 -6.459 -18.535 4.591 387 2HG LYS 56 HG1 LYS 56 -6.236 -19.621 3.220 388 1HD LYS 56 HD1 LYS 56 -6.727 -21.557 4.641 389 2HD LYS 56 HD2 LYS 56 -6.873 -20.508 6.051 390 1HE LYS 56 HE1 LYS 56 -8.565 -19.527 3.910 391 2HE LYS 56 HE2 LYS 56 -8.943 -21.223 4.274 392 1HZ LYS 56 HZ1 LYS 56 -8.472 -19.243 6.423 393 2HZ LYS 56 HZ2 LYS 56 -9.264 -20.741 6.523 394 3HZ LYS 56 HZ3 LYS 56 -10.013 -19.435 5.739 Start of MODEL 7 1 H ALA 1 HT1 ALA 1 -14.871 -1.811 -2.437 2 HA ALA 1 HA ALA 1 -14.618 -3.167 -0.432 3 1HB ALA 1 HB1 ALA 1 -12.977 -5.231 -1.304 4 2HB ALA 1 HB2 ALA 1 -14.157 -5.096 -2.607 5 3HB ALA 1 HB3 ALA 1 -14.698 -5.388 -0.955 6 H TYR 2 HN TYR 2 -12.360 -3.537 0.573 7 HA TYR 2 HA TYR 2 -10.326 -1.862 -0.868 8 1HB TYR 2 HB2 TYR 2 -11.188 -2.023 2.035 9 2HB TYR 2 HB1 TYR 2 -9.696 -1.225 1.541 10 HD1 TYR 2 HD1 TYR 2 -12.833 -0.441 2.526 11 HD2 TYR 2 HD2 TYR 2 -10.280 0.170 -0.873 12 HE1 TYR 2 HE1 TYR 2 -14.118 1.593 1.926 13 HE2 TYR 2 HE2 TYR 2 -11.565 2.204 -1.474 14 HH TYR 2 HH TYR 2 -14.572 2.969 -0.027 15 H LEU 3 HN LEU 3 -8.253 -2.680 -0.925 16 HA LEU 3 HA LEU 3 -7.853 -5.417 0.207 17 1HB LEU 3 HB1 LEU 3 -7.196 -3.962 -2.231 18 2HB LEU 3 HB2 LEU 3 -5.756 -4.695 -1.527 19 HG LEU 3 HG LEU 3 -7.046 -6.858 -1.351 20 1HD1 LEU 3 HD21 LEU 3 -8.977 -5.610 -3.299 21 2HD1 LEU 3 HD22 LEU 3 -9.280 -5.539 -1.563 22 3HD1 LEU 3 HD23 LEU 3 -9.154 -7.101 -2.373 23 1HD2 LEU 3 HD11 LEU 3 -7.248 -6.697 -4.149 24 2HD2 LEU 3 HD12 LEU 3 -5.843 -7.226 -3.223 25 3HD2 LEU 3 HD13 LEU 3 -5.992 -5.538 -3.712 26 H LYS 4 HN LYS 4 -5.342 -5.760 0.612 27 HA LYS 4 HA LYS 4 -4.186 -3.415 2.059 28 1HB LYS 4 HB1 LYS 4 -4.594 -6.236 3.125 29 2HB LYS 4 HB2 LYS 4 -3.762 -4.940 3.986 30 1HG LYS 4 HG2 LYS 4 -5.849 -3.575 3.867 31 2HG LYS 4 HG1 LYS 4 -6.667 -4.943 3.113 32 1HD LYS 4 HD2 LYS 4 -6.514 -6.261 5.065 33 2HD LYS 4 HD1 LYS 4 -5.240 -5.253 5.752 34 1HE LYS 4 HE1 LYS 4 -6.855 -3.392 6.023 35 2HE LYS 4 HE2 LYS 4 -8.136 -4.414 5.344 36 1HZ LYS 4 HZ1 LYS 4 -8.276 -4.747 7.649 37 2HZ LYS 4 HZ2 LYS 4 -6.590 -4.809 7.842 38 3HZ LYS 4 HZ3 LYS 4 -7.407 -6.096 7.094 39 H TRP 5 HN TRP 5 -1.891 -3.426 2.066 40 HA TRP 5 HA TRP 5 -0.596 -5.706 0.594 41 1HB TRP 5 HB2 TRP 5 0.009 -2.729 0.438 42 2HB TRP 5 HB1 TRP 5 0.779 -3.992 -0.519 43 HD1 TRP 5 HD1 TRP 5 -2.783 -2.619 0.109 44 HE1 TRP 5 HE1 TRP 5 -4.096 -2.767 -2.101 45 HE3 TRP 5 HE3 TRP 5 0.717 -4.886 -2.837 46 HZ2 TRP 5 HZ2 TRP 5 -3.715 -3.731 -4.770 47 HZ3 TRP 5 HZ3 TRP 5 0.217 -5.409 -5.207 48 HH2 TRP 5 HH2 TRP 5 -1.992 -4.834 -6.177 49 H ILE 6 HN ILE 6 1.231 -6.516 1.601 50 HA ILE 6 HA ILE 6 2.275 -4.976 3.949 51 HB ILE 6 HB ILE 6 1.321 -7.100 4.583 52 1HG1 ILE 6 HG12 ILE 6 3.238 -8.276 5.515 53 2HG1 ILE 6 HG11 ILE 6 4.316 -7.502 4.358 54 1HG2 ILE 6 HG21 ILE 6 2.261 -9.226 3.508 55 2HG2 ILE 6 HG22 ILE 6 2.926 -8.177 2.257 56 3HG2 ILE 6 HG23 ILE 6 1.182 -8.261 2.500 57 1HD1 ILE 6 HD11 ILE 6 2.779 -5.494 5.740 58 2HD1 ILE 6 HD12 ILE 6 4.527 -5.711 5.695 59 3HD1 ILE 6 HD13 ILE 6 3.565 -6.548 6.914 60 H CYS 7 HN CYS 7 4.379 -4.318 3.882 61 HA CYS 7 HA CYS 7 5.955 -4.754 1.457 62 1HB CYS 7 HB2 CYS 7 5.763 -2.650 2.904 63 2HB CYS 7 HB1 CYS 7 6.755 -3.488 4.095 64 H ILE 8 HN ILE 8 6.645 -6.923 1.359 65 HA ILE 8 HA ILE 8 7.453 -8.567 3.498 66 HB ILE 8 HB ILE 8 7.004 -9.342 1.228 67 1HG1 ILE 8 HG12 ILE 8 9.854 -10.005 1.330 68 2HG1 ILE 8 HG11 ILE 8 9.007 -10.269 2.851 69 1HG2 ILE 8 HG21 ILE 8 9.034 -7.318 0.662 70 2HG2 ILE 8 HG22 ILE 8 7.747 -7.934 -0.371 71 3HG2 ILE 8 HG23 ILE 8 9.266 -8.820 -0.231 72 1HD1 ILE 8 HD11 ILE 8 8.796 -12.307 1.601 73 2HD1 ILE 8 HD12 ILE 8 8.356 -11.434 0.133 74 3HD1 ILE 8 HD13 ILE 8 7.233 -11.498 1.491 75 H THR 9 HN THR 9 9.098 -5.874 2.075 76 HA THR 9 HA THR 9 11.801 -6.603 2.737 77 HB THR 9 HB THR 9 10.423 -3.915 2.390 78 HG1 THR 9 HG1 THR 9 11.399 -4.223 0.244 79 1HG2 THR 9 HG21 THR 9 13.319 -4.763 2.433 80 2HG2 THR 9 HG22 THR 9 12.546 -3.463 3.340 81 3HG2 THR 9 HG23 THR 9 12.800 -3.298 1.602 82 H CYS 10 HN CYS 10 9.285 -4.764 4.499 83 HA CYS 10 HA CYS 10 11.051 -4.924 6.921 84 1HB CYS 10 HB1 CYS 10 10.077 -2.698 7.511 85 2HB CYS 10 HB2 CYS 10 10.947 -2.658 5.979 86 H GLY 11 HN GLY 11 7.706 -4.942 5.680 87 1HA GLY 11 HA2 GLY 11 6.126 -6.544 6.680 88 2HA GLY 11 HA1 GLY 11 6.915 -6.272 8.234 89 H HIS 12 HN HIS 12 5.775 -3.906 5.810 90 HA HIS 12 HA HIS 12 4.127 -2.652 7.976 91 1HB HIS 12 HB2 HIS 12 6.089 -1.491 6.702 92 2HB HIS 12 HB1 HIS 12 4.956 -1.398 5.354 93 HD1 HIS 12 HD1 HIS 12 5.667 0.029 8.726 94 HD2 HIS 12 HD2 HIS 12 2.670 0.291 5.839 95 HE1 HIS 12 HE1 HIS 12 4.222 2.006 9.370 96 H ILE 13 HN ILE 13 1.930 -2.784 7.734 97 HA ILE 13 HA ILE 13 0.839 -3.878 5.206 98 HB ILE 13 HB ILE 13 -0.222 -3.357 8.002 99 1HG1 ILE 13 HG11 ILE 13 -0.325 -6.042 6.794 100 2HG1 ILE 13 HG12 ILE 13 1.307 -5.402 6.985 101 1HG2 ILE 13 HG21 ILE 13 -1.668 -4.126 5.485 102 2HG2 ILE 13 HG22 ILE 13 -2.207 -3.089 6.806 103 3HG2 ILE 13 HG23 ILE 13 -2.180 -4.841 7.014 104 1HD1 ILE 13 HD11 ILE 13 0.183 -6.710 8.972 105 2HD1 ILE 13 HD12 ILE 13 -0.644 -5.178 9.258 106 3HD1 ILE 13 HD13 ILE 13 1.117 -5.252 9.308 107 H TYR 14 HN TYR 14 -0.300 -2.669 3.766 108 HA TYR 14 HA TYR 14 -0.830 0.200 4.409 109 1HB TYR 14 HB1 TYR 14 0.550 -0.208 2.449 110 2HB TYR 14 HB2 TYR 14 -0.584 -1.414 1.841 111 HD1 TYR 14 HD1 TYR 14 -2.320 -0.769 0.381 112 HD2 TYR 14 HD2 TYR 14 -0.344 2.201 2.773 113 HE1 TYR 14 HE1 TYR 14 -3.564 1.014 -0.808 114 HE2 TYR 14 HE2 TYR 14 -1.591 3.987 1.584 115 HH TYR 14 HH TYR 14 -4.273 3.340 -0.400 116 H ASP 15 HN ASP 15 -2.925 0.665 4.924 117 HA ASP 15 HA ASP 15 -5.059 -1.276 4.193 118 1HB ASP 15 HB1 ASP 15 -5.038 1.132 6.053 119 2HB ASP 15 HB2 ASP 15 -6.296 -0.100 5.963 120 H GLU 16 HN GLU 16 -5.817 -0.777 2.156 121 HA GLU 16 HA GLU 16 -5.799 1.632 0.769 122 1HB GLU 16 HB2 GLU 16 -7.383 -0.873 0.822 123 2HB GLU 16 HB1 GLU 16 -8.156 0.472 -0.013 124 1HG GLU 16 HG2 GLU 16 -6.903 -0.391 -1.755 125 2HG GLU 16 HG1 GLU 16 -5.728 0.737 -1.079 126 H ALA 17 HN ALA 17 -7.880 0.746 3.454 127 HA ALA 17 HA ALA 17 -9.769 2.955 2.955 128 1HB ALA 17 HB1 ALA 17 -10.106 0.552 3.994 129 2HB ALA 17 HB2 ALA 17 -11.004 1.915 4.662 130 3HB ALA 17 HB3 ALA 17 -9.557 1.327 5.480 131 H LEU 18 HN LEU 18 -6.705 3.174 3.822 132 HA LEU 18 HA LEU 18 -6.987 5.641 5.272 133 1HB LEU 18 HB1 LEU 18 -7.575 3.587 6.865 134 2HB LEU 18 HB2 LEU 18 -5.821 3.464 6.984 135 HG LEU 18 HG LEU 18 -7.340 6.043 7.456 136 1HD1 LEU 18 HD11 LEU 18 -6.116 4.595 9.734 137 2HD1 LEU 18 HD12 LEU 18 -7.570 3.858 9.062 138 3HD1 LEU 18 HD13 LEU 18 -7.619 5.515 9.662 139 1HD2 LEU 18 HD21 LEU 18 -5.092 6.563 6.976 140 2HD2 LEU 18 HD22 LEU 18 -4.491 5.114 7.784 141 3HD2 LEU 18 HD23 LEU 18 -5.112 6.462 8.738 142 H GLY 19 HN GLY 19 -5.492 5.634 3.224 143 1HA GLY 19 HA1 GLY 19 -2.897 4.440 3.335 144 2HA GLY 19 HA2 GLY 19 -3.332 5.823 2.333 145 H ASP 20 HN ASP 20 -1.699 7.261 2.744 146 HA ASP 20 HA ASP 20 -1.037 7.855 5.601 147 1HB ASP 20 HB2 ASP 20 0.814 6.977 4.305 148 2HB ASP 20 HB1 ASP 20 0.467 8.073 2.969 149 H GLU 21 HN GLU 21 -0.590 10.173 6.058 150 HA GLU 21 HA GLU 21 -2.438 11.941 4.539 151 1HB GLU 21 HB2 GLU 21 -2.223 11.492 7.152 152 2HB GLU 21 HB1 GLU 21 -0.945 12.703 7.035 153 1HG GLU 21 HG2 GLU 21 -2.450 14.357 6.216 154 2HG GLU 21 HG1 GLU 21 -3.700 13.161 5.876 155 H ALA 22 HN ALA 22 0.973 11.506 5.276 156 HA ALA 22 HA ALA 22 1.809 14.151 4.382 157 1HB ALA 22 HB1 ALA 22 3.507 11.653 4.472 158 2HB ALA 22 HB2 ALA 22 2.928 12.392 5.964 159 3HB ALA 22 HB3 ALA 22 3.968 13.307 4.873 160 H GLU 23 HN GLU 23 1.323 11.007 2.859 161 HA GLU 23 HA GLU 23 2.656 11.825 0.366 162 1HB GLU 23 HB2 GLU 23 1.110 9.393 1.319 163 2HB GLU 23 HB1 GLU 23 1.872 9.504 -0.262 164 1HG GLU 23 HG2 GLU 23 3.510 10.117 2.168 165 2HG GLU 23 HG1 GLU 23 3.177 8.431 1.774 166 H GLY 24 HN GLY 24 -0.060 12.978 1.538 167 1HA GLY 24 HA2 GLY 24 -2.056 13.782 0.607 168 2HA GLY 24 HA1 GLY 24 -1.261 13.610 -0.957 169 H PHE 25 HN PHE 25 -1.689 10.861 1.188 170 HA PHE 25 HA PHE 25 -3.269 9.490 -0.880 171 1HB PHE 25 HB1 PHE 25 -1.543 8.944 1.417 172 2HB PHE 25 HB2 PHE 25 -2.985 7.948 1.454 173 HD1 PHE 25 HD1 PHE 25 -1.634 5.937 1.120 174 HD2 PHE 25 HD2 PHE 25 -1.629 9.103 -1.779 175 HE1 PHE 25 HE1 PHE 25 -0.604 4.412 -0.545 176 HE2 PHE 25 HE2 PHE 25 -0.598 7.582 -3.441 177 HZ PHE 25 HZ PHE 25 -0.082 5.238 -2.822 178 H THR 26 HN THR 26 -5.219 10.885 -0.635 179 HA THR 26 HA THR 26 -6.698 11.413 1.650 180 HB THR 26 HB THR 26 -7.126 12.094 -0.718 181 HG1 THR 26 HG1 THR 26 -8.759 12.299 0.870 182 1HG2 THR 26 HG21 THR 26 -8.302 9.310 -0.940 183 2HG2 THR 26 HG22 THR 26 -6.813 9.849 -1.714 184 3HG2 THR 26 HG23 THR 26 -8.357 10.559 -2.185 185 HA PRO 27 HA PRO 27 -7.980 7.623 3.459 186 1HB PRO 27 HB2 PRO 27 -10.713 8.779 3.694 187 2HB PRO 27 HB1 PRO 27 -9.634 8.182 4.967 188 1HG PRO 27 HG1 PRO 27 -10.096 10.798 4.582 189 2HG PRO 27 HG2 PRO 27 -8.542 10.182 5.160 190 1HD PRO 27 HD2 PRO 27 -9.288 11.221 2.478 191 2HD PRO 27 HD1 PRO 27 -7.734 11.303 3.335 192 H GLY 28 HN GLY 28 -8.083 6.068 1.834 193 1HA GLY 28 HA2 GLY 28 -9.865 4.553 0.861 194 2HA GLY 28 HA1 GLY 28 -10.581 6.016 0.186 195 H THR 29 HN THR 29 -7.112 5.323 0.323 196 HA THR 29 HA THR 29 -6.958 5.688 -2.611 197 HB THR 29 HB THR 29 -4.835 5.249 -0.476 198 HG1 THR 29 HG1 THR 29 -5.421 7.177 0.076 199 1HG2 THR 29 HG21 THR 29 -3.368 6.371 -2.176 200 2HG2 THR 29 HG22 THR 29 -4.707 6.293 -3.322 201 3HG2 THR 29 HG23 THR 29 -3.983 4.807 -2.710 202 H ARG 30 HN ARG 30 -6.603 4.010 -4.023 203 HA ARG 30 HA ARG 30 -6.310 1.272 -2.858 204 1HB ARG 30 HB2 ARG 30 -7.716 2.550 -5.118 205 2HB ARG 30 HB1 ARG 30 -6.946 1.021 -5.534 206 1HG ARG 30 HG2 ARG 30 -9.062 0.345 -4.759 207 2HG ARG 30 HG1 ARG 30 -8.041 0.143 -3.335 208 1HD ARG 30 HD2 ARG 30 -9.812 1.359 -2.413 209 2HD ARG 30 HD1 ARG 30 -8.755 2.692 -2.918 210 HE ARG 30 HE ARG 30 -10.312 3.188 -4.630 211 1HH1 ARG 30 HH22 ARG 30 -10.792 -0.042 -3.424 212 2HH1 ARG 30 HH21 ARG 30 -12.217 -0.302 -4.368 213 1HH2 ARG 30 HH11 ARG 30 -12.165 2.828 -5.846 214 2HH2 ARG 30 HH12 ARG 30 -12.990 1.309 -5.730 215 H PHE 31 HN PHE 31 -4.480 0.073 -3.333 216 HA PHE 31 HA PHE 31 -2.080 1.181 -4.260 217 1HB PHE 31 HB1 PHE 31 -3.075 -1.277 -3.374 218 2HB PHE 31 HB2 PHE 31 -2.442 -1.636 -4.980 219 HD1 PHE 31 HD1 PHE 31 -0.231 -2.344 -5.030 220 HD2 PHE 31 HD2 PHE 31 -1.444 0.500 -2.047 221 HE1 PHE 31 HE1 PHE 31 2.079 -2.304 -4.130 222 HE2 PHE 31 HE2 PHE 31 0.867 0.540 -1.147 223 HZ PHE 31 HZ PHE 31 2.628 -0.862 -2.188 224 H GLU 32 HN GLU 32 -4.469 -0.694 -6.160 225 HA GLU 32 HA GLU 32 -3.146 -0.702 -8.648 226 1HB GLU 32 HB1 GLU 32 -5.176 -1.958 -8.114 227 2HB GLU 32 HB2 GLU 32 -6.090 -0.459 -7.938 228 1HG GLU 32 HG2 GLU 32 -6.306 -0.189 -10.189 229 2HG GLU 32 HG1 GLU 32 -4.659 -0.733 -10.507 230 H ASP 33 HN ASP 33 -5.268 1.800 -7.238 231 HA ASP 33 HA ASP 33 -5.109 3.539 -9.575 232 1HB ASP 33 HB2 ASP 33 -6.776 3.244 -7.448 233 2HB ASP 33 HB1 ASP 33 -5.793 4.588 -6.870 234 H ILE 34 HN ILE 34 -3.222 3.060 -6.668 235 HA ILE 34 HA ILE 34 -1.926 5.629 -6.583 236 HB ILE 34 HB ILE 34 -1.295 2.837 -5.581 237 1HG1 ILE 34 HG12 ILE 34 -2.022 5.313 -4.014 238 2HG1 ILE 34 HG11 ILE 34 -3.254 4.258 -4.705 239 1HG2 ILE 34 HG21 ILE 34 0.821 4.123 -5.883 240 2HG2 ILE 34 HG22 ILE 34 0.458 3.819 -4.184 241 3HG2 ILE 34 HG23 ILE 34 0.153 5.411 -4.879 242 1HD1 ILE 34 HD11 ILE 34 -2.882 2.623 -3.168 243 2HD1 ILE 34 HD12 ILE 34 -2.116 3.905 -2.230 244 3HD1 ILE 34 HD13 ILE 34 -1.132 2.836 -3.231 245 HA PRO 35 HA PRO 35 0.489 4.891 -10.316 246 1HB PRO 35 HB2 PRO 35 1.894 7.368 -9.501 247 2HB PRO 35 HB1 PRO 35 0.999 7.028 -10.992 248 1HG PRO 35 HG2 PRO 35 0.074 8.680 -9.073 249 2HG PRO 35 HG1 PRO 35 -0.989 7.715 -10.107 250 1HD PRO 35 HD2 PRO 35 -0.218 7.294 -7.263 251 2HD PRO 35 HD1 PRO 35 -1.751 6.942 -8.087 252 H ASP 36 HN ASP 36 3.211 6.006 -10.220 253 HA ASP 36 HA ASP 36 4.438 3.946 -8.449 254 1HB ASP 36 HB1 ASP 36 5.124 5.422 -10.967 255 2HB ASP 36 HB2 ASP 36 6.454 4.827 -9.974 256 H ASP 37 HN ASP 37 4.075 7.388 -8.779 257 HA ASP 37 HA ASP 37 6.376 8.436 -7.574 258 1HB ASP 37 HB2 ASP 37 3.467 9.202 -7.164 259 2HB ASP 37 HB1 ASP 37 4.848 10.264 -6.892 260 H TRP 38 HN TRP 38 3.532 6.979 -5.993 261 HA TRP 38 HA TRP 38 4.352 7.545 -3.292 262 1HB TRP 38 HB1 TRP 38 2.056 6.985 -3.976 263 2HB TRP 38 HB2 TRP 38 2.585 5.393 -4.518 264 HD1 TRP 38 HD1 TRP 38 2.055 7.456 -1.338 265 HE1 TRP 38 HE1 TRP 38 1.920 5.851 0.675 266 HE3 TRP 38 HE3 TRP 38 3.243 3.056 -3.639 267 HZ2 TRP 38 HZ2 TRP 38 2.269 3.069 1.234 268 HZ3 TRP 38 HZ3 TRP 38 3.334 0.946 -2.344 269 HH2 TRP 38 HH2 TRP 38 2.849 0.946 0.087 270 H CYS 39 HN CYS 39 5.025 5.827 -1.720 271 HA CYS 39 HA CYS 39 6.319 3.408 -2.763 272 1HB CYS 39 HB2 CYS 39 8.590 4.182 -2.035 273 2HB CYS 39 HB1 CYS 39 7.938 5.159 -3.342 274 HG CYS 39 HG CYS 39 8.594 6.178 -0.570 275 H CYS 40 HN CYS 40 8.083 3.006 -0.609 276 HA CYS 40 HA CYS 40 6.158 2.445 1.557 277 1HB CYS 40 HB1 CYS 40 8.161 1.039 0.447 278 2HB CYS 40 HB2 CYS 40 9.083 1.840 1.719 279 HA PRO 41 HA PRO 41 7.483 6.236 3.577 280 1HB PRO 41 HB2 PRO 41 6.121 5.729 5.952 281 2HB PRO 41 HB1 PRO 41 5.404 6.503 4.528 282 1HG PRO 41 HG1 PRO 41 5.203 3.691 5.469 283 2HG PRO 41 HG2 PRO 41 3.990 4.707 4.677 284 1HD PRO 41 HD2 PRO 41 5.358 2.752 3.384 285 2HD PRO 41 HD1 PRO 41 4.771 4.219 2.573 286 H ASP 42 HN ASP 42 8.061 2.972 4.511 287 HA ASP 42 HA ASP 42 9.839 3.795 6.761 288 1HB ASP 42 HB2 ASP 42 8.598 1.214 5.779 289 2HB ASP 42 HB1 ASP 42 9.864 1.214 7.007 290 H CYS 43 HN CYS 43 9.896 2.457 3.509 291 HA CYS 43 HA CYS 43 12.867 2.116 3.736 292 1HB CYS 43 HB1 CYS 43 10.736 0.856 1.976 293 2HB CYS 43 HB2 CYS 43 12.462 0.607 1.722 294 H GLY 44 HN GLY 44 10.716 2.508 0.926 295 1HA GLY 44 HA2 GLY 44 10.658 4.840 -0.120 296 2HA GLY 44 HA1 GLY 44 12.408 4.826 0.095 297 H ALA 45 HN ALA 45 10.327 2.140 -0.965 298 HA ALA 45 HA ALA 45 11.816 2.171 -3.572 299 1HB ALA 45 HB1 ALA 45 10.740 -0.407 -2.751 300 2HB ALA 45 HB2 ALA 45 11.754 0.282 -1.483 301 3HB ALA 45 HB3 ALA 45 12.412 0.033 -3.100 302 H THR 46 HN THR 46 10.452 0.478 -5.085 303 HA THR 46 HA THR 46 7.865 1.797 -5.514 304 HB THR 46 HB THR 46 7.935 -0.025 -7.416 305 HG1 THR 46 HG1 THR 46 9.876 -0.977 -7.683 306 1HG2 THR 46 HG21 THR 46 8.372 2.307 -7.875 307 2HG2 THR 46 HG22 THR 46 9.643 1.357 -8.645 308 3HG2 THR 46 HG23 THR 46 9.968 2.200 -7.131 309 H LYS 47 HN LYS 47 6.262 -0.223 -6.459 310 HA LYS 47 HA LYS 47 5.200 -1.419 -4.056 311 1HB LYS 47 HB1 LYS 47 4.720 -1.893 -7.022 312 2HB LYS 47 HB2 LYS 47 3.679 -2.504 -5.735 313 1HG LYS 47 HG1 LYS 47 3.106 -0.273 -5.035 314 2HG LYS 47 HG2 LYS 47 4.338 0.433 -6.082 315 1HD LYS 47 HD2 LYS 47 2.098 -1.252 -7.205 316 2HD LYS 47 HD1 LYS 47 1.896 0.478 -6.928 317 1HE LYS 47 HE2 LYS 47 4.255 0.540 -8.241 318 2HE LYS 47 HE1 LYS 47 3.565 -0.929 -8.958 319 1HZ LYS 47 HZ1 LYS 47 1.596 0.233 -9.537 320 2HZ LYS 47 HZ2 LYS 47 2.883 1.212 -10.055 321 3HZ LYS 47 HZ3 LYS 47 2.041 1.600 -8.633 322 H GLU 48 HN GLU 48 7.816 -2.333 -6.058 323 HA GLU 48 HA GLU 48 7.677 -5.122 -6.280 324 1HB GLU 48 HB2 GLU 48 9.541 -3.086 -6.597 325 2HB GLU 48 HB1 GLU 48 10.264 -4.083 -5.333 326 1HG GLU 48 HG2 GLU 48 9.832 -6.095 -6.806 327 2HG GLU 48 HG1 GLU 48 9.372 -4.975 -8.088 328 H ASP 49 HN ASP 49 8.687 -3.195 -3.448 329 HA ASP 49 HA ASP 49 9.220 -5.527 -1.786 330 1HB ASP 49 HB1 ASP 49 9.454 -3.767 -0.047 331 2HB ASP 49 HB2 ASP 49 10.303 -3.312 -1.524 332 H TYR 50 HN TYR 50 6.390 -3.672 -2.612 333 HA TYR 50 HA TYR 50 4.865 -4.625 -0.259 334 1HB TYR 50 HB1 TYR 50 4.690 -2.576 -2.380 335 2HB TYR 50 HB2 TYR 50 3.142 -3.315 -1.974 336 HD1 TYR 50 HD1 TYR 50 5.517 -0.840 -1.041 337 HD2 TYR 50 HD2 TYR 50 2.604 -3.550 0.569 338 HE1 TYR 50 HE1 TYR 50 5.392 0.526 1.027 339 HE2 TYR 50 HE2 TYR 50 2.477 -2.187 2.639 340 HH TYR 50 HH TYR 50 3.544 0.892 2.878 341 H VAL 51 HN VAL 51 3.549 -6.403 -0.347 342 HA VAL 51 HA VAL 51 2.879 -7.522 -3.051 343 HB VAL 51 HB VAL 51 3.085 -9.747 -1.915 344 1HG1 VAL 51 HG11 VAL 51 5.678 -9.193 -1.244 345 2HG1 VAL 51 HG12 VAL 51 5.281 -7.799 -2.250 346 3HG1 VAL 51 HG13 VAL 51 5.116 -9.432 -2.898 347 1HG2 VAL 51 HG21 VAL 51 2.567 -8.746 0.379 348 2HG2 VAL 51 HG22 VAL 51 4.242 -8.196 0.410 349 3HG2 VAL 51 HG23 VAL 51 3.882 -9.919 0.333 350 H LEU 52 HN LEU 52 0.839 -8.838 -3.019 351 HA LEU 52 HA LEU 52 -1.253 -7.462 -1.497 352 1HB LEU 52 HB2 LEU 52 -1.094 -8.472 -3.958 353 2HB LEU 52 HB1 LEU 52 -1.699 -9.914 -3.145 354 HG LEU 52 HG LEU 52 -3.045 -7.370 -2.434 355 1HD1 LEU 52 HD21 LEU 52 -3.621 -8.694 -5.091 356 2HD1 LEU 52 HD22 LEU 52 -2.620 -7.250 -4.935 357 3HD1 LEU 52 HD23 LEU 52 -4.317 -7.203 -4.455 358 1HD2 LEU 52 HD11 LEU 52 -4.978 -8.796 -2.363 359 2HD2 LEU 52 HD12 LEU 52 -3.647 -9.694 -1.636 360 3HD2 LEU 52 HD13 LEU 52 -4.154 -10.053 -3.286 361 H TYR 53 HN TYR 53 -1.827 -8.113 0.528 362 HA TYR 53 HA TYR 53 -0.953 -10.647 1.662 363 1HB TYR 53 HB2 TYR 53 -1.478 -8.235 2.659 364 2HB TYR 53 HB1 TYR 53 -3.101 -8.902 2.837 365 HD1 TYR 53 HD1 TYR 53 -3.166 -11.367 3.868 366 HD2 TYR 53 HD2 TYR 53 0.033 -8.556 4.389 367 HE1 TYR 53 HE1 TYR 53 -2.438 -12.572 5.910 368 HE2 TYR 53 HE2 TYR 53 0.764 -9.754 6.430 369 HH TYR 53 HH TYR 53 -0.132 -12.803 7.184 370 H GLU 54 HN GLU 54 -1.971 -12.532 1.075 371 HA GLU 54 HA GLU 54 -4.786 -12.514 0.192 372 1HB GLU 54 HB2 GLU 54 -4.256 -14.896 -0.287 373 2HB GLU 54 HB1 GLU 54 -3.015 -13.828 -0.942 374 1HG GLU 54 HG2 GLU 54 -2.335 -14.462 1.772 375 2HG GLU 54 HG1 GLU 54 -2.680 -15.964 0.914 376 H GLU 55 HN GLU 55 -6.473 -13.611 1.304 377 HA GLU 55 HA GLU 55 -5.980 -14.014 4.215 378 1HB GLU 55 HB2 GLU 55 -8.375 -13.541 2.427 379 2HB GLU 55 HB1 GLU 55 -8.582 -14.064 4.099 380 1HG GLU 55 HG1 GLU 55 -7.749 -12.081 4.967 381 2HG GLU 55 HG2 GLU 55 -6.762 -11.751 3.542 382 H LYS 56 HN LYS 56 -4.849 -16.110 2.998 383 HA LYS 56 HA LYS 56 -6.718 -18.339 3.580 384 1HB LYS 56 HB2 LYS 56 -6.129 -17.359 0.968 385 2HB LYS 56 HB1 LYS 56 -5.296 -18.904 1.135 386 1HG LYS 56 HG2 LYS 56 -7.268 -20.091 1.428 387 2HG LYS 56 HG1 LYS 56 -8.127 -18.700 2.089 388 1HD LYS 56 HD1 LYS 56 -7.196 -18.701 -0.776 389 2HD LYS 56 HD2 LYS 56 -8.711 -19.485 -0.328 390 1HE LYS 56 HE1 LYS 56 -9.379 -17.302 0.806 391 2HE LYS 56 HE2 LYS 56 -7.968 -16.564 0.025 392 1HZ LYS 56 HZ1 LYS 56 -10.031 -18.143 -1.421 393 2HZ LYS 56 HZ2 LYS 56 -8.772 -17.232 -2.105 394 3HZ LYS 56 HZ3 LYS 56 -10.054 -16.448 -1.317 Start of MODEL 8 1 H ALA 1 HT1 ALA 1 -15.754 -3.261 -1.290 2 HA ALA 1 HA ALA 1 -13.949 -3.589 0.291 3 1HB ALA 1 HB1 ALA 1 -14.539 -5.641 -0.557 4 2HB ALA 1 HB2 ALA 1 -12.966 -5.550 -1.349 5 3HB ALA 1 HB3 ALA 1 -14.424 -5.087 -2.227 6 H TYR 2 HN TYR 2 -11.997 -2.670 0.779 7 HA TYR 2 HA TYR 2 -10.217 -1.773 -1.423 8 1HB TYR 2 HB2 TYR 2 -10.469 -1.303 1.554 9 2HB TYR 2 HB1 TYR 2 -9.036 -0.772 0.672 10 HD1 TYR 2 HD1 TYR 2 -12.283 0.158 1.698 11 HD2 TYR 2 HD2 TYR 2 -9.552 0.520 -1.598 12 HE1 TYR 2 HE1 TYR 2 -13.516 2.155 0.896 13 HE2 TYR 2 HE2 TYR 2 -10.785 2.517 -2.400 14 HH TYR 2 HH TYR 2 -13.250 4.046 -0.483 15 H LEU 3 HN LEU 3 -8.321 -2.808 -1.894 16 HA LEU 3 HA LEU 3 -7.725 -5.382 -0.683 17 1HB LEU 3 HB1 LEU 3 -6.949 -3.708 -2.947 18 2HB LEU 3 HB2 LEU 3 -5.550 -4.507 -2.231 19 HG LEU 3 HG LEU 3 -6.884 -6.667 -2.310 20 1HD1 LEU 3 HD21 LEU 3 -9.077 -5.334 -2.603 21 2HD1 LEU 3 HD22 LEU 3 -8.876 -6.784 -3.588 22 3HD1 LEU 3 HD23 LEU 3 -8.611 -5.191 -4.298 23 1HD2 LEU 3 HD11 LEU 3 -5.191 -5.667 -4.089 24 2HD2 LEU 3 HD12 LEU 3 -6.637 -5.595 -5.096 25 3HD2 LEU 3 HD13 LEU 3 -6.094 -7.140 -4.441 26 H LYS 4 HN LYS 4 -5.530 -5.872 0.231 27 HA LYS 4 HA LYS 4 -4.340 -3.540 1.693 28 1HB LYS 4 HB1 LYS 4 -5.453 -6.156 2.616 29 2HB LYS 4 HB2 LYS 4 -4.009 -5.570 3.441 30 1HG LYS 4 HG2 LYS 4 -5.122 -3.840 4.428 31 2HG LYS 4 HG1 LYS 4 -6.108 -3.533 2.998 32 1HD LYS 4 HD1 LYS 4 -6.523 -5.943 4.781 33 2HD LYS 4 HD2 LYS 4 -7.366 -4.415 5.035 34 1HE LYS 4 HE2 LYS 4 -8.365 -4.545 2.809 35 2HE LYS 4 HE1 LYS 4 -7.430 -6.008 2.446 36 1HZ LYS 4 HZ1 LYS 4 -9.649 -6.569 3.259 37 2HZ LYS 4 HZ2 LYS 4 -9.369 -5.688 4.683 38 3HZ LYS 4 HZ3 LYS 4 -8.462 -7.087 4.356 39 H TRP 5 HN TRP 5 -2.100 -3.501 1.626 40 HA TRP 5 HA TRP 5 -0.749 -5.866 0.357 41 1HB TRP 5 HB2 TRP 5 0.058 -2.932 0.389 42 2HB TRP 5 HB1 TRP 5 0.805 -4.210 -0.566 43 HD1 TRP 5 HD1 TRP 5 -2.651 -2.529 -0.166 44 HE1 TRP 5 HE1 TRP 5 -3.802 -2.502 -2.468 45 HE3 TRP 5 HE3 TRP 5 0.822 -5.071 -2.911 46 HZ2 TRP 5 HZ2 TRP 5 -3.316 -3.443 -5.130 47 HZ3 TRP 5 HZ3 TRP 5 0.453 -5.492 -5.325 48 HH2 TRP 5 HH2 TRP 5 -1.608 -4.683 -6.437 49 H ILE 6 HN ILE 6 1.647 -5.968 1.011 50 HA ILE 6 HA ILE 6 2.190 -4.934 3.743 51 HB ILE 6 HB ILE 6 1.189 -7.103 4.137 52 1HG1 ILE 6 HG12 ILE 6 3.004 -8.332 5.174 53 2HG1 ILE 6 HG11 ILE 6 4.190 -7.537 4.144 54 1HG2 ILE 6 HG21 ILE 6 1.145 -8.427 2.284 55 2HG2 ILE 6 HG22 ILE 6 2.682 -9.039 2.898 56 3HG2 ILE 6 HG23 ILE 6 2.663 -7.774 1.669 57 1HD1 ILE 6 HD11 ILE 6 3.271 -6.682 6.680 58 2HD1 ILE 6 HD12 ILE 6 2.607 -5.547 5.508 59 3HD1 ILE 6 HD13 ILE 6 4.346 -5.815 5.584 60 H CYS 7 HN CYS 7 4.331 -4.373 3.963 61 HA CYS 7 HA CYS 7 6.078 -4.629 1.612 62 1HB CYS 7 HB2 CYS 7 5.717 -2.617 3.205 63 2HB CYS 7 HB1 CYS 7 6.740 -3.496 4.341 64 H ILE 8 HN ILE 8 6.675 -6.864 1.526 65 HA ILE 8 HA ILE 8 7.460 -8.525 3.649 66 HB ILE 8 HB ILE 8 7.131 -9.342 1.399 67 1HG1 ILE 8 HG11 ILE 8 10.027 -9.794 1.414 68 2HG1 ILE 8 HG12 ILE 8 9.289 -10.054 2.994 69 1HG2 ILE 8 HG21 ILE 8 9.167 -7.257 0.833 70 2HG2 ILE 8 HG22 ILE 8 7.725 -7.692 -0.079 71 3HG2 ILE 8 HG23 ILE 8 9.173 -8.694 -0.189 72 1HD1 ILE 8 HD11 ILE 8 9.288 -12.117 1.590 73 2HD1 ILE 8 HD12 ILE 8 8.304 -11.271 0.396 74 3HD1 ILE 8 HD13 ILE 8 7.657 -11.591 2.005 75 H THR 9 HN THR 9 9.126 -5.826 2.239 76 HA THR 9 HA THR 9 11.788 -6.501 3.143 77 HB THR 9 HB THR 9 10.370 -3.926 2.357 78 HG1 THR 9 HG1 THR 9 10.544 -5.454 0.716 79 1HG2 THR 9 HG21 THR 9 13.166 -4.474 3.224 80 2HG2 THR 9 HG22 THR 9 12.205 -3.004 3.387 81 3HG2 THR 9 HG23 THR 9 12.952 -3.403 1.839 82 H CYS 10 HN CYS 10 9.005 -4.908 4.600 83 HA CYS 10 HA CYS 10 10.620 -4.462 7.082 84 1HB CYS 10 HB2 CYS 10 8.328 -2.894 5.918 85 2HB CYS 10 HB1 CYS 10 9.130 -2.511 7.434 86 H GLY 11 HN GLY 11 7.262 -4.903 5.916 87 1HA GLY 11 HA2 GLY 11 6.012 -6.867 6.841 88 2HA GLY 11 HA1 GLY 11 6.748 -6.493 8.398 89 H HIS 12 HN HIS 12 5.767 -3.793 6.468 90 HA HIS 12 HA HIS 12 3.596 -3.222 8.423 91 1HB HIS 12 HB1 HIS 12 5.492 -1.736 6.696 92 2HB HIS 12 HB2 HIS 12 3.883 -1.020 6.805 93 HD1 HIS 12 HD1 HIS 12 2.987 -1.078 9.517 94 HD2 HIS 12 HD2 HIS 12 7.078 -0.826 8.751 95 HE1 HIS 12 HE1 HIS 12 4.057 -0.174 11.627 96 H ILE 13 HN ILE 13 1.462 -3.298 7.798 97 HA ILE 13 HA ILE 13 0.866 -4.128 5.028 98 HB ILE 13 HB ILE 13 -0.657 -3.939 7.643 99 1HG1 ILE 13 HG11 ILE 13 -0.614 -6.465 6.179 100 2HG1 ILE 13 HG12 ILE 13 1.009 -5.875 6.533 101 1HG2 ILE 13 HG21 ILE 13 -2.325 -3.416 5.993 102 2HG2 ILE 13 HG22 ILE 13 -2.513 -5.128 6.373 103 3HG2 ILE 13 HG23 ILE 13 -1.701 -4.640 4.886 104 1HD1 ILE 13 HD11 ILE 13 0.578 -5.803 8.876 105 2HD1 ILE 13 HD12 ILE 13 -0.114 -7.333 8.335 106 3HD1 ILE 13 HD13 ILE 13 -1.163 -5.948 8.634 107 H TYR 14 HN TYR 14 -0.082 -2.803 3.527 108 HA TYR 14 HA TYR 14 -0.595 0.027 4.268 109 1HB TYR 14 HB1 TYR 14 0.828 -0.413 2.351 110 2HB TYR 14 HB2 TYR 14 -0.352 -1.529 1.668 111 HD1 TYR 14 HD1 TYR 14 0.053 2.036 2.720 112 HD2 TYR 14 HD2 TYR 14 -1.960 -0.745 0.139 113 HE1 TYR 14 HE1 TYR 14 -1.029 3.926 1.529 114 HE2 TYR 14 HE2 TYR 14 -3.041 1.141 -1.052 115 HH TYR 14 HH TYR 14 -3.659 3.561 -0.478 116 H ASP 15 HN ASP 15 -2.667 0.707 4.608 117 HA ASP 15 HA ASP 15 -4.917 -1.099 3.904 118 1HB ASP 15 HB2 ASP 15 -4.471 -0.005 6.193 119 2HB ASP 15 HB1 ASP 15 -4.952 1.515 5.439 120 H GLU 16 HN GLU 16 -5.414 -0.739 1.733 121 HA GLU 16 HA GLU 16 -5.187 1.574 0.200 122 1HB GLU 16 HB2 GLU 16 -6.999 -0.813 0.291 123 2HB GLU 16 HB1 GLU 16 -7.378 0.469 -0.854 124 1HG GLU 16 HG1 GLU 16 -4.828 0.299 -1.467 125 2HG GLU 16 HG2 GLU 16 -4.951 -1.297 -0.728 126 H ALA 17 HN ALA 17 -7.669 0.786 2.590 127 HA ALA 17 HA ALA 17 -9.271 3.175 1.877 128 1HB ALA 17 HB1 ALA 17 -10.089 1.821 4.284 129 2HB ALA 17 HB2 ALA 17 -9.665 0.612 3.072 130 3HB ALA 17 HB3 ALA 17 -10.890 1.828 2.713 131 H LEU 18 HN LEU 18 -6.443 3.101 3.263 132 HA LEU 18 HA LEU 18 -6.824 5.418 4.917 133 1HB LEU 18 HB1 LEU 18 -7.694 3.122 6.114 134 2HB LEU 18 HB2 LEU 18 -6.014 3.149 6.649 135 HG LEU 18 HG LEU 18 -7.691 5.642 6.821 136 1HD1 LEU 18 HD11 LEU 18 -9.102 4.180 8.018 137 2HD1 LEU 18 HD12 LEU 18 -8.055 4.847 9.272 138 3HD1 LEU 18 HD13 LEU 18 -7.747 3.232 8.633 139 1HD2 LEU 18 HD21 LEU 18 -5.435 6.079 7.312 140 2HD2 LEU 18 HD22 LEU 18 -5.211 4.522 8.111 141 3HD2 LEU 18 HD23 LEU 18 -6.128 5.799 8.910 142 H GLY 19 HN GLY 19 -5.000 5.525 3.172 143 1HA GLY 19 HA1 GLY 19 -2.537 4.126 3.560 144 2HA GLY 19 HA2 GLY 19 -2.710 5.645 2.682 145 H ASP 20 HN ASP 20 -1.111 6.907 3.534 146 HA ASP 20 HA ASP 20 -0.894 7.086 6.516 147 1HB ASP 20 HB2 ASP 20 1.086 6.256 5.324 148 2HB ASP 20 HB1 ASP 20 1.044 7.646 4.240 149 H GLU 21 HN GLU 21 -0.167 9.330 7.260 150 HA GLU 21 HA GLU 21 -1.906 11.371 6.021 151 1HB GLU 21 HB1 GLU 21 -0.391 10.923 8.562 152 2HB GLU 21 HB2 GLU 21 -0.722 12.595 8.110 153 1HG GLU 21 HG1 GLU 21 -3.073 12.242 8.111 154 2HG GLU 21 HG2 GLU 21 -2.888 10.487 8.115 155 H ALA 22 HN ALA 22 1.561 10.978 6.818 156 HA ALA 22 HA ALA 22 2.545 13.420 5.818 157 1HB ALA 22 HB1 ALA 22 3.848 10.697 5.503 158 2HB ALA 22 HB2 ALA 22 3.707 11.504 7.064 159 3HB ALA 22 HB3 ALA 22 4.650 12.245 5.770 160 H GLU 23 HN GLU 23 1.938 10.365 4.054 161 HA GLU 23 HA GLU 23 2.847 11.354 1.499 162 1HB GLU 23 HB2 GLU 23 1.149 9.062 2.499 163 2HB GLU 23 HB1 GLU 23 1.480 9.294 0.785 164 1HG GLU 23 HG1 GLU 23 3.771 8.895 1.033 165 2HG GLU 23 HG2 GLU 23 3.753 9.304 2.748 166 H GLY 24 HN GLY 24 -0.226 11.383 3.224 167 1HA GLY 24 HA2 GLY 24 -2.028 12.889 2.779 168 2HA GLY 24 HA1 GLY 24 -1.299 13.261 1.217 169 H PHE 25 HN PHE 25 -1.768 9.937 2.282 170 HA PHE 25 HA PHE 25 -3.245 9.286 -0.109 171 1HB PHE 25 HB2 PHE 25 -2.159 7.997 2.292 172 2HB PHE 25 HB1 PHE 25 -3.693 7.286 1.810 173 HD1 PHE 25 HD1 PHE 25 -3.420 7.771 -1.219 174 HD2 PHE 25 HD2 PHE 25 -0.737 6.181 1.729 175 HE1 PHE 25 HE1 PHE 25 -2.255 6.466 -2.977 176 HE2 PHE 25 HE2 PHE 25 0.413 4.870 -0.024 177 HZ PHE 25 HZ PHE 25 -0.336 5.019 -2.381 178 H THR 26 HN THR 26 -5.032 10.889 0.051 179 HA THR 26 HA THR 26 -6.887 11.188 2.105 180 HB THR 26 HB THR 26 -6.719 12.398 -0.077 181 HG1 THR 26 HG1 THR 26 -8.988 12.587 -0.338 182 1HG2 THR 26 HG21 THR 26 -7.699 11.427 -2.074 183 2HG2 THR 26 HG22 THR 26 -8.181 9.985 -1.177 184 3HG2 THR 26 HG23 THR 26 -6.472 10.322 -1.452 185 HA PRO 27 HA PRO 27 -8.844 7.303 2.770 186 1HB PRO 27 HB1 PRO 27 -11.399 8.845 2.865 187 2HB PRO 27 HB2 PRO 27 -10.701 7.756 4.076 188 1HG PRO 27 HG2 PRO 27 -10.681 10.418 4.375 189 2HG PRO 27 HG1 PRO 27 -9.367 9.394 4.967 190 1HD PRO 27 HD2 PRO 27 -9.438 11.208 2.620 191 2HD PRO 27 HD1 PRO 27 -8.071 10.743 3.654 192 H GLY 28 HN GLY 28 -8.847 6.162 0.826 193 1HA GLY 28 HA2 GLY 28 -10.702 5.248 -0.694 194 2HA GLY 28 HA1 GLY 28 -10.922 6.926 -1.189 195 H THR 29 HN THR 29 -7.861 5.185 -0.608 196 HA THR 29 HA THR 29 -7.224 5.587 -3.510 197 HB THR 29 HB THR 29 -4.981 5.568 -1.589 198 HG1 THR 29 HG1 THR 29 -5.934 6.869 -0.251 199 1HG2 THR 29 HG21 THR 29 -4.078 7.050 -3.105 200 2HG2 THR 29 HG22 THR 29 -5.619 7.851 -3.399 201 3HG2 THR 29 HG23 THR 29 -5.277 6.295 -4.153 202 H ARG 30 HN ARG 30 -6.703 3.695 -4.519 203 HA ARG 30 HA ARG 30 -5.804 1.392 -2.817 204 1HB ARG 30 HB1 ARG 30 -6.960 0.010 -4.532 205 2HB ARG 30 HB2 ARG 30 -8.064 1.186 -3.818 206 1HG ARG 30 HG1 ARG 30 -6.770 2.453 -6.020 207 2HG ARG 30 HG2 ARG 30 -7.335 0.878 -6.574 208 1HD ARG 30 HD1 ARG 30 -9.082 2.847 -5.054 209 2HD ARG 30 HD2 ARG 30 -9.070 2.692 -6.821 210 HE ARG 30 HE ARG 30 -9.362 0.110 -5.536 211 1HH1 ARG 30 HH22 ARG 30 -11.070 3.008 -6.435 212 2HH1 ARG 30 HH21 ARG 30 -12.600 2.206 -6.537 213 1HH2 ARG 30 HH12 ARG 30 -11.358 -0.907 -5.674 214 2HH2 ARG 30 HH11 ARG 30 -12.763 0.006 -6.108 215 H PHE 31 HN PHE 31 -4.082 0.111 -3.649 216 HA PHE 31 HA PHE 31 -1.951 1.299 -4.997 217 1HB PHE 31 HB1 PHE 31 -2.723 -1.232 -4.005 218 2HB PHE 31 HB2 PHE 31 -2.228 -1.522 -5.671 219 HD1 PHE 31 HD1 PHE 31 -1.051 0.814 -2.971 220 HD2 PHE 31 HD2 PHE 31 -0.032 -2.277 -5.773 221 HE1 PHE 31 HE1 PHE 31 1.322 0.984 -2.294 222 HE2 PHE 31 HE2 PHE 31 2.347 -2.107 -5.093 223 HZ PHE 31 HZ PHE 31 3.025 -0.477 -3.352 224 H GLU 32 HN GLU 32 -4.660 -0.527 -6.444 225 HA GLU 32 HA GLU 32 -3.735 -0.575 -9.133 226 1HB GLU 32 HB1 GLU 32 -5.623 -1.876 -8.310 227 2HB GLU 32 HB2 GLU 32 -6.509 -0.407 -7.905 228 1HG GLU 32 HG2 GLU 32 -7.120 -0.025 -10.076 229 2HG GLU 32 HG1 GLU 32 -5.580 -0.604 -10.714 230 H ASP 33 HN ASP 33 -5.333 1.957 -7.253 231 HA ASP 33 HA ASP 33 -5.536 3.707 -9.645 232 1HB ASP 33 HB1 ASP 33 -7.328 3.343 -7.825 233 2HB ASP 33 HB2 ASP 33 -6.288 4.301 -6.770 234 H ILE 34 HN ILE 34 -3.010 2.893 -7.828 235 HA ILE 34 HA ILE 34 -2.034 5.701 -7.442 236 HB ILE 34 HB ILE 34 -1.313 3.035 -6.167 237 1HG1 ILE 34 HG12 ILE 34 -2.386 5.545 -4.871 238 2HG1 ILE 34 HG11 ILE 34 -3.444 4.278 -5.489 239 1HG2 ILE 34 HG21 ILE 34 0.619 3.918 -5.421 240 2HG2 ILE 34 HG22 ILE 34 -0.204 5.375 -4.865 241 3HG2 ILE 34 HG23 ILE 34 0.365 5.266 -6.531 242 1HD1 ILE 34 HD11 ILE 34 -2.676 4.213 -2.973 243 2HD1 ILE 34 HD12 ILE 34 -1.183 3.556 -3.643 244 3HD1 ILE 34 HD13 ILE 34 -2.712 2.717 -3.907 245 HA PRO 35 HA PRO 35 0.323 3.556 -10.918 246 1HB PRO 35 HB1 PRO 35 0.048 5.662 -12.703 247 2HB PRO 35 HB2 PRO 35 -1.036 4.260 -12.648 248 1HG PRO 35 HG2 PRO 35 -1.407 6.995 -11.538 249 2HG PRO 35 HG1 PRO 35 -2.588 5.911 -12.287 250 1HD PRO 35 HD2 PRO 35 -2.419 6.292 -9.604 251 2HD PRO 35 HD1 PRO 35 -2.967 4.768 -10.333 252 H ASP 36 HN ASP 36 0.315 6.668 -9.352 253 HA ASP 36 HA ASP 36 2.661 7.877 -10.329 254 1HB ASP 36 HB1 ASP 36 0.848 8.078 -8.125 255 2HB ASP 36 HB2 ASP 36 2.485 8.158 -7.473 256 H ASP 37 HN ASP 37 4.637 8.089 -8.588 257 HA ASP 37 HA ASP 37 5.794 5.356 -8.459 258 1HB ASP 37 HB2 ASP 37 6.712 8.180 -8.644 259 2HB ASP 37 HB1 ASP 37 7.765 7.096 -7.733 260 H TRP 38 HN TRP 38 3.775 5.924 -6.513 261 HA TRP 38 HA TRP 38 4.588 6.944 -4.032 262 1HB TRP 38 HB1 TRP 38 2.320 6.182 -4.571 263 2HB TRP 38 HB2 TRP 38 2.887 4.519 -4.728 264 HD1 TRP 38 HD1 TRP 38 2.304 7.251 -2.108 265 HE1 TRP 38 HE1 TRP 38 2.196 6.155 0.221 266 HE3 TRP 38 HE3 TRP 38 3.552 2.459 -3.338 267 HZ2 TRP 38 HZ2 TRP 38 2.582 3.579 1.406 268 HZ3 TRP 38 HZ3 TRP 38 3.666 0.703 -1.594 269 HH2 TRP 38 HH2 TRP 38 3.189 1.257 0.775 270 H CYS 39 HN CYS 39 5.784 6.117 -2.296 271 HA CYS 39 HA CYS 39 7.038 3.421 -2.641 272 1HB CYS 39 HB2 CYS 39 8.237 6.151 -2.233 273 2HB CYS 39 HB1 CYS 39 9.074 4.745 -1.582 274 HG CYS 39 HG CYS 39 9.769 5.298 -4.146 275 H CYS 40 HN CYS 40 8.120 2.779 -0.465 276 HA CYS 40 HA CYS 40 6.215 2.675 1.621 277 1HB CYS 40 HB1 CYS 40 8.792 1.720 1.017 278 2HB CYS 40 HB2 CYS 40 8.981 2.584 2.543 279 HA PRO 41 HA PRO 41 6.591 6.627 3.519 280 1HB PRO 41 HB2 PRO 41 5.818 6.003 6.083 281 2HB PRO 41 HB1 PRO 41 4.681 6.128 4.728 282 1HG PRO 41 HG2 PRO 41 5.853 3.714 6.009 283 2HG PRO 41 HG1 PRO 41 4.231 3.967 5.353 284 1HD PRO 41 HD1 PRO 41 6.216 2.590 4.059 285 2HD PRO 41 HD2 PRO 41 4.869 3.403 3.235 286 H ASP 42 HN ASP 42 8.587 3.994 4.403 287 HA ASP 42 HA ASP 42 10.478 5.863 5.727 288 1HB ASP 42 HB1 ASP 42 8.953 3.610 6.961 289 2HB ASP 42 HB2 ASP 42 10.633 3.805 7.460 290 H CYS 43 HN CYS 43 10.473 4.323 3.169 291 HA CYS 43 HA CYS 