NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
610307 | 2n98 | 25886 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 18.538 -13.033 -5.765 2 H2 GLY 1 2HT GLY 1 19.519 -14.386 -5.457 3 H3 GLY 1 3HT GLY 1 17.930 -14.596 -6.021 4 HA2 GLY 1 2HA GLY 1 20.085 -13.249 -7.556 5 HA3 GLY 1 1HA GLY 1 19.621 -14.938 -7.766 6 H HIS 2 H HIS 2 17.429 -15.409 -8.451 7 HA HIS 2 HA HIS 2 16.519 -13.592 -10.482 8 HB2 HIS 2 2HB HIS 2 16.340 -15.964 -10.893 9 HB3 HIS 2 1HB HIS 2 15.393 -16.195 -9.424 10 HD1 HIS 2 1HD HIS 2 15.159 -14.430 -12.788 11 HD2 HIS 2 2HD HIS 2 12.652 -15.844 -9.771 12 HE1 HIS 2 1HE HIS 2 12.789 -14.158 -13.638 13 HE2 HIS 2 2HE HIS 2 11.250 -15.015 -11.811 14 H MET 3 H MET 3 15.003 -12.053 -10.329 15 HA MET 3 HA MET 3 13.772 -11.506 -7.775 16 HB2 MET 3 2HB MET 3 13.578 -10.172 -10.479 17 HB3 MET 3 1HB MET 3 12.717 -9.600 -9.051 18 HG2 MET 3 2HG MET 3 14.869 -9.379 -7.848 19 HG3 MET 3 1HG MET 3 15.725 -9.918 -9.293 20 HE1 MET 3 3HE MET 3 14.769 -8.644 -11.764 21 HE2 MET 3 1HE MET 3 16.418 -8.611 -11.126 22 HE3 MET 3 2HE MET 3 15.675 -7.136 -11.738 23 H SER 4 H SER 4 12.042 -12.599 -7.124 24 HA SER 4 HA SER 4 10.262 -13.906 -8.996 25 HB2 SER 4 2HB SER 4 10.789 -15.007 -6.886 26 HB3 SER 4 1HB SER 4 10.150 -13.635 -5.983 27 HG SER 4 HG SER 4 8.836 -15.728 -6.852 28 H ASP 5 H ASP 5 8.355 -13.185 -9.730 29 HA ASP 5 HA ASP 5 7.543 -10.476 -9.105 30 HB2 ASP 5 2HB ASP 5 5.720 -10.983 -10.792 31 HB3 ASP 5 1HB ASP 5 7.368 -11.109 -11.395 32 H LEU 6 H LEU 6 5.412 -13.310 -9.390 33 HA LEU 6 HA LEU 6 4.582 -13.371 -6.706 34 HB2 LEU 6 2HB LEU 6 2.484 -12.263 -6.733 35 HB3 LEU 6 1HB LEU 6 3.632 -11.122 -7.400 36 HG LEU 6 HG LEU 6 1.826 -12.890 -9.088 37 HD11 LEU 6 1HD1 LEU 6 1.533 -9.931 -8.580 38 HD12 LEU 6 2HD1 LEU 6 0.693 -11.136 -7.603 39 HD13 LEU 6 3HD1 LEU 6 0.380 -11.032 -9.336 40 HD21 LEU 6 3HD2 LEU 6 2.485 -11.126 -10.810 41 HD22 LEU 6 1HD2 LEU 6 3.772 -12.232 -10.336 42 HD23 LEU 6 2HD2 LEU 6 3.719 -10.602 -9.667 43 H SER 7 H SER 7 3.880 -13.942 -10.055 44 HA SER 7 HA SER 7 2.575 -15.566 -11.126 45 HB2 SER 7 2HB SER 7 4.790 -16.595 -10.420 46 HB3 SER 7 1HB SER 7 3.913 -17.343 -9.088 47 HG SER 7 HG SER 7 2.778 -18.540 -10.495 48 H THR 8 H THR 8 0.782 -14.379 -9.704 49 HA THR 8 HA THR 8 -1.201 -14.533 -8.579 50 HB THR 8 HB THR 8 -0.961 -17.471 -9.234 51 HG1 THR 8 1HG THR 8 -2.452 -16.263 -10.979 52 HG21 THR 8 3HG2 THR 8 -3.527 -17.069 -9.471 53 HG22 THR 8 1HG2 THR 8 -3.234 -15.640 -8.483 54 HG23 THR 8 2HG2 THR 8 -2.848 -17.241 -7.857 55 H ALA 9 H ALA 9 1.542 -15.750 -7.387 56 HA ALA 9 HA ALA 9 0.336 -16.533 -4.794 57 HB1 ALA 9 1HB ALA 9 1.213 -18.522 -5.690 58 HB2 ALA 9 2HB ALA 9 2.462 -17.947 -4.585 59 HB3 ALA 9 3HB ALA 9 2.640 -17.707 -6.327 60 HA PRO 10 HA PRO 10 3.350 -12.809 -4.699 61 HB2 PRO 10 2HB PRO 10 1.509 -11.380 -3.078 62 HB3 PRO 10 1HB PRO 10 1.824 -11.100 -4.805 63 HG2 PRO 10 2HG PRO 10 -0.382 -12.596 -3.494 64 HG3 PRO 10 1HG PRO 10 -0.382 -11.676 -5.010 65 HD2 PRO 10 2HD PRO 10 -0.378 -14.377 -4.989 66 HD3 PRO 10 1HD PRO 10 0.468 -13.461 -6.249 67 H THR 11 H THR 11 4.499 -12.061 -2.826 68 HA THR 11 HA THR 11 4.076 -13.706 -0.399 69 HB THR 11 HB THR 11 6.688 -12.552 -1.399 70 HG1 THR 11 1HG THR 11 5.317 -14.843 -2.054 71 HG21 THR 11 3HG2 THR 11 5.999 -14.605 0.720 72 HG22 THR 11 1HG2 THR 11 6.581 -12.966 1.011 73 HG23 THR 11 2HG2 THR 11 7.636 -14.151 0.241 74 H LEU 12 H LEU 12 4.441 -12.694 1.566 75 HA LEU 12 HA LEU 12 3.420 -10.167 1.942 76 HB2 LEU 12 2HB LEU 12 5.328 -11.795 3.620 77 HB3 LEU 12 1HB LEU 12 4.721 -10.233 4.166 78 HG LEU 12 HG LEU 12 2.384 -11.079 3.815 79 HD11 LEU 12 1HD1 LEU 12 2.600 -12.840 2.254 80 HD12 LEU 12 2HD1 LEU 12 2.299 -13.685 3.771 81 HD13 LEU 12 3HD1 LEU 12 3.934 -13.584 3.131 82 HD21 LEU 12 3HD2 LEU 12 4.093 -12.762 5.680 83 HD22 LEU 12 1HD2 LEU 12 2.368 -12.436 5.854 84 HD23 LEU 12 2HD2 LEU 12 3.536 -11.126 6.032 85 H ASP 13 H ASP 13 6.801 -11.090 1.466 86 HA ASP 13 HA ASP 13 7.878 -8.517 2.011 87 HB2 ASP 13 2HB ASP 13 9.160 -10.415 0.061 88 HB3 ASP 13 1HB ASP 13 9.921 -9.286 1.173 89 H SER 14 H SER 14 6.752 -10.059 -1.022 90 HA SER 14 HA SER 14 7.647 -7.965 -2.698 91 HB2 SER 14 2HB SER 14 6.069 -8.887 -4.347 92 HB3 SER 14 1HB SER 14 7.138 -10.101 -3.656 93 HG SER 14 HG SER 14 4.578 -10.257 -3.756 94 H LEU 15 H LEU 15 4.591 -8.483 -0.969 95 HA LEU 15 HA LEU 15 3.352 -6.211 -2.174 96 HB2 LEU 15 2HB LEU 15 2.711 -7.966 0.173 97 HB3 LEU 15 1HB LEU 15 1.758 -6.527 -0.152 98 HG LEU 15 HG LEU 15 0.911 -7.374 -2.169 99 HD11 LEU 15 1HD1 LEU 15 3.071 -9.508 -2.208 100 HD12 LEU 15 2HD1 LEU 15 3.087 -8.068 -3.220 101 HD13 LEU 15 3HD1 LEU 15 1.831 -9.248 -3.419 102 HD21 LEU 15 3HD2 LEU 15 0.097 -9.622 -1.649 103 HD22 LEU 15 1HD2 LEU 15 0.137 -8.644 -0.177 104 HD23 LEU 15 2HD2 LEU 15 1.398 -9.832 -0.476 105 H ARG 16 H ARG 16 4.323 -6.714 1.213 106 HA ARG 16 HA ARG 16 4.200 -4.203 2.213 107 HB2 ARG 16 2HB ARG 16 5.040 -6.043 3.547 108 HB3 ARG 16 1HB ARG 16 6.508 -6.124 2.587 109 HG2 ARG 16 2HG ARG 16 5.879 -3.474 3.843 110 HG3 ARG 16 1HG ARG 16 6.353 -4.757 4.943 111 HD2 ARG 16 2HD ARG 16 8.382 -5.126 3.384 112 HD3 ARG 16 1HD ARG 16 7.954 -3.583 2.660 113 HE ARG 16 HE ARG 16 9.096 -3.991 5.290 114 HH11 ARG 16 1HH2 ARG 16 7.300 -1.941 3.164 115 HH12 ARG 16 2HH2 ARG 16 7.685 -0.485 4.016 116 HH21 ARG 16 1HH1 ARG 16 9.602 -2.088 6.417 117 HH22 ARG 16 2HH1 ARG 16 8.988 -0.568 5.860 118 H VAL 17 H VAL 17 7.061 -5.374 0.374 119 HA VAL 17 HA VAL 17 8.393 -2.896 0.322 120 HB VAL 17 HB VAL 17 9.761 -3.837 -1.441 121 HG11 VAL 17 1HG1 VAL 17 10.560 -4.923 0.440 122 HG12 VAL 17 2HG1 VAL 17 9.920 -6.355 -0.374 123 HG13 VAL 17 3HG1 VAL 17 8.979 -5.555 0.887 124 HG21 VAL 17 3HG2 VAL 17 8.173 -4.696 -2.959 125 HG22 VAL 17 1HG2 VAL 17 7.441 -5.682 -1.718 126 HG23 VAL 17 2HG2 VAL 17 9.005 -6.130 -2.354 127 H TRP 18 H TRP 18 5.899 -4.292 -1.815 128 HA TRP 18 HA TRP 18 6.032 -2.390 -3.906 129 HB2 TRP 18 2HB TRP 18 4.299 -3.602 -4.757 130 HB3 TRP 18 1HB TRP 18 4.361 -4.563 -3.303 131 HD1 TRP 18 HD TRP 18 2.303 -4.387 -1.663 132 HE1 TRP 18 1HE TRP 18 0.199 -2.991 -1.575 133 HE3 TRP 18 3HE TRP 18 3.229 -1.127 -5.496 134 HZ2 TRP 18 2HZ TRP 18 -0.980 -0.831 -2.906 135 HZ3 TRP 18 3HZ TRP 18 1.553 0.588 -6.049 136 HH2 TRP 18 HH TRP 18 -0.537 0.719 -4.743 137 H LEU 19 H LEU 19 4.019 -2.372 -0.976 138 HA LEU 19 HA LEU 19 2.645 0.027 -1.428 139 HB2 LEU 19 2HB LEU 19 3.191 -1.790 0.811 140 HB3 LEU 19 1HB LEU 19 2.989 -0.132 1.351 141 HG LEU 19 HG LEU 19 0.957 -1.092 -0.630 142 HD11 LEU 19 1HD1 LEU 19 0.951 -2.088 2.218 143 HD12 LEU 19 2HD1 LEU 19 1.230 -3.080 0.786 144 HD13 LEU 19 3HD1 LEU 19 -0.326 -2.298 1.028 145 HD21 LEU 19 3HD2 LEU 19 -0.438 0.394 0.498 146 HD22 LEU 19 1HD2 LEU 19 1.128 1.162 0.726 147 HD23 LEU 19 2HD2 LEU 19 0.417 0.209 2.029 148 H VAL 20 H VAL 20 5.578 -0.412 0.642 149 HA VAL 20 HA VAL 20 5.928 2.347 1.089 150 HB VAL 20 HB VAL 20 7.079 0.727 2.465 151 HG11 VAL 20 1HG1 VAL 20 7.311 -0.916 0.513 152 HG12 VAL 20 2HG1 VAL 20 8.663 -0.838 1.635 153 HG13 VAL 20 3HG1 VAL 20 8.765 -0.028 0.071 154 HG21 VAL 20 3HG2 VAL 20 9.191 2.088 0.786 155 HG22 VAL 20 1HG2 VAL 20 9.271 1.697 2.502 156 HG23 VAL 20 2HG2 VAL 20 8.183 2.965 1.934 157 H ASP 21 H ASP 21 7.392 0.191 -1.343 158 HA ASP 21 HA ASP 21 8.945 2.133 -2.627 159 HB2 ASP 21 2HB ASP 21 9.165 -0.278 -3.055 160 HB3 ASP 21 1HB ASP 21 7.587 -0.282 -3.842 161 H CYS 22 H CYS 22 5.529 1.327 -2.963 162 HA CYS 22 HA CYS 22 5.003 2.778 -5.331 163 HB2 CYS 22 2HB CYS 22 3.405 1.178 -4.215 164 HB3 CYS 22 1HB CYS 22 3.070 2.438 -3.030 165 HG CYS 22 HG CYS 22 1.657 3.604 -4.699 166 H VAL 23 H VAL 23 4.701 3.739 -1.895 167 HA VAL 23 HA VAL 23 3.879 6.398 -2.419 168 HB VAL 23 HB VAL 23 5.506 5.400 -0.094 169 HG11 VAL 23 1HG1 VAL 23 5.063 7.385 1.001 170 HG12 VAL 23 2HG1 VAL 23 3.504 7.598 0.219 171 HG13 VAL 23 3HG1 VAL 23 4.977 8.012 -0.638 172 HG21 VAL 23 3HG2 VAL 23 2.527 5.394 -0.570 173 HG22 VAL 23 1HG2 VAL 23 3.240 5.265 1.044 174 HG23 VAL 23 2HG2 VAL 23 3.567 4.024 -0.174 175 H ALA 24 H ALA 24 7.159 5.013 -1.795 176 HA ALA 24 HA ALA 24 8.647 7.319 -1.833 177 HB1 ALA 24 1HB ALA 24 9.515 4.811 -3.275 178 HB2 ALA 24 2HB ALA 24 9.467 4.921 -1.517 179 HB3 ALA 24 3HB ALA 24 10.526 5.987 -2.437 180 H GLY 25 H GLY 25 7.817 5.314 -4.660 181 HA2 GLY 25 2HA GLY 25 8.947 6.996 -6.611 182 HA3 GLY 25 1HA GLY 25 7.654 5.836 -6.902 183 H HIS 26 H HIS 26 5.661 6.893 -5.252 184 HA HIS 26 HA HIS 26 4.413 8.753 -6.904 185 HB2 HIS 26 2HB HIS 26 3.098 7.474 -5.382 186 HB3 HIS 26 1HB HIS 26 4.015 8.033 -4.009 187 HD1 HIS 26 1HD HIS 26 2.488 10.135 -6.782 188 HD2 HIS 26 2HD HIS 26 2.184 9.586 -2.660 189 HE1 HIS 26 1HE HIS 26 0.951 11.960 -5.932 190 HE2 HIS 26 2HE HIS 26 0.754 11.644 -3.418 191 H LEU 27 H LEU 27 5.891 9.383 -3.692 192 HA LEU 27 HA LEU 27 5.676 12.243 -4.104 193 HB2 LEU 27 2HB LEU 27 6.769 10.481 -1.927 194 HB3 LEU 27 1HB LEU 27 6.924 12.239 -1.865 195 HG LEU 27 HG LEU 27 4.287 10.777 -2.204 196 HD11 LEU 27 1HD1 LEU 27 5.323 10.226 -0.027 197 HD12 LEU 27 2HD1 LEU 27 3.898 11.240 0.177 198 HD13 LEU 27 3HD1 LEU 27 5.508 11.945 0.317 199 HD21 LEU 27 3HD2 LEU 27 3.856 12.957 -2.912 200 HD22 LEU 27 1HD2 LEU 27 5.099 13.659 -1.879 201 HD23 LEU 27 2HD2 LEU 27 3.566 13.133 -1.186 202 H GLY 28 H GLY 28 8.189 9.768 -4.198 203 HA2 GLY 28 2HA GLY 28 10.065 9.938 -5.657 204 HA3 GLY 28 1HA GLY 28 9.991 11.689 -5.514 205 H LEU 29 H LEU 29 9.468 10.726 -2.453 206 HA LEU 29 HA LEU 29 12.091 11.405 -1.584 207 HB2 LEU 29 2HB LEU 29 9.872 10.158 0.037 208 HB3 LEU 29 1HB LEU 29 11.253 11.046 0.657 209 HG LEU 29 HG LEU 29 9.123 12.192 -1.164 210 HD11 LEU 29 1HD1 LEU 29 8.380 13.424 0.831 211 HD12 LEU 29 2HD1 LEU 29 9.618 12.622 1.798 212 HD13 LEU 29 3HD1 LEU 29 8.290 11.686 1.116 213 HD21 LEU 29 3HD2 LEU 29 11.641 13.289 0.081 214 HD22 LEU 29 1HD2 LEU 29 10.284 14.366 -0.251 215 HD23 LEU 29 2HD2 LEU 29 11.047 13.480 -1.567 216 H ASP 30 H ASP 30 12.873 9.845 0.378 217 HA ASP 30 HA ASP 30 13.829 7.457 -0.999 218 HB2 ASP 30 2HB ASP 30 14.486 8.703 1.671 219 HB3 ASP 30 1HB ASP 30 15.180 7.177 1.123 220 H ALA 31 H ALA 31 13.076 5.449 -0.710 221 HA ALA 31 HA ALA 31 10.717 4.897 0.683 222 HB1 ALA 31 1HB ALA 31 11.263 3.461 -1.093 223 HB2 ALA 31 2HB ALA 31 11.421 2.478 0.360 224 HB3 ALA 31 3HB ALA 31 12.861 3.119 -0.427 225 H ALA 32 H ALA 32 14.094 4.546 1.688 226 HA ALA 32 HA ALA 32 13.627 2.995 3.993 227 HB1 ALA 32 1HB ALA 32 15.856 3.335 2.980 228 HB2 ALA 32 2HB ALA 32 15.846 3.763 4.692 229 HB3 ALA 32 3HB ALA 32 15.807 5.030 3.466 230 H THR 33 H THR 33 12.871 6.250 3.279 231 HA THR 33 HA THR 33 12.221 6.750 6.127 232 HB THR 33 HB THR 33 12.814 9.235 5.479 233 HG1 THR 33 1HG THR 33 13.947 7.663 3.486 234 HG21 THR 33 3HG2 THR 33 13.994 8.049 7.234 235 HG22 THR 33 1HG2 THR 33 15.197 8.801 6.185 236 HG23 THR 33 2HG2 THR 33 14.865 7.074 6.050 237 H ILE 34 H ILE 34 10.532 5.826 3.938 238 HA ILE 34 HA ILE 34 9.054 8.103 3.021 239 HB ILE 34 HB ILE 34 8.944 5.170 2.770 240 HG12 ILE 34 2HG1 ILE 34 9.752 6.857 1.083 241 HG13 ILE 34 1HG1 ILE 34 8.574 5.696 0.469 242 HG21 ILE 34 1HG2 ILE 34 6.562 5.329 1.818 243 HG22 ILE 34 2HG2 ILE 34 6.371 6.749 2.827 244 HG23 ILE 34 3HG2 ILE 34 6.724 5.178 3.549 245 HD11 ILE 34 3HD1 ILE 34 7.293 8.107 1.546 246 HD12 ILE 34 1HD1 ILE 34 7.118 7.332 -0.026 247 HD13 ILE 34 2HD1 ILE 34 8.423 8.460 0.254 248 H ALA 35 H ALA 35 7.781 5.460 5.065 249 HA ALA 35 HA ALA 35 7.061 6.826 7.328 250 HB1 ALA 35 1HB ALA 35 5.294 7.496 4.997 251 HB2 ALA 35 2HB ALA 35 5.749 8.494 6.382 252 HB3 ALA 35 3HB ALA 35 4.518 7.253 6.564 253 H THR 36 H THR 36 7.398 4.135 5.813 254 HA THR 36 HA THR 36 5.255 2.511 5.797 255 HB THR 36 HB THR 36 6.693 0.683 6.245 256 HG1 THR 36 1HG THR 36 7.979 2.552 7.894 257 HG21 THR 36 3HG2 THR 36 8.630 2.835 5.375 258 HG22 THR 36 1HG2 THR 36 7.343 2.250 4.322 259 HG23 THR 36 2HG2 THR 36 8.590 1.140 4.889 260 H ASP 37 H ASP 37 6.729 3.845 8.754 261 HA ASP 37 HA ASP 37 4.810 2.319 10.397 262 HB2 ASP 37 2HB ASP 37 7.259 2.276 10.950 263 HB3 ASP 37 1HB ASP 37 7.165 4.008 11.264 264 H LEU 38 H LEU 38 4.336 4.812 8.697 265 HA LEU 38 HA LEU 38 2.961 6.362 10.781 266 HB2 LEU 38 2HB LEU 38 5.016 7.327 8.836 267 HB3 LEU 38 1HB LEU 38 3.619 8.369 9.042 268 HG LEU 38 HG LEU 38 4.228 7.878 11.672 269 HD11 LEU 38 1HD1 LEU 38 6.252 6.556 10.773 270 HD12 LEU 38 2HD1 LEU 38 6.553 7.744 12.038 271 HD13 LEU 38 3HD1 LEU 38 6.926 8.129 10.357 272 HD21 LEU 38 3HD2 LEU 38 3.898 10.098 10.884 273 HD22 LEU 38 1HD2 LEU 38 5.251 9.983 9.760 274 HD23 LEU 38 2HD2 LEU 38 5.552 10.076 11.497 275 HA PRO 39 HA PRO 39 -0.467 6.186 7.999 276 HB2 PRO 39 2HB PRO 39 -1.757 8.533 8.576 277 HB3 PRO 39 1HB PRO 39 -1.716 7.158 9.697 278 HG2 PRO 39 2HG PRO 39 -0.021 9.622 9.678 279 HG3 PRO 39 1HG PRO 39 -0.824 8.822 11.044 280 HD2 PRO 39 2HD PRO 39 1.817 8.467 10.534 281 HD3 PRO 39 1HD PRO 39 0.807 7.168 11.206 282 H LEU 40 H LEU 40 -1.703 7.674 6.351 283 HA LEU 40 HA LEU 40 0.197 8.592 4.411 284 HB2 LEU 40 2HB LEU 40 -1.702 8.963 2.984 285 HB3 LEU 40 1HB LEU 40 -1.987 7.464 3.859 286 HG LEU 40 HG LEU 40 -3.130 10.158 4.669 287 HD11 LEU 40 1HD1 LEU 40 -4.421 7.803 3.285 288 HD12 LEU 40 2HD1 LEU 40 -4.016 9.339 2.520 289 HD13 LEU 40 3HD1 LEU 40 -5.239 9.282 3.792 290 HD21 LEU 40 3HD2 LEU 40 -4.663 8.531 5.978 291 HD22 LEU 40 1HD2 LEU 40 -3.050 8.838 6.613 292 HD23 LEU 40 2HD2 LEU 40 -3.378 7.352 5.722 293 H THR 41 H THR 41 -1.655 10.065 6.933 294 HA THR 41 HA THR 41 -1.952 12.660 6.000 295 HB THR 41 HB THR 41 -1.922 13.332 8.382 296 HG1 THR 41 1HG THR 41 -1.026 12.088 9.819 297 HG21 THR 41 3HG2 THR 41 -3.330 10.679 8.066 298 HG22 THR 41 1HG2 THR 41 -3.873 12.137 7.236 299 HG23 THR 41 2HG2 THR 41 -3.853 12.080 9.000 300 H SER 42 H SER 42 0.965 11.082 7.350 301 HA SER 42 HA SER 42 2.506 13.308 7.800 302 HB2 SER 42 2HB SER 42 3.170 10.501 6.915 303 HB3 SER 42 1HB SER 42 4.436 11.706 7.147 304 HG SER 42 HG SER 42 2.438 11.084 9.064 305 H TYR 43 H TYR 43 1.590 11.865 4.751 306 HA TYR 43 HA TYR 43 3.554 13.259 3.192 307 HB2 TYR 43 2HB TYR 43 0.911 12.124 2.264 308 HB3 TYR 43 1HB TYR 43 2.307 12.496 1.265 309 HD1 TYR 43 1HD TYR 43 4.604 11.364 2.641 310 HD2 TYR 43 2HD TYR 43 0.599 9.806 2.376 311 HE1 TYR 43 1HE TYR 43 5.462 9.084 3.034 312 HE2 TYR 43 2HE TYR 43 1.477 7.520 2.770 313 HH TYR 43 HH TYR 43 3.681 6.317 2.447 314 H GLY 44 H GLY 44 0.836 14.308 4.836 315 HA2 GLY 44 2HA GLY 44 -0.277 16.323 4.879 316 HA3 GLY 44 1HA GLY 44 1.032 16.958 3.888 317 H LEU 45 H LEU 45 -0.798 14.226 2.722 318 HA LEU 45 HA LEU 45 -1.609 15.746 0.424 319 HB2 LEU 45 2HB LEU 45 -2.116 13.712 -0.552 320 HB3 LEU 45 1HB LEU 45 -0.865 13.256 0.590 321 HG LEU 45 HG LEU 45 -3.857 12.976 1.101 322 HD11 LEU 45 1HD1 LEU 45 -3.794 10.957 0.127 323 HD12 LEU 45 2HD1 LEU 45 -2.359 10.481 1.030 324 HD13 LEU 45 3HD1 LEU 45 -2.196 11.336 -0.497 325 HD21 LEU 45 3HD2 LEU 45 -1.466 11.938 2.637 326 HD22 LEU 45 1HD2 LEU 45 -3.155 11.758 3.085 327 HD23 LEU 45 2HD2 LEU 45 -2.405 13.342 3.117 328 H ASP 46 H ASP 46 -3.586 16.413 -0.205 329 HA ASP 46 HA ASP 46 -5.544 16.962 1.785 330 HB2 ASP 46 2HB ASP 46 -5.621 17.147 -1.235 331 HB3 ASP 46 1HB ASP 46 -6.941 17.675 -0.194 332 H SER 47 H SER 47 -7.881 16.305 1.520 333 HA SER 47 HA SER 47 -8.135 13.511 1.738 334 HB2 SER 47 2HB SER 47 -10.160 15.714 1.382 335 HB3 SER 47 1HB SER 47 -10.627 14.027 1.574 336 HG SER 47 HG SER 47 -9.087 15.618 3.355 337 H VAL 48 H VAL 48 -8.562 15.691 -0.975 338 HA VAL 48 HA VAL 48 -9.890 13.846 -2.697 339 HB VAL 48 HB VAL 48 -9.155 15.445 -4.500 340 HG11 VAL 48 1HG1 VAL 48 -10.481 17.363 -3.558 341 HG12 VAL 48 2HG1 VAL 48 -10.459 16.550 -1.993 342 HG13 VAL 48 3HG1 VAL 48 -11.274 15.800 -3.365 343 HG21 VAL 48 3HG2 VAL 48 -8.004 16.975 -2.149 344 HG22 VAL 48 1HG2 VAL 48 -7.985 17.468 -3.841 345 HG23 VAL 48 2HG2 VAL 48 -7.024 16.086 -3.315 346 H TYR 49 H TYR 49 -6.588 14.344 -1.804 347 HA TYR 49 HA TYR 49 -5.326 13.178 -4.055 348 HB2 TYR 49 2HB TYR 49 -4.531 14.251 -1.555 349 HB3 TYR 49 1HB TYR 49 -3.878 12.621 -1.590 350 HD1 TYR 49 1HD TYR 49 -4.341 15.470 -4.005 351 HD2 TYR 49 2HD TYR 49 -1.711 12.460 -2.440 352 HE1 TYR 49 1HE TYR 49 -2.526 16.268 -5.494 353 HE2 TYR 49 2HE TYR 49 0.093 13.256 -3.901 354 HH TYR 49 HH TYR 49 -0.418 16.007 -6.120 355 H ALA 50 H ALA 50 -6.345 11.764 -0.951 356 HA ALA 50 HA ALA 50 -5.465 9.162 -1.369 357 HB1 ALA 50 1HB ALA 50 -7.187 8.478 0.244 358 HB2 ALA 50 2HB ALA 50 -7.992 10.034 0.056 359 HB3 ALA 50 3HB ALA 50 -6.384 9.956 0.775 360 H LEU 51 H LEU 51 -8.516 10.672 -2.367 361 HA LEU 51 HA LEU 51 -9.865 8.464 -3.345 362 HB2 LEU 51 2HB LEU 51 -10.926 10.615 -3.266 363 HB3 LEU 51 1HB LEU 51 -9.748 11.302 -4.375 364 HG LEU 51 HG LEU 51 -11.132 8.930 -5.497 365 HD11 LEU 51 1HD1 LEU 51 -12.725 11.432 -4.862 366 HD12 LEU 51 2HD1 LEU 51 -13.002 9.828 -4.185 367 HD13 LEU 51 3HD1 LEU 51 -13.266 10.116 -5.906 368 HD21 LEU 51 3HD2 LEU 51 -11.396 10.486 -7.426 369 HD22 LEU 51 1HD2 LEU 51 -9.726 10.446 -6.860 370 HD23 LEU 51 2HD2 LEU 51 -10.766 11.800 -6.434 371 H SER 52 H SER 52 -7.834 10.653 -5.295 372 HA SER 52 HA SER 52 -7.845 8.963 -7.579 373 HB2 SER 52 2HB SER 52 -6.114 11.286 -6.750 374 HB3 SER 52 1HB SER 52 -6.016 10.513 -8.328 375 HG SER 52 HG SER 52 -7.849 12.270 -7.341 376 H ILE 53 H ILE 53 -5.416 9.646 -5.084 377 HA ILE 53 HA ILE 53 -3.413 7.955 -6.106 378 HB ILE 53 HB ILE 53 -3.966 8.833 -3.262 379 HG12 ILE 53 2HG1 ILE 53 -3.672 10.582 -5.229 380 HG13 ILE 53 1HG1 ILE 53 -2.798 10.813 -3.715 381 HG21 ILE 53 1HG2 ILE 53 -1.351 8.596 -3.225 382 HG22 ILE 53 2HG2 ILE 53 -1.612 7.500 -4.578 383 HG23 ILE 53 3HG2 ILE 53 -2.354 7.164 -3.012 384 HD11 ILE 53 3HD1 ILE 53 -1.416 11.086 -5.839 385 HD12 ILE 53 1HD1 ILE 53 -1.591 9.352 -6.078 386 HD13 ILE 53 2HD1 ILE 53 -0.762 9.962 -4.651 387 H ALA 54 H ALA 54 -5.596 7.382 -3.337 388 HA ALA 54 HA ALA 54 -4.938 4.728 -2.880 389 HB1 ALA 54 1HB ALA 54 -7.772 5.748 -2.668 390 HB2 ALA 54 2HB ALA 54 -6.519 6.171 -1.499 391 HB3 ALA 54 3HB ALA 54 -6.995 4.490 -1.711 392 H ALA 55 H ALA 55 -7.014 6.132 -5.326 393 HA ALA 55 HA ALA 55 -8.171 3.676 -6.253 394 HB1 ALA 55 1HB ALA 55 -9.237 5.799 -6.774 395 HB2 ALA 55 2HB ALA 55 -8.757 5.006 -8.274 396 HB3 ALA 55 3HB ALA 55 -7.801 6.342 -7.639 397 H GLU 56 H GLU 56 -5.381 5.603 -7.244 398 HA GLU 56 HA GLU 56 -4.653 4.048 -9.501 399 HB2 GLU 56 2HB GLU 56 -3.781 6.342 -8.996 400 HB3 GLU 56 1HB GLU 56 -2.787 5.633 -7.723 401 HG2 GLU 56 2HG GLU 56 -1.715 4.156 -9.410 402 HG3 GLU 56 1HG GLU 56 -2.676 4.925 -10.670 403 H LEU 57 H LEU 57 -3.561 3.946 -6.124 404 HA LEU 57 HA LEU 57 -1.648 1.895 -6.379 405 HB2 LEU 57 2HB LEU 57 -3.376 2.933 -4.135 406 HB3 LEU 57 1HB LEU 57 -2.412 1.495 -3.867 407 HG LEU 57 HG LEU 57 -0.435 2.975 -4.851 408 HD11 LEU 57 1HD1 LEU 57 -1.845 4.839 -5.559 409 HD12 LEU 57 2HD1 LEU 57 -0.724 5.360 -4.300 410 HD13 LEU 57 3HD1 LEU 57 -2.412 5.046 -3.904 411 HD21 LEU 57 3HD2 LEU 57 -0.509 2.154 -2.542 412 HD22 LEU 57 1HD2 LEU 57 -1.630 3.443 -2.105 413 HD23 LEU 57 2HD2 LEU 57 0.027 3.833 -2.569 414 H GLU 58 H GLU 58 -4.986 1.555 -5.128 415 HA GLU 58 HA GLU 58 -4.979 -1.252 -5.179 416 HB2 GLU 58 2HB GLU 58 -7.452 -1.067 -5.131 417 HB3 GLU 58 1HB GLU 58 -6.644 -0.056 -3.959 418 HG2 GLU 58 2HG GLU 58 -8.027 1.584 -4.814 419 HG3 GLU 58 1HG GLU 58 -6.779 1.696 -6.031 420 H ASP 59 H ASP 59 -5.740 1.059 -7.736 421 HA ASP 59 HA ASP 59 -6.898 -0.750 -9.564 422 HB2 ASP 59 2HB ASP 59 -5.452 1.878 -9.854 423 HB3 ASP 59 1HB ASP 59 -5.923 0.968 -11.284 424 H HIS 60 H HIS 60 -3.608 -0.171 -8.620 425 HA HIS 60 HA HIS 60 -2.426 -1.467 -10.919 426 HB2 HIS 60 2HB HIS 60 -1.347 -0.520 -8.277 427 HB3 HIS 60 1HB HIS 60 -0.384 -1.625 -9.239 428 HD1 HIS 60 1HD HIS 60 -0.507 -0.753 -11.998 429 HD2 HIS 60 2HD HIS 60 -0.675 2.068 -8.935 430 HE1 HIS 60 1HE HIS 60 0.117 1.471 -13.039 431 HE2 HIS 60 2HE HIS 60 0.017 3.202 -11.184 432 H LEU 61 H LEU 61 -3.451 -2.552 -7.696 433 HA LEU 61 HA LEU 61 -2.456 -5.262 -8.270 434 HB2 LEU 61 2HB LEU 61 -3.816 -4.249 -5.763 435 HB3 LEU 61 1HB LEU 61 -3.013 -5.792 -5.972 436 HG LEU 61 HG LEU 61 -1.529 -4.300 -4.789 437 HD11 LEU 61 1HD1 LEU 61 -0.450 -4.260 -7.595 438 HD12 LEU 61 2HD1 LEU 61 -0.691 -5.793 -6.741 439 HD13 LEU 61 3HD1 LEU 61 0.394 -4.570 -6.076 440 HD21 LEU 61 3HD2 LEU 61 -1.121 -2.118 -5.356 441 HD22 LEU 61 1HD2 LEU 61 -2.742 -2.260 -5.990 442 HD23 LEU 61 2HD2 LEU 61 -1.349 -2.371 -7.067 443 H ASP 62 H ASP 62 -4.955 -3.851 -9.527 444 HA ASP 62 HA ASP 62 -7.070 -4.475 -10.162 445 HB2 ASP 62 2HB ASP 62 -5.759 -7.136 -9.634 446 HB3 ASP 62 1HB ASP 62 -7.365 -6.981 -10.334 447 H VAL 63 H VAL 63 -7.370 -3.490 -7.774 448 HA VAL 63 HA VAL 63 -9.360 -5.213 -6.519 449 HB VAL 63 HB VAL 63 -8.247 -4.651 -4.229 450 HG11 VAL 63 1HG1 VAL 63 -8.375 -6.922 -5.307 451 HG12 VAL 63 2HG1 VAL 63 -6.942 -6.681 -4.311 452 HG13 VAL 63 3HG1 VAL 63 -6.816 -6.586 -6.066 453 HG21 VAL 63 3HG2 VAL 63 -5.974 -4.209 -6.183 454 HG22 VAL 63 1HG2 VAL 63 -5.709 -4.595 -4.488 455 HG23 VAL 63 2HG2 VAL 63 -6.540 -3.111 -4.931 456 H SER 64 H SER 64 -10.689 -4.032 -4.959 457 HA SER 64 HA SER 64 -10.643 -1.094 -5.424 458 HB2 SER 64 2HB SER 64 -12.566 -2.134 -6.515 459 HB3 SER 64 1HB SER 64 -13.006 -2.950 -5.017 460 HG SER 64 HG SER 64 -12.889 -0.588 -4.218 461 H LEU 65 H LEU 65 -10.846 0.226 -3.655 462 HA LEU 65 HA LEU 65 -10.754 -1.105 -1.005 463 HB2 LEU 65 2HB LEU 65 -9.979 1.760 -1.562 464 HB3 LEU 65 1HB LEU 65 -9.511 0.735 -0.204 465 HG LEU 65 HG LEU 65 -8.692 0.342 -3.075 466 HD11 LEU 65 1HD1 LEU 65 -6.364 0.709 -1.787 467 HD12 LEU 65 2HD1 LEU 65 -7.400 1.623 -0.693 468 HD13 LEU 65 3HD1 LEU 65 -7.304 2.070 -2.396 469 HD21 LEU 65 3HD2 LEU 65 -8.810 -1.811 -2.112 470 HD22 LEU 65 1HD2 LEU 65 -8.190 -1.239 -0.563 471 HD23 LEU 65 2HD2 LEU 65 -7.115 -1.346 -1.962 472 H ASP 66 H ASP 66 -11.837 -0.019 0.769 473 HA ASP 66 HA ASP 66 -14.407 1.127 -0.091 474 HB2 ASP 66 2HB ASP 66 -13.497 -0.620 2.082 475 HB3 ASP 66 1HB ASP 66 -14.526 0.683 2.679 476 HA PRO 67 HA PRO 67 -13.575 5.204 1.254 477 HB2 PRO 67 2HB PRO 67 -15.839 5.800 2.777 478 HB3 PRO 67 1HB PRO 67 -15.779 5.830 1.004 479 HG2 PRO 67 2HG PRO 67 -16.774 3.678 2.824 480 HG3 PRO 67 1HG PRO 67 -17.462 4.275 1.301 481 HD2 PRO 67 2HD PRO 67 -16.067 1.974 1.382 482 HD3 PRO 67 1HD PRO 67 -15.939 3.074 -0.010 483 H THR 68 H THR 68 -15.394 4.138 4.107 484 HA THR 68 HA THR 68 -13.660 5.349 5.957 485 HB THR 68 HB THR 68 -15.726 4.926 6.910 486 HG1 THR 68 1HG THR 68 -14.080 2.715 7.535 487 HG21 THR 68 3HG2 THR 68 -16.792 3.659 5.232 488 HG22 THR 68 1HG2 THR 68 -16.805 2.588 6.634 489 HG23 THR 68 2HG2 THR 68 -15.620 2.345 5.351 490 H LEU 69 H LEU 69 -13.342 2.448 4.207 491 HA LEU 69 HA LEU 69 -11.739 0.980 6.071 492 HB2 LEU 69 2HB LEU 69 -12.932 -0.098 4.214 493 HB3 LEU 69 1HB LEU 69 -11.904 0.739 3.057 494 HG LEU 69 HG LEU 69 -10.749 -0.993 5.251 495 HD11 LEU 69 1HD1 LEU 69 -10.683 -2.858 3.669 496 HD12 LEU 69 2HD1 LEU 69 -11.530 -1.884 2.465 497 HD13 LEU 69 3HD1 LEU 69 -12.346 -2.346 3.959 498 HD21 LEU 69 3HD2 LEU 69 -9.115 -1.185 3.006 499 HD22 LEU 69 1HD2 LEU 69 -8.848 -0.111 4.372 500 HD23 LEU 69 2HD2 LEU 69 -9.663 0.484 2.923 501 H ILE 70 H ILE 70 -11.014 3.177 3.368 502 HA ILE 70 HA ILE 70 -8.230 2.838 3.361 503 HB ILE 70 HB ILE 70 -9.946 5.215 2.606 504 HG12 ILE 70 2HG1 ILE 70 -8.345 3.363 0.827 505 HG13 ILE 70 1HG1 ILE 70 -9.980 2.962 1.323 506 HG21 ILE 70 1HG2 ILE 70 -7.817 6.166 3.105 507 HG22 ILE 70 2HG2 ILE 70 -7.807 5.907 1.359 508 HG23 ILE 70 3HG2 ILE 70 -6.958 4.785 2.423 509 HD11 ILE 70 3HD1 ILE 70 -9.230 5.565 -0.037 510 HD12 ILE 70 1HD1 ILE 70 -10.859 4.967 0.292 511 HD13 ILE 70 2HD1 ILE 70 -9.842 4.149 -0.894 512 H TRP 71 H TRP 71 -10.296 5.002 5.263 513 HA TRP 71 HA TRP 71 -8.068 6.241 6.594 514 HB2 TRP 71 2HB TRP 71 -11.043 6.221 7.138 515 HB3 TRP 71 1HB TRP 71 -9.887 7.093 8.147 516 HD1 TRP 71 HD TRP 71 -11.935 7.492 5.114 517 HE1 TRP 71 1HE TRP 71 -11.220 9.591 3.795 518 HE3 TRP 71 3HE TRP 71 -7.511 8.534 7.443 519 HZ2 TRP 71 2HZ TRP 71 -9.052 11.460 3.733 520 HZ3 TRP 71 3HZ TRP 71 -6.142 10.476 6.735 521 HH2 TRP 71 HH TRP 71 -6.908 11.939 4.886 522 H ASP 72 H ASP 72 -9.439 3.195 6.774 523 HA ASP 72 HA ASP 72 -9.034 2.801 9.643 524 HB2 ASP 72 2HB ASP 72 -10.878 1.649 8.295 525 HB3 ASP 72 1HB ASP 72 -9.602 0.648 7.595 526 H HIS 73 H HIS 73 -7.504 2.002 6.571 527 HA HIS 73 HA HIS 73 -5.178 0.871 8.040 528 HB2 HIS 73 2HB HIS 73 -5.991 0.297 5.183 529 HB3 HIS 73 1HB HIS 73 -4.745 -0.518 6.132 530 HD1 HIS 73 1HD HIS 73 -6.684 -0.494 8.770 531 HD2 HIS 73 2HD HIS 73 -7.518 -2.135 5.030 532 HE1 HIS 73 1HE HIS 73 -8.476 -2.246 9.138 533 HE2 HIS 73 2HE HIS 73 -8.996 -3.255 6.868 534 HA PRO 74 HA PRO 74 -3.953 4.777 5.620 535 HB2 PRO 74 2HB PRO 74 -3.133 6.266 7.766 536 HB3 PRO 74 1HB PRO 74 -4.816 6.238 7.206 537 HG2 PRO 74 2HG PRO 74 -3.549 4.675 9.423 538 HG3 PRO 74 1HG PRO 74 -5.063 5.603 9.431 539 HD2 PRO 74 2HD PRO 74 -5.090 2.926 9.107 540 HD3 PRO 74 1HD PRO 74 -6.224 3.981 8.225 541 H THR 75 H THR 75 -2.595 2.418 7.582 542 HA THR 75 HA THR 75 0.186 3.362 7.120 543 HB THR 75 HB THR 75 0.696 1.540 8.882 544 HG1 THR 75 1HG THR 75 -1.135 1.191 10.256 545 HG21 THR 75 3HG2 THR 75 0.870 3.925 9.386 546 HG22 THR 75 1HG2 THR 75 0.105 3.094 10.740 547 HG23 THR 75 2HG2 THR 75 -0.876 4.030 9.612 548 H ILE 76 H ILE 76 1.764 1.718 6.607 549 HA ILE 76 HA ILE 76 0.930 0.078 4.424 550 HB ILE 76 HB ILE 76 3.570 0.340 5.873 551 HG12 ILE 76 2HG1 ILE 76 2.481 1.305 3.207 552 HG13 ILE 76 1HG1 ILE 76 2.928 2.297 4.591 553 HG21 ILE 76 1HG2 ILE 76 4.529 -0.955 3.966 554 HG22 ILE 76 2HG2 ILE 76 2.896 -1.283 3.393 555 HG23 ILE 76 3HG2 ILE 76 3.441 -1.931 4.936 556 HD11 ILE 76 3HD1 ILE 76 4.906 2.526 3.477 557 HD12 ILE 76 1HD1 ILE 76 4.630 1.078 2.512 558 HD13 ILE 76 2HD1 ILE 76 5.272 0.932 4.141 559 H ASP 77 H ASP 77 1.874 -0.567 7.767 560 HA ASP 77 HA ASP 77 2.018 -3.332 7.699 561 HB2 ASP 77 2HB ASP 77 2.621 -2.062 9.677 562 HB3 ASP 77 1HB ASP 77 0.954 -1.532 9.885 563 H ALA 78 H ALA 78 -0.903 -1.324 8.318 564 HA ALA 78 HA ALA 78 -2.662 -3.548 8.501 565 HB1 ALA 78 1HB ALA 78 -4.445 -1.795 8.178 566 HB2 ALA 78 2HB ALA 78 -3.158 -0.612 7.944 567 HB3 ALA 78 3HB ALA 78 -3.315 -1.450 9.487 568 H LEU 79 H LEU 79 -1.953 -1.268 5.852 569 HA LEU 79 HA LEU 79 -3.748 -2.309 3.966 570 HB2 LEU 79 2HB LEU 79 -2.027 -0.211 4.025 571 HB3 LEU 79 1HB LEU 79 -1.119 -1.288 2.985 572 HG LEU 79 HG LEU 79 -2.453 0.046 1.532 573 HD11 LEU 79 1HD1 LEU 79 -3.522 -1.569 0.267 574 HD12 LEU 79 2HD1 LEU 79 -4.239 -2.363 1.669 575 HD13 LEU 79 3HD1 LEU 79 -2.539 -2.588 1.305 576 HD21 LEU 79 3HD2 LEU 79 -4.130 0.518 3.601 577 HD22 LEU 79 1HD2 LEU 79 -5.078 -0.726 2.789 578 HD23 LEU 79 2HD2 LEU 79 -4.638 0.749 1.932 579 H SER 80 H SER 80 -0.319 -3.130 4.570 580 HA SER 80 HA SER 80 -0.046 -5.024 2.507 581 HB2 SER 80 2HB SER 80 1.866 -5.881 3.824 582 HB3 SER 80 1HB SER 80 1.887 -4.122 3.718 583 HG SER 80 HG SER 80 1.388 -3.979 5.791 584 H THR 81 H THR 81 -0.971 -5.386 5.910 585 HA THR 81 HA THR 81 -1.265 -8.166 5.981 586 HB THR 81 HB THR 81 -2.879 -6.067 7.441 587 HG1 THR 81 1HG THR 81 -1.082 -5.856 8.476 588 HG21 THR 81 3HG2 THR 81 -4.094 -8.119 7.568 589 HG22 THR 81 1HG2 THR 81 -3.193 -7.995 9.080 590 HG23 THR 81 2HG2 THR 81 -2.618 -9.056 7.794 591 H ALA 82 H ALA 82 -3.586 -5.650 5.048 592 HA ALA 82 HA ALA 82 -5.731 -7.450 4.526 593 HB1 ALA 82 1HB ALA 82 -5.278 -4.680 3.387 594 HB2 ALA 82 2HB ALA 82 -6.022 -5.008 4.951 595 HB3 ALA 82 3HB ALA 82 -6.812 -5.547 3.469 596 H LEU 83 H LEU 83 -3.156 -5.999 2.487 597 HA LEU 83 HA LEU 83 -4.156 -6.882 0.024 598 HB2 LEU 83 2HB LEU 83 -2.146 -5.255 0.740 599 HB3 LEU 83 1HB LEU 83 -1.188 -6.712 0.477 600 HG LEU 83 HG LEU 83 -3.045 -5.379 -1.517 601 HD11 LEU 83 1HD1 LEU 83 -1.068 -4.145 -1.501 602 HD12 LEU 83 2HD1 LEU 83 -0.747 -5.326 -2.767 603 HD13 LEU 83 3HD1 LEU 83 -0.059 -5.544 -1.158 604 HD21 LEU 83 3HD2 LEU 83 -3.251 -7.687 -1.978 605 HD22 LEU 83 1HD2 LEU 83 -1.573 -8.009 -1.548 606 HD23 LEU 83 2HD2 LEU 83 -1.946 -7.169 -3.048 607 H VAL 84 H VAL 84 -1.674 -8.351 2.170 608 HA VAL 84 HA VAL 84 -1.300 -10.646 0.584 609 HB VAL 84 HB VAL 84 0.245 -10.006 2.407 610 HG11 VAL 84 1HG1 VAL 84 -1.506 -9.339 4.020 611 HG12 VAL 84 2HG1 VAL 84 -0.341 -10.448 4.724 612 HG13 VAL 84 3HG1 VAL 84 -1.936 -11.029 4.243 613 HG21 VAL 84 3HG2 VAL 84 0.467 -12.329 3.398 614 HG22 VAL 84 1HG2 VAL 84 0.410 -12.281 1.640 615 HG23 VAL 84 2HG2 VAL 84 -1.011 -12.764 2.562 616 H ALA 85 H ALA 85 -3.695 -9.861 3.066 617 HA ALA 85 HA ALA 85 -4.746 -12.404 3.505 618 HB1 ALA 85 1HB ALA 85 -5.348 -10.203 4.672 619 HB2 ALA 85 2HB ALA 85 -6.689 -11.298 4.330 620 HB3 ALA 85 3HB ALA 85 -6.416 -9.891 3.302 621 H GLU 86 H GLU 86 -5.320 -10.063 0.894 622 HA GLU 86 HA GLU 86 -7.522 -11.173 -0.375 623 HB2 GLU 86 2HB GLU 86 -5.043 -10.033 -1.702 624 HB3 GLU 86 1HB GLU 86 -6.580 -10.312 -2.509 625 HG2 GLU 86 2HG GLU 86 -6.209 -8.508 -0.103 626 HG3 GLU 86 1HG GLU 86 -6.295 -7.947 -1.768 627 H LEU 87 H LEU 87 -4.396 -12.556 0.021 628 HA LEU 87 HA LEU 87 -4.964 -14.671 -1.979 629 HB2 LEU 87 2HB LEU 87 -2.709 -13.146 -1.773 630 HB3 LEU 87 1HB LEU 87 -2.250 -14.497 -0.745 631 HG LEU 87 HG LEU 87 -1.511 -14.908 -3.026 632 HD11 LEU 87 1HD1 LEU 87 -2.349 -17.100 -3.285 633 HD12 LEU 87 2HD1 LEU 87 -3.916 -16.672 -2.596 634 HD13 LEU 87 3HD1 LEU 87 -2.491 -16.759 -1.558 635 HD21 LEU 87 3HD2 LEU 87 -2.777 -14.601 -4.911 636 HD22 LEU 87 1HD2 LEU 87 -3.670 -13.494 -3.872 637 HD23 LEU 87 2HD2 LEU 87 -4.271 -15.132 -4.142 638 H ARG 88 H ARG 88 -4.738 -13.952 1.345 639 HA ARG 88 HA ARG 88 -4.975 -16.821 2.043 640 HB2 ARG 88 2HB ARG 88 -2.828 -16.456 2.853 641 HB3 ARG 88 1HB ARG 88 -3.115 -14.744 3.145 642 HG2 ARG 88 2HG ARG 88 -4.323 -15.171 5.146 643 HG3 ARG 88 1HG ARG 88 -4.493 -16.888 4.772 644 HD2 ARG 88 2HD ARG 88 -2.012 -17.113 4.962 645 HD3 ARG 88 1HD ARG 88 -1.924 -15.428 5.451 646 HE ARG 88 HE ARG 88 -2.806 -16.019 7.540 647 HH11 ARG 88 1HH2 ARG 88 -2.916 -18.649 5.294 648 HH12 ARG 88 2HH2 ARG 88 -3.374 -19.825 6.480 649 HH21 ARG 88 1HH1 ARG 88 -3.402 -17.562 9.106 650 HH22 ARG 88 2HH1 ARG 88 -3.652 -19.210 8.636 651 H SER 89 H SER 89 -6.894 -17.201 2.986 652 HA SER 89 HA SER 89 -8.484 -15.016 4.043 653 HB2 SER 89 2HB SER 89 -10.237 -16.618 4.208 654 HB3 SER 89 1HB SER 89 -9.373 -17.017 2.725 655 HG SER 89 HG SER 89 -8.618 -18.791 3.631 656 H ALA 90 H ALA 90 -7.487 -18.177 5.385 657 HA ALA 90 HA ALA 90 -6.559 -16.975 7.839 658 HB1 ALA 90 1HB ALA 90 -8.195 -18.194 9.278 659 HB2 ALA 90 2HB ALA 90 -9.107 -18.609 7.827 660 HB3 ALA 90 3HB ALA 90 -8.939 -16.921 8.310 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 0.788 -3.870 -18.346 2 H2 GLY 1 2HT GLY 1 1.717 -5.220 -17.904 3 H3 GLY 1 3HT GLY 1 0.471 -4.673 -16.887 4 HA2 GLY 1 2HA GLY 1 -0.797 -5.107 -19.261 5 HA3 GLY 1 1HA GLY 1 0.347 -6.444 -19.127 6 H HIS 2 H HIS 2 -2.027 -7.394 -19.001 7 HA HIS 2 HA HIS 2 -3.481 -7.215 -16.588 8 HB2 HIS 2 2HB HIS 2 -3.315 -9.368 -18.703 9 HB3 HIS 2 1HB HIS 2 -4.413 -9.462 -17.325 10 HD1 HIS 2 1HD HIS 2 -3.703 -7.373 -20.396 11 HD2 HIS 2 2HD HIS 2 -6.671 -7.793 -17.500 12 HE1 HIS 2 1HE HIS 2 -5.666 -5.973 -21.174 13 HE2 HIS 2 2HE HIS 2 -7.483 -6.219 -19.419 14 H MET 3 H MET 3 -0.869 -9.359 -17.627 15 HA MET 3 HA MET 3 -0.813 -10.621 -14.953 16 HB2 MET 3 2HB MET 3 0.530 -12.352 -15.963 17 HB3 MET 3 1HB MET 3 -0.883 -12.085 -16.986 18 HG2 MET 3 2HG MET 3 0.819 -12.090 -18.579 19 HG3 MET 3 1HG MET 3 0.720 -10.367 -18.217 20 HE1 MET 3 3HE MET 3 4.428 -11.176 -18.896 21 HE2 MET 3 1HE MET 3 2.825 -11.122 -19.643 22 HE3 MET 3 2HE MET 3 3.498 -12.658 -19.107 23 H SER 4 H SER 4 0.836 -10.298 -13.577 24 HA SER 4 HA SER 4 3.003 -8.461 -14.424 25 HB2 SER 4 2HB SER 4 2.121 -9.132 -11.612 26 HB3 SER 4 1HB SER 4 3.218 -7.847 -12.111 27 HG SER 4 HG SER 4 1.498 -6.673 -12.336 28 H ASP 5 H ASP 5 4.466 -9.163 -11.951 29 HA ASP 5 HA ASP 5 5.965 -11.409 -13.051 30 HB2 ASP 5 2HB ASP 5 7.537 -10.900 -11.175 31 HB3 ASP 5 1HB ASP 5 7.241 -9.528 -12.241 32 H LEU 6 H LEU 6 4.108 -10.637 -10.130 33 HA LEU 6 HA LEU 6 4.585 -13.114 -8.809 34 HB2 LEU 6 2HB LEU 6 2.724 -12.427 -7.343 35 HB3 LEU 6 1HB LEU 6 3.913 -11.145 -7.567 36 HG LEU 6 HG LEU 6 2.167 -10.647 -9.667 37 HD11 LEU 6 1HD1 LEU 6 -0.070 -10.940 -8.980 38 HD12 LEU 6 2HD1 LEU 6 0.390 -11.266 -7.307 39 HD13 LEU 6 3HD1 LEU 6 0.699 -12.471 -8.555 40 HD21 LEU 6 3HD2 LEU 6 2.230 -9.593 -6.830 41 HD22 LEU 6 1HD2 LEU 6 1.228 -8.870 -8.090 42 HD23 LEU 6 2HD2 LEU 6 2.984 -8.893 -8.263 43 H SER 7 H SER 7 2.082 -11.932 -10.967 44 HA SER 7 HA SER 7 0.558 -13.061 -12.246 45 HB2 SER 7 2HB SER 7 2.554 -14.779 -12.259 46 HB3 SER 7 1HB SER 7 1.463 -15.722 -11.253 47 HG SER 7 HG SER 7 0.220 -16.045 -12.926 48 H THR 8 H THR 8 1.019 -14.944 -9.268 49 HA THR 8 HA THR 8 -1.469 -14.138 -8.151 50 HB THR 8 HB THR 8 -1.497 -17.048 -8.941 51 HG1 THR 8 1HG THR 8 -2.018 -16.578 -10.907 52 HG21 THR 8 3HG2 THR 8 -3.910 -16.735 -8.701 53 HG22 THR 8 1HG2 THR 8 -3.681 -15.006 -8.444 54 HG23 THR 8 2HG2 THR 8 -3.089 -16.161 -7.251 55 H ALA 9 H ALA 9 1.499 -14.833 -7.719 56 HA ALA 9 HA ALA 9 1.110 -16.379 -5.210 57 HB1 ALA 9 1HB ALA 9 3.549 -17.123 -5.720 58 HB2 ALA 9 2HB ALA 9 3.177 -16.626 -7.379 59 HB3 ALA 9 3HB ALA 9 2.225 -17.892 -6.597 60 HA PRO 10 HA PRO 10 3.302 -12.193 -4.683 61 HB2 PRO 10 2HB PRO 10 1.368 -11.068 -3.056 62 HB3 PRO 10 1HB PRO 10 1.429 -10.844 -4.812 63 HG2 PRO 10 2HG PRO 10 -0.251 -12.711 -3.202 64 HG3 PRO 10 1HG PRO 10 -0.681 -11.758 -4.634 65 HD2 PRO 10 2HD PRO 10 -0.134 -14.417 -4.787 66 HD3 PRO 10 1HD PRO 10 0.261 -13.295 -6.109 67 H THR 11 H THR 11 4.520 -11.739 -2.849 68 HA THR 11 HA THR 11 4.062 -13.485 -0.485 69 HB THR 11 HB THR 11 6.710 -12.394 -1.448 70 HG1 THR 11 1HG THR 11 7.048 -14.456 -2.252 71 HG21 THR 11 3HG2 THR 11 5.908 -14.452 0.625 72 HG22 THR 11 1HG2 THR 11 6.658 -12.886 0.930 73 HG23 THR 11 2HG2 THR 11 7.569 -14.155 0.113 74 H LEU 12 H LEU 12 4.544 -12.581 1.556 75 HA LEU 12 HA LEU 12 3.568 -10.051 2.044 76 HB2 LEU 12 2HB LEU 12 5.680 -11.437 3.718 77 HB3 LEU 12 1HB LEU 12 4.528 -10.220 4.261 78 HG LEU 12 HG LEU 12 2.829 -12.101 3.153 79 HD11 LEU 12 1HD1 LEU 12 4.927 -13.599 2.913 80 HD12 LEU 12 2HD1 LEU 12 3.522 -14.301 3.714 81 HD13 LEU 12 3HD1 LEU 12 4.885 -13.725 4.671 82 HD21 LEU 12 3HD2 LEU 12 3.870 -11.911 5.998 83 HD22 LEU 12 1HD2 LEU 12 2.435 -12.823 5.528 84 HD23 LEU 12 2HD2 LEU 12 2.474 -11.073 5.319 85 H ASP 13 H ASP 13 6.949 -11.030 1.575 86 HA ASP 13 HA ASP 13 8.023 -8.444 2.049 87 HB2 ASP 13 2HB ASP 13 9.315 -10.446 0.219 88 HB3 ASP 13 1HB ASP 13 10.073 -9.293 1.308 89 H SER 14 H SER 14 6.873 -10.118 -0.872 90 HA SER 14 HA SER 14 7.789 -8.165 -2.705 91 HB2 SER 14 2HB SER 14 6.315 -9.209 -4.286 92 HB3 SER 14 1HB SER 14 7.157 -10.449 -3.365 93 HG SER 14 HG SER 14 4.578 -10.199 -3.651 94 H LEU 15 H LEU 15 4.750 -8.603 -0.925 95 HA LEU 15 HA LEU 15 3.484 -6.394 -2.207 96 HB2 LEU 15 2HB LEU 15 2.828 -7.714 0.429 97 HB3 LEU 15 1HB LEU 15 1.767 -6.663 -0.484 98 HG LEU 15 HG LEU 15 2.916 -9.225 -1.594 99 HD11 LEU 15 1HD1 LEU 15 1.528 -9.929 0.180 100 HD12 LEU 15 2HD1 LEU 15 0.481 -9.999 -1.237 101 HD13 LEU 15 3HD1 LEU 15 0.358 -8.646 -0.113 102 HD21 LEU 15 3HD2 LEU 15 0.819 -8.854 -3.109 103 HD22 LEU 15 1HD2 LEU 15 2.262 -7.898 -3.420 104 HD23 LEU 15 2HD2 LEU 15 0.907 -7.190 -2.546 105 H ARG 16 H ARG 16 4.441 -6.790 1.182 106 HA ARG 16 HA ARG 16 4.278 -4.301 2.183 107 HB2 ARG 16 2HB ARG 16 5.181 -6.091 3.523 108 HB3 ARG 16 1HB ARG 16 6.620 -6.190 2.511 109 HG2 ARG 16 2HG ARG 16 6.071 -3.498 3.680 110 HG3 ARG 16 1HG ARG 16 6.494 -4.749 4.843 111 HD2 ARG 16 2HD ARG 16 8.519 -5.279 3.462 112 HD3 ARG 16 1HD ARG 16 8.132 -3.915 2.432 113 HE ARG 16 HE ARG 16 8.226 -3.075 5.138 114 HH11 ARG 16 1HH2 ARG 16 10.179 -4.111 2.487 115 HH12 ARG 16 2HH2 ARG 16 11.578 -3.220 2.983 116 HH21 ARG 16 1HH1 ARG 16 10.050 -1.891 5.802 117 HH22 ARG 16 2HH1 ARG 16 11.506 -1.959 4.865 118 H VAL 17 H VAL 17 7.135 -5.399 0.318 119 HA VAL 17 HA VAL 17 8.452 -2.911 0.257 120 HB VAL 17 HB VAL 17 9.724 -3.864 -1.618 121 HG11 VAL 17 1HG1 VAL 17 10.620 -4.767 0.330 122 HG12 VAL 17 2HG1 VAL 17 10.092 -6.265 -0.448 123 HG13 VAL 17 3HG1 VAL 17 9.104 -5.525 0.815 124 HG21 VAL 17 3HG2 VAL 17 8.938 -6.264 -2.280 125 HG22 VAL 17 1HG2 VAL 17 8.107 -4.875 -2.986 126 HG23 VAL 17 2HG2 VAL 17 7.406 -5.724 -1.628 127 H TRP 18 H TRP 18 5.992 -4.364 -1.896 128 HA TRP 18 HA TRP 18 6.070 -2.444 -3.951 129 HB2 TRP 18 2HB TRP 18 4.369 -3.710 -4.782 130 HB3 TRP 18 1HB TRP 18 4.484 -4.676 -3.319 131 HD1 TRP 18 HD TRP 18 2.426 -4.539 -1.665 132 HE1 TRP 18 1HE TRP 18 0.293 -3.203 -1.555 133 HE3 TRP 18 3HE TRP 18 3.239 -1.267 -5.516 134 HZ2 TRP 18 2HZ TRP 18 -0.951 -1.059 -2.880 135 HZ3 TRP 18 3HZ TRP 18 1.512 0.414 -6.060 136 HH2 TRP 18 HH TRP 18 -0.580 0.492 -4.727 137 H LEU 19 H LEU 19 4.051 -2.512 -1.014 138 HA LEU 19 HA LEU 19 2.617 -0.148 -1.425 139 HB2 LEU 19 2HB LEU 19 3.273 -1.927 0.831 140 HB3 LEU 19 1HB LEU 19 3.019 -0.267 1.346 141 HG LEU 19 HG LEU 19 0.998 -1.347 -0.582 142 HD11 LEU 19 1HD1 LEU 19 1.374 -3.259 0.946 143 HD12 LEU 19 2HD1 LEU 19 -0.218 -2.531 1.116 144 HD13 LEU 19 3HD1 LEU 19 1.024 -2.193 2.311 145 HD21 LEU 19 3HD2 LEU 19 1.096 0.970 0.630 146 HD22 LEU 19 1HD2 LEU 19 0.502 0.071 2.026 147 HD23 LEU 19 2HD2 LEU 19 -0.438 0.116 0.538 148 H VAL 20 H VAL 20 5.533 -0.484 0.662 149 HA VAL 20 HA VAL 20 5.842 2.270 1.055 150 HB VAL 20 HB VAL 20 7.002 0.654 2.439 151 HG11 VAL 20 1HG1 VAL 20 7.307 -0.953 0.467 152 HG12 VAL 20 2HG1 VAL 20 8.629 -0.863 1.619 153 HG13 VAL 20 3HG1 VAL 20 8.750 -0.028 0.072 154 HG21 VAL 20 3HG2 VAL 20 9.146 1.705 2.520 155 HG22 VAL 20 1HG2 VAL 20 8.028 2.932 1.925 156 HG23 VAL 20 2HG2 VAL 20 9.091 2.091 0.802 157 H ASP 21 H ASP 21 7.390 0.137 -1.347 158 HA ASP 21 HA ASP 21 8.933 2.110 -2.591 159 HB2 ASP 21 2HB ASP 21 9.062 -0.385 -2.952 160 HB3 ASP 21 1HB ASP 21 7.639 -0.244 -3.983 161 H CYS 22 H CYS 22 5.554 1.247 -2.996 162 HA CYS 22 HA CYS 22 5.056 2.680 -5.379 163 HB2 CYS 22 2HB CYS 22 3.487 1.034 -4.333 164 HB3 CYS 22 1HB CYS 22 3.111 2.245 -3.108 165 HG CYS 22 HG CYS 22 1.860 3.612 -4.805 166 H VAL 23 H VAL 23 4.692 3.645 -1.956 167 HA VAL 23 HA VAL 23 3.788 6.272 -2.490 168 HB VAL 23 HB VAL 23 5.446 5.367 -0.151 169 HG11 VAL 23 1HG1 VAL 23 4.852 7.893 -0.617 170 HG12 VAL 23 2HG1 VAL 23 4.648 7.239 0.995 171 HG13 VAL 23 3HG1 VAL 23 3.253 7.423 -0.057 172 HG21 VAL 23 3HG2 VAL 23 2.491 5.100 -0.691 173 HG22 VAL 23 1HG2 VAL 23 3.166 5.035 0.943 174 HG23 VAL 23 2HG2 VAL 23 3.635 3.833 -0.261 175 H ALA 24 H ALA 24 7.088 5.010 -1.838 176 HA ALA 24 HA ALA 24 8.517 7.364 -1.899 177 HB1 ALA 24 1HB ALA 24 10.436 6.067 -2.454 178 HB2 ALA 24 2HB ALA 24 9.462 4.835 -3.256 179 HB3 ALA 24 3HB ALA 24 9.396 5.008 -1.502 180 H GLY 25 H GLY 25 7.653 5.304 -4.665 181 HA2 GLY 25 2HA GLY 25 8.787 6.962 -6.651 182 HA3 GLY 25 1HA GLY 25 7.513 5.777 -6.926 183 H HIS 26 H HIS 26 5.486 6.824 -5.297 184 HA HIS 26 HA HIS 26 4.255 8.665 -6.982 185 HB2 HIS 26 2HB HIS 26 3.799 7.994 -4.072 186 HB3 HIS 26 1HB HIS 26 2.767 9.121 -4.950 187 HD1 HIS 26 1HD HIS 26 3.191 7.298 -7.676 188 HD2 HIS 26 2HD HIS 26 1.591 6.129 -4.009 189 HE1 HIS 26 1HE HIS 26 1.723 5.287 -8.144 190 HE2 HIS 26 2HE HIS 26 0.737 4.565 -5.919 191 H LEU 27 H LEU 27 5.816 9.333 -3.810 192 HA LEU 27 HA LEU 27 5.608 12.203 -4.290 193 HB2 LEU 27 2HB LEU 27 6.972 10.712 -2.039 194 HB3 LEU 27 1HB LEU 27 6.532 12.421 -2.061 195 HG LEU 27 HG LEU 27 4.578 10.108 -2.248 196 HD11 LEU 27 1HD1 LEU 27 3.868 11.024 0.029 197 HD12 LEU 27 2HD1 LEU 27 5.375 11.941 0.023 198 HD13 LEU 27 3HD1 LEU 27 5.417 10.178 -0.010 199 HD21 LEU 27 3HD2 LEU 27 2.980 12.124 -1.695 200 HD22 LEU 27 1HD2 LEU 27 3.516 11.879 -3.356 201 HD23 LEU 27 2HD2 LEU 27 4.289 13.106 -2.351 202 H GLY 28 H GLY 28 8.075 9.692 -4.278 203 HA2 GLY 28 2HA GLY 28 9.983 9.762 -5.694 204 HA3 GLY 28 1HA GLY 28 9.941 11.521 -5.639 205 H LEU 29 H LEU 29 9.316 10.660 -2.551 206 HA LEU 29 HA LEU 29 11.906 11.373 -1.614 207 HB2 LEU 29 2HB LEU 29 9.696 10.079 -0.012 208 HB3 LEU 29 1HB LEU 29 10.997 11.099 0.588 209 HG LEU 29 HG LEU 29 8.795 11.975 -1.298 210 HD11 LEU 29 1HD1 LEU 29 7.847 13.142 0.541 211 HD12 LEU 29 2HD1 LEU 29 9.285 12.903 1.535 212 HD13 LEU 29 3HD1 LEU 29 8.227 11.538 1.169 213 HD21 LEU 29 3HD2 LEU 29 11.237 13.350 -0.173 214 HD22 LEU 29 1HD2 LEU 29 9.811 14.281 -0.632 215 HD23 LEU 29 2HD2 LEU 29 10.658 13.318 -1.839 216 H ASP 30 H ASP 30 12.685 9.848 0.367 217 HA ASP 30 HA ASP 30 13.659 7.448 -0.966 218 HB2 ASP 30 2HB ASP 30 14.255 8.806 1.654 219 HB3 ASP 30 1HB ASP 30 14.868 7.191 1.310 220 H ALA 31 H ALA 31 12.943 5.432 -0.664 221 HA ALA 31 HA ALA 31 10.518 4.864 0.602 222 HB1 ALA 31 1HB ALA 31 12.741 3.149 -0.424 223 HB2 ALA 31 2HB ALA 31 11.126 3.386 -1.091 224 HB3 ALA 31 3HB ALA 31 11.341 2.441 0.379 225 H ALA 32 H ALA 32 13.848 4.567 1.760 226 HA ALA 32 HA ALA 32 13.283 3.065 4.081 227 HB1 ALA 32 1HB ALA 32 15.540 3.241 3.212 228 HB2 ALA 32 2HB ALA 32 15.500 3.913 4.844 229 HB3 ALA 32 3HB ALA 32 15.528 4.989 3.447 230 H THR 33 H THR 33 12.562 6.292 3.274 231 HA THR 33 HA THR 33 11.919 6.852 6.115 232 HB THR 33 HB THR 33 12.495 9.298 5.486 233 HG1 THR 33 1HG THR 33 13.425 7.844 3.337 234 HG21 THR 33 3HG2 THR 33 14.940 8.849 6.007 235 HG22 THR 33 1HG2 THR 33 14.572 7.127 5.873 236 HG23 THR 33 2HG2 THR 33 13.796 8.100 7.123 237 H ILE 34 H ILE 34 10.172 5.816 4.092 238 HA ILE 34 HA ILE 34 8.633 8.047 3.077 239 HB ILE 34 HB ILE 34 8.498 5.072 2.963 240 HG12 ILE 34 2HG1 ILE 34 9.489 6.623 1.236 241 HG13 ILE 34 1HG1 ILE 34 8.301 5.480 0.609 242 HG21 ILE 34 1HG2 ILE 34 6.246 5.269 3.622 243 HG22 ILE 34 2HG2 ILE 34 6.183 5.293 1.883 244 HG23 ILE 34 3HG2 ILE 34 6.035 6.801 2.782 245 HD11 ILE 34 3HD1 ILE 34 7.006 7.173 -0.111 246 HD12 ILE 34 1HD1 ILE 34 8.315 8.267 0.302 247 HD13 ILE 34 2HD1 ILE 34 7.028 7.969 1.460 248 H ALA 35 H ALA 35 7.443 5.379 5.100 249 HA ALA 35 HA ALA 35 6.725 6.708 7.383 250 HB1 ALA 35 1HB ALA 35 4.925 7.305 5.068 251 HB2 ALA 35 2HB ALA 35 5.369 8.335 6.434 252 HB3 ALA 35 3HB ALA 35 4.169 7.064 6.643 253 H THR 36 H THR 36 7.147 4.031 5.875 254 HA THR 36 HA THR 36 5.091 2.330 5.781 255 HB THR 36 HB THR 36 6.575 0.570 6.278 256 HG1 THR 36 1HG THR 36 8.527 1.920 7.575 257 HG21 THR 36 3HG2 THR 36 8.507 2.817 5.691 258 HG22 THR 36 1HG2 THR 36 7.356 2.240 4.486 259 HG23 THR 36 2HG2 THR 36 8.577 1.145 5.134 260 H ASP 37 H ASP 37 6.423 3.689 8.772 261 HA ASP 37 HA ASP 37 4.521 2.142 10.381 262 HB2 ASP 37 2HB ASP 37 5.757 3.182 12.280 263 HB3 ASP 37 1HB ASP 37 6.805 2.252 11.210 264 H LEU 38 H LEU 38 4.925 5.237 8.946 265 HA LEU 38 HA LEU 38 2.966 6.475 10.750 266 HB2 LEU 38 2HB LEU 38 4.966 7.534 8.780 267 HB3 LEU 38 1HB LEU 38 3.604 8.542 9.245 268 HG LEU 38 HG LEU 38 5.278 7.189 11.367 269 HD11 LEU 38 1HD1 LEU 38 6.867 8.363 9.884 270 HD12 LEU 38 2HD1 LEU 38 6.725 9.183 11.440 271 HD13 LEU 38 3HD1 LEU 38 5.904 9.834 10.020 272 HD21 LEU 38 3HD2 LEU 38 3.568 9.684 11.183 273 HD22 LEU 38 1HD2 LEU 38 4.621 9.350 12.556 274 HD23 LEU 38 2HD2 LEU 38 3.290 8.259 12.182 275 HA PRO 39 HA PRO 39 -0.293 6.079 7.799 276 HB2 PRO 39 2HB PRO 39 -1.754 8.348 8.313 277 HB3 PRO 39 1HB PRO 39 -1.731 6.939 9.390 278 HG2 PRO 39 2HG PRO 39 -0.206 9.493 9.595 279 HG3 PRO 39 1HG PRO 39 -1.029 8.571 10.867 280 HD2 PRO 39 2HD PRO 39 1.662 8.443 10.509 281 HD3 PRO 39 1HD PRO 39 0.721 7.048 11.079 282 H LEU 40 H LEU 40 -1.552 7.595 6.172 283 HA LEU 40 HA LEU 40 0.381 8.548 4.299 284 HB2 LEU 40 2HB LEU 40 -1.656 9.135 2.937 285 HB3 LEU 40 1HB LEU 40 -1.554 7.447 3.430 286 HG LEU 40 HG LEU 40 -2.960 8.454 5.556 287 HD11 LEU 40 1HD1 LEU 40 -4.660 9.995 4.668 288 HD12 LEU 40 2HD1 LEU 40 -3.780 10.076 3.146 289 HD13 LEU 40 3HD1 LEU 40 -3.056 10.720 4.623 290 HD21 LEU 40 3HD2 LEU 40 -4.211 7.710 2.910 291 HD22 LEU 40 1HD2 LEU 40 -4.947 7.560 4.503 292 HD23 LEU 40 2HD2 LEU 40 -3.576 6.541 4.067 293 H THR 41 H THR 41 -1.545 9.977 6.772 294 HA THR 41 HA THR 41 -1.920 12.558 5.868 295 HB THR 41 HB THR 41 -1.918 13.241 8.218 296 HG1 THR 41 1HG THR 41 -0.270 12.213 9.141 297 HG21 THR 41 3HG2 THR 41 -3.808 11.891 7.226 298 HG22 THR 41 1HG2 THR 41 -3.661 11.765 8.980 299 HG23 THR 41 2HG2 THR 41 -3.077 10.458 7.951 300 H SER 42 H SER 42 1.032 11.082 7.193 301 HA SER 42 HA SER 42 2.586 13.260 7.674 302 HB2 SER 42 2HB SER 42 3.496 11.113 8.119 303 HB3 SER 42 1HB SER 42 3.244 10.578 6.459 304 HG SER 42 HG SER 42 4.720 12.764 6.372 305 H TYR 43 H TYR 43 1.622 11.974 4.545 306 HA TYR 43 HA TYR 43 3.488 13.509 3.005 307 HB2 TYR 43 2HB TYR 43 0.846 12.385 2.062 308 HB3 TYR 43 1HB TYR 43 2.292 12.686 1.104 309 HD1 TYR 43 1HD TYR 43 4.364 11.539 3.083 310 HD2 TYR 43 2HD TYR 43 0.577 10.050 1.688 311 HE1 TYR 43 1HE TYR 43 5.107 9.239 3.536 312 HE2 TYR 43 2HE TYR 43 1.335 7.738 2.145 313 HH TYR 43 HH TYR 43 2.970 6.451 2.887 314 H GLY 44 H GLY 44 0.820 14.389 4.776 315 HA2 GLY 44 2HA GLY 44 -0.336 16.371 4.967 316 HA3 GLY 44 1HA GLY 44 0.904 17.078 3.934 317 H LEU 45 H LEU 45 -0.665 14.350 2.611 318 HA LEU 45 HA LEU 45 -1.767 15.873 0.462 319 HB2 LEU 45 2HB LEU 45 -2.099 13.842 -0.553 320 HB3 LEU 45 1HB LEU 45 -0.910 13.334 0.630 321 HG LEU 45 HG LEU 45 -3.932 13.078 0.958 322 HD11 LEU 45 1HD1 LEU 45 -3.290 10.581 0.903 323 HD12 LEU 45 2HD1 LEU 45 -1.817 11.133 0.099 324 HD13 LEU 45 3HD1 LEU 45 -3.393 11.458 -0.624 325 HD21 LEU 45 3HD2 LEU 45 -2.092 13.265 2.987 326 HD22 LEU 45 1HD2 LEU 45 -2.059 11.537 2.673 327 HD23 LEU 45 2HD2 LEU 45 -3.572 12.341 3.083 328 H ASP 46 H ASP 46 -3.806 16.519 0.088 329 HA ASP 46 HA ASP 46 -5.635 16.721 2.264 330 HB2 ASP 46 2HB ASP 46 -5.422 18.302 0.265 331 HB3 ASP 46 1HB ASP 46 -6.330 17.099 -0.646 332 H SER 47 H SER 47 -7.932 15.946 2.114 333 HA SER 47 HA SER 47 -8.058 13.137 1.973 334 HB2 SER 47 2HB SER 47 -10.383 15.064 1.832 335 HB3 SER 47 1HB SER 47 -10.429 13.385 2.365 336 HG SER 47 HG SER 47 -8.929 14.030 4.031 337 H VAL 48 H VAL 48 -8.785 15.624 -0.388 338 HA VAL 48 HA VAL 48 -10.183 13.939 -2.221 339 HB VAL 48 HB VAL 48 -9.615 15.801 -3.860 340 HG11 VAL 48 1HG1 VAL 48 -10.947 16.401 -1.205 341 HG12 VAL 48 2HG1 VAL 48 -11.723 15.842 -2.687 342 HG13 VAL 48 3HG1 VAL 48 -11.046 17.468 -2.606 343 HG21 VAL 48 3HG2 VAL 48 -8.562 17.145 -1.358 344 HG22 VAL 48 1HG2 VAL 48 -8.563 17.788 -3.000 345 HG23 VAL 48 2HG2 VAL 48 -7.508 16.438 -2.582 346 H TYR 49 H TYR 49 -6.829 14.599 -1.578 347 HA TYR 49 HA TYR 49 -5.803 13.645 -4.069 348 HB2 TYR 49 2HB TYR 49 -4.655 15.058 -2.145 349 HB3 TYR 49 1HB TYR 49 -4.195 13.465 -1.533 350 HD1 TYR 49 2HD TYR 49 -4.291 15.361 -4.778 351 HD2 TYR 49 1HD TYR 49 -2.206 12.532 -2.317 352 HE1 TYR 49 2HE TYR 49 -2.461 15.247 -6.448 353 HE2 TYR 49 1HE TYR 49 -0.384 12.422 -3.961 354 HH TYR 49 HH TYR 49 -0.683 13.560 -7.101 355 H ALA 50 H ALA 50 -6.166 12.157 -0.853 356 HA ALA 50 HA ALA 50 -5.053 9.668 -1.343 357 HB1 ALA 50 1HB ALA 50 -6.500 8.825 0.444 358 HB2 ALA 50 2HB ALA 50 -7.513 10.264 0.318 359 HB3 ALA 50 3HB ALA 50 -5.844 10.406 0.871 360 H LEU 51 H LEU 51 -8.196 10.925 -2.296 361 HA LEU 51 HA LEU 51 -9.449 8.520 -2.995 362 HB2 LEU 51 2HB LEU 51 -10.642 10.648 -2.874 363 HB3 LEU 51 1HB LEU 51 -9.707 11.276 -4.230 364 HG LEU 51 HG LEU 51 -11.050 8.686 -4.801 365 HD11 LEU 51 1HD1 LEU 51 -12.632 11.174 -4.123 366 HD12 LEU 51 2HD1 LEU 51 -12.845 9.545 -3.480 367 HD13 LEU 51 3HD1 LEU 51 -13.268 9.894 -5.156 368 HD21 LEU 51 3HD2 LEU 51 -11.402 9.685 -6.923 369 HD22 LEU 51 1HD2 LEU 51 -9.845 10.334 -6.403 370 HD23 LEU 51 2HD2 LEU 51 -11.302 11.319 -6.268 371 H SER 52 H SER 52 -7.638 10.786 -5.083 372 HA SER 52 HA SER 52 -7.722 9.130 -7.380 373 HB2 SER 52 2HB SER 52 -7.246 11.558 -7.447 374 HB3 SER 52 1HB SER 52 -5.700 11.259 -6.641 375 HG SER 52 HG SER 52 -5.052 11.042 -8.646 376 H ILE 53 H ILE 53 -5.278 9.608 -4.856 377 HA ILE 53 HA ILE 53 -3.314 7.909 -5.966 378 HB ILE 53 HB ILE 53 -3.822 8.550 -3.049 379 HG12 ILE 53 2HG1 ILE 53 -3.602 10.516 -4.774 380 HG13 ILE 53 1HG1 ILE 53 -2.625 10.541 -3.311 381 HG21 ILE 53 1HG2 ILE 53 -1.184 8.340 -3.146 382 HG22 ILE 53 2HG2 ILE 53 -1.521 7.344 -4.563 383 HG23 ILE 53 3HG2 ILE 53 -2.189 6.903 -2.991 384 HD11 ILE 53 3HD1 ILE 53 -1.524 11.010 -5.654 385 HD12 ILE 53 1HD1 ILE 53 -1.489 9.255 -5.769 386 HD13 ILE 53 2HD1 ILE 53 -0.658 10.068 -4.446 387 H ALA 54 H ALA 54 -5.544 7.293 -3.247 388 HA ALA 54 HA ALA 54 -4.996 4.626 -2.835 389 HB1 ALA 54 1HB ALA 54 -7.783 5.799 -2.762 390 HB2 ALA 54 2HB ALA 54 -6.581 6.060 -1.499 391 HB3 ALA 54 3HB ALA 54 -7.169 4.432 -1.831 392 H ALA 55 H ALA 55 -6.978 6.108 -5.329 393 HA ALA 55 HA ALA 55 -8.101 3.687 -6.349 394 HB1 ALA 55 1HB ALA 55 -8.896 6.081 -6.783 395 HB2 ALA 55 2HB ALA 55 -8.883 4.986 -8.166 396 HB3 ALA 55 3HB ALA 55 -7.596 6.178 -7.972 397 H GLU 56 H GLU 56 -5.271 5.613 -7.274 398 HA GLU 56 HA GLU 56 -4.511 4.043 -9.502 399 HB2 GLU 56 2HB GLU 56 -3.647 6.341 -8.920 400 HB3 GLU 56 1HB GLU 56 -2.635 5.576 -7.697 401 HG2 GLU 56 2HG GLU 56 -1.279 5.792 -9.661 402 HG3 GLU 56 1HG GLU 56 -1.719 4.090 -9.545 403 H LEU 57 H LEU 57 -3.469 3.928 -6.102 404 HA LEU 57 HA LEU 57 -1.562 1.877 -6.329 405 HB2 LEU 57 2HB LEU 57 -3.306 2.933 -4.110 406 HB3 LEU 57 1HB LEU 57 -2.405 1.452 -3.823 407 HG LEU 57 HG LEU 57 -0.329 2.742 -4.633 408 HD11 LEU 57 1HD1 LEU 57 -0.513 5.208 -4.431 409 HD12 LEU 57 2HD1 LEU 57 -2.247 5.020 -4.237 410 HD13 LEU 57 3HD1 LEU 57 -1.485 4.570 -5.756 411 HD21 LEU 57 3HD2 LEU 57 -0.187 4.021 -2.430 412 HD22 LEU 57 1HD2 LEU 57 -0.529 2.296 -2.301 413 HD23 LEU 57 2HD2 LEU 57 -1.833 3.470 -2.121 414 H GLU 58 H GLU 58 -4.918 1.526 -5.151 415 HA GLU 58 HA GLU 58 -4.924 -1.283 -5.193 416 HB2 GLU 58 2HB GLU 58 -7.405 -1.082 -5.201 417 HB3 GLU 58 1HB GLU 58 -6.611 -0.080 -4.004 418 HG2 GLU 58 2HG GLU 58 -7.915 1.601 -4.881 419 HG3 GLU 58 1HG GLU 58 -6.684 1.648 -6.120 420 H ASP 59 H ASP 59 -5.670 1.047 -7.742 421 HA ASP 59 HA ASP 59 -6.840 -0.720 -9.587 422 HB2 ASP 59 2HB ASP 59 -5.335 1.878 -9.846 423 HB3 ASP 59 1HB ASP 59 -5.826 1.001 -11.288 424 H HIS 60 H HIS 60 -3.546 -0.226 -8.642 425 HA HIS 60 HA HIS 60 -2.371 -1.505 -10.941 426 HB2 HIS 60 2HB HIS 60 -1.390 -0.468 -8.343 427 HB3 HIS 60 1HB HIS 60 -0.424 -1.758 -9.045 428 HD1 HIS 60 1HD HIS 60 -1.886 1.632 -9.952 429 HD2 HIS 60 2HD HIS 60 1.205 -0.902 -11.135 430 HE1 HIS 60 1HE HIS 60 -0.525 2.913 -11.658 431 HE2 HIS 60 2HE HIS 60 1.365 1.384 -12.390 432 H LEU 61 H LEU 61 -3.469 -2.620 -7.776 433 HA LEU 61 HA LEU 61 -2.580 -5.360 -8.402 434 HB2 LEU 61 2HB LEU 61 -3.884 -4.385 -5.859 435 HB3 LEU 61 1HB LEU 61 -2.997 -5.877 -6.103 436 HG LEU 61 HG LEU 61 -1.506 -4.383 -4.976 437 HD11 LEU 61 1HD1 LEU 61 0.323 -4.313 -6.471 438 HD12 LEU 61 2HD1 LEU 61 -0.720 -4.067 -7.872 439 HD13 LEU 61 3HD1 LEU 61 -0.681 -5.637 -7.066 440 HD21 LEU 61 3HD2 LEU 61 -3.004 -2.359 -6.060 441 HD22 LEU 61 1HD2 LEU 61 -1.526 -2.234 -7.012 442 HD23 LEU 61 2HD2 LEU 61 -1.461 -2.132 -5.265 443 H ASP 62 H ASP 62 -4.890 -3.937 -9.752 444 HA ASP 62 HA ASP 62 -7.091 -4.330 -10.297 445 HB2 ASP 62 2HB ASP 62 -5.960 -7.089 -9.868 446 HB3 ASP 62 1HB ASP 62 -7.530 -6.784 -10.598 447 H VAL 63 H VAL 63 -7.414 -3.384 -7.958 448 HA VAL 63 HA VAL 63 -9.446 -5.049 -6.721 449 HB VAL 63 HB VAL 63 -8.348 -4.543 -4.406 450 HG11 VAL 63 1HG1 VAL 63 -7.201 -6.644 -4.434 451 HG12 VAL 63 2HG1 VAL 63 -6.944 -6.557 -6.174 452 HG13 VAL 63 3HG1 VAL 63 -8.567 -6.811 -5.532 453 HG21 VAL 63 3HG2 VAL 63 -6.545 -3.113 -5.011 454 HG22 VAL 63 1HG2 VAL 63 -6.044 -4.165 -6.325 455 HG23 VAL 63 2HG2 VAL 63 -5.794 -4.656 -4.654 456 H SER 64 H SER 64 -10.693 -3.845 -5.099 457 HA SER 64 HA SER 64 -10.562 -0.906 -5.536 458 HB2 SER 64 2HB SER 64 -13.005 -0.894 -5.304 459 HB3 SER 64 1HB SER 64 -12.511 -1.924 -6.643 460 HG SER 64 HG SER 64 -13.056 -2.819 -4.002 461 H LEU 65 H LEU 65 -10.863 0.408 -3.760 462 HA LEU 65 HA LEU 65 -10.775 -0.939 -1.113 463 HB2 LEU 65 2HB LEU 65 -9.890 1.892 -1.699 464 HB3 LEU 65 1HB LEU 65 -9.476 0.873 -0.321 465 HG LEU 65 HG LEU 65 -8.657 0.370 -3.172 466 HD11 LEU 65 1HD1 LEU 65 -7.225 2.082 -2.573 467 HD12 LEU 65 2HD1 LEU 65 -6.325 0.736 -1.873 468 HD13 LEU 65 3HD1 LEU 65 -7.357 1.735 -0.850 469 HD21 LEU 65 3HD2 LEU 65 -7.124 -1.312 -1.988 470 HD22 LEU 65 1HD2 LEU 65 -8.829 -1.739 -2.116 471 HD23 LEU 65 2HD2 LEU 65 -8.191 -1.115 -0.595 472 H ASP 66 H ASP 66 -11.852 0.169 0.642 473 HA ASP 66 HA ASP 66 -14.349 1.428 -0.257 474 HB2 ASP 66 2HB ASP 66 -13.517 -0.320 1.963 475 HB3 ASP 66 1HB ASP 66 -14.583 0.986 2.480 476 HA PRO 67 HA PRO 67 -13.361 5.481 1.081 477 HB2 PRO 67 2HB PRO 67 -15.627 6.180 2.549 478 HB3 PRO 67 1HB PRO 67 -15.528 6.189 0.779 479 HG2 PRO 67 2HG PRO 67 -16.629 4.092 2.600 480 HG3 PRO 67 1HG PRO 67 -17.279 4.709 1.065 481 HD2 PRO 67 2HD PRO 67 -15.985 2.359 1.156 482 HD3 PRO 67 1HD PRO 67 -15.773 3.455 -0.230 483 H THR 68 H THR 68 -15.273 4.426 3.882 484 HA THR 68 HA THR 68 -13.585 5.613 5.786 485 HB THR 68 HB THR 68 -15.450 3.270 6.232 486 HG1 THR 68 1HG THR 68 -16.129 5.974 6.552 487 HG21 THR 68 3HG2 THR 68 -14.266 5.417 7.997 488 HG22 THR 68 1HG2 THR 68 -14.160 3.667 8.189 489 HG23 THR 68 2HG2 THR 68 -15.692 4.493 8.464 490 H LEU 69 H LEU 69 -13.274 2.704 4.036 491 HA LEU 69 HA LEU 69 -11.703 1.234 5.924 492 HB2 LEU 69 2HB LEU 69 -12.923 0.176 4.068 493 HB3 LEU 69 1HB LEU 69 -11.841 0.952 2.914 494 HG LEU 69 HG LEU 69 -10.778 -0.775 5.160 495 HD11 LEU 69 1HD1 LEU 69 -11.535 -1.689 2.373 496 HD12 LEU 69 2HD1 LEU 69 -12.427 -2.080 3.843 497 HD13 LEU 69 3HD1 LEU 69 -10.781 -2.676 3.625 498 HD21 LEU 69 3HD2 LEU 69 -8.852 0.043 4.271 499 HD22 LEU 69 1HD2 LEU 69 -9.644 0.639 2.814 500 HD23 LEU 69 2HD2 LEU 69 -9.144 -1.044 2.923 501 H ILE 70 H ILE 70 -10.945 3.417 3.230 502 HA ILE 70 HA ILE 70 -8.172 3.036 3.174 503 HB ILE 70 HB ILE 70 -9.862 5.464 2.557 504 HG12 ILE 70 2HG1 ILE 70 -8.316 3.708 0.641 505 HG13 ILE 70 1HG1 ILE 70 -9.920 3.242 1.186 506 HG21 ILE 70 1HG2 ILE 70 -6.886 5.013 2.309 507 HG22 ILE 70 2HG2 ILE 70 -7.727 6.384 3.033 508 HG23 ILE 70 3HG2 ILE 70 -7.733 6.172 1.281 509 HD11 ILE 70 3HD1 ILE 70 -9.791 4.609 -0.988 510 HD12 ILE 70 1HD1 ILE 70 -9.376 5.982 0.039 511 HD13 ILE 70 2HD1 ILE 70 -10.932 5.170 0.235 512 H TRP 71 H TRP 71 -10.167 5.143 5.185 513 HA TRP 71 HA TRP 71 -7.910 6.333 6.530 514 HB2 TRP 71 2HB TRP 71 -10.872 6.329 7.123 515 HB3 TRP 71 1HB TRP 71 -9.683 7.203 8.090 516 HD1 TRP 71 HD TRP 71 -11.702 7.450 4.971 517 HE1 TRP 71 1HE TRP 71 -11.080 9.592 3.679 518 HE3 TRP 71 3HE TRP 71 -7.493 8.825 7.515 519 HZ2 TRP 71 2HZ TRP 71 -9.063 11.620 3.717 520 HZ3 TRP 71 3HZ TRP 71 -6.242 10.864 6.868 521 HH2 TRP 71 HH TRP 71 -7.019 12.262 4.973 522 H ASP 72 H ASP 72 -9.351 3.302 6.691 523 HA ASP 72 HA ASP 72 -8.927 2.906 9.566 524 HB2 ASP 72 2HB ASP 72 -9.872 1.024 7.382 525 HB3 ASP 72 1HB ASP 72 -9.694 0.580 9.077 526 H HIS 73 H HIS 73 -7.468 2.041 6.477 527 HA HIS 73 HA HIS 73 -5.147 0.880 7.932 528 HB2 HIS 73 2HB HIS 73 -5.972 0.175 5.114 529 HB3 HIS 73 1HB HIS 73 -4.824 -0.664 6.160 530 HD1 HIS 73 1HD HIS 73 -6.704 -0.524 8.742 531 HD2 HIS 73 2HD HIS 73 -7.802 -1.985 4.995 532 HE1 HIS 73 1HE HIS 73 -8.668 -2.077 9.125 533 HE2 HIS 73 2HE HIS 73 -9.345 -2.981 6.851 534 HA PRO 74 HA PRO 74 -3.893 4.558 5.233 535 HB2 PRO 74 2HB PRO 74 -3.149 6.286 7.211 536 HB3 PRO 74 1HB PRO 74 -4.819 6.165 6.627 537 HG2 PRO 74 2HG PRO 74 -3.590 4.938 9.059 538 HG3 PRO 74 1HG PRO 74 -5.149 5.767 8.883 539 HD2 PRO 74 2HD PRO 74 -4.949 3.033 8.890 540 HD3 PRO 74 1HD PRO 74 -6.185 3.916 7.964 541 H THR 75 H THR 75 -2.612 2.343 7.316 542 HA THR 75 HA THR 75 0.187 3.272 6.922 543 HB THR 75 HB THR 75 0.693 1.645 8.797 544 HG1 THR 75 1HG THR 75 -1.573 0.747 8.456 545 HG21 THR 75 3HG2 THR 75 0.659 4.027 9.215 546 HG22 THR 75 1HG2 THR 75 -0.163 3.221 10.551 547 HG23 THR 75 2HG2 THR 75 -1.103 4.032 9.297 548 H ILE 76 H ILE 76 1.761 1.698 6.417 549 HA ILE 76 HA ILE 76 0.977 -0.096 4.356 550 HB ILE 76 HB ILE 76 3.597 0.202 5.845 551 HG12 ILE 76 2HG1 ILE 76 2.551 1.142 3.156 552 HG13 ILE 76 1HG1 ILE 76 3.020 2.146 4.524 553 HG21 ILE 76 1HG2 ILE 76 4.579 -1.157 4.022 554 HG22 ILE 76 2HG2 ILE 76 2.971 -1.420 3.357 555 HG23 ILE 76 3HG2 ILE 76 3.399 -2.091 4.923 556 HD11 ILE 76 3HD1 ILE 76 5.332 0.728 4.120 557 HD12 ILE 76 1HD1 ILE 76 4.999 2.307 3.405 558 HD13 ILE 76 2HD1 ILE 76 4.699 0.843 2.483 559 H ASP 77 H ASP 77 1.928 -0.560 7.732 560 HA ASP 77 HA ASP 77 2.092 -3.323 7.809 561 HB2 ASP 77 2HB ASP 77 2.674 -1.913 9.716 562 HB3 ASP 77 1HB ASP 77 0.984 -1.448 9.913 563 H ALA 78 H ALA 78 -0.800 -1.283 8.290 564 HA ALA 78 HA ALA 78 -2.575 -3.491 8.591 565 HB1 ALA 78 1HB ALA 78 -3.096 -0.603 7.852 566 HB2 ALA 78 2HB ALA 78 -3.158 -1.299 9.472 567 HB3 ALA 78 3HB ALA 78 -4.345 -1.779 8.259 568 H LEU 79 H LEU 79 -1.837 -1.314 5.861 569 HA LEU 79 HA LEU 79 -3.665 -2.440 4.060 570 HB2 LEU 79 2HB LEU 79 -2.007 -0.307 3.965 571 HB3 LEU 79 1HB LEU 79 -1.065 -1.417 2.987 572 HG LEU 79 HG LEU 79 -2.478 -0.214 1.473 573 HD11 LEU 79 1HD1 LEU 79 -4.062 -2.751 1.812 574 HD12 LEU 79 2HD1 LEU 79 -2.379 -2.821 1.329 575 HD13 LEU 79 3HD1 LEU 79 -3.533 -1.954 0.332 576 HD21 LEU 79 3HD2 LEU 79 -5.054 -1.092 2.726 577 HD22 LEU 79 1HD2 LEU 79 -4.663 0.404 1.886 578 HD23 LEU 79 2HD2 LEU 79 -4.188 0.191 3.567 579 H SER 80 H SER 80 -0.237 -3.178 4.628 580 HA SER 80 HA SER 80 0.060 -5.125 2.627 581 HB2 SER 80 2HB SER 80 1.986 -5.901 3.965 582 HB3 SER 80 1HB SER 80 1.967 -4.147 3.804 583 HG SER 80 HG SER 80 2.312 -5.065 5.985 584 H THR 81 H THR 81 -0.782 -5.453 6.063 585 HA THR 81 HA THR 81 -1.029 -8.232 6.165 586 HB THR 81 HB THR 81 -2.613 -6.133 7.661 587 HG1 THR 81 1HG THR 81 -0.704 -5.879 8.486 588 HG21 THR 81 3HG2 THR 81 -2.759 -8.097 9.341 589 HG22 THR 81 1HG2 THR 81 -2.378 -9.126 7.961 590 HG23 THR 81 2HG2 THR 81 -3.835 -8.131 7.943 591 H ALA 82 H ALA 82 -3.375 -5.769 5.216 592 HA ALA 82 HA ALA 82 -5.534 -7.592 4.812 593 HB1 ALA 82 1HB ALA 82 -5.705 -5.073 5.121 594 HB2 ALA 82 2HB ALA 82 -6.691 -5.758 3.830 595 HB3 ALA 82 3HB ALA 82 -5.185 -4.924 3.442 596 H LEU 83 H LEU 83 -3.042 -6.204 2.640 597 HA LEU 83 HA LEU 83 -4.124 -7.194 0.247 598 HB2 LEU 83 2HB LEU 83 -2.097 -5.523 0.836 599 HB3 LEU 83 1HB LEU 83 -1.143 -6.977 0.539 600 HG LEU 83 HG LEU 83 -3.160 -5.747 -1.365 601 HD11 LEU 83 1HD1 LEU 83 -1.273 -4.392 -1.528 602 HD12 LEU 83 2HD1 LEU 83 -0.904 -5.627 -2.731 603 HD13 LEU 83 3HD1 LEU 83 -0.164 -5.701 -1.133 604 HD21 LEU 83 3HD2 LEU 83 -2.074 -7.507 -2.921 605 HD22 LEU 83 1HD2 LEU 83 -3.245 -8.089 -1.735 606 HD23 LEU 83 2HD2 LEU 83 -1.514 -8.281 -1.439 607 H VAL 84 H VAL 84 -1.572 -8.564 2.365 608 HA VAL 84 HA VAL 84 -1.192 -10.919 0.858 609 HB VAL 84 HB VAL 84 0.362 -10.127 2.613 610 HG11 VAL 84 1HG1 VAL 84 -1.789 -11.077 4.529 611 HG12 VAL 84 2HG1 VAL 84 -1.368 -9.403 4.205 612 HG13 VAL 84 3HG1 VAL 84 -0.197 -10.461 4.969 613 HG21 VAL 84 3HG2 VAL 84 0.607 -12.435 2.004 614 HG22 VAL 84 1HG2 VAL 84 -0.815 -12.904 2.935 615 HG23 VAL 84 2HG2 VAL 84 0.642 -12.382 3.765 616 H ALA 85 H ALA 85 -3.552 -10.005 3.316 617 HA ALA 85 HA ALA 85 -4.571 -12.554 3.915 618 HB1 ALA 85 1HB ALA 85 -5.139 -10.334 5.042 619 HB2 ALA 85 2HB ALA 85 -6.490 -11.434 4.763 620 HB3 ALA 85 3HB ALA 85 -6.247 -10.051 3.697 621 H GLU 86 H GLU 86 -5.186 -10.357 1.224 622 HA GLU 86 HA GLU 86 -7.446 -11.578 0.096 623 HB2 GLU 86 2HB GLU 86 -5.087 -10.355 -1.365 624 HB3 GLU 86 1HB GLU 86 -6.679 -10.662 -2.055 625 HG2 GLU 86 2HG GLU 86 -6.166 -8.887 0.333 626 HG3 GLU 86 1HG GLU 86 -6.390 -8.301 -1.308 627 H LEU 87 H LEU 87 -4.251 -12.796 0.416 628 HA LEU 87 HA LEU 87 -4.640 -14.821 -1.690 629 HB2 LEU 87 2HB LEU 87 -2.438 -13.498 -1.363 630 HB3 LEU 87 1HB LEU 87 -2.182 -14.535 0.035 631 HG LEU 87 HG LEU 87 -2.557 -16.523 -1.507 632 HD11 LEU 87 1HD1 LEU 87 -1.876 -15.756 -3.975 633 HD12 LEU 87 2HD1 LEU 87 -2.682 -14.269 -3.483 634 HD13 LEU 87 3HD1 LEU 87 -3.557 -15.798 -3.462 635 HD21 LEU 87 3HD2 LEU 87 -0.330 -16.036 -0.810 636 HD22 LEU 87 1HD2 LEU 87 -0.239 -14.615 -1.849 637 HD23 LEU 87 2HD2 LEU 87 -0.238 -16.230 -2.563 638 H ARG 88 H ARG 88 -4.924 -14.399 1.688 639 HA ARG 88 HA ARG 88 -4.509 -17.201 2.359 640 HB2 ARG 88 2HB ARG 88 -5.482 -14.848 3.999 641 HB3 ARG 88 1HB ARG 88 -5.174 -16.460 4.645 642 HG2 ARG 88 2HG ARG 88 -2.966 -15.184 3.060 643 HG3 ARG 88 1HG ARG 88 -3.292 -14.520 4.659 644 HD2 ARG 88 2HD ARG 88 -1.599 -16.289 4.802 645 HD3 ARG 88 1HD ARG 88 -3.066 -16.770 5.649 646 HE ARG 88 HE ARG 88 -3.417 -18.424 4.033 647 HH11 ARG 88 1HH2 ARG 88 -0.884 -16.245 3.124 648 HH12 ARG 88 2HH2 ARG 88 -0.341 -17.213 1.795 649 HH21 ARG 88 1HH1 ARG 88 -2.715 -19.693 2.288 650 HH22 ARG 88 2HH1 ARG 88 -1.379 -19.166 1.321 651 H SER 89 H SER 89 -6.924 -15.565 0.854 652 HA SER 89 HA SER 89 -8.923 -17.573 1.655 653 HB2 SER 89 2HB SER 89 -9.563 -15.753 3.052 654 HB3 SER 89 1HB SER 89 -9.300 -14.577 1.767 655 HG SER 89 HG SER 89 -11.097 -16.678 1.329 656 H ALA 90 H ALA 90 -7.221 -17.106 -0.709 657 HA ALA 90 HA ALA 90 -7.378 -17.063 -3.005 658 HB1 ALA 90 1HB ALA 90 -9.217 -18.270 -3.936 659 HB2 ALA 90 2HB ALA 90 -10.244 -17.903 -2.551 660 HB3 ALA 90 3HB ALA 90 -8.880 -19.006 -2.369 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -10.827 -14.475 -11.756 2 H2 GLY 1 2HT GLY 1 -12.358 -15.211 -11.751 3 H3 GLY 1 3HT GLY 1 -11.392 -15.240 -10.351 4 HA2 GLY 1 2HA GLY 1 -13.304 -13.346 -11.083 5 HA3 GLY 1 1HA GLY 1 -12.274 -13.352 -9.652 6 H HIS 2 H HIS 2 -10.059 -12.486 -9.919 7 HA HIS 2 HA HIS 2 -10.065 -10.169 -11.758 8 HB2 HIS 2 2HB HIS 2 -8.492 -10.729 -9.234 9 HB3 HIS 2 1HB HIS 2 -8.284 -9.299 -10.247 10 HD1 HIS 2 1HD HIS 2 -10.853 -11.006 -8.051 11 HD2 HIS 2 2HD HIS 2 -10.253 -7.325 -9.914 12 HE1 HIS 2 1HE HIS 2 -12.654 -9.456 -7.174 13 HE2 HIS 2 2HE HIS 2 -12.302 -7.208 -8.300 14 H MET 3 H MET 3 -8.706 -10.100 -13.426 15 HA MET 3 HA MET 3 -6.806 -12.284 -13.810 16 HB2 MET 3 2HB MET 3 -8.329 -11.478 -15.641 17 HB3 MET 3 1HB MET 3 -7.422 -9.966 -15.652 18 HG2 MET 3 2HG MET 3 -5.364 -11.152 -16.196 19 HG3 MET 3 1HG MET 3 -6.189 -12.704 -16.062 20 HE1 MET 3 3HE MET 3 -7.706 -9.324 -17.957 21 HE2 MET 3 1HE MET 3 -6.481 -9.474 -19.224 22 HE3 MET 3 2HE MET 3 -5.996 -9.354 -17.534 23 H SER 4 H SER 4 -5.567 -11.387 -11.890 24 HA SER 4 HA SER 4 -4.049 -8.973 -12.294 25 HB2 SER 4 2HB SER 4 -3.987 -11.175 -10.241 26 HB3 SER 4 1HB SER 4 -2.749 -9.920 -10.274 27 HG SER 4 HG SER 4 -5.361 -9.042 -10.487 28 H ASP 5 H ASP 5 -1.835 -8.799 -12.727 29 HA ASP 5 HA ASP 5 -0.654 -11.154 -14.091 30 HB2 ASP 5 2HB ASP 5 -0.234 -8.188 -14.506 31 HB3 ASP 5 1HB ASP 5 0.745 -9.437 -15.272 32 H LEU 6 H LEU 6 -0.540 -9.595 -11.216 33 HA LEU 6 HA LEU 6 2.157 -9.031 -10.777 34 HB2 LEU 6 2HB LEU 6 -0.024 -8.752 -9.245 35 HB3 LEU 6 1HB LEU 6 0.565 -10.260 -8.548 36 HG LEU 6 HG LEU 6 2.143 -7.689 -8.810 37 HD11 LEU 6 1HD1 LEU 6 0.808 -9.122 -6.507 38 HD12 LEU 6 2HD1 LEU 6 0.569 -7.456 -7.041 39 HD13 LEU 6 3HD1 LEU 6 2.081 -7.923 -6.261 40 HD21 LEU 6 3HD2 LEU 6 3.754 -9.389 -8.990 41 HD22 LEU 6 1HD2 LEU 6 2.862 -10.485 -7.933 42 HD23 LEU 6 2HD2 LEU 6 3.709 -9.093 -7.254 43 H SER 7 H SER 7 0.364 -12.073 -10.252 44 HA SER 7 HA SER 7 2.117 -13.911 -11.123 45 HB2 SER 7 2HB SER 7 4.015 -13.350 -9.921 46 HB3 SER 7 1HB SER 7 3.089 -12.747 -8.549 47 HG SER 7 HG SER 7 4.233 -15.058 -8.756 48 H THR 8 H THR 8 -0.226 -12.924 -8.871 49 HA THR 8 HA THR 8 -2.014 -14.009 -7.947 50 HB THR 8 HB THR 8 -1.075 -16.610 -9.137 51 HG1 THR 8 1HG THR 8 -2.609 -15.565 -10.883 52 HG21 THR 8 3HG2 THR 8 -3.383 -17.136 -9.183 53 HG22 THR 8 1HG2 THR 8 -3.854 -15.445 -8.994 54 HG23 THR 8 2HG2 THR 8 -3.145 -16.322 -7.637 55 H ALA 9 H ALA 9 1.208 -14.797 -7.468 56 HA ALA 9 HA ALA 9 0.581 -16.111 -4.884 57 HB1 ALA 9 1HB ALA 9 2.832 -17.303 -5.264 58 HB2 ALA 9 2HB ALA 9 2.636 -16.834 -6.957 59 HB3 ALA 9 3HB ALA 9 1.438 -17.872 -6.184 60 HA PRO 10 HA PRO 10 3.402 -12.266 -4.696 61 HB2 PRO 10 2HB PRO 10 1.659 -10.814 -3.073 62 HB3 PRO 10 1HB PRO 10 1.757 -10.646 -4.836 63 HG2 PRO 10 2HG PRO 10 -0.179 -12.209 -3.190 64 HG3 PRO 10 1HG PRO 10 -0.460 -11.246 -4.654 65 HD2 PRO 10 2HD PRO 10 -0.323 -13.948 -4.744 66 HD3 PRO 10 1HD PRO 10 0.302 -12.943 -6.073 67 H THR 11 H THR 11 4.707 -11.850 -2.891 68 HA THR 11 HA THR 11 4.171 -13.522 -0.502 69 HB THR 11 HB THR 11 6.816 -12.394 -1.445 70 HG1 THR 11 1HG THR 11 7.114 -14.234 -2.501 71 HG21 THR 11 3HG2 THR 11 6.790 -12.899 0.916 72 HG22 THR 11 1HG2 THR 11 7.675 -14.184 0.094 73 HG23 THR 11 2HG2 THR 11 6.013 -14.455 0.619 74 H LEU 12 H LEU 12 4.666 -12.654 1.546 75 HA LEU 12 HA LEU 12 3.647 -10.152 2.109 76 HB2 LEU 12 2HB LEU 12 5.611 -11.893 3.605 77 HB3 LEU 12 1HB LEU 12 5.056 -10.356 4.267 78 HG LEU 12 HG LEU 12 2.695 -11.137 3.992 79 HD11 LEU 12 1HD1 LEU 12 2.555 -13.740 3.759 80 HD12 LEU 12 2HD1 LEU 12 4.148 -13.603 3.021 81 HD13 LEU 12 3HD1 LEU 12 2.770 -12.775 2.298 82 HD21 LEU 12 3HD2 LEU 12 4.364 -13.079 5.620 83 HD22 LEU 12 1HD2 LEU 12 2.714 -12.547 5.948 84 HD23 LEU 12 2HD2 LEU 12 4.056 -11.417 6.124 85 H ASP 13 H ASP 13 7.003 -11.068 1.463 86 HA ASP 13 HA ASP 13 8.082 -8.477 1.994 87 HB2 ASP 13 2HB ASP 13 9.356 -10.475 0.150 88 HB3 ASP 13 1HB ASP 13 10.124 -9.310 1.221 89 H SER 14 H SER 14 6.886 -10.124 -0.925 90 HA SER 14 HA SER 14 7.808 -8.177 -2.772 91 HB2 SER 14 2HB SER 14 6.249 -9.221 -4.314 92 HB3 SER 14 1HB SER 14 7.165 -10.439 -3.436 93 HG SER 14 HG SER 14 4.487 -9.960 -3.463 94 H LEU 15 H LEU 15 4.784 -8.576 -0.948 95 HA LEU 15 HA LEU 15 3.512 -6.350 -2.194 96 HB2 LEU 15 2HB LEU 15 2.904 -7.692 0.449 97 HB3 LEU 15 1HB LEU 15 1.827 -6.614 -0.421 98 HG LEU 15 HG LEU 15 2.921 -9.185 -1.576 99 HD11 LEU 15 1HD1 LEU 15 0.373 -8.568 -0.084 100 HD12 LEU 15 2HD1 LEU 15 1.528 -9.868 0.209 101 HD13 LEU 15 3HD1 LEU 15 0.485 -9.922 -1.215 102 HD21 LEU 15 3HD2 LEU 15 0.973 -7.073 -2.498 103 HD22 LEU 15 1HD2 LEU 15 0.780 -8.733 -3.053 104 HD23 LEU 15 2HD2 LEU 15 2.265 -7.859 -3.400 105 H ARG 16 H ARG 16 4.502 -6.773 1.178 106 HA ARG 16 HA ARG 16 4.372 -4.293 2.187 107 HB2 ARG 16 2HB ARG 16 5.331 -6.139 3.445 108 HB3 ARG 16 1HB ARG 16 6.771 -6.108 2.434 109 HG2 ARG 16 2HG ARG 16 6.078 -3.501 3.708 110 HG3 ARG 16 1HG ARG 16 6.564 -4.770 4.826 111 HD2 ARG 16 2HD ARG 16 8.611 -5.137 3.374 112 HD3 ARG 16 1HD ARG 16 8.155 -3.697 2.480 113 HE ARG 16 HE ARG 16 8.194 -2.999 5.177 114 HH11 ARG 16 1HH2 ARG 16 10.311 -4.147 2.696 115 HH12 ARG 16 2HH2 ARG 16 11.717 -3.369 3.342 116 HH21 ARG 16 1HH1 ARG 16 10.026 -1.974 6.031 117 HH22 ARG 16 2HH1 ARG 16 11.555 -2.137 5.234 118 H VAL 17 H VAL 17 7.165 -5.389 0.220 119 HA VAL 17 HA VAL 17 8.502 -2.903 0.152 120 HB VAL 17 HB VAL 17 9.738 -3.852 -1.748 121 HG11 VAL 17 1HG1 VAL 17 9.149 -5.512 0.695 122 HG12 VAL 17 2HG1 VAL 17 10.652 -4.742 0.205 123 HG13 VAL 17 3HG1 VAL 17 10.137 -6.246 -0.573 124 HG21 VAL 17 3HG2 VAL 17 7.453 -5.767 -1.681 125 HG22 VAL 17 1HG2 VAL 17 8.968 -6.226 -2.429 126 HG23 VAL 17 2HG2 VAL 17 8.043 -4.860 -3.058 127 H TRP 18 H TRP 18 5.964 -4.311 -1.897 128 HA TRP 18 HA TRP 18 6.045 -2.385 -3.960 129 HB2 TRP 18 2HB TRP 18 4.343 -3.651 -4.780 130 HB3 TRP 18 1HB TRP 18 4.483 -4.629 -3.327 131 HD1 TRP 18 HD TRP 18 2.499 -4.479 -1.580 132 HE1 TRP 18 1HE TRP 18 0.350 -3.160 -1.429 133 HE3 TRP 18 3HE TRP 18 3.162 -1.256 -5.503 134 HZ2 TRP 18 2HZ TRP 18 -0.949 -1.050 -2.747 135 HZ3 TRP 18 3HZ TRP 18 1.411 0.392 -6.015 136 HH2 TRP 18 HH TRP 18 -0.637 0.479 -4.627 137 H LEU 19 H LEU 19 4.055 -2.497 -1.005 138 HA LEU 19 HA LEU 19 2.604 -0.147 -1.394 139 HB2 LEU 19 2HB LEU 19 3.280 -1.921 0.840 140 HB3 LEU 19 1HB LEU 19 3.054 -0.262 1.365 141 HG LEU 19 HG LEU 19 0.983 -1.286 -0.526 142 HD11 LEU 19 1HD1 LEU 19 -0.205 -2.511 1.155 143 HD12 LEU 19 2HD1 LEU 19 1.067 -2.233 2.334 144 HD13 LEU 19 3HD1 LEU 19 1.372 -3.244 0.917 145 HD21 LEU 19 3HD2 LEU 19 1.135 0.986 0.736 146 HD22 LEU 19 1HD2 LEU 19 0.576 0.068 2.134 147 HD23 LEU 19 2HD2 LEU 19 -0.413 0.159 0.678 148 H VAL 20 H VAL 20 5.544 -0.485 0.637 149 HA VAL 20 HA VAL 20 5.864 2.261 1.076 150 HB VAL 20 HB VAL 20 7.059 0.589 2.379 151 HG11 VAL 20 1HG1 VAL 20 7.350 -0.929 0.329 152 HG12 VAL 20 2HG1 VAL 20 8.691 -0.870 1.463 153 HG13 VAL 20 3HG1 VAL 20 8.775 0.033 -0.049 154 HG21 VAL 20 3HG2 VAL 20 9.064 2.166 0.749 155 HG22 VAL 20 1HG2 VAL 20 9.225 1.644 2.426 156 HG23 VAL 20 2HG2 VAL 20 8.050 2.888 1.997 157 H ASP 21 H ASP 21 7.313 0.172 -1.424 158 HA ASP 21 HA ASP 21 8.821 2.163 -2.680 159 HB2 ASP 21 2HB ASP 21 9.048 -0.253 -3.157 160 HB3 ASP 21 1HB ASP 21 7.467 -0.240 -3.938 161 H CYS 22 H CYS 22 5.425 1.334 -2.946 162 HA CYS 22 HA CYS 22 4.818 2.800 -5.277 163 HB2 CYS 22 2HB CYS 22 2.849 1.761 -4.851 164 HB3 CYS 22 1HB CYS 22 3.362 1.387 -3.217 165 HG CYS 22 HG CYS 22 2.139 3.415 -2.336 166 H VAL 23 H VAL 23 4.619 3.711 -1.833 167 HA VAL 23 HA VAL 23 3.719 6.349 -2.297 168 HB VAL 23 HB VAL 23 5.413 5.409 -0.006 169 HG11 VAL 23 1HG1 VAL 23 3.167 7.416 0.089 170 HG12 VAL 23 2HG1 VAL 23 4.793 7.915 -0.367 171 HG13 VAL 23 3HG1 VAL 23 4.503 7.204 1.216 172 HG21 VAL 23 3HG2 VAL 23 2.451 5.089 -0.501 173 HG22 VAL 23 1HG2 VAL 23 3.178 4.959 1.106 174 HG23 VAL 23 2HG2 VAL 23 3.631 3.826 -0.170 175 H ALA 24 H ALA 24 7.014 5.059 -1.713 176 HA ALA 24 HA ALA 24 8.463 7.396 -1.768 177 HB1 ALA 24 1HB ALA 24 9.279 4.829 -3.140 178 HB2 ALA 24 2HB ALA 24 9.362 5.081 -1.398 179 HB3 ALA 24 3HB ALA 24 10.346 6.067 -2.478 180 H GLY 25 H GLY 25 7.545 5.389 -4.562 181 HA2 GLY 25 2HA GLY 25 8.641 7.092 -6.534 182 HA3 GLY 25 1HA GLY 25 7.362 5.912 -6.809 183 H HIS 26 H HIS 26 5.380 6.932 -5.118 184 HA HIS 26 HA HIS 26 4.096 8.786 -6.748 185 HB2 HIS 26 2HB HIS 26 3.719 8.189 -3.809 186 HB3 HIS 26 1HB HIS 26 2.621 9.191 -4.753 187 HD1 HIS 26 1HD HIS 26 2.983 7.336 -7.379 188 HD2 HIS 26 2HD HIS 26 1.791 6.088 -3.585 189 HE1 HIS 26 1HE HIS 26 1.704 5.176 -7.704 190 HE2 HIS 26 2HE HIS 26 0.971 4.401 -5.398 191 H LEU 27 H LEU 27 5.734 9.417 -3.605 192 HA LEU 27 HA LEU 27 5.534 12.291 -4.057 193 HB2 LEU 27 2HB LEU 27 6.932 10.783 -1.841 194 HB3 LEU 27 1HB LEU 27 6.481 12.489 -1.842 195 HG LEU 27 HG LEU 27 4.548 10.159 -2.002 196 HD11 LEU 27 1HD1 LEU 27 3.847 11.136 0.266 197 HD12 LEU 27 2HD1 LEU 27 5.375 12.012 0.237 198 HD13 LEU 27 3HD1 LEU 27 5.371 10.248 0.230 199 HD21 LEU 27 3HD2 LEU 27 2.922 12.148 -1.471 200 HD22 LEU 27 1HD2 LEU 27 3.472 11.919 -3.130 201 HD23 LEU 27 2HD2 LEU 27 4.220 13.156 -2.118 202 H GLY 28 H GLY 28 7.989 9.764 -4.104 203 HA2 GLY 28 2HA GLY 28 9.877 9.858 -5.560 204 HA3 GLY 28 1HA GLY 28 9.840 11.614 -5.464 205 H LEU 29 H LEU 29 9.270 10.637 -2.391 206 HA LEU 29 HA LEU 29 11.881 11.338 -1.478 207 HB2 LEU 29 2HB LEU 29 9.665 10.031 0.106 208 HB3 LEU 29 1HB LEU 29 11.010 10.973 0.740 209 HG LEU 29 HG LEU 29 8.812 12.007 -1.071 210 HD11 LEU 29 1HD1 LEU 29 9.420 12.430 1.867 211 HD12 LEU 29 2HD1 LEU 29 7.991 11.657 1.179 212 HD13 LEU 29 3HD1 LEU 29 8.253 13.387 0.953 213 HD21 LEU 29 3HD2 LEU 29 10.679 13.321 -1.629 214 HD22 LEU 29 1HD2 LEU 29 11.362 13.218 -0.007 215 HD23 LEU 29 2HD2 LEU 29 9.963 14.247 -0.314 216 H ASP 30 H ASP 30 12.657 9.751 0.456 217 HA ASP 30 HA ASP 30 13.613 7.387 -0.953 218 HB2 ASP 30 2HB