43 13.039 2.870 3.624 292 1HB CYS 43 HB2 CYS 43 10.683 1.812 2.028 293 2HB CYS 43 HB1 CYS 43 12.211 0.982 2.293 294 H GLY 44 HN GLY 44 10.776 3.421 0.897 295 1HA GLY 44 HA1 GLY 44 11.261 5.140 -0.811 296 2HA GLY 44 HA2 GLY 44 12.977 4.890 -0.493 297 H ALA 45 HN ALA 45 10.724 2.207 -0.724 298 HA ALA 45 HA ALA 45 12.170 1.308 -3.181 299 1HB ALA 45 HB1 ALA 45 11.994 0.025 -0.904 300 2HB ALA 45 HB2 ALA 45 11.727 -0.880 -2.394 301 3HB ALA 45 HB3 ALA 45 10.352 -0.346 -1.428 302 H THR 46 HN THR 46 10.719 -0.059 -4.676 303 HA THR 46 HA THR 46 8.289 1.510 -5.297 304 HB THR 46 HB THR 46 8.425 0.265 -7.408 305 HG1 THR 46 HG1 THR 46 9.799 -1.437 -7.632 306 1HG2 THR 46 HG21 THR 46 10.359 1.994 -6.454 307 2HG2 THR 46 HG22 THR 46 10.206 1.464 -8.129 308 3HG2 THR 46 HG23 THR 46 11.313 0.630 -7.039 309 H LYS 47 HN LYS 47 6.764 -0.486 -6.537 310 HA LYS 47 HA LYS 47 5.342 -1.633 -4.307 311 1HB LYS 47 HB1 LYS 47 5.277 -2.214 -7.293 312 2HB LYS 47 HB2 LYS 47 4.016 -2.658 -6.142 313 1HG LYS 47 HG2 LYS 47 3.497 -0.363 -5.690 314 2HG LYS 47 HG1 LYS 47 4.943 0.199 -6.527 315 1HD LYS 47 HD1 LYS 47 4.043 -0.678 -8.659 316 2HD LYS 47 HD2 LYS 47 2.589 -1.216 -7.817 317 1HE LYS 47 HE2 LYS 47 2.891 1.485 -7.078 318 2HE LYS 47 HE1 LYS 47 3.227 1.434 -8.820 319 1HZ LYS 47 HZ1 LYS 47 1.223 0.170 -9.164 320 2HZ LYS 47 HZ2 LYS 47 0.826 1.585 -8.313 321 3HZ LYS 47 HZ3 LYS 47 0.921 0.100 -7.494 322 H GLU 48 HN GLU 48 8.125 -2.681 -6.060 323 HA GLU 48 HA GLU 48 7.911 -5.484 -6.098 324 1HB GLU 48 HB1 GLU 48 9.782 -3.737 -6.776 325 2HB GLU 48 HB2 GLU 48 10.415 -4.092 -5.169 326 1HG GLU 48 HG1 GLU 48 11.496 -5.661 -6.580 327 2HG GLU 48 HG2 GLU 48 10.186 -6.578 -5.836 328 H ASP 49 HN ASP 49 8.964 -3.385 -3.403 329 HA ASP 49 HA ASP 49 9.381 -5.557 -1.534 330 1HB ASP 49 HB1 ASP 49 8.809 -2.599 -1.116 331 2HB ASP 49 HB2 ASP 49 9.553 -3.680 0.061 332 H TYR 50 HN TYR 50 6.588 -3.801 -2.647 333 HA TYR 50 HA TYR 50 4.940 -4.680 -0.340 334 1HB TYR 50 HB1 TYR 50 4.849 -2.692 -2.562 335 2HB TYR 50 HB2 TYR 50 3.299 -3.317 -2.008 336 HD1 TYR 50 HD1 TYR 50 5.937 -0.993 -1.356 337 HD2 TYR 50 HD2 TYR 50 2.859 -3.307 0.542 338 HE1 TYR 50 HE1 TYR 50 6.038 0.497 0.623 339 HE2 TYR 50 HE2 TYR 50 2.960 -1.819 2.525 340 HH TYR 50 HH TYR 50 4.391 -0.268 3.586 341 H VAL 51 HN VAL 51 3.504 -6.369 -0.519 342 HA VAL 51 HA VAL 51 2.944 -7.461 -3.256 343 HB VAL 51 HB VAL 51 3.166 -9.716 -2.209 344 1HG1 VAL 51 HG11 VAL 51 5.571 -9.716 -2.066 345 2HG1 VAL 51 HG12 VAL 51 5.601 -8.008 -1.630 346 3HG1 VAL 51 HG13 VAL 51 5.124 -8.494 -3.256 347 1HG2 VAL 51 HG21 VAL 51 4.109 -8.161 0.219 348 2HG2 VAL 51 HG22 VAL 51 4.040 -9.916 0.063 349 3HG2 VAL 51 HG23 VAL 51 2.549 -8.975 0.094 350 H LEU 52 HN LEU 52 0.973 -8.999 -3.128 351 HA LEU 52 HA LEU 52 -1.220 -7.585 -1.813 352 1HB LEU 52 HB2 LEU 52 -0.950 -8.920 -4.110 353 2HB LEU 52 HB1 LEU 52 -1.461 -10.278 -3.115 354 HG LEU 52 HG LEU 52 -3.409 -9.199 -4.161 355 1HD1 LEU 52 HD11 LEU 52 -3.447 -10.106 -1.768 356 2HD1 LEU 52 HD12 LEU 52 -4.737 -8.983 -2.196 357 3HD1 LEU 52 HD13 LEU 52 -3.363 -8.426 -1.242 358 1HD2 LEU 52 HD21 LEU 52 -3.149 -6.725 -2.564 359 2HD2 LEU 52 HD22 LEU 52 -3.727 -6.943 -4.216 360 3HD2 LEU 52 HD23 LEU 52 -1.995 -6.876 -3.889 361 H TYR 53 HN TYR 53 -1.763 -7.987 0.293 362 HA TYR 53 HA TYR 53 -0.753 -10.305 1.739 363 1HB TYR 53 HB2 TYR 53 -1.241 -7.896 2.541 364 2HB TYR 53 HB1 TYR 53 -2.936 -8.381 2.582 365 HD1 TYR 53 HD1 TYR 53 -3.759 -9.961 4.229 366 HD2 TYR 53 HD2 TYR 53 0.414 -8.967 4.030 367 HE1 TYR 53 HE1 TYR 53 -3.395 -11.048 6.428 368 HE2 TYR 53 HE2 TYR 53 0.779 -10.053 6.228 369 HH TYR 53 HH TYR 53 -1.896 -11.163 8.196 370 H GLU 54 HN GLU 54 -2.211 -11.833 2.887 371 HA GLU 54 HA GLU 54 -4.757 -12.345 1.382 372 1HB GLU 54 HB2 GLU 54 -2.435 -14.080 2.185 373 2HB GLU 54 HB1 GLU 54 -4.035 -14.811 2.057 374 1HG GLU 54 HG2 GLU 54 -4.206 -14.334 -0.238 375 2HG GLU 54 HG1 GLU 54 -2.973 -13.075 -0.163 376 H GLU 55 HN GLU 55 -6.310 -11.754 2.890 377 HA GLU 55 HA GLU 55 -5.916 -12.191 5.761 378 1HB GLU 55 HB2 GLU 55 -7.845 -10.916 3.895 379 2HB GLU 55 HB1 GLU 55 -8.534 -11.490 5.413 380 1HG GLU 55 HG1 GLU 55 -6.310 -10.294 6.367 381 2HG GLU 55 HG2 GLU 55 -6.567 -9.312 4.924 382 H LYS 56 HN LYS 56 -7.382 -13.531 7.055 383 HA LYS 56 HA LYS 56 -7.723 -16.193 6.100 384 1HB LYS 56 HB2 LYS 56 -7.842 -14.803 8.488 385 2HB LYS 56 HB1 LYS 56 -9.522 -15.283 8.257 386 1HG LYS 56 HG1 LYS 56 -8.465 -17.073 9.455 387 2HG LYS 56 HG2 LYS 56 -8.659 -17.633 7.794 388 1HD LYS 56 HD2 LYS 56 -6.435 -18.183 8.143 389 2HD LYS 56 HD1 LYS 56 -6.249 -16.546 7.512 390 1HE LYS 56 HE1 LYS 56 -6.703 -16.282 10.307 391 2HE LYS 56 HE2 LYS 56 -5.482 -17.552 10.100 392 1HZ LYS 56 HZ1 LYS 56 -4.647 -15.167 10.076 393 2HZ LYS 56 HZ2 LYS 56 -5.408 -15.017 8.564 394 3HZ LYS 56 HZ3 LYS 56 -4.160 -16.149 8.779 Start of MODEL 9 1 H ALA 1 HT1 ALA 1 -14.787 -5.083 0.373 2 HA ALA 1 HA ALA 1 -13.804 -4.830 -1.737 3 1HB ALA 1 HB1 ALA 1 -15.544 -3.096 -0.618 4 2HB ALA 1 HB2 ALA 1 -14.985 -2.911 -2.282 5 3HB ALA 1 HB3 ALA 1 -14.241 -1.967 -0.990 6 H TYR 2 HN TYR 2 -12.438 -2.409 0.525 7 HA TYR 2 HA TYR 2 -10.307 -1.560 -1.201 8 1HB TYR 2 HB2 TYR 2 -10.837 -1.538 1.781 9 2HB TYR 2 HB1 TYR 2 -9.381 -0.814 1.098 10 HD1 TYR 2 HD1 TYR 2 -10.142 0.478 -1.312 11 HD2 TYR 2 HD2 TYR 2 -12.412 0.093 2.315 12 HE1 TYR 2 HE1 TYR 2 -11.434 2.510 -1.905 13 HE2 TYR 2 HE2 TYR 2 -13.703 2.126 1.722 14 HH TYR 2 HH TYR 2 -12.765 4.325 -0.463 15 H LEU 3 HN LEU 3 -8.284 -2.421 -1.531 16 HA LEU 3 HA LEU 3 -7.715 -5.082 -0.330 17 1HB LEU 3 HB1 LEU 3 -6.975 -3.500 -2.753 18 2HB LEU 3 HB2 LEU 3 -5.775 -4.654 -2.168 19 HG LEU 3 HG LEU 3 -7.669 -6.375 -2.115 20 1HD1 LEU 3 HD11 LEU 3 -9.592 -4.940 -2.211 21 2HD1 LEU 3 HD12 LEU 3 -9.533 -5.800 -3.749 22 3HD1 LEU 3 HD13 LEU 3 -8.988 -4.125 -3.654 23 1HD2 LEU 3 HD21 LEU 3 -5.859 -6.006 -3.946 24 2HD2 LEU 3 HD22 LEU 3 -7.176 -5.315 -4.894 25 3HD2 LEU 3 HD23 LEU 3 -7.264 -6.992 -4.355 26 H LYS 4 HN LYS 4 -5.563 -5.508 0.557 27 HA LYS 4 HA LYS 4 -4.195 -3.046 1.601 28 1HB LYS 4 HB1 LYS 4 -4.712 -5.777 2.830 29 2HB LYS 4 HB2 LYS 4 -3.677 -4.556 3.571 30 1HG LYS 4 HG2 LYS 4 -5.503 -3.615 4.487 31 2HG LYS 4 HG1 LYS 4 -6.097 -3.255 2.866 32 1HD LYS 4 HD2 LYS 4 -7.370 -5.235 2.762 33 2HD LYS 4 HD1 LYS 4 -6.451 -6.000 4.059 34 1HE LYS 4 HE1 LYS 4 -8.135 -5.328 5.441 35 2HE LYS 4 HE2 LYS 4 -7.494 -3.686 5.242 36 1HZ LYS 4 HZ1 LYS 4 -9.544 -5.043 3.570 37 2HZ LYS 4 HZ2 LYS 4 -8.796 -3.584 3.127 38 3HZ LYS 4 HZ3 LYS 4 -9.755 -3.656 4.527 39 H TRP 5 HN TRP 5 -1.841 -3.344 1.964 40 HA TRP 5 HA TRP 5 -0.651 -5.574 0.346 41 1HB TRP 5 HB2 TRP 5 0.086 -2.623 0.311 42 2HB TRP 5 HB1 TRP 5 0.852 -3.886 -0.654 43 HD1 TRP 5 HD1 TRP 5 -2.592 -2.227 -0.176 44 HE1 TRP 5 HE1 TRP 5 -3.876 -2.376 -2.397 45 HE3 TRP 5 HE3 TRP 5 0.705 -5.008 -2.893 46 HZ2 TRP 5 HZ2 TRP 5 -3.550 -3.538 -4.998 47 HZ3 TRP 5 HZ3 TRP 5 0.197 -5.625 -5.239 48 HH2 TRP 5 HH2 TRP 5 -1.924 -4.895 -6.293 49 H ILE 6 HN ILE 6 0.911 -6.619 1.519 50 HA ILE 6 HA ILE 6 1.985 -5.275 3.941 51 HB ILE 6 HB ILE 6 0.866 -7.566 3.872 52 1HG1 ILE 6 HG11 ILE 6 2.124 -6.848 5.810 53 2HG1 ILE 6 HG12 ILE 6 2.449 -8.544 5.495 54 1HG2 ILE 6 HG21 ILE 6 2.027 -8.385 1.833 55 2HG2 ILE 6 HG22 ILE 6 2.242 -9.473 3.204 56 3HG2 ILE 6 HG23 ILE 6 3.546 -8.386 2.727 57 1HD1 ILE 6 HD11 ILE 6 4.237 -6.179 5.161 58 2HD1 ILE 6 HD12 ILE 6 4.447 -7.549 4.067 59 3HD1 ILE 6 HD13 ILE 6 4.601 -7.781 5.806 60 H CYS 7 HN CYS 7 4.077 -4.541 3.970 61 HA CYS 7 HA CYS 7 5.766 -4.813 1.594 62 1HB CYS 7 HB2 CYS 7 5.508 -2.809 3.194 63 2HB CYS 7 HB1 CYS 7 6.488 -3.731 4.337 64 H ILE 8 HN ILE 8 6.275 -7.101 1.484 65 HA ILE 8 HA ILE 8 7.030 -8.794 3.600 66 HB ILE 8 HB ILE 8 8.223 -10.054 1.819 67 1HG1 ILE 8 HG11 ILE 8 7.671 -7.635 0.083 68 2HG1 ILE 8 HG12 ILE 8 9.249 -8.004 0.776 69 1HG2 ILE 8 HG21 ILE 8 6.006 -10.576 1.574 70 2HG2 ILE 8 HG22 ILE 8 6.210 -9.702 0.058 71 3HG2 ILE 8 HG23 ILE 8 5.514 -8.887 1.457 72 1HD1 ILE 8 HD11 ILE 8 9.636 -9.318 -1.016 73 2HD1 ILE 8 HD12 ILE 8 7.972 -9.135 -1.571 74 3HD1 ILE 8 HD13 ILE 8 8.380 -10.401 -0.414 75 H THR 9 HN THR 9 8.805 -6.184 2.129 76 HA THR 9 HA THR 9 11.428 -6.947 3.140 77 HB THR 9 HB THR 9 10.167 -4.401 2.058 78 HG1 THR 9 HG1 THR 9 12.061 -6.132 0.874 79 1HG2 THR 9 HG21 THR 9 13.011 -5.021 2.864 80 2HG2 THR 9 HG22 THR 9 12.020 -3.637 3.329 81 3HG2 THR 9 HG23 THR 9 12.632 -3.770 1.680 82 H CYS 10 HN CYS 10 8.680 -5.097 4.346 83 HA CYS 10 HA CYS 10 10.289 -4.333 6.751 84 1HB CYS 10 HB2 CYS 10 8.142 -3.075 5.126 85 2HB CYS 10 HB1 CYS 10 8.215 -2.665 6.836 86 H GLY 11 HN GLY 11 6.984 -5.307 5.757 87 1HA GLY 11 HA2 GLY 11 5.907 -7.145 7.056 88 2HA GLY 11 HA1 GLY 11 6.646 -6.454 8.499 89 H HIS 12 HN HIS 12 6.025 -3.687 7.323 90 HA HIS 12 HA HIS 12 3.509 -3.279 8.687 91 1HB HIS 12 HB2 HIS 12 5.292 -1.589 8.506 92 2HB HIS 12 HB1 HIS 12 5.131 -1.584 6.749 93 HD1 HIS 12 HD1 HIS 12 4.005 0.206 9.644 94 HD2 HIS 12 HD2 HIS 12 2.255 -0.847 6.010 95 HE1 HIS 12 HE1 HIS 12 2.010 1.735 9.341 96 H ILE 13 HN ILE 13 1.459 -2.946 7.798 97 HA ILE 13 HA ILE 13 1.140 -3.846 4.961 98 HB ILE 13 HB ILE 13 -0.744 -3.777 7.350 99 1HG1 ILE 13 HG11 ILE 13 0.034 -6.325 6.081 100 2HG1 ILE 13 HG12 ILE 13 1.347 -5.466 6.882 101 1HG2 ILE 13 HG21 ILE 13 -2.188 -3.655 5.513 102 2HG2 ILE 13 HG22 ILE 13 -2.014 -5.397 5.719 103 3HG2 ILE 13 HG23 ILE 13 -1.094 -4.560 4.468 104 1HD1 ILE 13 HD11 ILE 13 -1.330 -5.980 8.198 105 2HD1 ILE 13 HD12 ILE 13 0.154 -5.414 8.967 106 3HD1 ILE 13 HD13 ILE 13 0.047 -7.069 8.368 107 H TYR 14 HN TYR 14 -0.285 -2.714 3.598 108 HA TYR 14 HA TYR 14 -0.749 0.143 4.359 109 1HB TYR 14 HB1 TYR 14 0.617 -0.277 2.369 110 2HB TYR 14 HB2 TYR 14 -0.629 -1.330 1.697 111 HD1 TYR 14 HD1 TYR 14 -0.145 2.147 2.990 112 HD2 TYR 14 HD2 TYR 14 -2.232 -0.408 0.240 113 HE1 TYR 14 HE1 TYR 14 -1.246 4.131 1.981 114 HE2 TYR 14 HE2 TYR 14 -3.331 1.572 -0.768 115 HH TYR 14 HH TYR 14 -3.919 3.989 0.104 116 H ASP 15 HN ASP 15 -2.828 0.796 4.710 117 HA ASP 15 HA ASP 15 -5.043 -1.083 4.027 118 1HB ASP 15 HB2 ASP 15 -4.374 0.077 6.361 119 2HB ASP 15 HB1 ASP 15 -5.382 1.370 5.709 120 H GLU 16 HN GLU 16 -5.694 -0.561 1.943 121 HA GLU 16 HA GLU 16 -5.597 1.896 0.613 122 1HB GLU 16 HB2 GLU 16 -7.246 -0.595 0.532 123 2HB GLU 16 HB1 GLU 16 -7.821 0.772 -0.418 124 1HG GLU 16 HG2 GLU 16 -5.491 0.937 -1.403 125 2HG GLU 16 HG1 GLU 16 -5.125 -0.594 -0.608 126 H ALA 17 HN ALA 17 -7.779 0.891 3.160 127 HA ALA 17 HA ALA 17 -9.721 3.040 2.635 128 1HB ALA 17 HB1 ALA 17 -10.461 2.069 4.993 129 2HB ALA 17 HB2 ALA 17 -9.315 0.791 4.589 130 3HB ALA 17 HB3 ALA 17 -10.690 1.109 3.532 131 H LEU 18 HN LEU 18 -6.675 3.311 3.656 132 HA LEU 18 HA LEU 18 -7.074 5.791 5.057 133 1HB LEU 18 HB1 LEU 18 -7.615 3.592 6.591 134 2HB LEU 18 HB2 LEU 18 -5.899 3.816 6.933 135 HG LEU 18 HG LEU 18 -7.793 6.158 7.017 136 1HD1 LEU 18 HD11 LEU 18 -7.136 4.390 9.385 137 2HD1 LEU 18 HD12 LEU 18 -8.642 4.259 8.477 138 3HD1 LEU 18 HD13 LEU 18 -8.258 5.750 9.337 139 1HD2 LEU 18 HD21 LEU 18 -5.038 5.473 7.952 140 2HD2 LEU 18 HD22 LEU 18 -5.977 6.609 8.921 141 3HD2 LEU 18 HD23 LEU 18 -5.636 6.965 7.227 142 H GLY 19 HN GLY 19 -5.460 5.779 3.097 143 1HA GLY 19 HA1 GLY 19 -2.877 4.600 3.344 144 2HA GLY 19 HA2 GLY 19 -3.256 5.996 2.337 145 H ASP 20 HN ASP 20 -1.390 7.164 2.892 146 HA ASP 20 HA ASP 20 -0.739 7.670 5.719 147 1HB ASP 20 HB1 ASP 20 0.480 7.753 3.092 148 2HB ASP 20 HB2 ASP 20 0.769 9.278 3.934 149 H GLU 21 HN GLU 21 -0.251 10.072 6.262 150 HA GLU 21 HA GLU 21 -2.559 11.741 5.329 151 1HB GLU 21 HB2 GLU 21 -2.283 10.971 7.762 152 2HB GLU 21 HB1 GLU 21 -0.877 12.031 7.838 153 1HG GLU 21 HG2 GLU 21 -2.278 13.959 7.230 154 2HG GLU 21 HG1 GLU 21 -3.689 12.907 7.108 155 H ALA 22 HN ALA 22 0.915 11.549 5.536 156 HA ALA 22 HA ALA 22 1.426 14.399 5.193 157 1HB ALA 22 HB1 ALA 22 3.711 13.660 5.086 158 2HB ALA 22 HB2 ALA 22 3.232 12.044 4.565 159 3HB ALA 22 HB3 ALA 22 2.910 12.570 6.218 160 H GLU 23 HN GLU 23 1.983 11.603 3.005 161 HA GLU 23 HA GLU 23 2.490 13.110 0.657 162 1HB GLU 23 HB1 GLU 23 2.937 10.706 0.926 163 2HB GLU 23 HB2 GLU 23 1.210 10.382 1.075 164 1HG GLU 23 HG2 GLU 23 1.763 9.882 -1.194 165 2HG GLU 23 HG1 GLU 23 0.963 11.452 -1.240 166 H GLY 24 HN GLY 24 -0.503 12.458 2.311 167 1HA GLY 24 HA2 GLY 24 -2.525 13.704 1.859 168 2HA GLY 24 HA1 GLY 24 -1.948 13.988 0.216 169 H PHE 25 HN PHE 25 -1.861 10.834 1.787 170 HA PHE 25 HA PHE 25 -3.348 9.636 -0.421 171 1HB PHE 25 HB1 PHE 25 -1.607 8.926 1.795 172 2HB PHE 25 HB2 PHE 25 -2.998 7.857 1.762 173 HD1 PHE 25 HD1 PHE 25 -1.754 5.896 1.107 174 HD2 PHE 25 HD2 PHE 25 -1.598 9.463 -1.271 175 HE1 PHE 25 HE1 PHE 25 -0.703 4.616 -0.741 176 HE2 PHE 25 HE2 PHE 25 -0.542 8.189 -3.118 177 HZ PHE 25 HZ PHE 25 -0.096 5.762 -2.855 178 H THR 26 HN THR 26 -5.348 10.977 0.019 179 HA THR 26 HA THR 26 -6.924 10.925 2.321 180 HB THR 26 HB THR 26 -7.249 12.198 0.187 181 HG1 THR 26 HG1 THR 26 -8.957 12.108 1.626 182 1HG2 THR 26 HG21 THR 26 -8.886 10.165 -1.094 183 2HG2 THR 26 HG22 THR 26 -7.209 9.643 -0.940 184 3HG2 THR 26 HG23 THR 26 -7.590 11.149 -1.776 185 HA PRO 27 HA PRO 27 -8.175 6.765 3.002 186 1HB PRO 27 HB1 PRO 27 -10.907 7.832 3.526 187 2HB PRO 27 HB2 PRO 27 -9.849 6.885 4.588 188 1HG PRO 27 HG2 PRO 27 -10.285 9.509 4.959 189 2HG PRO 27 HG1 PRO 27 -8.742 8.739 5.350 190 1HD PRO 27 HD2 PRO 27 -9.450 10.507 3.070 191 2HD PRO 27 HD1 PRO 27 -7.904 10.319 3.923 192 H GLY 28 HN GLY 28 -8.640 5.345 1.370 193 1HA GLY 28 HA2 GLY 28 -10.433 4.381 -0.063 194 2HA GLY 28 HA1 GLY 28 -10.881 6.034 -0.488 195 H THR 29 HN THR 29 -7.506 5.247 -0.223 196 HA THR 29 HA THR 29 -7.213 5.682 -3.153 197 HB THR 29 HB THR 29 -5.199 5.553 -0.875 198 HG1 THR 29 HG1 THR 29 -5.725 7.540 -0.511 199 1HG2 THR 29 HG21 THR 29 -4.539 5.219 -3.409 200 2HG2 THR 29 HG22 THR 29 -3.581 6.287 -2.382 201 3HG2 THR 29 HG23 THR 29 -4.775 6.965 -3.489 202 H ARG 30 HN ARG 30 -6.625 4.020 -4.498 203 HA ARG 30 HA ARG 30 -5.969 1.384 -3.237 204 1HB ARG 30 HB2 ARG 30 -8.032 1.615 -4.632 205 2HB ARG 30 HB1 ARG 30 -7.031 2.112 -5.995 206 1HG ARG 30 HG1 ARG 30 -6.193 -0.009 -6.332 207 2HG ARG 30 HG2 ARG 30 -6.315 -0.442 -4.626 208 1HD ARG 30 HD1 ARG 30 -8.160 -1.631 -5.281 209 2HD ARG 30 HD2 ARG 30 -8.967 -0.051 -5.334 210 HE ARG 30 HE ARG 30 -8.824 -0.124 -7.697 211 1HH1 ARG 30 HH21 ARG 30 -6.655 -2.429 -6.250 212 2HH1 ARG 30 HH22 ARG 30 -6.212 -3.133 -7.766 213 1HH2 ARG 30 HH11 ARG 30 -8.235 -1.053 -9.655 214 2HH2 ARG 30 HH12 ARG 30 -7.099 -2.360 -9.682 215 H PHE 31 HN PHE 31 -4.082 0.308 -3.867 216 HA PHE 31 HA PHE 31 -1.781 1.637 -4.704 217 1HB PHE 31 HB1 PHE 31 -2.717 -1.028 -4.268 218 2HB PHE 31 HB2 PHE 31 -1.818 -1.029 -5.784 219 HD1 PHE 31 HD1 PHE 31 0.314 -1.891 -5.358 220 HD2 PHE 31 HD2 PHE 31 -1.391 0.967 -2.642 221 HE1 PHE 31 HE1 PHE 31 2.446 -1.823 -4.092 222 HE2 PHE 31 HE2 PHE 31 0.742 1.035 -1.375 223 HZ PHE 31 HZ PHE 31 2.659 -0.362 -2.101 224 H GLU 32 HN GLU 32 -4.039 -0.184 -6.815 225 HA GLU 32 HA GLU 32 -2.742 0.150 -9.284 226 1HB GLU 32 HB1 GLU 32 -4.764 -1.198 -8.759 227 2HB GLU 32 HB2 GLU 32 -5.710 0.286 -8.667 228 1HG GLU 32 HG2 GLU 32 -6.063 0.026 -10.889 229 2HG GLU 32 HG1 GLU 32 -4.378 0.503 -11.101 230 H ASP 33 HN ASP 33 -5.096 2.334 -7.718 231 HA ASP 33 HA ASP 33 -4.930 4.361 -9.788 232 1HB ASP 33 HB1 ASP 33 -6.753 3.819 -7.996 233 2HB ASP 33 HB2 ASP 33 -5.750 4.782 -6.909 234 H ILE 34 HN ILE 34 -2.818 3.448 -7.234 235 HA ILE 34 HA ILE 34 -1.731 6.160 -6.812 236 HB ILE 34 HB ILE 34 -1.033 3.369 -5.844 237 1HG1 ILE 34 HG12 ILE 34 -2.044 5.735 -4.266 238 2HG1 ILE 34 HG11 ILE 34 -3.144 4.611 -5.059 239 1HG2 ILE 34 HG21 ILE 34 0.190 6.023 -5.029 240 2HG2 ILE 34 HG22 ILE 34 1.012 4.751 -5.933 241 3HG2 ILE 34 HG23 ILE 34 0.515 4.467 -4.265 242 1HD1 ILE 34 HD11 ILE 34 -0.992 3.361 -3.452 243 2HD1 ILE 34 HD12 ILE 34 -2.698 2.930 -3.575 244 3HD1 ILE 34 HD13 ILE 34 -2.197 4.259 -2.530 245 HA PRO 35 HA PRO 35 0.951 5.535 -10.364 246 1HB PRO 35 HB1 PRO 35 2.413 7.861 -10.002 247 2HB PRO 35 HB2 PRO 35 0.848 7.796 -10.830 248 1HG PRO 35 HG2 PRO 35 1.494 8.625 -8.048 249 2HG PRO 35 HG1 PRO 35 0.301 9.287 -9.174 250 1HD PRO 35 HD2 PRO 35 -0.350 7.643 -7.109 251 2HD PRO 35 HD1 PRO 35 -1.277 7.715 -8.622 252 H ASP 36 HN ASP 36 3.556 5.996 -10.521 253 HA ASP 36 HA ASP 36 4.741 4.229 -8.528 254 1HB ASP 36 HB2 ASP 36 5.678 5.811 -10.933 255 2HB ASP 36 HB1 ASP 36 6.816 4.896 -9.943 256 H ASP 37 HN ASP 37 4.405 7.672 -8.902 257 HA ASP 37 HA ASP 37 6.637 8.742 -7.608 258 1HB ASP 37 HB2 ASP 37 4.665 9.929 -8.628 259 2HB ASP 37 HB1 ASP 37 3.722 9.505 -7.200 260 H TRP 38 HN TRP 38 3.805 7.169 -6.137 261 HA TRP 38 HA TRP 38 4.636 7.726 -3.398 262 1HB TRP 38 HB1 TRP 38 2.295 7.431 -4.006 263 2HB TRP 38 HB2 TRP 38 2.631 5.845 -4.698 264 HD1 TRP 38 HD1 TRP 38 2.099 7.627 -1.394 265 HE1 TRP 38 HE1 TRP 38 1.932 5.876 0.492 266 HE3 TRP 38 HE3 TRP 38 3.443 3.426 -3.966 267 HZ2 TRP 38 HZ2 TRP 38 2.316 3.067 0.859 268 HZ3 TRP 38 HZ3 TRP 38 3.536 1.230 -2.827 269 HH2 TRP 38 HH2 TRP 38 2.973 1.043 -0.419 270 H CYS 39 HN CYS 39 5.339 6.058 -1.878 271 HA CYS 39 HA CYS 39 6.295 3.478 -2.948 272 1HB CYS 39 HB2 CYS 39 8.647 4.020 -2.270 273 2HB CYS 39 HB1 CYS 39 8.067 5.071 -3.553 274 HG CYS 39 HG CYS 39 7.519 6.347 -0.876 275 H CYS 40 HN CYS 40 8.057 2.906 -0.825 276 HA CYS 40 HA CYS 40 6.146 2.411 1.336 277 1HB CYS 40 HB1 CYS 40 8.218 1.057 0.281 278 2HB CYS 40 HB2 CYS 40 9.074 1.884 1.579 279 HA PRO 41 HA PRO 41 7.337 5.963 3.674 280 1HB PRO 41 HB1 PRO 41 6.503 4.744 6.166 281 2HB PRO 41 HB2 PRO 41 5.649 5.958 5.202 282 1HG PRO 41 HG2 PRO 41 4.865 3.329 5.554 283 2HG PRO 41 HG1 PRO 41 4.297 4.415 4.283 284 1HD PRO 41 HD2 PRO 41 6.236 2.189 4.133 285 2HD PRO 41 HD1 PRO 41 5.172 2.862 2.882 286 H ASP 42 HN ASP 42 8.654 2.827 4.260 287 HA ASP 42 HA ASP 42 10.720 4.040 6.069 288 1HB ASP 42 HB1 ASP 42 8.966 2.125 6.725 289 2HB ASP 42 HB2 ASP 42 10.174 1.096 5.957 290 H CYS 43 HN CYS 43 10.186 2.523 3.030 291 HA CYS 43 HA CYS 43 13.108 1.863 2.822 292 1HB CYS 43 HB1 CYS 43 10.626 0.764 1.463 293 2HB CYS 43 HB2 CYS 43 12.261 0.354 0.953 294 H GLY 44 HN GLY 44 10.545 2.451 0.406 295 1HA GLY 44 HA2 GLY 44 10.538 4.653 -0.808 296 2HA GLY 44 HA1 GLY 44 12.299 4.580 -0.745 297 H ALA 45 HN ALA 45 10.346 1.734 -1.380 298 HA ALA 45 HA ALA 45 11.476 1.678 -4.154 299 1HB ALA 45 HB1 ALA 45 10.849 -0.336 -2.015 300 2HB ALA 45 HB2 ALA 45 12.289 -0.199 -3.025 301 3HB ALA 45 HB3 ALA 45 10.799 -0.860 -3.699 302 H THR 46 HN THR 46 9.911 -0.024 -5.457 303 HA THR 46 HA THR 46 7.297 1.356 -5.583 304 HB THR 46 HB THR 46 7.133 0.129 -7.706 305 HG1 THR 46 HG1 THR 46 8.238 -1.624 -8.026 306 1HG2 THR 46 HG21 THR 46 9.836 0.677 -8.248 307 2HG2 THR 46 HG22 THR 46 9.385 1.795 -6.960 308 3HG2 THR 46 HG23 THR 46 8.471 1.772 -8.469 309 H LYS 47 HN LYS 47 5.785 -0.798 -6.619 310 HA LYS 47 HA LYS 47 4.746 -2.006 -4.241 311 1HB LYS 47 HB2 LYS 47 3.409 -1.630 -6.234 312 2HB LYS 47 HB1 LYS 47 4.497 -2.616 -7.209 313 1HG LYS 47 HG2 LYS 47 3.456 -4.044 -4.868 314 2HG LYS 47 HG1 LYS 47 2.186 -3.518 -5.974 315 1HD LYS 47 HD2 LYS 47 3.163 -4.684 -7.810 316 2HD LYS 47 HD1 LYS 47 4.678 -4.931 -6.942 317 1HE LYS 47 HE1 LYS 47 3.432 -6.362 -5.288 318 2HE LYS 47 HE2 LYS 47 1.993 -6.211 -6.313 319 1HZ LYS 47 HZ1 LYS 47 3.184 -7.137 -8.150 320 2HZ LYS 47 HZ2 LYS 47 3.401 -8.186 -6.833 321 3HZ LYS 47 HZ3 LYS 47 4.649 -7.128 -7.291 322 H GLU 48 HN GLU 48 7.512 -2.824 -6.124 323 HA GLU 48 HA GLU 48 7.663 -5.604 -6.139 324 1HB GLU 48 HB1 GLU 48 9.562 -3.320 -5.764 325 2HB GLU 48 HB2 GLU 48 10.190 -4.945 -5.482 326 1HG GLU 48 HG2 GLU 48 9.287 -5.613 -7.730 327 2HG GLU 48 HG1 GLU 48 8.851 -3.926 -8.006 328 H ASP 49 HN ASP 49 8.458 -3.460 -3.378 329 HA ASP 49 HA ASP 49 8.998 -5.714 -1.594 330 1HB ASP 49 HB1 ASP 49 9.241 -3.862 0.050 331 2HB ASP 49 HB2 ASP 49 10.110 -3.502 -1.441 332 H TYR 50 HN TYR 50 6.190 -3.909 -2.561 333 HA TYR 50 HA TYR 50 4.645 -4.695 -0.159 334 1HB TYR 50 HB1 TYR 50 4.474 -2.808 -2.442 335 2HB TYR 50 HB2 TYR 50 2.931 -3.463 -1.900 336 HD1 TYR 50 HD1 TYR 50 2.590 -3.511 0.713 337 HD2 TYR 50 HD2 TYR 50 5.331 -0.935 -1.350 338 HE1 TYR 50 HE1 TYR 50 2.598 -1.970 2.658 339 HE2 TYR 50 HE2 TYR 50 5.343 0.610 0.591 340 HH TYR 50 HH TYR 50 3.576 1.106 2.555 341 H VAL 51 HN VAL 51 3.391 -6.516 -0.152 342 HA VAL 51 HA VAL 51 2.668 -7.736 -2.797 343 HB VAL 51 HB VAL 51 3.427 -9.003 -0.140 344 1HG1 VAL 51 HG21 VAL 51 3.225 -11.153 -1.367 345 2HG1 VAL 51 HG22 VAL 51 2.600 -10.281 -2.767 346 3HG1 VAL 51 HG23 VAL 51 1.677 -10.315 -1.265 347 1HG2 VAL 51 HG11 VAL 51 5.253 -9.977 -1.674 348 2HG2 VAL 51 HG12 VAL 51 5.401 -8.272 -1.247 349 3HG2 VAL 51 HG13 VAL 51 4.777 -8.733 -2.831 350 H LEU 52 HN LEU 52 0.626 -9.019 -2.706 351 HA LEU 52 HA LEU 52 -1.462 -7.581 -1.278 352 1HB LEU 52 HB2 LEU 52 -1.280 -8.898 -3.609 353 2HB LEU 52 HB1 LEU 52 -1.870 -10.227 -2.619 354 HG LEU 52 HG LEU 52 -3.755 -9.022 -3.634 355 1HD1 LEU 52 HD11 LEU 52 -5.040 -8.679 -1.646 356 2HD1 LEU 52 HD12 LEU 52 -3.601 -8.272 -0.711 357 3HD1 LEU 52 HD13 LEU 52 -3.857 -9.929 -1.257 358 1HD2 LEU 52 HD21 LEU 52 -3.736 -6.570 -2.224 359 2HD2 LEU 52 HD22 LEU 52 -3.560 -6.804 -3.964 360 3HD2 LEU 52 HD23 LEU 52 -2.130 -6.742 -2.934 361 H TYR 53 HN TYR 53 -1.670 -7.955 0.907 362 HA TYR 53 HA TYR 53 -0.776 -10.150 2.401 363 1HB TYR 53 HB2 TYR 53 -1.828 -7.855 3.048 364 2HB TYR 53 HB1 TYR 53 -3.371 -8.704 2.965 365 HD1 TYR 53 HD1 TYR 53 -4.154 -9.400 5.046 366 HD2 TYR 53 HD2 TYR 53 0.067 -9.503 4.256 367 HE1 TYR 53 HE1 TYR 53 -3.753 -10.339 7.306 368 HE2 TYR 53 HE2 TYR 53 0.468 -10.442 6.516 369 HH TYR 53 HH TYR 53 -1.257 -11.920 8.223 370 H GLU 54 HN GLU 54 -1.677 -12.155 2.973 371 HA GLU 54 HA GLU 54 -4.377 -12.881 2.001 372 1HB GLU 54 HB2 GLU 54 -3.433 -14.768 0.677 373 2HB GLU 54 HB1 GLU 54 -2.858 -13.213 0.077 374 1HG GLU 54 HG1 GLU 54 -0.828 -13.539 1.601 375 2HG GLU 54 HG2 GLU 54 -1.370 -15.204 1.802 376 H GLU 55 HN GLU 55 -5.287 -14.362 3.396 377 HA GLU 55 HA GLU 55 -3.782 -15.225 5.741 378 1HB GLU 55 HB2 GLU 55 -6.263 -14.531 5.481 379 2HB GLU 55 HB1 GLU 55 -6.518 -16.151 4.832 380 1HG GLU 55 HG2 GLU 55 -5.272 -16.946 6.983 381 2HG GLU 55 HG1 GLU 55 -5.653 -15.340 7.602 382 H LYS 56 HN LYS 56 -2.217 -16.775 5.198 383 HA LYS 56 HA LYS 56 -1.359 -18.869 4.519 384 1HB LYS 56 HB2 LYS 56 -4.201 -19.274 5.414 385 2HB LYS 56 HB1 LYS 56 -3.319 -20.649 4.750 386 1HG LYS 56 HG1 LYS 56 -1.674 -20.561 6.446 387 2HG LYS 56 HG2 LYS 56 -2.111 -18.917 6.906 388 1HD LYS 56 HD2 LYS 56 -4.345 -19.791 7.654 389 2HD LYS 56 HD1 LYS 56 -3.760 -21.425 7.340 390 1HE LYS 56 HE2 LYS 56 -1.955 -21.124 8.983 391 2HE LYS 56 HE1 LYS 56 -2.470 -19.449 9.261 392 1HZ LYS 56 HZ1 LYS 56 -4.592 -20.200 10.005 393 2HZ LYS 56 HZ2 LYS 56 -3.429 -21.095 10.859 394 3HZ LYS 56 HZ3 LYS 56 -4.260 -21.804 9.558 Start of MODEL 10 1 H ALA 1 HT1 ALA 1 -15.730 -2.908 0.932 2 HA ALA 1 HA ALA 1 -14.351 -3.916 -0.889 3 1HB ALA 1 HB1 ALA 1 -16.300 -2.233 -0.988 4 2HB ALA 1 HB2 ALA 1 -15.252 -2.289 -2.405 5 3HB ALA 1 HB3 ALA 1 -15.073 -0.990 -1.226 6 H TYR 2 HN TYR 2 -12.342 -2.852 1.066 7 HA TYR 2 HA TYR 2 -10.504 -1.500 -0.886 8 1HB TYR 2 HB2 TYR 2 -11.016 -1.196 2.075 9 2HB TYR 2 HB1 TYR 2 -9.477 -0.684 1.382 10 HD1 TYR 2 HD1 TYR 2 -9.745 0.721 -0.895 11 HD2 TYR 2 HD2 TYR 2 -12.723 0.385 2.182 12 HE1 TYR 2 HE1 TYR 2 -10.800 2.821 -1.686 13 HE2 TYR 2 HE2 TYR 2 -13.779 2.485 1.391 14 HH TYR 2 HH TYR 2 -13.107 3.870 -1.582 15 H LEU 3 HN LEU 3 -8.579 -2.540 -1.253 16 HA LEU 3 HA LEU 3 -8.126 -5.161 -0.004 17 1HB LEU 3 HB1 LEU 3 -7.361 -3.644 -2.372 18 2HB LEU 3 HB2 LEU 3 -5.958 -4.423 -1.641 19 HG LEU 3 HG LEU 3 -7.327 -6.559 -1.555 20 1HD1 LEU 3 HD11 LEU 3 -9.121 -6.203 -3.612 21 2HD1 LEU 3 HD12 LEU 3 -9.272 -4.685 -2.726 22 3HD1 LEU 3 HD13 LEU 3 -9.546 -6.219 -1.900 23 1HD2 LEU 3 HD21 LEU 3 -7.274 -5.979 -4.421 24 2HD2 LEU 3 HD22 LEU 3 -6.308 -7.125 -3.493 25 3HD2 LEU 3 HD23 LEU 3 -5.812 -5.436 -3.598 26 H LYS 4 HN LYS 4 -5.766 -5.640 0.670 27 HA LYS 4 HA LYS 4 -4.516 -3.315 2.074 28 1HB LYS 4 HB1 LYS 4 -5.398 -5.999 3.175 29 2HB LYS 4 HB2 LYS 4 -4.245 -4.971 4.023 30 1HG LYS 4 HG2 LYS 4 -5.831 -3.314 4.447 31 2HG LYS 4 HG1 LYS 4 -6.844 -3.795 3.086 32 1HD LYS 4 HD1 LYS 4 -7.503 -5.841 4.267 33 2HD LYS 4 HD2 LYS 4 -6.439 -5.426 5.612 34 1HE LYS 4 HE1 LYS 4 -7.783 -3.538 6.217 35 2HE LYS 4 HE2 LYS 4 -8.679 -3.600 4.689 36 1HZ LYS 4 HZ1 LYS 4 -9.928 -4.673 6.473 37 2HZ LYS 4 HZ2 LYS 4 -8.632 -5.729 6.770 38 3HZ LYS 4 HZ3 LYS 4 -9.473 -5.810 5.296 39 H TRP 5 HN TRP 5 -2.320 -3.306 1.734 40 HA TRP 5 HA TRP 5 -1.078 -5.793 0.603 41 1HB TRP 5 HB2 TRP 5 -0.206 -2.882 0.494 42 2HB TRP 5 HB1 TRP 5 0.529 -4.215 -0.390 43 HD1 TRP 5 HD1 TRP 5 -2.985 -2.610 -0.057 44 HE1 TRP 5 HE1 TRP 5 -4.094 -2.641 -2.374 45 HE3 TRP 5 HE3 TRP 5 0.642 -5.012 -2.725 46 HZ2 TRP 5 HZ2 TRP 5 -3.522 -3.572 -5.024 47 HZ3 TRP 5 HZ3 TRP 5 0.335 -5.460 -5.142 48 HH2 TRP 5 HH2 TRP 5 -1.739 -4.744 -6.294 49 H ILE 6 HN ILE 6 1.442 -5.675 1.092 50 HA ILE 6 HA ILE 6 2.090 -4.659 3.777 51 HB ILE 6 HB ILE 6 0.935 -6.714 4.333 52 1HG1 ILE 6 HG12 ILE 6 2.677 -7.962 5.462 53 2HG1 ILE 6 HG11 ILE 6 3.902 -7.335 4.361 54 1HG2 ILE 6 HG21 ILE 6 2.735 -7.990 2.256 55 2HG2 ILE 6 HG22 ILE 6 0.985 -7.799 2.156 56 3HG2 ILE 6 HG23 ILE 6 1.687 -8.888 3.351 57 1HD1 ILE 6 HD11 ILE 6 3.298 -6.239 6.808 58 2HD1 ILE 6 HD12 ILE 6 2.324 -5.249 5.720 59 3HD1 ILE 6 HD13 ILE 6 4.069 -5.363 5.484 60 H CYS 7 HN CYS 7 4.208 -4.077 3.759 61 HA CYS 7 HA CYS 7 5.883 -4.693 1.446 62 1HB CYS 7 HB2 CYS 7 5.694 -2.527 2.831 63 2HB CYS 7 HB1 CYS 7 6.648 -3.360 4.059 64 H ILE 8 HN ILE 8 6.443 -6.918 1.500 65 HA ILE 8 HA ILE 8 7.154 -8.445 3.764 66 HB ILE 8 HB ILE 8 6.720 -9.382 1.561 67 1HG1 ILE 8 HG12 ILE 8 9.577 -10.045 1.779 68 2HG1 ILE 8 HG11 ILE 8 8.646 -10.257 3.258 69 1HG2 ILE 8 HG21 ILE 8 9.200 -8.837 0.261 70 2HG2 ILE 8 HG22 ILE 8 8.487 -7.309 0.776 71 3HG2 ILE 8 HG23 ILE 8 7.572 -8.403 -0.260 72 1HD1 ILE 8 HD11 ILE 8 8.793 -12.080 1.178 73 2HD1 ILE 8 HD12 ILE 8 7.269 -11.250 0.865 74 3HD1 ILE 8 HD13 ILE 8 7.537 -12.047 2.416 75 H THR 9 HN THR 9 8.903 -5.929 2.150 76 HA THR 9 HA THR 9 11.562 -6.679 3.057 77 HB THR 9 HB THR 9 10.264 -4.129 2.028 78 HG1 THR 9 HG1 THR 9 10.326 -5.654 0.461 79 1HG2 THR 9 HG21 THR 9 13.159 -4.791 2.607 80 2HG2 THR 9 HG22 THR 9 12.217 -3.431 3.221 81 3HG2 THR 9 HG23 THR 9 12.678 -3.488 1.519 82 H CYS 10 HN CYS 10 8.874 -4.830 4.372 83 HA CYS 10 HA CYS 10 10.560 -4.137 6.751 84 1HB CYS 10 HB2 CYS 10 8.381 -2.746 5.246 85 2HB CYS 10 HB1 CYS 10 8.697 -2.312 6.921 86 H GLY 11 HN GLY 11 7.178 -4.791 5.772 87 1HA GLY 11 HA2 GLY 11 5.959 -6.621 6.937 88 2HA GLY 11 HA1 GLY 11 6.805 -6.150 8.410 89 H HIS 12 HN HIS 12 5.720 -3.594 6.339 90 HA HIS 12 HA HIS 12 3.680 -2.850 8.385 91 1HB HIS 12 HB2 HIS 12 5.674 -1.400 7.503 92 2HB HIS 12 HB1 HIS 12 4.666 -1.170 6.074 93 HD1 HIS 12 HD1 HIS 12 3.076 0.742 6.218 94 HD2 HIS 12 HD2 HIS 12 4.109 -0.670 10.001 95 HE1 HIS 12 HE1 HIS 12 1.932 2.264 7.887 96 H ILE 13 HN ILE 13 1.585 -3.338 7.873 97 HA ILE 13 HA ILE 13 0.837 -4.076 5.139 98 HB ILE 13 HB ILE 13 -0.651 -3.813 7.775 99 1HG1 ILE 13 HG12 ILE 13 -0.050 -6.366 6.309 100 2HG1 ILE 13 HG11 ILE 13 1.213 -5.606 7.275 101 1HG2 ILE 13 HG21 ILE 13 -2.003 -5.558 6.002 102 2HG2 ILE 13 HG22 ILE 13 -1.670 -4.087 5.088 103 3HG2 ILE 13 HG23 ILE 13 -2.567 -4.000 6.604 104 1HD1 ILE 13 HD11 ILE 13 0.145 -6.041 9.259 105 2HD1 ILE 13 HD12 ILE 13 -0.570 -7.348 8.315 106 3HD1 ILE 13 HD13 ILE 13 -1.460 -5.844 8.555 107 H TYR 14 HN TYR 14 -0.223 -2.792 3.684 108 HA TYR 14 HA TYR 14 -0.705 0.043 4.403 109 1HB TYR 14 HB1 TYR 14 0.558 -0.409 2.394 110 2HB TYR 14 HB2 TYR 14 -0.631 -1.583 1.839 111 HD1 TYR 14 HD1 TYR 14 -0.423 2.002 2.885 112 HD2 TYR 14 HD2 TYR 14 -2.208 -0.882 0.251 113 HE1 TYR 14 HE1 TYR 14 -1.642 3.822 1.718 114 HE2 TYR 14 HE2 TYR 14 -3.425 0.937 -0.916 115 HH TYR 14 HH TYR 14 -4.126 3.154 -0.635 116 H ASP 15 HN ASP 15 -2.738 0.729 4.895 117 HA ASP 15 HA ASP 15 -5.055 -1.051 4.305 118 1HB ASP 15 HB2 ASP 15 -4.320 0.086 6.590 119 2HB ASP 15 HB1 ASP 15 -5.145 1.491 5.914 120 H GLU 16 HN GLU 16 -5.724 -0.572 2.205 121 HA GLU 16 HA GLU 16 -5.513 1.804 0.766 122 1HB GLU 16 HB2 GLU 16 -7.392 -0.529 0.868 123 2HB GLU 16 HB1 GLU 16 -7.801 0.817 -0.191 124 1HG GLU 16 HG2 GLU 16 -5.537 0.650 -1.222 125 2HG GLU 16 HG1 GLU 16 -5.212 -0.759 -0.213 126 H ALA 17 HN ALA 17 -7.711 1.072 3.397 127 HA ALA 17 HA ALA 17 -9.339 3.498 2.849 128 1HB ALA 17 HB1 ALA 17 -10.932 2.375 4.061 129 2HB ALA 17 HB2 ALA 17 -9.769 1.864 5.284 130 3HB ALA 17 HB3 ALA 17 -9.902 0.974 3.768 131 H LEU 18 HN LEU 18 -6.420 3.419 3.851 132 HA LEU 18 HA LEU 18 -6.601 5.633 5.686 133 1HB LEU 18 HB1 LEU 18 -7.278 3.323 6.884 134 2HB LEU 18 HB2 LEU 18 -5.527 3.182 7.037 135 HG LEU 18 HG LEU 18 -6.495 4.302 9.011 136 1HD1 LEU 18 HD11 LEU 18 -4.234 4.942 8.250 137 2HD1 LEU 18 HD12 LEU 18 -5.073 6.319 8.965 138 3HD1 LEU 18 HD13 LEU 18 -4.935 6.182 7.211 139 1HD2 LEU 18 HD21 LEU 18 -7.234 6.647 7.288 140 2HD2 LEU 18 HD22 LEU 18 -7.832 6.209 8.889 141 3HD2 LEU 18 HD23 LEU 18 -8.376 5.315 7.470 142 H GLY 19 HN GLY 19 -5.092 5.805 3.607 143 1HA GLY 19 HA1 GLY 19 -2.490 4.535 3.791 144 2HA GLY 19 HA2 GLY 19 -2.922 5.842 2.690 145 H ASP 20 HN ASP 20 -1.224 7.246 3.067 146 HA ASP 20 HA ASP 20 -0.593 7.999 5.879 147 1HB ASP 20 HB1 ASP 20 0.758 7.889 3.226 148 2HB ASP 20 HB2 ASP 20 1.261 9.203 4.292 149 H GLU 21 HN GLU 21 0.022 10.426 6.069 150 HA GLU 21 HA GLU 21 -2.145 12.040 4.787 151 1HB GLU 21 HB2 GLU 21 -2.023 11.820 7.279 152 2HB GLU 21 HB1 GLU 21 -0.414 12.542 7.238 153 1HG GLU 21 HG1 GLU 21 -2.430 14.108 5.785 154 2HG GLU 21 HG2 GLU 21 -2.778 13.946 7.505 155 H ALA 22 HN ALA 22 1.317 11.695 5.073 156 HA ALA 22 HA ALA 22 1.928 14.377 4.045 157 1HB ALA 22 HB1 ALA 22 4.137 13.732 4.504 158 2HB ALA 22 HB2 ALA 22 3.828 12.043 4.104 159 3HB ALA 22 HB3 ALA 22 3.244 12.707 5.629 160 H GLU 23 HN GLU 23 1.553 11.112 2.757 161 HA GLU 23 HA GLU 23 2.661 11.831 0.132 162 1HB GLU 23 HB2 GLU 23 1.272 9.399 1.309 163 2HB GLU 23 HB1 GLU 23 1.972 9.447 -0.304 164 1HG GLU 23 HG1 GLU 23 4.005 10.432 1.322 165 2HG GLU 23 HG2 GLU 23 3.297 9.127 2.275 166 H GLY 24 HN GLY 24 -0.070 12.875 1.451 167 1HA GLY 24 HA2 GLY 24 -2.148 13.543 0.596 168 2HA GLY 24 HA1 GLY 24 -1.441 13.324 -1.004 169 H PHE 25 HN PHE 25 -1.576 10.683 1.301 170 HA PHE 25 HA PHE 25 -3.189 9.109 -0.589 171 1HB PHE 25 HB1 PHE 25 -1.285 8.789 1.593 172 2HB PHE 25 HB2 PHE 25 -2.673 7.742 1.833 173 HD1 PHE 25 HD1 PHE 25 -1.563 8.734 -1.558 174 HD2 PHE 25 HD2 PHE 25 -1.366 5.730 1.501 175 HE1 PHE 25 HE1 PHE 25 -0.616 7.131 -3.197 176 HE2 PHE 25 HE2 PHE 25 -0.420 4.123 -0.137 177 HZ PHE 25 HZ PHE 25 -0.043 4.825 -2.484 178 H THR 26 HN THR 26 -5.167 10.500 -0.252 179 HA THR 26 HA THR 26 -6.507 10.781 2.232 180 HB THR 26 HB THR 26 -6.918 11.945 0.050 181 HG1 THR 26 HG1 THR 26 -8.743 12.378 0.952 182 1HG2 THR 26 HG21 THR 26 -8.438 9.439 -0.694 183 2HG2 THR 26 HG22 THR 26 -6.816 9.795 -1.284 184 3HG2 THR 26 HG23 THR 26 -8.158 10.864 -1.698 185 HA PRO 27 HA PRO 27 -8.055 6.786 3.208 186 1HB PRO 27 HB2 PRO 27 -10.702 8.000 3.781 187 2HB PRO 27 HB1 PRO 27 -9.607 7.136 4.874 188 1HG PRO 27 HG2 PRO 27 -9.977 9.797 5.001 189 2HG PRO 27 HG1 PRO 27 -8.437 9.027 5.408 190 1HD PRO 27 HD2 PRO 27 -9.206 10.559 2.975 191 2HD PRO 27 HD1 PRO 27 -7.638 10.455 3.803 192 H GLY 28 HN GLY 28 -8.580 5.357 1.597 193 1HA GLY 28 HA2 GLY 28 -10.469 4.351 0.323 194 2HA GLY 28 HA1 GLY 28 -10.959 5.990 -0.102 195 H THR 29 HN THR 29 -7.652 4.706 -0.106 196 HA THR 29 HA THR 29 -7.561 5.247 -3.055 197 HB THR 29 HB THR 29 -5.272 5.194 -1.061 198 HG1 THR 29 HG1 THR 29 -5.956 7.033 -0.371 199 1HG2 THR 29 HG21 THR 29 -4.788 7.037 -3.093 200 2HG2 THR 29 HG22 THR 29 -5.581 5.698 -3.923 201 3HG2 THR 29 HG23 THR 29 -4.112 5.410 -2.990 202 H ARG 30 HN ARG 30 -7.091 3.512 -4.346 203 HA ARG 30 HA ARG 30 -6.213 0.975 -3.020 204 1HB ARG 30 HB2 ARG 30 -8.419 1.104 -4.221 205 2HB ARG 30 HB1 ARG 30 -7.545 1.480 -5.706 206 1HG ARG 30 HG1 ARG 30 -6.269 -0.679 -5.398 207 2HG ARG 30 HG2 ARG 30 -7.362 -1.064 -4.069 208 1HD ARG 30 HD2 ARG 30 -8.643 -0.248 -6.636 209 2HD ARG 30 HD1 ARG 30 -7.876 -1.846 -6.596 210 HE ARG 30 HE ARG 30 -9.447 -1.336 -4.204 211 1HH1 ARG 30 HH12 ARG 30 -9.610 -2.321 -7.539 212 2HH1 ARG 30 HH11 ARG 30 -11.067 -3.224 -7.315 213 1HH2 ARG 30 HH21 ARG 30 -11.338 -2.513 -3.938 214 2HH2 ARG 30 HH22 ARG 30 -12.041 -3.334 -5.291 215 H PHE 31 HN PHE 31 -4.358 -0.073 -3.785 216 HA PHE 31 HA PHE 31 -2.216 1.301 -4.929 217 1HB PHE 31 HB1 PHE 31 -2.954 -1.357 -4.194 218 2HB PHE 31 HB2 PHE 31 -2.230 -1.456 -5.799 219 HD1 PHE 31 HD1 PHE 31 -1.671 0.276 -2.513 220 HD2 PHE 31 HD2 PHE 31 0.091 -1.628 -5.937 221 HE1 PHE 31 HE1 PHE 31 0.578 0.546 -1.506 222 HE2 PHE 31 HE2 PHE 31 2.341 -1.356 -4.930 223 HZ PHE 31 HZ PHE 31 2.585 -0.270 -2.714 224 H GLU 32 HN GLU 32 -4.685 -0.630 -6.666 225 HA GLU 32 HA GLU 32 -3.651 -0.412 -9.288 226 1HB GLU 32 HB1 GLU 32 -5.547 -1.813 -8.675 227 2HB GLU 32 HB2 GLU 32 -6.491 -0.400 -8.205 228 1HG GLU 32 HG1 GLU 32 -6.904 0.219 -10.392 229 2HG GLU 32 HG2 GLU 32 -5.393 -0.472 -10.984 230 H ASP 33 HN ASP 33 -5.102 1.998 -7.227 231 HA ASP 33 HA ASP 33 -5.309 3.912 -9.514 232 1HB ASP 33 HB2 ASP 33 -6.646 3.467 -6.890 233 2HB ASP 33 HB1 ASP 33 -6.434 5.150 -7.369 234 H ILE 34 HN ILE 34 -2.830 3.010 -7.865 235 HA ILE 34 HA ILE 34 -1.986 5.756 -6.992 236 HB ILE 34 HB ILE 34 -1.284 2.957 -6.043 237 1HG1 ILE 34 HG12 ILE 34 -2.498 5.312 -4.577 238 2HG1 ILE 34 HG11 ILE 34 -3.438 3.997 -5.281 239 1HG2 ILE 34 HG21 ILE 34 -0.243 5.103 -4.397 240 2HG2 ILE 34 HG22 ILE 34 0.416 5.200 -6.029 241 3HG2 ILE 34 HG23 ILE 34 0.607 3.721 -5.088 242 1HD1 ILE 34 HD11 ILE 34 -1.216 3.067 -3.601 243 2HD1 ILE 34 HD12 ILE 34 -2.910 2.575 -3.595 244 3HD1 ILE 34 HD13 ILE 34 -2.409 4.019 -2.717 245 HA PRO 35 HA PRO 35 0.814 4.330 -10.410 246 1HB PRO 35 HB1 PRO 35 0.253 6.232 -12.267 247 2HB PRO 35 HB2 PRO 35 -0.762 4.789 -12.079 248 1HG PRO 35 HG2 PRO 35 -1.215 7.573 -11.112 249 2HG PRO 35 HG1 PRO 35 -2.370 6.411 -11.780 250 1HD PRO 35 HD2 PRO 35 -2.034 6.936 -9.087 251 2HD PRO 35 HD1 PRO 35 -2.745 5.453 -9.754 252 H ASP 36 HN ASP 36 0.777 6.668 -8.179 253 HA ASP 36 HA ASP 36 2.706 8.536 -9.408 254 1HB ASP 36 HB2 ASP 36 0.900 8.369 -7.089 255 2HB ASP 36 HB1 ASP 36 2.444 9.136 -6.715 256 H ASP 37 HN ASP 37 3.474 5.664 -8.916 257 HA ASP 37 HA ASP 37 5.307 4.468 -8.032 258 1HB ASP 37 HB2 ASP 37 6.233 6.501 -9.332 259 2HB ASP 37 HB1 ASP 37 6.508 7.235 -7.752 260 H TRP 38 HN TRP 38 3.342 5.045 -6.065 261 HA TRP 38 HA TRP 38 4.166 6.364 -3.720 262 1HB TRP 38 HB1 TRP 38 1.946 5.385 -4.099 263 2HB TRP 38 HB2 TRP 38 2.641 3.764 -4.125 264 HD1 TRP 38 HD1 TRP 38 2.371 6.766 -1.695 265 HE1 TRP 38 HE1 TRP 38 2.221 5.835 0.706 266 HE3 TRP 38 HE3 TRP 38 2.881 1.777 -2.649 267 HZ2 TRP 38 HZ2 TRP 38 2.307 3.311 2.042 268 HZ3 TRP 38 HZ3 TRP 38 2.843 0.133 -0.798 269 HH2 TRP 38 HH2 TRP 38 2.555 0.893 1.546 270 H CYS 39 HN CYS 39 5.329 5.617 -1.842 271 HA CYS 39 HA CYS 39 6.986 3.156 -2.274 272 1HB CYS 39 HB1 CYS 39 7.788 5.941 -1.358 273 2HB CYS 39 HB2 CYS 39 8.860 4.542 -1.274 274 HG CYS 39 HG CYS 39 9.429 5.168 -3.612 275 H CYS 40 HN CYS 40 8.372 3.096 0.054 276 HA CYS 40 HA CYS 40 6.318 2.402 2.028 277 1HB CYS 40 HB1 CYS 40 8.940 1.651 1.302 278 2HB CYS 40 HB2 CYS 40 9.094 2.363 2.905 279 HA PRO 41 HA PRO 41 6.529 6.042 4.496 280 1HB PRO 41 HB1 PRO 41 6.819 4.483 6.978 281 2HB PRO 41 HB2 PRO 41 5.444 5.454 6.429 282 1HG PRO 41 HG1 PRO 41 5.411 2.746 6.541 283 2HG PRO 41 HG2 PRO 41 4.448 3.688 5.394 284 1HD PRO 41 HD1 PRO 41 6.955 2.144 4.946 285 2HD PRO 41 HD2 PRO 41 5.568 2.395 3.863 286 H ASP 42 HN ASP 42 8.881 3.499 5.241 287 HA ASP 42 HA ASP 42 10.996 5.562 5.509 288 1HB ASP 42 HB1 ASP 42 9.970 3.697 7.645 289 2HB ASP 42 HB2 ASP 42 11.662 4.192 7.664 290 H CYS 43 HN CYS 43 10.906 3.991 3.353 291 HA CYS 43 HA CYS 43 13.038 1.950 3.834 292 1HB CYS 43 HB1 CYS 43 10.467 1.246 3.651 293 2HB CYS 43 HB2 CYS 43 10.786 1.409 1.926 294 H GLY 44 HN GLY 44 11.061 3.401 1.212 295 1HA GLY 44 HA1 GLY 44 11.896 4.729 -0.600 296 2HA GLY 44 HA2 GLY 44 13.538 4.288 -0.133 297 H ALA 45 HN ALA 45 10.778 2.118 -0.719 298 HA ALA 45 HA ALA 45 12.353 0.910 -2.971 299 1HB ALA 45 HB1 ALA 45 12.204 -1.029 -1.806 300 2HB ALA 45 HB2 ALA 45 10.449 -0.879 -1.732 301 3HB ALA 45 HB3 ALA 45 11.450 -0.134 -0.487 302 H THR 46 HN THR 46 10.838 -0.385 -4.475 303 HA THR 46 HA THR 46 8.548 1.351 -5.198 304 HB THR 46 HB THR 46 8.644 -0.073 -7.268 305 HG1 THR 46 HG1 THR 46 10.382 -1.554 -7.378 306 1HG2 THR 46 HG21 THR 46 10.798 1.592 -6.191 307 2HG2 THR 46 HG22 THR 46 10.059 1.611 -7.792 308 3HG2 THR 46 HG23 THR 46 11.356 0.471 -7.433 309 H LYS 47 HN LYS 47 6.759 -0.282 -6.349 310 HA LYS 47 HA LYS 47 5.314 -1.485 -4.195 311 1HB LYS 47 HB1 LYS 47 5.173 -1.852 -7.212 312 2HB LYS 47 HB2 LYS 47 3.903 -2.330 -6.083 313 1HG LYS 47 HG1 LYS 47 3.074 -0.244 -6.362 314 2HG LYS 47 HG2 LYS 47 4.429 0.302 -5.374 315 1HD LYS 47 HD2 LYS 47 5.105 1.504 -7.162 316 2HD LYS 47 HD1 LYS 47 5.526 -0.030 -7.925 317 1HE LYS 47 HE2 LYS 47 2.658 0.518 -8.107 318 2HE LYS 47 HE1 LYS 47 3.634 1.781 -8.879 319 1HZ LYS 47 HZ1 LYS 47 4.931 -0.001 -9.956 320 2HZ LYS 47 HZ2 LYS 47 3.300 -0.023 -10.428 321 3HZ LYS 47 HZ3 LYS 47 3.873 -1.155 -9.300 322 H GLU 48 HN GLU 48 7.953 -2.667 -6.093 323 HA GLU 48 HA GLU 48 7.473 -5.441 -6.232 324 1HB GLU 48 HB2 GLU 48 9.387 -4.252 -7.232 325 2HB GLU 48 HB1 GLU 48 10.018 -3.890 -5.625 326 1HG GLU 48 HG1 GLU 48 9.579 -6.677 -5.666 327 2HG GLU 48 HG2 GLU 48 10.346 -6.291 -7.206 328 H ASP 49 HN ASP 49 8.648 -3.484 -3.502 329 HA ASP 49 HA ASP 49 9.102 -5.774 -1.757 330 1HB ASP 49 HB1 ASP 49 8.838 -2.773 -1.359 331 2HB ASP 49 HB2 ASP 49 9.299 -3.884 -0.069 332 H TYR 50 HN TYR 50 6.335 -3.865 -2.647 333 HA TYR 50 HA TYR 50 4.810 -4.656 -0.232 334 1HB TYR 50 HB1 TYR 50 4.669 -2.694 -2.458 335 2HB TYR 50 HB2 TYR 50 3.115 -3.282 -1.874 336 HD1 TYR 50 HD1 TYR 50 6.000 -1.201 -1.164 337 HD2 TYR 50 HD2 TYR 50 2.555 -3.083 0.580 338 HE1 TYR 50 HE1 TYR 50 6.190 0.286 0.813 339 HE2 TYR 50 HE2 TYR 50 2.744 -1.596 2.556 340 HH TYR 50 HH TYR 50 3.704 0.385 3.278 341 H VAL 51 HN VAL 51 3.448 -6.396 -0.258 342 HA VAL 51 HA VAL 51 2.627 -7.514 -2.921 343 HB VAL 51 HB VAL 51 2.855 -9.734 -1.816 344 1HG1 VAL 51 HG11 VAL 51 5.098 -9.819 -2.239 345 2HG1 VAL 51 HG12 VAL 51 5.455 -8.481 -1.147 346 3HG1 VAL 51 HG13 VAL 51 4.857 -8.156 -2.773 347 1HG2 VAL 51 HG21 VAL 51 3.751 -9.922 0.419 348 2HG2 VAL 51 HG22 VAL 51 2.370 -8.828 0.493 349 3HG2 VAL 51 HG23 VAL 51 4.011 -8.180 0.515 350 H LEU 52 HN LEU 52 0.642 -9.028 -2.580 351 HA LEU 52 HA LEU 52 -1.448 -7.483 -1.250 352 1HB LEU 52 HB2 LEU 52 -1.293 -9.029 -3.447 353 2HB LEU 52 HB1 LEU 52 -1.841 -10.252 -2.309 354 HG LEU 52 HG LEU 52 -3.771 -9.191 -3.387 355 1HD1 LEU 52 HD11 LEU 52 -3.894 -9.833 -0.972 356 2HD1 LEU 52 HD12 LEU 52 -4.980 -8.508 -1.392 357 3HD1 LEU 52 HD13 LEU 52 -3.466 -8.175 -0.549 358 1HD2 LEU 52 HD21 LEU 52 -3.430 -6.562 -2.144 359 2HD2 LEU 52 HD22 LEU 52 -3.886 -6.969 -3.798 360 3HD2 LEU 52 HD23 LEU 52 -2.183 -6.913 -3.340 361 H TYR 53 HN TYR 53 -1.777 -7.695 0.929 362 HA TYR 53 HA TYR 53 -0.719 -9.869 2.503 363 1HB TYR 53 HB2 TYR 53 -1.218 -7.468 3.185 364 2HB TYR 53 HB1 TYR 53 -2.928 -7.904 3.196 365 HD1 TYR 53 HD1 TYR 53 0.370 -8.580 4.752 366 HD2 TYR 53 HD2 TYR 53 -3.866 -9.258 4.952 367 HE1 TYR 53 HE1 TYR 53 0.632 -9.535 7.025 368 HE2 TYR 53 HE2 TYR 53 -3.605 -10.215 7.225 369 HH TYR 53 HH TYR 53 -1.866 -11.260 8.589 370 H GLU 54 HN GLU 54 -1.729 -11.728 3.237 371 HA GLU 54 HA GLU 54 -3.296 -13.498 3.226 372 1HB GLU 54 HB1 GLU 54 -4.281 -11.223 4.417 373 2HB GLU 54 HB2 GLU 54 -5.544 -11.574 3.238 374 1HG GLU 54 HG1 GLU 54 -4.540 -13.922 4.732 375 2HG GLU 54 HG2 GLU 54 -5.406 -12.733 5.706 376 H GLU 55 HN GLU 55 -3.014 -14.226 1.028 377 HA GLU 55 HA GLU 55 -4.131 -13.056 -1.298 378 1HB GLU 55 HB1 GLU 55 -2.474 -14.975 -1.043 379 2HB GLU 55 HB2 GLU 55 -3.849 -16.015 -0.672 380 1HG GLU 55 HG1 GLU 55 -4.172 -16.295 -2.883 381 2HG GLU 55 HG2 GLU 55 -4.551 -14.578 -3.007 382 H LYS 56 HN LYS 56 -6.280 -12.560 -1.555 383 HA LYS 56 HA LYS 56 -8.631 -12.776 -1.498 384 1HB LYS 56 HB1 LYS 56 -7.800 -14.751 -2.877 385 2HB LYS 56 HB2 LYS 56 -7.929 -15.730 -1.416 386 1HG LYS 56 HG1 LYS 56 -10.356 -14.222 -1.762 387 2HG LYS 56 HG2 LYS 56 -9.993 -15.087 -3.255 388 1HD LYS 56 HD1 LYS 56 -9.608 -16.628 -0.749 389 2HD LYS 56 HD2 LYS 56 -11.278 -16.227 -1.153 390 1HE LYS 56 HE1 LYS 56 -11.226 -17.462 -3.144 391 2HE LYS 56 HE2 LYS 56 -9.462 -17.348 -3.282 392 1HZ LYS 56 HZ1 LYS 56 -10.450 -19.534 -2.416 393 2HZ LYS 56 HZ2 LYS 56 -10.745 -18.685 -0.975 394 3HZ LYS 56 HZ3 LYS 56 -9.156 -18.858 -1.549 Start of MODEL 11 1 H ALA 1 HT1 ALA 1 -15.451 -2.593 -1.790 2 HA ALA 1 HA ALA 1 -14.996 -2.886 0.551 3 1HB ALA 1 HB1 ALA 1 -13.796 -4.990 1.196 4 2HB ALA 1 HB2 ALA 1 -13.945 -5.551 -0.470 5 3HB ALA 1 HB3 ALA 1 -15.390 -5.312 0.514 6 H TYR 2 HN TYR 2 -12.537 -3.186 1.441 7 HA TYR 2 HA TYR 2 -10.742 -2.023 -0.667 8 1HB TYR 2 HB2 TYR 2 -11.288 -1.383 2.229 9 2HB TYR 2 HB1 TYR 2 -9.736 -0.944 1.514 10 HD1 TYR 2 HD1 TYR 2 -9.909 0.238 -0.865 11 HD2 TYR 2 HD2 TYR 2 -13.056 0.125 2.056 12 HE1 TYR 2 HE1 TYR 2 -10.960 2.221 -1.921 13 HE2 TYR 2 HE2 TYR 2 -14.107 2.108 1.000 14 HH TYR 2 HH TYR 2 -13.013 3.357 -2.059 15 H LEU 3 HN LEU 3 -8.660 -2.840 -0.779 16 HA LEU 3 HA LEU 3 -8.084 -5.224 0.938 17 1HB LEU 3 HB1 LEU 3 -7.523 -4.362 -1.882 18 2HB LEU 3 HB2 LEU 3 -6.376 -5.455 -1.108 19 HG LEU 3 HG LEU 3 -8.422 -6.869 -0.456 20 1HD1 LEU 3 HD21 LEU 3 -10.125 -5.157 -0.948 21 2HD1 LEU 3 HD22 LEU 3 -10.379 -6.588 -1.947 22 3HD1 LEU 3 HD23 LEU 3 -9.634 -5.149 -2.643 23 1HD2 LEU 3 HD11 LEU 3 -8.378 -7.010 -3.374 24 2HD2 LEU 3 HD12 LEU 3 -7.813 -8.187 -2.188 25 3HD2 LEU 3 HD13 LEU 3 -6.760 -6.863 -2.688 26 H LYS 4 HN LYS 4 -5.819 -5.513 1.615 27 HA LYS 4 HA LYS 4 -4.390 -2.899 1.950 28 1HB LYS 4 HB1 LYS 4 -4.292 -5.428 3.635 29 2HB LYS 4 HB2 LYS 4 -3.570 -3.875 4.047 30 1HG LYS 4 HG2 LYS 4 -5.724 -2.838 4.276 31 2HG LYS 4 HG1 LYS 4 -6.539 -4.232 3.570 32 1HD LYS 4 HD2 LYS 4 -5.483 -5.562 5.543 33 2HD LYS 4 HD1 LYS 4 -5.250 -3.979 6.282 34 1HE LYS 4 HE2 LYS 4 -7.406 -4.074 6.984 35 2HE LYS 4 HE1 LYS 4 -7.908 -4.005 5.285 36 1HZ LYS 4 HZ1 LYS 4 -7.591 -6.394 5.127 37 2HZ LYS 4 HZ2 LYS 4 -8.694 -6.041 6.368 38 3HZ LYS 4 HZ3 LYS 4 -7.094 -6.466 6.749 39 H TRP 5 HN TRP 5 -1.983 -3.078 1.938 40 HA TRP 5 HA TRP 5 -1.031 -5.433 0.327 41 1HB TRP 5 HB2 TRP 5 -0.278 -2.496 0.064 42 2HB TRP 5 HB1 TRP 5 0.326 -3.806 -0.948 43 HD1 TRP 5 HD1 TRP 5 -3.131 -2.400 0.081 44 HE1 TRP 5 HE1 TRP 5 -4.671 -2.462 -1.973 45 HE3 TRP 5 HE3 TRP 5 0.032 -4.540 -3.305 46 HZ2 TRP 5 HZ2 TRP 5 -4.579 -3.320 -4.708 47 HZ3 TRP 5 HZ3 TRP 5 -0.721 -4.971 -5.627 48 HH2 TRP 5 HH2 TRP 5 -3.020 -4.364 -6.331 49 H ILE 6 HN ILE 6 0.805 -6.391 1.140 50 HA ILE 6 HA ILE 6 2.140 -5.042 3.443 51 HB ILE 6 HB ILE 6 1.194 -7.241 3.881 52 1HG1 ILE 6 HG12 ILE 6 3.160 -8.466 4.623 53 2HG1 ILE 6 HG11 ILE 6 4.183 -7.565 3.508 54 1HG2 ILE 6 HG21 ILE 6 2.421 -9.160 2.475 55 2HG2 ILE 6 HG22 ILE 6 2.511 -7.870 1.279 56 3HG2 ILE 6 HG23 ILE 6 0.945 -8.389 1.895 57 1HD1 ILE 6 HD11 ILE 6 4.448 -5.925 5.020 58 2HD1 ILE 6 HD12 ILE 6 3.520 -6.879 6.175 59 3HD1 ILE 6 HD13 ILE 6 2.703 -5.714 5.138 60 H CYS 7 HN CYS 7 4.332 -4.627 3.428 61 HA CYS 7 HA CYS 7 5.714 -4.802 0.812 62 1HB CYS 7 HB2 CYS 7 5.564 -2.746 2.332 63 2HB CYS 7 HB1 CYS 7 6.634 -3.601 3.444 64 H ILE 8 HN ILE 8 6.509 -6.914 0.579 65 HA ILE 8 HA ILE 8 7.397 -8.649 2.612 66 HB ILE 8 HB ILE 8 6.949 -9.284 0.290 67 1HG1 ILE 8 HG12 ILE 8 9.817 -9.896 0.393 68 2HG1 ILE 8 HG11 ILE 8 8.934 -10.298 1.862 69 1HG2 ILE 8 HG21 ILE 8 8.446 -7.033 -0.266 70 2HG2 ILE 8 HG22 ILE 8 7.889 -8.213 -1.452 71 3HG2 ILE 8 HG23 ILE 8 9.503 -8.355 -0.757 72 1HD1 ILE 8 HD11 ILE 8 9.052 -12.088 -0.017 73 2HD1 ILE 8 HD12 ILE 8 7.880 -11.073 -0.857 74 3HD1 ILE 8 HD13 ILE 8 7.480 -11.766 0.715 75 H THR 9 HN THR 9 8.947 -5.846 1.287 76 HA THR 9 HA THR 9 11.679 -6.513 1.846 77 HB THR 9 HB THR 9 10.248 -3.831 1.784 78 HG1 THR 9 HG1 THR 9 11.430 -5.377 -0.279 79 1HG2 THR 9 HG21 THR 9 13.114 -4.697 1.692 80 2HG2 THR 9 HG22 THR 9 12.394 -3.291 2.478 81 3HG2 THR 9 HG23 THR 9 12.626 -3.302 0.730 82 H CYS 10 HN CYS 10 9.138 -4.982 3.829 83 HA CYS 10 HA CYS 10 10.985 -5.246 6.180 84 1HB CYS 10 HB1 CYS 10 10.012 -3.079 6.949 85 2HB CYS 10 HB2 CYS 10 10.829 -2.920 5.395 86 H GLY 11 HN GLY 11 7.622 -5.225 5.011 87 1HA GLY 11 HA2 GLY 11 6.057 -6.883 5.939 88 2HA GLY 11 HA1 GLY 11 6.881 -6.717 7.488 89 H HIS 12 HN HIS 12 5.794 -4.141 5.284 90 HA HIS 12 HA HIS 12 4.199 -3.011 7.548 91 1HB HIS 12 HB2 HIS 12 6.082 -1.726 6.447 92 2HB HIS 12 HB1 HIS 12 5.147 -1.745 4.951 93 HD1 HIS 12 HD1 HIS 12 4.080 0.485 4.676 94 HD2 HIS 12 HD2 HIS 12 3.987 -0.766 8.651 95 HE1 HIS 12 HE1 HIS 12 2.806 2.260 5.956 96 H ILE 13 HN ILE 13 1.995 -3.128 7.384 97 HA ILE 13 HA ILE 13 0.804 -4.029 4.823 98 HB ILE 13 HB ILE 13 -0.186 -3.704 7.677 99 1HG1 ILE 13 HG11 ILE 13 -0.251 -6.320 6.331 100 2HG1 ILE 13 HG12 ILE 13 1.370 -5.655 6.518 101 1HG2 ILE 13 HG21 ILE 13 -2.247 -3.549 6.705 102 2HG2 ILE 13 HG22 ILE 13 -2.045 -5.281 6.443 103 3HG2 ILE 13 HG23 ILE 13 -1.664 -4.143 5.150 104 1HD1 ILE 13 HD11 ILE 13 0.831 -6.962 8.499 105 2HD1 ILE 13 HD12 ILE 13 -0.681 -6.078 8.712 106 3HD1 ILE 13 HD13 ILE 13 0.863 -5.256 8.943 107 H TYR 14 HN TYR 14 -0.373 -2.707 3.529 108 HA TYR 14 HA TYR 14 -0.762 0.131 4.347 109 1HB TYR 14 HB1 TYR 14 0.358 -0.275 2.225 110 2HB TYR 14 HB2 TYR 14 -0.898 -1.406 1.724 111 HD1 TYR 14 HD1 TYR 14 -0.181 2.169 2.455 112 HD2 TYR 14 HD2 TYR 14 -2.962 -0.639 0.760 113 HE1 TYR 14 HE1 TYR 14 -1.474 4.042 1.468 114 HE2 TYR 14 HE2 TYR 14 -4.249 1.233 -0.225 115 HH TYR 14 HH TYR 14 -4.484 3.883 0.504 116 H ASP 15 HN ASP 15 -2.795 0.878 4.819 117 HA ASP 15 HA ASP 15 -5.088 -1.001 4.471 118 1HB ASP 15 HB2 ASP 15 -4.335 0.057 6.704 119 2HB ASP 15 HB1 ASP 15 -4.958 1.578 6.062 120 H GLU 16 HN GLU 16 -5.923 -0.602 2.418 121 HA GLU 16 HA GLU 16 -5.901 1.776 0.942 122 1HB GLU 16 HB2 GLU 16 -7.594 -0.686 1.131 123 2HB GLU 16 HB1 GLU 16 -8.186 0.631 0.121 124 1HG GLU 16 HG1 GLU 16 -6.021 0.657 -1.090 125 2HG GLU 16 HG2 GLU 16 -5.465 -0.691 -0.099 126 H ALA 17 HN ALA 17 -7.863 0.957 3.717 127 HA ALA 17 HA ALA 17 -9.798 3.132 3.224 128 1HB ALA 17 HB1 ALA 17 -9.909 2.008 5.863 129 2HB ALA 17 HB2 ALA 17 -9.609 0.700 4.719 130 3HB ALA 17 HB3 ALA 17 -11.021 1.738 4.522 131 H LEU 18 HN LEU 18 -6.697 3.341 4.007 132 HA LEU 18 HA LEU 18 -6.898 5.866 5.362 133 1HB LEU 18 HB1 LEU 18 -7.471 3.827 7.035 134 2HB LEU 18 HB2 LEU 18 -5.714 3.803 7.176 135 HG LEU 18 HG LEU 18 -5.839 6.313 7.601 136 1HD1 LEU 18 HD21 LEU 18 -8.137 6.988 8.540 137 2HD1 LEU 18 HD22 LEU 18 -8.768 5.574 7.695 138 3HD1 LEU 18 HD23 LEU 18 -8.001 6.876 6.786 139 1HD2 LEU 18 HD11 LEU 18 -5.978 5.941 9.878 140 2HD2 LEU 18 HD12 LEU 18 -5.829 4.273 9.325 141 3HD2 LEU 18 HD13 LEU 18 -7.415 4.930 9.732 142 H GLY 19 HN GLY 19 -5.441 5.707 3.286 143 1HA GLY 19 HA1 GLY 19 -2.893 4.432 3.403 144 2HA GLY 19 HA2 GLY 19 -3.298 5.781 2.347 145 H ASP 20 HN ASP 20 -1.515 7.077 2.640 146 HA ASP 20 HA ASP 20 -0.465 7.597 5.346 147 1HB ASP 20 HB2 ASP 20 0.908 7.202 3.260 148 2HB ASP 20 HB1 ASP 20 0.297 8.733 2.630 149 H GLU 21 HN GLU 21 -0.102 9.892 6.024 150 HA GLU 21 HA GLU 21 -2.438 11.605 5.270 151 1HB GLU 21 HB1 GLU 21 -0.642 11.400 7.713 152 2HB GLU 21 HB2 GLU 21 -1.854 12.667 7.515 153 1HG GLU 21 HG1 GLU 21 -3.333 10.443 6.944 154 2HG GLU 21 HG2 GLU 21 -2.207 9.797 8.138 155 H ALA 22 HN ALA 22 1.080 11.521 5.593 156 HA ALA 22 HA ALA 22 1.544 14.338 5.153 157 1HB ALA 22 HB1 ALA 22 3.139 11.776 4.900 158 2HB ALA 22 HB2 ALA 22 3.261 13.016 6.150 159 3HB ALA 22 HB3 ALA 22 3.858 13.342 4.522 160 H GLU 23 HN GLU 23 1.849 11.512 2.957 161 HA GLU 23 HA GLU 23 2.378 13.001 0.582 162 1HB GLU 23 HB1 GLU 23 2.703 10.554 0.926 163 2HB GLU 23 HB2 GLU 23 0.953 10.342 0.990 164 1HG GLU 23 HG2 GLU 23 1.735 9.812 -1.257 165 2HG GLU 23 HG1 GLU 23 0.802 11.307 -1.315 166 H GLY 24 HN GLY 24 -0.612 12.271 2.278 167 1HA GLY 24 HA2 GLY 24 -2.584 13.664 1.970 168 2HA GLY 24 HA1 GLY 24 -2.056 13.984 0.319 169 H PHE 25 HN PHE 25 -1.971 10.739 1.661 170 HA PHE 25 HA PHE 25 -3.523 9.663 -0.506 171 1HB PHE 25 HB2 PHE 25 -2.086 8.791 1.871 172 2HB PHE 25 HB1 PHE 25 -3.571 7.863 1.657 173 HD1 PHE 25 HD1 PHE 25 -0.955 9.347 -0.578 174 HD2 PHE 25 HD2 PHE 25 -3.316 5.910 0.418 175 HE1 PHE 25 HE1 PHE 25 0.108 8.082 -2.433 176 HE2 PHE 25 HE2 PHE 25 -2.261 4.641 -1.432 177 HZ PHE 25 HZ PHE 25 -0.550 5.725 -2.862 178 H THR 26 HN THR 26 -5.469 11.029 -0.396 179 HA THR 26 HA THR 26 -7.218 11.367 1.751 180 HB THR 26 HB THR 26 -7.307 12.346 -0.551 181 HG1 THR 26 HG1 THR 26 -9.628 11.042 0.419 182 1HG2 THR 26 HG21 THR 26 -8.376 9.595 -1.226 183 2HG2 THR 26 HG22 THR 26 -6.912 10.344 -1.859 184 3HG2 THR 26 HG23 THR 26 -8.493 10.991 -2.297 185 HA PRO 27 HA PRO 27 -8.694 7.377 2.889 186 1HB PRO 27 HB2 PRO 27 -11.384 8.641 3.118 187 2HB PRO 27 HB1 PRO 27 -10.443 7.774 4.345 188 1HG PRO 27 HG2 PRO 27 -10.735 10.442 4.378 189 2HG PRO 27 HG1 PRO 27 -9.263 9.642 4.946 190 1HD PRO 27 HD1 PRO 27 -9.745 11.162 2.440 191 2HD PRO 27 HD2 PRO 27 -8.256 10.987 3.393 192 H GLY 28 HN GLY 28 -8.988 5.884 1.278 193 1HA GLY 28 HA2 GLY 28 -10.750 4.764 -0.098 194 2HA GLY 28 HA1 GLY 28 -11.204 6.367 -0.674 195 H THR 29 HN THR 29 -7.829 5.596 -0.255 196 HA THR 29 HA THR 29 -7.468 5.804 -3.204 197 HB THR 29 HB THR 29 -5.491 5.857 -0.892 198 HG1 THR 29 HG1 THR 29 -6.285 7.760 -0.596 199 1HG2 THR 29 HG21 THR 29 -4.260 5.387 -2.852 200 2HG2 THR 29 HG22 THR 29 -4.165 7.143 -2.716 201 3HG2 THR 29 HG23 THR 29 -5.296 6.406 -3.852 202 H ARG 30 HN ARG 30 -7.376 3.870 -4.266 203 HA ARG 30 HA ARG 30 -6.526 1.427 -2.808 204 1HB ARG 30 HB2 ARG 30 -8.617 1.632 -4.235 205 2HB ARG 30 HB1 ARG 30 -7.564 1.802 -5.640 206 1HG ARG 30 HG1 ARG 30 -6.898 -0.403 -5.579 207 2HG ARG 30 HG2 ARG 30 -7.053 -0.509 -3.827 208 1HD ARG 30 HD1 ARG 30 -8.871 -1.816 -4.612 209 2HD ARG 30 HD2 ARG 30 -9.625 -0.242 -4.293 210 HE ARG 30 HE ARG 30 -8.684 -0.028 -6.900 211 1HH1 ARG 30 HH12 ARG 30 -10.756 -2.246 -5.193 212 2HH1 ARG 30 HH11 ARG 30 -11.686 -2.630 -6.599 213 1HH2 ARG 30 HH22 ARG 30 -9.908 -0.544 -8.711 214 2HH2 ARG 30 HH21 ARG 30 -11.212 -1.676 -8.576 215 H PHE 31 HN PHE 31 -4.673 0.259 -3.374 216 HA PHE 31 HA PHE 31 -2.383 1.499 -4.419 217 1HB PHE 31 HB1 PHE 31 -3.090 -0.924 -3.341 218 2HB PHE 31 HB2 PHE 31 -2.738 -1.388 -5.006 219 HD1 PHE 31 HD1 PHE 31 -0.502 -1.194 -5.929 220 HD2 PHE 31 HD2 PHE 31 -1.346 0.057 -1.908 221 HE1 PHE 31 HE1 PHE 31 1.929 -1.081 -5.454 222 HE2 PHE 31 HE2 PHE 31 1.085 0.171 -1.434 223 HZ PHE 31 HZ PHE 31 2.722 -0.399 -3.208 224 H GLU 32 HN GLU 32 -5.071 0.014 -6.142 225 HA GLU 32 HA GLU 32 -3.931 -0.464 -8.680 226 1HB GLU 32 HB1 GLU 32 -6.212 -1.059 -8.016 227 2HB GLU 32 HB2 GLU 32 -6.644 0.645 -7.877 228 1HG GLU 32 HG1 GLU 32 -7.204 0.637 -10.060 229 2HG GLU 32 HG2 GLU 32 -5.518 0.301 -10.458 230 H ASP 33 HN ASP 33 -4.946 2.562 -7.160 231 HA ASP 33 HA ASP 33 -4.367 4.127 -9.602 232 1HB ASP 33 HB1 ASP 33 -6.209 4.387 -7.687 233 2HB ASP 33 HB2 ASP 33 -4.924 5.296 -6.892 234 H ILE 34 HN ILE 34 -2.394 2.682 -7.437 235 HA ILE 34 HA ILE 34 -0.596 5.022 -7.014 236 HB ILE 34 HB ILE 34 -0.779 2.196 -5.920 237 1HG1 ILE 34 HG12 ILE 34 -1.031 4.941 -4.663 238 2HG1 ILE 34 HG11 ILE 34 -2.353 3.820 -4.979 239 1HG2 ILE 34 HG21 ILE 34 1.140 2.769 -4.475 240 2HG2 ILE 34 HG22 ILE 34 1.327 4.296 -5.336 241 3HG2 ILE 34 HG23 ILE 34 1.600 2.770 -6.178 242 1HD1 ILE 34 HD11 ILE 34 -0.788 2.185 -3.544 243 2HD1 ILE 34 HD12 ILE 34 -1.943 3.273 -2.774 244 3HD1 ILE 34 HD13 ILE 34 -0.239 3.719 -2.872 245 HA PRO 35 HA PRO 35 1.207 3.211 -10.807 246 1HB PRO 35 HB1 PRO 35 2.813 5.454 -11.252 247 2HB PRO 35 HB2 PRO 35 1.184 5.226 -11.913 248 1HG PRO 35 HG2 PRO 35 2.079 6.807 -9.561 249 2HG PRO 35 HG1 PRO 35 0.790 7.144 -10.726 250 1HD PRO 35 HD2 PRO 35 0.304 6.236 -8.225 251 2HD PRO 35 HD1 PRO 35 -0.735 5.834 -9.609 252 H ASP 36 HN ASP 36 3.545 5.445 -9.334 253 HA ASP 36 HA ASP 36 5.085 3.216 -8.152 254 1HB ASP 36 HB1 ASP 36 7.021 3.661 -9.640 255 2HB ASP 36 HB2 ASP 36 5.603 3.182 -10.575 256 H ASP 37 HN ASP 37 4.937 6.684 -8.972 257 HA ASP 37 HA ASP 37 7.054 7.773 -7.570 258 1HB ASP 37 HB2 ASP 37 4.971 8.754 -8.868 259 2HB ASP 37 HB1 ASP 37 4.289 8.918 -7.250 260 H TRP 38 HN TRP 38 4.141 6.338 -6.174 261 HA TRP 38 HA TRP 38 4.623 7.320 -3.475 262 1HB TRP 38 HB1 TRP 38 2.400 6.681 -4.317 263 2HB TRP 38 HB2 TRP 38 2.967 5.038 -4.616 264 HD1 TRP 38 HD1 TRP 38 2.174 7.457 -1.752 265 HE1 TRP 38 HE1 TRP 38 1.826 6.090 0.408 266 HE3 TRP 38 HE3 TRP 38 3.474 2.813 -3.427 267 HZ2 TRP 38 HZ2 TRP 38 2.064 3.386 1.304 268 HZ3 TRP 38 HZ3 TRP 38 3.405 0.862 -1.900 269 HH2 TRP 38 HH2 TRP 38 2.700 1.144 0.459 270 H CYS 39 HN CYS 39 5.802 6.313 -1.854 271 HA CYS 39 HA CYS 39 7.036 3.657 -2.505 272 1HB CYS 39 HB1 CYS 39 8.198 6.171 -1.260 273 2HB CYS 39 HB2 CYS 39 9.031 4.617 -1.242 274 HG CYS 39 HG CYS 39 9.745 6.028 -3.390 275 H CYS 40 HN CYS 40 8.159 2.941 -0.207 276 HA CYS 40 HA CYS 40 5.892 2.553 1.607 277 1HB CYS 40 HB1 CYS 40 8.091 1.116 0.832 278 2HB CYS 40 HB2 CYS 40 8.640 1.740 2.387 279 HA PRO 41 HA PRO 41 6.961 5.999 4.184 280 1HB PRO 41 HB2 PRO 41 5.520 5.270 6.420 281 2HB PRO 41 HB1 PRO 41 4.786 5.991 4.976 282 1HG PRO 41 HG2 PRO 41 4.877 3.149 5.845 283 2HG PRO 41 HG1 PRO 41 3.580 4.041 5.039 284 1HD PRO 41 HD2 PRO 41 5.259 2.303 3.759 285 2HD PRO 41 HD1 PRO 41 4.452 3.667 2.958 286 H ASP 42 HN ASP 42 7.629 2.686 4.958 287 HA ASP 42 HA ASP 42 9.410 3.531 7.214 288 1HB ASP 42 HB2 ASP 42 7.494 1.435 6.785 289 2HB ASP 42 HB1 ASP 42 9.078 0.696 7.016 290 H CYS 43 HN CYS 43 9.596 2.792 3.952 291 HA CYS 43 HA CYS 43 12.429 1.896 4.274 292 1HB CYS 43 HB2 CYS 43 10.348 0.761 2.376 293 2HB CYS 43 HB1 CYS 43 12.026 0.236 2.488 294 H GLY 44 HN GLY 44 10.208 2.504 1.532 295 1HA GLY 44 HA1 GLY 44 10.327 4.577 0.209 296 2HA GLY 44 HA2 GLY 44 12.022 4.714 0.676 297 H ALA 45 HN ALA 45 10.525 1.686 -0.320 298 HA ALA 45 HA ALA 45 12.475 1.520 -2.556 299 1HB ALA 45 HB1 ALA 45 10.575 -0.674 -1.844 300 2HB ALA 45 HB2 ALA 45 11.754 -0.212 -0.616 301 3HB ALA 45 HB3 ALA 45 12.301 -0.761 -2.200 302 H THR 46 HN THR 46 11.224 -0.121 -4.323 303 HA THR 46 HA THR 46 9.249 1.678 -5.577 304 HB THR 46 HB THR 46 9.532 -0.299 -7.330 305 HG1 THR 46 HG1 THR 46 11.561 -1.315 -6.991 306 1HG2 THR 46 HG21 THR 46 10.602 2.136 -7.127 307 2HG2 THR 46 HG22 THR 46 11.162 0.989 -8.343 308 3HG2 THR 46 HG23 THR 46 12.071 1.202 -6.847 309 H LYS 47 HN LYS 47 7.402 0.357 -6.782 310 HA LYS 47 HA LYS 47 5.626 -0.705 -4.792 311 1HB LYS 47 HB2 LYS 47 4.876 0.406 -6.835 312 2HB LYS 47 HB1 LYS 47 5.687 -0.800 -7.833 313 1HG LYS 47 HG1 LYS 47 3.830 -1.978 -5.891 314 2HG LYS 47 HG2 LYS 47 3.039 -0.902 -7.041 315 1HD LYS 47 HD1 LYS 47 3.452 -2.280 -8.812 316 2HD LYS 47 HD2 LYS 47 5.046 -2.737 -8.211 317 1HE LYS 47 HE2 LYS 47 4.113 -4.351 -6.697 318 2HE LYS 47 HE1 LYS 47 2.470 -3.732 -6.950 319 1HZ LYS 47 HZ1 LYS 47 2.925 -5.703 -8.320 320 2HZ LYS 47 HZ2 LYS 47 4.219 -4.891 -9.062 321 3HZ LYS 47 HZ3 LYS 47 2.630 -4.332 -9.279 322 H GLU 48 HN GLU 48 8.075 -2.174 -6.797 323 HA GLU 48 HA GLU 48 7.166 -4.855 -6.945 324 1HB GLU 48 HB2 GLU 48 9.165 -3.732 -8.041 325 2HB GLU 48 HB1 GLU 48 10.003 -3.868 -6.495 326 1HG GLU 48 HG2 GLU 48 9.516 -6.361 -6.580 327 2HG GLU 48 HG1 GLU 48 8.973 -6.119 -8.241 328 H ASP 49 HN ASP 49 8.239 -3.010 -4.209 329 HA ASP 49 HA ASP 49 8.983 -5.330 -2.570 330 1HB ASP 49 HB2 ASP 49 8.504 -2.381 -2.000 331 2HB ASP 49 HB1 ASP 49 9.199 -3.519 -0.847 332 H TYR 50 HN TYR 50 6.053 -3.675 -3.375 333 HA TYR 50 HA TYR 50 4.680 -4.593 -0.902 334 1HB TYR 50 HB1 TYR 50 4.381 -2.532 -2.997 335 2HB TYR 50 HB2 TYR 50 2.860 -3.271 -2.496 336 HD1 TYR 50 HD1 TYR 50 2.424 -3.467 0.047 337 HD2 TYR 50 HD2 TYR 50 5.370 -0.862 -1.677 338 HE1 TYR 50 HE1 TYR 50 2.444 -2.118 2.128 339 HE2 TYR 50 HE2 TYR 50 5.392 0.490 0.405 340 HH TYR 50 HH TYR 50 3.033 0.334 2.719 341 H VAL 51 HN VAL 51 2.991 -6.074 -0.955 342 HA VAL 51 HA VAL 51 2.139 -7.207 -3.571 343 HB VAL 51 HB VAL 51 2.606 -9.500 -2.667 344 1HG1 VAL 51 HG11 VAL 51 4.930 -9.458 -3.147 345 2HG1 VAL 51 HG12 VAL 51 5.115 -7.824 -2.510 346 3HG1 VAL 51 HG13 VAL 51 4.270 -8.085 -4.036 347 1HG2 VAL 51 HG21 VAL 51 3.867 -7.912 -0.412 348 2HG2 VAL 51 HG22 VAL 51 4.093 -9.643 -0.660 349 3HG2 VAL 51 HG23 VAL 51 2.492 -9.008 -0.286 350 H LEU 52 HN LEU 52 0.189 -8.643 -3.252 351 HA LEU 52 HA LEU 52 -1.735 -7.394 -1.508 352 1HB LEU 52 HB2 LEU 52 -2.170 -8.456 -3.715 353 2HB LEU 52 HB1 LEU 52 -1.815 -10.027 -3.006 354 HG LEU 52 HG LEU 52 -3.799 -10.084 -1.793 355 1HD1 LEU 52 HD11 LEU 52 -5.165 -7.873 -1.465 356 2HD1 LEU 52 HD12 LEU 52 -3.629 -7.072 -1.800 357 3HD1 LEU 52 HD13 LEU 52 -3.771 -8.166 -0.425 358 1HD2 LEU 52 HD21 LEU 52 -5.598 -9.152 -3.260 359 2HD2 LEU 52 HD22 LEU 52 -4.367 -10.047 -4.151 360 3HD2 LEU 52 HD23 LEU 52 -4.351 -8.283 -4.155 361 H TYR 53 HN TYR 53 -2.152 -7.854 0.610 362 HA TYR 53 HA TYR 53 -0.804 -10.142 1.906 363 1HB TYR 53 HB2 TYR 53 -1.060 -7.669 2.704 364 2HB TYR 53 HB1 TYR 53 -2.698 -8.141 3.157 365 HD1 TYR 53 HD1 TYR 53 -2.840 -8.492 5.458 366 HD2 TYR 53 HD2 TYR 53 0.632 -9.873 3.337 367 HE1 TYR 53 HE1 TYR 53 -1.965 -9.504 7.546 368 HE2 TYR 53 HE2 TYR 53 1.507 -10.881 5.425 369 HH TYR 53 HH TYR 53 -0.437 -11.074 8.326 370 H GLU 54 HN GLU 54 -1.901 -11.939 2.724 371 HA GLU 54 HA GLU 54 -4.806 -12.004 2.998 372 1HB GLU 54 HB1 GLU 54 -5.090 -13.685 1.151 373 2HB GLU 54 HB2 GLU 54 -4.570 -12.108 0.559 374 1HG GLU 54 HG1 GLU 54 -2.728 -13.037 -0.340 375 2HG GLU 54 HG2 GLU 54 -2.242 -13.634 1.247 376 H GLU 55 HN GLU 55 -4.107 -12.804 5.108 377 HA GLU 55 HA GLU 55 -2.568 -15.304 5.263 378 1HB GLU 55 HB2 GLU 55 -3.239 -13.093 6.908 379 2HB GLU 55 HB1 GLU 55 -3.949 -14.510 7.683 380 1HG GLU 55 HG1 GLU 55 -1.197 -14.872 6.645 381 2HG GLU 55 HG2 GLU 55 -1.352 -13.764 8.009 382 H LYS 56 HN LYS 56 -3.581 -17.114 6.674 383 HA LYS 56 HA LYS 56 -6.195 -17.824 5.493 384 1HB LYS 56 HB1 LYS 56 -3.905 -19.185 6.029 385 2HB LYS 56 HB2 LYS 56 -4.815 -19.545 7.497 386 1HG LYS 56 HG2 LYS 56 -5.876 -21.149 6.312 387 2HG LYS 56 HG1 LYS 56 -6.679 -19.848 5.433 388 1HD LYS 56 HD1 LYS 56 -5.653 -20.626 3.577 389 2HD LYS 56 HD2 LYS 56 -4.148 -20.011 4.259 390 1HE LYS 56 HE1 LYS 56 -3.441 -22.107 4.926 391 2HE LYS 56 HE2 LYS 56 -5.093 -22.677 5.232 392 1HZ LYS 56 HZ1 LYS 56 -5.424 -22.427 2.747 393 2HZ LYS 56 HZ2 LYS 56 -4.437 -23.718 3.238 394 3HZ LYS 56 HZ3 LYS 56 -3.735 -22.300 2.621 Start of MODEL 12 1 H ALA 1 HT1 ALA 1 -14.443 -3.146 -2.296 2 HA ALA 1 HA ALA 1 -14.125 -3.780 0.593 3 1HB ALA 1 HB1 ALA 1 -13.064 -5.601 -1.469 4 2HB ALA 1 HB2 ALA 1 -14.824 -5.490 -1.472 5 3HB ALA 1 HB3 ALA 1 -13.973 -5.980 -0.006 6 H TYR 2 HN TYR 2 -12.468 -2.309 1.025 7 HA TYR 2 HA TYR 2 -10.439 -1.560 -0.897 8 1HB TYR 2 HB2 TYR 2 -10.824 -1.320 2.098 9 2HB TYR 2 HB1 TYR 2 -9.390 -0.676 1.298 10 HD1 TYR 2 HD1 TYR 2 -10.230 0.474 -1.149 11 HD2 TYR 2 HD2 TYR 2 -12.354 0.368 2.582 12 HE1 TYR 2 HE1 TYR 2 -11.508 2.490 -1.821 13 HE2 TYR 2 HE2 TYR 2 -13.633 2.384 1.911 14 HH TYR 2 HH TYR 2 -14.180 3.399 -0.786 15 H LEU 3 HN LEU 3 -8.459 -2.493 -1.269 16 HA LEU 3 HA LEU 3 -7.898 -5.123 -0.046 17 1HB LEU 3 HB1 LEU 3 -7.177 -3.534 -2.421 18 2HB LEU 3 HB2 LEU 3 -5.830 -4.461 -1.761 19 HG LEU 3 HG LEU 3 -7.202 -6.510 -1.823 20 1HD1 LEU 3 HD21 LEU 3 -9.423 -5.819 -1.525 21 2HD1 LEU 3 HD22 LEU 3 -9.386 -6.228 -3.239 22 3HD1 LEU 3 HD23 LEU 3 -9.289 -4.542 -2.733 23 1HD2 LEU 3 HD11 LEU 3 -6.453 -4.922 -4.161 24 2HD2 LEU 3 HD12 LEU 3 -7.738 -6.075 -4.518 25 3HD2 LEU 3 HD13 LEU 3 -6.207 -6.640 -3.850 26 H LYS 4 HN LYS 4 -5.346 -5.397 0.280 27 HA LYS 4 HA LYS 4 -4.239 -3.064 1.769 28 1HB LYS 4 HB1 LYS 4 -4.532 -5.891 2.848 29 2HB LYS 4 HB2 LYS 4 -3.832 -4.525 3.714 30 1HG LYS 4 HG2 LYS 4 -6.016 -3.332 3.524 31 2HG LYS 4 HG1 LYS 4 -6.701 -4.765 2.757 32 1HD LYS 4 HD1 LYS 4 -6.876 -5.876 4.731 33 2HD LYS 4 HD2 LYS 4 -5.290 -5.332 5.277 34 1HE LYS 4 HE2 LYS 4 -6.348 -3.047 5.701 35 2HE LYS 4 HE1 LYS 4 -7.920 -3.827 5.438 36 1HZ LYS 4 HZ1 LYS 4 -7.303 -5.491 7.109 37 2HZ LYS 4 HZ2 LYS 4 -7.311 -3.930 7.776 38 3HZ LYS 4 HZ3 LYS 4 -5.837 -4.680 7.389 39 H TRP 5 HN TRP 5 -1.945 -3.058 1.808 40 HA TRP 5 HA TRP 5 -0.596 -5.334 0.385 41 1HB TRP 5 HB2 TRP 5 -0.017 -2.361 0.128 42 2HB TRP 5 HB1 TRP 5 0.745 -3.654 -0.792 43 HD1 TRP 5 HD1 TRP 5 -2.860 -2.385 -0.170 44 HE1 TRP 5 HE1 TRP 5 -4.132 -2.489 -2.389 45 HE3 TRP 5 HE3 TRP 5 0.759 -4.414 -3.140 46 HZ2 TRP 5 HZ2 TRP 5 -3.690 -3.350 -5.090 47 HZ3 TRP 5 HZ3 TRP 5 0.305 -4.868 -5.534 48 HH2 TRP 5 HH2 TRP 5 -1.912 -4.342 -6.511 49 H ILE 6 HN ILE 6 0.975 -6.181 1.699 50 HA ILE 6 HA ILE 6 2.070 -4.446 3.861 51 HB ILE 6 HB ILE 6 0.814 -6.604 4.284 52 1HG1 ILE 6 HG11 ILE 6 2.278 -5.556 5.964 53 2HG1 ILE 6 HG12 ILE 6 2.291 -7.312 6.083 54 1HG2 ILE 6 HG21 ILE 6 3.269 -8.169 3.758 55 2HG2 ILE 6 HG22 ILE 6 2.374 -7.657 2.326 56 3HG2 ILE 6 HG23 ILE 6 1.578 -8.629 3.566 57 1HD1 ILE 6 HD11 ILE 6 4.345 -6.953 4.356 58 2HD1 ILE 6 HD12 ILE 6 4.552 -7.011 6.104 59 3HD1 ILE 6 HD13 ILE 6 4.454 -5.455 5.281 60 H CYS 7 HN CYS 7 4.231 -3.935 3.859 61 HA CYS 7 HA CYS 7 5.856 -4.645 1.531 62 1HB CYS 7 HB2 CYS 7 5.689 -2.452 2.982 63 2HB CYS 7 HB1 CYS 7 6.833 -3.283 4.038 64 H ILE 8 HN ILE 8 6.306 -6.900 1.682 65 HA ILE 8 HA ILE 8 7.007 -8.375 3.974 66 HB ILE 8 HB ILE 8 8.049 -9.896 2.326 67 1HG1 ILE 8 HG11 ILE 8 7.670 -7.714 0.271 68 2HG1 ILE 8 HG12 ILE 8 9.203 -7.948 1.109 69 1HG2 ILE 8 HG21 ILE 8 5.421 -8.835 2.213 70 2HG2 ILE 8 HG22 ILE 8 5.966 -10.420 1.663 71 3HG2 ILE 8 HG23 ILE 8 5.953 -9.055 0.546 72 1HD1 ILE 8 HD11 ILE 8 8.786 -9.167 -1.182 73 2HD1 ILE 8 HD12 ILE 8 7.852 -10.294 -0.196 74 3HD1 ILE 8 HD13 ILE 8 9.565 -10.042 0.136 75 H THR 9 HN THR 9 8.857 -5.993 2.229 76 HA THR 9 HA THR 9 11.477 -6.779 3.219 77 HB THR 9 HB THR 9 10.286 -4.251 2.016 78 HG1 THR 9 HG1 THR 9 10.336 -5.803 0.508 79 1HG2 THR 9 HG21 THR 9 12.902 -4.006 1.479 80 2HG2 THR 9 HG22 THR 9 13.030 -4.875 3.008 81 3HG2 THR 9 HG23 THR 9 12.183 -3.329 2.940 82 H CYS 10 HN CYS 10 8.855 -4.732 4.381 83 HA CYS 10 HA CYS 10 10.563 -3.901 6.693 84 1HB CYS 10 HB1 CYS 10 8.339 -2.678 5.127 85 2HB CYS 10 HB2 CYS 10 8.601 -2.145 6.782 86 H GLY 11 HN GLY 11 7.172 -4.718 5.873 87 1HA GLY 11 HA2 GLY 11 6.049 -6.498 7.202 88 2HA GLY 11 HA1 GLY 11 6.925 -5.898 8.609 89 H HIS 12 HN HIS 12 5.724 -3.512 6.413 90 HA HIS 12 HA HIS 12 3.684 -2.715 8.443 91 1HB HIS 12 HB1 HIS 12 5.484 -1.400 6.472 92 2HB HIS 12 HB2 HIS 12 3.899 -0.653 6.664 93 HD1 HIS 12 HD1 HIS 12 6.880 0.277 7.782 94 HD2 HIS 12 HD2 HIS 12 3.628 -1.152 9.964 95 HE1 HIS 12 HE1 HIS 12 7.188 1.106 10.155 96 H ILE 13 HN ILE 13 1.534 -2.882 7.927 97 HA ILE 13 HA ILE 13 0.823 -3.862 