ASP 30 15.179 8.704 0.381 219 HB3 ASP 30 1HB ASP 30 14.221 8.408 1.826 220 H ALA 31 H ALA 31 12.846 5.382 -0.723 221 HA ALA 31 HA ALA 31 10.475 4.788 0.632 222 HB1 ALA 31 1HB ALA 31 12.645 3.113 -0.561 223 HB2 ALA 31 2HB ALA 31 10.980 3.332 -1.105 224 HB3 ALA 31 3HB ALA 31 11.318 2.360 0.324 225 H ALA 32 H ALA 32 13.843 4.481 1.637 226 HA ALA 32 HA ALA 32 13.433 2.876 3.904 227 HB1 ALA 32 1HB ALA 32 15.535 5.022 3.705 228 HB2 ALA 32 2HB ALA 32 15.628 3.537 2.758 229 HB3 ALA 32 3HB ALA 32 15.628 3.461 4.521 230 H THR 33 H THR 33 12.788 6.228 3.324 231 HA THR 33 HA THR 33 12.008 6.536 6.169 232 HB THR 33 HB THR 33 12.618 9.041 5.690 233 HG1 THR 33 1HG THR 33 14.315 7.668 3.886 234 HG21 THR 33 3HG2 THR 33 15.051 8.476 6.314 235 HG22 THR 33 1HG2 THR 33 14.568 6.783 6.204 236 HG23 THR 33 2HG2 THR 33 13.801 7.842 7.385 237 H ILE 34 H ILE 34 10.273 5.647 4.148 238 HA ILE 34 HA ILE 34 8.785 7.937 3.189 239 HB ILE 34 HB ILE 34 8.578 4.977 2.998 240 HG12 ILE 34 2HG1 ILE 34 9.511 6.570 1.273 241 HG13 ILE 34 1HG1 ILE 34 8.277 5.461 0.673 242 HG21 ILE 34 1HG2 ILE 34 6.137 6.752 2.947 243 HG22 ILE 34 2HG2 ILE 34 6.338 5.186 3.737 244 HG23 ILE 34 3HG2 ILE 34 6.226 5.275 1.999 245 HD11 ILE 34 3HD1 ILE 34 6.935 7.182 0.101 246 HD12 ILE 34 1HD1 ILE 34 8.307 8.233 0.407 247 HD13 ILE 34 2HD1 ILE 34 7.117 7.965 1.670 248 H ALA 35 H ALA 35 7.562 5.255 5.153 249 HA ALA 35 HA ALA 35 6.869 6.527 7.486 250 HB1 ALA 35 1HB ALA 35 5.063 7.225 5.196 251 HB2 ALA 35 2HB ALA 35 5.532 8.203 6.592 252 HB3 ALA 35 3HB ALA 35 4.318 6.941 6.770 253 H THR 36 H THR 36 7.268 3.876 5.959 254 HA THR 36 HA THR 36 5.198 2.189 5.838 255 HB THR 36 HB THR 36 6.676 0.436 6.326 256 HG1 THR 36 1HG THR 36 8.588 1.709 7.732 257 HG21 THR 36 3HG2 THR 36 7.547 2.093 4.592 258 HG22 THR 36 1HG2 THR 36 8.762 1.044 5.326 259 HG23 THR 36 2HG2 THR 36 8.607 2.717 5.858 260 H ASP 37 H ASP 37 6.515 3.509 8.860 261 HA ASP 37 HA ASP 37 4.537 1.987 10.417 262 HB2 ASP 37 2HB ASP 37 5.776 2.967 12.350 263 HB3 ASP 37 1HB ASP 37 6.802 2.008 11.285 264 H LEU 38 H LEU 38 5.062 5.094 9.011 265 HA LEU 38 HA LEU 38 3.124 6.375 10.818 266 HB2 LEU 38 2HB LEU 38 5.166 7.387 8.870 267 HB3 LEU 38 1HB LEU 38 3.817 8.429 9.297 268 HG LEU 38 HG LEU 38 5.392 7.050 11.473 269 HD11 LEU 38 1HD1 LEU 38 6.175 9.621 10.079 270 HD12 LEU 38 2HD1 LEU 38 7.072 8.102 10.036 271 HD13 LEU 38 3HD1 LEU 38 6.915 8.988 11.553 272 HD21 LEU 38 3HD2 LEU 38 4.808 9.261 12.612 273 HD22 LEU 38 1HD2 LEU 38 3.449 8.205 12.239 274 HD23 LEU 38 2HD2 LEU 38 3.786 9.605 11.216 275 HA PRO 39 HA PRO 39 -0.163 6.069 7.903 276 HB2 PRO 39 2HB PRO 39 -1.500 8.439 8.375 277 HB3 PRO 39 1HB PRO 39 -1.565 7.038 9.462 278 HG2 PRO 39 2HG PRO 39 0.082 9.518 9.671 279 HG3 PRO 39 1HG PRO 39 -0.771 8.621 10.941 280 HD2 PRO 39 2HD PRO 39 1.905 8.390 10.557 281 HD3 PRO 39 1HD PRO 39 0.917 7.041 11.149 282 H LEU 40 H LEU 40 -1.302 7.432 6.164 283 HA LEU 40 HA LEU 40 0.708 8.426 4.357 284 HB2 LEU 40 2HB LEU 40 -1.014 8.496 2.711 285 HB3 LEU 40 1HB LEU 40 -1.329 7.061 3.681 286 HG LEU 40 HG LEU 40 -2.689 9.740 4.106 287 HD11 LEU 40 1HD1 LEU 40 -3.205 8.398 1.955 288 HD12 LEU 40 2HD1 LEU 40 -4.544 8.951 2.958 289 HD13 LEU 40 3HD1 LEU 40 -4.013 7.271 3.048 290 HD21 LEU 40 3HD2 LEU 40 -2.704 8.614 6.169 291 HD22 LEU 40 1HD2 LEU 40 -2.889 7.036 5.404 292 HD23 LEU 40 2HD2 LEU 40 -4.244 8.165 5.445 293 H THR 41 H THR 41 -1.467 9.793 6.631 294 HA THR 41 HA THR 41 -1.948 12.311 5.564 295 HB THR 41 HB THR 41 -1.385 11.857 8.492 296 HG1 THR 41 1HG THR 41 -2.956 10.497 8.516 297 HG21 THR 41 3HG2 THR 41 -1.965 14.150 7.469 298 HG22 THR 41 1HG2 THR 41 -2.953 13.604 8.823 299 HG23 THR 41 2HG2 THR 41 -3.569 13.475 7.176 300 H SER 42 H SER 42 0.935 11.011 7.121 301 HA SER 42 HA SER 42 2.328 13.253 7.809 302 HB2 SER 42 2HB SER 42 3.331 11.133 8.241 303 HB3 SER 42 1HB SER 42 3.235 10.667 6.543 304 HG SER 42 HG SER 42 5.221 11.396 6.548 305 H TYR 43 H TYR 43 1.664 12.042 4.576 306 HA TYR 43 HA TYR 43 3.533 13.741 3.217 307 HB2 TYR 43 2HB TYR 43 1.040 12.593 1.982 308 HB3 TYR 43 1HB TYR 43 2.605 12.869 1.241 309 HD1 TYR 43 1HD TYR 43 4.284 11.703 3.597 310 HD2 TYR 43 2HD TYR 43 0.854 10.257 1.432 311 HE1 TYR 43 1HE TYR 43 4.932 9.389 4.122 312 HE2 TYR 43 2HE TYR 43 1.519 7.934 1.967 313 HH TYR 43 HH TYR 43 3.300 7.027 4.266 314 H GLY 44 H GLY 44 0.807 14.468 4.911 315 HA2 GLY 44 2HA GLY 44 -0.506 16.348 5.056 316 HA3 GLY 44 1HA GLY 44 0.778 17.162 4.165 317 H LEU 45 H LEU 45 -0.813 14.399 2.778 318 HA LEU 45 HA LEU 45 -1.620 15.907 0.494 319 HB2 LEU 45 2HB LEU 45 -2.306 13.839 -0.407 320 HB3 LEU 45 1HB LEU 45 -0.891 13.466 0.561 321 HG LEU 45 HG LEU 45 -3.782 13.092 1.457 322 HD11 LEU 45 1HD1 LEU 45 -1.638 11.111 0.668 323 HD12 LEU 45 2HD1 LEU 45 -3.156 11.418 -0.176 324 HD13 LEU 45 3HD1 LEU 45 -3.172 10.687 1.427 325 HD21 LEU 45 3HD2 LEU 45 -2.478 13.596 3.396 326 HD22 LEU 45 1HD2 LEU 45 -1.111 12.662 2.804 327 HD23 LEU 45 2HD2 LEU 45 -2.571 11.846 3.346 328 H ASP 46 H ASP 46 -3.649 16.509 -0.173 329 HA ASP 46 HA ASP 46 -5.598 17.025 1.853 330 HB2 ASP 46 2HB ASP 46 -5.236 18.457 -0.161 331 HB3 ASP 46 1HB ASP 46 -5.941 17.178 -1.146 332 H SER 47 H SER 47 -7.913 16.363 1.616 333 HA SER 47 HA SER 47 -8.170 13.558 1.735 334 HB2 SER 47 2HB SER 47 -10.202 15.778 1.515 335 HB3 SER 47 1HB SER 47 -10.662 14.082 1.654 336 HG SER 47 HG SER 47 -10.492 15.225 3.684 337 H VAL 48 H VAL 48 -8.653 15.864 -0.862 338 HA VAL 48 HA VAL 48 -10.008 14.092 -2.639 339 HB VAL 48 HB VAL 48 -8.372 16.565 -3.251 340 HG11 VAL 48 1HG1 VAL 48 -10.346 14.924 -4.856 341 HG12 VAL 48 2HG1 VAL 48 -8.677 15.312 -5.272 342 HG13 VAL 48 3HG1 VAL 48 -9.906 16.576 -5.287 343 HG21 VAL 48 3HG2 VAL 48 -10.654 17.628 -3.336 344 HG22 VAL 48 1HG2 VAL 48 -10.182 17.093 -1.723 345 HG23 VAL 48 2HG2 VAL 48 -11.319 16.135 -2.673 346 H TYR 49 H TYR 49 -6.702 14.577 -1.769 347 HA TYR 49 HA TYR 49 -5.490 13.515 -4.104 348 HB2 TYR 49 2HB TYR 49 -4.509 14.759 -1.918 349 HB3 TYR 49 1HB TYR 49 -4.163 13.089 -1.462 350 HD1 TYR 49 1HD TYR 49 -3.979 15.227 -4.550 351 HD2 TYR 49 2HD TYR 49 -2.054 12.289 -2.074 352 HE1 TYR 49 1HE TYR 49 -2.027 15.219 -6.072 353 HE2 TYR 49 2HE TYR 49 -0.106 12.284 -3.589 354 HH TYR 49 HH TYR 49 -0.180 13.591 -6.675 355 H ALA 50 H ALA 50 -6.305 12.017 -0.977 356 HA ALA 50 HA ALA 50 -5.360 9.461 -1.424 357 HB1 ALA 50 1HB ALA 50 -6.235 10.037 0.734 358 HB2 ALA 50 2HB ALA 50 -7.233 8.726 0.105 359 HB3 ALA 50 3HB ALA 50 -7.827 10.385 0.060 360 H LEU 51 H LEU 51 -8.357 10.942 -2.543 361 HA LEU 51 HA LEU 51 -9.673 8.671 -3.476 362 HB2 LEU 51 2HB LEU 51 -10.700 10.897 -3.374 363 HB3 LEU 51 1HB LEU 51 -9.638 11.450 -4.668 364 HG LEU 51 HG LEU 51 -11.124 8.971 -5.340 365 HD11 LEU 51 1HD1 LEU 51 -12.898 9.995 -4.071 366 HD12 LEU 51 2HD1 LEU 51 -13.251 10.236 -5.782 367 HD13 LEU 51 3HD1 LEU 51 -12.598 11.562 -4.820 368 HD21 LEU 51 3HD2 LEU 51 -11.117 11.618 -6.804 369 HD22 LEU 51 1HD2 LEU 51 -11.271 9.994 -7.476 370 HD23 LEU 51 2HD2 LEU 51 -9.718 10.547 -6.845 371 H SER 52 H SER 52 -7.597 10.894 -5.368 372 HA SER 52 HA SER 52 -7.566 9.270 -7.691 373 HB2 SER 52 2HB SER 52 -7.023 11.687 -7.679 374 HB3 SER 52 1HB SER 52 -5.541 11.330 -6.782 375 HG SER 52 HG SER 52 -4.930 11.314 -8.879 376 H ILE 53 H ILE 53 -5.272 9.656 -5.013 377 HA ILE 53 HA ILE 53 -3.305 7.908 -6.004 378 HB ILE 53 HB ILE 53 -3.998 8.478 -3.114 379 HG12 ILE 53 2HG1 ILE 53 -3.541 10.468 -4.798 380 HG13 ILE 53 1HG1 ILE 53 -2.732 10.435 -3.233 381 HG21 ILE 53 1HG2 ILE 53 -1.607 7.285 -4.501 382 HG22 ILE 53 2HG2 ILE 53 -2.443 6.727 -3.048 383 HG23 ILE 53 3HG2 ILE 53 -1.404 8.145 -2.976 384 HD11 ILE 53 3HD1 ILE 53 -1.302 10.900 -5.354 385 HD12 ILE 53 1HD1 ILE 53 -1.432 9.167 -5.632 386 HD13 ILE 53 2HD1 ILE 53 -0.685 9.766 -4.154 387 H ALA 54 H ALA 54 -5.669 7.250 -3.413 388 HA ALA 54 HA ALA 54 -5.239 4.560 -3.103 389 HB1 ALA 54 1HB ALA 54 -7.480 4.400 -2.235 390 HB2 ALA 54 2HB ALA 54 -7.979 5.839 -3.124 391 HB3 ALA 54 3HB ALA 54 -6.839 5.981 -1.786 392 H ALA 55 H ALA 55 -7.076 6.188 -5.634 393 HA ALA 55 HA ALA 55 -8.205 3.829 -6.782 394 HB1 ALA 55 1HB ALA 55 -8.857 5.212 -8.596 395 HB2 ALA 55 2HB ALA 55 -7.574 6.376 -8.267 396 HB3 ALA 55 3HB ALA 55 -8.942 6.237 -7.164 397 H GLU 56 H GLU 56 -5.300 5.728 -7.534 398 HA GLU 56 HA GLU 56 -4.479 4.194 -9.766 399 HB2 GLU 56 2HB GLU 56 -2.968 5.947 -7.827 400 HB3 GLU 56 1HB GLU 56 -2.186 5.163 -9.201 401 HG2 GLU 56 2HG GLU 56 -3.772 6.270 -10.732 402 HG3 GLU 56 1HG GLU 56 -4.554 7.049 -9.361 403 H LEU 57 H LEU 57 -3.547 4.000 -6.334 404 HA LEU 57 HA LEU 57 -1.678 1.911 -6.550 405 HB2 LEU 57 2HB LEU 57 -3.479 2.932 -4.371 406 HB3 LEU 57 1HB LEU 57 -2.608 1.431 -4.103 407 HG LEU 57 HG LEU 57 -0.487 2.709 -4.796 408 HD11 LEU 57 1HD1 LEU 57 -1.513 4.577 -5.912 409 HD12 LEU 57 2HD1 LEU 57 -0.663 5.172 -4.485 410 HD13 LEU 57 3HD1 LEU 57 -2.410 4.989 -4.459 411 HD21 LEU 57 3HD2 LEU 57 -2.085 3.356 -2.317 412 HD22 LEU 57 1HD2 LEU 57 -0.440 3.944 -2.540 413 HD23 LEU 57 2HD2 LEU 57 -0.757 2.210 -2.490 414 H GLU 58 H GLU 58 -5.029 1.541 -5.357 415 HA GLU 58 HA GLU 58 -5.086 -1.241 -5.519 416 HB2 GLU 58 2HB GLU 58 -7.526 -1.043 -5.582 417 HB3 GLU 58 1HB GLU 58 -6.805 0.017 -4.391 418 HG2 GLU 58 2HG GLU 58 -8.134 1.613 -5.383 419 HG3 GLU 58 1HG GLU 58 -6.817 1.687 -6.540 420 H ASP 59 H ASP 59 -5.680 1.138 -8.038 421 HA ASP 59 HA ASP 59 -6.791 -0.549 -9.986 422 HB2 ASP 59 2HB ASP 59 -6.835 1.821 -10.336 423 HB3 ASP 59 1HB ASP 59 -5.080 1.930 -10.246 424 H HIS 60 H HIS 60 -3.536 -0.149 -8.852 425 HA HIS 60 HA HIS 60 -2.304 -1.516 -11.094 426 HB2 HIS 60 2HB HIS 60 -1.293 -0.659 -8.383 427 HB3 HIS 60 1HB HIS 60 -0.305 -1.606 -9.482 428 HD1 HIS 60 1HD HIS 60 -2.695 1.225 -10.346 429 HD2 HIS 60 2HD HIS 60 1.373 0.336 -10.520 430 HE1 HIS 60 1HE HIS 60 -1.600 3.132 -11.600 431 HE2 HIS 60 2HE HIS 60 0.882 2.604 -11.716 432 H LEU 61 H LEU 61 -3.426 -2.401 -7.882 433 HA LEU 61 HA LEU 61 -2.395 -5.098 -8.069 434 HB2 LEU 61 2HB LEU 61 -4.262 -3.856 -6.038 435 HB3 LEU 61 1HB LEU 61 -3.535 -5.452 -5.911 436 HG LEU 61 HG LEU 61 -2.217 -3.892 -4.595 437 HD11 LEU 61 1HD1 LEU 61 -0.559 -4.214 -7.086 438 HD12 LEU 61 2HD1 LEU 61 -1.115 -5.646 -6.210 439 HD13 LEU 61 3HD1 LEU 61 -0.101 -4.454 -5.399 440 HD21 LEU 61 3HD2 LEU 61 -1.444 -2.277 -6.981 441 HD22 LEU 61 1HD2 LEU 61 -1.591 -1.808 -5.298 442 HD23 LEU 61 2HD2 LEU 61 -3.025 -1.986 -6.267 443 H ASP 62 H ASP 62 -5.406 -3.458 -8.739 444 HA ASP 62 HA ASP 62 -7.112 -4.273 -10.071 445 HB2 ASP 62 2HB ASP 62 -6.241 -7.097 -9.470 446 HB3 ASP 62 1HB ASP 62 -7.228 -6.499 -10.783 447 H VAL 63 H VAL 63 -7.690 -3.359 -7.749 448 HA VAL 63 HA VAL 63 -9.728 -5.145 -6.700 449 HB VAL 63 HB VAL 63 -8.851 -4.717 -4.313 450 HG11 VAL 63 1HG1 VAL 63 -7.539 -6.701 -4.346 451 HG12 VAL 63 2HG1 VAL 63 -7.077 -6.450 -6.027 452 HG13 VAL 63 3HG1 VAL 63 -8.735 -6.901 -5.624 453 HG21 VAL 63 3HG2 VAL 63 -6.281 -4.552 -4.341 454 HG22 VAL 63 1HG2 VAL 63 -7.177 -3.073 -4.662 455 HG23 VAL 63 2HG2 VAL 63 -6.452 -3.972 -5.993 456 H SER 64 H SER 64 -11.114 -4.040 -5.083 457 HA SER 64 HA SER 64 -11.204 -1.121 -5.600 458 HB2 SER 64 2HB SER 64 -13.162 -2.254 -6.457 459 HB3 SER 64 1HB SER 64 -13.399 -3.093 -4.925 460 HG SER 64 HG SER 64 -13.824 -1.120 -3.955 461 H LEU 65 H LEU 65 -11.073 0.244 -3.930 462 HA LEU 65 HA LEU 65 -10.791 -0.898 -1.222 463 HB2 LEU 65 2HB LEU 65 -10.144 1.925 -2.066 464 HB3 LEU 65 1HB LEU 65 -9.559 1.036 -0.660 465 HG LEU 65 HG LEU 65 -8.914 0.457 -3.551 466 HD11 LEU 65 1HD1 LEU 65 -7.554 1.940 -1.361 467 HD12 LEU 65 2HD1 LEU 65 -7.369 2.085 -3.107 468 HD13 LEU 65 3HD1 LEU 65 -6.522 0.809 -2.237 469 HD21 LEU 65 3HD2 LEU 65 -8.993 -1.664 -2.546 470 HD22 LEU 65 1HD2 LEU 65 -8.374 -1.063 -1.006 471 HD23 LEU 65 2HD2 LEU 65 -7.298 -1.209 -2.398 472 H ASP 66 H ASP 66 -11.838 0.087 0.564 473 HA ASP 66 HA ASP 66 -14.423 1.286 -0.155 474 HB2 ASP 66 2HB ASP 66 -13.444 -0.485 1.969 475 HB3 ASP 66 1HB ASP 66 -14.434 0.828 2.608 476 HA PRO 67 HA PRO 67 -13.481 5.320 1.218 477 HB2 PRO 67 2HB PRO 67 -15.715 5.963 2.736 478 HB3 PRO 67 1HB PRO 67 -15.682 5.949 0.962 479 HG2 PRO 67 2HG PRO 67 -16.663 3.851 2.854 480 HG3 PRO 67 1HG PRO 67 -17.387 4.429 1.339 481 HD2 PRO 67 2HD PRO 67 -16.008 2.112 1.431 482 HD3 PRO 67 1HD PRO 67 -15.925 3.177 0.008 483 H THR 68 H THR 68 -15.302 4.196 4.043 484 HA THR 68 HA THR 68 -13.595 5.397 5.925 485 HB THR 68 HB THR 68 -15.462 3.052 6.340 486 HG1 THR 68 1HG THR 68 -16.713 5.018 7.151 487 HG21 THR 68 3HG2 THR 68 -15.563 4.170 8.661 488 HG22 THR 68 1HG2 THR 68 -14.086 5.003 8.182 489 HG23 THR 68 2HG2 THR 68 -14.115 3.242 8.272 490 H LEU 69 H LEU 69 -13.226 2.568 4.099 491 HA LEU 69 HA LEU 69 -11.621 1.077 5.953 492 HB2 LEU 69 2HB LEU 69 -12.839 0.014 4.101 493 HB3 LEU 69 1HB LEU 69 -11.803 0.847 2.941 494 HG LEU 69 HG LEU 69 -10.648 -0.885 5.135 495 HD11 LEU 69 1HD1 LEU 69 -12.230 -2.278 3.917 496 HD12 LEU 69 2HD1 LEU 69 -10.578 -2.738 3.501 497 HD13 LEU 69 3HD1 LEU 69 -11.532 -1.767 2.379 498 HD21 LEU 69 3HD2 LEU 69 -9.587 0.570 2.779 499 HD22 LEU 69 1HD2 LEU 69 -9.033 -1.101 2.884 500 HD23 LEU 69 2HD2 LEU 69 -8.754 0.000 4.228 501 H ILE 70 H ILE 70 -10.926 3.286 3.257 502 HA ILE 70 HA ILE 70 -8.156 2.958 3.149 503 HB ILE 70 HB ILE 70 -9.915 5.349 2.585 504 HG12 ILE 70 2HG1 ILE 70 -8.355 3.650 0.628 505 HG13 ILE 70 1HG1 ILE 70 -9.943 3.147 1.189 506 HG21 ILE 70 1HG2 ILE 70 -7.791 6.315 3.044 507 HG22 ILE 70 2HG2 ILE 70 -7.842 6.138 1.289 508 HG23 ILE 70 3HG2 ILE 70 -6.934 4.983 2.267 509 HD11 ILE 70 3HD1 ILE 70 -9.879 4.527 -0.972 510 HD12 ILE 70 1HD1 ILE 70 -9.450 5.901 0.050 511 HD13 ILE 70 2HD1 ILE 70 -10.996 5.079 0.277 512 H TRP 71 H TRP 71 -10.137 4.998 5.239 513 HA TRP 71 HA TRP 71 -7.837 6.187 6.532 514 HB2 TRP 71 2HB TRP 71 -10.807 6.275 7.080 515 HB3 TRP 71 1HB TRP 71 -9.622 7.070 8.117 516 HD1 TRP 71 HD TRP 71 -11.511 7.493 4.935 517 HE1 TRP 71 1HE TRP 71 -10.763 9.651 3.739 518 HE3 TRP 71 3HE TRP 71 -7.355 8.631 7.682 519 HZ2 TRP 71 2HZ TRP 71 -8.674 11.600 3.920 520 HZ3 TRP 71 3HZ TRP 71 -6.009 10.640 7.150 521 HH2 TRP 71 HH TRP 71 -6.663 12.127 5.277 522 H ASP 72 H ASP 72 -9.244 3.188 6.675 523 HA ASP 72 HA ASP 72 -8.918 2.773 9.552 524 HB2 ASP 72 2HB ASP 72 -10.780 1.717 8.215 525 HB3 ASP 72 1HB ASP 72 -9.557 0.703 7.441 526 H HIS 73 H HIS 73 -7.334 1.961 6.515 527 HA HIS 73 HA HIS 73 -5.056 0.822 8.047 528 HB2 HIS 73 2HB HIS 73 -5.798 0.134 5.199 529 HB3 HIS 73 1HB HIS 73 -4.629 -0.681 6.242 530 HD1 HIS 73 1HD HIS 73 -6.641 -0.534 8.785 531 HD2 HIS 73 2HD HIS 73 -7.449 -2.177 5.041 532 HE1 HIS 73 1HE HIS 73 -8.528 -2.192 9.120 533 HE2 HIS 73 2HE HIS 73 -9.026 -3.207 6.847 534 HA PRO 74 HA PRO 74 -3.825 4.588 5.459 535 HB2 PRO 74 2HB PRO 74 -3.071 6.216 7.538 536 HB3 PRO 74 1HB PRO 74 -4.725 6.159 6.898 537 HG2 PRO 74 2HG PRO 74 -3.584 4.825 9.312 538 HG3 PRO 74 1HG PRO 74 -5.137 5.660 9.115 539 HD2 PRO 74 2HD PRO 74 -4.940 2.937 9.041 540 HD3 PRO 74 1HD PRO 74 -6.141 3.846 8.098 541 H THR 75 H THR 75 -2.511 2.317 7.479 542 HA THR 75 HA THR 75 0.270 3.272 7.048 543 HB THR 75 HB THR 75 0.804 1.643 8.932 544 HG1 THR 75 1HG THR 75 -1.272 0.592 8.763 545 HG21 THR 75 3HG2 THR 75 0.879 3.960 9.441 546 HG22 THR 75 1HG2 THR 75 -0.160 3.260 10.681 547 HG23 THR 75 2HG2 THR 75 -0.872 4.126 9.319 548 H ILE 76 H ILE 76 1.820 1.779 6.402 549 HA ILE 76 HA ILE 76 1.003 -0.066 4.429 550 HB ILE 76 HB ILE 76 3.649 0.252 5.861 551 HG12 ILE 76 2HG1 ILE 76 2.572 1.163 3.171 552 HG13 ILE 76 1HG1 ILE 76 3.043 2.189 4.523 553 HG21 ILE 76 1HG2 ILE 76 4.599 -1.113 3.997 554 HG22 ILE 76 2HG2 ILE 76 2.970 -1.397 3.394 555 HG23 ILE 76 3HG2 ILE 76 3.464 -2.050 4.952 556 HD11 ILE 76 3HD1 ILE 76 5.352 0.736 4.103 557 HD12 ILE 76 1HD1 ILE 76 5.038 2.336 3.425 558 HD13 ILE 76 2HD1 ILE 76 4.713 0.889 2.478 559 H ASP 77 H ASP 77 2.060 -0.505 7.782 560 HA ASP 77 HA ASP 77 2.243 -3.270 7.871 561 HB2 ASP 77 2HB ASP 77 1.339 -1.250 9.918 562 HB3 ASP 77 1HB ASP 77 1.519 -2.954 10.307 563 H ALA 78 H ALA 78 -0.633 -1.232 8.369 564 HA ALA 78 HA ALA 78 -2.412 -3.433 8.749 565 HB1 ALA 78 1HB ALA 78 -4.189 -1.694 8.368 566 HB2 ALA 78 2HB ALA 78 -2.902 -0.533 8.035 567 HB3 ALA 78 3HB ALA 78 -3.028 -1.275 9.629 568 H LEU 79 H LEU 79 -1.697 -1.301 5.992 569 HA LEU 79 HA LEU 79 -3.547 -2.452 4.240 570 HB2 LEU 79 2HB LEU 79 -1.901 -0.314 4.076 571 HB3 LEU 79 1HB LEU 79 -0.979 -1.443 3.098 572 HG LEU 79 HG LEU 79 -2.434 -0.268 1.600 573 HD11 LEU 79 1HD1 LEU 79 -3.980 -2.821 2.021 574 HD12 LEU 79 2HD1 LEU 79 -2.308 -2.879 1.499 575 HD13 LEU 79 3HD1 LEU 79 -3.497 -2.046 0.513 576 HD21 LEU 79 3HD2 LEU 79 -4.933 -1.139 3.044 577 HD22 LEU 79 1HD2 LEU 79 -4.672 0.261 2.011 578 HD23 LEU 79 2HD2 LEU 79 -4.059 0.261 3.660 579 H SER 80 H SER 80 -0.133 -3.187 4.788 580 HA SER 80 HA SER 80 0.169 -5.133 2.793 581 HB2 SER 80 2HB SER 80 1.544 -4.886 5.478 582 HB3 SER 80 1HB SER 80 2.077 -5.937 4.169 583 HG SER 80 HG SER 80 3.189 -4.049 3.939 584 H THR 81 H THR 81 -0.698 -5.451 6.225 585 HA THR 81 HA THR 81 -0.970 -8.239 6.307 586 HB THR 81 HB THR 81 -2.548 -6.154 7.835 587 HG1 THR 81 1HG THR 81 -0.592 -5.840 8.561 588 HG21 THR 81 3HG2 THR 81 -3.644 -8.304 8.005 589 HG22 THR 81 1HG2 THR 81 -2.754 -8.029 9.505 590 HG23 THR 81 2HG2 THR 81 -2.102 -9.116 8.280 591 H ALA 82 H ALA 82 -3.296 -5.727 5.395 592 HA ALA 82 HA ALA 82 -5.482 -7.512 5.001 593 HB1 ALA 82 1HB ALA 82 -4.918 -4.711 4.025 594 HB2 ALA 82 2HB ALA 82 -5.985 -5.201 5.340 595 HB3 ALA 82 3HB ALA 82 -6.418 -5.567 3.670 596 H LEU 83 H LEU 83 -3.001 -6.129 2.826 597 HA LEU 83 HA LEU 83 -4.110 -7.059 0.427 598 HB2 LEU 83 2HB LEU 83 -2.026 -5.450 1.032 599 HB3 LEU 83 1HB LEU 83 -1.121 -6.925 0.688 600 HG LEU 83 HG LEU 83 -3.127 -5.592 -1.152 601 HD11 LEU 83 1HD1 LEU 83 -0.127 -5.662 -0.990 602 HD12 LEU 83 2HD1 LEU 83 -1.195 -4.297 -1.300 603 HD13 LEU 83 3HD1 LEU 83 -0.912 -5.497 -2.559 604 HD21 LEU 83 3HD2 LEU 83 -1.562 -8.171 -1.308 605 HD22 LEU 83 1HD2 LEU 83 -2.119 -7.347 -2.764 606 HD23 LEU 83 2HD2 LEU 83 -3.290 -7.922 -1.574 607 H VAL 84 H VAL 84 -1.594 -8.496 2.512 608 HA VAL 84 HA VAL 84 -1.227 -10.823 0.964 609 HB VAL 84 HB VAL 84 0.342 -10.063 2.726 610 HG11 VAL 84 1HG1 VAL 84 -1.769 -11.103 4.634 611 HG12 VAL 84 2HG1 VAL 84 -1.394 -9.408 4.349 612 HG13 VAL 84 3HG1 VAL 84 -0.185 -10.458 5.066 613 HG21 VAL 84 3HG2 VAL 84 0.484 -12.369 1.964 614 HG22 VAL 84 1HG2 VAL 84 -0.811 -12.848 3.063 615 HG23 VAL 84 2HG2 VAL 84 0.737 -12.326 3.708 616 H ALA 85 H ALA 85 -3.571 -9.923 3.415 617 HA ALA 85 HA ALA 85 -4.603 -12.476 4.005 618 HB1 ALA 85 1HB ALA 85 -6.456 -11.355 4.952 619 HB2 ALA 85 2HB ALA 85 -6.298 -9.986 3.851 620 HB3 ALA 85 3HB ALA 85 -5.118 -10.224 5.139 621 H GLU 86 H GLU 86 -5.242 -10.218 1.377 622 HA GLU 86 HA GLU 86 -7.521 -11.385 0.255 623 HB2 GLU 86 2HB GLU 86 -5.177 -10.124 -1.191 624 HB3 GLU 86 1HB GLU 86 -6.771 -10.412 -1.885 625 HG2 GLU 86 2HG GLU 86 -6.312 -8.754 0.594 626 HG3 GLU 86 1HG GLU 86 -6.408 -8.065 -1.020 627 H LEU 87 H LEU 87 -4.346 -12.630 0.505 628 HA LEU 87 HA LEU 87 -4.745 -14.558 -1.675 629 HB2 LEU 87 2HB LEU 87 -2.545 -13.435 -1.507 630 HB3 LEU 87 1HB LEU 87 -2.328 -14.114 0.106 631 HG LEU 87 HG LEU 87 -2.433 -16.392 -0.835 632 HD11 LEU 87 1HD1 LEU 87 -3.070 -14.848 -3.335 633 HD12 LEU 87 2HD1 LEU 87 -3.782 -16.348 -2.734 634 HD13 LEU 87 3HD1 LEU 87 -2.190 -16.372 -3.484 635 HD21 LEU 87 3HD2 LEU 87 -0.484 -14.784 -2.482 636 HD22 LEU 87 1HD2 LEU 87 -0.268 -16.393 -1.793 637 HD23 LEU 87 2HD2 LEU 87 -0.289 -14.979 -0.739 638 H ARG 88 H ARG 88 -5.078 -14.288 1.712 639 HA ARG 88 HA ARG 88 -4.713 -17.117 2.266 640 HB2 ARG 88 2HB ARG 88 -5.743 -14.844 3.979 641 HB3 ARG 88 1HB ARG 88 -5.417 -16.476 4.555 642 HG2 ARG 88 2HG ARG 88 -3.249 -14.963 3.110 643 HG3 ARG 88 1HG ARG 88 -3.565 -14.621 4.810 644 HD2 ARG 88 2HD ARG 88 -3.282 -17.039 5.325 645 HD3 ARG 88 1HD ARG 88 -2.892 -17.339 3.636 646 HE ARG 88 HE ARG 88 -0.787 -16.431 4.009 647 HH11 ARG 88 1HH2 ARG 88 -2.962 -15.695 6.597 648 HH12 ARG 88 2HH2 ARG 88 -1.732 -15.043 7.629 649 HH21 ARG 88 1HH1 ARG 88 0.829 -15.583 5.353 650 HH22 ARG 88 2HH1 ARG 88 0.416 -14.980 6.924 651 H SER 89 H SER 89 -6.879 -17.264 4.171 652 HA SER 89 HA SER 89 -9.346 -17.031 2.674 653 HB2 SER 89 2HB SER 89 -8.351 -19.784 3.424 654 HB3 SER 89 1HB SER 89 -9.844 -19.386 2.577 655 HG SER 89 HG SER 89 -8.048 -18.230 1.168 656 H ALA 90 H ALA 90 -7.543 -17.809 5.531 657 HA ALA 90 HA ALA 90 -8.150 -18.069 7.742 658 HB1 ALA 90 1HB ALA 90 -9.498 -16.312 8.587 659 HB2 ALA 90 2HB ALA 90 -10.381 -16.153 7.070 660 HB3 ALA 90 3HB ALA 90 -8.697 -15.638 7.169 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 1.890 -1.912 -22.787 2 H2 GLY 1 2HT GLY 1 0.420 -1.872 -23.637 3 H3 GLY 1 3HT GLY 1 0.743 -3.139 -22.554 4 HA2 GLY 1 2HA GLY 1 1.031 -0.839 -21.067 5 HA3 GLY 1 1HA GLY 1 -0.418 -0.604 -22.045 6 H HIS 2 H HIS 2 -1.147 -0.725 -19.607 7 HA HIS 2 HA HIS 2 -2.199 -1.886 -17.908 8 HB2 HIS 2 2HB HIS 2 -3.802 -2.098 -19.796 9 HB3 HIS 2 1HB HIS 2 -3.037 -3.624 -20.240 10 HD1 HIS 2 1HD HIS 2 -3.306 -5.630 -18.563 11 HD2 HIS 2 2HD HIS 2 -5.494 -2.233 -17.537 12 HE1 HIS 2 1HE HIS 2 -4.959 -6.353 -16.786 13 HE2 HIS 2 2HE HIS 2 -6.301 -4.292 -16.150 14 H MET 3 H MET 3 -0.499 -2.713 -16.705 15 HA MET 3 HA MET 3 -0.021 -5.604 -17.029 16 HB2 MET 3 2HB MET 3 2.429 -5.133 -16.474 17 HB3 MET 3 1HB MET 3 1.903 -4.726 -18.106 18 HG2 MET 3 2HG MET 3 1.811 -2.653 -15.914 19 HG3 MET 3 1HG MET 3 3.303 -2.964 -16.799 20 HE1 MET 3 3HE MET 3 2.527 -0.381 -16.703 21 HE2 MET 3 1HE MET 3 0.761 -0.304 -16.764 22 HE3 MET 3 2HE MET 3 1.721 0.383 -18.072 23 H SER 4 H SER 4 2.180 -4.273 -14.927 24 HA SER 4 HA SER 4 2.371 -4.225 -12.642 25 HB2 SER 4 2HB SER 4 0.677 -3.156 -11.429 26 HB3 SER 4 1HB SER 4 0.430 -2.543 -13.060 27 HG SER 4 HG SER 4 -1.503 -3.331 -12.847 28 H ASP 5 H ASP 5 2.635 -6.647 -13.294 29 HA ASP 5 HA ASP 5 0.544 -8.322 -12.045 30 HB2 ASP 5 2HB ASP 5 1.794 -10.205 -13.074 31 HB3 ASP 5 1HB ASP 5 1.223 -9.032 -14.259 32 H LEU 6 H LEU 6 3.351 -6.769 -11.197 33 HA LEU 6 HA LEU 6 4.843 -6.974 -9.487 34 HB2 LEU 6 2HB LEU 6 2.530 -7.205 -8.329 35 HB3 LEU 6 1HB LEU 6 2.941 -8.910 -8.184 36 HG LEU 6 HG LEU 6 5.249 -7.912 -7.251 37 HD11 LEU 6 1HD1 LEU 6 4.596 -5.561 -7.636 38 HD12 LEU 6 2HD1 LEU 6 4.827 -5.877 -5.917 39 HD13 LEU 6 3HD1 LEU 6 3.197 -5.778 -6.587 40 HD21 LEU 6 3HD2 LEU 6 2.647 -8.111 -5.725 41 HD22 LEU 6 1HD2 LEU 6 4.239 -8.044 -4.964 42 HD23 LEU 6 2HD2 LEU 6 3.812 -9.403 -6.005 43 H SER 7 H SER 7 3.463 -10.257 -9.239 44 HA SER 7 HA SER 7 5.649 -11.503 -10.587 45 HB2 SER 7 2HB SER 7 6.525 -12.673 -8.568 46 HB3 SER 7 1HB SER 7 6.841 -10.939 -8.557 47 HG SER 7 HG SER 7 4.915 -12.422 -7.118 48 H THR 8 H THR 8 5.447 -13.873 -10.488 49 HA THR 8 HA THR 8 2.663 -14.652 -10.573 50 HB THR 8 HB THR 8 4.990 -16.531 -10.729 51 HG1 THR 8 1HG THR 8 5.025 -14.426 -12.069 52 HG21 THR 8 3HG2 THR 8 3.558 -17.729 -12.281 53 HG22 THR 8 1HG2 THR 8 2.390 -16.408 -12.273 54 HG23 THR 8 2HG2 THR 8 2.632 -17.379 -10.822 55 H ALA 9 H ALA 9 3.409 -13.814 -8.002 56 HA ALA 9 HA ALA 9 2.307 -15.576 -6.272 57 HB1 ALA 9 1HB ALA 9 3.734 -17.377 -6.522 58 HB2 ALA 9 2HB ALA 9 4.569 -16.527 -5.229 59 HB3 ALA 9 3HB ALA 9 5.118 -16.351 -6.899 60 HA PRO 10 HA PRO 10 4.003 -11.422 -4.833 61 HB2 PRO 10 2HB PRO 10 1.182 -11.387 -3.822 62 HB3 PRO 10 1HB PRO 10 2.121 -10.085 -4.579 63 HG2 PRO 10 2HG PRO 10 0.220 -11.391 -5.928 64 HG3 PRO 10 1HG PRO 10 1.713 -10.854 -6.719 65 HD2 PRO 10 2HD PRO 10 0.912 -13.620 -5.898 66 HD3 PRO 10 1HD PRO 10 1.921 -13.103 -7.277 67 H THR 11 H THR 11 5.296 -11.891 -3.127 68 HA THR 11 HA THR 11 4.238 -13.449 -0.860 69 HB THR 11 HB THR 11 7.068 -12.545 -1.455 70 HG1 THR 11 1HG THR 11 