5.218 98 HB ILE 13 HB ILE 13 -0.691 -3.567 7.841 99 1HG1 ILE 13 HG12 ILE 13 0.203 -6.113 6.485 100 2HG1 ILE 13 HG11 ILE 13 1.256 -5.249 7.603 101 1HG2 ILE 13 HG21 ILE 13 -1.770 -5.465 5.922 102 2HG2 ILE 13 HG22 ILE 13 -1.734 -3.834 5.251 103 3HG2 ILE 13 HG23 ILE 13 -2.586 -4.147 6.763 104 1HD1 ILE 13 HD11 ILE 13 -0.300 -7.126 8.543 105 2HD1 ILE 13 HD12 ILE 13 -1.572 -5.914 8.393 106 3HD1 ILE 13 HD13 ILE 13 -0.179 -5.605 9.428 107 H TYR 14 HN TYR 14 -0.353 -2.646 3.771 108 HA TYR 14 HA TYR 14 -0.993 0.168 4.522 109 1HB TYR 14 HB1 TYR 14 0.406 -0.132 2.564 110 2HB TYR 14 HB2 TYR 14 -0.685 -1.349 1.904 111 HD1 TYR 14 HD1 TYR 14 -2.402 -0.700 0.412 112 HD2 TYR 14 HD2 TYR 14 -0.584 2.239 2.963 113 HE1 TYR 14 HE1 TYR 14 -3.679 1.081 -0.736 114 HE2 TYR 14 HE2 TYR 14 -1.866 4.026 1.810 115 HH TYR 14 HH TYR 14 -4.491 3.575 0.082 116 H ASP 15 HN ASP 15 -3.102 0.810 4.716 117 HA ASP 15 HA ASP 15 -5.236 -1.146 3.940 118 1HB ASP 15 HB2 ASP 15 -4.951 -0.497 6.353 119 2HB ASP 15 HB1 ASP 15 -5.271 1.178 5.904 120 H GLU 16 HN GLU 16 -6.067 -0.543 1.960 121 HA GLU 16 HA GLU 16 -5.826 1.922 0.659 122 1HB GLU 16 HB2 GLU 16 -7.587 -0.468 0.570 123 2HB GLU 16 HB1 GLU 16 -8.214 0.962 -0.248 124 1HG GLU 16 HG1 GLU 16 -6.955 0.037 -1.962 125 2HG GLU 16 HG2 GLU 16 -5.745 1.079 -1.213 126 H ALA 17 HN ALA 17 -7.981 1.047 3.272 127 HA ALA 17 HA ALA 17 -9.624 3.495 2.903 128 1HB ALA 17 HB1 ALA 17 -11.152 2.122 3.859 129 2HB ALA 17 HB2 ALA 17 -10.164 2.039 5.317 130 3HB ALA 17 HB3 ALA 17 -9.916 0.873 4.017 131 H LEU 18 HN LEU 18 -6.636 3.257 3.861 132 HA LEU 18 HA LEU 18 -6.675 5.486 5.677 133 1HB LEU 18 HB1 LEU 18 -7.534 3.279 6.919 134 2HB LEU 18 HB2 LEU 18 -5.804 2.960 7.047 135 HG LEU 18 HG LEU 18 -6.019 5.642 7.745 136 1HD1 LEU 18 HD11 LEU 18 -8.396 5.628 7.961 137 2HD1 LEU 18 HD12 LEU 18 -7.774 5.483 9.605 138 3HD1 LEU 18 HD13 LEU 18 -8.385 4.058 8.765 139 1HD2 LEU 18 HD21 LEU 18 -5.823 4.590 10.140 140 2HD2 LEU 18 HD22 LEU 18 -4.540 4.301 8.966 141 3HD2 LEU 18 HD23 LEU 18 -5.758 3.060 9.265 142 H GLY 19 HN GLY 19 -5.137 5.598 3.653 143 1HA GLY 19 HA1 GLY 19 -2.645 4.097 3.862 144 2HA GLY 19 HA2 GLY 19 -2.991 5.371 2.697 145 H ASP 20 HN ASP 20 -1.269 6.733 2.959 146 HA ASP 20 HA ASP 20 -0.122 7.337 5.574 147 1HB ASP 20 HB2 ASP 20 1.088 7.187 3.369 148 2HB ASP 20 HB1 ASP 20 0.245 8.648 2.854 149 H GLU 21 HN GLU 21 -0.053 9.528 6.481 150 HA GLU 21 HA GLU 21 -2.574 11.045 5.955 151 1HB GLU 21 HB1 GLU 21 -0.672 10.687 8.275 152 2HB GLU 21 HB2 GLU 21 -1.802 12.040 8.251 153 1HG GLU 21 HG1 GLU 21 -2.713 9.195 7.790 154 2HG GLU 21 HG2 GLU 21 -2.601 9.884 9.410 155 H ALA 22 HN ALA 22 0.947 11.357 6.132 156 HA ALA 22 HA ALA 22 0.932 14.256 5.721 157 1HB ALA 22 HB1 ALA 22 2.804 13.484 6.886 158 2HB ALA 22 HB2 ALA 22 3.458 13.537 5.249 159 3HB ALA 22 HB3 ALA 22 2.910 12.005 5.931 160 H GLU 23 HN GLU 23 1.693 11.386 3.717 161 HA GLU 23 HA GLU 23 2.405 12.745 1.324 162 1HB GLU 23 HB1 GLU 23 2.670 10.308 1.838 163 2HB GLU 23 HB2 GLU 23 0.922 10.114 1.709 164 1HG GLU 23 HG1 GLU 23 1.063 9.960 -0.533 165 2HG GLU 23 HG2 GLU 23 1.922 11.499 -0.618 166 H GLY 24 HN GLY 24 -0.758 11.868 2.658 167 1HA GLY 24 HA2 GLY 24 -2.674 13.347 2.147 168 2HA GLY 24 HA1 GLY 24 -2.014 13.535 0.522 169 H PHE 25 HN PHE 25 -1.867 10.366 1.925 170 HA PHE 25 HA PHE 25 -3.441 9.214 -0.195 171 1HB PHE 25 HB2 PHE 25 -1.871 8.424 2.139 172 2HB PHE 25 HB1 PHE 25 -3.290 7.397 1.937 173 HD1 PHE 25 HD1 PHE 25 -0.926 9.115 -0.417 174 HD2 PHE 25 HD2 PHE 25 -2.798 5.445 0.777 175 HE1 PHE 25 HE1 PHE 25 0.194 7.933 -2.292 176 HE2 PHE 25 HE2 PHE 25 -1.682 4.261 -1.095 177 HZ PHE 25 HZ PHE 25 -0.189 5.502 -2.633 178 H THR 26 HN THR 26 -5.394 10.621 0.115 179 HA THR 26 HA THR 26 -7.067 10.688 2.360 180 HB THR 26 HB THR 26 -7.239 11.946 0.202 181 HG1 THR 26 HG1 THR 26 -9.625 10.530 0.751 182 1HG2 THR 26 HG21 THR 26 -6.924 9.768 -1.142 183 2HG2 THR 26 HG22 THR 26 -8.084 10.943 -1.762 184 3HG2 THR 26 HG23 THR 26 -8.650 9.518 -0.890 185 HA PRO 27 HA PRO 27 -8.583 6.610 2.988 186 1HB PRO 27 HB1 PRO 27 -11.298 7.766 3.339 187 2HB PRO 27 HB2 PRO 27 -10.318 6.838 4.487 188 1HG PRO 27 HG1 PRO 27 -10.726 9.484 4.740 189 2HG PRO 27 HG2 PRO 27 -9.231 8.694 5.259 190 1HD PRO 27 HD1 PRO 27 -9.748 10.386 2.869 191 2HD PRO 27 HD2 PRO 27 -8.271 10.214 3.840 192 H GLY 28 HN GLY 28 -8.844 5.308 1.215 193 1HA GLY 28 HA2 GLY 28 -10.744 4.412 -0.249 194 2HA GLY 28 HA1 GLY 28 -10.919 6.080 -0.796 195 H THR 29 HN THR 29 -7.894 6.374 -0.628 196 HA THR 29 HA THR 29 -7.219 5.989 -3.332 197 HB THR 29 HB THR 29 -5.307 5.756 -0.990 198 HG1 THR 29 HG1 THR 29 -5.623 7.818 -0.557 199 1HG2 THR 29 HG21 THR 29 -4.971 7.365 -3.516 200 2HG2 THR 29 HG22 THR 29 -4.613 5.639 -3.497 201 3HG2 THR 29 HG23 THR 29 -3.727 6.735 -2.437 202 H ARG 30 HN ARG 30 -6.652 4.201 -4.510 203 HA ARG 30 HA ARG 30 -6.189 1.642 -3.015 204 1HB ARG 30 HB2 ARG 30 -7.702 2.460 -5.454 205 2HB ARG 30 HB1 ARG 30 -6.936 0.872 -5.495 206 1HG ARG 30 HG1 ARG 30 -8.235 0.053 -3.748 207 2HG ARG 30 HG2 ARG 30 -8.511 1.656 -3.067 208 1HD ARG 30 HD2 ARG 30 -10.600 1.089 -4.055 209 2HD ARG 30 HD1 ARG 30 -9.828 2.111 -5.282 210 HE ARG 30 HE ARG 30 -8.912 -0.455 -5.846 211 1HH1 ARG 30 HH22 ARG 30 -12.032 1.048 -5.496 212 2HH1 ARG 30 HH21 ARG 30 -12.799 -0.030 -6.608 213 1HH2 ARG 30 HH12 ARG 30 -9.932 -1.843 -7.288 214 2HH2 ARG 30 HH11 ARG 30 -11.622 -1.656 -7.616 215 H PHE 31 HN PHE 31 -4.426 0.336 -3.686 216 HA PHE 31 HA PHE 31 -2.066 1.509 -4.655 217 1HB PHE 31 HB1 PHE 31 -3.094 -1.054 -3.950 218 2HB PHE 31 HB2 PHE 31 -2.297 -1.242 -5.512 219 HD1 PHE 31 HD1 PHE 31 -1.624 0.829 -2.445 220 HD2 PHE 31 HD2 PHE 31 -0.120 -2.020 -5.286 221 HE1 PHE 31 HE1 PHE 31 0.587 0.875 -1.322 222 HE2 PHE 31 HE2 PHE 31 2.089 -1.973 -4.163 223 HZ PHE 31 HZ PHE 31 2.443 -0.528 -2.182 224 H GLU 32 HN GLU 32 -4.753 0.083 -6.484 225 HA GLU 32 HA GLU 32 -3.609 -0.170 -9.043 226 1HB GLU 32 HB1 GLU 32 -5.866 -0.880 -8.389 227 2HB GLU 32 HB2 GLU 32 -6.358 0.800 -8.188 228 1HG GLU 32 HG1 GLU 32 -7.129 0.358 -10.345 229 2HG GLU 32 HG2 GLU 32 -5.532 1.023 -10.685 230 H ASP 33 HN ASP 33 -5.236 2.700 -7.647 231 HA ASP 33 HA ASP 33 -4.595 4.436 -9.868 232 1HB ASP 33 HB1 ASP 33 -6.358 4.512 -7.881 233 2HB ASP 33 HB2 ASP 33 -5.069 5.390 -7.056 234 H ILE 34 HN ILE 34 -2.643 3.121 -7.405 235 HA ILE 34 HA ILE 34 -0.776 5.447 -7.408 236 HB ILE 34 HB ILE 34 -1.064 2.919 -5.743 237 1HG1 ILE 34 HG12 ILE 34 -1.237 5.725 -4.701 238 2HG1 ILE 34 HG11 ILE 34 -2.618 5.058 -5.573 239 1HG2 ILE 34 HG21 ILE 34 1.132 4.900 -5.969 240 2HG2 ILE 34 HG22 ILE 34 1.179 3.225 -5.420 241 3HG2 ILE 34 HG23 ILE 34 0.632 4.495 -4.327 242 1HD1 ILE 34 HD11 ILE 34 -2.695 4.688 -3.076 243 2HD1 ILE 34 HD12 ILE 34 -1.270 3.662 -3.245 244 3HD1 ILE 34 HD13 ILE 34 -2.783 3.206 -4.029 245 HA PRO 35 HA PRO 35 1.179 2.662 -10.470 246 1HB PRO 35 HB2 PRO 35 2.651 4.680 -11.665 247 2HB PRO 35 HB1 PRO 35 0.996 4.248 -12.134 248 1HG PRO 35 HG2 PRO 35 1.962 6.476 -10.410 249 2HG PRO 35 HG1 PRO 35 0.646 6.453 -11.592 250 1HD PRO 35 HD1 PRO 35 0.238 6.321 -8.909 251 2HD PRO 35 HD2 PRO 35 -0.852 5.573 -10.094 252 H ASP 36 HN ASP 36 3.540 5.261 -10.046 253 HA ASP 36 HA ASP 36 5.136 3.441 -8.275 254 1HB ASP 36 HB2 ASP 36 5.524 4.084 -10.986 255 2HB ASP 36 HB1 ASP 36 6.716 5.049 -10.116 256 H ASP 37 HN ASP 37 4.109 6.702 -8.975 257 HA ASP 37 HA ASP 37 6.072 8.325 -7.851 258 1HB ASP 37 HB2 ASP 37 3.446 8.528 -8.692 259 2HB ASP 37 HB1 ASP 37 3.315 8.917 -6.977 260 H TRP 38 HN TRP 38 3.355 6.846 -6.023 261 HA TRP 38 HA TRP 38 4.399 7.611 -3.440 262 1HB TRP 38 HB1 TRP 38 2.043 7.197 -3.795 263 2HB TRP 38 HB2 TRP 38 2.368 5.592 -4.444 264 HD1 TRP 38 HD1 TRP 38 2.058 7.505 -1.186 265 HE1 TRP 38 HE1 TRP 38 2.065 5.835 0.777 266 HE3 TRP 38 HE3 TRP 38 3.267 3.221 -3.681 267 HZ2 TRP 38 HZ2 TRP 38 2.526 3.046 1.229 268 HZ3 TRP 38 HZ3 TRP 38 3.485 1.076 -2.465 269 HH2 TRP 38 HH2 TRP 38 3.116 0.981 -0.015 270 H CYS 39 HN CYS 39 5.221 6.077 -1.803 271 HA CYS 39 HA CYS 39 6.193 3.444 -2.669 272 1HB CYS 39 HB2 CYS 39 7.791 5.923 -2.725 273 2HB CYS 39 HB1 CYS 39 8.560 4.612 -1.839 274 HG CYS 39 HG CYS 39 7.662 4.359 -4.827 275 H CYS 40 HN CYS 40 7.703 2.582 -0.806 276 HA CYS 40 HA CYS 40 6.328 2.449 1.644 277 1HB CYS 40 HB1 CYS 40 8.663 1.469 0.448 278 2HB CYS 40 HB2 CYS 40 9.248 2.323 1.873 279 HA PRO 41 HA PRO 41 7.055 6.350 3.569 280 1HB PRO 41 HB2 PRO 41 7.279 5.504 6.220 281 2HB PRO 41 HB1 PRO 41 5.748 5.806 5.380 282 1HG PRO 41 HG2 PRO 41 7.133 3.242 5.943 283 2HG PRO 41 HG1 PRO 41 5.403 3.602 5.885 284 1HD PRO 41 HD1 PRO 41 6.716 2.298 3.902 285 2HD PRO 41 HD2 PRO 41 5.291 3.315 3.611 286 H ASP 42 HN ASP 42 9.202 3.634 4.225 287 HA ASP 42 HA ASP 42 11.506 5.502 4.284 288 1HB ASP 42 HB1 ASP 42 10.284 4.676 6.618 289 2HB ASP 42 HB2 ASP 42 11.549 3.463 6.423 290 H CYS 43 HN CYS 43 11.105 3.898 2.175 291 HA CYS 43 HA CYS 43 13.220 1.832 2.448 292 1HB CYS 43 HB1 CYS 43 10.542 1.239 2.769 293 2HB CYS 43 HB2 CYS 43 10.779 0.925 1.051 294 H GLY 44 HN GLY 44 10.771 3.302 0.297 295 1HA GLY 44 HA1 GLY 44 10.964 4.099 -1.902 296 2HA GLY 44 HA2 GLY 44 12.707 4.149 -1.642 297 H ALA 45 HN ALA 45 10.524 1.332 -1.508 298 HA ALA 45 HA ALA 45 12.182 0.116 -3.685 299 1HB ALA 45 HB1 ALA 45 12.163 -1.824 -2.432 300 2HB ALA 45 HB2 ALA 45 10.521 -1.537 -1.856 301 3HB ALA 45 HB3 ALA 45 11.877 -0.688 -1.112 302 H THR 46 HN THR 46 9.819 1.752 -4.046 303 HA THR 46 HA THR 46 7.710 1.727 -5.156 304 HB THR 46 HB THR 46 7.885 0.434 -7.211 305 HG1 THR 46 HG1 THR 46 10.139 -0.899 -6.193 306 1HG2 THR 46 HG21 THR 46 10.750 0.842 -7.010 307 2HG2 THR 46 HG22 THR 46 9.870 2.180 -6.272 308 3HG2 THR 46 HG23 THR 46 9.561 1.741 -7.952 309 H LYS 47 HN LYS 47 6.480 -0.580 -6.357 310 HA LYS 47 HA LYS 47 5.085 -1.668 -4.020 311 1HB LYS 47 HB2 LYS 47 3.878 -1.020 -6.039 312 2HB LYS 47 HB1 LYS 47 4.892 -2.068 -7.030 313 1HG LYS 47 HG2 LYS 47 3.603 -3.473 -4.795 314 2HG LYS 47 HG1 LYS 47 2.455 -2.780 -5.941 315 1HD LYS 47 HD2 LYS 47 4.386 -3.865 -7.598 316 2HD LYS 47 HD1 LYS 47 4.304 -5.036 -6.282 317 1HE LYS 47 HE2 LYS 47 2.259 -5.772 -6.955 318 2HE LYS 47 HE1 LYS 47 1.650 -4.117 -7.142 319 1HZ LYS 47 HZ1 LYS 47 2.966 -3.939 -9.191 320 2HZ LYS 47 HZ2 LYS 47 1.816 -5.185 -9.299 321 3HZ LYS 47 HZ3 LYS 47 3.451 -5.558 -9.025 322 H GLU 48 HN GLU 48 7.813 -2.602 -5.910 323 HA GLU 48 HA GLU 48 7.698 -5.380 -6.105 324 1HB GLU 48 HB2 GLU 48 9.582 -3.340 -6.302 325 2HB GLU 48 HB1 GLU 48 10.237 -4.371 -5.030 326 1HG GLU 48 HG1 GLU 48 9.182 -5.950 -7.235 327 2HG GLU 48 HG2 GLU 48 10.418 -4.819 -7.788 328 H ASP 49 HN ASP 49 8.762 -3.516 -3.232 329 HA ASP 49 HA ASP 49 9.051 -5.909 -1.590 330 1HB ASP 49 HB2 ASP 49 9.007 -2.914 -1.097 331 2HB ASP 49 HB1 ASP 49 9.294 -4.083 0.193 332 H TYR 50 HN TYR 50 6.397 -3.873 -2.484 333 HA TYR 50 HA TYR 50 4.794 -4.602 -0.099 334 1HB TYR 50 HB1 TYR 50 4.784 -2.638 -2.305 335 2HB TYR 50 HB2 TYR 50 3.183 -3.237 -1.873 336 HD1 TYR 50 HD1 TYR 50 2.642 -3.335 0.681 337 HD2 TYR 50 HD2 TYR 50 5.738 -0.915 -1.044 338 HE1 TYR 50 HE1 TYR 50 2.628 -1.890 2.696 339 HE2 TYR 50 HE2 TYR 50 5.729 0.536 0.969 340 HH TYR 50 HH TYR 50 3.960 1.118 2.807 341 H VAL 51 HN VAL 51 3.232 -6.188 -0.142 342 HA VAL 51 HA VAL 51 2.512 -7.360 -2.805 343 HB VAL 51 HB VAL 51 3.278 -8.721 -0.193 344 1HG1 VAL 51 HG21 VAL 51 2.352 -10.005 -2.782 345 2HG1 VAL 51 HG22 VAL 51 1.350 -9.845 -1.340 346 3HG1 VAL 51 HG23 VAL 51 2.805 -10.841 -1.296 347 1HG2 VAL 51 HG11 VAL 51 5.183 -7.993 -1.525 348 2HG2 VAL 51 HG12 VAL 51 4.483 -8.712 -2.975 349 3HG2 VAL 51 HG13 VAL 51 5.030 -9.745 -1.655 350 H LEU 52 HN LEU 52 0.362 -8.181 -2.921 351 HA LEU 52 HA LEU 52 -1.621 -6.810 -1.388 352 1HB LEU 52 HB2 LEU 52 -1.588 -8.001 -3.738 353 2HB LEU 52 HB1 LEU 52 -2.076 -9.422 -2.822 354 HG LEU 52 HG LEU 52 -4.045 -8.201 -3.670 355 1HD1 LEU 52 HD11 LEU 52 -5.263 -8.203 -1.637 356 2HD1 LEU 52 HD12 LEU 52 -3.855 -7.706 -0.701 357 3HD1 LEU 52 HD13 LEU 52 -3.943 -9.338 -1.360 358 1HD2 LEU 52 HD21 LEU 52 -4.163 -5.948 -3.626 359 2HD2 LEU 52 HD22 LEU 52 -2.499 -5.943 -3.041 360 3HD2 LEU 52 HD23 LEU 52 -3.839 -5.910 -1.894 361 H TYR 53 HN TYR 53 -2.341 -7.268 0.646 362 HA TYR 53 HA TYR 53 -1.430 -9.588 2.124 363 1HB TYR 53 HB2 TYR 53 -2.116 -7.171 2.854 364 2HB TYR 53 HB1 TYR 53 -3.761 -7.807 2.846 365 HD1 TYR 53 HD1 TYR 53 -4.518 -9.346 4.531 366 HD2 TYR 53 HD2 TYR 53 -0.391 -8.173 4.351 367 HE1 TYR 53 HE1 TYR 53 -4.128 -10.376 6.754 368 HE2 TYR 53 HE2 TYR 53 0.000 -9.200 6.573 369 HH TYR 53 HH TYR 53 -1.270 -9.827 8.554 370 H GLU 54 HN GLU 54 -2.214 -11.531 1.237 371 HA GLU 54 HA GLU 54 -5.160 -11.941 1.462 372 1HB GLU 54 HB1 GLU 54 -3.948 -11.412 -0.923 373 2HB GLU 54 HB2 GLU 54 -3.783 -13.167 -0.872 374 1HG GLU 54 HG2 GLU 54 -6.348 -12.980 -0.103 375 2HG GLU 54 HG1 GLU 54 -6.247 -11.494 -1.048 376 H GLU 55 HN GLU 55 -5.044 -13.440 3.137 377 HA GLU 55 HA GLU 55 -2.987 -15.525 3.209 378 1HB GLU 55 HB1 GLU 55 -4.242 -16.165 5.258 379 2HB GLU 55 HB2 GLU 55 -3.938 -14.428 5.222 380 1HG GLU 55 HG1 GLU 55 -6.146 -13.959 5.159 381 2HG GLU 55 HG2 GLU 55 -6.420 -15.116 3.856 382 H LYS 56 HN LYS 56 -4.184 -17.825 3.868 383 HA LYS 56 HA LYS 56 -6.510 -18.522 2.286 384 1HB LYS 56 HB2 LYS 56 -4.628 -18.044 0.610 385 2HB LYS 56 HB1 LYS 56 -3.822 -19.475 1.252 386 1HG LYS 56 HG1 LYS 56 -5.950 -20.765 0.752 387 2HG LYS 56 HG2 LYS 56 -6.523 -19.338 -0.113 388 1HD LYS 56 HD1 LYS 56 -4.007 -19.647 -1.166 389 2HD LYS 56 HD2 LYS 56 -4.485 -21.323 -0.897 390 1HE LYS 56 HE2 LYS 56 -6.784 -20.290 -1.981 391 2HE LYS 56 HE1 LYS 56 -5.540 -19.363 -2.841 392 1HZ LYS 56 HZ1 LYS 56 -6.071 -21.596 -3.830 393 2HZ LYS 56 HZ2 LYS 56 -5.403 -22.304 -2.439 394 3HZ LYS 56 HZ3 LYS 56 -4.432 -21.354 -3.456 Start of MODEL 13 1 H ALA 1 HT1 ALA 1 -16.006 -4.220 0.160 2 HA ALA 1 HA ALA 1 -14.351 -3.514 1.833 3 1HB ALA 1 HB1 ALA 1 -13.847 -5.752 2.140 4 2HB ALA 1 HB2 ALA 1 -13.284 -5.955 0.480 5 3HB ALA 1 HB3 ALA 1 -15.013 -5.936 0.830 6 H TYR 2 HN TYR 2 -12.491 -2.336 2.014 7 HA TYR 2 HA TYR 2 -10.762 -1.865 -0.292 8 1HB TYR 2 HB2 TYR 2 -10.742 -1.096 2.644 9 2HB TYR 2 HB1 TYR 2 -9.516 -0.534 1.507 10 HD1 TYR 2 HD1 TYR 2 -10.543 0.409 -0.792 11 HD2 TYR 2 HD2 TYR 2 -12.594 0.270 2.979 12 HE1 TYR 2 HE1 TYR 2 -12.075 2.204 -1.559 13 HE2 TYR 2 HE2 TYR 2 -14.126 2.063 2.213 14 HH TYR 2 HH TYR 2 -14.371 3.716 0.625 15 H LEU 3 HN LEU 3 -8.749 -2.752 -0.671 16 HA LEU 3 HA LEU 3 -7.994 -5.126 0.928 17 1HB LEU 3 HB1 LEU 3 -7.339 -3.890 -1.729 18 2HB LEU 3 HB2 LEU 3 -6.176 -5.017 -1.030 19 HG LEU 3 HG LEU 3 -8.109 -6.636 -0.709 20 1HD1 LEU 3 HD21 LEU 3 -9.456 -4.407 -2.201 21 2HD1 LEU 3 HD22 LEU 3 -10.070 -5.388 -0.869 22 3HD1 LEU 3 HD23 LEU 3 -9.970 -6.069 -2.493 23 1HD2 LEU 3 HD11 LEU 3 -7.939 -6.065 -3.628 24 2HD2 LEU 3 HD12 LEU 3 -7.668 -7.577 -2.760 25 3HD2 LEU 3 HD13 LEU 3 -6.416 -6.333 -2.778 26 H LYS 4 HN LYS 4 -5.545 -5.366 1.333 27 HA LYS 4 HA LYS 4 -4.277 -2.751 2.033 28 1HB LYS 4 HB1 LYS 4 -4.462 -5.221 3.792 29 2HB LYS 4 HB2 LYS 4 -3.706 -3.692 4.234 30 1HG LYS 4 HG2 LYS 4 -5.869 -2.543 4.028 31 2HG LYS 4 HG1 LYS 4 -6.637 -4.052 3.534 32 1HD LYS 4 HD2 LYS 4 -6.295 -5.044 5.674 33 2HD LYS 4 HD1 LYS 4 -5.160 -3.783 6.159 34 1HE LYS 4 HE2 LYS 4 -6.951 -2.769 7.140 35 2HE LYS 4 HE1 LYS 4 -7.487 -2.375 5.496 36 1HZ LYS 4 HZ1 LYS 4 -9.219 -3.625 6.524 37 2HZ LYS 4 HZ2 LYS 4 -8.134 -4.807 7.080 38 3HZ LYS 4 HZ3 LYS 4 -8.457 -4.663 5.418 39 H TRP 5 HN TRP 5 -1.911 -2.937 2.243 40 HA TRP 5 HA TRP 5 -0.809 -5.375 0.863 41 1HB TRP 5 HB2 TRP 5 -0.049 -2.445 0.544 42 2HB TRP 5 HB1 TRP 5 0.694 -3.791 -0.319 43 HD1 TRP 5 HD1 TRP 5 -2.894 -2.424 0.213 44 HE1 TRP 5 HE1 TRP 5 -4.163 -2.621 -2.008 45 HE3 TRP 5 HE3 TRP 5 0.710 -4.629 -2.648 46 HZ2 TRP 5 HZ2 TRP 5 -3.715 -3.602 -4.666 47 HZ3 TRP 5 HZ3 TRP 5 0.262 -5.187 -5.021 48 HH2 TRP 5 HH2 TRP 5 -1.943 -4.678 -6.032 49 H ILE 6 HN ILE 6 1.014 -6.248 1.838 50 HA ILE 6 HA ILE 6 2.078 -4.782 4.214 51 HB ILE 6 HB ILE 6 1.130 -6.968 4.685 52 1HG1 ILE 6 HG12 ILE 6 3.042 -8.111 5.660 53 2HG1 ILE 6 HG11 ILE 6 4.144 -7.251 4.590 54 1HG2 ILE 6 HG21 ILE 6 2.877 -7.843 2.382 55 2HG2 ILE 6 HG22 ILE 6 1.134 -8.042 2.561 56 3HG2 ILE 6 HG23 ILE 6 2.237 -8.993 3.553 57 1HD1 ILE 6 HD11 ILE 6 2.478 -5.363 5.995 58 2HD1 ILE 6 HD12 ILE 6 4.234 -5.505 6.003 59 3HD1 ILE 6 HD13 ILE 6 3.266 -6.437 7.147 60 H CYS 7 HN CYS 7 4.221 -4.226 4.307 61 HA CYS 7 HA CYS 7 5.810 -4.408 1.841 62 1HB CYS 7 HB2 CYS 7 5.543 -2.457 3.542 63 2HB CYS 7 HB1 CYS 7 6.665 -3.369 4.553 64 H ILE 8 HN ILE 8 6.432 -6.628 1.636 65 HA ILE 8 HA ILE 8 7.361 -8.321 3.693 66 HB ILE 8 HB ILE 8 6.792 -9.007 1.401 67 1HG1 ILE 8 HG12 ILE 8 9.636 -9.745 1.481 68 2HG1 ILE 8 HG11 ILE 8 8.744 -10.069 2.964 69 1HG2 ILE 8 HG21 ILE 8 9.259 -8.377 0.111 70 2HG2 ILE 8 HG22 ILE 8 8.573 -6.897 0.777 71 3HG2 ILE 8 HG23 ILE 8 7.629 -7.880 -0.339 72 1HD1 ILE 8 HD11 ILE 8 7.019 -11.263 1.616 73 2HD1 ILE 8 HD12 ILE 8 8.609 -12.014 1.480 74 3HD1 ILE 8 HD13 ILE 8 7.997 -10.998 0.174 75 H THR 9 HN THR 9 8.882 -5.580 2.225 76 HA THR 9 HA THR 9 11.626 -6.286 2.911 77 HB THR 9 HB THR 9 10.167 -3.734 2.132 78 HG1 THR 9 HG1 THR 9 11.793 -5.588 0.736 79 1HG2 THR 9 HG21 THR 9 12.846 -4.109 3.152 80 2HG2 THR 9 HG22 THR 9 12.033 -2.611 2.695 81 3HG2 THR 9 HG23 THR 9 12.906 -3.548 1.481 82 H CYS 10 HN CYS 10 8.938 -4.659 4.489 83 HA CYS 10 HA CYS 10 10.708 -4.106 6.843 84 1HB CYS 10 HB2 CYS 10 8.284 -2.621 5.848 85 2HB CYS 10 HB1 CYS 10 9.262 -2.156 7.233 86 H GLY 11 HN GLY 11 7.252 -4.559 5.990 87 1HA GLY 11 HA2 GLY 11 6.121 -6.544 7.036 88 2HA GLY 11 HA1 GLY 11 6.980 -6.136 8.520 89 H HIS 12 HN HIS 12 5.632 -3.622 6.484 90 HA HIS 12 HA HIS 12 3.629 -3.053 8.639 91 1HB HIS 12 HB1 HIS 12 5.649 -1.520 7.603 92 2HB HIS 12 HB2 HIS 12 4.299 -1.019 6.585 93 HD1 HIS 12 HD1 HIS 12 5.785 -0.425 9.844 94 HD2 HIS 12 HD2 HIS 12 1.937 -0.205 8.256 95 HE1 HIS 12 HE1 HIS 12 4.424 0.977 11.456 96 H ILE 13 HN ILE 13 1.471 -2.744 8.060 97 HA ILE 13 HA ILE 13 0.727 -3.688 5.337 98 HB ILE 13 HB ILE 13 -0.754 -3.321 7.966 99 1HG1 ILE 13 HG11 ILE 13 -0.577 -5.950 6.637 100 2HG1 ILE 13 HG12 ILE 13 0.969 -5.299 7.174 101 1HG2 ILE 13 HG21 ILE 13 -2.284 -4.940 6.277 102 2HG2 ILE 13 HG22 ILE 13 -1.771 -3.604 5.246 103 3HG2 ILE 13 HG23 ILE 13 -2.653 -3.279 6.739 104 1HD1 ILE 13 HD11 ILE 13 -0.201 -6.684 8.917 105 2HD1 ILE 13 HD12 ILE 13 -1.495 -5.486 8.929 106 3HD1 ILE 13 HD13 ILE 13 0.132 -5.032 9.437 107 H TYR 14 HN TYR 14 -0.561 -2.491 3.966 108 HA TYR 14 HA TYR 14 -0.849 0.421 4.583 109 1HB TYR 14 HB1 TYR 14 0.486 -0.057 2.628 110 2HB TYR 14 HB2 TYR 14 -0.671 -1.255 2.053 111 HD1 TYR 14 HD1 TYR 14 -0.276 2.389 2.773 112 HD2 TYR 14 HD2 TYR 14 -2.452 -0.626 0.614 113 HE1 TYR 14 HE1 TYR 14 -1.459 4.156 1.493 114 HE2 TYR 14 HE2 TYR 14 -3.629 1.140 -0.663 115 HH TYR 14 HH TYR 14 -4.188 3.461 -0.499 116 H ASP 15 HN ASP 15 -2.901 1.255 4.744 117 HA ASP 15 HA ASP 15 -5.191 -0.601 4.293 118 1HB ASP 15 HB2 ASP 15 -4.523 0.839 6.448 119 2HB ASP 15 HB1 ASP 15 -5.404 2.099 5.586 120 H GLU 16 HN GLU 16 -5.882 -0.373 2.177 121 HA GLU 16 HA GLU 16 -5.598 1.792 0.439 122 1HB GLU 16 HB2 GLU 16 -7.540 -0.462 0.827 123 2HB GLU 16 HB1 GLU 16 -7.905 0.744 -0.402 124 1HG GLU 16 HG1 GLU 16 -5.479 0.379 -1.211 125 2HG GLU 16 HG2 GLU 16 -5.510 -1.081 -0.225 126 H ALA 17 HN ALA 17 -7.846 1.429 3.110 127 HA ALA 17 HA ALA 17 -9.353 3.856 2.258 128 1HB ALA 17 HB1 ALA 17 -10.994 2.480 3.032 129 2HB ALA 17 HB2 ALA 17 -10.397 2.850 4.650 130 3HB ALA 17 HB3 ALA 17 -9.823 1.412 3.804 131 H LEU 18 HN LEU 18 -6.509 3.669 3.530 132 HA LEU 18 HA LEU 18 -6.686 6.041 5.141 133 1HB LEU 18 HB1 LEU 18 -7.694 3.929 6.467 134 2HB LEU 18 HB2 LEU 18 -5.988 3.667 6.831 135 HG LEU 18 HG LEU 18 -7.052 5.061 8.567 136 1HD1 LEU 18 HD21 LEU 18 -4.655 5.414 7.874 137 2HD1 LEU 18 HD22 LEU 18 -5.413 6.841 8.580 138 3HD1 LEU 18 HD23 LEU 18 -5.207 6.726 6.833 139 1HD2 LEU 18 HD11 LEU 18 -8.610 6.071 6.642 140 2HD2 LEU 18 HD12 LEU 18 -7.363 7.319 6.636 141 3HD2 LEU 18 HD13 LEU 18 -8.261 6.976 8.115 142 H GLY 19 HN GLY 19 -4.920 6.007 3.325 143 1HA GLY 19 HA1 GLY 19 -2.515 4.491 3.693 144 2HA GLY 19 HA2 GLY 19 -2.632 5.986 2.768 145 H ASP 20 HN ASP 20 -0.946 7.195 3.557 146 HA ASP 20 HA ASP 20 -0.489 7.317 6.492 147 1HB ASP 20 HB1 ASP 20 1.019 8.121 3.990 148 2HB ASP 20 HB2 ASP 20 1.580 8.579 5.598 149 H GLU 21 HN GLU 21 0.153 9.601 7.283 150 HA GLU 21 HA GLU 21 -1.987 11.491 6.496 151 1HB GLU 21 HB1 GLU 21 -0.003 11.154 8.739 152 2HB GLU 21 HB2 GLU 21 -0.797 12.713 8.515 153 1HG GLU 21 HG2 GLU 21 -2.794 10.687 8.292 154 2HG GLU 21 HG1 GLU 21 -1.848 10.347 9.741 155 H ALA 22 HN ALA 22 1.461 11.047 6.144 156 HA ALA 22 HA ALA 22 1.943 13.840 5.323 157 1HB ALA 22 HB1 ALA 22 3.586 11.292 5.498 158 2HB ALA 22 HB2 ALA 22 3.661 12.691 6.569 159 3HB ALA 22 HB3 ALA 22 4.257 12.815 4.914 160 H GLU 23 HN GLU 23 1.647 10.625 3.832 161 HA GLU 23 HA GLU 23 2.415 11.411 1.169 162 1HB GLU 23 HB1 GLU 23 2.346 9.083 2.014 163 2HB GLU 23 HB2 GLU 23 0.597 9.204 2.216 164 1HG GLU 23 HG1 GLU 23 0.759 8.169 0.127 165 2HG GLU 23 HG2 GLU 23 0.638 9.868 -0.331 166 H GLY 24 HN GLY 24 -0.503 11.814 3.031 167 1HA GLY 24 HA2 GLY 24 -2.415 13.095 2.489 168 2HA GLY 24 HA1 GLY 24 -1.697 13.423 0.910 169 H PHE 25 HN PHE 25 -2.094 10.164 2.190 170 HA PHE 25 HA PHE 25 -3.501 9.304 -0.183 171 1HB PHE 25 HB1 PHE 25 -2.288 8.250 2.246 172 2HB PHE 25 HB2 PHE 25 -3.813 7.446 1.925 173 HD1 PHE 25 HD1 PHE 25 -3.772 7.646 -1.131 174 HD2 PHE 25 HD2 PHE 25 -0.773 6.505 1.725 175 HE1 PHE 25 HE1 PHE 25 -2.652 6.259 -2.857 176 HE2 PHE 25 HE2 PHE 25 0.336 5.119 0.007 177 HZ PHE 25 HZ PHE 25 -0.593 4.997 -2.288 178 H THR 26 HN THR 26 -5.363 10.835 -0.093 179 HA THR 26 HA THR 26 -7.218 11.160 1.952 180 HB THR 26 HB THR 26 -7.115 12.257 -0.290 181 HG1 THR 26 HG1 THR 26 -9.161 12.719 -0.108 182 1HG2 THR 26 HG21 THR 26 -6.797 10.066 -1.515 183 2HG2 THR 26 HG22 THR 26 -7.985 11.149 -2.239 184 3HG2 THR 26 HG23 THR 26 -8.518 9.766 -1.282 185 HA PRO 27 HA PRO 27 -8.917 7.193 2.848 186 1HB PRO 27 HB2 PRO 27 -11.536 8.618 3.025 187 2HB PRO 27 HB1 PRO 27 -10.729 7.599 4.230 188 1HG PRO 27 HG1 PRO 27 -10.821 10.270 4.446 189 2HG PRO 27 HG2 PRO 27 -9.441 9.322 5.015 190 1HD PRO 27 HD1 PRO 27 -9.683 11.064 2.627 191 2HD PRO 27 HD2 PRO 27 -8.255 10.673 3.607 192 H GLY 28 HN GLY 28 -9.015 5.939 0.999 193 1HA GLY 28 HA2 GLY 28 -10.873 4.918 -0.426 194 2HA GLY 28 HA1 GLY 28 -11.184 6.568 -0.964 195 H THR 29 HN THR 29 -8.069 4.903 -0.460 196 HA THR 29 HA THR 29 -7.489 5.360 -3.372 197 HB THR 29 HB THR 29 -5.402 5.272 -1.199 198 HG1 THR 29 HG1 THR 29 -6.654 6.800 -0.350 199 1HG2 THR 29 HG21 THR 29 -4.568 7.158 -2.847 200 2HG2 THR 29 HG22 THR 29 -5.713 6.410 -3.960 201 3HG2 THR 29 HG23 THR 29 -4.388 5.460 -3.289 202 H ARG 30 HN ARG 30 -6.729 3.594 -4.487 203 HA ARG 30 HA ARG 30 -6.056 1.134 -2.902 204 1HB ARG 30 HB2 ARG 30 -7.503 1.488 -5.554 205 2HB ARG 30 HB1 ARG 30 -7.096 -0.074 -4.844 206 1HG ARG 30 HG2 ARG 30 -8.515 0.338 -2.942 207 2HG ARG 30 HG1 ARG 30 -8.756 2.019 -3.415 208 1HD ARG 30 HD1 ARG 30 -10.630 1.290 -4.488 209 2HD ARG 30 HD2 ARG 30 -9.535 0.556 -5.675 210 HE ARG 30 HE ARG 30 -9.543 -1.273 -3.605 211 1HH1 ARG 30 HH22 ARG 30 -12.033 0.301 -5.460 212 2HH1 ARG 30 HH21 ARG 30 -13.138 -1.021 -5.302 213 1HH2 ARG 30 HH11 ARG 30 -10.995 -2.975 -3.414 214 2HH2 ARG 30 HH12 ARG 30 -12.557 -2.862 -4.154 215 H PHE 31 HN PHE 31 -4.233 -0.036 -3.620 216 HA PHE 31 HA PHE 31 -2.068 1.214 -4.863 217 1HB PHE 31 HB1 PHE 31 -2.758 -1.298 -3.854 218 2HB PHE 31 HB2 PHE 31 -2.313 -1.632 -5.527 219 HD1 PHE 31 HD1 PHE 31 -0.090 -2.260 -5.792 220 HD2 PHE 31 HD2 PHE 31 -1.090 0.672 -2.817 221 HE1 PHE 31 HE1 PHE 31 2.308 -2.051 -5.191 222 HE2 PHE 31 HE2 PHE 31 1.301 0.880 -2.218 223 HZ PHE 31 HZ PHE 31 3.004 -0.481 -3.403 224 H GLU 32 HN GLU 32 -4.481 -0.907 -6.467 225 HA GLU 32 HA GLU 32 -3.502 -0.769 -9.111 226 1HB GLU 32 HB1 GLU 32 -5.328 -2.215 -8.375 227 2HB GLU 32 HB2 GLU 32 -6.332 -0.814 -8.003 228 1HG GLU 32 HG2 GLU 32 -5.510 -0.445 -10.667 229 2HG GLU 32 HG1 GLU 32 -5.929 -2.154 -10.546 230 H ASP 33 HN ASP 33 -5.163 1.628 -7.179 231 HA ASP 33 HA ASP 33 -5.497 3.430 -9.526 232 1HB ASP 33 HB2 ASP 33 -6.909 2.863 -7.124 233 2HB ASP 33 HB1 ASP 33 -6.301 4.512 -6.966 234 H ILE 34 HN ILE 34 -2.914 2.652 -7.855 235 HA ILE 34 HA ILE 34 -2.031 5.488 -7.414 236 HB ILE 34 HB ILE 34 -1.367 2.888 -5.984 237 1HG1 ILE 34 HG12 ILE 34 -2.535 5.437 -4.862 238 2HG1 ILE 34 HG11 ILE 34 -3.543 4.135 -5.490 239 1HG2 ILE 34 HG21 ILE 34 -0.357 5.290 -4.717 240 2HG2 ILE 34 HG22 ILE 34 0.316 5.116 -6.338 241 3HG2 ILE 34 HG23 ILE 34 0.508 3.819 -5.160 242 1HD1 ILE 34 HD11 ILE 34 -1.392 3.455 -3.517 243 2HD1 ILE 34 HD12 ILE 34 -2.951 2.675 -3.782 244 3HD1 ILE 34 HD13 ILE 34 -2.870 4.211 -2.921 245 HA PRO 35 HA PRO 35 0.731 3.329 -10.479 246 1HB PRO 35 HB1 PRO 35 0.152 4.765 -12.717 247 2HB PRO 35 HB2 PRO 35 -0.839 3.385 -12.206 248 1HG PRO 35 HG1 PRO 35 -1.343 6.305 -11.902 249 2HG PRO 35 HG2 PRO 35 -2.476 4.997 -12.267 250 1HD PRO 35 HD2 PRO 35 -2.135 6.147 -9.775 251 2HD PRO 35 HD1 PRO 35 -2.826 4.540 -10.070 252 H ASP 36 HN ASP 36 0.732 6.097 -8.828 253 HA ASP 36 HA ASP 36 2.602 7.674 -10.469 254 1HB ASP 36 HB2 ASP 36 0.814 8.008 -8.230 255 2HB ASP 36 HB1 ASP 36 2.414 8.598 -7.781 256 H ASP 37 HN ASP 37 3.633 5.067 -9.827 257 HA ASP 37 HA ASP 37 5.518 4.024 -8.852 258 1HB ASP 37 HB2 ASP 37 6.251 6.129 -10.242 259 2HB ASP 37 HB1 ASP 37 6.611 6.831 -8.664 260 H TRP 38 HN TRP 38 3.416 5.131 -6.966 261 HA TRP 38 HA TRP 38 4.496 6.391 -4.691 262 1HB TRP 38 HB1 TRP 38 2.115 5.957 -5.029 263 2HB TRP 38 HB2 TRP 38 2.393 4.216 -4.995 264 HD1 TRP 38 HD1 TRP 38 1.991 7.229 -2.751 265 HE1 TRP 38 HE1 TRP 38 1.962 6.467 -0.287 266 HE3 TRP 38 HE3 TRP 38 3.339 2.341 -3.328 267 HZ2 TRP 38 HZ2 TRP 38 2.445 4.096 1.235 268 HZ3 TRP 38 HZ3 TRP 38 3.541 0.853 -1.358 269 HH2 TRP 38 HH2 TRP 38 3.101 1.723 0.922 270 H CYS 39 HN CYS 39 5.404 5.543 -2.738 271 HA CYS 39 HA CYS 39 6.216 2.684 -2.699 272 1HB CYS 39 HB1 CYS 39 8.046 5.107 -2.750 273 2HB CYS 39 HB2 CYS 39 8.595 3.513 -2.233 274 HG CYS 39 HG CYS 39 8.737 4.183 -4.981 275 H CYS 40 HN CYS 40 7.906 2.752 -0.529 276 HA CYS 40 HA CYS 40 6.074 3.343 1.673 277 1HB CYS 40 HB1 CYS 40 8.253 1.645 1.080 278 2HB CYS 40 HB2 CYS 40 8.822 2.688 2.377 279 HA PRO 41 HA PRO 41 7.538 7.251 3.031 280 1HB PRO 41 HB1 PRO 41 8.520 6.123 5.604 281 2HB PRO 41 HB2 PRO 41 7.294 7.373 5.323 282 1HG PRO 41 HG1 PRO 41 6.656 4.889 6.117 283 2HG PRO 41 HG2 PRO 41 5.609 5.845 5.058 284 1HD PRO 41 HD2 PRO 41 7.380 3.547 4.398 285 2HD PRO 41 HD1 PRO 41 5.825 4.022 3.684 286 H ASP 42 HN ASP 42 9.761 4.656 4.096 287 HA ASP 42 HA ASP 42 11.981 5.583 2.534 288 1HB ASP 42 HB1 ASP 42 11.429 7.268 4.625 289 2HB ASP 42 HB2 ASP 42 12.567 6.160 5.390 290 H CYS 43 HN CYS 43 11.138 3.046 2.795 291 HA CYS 43 HA CYS 43 13.384 1.715 4.131 292 1HB CYS 43 HB2 CYS 43 11.842 0.387 5.613 293 2HB CYS 43 HB1 CYS 43 11.874 2.104 6.009 294 H GLY 44 HN GLY 44 10.254 1.373 2.453 295 1HA GLY 44 HA1 GLY 44 11.077 -1.309 1.496 296 2HA GLY 44 HA2 GLY 44 9.475 -0.599 1.301 297 H ALA 45 HN ALA 45 10.244 1.914 0.249 298 HA ALA 45 HA ALA 45 10.719 2.929 -1.824 299 1HB ALA 45 HB1 ALA 45 12.922 1.414 -0.912 300 2HB ALA 45 HB2 ALA 45 12.961 2.731 -2.084 301 3HB ALA 45 HB3 ALA 45 12.786 1.066 -2.638 302 H THR 46 HN THR 46 10.674 2.529 -4.197 303 HA THR 46 HA THR 46 9.525 1.584 -6.037 304 HB THR 46 HB THR 46 10.246 -1.126 -5.704 305 HG1 THR 46 HG1 THR 46 12.112 -1.143 -4.675 306 1HG2 THR 46 HG21 THR 46 11.819 1.158 -6.931 307 2HG2 THR 46 HG22 THR 46 10.511 0.280 -7.724 308 3HG2 THR 46 HG23 THR 46 12.011 -0.553 -7.314 309 H LYS 47 HN LYS 47 8.446 -0.983 -6.380 310 HA LYS 47 HA LYS 47 6.235 -1.016 -4.349 311 1HB LYS 47 HB1 LYS 47 6.197 -1.558 -7.342 312 2HB LYS 47 HB2 LYS 47 4.790 -1.633 -6.279 313 1HG LYS 47 HG1 LYS 47 6.085 0.869 -5.823 314 2HG LYS 47 HG2 LYS 47 5.921 0.665 -7.567 315 1HD LYS 47 HD2 LYS 47 3.475 -0.201 -6.728 316 2HD LYS 47 HD1 LYS 47 3.828 1.017 -5.501 317 1HE LYS 47 HE2 LYS 47 4.104 2.736 -7.163 318 2HE LYS 47 HE1 LYS 47 4.099 1.546 -8.479 319 1HZ LYS 47 HZ1 LYS 47 1.853 0.862 -7.668 320 2HZ LYS 47 HZ2 LYS 47 1.904 2.432 -8.313 321 3HZ LYS 47 HZ3 LYS 47 1.866 2.207 -6.631 322 H GLU 48 HN GLU 48 8.573 -2.881 -6.153 323 HA GLU 48 HA GLU 48 7.493 -5.480 -6.067 324 1HB GLU 48 HB1 GLU 48 10.101 -4.143 -6.247 325 2HB GLU 48 HB2 GLU 48 10.212 -5.738 -5.504 326 1HG GLU 48 HG2 GLU 48 10.454 -5.918 -7.943 327 2HG GLU 48 HG1 GLU 48 8.962 -6.700 -7.420 328 H ASP 49 HN ASP 49 8.849 -3.524 -3.473 329 HA ASP 49 HA ASP 49 9.165 -5.702 -1.573 330 1HB ASP 49 HB1 ASP 49 8.947 -2.679 -1.332 331 2HB ASP 49 HB2 ASP 49 9.404 -3.742 -0.001 332 H TYR 50 HN TYR 50 6.470 -3.835 -2.699 333 HA TYR 50 HA TYR 50 4.853 -4.431 -0.280 334 1HB TYR 50 HB1 TYR 50 4.871 -2.548 -2.552 335 2HB TYR 50 HB2 TYR 50 3.263 -3.135 -2.131 336 HD1 TYR 50 HD1 TYR 50 5.905 -0.872 -1.257 337 HD2 TYR 50 HD2 TYR 50 2.573 -3.053 0.350 338 HE1 TYR 50 HE1 TYR 50 5.858 0.646 0.705 339 HE2 TYR 50 HE2 TYR 50 2.524 -1.537 2.312 340 HH TYR 50 HH TYR 50 4.351 -0.024 3.510 341 H VAL 51 HN VAL 51 3.274 -5.992 -0.275 342 HA VAL 51 HA VAL 51 2.493 -7.244 -2.878 343 HB VAL 51 HB VAL 51 2.712 -9.453 -1.703 344 1HG1 VAL 51 HG11 VAL 51 5.101 -9.580 -1.892 345 2HG1 VAL 51 HG12 VAL 51 5.283 -7.863 -1.540 346 3HG1 VAL 51 HG13 VAL 51 4.574 -8.378 -3.070 347 1HG2 VAL 51 HG21 VAL 51 3.993 -7.764 0.466 348 2HG2 VAL 51 HG22 VAL 51 3.903 -9.525 0.445 349 3HG2 VAL 51 HG23 VAL 51 2.429 -8.568 0.597 350 H LEU 52 HN LEU 52 0.412 -8.478 -2.651 351 HA LEU 52 HA LEU 52 -1.516 -6.976 -1.066 352 1HB LEU 52 HB2 LEU 52 -1.571 -8.229 -3.418 353 2HB LEU 52 HB1 LEU 52 -2.119 -9.571 -2.415 354 HG LEU 52 HG LEU 52 -3.375 -6.942 -1.860 355 1HD1 LEU 52 HD21 LEU 52 -5.017 -7.614 -3.829 356 2HD1 LEU 52 HD22 LEU 52 -3.557 -8.343 -4.497 357 3HD1 LEU 52 HD23 LEU 52 -3.595 -6.617 -4.139 358 1HD2 LEU 52 HD11 LEU 52 -4.312 -9.807 -2.142 359 2HD2 LEU 52 HD12 LEU 52 -5.398 -8.460 -1.794 360 3HD2 LEU 52 HD13 LEU 52 -4.120 -8.881 -0.652 361 H TYR 53 HN TYR 53 -1.869 -7.402 1.067 362 HA TYR 53 HA TYR 53 -0.864 -9.644 2.500 363 1HB TYR 53 HB2 TYR 53 -1.802 -7.280 3.186 364 2HB TYR 53 HB1 TYR 53 -3.346 -8.126 3.289 365 HD1 TYR 53 HD1 TYR 53 0.173 -9.115 4.136 366 HD2 TYR 53 HD2 TYR 53 -3.856 -8.580 5.520 367 HE1 TYR 53 HE1 TYR 53 0.818 -10.014 6.354 368 HE2 TYR 53 HE2 TYR 53 -3.213 -9.480 7.740 369 HH TYR 53 HH TYR 53 -0.709 -9.566 9.030 370 H GLU 54 HN GLU 54 -1.732 -11.666 2.922 371 HA GLU 54 HA GLU 54 -3.138 -13.543 2.623 372 1HB GLU 54 HB2 GLU 54 -4.884 -11.156 3.177 373 2HB GLU 54 HB1 GLU 54 -5.645 -12.708 2.830 374 1HG GLU 54 HG2 GLU 54 -4.070 -13.686 4.616 375 2HG GLU 54 HG1 GLU 54 -3.759 -12.015 5.087 376 H GLU 55 HN GLU 55 -2.571 -13.993 0.401 377 HA GLU 55 HA GLU 55 -4.237 -12.737 -1.716 378 1HB GLU 55 HB1 GLU 55 -1.652 -13.148 -1.687 379 2HB GLU 55 HB2 GLU 55 -2.074 -14.818 -2.064 380 1HG GLU 55 HG2 GLU 55 -3.398 -13.993 -4.019 381 2HG GLU 55 HG1 GLU 55 -2.834 -12.359 -3.670 382 H LYS 56 HN LYS 56 -6.163 -13.982 -0.723 383 HA LYS 56 HA LYS 56 -6.260 -16.870 -0.974 384 1HB LYS 56 HB2 LYS 56 -8.323 -14.658 -0.703 385 2HB LYS 56 HB1 LYS 56 -8.738 -16.371 -0.648 386 1HG LYS 56 HG2 LYS 56 -7.066 -16.627 1.228 387 2HG LYS 56 HG1 LYS 56 -6.906 -14.871 1.242 388 1HD LYS 56 HD1 LYS 56 -9.032 -14.546 2.090 389 2HD LYS 56 HD2 LYS 56 -9.663 -16.021 1.358 390 1HE LYS 56 HE2 LYS 56 -8.766 -17.392 3.061 391 2HE LYS 56 HE1 LYS 56 -7.608 -16.151 3.573 392 1HZ LYS 56 HZ1 LYS 56 -10.571 -15.902 3.733 393 2HZ LYS 56 HZ2 LYS 56 -9.438 -14.759 4.277 394 3HZ LYS 56 HZ3 LYS 56 -9.561 -16.267 5.049 Start of MODEL 14 1 H ALA 1 HT1 ALA 1 -15.108 -1.061 -1.692 2 HA ALA 1 HA ALA 1 -14.498 -2.947 -0.356 3 1HB ALA 1 HB1 ALA 1 -14.904 -4.160 -2.926 4 2HB ALA 1 HB2 ALA 1 -14.667 -4.965 -1.374 5 3HB ALA 1 HB3 ALA 1 -13.276 -4.565 -2.382 6 H TYR 2 HN TYR 2 -12.279 -3.224 0.331 7 HA TYR 2 HA TYR 2 -10.246 -1.790 -1.343 8 1HB TYR 2 HB2 TYR 2 -10.960 -1.533 1.594 9 2HB TYR 2 HB1 TYR 2 -9.435 -0.930 0.943 10 HD1 TYR 2 HD1 TYR 2 -12.406 0.259 1.984 11 HD2 TYR 2 HD2 TYR 2 -10.069 0.188 -1.619 12 HE1 TYR 2 HE1 TYR 2 -13.553 2.313 1.199 13 HE2 TYR 2 HE2 TYR 2 -11.216 2.243 -2.404 14 HH TYR 2 HH TYR 2 -13.838 3.287 -1.637 15 H LEU 3 HN LEU 3 -8.336 -2.896 -1.524 16 HA LEU 3 HA LEU 3 -8.071 -5.488 -0.118 17 1HB LEU 3 HB1 LEU 3 -7.250 -4.221 -2.597 18 2HB LEU 3 HB2 LEU 3 -5.855 -4.938 -1.790 19 HG LEU 3 HG LEU 3 -7.381 -7.016 -1.470 20 1HD1 LEU 3 HD21 LEU 3 -8.843 -5.491 -3.644 21 2HD1 LEU 3 HD22 LEU 3 -9.497 -6.011 -2.092 22 3HD1 LEU 3 HD23 LEU 3 -9.081 -7.208 -3.318 23 1HD2 LEU 3 HD11 LEU 3 -5.537 -6.281 -3.403 24 2HD2 LEU 3 HD12 LEU 3 -6.920 -6.812 -4.359 25 3HD2 LEU 3 HD13 LEU 3 -6.191 -7.904 -3.182 26 H LYS 4 HN LYS 4 -5.840 -6.018 0.784 27 HA LYS 4 HA LYS 4 -4.587 -3.601 2.044 28 1HB LYS 4 HB1 LYS 4 -5.170 -6.346 3.217 29 2HB LYS 4 HB2 LYS 4 -4.363 -5.030 4.071 30 1HG LYS 4 HG2 LYS 4 -6.359 -4.163 4.638 31 2HG LYS 4 HG1 LYS 4 -6.785 -4.010 2.933 32 1HD LYS 4 HD1 LYS 4 -8.052 -5.908 2.950 33 2HD LYS 4 HD2 LYS 4 -6.941 -6.755 4.027 34 1HE LYS 4 HE2 LYS 4 -7.812 -5.180 5.882 35 2HE LYS 4 HE1 LYS 4 -9.132 -4.801 4.759 36 1HZ LYS 4 HZ1 LYS 4 -8.304 -7.578 5.405 37 2HZ LYS 4 HZ2 LYS 4 -9.717 -7.074 4.609 38 3HZ LYS 4 HZ3 LYS 4 -9.521 -6.768 6.268 39 H TRP 5 HN TRP 5 -2.437 -3.471 1.576 40 HA TRP 5 HA TRP 5 -1.026 -5.934 0.617 41 1HB TRP 5 HB2 TRP 5 -0.253 -3.004 0.388 42 2HB TRP 5 HB1 TRP 5 0.456 -4.352 -0.493 43 HD1 TRP 5 HD1 TRP 5 -2.995 -2.652 -0.101 44 HE1 TRP 5 HE1 TRP 5 -4.198 -2.759 -2.374 45 HE3 TRP 5 HE3 TRP 5 0.429 -5.330 -2.772 46 HZ2 TRP 5 HZ2 TRP 5 -3.766 -3.856 -4.991 47 HZ3 TRP 5 HZ3 TRP 5 0.012 -5.895 -5.148 48 HH2 TRP 5 HH2 TRP 5 -2.078 -5.162 -6.260 49 H ILE 6 HN ILE 6 1.467 -5.658 1.134 50 HA ILE 6 HA ILE 6 2.032 -4.396 3.716 51 HB ILE 6 HB ILE 6 0.840 -6.569 4.162 52 1HG1 ILE 6 HG11 ILE 6 2.381 -5.468 5.790 53 2HG1 ILE 6 HG12 ILE 6 2.304 -7.215 5.974 54 1HG2 ILE 6 HG21 ILE 6 1.866 -7.827 2.272 55 2HG2 ILE 6 HG22 ILE 6 2.040 -8.662 3.815 56 3HG2 ILE 6 HG23 ILE 6 3.409 -7.794 3.126 57 1HD1 ILE 6 HD11 ILE 6 4.571 -5.514 5.215 58 2HD1 ILE 6 HD12 ILE 6 4.372 -6.927 4.179 59 3HD1 ILE 6 HD13 ILE 6 4.561 -7.132 5.917 60 H CYS 7 HN CYS 7 4.098 -3.663 3.591 61 HA CYS 7 HA CYS 7 5.859 -4.445 1.411 62 1HB CYS 7 HB2 CYS 7 5.609 -2.188 2.620 63 2HB CYS 7 HB1 CYS 7 6.519 -2.913 3.944 64 H ILE 8 HN ILE 8 6.230 -6.733 1.743 65 HA ILE 8 HA ILE 8 6.891 -8.045 4.137 66 HB ILE 8 HB ILE 8 8.029 -9.658 2.599 67 1HG1 ILE 8 HG11 ILE 8 7.463 -7.672 0.396 68 2HG1 ILE 8 HG12 ILE 8 9.027 -7.732 1.209 69 1HG2 ILE 8 HG21 ILE 8 6.084 -10.187 1.302 70 2HG2 ILE 8 HG22 ILE 8 5.549 -8.507 1.302 71 3HG2 ILE 8 HG23 ILE 8 5.501 -9.448 2.793 72 1HD1 ILE 8 HD11 ILE 8 9.218 -9.141 -0.723 73 2HD1 ILE 8 HD12 ILE 8 7.678 -9.929 -0.379 74 3HD1 ILE 8 HD13 ILE 8 9.070 -10.222 0.662 75 H THR 9 HN THR 9 8.814 -5.828 2.256 76 HA THR 9 HA THR 9 11.436 -6.527 3.060 77 HB THR 9 HB THR 9 10.123 -3.832 2.543 78 HG1 THR 9 HG1 THR 9 10.812 -4.210 0.441 79 1HG2 THR 9 HG21 THR 9 12.710 -3.647 1.667 80 2HG2 THR 9 HG22 THR 9 12.901 -4.648 3.106 81 3HG2 THR 9 HG23 THR 9 12.146 -3.059 3.232 82 H CYS 10 HN CYS 10 8.873 -4.862 4.834 83 HA CYS 10 HA CYS 10 10.698 -4.781 7.204 84 1HB CYS 10 HB1 CYS 10 9.737 -2.514 7.683 85 2HB CYS 10 HB2 CYS 10 10.637 -2.567 6.168 86 H GLY 11 HN GLY 11 7.324 -4.782 6.013 87 1HA GLY 11 HA2 GLY 11 5.822 -6.406 7.180 88 2HA GLY 11 HA1 GLY 11 6.548 -5.866 8.691 89 H HIS 12 HN HIS 12 5.929 -3.424 6.315 90 HA HIS 12 HA HIS 12 3.891 -2.228 8.097 91 1HB HIS 12 HB2 HIS 12 5.959 -1.340 6.404 92 2HB HIS 12 HB1 HIS 12 4.472 -0.838 5.601 93 HD1 HIS 12 HD1 HIS 12 4.314 1.599 6.223 94 HD2 HIS 12 HD2 HIS 12 5.083 -0.816 9.534 95 HE1 HIS 12 HE1 HIS 12 4.162 3.101 8.257 96 H ILE 13 HN ILE 13 1.793 -2.852 7.771 97 HA ILE 13 HA ILE 13 0.910 -3.922 5.182 98 HB ILE 13 HB ILE 13 -0.371 -3.409 7.886 99 1HG1 ILE 13 HG12 ILE 13 0.163 -6.028 6.472 100 2HG1 ILE 13 HG11 ILE 13 1.365 -5.260 7.509 101 1HG2 ILE 13 HG21 ILE 13 -1.581 -4.692 5.413 102 2HG2 ILE 13 HG22 ILE 13 -2.134 -3.213 6.202 103 3HG2 ILE 13 HG23 ILE 13 -2.291 -4.764 7.027 104 1HD1 ILE 13 HD11 ILE 13 -1.358 -6.323 8.263 105 2HD1 ILE 13 HD12 ILE 13 -0.516 -5.154 9.281 106 3HD1 ILE 13 HD13 ILE 13 0.210 -6.730 8.962 107 H TYR 14 HN TYR 14 -0.059 -2.708 3.605 108 HA TYR 14 HA TYR 14 -0.721 0.129 4.164 109 1HB TYR 14 HB1 TYR 14 0.606 -0.406 2.188 110 2HB TYR 14 HB2 TYR 14 -0.590 -1.588 1.656 111 HD1 TYR 14 HD1 TYR 14 -2.216 -0.906 0.101 112 HD2 TYR 14 HD2 TYR 14 -0.339 2.014 2.629 113 HE1 TYR 14 HE1 TYR 14 -3.451 0.900 -1.066 114 HE2 TYR 14 HE2 TYR 14 -1.575 3.821 1.462 115 HH TYR 14 HH TYR 14 -4.218 3.292 -0.459 116 H ASP 15 HN ASP 15 -2.794 0.621 4.730 117 HA ASP 15 HA ASP 15 -4.967 -1.312 4.090 118 1HB ASP 15 HB1 ASP 15 -4.913 1.151 5.874 119 2HB ASP 15 HB2 ASP 15 -6.159 -0.097 5.852 120 H GLU 16 HN GLU 16 -5.687 -0.845 2.012 121 HA GLU 16 HA GLU 16 -5.651 1.530 0.581 122 1HB GLU 16 HB2 GLU 16 -7.420 -0.886 0.737 123 2HB GLU 16 HB1 GLU 16 -7.920 0.438 -0.312 124 1HG GLU 16 HG1 GLU 16 -5.425 0.328 -1.151 125 2HG GLU 16 HG2 GLU 16 -5.484 -1.307 -0.495 126 H ALA 17 HN ALA 17 -7.800 0.682 3.235 127 HA ALA 17 HA ALA 17 -9.554 3.013 2.708 128 1HB ALA 17 HB1 ALA 17 -10.455 1.922 5.006 129 2HB ALA 17 HB2 ALA 17 -9.526 0.551 4.401 130 3HB ALA 17 HB3 ALA 17 -10.836 1.224 3.432 131 H LEU 18 HN LEU 18 -6.593 3.063 3.733 132 HA LEU 18 HA LEU 18 -6.886 5.352 5.458 133 1HB LEU 18 HB1 LEU 18 -7.448 2.998 6.713 134 2HB LEU 18 HB2 LEU 18 -5.712 3.101 7.004 135 HG LEU 18 HG LEU 18 -7.438 5.517 7.473 136 1HD1 LEU 18 HD11 LEU 18 -8.175 3.210 8.661 137 2HD1 LEU 18 HD12 LEU 18 -8.271 4.769 9.479 138 3HD1 LEU 18 HD13 LEU 18 -6.896 3.704 9.771 139 1HD2 LEU 18 HD21 LEU 18 -5.685 6.002 9.122 140 2HD2 LEU 18 HD22 LEU 18 -4.960 5.668 7.549 141 3HD2 LEU 18 HD23 LEU 18 -4.937 4.436 8.810 142 H GLY 19 HN GLY 19 -5.328 5.556 3.451 143 1HA GLY 19 HA1 GLY 19 -2.703 4.344 3.690 144 2HA GLY 19 HA2 GLY 19 -3.139 5.647 2.585 145 H ASP 20 HN ASP 20 -1.401 7.016 3.032 146 HA ASP 20 HA ASP 20 -0.837 7.758 5.847 147 1HB ASP 20 HB1 ASP 20 0.512 7.641 3.252 148 2HB ASP 20 HB2 ASP 20 0.814 9.172 4.079 149 H GLU 21 HN GLU 21 -0.583 10.143 6.302 150 HA GLU 21 HA GLU 21 -2.785 11.669 4.983 151 1HB GLU 21 HB1 GLU 21 -1.335 11.777 7.638 152 2HB GLU 21 HB2 GLU 21 -2.384 13.095 7.112 153 1HG GLU 21 HG1 GLU 21 -4.246 11.915 7.602 154 2HG GLU 21 HG2 GLU 21 -3.651 10.498 6.737 155 H ALA 22 HN ALA 22 0.629 11.973 5.987 156 HA ALA 22 HA ALA 22 1.039 14.639 5.024 157 1HB ALA 22 HB1 ALA 22 2.836 12.226 5.436 158 2HB ALA 22 HB2 ALA 22 2.577 13.566 6.553 159 3HB ALA 22 HB3 ALA 22 3.461 13.829 5.049 160 H GLU 23 HN GLU 23 1.753 11.475 3.484 161 HA GLU 23 HA GLU 23 2.723 12.454 1.012 162 1HB GLU 23 HB2 GLU 23 1.064 9.974 1.613 163 2HB GLU 23 HB1 GLU 23 2.173 10.178 0.263 164 1HG GLU 23 HG1 GLU 23 3.705 10.821 2.510 165 2HG GLU 23 HG2 GLU 23 2.753 9.424 3.011 166 H GLY 24 HN GLY 24 -0.514 12.366 2.293 167 1HA GLY 24 HA2 GLY 24 -2.323 13.646 1.325 168 2HA GLY 24 HA1 GLY 24 -1.513 13.552 -0.240 169 H PHE 25 HN PHE 25 -1.727 10.671 1.704 170 HA PHE 25 HA PHE 25 -3.307 9.349 -0.381 171 1HB PHE 25 HB1 PHE 25 -1.497 8.761 1.829 172 2HB PHE 25 HB2 PHE 25 -2.892 7.696 1.866 173 HD1 PHE 25 HD1 PHE 25 -1.540 9.156 -1.264 174 HD2 PHE 25 HD2 PHE 25 -1.674 5.719 1.289 175 HE1 PHE 25 HE1 PHE 25 -0.528 7.784 -3.068 176 HE2 PHE 25 HE2 PHE 25 -0.664 4.335 -0.509 177 HZ PHE 25 HZ PHE 25 -0.089 5.370 -2.688 178 H THR 26 HN THR 26 -5.279 10.724 0.038 179 HA THR 26 HA THR 26 -6.728 10.951 2.399 180 HB THR 26 HB THR 26 -7.196 11.932 0.148 181 HG1 THR 26 HG1 THR 26 -8.952 12.234 1.276 182 1HG2 THR 26 HG21 THR 26 -6.876 9.705 -1.031 183 2HG2 THR 26 HG22 THR 26 -8.274 10.641 -1.559 184 3HG2 THR 26 HG23 THR 26 -8.489 9.270 -0.470 185 HA PRO 27 HA PRO 27 -7.965 6.921 3.642 186 1HB PRO 27 HB1 PRO 27 -10.661 8.010 4.238 187 2HB PRO 27 HB2 PRO 27 -9.484 7.274 5.338 188 1HG PRO 27 HG1 PRO 27 -10.013 9.912 5.330 189 2HG PRO 27 HG2 PRO 27 -8.420 9.258 5.733 190 1HD PRO 27 HD1 PRO 27 -9.341 10.604 3.244 191 2HD PRO 27 HD2 PRO 27 -7.748 10.636 4.027 192 H GLY 28 HN GLY 28 -7.982 6.281 1.314 193 1HA GLY 28 HA2 GLY 28 -10.050 4.759 0.438 194 2HA GLY 28 HA1 GLY 28 -10.570 6.363 -0.082 195 H THR 29 HN THR 29 -7.270 5.032 0.035 196 HA THR 29 HA THR 29 -7.066 5.579 -2.906 197 HB THR 29 HB THR 29 -4.814 5.342 -0.893 198 HG1 THR 29 HG1 THR 29 -5.416 7.158 -0.075 199 1HG2 THR 29 HG21 THR 29 -5.137 6.809 -3.530 200 2HG2 THR 29 HG22 THR 29 -4.194 5.342 -3.266 201 3HG2 THR 29 HG23 THR 29 -3.694 6.859 -2.516 202 H ARG 30 HN ARG 30 -6.535 3.881 -4.223 203 HA ARG 30 HA ARG 30 -5.900 1.261 -2.915 204 1HB ARG 30 HB2 ARG 30 -7.135 1.958 -5.606 205 2HB ARG 30 HB1 ARG 30 -6.947 0.327 -4.962 206 1HG ARG 30 HG2 ARG 30 -8.341 1.041 -2.982 207 2HG ARG 30 HG1 ARG 30 -8.654 2.558 -3.825 208 1HD ARG 30 HD2 ARG 30 -9.129 0.199 -5.514 209 2HD ARG 30 HD1 ARG 30 -10.184 0.267 -4.089 210 HE ARG 30 HE ARG 30 -9.892 2.849 -5.429 211 1HH1 ARG 30 HH11 ARG 30 -11.625 -0.170 -5.354 212 2HH1 ARG 30 HH12 ARG 30 -13.028 0.490 -6.118 213 1HH2 ARG 30 HH22 ARG 30 -11.725 3.683 -6.420 214 2HH2 ARG 30 HH21 ARG 30 -13.086 2.655 -6.719 215 H PHE 31 HN PHE 31 -4.135 0.055 -3.732 216 HA PHE 31 HA PHE 31 -1.854 1.374 -4.727 217 1HB PHE 31 HB1 PHE 31 -2.739 -1.250 -4.068 218 2HB PHE 31 HB2 PHE 31 -2.005 -1.359 -5.667 219 HD1 PHE 31 HD1 PHE 31 0.208 -2.056 -5.544 220 HD2 PHE 31 HD2 PHE 31 -1.290 0.675 -2.587 221 HE1 PHE 31 HE1 PHE 31 2.461 -1.933 -4.519 222 HE2 PHE 31 HE2 PHE 31 0.966 0.798 -1.560 223 HZ PHE 31 HZ PHE 31 2.841 -0.508 -2.528 224 H GLU 32 HN GLU 32 -4.422 -0.322 -6.540 225 HA GLU 32 HA GLU 32 -3.336 -0.243 -9.135 226 1HB GLU 32 HB1 GLU 32 -5.396 -1.395 -8.523 227 2HB GLU 32 HB2 GLU 32 -6.175 0.134 -8.120 228 1HG GLU 32 HG1 GLU 32 -5.048 0.075 -10.834 229 2HG GLU 32 HG2 GLU 32 -6.321 -1.120 -10.576 230 H ASP 33 HN ASP 33 -5.193 2.283 -7.417 231 HA ASP 33 HA ASP 33 -4.990 4.172 -9.641 232 1HB ASP 33 HB2 ASP 33 -6.669 3.819 -7.551 233 2HB ASP 33 HB1 ASP 33 -5.596 5.028 -6.846 234 H ILE 34 HN ILE 34 -2.671 3.063 -7.532 235 HA ILE 34 HA ILE 34 -1.361 5.730 -7.216 236 HB ILE 34 HB ILE 34 -0.988 3.002 -5.927 237 1HG1 ILE 34 HG12 ILE 34 -1.791 5.620 -4.651 238 2HG1 ILE 34 HG11 ILE 34 -2.977 4.498 -5.317 239 1HG2 ILE 34 HG21 ILE 34 0.721 3.976 -4.541 240 2HG2 ILE 34 HG22 ILE 34 0.433 5.580 -5.217 241 3HG2 ILE 34 HG23 ILE 34 1.159 4.319 -6.215 242 1HD1 ILE 34 HD11 ILE 34 -0.900 3.431 -3.439 243 2HD1 ILE 34 HD12 ILE 34 -2.555 2.883 -3.705 244 3HD1 ILE 34 HD13 ILE 34 -2.251 4.345 -2.767 245 HA PRO 35 HA PRO 35 0.905 3.807 -10.724 246 1HB PRO 35 HB1 PRO 35 1.658 6.238 -11.814 247 2HB PRO 35 HB2 PRO 35 0.149 5.399 -12.215 248 1HG PRO 35 HG1 PRO 35 0.622 7.688 -10.379 249 2HG PRO 35 HG2 PRO 35 -0.753 7.358 -11.441 250 1HD PRO 35 HD2 PRO 35 -0.794 6.956 -8.743 251 2HD PRO 35 HD1 PRO 35 -1.792 6.036 -9.889 252 H ASP 36 HN ASP 36 3.256 4.835 -11.557 253 HA ASP 36 HA ASP 36 5.074 4.389 -9.404 254 1HB ASP 36 HB1 ASP 36 5.096 5.264 -12.236 255 2HB ASP 36 HB2 ASP 36 6.498 5.777 -11.295 256 H ASP 37 HN ASP 37 4.741 5.797 -7.641 257 HA ASP 37 HA ASP 37 5.941 8.417 -7.781 258 1HB ASP 37 HB2 ASP 37 3.368 8.268 -8.792 259 2HB ASP 37 HB1 ASP 37 3.086 8.770 -7.126 260 H TRP 38 HN TRP 38 3.670 6.273 -6.090 261 HA TRP 38 HA TRP 38 4.307 7.495 -3.476 262 1HB TRP 38 HB1 TRP 38 2.016 6.800 -4.069 263 2HB TRP 38 HB2 TRP 38 2.575 5.152 -4.350 264 HD1 TRP 38 HD1 TRP 38 2.098 7.708 -1.531 265 HE1 TRP 38 HE1 TRP 38 1.964 6.441 0.710 266 HE3 TRP 38 HE3 TRP 38 3.158 2.976 -3.128 267 HZ2 TRP 38 HZ2 TRP 38 2.267 3.772 1.695 268 HZ3 TRP 38 HZ3 TRP 38 3.229 1.094 -1.519 269 HH2 TRP 38 HH2 TRP 38 2.785 1.484 0.887 270 H CYS 39 HN CYS 39 5.575 6.487 -1.899 271 HA CYS 39 HA CYS 39 6.766 3.825 -2.585 272 1HB CYS 39 HB1 CYS 39 8.171 6.307 -1.523 273 2HB CYS 39 HB2 CYS 39 8.943 4.758 -1.858 274 HG CYS 39 HG CYS 39 8.909 5.245 -4.306 275 H CYS 40 HN CYS 40 8.205 3.265 -0.406 276 HA CYS 40 HA CYS 40 6.192 3.048 1.719 277 1HB CYS 40 HB1 CYS 40 8.292 1.531 0.737 278 2HB CYS 40 HB2 CYS 40 8.953 2.165 2.244 279 HA PRO 41 HA PRO 41 7.769 6.389 4.113 280 1HB PRO 41 HB1 PRO 41 7.037 5.184 6.636 281 2HB PRO 41 HB2 PRO 41 6.154 6.418 5.723 282 1HG PRO 41 HG1 PRO 41 5.322 3.813 6.124 283 2HG PRO 41 HG2 PRO 41 4.721 4.903 4.870 284 1HD PRO 41 HD1 PRO 41 6.646 2.654 4.658 285 2HD PRO 41 HD2 PRO 41 5.486 3.278 3.466 286 H ASP 42 HN ASP 42 9.111 3.275 4.351 287 HA ASP 42 HA ASP 42 11.438 4.381 5.850 288 1HB ASP 42 HB2 ASP 42 11.390 2.323 7.284 289 2HB ASP 42 HB1 ASP 42 9.953 3.322 7.493 290 H CYS 43 HN CYS 43 10.691 3.286 3.019 291 HA CYS 43 HA CYS 43 13.141 1.601 2.775 292 1HB CYS 43 HB2 CYS 43 10.370 0.949 1.715 293 2HB CYS 43 HB1 CYS 43 11.823 0.009 1.381 294 H GLY 44 HN GLY 44 10.471 3.143 0.948 295 1HA GLY 44 HA1 GLY 44 10.616 4.624 -0.885 296 2HA GLY 44 HA2 GLY 44 12.370 4.611 -0.706 297 H ALA 45 HN ALA 45 10.404 1.701 -1.046 298 HA ALA 45 HA ALA 45 11.886 1.092 -3.565 299 1HB ALA 45 HB1 ALA 45 11.773 -1.099 -2.841 300 2HB ALA 45 HB2 ALA 45 10.154 -0.899 -2.173 301 3HB ALA 45 HB3 ALA 45 11.557 -0.319 -1.275 302 H THR 46 HN THR 46 10.287 -0.647 -4.837 303 HA THR 46 HA THR 46 7.965 1.023 -5.653 304 HB THR 46 HB THR 46 8.082 -1.009 -7.438 305 HG1 THR 46 HG1 THR 46 9.754 -2.054 -6.317 306 1HG2 THR 46 HG21 THR 46 8.394 1.461 -7.818 307 2HG2 THR 46 HG22 THR 46 9.416 0.441 -8.830 308 3HG2 THR 46 HG23 THR 46 10.099 1.249 -7.420 309 H LYS 47 HN LYS 47 6.194 -0.745 -6.634 310 HA LYS 47 HA LYS 47 4.812 -1.783 -4.367 311 1HB LYS 47 HB1 LYS 47 4.643 -2.577 -7.300 312 2HB LYS 47 HB2 LYS 47 3.369 -2.781 -6.097 313 1HG LYS 47 HG2 LYS 47 3.582 -0.218 -5.746 314 2HG LYS 47 HG1 LYS 47 4.439 -0.223 -7.287 315 1HD LYS 47 HD2 LYS 47 2.288 -1.747 -7.934 316 2HD LYS 47 HD1 LYS 47 1.567 -0.694 -6.717 317 1HE LYS 47 HE2 LYS 47 2.808 1.216 -8.062 318 2HE LYS 47 HE1 LYS 47 2.761 0.029 -9.380 319 1HZ LYS 47 HZ1 LYS 47 0.345 -0.301 -8.683 320 2HZ LYS 47 HZ2 LYS 47 0.712 1.132 -9.516 321 3HZ LYS 47 HZ3 LYS 47 0.502 1.160 -7.830 322 H GLU 48 HN GLU 48 7.425 -3.102 -6.240 323 HA GLU 48 HA GLU 48 7.047 -5.879 -6.029 324 1HB GLU 48 HB2 GLU 48 9.080 -4.032 -6.672 325 2HB GLU 48 HB1 GLU 48 9.775 -5.070 -5.426 326 1HG GLU 48 HG2 GLU 48 10.217 -6.125 -7.545 327 2HG GLU 48 HG1 GLU 48 8.941 -7.058 -6.761 328 H ASP 49 HN ASP 49 8.325 -3.616 -3.582 329 HA ASP 49 HA ASP 49 8.946 -5.643 -1.610 330 1HB ASP 49 HB1 ASP 49 8.335 -2.666 -1.447 331 2HB ASP 49 HB2 ASP 49 9.024 -3.613 -0.129 332 H TYR 50 HN TYR 50 6.036 -3.968 -2.579 333 HA TYR 50 HA TYR 50 4.563 -4.759 -0.139 334 1HB TYR 50 HB1 TYR 50 4.247 -2.990 -2.522 335 2HB TYR 50 HB2 TYR 50 2.765 -3.610 -1.803 336 HD1 TYR 50 HD1 TYR 50 5.539 -1.300 -1.448 337 HD2 TYR 50 HD2 TYR 50 2.306 -3.202 0.646 338 HE1 TYR 50 HE1 TYR 50 5.718 0.387 0.360 339 HE2 TYR 50 HE2 TYR 50 2.485 -1.515 2.454 340 HH TYR 50 HH TYR 50 4.544 1.299 2.143 341 H VAL 51 HN VAL 51 3.103 -6.448 -0.095 342 HA VAL 51 HA VAL 51 2.520 -7.862 -2.660 343 HB VAL 51 HB VAL 51 4.259 -9.015 -1.364 344 1HG1 VAL 51 HG11 VAL 51 3.620 -8.088 0.805 345 2HG1 VAL 51 HG12 VAL 51 3.681 -9.849 0.884 346 3HG1 VAL 51 HG13 VAL 51 2.129 -9.022 0.770 347 1HG2 VAL 51 HG21 VAL 51 2.448 -10.299 -2.611 348 2HG2 VAL 51 HG22 VAL 51 1.626 -10.485 -1.061 349 3HG2 VAL 51 HG23 VAL 51 3.226 -11.187 -1.301 350 H LEU 52 HN LEU 52 0.487 -9.206 -2.509 351 HA LEU 52 HA LEU 52 -1.664 -7.701 -1.307 352 1HB LEU 52 HB2 LEU 52 -1.401 -9.393 -3.370 353 2HB LEU 52 HB1 LEU 52 -1.927 -10.559 -2.164 354 HG LEU 52 HG LEU 52 -3.868 -9.647 -3.366 355 1HD1 LEU 52 HD11 LEU 52 -3.847 -8.329 -0.655 356 2HD1 LEU 52 HD12 LEU 52 -3.851 -10.085 -0.815 357 3HD1 LEU 52 HD13 LEU 52 -5.184 -9.137 -1.474 358 1HD2 LEU 52 HD21 LEU 52 -3.896 -6.972 -2.352 359 2HD2 LEU 52 HD22 LEU 52 -3.868 -7.500 -4.035 360 3HD2 LEU 52 HD23 LEU 52 -2.354 -7.232 -3.170 361 H TYR 53 HN TYR 53 -1.824 -7.680 0.913 362 HA TYR 53 HA TYR 53 -0.864 -9.707 2.678 363 1HB TYR 53 HB2 TYR 53 -1.505 -7.226 3.052 364 2HB TYR 53 HB1 TYR 53 -3.159 -7.811 3.224 365 HD1 TYR 53 HD1 TYR 53 -3.808 -8.009 5.457 366 HD2 TYR 53 HD2 TYR 53 0.215 -9.020 4.345 367 HE1 TYR 53 HE1 TYR 53 -3.324 -8.663 7.800 368 HE2 TYR 53 HE2 TYR 53 0.700 -9.672 6.686 369 HH TYR 53 HH TYR 53 -1.470 -10.397 8.878 370 H GLU 54 HN GLU 54 -1.875 -11.490 3.596 371 HA GLU 54 HA GLU 54 -3.423 -13.266 3.751 372 1HB GLU 54 HB1 GLU 54 -4.634 -10.720 4.253 373 2HB GLU 54 HB2 GLU 54 -5.816 -11.714 3.402 374 1HG GLU 54 HG2 GLU 54 -5.013 -13.569 5.110 375 2HG GLU 54 HG1 GLU 54 -4.513 -12.173 6.065 376 H GLU 55 HN GLU 55 -2.910 -14.238 1.681 377 HA GLU 55 HA GLU 55 -4.533 -13.407 -0.664 378 1HB GLU 55 HB2 GLU 55 -2.056 -13.866 -0.761 379 2HB GLU 55 HB1 GLU 55 -2.394 -15.543 -0.337 380 1HG GLU 55 HG1 GLU 55 -3.631 -15.896 -2.362 381 2HG GLU 55 HG2 GLU 55 -3.652 -14.170 -2.725 382 H LYS 56 HN LYS 56 -6.275 -14.388 1.157 383 HA LYS 56 HA LYS 56 -7.876 -16.083 1.545 384 1HB LYS 56 HB2 LYS 56 -7.541 -15.637 -1.132 385 2HB LYS 56 HB1 LYS 56 -7.196 -17.365 -1.047 386 1HG LYS 56 HG2 LYS 56 -9.331 -17.819 -0.028 387 2HG LYS 56 HG1 LYS 56 -9.650 -16.099 0.200 388 1HD LYS 56 HD2 LYS 56 -10.857 -16.468 -1.742 389 2HD LYS 56 HD1 LYS 56 -9.293 -16.046 -2.439 390 1HE LYS 56 HE1 LYS 56 -8.725 -18.498 -2.505 391 2HE LYS 56 HE2 LYS 56 -10.385 -18.846 -1.979 392 1HZ LYS 56 HZ1 LYS 56 -10.031 -18.769 -4.461 393 2HZ LYS 56 HZ2 LYS 56 -9.747 -17.102 -4.299 394 3HZ LYS 56 HZ3 LYS 56 -11.257 -17.751 -3.873 Start of MODEL 15 1 H ALA 1 HT1 ALA 1 -15.715 -1.512 0.140 2 HA ALA 1 HA ALA 1 -14.446 -2.970 1.446 3 1HB ALA 1 HB1 ALA 1 -13.339 -4.842 -0.259 4 2HB ALA 1 HB2 ALA 1 -14.935 -4.600 -0.968 5 3HB ALA 1 HB3 ALA 1 -14.786 -5.110 0.713 6 H TYR 2 HN TYR 2 -11.987 -3.305 1.369 7 HA TYR 2 HA TYR 2 -10.672 -1.658 -0.751 8 1HB TYR 2 HB2 TYR 2 -10.659 -1.310 2.259 9 2HB TYR 2 HB1 TYR 2 -9.392 -0.619 1.247 10 HD1 TYR 2 HD1 TYR 2 -10.665 0.348 -1.111 11 HD2 TYR 2 HD2 TYR 2 -12.178 0.335 2.908 12 HE1 TYR 2 HE1 TYR 2 -12.151 2.257 -1.664 13 HE2 TYR 2 HE2 TYR 2 -13.664 2.242 2.356 14 HH TYR 2 HH TYR 2 -14.085 3.354 -0.919 15 H LEU 3 HN LEU 3 -8.735 -2.541 -1.389 16 HA LEU 3 HA LEU 3 -7.895 -5.096 -0.223 17 1HB LEU 3 HB1 LEU 3 -7.526 -3.489 -2.638 18 2HB LEU 3 HB2 LEU 3 -6.011 -4.211 -2.102 19 HG LEU 3 HG LEU 3 -7.189 -6.422 -1.948 20 1HD1 LEU 3 HD11 LEU 3 -9.425 -6.574 -2.207 21 2HD1 LEU 3 HD12 LEU 3 -9.372 -5.657 -3.713 22 3HD1 LEU 3 HD13 LEU 3 -9.470 -4.811 -2.168 23 1HD2 LEU 3 HD21 LEU 3 -6.452 -4.935 -4.319 24 2HD2 LEU 3 HD22 LEU 3 -7.746 -6.076 -4.692 25 3HD2 LEU 3 HD23 LEU 3 -6.240 -6.653 -3.978 26 H LYS 4 HN LYS 4 -5.545 -5.440 0.331 27 HA LYS 4 HA LYS 4 -4.255 -3.004 1.501 28 1HB LYS 4 HB1 LYS 4 -4.545 -5.734 2.791 29 2HB LYS 4 HB2 LYS 4 -3.826 -4.308 3.532 30 1HG LYS 4 HG1 LYS 4 -5.962 -3.145 3.481 31 2HG LYS 4 HG2 LYS 4 -6.703 -4.470 2.585 32 1HD LYS 4 HD2 LYS 4 -6.467 -5.969 4.456 33 2HD LYS 4 HD1 LYS 4 -5.466 -4.808 5.331 34 1HE LYS 4 HE1 LYS 4 -8.091 -3.733 4.507 35 2HE LYS 4 HE2 LYS 4 -8.182 -5.060 5.680 36 1HZ LYS 4 HZ1 LYS 4 -6.701 -3.950 7.124 37 2HZ LYS 4 HZ2 LYS 4 -7.817 -2.764 6.640 38 3HZ LYS 4 HZ3 LYS 4 -6.268 -2.807 5.945 39 H TRP 5 HN TRP 5 -1.946 -3.141 1.603 40 HA TRP 5 HA TRP 5 -0.720 -5.485 0.176 41 1HB TRP 5 HB2 TRP 5 -0.018 -2.548 -0.193 42 2HB TRP 5 HB1 TRP 5 0.621 -3.904 -1.118 43 HD1 TRP 5 HD1 TRP 5 -2.845 -2.372 -0.354 44 HE1 TRP 5 HE1 TRP 5 -4.263 -2.482 -2.479 45 HE3 TRP 5 HE3 TRP 5 0.431 -4.774 -3.435 46 HZ2 TRP 5 HZ2 TRP 5 -4.051 -3.487 -5.164 47 HZ3 TRP 5 HZ3 TRP 5 -0.205 -5.302 -5.773 48 HH2 TRP 5 HH2 TRP 5 -2.438 -4.663 -6.640 49 H ILE 6 HN ILE 6 0.946 -6.318 1.394 50 HA ILE 6 HA ILE 6 2.029 -4.623 3.579 51 HB ILE 6 HB ILE 6 0.936 -6.874 3.915 52 1HG1 ILE 6 HG11 ILE 6 2.408 -5.813 5.595 53 2HG1 ILE 6 HG12 ILE 6 2.500 -7.569 5.638 54 1HG2 ILE 6 HG21 ILE 6 1.879 -8.837 3.154 55 2HG2 ILE 6 HG22 ILE 6 3.508 -8.164 3.118 56 3HG2 ILE 6 HG23 ILE 6 2.359 -7.758 1.845 57 1HD1 ILE 6 HD11 ILE 6 4.739 -7.207 5.584 58 2HD1 ILE 6 HD12 ILE 6 4.562 -5.592 4.899 59 3HD1 ILE 6 HD13 ILE 6 4.479 -7.011 3.855 60 H CYS 7 HN CYS 7 4.131 -3.964 3.585 61 HA CYS 7 HA CYS 7 5.808 -4.446 1.230 62 1HB CYS 7 HB2 CYS 7 5.536 -2.298 2.599 63 2HB CYS 7 HB1 CYS 7 6.478 -3.090 3.862 64 H ILE 8 HN ILE 8 6.391 -6.670 1.288 65 HA ILE 8 HA ILE 8 7.134 -8.191 3.532 66 HB ILE 8 HB ILE 8 6.696 -9.063 1.283 67 1HG1 ILE 8 HG12 ILE 8 9.514 -9.843 1.573 68 2HG1 ILE 8 HG11 ILE 8 8.548 -10.021 3.033 69 1HG2 ILE 8 HG21 ILE 8 8.338 -6.998 0.512 70 2HG2 ILE 8 HG22 ILE 8 7.772 -8.294 -0.542 71 3HG2 ILE 8 HG23 ILE 8 9.346 -8.418 0.242 72 1HD1 ILE 8 HD11 ILE 8 7.717 -11.087 0.320 73 2HD1 ILE 8 HD12 ILE 8 6.945 -11.413 1.872 74 3HD1 ILE 8 HD13 ILE 8 8.552 -12.057 1.534 75 H THR 9 HN THR 9 8.882 -5.664 1.931 76 HA THR 9 HA THR 9 11.560 -6.378 2.593 77 HB THR 9 HB THR 9 10.161 -3.696 2.297 78 HG1 THR 9 HG1 THR 9 11.678 -5.189 0.431 79 1HG2 THR 9 HG21 THR 9 12.168 -2.929 3.055 80 2HG2 THR 9 HG22 THR 9 12.717 -3.326 1.425 81 3HG2 THR 9 HG23 THR 9 12.981 -4.464 2.746 82 H CYS 10 HN CYS 10 8.990 -4.925 4.541 83 HA CYS 10 HA CYS 10 10.894 -4.923 6.856 84 1HB CYS 10 HB1 CYS 10 9.793 -2.784 7.546 85 2HB CYS 10 HB2 CYS 10 10.600 -2.652 5.985 86 H GLY 11 HN GLY 11 7.492 -5.128 5.787 87 1HA GLY 11 HA2 GLY 11 6.110 -6.886 6.864 88 2HA GLY 11 HA1 GLY 11 6.920 -6.501 8.379 89 H HIS 12 HN HIS 12 5.711 -4.119 6.048 90 HA HIS 12 HA HIS 12 3.827 -3.161 8.176 91 1HB HIS 12 HB1 HIS 12 5.878 -1.821 7.206 92 2HB HIS 12 HB2 HIS 12 4.811 -1.543 5.830 93 HD1 HIS 12 HD1 HIS 12 3.581 0.601 6.063 94 HD2 HIS 12 HD2 HIS 12 4.203 -1.201 9.772 95 HE1 HIS 12 HE1 HIS 12 2.515 2.120 7.788 96 H ILE 13 HN ILE 13 1.670 -3.272 7.695 97 HA ILE 13 HA ILE 13 0.853 -4.140 4.991 98 HB ILE 13 HB ILE 13 -0.635 -3.710 7.606 99 1HG1 ILE 13 HG12 ILE 13 -0.121 -6.402 6.438 100 2HG1 ILE 13 HG11 ILE 13 1.258 -5.569 7.157 101 1HG2 ILE 13 HG21 ILE 13 -2.503 -3.942 6.365 102 2HG2 ILE 13 HG22 ILE 13 -1.968 -5.577 5.973 103 3HG2 ILE 13 HG23 ILE 13 -1.558 -4.233 4.905 104 1HD1 ILE 13 HD11 ILE 13 -0.999 -5.244 8.893 105 2HD1 ILE 13 HD12 ILE 13 0.514 -6.092 9.216 106 3HD1 ILE 13 HD13 ILE 13 -0.845 -6.956 8.496 107 H TYR 14 HN TYR 14 -0.543 -2.967 3.660 108 HA TYR 14 HA TYR 14 -0.881 -0.068 4.342 109 1HB TYR 14 HB1 TYR 14 0.463 -0.539 2.351 110 2HB TYR 14 HB2 TYR 14 -0.788 -1.606 1.717 111 HD1 TYR 14 HD1 TYR 14 -2.632 -0.734 0.456 112 HD2 TYR 14 HD2 TYR 14 -0.076 1.922 2.677 113 HE1 TYR 14 HE1 TYR 14 -3.725 1.219 -0.611 114 HE2 TYR 14 HE2 TYR 14 -1.175 3.868 1.610 115 HH TYR 14 HH TYR 14 -4.065 3.555 -0.262 116 H ASP 15 HN ASP 15 -2.952 0.633 4.675 117 HA ASP 15 HA ASP 15 -5.194 -1.220 3.995 118 1HB ASP 15 HB2 ASP 15 -4.722 -0.427 6.366 119 2HB ASP 15 HB1 ASP 15 -5.129 1.202 5.828 120 H GLU 16 HN GLU 16 -5.927 -0.664 1.959 121 HA GLU 16 HA GLU 16 -5.753 1.765 0.600 122 1HB GLU 16 HB2 GLU 16 -7.547 -0.619 0.633 123 2HB GLU 16 HB1 GLU 16 -8.105 0.773 -0.291 124 1HG GLU 16 HG1 GLU 16 -5.764 0.797 -1.353 125 2HG GLU 16 HG2 GLU 16 -5.555 -0.807 -0.654 126 H ALA 17 HN ALA 17 -7.896 0.920 3.243 127 HA ALA 17 HA ALA 17 -9.663 3.240 2.793 128 1HB ALA 17 HB1 ALA 17 -9.944 1.957 5.357 129 2HB ALA 17 HB2 ALA 17 -9.716 0.719 4.122 130 3HB ALA 17 HB3 ALA 17 -11.035 1.880 3.975 131 H LEU 18 HN LEU 18 -6.604 3.251 3.704 132 HA LEU 18 HA LEU 18 -6.772 5.685 5.233 133 1HB LEU 18 HB1 LEU 18 -7.468 3.582 6.737 134 2HB LEU 18 HB2 LEU 18 -5.718 3.412 6.887 135 HG LEU 18 HG LEU 18 -5.746 5.953 7.443 136 1HD1 LEU 18 HD21 LEU 18 -8.481 5.462 8.516 137 2HD1 LEU 18 HD22 LEU 18 -8.354 5.805 6.791 138 3HD1 LEU 18 HD23 LEU 18 -7.742 6.967 7.967 139 1HD2 LEU 18 HD11 LEU 18 -5.844 5.446 9.747 140 2HD2 LEU 18 HD12 LEU 18 -5.412 3.907 9.003 141 3HD2 LEU 18 HD13 LEU 18 -7.074 4.205 9.511 142 H GLY 19 HN GLY 19 -5.271 5.631 3.175 143 1HA GLY 19 HA1 GLY 19 -2.740 4.314 3.272 144 2HA GLY 19 HA2 GLY 19 -3.100 5.740 2.302 145 H ASP 20 HN ASP 20 -1.234 6.909 2.766 146 HA ASP 20 HA ASP 20 -0.521 7.390 5.612 147 1HB ASP 20 HB1 ASP 20 0.764 7.382 2.939 148 2HB ASP 20 HB2 ASP 20 1.357 8.626 4.043 149 H GLU 21 HN GLU 21 0.057 9.691 6.179 150 HA GLU 21 HA GLU 21 -1.886 11.582 4.913 151 1HB GLU 21 HB1 GLU 21 -0.582 11.310 7.635 152 2HB GLU 21 HB2 GLU 21 -1.430 12.783 7.163 153 1HG GLU 21 HG2 GLU 21 -3.451 11.399 6.651 154 2HG GLU 21 HG1 GLU 21 -2.595 9.984 7.267 155 H ALA 22 HN ALA 22 1.501 10.994 5.442 156 HA ALA 22 HA ALA 22 2.358 13.766 5.072 157 1HB ALA 22 HB1 ALA 22 4.601 12.457 4.807 158 2HB ALA 22 HB2 ALA 22 3.641 11.032 5.209 159 3HB ALA 22 HB3 ALA 22 3.770 12.361 6.360 160 H GLU 23 HN GLU 23 2.031 10.879 3.026 161 HA GLU 23 HA GLU 23 3.265 12.166 0.700 162 1HB GLU 23 HB1 GLU 23 3.307 9.708 1.269 163 2HB GLU 23 HB2 GLU 23 1.578 9.650 0.929 164 1HG GLU 23 HG1 GLU 23 2.263 9.148 -1.189 165 2HG GLU 23 HG2 GLU 23 2.505 10.891 -1.319 166 H GLY 24 HN GLY 24 0.133 12.180 2.131 167 1HA GLY 24 HA2 GLY 24 -1.676 13.562 1.358 168 2HA GLY 24 HA1 GLY 24 -0.937 13.588 -0.244 169 H PHE 25 HN PHE 25 -1.287 10.596 1.537 170 HA PHE 25 HA PHE 25 -2.889 9.447 -0.633 171 1HB PHE 25 HB1 PHE 25 -1.146 8.671 1.546 172 2HB PHE 25 HB2 PHE 25 -2.630 7.737 1.629 173 HD1 PHE 25 HD1 PHE 25 -1.207 9.046 -1.541 174 HD2 PHE 25 HD2 PHE 25 -1.631 5.647 1.036 175 HE1 PHE 25 HE1 PHE 25 -0.357 7.572 -3.348 176 HE2 PHE 25 HE2 PHE 25 -0.788 4.166 -0.766 177 HZ PHE 25 HZ PHE 25 -0.149 5.131 -2.959 178 H THR 26 HN THR 26 -4.849 10.821 -0.283 179 HA THR 26 HA THR 26 -6.348 11.095 2.045 180 HB THR 26 HB THR 26 -6.738 12.076 -0.220 181 HG1 THR 26 HG1 THR 26 -8.572 12.444 0.708 182 1HG2 THR 26 HG21 THR 26 -8.247 9.600 -0.967 183 2HG2 THR 26 HG22 THR 26 -6.503 9.645 -1.223 184 3HG2 THR 26 HG23 THR 26 -7.541 10.836 -2.009 185 HA PRO 27 HA PRO 27 -7.500 7.044 3.359 186 1HB PRO 27 HB1 PRO 27 -10.165 8.255 3.949 187 2HB PRO 27 HB2 PRO 27 -9.072 7.368 5.026 188 1HG PRO 27 HG2 PRO 27 -9.367 10.028 5.167 189 2HG PRO 27 HG1 PRO 27 -7.827 9.229 5.508 190 1HD PRO 27 HD2 PRO 27 -8.651 10.819 3.141 191 2HD PRO 27 HD1 PRO 27 -7.043 10.613 3.866 192 H GLY 28 HN GLY 28 -7.830 5.676 1.616 193 1HA GLY 28 HA2 GLY 28 -9.913 4.521 0.607 194 2HA GLY 28 HA1 GLY 28 -10.273 6.117 -0.046 195 H THR 29 HN THR 29 -7.115 6.303 -0.269 196 HA THR 29 HA THR 29 -6.878 5.964 -3.036 197 HB THR 29 HB THR 29 -4.592 5.331 -1.183 198 HG1 THR 29 HG1 THR 29 -5.600 7.941 -1.513 199 1HG2 THR 29 HG21 THR 29 -4.718 5.877 -3.838 200 2HG2 THR 29 HG22 THR 29 -3.318 6.265 -2.837 201 3HG2 THR 29 HG23 THR 29 -4.516 7.508 -3.198 202 H ARG 30 HN ARG 30 -6.768 4.190 -4.345 203 HA ARG 30 HA ARG 30 -6.358 1.513 -3.064 204 1HB ARG 30 HB2 ARG 30 -7.798 2.521 -5.532 205 2HB ARG 30 HB1 ARG 30 -7.484 0.804 -5.280 206 1HG ARG 30 HG1 ARG 30 -8.637 0.992 -3.052 207 2HG ARG 30 HG2 ARG 30 -9.074 2.648 -3.473 208 1HD ARG 30 HD2 ARG 30 -10.973 1.510 -4.223 209 2HD ARG 30 HD1 ARG 30 -9.980 1.457 -5.692 210 HE ARG 30 HE ARG 30 -9.183 -0.749 -4.142 211 1HH1 ARG 30 HH11 ARG 30 -12.099 0.415 -5.644 212 2HH1 ARG 30 HH12 ARG 30 -12.738 -1.173 -5.891 213 1HH2 ARG 30 HH22 ARG 30 -10.034 -2.802 -4.473 214 2HH2 ARG 30 HH21 ARG 30 -11.579 -2.981 -5.233 215 H PHE 31 HN PHE 31 -4.575 0.325 -3.694 216 HA PHE 31 HA PHE 31 -2.325 1.355 -4.956 217 1HB PHE 31 HB1 PHE 31 -3.343 -1.157 -4.068 218 2HB PHE 31 HB2 PHE 31 -2.648 -1.413 -5.669 219 HD1 PHE 31 HD1 PHE 31 -0.542 -2.394 -5.359 220 HD2 PHE 31 HD2 PHE 31 -1.689 0.960 -2.932 221 HE1 PHE 31 HE1 PHE 31 1.737 -2.317 -4.388 222 HE2 PHE 31 HE2 PHE 31 0.590 1.036 -1.962 223 HZ PHE 31 HZ PHE 31 2.306 -0.603 -2.690 224 H GLU 32 HN GLU 32 -4.843 -0.634 -6.572 225 HA GLU 32 HA GLU 32 -3.837 -0.607 -9.193 226 1HB GLU 32 HB1 GLU 32 -5.783 -1.871 -8.402 227 2HB GLU 32 HB2 GLU 32 -6.688 -0.376 -8.171 228 1HG GLU 32 HG2 GLU 32 -6.895 0.003 -10.472 229 2HG GLU 32 HG1 GLU 32 -5.501 -1.005 -10.862 230 H ASP 33 HN ASP 33 -5.679 1.885 -7.472 231 HA ASP 33 HA ASP 33 -5.749 3.656 -9.825 232 1HB ASP 33 HB1 ASP 33 -7.592 3.473 -8.153 233 2HB ASP 33 HB2 ASP 33 -6.496 4.065 -6.905 234 H ILE 34 HN ILE 34 -3.251 2.763 -7.921 235 HA ILE 34 HA ILE 34 -2.172 5.549 -7.650 236 HB ILE 34 HB ILE 34 -1.607 2.908 -6.260 237 1HG1 ILE 34 HG12 ILE 34 -2.422 5.569 -5.087 238 2HG1 ILE 34 HG11 ILE 34 -3.603 4.377 -5.625 239 1HG2 ILE 34 HG21 ILE 34 0.512 3.672 -5.996 240 2HG2 ILE 34 HG22 ILE 34 -0.198 4.839 -4.880 241 3HG2 ILE 34 HG23 ILE 34 0.090 5.290 -6.561 242 1HD1 ILE 34 HD11 ILE 34 -1.513 3.196 -3.955 243 2HD1 ILE 34 HD12 ILE 34 -3.265 3.087 -3.794 244 3HD1 ILE 34 HD13 ILE 34 -2.403 4.466 -3.114 245 HA PRO 35 HA PRO 35 0.193 3.399 -11.050 246 1HB PRO 35 HB2 PRO 35 0.048 5.485 -12.840 247 2HB PRO 35 HB1 PRO 35 -1.171 4.201 -12.750 248 1HG PRO 35 HG1 PRO 35 -1.240 6.968 -11.652 249 2HG PRO 35 HG2 PRO 35 -2.534 6.019 -12.397 250 1HD PRO 35 HD1 PRO 35 -2.280 6.375 -9.703 251 2HD PRO 35 HD2 PRO 35 -3.046 4.952 -10.438 252 H ASP 36 HN ASP 36 0.297 6.499 -9.454 253 HA ASP 36 HA ASP 36 2.728 7.592 -10.372 254 1HB ASP 36 HB1 ASP 36 1.297 7.533 -7.702 255 2HB ASP 36 HB2 ASP 36 2.759 8.491 -7.943 256 H ASP 37 HN ASP 37 4.605 7.724 -8.453 257 HA ASP 37 HA ASP 37 5.601 4.919 -8.270 258 1HB ASP 37 HB2 ASP 37 6.692 7.618 -8.703 259 2HB ASP 37 HB1 ASP 37 7.638 6.668 -7.558 260 H TRP 38 HN TRP 38 3.624 5.641 -6.364 261 HA TRP 38 HA TRP 38 4.477 6.725 -3.915 262 1HB TRP 38 HB1 TRP 38 2.176 6.056 -4.456 263 2HB TRP 38 HB2 TRP 38 2.662 4.363 -4.534 264 HD1 TRP 38 HD1 TRP 38 2.300 7.248 -2.020 265 HE1 TRP 38 HE1 TRP 38 2.021 6.241 0.338 266 HE3 TRP 38 HE3 TRP 38 3.021 2.307 -3.082 267 HZ2 TRP 38 HZ2 TRP 38 2.095 3.674 1.604 268 HZ3 TRP 38 HZ3 TRP 38 2.912 0.604 -1.286 269 HH2 TRP 38 HH2 TRP 38 2.450 1.281 1.055 270 H CYS 39 HN CYS 39 5.596 5.864 -2.119 271 HA CYS 39 HA CYS 39 6.805 3.142 -2.481 272 1HB CYS 39 HB1 CYS 39 8.060 5.767 -1.604 273 2HB CYS 39 HB2 CYS 39 8.878 4.210 -1.494 274 HG CYS 39 HG CYS 39 8.973 5.795 -3.914 275 H CYS 40 HN CYS 40 8.164 2.963 -0.103 276 HA CYS 40 HA CYS 40 5.966 2.717 1.847 277 1HB CYS 40 HB1 CYS 40 8.196 1.259 1.166 278 2HB CYS 40 HB2 CYS 40 8.760 2.099 2.609 279 HA PRO 41 HA PRO 41 7.122 6.461 3.898 280 1HB PRO 41 HB1 PRO 41 5.741 6.097 6.237 281 2HB PRO 41 HB2 PRO 41 4.946 6.513 4.709 282 1HG PRO 41 HG2 PRO 41 5.151 3.892 6.094 283 2HG PRO 41 HG1 PRO 41 3.818 4.568 5.149 284 1HD PRO 41 HD2 PRO 41 5.612 2.683 4.227 285 2HD PRO 41 HD1 PRO 41 4.649 3.758 3.192 286 H ASP 42 HN ASP 42 7.831 3.306 5.162 287 HA ASP 42 HA ASP 42 9.620 4.485 7.250 288 1HB ASP 42 HB1 ASP 42 7.793 2.283 7.104 289 2HB ASP 42 HB2 ASP 42 9.410 1.627 7.359 290 H CYS 43 HN CYS 43 9.582 2.493 4.340 291 HA CYS 43 HA CYS 43 12.500 1.952 4.636 292 1HB CYS 43 HB1 CYS 43 10.285 0.923 2.834 293 2HB CYS 43 HB2 CYS 43 11.973 0.457 2.635 294 H GLY 44 HN GLY 44 10.456 2.613 1.787 295 1HA GLY 44 HA2 GLY 44 10.765 4.800 0.584 