5.522 -14.706 -2.217 71 HG21 THR 11 3HG2 THR 11 6.918 -12.934 0.875 72 HG22 THR 11 1HG2 THR 11 7.510 -14.460 0.217 73 HG23 THR 11 2HG2 THR 11 5.812 -14.292 0.663 74 H LEU 12 H LEU 12 4.815 -12.716 1.330 75 HA LEU 12 HA LEU 12 3.746 -10.254 1.964 76 HB2 LEU 12 2HB LEU 12 5.690 -12.051 3.412 77 HB3 LEU 12 1HB LEU 12 5.176 -10.525 4.129 78 HG LEU 12 HG LEU 12 2.796 -11.245 3.833 79 HD11 LEU 12 1HD1 LEU 12 4.191 -13.751 2.864 80 HD12 LEU 12 2HD1 LEU 12 2.914 -12.837 2.067 81 HD13 LEU 12 3HD1 LEU 12 2.549 -13.794 3.500 82 HD21 LEU 12 3HD2 LEU 12 4.596 -13.096 5.434 83 HD22 LEU 12 1HD2 LEU 12 2.856 -12.932 5.671 84 HD23 LEU 12 2HD2 LEU 12 3.923 -11.564 5.990 85 H ASP 13 H ASP 13 7.150 -11.080 1.413 86 HA ASP 13 HA ASP 13 8.136 -8.474 2.017 87 HB2 ASP 13 2HB ASP 13 9.516 -10.382 0.151 88 HB3 ASP 13 1HB ASP 13 10.223 -9.226 1.274 89 H SER 14 H SER 14 7.028 -10.075 -0.951 90 HA SER 14 HA SER 14 7.919 -8.073 -2.743 91 HB2 SER 14 2HB SER 14 6.585 -9.136 -4.355 92 HB3 SER 14 1HB SER 14 7.194 -10.421 -3.317 93 HG SER 14 HG SER 14 5.010 -10.743 -3.539 94 H LEU 15 H LEU 15 4.875 -8.567 -0.974 95 HA LEU 15 HA LEU 15 3.582 -6.344 -2.185 96 HB2 LEU 15 2HB LEU 15 2.986 -7.679 0.459 97 HB3 LEU 15 1HB LEU 15 1.897 -6.646 -0.443 98 HG LEU 15 HG LEU 15 3.053 -9.228 -1.497 99 HD11 LEU 15 1HD1 LEU 15 1.586 -9.866 0.234 100 HD12 LEU 15 2HD1 LEU 15 0.596 -9.953 -1.224 101 HD13 LEU 15 3HD1 LEU 15 0.449 -8.571 -0.136 102 HD21 LEU 15 3HD2 LEU 15 1.202 -7.135 -2.596 103 HD22 LEU 15 1HD2 LEU 15 0.970 -8.817 -3.074 104 HD23 LEU 15 2HD2 LEU 15 2.501 -8.013 -3.398 105 H ARG 16 H ARG 16 4.550 -6.769 1.189 106 HA ARG 16 HA ARG 16 4.384 -4.290 2.211 107 HB2 ARG 16 2HB ARG 16 5.313 -6.098 3.517 108 HB3 ARG 16 1HB ARG 16 6.756 -6.137 2.511 109 HG2 ARG 16 2HG ARG 16 6.143 -3.478 3.720 110 HG3 ARG 16 1HG ARG 16 6.570 -4.734 4.876 111 HD2 ARG 16 2HD ARG 16 8.623 -5.210 3.482 112 HD3 ARG 16 1HD ARG 16 8.229 -3.802 2.513 113 HE ARG 16 HE ARG 16 8.925 -2.442 4.261 114 HH11 ARG 16 1HH2 ARG 16 8.534 -5.725 5.276 115 HH12 ARG 16 2HH2 ARG 16 9.279 -5.481 6.821 116 HH21 ARG 16 1HH1 ARG 16 9.901 -2.110 6.277 117 HH22 ARG 16 2HH1 ARG 16 10.055 -3.431 7.388 118 H VAL 17 H VAL 17 7.258 -5.361 0.351 119 HA VAL 17 HA VAL 17 8.564 -2.865 0.313 120 HB VAL 17 HB VAL 17 9.871 -3.804 -1.540 121 HG11 VAL 17 1HG1 VAL 17 10.720 -4.706 0.436 122 HG12 VAL 17 2HG1 VAL 17 10.243 -6.200 -0.381 123 HG13 VAL 17 3HG1 VAL 17 9.204 -5.497 0.858 124 HG21 VAL 17 3HG2 VAL 17 8.280 -4.813 -2.945 125 HG22 VAL 17 1HG2 VAL 17 7.560 -5.677 -1.606 126 HG23 VAL 17 2HG2 VAL 17 9.106 -6.201 -2.236 127 H TRP 18 H TRP 18 6.087 -4.289 -1.804 128 HA TRP 18 HA TRP 18 6.204 -2.380 -3.879 129 HB2 TRP 18 2HB TRP 18 4.524 -3.664 -4.721 130 HB3 TRP 18 1HB TRP 18 4.612 -4.609 -3.247 131 HD1 TRP 18 HD TRP 18 2.547 -4.456 -1.611 132 HE1 TRP 18 1HE TRP 18 0.411 -3.106 -1.544 133 HE3 TRP 18 3HE TRP 18 3.413 -1.232 -5.486 134 HZ2 TRP 18 2HZ TRP 18 -0.798 -0.980 -2.908 135 HZ3 TRP 18 3HZ TRP 18 1.715 0.446 -6.064 136 HH2 TRP 18 HH TRP 18 -0.382 0.554 -4.766 137 H LEU 19 H LEU 19 4.128 -2.467 -0.981 138 HA LEU 19 HA LEU 19 2.713 -0.102 -1.418 139 HB2 LEU 19 2HB LEU 19 3.307 -1.883 0.841 140 HB3 LEU 19 1HB LEU 19 3.069 -0.223 1.359 141 HG LEU 19 HG LEU 19 1.055 -1.235 -0.604 142 HD11 LEU 19 1HD1 LEU 19 1.022 -2.190 2.256 143 HD12 LEU 19 2HD1 LEU 19 1.402 -3.205 0.860 144 HD13 LEU 19 3HD1 LEU 19 -0.190 -2.480 1.017 145 HD21 LEU 19 3HD2 LEU 19 1.171 1.032 0.685 146 HD22 LEU 19 1HD2 LEU 19 0.551 0.097 2.046 147 HD23 LEU 19 2HD2 LEU 19 -0.373 0.206 0.551 148 H VAL 20 H VAL 20 5.589 -0.465 0.701 149 HA VAL 20 HA VAL 20 5.908 2.283 1.137 150 HB VAL 20 HB VAL 20 7.051 0.630 2.498 151 HG11 VAL 20 1HG1 VAL 20 7.384 -0.920 0.467 152 HG12 VAL 20 2HG1 VAL 20 8.669 -0.879 1.664 153 HG13 VAL 20 3HG1 VAL 20 8.847 0.008 0.152 154 HG21 VAL 20 3HG2 VAL 20 9.183 1.691 2.637 155 HG22 VAL 20 1HG2 VAL 20 8.079 2.926 2.037 156 HG23 VAL 20 2HG2 VAL 20 9.166 2.100 0.921 157 H ASP 21 H ASP 21 7.472 0.167 -1.272 158 HA ASP 21 HA ASP 21 9.038 2.138 -2.484 159 HB2 ASP 21 2HB ASP 21 9.265 -0.291 -2.910 160 HB3 ASP 21 1HB ASP 21 7.738 -0.264 -3.793 161 H CYS 22 H CYS 22 5.664 1.276 -2.956 162 HA CYS 22 HA CYS 22 5.186 2.731 -5.321 163 HB2 CYS 22 2HB CYS 22 3.614 1.073 -4.304 164 HB3 CYS 22 1HB CYS 22 3.231 2.261 -3.063 165 HG CYS 22 HG CYS 22 2.605 3.829 -5.290 166 H VAL 23 H VAL 23 4.745 3.661 -1.899 167 HA VAL 23 HA VAL 23 3.856 6.292 -2.429 168 HB VAL 23 HB VAL 23 5.427 5.302 -0.061 169 HG11 VAL 23 1HG1 VAL 23 4.904 7.897 -0.520 170 HG12 VAL 23 2HG1 VAL 23 4.790 7.212 1.089 171 HG13 VAL 23 3HG1 VAL 23 3.334 7.443 0.133 172 HG21 VAL 23 3HG2 VAL 23 2.483 5.192 -0.698 173 HG22 VAL 23 1HG2 VAL 23 3.094 5.079 0.957 174 HG23 VAL 23 2HG2 VAL 23 3.550 3.868 -0.243 175 H ALA 24 H ALA 24 7.141 5.032 -1.713 176 HA ALA 24 HA ALA 24 8.571 7.388 -1.712 177 HB1 ALA 24 1HB ALA 24 10.501 6.098 -2.258 178 HB2 ALA 24 2HB ALA 24 9.531 4.872 -3.075 179 HB3 ALA 24 3HB ALA 24 9.448 5.038 -1.323 180 H GLY 25 H GLY 25 7.800 5.360 -4.527 181 HA2 GLY 25 2HA GLY 25 8.964 7.056 -6.457 182 HA3 GLY 25 1HA GLY 25 7.706 5.866 -6.781 183 H HIS 26 H HIS 26 5.624 6.876 -5.210 184 HA HIS 26 HA HIS 26 4.428 8.727 -6.902 185 HB2 HIS 26 2HB HIS 26 3.914 8.046 -4.004 186 HB3 HIS 26 1HB HIS 26 2.889 9.159 -4.911 187 HD1 HIS 26 1HD HIS 26 3.632 7.161 -7.547 188 HD2 HIS 26 2HD HIS 26 1.506 6.326 -4.061 189 HE1 HIS 26 1HE HIS 26 2.158 5.170 -8.066 190 HE2 HIS 26 2HE HIS 26 0.857 4.650 -5.953 191 H LEU 27 H LEU 27 5.850 9.384 -3.663 192 HA LEU 27 HA LEU 27 5.672 12.246 -4.118 193 HB2 LEU 27 2HB LEU 27 7.032 10.730 -1.881 194 HB3 LEU 27 1HB LEU 27 6.593 12.439 -1.882 195 HG LEU 27 HG LEU 27 4.637 10.131 -2.111 196 HD11 LEU 27 1HD1 LEU 27 5.817 10.537 0.146 197 HD12 LEU 27 2HD1 LEU 27 4.054 10.523 0.154 198 HD13 LEU 27 3HD1 LEU 27 4.921 12.057 0.200 199 HD21 LEU 27 3HD2 LEU 27 3.586 11.922 -3.205 200 HD22 LEU 27 1HD2 LEU 27 4.355 13.133 -2.178 201 HD23 LEU 27 2HD2 LEU 27 3.039 12.143 -1.547 202 H GLY 28 H GLY 28 8.156 9.756 -4.126 203 HA2 GLY 28 2HA GLY 28 10.078 9.859 -5.526 204 HA3 GLY 28 1HA GLY 28 10.015 11.617 -5.454 205 H LEU 29 H LEU 29 9.385 10.717 -2.378 206 HA LEU 29 HA LEU 29 11.957 11.454 -1.416 207 HB2 LEU 29 2HB LEU 29 9.739 10.122 0.141 208 HB3 LEU 29 1HB LEU 29 11.039 11.119 0.783 209 HG LEU 29 HG LEU 29 8.873 12.057 -1.118 210 HD11 LEU 29 1HD1 LEU 29 7.958 13.249 0.770 211 HD12 LEU 29 2HD1 LEU 29 9.319 12.782 1.790 212 HD13 LEU 29 3HD1 LEU 29 8.160 11.565 1.254 213 HD21 LEU 29 3HD2 LEU 29 11.300 13.382 0.100 214 HD22 LEU 29 1HD2 LEU 29 9.886 14.338 -0.339 215 HD23 LEU 29 2HD2 LEU 29 10.743 13.421 -1.572 216 H ASP 30 H ASP 30 12.710 9.901 0.566 217 HA ASP 30 HA ASP 30 13.736 7.537 -0.796 218 HB2 ASP 30 2HB ASP 30 15.236 8.923 0.572 219 HB3 ASP 30 1HB ASP 30 14.266 8.566 1.992 220 H ALA 31 H ALA 31 13.009 5.523 -0.552 221 HA ALA 31 HA ALA 31 10.614 4.911 0.761 222 HB1 ALA 31 1HB ALA 31 12.821 3.210 -0.334 223 HB2 ALA 31 2HB ALA 31 11.208 3.490 -0.996 224 HB3 ALA 31 3HB ALA 31 11.407 2.504 0.453 225 H ALA 32 H ALA 32 13.966 4.707 1.844 226 HA ALA 32 HA ALA 32 13.513 3.090 4.116 227 HB1 ALA 32 1HB ALA 32 15.698 4.045 4.876 228 HB2 ALA 32 2HB ALA 32 15.655 5.123 3.480 229 HB3 ALA 32 3HB ALA 32 15.739 3.377 3.245 230 H THR 33 H THR 33 12.625 6.305 3.451 231 HA THR 33 HA THR 33 11.945 6.697 6.299 232 HB THR 33 HB THR 33 12.521 9.214 5.775 233 HG1 THR 33 1HG THR 33 14.603 8.236 4.294 234 HG21 THR 33 3HG2 THR 33 13.661 7.973 7.512 235 HG22 THR 33 1HG2 THR 33 14.897 8.756 6.526 236 HG23 THR 33 2HG2 THR 33 14.561 7.037 6.319 237 H ILE 34 H ILE 34 10.296 5.782 4.157 238 HA ILE 34 HA ILE 34 8.776 8.034 3.197 239 HB ILE 34 HB ILE 34 8.614 5.071 3.013 240 HG12 ILE 34 2HG1 ILE 34 9.575 6.686 1.319 241 HG13 ILE 34 1HG1 ILE 34 8.390 5.542 0.683 242 HG21 ILE 34 1HG2 ILE 34 6.289 5.324 1.953 243 HG22 ILE 34 2HG2 ILE 34 6.146 6.805 2.890 244 HG23 ILE 34 3HG2 ILE 34 6.355 5.256 3.698 245 HD11 ILE 34 3HD1 ILE 34 8.367 8.320 0.413 246 HD12 ILE 34 1HD1 ILE 34 7.125 8.016 1.616 247 HD13 ILE 34 2HD1 ILE 34 7.041 7.231 0.043 248 H ALA 35 H ALA 35 7.564 5.355 5.169 249 HA ALA 35 HA ALA 35 6.791 6.670 7.447 250 HB1 ALA 35 1HB ALA 35 4.969 7.193 5.111 251 HB2 ALA 35 2HB ALA 35 5.424 8.272 6.438 252 HB3 ALA 35 3HB ALA 35 4.252 6.993 6.710 253 H THR 36 H THR 36 7.293 3.987 5.967 254 HA THR 36 HA THR 36 5.289 2.228 5.859 255 HB THR 36 HB THR 36 6.801 0.513 6.649 256 HG1 THR 36 1HG THR 36 8.132 2.720 7.829 257 HG21 THR 36 3HG2 THR 36 8.542 2.687 5.473 258 HG22 THR 36 1HG2 THR 36 7.338 1.825 4.516 259 HG23 THR 36 2HG2 THR 36 8.681 0.944 5.245 260 H ASP 37 H ASP 37 6.556 3.603 8.890 261 HA ASP 37 HA ASP 37 4.583 2.088 10.445 262 HB2 ASP 37 2HB ASP 37 6.909 3.870 11.183 263 HB3 ASP 37 1HB ASP 37 5.778 3.218 12.369 264 H LEU 38 H LEU 38 5.072 5.180 9.021 265 HA LEU 38 HA LEU 38 3.090 6.449 10.777 266 HB2 LEU 38 2HB LEU 38 5.119 7.468 8.822 267 HB3 LEU 38 1HB LEU 38 3.774 8.498 9.263 268 HG LEU 38 HG LEU 38 5.402 7.135 11.410 269 HD11 LEU 38 1HD1 LEU 38 7.056 8.229 9.993 270 HD12 LEU 38 2HD1 LEU 38 6.852 9.157 11.480 271 HD13 LEU 38 3HD1 LEU 38 6.103 9.714 9.980 272 HD21 LEU 38 3HD2 LEU 38 3.744 9.661 11.197 273 HD22 LEU 38 1HD2 LEU 38 4.781 9.316 12.579 274 HD23 LEU 38 2HD2 LEU 38 3.434 8.247 12.205 275 HA PRO 39 HA PRO 39 -0.148 6.107 7.797 276 HB2 PRO 39 2HB PRO 39 -1.513 8.462 8.242 277 HB3 PRO 39 1HB PRO 39 -1.586 7.064 9.333 278 HG2 PRO 39 2HG PRO 39 0.045 9.554 9.561 279 HG3 PRO 39 1HG PRO 39 -0.834 8.666 10.817 280 HD2 PRO 39 2HD PRO 39 1.852 8.440 10.502 281 HD3 PRO 39 1HD PRO 39 0.855 7.088 11.068 282 H LEU 40 H LEU 40 -1.289 7.554 6.060 283 HA LEU 40 HA LEU 40 0.734 8.469 4.246 284 HB2 LEU 40 2HB LEU 40 -1.055 8.748 2.663 285 HB3 LEU 40 1HB LEU 40 -1.373 7.265 3.554 286 HG LEU 40 HG LEU 40 -2.615 9.948 4.240 287 HD11 LEU 40 1HD1 LEU 40 -4.675 8.962 3.274 288 HD12 LEU 40 2HD1 LEU 40 -3.711 7.605 2.689 289 HD13 LEU 40 3HD1 LEU 40 -3.410 9.232 2.075 290 HD21 LEU 40 3HD2 LEU 40 -2.687 8.676 6.192 291 HD22 LEU 40 1HD2 LEU 40 -2.863 7.158 5.314 292 HD23 LEU 40 2HD2 LEU 40 -4.220 8.276 5.428 293 H THR 41 H THR 41 -1.345 9.937 6.573 294 HA THR 41 HA THR 41 -1.697 12.494 5.593 295 HB THR 41 HB THR 41 -1.701 13.228 7.973 296 HG1 THR 41 1HG THR 41 -1.518 11.191 9.365 297 HG21 THR 41 3HG2 THR 41 -3.594 11.845 8.636 298 HG22 THR 41 1HG2 THR 41 -3.118 10.594 7.487 299 HG23 THR 41 2HG2 THR 41 -3.681 12.160 6.903 300 H SER 42 H SER 42 1.210 11.055 7.036 301 HA SER 42 HA SER 42 2.754 13.215 7.591 302 HB2 SER 42 2HB SER 42 4.685 11.812 7.018 303 HB3 SER 42 1HB SER 42 3.465 10.850 7.848 304 HG SER 42 HG SER 42 4.530 10.298 5.575 305 H TYR 43 H TYR 43 1.902 11.987 4.389 306 HA TYR 43 HA TYR 43 3.755 13.618 2.939 307 HB2 TYR 43 2HB TYR 43 1.179 12.538 1.823 308 HB3 TYR 43 1HB TYR 43 2.716 12.761 1.008 309 HD1 TYR 43 1HD TYR 43 4.483 11.562 3.269 310 HD2 TYR 43 2HD TYR 43 0.885 10.206 1.335 311 HE1 TYR 43 1HE TYR 43 5.084 9.234 3.789 312 HE2 TYR 43 2HE TYR 43 1.503 7.865 1.862 313 HH TYR 43 HH TYR 43 3.391 6.920 4.059 314 H GLY 44 H GLY 44 0.999 14.374 4.650 315 HA2 GLY 44 2HA GLY 44 -0.219 16.308 4.865 316 HA3 GLY 44 1HA GLY 44 1.064 17.094 3.950 317 H LEU 45 H LEU 45 -0.662 14.391 2.602 318 HA LEU 45 HA LEU 45 -1.522 15.993 0.372 319 HB2 LEU 45 2HB LEU 45 -2.091 13.961 -0.652 320 HB3 LEU 45 1HB LEU 45 -0.699 13.558 0.341 321 HG LEU 45 HG LEU 45 -3.607 13.076 1.104 322 HD11 LEU 45 1HD1 LEU 45 -1.921 10.713 0.966 323 HD12 LEU 45 2HD1 LEU 45 -1.933 11.555 -0.585 324 HD13 LEU 45 3HD1 LEU 45 -3.450 11.054 0.161 325 HD21 LEU 45 3HD2 LEU 45 -2.535 11.795 2.991 326 HD22 LEU 45 1HD2 LEU 45 -2.294 13.525 3.099 327 HD23 LEU 45 2HD2 LEU 45 -0.997 12.498 2.529 328 H ASP 46 H ASP 46 -3.547 16.678 -0.139 329 HA ASP 46 HA ASP 46 -5.479 16.852 1.979 330 HB2 ASP 46 2HB ASP 46 -5.540 17.641 -0.931 331 HB3 ASP 46 1HB ASP 46 -6.897 17.904 0.163 332 H SER 47 H SER 47 -7.875 16.342 1.351 333 HA SER 47 HA SER 47 -8.162 13.541 1.216 334 HB2 SER 47 2HB SER 47 -10.576 14.014 0.976 335 HB3 SER 47 1HB SER 47 -9.845 14.982 2.253 336 HG SER 47 HG SER 47 -10.949 15.738 -0.152 337 H VAL 48 H VAL 48 -8.211 16.033 -1.252 338 HA VAL 48 HA VAL 48 -9.418 14.703 -3.369 339 HB VAL 48 HB VAL 48 -7.048 16.581 -3.480 340 HG11 VAL 48 1HG1 VAL 48 -9.050 15.668 -5.566 341 HG12 VAL 48 2HG1 VAL 48 -7.303 15.435 -5.599 342 HG13 VAL 48 3HG1 VAL 48 -7.979 17.053 -5.779 343 HG21 VAL 48 3HG2 VAL 48 -10.039 17.071 -3.632 344 HG22 VAL 48 1HG2 VAL 48 -8.795 18.298 -3.872 345 HG23 VAL 48 2HG2 VAL 48 -8.985 17.530 -2.296 346 H TYR 49 H TYR 49 -6.360 14.131 -1.863 347 HA TYR 49 HA TYR 49 -5.251 12.623 -4.068 348 HB2 TYR 49 2HB TYR 49 -4.418 13.172 -1.230 349 HB3 TYR 49 1HB TYR 49 -3.624 11.906 -2.147 350 HD1 TYR 49 1HD TYR 49 -4.879 15.365 -2.936 351 HD2 TYR 49 2HD TYR 49 -1.597 12.597 -3.044 352 HE1 TYR 49 1HE TYR 49 -3.486 17.062 -4.071 353 HE2 TYR 49 2HE TYR 49 -0.207 14.290 -4.169 354 HH TYR 49 HH TYR 49 -0.477 16.286 -5.527 355 H ALA 50 H ALA 50 -7.048 11.941 -1.115 356 HA ALA 50 HA ALA 50 -6.555 9.240 -0.820 357 HB1 ALA 50 1HB ALA 50 -9.251 10.572 -0.494 358 HB2 ALA 50 2HB ALA 50 -7.948 10.675 0.689 359 HB3 ALA 50 3HB ALA 50 -8.683 9.115 0.320 360 H LEU 51 H LEU 51 -9.064 10.754 -2.836 361 HA LEU 51 HA LEU 51 -10.077 8.310 -3.874 362 HB2 LEU 51 2HB LEU 51 -11.183 9.717 -5.557 363 HB3 LEU 51 1HB LEU 51 -11.379 10.367 -3.931 364 HG LEU 51 HG LEU 51 -9.047 11.590 -4.706 365 HD11 LEU 51 1HD1 LEU 51 -10.784 11.765 -7.157 366 HD12 LEU 51 2HD1 LEU 51 -9.517 10.550 -7.030 367 HD13 LEU 51 3HD1 LEU 51 -9.103 12.262 -6.959 368 HD21 LEU 51 3HD2 LEU 51 -10.479 13.596 -5.149 369 HD22 LEU 51 1HD2 LEU 51 -10.890 12.744 -3.659 370 HD23 LEU 51 2HD2 LEU 51 -11.889 12.536 -5.095 371 H SER 52 H SER 52 -7.672 10.625 -5.113 372 HA SER 52 HA SER 52 -7.231 9.242 -7.562 373 HB2 SER 52 2HB SER 52 -6.690 11.701 -6.917 374 HB3 SER 52 1HB SER 52 -5.197 11.035 -6.242 375 HG SER 52 HG SER 52 -6.142 10.530 -8.881 376 H ILE 53 H ILE 53 -5.309 9.494 -4.583 377 HA ILE 53 HA ILE 53 -3.297 7.690 -5.342 378 HB ILE 53 HB ILE 53 -4.334 8.411 -2.587 379 HG12 ILE 53 2HG1 ILE 53 -3.507 10.333 -3.915 380 HG13 ILE 53 1HG1 ILE 53 -2.424 9.972 -2.568 381 HG21 ILE 53 1HG2 ILE 53 -3.096 6.452 -2.221 382 HG22 ILE 53 2HG2 ILE 53 -1.884 7.713 -2.005 383 HG23 ILE 53 3HG2 ILE 53 -1.954 6.808 -3.518 384 HD11 ILE 53 3HD1 ILE 53 -2.000 9.646 -5.500 385 HD12 ILE 53 1HD1 ILE 53 -1.219 8.476 -4.442 386 HD13 ILE 53 2HD1 ILE 53 -0.877 10.189 -4.258 387 H ALA 54 H ALA 54 -6.022 7.126 -3.110 388 HA ALA 54 HA ALA 54 -5.698 4.403 -2.767 389 HB1 ALA 54 1HB ALA 54 -8.384 5.758 -3.058 390 HB2 ALA 54 2HB ALA 54 -7.389 5.859 -1.603 391 HB3 ALA 54 3HB ALA 54 -8.014 4.300 -2.139 392 H ALA 55 H ALA 55 -7.328 6.122 -5.397 393 HA ALA 55 HA ALA 55 -8.310 3.795 -6.715 394 HB1 ALA 55 1HB ALA 55 -7.744 6.584 -7.723 395 HB2 ALA 55 2HB ALA 55 -9.300 5.925 -7.220 396 HB3 ALA 55 3HB ALA 55 -8.522 5.329 -8.686 397 H GLU 56 H GLU 56 -5.312 5.626 -6.933 398 HA GLU 56 HA GLU 56 -4.316 4.285 -9.254 399 HB2 GLU 56 2HB GLU 56 -3.508 6.505 -8.514 400 HB3 GLU 56 1HB GLU 56 -2.781 5.750 -7.095 401 HG2 GLU 56 2HG GLU 56 -1.336 4.384 -8.514 402 HG3 GLU 56 1HG GLU 56 -2.106 5.032 -9.961 403 H LEU 57 H LEU 57 -3.555 3.944 -5.791 404 HA LEU 57 HA LEU 57 -1.690 1.820 -6.042 405 HB2 LEU 57 2HB LEU 57 -3.597 2.374 -3.739 406 HB3 LEU 57 1HB LEU 57 -2.079 1.494 -3.648 407 HG LEU 57 HG LEU 57 -2.307 4.395 -4.477 408 HD11 LEU 57 1HD1 LEU 57 -1.531 3.157 -1.826 409 HD12 LEU 57 2HD1 LEU 57 -2.967 4.131 -2.139 410 HD13 LEU 57 3HD1 LEU 57 -1.366 4.867 -2.224 411 HD21 LEU 57 3HD2 LEU 57 0.036 2.593 -3.847 412 HD22 LEU 57 1HD2 LEU 57 0.164 4.344 -3.922 413 HD23 LEU 57 2HD2 LEU 57 -0.288 3.438 -5.360 414 H GLU 58 H GLU 58 -5.177 1.734 -5.299 415 HA GLU 58 HA GLU 58 -5.299 -1.093 -5.228 416 HB2 GLU 58 2HB GLU 58 -7.684 -0.823 -5.337 417 HB3 GLU 58 1HB GLU 58 -7.014 0.394 -4.286 418 HG2 GLU 58 2HG GLU 58 -8.342 1.787 -5.560 419 HG3 GLU 58 1HG GLU 58 -6.929 1.778 -6.592 420 H ASP 59 H ASP 59 -5.765 1.230 -7.866 421 HA ASP 59 HA ASP 59 -6.795 -0.522 -9.800 422 HB2 ASP 59 2HB ASP 59 -5.219 2.038 -9.917 423 HB3 ASP 59 1HB ASP 59 -5.517 1.147 -11.403 424 H HIS 60 H HIS 60 -3.590 -0.105 -8.557 425 HA HIS 60 HA HIS 60 -2.261 -1.493 -10.717 426 HB2 HIS 60 2HB HIS 60 -1.402 -0.709 -7.934 427 HB3 HIS 60 1HB HIS 60 -0.358 -1.625 -9.018 428 HD1 HIS 60 1HD HIS 60 -0.470 -0.392 -11.626 429 HD2 HIS 60 2HD HIS 60 -0.836 1.968 -8.211 430 HE1 HIS 60 1HE HIS 60 0.104 1.973 -12.326 431 HE2 HIS 60 2HE HIS 60 -0.124 3.426 -10.255 432 H LEU 61 H LEU 61 -3.637 -2.422 -7.611 433 HA LEU 61 HA LEU 61 -2.781 -5.215 -8.024 434 HB2 LEU 61 2HB LEU 61 -3.974 -3.855 -5.588 435 HB3 LEU 61 1HB LEU 61 -3.481 -5.542 -5.669 436 HG LEU 61 HG LEU 61 -1.715 -4.229 -4.615 437 HD11 LEU 61 1HD1 LEU 61 -1.250 -6.058 -6.456 438 HD12 LEU 61 2HD1 LEU 61 0.072 -5.078 -5.815 439 HD13 LEU 61 3HD1 LEU 61 -0.641 -4.676 -7.377 440 HD21 LEU 61 3HD2 LEU 61 -0.929 -2.239 -5.409 441 HD22 LEU 61 1HD2 LEU 61 -2.512 -2.177 -6.139 442 HD23 LEU 61 2HD2 LEU 61 -1.133 -2.692 -7.087 443 H ASP 62 H ASP 62 -5.085 -3.650 -9.371 444 HA ASP 62 HA ASP 62 -7.305 -3.992 -9.871 445 HB2 ASP 62 2HB ASP 62 -6.133 -6.758 -9.693 446 HB3 ASP 62 1HB ASP 62 -7.733 -6.423 -10.345 447 H VAL 63 H VAL 63 -7.641 -3.232 -7.488 448 HA VAL 63 HA VAL 63 -9.517 -5.129 -6.274 449 HB VAL 63 HB VAL 63 -8.437 -4.446 -3.979 450 HG11 VAL 63 1HG1 VAL 63 -7.096 -6.369 -5.890 451 HG12 VAL 63 2HG1 VAL 63 -8.457 -6.731 -4.832 452 HG13 VAL 63 3HG1 VAL 63 -6.878 -6.360 -4.143 453 HG21 VAL 63 3HG2 VAL 63 -5.931 -4.219 -4.230 454 HG22 VAL 63 1HG2 VAL 63 -6.834 -2.820 -4.789 455 HG23 VAL 63 2HG2 VAL 63 -6.181 -3.966 -5.951 456 H SER 64 H SER 64 -10.998 -4.103 -4.789 457 HA SER 64 HA SER 64 -11.145 -1.156 -5.128 458 HB2 SER 64 2HB SER 64 -13.582 -1.422 -4.918 459 HB3 SER 64 1HB SER 64 -12.957 -2.339 -6.287 460 HG SER 64 HG SER 64 -14.262 -3.716 -5.173 461 H LEU 65 H LEU 65 -11.368 0.065 -3.333 462 HA LEU 65 HA LEU 65 -11.422 -1.340 -0.720 463 HB2 LEU 65 2HB LEU 65 -10.425 1.471 -0.853 464 HB3 LEU 65 1HB LEU 65 -9.836 0.103 0.091 465 HG LEU 65 HG LEU 65 -9.057 -0.872 -2.180 466 HD11 LEU 65 1HD1 LEU 65 -8.635 1.781 -3.310 467 HD12 LEU 65 2HD1 LEU 65 -10.355 1.459 -3.141 468 HD13 LEU 65 3HD1 LEU 65 -9.340 0.348 -4.053 469 HD21 LEU 65 3HD2 LEU 65 -6.937 0.285 -1.995 470 HD22 LEU 65 1HD2 LEU 65 -7.594 0.108 -0.369 471 HD23 LEU 65 2HD2 LEU 65 -7.702 1.659 -1.200 472 H ASP 66 H ASP 66 -12.356 -0.037 1.058 473 HA ASP 66 HA ASP 66 -14.829 1.199 0.109 474 HB2 ASP 66 2HB ASP 66 -14.077 -0.494 2.346 475 HB3 ASP 66 1HB ASP 66 -14.944 0.926 2.923 476 HA PRO 67 HA PRO 67 -13.888 5.301 1.362 477 HB2 PRO 67 2HB PRO 67 -16.289 5.416 3.129 478 HB3 PRO 67 1HB PRO 67 -15.894 6.393 1.705 479 HG2 PRO 67 2HG PRO 67 -17.787 4.510 1.629 480 HG3 PRO 67 1HG PRO 67 -16.734 4.828 0.237 481 HD2 PRO 67 2HD PRO 67 -16.598 2.583 2.230 482 HD3 PRO 67 1HD PRO 67 -16.335 2.568 0.476 483 H THR 68 H THR 68 -15.541 4.236 4.328 484 HA THR 68 HA THR 68 -13.701 5.473 6.070 485 HB THR 68 HB THR 68 -14.836 4.163 7.841 486 HG1 THR 68 1HG THR 68 -15.186 2.456 5.941 487 HG21 THR 68 3HG2 THR 68 -16.780 5.212 5.767 488 HG22 THR 68 1HG2 THR 68 -15.851 6.238 6.861 489 HG23 THR 68 2HG2 THR 68 -17.044 5.111 7.508 490 H LEU 69 H LEU 69 -13.470 2.633 4.269 491 HA LEU 69 HA LEU 69 -11.809 1.116 6.054 492 HB2 LEU 69 2HB LEU 69 -13.120 0.044 4.295 493 HB3 LEU 69 1HB LEU 69 -12.180 0.874 3.059 494 HG LEU 69 HG LEU 69 -10.850 -0.837 5.171 495 HD11 LEU 69 1HD1 LEU 69 -11.933 -1.753 2.498 496 HD12 LEU 69 2HD1 LEU 69 -12.547 -2.218 4.083 497 HD13 LEU 69 3HD1 LEU 69 -10.929 -2.718 3.582 498 HD21 LEU 69 3HD2 LEU 69 -9.445 -1.064 2.772 499 HD22 LEU 69 1HD2 LEU 69 -9.027 0.009 4.105 500 HD23 LEU 69 2HD2 LEU 69 -9.982 0.611 2.745 501 H ILE 70 H ILE 70 -11.220 3.319 3.339 502 HA ILE 70 HA ILE 70 -8.453 2.951 3.106 503 HB ILE 70 HB ILE 70 -10.197 5.372 2.603 504 HG12 ILE 70 2HG1 ILE 70 -8.802 3.623 0.569 505 HG13 ILE 70 1HG1 ILE 70 -10.349 3.136 1.246 506 HG21 ILE 70 1HG2 ILE 70 -7.246 4.916 2.132 507 HG22 ILE 70 2HG2 ILE 70 -8.028 6.291 2.915 508 HG23 ILE 70 3HG2 ILE 70 -8.170 6.072 1.171 509 HD11 ILE 70 3HD1 ILE 70 -11.472 5.017 0.355 510 HD12 ILE 70 1HD1 ILE 70 -10.381 4.521 -0.940 511 HD13 ILE 70 2HD1 ILE 70 -9.964 5.895 0.084 512 H TRP 71 H TRP 71 -10.339 5.034 5.238 513 HA TRP 71 HA TRP 71 -7.998 6.223 6.455 514 HB2 TRP 71 2HB TRP 71 -10.955 6.323 7.047 515 HB3 TRP 71 1HB TRP 71 -9.772 7.042 8.139 516 HD1 TRP 71 HD TRP 71 -11.813 7.895 5.249 517 HE1 TRP 71 1HE TRP 71 -10.941 10.021 4.077 518 HE3 TRP 71 3HE TRP 71 -7.207 8.265 7.418 519 HZ2 TRP 71 2HZ TRP 71 -8.585 11.661 4.059 520 HZ3 TRP 71 3HZ TRP 71 -5.672 10.112 6.808 521 HH2 TRP 71 HH TRP 71 -6.356 11.808 5.135 522 H ASP 72 H ASP 72 -9.336 3.211 6.624 523 HA ASP 72 HA ASP 72 -8.906 2.791 9.495 524 HB2 ASP 72 2HB ASP 72 -10.816 1.725 8.197 525 HB3 ASP 72 1HB ASP 72 -9.603 0.692 7.432 526 H HIS 73 H HIS 73 -7.455 1.983 6.390 527 HA HIS 73 HA HIS 73 -5.117 0.820 7.814 528 HB2 HIS 73 2HB HIS 73 -5.961 0.245 4.968 529 HB3 HIS 73 1HB HIS 73 -4.745 -0.603 5.931 530 HD1 HIS 73 1HD HIS 73 -6.609 -0.621 8.565 531 HD2 HIS 73 2HD HIS 73 -7.649 -2.015 4.777 532 HE1 HIS 73 1HE HIS 73 -8.496 -2.279 8.902 533 HE2 HIS 73 2HE HIS 73 -9.132 -3.145 6.603 534 HA PRO 74 HA PRO 74 -3.940 4.681 5.311 535 HB2 PRO 74 2HB PRO 74 -3.189 6.268 7.418 536 HB3 PRO 74 1HB PRO 74 -4.850 6.205 6.800 537 HG2 PRO 74 2HG PRO 74 -3.661 4.807 9.160 538 HG3 PRO 74 1HG PRO 74 -5.215 5.654 9.018 539 HD2 PRO 74 2HD PRO 74 -5.047 2.936 8.855 540 HD3 PRO 74 1HD PRO 74 -6.237 3.886 7.934 541 H THR 75 H THR 75 -2.611 2.375 7.284 542 HA THR 75 HA THR 75 0.167 3.337 6.861 543 HB THR 75 HB THR 75 0.726 1.683 8.704 544 HG1 THR 75 1HG THR 75 -1.433 0.685 8.469 545 HG21 THR 75 3HG2 THR 75 0.804 3.968 9.288 546 HG22 THR 75 1HG2 THR 75 -0.270 3.257 10.494 547 HG23 THR 75 2HG2 THR 75 -0.946 4.157 9.136 548 H ILE 76 H ILE 76 1.757 1.633 6.512 549 HA ILE 76 HA ILE 76 0.970 -0.069 4.351 550 HB ILE 76 HB ILE 76 3.573 0.152 5.877 551 HG12 ILE 76 2HG1 ILE 76 2.587 1.161 3.188 552 HG13 ILE 76 1HG1 ILE 76 3.047 2.134 4.580 553 HG21 ILE 76 1HG2 ILE 76 4.550 -1.190 4.032 554 HG22 ILE 76 2HG2 ILE 76 2.944 -1.407 3.346 555 HG23 ILE 76 3HG2 ILE 76 3.343 -2.119 4.901 556 HD11 ILE 76 3HD1 ILE 76 5.337 0.657 4.180 557 HD12 ILE 76 1HD1 ILE 76 5.063 2.273 3.526 558 HD13 ILE 76 2HD1 ILE 76 4.740 0.854 2.540 559 H ASP 77 H ASP 77 1.801 -0.590 7.746 560 HA ASP 77 HA ASP 77 1.977 -3.353 7.790 561 HB2 ASP 77 2HB ASP 77 2.386 -1.757 9.705 562 HB3 ASP 77 1HB ASP 77 0.639 -1.689 9.928 563 H ALA 78 H ALA 78 -0.950 -1.341 8.169 564 HA ALA 78 HA ALA 78 -2.706 -3.576 8.378 565 HB1 ALA 78 1HB ALA 78 -4.474 -1.829 7.949 566 HB2 ALA 78 2HB ALA 78 -3.174 -0.652 7.760 567 HB3 ALA 78 3HB ALA 78 -3.406 -1.473 9.305 568 H LEU 79 H LEU 79 -1.924 -1.317 5.735 569 HA LEU 79 HA LEU 79 -3.679 -2.418 3.861 570 HB2 LEU 79 2HB LEU 79 -2.013 -0.284 3.853 571 HB3 LEU 79 1HB LEU 79 -1.065 -1.374 2.864 572 HG LEU 79 HG LEU 79 -2.451 -0.133 1.362 573 HD11 LEU 79 1HD1 LEU 79 -4.043 -2.678 1.613 574 HD12 LEU 79 2HD1 LEU 79 -2.352 -2.738 1.160 575 HD13 LEU 79 3HD1 LEU 79 -3.488 -1.849 0.163 576 HD21 LEU 79 3HD2 LEU 79 -4.640 0.494 1.768 577 HD22 LEU 79 1HD2 LEU 79 -4.179 0.233 3.446 578 HD23 LEU 79 2HD2 LEU 79 -5.049 -1.021 2.568 579 H SER 80 H SER 80 -0.270 -3.158 4.526 580 HA SER 80 HA SER 80 0.103 -5.054 2.490 581 HB2 SER 80 2HB SER 80 2.009 -5.823 3.818 582 HB3 SER 80 1HB SER 80 1.944 -4.063 3.809 583 HG SER 80 HG SER 80 0.791 -5.691 5.827 584 H THR 81 H THR 81 -0.870 -5.451 5.887 585 HA THR 81 HA THR 81 -1.104 -8.234 5.933 586 HB THR 81 HB THR 81 -2.760 -6.163 7.389 587 HG1 THR 81 1HG THR 81 -0.871 -5.913 8.272 588 HG21 THR 81 3HG2 THR 81 -3.966 -8.210 7.527 589 HG22 THR 81 1HG2 THR 81 -3.039 -8.111 9.026 590 HG23 THR 81 2HG2 THR 81 -2.488 -9.155 7.711 591 H ALA 82 H ALA 82 -3.447 -5.777 4.933 592 HA ALA 82 HA ALA 82 -5.559 -7.622 4.413 593 HB1 ALA 82 1HB ALA 82 -6.582 -5.734 3.182 594 HB2 ALA 82 2HB ALA 82 -5.076 -4.830 3.347 595 HB3 ALA 82 3HB ALA 82 -6.013 -5.252 4.781 596 H LEU 83 H LEU 83 -3.014 -6.145 2.369 597 HA LEU 83 HA LEU 83 -3.978 -7.097 -0.086 598 HB2 LEU 83 2HB LEU 83 -2.015 -5.405 0.604 599 HB3 LEU 83 1HB LEU 83 -1.017 -6.839 0.373 600 HG LEU 83 HG LEU 83 -2.917 -5.622 -1.651 601 HD11 LEU 83 1HD1 LEU 83 0.064 -5.617 -1.259 602 HD12 LEU 83 2HD1 LEU 83 -1.006 -4.298 -1.724 603 HD13 LEU 83 3HD1 LEU 83 -0.591 -5.547 -2.894 604 HD21 LEU 83 3HD2 LEU 83 -3.033 -7.948 -2.040 605 HD22 LEU 83 1HD2 LEU 83 -1.338 -8.196 -1.600 606 HD23 LEU 83 2HD2 LEU 83 -1.749 -7.414 -3.128 607 H VAL 84 H VAL 84 -1.486 -8.457 2.088 608 HA VAL 84 HA VAL 84 -0.981 -10.764 0.559 609 HB VAL 84 HB VAL 84 0.466 -10.001 2.407 610 HG11 VAL 84 1HG1 VAL 84 -1.741 -11.058 4.196 611 HG12 VAL 84 2HG1 VAL 84 -1.373 -9.363 3.925 612 HG13 VAL 84 3HG1 VAL 84 -0.195 -10.390 4.716 613 HG21 VAL 84 3HG2 VAL 84 -0.680 -12.800 2.676 614 HG22 VAL 84 1HG2 VAL 84 0.809 -12.262 3.433 615 HG23 VAL 84 2HG2 VAL 84 0.685 -12.308 1.678 616 H ALA 85 H ALA 85 -3.468 -9.967 2.913 617 HA ALA 85 HA ALA 85 -4.468 -12.536 3.405 618 HB1 ALA 85 1HB ALA 85 -6.425 -11.486 4.213 619 HB2 ALA 85 2HB ALA 85 -6.227 -10.105 3.136 620 HB3 ALA 85 3HB ALA 85 -5.141 -10.316 4.510 621 H GLU 86 H GLU 86 -4.991 -10.310 0.731 622 HA GLU 86 HA GLU 86 -7.135 -11.651 -0.524 623 HB2 GLU 86 2HB GLU 86 -4.862 -10.144 -1.836 624 HB3 GLU 86 1HB GLU 86 -6.417 -10.525 -2.573 625 HG2 GLU 86 2HG GLU 86 -6.058 -8.870 -0.074 626 HG3 GLU 86 1HG GLU 86 -6.329 -8.205 -1.676 627 H LEU 87 H LEU 87 -3.799 -12.496 -0.225 628 HA LEU 87 HA LEU 87 -3.944 -14.449 -2.420 629 HB2 LEU 87 2HB LEU 87 -1.906 -13.088 -2.298 630 HB3 LEU 87 1HB LEU 87 -1.623 -13.630 -0.645 631 HG LEU 87 HG LEU 87 -1.366 -15.948 -1.431 632 HD11 LEU 87 1HD1 LEU 87 -2.734 -16.222 -3.307 633 HD12 LEU 87 2HD1 LEU 87 -1.145 -16.108 -4.062 634 HD13 LEU 87 3HD1 LEU 87 -2.212 -14.703 -4.036 635 HD21 LEU 87 3HD2 LEU 87 0.663 -14.700 -1.361 636 HD22 LEU 87 1HD2 LEU 87 0.263 -13.830 -2.841 637 HD23 LEU 87 2HD2 LEU 87 0.678 -15.545 -2.910 638 H ARG 88 H ARG 88 -4.110 -14.234 1.027 639 HA ARG 88 HA ARG 88 -3.286 -16.838 1.712 640 HB2 ARG 88 2HB ARG 88 -5.200 -14.913 3.027 641 HB3 ARG 88 1HB ARG 88 -4.791 -16.475 3.736 642 HG2 ARG 88 2HG ARG 88 -2.368 -15.830 3.616 643 HG3 ARG 88 1HG ARG 88 -2.866 -14.230 3.066 644 HD2 ARG 88 2HD ARG 88 -2.515 -14.139 5.468 645 HD3 ARG 88 1HD ARG 88 -4.240 -13.999 5.151 646 HE ARG 88 HE ARG 88 -3.541 -16.724 5.546 647 HH11 ARG 88 1HH2 ARG 88 -3.955 -13.701 7.176 648 HH12 ARG 88 2HH2 ARG 88 -4.383 -14.420 8.694 649 HH21 ARG 88 1HH1 ARG 88 -4.103 -17.675 7.531 650 HH22 ARG 88 2HH1 ARG 88 -4.466 -16.671 8.894 651 H SER 89 H SER 89 -6.441 -15.553 0.741 652 HA SER 89 HA SER 89 -7.971 -17.859 1.225 653 HB2 SER 89 2HB SER 89 -9.189 -15.906 0.747 654 HB3 SER 89 1HB SER 89 -8.238 -15.556 -0.694 655 HG SER 89 HG SER 89 -9.420 -17.998 -0.811 656 H ALA 90 H ALA 90 -6.799 -16.735 -1.961 657 HA ALA 90 HA ALA 90 -7.312 -19.122 -3.331 658 HB1 ALA 90 1HB ALA 90 -5.590 -18.259 -4.968 659 HB2 ALA 90 2HB ALA 90 -5.294 -16.930 -3.846 660 HB3 ALA 90 3HB ALA 90 -6.884 -17.125 -4.585 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 17.009 -8.571 -17.131 2 H2 GLY 1 2HT GLY 1 16.377 -9.881 -18.010 3 H3 GLY 1 3HT GLY 1 16.010 -9.705 -16.361 4 HA2 GLY 1 2HA GLY 1 15.308 -7.410 -17.953 5 HA3 GLY 1 1HA GLY 1 14.431 -8.881 -18.380 6 H HIS 2 H HIS 2 12.896 -9.681 -17.005 7 HA HIS 2 HA HIS 2 11.196 -9.435 -15.444 8 HB2 HIS 2 2HB HIS 2 13.693 -9.326 -13.737 9 HB3 HIS 2 1HB HIS 2 12.067 -9.612 -13.113 10 HD1 HIS 2 1HD HIS 2 14.751 -11.197 -15.227 11 HD2 HIS 2 2HD HIS 2 11.025 -12.194 -13.645 12 HE1 HIS 2 1HE HIS 2 14.467 -13.689 -15.579 13 HE2 HIS 2 2HE HIS 2 12.201 -14.312 -14.620 14 H MET 3 H MET 3 11.228 -7.092 -16.610 15 HA MET 3 HA MET 3 11.985 -4.844 -15.073 16 HB2 MET 3 2HB MET 3 9.815 -5.129 -17.165 17 HB3 MET 3 1HB MET 3 10.427 -3.597 -16.544 18 HG2 MET 3 2HG MET 3 11.661 -3.940 -18.532 19 HG3 MET 3 1HG MET 3 12.761 -4.460 -17.255 20 HE1 MET 3 3HE MET 3 13.665 -5.107 -19.590 21 HE2 MET 3 1HE MET 3 12.381 -5.550 -20.722 22 HE3 MET 3 2HE MET 3 13.550 -6.758 -20.194 23 H SER 4 H SER 4 8.959 -6.674 -15.287 24 HA SER 4 HA SER 4 8.191 -6.227 -12.632 25 HB2 SER 4 2HB SER 4 7.780 -3.952 -12.956 26 HB3 SER 4 1HB SER 4 7.219 -4.189 -14.610 27 HG SER 4 HG SER 4 5.841 -4.261 -12.266 28 H ASP 5 H ASP 5 6.857 -7.857 -12.210 29 HA ASP 5 HA ASP 5 4.602 -8.477 -13.873 30 HB2 ASP 5 2HB ASP 5 5.363 -10.861 -14.218 31 HB3 ASP 5 1HB ASP 5 6.173 -9.654 -15.206 32 H LEU 6 H LEU 6 6.625 -10.515 -11.777 33 HA LEU 6 HA LEU 6 6.237 -11.472 -9.745 34 HB2 LEU 6 2HB LEU 6 5.136 -8.898 -9.513 35 HB3 LEU 6 1HB LEU 6 3.857 -9.950 -8.924 36 HG LEU 6 HG LEU 6 6.727 -10.082 -7.964 37 HD11 LEU 6 1HD1 LEU 6 4.390 -8.954 -6.417 38 HD12 LEU 6 2HD1 LEU 6 5.356 -7.918 -7.468 39 HD13 LEU 6 3HD1 LEU 6 6.118 -8.750 -6.123 40 HD21 LEU 6 3HD2 LEU 6 4.112 -11.385 -7.147 41 HD22 LEU 6 1HD2 LEU 6 5.509 -11.326 -6.070 42 HD23 LEU 6 2HD2 LEU 6 5.620 -12.174 -7.611 43 H SER 7 H SER 7 5.313 -13.370 -9.359 44 HA SER 7 HA SER 7 3.208 -14.328 -11.013 45 HB2 SER 7 2HB SER 7 3.428 -16.378 -9.783 46 HB3 SER 7 1HB SER 7 5.047 -15.723 -10.005 47 HG SER 7 HG SER 7 3.525 -16.017 -7.711 48 H THR 8 H THR 8 1.460 -15.693 -9.613 49 HA THR 8 HA THR 8 -0.143 -13.621 -8.303 50 HB THR 8 HB THR 8 -1.096 -16.441 -8.749 51 HG1 THR 8 1HG THR 8 -1.625 -14.831 -10.827 52 HG21 THR 8 3HG2 THR 8 -3.224 -15.419 -8.896 53 HG22 THR 8 1HG2 THR 8 -2.533 -13.832 -9.240 54 HG23 THR 8 2HG2 THR 8 -2.411 -14.513 -7.618 55 H ALA 9 H ALA 9 2.238 -15.166 -7.094 56 HA ALA 9 HA ALA 9 0.867 -15.855 -4.561 57 HB1 ALA 9 1HB ALA 9 1.471 -17.953 -5.643 58 HB2 ALA 9 2HB ALA 9 2.504 -17.686 -4.239 59 HB3 ALA 9 3HB ALA 9 3.128 -17.392 -5.862 60 HA PRO 10 HA PRO 10 4.559 -12.827 -4.326 61 HB2 PRO 10 2HB PRO 10 2.995 -10.743 -3.296 62 HB3 PRO 10 1HB PRO 10 3.468 -10.896 -4.985 63 HG2 PRO 10 2HG PRO 10 0.911 -11.631 -3.653 64 HG3 PRO 10 1HG PRO 10 1.189 -10.929 -5.259 65 HD2 PRO 10 2HD PRO 10 0.593 -13.551 -4.943 66 HD3 PRO 10 1HD PRO 10 1.695 -12.993 -6.220 67 H THR 11 H THR 11 5.600 -12.356 -2.348 68 HA THR 11 HA THR 11 4.421 -13.648 0.022 69 HB THR 11 HB THR 11 7.238 -12.627 -0.368 70 HG1 THR 11 1HG THR 11 6.121 -15.200 -0.781 71 HG21 THR 11 3HG2 THR 11 5.905 -14.505 1.595 72 HG22 THR 11 1HG2 THR 11 6.667 -12.954 1.950 73 HG23 THR 11 2HG2 THR 11 7.652 -14.328 1.447 74 H LEU 12 H LEU 12 4.498 -12.580 2.082 75 HA LEU 12 HA LEU 12 3.378 -10.106 2.275 76 HB2 LEU 12 2HB LEU 12 5.264 -11.522 4.154 77 HB3 LEU 12 1HB LEU 12 4.501 -9.990 4.574 78 HG LEU 12 HG LEU 12 2.269 -11.029 4.054 79 HD11 LEU 12 1HD1 LEU 12 4.053 -13.443 3.673 80 HD12 LEU 12 2HD1 LEU 12 2.734 -12.871 2.651 81 HD13 LEU 12 3HD1 LEU 12 2.383 -13.644 4.198 82 HD21 LEU 12 3HD2 LEU 12 3.261 -10.858 6.369 83 HD22 LEU 12 1HD2 LEU 12 3.837 -12.515 6.184 84 HD23 LEU 12 2HD2 LEU 12 2.105 -12.175 6.175 85 H ASP 13 H ASP 13 6.769 -10.844 1.872 86 HA ASP 13 HA ASP 13 7.727 -8.197 2.387 87 HB2 ASP 13 2HB ASP 13 9.174 -10.175 0.650 88 HB3 ASP 13 1HB ASP 13 9.834 -8.949 1.726 89 H SER 14 H SER 14 6.610 -9.912 -0.503 90 HA SER 14 HA SER 14 7.601 -8.058 -2.391 91 HB2 SER 14 2HB SER 14 5.957 -9.067 -3.888 92 HB3 SER 14 1HB SER 14 6.883 -10.282 -3.023 93 HG SER 14 HG SER 14 4.710 -9.551 -1.615 94 H LEU 15 H LEU 15 4.576 -8.240 -0.555 95 HA LEU 15 HA LEU 15 3.447 -6.019 -1.914 96 HB2 LEU 15 2HB LEU 15 2.620 -7.107 0.767 97 HB3 LEU 15 1HB LEU 15 1.657 -6.144 -0.336 98 HG LEU 15 HG LEU 15 0.862 -8.270 -0.809 99 HD11 LEU 15 1HD1 LEU 15 1.831 -7.222 -2.914 100 HD12 LEU 15 2HD1 LEU 15 1.586 -8.959 -2.971 101 HD13 LEU 15 3HD1 LEU 15 3.208 -8.316 -2.720 102 HD21 LEU 15 3HD2 LEU 15 1.887 -9.942 0.294 103 HD22 LEU 15 1HD2 LEU 15 3.437 -9.120 0.258 104 HD23 LEU 15 2HD2 LEU 15 2.950 -10.115 -1.110 105 H ARG 16 H ARG 16 4.351 -6.396 1.466 106 HA ARG 16 HA ARG 16 4.279 -3.873 2.384 107 HB2 ARG 16 2HB ARG 16 5.161 -5.690 3.713 108 HB3 ARG 16 1HB ARG 16 6.602 -5.763 2.709 109 HG2 ARG 16 2HG ARG 16 6.011 -3.085 3.899 110 HG3 ARG 16 1HG ARG 16 6.464 -4.335 5.049 111 HD2 ARG 16 2HD ARG 16 8.490 -4.799 3.563 112 HD3 ARG 16 1HD ARG 16 8.079 -3.333 2.688 113 HE ARG 16 HE ARG 16 8.825 -2.086 4.495 114 HH11 ARG 16 1HH2 ARG 16 8.397 -5.415 5.330 115 HH12 ARG 16 2HH2 ARG 16 9.171 -5.269 6.872 116 HH21 ARG 16 1HH1 ARG 16 9.838 -1.885 6.500 117 HH22 ARG 16 2HH1 ARG 16 9.990 -3.264 7.535 118 H VAL 17 H VAL 17 7.100 -5.133 0.523 119 HA VAL 17 HA VAL 17 8.490 -2.701 0.325 120 HB VAL 17 HB VAL 17 9.674 -3.767 -1.558 121 HG11 VAL 17 1HG1 VAL 17 10.598 -4.644 0.401 122 HG12 VAL 17 2HG1 VAL 17 9.977 -6.144 -0.305 123 HG13 VAL 17 3HG1 VAL 17 9.065 -5.312 0.953 124 HG21 VAL 17 3HG2 VAL 17 7.300 -5.562 -1.393 125 HG22 VAL 17 1HG2 VAL 17 8.778 -6.131 -2.137 126 HG23 VAL 17 2HG2 VAL 17 7.920 -4.743 -2.808 127 H TRP 18 H TRP 18 5.963 -4.142 -1.764 128 HA TRP 18 HA TRP 18 6.083 -2.246 -3.839 129 HB2 TRP 18 2HB TRP 18 4.383 -3.520 -4.650 130 HB3 TRP 18 1HB TRP 18 4.447 -4.428 -3.153 131 HD1 TRP 18 HD TRP 18 2.429 -4.112 -1.433 132 HE1 TRP 18 1HE TRP 18 0.302 -2.739 -1.439 133 HE3 TRP 18 3HE TRP 18 3.233 -1.201 -5.571 134 HZ2 TRP 18 2HZ TRP 18 -0.913 -0.744 -2.913 135 HZ3 TRP 18 3HZ TRP 18 1.521 0.436 -6.224 136 HH2 TRP 18 HH TRP 18 -0.548 0.648 -4.882 137 H LEU 19 H LEU 19 4.060 -2.240 -0.907 138 HA LEU 19 HA LEU 19 2.680 0.141 -1.376 139 HB2 LEU 19 2HB LEU 19 3.257 -1.608 0.902 140 HB3 LEU 19 1HB LEU 19 3.033 0.063 1.384 141 HG LEU 19 HG LEU 19 0.996 -0.933 -0.549 142 HD11 LEU 19 1HD1 LEU 19 -0.236 -2.217 1.046 143 HD12 LEU 19 2HD1 LEU 19 1.008 -1.990 2.271 144 HD13 LEU 19 3HD1 LEU 19 1.341 -2.936 0.821 145 HD21 LEU 19 3HD2 LEU 19 -0.439 0.463 0.651 146 HD22 LEU 19 1HD2 LEU 19 1.102 1.292 0.783 147 HD23 LEU 19 2HD2 LEU 19 0.504 0.333 2.134 148 H VAL 20 H VAL 20 5.546 -0.223 0.789 149 HA VAL 20 HA VAL 20 5.880 2.534 1.103 150 HB VAL 20 HB VAL 20 6.892 0.802 2.540 151 HG11 VAL 20 1HG1 VAL 20 7.505 -0.630 0.487 152 HG12 VAL 20 2HG1 VAL 20 8.651 -0.593 1.820 153 HG13 VAL 20 3HG1 VAL 20 8.953 0.372 0.377 154 HG21 VAL 20 3HG2 VAL 20 9.126 1.864 2.746 155 HG22 VAL 20 1HG2 VAL 20 7.840 3.057 2.563 156 HG23 VAL 20 2HG2 VAL 20 8.879 2.656 1.198 157 H ASP 21 H ASP 21 7.515 0.265 -1.125 158 HA ASP 21 HA ASP 21 9.157 2.165 -2.357 159 HB2 ASP 21 2HB ASP 21 9.358 -0.311 -2.599 160 HB3 ASP 21 1HB ASP 21 7.941 -0.287 -3.646 161 H CYS 22 H CYS 22 5.842 1.218 -2.999 162 HA CYS 22 HA CYS 22 5.517 2.617 -5.434 163 HB2 CYS 22 2HB CYS 22 3.896 0.967 -4.853 164 HB3 CYS 22 1HB CYS 22 3.537 1.758 -3.319 165 HG CYS 22 HG CYS 22 2.444 2.587 -6.055 166 H VAL 23 H VAL 23 4.780 3.526 -2.070 167 HA VAL 23 HA VAL 23 3.771 6.089 -2.643 168 HB VAL 23 HB VAL 23 5.161 5.029 -0.184 169 HG11 VAL 23 1HG1 VAL 23 5.352 7.344 0.129 170 HG12 VAL 23 2HG1 VAL 23 3.770 7.029 0.833 171 HG13 VAL 23 3HG1 VAL 23 3.885 7.690 -0.788 172 HG21 VAL 23 3HG2 VAL 23 2.222 5.523 -0.726 173 HG22 VAL 23 1HG2 VAL 23 2.924 4.751 0.702 174 HG23 VAL 23 2HG2 VAL 23 2.999 3.948 -0.871 175 H ALA 24 H ALA 24 7.076 4.989 -1.844 176 HA ALA 24 HA ALA 24 8.362 7.437 -1.774 177 HB1 ALA 24 1HB ALA 24 9.244 4.997 -1.415 178 HB2 ALA 24 2HB ALA 24 10.351 6.242 -1.996 179 HB3 ALA 24 3HB ALA 24 9.648 5.085 -3.127 180 H GLY 25 H GLY 25 7.714 5.359 -4.578 181 HA2 GLY 25 2HA GLY 25 8.919 7.043 -6.497 182 HA3 GLY 25 1HA GLY 25 7.671 5.848 -6.842 183 H HIS 26 H HIS 26 5.566 6.878 -5.307 184 HA HIS 26 HA HIS 26 4.398 8.722 -7.038 185 HB2 HIS 26 2HB HIS 26 3.818 8.065 -4.149 186 HB3 HIS 26 1HB HIS 26 2.811 9.156 -5.099 187 HD1 HIS 26 1HD HIS 26 3.274 7.399 -7.785 188 HD2 HIS 26 2HD HIS 26 1.783 6.056 -4.132 189 HE1 HIS 26 1HE HIS 26 1.921 5.319 -8.286 190 HE2 HIS 26 2HE HIS 26 1.004 4.487 -6.068 191 H LEU 27 H LEU 27 5.828 9.375 -3.793 192 HA LEU 27 HA LEU 27 5.605 12.237 -4.241 193 HB2 LEU 27 2HB LEU 27 6.764 10.549 -2.021 194 HB3 LEU 27 1HB LEU 27 6.776 12.312 -1.993 195 HG LEU 27 HG LEU 27 4.254 10.667 -2.367 196 HD11 LEU 27 1HD1 LEU 27 5.006 10.064 -0.199 197 HD12 LEU 27 2HD1 LEU 27 3.830 11.353 0.073 198 HD13 LEU 27 3HD1 LEU 27 5.558 11.701 0.155 199 HD21 LEU 27 3HD2 LEU 27 3.729 12.840 -3.085 200 HD22 LEU 27 1HD2 LEU 27 4.849 13.596 -1.952 201 HD23 LEU 27 2HD2 LEU 27 3.318 12.937 -1.376 202 H GLY 28 H GLY 28 8.100 9.769 -4.271 203 HA2 GLY 28 2HA GLY 28 10.021 9.874 -5.661 204 HA3 GLY 28 1HA GLY 28 9.955 11.632 -5.597 205 H LEU 29 H LEU 29 9.340 10.770 -2.501 206 HA LEU 29 HA LEU 29 11.926 11.495 -1.576 207 HB2 LEU 29 2HB LEU 29 9.631 10.249 -0.068 208 HB3 LEU 29 1HB LEU 29 11.001 11.086 0.653 209 HG LEU 29 HG LEU 29 8.986 12.323 -1.248 210 HD11 LEU 29 1HD1 LEU 29 9.356 12.679 1.743 211 HD12 LEU 29 2HD1 LEU 29 8.028 11.812 0.974 212 HD13 LEU 29 3HD1 LEU 29 8.198 13.552 0.738 213 HD21 LEU 29 3HD2 LEU 29 10.949 13.580 -1.557 214 HD22 LEU 29 1HD2 LEU 29 11.478 13.344 0.110 215 HD23 LEU 29 2HD2 LEU 29 10.157 14.457 -0.251 216 H ASP 30 H ASP 30 12.695 9.976 0.407 217 HA ASP 30 HA ASP 30 13.724 7.606 -0.923 218 HB2 ASP 30 2HB ASP 30 14.220 8.810 1.799 219 HB3 ASP 30 1HB ASP 30 14.981 7.323 1.240 220 H ALA 31 H ALA 31 12.633 5.774 -0.949 221 HA ALA 31 HA ALA 31 10.392 5.127 0.604 222 HB1 ALA 31 1HB ALA 31 10.382 3.108 -0.518 223 HB2 ALA 31 2HB ALA 31 12.137 2.938 -0.453 224 HB3 ALA 31 3HB ALA 31 11.400 4.056 -1.596 225 H ALA 32 H ALA 32 13.798 4.776 1.256 226 HA ALA 32 HA ALA 32 13.839 2.791 3.165 227 HB1 ALA 32 1HB ALA 32 15.864 3.866 2.366 228 HB2 ALA 32 2HB ALA 32 15.774 3.999 4.122 229 HB3 ALA 32 3HB ALA 32 15.379 5.389 3.113 230 H THR 33 H THR 33 12.882 6.189 3.528 231 HA THR 33 HA THR 33 11.764 5.478 6.174 232 HB THR 33 HB THR 33 12.414 7.967 6.736 233 HG1 THR 33 1HG THR 33 13.339 8.654 4.931 234 HG21 THR 33 3HG2 THR 33 14.286 5.579 6.696 235 HG22 THR 33 1HG2 THR 33 13.312 6.159 8.049 236 HG23 THR 33 2HG2 THR 33 14.707 7.089 7.500 237 H ILE 34 H ILE 34 10.471 5.565 3.659 238 HA ILE 34 HA ILE 34 9.153 7.992 3.244 239 HB ILE 34 HB ILE 34 8.765 5.222 2.411 240 HG12 ILE 34 2HG1 ILE 34 9.567 7.100 1.032 241 HG13 ILE 34 1HG1 ILE 34 8.181 6.281 0.306 242 HG21 ILE 34 1HG2 ILE 34 6.357 5.556 1.672 243 HG22 ILE 34 2HG2 ILE 34 6.247 6.836 2.866 244 HG23 ILE 34 3HG2 ILE 34 6.565 5.173 3.366 245 HD11 ILE 34 3HD1 ILE 34 6.916 8.251 1.736 246 HD12 ILE 34 1HD1 ILE 34 7.427 8.443 0.065 247 HD13 ILE 34 2HD1 ILE 34 8.439 9.036 1.378 248 H ALA 35 H ALA 35 7.752 5.224 4.911 249 HA ALA 35 HA ALA 35 6.913 6.651 7.173 250 HB1 ALA 35 1HB ALA 35 4.885 6.362 4.946 251 HB2 ALA 35 2HB ALA 35 5.373 7.857 5.755 252 HB3 ALA 35 3HB ALA 35 4.436 6.644 6.624 253 H THR 36 H THR 36 7.846 3.938 5.963 254 HA THR 36 HA THR 36 6.214 1.862 6.060 255 HB THR 36 HB THR 36 7.950 0.570 7.183 256 HG1 THR 36 1HG THR 36 9.111 3.100 7.717 257 HG21 THR 36 3HG2 THR 36 9.817 1.153 5.725 258 HG22 THR 36 1HG2 THR 36 9.142 2.758 5.451 259 HG23 THR 36 2HG2 THR 36 8.303 1.331 4.839 260 H ASP 37 H ASP 37 7.257 3.584 9.029 261 HA ASP 37 HA ASP 37 5.196 2.104 10.544 262 HB2 ASP 37 2HB ASP 37 6.475 2.816 12.521 263 HB3 ASP 37 1HB ASP 37 7.468 1.891 11.397 264 H LEU 38 H LEU 38 4.771 4.480 8.761 265 HA LEU 38 HA LEU 38 3.401 6.138 10.765 266 HB2 LEU 38 2HB LEU 38 5.364 7.073 8.716 267 HB3 LEU 38 1HB LEU 38 4.068 8.145 9.186 268 HG LEU 38 HG LEU 38 5.751 6.775 11.288 269 HD11 LEU 38 1HD1 LEU 38 6.468 9.356 9.857 270 HD12 LEU 38 2HD1 LEU 38 7.339 7.829 9.721 271 HD13 LEU 38 3HD1 LEU 38 7.303 8.684 11.263 272 HD21 LEU 38 3HD2 LEU 38 3.863 7.943 12.154 273 HD22 LEU 38 1HD2 LEU 38 4.133 9.328 11.094 274 HD23 LEU 38 2HD2 LEU 38 5.235 9.007 12.432 275 HA PRO 39 HA PRO 39 0.036 5.840 7.912 276 HB2 PRO 39 2HB PRO 39 -1.340 8.139 8.518 277 HB3 PRO 39 1HB PRO 39 -1.312 6.716 9.577 278 HG2 PRO 39 2HG PRO 39 0.275 9.240 9.760 279 HG3 PRO 39 1HG PRO 39 -0.507 8.305 11.049 280 HD2 PRO 39 2HD PRO 39 2.168 8.132 10.547 281 HD3 PRO 39 1HD PRO 39 1.221 6.765 11.171 282 H LEU 40 H LEU 40 -1.188 7.307 6.284 283 HA LEU 40 HA LEU 40 0.732 8.374 4.427 284 HB2 LEU 40 2HB LEU 40 -1.107 8.600 2.915 285 HB3 LEU 40 1HB LEU 40 -1.351 7.090 3.787 286 HG LEU 40 HG LEU 40 -2.681 9.717 4.522 287 HD11 LEU 40 1HD1 LEU 40 -4.621 8.993 3.438 288 HD12 LEU 40 2HD1 LEU 40 -4.044 7.330 3.311 289 HD13 LEU 40 3HD1 LEU 40 -3.338 8.591 2.300 290 HD21 LEU 40 3HD2 LEU 40 -4.166 8.025 5.802 291 HD22 LEU 40 1HD2 LEU 40 -2.597 8.438 6.478 292 HD23 LEU 40 2HD2 LEU 40 -2.803 6.919 5.608 293 H THR 41 H THR 41 -1.346 9.650 6.874 294 HA THR 41 HA THR 41 -1.835 12.223 6.025 295 HB THR 41 HB THR 41 -1.817 12.855 8.431 296 HG1 THR 41 1HG THR 41 -1.036 10.171 8.842 297 HG21 THR 41 3HG2 THR 41 -3.641 11.424 9.067 298 HG22 THR 41 1HG2 THR 41 -3.086 10.144 7.991 299 HG23 THR 41 2HG2 THR 41 -3.739 11.637 7.319 300 H SER 42 H SER 42 1.170 10.831 7.248 301 HA SER 42 HA SER 42 2.655 13.034 7.861 302 HB2 SER 42 2HB SER 42 3.525 10.741 8.029 303 HB3 SER 42 1HB SER 42 3.521 10.604 6.270 304 HG SER 42 HG SER 42 4.929 12.614 7.689 305 H TYR 43 H TYR 43 1.603 11.977 4.667 306 HA TYR 43 HA TYR 43 3.335 13.781 3.221 307 HB2 TYR 43 2HB TYR 43 0.837 12.472 2.154 308 HB3 TYR 43 1HB TYR 43 2.298 12.910 1.282 309 HD1 TYR 43 1HD TYR 43 4.392 11.837 3.179 310 HD2 TYR 43 2HD TYR 43 0.695 10.143 1.781 311 HE1 TYR 43 1HE TYR 43 5.288 9.571 3.557 312 HE2 TYR 43 2HE TYR 43 1.606 7.873 2.166 313 HH TYR 43 HH TYR 43 4.619 7.141 2.402 314 H GLY 44 H GLY 44 0.469 14.126 4.947 315 HA2 GLY 44 2HA GLY 44 -0.966 15.893 5.222 316 HA3 GLY 44 1HA GLY 44 0.266 16.874 4.434 317 H LEU 45 H LEU 45 -0.932 14.147 2.710 318 HA LEU 45 HA LEU 45 -1.771 15.647 0.504 319 HB2 LEU 45 2HB LEU 45 -2.496 13.596 -0.412 320 HB3 LEU 45 1HB LEU 45 -1.114 13.199 0.592 321 HG LEU 45 HG LEU 45 -4.034 12.870 1.408 322 HD11 LEU 45 1HD1 LEU 45 -3.003 11.231 -0.287 323 HD12 LEU 45 2HD1 LEU 45 -3.741 10.552 1.157 324 HD13 LEU 45 3HD1 LEU 45 -1.985 10.684 1.047 325 HD21 LEU 45 3HD2 LEU 45 -2.890 11.604 3.333 326 HD22 LEU 45 1HD2 LEU 45 -2.810 13.353 3.390 327 HD23 LEU 45 2HD2 LEU 45 -1.411 12.432 2.842 328 H ASP 46 H ASP 46 -3.703 16.446 -0.162 329 HA ASP 46 HA ASP 46 -5.702 17.037 1.749 330 HB2 ASP 46 2HB ASP 46 -5.688 17.137 -1.267 331 HB3 ASP 46 1HB ASP 46 -7.051 17.691 -0.295 332 H SER 47 H SER 47 -8.119 16.496 1.153 333 HA SER 47 HA SER 47 -8.449 13.685 1.544 334 HB2 SER 47 2HB SER 47 -10.457 15.882 1.008 335 HB3 SER 47 1HB SER 47 -10.879 14.228 1.444 336 HG SER 47 HG SER 47 -9.424 14.619 3.309 337 H VAL 48 H VAL 48 -8.799 15.866 -1.191 338 HA VAL 48 HA VAL 48 -10.124 14.041 -2.926 339 HB VAL 48 HB VAL 48 -8.325 16.332 -3.743 340 HG11 VAL 48 1HG1 VAL 48 -9.813 16.396 -5.697 341 HG12 VAL 48 2HG1 VAL 48 -10.764 15.069 -5.032 342 HG13 VAL 48 3HG1 VAL 48 -9.097 14.792 -5.534 343 HG21 VAL 48 3HG2 VAL 48 -10.345 17.736 -3.618 344 HG22 VAL 48 1HG2 VAL 48 -9.971 17.060 -2.032 345 HG23 VAL 48 2HG2 VAL 48 -11.269 16.365 -3.002 346 H TYR 49 H TYR 49 -6.841 14.466 -1.956 347 HA TYR 49 HA TYR 49 -5.569 13.243 -4.169 348 HB2 TYR 49 2HB TYR 49 -4.710 14.454 -1.827 349 HB3 TYR 49 1HB TYR 49 -4.279 12.767 -1.551 350 HD1 TYR 49 1HD TYR 49 -4.238 15.187 -4.422 351 HD2 TYR 49 2HD TYR 49 -2.109 12.197 -2.201 352 HE1 TYR 49 1HE TYR 49 -2.288 15.450 -5.929 353 HE2 TYR 49 2HE TYR 49 -0.166 12.453 -3.693 354 HH TYR 49 HH TYR 49 0.666 14.584 -5.285 355 H ALA 50 H ALA 50 -6.621 11.909 -1.039 356 HA ALA 50 HA ALA 50 -5.767 9.318 -1.269 357 HB1 ALA 50 1HB ALA 50 -7.037 10.347 0.660 358 HB2 ALA 50 2HB ALA 50 -7.518 8.701 0.240 359 HB3 ALA 50 3HB ALA 50 -8.514 10.066 -0.263 360 H LEU 51 H LEU 51 -8.596 10.794 -2.762 361 HA LEU 51 HA LEU 51 -9.730 8.433 -3.805 362 HB2 LEU 51 2HB LEU 51 -10.995 10.475 -3.760 363 HB3 LEU 51 1HB LEU 51 -9.816 11.287 -4.786 364 HG LEU 51 HG LEU 51 -10.930 8.781 -5.949 365 HD11 LEU 51 1HD1 LEU 51 -12.690 11.218 -5.560 366 HD12 LEU 51 2HD1 LEU 51 -12.950 9.620 -4.862 367 HD13 LEU 51 3HD1 LEU 51 -13.067 9.848 -6.608 368 HD21 LEU 51 3HD2 LEU 51 -9.432 10.647 -7.020 369 HD22 LEU 51 1HD2 LEU 51 -10.943 11.536 -7.195 370 HD23 LEU 51 2HD2 LEU 51 -10.747 9.966 -7.979 371 H SER 52 H SER 52 -7.459 10.757 -5.276 372 HA SER 52 HA SER 52 -7.210 9.344 -7.729 373 HB2 SER 52 2HB SER 52 -6.622 11.786 -7.213 374 HB3 SER 52 1HB SER 52 -5.108 11.159 -6.552 375 HG SER 52 HG SER 52 -5.358 9.938 -8.809 376 H ILE 53 H ILE 53 -5.103 9.564 -4.874 377 HA ILE 53 HA ILE 53 -3.147 7.764 -5.836 378 HB ILE 53 HB ILE 53 -3.905 8.335 -2.970 379 HG12 ILE 53 2HG1 ILE 53 -3.533 10.425 -4.166 380 HG13 ILE 53 1HG1 ILE 53 -2.154 10.099 -3.117 381 HG21 ILE 53 1HG2 ILE 53 -2.156 7.010 -2.392 382 HG22 ILE 53 2HG2 ILE 53 -1.065 7.952 -3.405 383 HG23 ILE 53 3HG2 ILE 53 -1.927 6.582 -4.089 384 HD11 ILE 53 3HD1 ILE 53 -2.343 9.958 -6.101 385 HD12 ILE 53 1HD1 ILE 53 -1.146 8.972 -5.261 386 HD13 ILE 53 2HD1 ILE 53 -1.116 10.726 -5.095 387 H ALA 54 H ALA 54 -5.768 7.231 -3.471 388 HA ALA 54 HA ALA 54 -5.373 4.518 -3.079 389 HB1 ALA 54 1HB ALA 54 -7.675 4.396 -2.348 390 HB2 ALA 54 2HB ALA 54 -8.073 5.873 -3.221 391 HB3 ALA 54 3HB ALA 54 -7.001 5.935 -1.819 392 H ALA 55 H ALA 55 -7.156 6.174 -5.645 393 HA ALA 55 HA ALA 55 -8.256 3.857 -6.867 394 HB1 ALA 55 1HB ALA 55 -9.189 5.963 -7.459 395 HB2 ALA 55 2HB ALA 55 -8.381 5.363 -8.908 396 HB3 ALA 55 3HB ALA 55 -7.613 6.606 -7.921 397 H GLU 56 H GLU 56 -5.317 5.729 -7.598 398 HA GLU 56 HA GLU 56 -4.461 4.093 -9.747 399 HB2 GLU 56 2HB GLU 56 -2.934 5.899 -7.868 400 HB3 GLU 56 1HB GLU 56 -2.187 5.093 -9.248 401 HG2 GLU 56 2HG GLU 56 -3.799 6.180 -10.762 402 HG3 GLU 56 1HG GLU 56 -4.561 6.975 -9.388 403 H LEU 57 H LEU 57 -3.598 4.044 -6.304 404 HA LEU 57 HA LEU 57 -1.698 1.982 -6.363 405 HB2 LEU 57 2HB LEU 57 -3.706 2.729 -4.221 406 HB3 LEU 57 1HB LEU 57 -2.335 1.657 -3.966 407 HG LEU 57 HG LEU 57 -1.975 4.456 -5.043 408 HD11 LEU 57 1HD1 LEU 57 -2.233 3.485 -2.195 409 HD12 LEU 57 2HD1 LEU 57 -2.994 4.884 -2.948 410 HD13 LEU 57 3HD1 LEU 57 -1.267 4.907 -2.579 411 HD21 LEU 57 3HD2 LEU 57 0.300 4.149 -4.075 412 HD22 LEU 57 1HD2 LEU 57 -0.056 2.954 -5.308 413 HD23 LEU 57 2HD2 LEU 57 -0.144 2.511 -3.605 414 H GLU 58 H GLU 58 -5.083 1.631 -5.317 415 HA GLU 58 HA GLU 58 -5.066 -1.171 -5.340 416 HB2 GLU 58 2HB GLU 58 -7.483 -1.024 -5.373 417 HB3 GLU 58 1HB GLU 58 -6.805 0.157 -4.285 418 HG2 GLU 58 2HG GLU 58 -8.148 1.654 -5.412 419 HG3 GLU 58 1HG GLU 58 -6.880 1.612 -6.608 420 H ASP 59 H ASP 59 -5.691 1.110 -7.958 421 HA ASP 59 HA ASP 59 -6.795 -0.666 -9.844 422 HB2 ASP 59 2HB ASP 59 -5.258 1.911 -10.050 423 HB3 ASP 59 1HB ASP 59 -5.666 1.020 -11.508 424 H HIS 60 H HIS 60 -3.533 -0.172 -8.756 425 HA HIS 60 HA HIS 60 -2.300 -1.551 -10.982 426 HB2 HIS 60 2HB HIS 60 -1.383 -0.387 -8.401 427 HB3 HIS 60 1HB HIS 60 -0.393 -1.695 -9.042 428 HD1 HIS 60 1HD HIS 60 -2.244 1.106 -10.822 429 HD2 HIS 60 2HD HIS 60 1.624 -0.360 -10.350 430 HE1 HIS 60 1HE HIS 60 -0.768 2.498 -12.333 431 HE2 HIS 60 2HE HIS 60 1.600 1.615 -12.057 432 H LEU 61 H LEU 61 -3.519 -2.503 -7.817 433 HA LEU 61 HA LEU 61 -2.624 -5.278 -8.261 434 HB2 LEU 61 2HB LEU 61 -3.957 -4.141 -5.794 435 HB3 LEU 61 1HB LEU 61 -3.098 -5.660 -5.937 436 HG LEU 61 HG LEU 61 -1.604 -4.137 -4.869 437 HD11 LEU 61 1HD1 