296 2HA GLY 44 HA1 GLY 44 12.482 4.648 0.954 297 H ALA 45 HN ALA 45 10.542 1.880 0.001 298 HA ALA 45 HA ALA 45 12.219 1.650 -2.458 299 1HB ALA 45 HB1 ALA 45 10.649 -0.668 -1.976 300 2HB ALA 45 HB2 ALA 45 11.193 -0.104 -0.396 301 3HB ALA 45 HB3 ALA 45 12.372 -0.467 -1.658 302 H THR 46 HN THR 46 10.752 0.170 -4.131 303 HA THR 46 HA THR 46 8.460 1.946 -4.803 304 HB THR 46 HB THR 46 8.726 0.913 -7.020 305 HG1 THR 46 HG1 THR 46 9.499 -1.015 -7.109 306 1HG2 THR 46 HG21 THR 46 10.395 2.674 -6.073 307 2HG2 THR 46 HG22 THR 46 10.830 1.818 -7.551 308 3HG2 THR 46 HG23 THR 46 11.533 1.327 -6.010 309 H LYS 47 HN LYS 47 6.821 0.353 -6.232 310 HA LYS 47 HA LYS 47 5.279 -1.080 -4.302 311 1HB LYS 47 HB2 LYS 47 4.655 -0.038 -6.575 312 2HB LYS 47 HB1 LYS 47 5.308 -1.503 -7.307 313 1HG LYS 47 HG1 LYS 47 3.746 -2.760 -5.654 314 2HG LYS 47 HG2 LYS 47 2.926 -1.208 -5.484 315 1HD LYS 47 HD1 LYS 47 3.233 -1.458 -8.229 316 2HD LYS 47 HD2 LYS 47 2.875 -3.107 -7.716 317 1HE LYS 47 HE1 LYS 47 0.725 -2.577 -7.120 318 2HE LYS 47 HE2 LYS 47 1.199 -1.001 -6.459 319 1HZ LYS 47 HZ1 LYS 47 1.060 -1.714 -9.346 320 2HZ LYS 47 HZ2 LYS 47 1.555 -0.212 -8.728 321 3HZ LYS 47 HZ3 LYS 47 -0.049 -0.730 -8.520 322 H GLU 48 HN GLU 48 8.091 -2.018 -6.100 323 HA GLU 48 HA GLU 48 7.696 -4.802 -6.433 324 1HB GLU 48 HB2 GLU 48 9.873 -2.837 -6.325 325 2HB GLU 48 HB1 GLU 48 10.383 -4.439 -5.789 326 1HG GLU 48 HG1 GLU 48 9.585 -5.442 -7.852 327 2HG GLU 48 HG2 GLU 48 8.881 -3.909 -8.370 328 H ASP 49 HN ASP 49 8.455 -2.937 -3.546 329 HA ASP 49 HA ASP 49 9.139 -5.328 -1.963 330 1HB ASP 49 HB1 ASP 49 8.774 -2.368 -1.402 331 2HB ASP 49 HB2 ASP 49 9.227 -3.529 -0.154 332 H TYR 50 HN TYR 50 6.286 -3.546 -2.792 333 HA TYR 50 HA TYR 50 4.790 -4.474 -0.410 334 1HB TYR 50 HB1 TYR 50 4.579 -2.458 -2.555 335 2HB TYR 50 HB2 TYR 50 3.041 -3.200 -2.118 336 HD1 TYR 50 HD1 TYR 50 5.499 -0.762 -1.206 337 HD2 TYR 50 HD2 TYR 50 2.476 -3.351 0.400 338 HE1 TYR 50 HE1 TYR 50 5.412 0.619 0.853 339 HE2 TYR 50 HE2 TYR 50 2.386 -1.974 2.460 340 HH TYR 50 HH TYR 50 2.922 0.359 3.135 341 H VAL 51 HN VAL 51 3.301 -6.124 -0.472 342 HA VAL 51 HA VAL 51 2.657 -7.335 -3.137 343 HB VAL 51 HB VAL 51 3.437 -8.706 -0.534 344 1HG1 VAL 51 HG21 VAL 51 3.435 -10.751 -2.088 345 2HG1 VAL 51 HG22 VAL 51 2.507 -9.758 -3.213 346 3HG1 VAL 51 HG23 VAL 51 1.856 -10.125 -1.615 347 1HG2 VAL 51 HG11 VAL 51 5.353 -7.717 -1.691 348 2HG2 VAL 51 HG12 VAL 51 4.841 -8.450 -3.211 349 3HG2 VAL 51 HG13 VAL 51 5.392 -9.470 -1.883 350 H LEU 52 HN LEU 52 0.638 -8.677 -3.027 351 HA LEU 52 HA LEU 52 -1.456 -7.298 -1.561 352 1HB LEU 52 HB2 LEU 52 -1.331 -8.598 -3.878 353 2HB LEU 52 HB1 LEU 52 -1.778 -9.977 -2.881 354 HG LEU 52 HG LEU 52 -3.787 -8.887 -3.792 355 1HD1 LEU 52 HD11 LEU 52 -5.002 -8.754 -1.759 356 2HD1 LEU 52 HD12 LEU 52 -3.603 -8.153 -0.870 357 3HD1 LEU 52 HD13 LEU 52 -3.654 -9.833 -1.401 358 1HD2 LEU 52 HD21 LEU 52 -4.067 -6.636 -3.839 359 2HD2 LEU 52 HD22 LEU 52 -2.342 -6.555 -3.483 360 3HD2 LEU 52 HD23 LEU 52 -3.519 -6.447 -2.175 361 H TYR 53 HN TYR 53 -1.836 -7.683 0.582 362 HA TYR 53 HA TYR 53 -0.788 -9.921 2.042 363 1HB TYR 53 HB2 TYR 53 -1.535 -7.563 2.794 364 2HB TYR 53 HB1 TYR 53 -3.175 -8.213 2.795 365 HD1 TYR 53 HD1 TYR 53 -3.953 -9.567 4.584 366 HD2 TYR 53 HD2 TYR 53 0.241 -8.716 4.209 367 HE1 TYR 53 HE1 TYR 53 -3.547 -10.576 6.814 368 HE2 TYR 53 HE2 TYR 53 0.646 -9.724 6.437 369 HH TYR 53 HH TYR 53 -1.768 -10.336 8.643 370 H GLU 54 HN GLU 54 -1.519 -11.998 1.866 371 HA GLU 54 HA GLU 54 -4.414 -12.438 1.221 372 1HB GLU 54 HB1 GLU 54 -1.827 -13.635 0.428 373 2HB GLU 54 HB2 GLU 54 -3.090 -14.814 0.783 374 1HG GLU 54 HG2 GLU 54 -3.588 -12.434 -1.012 375 2HG GLU 54 HG1 GLU 54 -2.958 -13.956 -1.638 376 H GLU 55 HN GLU 55 -5.563 -13.978 2.489 377 HA GLU 55 HA GLU 55 -4.451 -14.411 5.199 378 1HB GLU 55 HB2 GLU 55 -7.156 -14.855 3.885 379 2HB GLU 55 HB1 GLU 55 -6.838 -15.151 5.594 380 1HG GLU 55 HG1 GLU 55 -6.106 -12.490 4.416 381 2HG GLU 55 HG2 GLU 55 -7.794 -12.815 4.812 382 H LYS 56 HN LYS 56 -3.109 -16.207 5.253 383 HA LYS 56 HA LYS 56 -4.169 -18.739 4.038 384 1HB LYS 56 HB1 LYS 56 -2.154 -17.805 2.938 385 2HB LYS 56 HB2 LYS 56 -1.317 -17.781 4.491 386 1HG LYS 56 HG1 LYS 56 -1.195 -20.125 4.604 387 2HG LYS 56 HG2 LYS 56 -2.508 -20.342 3.447 388 1HD LYS 56 HD1 LYS 56 -1.067 -20.341 1.713 389 2HD LYS 56 HD2 LYS 56 -0.334 -18.833 2.258 390 1HE LYS 56 HE2 LYS 56 1.221 -19.980 3.665 391 2HE LYS 56 HE1 LYS 56 0.315 -21.500 3.550 392 1HZ LYS 56 HZ1 LYS 56 1.771 -20.086 1.378 393 2HZ LYS 56 HZ2 LYS 56 0.688 -21.361 1.090 394 3HZ LYS 56 HZ3 LYS 56 2.097 -21.633 1.998 Start of MODEL 16 1 H ALA 1 HT1 ALA 1 -14.761 -3.222 4.207 2 HA ALA 1 HA ALA 1 -12.630 -3.044 5.143 3 1HB ALA 1 HB1 ALA 1 -13.284 -5.292 5.225 4 2HB ALA 1 HB2 ALA 1 -11.742 -5.423 4.380 5 3HB ALA 1 HB3 ALA 1 -13.252 -5.465 3.471 6 H TYR 2 HN TYR 2 -12.651 -3.039 1.669 7 HA TYR 2 HA TYR 2 -11.032 -2.425 0.079 8 1HB TYR 2 HB2 TYR 2 -10.740 -0.936 2.531 9 2HB TYR 2 HB1 TYR 2 -9.167 -1.106 1.748 10 HD1 TYR 2 HD1 TYR 2 -11.967 0.935 1.938 11 HD2 TYR 2 HD2 TYR 2 -9.379 -0.877 -0.968 12 HE1 TYR 2 HE1 TYR 2 -12.619 2.664 0.282 13 HE2 TYR 2 HE2 TYR 2 -10.029 0.850 -2.626 14 HH TYR 2 HH TYR 2 -12.610 3.138 -1.976 15 H LEU 3 HN LEU 3 -8.972 -3.011 -0.728 16 HA LEU 3 HA LEU 3 -7.933 -5.521 0.207 17 1HB LEU 3 HB1 LEU 3 -7.434 -3.501 -1.889 18 2HB LEU 3 HB2 LEU 3 -5.998 -4.408 -1.420 19 HG LEU 3 HG LEU 3 -7.355 -6.524 -1.701 20 1HD1 LEU 3 HD21 LEU 3 -9.554 -6.425 -2.199 21 2HD1 LEU 3 HD22 LEU 3 -9.269 -5.280 -3.509 22 3HD1 LEU 3 HD23 LEU 3 -9.469 -4.698 -1.857 23 1HD2 LEU 3 HD11 LEU 3 -7.427 -6.233 -4.295 24 2HD2 LEU 3 HD12 LEU 3 -5.873 -6.091 -3.473 25 3HD2 LEU 3 HD13 LEU 3 -6.744 -4.640 -3.970 26 H LYS 4 HN LYS 4 -5.538 -5.795 0.743 27 HA LYS 4 HA LYS 4 -4.363 -3.505 2.234 28 1HB LYS 4 HB1 LYS 4 -5.609 -5.949 3.319 29 2HB LYS 4 HB2 LYS 4 -3.993 -5.637 3.955 30 1HG LYS 4 HG2 LYS 4 -4.615 -3.523 4.815 31 2HG LYS 4 HG1 LYS 4 -6.070 -3.451 3.820 32 1HD LYS 4 HD2 LYS 4 -7.282 -4.543 5.380 33 2HD LYS 4 HD1 LYS 4 -6.067 -5.814 5.519 34 1HE LYS 4 HE1 LYS 4 -5.026 -3.409 6.716 35 2HE LYS 4 HE2 LYS 4 -6.624 -3.758 7.402 36 1HZ LYS 4 HZ1 LYS 4 -4.326 -5.629 7.151 37 2HZ LYS 4 HZ2 LYS 4 -5.891 -6.111 7.606 38 3HZ LYS 4 HZ3 LYS 4 -5.010 -5.044 8.592 39 H TRP 5 HN TRP 5 -2.202 -3.435 1.784 40 HA TRP 5 HA TRP 5 -0.927 -5.884 0.613 41 1HB TRP 5 HB2 TRP 5 -0.116 -2.953 0.519 42 2HB TRP 5 HB1 TRP 5 0.598 -4.256 -0.422 43 HD1 TRP 5 HD1 TRP 5 -2.914 -2.694 0.083 44 HE1 TRP 5 HE1 TRP 5 -4.115 -2.692 -2.191 45 HE3 TRP 5 HE3 TRP 5 0.623 -5.011 -2.773 46 HZ2 TRP 5 HZ2 TRP 5 -3.639 -3.565 -4.880 47 HZ3 TRP 5 HZ3 TRP 5 0.227 -5.413 -5.184 48 HH2 TRP 5 HH2 TRP 5 -1.896 -4.694 -6.242 49 H ILE 6 HN ILE 6 1.553 -5.885 1.106 50 HA ILE 6 HA ILE 6 2.219 -4.772 3.767 51 HB ILE 6 HB ILE 6 1.182 -6.891 4.316 52 1HG1 ILE 6 HG12 ILE 6 2.993 -8.034 5.436 53 2HG1 ILE 6 HG11 ILE 6 4.173 -7.369 4.310 54 1HG2 ILE 6 HG21 ILE 6 1.900 -8.995 3.293 55 2HG2 ILE 6 HG22 ILE 6 3.096 -8.138 2.323 56 3HG2 ILE 6 HG23 ILE 6 1.375 -7.875 2.036 57 1HD1 ILE 6 HD11 ILE 6 3.501 -6.275 6.765 58 2HD1 ILE 6 HD12 ILE 6 2.570 -5.300 5.627 59 3HD1 ILE 6 HD13 ILE 6 4.320 -5.423 5.456 60 H CYS 7 HN CYS 7 4.222 -3.940 3.585 61 HA CYS 7 HA CYS 7 5.949 -4.453 1.329 62 1HB CYS 7 HB2 CYS 7 5.685 -2.386 2.865 63 2HB CYS 7 HB1 CYS 7 6.698 -3.260 4.013 64 H ILE 8 HN ILE 8 6.478 -6.706 1.292 65 HA ILE 8 HA ILE 8 7.221 -8.356 3.446 66 HB ILE 8 HB ILE 8 8.470 -9.601 1.649 67 1HG1 ILE 8 HG11 ILE 8 7.619 -7.453 -0.270 68 2HG1 ILE 8 HG12 ILE 8 9.149 -7.287 0.591 69 1HG2 ILE 8 HG21 ILE 8 6.113 -8.823 0.124 70 2HG2 ILE 8 HG22 ILE 8 5.739 -9.034 1.834 71 3HG2 ILE 8 HG23 ILE 8 6.469 -10.355 0.923 72 1HD1 ILE 8 HD11 ILE 8 8.438 -9.837 -0.859 73 2HD1 ILE 8 HD12 ILE 8 10.030 -9.266 -0.361 74 3HD1 ILE 8 HD13 ILE 8 9.195 -8.486 -1.703 75 H THR 9 HN THR 9 8.986 -5.751 1.952 76 HA THR 9 HA THR 9 11.655 -6.408 2.657 77 HB THR 9 HB THR 9 10.272 -3.702 2.570 78 HG1 THR 9 HG1 THR 9 9.837 -4.404 0.631 79 1HG2 THR 9 HG21 THR 9 12.332 -2.830 2.760 80 2HG2 THR 9 HG22 THR 9 12.892 -3.801 1.398 81 3HG2 THR 9 HG23 THR 9 12.966 -4.454 3.035 82 H CYS 10 HN CYS 10 9.168 -4.609 4.509 83 HA CYS 10 HA CYS 10 10.907 -4.944 6.934 84 1HB CYS 10 HB1 CYS 10 9.903 -2.760 7.644 85 2HB CYS 10 HB2 CYS 10 10.803 -2.629 6.135 86 H GLY 11 HN GLY 11 7.608 -4.989 5.634 87 1HA GLY 11 HA2 GLY 11 6.034 -6.646 6.553 88 2HA GLY 11 HA1 GLY 11 6.774 -6.395 8.134 89 H HIS 12 HN HIS 12 6.000 -3.740 5.963 90 HA HIS 12 HA HIS 12 4.136 -2.669 8.017 91 1HB HIS 12 HB2 HIS 12 6.089 -1.402 6.947 92 2HB HIS 12 HB1 HIS 12 5.153 -1.403 5.452 93 HD1 HIS 12 HD1 HIS 12 5.522 1.335 6.286 94 HD2 HIS 12 HD2 HIS 12 2.562 -0.978 8.092 95 HE1 HIS 12 HE1 HIS 12 3.872 2.958 7.314 96 H ILE 13 HN ILE 13 2.030 -3.309 7.733 97 HA ILE 13 HA ILE 13 1.017 -4.110 5.113 98 HB ILE 13 HB ILE 13 -0.162 -3.803 7.891 99 1HG1 ILE 13 HG12 ILE 13 0.242 -6.329 6.289 100 2HG1 ILE 13 HG11 ILE 13 1.551 -5.641 7.245 101 1HG2 ILE 13 HG21 ILE 13 -1.816 -5.482 6.358 102 2HG2 ILE 13 HG22 ILE 13 -1.521 -4.075 5.336 103 3HG2 ILE 13 HG23 ILE 13 -2.211 -3.867 6.946 104 1HD1 ILE 13 HD11 ILE 13 -0.368 -5.559 9.109 105 2HD1 ILE 13 HD12 ILE 13 0.609 -7.004 8.852 106 3HD1 ILE 13 HD13 ILE 13 -1.004 -6.894 8.148 107 H TYR 14 HN TYR 14 0.011 -2.792 3.673 108 HA TYR 14 HA TYR 14 -0.555 0.022 4.418 109 1HB TYR 14 HB2 TYR 14 0.709 -0.392 2.395 110 2HB TYR 14 HB1 TYR 14 -0.463 -1.585 1.840 111 HD1 TYR 14 HD1 TYR 14 -0.184 2.021 2.789 112 HD2 TYR 14 HD2 TYR 14 -2.207 -0.923 0.402 113 HE1 TYR 14 HE1 TYR 14 -1.452 3.820 1.646 114 HE2 TYR 14 HE2 TYR 14 -3.472 0.877 -0.742 115 HH TYR 14 HH TYR 14 -4.137 3.141 -0.424 116 H ASP 15 HN ASP 15 -2.618 0.752 4.739 117 HA ASP 15 HA ASP 15 -4.877 -1.151 4.313 118 1HB ASP 15 HB2 ASP 15 -4.287 -0.007 6.542 119 2HB ASP 15 HB1 ASP 15 -4.836 1.495 5.796 120 H GLU 16 HN GLU 16 -5.606 -0.844 2.203 121 HA GLU 16 HA GLU 16 -5.482 1.485 0.640 122 1HB GLU 16 HB2 GLU 16 -7.116 -1.006 0.788 123 2HB GLU 16 HB1 GLU 16 -7.733 0.278 -0.249 124 1HG GLU 16 HG2 GLU 16 -5.332 0.394 -1.207 125 2HG GLU 16 HG1 GLU 16 -5.095 -1.174 -0.434 126 H ALA 17 HN ALA 17 -7.724 0.674 3.230 127 HA ALA 17 HA ALA 17 -9.503 2.950 2.559 128 1HB ALA 17 HB1 ALA 17 -10.001 1.636 5.092 129 2HB ALA 17 HB2 ALA 17 -9.704 0.428 3.840 130 3HB ALA 17 HB3 ALA 17 -10.990 1.617 3.632 131 H LEU 18 HN LEU 18 -6.573 3.087 3.661 132 HA LEU 18 HA LEU 18 -6.933 5.451 5.267 133 1HB LEU 18 HB1 LEU 18 -7.606 3.280 6.665 134 2HB LEU 18 HB2 LEU 18 -5.858 3.150 6.873 135 HG LEU 18 HG LEU 18 -6.339 5.837 7.347 136 1HD1 LEU 18 HD21 LEU 18 -8.615 4.152 8.419 137 2HD1 LEU 18 HD22 LEU 18 -8.728 5.606 7.428 138 3HD1 LEU 18 HD23 LEU 18 -8.180 5.720 9.101 139 1HD2 LEU 18 HD11 LEU 18 -5.835 5.276 9.668 140 2HD2 LEU 18 HD12 LEU 18 -4.866 4.256 8.603 141 3HD2 LEU 18 HD13 LEU 18 -6.299 3.596 9.392 142 H GLY 19 HN GLY 19 -5.332 5.483 3.249 143 1HA GLY 19 HA1 GLY 19 -2.733 4.302 3.536 144 2HA GLY 19 HA2 GLY 19 -3.127 5.648 2.468 145 H ASP 20 HN ASP 20 -1.378 6.966 2.964 146 HA ASP 20 HA ASP 20 -0.776 7.593 5.796 147 1HB ASP 20 HB1 ASP 20 0.525 7.572 3.170 148 2HB ASP 20 HB2 ASP 20 0.884 9.045 4.076 149 H GLU 21 HN GLU 21 -0.250 10.024 6.163 150 HA GLU 21 HA GLU 21 -2.503 11.650 5.045 151 1HB GLU 21 HB2 GLU 21 -2.236 11.069 7.550 152 2HB GLU 21 HB1 GLU 21 -0.863 12.176 7.538 153 1HG GLU 21 HG1 GLU 21 -2.390 13.947 6.606 154 2HG GLU 21 HG2 GLU 21 -3.739 12.835 6.841 155 H ALA 22 HN ALA 22 0.980 11.609 5.688 156 HA ALA 22 HA ALA 22 1.594 14.312 5.038 157 1HB ALA 22 HB1 ALA 22 3.039 11.660 4.878 158 2HB ALA 22 HB2 ALA 22 3.248 12.947 6.064 159 3HB ALA 22 HB3 ALA 22 3.844 13.160 4.419 160 H GLU 23 HN GLU 23 1.967 11.443 2.901 161 HA GLU 23 HA GLU 23 2.413 12.916 0.507 162 1HB GLU 23 HB2 GLU 23 1.263 10.167 1.094 163 2HB GLU 23 HB1 GLU 23 1.763 10.697 -0.507 164 1HG GLU 23 HG2 GLU 23 3.954 10.396 -0.035 165 2HG GLU 23 HG1 GLU 23 3.804 11.209 1.522 166 H GLY 24 HN GLY 24 -0.501 12.337 2.297 167 1HA GLY 24 HA2 GLY 24 -2.573 13.472 1.863 168 2HA GLY 24 HA1 GLY 24 -2.041 13.757 0.205 169 H PHE 25 HN PHE 25 -1.873 10.628 1.826 170 HA PHE 25 HA PHE 25 -3.382 9.381 -0.347 171 1HB PHE 25 HB1 PHE 25 -1.532 8.729 1.786 172 2HB PHE 25 HB2 PHE 25 -2.902 7.632 1.846 173 HD1 PHE 25 HD1 PHE 25 -1.670 5.686 1.164 174 HD2 PHE 25 HD2 PHE 25 -1.682 9.208 -1.284 175 HE1 PHE 25 HE1 PHE 25 -0.695 4.383 -0.711 176 HE2 PHE 25 HE2 PHE 25 -0.703 7.912 -3.160 177 HZ PHE 25 HZ PHE 25 -0.210 5.497 -2.872 178 H THR 26 HN THR 26 -5.399 10.679 0.175 179 HA THR 26 HA THR 26 -6.898 10.570 2.525 180 HB THR 26 HB THR 26 -7.331 11.843 0.415 181 HG1 THR 26 HG1 THR 26 -9.459 11.874 0.770 182 1HG2 THR 26 HG21 THR 26 -7.214 9.310 -0.741 183 2HG2 THR 26 HG22 THR 26 -7.701 10.800 -1.550 184 3HG2 THR 26 HG23 THR 26 -8.921 9.745 -0.834 185 HA PRO 27 HA PRO 27 -8.072 6.386 3.203 186 1HB PRO 27 HB1 PRO 27 -10.826 7.369 3.757 187 2HB PRO 27 HB2 PRO 27 -9.724 6.468 4.813 188 1HG PRO 27 HG2 PRO 27 -10.248 9.075 5.172 189 2HG PRO 27 HG1 PRO 27 -8.673 8.364 5.547 190 1HD PRO 27 HD1 PRO 27 -9.479 10.079 3.255 191 2HD PRO 27 HD2 PRO 27 -7.921 9.975 4.102 192 H GLY 28 HN GLY 28 -8.519 4.953 1.580 193 1HA GLY 28 HA2 GLY 28 -10.316 3.952 0.170 194 2HA GLY 28 HA1 GLY 28 -10.782 5.595 -0.269 195 H THR 29 HN THR 29 -7.400 4.815 -0.008 196 HA THR 29 HA THR 29 -7.099 5.288 -2.925 197 HB THR 29 HB THR 29 -4.980 4.933 -0.781 198 HG1 THR 29 HG1 THR 29 -5.931 6.624 0.041 199 1HG2 THR 29 HG21 THR 29 -4.617 5.081 -3.421 200 2HG2 THR 29 HG22 THR 29 -3.517 5.883 -2.300 201 3HG2 THR 29 HG23 THR 29 -4.787 6.807 -3.102 202 H ARG 30 HN ARG 30 -6.472 3.679 -4.323 203 HA ARG 30 HA ARG 30 -5.965 0.969 -3.152 204 1HB ARG 30 HB2 ARG 30 -7.989 1.410 -4.605 205 2HB ARG 30 HB1 ARG 30 -6.889 1.780 -5.932 206 1HG ARG 30 HG1 ARG 30 -6.643 -0.411 -6.380 207 2HG ARG 30 HG2 ARG 30 -6.106 -0.713 -4.727 208 1HD ARG 30 HD2 ARG 30 -8.049 -2.022 -4.806 209 2HD ARG 30 HD1 ARG 30 -8.716 -0.490 -4.210 210 HE ARG 30 HE ARG 30 -9.743 -0.186 -6.322 211 1HH1 ARG 30 HH11 ARG 30 -7.219 -2.575 -6.504 212 2HH1 ARG 30 HH12 ARG 30 -7.588 -3.001 -8.139 213 1HH2 ARG 30 HH21 ARG 30 -10.204 -0.757 -8.444 214 2HH2 ARG 30 HH22 ARG 30 -9.266 -1.981 -9.230 215 H PHE 31 HN PHE 31 -4.056 -0.085 -3.689 216 HA PHE 31 HA PHE 31 -1.746 1.247 -4.537 217 1HB PHE 31 HB1 PHE 31 -2.596 -1.356 -3.861 218 2HB PHE 31 HB2 PHE 31 -1.819 -1.521 -5.434 219 HD1 PHE 31 HD1 PHE 31 -1.206 0.611 -2.401 220 HD2 PHE 31 HD2 PHE 31 0.403 -2.177 -5.244 221 HE1 PHE 31 HE1 PHE 31 1.018 0.788 -1.317 222 HE2 PHE 31 HE2 PHE 31 2.626 -2.001 -4.160 223 HZ PHE 31 HZ PHE 31 2.933 -0.520 -2.195 224 H GLU 32 HN GLU 32 -4.275 -0.223 -6.524 225 HA GLU 32 HA GLU 32 -2.903 -0.297 -9.022 226 1HB GLU 32 HB1 GLU 32 -5.056 -1.375 -8.536 227 2HB GLU 32 HB2 GLU 32 -5.818 0.202 -8.327 228 1HG GLU 32 HG1 GLU 32 -6.369 -0.179 -10.537 229 2HG GLU 32 HG2 GLU 32 -4.796 0.583 -10.775 230 H ASP 33 HN ASP 33 -5.132 2.221 -7.763 231 HA ASP 33 HA ASP 33 -4.688 4.097 -9.873 232 1HB ASP 33 HB2 ASP 33 -6.045 3.880 -7.329 233 2HB ASP 33 HB1 ASP 33 -5.254 5.452 -7.434 234 H ILE 34 HN ILE 34 -2.883 3.383 -6.935 235 HA ILE 34 HA ILE 34 -1.307 5.790 -6.843 236 HB ILE 34 HB ILE 34 -0.901 2.944 -5.863 237 1HG1 ILE 34 HG12 ILE 34 -1.650 5.405 -4.285 238 2HG1 ILE 34 HG11 ILE 34 -2.868 4.387 -5.051 239 1HG2 ILE 34 HG21 ILE 34 0.833 3.807 -4.404 240 2HG2 ILE 34 HG22 ILE 34 0.554 5.452 -4.977 241 3HG2 ILE 34 HG23 ILE 34 1.246 4.246 -6.062 242 1HD1 ILE 34 HD11 ILE 34 -1.861 3.970 -2.534 243 2HD1 ILE 34 HD12 ILE 34 -0.843 2.904 -3.502 244 3HD1 ILE 34 HD13 ILE 34 -2.596 2.716 -3.533 245 HA PRO 35 HA PRO 35 0.995 4.646 -10.564 246 1HB PRO 35 HB1 PRO 35 2.415 7.189 -10.080 247 2HB PRO 35 HB2 PRO 35 1.451 6.699 -11.482 248 1HG PRO 35 HG1 PRO 35 0.626 8.559 -9.709 249 2HG PRO 35 HG2 PRO 35 -0.488 7.504 -10.591 250 1HD PRO 35 HD2 PRO 35 0.424 7.353 -7.756 251 2HD PRO 35 HD1 PRO 35 -1.163 6.974 -8.459 252 H ASP 36 HN ASP 36 3.705 5.694 -10.689 253 HA ASP 36 HA ASP 36 4.986 3.835 -8.770 254 1HB ASP 36 HB2 ASP 36 5.522 3.760 -11.173 255 2HB ASP 36 HB1 ASP 36 5.998 5.457 -11.135 256 H ASP 37 HN ASP 37 4.361 7.205 -9.038 257 HA ASP 37 HA ASP 37 6.702 8.352 -7.900 258 1HB ASP 37 HB2 ASP 37 3.839 8.991 -8.298 259 2HB ASP 37 HB1 ASP 37 4.603 9.873 -6.976 260 H TRP 38 HN TRP 38 3.688 7.289 -6.271 261 HA TRP 38 HA TRP 38 4.467 7.809 -3.606 262 1HB TRP 38 HB1 TRP 38 2.200 7.218 -4.337 263 2HB TRP 38 HB2 TRP 38 2.749 5.616 -4.826 264 HD1 TRP 38 HD1 TRP 38 2.010 7.727 -1.732 265 HE1 TRP 38 HE1 TRP 38 1.843 6.166 0.314 266 HE3 TRP 38 HE3 TRP 38 3.510 3.331 -3.851 267 HZ2 TRP 38 HZ2 TRP 38 2.286 3.415 0.964 268 HZ3 TRP 38 HZ3 TRP 38 3.630 1.261 -2.500 269 HH2 TRP 38 HH2 TRP 38 3.020 1.294 -0.096 270 H CYS 39 HN CYS 39 4.973 6.050 -1.947 271 HA CYS 39 HA CYS 39 6.350 3.636 -2.833 272 1HB CYS 39 HB2 CYS 39 8.598 4.439 -2.073 273 2HB CYS 39 HB1 CYS 39 7.988 5.367 -3.435 274 HG CYS 39 HG CYS 39 8.123 7.382 -2.014 275 H CYS 40 HN CYS 40 8.043 3.336 -0.605 276 HA CYS 40 HA CYS 40 6.049 2.856 1.516 277 1HB CYS 40 HB1 CYS 40 8.163 1.472 0.536 278 2HB CYS 40 HB2 CYS 40 8.957 2.307 1.872 279 HA PRO 41 HA PRO 41 7.343 6.453 3.740 280 1HB PRO 41 HB2 PRO 41 6.056 5.964 6.099 281 2HB PRO 41 HB1 PRO 41 5.190 6.432 4.625 282 1HG PRO 41 HG1 PRO 41 5.471 3.766 5.898 283 2HG PRO 41 HG2 PRO 41 4.107 4.455 5.010 284 1HD PRO 41 HD1 PRO 41 5.950 2.637 3.993 285 2HD PRO 41 HD2 PRO 41 4.873 3.664 3.026 286 H ASP 42 HN ASP 42 8.710 3.517 4.167 287 HA ASP 42 HA ASP 42 10.535 4.536 6.269 288 1HB ASP 42 HB1 ASP 42 10.176 2.499 7.628 289 2HB ASP 42 HB2 ASP 42 8.658 3.369 7.412 290 H CYS 43 HN CYS 43 10.443 3.482 3.294 291 HA CYS 43 HA CYS 43 12.979 1.941 3.560 292 1HB CYS 43 HB1 CYS 43 10.409 1.087 2.202 293 2HB CYS 43 HB2 CYS 43 11.961 0.370 1.777 294 H GLY 44 HN GLY 44 10.765 2.611 0.833 295 1HA GLY 44 HA2 GLY 44 11.293 4.624 -0.607 296 2HA GLY 44 HA1 GLY 44 12.988 4.178 -0.415 297 H ALA 45 HN ALA 45 10.308 1.920 -0.944 298 HA ALA 45 HA ALA 45 11.550 1.237 -3.591 299 1HB ALA 45 HB1 ALA 45 11.998 -0.559 -2.122 300 2HB ALA 45 HB2 ALA 45 10.516 -1.081 -2.923 301 3HB ALA 45 HB3 ALA 45 10.446 -0.392 -1.301 302 H THR 46 HN THR 46 9.847 -0.103 -4.933 303 HA THR 46 HA THR 46 7.319 1.484 -4.964 304 HB THR 46 HB THR 46 7.211 0.712 -7.290 305 HG1 THR 46 HG1 THR 46 8.611 -0.808 -8.045 306 1HG2 THR 46 HG21 THR 46 8.699 2.611 -6.854 307 2HG2 THR 46 HG22 THR 46 9.376 1.595 -8.128 308 3HG2 THR 46 HG23 THR 46 10.026 1.508 -6.491 309 H LYS 47 HN LYS 47 5.723 -0.347 -6.369 310 HA LYS 47 HA LYS 47 4.579 -1.957 -4.345 311 1HB LYS 47 HB2 LYS 47 3.464 -1.294 -6.437 312 2HB LYS 47 HB1 LYS 47 4.616 -2.242 -7.377 313 1HG LYS 47 HG2 LYS 47 3.702 -4.144 -5.655 314 2HG LYS 47 HG1 LYS 47 2.267 -3.131 -5.804 315 1HD LYS 47 HD1 LYS 47 2.250 -3.371 -8.198 316 2HD LYS 47 HD2 LYS 47 3.839 -4.136 -8.191 317 1HE LYS 47 HE2 LYS 47 3.005 -6.160 -7.364 318 2HE LYS 47 HE1 LYS 47 1.590 -5.388 -6.625 319 1HZ LYS 47 HZ1 LYS 47 0.730 -4.889 -8.803 320 2HZ LYS 47 HZ2 LYS 47 1.057 -6.553 -8.726 321 3HZ LYS 47 HZ3 LYS 47 2.119 -5.515 -9.551 322 H GLU 48 HN GLU 48 7.380 -2.517 -6.356 323 HA GLU 48 HA GLU 48 7.562 -5.329 -6.404 324 1HB GLU 48 HB2 GLU 48 10.021 -4.858 -6.495 325 2HB GLU 48 HB1 GLU 48 9.099 -3.774 -7.536 326 1HG GLU 48 HG2 GLU 48 10.245 -2.127 -6.468 327 2HG GLU 48 HG1 GLU 48 9.087 -2.394 -5.167 328 H ASP 49 HN ASP 49 7.986 -3.096 -3.735 329 HA ASP 49 HA ASP 49 9.088 -5.196 -1.951 330 1HB ASP 49 HB1 ASP 49 8.716 -2.239 -2.009 331 2HB ASP 49 HB2 ASP 49 8.660 -2.992 -0.416 332 H TYR 50 HN TYR 50 6.060 -3.669 -2.771 333 HA TYR 50 HA TYR 50 4.724 -4.650 -0.310 334 1HB TYR 50 HB1 TYR 50 4.255 -2.712 -2.532 335 2HB TYR 50 HB2 TYR 50 2.825 -3.437 -1.808 336 HD1 TYR 50 HD1 TYR 50 2.636 -3.390 0.767 337 HD2 TYR 50 HD2 TYR 50 5.353 -0.932 -1.471 338 HE1 TYR 50 HE1 TYR 50 2.840 -1.853 2.705 339 HE2 TYR 50 HE2 TYR 50 5.559 0.607 0.466 340 HH TYR 50 HH TYR 50 4.238 -0.187 3.589 341 H VAL 51 HN VAL 51 3.331 -6.389 -0.340 342 HA VAL 51 HA VAL 51 2.683 -7.612 -2.986 343 HB VAL 51 HB VAL 51 4.445 -8.850 -1.831 344 1HG1 VAL 51 HG11 VAL 51 2.425 -8.765 0.397 345 2HG1 VAL 51 HG12 VAL 51 4.070 -8.142 0.408 346 3HG1 VAL 51 HG13 VAL 51 3.789 -9.883 0.395 347 1HG2 VAL 51 HG21 VAL 51 2.939 -10.254 -3.066 348 2HG2 VAL 51 HG22 VAL 51 1.696 -10.123 -1.822 349 3HG2 VAL 51 HG23 VAL 51 3.170 -11.037 -1.502 350 H LEU 52 HN LEU 52 0.566 -8.535 -3.141 351 HA LEU 52 HA LEU 52 -1.487 -7.303 -1.573 352 1HB LEU 52 HB2 LEU 52 -1.350 -8.470 -3.950 353 2HB LEU 52 HB1 LEU 52 -1.872 -9.881 -3.033 354 HG LEU 52 HG LEU 52 -3.302 -7.329 -2.488 355 1HD1 LEU 52 HD21 LEU 52 -3.781 -8.942 -5.008 356 2HD1 LEU 52 HD22 LEU 52 -3.045 -7.339 -4.957 357 3HD1 LEU 52 HD23 LEU 52 -4.723 -7.555 -4.459 358 1HD2 LEU 52 HD11 LEU 52 -3.615 -10.074 -1.956 359 2HD2 LEU 52 HD12 LEU 52 -4.900 -9.661 -3.092 360 3HD2 LEU 52 HD13 LEU 52 -4.748 -8.780 -1.571 361 H TYR 53 HN TYR 53 -1.859 -7.772 0.549 362 HA TYR 53 HA TYR 53 -0.931 -10.179 1.849 363 1HB TYR 53 HB2 TYR 53 -1.416 -7.784 2.738 364 2HB TYR 53 HB1 TYR 53 -3.097 -8.306 2.826 365 HD1 TYR 53 HD1 TYR 53 -3.758 -10.178 4.320 366 HD2 TYR 53 HD2 TYR 53 0.249 -8.639 4.257 367 HE1 TYR 53 HE1 TYR 53 -3.285 -11.320 6.471 368 HE2 TYR 53 HE2 TYR 53 0.725 -9.778 6.405 369 HH TYR 53 HH TYR 53 -1.267 -10.679 8.485 370 H GLU 54 HN GLU 54 -1.890 -12.155 1.592 371 HA GLU 54 HA GLU 54 -4.667 -12.377 0.638 372 1HB GLU 54 HB2 GLU 54 -2.222 -13.941 0.770 373 2HB GLU 54 HB1 GLU 54 -3.589 -14.893 1.350 374 1HG GLU 54 HG1 GLU 54 -3.946 -15.293 -0.864 375 2HG GLU 54 HG2 GLU 54 -4.685 -13.692 -0.846 376 H GLU 55 HN GLU 55 -6.256 -12.129 2.172 377 HA GLU 55 HA GLU 55 -5.772 -13.259 4.906 378 1HB GLU 55 HB2 GLU 55 -6.388 -10.738 4.202 379 2HB GLU 55 HB1 GLU 55 -8.023 -11.395 4.254 380 1HG GLU 55 HG2 GLU 55 -7.060 -12.421 6.560 381 2HG GLU 55 HG1 GLU 55 -6.084 -10.955 6.466 382 H LYS 56 HN LYS 56 -7.117 -14.896 5.612 383 HA LYS 56 HA LYS 56 -8.727 -16.415 3.844 384 1HB LYS 56 HB1 LYS 56 -7.690 -16.859 6.213 385 2HB LYS 56 HB2 LYS 56 -9.219 -16.218 6.817 386 1HG LYS 56 HG2 LYS 56 -10.476 -17.927 5.699 387 2HG LYS 56 HG1 LYS 56 -9.070 -18.441 4.767 388 1HD LYS 56 HD1 LYS 56 -9.124 -18.548 7.787 389 2HD LYS 56 HD2 LYS 56 -9.681 -19.892 6.790 390 1HE LYS 56 HE1 LYS 56 -7.331 -19.519 5.582 391 2HE LYS 56 HE2 LYS 56 -6.902 -18.833 7.161 392 1HZ LYS 56 HZ1 LYS 56 -8.216 -21.470 6.729 393 2HZ LYS 56 HZ2 LYS 56 -7.758 -20.816 8.229 394 3HZ LYS 56 HZ3 LYS 56 -6.572 -21.254 7.094 Start of MODEL 17 1 H ALA 1 HT1 ALA 1 -14.679 -4.802 -2.281 2 HA ALA 1 HA ALA 1 -13.723 -3.081 -3.840 3 1HB ALA 1 HB1 ALA 1 -14.028 -2.092 -1.011 4 2HB ALA 1 HB2 ALA 1 -15.366 -2.959 -1.766 5 3HB ALA 1 HB3 ALA 1 -14.761 -1.468 -2.487 6 H TYR 2 HN TYR 2 -12.245 -3.010 -0.566 7 HA TYR 2 HA TYR 2 -9.836 -1.715 -1.783 8 1HB TYR 2 HB2 TYR 2 -11.066 -1.810 0.989 9 2HB TYR 2 HB1 TYR 2 -9.466 -1.129 0.691 10 HD1 TYR 2 HD1 TYR 2 -9.479 0.456 -1.560 11 HD2 TYR 2 HD2 TYR 2 -12.790 -0.255 1.083 12 HE1 TYR 2 HE1 TYR 2 -10.520 2.583 -2.293 13 HE2 TYR 2 HE2 TYR 2 -13.832 1.873 0.350 14 HH TYR 2 HH TYR 2 -13.156 4.001 -0.648 15 H LEU 3 HN LEU 3 -7.819 -2.656 -1.512 16 HA LEU 3 HA LEU 3 -7.798 -5.407 -0.325 17 1HB LEU 3 HB1 LEU 3 -6.625 -4.045 -2.680 18 2HB LEU 3 HB2 LEU 3 -5.527 -5.145 -1.847 19 HG LEU 3 HG LEU 3 -7.482 -6.829 -1.900 20 1HD1 LEU 3 HD21 LEU 3 -9.267 -6.454 -3.355 21 2HD1 LEU 3 HD22 LEU 3 -8.378 -5.256 -4.297 22 3HD1 LEU 3 HD23 LEU 3 -9.009 -4.835 -2.704 23 1HD2 LEU 3 HD11 LEU 3 -6.814 -6.571 -4.701 24 2HD2 LEU 3 HD12 LEU 3 -6.241 -7.760 -3.532 25 3HD2 LEU 3 HD13 LEU 3 -5.401 -6.220 -3.707 26 H LYS 4 HN LYS 4 -5.556 -6.007 0.575 27 HA LYS 4 HA LYS 4 -4.330 -3.659 1.987 28 1HB LYS 4 HB1 LYS 4 -5.120 -6.426 2.952 29 2HB LYS 4 HB2 LYS 4 -4.066 -5.363 3.884 30 1HG LYS 4 HG2 LYS 4 -6.016 -4.584 4.766 31 2HG LYS 4 HG1 LYS 4 -6.124 -3.666 3.264 32 1HD LYS 4 HD2 LYS 4 -7.631 -5.184 2.298 33 2HD LYS 4 HD1 LYS 4 -7.166 -6.488 3.390 34 1HE LYS 4 HE2 LYS 4 -8.115 -4.415 5.059 35 2HE LYS 4 HE1 LYS 4 -9.272 -4.530 3.720 36 1HZ LYS 4 HZ1 LYS 4 -8.184 -6.927 5.086 37 2HZ LYS 4 HZ2 LYS 4 -9.545 -6.824 4.075 38 3HZ LYS 4 HZ3 LYS 4 -9.591 -6.150 5.634 39 H TRP 5 HN TRP 5 -2.176 -3.502 1.514 40 HA TRP 5 HA TRP 5 -0.768 -5.884 0.394 41 1HB TRP 5 HB2 TRP 5 0.048 -2.957 0.544 42 2HB TRP 5 HB1 TRP 5 0.799 -4.203 -0.450 43 HD1 TRP 5 HD1 TRP 5 -2.596 -2.413 -0.057 44 HE1 TRP 5 HE1 TRP 5 -3.729 -2.327 -2.368 45 HE3 TRP 5 HE3 TRP 5 0.772 -5.108 -2.788 46 HZ2 TRP 5 HZ2 TRP 5 -3.272 -3.282 -5.029 47 HZ3 TRP 5 HZ3 TRP 5 0.400 -5.506 -5.205 48 HH2 TRP 5 HH2 TRP 5 -1.615 -4.598 -6.328 49 H ILE 6 HN ILE 6 1.646 -5.958 1.086 50 HA ILE 6 HA ILE 6 2.115 -5.014 3.859 51 HB ILE 6 HB ILE 6 1.074 -7.184 4.168 52 1HG1 ILE 6 HG12 ILE 6 2.820 -8.429 5.282 53 2HG1 ILE 6 HG11 ILE 6 4.064 -7.660 4.301 54 1HG2 ILE 6 HG21 ILE 6 1.467 -7.921 1.789 55 2HG2 ILE 6 HG22 ILE 6 1.794 -9.175 2.986 56 3HG2 ILE 6 HG23 ILE 6 3.130 -8.300 2.240 57 1HD1 ILE 6 HD11 ILE 6 2.446 -5.660 5.631 58 2HD1 ILE 6 HD12 ILE 6 4.187 -5.911 5.718 59 3HD1 ILE 6 HD13 ILE 6 3.112 -6.793 6.804 60 H CYS 7 HN CYS 7 4.170 -4.230 3.946 61 HA CYS 7 HA CYS 7 6.038 -4.580 1.751 62 1HB CYS 7 HB2 CYS 7 5.684 -2.600 3.371 63 2HB CYS 7 HB1 CYS 7 6.596 -3.549 4.546 64 H ILE 8 HN ILE 8 6.401 -6.922 1.705 65 HA ILE 8 HA ILE 8 7.090 -8.613 3.829 66 HB ILE 8 HB ILE 8 8.230 -9.924 2.080 67 1HG1 ILE 8 HG11 ILE 8 8.046 -7.379 0.437 68 2HG1 ILE 8 HG12 ILE 8 9.531 -8.063 1.097 69 1HG2 ILE 8 HG21 ILE 8 5.615 -9.212 2.071 70 2HG2 ILE 8 HG22 ILE 8 6.312 -10.327 0.896 71 3HG2 ILE 8 HG23 ILE 8 6.093 -8.628 0.478 72 1HD1 ILE 8 HD11 ILE 8 7.811 -9.063 -1.143 73 2HD1 ILE 8 HD12 ILE 8 8.705 -10.236 -0.175 74 3HD1 ILE 8 HD13 ILE 8 9.569 -8.966 -1.042 75 H THR 9 HN THR 9 8.964 -6.070 2.348 76 HA THR 9 HA THR 9 11.549 -6.848 3.427 77 HB THR 9 HB THR 9 10.336 -4.312 2.273 78 HG1 THR 9 HG1 THR 9 12.255 -6.072 1.177 79 1HG2 THR 9 HG21 THR 9 12.884 -3.802 1.920 80 2HG2 THR 9 HG22 THR 9 13.104 -4.900 3.283 81 3HG2 THR 9 HG23 THR 9 12.137 -3.438 3.476 82 H CYS 10 HN CYS 10 8.822 -4.917 4.552 83 HA CYS 10 HA CYS 10 10.389 -4.146 6.984 84 1HB CYS 10 HB2 CYS 10 8.270 -2.928 5.312 85 2HB CYS 10 HB1 CYS 10 8.197 -2.580 7.034 86 H GLY 11 HN GLY 11 7.053 -4.994 6.009 87 1HA GLY 11 HA2 GLY 11 5.966 -6.939 7.139 88 2HA GLY 11 HA1 GLY 11 6.771 -6.426 8.622 89 H HIS 12 HN HIS 12 5.532 -3.923 6.576 90 HA HIS 12 HA HIS 12 3.390 -3.383 8.591 91 1HB HIS 12 HB1 HIS 12 5.147 -1.803 6.745 92 2HB HIS 12 HB2 HIS 12 3.572 -1.124 7.156 93 HD1 HIS 12 HD1 HIS 12 6.546 -2.666 8.995 94 HD2 HIS 12 HD2 HIS 12 3.608 0.237 9.555 95 HE1 HIS 12 HE1 HIS 12 7.034 -1.576 11.228 96 H ILE 13 HN ILE 13 1.256 -3.405 7.954 97 HA ILE 13 HA ILE 13 0.677 -4.274 5.183 98 HB ILE 13 HB ILE 13 -0.791 -4.167 7.827 99 1HG1 ILE 13 HG11 ILE 13 -0.832 -6.626 6.257 100 2HG1 ILE 13 HG12 ILE 13 0.810 -6.062 6.556 101 1HG2 ILE 13 HG21 ILE 13 -2.478 -3.533 6.175 102 2HG2 ILE 13 HG22 ILE 13 -2.745 -5.207 6.661 103 3HG2 ILE 13 HG23 ILE 13 -1.975 -4.849 5.115 104 1HD1 ILE 13 HD11 ILE 13 -1.322 -6.397 8.686 105 2HD1 ILE 13 HD12 ILE 13 0.359 -5.935 8.958 106 3HD1 ILE 13 HD13 ILE 13 -0.026 -7.552 8.371 107 H TYR 14 HN TYR 14 -0.159 -2.899 3.675 108 HA TYR 14 HA TYR 14 -0.933 -0.146 4.516 109 1HB TYR 14 HB2 TYR 14 0.736 -0.360 2.749 110 2HB TYR 14 HB1 TYR 14 -0.298 -1.472 1.851 111 HD1 TYR 14 HD1 TYR 14 -1.883 -0.648 0.298 112 HD2 TYR 14 HD2 TYR 14 -0.151 2.012 3.193 113 HE1 TYR 14 HE1 TYR 14 -2.973 1.279 -0.819 114 HE2 TYR 14 HE2 TYR 14 -1.240 3.942 2.079 115 HH TYR 14 HH TYR 14 -3.735 3.643 -0.069 116 H ASP 15 HN ASP 15 -3.067 0.480 4.439 117 HA ASP 15 HA ASP 15 -5.026 -1.482 3.302 118 1HB ASP 15 HB1 ASP 15 -5.428 0.696 5.384 119 2HB ASP 15 HB2 ASP 15 -6.551 -0.602 4.984 120 H GLU 16 HN GLU 16 -5.635 -0.785 1.296 121 HA GLU 16 HA GLU 16 -5.399 1.751 0.157 122 1HB GLU 16 HB1 GLU 16 -7.495 -0.418 -0.211 123 2HB GLU 16 HB2 GLU 16 -7.239 0.902 -1.350 124 1HG GLU 16 HG1 GLU 16 -4.784 0.145 -1.422 125 2HG GLU 16 HG2 GLU 16 -5.332 -1.324 -0.614 126 H ALA 17 HN ALA 17 -7.771 0.673 2.501 127 HA ALA 17 HA ALA 17 -9.633 2.885 1.970 128 1HB ALA 17 HB1 ALA 17 -10.131 0.509 2.823 129 2HB ALA 17 HB2 ALA 17 -10.918 1.826 3.692 130 3HB ALA 17 HB3 ALA 17 -9.490 1.048 4.375 131 H LEU 18 HN LEU 18 -6.629 2.979 3.233 132 HA LEU 18 HA LEU 18 -7.006 5.475 4.615 133 1HB LEU 18 HB1 LEU 18 -7.913 3.442 6.103 134 2HB LEU 18 HB2 LEU 18 -6.201 3.277 6.496 135 HG LEU 18 HG LEU 18 -7.325 4.755 8.115 136 1HD1 LEU 18 HD21 LEU 18 -5.749 6.558 8.030 137 2HD1 LEU 18 HD22 LEU 18 -5.599 6.430 6.277 138 3HD1 LEU 18 HD23 LEU 18 -4.939 5.165 7.315 139 1HD2 LEU 18 HD11 LEU 18 -7.729 6.911 6.127 140 2HD2 LEU 18 HD12 LEU 18 -8.717 6.461 7.517 141 3HD2 LEU 18 HD13 LEU 18 -8.855 5.559 6.008 142 H GLY 19 HN GLY 19 -5.228 5.350 2.796 143 1HA GLY 19 HA1 GLY 19 -2.758 4.012 3.350 144 2HA GLY 19 HA2 GLY 19 -2.951 5.346 2.213 145 H ASP 20 HN ASP 20 -1.265 6.664 2.792 146 HA ASP 20 HA ASP 20 -0.829 7.278 5.669 147 1HB ASP 20 HB1 ASP 20 0.695 7.185 3.134 148 2HB ASP 20 HB2 ASP 20 1.132 8.530 4.190 149 H GLU 21 HN GLU 21 -0.167 9.662 6.056 150 HA GLU 21 HA GLU 21 -2.208 11.419 4.763 151 1HB GLU 21 HB2 GLU 21 -2.148 11.015 7.258 152 2HB GLU 21 HB1 GLU 21 -0.564 11.791 7.294 153 1HG GLU 21 HG2 GLU 21 -1.517 13.831 7.295 154 2HG GLU 21 HG1 GLU 21 -2.425 13.445 5.833 155 H ALA 22 HN ALA 22 1.251 11.100 5.414 156 HA ALA 22 HA ALA 22 2.000 13.754 4.537 157 1HB ALA 22 HB1 ALA 22 4.129 12.968 5.031 158 2HB ALA 22 HB2 ALA 22 3.827 11.395 4.293 159 3HB ALA 22 HB3 ALA 22 3.184 11.755 5.896 160 H GLU 23 HN GLU 23 2.152 10.545 2.944 161 HA GLU 23 HA GLU 23 3.104 11.436 0.419 162 1HB GLU 23 HB2 GLU 23 1.274 9.138 1.212 163 2HB GLU 23 HB1 GLU 23 2.175 9.237 -0.296 164 1HG GLU 23 HG1 GLU 23 3.738 9.611 2.204 165 2HG GLU 23 HG2 GLU 23 3.142 7.982 1.882 166 H GLY 24 HN GLY 24 -0.015 11.773 1.905 167 1HA GLY 24 HA2 GLY 24 -1.728 13.228 1.039 168 2HA GLY 24 HA1 GLY 24 -1.026 13.053 -0.570 169 H PHE 25 HN PHE 25 -1.461 10.199 1.370 170 HA PHE 25 HA PHE 25 -3.312 9.094 -0.617 171 1HB PHE 25 HB2 PHE 25 -1.640 8.220 1.694 172 2HB PHE 25 HB1 PHE 25 -3.065 7.250 1.374 173 HD1 PHE 25 HD1 PHE 25 -1.371 5.435 0.951 174 HD2 PHE 25 HD2 PHE 25 -1.686 8.885 -1.581 175 HE1 PHE 25 HE1 PHE 25 -0.165 4.225 -0.840 176 HE2 PHE 25 HE2 PHE 25 -0.480 7.674 -3.375 177 HZ PHE 25 HZ PHE 25 0.282 5.344 -3.001 178 H THR 26 HN THR 26 -5.055 10.711 -0.090 179 HA THR 26 HA THR 26 -6.368 10.914 2.405 180 HB THR 26 HB THR 26 -6.626 12.311 0.341 181 HG1 THR 26 HG1 THR 26 -8.390 12.873 1.290 182 1HG2 THR 26 HG21 THR 26 -8.222 11.476 -1.393 183 2HG2 THR 26 HG22 THR 26 -8.205 9.903 -0.595 184 3HG2 THR 26 HG23 THR 26 -6.728 10.541 -1.318 185 HA PRO 27 HA PRO 27 -8.436 7.110 3.143 186 1HB PRO 27 HB2 PRO 27 -10.974 8.654 3.436 187 2HB PRO 27 HB1 PRO 27 -10.189 7.556 4.585 188 1HG PRO 27 HG2 PRO 27 -10.150 10.217 4.900 189 2HG PRO 27 HG1 PRO 27 -8.800 9.187 5.395 190 1HD PRO 27 HD2 PRO 27 -9.032 11.015 3.069 191 2HD PRO 27 HD1 PRO 27 -7.598 10.549 4.006 192 H GLY 28 HN GLY 28 -8.750 5.860 1.338 193 1HA GLY 28 HA2 GLY 28 -10.597 5.027 -0.156 194 2HA GLY 28 HA1 GLY 28 -10.881 6.715 -0.583 195 H THR 29 HN THR 29 -7.691 5.252 -0.178 196 HA THR 29 HA THR 29 -7.209 5.715 -3.104 197 HB THR 29 HB THR 29 -5.265 5.774 -0.765 198 HG1 THR 29 HG1 THR 29 -6.574 7.491 -0.486 199 1HG2 THR 29 HG21 