LEU 61 0.263 -4.184 -6.317 438 HD12 LEU 61 2HD1 LEU 61 -0.744 -4.007 -7.754 439 HD13 LEU 61 3HD1 LEU 61 -0.755 -5.525 -6.850 440 HD21 LEU 61 3HD2 LEU 61 -3.031 -2.150 -6.080 441 HD22 LEU 61 1HD2 LEU 61 -1.540 -2.098 -7.016 442 HD23 LEU 61 2HD2 LEU 61 -1.496 -1.905 -5.275 443 H ASP 62 H ASP 62 -4.947 -3.758 -9.605 444 HA ASP 62 HA ASP 62 -7.148 -4.134 -10.147 445 HB2 ASP 62 2HB ASP 62 -5.935 -6.873 -9.927 446 HB3 ASP 62 1HB ASP 62 -7.549 -6.590 -10.568 447 H VAL 63 H VAL 63 -7.503 -3.359 -7.760 448 HA VAL 63 HA VAL 63 -9.446 -5.198 -6.580 449 HB VAL 63 HB VAL 63 -8.364 -4.663 -4.263 450 HG11 VAL 63 1HG1 VAL 63 -6.954 -6.627 -4.408 451 HG12 VAL 63 2HG1 VAL 63 -6.932 -6.519 -6.165 452 HG13 VAL 63 3HG1 VAL 63 -8.432 -6.901 -5.329 453 HG21 VAL 63 3HG2 VAL 63 -6.101 -4.098 -6.192 454 HG22 VAL 63 1HG2 VAL 63 -5.825 -4.541 -4.508 455 HG23 VAL 63 2HG2 VAL 63 -6.697 -3.066 -4.897 456 H SER 64 H SER 64 -10.798 -4.126 -4.965 457 HA SER 64 HA SER 64 -10.793 -1.167 -5.220 458 HB2 SER 64 2HB SER 64 -13.256 -1.290 -5.097 459 HB3 SER 64 1HB SER 64 -12.641 -2.160 -6.501 460 HG SER 64 HG SER 64 -13.917 -3.082 -4.239 461 H LEU 65 H LEU 65 -11.291 -0.014 -3.376 462 HA LEU 65 HA LEU 65 -11.459 -1.550 -0.841 463 HB2 LEU 65 2HB LEU 65 -10.203 1.154 -0.739 464 HB3 LEU 65 1HB LEU 65 -9.750 -0.332 0.098 465 HG LEU 65 HG LEU 65 -8.978 -1.178 -2.200 466 HD11 LEU 65 1HD1 LEU 65 -8.353 1.504 -3.165 467 HD12 LEU 65 2HD1 LEU 65 -10.095 1.283 -3.052 468 HD13 LEU 65 3HD1 LEU 65 -9.137 0.158 -4.005 469 HD21 LEU 65 3HD2 LEU 65 -6.827 0.233 -1.990 470 HD22 LEU 65 1HD2 LEU 65 -7.324 -0.690 -0.573 471 HD23 LEU 65 2HD2 LEU 65 -7.636 1.046 -0.651 472 H ASP 66 H ASP 66 -12.249 -0.105 0.978 473 HA ASP 66 HA ASP 66 -14.660 1.270 0.023 474 HB2 ASP 66 2HB ASP 66 -13.949 -0.378 2.328 475 HB3 ASP 66 1HB ASP 66 -14.751 1.106 2.837 476 HA PRO 67 HA PRO 67 -13.310 5.304 1.031 477 HB2 PRO 67 2HB PRO 67 -15.538 6.369 2.285 478 HB3 PRO 67 1HB PRO 67 -15.411 6.123 0.534 479 HG2 PRO 67 2HG PRO 67 -16.747 4.413 2.590 480 HG3 PRO 67 1HG PRO 67 -17.301 4.860 0.964 481 HD2 PRO 67 2HD PRO 67 -16.199 2.435 1.475 482 HD3 PRO 67 1HD PRO 67 -15.951 3.269 -0.077 483 H THR 68 H THR 68 -15.402 4.558 3.814 484 HA THR 68 HA THR 68 -13.741 5.813 5.709 485 HB THR 68 HB THR 68 -15.125 4.590 7.388 486 HG1 THR 68 1HG THR 68 -15.720 2.722 6.590 487 HG21 THR 68 3HG2 THR 68 -16.497 5.946 5.057 488 HG22 THR 68 1HG2 THR 68 -15.994 6.672 6.585 489 HG23 THR 68 2HG2 THR 68 -17.335 5.526 6.550 490 H LEU 69 H LEU 69 -13.502 2.803 4.163 491 HA LEU 69 HA LEU 69 -12.072 1.378 6.193 492 HB2 LEU 69 2HB LEU 69 -13.228 0.196 4.424 493 HB3 LEU 69 1HB LEU 69 -12.203 0.940 3.202 494 HG LEU 69 HG LEU 69 -11.028 -0.634 5.502 495 HD11 LEU 69 1HD1 LEU 69 -11.023 -2.623 4.038 496 HD12 LEU 69 2HD1 LEU 69 -11.986 -1.738 2.853 497 HD13 LEU 69 3HD1 LEU 69 -12.652 -2.091 4.446 498 HD21 LEU 69 3HD2 LEU 69 -9.466 -1.048 3.212 499 HD22 LEU 69 1HD2 LEU 69 -9.115 0.102 4.506 500 HD23 LEU 69 2HD2 LEU 69 -9.964 0.634 3.053 501 H ILE 70 H ILE 70 -11.104 3.363 3.420 502 HA ILE 70 HA ILE 70 -8.361 2.868 3.482 503 HB ILE 70 HB ILE 70 -9.912 5.361 2.759 504 HG12 ILE 70 2HG1 ILE 70 -8.444 3.506 0.880 505 HG13 ILE 70 1HG1 ILE 70 -10.046 3.076 1.456 506 HG21 ILE 70 1HG2 ILE 70 -7.725 5.901 1.494 507 HG22 ILE 70 2HG2 ILE 70 -6.960 4.741 2.580 508 HG23 ILE 70 3HG2 ILE 70 -7.736 6.185 3.234 509 HD11 ILE 70 3HD1 ILE 70 -10.912 5.253 0.630 510 HD12 ILE 70 1HD1 ILE 70 -10.223 4.282 -0.670 511 HD13 ILE 70 2HD1 ILE 70 -9.304 5.632 0.001 512 H TRP 71 H TRP 71 -10.319 5.068 5.423 513 HA TRP 71 HA TRP 71 -8.058 6.259 6.737 514 HB2 TRP 71 2HB TRP 71 -11.024 6.272 7.319 515 HB3 TRP 71 1HB TRP 71 -9.847 7.129 8.314 516 HD1 TRP 71 HD TRP 71 -11.929 7.546 5.310 517 HE1 TRP 71 1HE TRP 71 -11.225 9.648 3.992 518 HE3 TRP 71 3HE TRP 71 -7.472 8.562 7.585 519 HZ2 TRP 71 2HZ TRP 71 -9.048 11.511 3.910 520 HZ3 TRP 71 3HZ TRP 71 -6.106 10.501 6.869 521 HH2 TRP 71 HH TRP 71 -6.889 11.976 5.037 522 H ASP 72 H ASP 72 -9.443 3.225 6.927 523 HA ASP 72 HA ASP 72 -9.008 2.855 9.800 524 HB2 ASP 72 2HB ASP 72 -9.859 0.815 7.726 525 HB3 ASP 72 1HB ASP 72 -9.907 0.632 9.480 526 H HIS 73 H HIS 73 -7.579 2.022 6.713 527 HA HIS 73 HA HIS 73 -5.271 0.797 8.125 528 HB2 HIS 73 2HB HIS 73 -6.043 0.274 5.251 529 HB3 HIS 73 1HB HIS 73 -4.935 -0.650 6.274 530 HD1 HIS 73 1HD HIS 73 -6.885 -0.639 8.810 531 HD2 HIS 73 2HD HIS 73 -7.900 -1.818 4.945 532 HE1 HIS 73 1HE HIS 73 -8.892 -2.170 9.029 533 HE2 HIS 73 2HE HIS 73 -9.515 -2.903 6.680 534 HA PRO 74 HA PRO 74 -3.988 4.655 5.673 535 HB2 PRO 74 2HB PRO 74 -3.239 6.221 7.796 536 HB3 PRO 74 1HB PRO 74 -4.894 6.188 7.155 537 HG2 PRO 74 2HG PRO 74 -3.768 4.768 9.531 538 HG3 PRO 74 1HG PRO 74 -5.309 5.630 9.363 539 HD2 PRO 74 2HD PRO 74 -5.148 2.906 9.192 540 HD3 PRO 74 1HD PRO 74 -6.331 3.869 8.273 541 H THR 75 H THR 75 -2.733 2.334 7.690 542 HA THR 75 HA THR 75 0.063 3.283 7.413 543 HB THR 75 HB THR 75 0.367 1.207 9.064 544 HG1 THR 75 1HG THR 75 -1.497 0.427 9.574 545 HG21 THR 75 3HG2 THR 75 -0.656 3.971 9.757 546 HG22 THR 75 1HG2 THR 75 1.014 3.390 9.778 547 HG23 THR 75 2HG2 THR 75 -0.136 2.820 10.990 548 H ILE 76 H ILE 76 1.639 1.937 6.623 549 HA ILE 76 HA ILE 76 0.894 0.328 4.414 550 HB ILE 76 HB ILE 76 3.540 0.668 5.843 551 HG12 ILE 76 2HG1 ILE 76 2.655 1.610 3.102 552 HG13 ILE 76 1HG1 ILE 76 2.446 2.588 4.552 553 HG21 ILE 76 1HG2 ILE 76 2.781 -0.984 3.427 554 HG22 ILE 76 2HG2 ILE 76 3.751 -1.462 4.817 555 HG23 ILE 76 3HG2 ILE 76 4.415 -0.349 3.621 556 HD11 ILE 76 3HD1 ILE 76 5.163 1.443 4.024 557 HD12 ILE 76 1HD1 ILE 76 4.701 2.968 4.793 558 HD13 ILE 76 2HD1 ILE 76 4.627 2.805 3.044 559 H ASP 77 H ASP 77 2.065 -0.458 7.661 560 HA ASP 77 HA ASP 77 2.318 -3.204 7.411 561 HB2 ASP 77 2HB ASP 77 3.002 -2.026 9.427 562 HB3 ASP 77 1HB ASP 77 1.328 -1.599 9.778 563 H ALA 78 H ALA 78 -0.593 -1.321 8.243 564 HA ALA 78 HA ALA 78 -2.295 -3.586 8.475 565 HB1 ALA 78 1HB ALA 78 -4.124 -1.853 8.264 566 HB2 ALA 78 2HB ALA 78 -2.866 -0.643 8.016 567 HB3 ALA 78 3HB ALA 78 -2.951 -1.527 9.539 568 H LEU 79 H LEU 79 -1.706 -1.238 5.872 569 HA LEU 79 HA LEU 79 -3.607 -2.241 4.088 570 HB2 LEU 79 2HB LEU 79 -1.949 -0.133 4.022 571 HB3 LEU 79 1HB LEU 79 -1.036 -1.202 2.981 572 HG LEU 79 HG LEU 79 -2.480 0.067 1.559 573 HD11 LEU 79 1HD1 LEU 79 -3.596 -1.623 0.363 574 HD12 LEU 79 2HD1 LEU 79 -4.017 -2.516 1.827 575 HD13 LEU 79 3HD1 LEU 79 -2.366 -2.509 1.244 576 HD21 LEU 79 3HD2 LEU 79 -5.038 -0.854 2.830 577 HD22 LEU 79 1HD2 LEU 79 -4.661 0.682 2.054 578 HD23 LEU 79 2HD2 LEU 79 -4.141 0.381 3.709 579 H SER 80 H SER 80 -0.187 -3.090 4.530 580 HA SER 80 HA SER 80 0.010 -4.914 2.403 581 HB2 SER 80 2HB SER 80 1.963 -4.017 3.621 582 HB3 SER 80 1HB SER 80 1.478 -4.920 5.052 583 HG SER 80 HG SER 80 1.958 -6.785 4.051 584 H THR 81 H THR 81 -0.815 -5.366 5.822 585 HA THR 81 HA THR 81 -1.069 -8.144 5.863 586 HB THR 81 HB THR 81 -2.714 -6.091 7.358 587 HG1 THR 81 1HG THR 81 -0.163 -6.769 7.465 588 HG21 THR 81 3HG2 THR 81 -2.940 -8.017 9.000 589 HG22 THR 81 1HG2 THR 81 -2.326 -9.069 7.725 590 HG23 THR 81 2HG2 THR 81 -3.845 -8.201 7.496 591 H ALA 82 H ALA 82 -3.418 -5.675 4.934 592 HA ALA 82 HA ALA 82 -5.567 -7.482 4.444 593 HB1 ALA 82 1HB ALA 82 -5.959 -5.092 4.797 594 HB2 ALA 82 2HB ALA 82 -6.585 -5.591 3.226 595 HB3 ALA 82 3HB ALA 82 -5.059 -4.716 3.327 596 H LEU 83 H LEU 83 -2.981 -6.137 2.368 597 HA LEU 83 HA LEU 83 -4.012 -7.036 -0.072 598 HB2 LEU 83 2HB LEU 83 -1.947 -5.453 0.603 599 HB3 LEU 83 1HB LEU 83 -1.042 -6.944 0.355 600 HG LEU 83 HG LEU 83 -2.887 -5.614 -1.639 601 HD11 LEU 83 1HD1 LEU 83 -0.506 -4.695 -1.130 602 HD12 LEU 83 2HD1 LEU 83 -0.946 -4.998 -2.810 603 HD13 LEU 83 3HD1 LEU 83 0.056 -6.151 -1.943 604 HD21 LEU 83 3HD2 LEU 83 -1.419 -8.253 -1.613 605 HD22 LEU 83 1HD2 LEU 83 -1.844 -7.455 -3.128 606 HD23 LEU 83 2HD2 LEU 83 -3.113 -7.935 -2.002 607 H VAL 84 H VAL 84 -1.561 -8.523 2.076 608 HA VAL 84 HA VAL 84 -1.235 -10.868 0.561 609 HB VAL 84 HB VAL 84 0.340 -10.183 2.319 610 HG11 VAL 84 1HG1 VAL 84 -1.905 -10.919 4.217 611 HG12 VAL 84 2HG1 VAL 84 -1.301 -9.299 3.895 612 HG13 VAL 84 3HG1 VAL 84 -0.263 -10.480 4.683 613 HG21 VAL 84 3HG2 VAL 84 0.346 -12.533 1.687 614 HG22 VAL 84 1HG2 VAL 84 -0.995 -12.874 2.783 615 HG23 VAL 84 2HG2 VAL 84 0.563 -12.416 3.429 616 H ALA 85 H ALA 85 -3.635 -9.879 2.932 617 HA ALA 85 HA ALA 85 -4.695 -12.409 3.553 618 HB1 ALA 85 1HB ALA 85 -6.281 -9.861 3.309 619 HB2 ALA 85 2HB ALA 85 -5.201 -10.187 4.665 620 HB3 ALA 85 3HB ALA 85 -6.593 -11.233 4.374 621 H GLU 86 H GLU 86 -5.310 -10.180 0.896 622 HA GLU 86 HA GLU 86 -7.585 -11.270 -0.233 623 HB2 GLU 86 2HB GLU 86 -7.024 -10.105 -2.173 624 HB3 GLU 86 1HB GLU 86 -6.042 -9.267 -0.973 625 HG2 GLU 86 2HG GLU 86 -4.436 -9.650 -2.585 626 HG3 GLU 86 1HG GLU 86 -4.243 -11.111 -1.634 627 H LEU 87 H LEU 87 -4.526 -12.717 0.122 628 HA LEU 87 HA LEU 87 -5.019 -14.786 -1.920 629 HB2 LEU 87 2HB LEU 87 -2.570 -13.862 -0.439 630 HB3 LEU 87 1HB LEU 87 -2.600 -15.469 -1.160 631 HG LEU 87 HG LEU 87 -3.427 -13.090 -2.816 632 HD11 LEU 87 1HD1 LEU 87 -0.575 -14.008 -2.373 633 HD12 LEU 87 2HD1 LEU 87 -1.258 -12.482 -1.810 634 HD13 LEU 87 3HD1 LEU 87 -1.103 -12.793 -3.538 635 HD21 LEU 87 3HD2 LEU 87 -2.081 -15.748 -3.415 636 HD22 LEU 87 1HD2 LEU 87 -2.460 -14.522 -4.628 637 HD23 LEU 87 2HD2 LEU 87 -3.758 -15.334 -3.757 638 H ARG 88 H ARG 88 -5.340 -14.237 1.393 639 HA ARG 88 HA ARG 88 -5.133 -17.086 2.082 640 HB2 ARG 88 2HB ARG 88 -5.643 -14.661 3.815 641 HB3 ARG 88 1HB ARG 88 -5.376 -16.303 4.392 642 HG2 ARG 88 2HG ARG 88 -3.324 -14.988 2.609 643 HG3 ARG 88 1HG ARG 88 -3.357 -14.619 4.329 644 HD2 ARG 88 2HD ARG 88 -3.219 -17.445 3.241 645 HD3 ARG 88 1HD ARG 88 -1.804 -16.507 3.697 646 HE ARG 88 HE ARG 88 -3.495 -16.405 5.881 647 HH11 ARG 88 1HH2 ARG 88 -1.951 -18.818 3.948 648 HH12 ARG 88 2HH2 ARG 88 -1.787 -19.951 5.248 649 HH21 ARG 88 1HH1 ARG 88 -3.289 -17.881 7.591 650 HH22 ARG 88 2HH1 ARG 88 -2.545 -19.420 7.313 651 H SER 89 H SER 89 -7.416 -14.959 0.921 652 HA SER 89 HA SER 89 -9.557 -16.808 1.515 653 HB2 SER 89 2HB SER 89 -9.626 -13.998 2.632 654 HB3 SER 89 1HB SER 89 -11.013 -15.080 2.557 655 HG SER 89 HG SER 89 -10.013 -16.449 3.966 656 H ALA 90 H ALA 90 -11.507 -16.315 0.323 657 HA ALA 90 HA ALA 90 -11.021 -15.414 -2.297 658 HB1 ALA 90 1HB ALA 90 -13.594 -15.838 -0.768 659 HB2 ALA 90 2HB ALA 90 -12.825 -16.941 -1.908 660 HB3 ALA 90 3HB ALA 90 -13.542 -15.437 -2.483 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -5.220 -9.731 -13.131 2 H2 GLY 1 2HT GLY 1 -4.278 -11.090 -12.748 3 H3 GLY 1 3HT GLY 1 -5.627 -10.694 -11.797 4 HA2 GLY 1 2HA GLY 1 -5.855 -11.365 -14.672 5 HA3 GLY 1 1HA GLY 1 -5.943 -12.588 -13.402 6 H HIS 2 H HIS 2 -8.121 -13.076 -13.819 7 HA HIS 2 HA HIS 2 -10.210 -11.202 -14.029 8 HB2 HIS 2 2HB HIS 2 -10.455 -13.563 -14.675 9 HB3 HIS 2 1HB HIS 2 -10.307 -14.043 -12.984 10 HD1 HIS 2 1HD HIS 2 -12.300 -13.504 -11.402 11 HD2 HIS 2 2HD HIS 2 -12.954 -12.388 -15.365 12 HE1 HIS 2 1HE HIS 2 -14.770 -12.976 -11.600 13 HE2 HIS 2 2HE HIS 2 -15.184 -12.295 -14.010 14 H MET 3 H MET 3 -8.960 -12.988 -11.217 15 HA MET 3 HA MET 3 -9.524 -10.854 -9.423 16 HB2 MET 3 2HB MET 3 -11.847 -11.700 -9.814 17 HB3 MET 3 1HB MET 3 -11.345 -13.260 -9.166 18 HG2 MET 3 2HG MET 3 -10.914 -10.732 -7.573 19 HG3 MET 3 1HG MET 3 -12.470 -11.559 -7.547 20 HE1 MET 3 3HE MET 3 -13.021 -13.319 -5.869 21 HE2 MET 3 1HE MET 3 -12.028 -14.782 -5.806 22 HE3 MET 3 2HE MET 3 -12.598 -14.165 -7.355 23 H SER 4 H SER 4 -7.936 -11.029 -7.980 24 HA SER 4 HA SER 4 -6.255 -11.937 -6.696 25 HB2 SER 4 2HB SER 4 -8.273 -12.581 -5.382 26 HB3 SER 4 1HB SER 4 -8.319 -14.111 -6.254 27 HG SER 4 HG SER 4 -7.004 -14.728 -4.728 28 H ASP 5 H ASP 5 -5.010 -14.102 -6.282 29 HA ASP 5 HA ASP 5 -3.838 -15.893 -7.055 30 HB2 ASP 5 2HB ASP 5 -5.537 -16.010 -9.522 31 HB3 ASP 5 1HB ASP 5 -4.777 -17.314 -8.624 32 H LEU 6 H LEU 6 -2.517 -13.716 -7.352 33 HA LEU 6 HA LEU 6 -2.020 -12.858 -10.028 34 HB2 LEU 6 2HB LEU 6 -0.680 -12.487 -7.381 35 HB3 LEU 6 1HB LEU 6 0.099 -11.900 -8.839 36 HG LEU 6 HG LEU 6 -2.776 -11.199 -8.239 37 HD11 LEU 6 1HD1 LEU 6 -1.616 -10.535 -6.223 38 HD12 LEU 6 2HD1 LEU 6 -1.853 -9.080 -7.191 39 HD13 LEU 6 3HD1 LEU 6 -0.272 -9.866 -7.144 40 HD21 LEU 6 3HD2 LEU 6 -0.518 -9.975 -9.860 41 HD22 LEU 6 1HD2 LEU 6 -2.016 -9.111 -9.511 42 HD23 LEU 6 2HD2 LEU 6 -2.056 -10.599 -10.454 43 H SER 7 H SER 7 0.633 -12.817 -10.371 44 HA SER 7 HA SER 7 1.299 -15.634 -10.871 45 HB2 SER 7 2HB SER 7 2.120 -13.038 -12.124 46 HB3 SER 7 1HB SER 7 3.136 -14.469 -12.309 47 HG SER 7 HG SER 7 1.118 -13.910 -13.768 48 H THR 8 H THR 8 3.858 -15.901 -10.905 49 HA THR 8 HA THR 8 5.620 -16.309 -9.532 50 HB THR 8 HB THR 8 5.403 -13.456 -8.611 51 HG1 THR 8 1HG THR 8 6.314 -14.333 -11.152 52 HG21 THR 8 3HG2 THR 8 7.724 -15.194 -9.504 53 HG22 THR 8 1HG2 THR 8 7.285 -14.864 -7.828 54 HG23 THR 8 2HG2 THR 8 7.848 -13.555 -8.865 55 H ALA 9 H ALA 9 2.657 -15.576 -8.243 56 HA ALA 9 HA ALA 9 1.665 -15.947 -6.239 57 HB1 ALA 9 1HB ALA 9 4.227 -17.233 -5.377 58 HB2 ALA 9 2HB ALA 9 3.084 -18.013 -6.469 59 HB3 ALA 9 3HB ALA 9 2.587 -17.579 -4.832 60 HA PRO 10 HA PRO 10 3.550 -12.038 -4.687 61 HB2 PRO 10 2HB PRO 10 0.939 -12.108 -3.209 62 HB3 PRO 10 1HB PRO 10 1.697 -10.763 -4.086 63 HG2 PRO 10 2HG PRO 10 -0.344 -12.110 -5.113 64 HG3 PRO 10 1HG PRO 10 0.985 -11.511 -6.125 65 HD2 PRO 10 2HD PRO 10 0.390 -14.309 -5.269 66 HD3 PRO 10 1HD PRO 10 1.173 -13.725 -6.755 67 H THR 11 H THR 11 4.741 -11.735 -2.900 68 HA THR 11 HA THR 11 4.353 -13.590 -0.606 69 HB THR 11 HB THR 11 6.968 -12.383 -1.540 70 HG1 THR 11 1HG THR 11 7.208 -14.096 -2.732 71 HG21 THR 11 3HG2 THR 11 6.183 -14.354 0.608 72 HG22 THR 11 1HG2 THR 11 7.111 -12.864 0.779 73 HG23 THR 11 2HG2 THR 11 7.828 -14.264 -0.019 74 H LEU 12 H LEU 12 4.818 -12.782 1.471 75 HA LEU 12 HA LEU 12 3.721 -10.333 2.100 76 HB2 LEU 12 2HB LEU 12 5.698 -12.089 3.548 77 HB3 LEU 12 1HB LEU 12 5.171 -10.564 4.255 78 HG LEU 12 HG LEU 12 2.794 -11.328 3.963 79 HD11 LEU 12 1HD1 LEU 12 2.963 -12.970 2.242 80 HD12 LEU 12 2HD1 LEU 12 2.584 -13.879 3.705 81 HD13 LEU 12 3HD1 LEU 12 4.236 -13.842 3.091 82 HD21 LEU 12 3HD2 LEU 12 2.836 -12.832 5.891 83 HD22 LEU 12 1HD2 LEU 12 4.051 -11.571 6.112 84 HD23 LEU 12 2HD2 LEU 12 4.540 -13.190 5.609 85 H ASP 13 H ASP 13 7.117 -11.113 1.486 86 HA ASP 13 HA ASP 13 8.083 -8.494 2.070 87 HB2 ASP 13 2HB ASP 13 9.449 -10.405 0.198 88 HB3 ASP 13 1HB ASP 13 10.163 -9.226 1.292 89 H SER 14 H SER 14 6.925 -10.120 -0.866 90 HA SER 14 HA SER 14 7.782 -8.125 -2.690 91 HB2 SER 14 2HB SER 14 6.364 -9.204 -4.261 92 HB3 SER 14 1HB SER 14 7.097 -10.462 -3.271 93 HG SER 14 HG SER 14 4.580 -10.182 -3.694 94 H LEU 15 H LEU 15 4.780 -8.616 -0.847 95 HA LEU 15 HA LEU 15 3.451 -6.398 -2.039 96 HB2 LEU 15 2HB LEU 15 2.907 -7.713 0.629 97 HB3 LEU 15 1HB LEU 15 1.791 -6.722 -0.286 98 HG LEU 15 HG LEU 15 2.984 -9.308 -1.290 99 HD11 LEU 15 1HD1 LEU 15 0.353 -8.667 0.036 100 HD12 LEU 15 2HD1 LEU 15 1.546 -9.868 0.524 101 HD13 LEU 15 3HD1 LEU 15 0.593 -10.118 -0.940 102 HD21 LEU 15 3HD2 LEU 15 2.370 -8.057 -3.189 103 HD22 LEU 15 1HD2 LEU 15 0.981 -7.335 -2.376 104 HD23 LEU 15 2HD2 LEU 15 0.936 -9.027 -2.874 105 H ARG 16 H ARG 16 4.482 -6.812 1.319 106 HA ARG 16 HA ARG 16 4.332 -4.328 2.316 107 HB2 ARG 16 2HB ARG 16 5.316 -6.119 3.602 108 HB3 ARG 16 1HB ARG 16 6.735 -6.135 2.560 109 HG2 ARG 16 2HG ARG 16 6.121 -3.479 3.763 110 HG3 ARG 16 1HG ARG 16 6.579 -4.720 4.923 111 HD2 ARG 16 2HD ARG 16 8.615 -5.190 3.541 112 HD3 ARG 16 1HD ARG 16 8.180 -3.850 2.496 113 HE ARG 16 HE ARG 16 8.280 -3.016 5.218 114 HH11 ARG 16 1HH2 ARG 16 10.178 -3.881 2.460 115 HH12 ARG 16 2HH2 ARG 16 11.532 -2.899 2.910 116 HH21 ARG 16 1HH1 ARG 16 10.043 -1.725 5.816 117 HH22 ARG 16 2HH1 ARG 16 11.455 -1.677 4.813 118 H VAL 17 H VAL 17 7.155 -5.387 0.372 119 HA VAL 17 HA VAL 17 8.437 -2.876 0.277 120 HB VAL 17 HB VAL 17 9.712 -3.818 -1.592 121 HG11 VAL 17 1HG1 VAL 17 10.605 -4.704 0.375 122 HG12 VAL 17 2HG1 VAL 17 10.126 -6.208 -0.425 123 HG13 VAL 17 3HG1 VAL 17 9.105 -5.504 0.830 124 HG21 VAL 17 3HG2 VAL 17 7.440 -5.753 -1.569 125 HG22 VAL 17 1HG2 VAL 17 8.971 -6.197 -2.295 126 HG23 VAL 17 2HG2 VAL 17 8.045 -4.834 -2.930 127 H TRP 18 H TRP 18 5.900 -4.334 -1.741 128 HA TRP 18 HA TRP 18 5.968 -2.442 -3.836 129 HB2 TRP 18 2HB TRP 18 4.287 -3.744 -4.639 130 HB3 TRP 18 1HB TRP 18 4.430 -4.690 -3.168 131 HD1 TRP 18 HD TRP 18 2.481 -4.464 -1.368 132 HE1 TRP 18 1HE TRP 18 0.294 -3.207 -1.280 133 HE3 TRP 18 3HE TRP 18 3.013 -1.514 -5.502 134 HZ2 TRP 18 2HZ TRP 18 -1.089 -1.259 -2.721 135 HZ3 TRP 18 3HZ TRP 18 1.190 0.037 -6.112 136 HH2 TRP 18 HH TRP 18 -0.864 0.146 -4.709 137 H LEU 19 H LEU 19 3.952 -2.547 -0.896 138 HA LEU 19 HA LEU 19 2.488 -0.213 -1.320 139 HB2 LEU 19 2HB LEU 19 3.144 -1.968 0.925 140 HB3 LEU 19 1HB LEU 19 2.916 -0.308 1.444 141 HG LEU 19 HG LEU 19 0.854 -1.310 -0.462 142 HD11 LEU 19 1HD1 LEU 19 0.962 -2.362 2.362 143 HD12 LEU 19 2HD1 LEU 19 1.230 -3.310 0.899 144 HD13 LEU 19 3HD1 LEU 19 -0.343 -2.587 1.196 145 HD21 LEU 19 3HD2 LEU 19 0.993 0.922 0.878 146 HD22 LEU 19 1HD2 LEU 19 0.408 -0.041 2.231 147 HD23 LEU 19 2HD2 LEU 19 -0.553 0.098 0.758 148 H VAL 20 H VAL 20 5.430 -0.512 0.710 149 HA VAL 20 HA VAL 20 5.714 2.236 1.142 150 HB VAL 20 HB VAL 20 6.931 0.602 2.465 151 HG11 VAL 20 1HG1 VAL 20 8.528 -0.896 1.579 152 HG12 VAL 20 2HG1 VAL 20 8.660 -0.005 0.064 153 HG13 VAL 20 3HG1 VAL 20 7.213 -0.944 0.413 154 HG21 VAL 20 3HG2 VAL 20 8.989 2.080 0.824 155 HG22 VAL 20 1HG2 VAL 20 9.041 1.697 2.543 156 HG23 VAL 20 2HG2 VAL 20 7.916 2.917 1.944 157 H ASP 21 H ASP 21 7.223 0.141 -1.322 158 HA ASP 21 HA ASP 21 8.714 2.143 -2.586 159 HB2 ASP 21 2HB ASP 21 8.998 -0.272 -3.023 160 HB3 ASP 21 1HB ASP 21 7.430 -0.305 -3.824 161 H CYS 22 H CYS 22 5.347 1.187 -2.960 162 HA CYS 22 HA CYS 22 4.732 2.591 -5.308 163 HB2 CYS 22 2HB CYS 22 3.242 0.955 -4.052 164 HB3 CYS 22 1HB CYS 22 2.863 2.279 -2.953 165 HG CYS 22 HG CYS 22 1.937 3.603 -5.078 166 H VAL 23 H VAL 23 4.425 3.635 -1.897 167 HA VAL 23 HA VAL 23 3.546 6.256 -2.496 168 HB VAL 23 HB VAL 23 5.163 5.378 -0.119 169 HG11 VAL 23 1HG1 VAL 23 4.325 7.255 1.009 170 HG12 VAL 23 2HG1 VAL 23 2.989 7.464 -0.122 171 HG13 VAL 23 3HG1 VAL 23 4.624 7.900 -0.599 172 HG21 VAL 23 3HG2 VAL 23 2.184 5.216 -0.616 173 HG22 VAL 23 1HG2 VAL 23 2.949 4.977 0.961 174 HG23 VAL 23 2HG2 VAL 23 3.288 3.865 -0.370 175 H ALA 24 H ALA 24 6.828 5.024 -1.731 176 HA ALA 24 HA ALA 24 8.266 7.358 -1.808 177 HB1 ALA 24 1HB ALA 24 10.174 6.054 -2.198 178 HB2 ALA 24 2HB ALA 24 9.293 4.889 -3.188 179 HB3 ALA 24 3HB ALA 24 9.054 4.921 -1.441 180 H GLY 25 H GLY 25 7.534 5.278 -4.604 181 HA2 GLY 25 2HA GLY 25 8.698 6.957 -6.544 182 HA3 GLY 25 1HA GLY 25 7.459 5.745 -6.863 183 H HIS 26 H HIS 26 5.361 6.769 -5.322 184 HA HIS 26 HA HIS 26 4.170 8.584 -7.078 185 HB2 HIS 26 2HB HIS 26 3.590 7.879 -4.203 186 HB3 HIS 26 1HB HIS 26 2.588 9.014 -5.106 187 HD1 HIS 26 1HD HIS 26 2.292 7.773 -7.788 188 HD2 HIS 26 2HD HIS 26 2.256 5.475 -4.314 189 HE1 HIS 26 1HE HIS 26 1.103 5.616 -8.371 190 HE2 HIS 26 2HE HIS 26 1.067 4.207 -6.263 191 H LEU 27 H LEU 27 5.611 9.257 -3.847 192 HA LEU 27 HA LEU 27 5.331 12.117 -4.279 193 HB2 LEU 27 2HB LEU 27 6.701 10.562 -2.072 194 HB3 LEU 27 1HB LEU 27 6.341 12.290 -2.048 195 HG LEU 27 HG LEU 27 4.280 10.069 -2.267 196 HD11 LEU 27 1HD1 LEU 27 3.700 10.569 0.015 197 HD12 LEU 27 2HD1 LEU 27 4.790 11.956 0.049 198 HD13 LEU 27 3HD1 LEU 27 5.448 10.321 -0.031 199 HD21 LEU 27 3HD2 LEU 27 2.792 12.174 -1.642 200 HD22 LEU 27 1HD2 LEU 27 3.253 11.886 -3.318 201 HD23 LEU 27 2HD2 LEU 27 4.131 13.075 -2.354 202 H GLY 28 H GLY 28 7.881 9.692 -4.343 203 HA2 GLY 28 2HA GLY 28 9.790 9.861 -5.745 204 HA3 GLY 28 1HA GLY 28 9.664 11.616 -5.679 205 H LEU 29 H LEU 29 9.097 10.726 -2.595 206 HA LEU 29 HA LEU 29 11.664 11.538 -1.669 207 HB2 LEU 29 2HB LEU 29 9.462 10.204 -0.088 208 HB3 LEU 29 1HB LEU 29 10.770 11.194 0.548 209 HG LEU 29 HG LEU 29 8.610 12.145 -1.351 210 HD11 LEU 29 1HD1 LEU 29 9.053 12.645 1.607 211 HD12 LEU 29 2HD1 LEU 29 7.724 11.739 0.888 212 HD13 LEU 29 3HD1 LEU 29 7.855 13.476 0.614 213 HD21 LEU 29 3HD2 LEU 29 9.655 14.422 -0.525 214 HD22 LEU 29 1HD2 LEU 29 10.453 13.525 -1.815 215 HD23 LEU 29 2HD2 LEU 29 11.068 13.432 -0.164 216 H ASP 30 H ASP 30 12.459 10.032 0.329 217 HA ASP 30 HA ASP 30 13.512 7.660 -0.992 218 HB2 ASP 30 2HB ASP 30 14.998 9.077 0.351 219 HB3 ASP 30 1HB ASP 30 14.026 8.751 1.779 220 H ALA 31 H ALA 31 12.759 5.656 -0.755 221 HA ALA 31 HA ALA 31 10.385 5.047 0.589 222 HB1 ALA 31 1HB ALA 31 10.968 3.609 -1.157 223 HB2 ALA 31 2HB ALA 31 11.187 2.637 0.295 224 HB3 ALA 31 3HB ALA 31 12.589 3.344 -0.511 225 H ALA 32 H ALA 32 13.743 4.841 1.645 226 HA ALA 32 HA ALA 32 13.327 3.232 3.921 227 HB1 ALA 32 1HB ALA 32 15.543 3.509 3.108 228 HB2 ALA 32 2HB ALA 32 15.489 4.298 4.682 229 HB3 ALA 32 3HB ALA 32 15.435 5.266 3.207 230 H THR 33 H THR 33 12.548 6.519 3.281 231 HA THR 33 HA THR 33 11.836 6.880 6.136 232 HB THR 33 HB THR 33 12.372 9.396 5.585 233 HG1 THR 33 1HG THR 33 14.267 8.144 3.931 234 HG21 THR 33 3HG2 THR 33 14.684 9.038 6.401 235 HG22 THR 33 1HG2 THR 33 14.553 7.322 6.013 236 HG23 THR 33 2HG2 THR 33 13.544 8.020 7.280 237 H ILE 34 H ILE 34 10.143 5.922 4.064 238 HA ILE 34 HA ILE 34 8.563 8.162 3.146 239 HB ILE 34 HB ILE 34 8.425 5.195 2.941 240 HG12 ILE 34 2HG1 ILE 34 9.368 6.830 1.242 241 HG13 ILE 34 1HG1 ILE 34 8.198 5.665 0.620 242 HG21 ILE 34 1HG2 ILE 34 6.168 5.361 3.630 243 HG22 ILE 34 2HG2 ILE 34 6.086 5.474 1.889 244 HG23 ILE 34 3HG2 ILE 34 5.959 6.939 2.858 245 HD11 ILE 34 3HD1 ILE 34 8.109 8.403 0.263 246 HD12 ILE 34 1HD1 ILE 34 6.951 8.162 1.561 247 HD13 ILE 34 2HD1 ILE 34 6.758 7.302 0.034 248 H ALA 35 H ALA 35 7.451 5.422 5.085 249 HA ALA 35 HA ALA 35 6.714 6.684 7.414 250 HB1 ALA 35 1HB ALA 35 4.783 7.147 5.153 251 HB2 ALA 35 2HB ALA 35 5.275 8.255 6.442 252 HB3 ALA 35 3HB ALA 35 4.159 6.948 6.790 253 H THR 36 H THR 36 7.275 4.039 5.927 254 HA THR 36 HA THR 36 5.352 2.196 5.841 255 HB THR 36 HB THR 36 6.940 0.557 6.528 256 HG1 THR 36 1HG THR 36 8.783 1.274 7.774 257 HG21 THR 36 3HG2 THR 36 8.923 1.199 5.334 258 HG22 THR 36 1HG2 THR 36 8.613 2.911 5.621 259 HG23 THR 36 2HG2 THR 36 7.568 1.997 4.534 260 H ASP 37 H ASP 37 6.583 3.616 8.881 261 HA ASP 37 HA ASP 37 4.647 2.033 10.418 262 HB2 ASP 37 2HB ASP 37 6.938 3.851 11.183 263 HB3 ASP 37 1HB ASP 37 5.838 3.124 12.355 264 H LEU 38 H LEU 38 5.053 5.135 9.002 265 HA LEU 38 HA LEU 38 3.070 6.352 10.801 266 HB2 LEU 38 2HB LEU 38 5.107 7.421 8.880 267 HB3 LEU 38 1HB LEU 38 3.710 8.412 9.233 268 HG LEU 38 HG LEU 38 4.348 7.836 11.763 269 HD11 LEU 38 1HD1 LEU 38 6.131 6.271 11.080 270 HD12 LEU 38 2HD1 LEU 38 6.767 7.607 12.040 271 HD13 LEU 38 3HD1 LEU 38 6.971 7.598 10.286 272 HD21 LEU 38 3HD2 LEU 38 4.323 10.094 10.692 273 HD22 LEU 38 1HD2 LEU 38 5.966 9.804 10.116 274 HD23 LEU 38 2HD2 LEU 38 5.643 9.901 11.848 275 HA PRO 39 HA PRO 39 -0.202 6.046 7.899 276 HB2 PRO 39 2HB PRO 39 -1.521 8.431 8.319 277 HB3 PRO 39 1HB PRO 39 -1.601 7.055 9.437 278 HG2 PRO 39 2HG PRO 39 0.082 9.522 9.591 279 HG3 PRO 39 1HG PRO 39 -0.796 8.673 10.879 280 HD2 PRO 39 2HD PRO 39 1.878 8.386 10.534 281 HD3 PRO 39 1HD PRO 39 0.860 7.060 11.126 282 H LEU 40 H LEU 40 -1.298 7.348 6.094 283 HA LEU 40 HA LEU 40 0.725 8.312 4.292 284 HB2 LEU 40 2HB LEU 40 -1.007 8.398 2.647 285 HB3 LEU 40 1HB LEU 40 -1.326 6.969 3.625 286 HG LEU 40 HG LEU 40 -2.669 9.658 4.046 287 HD11 LEU 40 1HD1 LEU 40 -3.937 7.167 2.952 288 HD12 LEU 40 2HD1 LEU 40 -3.213 8.384 1.902 289 HD13 LEU 40 3HD1 LEU 40 -4.563 8.817 2.950 