THR 29 -4.917 5.729 -3.598 200 2HG2 THR 29 HG22 THR 29 -3.681 5.916 -2.354 201 3HG2 THR 29 HG23 THR 29 -4.478 7.339 -3.027 202 H ARG 30 HN ARG 30 -6.896 3.828 -4.203 203 HA ARG 30 HA ARG 30 -5.922 1.442 -2.680 204 1HB ARG 30 HB1 ARG 30 -7.051 0.178 -4.471 205 2HB ARG 30 HB2 ARG 30 -8.162 1.358 -3.777 206 1HG ARG 30 HG2 ARG 30 -6.863 2.761 -5.815 207 2HG ARG 30 HG1 ARG 30 -7.146 1.162 -6.501 208 1HD ARG 30 HD1 ARG 30 -9.395 2.443 -4.990 209 2HD ARG 30 HD2 ARG 30 -9.038 3.034 -6.624 210 HE ARG 30 HE ARG 30 -8.994 0.162 -6.606 211 1HH1 ARG 30 HH12 ARG 30 -11.179 2.865 -6.425 212 2HH1 ARG 30 HH11 ARG 30 -12.498 1.986 -7.113 213 1HH2 ARG 30 HH21 ARG 30 -10.722 -0.960 -7.497 214 2HH2 ARG 30 HH22 ARG 30 -12.245 -0.163 -7.717 215 H PHE 31 HN PHE 31 -4.225 0.177 -3.604 216 HA PHE 31 HA PHE 31 -2.007 1.437 -4.711 217 1HB PHE 31 HB1 PHE 31 -2.984 -1.210 -4.174 218 2HB PHE 31 HB2 PHE 31 -2.189 -1.232 -5.749 219 HD1 PHE 31 HD1 PHE 31 -1.497 0.797 -2.676 220 HD2 PHE 31 HD2 PHE 31 -0.063 -2.166 -5.434 221 HE1 PHE 31 HE1 PHE 31 0.714 0.823 -1.555 222 HE2 PHE 31 HE2 PHE 31 2.148 -2.141 -4.314 223 HZ PHE 31 HZ PHE 31 2.537 -0.647 -2.374 224 H GLU 32 HN GLU 32 -4.642 -0.180 -6.511 225 HA GLU 32 HA GLU 32 -3.549 0.071 -9.119 226 1HB GLU 32 HB1 GLU 32 -5.475 -1.315 -8.479 227 2HB GLU 32 HB2 GLU 32 -6.421 0.131 -8.131 228 1HG GLU 32 HG2 GLU 32 -7.128 -0.209 -10.293 229 2HG GLU 32 HG1 GLU 32 -5.666 0.709 -10.653 230 H ASP 33 HN ASP 33 -5.634 2.315 -7.281 231 HA ASP 33 HA ASP 33 -5.742 4.269 -9.447 232 1HB ASP 33 HB1 ASP 33 -7.436 3.791 -7.573 233 2HB ASP 33 HB2 ASP 33 -6.336 4.653 -6.499 234 H ILE 34 HN ILE 34 -3.649 3.643 -6.713 235 HA ILE 34 HA ILE 34 -2.500 6.241 -6.383 236 HB ILE 34 HB ILE 34 -1.580 3.390 -5.915 237 1HG1 ILE 34 HG12 ILE 34 -2.296 5.567 -3.944 238 2HG1 ILE 34 HG11 ILE 34 -3.488 4.448 -4.600 239 1HG2 ILE 34 HG21 ILE 34 -0.200 5.912 -4.941 240 2HG2 ILE 34 HG22 ILE 34 0.404 4.897 -6.250 241 3HG2 ILE 34 HG23 ILE 34 0.289 4.249 -4.615 242 1HD1 ILE 34 HD11 ILE 34 -1.013 3.208 -3.539 243 2HD1 ILE 34 HD12 ILE 34 -2.689 2.683 -3.386 244 3HD1 ILE 34 HD13 ILE 34 -2.066 3.956 -2.339 245 HA PRO 35 HA PRO 35 -0.441 6.140 -10.419 246 1HB PRO 35 HB2 PRO 35 0.537 8.722 -10.215 247 2HB PRO 35 HB1 PRO 35 -1.084 8.328 -10.815 248 1HG PRO 35 HG2 PRO 35 -0.234 9.296 -8.135 249 2HG PRO 35 HG1 PRO 35 -1.687 9.684 -9.066 250 1HD PRO 35 HD1 PRO 35 -1.671 7.955 -6.964 251 2HD PRO 35 HD2 PRO 35 -2.810 7.831 -8.320 252 H ASP 36 HN ASP 36 1.992 7.145 -10.875 253 HA ASP 36 HA ASP 36 3.765 5.604 -9.205 254 1HB ASP 36 HB1 ASP 36 5.475 6.667 -10.657 255 2HB ASP 36 HB2 ASP 36 4.095 6.125 -11.611 256 H ASP 37 HN ASP 37 5.950 7.441 -8.947 257 HA ASP 37 HA ASP 37 6.841 9.058 -7.487 258 1HB ASP 37 HB2 ASP 37 4.815 10.257 -8.708 259 2HB ASP 37 HB1 ASP 37 4.080 10.177 -7.108 260 H TRP 38 HN TRP 38 4.950 6.595 -6.526 261 HA TRP 38 HA TRP 38 4.806 7.500 -3.677 262 1HB TRP 38 HB1 TRP 38 2.719 6.748 -4.775 263 2HB TRP 38 HB2 TRP 38 3.483 5.211 -5.177 264 HD1 TRP 38 HD1 TRP 38 2.488 7.293 -2.084 265 HE1 TRP 38 HE1 TRP 38 2.069 5.672 -0.119 266 HE3 TRP 38 HE3 TRP 38 3.833 2.881 -4.277 267 HZ2 TRP 38 HZ2 TRP 38 2.279 2.878 0.444 268 HZ3 TRP 38 HZ3 TRP 38 3.715 0.758 -3.005 269 HH2 TRP 38 HH2 TRP 38 2.940 0.751 -0.650 270 H CYS 39 HN CYS 39 5.367 5.773 -2.057 271 HA CYS 39 HA CYS 39 6.969 3.486 -2.897 272 1HB CYS 39 HB2 CYS 39 9.097 4.421 -1.949 273 2HB CYS 39 HB1 CYS 39 8.528 5.326 -3.344 274 HG CYS 39 HG CYS 39 7.415 7.004 -1.474 275 H CYS 40 HN CYS 40 8.515 3.214 -0.572 276 HA CYS 40 HA CYS 40 6.404 2.596 1.400 277 1HB CYS 40 HB1 CYS 40 8.543 1.245 0.499 278 2HB CYS 40 HB2 CYS 40 9.316 2.084 1.843 279 HA PRO 41 HA PRO 41 7.340 6.211 3.778 280 1HB PRO 41 HB2 PRO 41 6.280 4.882 6.164 281 2HB PRO 41 HB1 PRO 41 5.589 6.229 5.247 282 1HG PRO 41 HG2 PRO 41 4.541 3.714 5.299 283 2HG PRO 41 HG1 PRO 41 4.302 4.864 3.979 284 1HD PRO 41 HD2 PRO 41 6.074 2.484 4.120 285 2HD PRO 41 HD1 PRO 41 5.220 3.191 2.732 286 H ASP 42 HN ASP 42 8.727 3.142 4.339 287 HA ASP 42 HA ASP 42 10.589 4.345 6.362 288 1HB ASP 42 HB2 ASP 42 8.880 2.604 7.136 289 2HB ASP 42 HB1 ASP 42 9.757 1.437 6.145 290 H CYS 43 HN CYS 43 10.334 2.904 3.272 291 HA CYS 43 HA CYS 43 13.258 2.226 3.335 292 1HB CYS 43 HB1 CYS 43 10.922 1.027 1.807 293 2HB CYS 43 HB2 CYS 43 12.604 0.613 1.492 294 H GLY 44 HN GLY 44 10.930 2.599 0.665 295 1HA GLY 44 HA2 GLY 44 10.953 4.782 -0.612 296 2HA GLY 44 HA1 GLY 44 12.705 4.745 -0.417 297 H ALA 45 HN ALA 45 10.744 1.896 -1.122 298 HA ALA 45 HA ALA 45 12.150 1.712 -3.766 299 1HB ALA 45 HB1 ALA 45 11.323 -0.212 -1.615 300 2HB ALA 45 HB2 ALA 45 12.844 -0.122 -2.502 301 3HB ALA 45 HB3 ALA 45 11.413 -0.805 -3.273 302 H THR 46 HN THR 46 10.778 0.180 -5.294 303 HA THR 46 HA THR 46 8.254 1.509 -5.807 304 HB THR 46 HB THR 46 8.188 -0.088 -7.682 305 HG1 THR 46 HG1 THR 46 10.000 -1.641 -7.686 306 1HG2 THR 46 HG21 THR 46 11.036 0.224 -7.842 307 2HG2 THR 46 HG22 THR 46 10.353 1.654 -7.069 308 3HG2 THR 46 HG23 THR 46 9.784 1.156 -8.664 309 H LYS 47 HN LYS 47 6.579 -0.600 -6.572 310 HA LYS 47 HA LYS 47 5.432 -1.387 -4.017 311 1HB LYS 47 HB1 LYS 47 4.842 -2.096 -6.915 312 2HB LYS 47 HB2 LYS 47 3.786 -2.500 -5.561 313 1HG LYS 47 HG1 LYS 47 3.193 -0.281 -5.186 314 2HG LYS 47 HG2 LYS 47 4.676 0.344 -5.908 315 1HD LYS 47 HD1 LYS 47 3.842 -0.490 -8.139 316 2HD LYS 47 HD2 LYS 47 2.307 -0.870 -7.358 317 1HE LYS 47 HE2 LYS 47 2.804 1.748 -6.544 318 2HE LYS 47 HE1 LYS 47 3.339 1.727 -8.235 319 1HZ LYS 47 HZ1 LYS 47 1.266 0.652 -8.846 320 2HZ LYS 47 HZ2 LYS 47 0.937 2.118 -8.054 321 3HZ LYS 47 HZ3 LYS 47 0.755 0.645 -7.226 322 H GLU 48 HN GLU 48 7.971 -2.700 -5.831 323 HA GLU 48 HA GLU 48 7.570 -5.474 -5.859 324 1HB GLU 48 HB1 GLU 48 9.717 -3.552 -5.971 325 2HB GLU 48 HB2 GLU 48 10.230 -4.926 -4.991 326 1HG GLU 48 HG2 GLU 48 9.035 -6.251 -7.019 327 2HG GLU 48 HG1 GLU 48 9.559 -4.807 -7.885 328 H ASP 49 HN ASP 49 8.624 -3.423 -3.135 329 HA ASP 49 HA ASP 49 9.019 -5.618 -1.284 330 1HB ASP 49 HB1 ASP 49 8.608 -2.620 -1.067 331 2HB ASP 49 HB2 ASP 49 8.908 -3.631 0.348 332 H TYR 50 HN TYR 50 6.257 -3.724 -2.321 333 HA TYR 50 HA TYR 50 4.577 -4.603 -0.061 334 1HB TYR 50 HB1 TYR 50 4.479 -2.741 -2.392 335 2HB TYR 50 HB2 TYR 50 2.935 -3.354 -1.813 336 HD1 TYR 50 HD1 TYR 50 5.578 -0.994 -1.257 337 HD2 TYR 50 HD2 TYR 50 2.437 -3.167 0.708 338 HE1 TYR 50 HE1 TYR 50 5.649 0.612 0.631 339 HE2 TYR 50 HE2 TYR 50 2.507 -1.560 2.598 340 HH TYR 50 HH TYR 50 4.893 0.322 3.321 341 H VAL 51 HN VAL 51 3.239 -6.368 -0.156 342 HA VAL 51 HA VAL 51 2.699 -7.593 -2.841 343 HB VAL 51 HB VAL 51 3.476 -8.899 -0.206 344 1HG1 VAL 51 HG21 VAL 51 3.435 -11.013 -1.613 345 2HG1 VAL 51 HG22 VAL 51 2.577 -10.086 -2.843 346 3HG1 VAL 51 HG23 VAL 51 1.850 -10.328 -1.255 347 1HG2 VAL 51 HG11 VAL 51 5.435 -9.671 -1.497 348 2HG2 VAL 51 HG12 VAL 51 5.346 -7.909 -1.482 349 3HG2 VAL 51 HG13 VAL 51 4.842 -8.805 -2.914 350 H LEU 52 HN LEU 52 0.693 -8.891 -2.868 351 HA LEU 52 HA LEU 52 -1.518 -7.614 -1.568 352 1HB LEU 52 HB2 LEU 52 -1.533 -8.848 -3.726 353 2HB LEU 52 HB1 LEU 52 -1.282 -10.352 -2.849 354 HG LEU 52 HG LEU 52 -3.454 -10.395 -2.027 355 1HD1 LEU 52 HD11 LEU 52 -3.530 -7.375 -2.352 356 2HD1 LEU 52 HD12 LEU 52 -3.480 -8.270 -0.834 357 3HD1 LEU 52 HD13 LEU 52 -4.914 -8.349 -1.856 358 1HD2 LEU 52 HD21 LEU 52 -3.494 -8.824 -4.597 359 2HD2 LEU 52 HD22 LEU 52 -4.967 -9.449 -3.858 360 3HD2 LEU 52 HD23 LEU 52 -3.705 -10.562 -4.388 361 H TYR 53 HN TYR 53 -1.990 -7.791 0.585 362 HA TYR 53 HA TYR 53 -0.945 -9.952 2.240 363 1HB TYR 53 HB2 TYR 53 -1.405 -7.483 2.817 364 2HB TYR 53 HB1 TYR 53 -3.107 -7.934 2.908 365 HD1 TYR 53 HD1 TYR 53 -3.950 -8.631 4.968 366 HD2 TYR 53 HD2 TYR 53 0.237 -9.114 4.144 367 HE1 TYR 53 HE1 TYR 53 -3.595 -9.489 7.268 368 HE2 TYR 53 HE2 TYR 53 0.592 -9.973 6.442 369 HH TYR 53 HH TYR 53 -0.741 -9.627 8.757 370 H GLU 54 HN GLU 54 -1.927 -11.908 2.532 371 HA GLU 54 HA GLU 54 -4.899 -12.079 2.325 372 1HB GLU 54 HB1 GLU 54 -4.588 -14.085 0.864 373 2HB GLU 54 HB2 GLU 54 -3.932 -12.624 0.125 374 1HG GLU 54 HG2 GLU 54 -1.779 -13.365 0.271 375 2HG GLU 54 HG1 GLU 54 -2.044 -14.120 1.843 376 H GLU 55 HN GLU 55 -5.726 -14.093 3.335 377 HA GLU 55 HA GLU 55 -3.809 -15.208 5.358 378 1HB GLU 55 HB1 GLU 55 -5.705 -13.625 6.074 379 2HB GLU 55 HB2 GLU 55 -6.817 -14.915 5.615 380 1HG GLU 55 HG2 GLU 55 -6.502 -15.446 7.847 381 2HG GLU 55 HG1 GLU 55 -5.183 -16.374 7.133 382 H LYS 56 HN LYS 56 -3.310 -17.034 3.966 383 HA LYS 56 HA LYS 56 -3.661 -19.197 3.085 384 1HB LYS 56 HB2 LYS 56 -5.684 -18.916 5.325 385 2HB LYS 56 HB1 LYS 56 -5.427 -20.444 4.483 386 1HG LYS 56 HG1 LYS 56 -2.853 -19.723 5.042 387 2HG LYS 56 HG2 LYS 56 -3.697 -19.048 6.437 388 1HD LYS 56 HD1 LYS 56 -4.235 -21.106 7.263 389 2HD LYS 56 HD2 LYS 56 -4.535 -21.779 5.662 390 1HE LYS 56 HE2 LYS 56 -2.013 -21.767 5.302 391 2HE LYS 56 HE1 LYS 56 -1.853 -21.380 7.025 392 1HZ LYS 56 HZ1 LYS 56 -1.883 -23.827 6.447 393 2HZ LYS 56 HZ2 LYS 56 -3.515 -23.628 6.026 394 3HZ LYS 56 HZ3 LYS 56 -3.009 -23.336 7.620 Start of MODEL 18 1 H ALA 1 HT1 ALA 1 -15.145 -3.830 1.772 2 HA ALA 1 HA ALA 1 -13.420 -5.454 0.894 3 1HB ALA 1 HB1 ALA 1 -15.002 -3.338 -0.542 4 2HB ALA 1 HB2 ALA 1 -15.309 -5.072 -0.433 5 3HB ALA 1 HB3 ALA 1 -14.039 -4.465 -1.496 6 H TYR 2 HN TYR 2 -11.963 -2.901 1.904 7 HA TYR 2 HA TYR 2 -10.285 -2.051 -0.321 8 1HB TYR 2 HB2 TYR 2 -10.313 -1.744 2.688 9 2HB TYR 2 HB1 TYR 2 -8.978 -1.106 1.727 10 HD1 TYR 2 HD1 TYR 2 -9.753 0.257 -0.441 11 HD2 TYR 2 HD2 TYR 2 -12.134 -0.346 3.083 12 HE1 TYR 2 HE1 TYR 2 -11.123 2.241 -1.027 13 HE2 TYR 2 HE2 TYR 2 -13.503 1.637 2.497 14 HH TYR 2 HH TYR 2 -12.688 3.954 0.660 15 H LEU 3 HN LEU 3 -8.316 -2.893 -0.928 16 HA LEU 3 HA LEU 3 -7.531 -5.509 0.136 17 1HB LEU 3 HB1 LEU 3 -6.889 -3.680 -2.121 18 2HB LEU 3 HB2 LEU 3 -5.585 -4.757 -1.621 19 HG LEU 3 HG LEU 3 -7.234 -6.668 -1.757 20 1HD1 LEU 3 HD11 LEU 3 -9.330 -5.520 -1.593 21 2HD1 LEU 3 HD12 LEU 3 -9.249 -6.156 -3.235 22 3HD1 LEU 3 HD13 LEU 3 -8.922 -4.449 -2.934 23 1HD2 LEU 3 HD21 LEU 3 -7.309 -5.573 -4.483 24 2HD2 LEU 3 HD22 LEU 3 -6.518 -7.029 -3.880 25 3HD2 LEU 3 HD23 LEU 3 -5.720 -5.463 -3.727 26 H LYS 4 HN LYS 4 -5.168 -5.871 0.712 27 HA LYS 4 HA LYS 4 -3.914 -3.499 2.030 28 1HB LYS 4 HB1 LYS 4 -4.862 -6.107 3.188 29 2HB LYS 4 HB2 LYS 4 -3.443 -5.336 3.895 30 1HG LYS 4 HG2 LYS 4 -4.899 -4.093 5.102 31 2HG LYS 4 HG1 LYS 4 -5.236 -3.233 3.599 32 1HD LYS 4 HD1 LYS 4 -7.379 -3.919 3.981 33 2HD LYS 4 HD2 LYS 4 -6.811 -5.437 3.284 34 1HE LYS 4 HE2 LYS 4 -7.781 -6.131 5.327 35 2HE LYS 4 HE1 LYS 4 -6.065 -5.975 5.753 36 1HZ LYS 4 HZ1 LYS 4 -6.648 -3.549 6.224 37 2HZ LYS 4 HZ2 LYS 4 -7.177 -4.700 7.356 38 3HZ LYS 4 HZ3 LYS 4 -8.270 -4.053 6.228 39 H TRP 5 HN TRP 5 -1.801 -3.394 1.399 40 HA TRP 5 HA TRP 5 -0.530 -5.829 0.229 41 1HB TRP 5 HB2 TRP 5 0.289 -2.898 0.222 42 2HB TRP 5 HB1 TRP 5 0.996 -4.173 -0.766 43 HD1 TRP 5 HD1 TRP 5 -2.465 -2.535 -0.203 44 HE1 TRP 5 HE1 TRP 5 -3.708 -2.508 -2.454 45 HE3 TRP 5 HE3 TRP 5 0.936 -4.996 -3.108 46 HZ2 TRP 5 HZ2 TRP 5 -3.315 -3.415 -5.142 47 HZ3 TRP 5 HZ3 TRP 5 0.477 -5.401 -5.509 48 HH2 TRP 5 HH2 TRP 5 -1.640 -4.614 -6.529 49 H ILE 6 HN ILE 6 1.384 -6.673 1.138 50 HA ILE 6 HA ILE 6 2.222 -5.443 3.728 51 HB ILE 6 HB ILE 6 1.299 -7.804 3.578 52 1HG1 ILE 6 HG11 ILE 6 2.570 -7.062 5.520 53 2HG1 ILE 6 HG12 ILE 6 2.973 -8.728 5.137 54 1HG2 ILE 6 HG21 ILE 6 2.687 -8.252 1.433 55 2HG2 ILE 6 HG22 ILE 6 2.559 -9.548 2.623 56 3HG2 ILE 6 HG23 ILE 6 4.021 -8.564 2.543 57 1HD1 ILE 6 HD11 ILE 6 4.877 -7.571 3.692 58 2HD1 ILE 6 HD12 ILE 6 5.094 -7.890 5.410 59 3HD1 ILE 6 HD13 ILE 6 4.637 -6.274 4.864 60 H CYS 7 HN CYS 7 4.226 -4.518 3.793 61 HA CYS 7 HA CYS 7 5.969 -4.556 1.442 62 1HB CYS 7 HB2 CYS 7 5.514 -2.672 3.161 63 2HB CYS 7 HB1 CYS 7 6.583 -3.567 4.239 64 H ILE 8 HN ILE 8 6.473 -6.873 1.327 65 HA ILE 8 HA ILE 8 7.404 -8.537 3.358 66 HB ILE 8 HB ILE 8 6.926 -9.207 1.046 67 1HG1 ILE 8 HG12 ILE 8 9.768 -9.923 1.173 68 2HG1 ILE 8 HG11 ILE 8 8.871 -10.251 2.654 69 1HG2 ILE 8 HG21 ILE 8 9.545 -8.336 0.055 70 2HG2 ILE 8 HG22 ILE 8 8.423 -7.026 0.405 71 3HG2 ILE 8 HG23 ILE 8 7.971 -8.291 -0.738 72 1HD1 ILE 8 HD11 ILE 8 8.911 -12.106 0.853 73 2HD1 ILE 8 HD12 ILE 8 7.815 -11.066 -0.056 74 3HD1 ILE 8 HD13 ILE 8 7.341 -11.675 1.530 75 H THR 9 HN THR 9 9.030 -5.835 1.892 76 HA THR 9 HA THR 9 11.731 -6.508 2.561 77 HB THR 9 HB THR 9 10.242 -3.881 2.207 78 HG1 THR 9 HG1 THR 9 10.225 -5.130 0.371 79 1HG2 THR 9 HG21 THR 9 13.123 -4.514 2.686 80 2HG2 THR 9 HG22 THR 9 12.185 -3.104 3.182 81 3HG2 THR 9 HG23 THR 9 12.743 -3.251 1.515 82 H CYS 10 HN CYS 10 9.100 -5.041 4.446 83 HA CYS 10 HA CYS 10 10.899 -5.173 6.832 84 1HB CYS 10 HB1 CYS 10 9.992 -2.915 7.465 85 2HB CYS 10 HB2 CYS 10 10.933 -2.897 5.974 86 H GLY 11 HN GLY 11 7.684 -5.675 5.545 87 1HA GLY 11 HA2 GLY 11 6.173 -7.122 6.801 88 2HA GLY 11 HA1 GLY 11 6.839 -6.460 8.291 89 H HIS 12 HN HIS 12 6.707 -3.670 7.182 90 HA HIS 12 HA HIS 12 4.273 -2.803 8.279 91 1HB HIS 12 HB1 HIS 12 6.504 -1.757 6.870 92 2HB HIS 12 HB2 HIS 12 5.070 -1.152 6.041 93 HD1 HIS 12 HD1 HIS 12 3.613 0.548 7.272 94 HD2 HIS 12 HD2 HIS 12 6.672 -0.983 9.656 95 HE1 HIS 12 HE1 HIS 12 3.649 1.952 9.380 96 H ILE 13 HN ILE 13 2.177 -2.734 7.539 97 HA ILE 13 HA ILE 13 1.680 -3.782 4.779 98 HB ILE 13 HB ILE 13 0.102 -3.771 7.377 99 1HG1 ILE 13 HG11 ILE 13 0.598 -6.254 5.861 100 2HG1 ILE 13 HG12 ILE 13 2.050 -5.466 6.477 101 1HG2 ILE 13 HG21 ILE 13 -1.618 -3.516 5.781 102 2HG2 ILE 13 HG22 ILE 13 -1.486 -5.267 5.950 103 3HG2 ILE 13 HG23 ILE 13 -0.751 -4.458 4.567 104 1HD1 ILE 13 HD11 ILE 13 -0.236 -6.677 7.972 105 2HD1 ILE 13 HD12 ILE 13 0.548 -5.265 8.680 106 3HD1 ILE 13 HD13 ILE 13 1.488 -6.717 8.338 107 H TYR 14 HN TYR 14 0.375 -2.622 3.386 108 HA TYR 14 HA TYR 14 -0.328 0.167 4.168 109 1HB TYR 14 HB1 TYR 14 1.015 -0.115 2.158 110 2HB TYR 14 HB2 TYR 14 -0.089 -1.341 1.535 111 HD1 TYR 14 HD1 TYR 14 0.074 2.248 2.563 112 HD2 TYR 14 HD2 TYR 14 -1.935 -0.719 0.192 113 HE1 TYR 14 HE1 TYR 14 -1.281 4.025 1.488 114 HE2 TYR 14 HE2 TYR 14 -3.289 1.058 -0.883 115 HH TYR 14 HH TYR 14 -4.050 3.392 -0.299 116 H ASP 15 HN ASP 15 -2.438 0.550 4.715 117 HA ASP 15 HA ASP 15 -4.500 -1.457 3.919 118 1HB ASP 15 HB1 ASP 15 -4.583 0.792 5.965 119 2HB ASP 15 HB2 ASP 15 -5.734 -0.535 5.816 120 H GLU 16 HN GLU 16 -5.410 -0.842 1.983 121 HA GLU 16 HA GLU 16 -5.508 1.648 0.758 122 1HB GLU 16 HB2 GLU 16 -7.228 -0.813 0.807 123 2HB GLU 16 HB1 GLU 16 -7.785 0.580 -0.115 124 1HG GLU 16 HG2 GLU 16 -5.471 0.613 -1.202 125 2HG GLU 16 HG1 GLU 16 -5.214 -0.971 -0.471 126 H ALA 17 HN ALA 17 -7.436 0.520 3.464 127 HA ALA 17 HA ALA 17 -9.302 2.815 3.269 128 1HB ALA 17 HB1 ALA 17 -9.110 0.770 5.485 129 2HB ALA 17 HB2 ALA 17 -9.790 0.331 3.919 130 3HB ALA 17 HB3 ALA 17 -10.545 1.600 4.883 131 H LEU 18 HN LEU 18 -6.282 2.954 3.984 132 HA LEU 18 HA LEU 18 -6.478 5.068 5.934 133 1HB LEU 18 HB1 LEU 18 -6.871 2.703 7.099 134 2HB LEU 18 HB2 LEU 18 -5.110 2.625 7.033 135 HG LEU 18 HG LEU 18 -5.303 5.090 8.006 136 1HD1 LEU 18 HD11 LEU 18 -7.961 4.517 7.848 137 2HD1 LEU 18 HD12 LEU 18 -7.276 5.660 9.003 138 3HD1 LEU 18 HD13 LEU 18 -7.618 4.003 9.500 139 1HD2 LEU 18 HD21 LEU 18 -4.129 3.630 9.363 140 2HD2 LEU 18 HD22 LEU 18 -5.408 2.417 9.344 141 3HD2 LEU 18 HD23 LEU 18 -5.570 3.853 10.356 142 H GLY 19 HN GLY 19 -5.201 5.295 3.637 143 1HA GLY 19 HA1 GLY 19 -2.508 4.298 3.528 144 2HA GLY 19 HA2 GLY 19 -3.136 5.643 2.577 145 H ASP 20 HN ASP 20 -1.518 7.149 2.893 146 HA ASP 20 HA ASP 20 -0.633 7.739 5.675 147 1HB ASP 20 HB1 ASP 20 0.447 7.800 2.937 148 2HB ASP 20 HB2 ASP 20 0.851 9.243 3.869 149 H GLU 21 HN GLU 21 -0.215 10.182 6.033 150 HA GLU 21 HA GLU 21 -2.614 11.698 5.083 151 1HB GLU 21 HB1 GLU 21 -1.044 11.433 7.582 152 2HB GLU 21 HB2 GLU 21 -1.539 13.082 7.198 153 1HG GLU 21 HG1 GLU 21 -3.628 11.012 6.836 154 2HG GLU 21 HG2 GLU 21 -3.130 11.298 8.503 155 H ALA 22 HN ALA 22 0.885 12.072 5.734 156 HA ALA 22 HA ALA 22 1.226 14.722 4.819 157 1HB ALA 22 HB1 ALA 22 3.046 12.301 4.534 158 2HB ALA 22 HB2 ALA 22 2.905 13.302 5.979 159 3HB ALA 22 HB3 ALA 22 3.571 13.984 4.496 160 H GLU 23 HN GLU 23 1.680 11.703 2.925 161 HA GLU 23 HA GLU 23 2.114 12.957 0.406 162 1HB GLU 23 HB1 GLU 23 2.541 10.569 1.053 163 2HB GLU 23 HB2 GLU 23 0.800 10.290 1.048 164 1HG GLU 23 HG1 GLU 23 1.276 9.648 -1.118 165 2HG GLU 23 HG2 GLU 23 1.025 11.372 -1.391 166 H GLY 24 HN GLY 24 -0.789 12.603 2.263 167 1HA GLY 24 HA2 GLY 24 -2.886 13.630 1.765 168 2HA GLY 24 HA1 GLY 24 -2.330 13.902 0.111 169 H PHE 25 HN PHE 25 -2.051 10.788 1.703 170 HA PHE 25 HA PHE 25 -3.564 9.500 -0.444 171 1HB PHE 25 HB1 PHE 25 -1.619 8.906 1.607 172 2HB PHE 25 HB2 PHE 25 -2.953 7.772 1.750 173 HD1 PHE 25 HD1 PHE 25 -1.900 9.346 -1.447 174 HD2 PHE 25 HD2 PHE 25 -1.751 5.844 1.023 175 HE1 PHE 25 HE1 PHE 25 -0.981 8.046 -3.351 176 HE2 PHE 25 HE2 PHE 25 -0.836 4.537 -0.878 177 HZ PHE 25 HZ PHE 25 -0.450 5.639 -3.065 178 H THR 26 HN THR 26 -5.646 10.656 0.106 179 HA THR 26 HA THR 26 -7.071 10.464 2.506 180 HB THR 26 HB THR 26 -7.633 11.723 0.420 181 HG1 THR 26 HG1 THR 26 -9.632 11.747 1.063 182 1HG2 THR 26 HG21 THR 26 -8.741 9.099 -0.583 183 2HG2 THR 26 HG22 THR 26 -7.162 9.714 -1.065 184 3HG2 THR 26 HG23 THR 26 -8.621 10.624 -1.458 185 HA PRO 27 HA PRO 27 -7.916 6.197 3.155 186 1HB PRO 27 HB2 PRO 27 -10.558 6.434 4.074 187 2HB PRO 27 HB1 PRO 27 -9.106 6.575 5.079 188 1HG PRO 27 HG1 PRO 27 -10.832 8.694 3.927 189 2HG PRO 27 HG2 PRO 27 -9.939 8.668 5.454 190 1HD PRO 27 HD1 PRO 27 -9.122 10.085 3.295 191 2HD PRO 27 HD2 PRO 27 -7.988 9.387 4.472 192 H GLY 28 HN GLY 28 -8.263 4.918 1.385 193 1HA GLY 28 HA2 GLY 28 -10.303 3.853 0.202 194 2HA GLY 28 HA1 GLY 28 -10.634 5.499 -0.336 195 H THR 29 HN THR 29 -7.621 5.946 -0.508 196 HA THR 29 HA THR 29 -7.261 5.540 -3.280 197 HB THR 29 HB THR 29 -5.237 5.696 -1.013 198 HG1 THR 29 HG1 THR 29 -5.401 7.861 -1.289 199 1HG2 THR 29 HG21 THR 29 -3.737 6.625 -2.770 200 2HG2 THR 29 HG22 THR 29 -4.971 6.271 -3.980 201 3HG2 THR 29 HG23 THR 29 -4.194 4.954 -3.103 202 H ARG 30 HN ARG 30 -6.775 3.732 -4.456 203 HA ARG 30 HA ARG 30 -5.959 1.264 -2.971 204 1HB ARG 30 HB2 ARG 30 -7.326 1.788 -5.635 205 2HB ARG 30 HB1 ARG 30 -6.868 0.177 -5.077 206 1HG ARG 30 HG1 ARG 30 -8.192 0.883 -2.906 207 2HG ARG 30 HG2 ARG 30 -8.965 2.034 -3.997 208 1HD ARG 30 HD2 ARG 30 -9.761 0.270 -5.431 209 2HD ARG 30 HD1 ARG 30 -8.765 -0.937 -4.595 210 HE ARG 30 HE ARG 30 -10.367 -0.965 -2.850 211 1HH1 ARG 30 HH21 ARG 30 -10.766 1.848 -4.863 212 2HH1 ARG 30 HH22 ARG 30 -12.224 2.341 -4.075 213 1HH2 ARG 30 HH12 ARG 30 -12.263 -0.302 -1.843 214 2HH2 ARG 30 HH11 ARG 30 -13.066 1.135 -2.380 215 H PHE 31 HN PHE 31 -4.161 0.052 -3.759 216 HA PHE 31 HA PHE 31 -1.906 1.370 -4.756 217 1HB PHE 31 HB1 PHE 31 -2.852 -1.321 -4.273 218 2HB PHE 31 HB2 PHE 31 -1.881 -1.289 -5.745 219 HD1 PHE 31 HD1 PHE 31 0.266 -2.058 -5.248 220 HD2 PHE 31 HD2 PHE 31 -1.668 0.663 -2.545 221 HE1 PHE 31 HE1 PHE 31 2.332 -1.947 -3.883 222 HE2 PHE 31 HE2 PHE 31 0.400 0.775 -1.180 223 HZ PHE 31 HZ PHE 31 2.401 -0.532 -1.850 224 H GLU 32 HN GLU 32 -4.469 -0.274 -6.614 225 HA GLU 32 HA GLU 32 -3.359 -0.268 -9.186 226 1HB GLU 32 HB1 GLU 32 -5.507 -1.256 -8.541 227 2HB GLU 32 HB2 GLU 32 -6.186 0.346 -8.262 228 1HG GLU 32 HG2 GLU 32 -6.813 0.367 -10.430 229 2HG GLU 32 HG1 GLU 32 -5.104 0.441 -10.857 230 H ASP 33 HN ASP 33 -5.109 2.384 -7.551 231 HA ASP 33 HA ASP 33 -4.658 4.226 -9.794 232 1HB ASP 33 HB2 ASP 33 -5.914 4.282 -7.054 233 2HB ASP 33 HB1 ASP 33 -5.624 5.797 -7.910 234 H ILE 34 HN ILE 34 -2.560 3.002 -7.563 235 HA ILE 34 HA ILE 34 -1.186 5.610 -7.068 236 HB ILE 34 HB ILE 34 -0.943 2.836 -5.850 237 1HG1 ILE 34 HG12 ILE 34 -1.914 5.411 -4.597 238 2HG1 ILE 34 HG11 ILE 34 -3.000 4.240 -5.343 239 1HG2 ILE 34 HG21 ILE 34 1.203 4.174 -5.905 240 2HG2 ILE 34 HG22 ILE 34 0.625 3.790 -4.283 241 3HG2 ILE 34 HG23 ILE 34 0.383 5.406 -4.947 242 1HD1 ILE 34 HD11 ILE 34 -2.292 4.165 -2.719 243 2HD1 ILE 34 HD12 ILE 34 -1.046 3.125 -3.412 244 3HD1 ILE 34 HD13 ILE 34 -2.749 2.733 -3.641 245 HA PRO 35 HA PRO 35 1.301 3.921 -10.495 246 1HB PRO 35 HB2 PRO 35 2.625 6.335 -10.912 247 2HB PRO 35 HB1 PRO 35 1.109 5.872 -11.704 248 1HG PRO 35 HG2 PRO 35 1.566 7.654 -9.371 249 2HG PRO 35 HG1 PRO 35 0.369 7.775 -10.668 250 1HD PRO 35 HD1 PRO 35 -0.232 6.906 -8.166 251 2HD PRO 35 HD2 PRO 35 -1.097 6.355 -9.615 252 H ASP 36 HN ASP 36 3.916 4.846 -10.782 253 HA ASP 36 HA ASP 36 5.218 3.618 -8.479 254 1HB ASP 36 HB1 ASP 36 7.238 4.041 -9.869 255 2HB ASP 36 HB2 ASP 36 5.943 3.324 -10.828 256 H ASP 37 HN ASP 37 4.095 6.759 -9.010 257 HA ASP 37 HA ASP 37 6.252 8.357 -8.002 258 1HB ASP 37 HB2 ASP 37 3.814 8.776 -9.115 259 2HB ASP 37 HB1 ASP 37 3.417 9.081 -7.424 260 H TRP 38 HN TRP 38 3.726 6.464 -6.412 261 HA TRP 38 HA TRP 38 4.304 7.564 -3.750 262 1HB TRP 38 HB1 TRP 38 2.056 6.844 -4.409 263 2HB TRP 38 HB2 TRP 38 2.655 5.230 -4.788 264 HD1 TRP 38 HD1 TRP 38 1.956 7.553 -1.827 265 HE1 TRP 38 HE1 TRP 38 1.814 6.131 0.320 266 HE3 TRP 38 HE3 TRP 38 3.369 3.012 -3.683 267 HZ2 TRP 38 HZ2 TRP 38 2.245 3.424 1.140 268 HZ3 TRP 38 HZ3 TRP 38 3.495 1.031 -2.201 269 HH2 TRP 38 HH2 TRP 38 2.935 1.231 0.207 270 H CYS 39 HN CYS 39 4.923 5.984 -1.960 271 HA CYS 39 HA CYS 39 6.459 3.604 -2.773 272 1HB CYS 39 HB2 CYS 39 8.581 4.573 -1.866 273 2HB CYS 39 HB1 CYS 39 7.982 5.477 -3.249 274 HG CYS 39 HG CYS 39 8.155 7.418 -1.699 275 H CYS 40 HN CYS 40 8.025 3.417 -0.444 276 HA CYS 40 HA CYS 40 5.918 2.865 1.573 277 1HB CYS 40 HB1 CYS 40 7.881 1.340 0.624 278 2HB CYS 40 HB2 CYS 40 8.830 2.178 1.851 279 HA PRO 41 HA PRO 41 7.276 6.379 3.907 280 1HB PRO 41 HB2 PRO 41 5.963 5.839 6.249 281 2HB PRO 41 HB1 PRO 41 5.133 6.426 4.797 282 1HG PRO 41 HG1 PRO 41 5.289 3.677 5.917 283 2HG PRO 41 HG2 PRO 41 3.949 4.487 5.096 284 1HD PRO 41 HD1 PRO 41 5.634 2.641 3.925 285 2HD PRO 41 HD2 PRO 41 4.677 3.845 3.037 286 H ASP 42 HN ASP 42 8.270 3.207 4.483 287 HA ASP 42 HA ASP 42 10.133 4.139 6.639 288 1HB ASP 42 HB2 ASP 42 8.081 2.589 7.195 289 2HB ASP 42 HB1 ASP 42 9.066 1.325 6.459 290 H CYS 43 HN CYS 43 10.161 3.411 3.521 291 HA CYS 43 HA CYS 43 12.830 2.109 3.687 292 1HB CYS 43 HB1 CYS 43 10.366 1.077 2.252 293 2HB CYS 43 HB2 CYS 43 11.991 0.543 1.824 294 H GLY 44 HN GLY 44 10.525 2.721 1.021 295 1HA GLY 44 HA2 GLY 44 10.825 4.852 -0.298 296 2HA GLY 44 HA1 GLY 44 12.560 4.583 -0.136 297 H ALA 45 HN ALA 45 10.221 2.014 -0.766 298 HA ALA 45 HA ALA 45 11.523 1.628 -3.441 299 1HB ALA 45 HB1 ALA 45 9.988 -0.498 -1.979 300 2HB ALA 45 HB2 ALA 45 11.572 -0.037 -1.356 301 3HB ALA 45 HB3 ALA 45 11.418 -0.662 -2.998 302 H THR 46 HN THR 46 9.778 -0.029 -4.665 303 HA THR 46 HA THR 46 7.290 1.623 -4.895 304 HB THR 46 HB THR 46 7.247 0.735 -7.186 305 HG1 THR 46 HG1 THR 46 8.419 -0.938 -7.750 306 1HG2 THR 46 HG21 THR 46 8.738 2.667 -6.703 307 2HG2 THR 46 HG22 THR 46 9.353 1.668 -8.020 308 3HG2 THR 46 HG23 THR 46 10.066 1.543 -6.412 309 H LYS 47 HN LYS 47 5.733 -0.268 -6.264 310 HA LYS 47 HA LYS 47 4.561 -1.803 -4.177 311 1HB LYS 47 HB2 LYS 47 3.382 -1.196 -6.219 312 2HB LYS 47 HB1 LYS 47 4.560 -2.054 -7.210 313 1HG LYS 47 HG1 LYS 47 3.868 -4.191 -6.220 314 2HG LYS 47 HG2 LYS 47 2.729 -3.351 -5.167 315 1HD LYS 47 HD1 LYS 47 1.206 -3.074 -6.836 316 2HD LYS 47 HD2 LYS 47 2.445 -2.710 -8.035 317 1HE LYS 47 HE2 LYS 47 3.000 -5.123 -8.191 318 2HE LYS 47 HE1 LYS 47 1.734 -5.481 -7.000 319 1HZ LYS 47 HZ1 LYS 47 1.441 -4.314 -9.708 320 2HZ LYS 47 HZ2 LYS 47 0.230 -4.136 -8.531 321 3HZ LYS 47 HZ3 LYS 47 0.672 -5.686 -9.066 322 H GLU 48 HN GLU 48 7.375 -2.416 -6.136 323 HA GLU 48 HA GLU 48 7.521 -5.216 -6.248 324 1HB GLU 48 HB2 GLU 48 9.508 -2.976 -5.865 325 2HB GLU 48 HB1 GLU 48 10.065 -4.649 -5.920 326 1HG GLU 48 HG2 GLU 48 8.939 -4.941 -8.108 327 2HG GLU 48 HG1 GLU 48 8.415 -3.258 -8.055 328 H ASP 49 HN ASP 49 8.308 -3.064 -3.515 329 HA ASP 49 HA ASP 49 9.151 -5.260 -1.779 330 1HB ASP 49 HB2 ASP 49 8.551 -2.307 -1.503 331 2HB ASP 49 HB1 ASP 49 8.929 -3.290 -0.089 332 H TYR 50 HN TYR 50 6.145 -3.672 -2.582 333 HA TYR 50 HA TYR 50 4.758 -4.795 -0.217 334 1HB TYR 50 HB1 TYR 50 4.303 -2.778 -2.371 335 2HB TYR 50 HB2 TYR 50 2.874 -3.556 -1.702 336 HD1 TYR 50 HD1 TYR 50 2.692 -3.651 0.889 337 HD2 TYR 50 HD2 TYR 50 5.297 -0.985 -1.238 338 HE1 TYR 50 HE1 TYR 50 2.828 -2.191 2.892 339 HE2 TYR 50 HE2 TYR 50 5.435 0.479 0.763 340 HH TYR 50 HH TYR 50 4.644 -0.446 3.771 341 H VAL 51 HN VAL 51 3.386 -6.553 -0.365 342 HA VAL 51 HA VAL 51 2.967 -7.736 -3.091 343 HB VAL 51 HB VAL 51 3.459 -9.028 -0.382 344 1HG1 VAL 51 HG21 VAL 51 2.941 -10.302 -3.088 345 2HG1 VAL 51 HG22 VAL 51 1.842 -10.336 -1.708 346 3HG1 VAL 51 HG23 VAL 51 3.394 -11.169 -1.621 347 1HG2 VAL 51 HG11 VAL 51 5.211 -8.070 -2.385 348 2HG2 VAL 51 HG12 VAL 51 5.210 -9.827 -2.534 349 3HG2 VAL 51 HG13 VAL 51 5.626 -9.073 -0.995 350 H LEU 52 HN LEU 52 0.946 -9.022 -3.262 351 HA LEU 52 HA LEU 52 -1.319 -7.658 -2.075 352 1HB LEU 52 HB2 LEU 52 -0.904 -8.976 -4.345 353 2HB LEU 52 HB1 LEU 52 -1.447 -10.356 -3.398 354 HG LEU 52 HG LEU 52 -3.344 -9.295 -4.558 355 1HD1 LEU 52 HD11 LEU 52 -3.616 -8.510 -1.669 356 2HD1 LEU 52 HD12 LEU 52 -3.414 -10.206 -2.107 357 3HD1 LEU 52 HD13 LEU 52 -4.794 -9.295 -2.721 358 1HD2 LEU 52 HD21 LEU 52 -2.141 -6.985 -4.438 359 2HD2 LEU 52 HD22 LEU 52 -2.913 -6.844 -2.859 360 3HD2 LEU 52 HD23 LEU 52 -3.899 -7.022 -4.311 361 H TYR 53 HN TYR 53 -1.456 -7.944 0.149 362 HA TYR 53 HA TYR 53 -0.861 -10.405 1.526 363 1HB TYR 53 HB2 TYR 53 -1.138 -7.839 2.229 364 2HB TYR 53 HB1 TYR 53 -2.785 -8.361 2.586 365 HD1 TYR 53 HD1 TYR 53 0.622 -9.906 2.957 366 HD2 TYR 53 HD2 TYR 53 -3.089 -8.843 4.842 367 HE1 TYR 53 HE1 TYR 53 1.407 -10.926 5.076 368 HE2 TYR 53 HE2 TYR 53 -2.304 -9.865 6.961 369 HH TYR 53 HH TYR 53 -0.627 -11.657 7.626 370 H GLU 54 HN GLU 54 -2.479 -11.753 2.662 371 HA GLU 54 HA GLU 54 -4.801 -12.330 0.934 372 1HB GLU 54 HB1 GLU 54 -3.045 -13.902 2.166 373 2HB GLU 54 HB2 GLU 54 -4.159 -13.724 3.521 374 1HG GLU 54 HG2 GLU 54 -5.251 -15.470 2.544 375 2HG GLU 54 HG1 GLU 54 -5.900 -14.228 1.473 376 H GLU 55 HN GLU 55 -6.981 -12.536 1.872 377 HA GLU 55 HA GLU 55 -7.800 -10.292 3.437 378 1HB GLU 55 HB2 GLU 55 -8.909 -12.707 2.193 379 2HB GLU 55 HB1 GLU 55 -9.772 -12.253 3.663 380 1HG GLU 55 HG1 GLU 55 -10.827 -11.082 1.844 381 2HG GLU 55 HG2 GLU 55 -9.884 -9.891 2.742 382 H LYS 56 HN LYS 56 -9.309 -10.896 5.496 383 HA LYS 56 HA LYS 56 -7.950 -12.857 7.267 384 1HB LYS 56 HB2 LYS 56 -6.824 -10.547 7.298 385 2HB LYS 56 HB1 LYS 56 -8.308 -9.944 8.034 386 1HG LYS 56 HG2 LYS 56 -7.352 -12.383 9.328 387 2HG LYS 56 HG1 LYS 56 -6.153 -11.090 9.386 388 1HD LYS 56 HD2 LYS 56 -7.319 -10.171 11.080 389 2HD LYS 56 HD1 LYS 56 -8.631 -9.859 9.944 390 1HE LYS 56 HE2 LYS 56 -9.886 -11.297 11.180 391 2HE LYS 56 HE1 LYS 56 -8.847 -12.598 10.571 392 1HZ LYS 56 HZ1 LYS 56 -8.143 -10.857 12.875 393 2HZ LYS 56 HZ2 LYS 56 -7.325 -12.251 12.356 394 3HZ LYS 56 HZ3 LYS 56 -8.871 -12.381 13.046 Start of MODEL 19 1 H ALA 1 HT1 ALA 1 -14.016 -3.875 0.655 2 HA ALA 1 HA ALA 1 -14.259 -3.989 -2.311 3 1HB ALA 1 HB1 ALA 1 -14.938 -1.675 -2.081 4 2HB ALA 1 HB2 ALA 1 -14.551 -1.679 -0.360 5 3HB ALA 1 HB3 ALA 1 -15.924 -2.611 -0.957 6 H TYR 2 HN TYR 2 -12.717 -2.159 0.367 7 HA TYR 2 HA TYR 2 -10.448 -1.349 -1.212 8 1HB TYR 2 HB2 TYR 2 -11.086 -1.521 1.748 9 2HB TYR 2 HB1 TYR 2 -9.569 -0.843 1.157 10 HD1 TYR 2 HD1 TYR 2 -10.222 0.654 -1.183 11 HD2 TYR 2 HD2 TYR 2 -12.520 0.192 2.414 12 HE1 TYR 2 HE1 TYR 2 -11.360 2.810 -1.636 13 HE2 TYR 2 HE2 TYR 2 -13.660 2.348 1.964 14 HH TYR 2 HH TYR 2 -14.020 3.734 -0.609 15 H LEU 3 HN LEU 3 -8.519 -2.387 -1.559 16 HA LEU 3 HA LEU 3 -8.243 -5.168 -0.570 17 1HB LEU 3 HB1 LEU 3 -7.455 -3.554 -2.855 18 2HB LEU 3 HB2 LEU 3 -6.057 -4.396 -2.187 19 HG LEU 3 HG LEU 3 -7.367 -6.523 -2.242 20 1HD1 LEU 3 HD11 LEU 3 -9.404 -4.703 -3.547 21 2HD1 LEU 3 HD12 LEU 3 -9.621 -5.706 -2.113 22 3HD1 LEU 3 HD13 LEU 3 -9.453 -6.459 -3.699 23 1HD2 LEU 3 HD21 LEU 3 -6.545 -4.934 -4.584 24 2HD2 LEU 3 HD22 LEU 3 -7.663 -6.245 -4.962 25 3HD2 LEU 3 HD23 LEU 3 -6.136 -6.594 -4.153 26 H LYS 4 HN LYS 4 -5.918 -5.787 0.120 27 HA LYS 4 HA LYS 4 -4.684 -3.579 1.724 28 1HB LYS 4 HB2 LYS 4 -4.341 -5.403 3.468 29 2HB LYS 4 HB1 LYS 4 -6.020 -4.956 3.181 30 1HG LYS 4 HG2 LYS 4 -5.008 -7.118 1.444 31 2HG LYS 4 HG1 LYS 4 -5.115 -7.528 3.155 32 1HD LYS 4 HD2 LYS 4 -7.410 -7.338 3.196 33 2HD LYS 4 HD1 LYS 4 -7.433 -6.087 1.952 34 1HE LYS 4 HE1 LYS 4 -8.362 -8.125 0.989 35 2HE LYS 4 HE2 LYS 4 -6.755 -7.880 0.278 36 1HZ LYS 4 HZ1 LYS 4 -5.802 -9.377 1.836 37 2HZ LYS 4 HZ2 LYS 4 -7.164 -10.165 1.195 38 3HZ LYS 4 HZ3 LYS 4 -7.235 -9.469 2.743 39 H TRP 5 HN TRP 5 -2.490 -3.447 1.529 40 HA TRP 5 HA TRP 5 -1.049 -5.729 0.205 41 1HB TRP 5 HB2 TRP 5 -0.381 -2.764 0.162 42 2HB TRP 5 HB1 TRP 5 0.361 -4.025 -0.817 43 HD1 TRP 5 HD1 TRP 5 -3.115 -2.431 -0.277 44 HE1 TRP 5 HE1 TRP 5 -4.363 -2.448 -2.522 45 HE3 TRP 5 HE3 TRP 5 0.293 -4.922 -3.146 46 HZ2 TRP 5 HZ2 TRP 5 -3.973 -3.408 -5.196 47 HZ3 TRP 5 HZ3 TRP 5 -0.171 -5.377 -5.536 48 HH2 TRP 5 HH2 TRP 5 -2.296 -4.625 -6.565 49 H ILE 6 HN ILE 6 1.445 -5.401 0.749 50 HA ILE 6 HA ILE 6 2.000 -4.233 3.356 51 HB ILE 6 HB ILE 6 0.718 -6.354 3.793 52 1HG1 ILE 6 HG11 ILE 6 2.284 -5.307 5.436 53 2HG1 ILE 6 HG12 ILE 6 2.128 -7.047 5.630 54 1HG2 ILE 6 HG21 ILE 6 3.252 -7.707 2.837 55 2HG2 ILE 6 HG22 ILE 6 1.756 -7.640 1.904 56 3HG2 ILE 6 HG23 ILE 6 1.795 -8.494 3.447 57 1HD1 ILE 6 HD11 ILE 6 4.231 -6.863 3.864 58 2HD1 ILE 6 HD12 ILE 6 4.385 -7.064 5.605 59 3HD1 ILE 6 HD13 ILE 6 4.478 -5.454 4.892 60 H CYS 7 HN CYS 7 4.064 -3.539 3.215 61 HA CYS 7 HA CYS 7 5.847 -4.353 1.092 62 1HB CYS 7 HB2 CYS 7 5.682 -2.136 2.364 63 2HB CYS 7 HB1 CYS 7 6.500 -2.946 3.699 64 H ILE 8 HN ILE 8 6.172 -6.640 1.304 65 HA ILE 8 HA ILE 8 6.739 -8.083 3.643 66 HB ILE 8 HB ILE 8 6.270 -9.084 1.473 67 1HG1 ILE 8 HG12 ILE 8 9.059 -9.973 1.838 68 2HG1 ILE 8 HG11 ILE 8 8.038 -10.063 3.268 69 1HG2 ILE 8 HG21 ILE 8 8.621 -8.983 0.052 70 2HG2 ILE 8 HG22 ILE 8 8.506 -7.361 0.735 71 3HG2 ILE 8 HG23 ILE 8 7.199 -7.989 -0.264 72 1HD1 ILE 8 HD11 ILE 8 7.211 -11.995 2.441 73 2HD1 ILE 8 HD12 ILE 8 8.051 -11.756 0.909 74 3HD1 ILE 8 HD13 ILE 8 6.455 -11.049 1.160 75 H THR 9 HN THR 9 8.740 -5.808 1.967 76 HA THR 9 HA THR 9 11.324 -6.719 2.768 77 HB THR 9 HB THR 9 10.177 -3.961 2.212 78 HG1 THR 9 HG1 THR 9 11.528 -5.849 0.586 79 1HG2 THR 9 HG21 THR 9 12.204 -3.245 2.925 80 2HG2 THR 9 HG22 THR 9 12.820 -3.950 1.431 81 3HG2 THR 9 HG23 THR 9 12.871 -4.877 2.931 82 H CYS 10 HN CYS 10 8.834 -4.900 4.501 83 HA CYS 10 HA CYS 10 10.648 -4.892 6.885 84 1HB CYS 10 HB1 CYS 10 9.814 -2.611 7.364 85 2HB CYS 10 HB2 CYS 10 10.569 -2.680 5.773 86 H GLY 11 HN GLY 11 7.281 -4.881 5.686 87 1HA GLY 11 HA2 GLY 11 5.716 -6.425 6.840 88 2HA GLY 11 HA1 GLY 11 6.491 -5.974 8.355 89 H HIS 12 HN HIS 12 5.572 -3.730 5.768 90 HA HIS 12 HA HIS 12 3.766 -2.366 7.728 91 1HB HIS 12 HB1 HIS 12 5.480 -1.558 5.387 92 2HB HIS 12 HB2 HIS 12 4.126 -0.527 5.853 93 HD1 HIS 12 HD1 HIS 12 5.794 1.319 6.700 94 HD2 HIS 12 HD2 HIS 12 6.084 -2.310 8.730 95 HE1 HIS 12 HE1 HIS 12 7.163 1.771 8.783 96 H ILE 13 HN ILE 13 1.686 -3.093 7.399 97 HA ILE 13 HA ILE 13 0.740 -3.942 4.764 98 HB ILE 13 HB ILE 13 -0.565 -3.537 7.480 99 1HG1 ILE 13 HG12 ILE 13 0.113 -6.115 6.050 100 2HG1 ILE 13 HG11 ILE 13 1.242 -5.318 7.148 101 1HG2 ILE 13 HG21 ILE 13 -2.324 -5.115 6.423 102 2HG2 ILE 13 HG22 ILE 13 -1.654 -4.610 4.872 103 3HG2 ILE 13 HG23 ILE 13 -2.376 -3.416 5.952 104 1HD1 ILE 13 HD11 ILE 13 -0.551 -5.364 8.913 105 2HD1 ILE 13 HD12 ILE 13 -0.003 -6.966 8.418 106 3HD1 ILE 13 HD13 ILE 13 -1.535 -6.333 7.817 107 H TYR 14 HN TYR 14 -0.336 -2.671 3.300 108 HA TYR 14 HA TYR 14 -1.005 0.129 4.076 109 1HB TYR 14 HB1 TYR 14 0.383 -0.172 2.091 110 2HB TYR 14 HB2 TYR 14 -0.754 -1.346 1.428 111 HD1 TYR 14 HD1 TYR 14 -0.342 2.231 2.373 112 HD2 TYR 14 HD2 TYR 14 -2.725 -0.648 0.251 113 HE1 TYR 14 HE1 TYR 14 -1.642 4.069 1.331 114 HE2 TYR 14 HE2 TYR 14 -4.020 1.190 -0.789 115 HH TYR 14 HH TYR 14 -4.572 3.589 -0.229 116 H ASP 15 HN ASP 15 -3.123 0.654 4.424 117 HA ASP 15 HA ASP 15 -5.215 -1.304 3.551 118 1HB ASP 15 HB1 ASP 15 -5.301 0.860 5.688 119 2HB ASP 15 HB2 ASP 15 -6.488 -0.420 5.440 120 H GLU 16 HN GLU 16 -6.103 -0.583 1.641 121 HA GLU 16 HA GLU 16 -5.972 1.952 0.499 122 1HB GLU 16 HB2 GLU 16 -7.750 -0.434 0.355 123 2HB GLU 16 HB1 GLU 16 -8.353 1.034 -0.411 124 1HG GLU 16 HG1 GLU 16 -7.133 0.081 -2.154 125 2HG GLU 16 HG2 GLU 16 -5.933 1.154 -1.432 126 H ALA 17 HN ALA 17 -8.041 0.900 3.127 127 HA ALA 17 HA ALA 17 -9.821 3.239 2.925 128 1HB ALA 17 HB1 ALA 17 -10.462 2.146 5.260 129 2HB ALA 17 HB2 ALA 17 -9.475 0.811 4.664 130 3HB ALA 17 HB3 ALA 17 -10.894 1.332 3.756 131 H LEU 18 HN LEU 18 -6.688 3.116 3.743 132 HA LEU 18 HA LEU 18 -6.734 5.517 5.330 133 1HB LEU 18 HB1 LEU 18 -7.405 3.269 6.738 134 2HB LEU 18 HB2 LEU 18 -5.658 3.296 6.974 135 HG LEU 18 HG LEU 18 -6.771 5.957 7.266 136 1HD1 LEU 18 HD11 LEU 18 -8.463 5.686 8.760 137 2HD1 LEU 18 HD12 LEU 18 -7.665 4.329 9.555 138 3HD1 LEU 18 HD13 LEU 18 -8.589 4.065 8.075 139 1HD2 LEU 18 HD21 LEU 18 -4.596 5.350 8.131 140 2HD2 LEU 18 HD22 LEU 18 -5.289 4.036 9.082 141 3HD2 LEU 18 HD23 LEU 18 -5.637 5.712 9.506 142 H GLY 19 HN GLY 19 -5.270 5.449 3.236 143 1HA GLY 19 HA1 GLY 19 -2.794 4.018 3.285 144 2HA GLY 19 HA2 GLY 19 -3.116 5.452 2.312 145 H ASP 20 HN ASP 20 -1.251 6.616 2.722 146 HA ASP 20 HA ASP 20 -0.128 6.870 5.407 147 1HB ASP 20 HB1 ASP 20 0.377 8.064 2.666 148 2HB ASP 20 HB2 ASP 20 1.322 8.549 4.075 149 H GLU 21 HN GLU 21 0.206 9.060 6.395 150 HA GLU 21 HA GLU 21 -2.185 10.817 5.952 151 1HB GLU 21 HB2 GLU 21 -1.872 9.511 8.132 152 2HB GLU 21 HB1 GLU 21 -0.467 10.532 8.438 153 1HG GLU 21 HG2 GLU 21 -3.087 11.819 7.738 154 2HG GLU 21 HG1 GLU 21 -2.829 11.233 9.381 155 H ALA 22 HN ALA 22 1.310 10.671 6.202 156 HA ALA 22 HA ALA 22 1.721 13.550 6.432 157 1HB ALA 22 HB1 ALA 22 3.608 11.388 5.437 158 2HB ALA 22 HB2 ALA 22 3.266 11.650 7.147 159 3HB ALA 22 HB3 ALA 22 4.046 12.916 6.198 160 H GLU 23 HN GLU 23 1.989 11.178 3.757 161 HA GLU 23 HA GLU 23 2.661 13.129 1.745 162 1HB GLU 23 HB2 GLU 23 1.546 10.313 1.770 163 2HB GLU 23 HB1 GLU 23 1.948 11.159 0.279 164 1HG GLU 23 HG1 GLU 23 4.185 10.927 0.604 165 2HG GLU 23 HG2 GLU 23 4.059 11.270 2.329 166 H GLY 24 HN GLY 24 -0.388 11.762 2.935 167 1HA GLY 24 HA2 GLY 24 -2.400 13.197 2.824 168 2HA GLY 24 HA1 GLY 24 -1.821 13.785 1.266 169 H PHE 25 HN PHE 25 -1.741 10.382 2.232 170 HA PHE 25 HA PHE 25 -3.145 9.587 -0.180 171 1HB PHE 25 HB1 PHE 25 -1.586 8.467 1.954 172 2HB PHE 25 HB2 PHE 25 -3.079 7.541 1.821 173 HD1 PHE 25 HD1 PHE 25 -0.660 9.207 -0.513 174 HD2 PHE 25 HD2 PHE 25 -2.981 5.710 0.383 175 HE1 PHE 25 HE1 PHE 25 0.220 8.102 -2.555 176 HE2 PHE 25 HE2 PHE 25 -2.102 4.605 -1.657 177 HZ PHE 25 HZ PHE 25 -0.504 5.798 -3.127 178 H THR 26 HN THR 26 -5.144 10.859 0.138 179 HA THR 26 HA THR 26 -6.913 10.826 2.269 180 HB THR 26 HB THR 26 -7.058 12.072 0.110 181 HG1 THR 26 HG1 THR 26 -9.267 12.078 0.096 182 1HG2 THR 26 HG21 THR 26 -8.421 9.692 -1.099 183 2HG2 THR 26 HG22 THR 26 -6.661 9.786 -1.147 184 3HG2 THR 26 HG23 THR 26 -7.633 11.054 -1.897 185 HA PRO 27 HA PRO 27 -8.166 6.633 2.859 186 1HB PRO 27 HB2 PRO 27 -10.847 7.731 3.531 187 2HB PRO 27 HB1 PRO 27 -9.757 6.747 4.523 188 1HG PRO 27 HG1 PRO 27 -10.151 9.367 4.974 189 2HG PRO 27 HG2 PRO 27 -8.605 8.566 5.293 190 1HD PRO 27 HD1 PRO 27 -9.370 10.393 3.076 191 2HD PRO 27 HD2 PRO 27 -7.800 10.178 3.880 192 H GLY 28 HN GLY 28 -8.477 5.529 0.949 193 1HA GLY 28 HA2 GLY 28 -10.617 4.678 -0.294 194 2HA GLY 28 HA1 GLY 28 -10.733 6.360 -0.813 195 H THR 29 HN THR 29 -7.709 6.507 -0.890 196 HA THR 29 HA THR 29 -7.296 6.039 -3.650 197 HB THR 29 HB THR 29 -5.192 5.910 -1.468 198 HG1 THR 29 HG1 THR 29 -5.983 7.755 -0.884 199 1HG2 THR 29 HG21 THR 29 -3.807 6.015 -3.240 200 2HG2 THR 29 HG22 THR 29 -4.486 7.595 -3.632 201 3HG2 THR 29 HG23 THR 29 -5.178 6.137 -4.343 202 H ARG 30 HN ARG 30 -6.890 4.189 -4.790 203 HA ARG 30 HA ARG 30 -6.390 1.678 -3.243 204 1HB ARG 30 HB2 ARG 30 -7.460 2.220 -6.037 205 2HB ARG 30 HB1 ARG 30 -7.317 0.621 -5.308 206 1HG ARG 30 HG1 ARG 30 -8.676 2.256 -3.427 207 2HG ARG 30 HG2 ARG 30 -9.425 2.559 -4.994 208 1HD ARG 30 HD1 ARG 30 -8.967 -0.259 -4.792 209 2HD ARG 30 HD2 ARG 30 -9.770 0.276 -3.305 210 HE ARG 30 HE ARG 30 -10.903 1.478 -5.713 211 1HH1 ARG 30 HH22 ARG 30 -10.937 -1.284 -3.594 212 2HH1 ARG 30 HH21 ARG 30 -12.554 -1.726 -4.017 213 1HH2 ARG 30 HH12 ARG 30 -13.001 0.881 -6.246 214 2HH2 ARG 30 HH11 ARG 30 -13.715 -0.513 -5.506 215 H PHE 31 HN PHE 31 -4.576 0.411 -3.744 216 HA PHE 31 HA PHE 31 -2.230 1.566 -4.796 217 1HB PHE 31 HB1 PHE 31 -2.905 -0.719 -3.533 218 2HB PHE 31 HB2 PHE 31 -2.741 -1.359 -5.168 219 HD1 PHE 31 HD1 PHE 31 -0.581 -0.148 -6.434 220 HD2 PHE 31 HD2 PHE 31 -0.991 -0.971 -2.239 221 HE1 PHE 31 HE1 PHE 31 1.888 -0.148 -6.193 222 HE2 PHE 31 HE2 PHE 31 1.477 -0.971 -1.997 223 HZ PHE 31 HZ PHE 31 2.916 -0.560 -3.974 224 H GLU 32 HN GLU 32 -4.793 -0.245 -6.470 225 HA GLU 32 HA GLU 32 -3.560 -0.641 -8.980 226 1HB GLU 32 HB1 GLU 32 -5.722 -1.569 -8.345 227 2HB GLU 32 HB2 GLU 32 -6.414 0.046 -8.198 228 1HG GLU 32 HG2 GLU 32 -6.327 0.413 -10.541 229 2HG GLU 32 HG1 GLU 32 -5.210 -0.929 -10.791 230 H ASP 33 HN ASP 33 -4.775 2.285 -7.490 231 HA ASP 33 HA ASP 33 -4.524 3.810 -10.032 232 1HB ASP 33 HB1 ASP 33 -6.439 3.965 -8.295 233 2HB ASP 33 HB2 ASP 33 -5.281 4.826 -7.280 234 H ILE 34 HN ILE 34 -2.809 3.156 -7.071 235 HA ILE 34 HA ILE 34 -1.212 5.502 -6.837 236 HB ILE 34 HB ILE 34 -0.765 2.566 -6.205 237 1HG1 ILE 34 HG12 ILE 34 -1.587 4.981 -4.570 238 2HG1 ILE 34 HG11 ILE 34 -2.582 3.582 -4.960 239 1HG2 ILE 34 HG21 ILE 34 1.423 3.676 -6.422 240 2HG2 ILE 34 HG22 ILE 34 1.074 3.322 -4.730 241 3HG2 ILE 34 HG23 ILE 34 0.884 4.964 -5.344 242 1HD1 ILE 34 HD11 ILE 34 -1.875 3.051 -2.798 243 2HD1 ILE 34 HD12 ILE 34 -0.293 3.796 -3.023 244 3HD1 ILE 34 HD13 ILE 34 -0.649 2.239 -3.770 245 HA PRO 35 HA PRO 35 0.879 4.935 -10.798 246 1HB PRO 35 HB1 PRO 35 2.560 7.135 -10.444 247 2HB PRO 35 HB2 PRO 35 0.940 7.207 -11.160 248 1HG PRO 35 HG1 PRO 35 1.833 7.876 -8.408 249 2HG PRO 35 HG2 PRO 35 0.581 8.630 -9.404 250 1HD PRO 35 HD2 PRO 35 0.024 6.947 -7.352 251 2HD PRO 35 HD1 PRO 35 -1.012 7.095 -8.787 252 H ASP 36 HN ASP 36 3.591 5.581 -11.063 253 HA ASP 36 HA ASP 36 4.822 3.507 -9.325 254 1HB ASP 36 HB1 ASP 36 5.402 4.859 -11.952 255 2HB ASP 36 HB2 ASP 36 6.712 4.040 -11.101 256 H ASP 37 HN ASP 37 4.238 6.485 -8.600 257 HA ASP 37 HA ASP 37 7.031 7.366 -8.015 258 1HB ASP 37 HB2 ASP 37 5.306 8.828 -9.181 259 2HB ASP 37 HB1 ASP 37 4.390 8.829 -7.674 260 H TRP 38 HN TRP 38 3.990 6.424 -6.481 261 HA TRP 38 HA TRP 38 4.648 7.230 -3.798 262 1HB TRP 38 HB1 TRP 38 2.377 6.737 -4.576 263 2HB TRP 38 HB2 TRP 38 2.837 5.079 -4.959 264 HD1 TRP 38 HD1 TRP 38 2.255 7.412 -1.975 265 HE1 TRP 38 HE1 TRP 38 1.860 5.971 0.127 266 HE3 TRP 38 HE3 TRP 38 3.232 2.779 -3.885 267 HZ2 TRP 38 HZ2 TRP 38 1.948 3.217 0.896 268 HZ3 TRP 38 HZ3 TRP 38 3.071 0.767 -2.449 269 HH2 TRP 38 HH2 TRP 38 2.431 0.979 -0.063 270 H CYS 39 HN CYS 39 5.554 5.982 -2.097 271 HA CYS 39 HA CYS 39 6.574 3.262 -2.728 272 1HB CYS 39 HB1 CYS 39 8.216 5.712 -2.006 273 2HB CYS 39 HB2 CYS 39 8.850 4.070 -1.892 274 HG CYS 39 HG CYS 39 9.395 4.389 -4.295 275 H CYS 40 HN CYS 40 7.985 2.655 -0.550 276 HA CYS 40 HA CYS 40 6.018 2.729 1.613 277 1HB CYS 40 HB1 CYS 40 7.924 0.986 0.709 278 2HB CYS 40 HB2 CYS 40 8.768 1.713 2.075 279 HA PRO 41 HA PRO 41 7.771 6.284 3.585 280 1HB PRO 41 HB2 PRO 41 6.691 5.921 6.095 281 2HB PRO 41 HB1 PRO 41 5.771 6.554 4.719 282 1HG PRO 41 HG1 PRO 41 5.803 3.821 5.889 283 2HG PRO 41 HG2 PRO 41 4.457 4.737 5.199 284 1HD PRO 41 HD2 PRO 41 5.773 2.727 3.888 285 2HD PRO 41 HD1 PRO 41 4.931 4.059 3.068 286 H ASP 42 HN ASP 42 8.253 3.027 4.711 287 HA ASP 42 HA ASP 42 10.397 3.885 6.594 288 1HB ASP 42 HB2 ASP 42 8.399 2.009 6.720 289 2HB ASP 42 HB1 ASP 42 9.756 1.020 6.180 290 H CYS 43 HN CYS 43 9.917 2.439 3.456 291 HA CYS 43 HA CYS 43 12.846 1.810 3.306 292 1HB CYS 43 HB2 CYS 43 10.448 0.697 1.811 293 2HB CYS 43 HB1 CYS 43 12.116 0.188 1.554 294 H GLY 44 HN GLY 44 10.161 2.617 1.063 295 1HA GLY 44 HA1 GLY 44 10.151 4.648 -0.293 296 2HA GLY 44 HA2 GLY 44 11.906 4.721 -0.125 297 H ALA 45 HN ALA 45 10.045 1.817 -0.922 298 HA ALA 45 HA ALA 45 11.456 1.765 -3.567 299 1HB ALA 45 HB1 ALA 45 10.877 -0.784 -3.189 300 2HB ALA 45 HB2 ALA 45 10.645 -0.286 -1.513 301 3HB ALA 45 HB3 ALA 45 12.212 -0.062 -2.291 302 H THR 46 HN THR 46 10.219 0.800 -5.360 303 HA THR 46 HA THR 46 7.536 1.796 -5.580 304 HB THR 46 HB THR 46 7.617 0.617 -7.735 305 HG1 THR 46 HG1 THR 46 9.743 -0.736 -6.463 306 1HG2 THR 46 HG21 THR 46 10.478 1.346 -7.476 307 2HG2 THR 46 HG22 THR 46 9.331 2.582 -6.961 308 3HG2 THR 46 HG23 THR 46 9.261 1.944 -8.604 309 H LYS 47 HN LYS 47 6.148 -0.337 -6.784 310 HA LYS 47 HA LYS 47 5.000 -1.659 -4.499 311 1HB LYS 47 HB2 LYS 47 3.900 -1.040 -6.688 312 2HB LYS 47 HB1 LYS 47 4.804 -2.347 -7.452 313 1HG LYS 47 HG2 LYS 47 3.766 -3.962 -5.883 314 2HG LYS 47 HG1 LYS 47 2.837 -2.648 -5.162 315 1HD LYS 47 HD2 LYS 47 1.387 -3.690 -6.760 316 2HD LYS 47 HD1 LYS 47 1.927 -2.181 -7.497 317 1HE LYS 47 HE2 LYS 47 3.386 -3.285 -8.982 318 2HE LYS 47 HE1 LYS 47 3.450 -4.746 -7.977 319 1HZ LYS 47 HZ1 LYS 47 0.980 -4.909 -8.371 320 2HZ LYS 47 HZ2 LYS 47 1.949 -5.217 -9.730 321 3HZ LYS 47 HZ3 LYS 47 1.162 -3.721 -9.570 322 H GLU 48 HN GLU 48 7.832 -2.354 -6.289 323 HA GLU 48 HA GLU 48 7.927 -5.137 -6.529 324 1HB GLU 48 HB1 GLU 48 9.638 -3.372 -7.159 325 2HB GLU 48 HB2 GLU 48 10.130 -3.336 -5.466 326 1HG GLU 48 HG2 GLU 48 10.651 -5.752 -5.573 327 2HG GLU 48 HG1 GLU 48 10.173 -5.776 -7.271 328 H ASP 49 HN ASP 49 8.500 -3.188 -3.592 329 HA ASP 49 HA ASP 49 9.019 -5.596 -1.975 330 1HB ASP 49 HB2 ASP 49 9.336 -3.893 -0.204 331 2HB ASP 49 HB1 ASP 49 10.215 -3.445 -1.665 332 H TYR 50 HN TYR 50 6.266 -3.711 -2.890 333 HA TYR 50 HA TYR 50 4.690 -4.462 -0.506 334 1HB TYR 50 HB1 TYR 50 4.577 -2.610 -2.805 335 2HB TYR 50 HB2 TYR 50 3.011 -3.259 -2.325 336 HD1 TYR 50 HD1 TYR 50 2.380 -3.148 0.167 337 HD2 TYR 50 HD2 TYR 50 5.586 -0.878 -1.566 338 HE1 TYR 50 HE1 TYR 50 2.327 -1.596 2.102 339 HE2 TYR 50 HE2 TYR 50 5.533 0.675 0.368 340 HH TYR 50 HH TYR 50 3.598 0.010 3.203 341 H VAL 51 HN VAL 51 3.090 -6.019 -0.502 342 HA VAL 51 HA VAL 51 2.392 -7.371 -3.074 343 HB VAL 51 HB VAL 51 2.743 -9.550 -1.907 344 1HG1 VAL 51 HG11 VAL 51 5.289 -8.013 -1.525 345 2HG1 VAL 51 HG12 VAL 51 4.591 -8.117 -3.141 346 3HG1 VAL 51 HG13 VAL 51 5.037 -9.588 -2.278 347 1HG2 VAL 51 HG21 VAL 51 2.773 -9.517 0.347 348 2HG2 VAL 51 HG22 VAL 51 2.961 -7.763 0.370 349 3HG2 VAL 51 HG23 VAL 51 4.382 -8.803 0.251 350 H LEU 52 HN LEU 52 0.412 -8.755 -2.787 351 HA LEU 52 HA LEU 52 -1.690 -7.345 -1.451 352 1HB LEU 52 HB2 LEU 52 -1.895 -8.785 -3.454 353 2HB LEU 52 HB1 LEU 52 -1.516 -10.194 -2.472 354 HG LEU 52 HG LEU 52 -3.605 -10.247 -1.489 355 1HD1 LEU 52 HD11 LEU 52 -5.096 -8.111 -1.446 356 2HD1 LEU 52 HD12 LEU 52 -3.600 -7.241 -1.783 357 3HD1 LEU 52 HD13 LEU 52 -3.749 -8.203 -0.312 358 1HD2 LEU 52 HD21 LEU 52 -5.321 -9.490 -3.176 359 2HD2 LEU 52 HD22 LEU 52 -4.025 -10.481 -3.846 360 3HD2 LEU 52 HD23 LEU 52 -4.003 -8.732 -4.069 361 H TYR 53 HN TYR 53 -2.139 -7.351 0.708 362 HA TYR 53 HA TYR 53 -0.847 -9.186 2.553 363 1HB TYR 53 HB2 TYR 53 -1.448 -6.796 2.998 364 2HB TYR 53 HB1 TYR 53 -3.155 -7.236 2.926 365 HD1 TYR 53 HD1 TYR 53 -4.256 -8.080 4.832 366 HD2 TYR 53 HD2 TYR 53 0.036 -8.031 4.701 367 HE1 TYR 53 HE1 TYR 53 -4.176 -8.776 7.210 368 HE2 TYR 53 HE2 TYR 53 0.118 -8.729 7.079 369 HH TYR 53 HH TYR 53 -1.361 -9.915 8.698 370 H GLU 54 HN GLU 54 -1.539 -11.272 2.797 371 HA GLU 54 HA GLU 54 -4.493 -11.783 2.815 372 1HB GLU 54 HB2 GLU 54 -2.712 -12.490 0.818 373 2HB GLU 54 HB1 GLU 54 -2.758 -13.947 1.811 374 1HG GLU 54 HG1 GLU 54 -5.237 -13.929 1.689 375 2HG GLU 54 HG2 GLU 54 -5.163 -12.505 0.651 376 H GLU 55 HN GLU 55 -4.889 -14.060 3.807 377 HA GLU 55 HA GLU 55 -3.808 -14.140 6.463 378 1HB GLU 55 HB2 GLU 55 -5.234 -16.248 4.797 379 2HB GLU 55 HB1 GLU 55 -5.105 -16.253 6.555 380 1HG GLU 55 HG1 GLU 55 -6.119 -13.787 6.230 381 2HG GLU 55 HG2 GLU 55 -6.777 -14.541 4.778 382 H LYS 56 HN LYS 56 -3.201 -16.808 6.947 383 HA LYS 56 HA LYS 56 -0.497 -17.012 5.743 384 1HB LYS 56 HB1 LYS 56 -1.383 -17.217 8.273 385 2HB LYS 56 HB2 LYS 56 -1.573 -18.906 7.799 386 1HG LYS 56 HG1 LYS 56 0.670 -19.260 7.739 387 2HG LYS 56 HG2 LYS 56 0.984 -17.710 6.957 388 1HD LYS 56 HD1 LYS 56 0.833 -16.541 9.065 389 2HD LYS 56 HD2 LYS 56 0.272 -17.996 9.890 390 1HE LYS 56 HE1 LYS 56 2.459 -18.400 10.379 391 2HE LYS 56 HE2 LYS 56 2.679 -18.765 8.657 392 1HZ LYS 56 HZ1 LYS 56 2.790 -16.246 8.377 393 2HZ LYS 56 HZ2 LYS 56 4.145 -17.002 9.070 394 3HZ LYS 56 HZ3 LYS 56 3.035 -16.178 10.056 Start of MODEL 20 1 H ALA 1 HT1 ALA 1 -15.866 -3.051 -0.805 2 HA ALA 1 HA ALA 1 -14.432 -2.331 1.069 3 1HB ALA 1 HB1 ALA 1 -13.424 -4.570 1.206 4 2HB ALA 1 HB2 ALA 1 -13.562 -4.760 -0.542 5 3HB ALA 1 HB3 ALA 1 -15.015 -4.689 0.455 6 H TYR 2 HN TYR 2 -12.004 -2.621 1.697 7 HA TYR 2 HA TYR 2 -10.323 -1.315 -0.419 8 1HB TYR 2 HB2 TYR 2 -10.494 -1.087 2.597 9 2HB TYR 2 HB1 TYR 2 -9.110 -0.465 1.700 10 HD1 TYR 2 HD1 TYR 2 -11.812 0.729 3.260 11 HD2 TYR 2 HD2 TYR 2 -10.241 0.614 -0.735 12 HE1 TYR 2 HE1 TYR 2 -13.100 2.772 2.695 13 HE2 TYR 2 HE2 TYR 2 -11.529 2.657 -1.301 14 HH TYR 2 HH TYR 2 -13.456 3.880 -0.544 15 H LEU 3 HN LEU 3 -8.394 -2.297 -0.924 16 HA LEU 3 HA LEU 3 -7.864 -4.972 0.150 17 1HB LEU 3 HB1 LEU 3 -7.126 -3.251 -2.108 18 2HB LEU 3 HB2 LEU 3 -5.754 -4.176 -1.497 19 HG LEU 3 HG LEU 3 -7.092 -6.253 -1.662 20 1HD1 LEU 3 HD11 LEU 3 -9.171 -4.531 -3.040 21 2HD1 LEU 3 HD12 LEU 3 -9.302 -5.047 -1.358 22 3HD1 LEU 3 HD13 LEU 3 -9.290 -6.248 -2.651 23 1HD2 LEU 3 HD21 LEU 3 -6.248 -4.573 -3.876 24 2HD2 LEU 3 HD22 LEU 3 -7.572 -5.632 -4.357 25 3HD2 LEU 3 HD23 LEU 3 -6.095 -6.319 -3.683 26 H LYS 4 HN LYS 4 -5.621 -5.531 0.905 27 HA LYS 4 HA LYS 4 -4.241 -3.264 2.288 28 1HB LYS 4 HB1 LYS 4 -5.252 -5.902 3.381 29 2HB LYS 4 HB2 LYS 4 -4.011 -4.969 4.216 30 1HG LYS 4 HG1 LYS 4 -5.801 -3.003 3.790 31 2HG LYS 4 HG2 LYS 4 -6.907 -4.376 3.849 32 1HD LYS 4 HD1 LYS 4 -4.845 -3.687 5.966 33 2HD LYS 4 HD2 LYS 4 -6.579 -3.395 6.095 34 1HE LYS 4 HE2 LYS 4 -6.208 -6.136 5.348 35 2HE LYS 4 HE1 LYS 4 -5.163 -5.793 6.739 36 1HZ LYS 4 HZ1 LYS 4 -6.976 -4.906 7.941 37 2HZ LYS 4 HZ2 LYS 4 -7.554 -6.356 7.273 38 3HZ LYS 4 HZ3 LYS 4 -7.980 -4.871 6.571 39 H TRP 5 HN TRP 5 -2.054 -3.343 1.908 40 HA TRP 5 HA TRP 5 -0.939 -5.862 0.725 41 1HB TRP 5 HB2 TRP 5 0.079 -2.995 0.699 42 2HB TRP 5 HB1 TRP 5 0.740 -4.334 -0.232 43 HD1 TRP 5 HD1 TRP 5 -2.693 -2.580 0.175 44 HE1 TRP 5 HE1 TRP 5 -3.808 -2.478 -2.145 45 HE3 TRP 5 HE3 TRP 5 0.820 -5.036 -2.596 46 HZ2 TRP 5 HZ2 TRP 5 -3.280 -3.329 -4.827 47 HZ3 TRP 5 HZ3 TRP 5 0.491 -5.377 -5.028 48 HH2 TRP 5 HH2 TRP 5 -1.550 -4.528 -6.147 49 H ILE 6 HN ILE 6 1.513 -6.072 1.267 50 HA ILE 6 HA ILE 6 2.110 -5.188 4.048 51 HB ILE 6 HB ILE 6 1.190 -7.417 4.285 52 1HG1 ILE 6 HG12 ILE 6 3.057 -8.656 5.197 53 2HG1 ILE 6 HG11 ILE 6 4.200 -7.782 4.183 54 1HG2 ILE 6 HG21 ILE 6 2.452 -7.777 1.692 55 2HG2 ILE 6 HG22 ILE 6 1.172 -8.728 2.447 56 3HG2 ILE 6 HG23 ILE 6 2.864 -9.099 2.783 57 1HD1 ILE 6 HD11 ILE 6 4.385 -6.150 5.719 58 2HD1 ILE 6 HD12 ILE 6 3.369 -7.108 6.797 59 3HD1 ILE 6 HD13 ILE 6 2.641 -5.911 5.732 60 H CYS 7 HN CYS 7 4.137 -4.344 4.112 61 HA CYS 7 HA CYS 7 5.915 -4.513 1.805 62 1HB CYS 7 HB2 CYS 7 5.509 -2.575 3.454 63 2HB CYS 7 HB1 CYS 7 6.498 -3.485 4.598 64 H ILE 8 HN ILE 8 6.361 -6.855 1.735 65 HA ILE 8 HA ILE 8 7.234 -8.510 3.812 66 HB ILE 8 HB ILE 8 8.341 -9.777 2.023 67 1HG1 ILE 8 HG11 ILE 8 7.970 -7.291 0.330 68 2HG1 ILE 8 HG12 ILE 8 9.509 -7.820 1.004 69 1HG2 ILE 8 HG21 ILE 8 5.751 -9.379 2.148 70 2HG2 ILE 8 HG22 ILE 8 6.435 -10.163 0.726 71 3HG2 ILE 8 HG23 ILE 8 6.006 -8.453 0.669 72 1HD1 ILE 8 HD11 ILE 8 8.171 -8.735 -1.384 73 2HD1 ILE 8 HD12 ILE 8 8.384 -10.082 -0.264 74 3HD1 ILE 8 HD13 ILE 8 9.781 -9.147 -0.795 75 H THR 9 HN THR 9 8.925 -5.876 2.270 76 HA THR 9 HA THR 9 11.600 -6.500 3.143 77 HB THR 9 HB THR 9 10.108 -3.967 2.363 78 HG1 THR 9 HG1 THR 9 12.019 -5.539 0.985 79 1HG2 THR 9 HG21 THR 9 11.917 -3.053 3.514 80 2HG2 THR 9 HG22 THR 9 12.589 -3.223 1.892 81 3HG2 THR 9 HG23 THR 9 12.975 -4.413 3.136 82 H CYS 10 HN CYS 10 8.829 -4.929 4.662 83 HA CYS 10 HA CYS 10 10.499 -4.462 7.104 84 1HB CYS 10 HB2 CYS 10 8.138 -2.943 6.016 85 2HB CYS 10 HB1 CYS 10 8.992 -2.539 7.498 86 H GLY 11 HN GLY 11 7.125 -5.013 6.024 87 1HA GLY 11 HA2 GLY 11 6.004 -7.029 7.036 88 2HA GLY 11 HA1 GLY 11 6.699 -6.521 8.573 89 H HIS 12 HN HIS 12 5.933 -3.659 7.200 90 HA HIS 12 HA HIS 12 3.539 -3.326 8.824 91 1HB HIS 12 HB1 HIS 12 5.417 -1.743 7.178 92 2HB HIS 12 HB2 HIS 12 3.771 -1.110 7.198 93 HD1 HIS 12 HD1 HIS 12 2.717 -0.875 9.732 94 HD2 HIS 12 HD2 HIS 12 6.870 -1.066 9.432 95 HE1 HIS 12 HE1 HIS 12 3.634 0.009 11.920 96 H ILE 13 HN ILE 13 1.416 -3.343 8.134 97 HA ILE 13 HA ILE 13 0.912 -4.232 5.350 98 HB ILE 13 HB ILE 13 -0.655 -4.121 7.942 99 1HG1 ILE 13 HG11 ILE 13 -0.551 -6.615 6.432 100 2HG1 ILE 13 HG12 ILE 13 1.058 -5.999 6.804 101 1HG2 ILE 13 HG21 ILE 13 -1.684 -4.947 5.208 102 2HG2 ILE 13 HG22 ILE 13 -2.240 -3.562 6.147 103 3HG2 ILE 13 HG23 ILE 13 -2.534 -5.200 6.733 104 1HD1 ILE 13 HD11 ILE 13 -1.139 -6.208 8.875 105 2HD1 ILE 13 HD12 ILE 13 0.581 -5.931 9.155 106 3HD1 ILE 13 HD13 ILE 13 0.021 -7.504 8.583 107 H TYR 14 HN TYR 14 0.182 -2.811 3.830 108 HA TYR 14 HA TYR 14 -0.403 -0.028 4.535 109 1HB TYR 14 HB1 TYR 14 0.834 -0.622 2.507 110 2HB TYR 14 HB2 TYR 14 -0.491 -1.649 1.962 111 HD1 TYR 14 HD1 TYR 14 0.303 1.877 2.910 112 HD2 TYR 14 HD2 TYR 14 -2.212 -0.749 0.621 113 HE1 TYR 14 HE1 TYR 14 -0.755 3.839 1.823 114 HE2 TYR 14 HE2 TYR 14 -3.270 1.213 -0.466 115 HH TYR 14 HH TYR 14 -3.615 3.709 0.180 116 H ASP 15 HN ASP 15 -2.415 0.627 5.148 117 HA ASP 15 HA ASP 15 -4.762 -1.093 4.517 118 1HB ASP 15 HB2 ASP 15 -4.076 -0.229 6.855 119 2HB ASP 15 HB1 ASP 15 -4.618 1.355 6.299 120 H GLU 16 HN GLU 16 -5.503 -0.512 2.484 121 HA GLU 16 HA GLU 16 -5.306 1.906 1.123 122 1HB GLU 16 HB2 GLU 16 -7.230 -0.389 1.228 123 2HB GLU 16 HB1 GLU 16 -7.661 1.004 0.240 124 1HG GLU 16 HG1 GLU 16 -5.264 0.793 -0.728 125 2HG GLU 16 HG2 GLU 16 -5.281 -0.824 -0.026 126 H ALA 17 HN ALA 17 -7.395 1.140 3.835 127 HA ALA 17 HA ALA 17 -9.065 3.548 3.434 128 1HB ALA 17 HB1 ALA 17 -10.380 2.590 5.163 129 2HB ALA 17 HB2 ALA 17 -9.008 1.705 5.830 130 3HB ALA 17 HB3 ALA 17 -9.738 1.187 4.310 131 H LEU 18 HN LEU 18 -6.020 3.462 4.215 132 HA LEU 18 HA LEU 18 -6.033 5.810 5.876 133 1HB LEU 18 HB1 LEU 18 -6.711 3.647 7.305 134 2HB LEU 18 HB2 LEU 18 -4.962 3.424 7.347 135 HG LEU 18 HG LEU 18 -5.151 6.086 7.914 136 1HD1 LEU 18 HD21 LEU 18 -7.625 5.963 7.962 137 2HD1 LEU 18 HD22 LEU 18 -6.968 6.371 9.547 138 3HD1 LEU 18 HD23 LEU 18 -7.531 4.731 9.219 139 1HD2 LEU 18 HD11 LEU 18 -4.350 5.479 10.006 140 2HD2 LEU 18 HD12 LEU 18 -4.087 3.975 9.121 141 3HD2 LEU 18 HD13 LEU 18 -5.494 4.147 10.172 142 H GLY 19 HN GLY 19 -4.701 5.366 3.549 143 1HA GLY 19 HA1 GLY 19 -2.120 4.162 3.755 144 2HA GLY 19 HA2 GLY 19 -2.581 5.365 2.553 145 H ASP 20 HN ASP 20 -0.899 6.798 2.641 146 HA ASP 20 HA ASP 20 0.252 7.624 5.226 147 1HB ASP 20 HB2 ASP 20 1.699 7.145 3.334 148 2HB ASP 20 HB1 ASP 20 0.780 8.232 2.294 149 H GLU 21 HN GLU 21 0.526 10.019 5.623 150 HA GLU 21 HA GLU 21 -1.977 11.478 4.876 151 1HB GLU 21 HB1 GLU 21 -0.366 11.087 7.274 152 2HB GLU 21 HB2 GLU 21 -0.608 12.804 6.949 153 1HG GLU 21 HG1 GLU 21 -3.110 11.768 6.454 154 2HG GLU 21 HG2 GLU 21 -2.553 10.760 7.790 155 H ALA 22 HN ALA 22 1.522 11.574 4.711 156 HA ALA 22 HA ALA 22 1.778 14.386 4.057 157 1HB ALA 22 HB1 ALA 22 3.589 12.951 4.954 158 2HB ALA 22 HB2 ALA 22 4.064 13.647 3.405 159 3HB ALA 22 HB3 ALA 22 3.536 11.967 3.492 160 H GLU 23 HN GLU 23 2.052 11.447 2.004 161 HA GLU 23 HA GLU 23 2.106 12.811 -0.496 162 1HB GLU 23 HB1 GLU 23 2.650 10.390 0.071 163 2HB GLU 23 HB2 GLU 23 0.914 10.086 0.107 164 1HG GLU 23 HG2 GLU 23 1.467 9.542 -2.106 165 2HG GLU 23 HG1 GLU 23 0.938 11.218 -2.257 166 H GLY 24 HN GLY 24 -0.519 12.112 1.687 167 1HA GLY 24 HA2 GLY 24 -2.647 13.258 1.528 168 2HA GLY 24 HA1 GLY 24 -2.392 13.428 -0.208 169 H PHE 25 HN PHE 25 -1.794 10.389 1.445 170 HA PHE 25 HA PHE 25 -3.598 8.971 -0.329 171 1HB PHE 25 HB2 PHE 25 -1.606 8.482 1.795 172 2HB PHE 25 HB1 PHE 25 -2.896 7.285 1.757 173 HD1 PHE 25 HD1 PHE 25 -1.945 9.012 -1.358 174 HD2 PHE 25 HD2 PHE 25 -1.290 5.549 1.094 175 HE1 PHE 25 HE1 PHE 25 -0.840 7.872 -3.262 176 HE2 PHE 25 HE2 PHE 25 -0.188 4.406 -0.811 177 HZ PHE 25 HZ PHE 25 0.035 5.565 -2.991 178 H THR 26 HN THR 26 -5.551 10.315 0.337 179 HA THR 26 HA THR 26 -6.722 10.205 2.919 180 HB THR 26 HB THR 26 -7.289 11.661 0.945 181 HG1 THR 26 HG1 THR 26 -8.916 11.888 2.247 182 1HG2 THR 26 HG21 THR 26 -9.240 9.862 -0.204 183 2HG2 THR 26 HG22 THR 26 -7.623 9.172 -0.318 184 3HG2 THR 26 HG23 THR 26 -7.954 10.762 -1.005 185 HA PRO 27 HA PRO 27 -8.083 6.072 3.525 186 1HB PRO 27 HB2 PRO 27 -10.765 7.222 4.175 187 2HB PRO 27 HB1 PRO 27 -9.740 6.147 5.144 188 1HG PRO 27 HG2 PRO 27 -9.998 8.752 5.705 189 2HG PRO 27 HG1 PRO 27 -8.484 7.877 5.971 190 1HD PRO 27 HD1 PRO 27 -9.182 9.851 3.868 191 2HD PRO 27 HD2 PRO 27 -7.609 9.490 4.609 192 H GLY 28 HN GLY 28 -8.128 5.362 1.325 193 1HA GLY 28 HA2 GLY 28 -10.336 4.313 0.169 194 2HA GLY 28 HA1 GLY 28 -10.479 5.997 -0.335 195 H THR 29 HN THR 29 -7.405 6.101 -0.325 196 HA THR 29 HA THR 29 -7.013 5.635 -3.125 197 HB THR 29 HB THR 29 -4.959 5.801 -0.890 198 HG1 THR 29 HG1 THR 29 -5.386 7.866 -0.759 199 1HG2 THR 29 HG21 THR 29 -4.523 5.366 -3.526 200 2HG2 THR 29 HG22 THR 29 -3.418 6.294 -2.512 201 3HG2 THR 29 HG23 THR 29 -4.597 7.128 -3.523 202 H ARG 30 HN ARG 30 -6.528 3.754 -4.177 203 HA ARG 30 HA ARG 30 -5.600 1.425 -2.531 204 1HB ARG 30 HB1 ARG 30 -6.824 0.060 -4.171 205 2HB ARG 30 HB2 ARG 30 -7.894 1.307 -3.532 206 1HG ARG 30 HG2 ARG 30 -6.694 2.558 -5.700 207 2HG ARG 30 HG1 ARG 30 -6.928 0.906 -6.269 208 1HD ARG 30 HD1 ARG 30 -9.312 1.565 -4.908 209 2HD ARG 30 HD2 ARG 30 -8.913 2.982 -5.896 210 HE ARG 30 HE ARG 30 -8.406 0.835 -7.578 211 1HH1 ARG 30 HH22 ARG 30 -11.134 1.892 -5.690 212 2HH1 ARG 30 HH21 ARG 30 -12.291 1.201 -6.775 213 1HH2 ARG 30 HH12 ARG 30 -9.929 -0.052 -8.970 214 2HH2 ARG 30 HH11 ARG 30 -11.617 0.110 -8.618 215 H PHE 31 HN PHE 31 -3.837 0.222 -3.341 216 HA PHE 31 HA PHE 31 -1.767 1.432 -4.762 217 1HB PHE 31 HB1 PHE 31 -2.494 -1.130 -3.745 218 2HB PHE 31 HB2 PHE 31 -1.901 -1.380 -5.388 219 HD1 PHE 31 HD1 PHE 31 -1.034 0.749 -2.413 220 HD2 PHE 31 HD2 PHE 31 0.378 -1.764 -5.597 221 HE1 PHE 31 HE1 PHE 31 1.295 1.048 -1.616 222 HE2 PHE 31 HE2 PHE 31 2.707 -1.465 -4.801 223 HZ PHE 31 HZ PHE 31 3.166 -0.059 -2.811 224 H GLU 32 HN GLU 32 -4.304 -0.701 -6.136 225 HA GLU 32 HA GLU 32 -3.498 -0.783 -8.816 226 1HB GLU 32 HB1 GLU 32 -5.385 -2.010 -7.865 227 2HB GLU 32 HB2 GLU 32 -6.261 -0.508 -7.583 228 1HG GLU 32 HG2 GLU 32 -6.010 -0.121 -10.132 229 2HG GLU 32 HG1 GLU 32 -5.599 -1.834 -10.213 230 H ASP 33 HN ASP 33 -5.097 1.837 -7.060 231 HA ASP 33 HA ASP 33 -5.299 3.477 -9.525 232 1HB ASP 33 HB1 ASP 33 -6.996 3.178 -7.523 233 2HB ASP 33 HB2 ASP 33 -5.964 4.362 -6.722 234 H ILE 34 HN ILE 34 -2.748 2.703 -7.725 235 HA ILE 34 HA ILE 34 -1.726 5.518 -7.529 236 HB ILE 34 HB ILE 34 -1.041 2.968 -6.021 237 1HG1 ILE 34 HG12 ILE 34 -2.155 5.569 -4.962 238 2HG1 ILE 34 HG11 ILE 34 -3.191 4.242 -5.482 239 1HG2 ILE 34 HG21 ILE 34 0.865 3.933 -5.295 240 2HG2 ILE 34 HG22 ILE 34 0.028 5.441 -4.930 241 3HG2 ILE 34 HG23 ILE 34 0.642 5.146 -6.556 242 1HD1 ILE 34 HD11 ILE 34 -2.393 4.445 -2.949 243 2HD1 ILE 34 HD12 ILE 34 -0.958 3.634 -3.580 244 3HD1 ILE 34 HD13 ILE 34 -2.542 2.870 -3.727 245 HA PRO 35 HA PRO 35 0.693 3.046 -10.717 246 1HB PRO 35 HB1 PRO 35 0.329 4.818 -12.799 247 2HB PRO 35 HB2 PRO 35 -0.735 3.432 -12.498 248 1HG PRO 35 HG1 PRO 35 -1.123 6.308 -11.831 249 2HG PRO 35 HG2 PRO 35 -2.300 5.112 -12.390 250 1HD PRO 35 HD1 PRO 35 -2.082 5.910 -9.793 251 2HD PRO 35 HD2 PRO 35 -2.670 4.306 -10.279 252 H ASP 36 HN ASP 36 0.602 6.252 -9.431 253 HA ASP 36 HA ASP 36 2.858 7.462 -10.657 254 1HB ASP 36 HB1 ASP 36 0.994 8.125 -8.795 255 2HB ASP 36 HB2 ASP 36 2.383 7.855 -7.742 256 H ASP 37 HN ASP 37 4.608 8.013 -8.496 257 HA ASP 37 HA ASP 37 6.010 5.381 -8.267 258 1HB ASP 37 HB1 ASP 37 8.011 6.848 -8.004 259 2HB ASP 37 HB2 ASP 37 7.134 7.207 -9.490 260 H TRP 38 HN TRP 38 3.888 6.032 -6.405 261 HA TRP 38 HA TRP 38 4.745 7.207 -3.968 262 1HB TRP 38 HB1 TRP 38 2.427 6.620 -4.468 263 2HB TRP 38 HB2 TRP 38 2.848 4.913 -4.594 264 HD1 TRP 38 HD1 TRP 38 2.300 7.694 -2.047 265 HE1 TRP 38 HE1 TRP 38 2.134 6.650 0.306 266 HE3 TRP 38 HE3 TRP 38 3.582 2.870 -3.125 267 HZ2 TRP 38 HZ2 TRP 38 2.493 4.108 1.563 268 HZ3 TRP 38 HZ3 TRP 38 3.662 1.159 -1.334 269 HH2 TRP 38 HH2 TRP 38 3.119 1.772 1.006 270 H CYS 39 HN CYS 39 5.795 6.323 -2.137 271 HA CYS 39 HA CYS 39 6.876 3.545 -2.408 272 1HB CYS 39 HB2 CYS 39 8.250 6.196 -2.080 273 2HB CYS 39 HB1 CYS 39 8.977 4.777 -1.332 274 HG CYS 39 HG CYS 39 8.800 3.680 -3.841 275 H CYS 40 HN CYS 40 8.105 3.104 -0.149 276 HA CYS 40 HA CYS 40 6.090 3.134 1.909 277 1HB CYS 40 HB1 CYS 40 8.499 1.852 1.303 278 2HB CYS 40 HB2 CYS 40 8.870 2.762 2.769 279 HA PRO 41 HA PRO 41 6.845 7.089 3.659 280 1HB PRO 41 HB1 PRO 41 6.125 6.593 6.283 281 2HB PRO 41 HB2 PRO 41 4.962 6.843 4.968 282 1HG PRO 41 HG2 PRO 41 5.888 4.317 6.232 283 2HG PRO 41 HG1 PRO 41 4.284 4.756 5.629 284 1HD PRO 41 HD1 PRO 41 6.013 3.136 4.282 285 2HD PRO 41 HD2 PRO 41 4.788 4.141 3.481 286 H ASP 42 HN ASP 42 8.694 4.365 4.506 287 HA ASP 42 HA ASP 42 10.779 6.110 5.666 288 1HB ASP 42 HB2 ASP 42 9.113 4.115 7.150 289 2HB ASP 42 HB1 ASP 42 10.820 4.223 7.576 290 H CYS 43 HN CYS 43 10.499 4.342 3.262 291 HA CYS 43 HA CYS 43 12.935 2.694 3.772 292 1HB CYS 43 HB2 CYS 43 10.441 1.741 2.327 293 2HB CYS 43 HB1 CYS 43 11.887 0.790 2.645 294 H GLY 44 HN GLY 44 10.617 3.494 1.151 295 1HA GLY 44 HA1 GLY 44 11.228 4.890 -0.753 296 2HA GLY 44 HA2 GLY 44 12.920 4.487 -0.458 297 H ALA 45 HN ALA 45 10.472 2.000 -0.324 298 HA ALA 45 HA ALA 45 11.723 0.714 -2.704 299 1HB ALA 45 HB1 ALA 45 11.601 -1.003 -1.219 300 2HB ALA 45 HB2 ALA 45 9.858 -1.000 -1.488 301 3HB ALA 45 HB3 ALA 45 10.547 -0.078 -0.151 302 H THR 46 HN THR 46 9.980 -0.689 -3.957 303 HA THR 46 HA THR 46 7.672 1.122 -4.590 304 HB THR 46 HB THR 46 7.883 0.241 -6.853 305 HG1 THR 46 HG1 THR 46 9.421 -1.382 -7.276 306 1HG2 THR 46 HG21 THR 46 10.729 0.441 -6.632 307 2HG2 THR 46 HG22 THR 46 10.003 1.583 -5.502 308 3HG2 THR 46 HG23 THR 46 9.591 1.655 -7.216 309 H LYS 47 HN LYS 47 6.166 -0.652 -6.093 310 HA LYS 47 HA LYS 47 4.639 -2.116 -4.264 311 1HB LYS 47 HB1 LYS 47 3.928 -3.263 -6.387 312 2HB LYS 47 HB2 LYS 47 3.892 -1.522 -6.504 313 1HG LYS 47 HG2 LYS 47 6.440 -2.071 -7.352 314 2HG LYS 47 HG1 LYS 47 5.593 -3.514 -7.897 315 1HD LYS 47 HD1 LYS 47 4.998 -2.260 -9.690 316 2HD LYS 47 HD2 LYS 47 3.837 -1.508 -8.597 317 1HE LYS 47 HE1 LYS 47 5.052 0.434 -8.450 318 2HE LYS 47 HE2 LYS 47 6.606 -0.422 -8.481 319 1HZ LYS 47 HZ1 LYS 47 6.292 -0.879 -10.818 320 2HZ LYS 47 HZ2 LYS 47 6.163 0.795 -10.564 321 3HZ LYS 47 HZ3 LYS 47 4.764 -0.137 -10.803 322 H GLU 48 HN GLU 48 7.522 -3.025 -6.062 323 HA GLU 48 HA GLU 48 7.559 -5.812 -5.856 324 1HB GLU 48 HB1 GLU 48 9.256 -3.944 -6.717 325 2HB GLU 48 HB2 GLU 48 10.012 -4.231 -5.149 326 1HG GLU 48 HG1 GLU 48 9.274 -6.699 -6.566 327 2HG GLU 48 HG2 GLU 48 10.472 -5.727 -7.420 328 H ASP 49 HN ASP 49 8.179 -3.427 -3.311 329 HA ASP 49 HA ASP 49 8.948 -5.477 -1.338 330 1HB ASP 49 HB2 ASP 49 8.557 -2.487 -1.445 331 2HB ASP 49 HB1 ASP 49 8.715 -3.291 0.116 332 H TYR 50 HN TYR 50 6.076 -3.744 -2.358 333 HA TYR 50 HA TYR 50 4.525 -4.586 0.016 334 1HB TYR 50 HB1 TYR 50 4.259 -2.778 -2.360 335 2HB TYR 50 HB2 TYR 50 2.779 -3.364 -1.612 336 HD1 TYR 50 HD1 TYR 50 5.459 -0.999 -1.410 337 HD2 TYR 50 HD2 TYR 50 2.531 -3.084 0.938 338 HE1 TYR 50 HE1 TYR 50 5.724 0.679 0.406 339 HE2 TYR 50 HE2 TYR 50 2.789 -1.410 2.752 340 HH TYR 50 HH TYR 50 3.567 1.115 2.821 341 H VAL 51 HN VAL 51 3.337 -6.459 -0.012 342 HA VAL 51 HA VAL 51 2.760 -7.714 -2.678 343 HB VAL 51 HB VAL 51 3.355 -8.912 0.054 344 1HG1 VAL 51 HG21 VAL 51 2.616 -10.208 -2.585 345 2HG1 VAL 51 HG22 VAL 51 1.741 -10.327 -1.058 346 3HG1 VAL 51 HG23 VAL 51 3.323 -11.087 -1.230 347 1HG2 VAL 51 HG11 VAL 51 4.885 -9.092 -2.557 348 2HG2 VAL 51 HG12 VAL 51 5.394 -9.715 -0.989 349 3HG2 VAL 51 HG13 VAL 51 5.287 -7.975 -1.253 350 H LEU 52 HN LEU 52 0.728 -8.991 -2.726 351 HA LEU 52 HA LEU 52 -1.466 -7.591 -1.415 352 1HB LEU 52 HB2 LEU 52 -1.121 -8.871 -3.752 353 2HB LEU 52 HB1 LEU 52 -1.762 -10.217 -2.821 354 HG LEU 52 HG LEU 52 -3.587 -9.009 -3.937 355 1HD1 LEU 52 HD11 LEU 52 -3.478 -8.507 -0.951 356 2HD1 LEU 52 HD12 LEU 52 -4.038 -9.985 -1.731 357 3HD1 LEU 52 HD13 LEU 52 -4.944 -8.485 -1.931 358 1HD2 LEU 52 HD21 LEU 52 -3.943 -6.700 -3.713 359 2HD2 LEU 52 HD22 LEU 52 -2.187 -6.804 -3.828 360 3HD2 LEU 52 HD23 LEU 52 -2.956 -6.594 -2.255 361 H TYR 53 HN TYR 53 -1.568 -7.981 0.790 362 HA TYR 53 HA TYR 53 -0.860 -10.379 2.136 363 1HB TYR 53 HB2 TYR 53 -1.412 -7.943 2.929 364 2HB TYR 53 HB1 TYR 53 -3.074 -8.528 3.024 365 HD1 TYR 53 HD1 TYR 53 -3.797 -9.750 4.899 366 HD2 TYR 53 HD2 TYR 53 0.409 -9.331 4.137 367 HE1 TYR 53 HE1 TYR 53 -3.295 -10.822 7.079 368 HE2 TYR 53 HE2 TYR 53 0.910 -10.404 6.315 369 HH TYR 53 HH TYR 53 -1.491 -12.010 8.169 370 H GLU 54 HN GLU 54 -1.765 -12.265 1.241 371 HA GLU 54 HA GLU 54 -3.431 -13.868 0.760 372 1HB GLU 54 HB1 GLU 54 -3.586 -13.175 3.289 373 2HB GLU 54 HB2 GLU 54 -5.081 -12.376 2.800 374 1HG GLU 54 HG2 GLU 54 -5.891 -14.484 3.351 375 2HG GLU 54 HG1 GLU 54 -5.559 -14.707 1.632 376 H GLU 55 HN GLU 55 -3.843 -12.824 -1.387 377 HA GLU 55 HA GLU 55 -5.927 -10.849 -1.723 378 1HB GLU 55 HB1 GLU 55 -5.689 -11.561 -4.115 379 2HB GLU 55 HB2 GLU 55 -4.128 -11.259 -3.349 380 1HG GLU 55 HG1 GLU 55 -4.639 -13.940 -2.783 381 2HG GLU 55 HG2 GLU 55 -5.206 -13.745 -4.442 382 H LYS 56 HN LYS 56 -7.979 -11.388 -2.986 383 HA LYS 56 HA LYS 56 -9.198 -13.872 -1.855 384 1HB LYS 56 HB2 LYS 56 -9.956 -11.271 -1.701 385 2HB LYS 56 HB1 LYS 56 -10.809 -11.735 -3.173 386 1HG LYS 56 HG1 LYS 56 -12.406 -12.428 -1.685 387 2HG LYS 56 HG2 LYS 56 -11.391 -13.868 -1.606 388 1HD LYS 56 HD2 LYS 56 -10.365 -11.827 0.167 389 2HD LYS 56 HD1 LYS 56 -12.063 -12.142 0.522 390 1HE LYS 56 HE2 LYS 56 -11.665 -14.425 0.991 391 2HE LYS 56 HE1 LYS 56 -10.112 -14.420 0.132 392 1HZ LYS 56 HZ1 LYS 56 -9.203 -12.943 1.769 393 2HZ LYS 56 HZ2 LYS 56 -9.884 -14.266 2.589 394 3HZ LYS 56 HZ3 LYS 56 -10.706 -12.781 2.543
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