290 HD21 LEU 40 3HD2 LEU 40 -2.888 6.958 5.352 291 HD22 LEU 40 1HD2 LEU 40 -4.237 8.096 5.385 292 HD23 LEU 40 2HD2 LEU 40 -2.698 8.538 6.110 293 H THR 41 H THR 41 -1.480 9.735 6.519 294 HA THR 41 HA THR 41 -1.915 12.244 5.447 295 HB THR 41 HB THR 41 -1.325 11.821 8.371 296 HG1 THR 41 1HG THR 41 -2.727 10.244 8.078 297 HG21 THR 41 3HG2 THR 41 -1.833 14.118 7.460 298 HG22 THR 41 1HG2 THR 41 -2.989 13.548 8.663 299 HG23 THR 41 2HG2 THR 41 -3.406 13.503 6.952 300 H SER 42 H SER 42 0.954 10.962 7.063 301 HA SER 42 HA SER 42 2.388 13.178 7.688 302 HB2 SER 42 2HB SER 42 4.352 11.847 7.429 303 HB3 SER 42 1HB SER 42 3.070 10.707 7.827 304 HG SER 42 HG SER 42 3.184 9.899 5.879 305 H TYR 43 H TYR 43 1.700 11.962 4.454 306 HA TYR 43 HA TYR 43 3.576 13.623 3.075 307 HB2 TYR 43 2HB TYR 43 1.044 12.556 1.856 308 HB3 TYR 43 1HB TYR 43 2.616 12.765 1.114 309 HD1 TYR 43 1HD TYR 43 4.189 11.545 3.563 310 HD2 TYR 43 2HD TYR 43 0.817 10.224 1.233 311 HE1 TYR 43 1HE TYR 43 4.737 9.211 4.093 312 HE2 TYR 43 2HE TYR 43 1.386 7.874 1.773 313 HH TYR 43 HH TYR 43 2.785 6.522 2.826 314 H GLY 44 H GLY 44 0.875 14.414 4.794 315 HA2 GLY 44 2HA GLY 44 -0.355 16.340 4.985 316 HA3 GLY 44 1HA GLY 44 0.907 17.115 4.030 317 H LEU 45 H LEU 45 -0.763 14.373 2.722 318 HA LEU 45 HA LEU 45 -1.688 15.925 0.499 319 HB2 LEU 45 2HB LEU 45 -2.292 13.876 -0.463 320 HB3 LEU 45 1HB LEU 45 -0.859 13.508 0.478 321 HG LEU 45 HG LEU 45 -3.731 13.006 1.375 322 HD11 LEU 45 1HD1 LEU 45 -2.858 10.596 1.335 323 HD12 LEU 45 2HD1 LEU 45 -1.539 11.209 0.339 324 HD13 LEU 45 3HD1 LEU 45 -3.205 11.339 -0.222 325 HD21 LEU 45 3HD2 LEU 45 -2.427 13.486 3.327 326 HD22 LEU 45 1HD2 LEU 45 -1.044 12.612 2.698 327 HD23 LEU 45 2HD2 LEU 45 -2.475 11.736 3.216 328 H ASP 46 H ASP 46 -3.734 16.557 -0.026 329 HA ASP 46 HA ASP 46 -5.632 16.876 2.081 330 HB2 ASP 46 2HB ASP 46 -5.386 18.412 0.120 331 HB3 ASP 46 1HB ASP 46 -6.112 17.159 -0.888 332 H SER 47 H SER 47 -7.984 16.172 1.761 333 HA SER 47 HA SER 47 -8.118 13.343 1.801 334 HB2 SER 47 2HB SER 47 -10.565 13.693 1.941 335 HB3 SER 47 1HB SER 47 -9.687 14.734 3.058 336 HG SER 47 HG SER 47 -9.870 15.983 0.724 337 H VAL 48 H VAL 48 -8.709 15.741 -0.690 338 HA VAL 48 HA VAL 48 -10.036 14.020 -2.530 339 HB VAL 48 HB VAL 48 -8.439 16.547 -3.025 340 HG11 VAL 48 1HG1 VAL 48 -10.268 14.878 -4.758 341 HG12 VAL 48 2HG1 VAL 48 -8.636 15.438 -5.118 342 HG13 VAL 48 3HG1 VAL 48 -9.976 16.584 -5.092 343 HG21 VAL 48 3HG2 VAL 48 -11.430 16.107 -2.752 344 HG22 VAL 48 1HG2 VAL 48 -10.613 17.653 -2.983 345 HG23 VAL 48 2HG2 VAL 48 -10.400 16.761 -1.478 346 H TYR 49 H TYR 49 -6.733 14.499 -1.652 347 HA TYR 49 HA TYR 49 -5.544 13.501 -4.038 348 HB2 TYR 49 2HB TYR 49 -4.568 14.720 -1.799 349 HB3 TYR 49 1HB TYR 49 -4.107 13.050 -1.479 350 HD1 TYR 49 2HD TYR 49 -4.205 15.371 -4.426 351 HD2 TYR 49 1HD TYR 49 -1.968 12.451 -2.214 352 HE1 TYR 49 2HE TYR 49 -2.328 15.592 -6.027 353 HE2 TYR 49 1HE TYR 49 -0.089 12.680 -3.797 354 HH TYR 49 HH TYR 49 -0.237 15.012 -6.493 355 H ALA 50 H ALA 50 -6.375 11.987 -0.937 356 HA ALA 50 HA ALA 50 -5.364 9.459 -1.280 357 HB1 ALA 50 1HB ALA 50 -6.968 8.701 0.296 358 HB2 ALA 50 2HB ALA 50 -8.139 9.926 -0.189 359 HB3 ALA 50 3HB ALA 50 -6.692 10.395 0.702 360 H LEU 51 H LEU 51 -8.235 10.871 -2.736 361 HA LEU 51 HA LEU 51 -9.367 8.518 -3.784 362 HB2 LEU 51 2HB LEU 51 -10.612 10.584 -3.756 363 HB3 LEU 51 1HB LEU 51 -9.424 11.362 -4.797 364 HG LEU 51 HG LEU 51 -10.541 8.853 -5.926 365 HD11 LEU 51 1HD1 LEU 51 -12.546 9.744 -4.793 366 HD12 LEU 51 2HD1 LEU 51 -12.697 9.843 -6.547 367 HD13 LEU 51 3HD1 LEU 51 -12.318 11.289 -5.611 368 HD21 LEU 51 3HD2 LEU 51 -10.535 11.625 -7.139 369 HD22 LEU 51 1HD2 LEU 51 -10.422 10.068 -7.961 370 HD23 LEU 51 2HD2 LEU 51 -9.054 10.678 -7.029 371 H SER 52 H SER 52 -7.110 10.844 -5.272 372 HA SER 52 HA SER 52 -6.824 9.404 -7.705 373 HB2 SER 52 2HB SER 52 -6.236 11.859 -7.196 374 HB3 SER 52 1HB SER 52 -4.721 11.228 -6.544 375 HG SER 52 HG SER 52 -5.548 10.271 -9.028 376 H ILE 53 H ILE 53 -4.786 9.611 -4.800 377 HA ILE 53 HA ILE 53 -2.794 7.822 -5.689 378 HB ILE 53 HB ILE 53 -3.657 8.353 -2.843 379 HG12 ILE 53 2HG1 ILE 53 -3.086 10.388 -4.411 380 HG13 ILE 53 1HG1 ILE 53 -2.334 10.283 -2.825 381 HG21 ILE 53 1HG2 ILE 53 -1.118 7.948 -2.518 382 HG22 ILE 53 2HG2 ILE 53 -1.170 7.215 -4.120 383 HG23 ILE 53 3HG2 ILE 53 -2.139 6.537 -2.808 384 HD11 ILE 53 3HD1 ILE 53 -0.260 9.652 -3.691 385 HD12 ILE 53 1HD1 ILE 53 -0.835 10.798 -4.902 386 HD13 ILE 53 2HD1 ILE 53 -0.950 9.069 -5.202 387 H ALA 54 H ALA 54 -5.516 7.289 -3.475 388 HA ALA 54 HA ALA 54 -5.189 4.575 -3.067 389 HB1 ALA 54 1HB ALA 54 -7.822 6.017 -3.401 390 HB2 ALA 54 2HB ALA 54 -6.887 5.944 -1.907 391 HB3 ALA 54 3HB ALA 54 -7.579 4.475 -2.588 392 H ALA 55 H ALA 55 -6.754 6.247 -5.767 393 HA ALA 55 HA ALA 55 -7.853 4.011 -7.083 394 HB1 ALA 55 1HB ALA 55 -6.734 6.533 -8.310 395 HB2 ALA 55 2HB ALA 55 -8.374 6.339 -7.691 396 HB3 ALA 55 3HB ALA 55 -7.839 5.406 -9.089 397 H GLU 56 H GLU 56 -4.825 5.712 -7.951 398 HA GLU 56 HA GLU 56 -3.934 3.804 -9.797 399 HB2 GLU 56 2HB GLU 56 -1.623 4.727 -9.261 400 HB3 GLU 56 1HB GLU 56 -2.839 5.910 -9.751 401 HG2 GLU 56 2HG GLU 56 -3.302 6.366 -7.366 402 HG3 GLU 56 1HG GLU 56 -2.017 5.275 -6.911 403 H LEU 57 H LEU 57 -3.348 3.976 -6.291 404 HA LEU 57 HA LEU 57 -1.518 1.849 -6.090 405 HB2 LEU 57 2HB LEU 57 -3.305 3.351 -4.269 406 HB3 LEU 57 1HB LEU 57 -2.926 1.727 -3.709 407 HG LEU 57 HG LEU 57 -0.498 2.250 -4.031 408 HD11 LEU 57 1HD1 LEU 57 -1.596 4.987 -4.625 409 HD12 LEU 57 2HD1 LEU 57 -0.602 3.976 -5.671 410 HD13 LEU 57 3HD1 LEU 57 0.079 4.673 -4.205 411 HD21 LEU 57 3HD2 LEU 57 -0.317 3.642 -2.034 412 HD22 LEU 57 1HD2 LEU 57 -1.627 2.480 -1.841 413 HD23 LEU 57 2HD2 LEU 57 -1.993 4.163 -2.221 414 H GLU 58 H GLU 58 -5.022 1.762 -5.497 415 HA GLU 58 HA GLU 58 -5.040 -1.102 -5.356 416 HB2 GLU 58 2HB GLU 58 -7.496 -0.858 -5.286 417 HB3 GLU 58 1HB GLU 58 -6.684 0.208 -4.165 418 HG2 GLU 58 2HG GLU 58 -7.980 1.845 -5.101 419 HG3 GLU 58 1HG GLU 58 -6.803 1.791 -6.400 420 H ASP 59 H ASP 59 -5.853 1.258 -7.847 421 HA ASP 59 HA ASP 59 -6.995 -0.475 -9.734 422 HB2 ASP 59 2HB ASP 59 -7.092 1.972 -9.946 423 HB3 ASP 59 1HB ASP 59 -5.350 2.019 -10.223 424 H HIS 60 H HIS 60 -3.738 -0.038 -8.713 425 HA HIS 60 HA HIS 60 -2.414 -1.050 -11.031 426 HB2 HIS 60 2HB HIS 60 -1.672 -0.515 -8.197 427 HB3 HIS 60 1HB HIS 60 -0.665 -1.683 -9.035 428 HD1 HIS 60 1HD HIS 60 -0.573 -0.510 -11.852 429 HD2 HIS 60 2HD HIS 60 -0.264 1.881 -8.449 430 HE1 HIS 60 1HE HIS 60 0.573 1.629 -12.580 431 HE2 HIS 60 2HE HIS 60 0.769 3.096 -10.519 432 H LEU 61 H LEU 61 -3.717 -2.569 -8.132 433 HA LEU 61 HA LEU 61 -2.881 -5.220 -9.128 434 HB2 LEU 61 2HB LEU 61 -4.037 -4.923 -6.396 435 HB3 LEU 61 1HB LEU 61 -2.665 -5.872 -6.932 436 HG LEU 61 HG LEU 61 -2.677 -2.846 -6.654 437 HD11 LEU 61 1HD1 LEU 61 -1.242 -4.808 -4.911 438 HD12 LEU 61 2HD1 LEU 61 -2.853 -4.192 -4.533 439 HD13 LEU 61 3HD1 LEU 61 -1.491 -3.078 -4.683 440 HD21 LEU 61 3HD2 LEU 61 -0.272 -4.656 -6.923 441 HD22 LEU 61 1HD2 LEU 61 -0.362 -2.901 -7.127 442 HD23 LEU 61 2HD2 LEU 61 -1.064 -3.969 -8.333 443 H ASP 62 H ASP 62 -5.210 -3.708 -10.183 444 HA ASP 62 HA ASP 62 -7.475 -3.982 -10.549 445 HB2 ASP 62 2HB ASP 62 -6.405 -6.787 -10.389 446 HB3 ASP 62 1HB ASP 62 -8.046 -6.411 -10.905 447 H VAL 63 H VAL 63 -7.580 -3.155 -8.154 448 HA VAL 63 HA VAL 63 -9.485 -4.898 -6.773 449 HB VAL 63 HB VAL 63 -8.191 -4.310 -4.571 450 HG11 VAL 63 1HG1 VAL 63 -6.846 -6.343 -4.790 451 HG12 VAL 63 2HG1 VAL 63 -7.047 -6.306 -6.540 452 HG13 VAL 63 3HG1 VAL 63 -8.444 -6.586 -5.498 453 HG21 VAL 63 3HG2 VAL 63 -6.037 -4.040 -6.683 454 HG22 VAL 63 1HG2 VAL 63 -5.724 -4.205 -4.958 455 HG23 VAL 63 2HG2 VAL 63 -6.567 -2.797 -5.576 456 H SER 64 H SER 64 -10.742 -3.754 -5.176 457 HA SER 64 HA SER 64 -10.715 -0.807 -5.547 458 HB2 SER 64 2HB SER 64 -13.102 -2.576 -4.988 459 HB3 SER 64 1HB SER 64 -13.122 -0.843 -5.299 460 HG SER 64 HG SER 64 -13.075 -1.278 -7.344 461 H LEU 65 H LEU 65 -10.918 0.458 -3.755 462 HA LEU 65 HA LEU 65 -10.726 -0.917 -1.136 463 HB2 LEU 65 2HB LEU 65 -9.946 1.950 -1.653 464 HB3 LEU 65 1HB LEU 65 -9.408 0.870 -0.366 465 HG LEU 65 HG LEU 65 -8.753 0.580 -3.303 466 HD11 LEU 65 1HD1 LEU 65 -6.364 0.894 -1.963 467 HD12 LEU 65 2HD1 LEU 65 -7.423 1.956 -1.036 468 HD13 LEU 65 3HD1 LEU 65 -7.234 2.193 -2.773 469 HD21 LEU 65 3HD2 LEU 65 -8.126 -1.072 -0.853 470 HD22 LEU 65 1HD2 LEU 65 -7.104 -1.132 -2.292 471 HD23 LEU 65 2HD2 LEU 65 -8.796 -1.607 -2.393 472 H ASP 66 H ASP 66 -11.734 0.161 0.692 473 HA ASP 66 HA ASP 66 -14.309 1.349 -0.085 474 HB2 ASP 66 2HB ASP 66 -13.346 -0.371 2.102 475 HB3 ASP 66 1HB ASP 66 -14.420 0.908 2.658 476 HA PRO 67 HA PRO 67 -13.356 5.393 1.250 477 HB2 PRO 67 2HB PRO 67 -15.629 6.100 2.668 478 HB3 PRO 67 1HB PRO 67 -15.542 6.030 0.898 479 HG2 PRO 67 2HG PRO 67 -16.608 4.004 2.821 480 HG3 PRO 67 1HG PRO 67 -17.277 4.543 1.267 481 HD2 PRO 67 2HD PRO 67 -15.927 2.218 1.479 482 HD3 PRO 67 1HD PRO 67 -15.800 3.228 0.021 483 H THR 68 H THR 68 -15.273 4.299 4.030 484 HA THR 68 HA THR 68 -13.635 5.542 5.952 485 HB THR 68 HB THR 68 -15.543 3.219 6.302 486 HG1 THR 68 1HG THR 68 -17.065 4.709 6.462 487 HG21 THR 68 3HG2 THR 68 -15.666 4.256 8.645 488 HG22 THR 68 1HG2 THR 68 -14.184 5.110 8.221 489 HG23 THR 68 2HG2 THR 68 -14.206 3.347 8.257 490 H LEU 69 H LEU 69 -13.235 2.653 4.207 491 HA LEU 69 HA LEU 69 -11.671 1.214 6.137 492 HB2 LEU 69 2HB LEU 69 -12.849 0.122 4.260 493 HB3 LEU 69 1HB LEU 69 -11.754 0.916 3.129 494 HG LEU 69 HG LEU 69 -10.716 -0.783 5.402 495 HD11 LEU 69 1HD1 LEU 69 -11.535 -1.706 2.641 496 HD12 LEU 69 2HD1 LEU 69 -12.238 -2.209 4.176 497 HD13 LEU 69 3HD1 LEU 69 -10.581 -2.661 3.774 498 HD21 LEU 69 3HD2 LEU 69 -9.538 0.598 3.056 499 HD22 LEU 69 1HD2 LEU 69 -8.999 -1.071 3.246 500 HD23 LEU 69 2HD2 LEU 69 -8.781 0.076 4.562 501 H ILE 70 H ILE 70 -10.892 3.330 3.377 502 HA ILE 70 HA ILE 70 -8.130 2.991 3.358 503 HB ILE 70 HB ILE 70 -9.863 5.373 2.706 504 HG12 ILE 70 2HG1 ILE 70 -8.221 3.665 0.830 505 HG13 ILE 70 1HG1 ILE 70 -9.821 3.150 1.342 506 HG21 ILE 70 1HG2 ILE 70 -7.724 6.131 1.461 507 HG22 ILE 70 2HG2 ILE 70 -6.869 5.041 2.553 508 HG23 ILE 70 3HG2 ILE 70 -7.792 6.396 3.203 509 HD11 ILE 70 3HD1 ILE 70 -9.124 5.732 -0.087 510 HD12 ILE 70 1HD1 ILE 70 -10.731 5.348 0.540 511 HD13 ILE 70 2HD1 ILE 70 -10.031 4.373 -0.751 512 H TRP 71 H TRP 71 -10.142 5.035 5.405 513 HA TRP 71 HA TRP 71 -7.861 6.258 6.706 514 HB2 TRP 71 2HB TRP 71 -10.839 6.343 7.212 515 HB3 TRP 71 1HB TRP 71 -9.673 7.153 8.257 516 HD1 TRP 71 HD TRP 71 -11.616 7.641 5.160 517 HE1 TRP 71 1HE TRP 71 -10.819 9.748 3.906 518 HE3 TRP 71 3HE TRP 71 -7.259 8.570 7.668 519 HZ2 TRP 71 2HZ TRP 71 -8.618 11.581 3.956 520 HZ3 TRP 71 3HZ TRP 71 -5.839 10.497 7.044 521 HH2 TRP 71 HH TRP 71 -6.512 12.003 5.195 522 H ASP 72 H ASP 72 -9.261 3.249 6.877 523 HA ASP 72 HA ASP 72 -8.916 2.897 9.767 524 HB2 ASP 72 2HB ASP 72 -9.834 0.981 7.603 525 HB3 ASP 72 1HB ASP 72 -9.704 0.581 9.313 526 H HIS 73 H HIS 73 -7.421 1.990 6.716 527 HA HIS 73 HA HIS 73 -5.130 0.839 8.216 528 HB2 HIS 73 2HB HIS 73 -5.933 0.120 5.393 529 HB3 HIS 73 1HB HIS 73 -4.767 -0.705 6.431 530 HD1 HIS 73 1HD HIS 73 -6.749 -0.464 8.998 531 HD2 HIS 73 2HD HIS 73 -7.625 -2.175 5.299 532 HE1 HIS 73 1HE HIS 73 -8.663 -2.078 9.388 533 HE2 HIS 73 2HE HIS 73 -9.203 -3.132 7.142 534 HA PRO 74 HA PRO 74 -3.872 4.525 5.528 535 HB2 PRO 74 2HB PRO 74 -3.098 6.210 7.543 536 HB3 PRO 74 1HB PRO 74 -4.762 6.135 6.934 537 HG2 PRO 74 2HG PRO 74 -3.583 4.861 9.366 538 HG3 PRO 74 1HG PRO 74 -5.131 5.709 9.178 539 HD2 PRO 74 2HD PRO 74 -4.965 2.978 9.168 540 HD3 PRO 74 1HD PRO 74 -6.174 3.879 8.222 541 H THR 75 H THR 75 -2.584 2.262 7.537 542 HA THR 75 HA THR 75 0.207 3.189 7.121 543 HB THR 75 HB THR 75 0.737 1.582 9.014 544 HG1 THR 75 1HG THR 75 -1.675 1.760 10.141 545 HG21 THR 75 3HG2 THR 75 0.737 3.968 9.405 546 HG22 THR 75 1HG2 THR 75 -0.088 3.191 10.758 547 HG23 THR 75 2HG2 THR 75 -1.025 3.997 9.499 548 H ILE 76 H ILE 76 1.742 1.677 6.490 549 HA ILE 76 HA ILE 76 0.912 -0.164 4.521 550 HB ILE 76 HB ILE 76 3.569 0.116 5.948 551 HG12 ILE 76 2HG1 ILE 76 2.485 1.081 3.282 552 HG13 ILE 76 1HG1 ILE 76 2.980 2.079 4.646 553 HG21 ILE 76 1HG2 ILE 76 4.492 -1.237 4.076 554 HG22 ILE 76 2HG2 ILE 76 2.860 -1.481 3.457 555 HG23 ILE 76 3HG2 ILE 76 3.335 -2.169 5.006 556 HD11 ILE 76 3HD1 ILE 76 5.268 0.612 4.193 557 HD12 ILE 76 1HD1 ILE 76 4.965 2.218 3.528 558 HD13 ILE 76 2HD1 ILE 76 4.621 0.783 2.570 559 H ASP 77 H ASP 77 1.894 -0.589 7.895 560 HA ASP 77 HA ASP 77 2.117 -3.344 8.010 561 HB2 ASP 77 2HB ASP 77 2.538 -1.685 9.870 562 HB3 ASP 77 1HB ASP 77 0.797 -1.649 10.133 563 H ALA 78 H ALA 78 -0.837 -1.394 8.506 564 HA ALA 78 HA ALA 78 -2.551 -3.651 8.779 565 HB1 ALA 78 1HB ALA 78 -3.264 -1.548 9.697 566 HB2 ALA 78 2HB ALA 78 -4.371 -1.947 8.384 567 HB3 ALA 78 3HB ALA 78 -3.104 -0.744 8.135 568 H LEU 79 H LEU 79 -1.832 -1.454 6.080 569 HA LEU 79 HA LEU 79 -3.617 -2.595 4.250 570 HB2 LEU 79 2HB LEU 79 -1.889 -0.477 4.197 571 HB3 LEU 79 1HB LEU 79 -1.062 -1.594 3.133 572 HG LEU 79 HG LEU 79 -2.528 -0.268 1.768 573 HD11 LEU 79 1HD1 LEU 79 -3.573 -1.958 0.575 574 HD12 LEU 79 2HD1 LEU 79 -4.190 -2.754 2.024 575 HD13 LEU 79 3HD1 LEU 79 -2.499 -2.922 1.579 576 HD21 LEU 79 3HD2 LEU 79 -4.658 0.400 2.359 577 HD22 LEU 79 1HD2 LEU 79 -4.088 0.051 3.986 578 HD23 LEU 79 2HD2 LEU 79 -5.048 -1.141 3.122 579 H SER 80 H SER 80 -0.202 -3.317 4.870 580 HA SER 80 HA SER 80 0.150 -5.236 2.860 581 HB2 SER 80 2HB SER 80 2.020 -4.253 4.112 582 HB3 SER 80 1HB SER 80 1.469 -5.057 5.578 583 HG SER 80 HG SER 80 2.371 -6.247 3.165 584 H THR 81 H THR 81 -0.790 -5.592 6.267 585 HA THR 81 HA THR 81 -1.023 -8.387 6.320 586 HB THR 81 HB THR 81 -2.662 -6.339 7.832 587 HG1 THR 81 1HG THR 81 -0.699 -5.992 8.551 588 HG21 THR 81 3HG2 THR 81 -3.713 -8.523 7.957 589 HG22 THR 81 1HG2 THR 81 -2.887 -8.214 9.484 590 HG23 THR 81 2HG2 THR 81 -2.160 -9.290 8.292 591 H ALA 82 H ALA 82 -3.390 -5.902 5.421 592 HA ALA 82 HA ALA 82 -5.523 -7.729 4.963 593 HB1 ALA 82 1HB ALA 82 -6.573 -5.825 3.774 594 HB2 ALA 82 2HB ALA 82 -5.056 -4.934 3.902 595 HB3 ALA 82 3HB ALA 82 -5.952 -5.361 5.359 596 H LEU 83 H LEU 83 -3.052 -6.247 2.833 597 HA LEU 83 HA LEU 83 -4.115 -7.172 0.413 598 HB2 LEU 83 2HB LEU 83 -2.111 -5.495 1.035 599 HB3 LEU 83 1HB LEU 83 -1.136 -6.937 0.739 600 HG LEU 83 HG LEU 83 -3.120 -5.676 -1.175 601 HD11 LEU 83 1HD1 LEU 83 -0.112 -5.790 -0.993 602 HD12 LEU 83 2HD1 LEU 83 -1.150 -4.388 -1.234 603 HD13 LEU 83 3HD1 LEU 83 -0.917 -5.547 -2.542 604 HD21 LEU 83 3HD2 LEU 83 -3.278 -7.996 -1.590 605 HD22 LEU 83 1HD2 LEU 83 -1.567 -8.266 -1.227 606 HD23 LEU 83 2HD2 LEU 83 -2.037 -7.464 -2.725 607 H VAL 84 H VAL 84 -1.556 -8.561 2.483 608 HA VAL 84 HA VAL 84 -1.111 -10.846 0.905 609 HB VAL 84 HB VAL 84 0.399 -10.060 2.719 610 HG11 VAL 84 1HG1 VAL 84 -1.392 -9.547 4.337 611 HG12 VAL 84 2HG1 VAL 84 -0.138 -10.560 5.034 612 HG13 VAL 84 3HG1 VAL 84 -1.682 -11.268 4.557 613 HG21 VAL 84 3HG2 VAL 84 0.777 -12.281 1.933 614 HG22 VAL 84 1HG2 VAL 84 -0.628 -12.909 2.794 615 HG23 VAL 84 2HG2 VAL 84 0.788 -12.389 3.693 616 H ALA 85 H ALA 85 -3.505 -10.075 3.356 617 HA ALA 85 HA ALA 85 -4.461 -12.663 3.875 618 HB1 ALA 85 1HB ALA 85 -6.391 -11.619 4.783 619 HB2 ALA 85 2HB ALA 85 -6.205 -10.206 3.745 620 HB3 ALA 85 3HB ALA 85 -5.072 -10.486 5.067 621 H GLU 86 H GLU 86 -5.133 -10.388 1.277 622 HA GLU 86 HA GLU 86 -7.355 -11.651 0.112 623 HB2 GLU 86 2HB GLU 86 -5.093 -10.209 -1.290 624 HB3 GLU 86 1HB GLU 86 -6.679 -10.555 -1.981 625 HG2 GLU 86 2HG GLU 86 -6.208 -8.916 0.511 626 HG3 GLU 86 1HG GLU 86 -6.504 -8.237 -1.081 627 H LEU 87 H LEU 87 -4.079 -12.657 0.304 628 HA LEU 87 HA LEU 87 -4.306 -14.518 -1.948 629 HB2 LEU 87 2HB LEU 87 -2.176 -13.264 -1.545 630 HB3 LEU 87 1HB LEU 87 -1.997 -14.134 -0.021 631 HG LEU 87 HG LEU 87 -2.010 -16.281 -1.269 632 HD11 LEU 87 1HD1 LEU 87 -1.513 -15.838 -3.865 633 HD12 LEU 87 2HD1 LEU 87 -2.507 -14.412 -3.560 634 HD13 LEU 87 3HD1 LEU 87 -3.157 -16.024 -3.265 635 HD21 LEU 87 3HD2 LEU 87 0.230 -16.086 -2.116 636 HD22 LEU 87 1HD2 LEU 87 0.089 -14.981 -0.749 637 HD23 LEU 87 2HD2 LEU 87 0.033 -14.356 -2.397 638 H ARG 88 H ARG 88 -4.770 -14.454 1.446 639 HA ARG 88 HA ARG 88 -4.438 -17.356 1.734 640 HB2 ARG 88 2HB ARG 88 -5.111 -15.184 3.728 641 HB3 ARG 88 1HB ARG 88 -4.952 -16.897 4.128 642 HG2 ARG 88 2HG ARG 88 -2.624 -16.830 3.170 643 HG3 ARG 88 1HG ARG 88 -2.800 -15.083 2.999 644 HD2 ARG 88 2HD ARG 88 -3.106 -16.587 5.611 645 HD3 ARG 88 1HD ARG 88 -1.643 -15.742 5.114 646 HE ARG 88 HE ARG 88 -3.625 -13.851 4.923 647 HH11 ARG 88 1HH2 ARG 88 -2.443 -16.003 7.359 648 HH12 ARG 88 2HH2 ARG 88 -2.847 -14.955 8.678 649 HH21 ARG 88 1HH1 ARG 88 -4.160 -12.470 6.645 650 HH22 ARG 88 2HH1 ARG 88 -3.819 -12.954 8.272 651 H SER 89 H SER 89 -6.722 -15.566 0.388 652 HA SER 89 HA SER 89 -8.812 -17.475 0.987 653 HB2 SER 89 2HB SER 89 -9.071 -14.579 1.809 654 HB3 SER 89 1HB SER 89 -10.451 -15.655 1.607 655 HG SER 89 HG SER 89 -9.356 -17.069 3.125 656 H ALA 90 H ALA 90 -10.633 -17.269 -0.453 657 HA ALA 90 HA ALA 90 -10.708 -15.286 -2.510 658 HB1 ALA 90 1HB ALA 90 -9.592 -18.012 -3.193 659 HB2 ALA 90 2HB ALA 90 -8.819 -16.445 -3.436 660 HB3 ALA 90 3HB ALA 90 -10.230 -16.892 -4.395 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 12.684 -18.796 -17.518 2 H2 GLY 1 2HT GLY 1 11.334 -19.815 -17.354 3 H3 GLY 1 3HT GLY 1 12.844 -20.464 -17.783 4 HA2 GLY 1 2HA GLY 1 13.007 -20.956 -15.616 5 HA3 GLY 1 1HA GLY 1 13.478 -19.261 -15.487 6 H HIS 2 H HIS 2 10.764 -21.503 -15.255 7 HA HIS 2 HA HIS 2 8.768 -21.395 -14.119 8 HB2 HIS 2 2HB HIS 2 10.315 -21.117 -12.204 9 HB3 HIS 2 1HB HIS 2 10.258 -19.369 -12.437 10 HD1 HIS 2 1HD HIS 2 7.902 -22.273 -11.714 11 HD2 HIS 2 2HD HIS 2 8.096 -18.142 -11.210 12 HE1 HIS 2 1HE HIS 2 5.879 -21.625 -10.335 13 HE2 HIS 2 2HE HIS 2 5.982 -19.106 -10.018 14 H MET 3 H MET 3 6.982 -19.855 -13.402 15 HA MET 3 HA MET 3 6.378 -18.093 -15.538 16 HB2 MET 3 2HB MET 3 4.704 -19.300 -14.099 17 HB3 MET 3 1HB MET 3 5.072 -18.154 -12.811 18 HG2 MET 3 2HG MET 3 3.130 -17.326 -13.977 19 HG3 MET 3 1HG MET 3 4.485 -16.292 -14.420 20 HE1 MET 3 3HE MET 3 2.062 -19.157 -16.973 21 HE2 MET 3 1HE MET 3 1.584 -18.226 -15.547 22 HE3 MET 3 2HE MET 3 2.662 -19.608 -15.379 23 H SER 4 H SER 4 6.449 -17.148 -12.108 24 HA SER 4 HA SER 4 8.317 -14.994 -12.592 25 HB2 SER 4 2HB SER 4 5.461 -14.296 -11.880 26 HB3 SER 4 1HB SER 4 6.801 -13.172 -12.084 27 HG SER 4 HG SER 4 6.371 -13.199 -14.131 28 H ASP 5 H ASP 5 8.536 -13.618 -10.566 29 HA ASP 5 HA ASP 5 8.705 -15.409 -8.287 30 HB2 ASP 5 2HB ASP 5 9.811 -13.453 -7.197 31 HB3 ASP 5 1HB ASP 5 10.581 -13.948 -8.703 32 H LEU 6 H LEU 6 6.179 -13.854 -9.506 33 HA LEU 6 HA LEU 6 5.011 -13.325 -6.843 34 HB2 LEU 6 2HB LEU 6 5.502 -11.149 -7.715 35 HB3 LEU 6 1HB LEU 6 4.822 -11.555 -9.288 36 HG LEU 6 HG LEU 6 2.945 -11.940 -7.018 37 HD11 LEU 6 1HD1 LEU 6 2.498 -9.532 -6.735 38 HD12 LEU 6 2HD1 LEU 6 3.883 -9.161 -7.762 39 HD13 LEU 6 3HD1 LEU 6 4.128 -9.953 -6.207 40 HD21 LEU 6 3HD2 LEU 6 1.354 -11.101 -8.550 41 HD22 LEU 6 1HD2 LEU 6 2.492 -11.979 -9.570 42 HD23 LEU 6 2HD2 LEU 6 2.574 -10.223 -9.472 43 H SER 7 H SER 7 4.205 -13.624 -10.298 44 HA SER 7 HA SER 7 2.276 -14.425 -11.308 45 HB2 SER 7 2HB SER 7 3.743 -16.409 -10.874 46 HB3 SER 7 1HB SER 7 2.826 -16.699 -9.400 47 HG SER 7 HG SER 7 2.225 -17.608 -11.707 48 H THR 8 H THR 8 0.367 -16.265 -10.263 49 HA THR 8 HA THR 8 -1.384 -14.423 -8.939 50 HB THR 8 HB THR 8 -2.850 -16.529 -8.801 51 HG1 THR 8 1HG THR 8 -1.027 -17.949 -8.966 52 HG21 THR 8 3HG2 THR 8 -3.209 -14.923 -10.563 53 HG22 THR 8 1HG2 THR 8 -3.197 -16.523 -11.306 54 HG23 THR 8 2HG2 THR 8 -1.779 -15.483 -11.432 55 H ALA 9 H ALA 9 1.189 -15.568 -7.658 56 HA ALA 9 HA ALA 9 -0.015 -16.031 -5.009 57 HB1 ALA 9 1HB ALA 9 1.388 -17.908 -4.559 58 HB2 ALA 9 2HB ALA 9 2.251 -17.704 -6.088 59 HB3 ALA 9 3HB ALA 9 0.565 -18.228 -6.087 60 HA PRO 10 HA PRO 10 3.488 -12.960 -5.020 61 HB2 PRO 10 2HB PRO 10 1.585 -11.425 -3.360 62 HB3 PRO 10 1HB PRO 10 2.459 -10.906 -4.820 63 HG2 PRO 10 2HG PRO 10 -0.195 -11.340 -4.805 64 HG3 PRO 10 1HG PRO 10 0.802 -11.704 -6.222 65 HD2 PRO 10 2HD PRO 10 -0.281 -13.594 -4.153 66 HD3 PRO 10 1HD PRO 10 -0.167 -13.795 -5.913 67 H THR 11 H THR 11 4.617 -12.045 -3.067 68 HA THR 11 HA THR 11 4.126 -13.691 -0.645 69 HB THR 11 HB THR 11 6.781 -12.612 -1.614 70 HG1 THR 11 1HG THR 11 6.035 -14.171 -3.049 71 HG21 THR 11 3HG2 THR 11 6.760 -13.007 0.758 72 HG22 THR 11 1HG2 THR 11 7.610 -14.358 0.011 73 HG23 THR 11 2HG2 THR 11 5.942 -14.555 0.547 74 H LEU 12 H LEU 12 4.513 -12.706 1.338 75 HA LEU 12 HA LEU 12 3.508 -10.182 1.744 76 HB2 LEU 12 2HB LEU 12 5.451 -11.824 3.378 77 HB3 LEU 12 1HB LEU 12 4.864 -10.262 3.945 78 HG LEU 12 HG LEU 12 2.524 -11.082 3.665 79 HD11 LEU 12 1HD1 LEU 12 2.396 -13.687 3.551 80 HD12 LEU 12 2HD1 LEU 12 4.014 -13.590 2.867 81 HD13 LEU 12 3HD1 LEU 12 2.665 -12.807 2.049 82 HD21 LEU 12 3HD2 LEU 12 4.425 -12.597 5.470 83 HD22 LEU 12 1HD2 LEU 12 2.672 -12.757 5.592 84 HD23 LEU 12 2HD2 LEU 12 3.437 -11.193 5.875 85 H ASP 13 H ASP 13 6.862 -11.114 1.174 86 HA ASP 13 HA ASP 13 7.994 -8.571 1.696 87 HB2 ASP 13 2HB ASP 13 9.142 -10.507 -0.293 88 HB3 ASP 13 1HB ASP 13 9.982 -9.390 0.769 89 H SER 14 H SER 14 6.761 -10.073 -1.307 90 HA SER 14 HA SER 14 7.621 -8.002 -3.014 91 HB2 SER 14 2HB SER 14 5.988 -8.913 -4.588 92 HB3 SER 14 1HB SER 14 7.021 -10.159 -3.896 93 HG SER 14 HG SER 14 4.885 -9.763 -2.330 94 H LEU 15 H LEU 15 4.641 -8.478 -1.141 95 HA LEU 15 HA LEU 15 3.375 -6.180 -2.282 96 HB2 LEU 15 2HB LEU 15 2.819 -7.973 0.058 97 HB3 LEU 15 1HB LEU 15 1.870 -6.509 -0.166 98 HG LEU 15 HG LEU 15 0.988 -7.253 -2.227 99 HD11 LEU 15 1HD1 LEU 15 1.792 -9.320 -3.328 100 HD12 LEU 15 2HD1 LEU 15 3.116 -9.392 -2.192 101 HD13 LEU 15 3HD1 LEU 15 3.009 -8.071 -3.343 102 HD21 LEU 15 3HD2 LEU 15 0.020 -9.405 -1.681 103 HD22 LEU 15 1HD2 LEU 15 0.190 -8.472 -0.189 104 HD23 LEU 15 2HD2 LEU 15 1.344 -9.747 -0.569 105 H ARG 16 H ARG 16 4.409 -6.753 1.053 106 HA ARG 16 HA ARG 16 4.299 -4.291 2.126 107 HB2 ARG 16 2HB ARG 16 5.216 -6.184 3.335 108 HB3 ARG 16 1HB ARG 16 6.658 -6.165 2.330 109 HG2 ARG 16 2HG ARG 16 5.985 -3.592 3.709 110 HG3 ARG 16 1HG ARG 16 6.504 -4.904 4.754 111 HD2 ARG 16 2HD ARG 16 8.519 -5.172 3.171 112 HD3 ARG 16 1HD ARG 16 8.046 -3.626 2.488 113 HE ARG 16 HE ARG 16 9.184 -4.072 5.120 114 HH11 ARG 16 1HH2 ARG 16 7.403 -1.998 3.003 115 HH12 ARG 16 2HH2 ARG 16 7.815 -0.546 3.852 116 HH21 ARG 16 1HH1 ARG 16 9.729 -2.185 6.240 117 HH22 ARG 16 2HH1 ARG 16 9.136 -0.654 5.692 118 H VAL 17 H VAL 17 7.103 -5.373 0.148 119 HA VAL 17 HA VAL 17 8.450 -2.899 0.129 120 HB VAL 17 HB VAL 17 9.699 -3.823 -1.760 121 HG11 VAL 17 1HG1 VAL 17 9.036 -5.577 0.594 122 HG12 VAL 17 2HG1 VAL 17 10.573 -4.864 0.133 123 HG13 VAL 17 3HG1 VAL 17 9.982 -6.303 -0.711 124 HG21 VAL 17 3HG2 VAL 17 7.342 -5.626 -1.855 125 HG22 VAL 17 1HG2 VAL 17 8.852 -6.137 -2.571 126 HG23 VAL 17 2HG2 VAL 17 8.024 -4.695 -3.164 127 H TRP 18 H TRP 18 5.904 -4.245 -1.976 128 HA TRP 18 HA TRP 18 5.982 -2.276 -3.994 129 HB2 TRP 18 2HB TRP 18 4.249 -3.507 -4.826 130 HB3 TRP 18 1HB TRP 18 4.375 -4.496 -3.392 131 HD1 TRP 18 HD TRP 18 2.377 -4.302 -1.620 132 HE1 TRP 18 1HE TRP 18 0.260 -2.953 -1.485 133 HE3 TRP 18 3HE TRP 18 3.070 -1.147 -5.588 134 HZ2 TRP 18 2HZ TRP 18 -1.015 -0.875 -2.811 135 HZ3 TRP 18 3HZ TRP 18 1.326 0.516 -6.110 136 HH2 TRP 18 HH TRP 18 -0.720 0.620 -4.705 137 H LEU 19 H LEU 19 4.002 -2.395 -1.033 138 HA LEU 19 HA LEU 19 2.605 0.006 -1.388 139 HB2 LEU 19 2HB LEU 19 3.190 -1.878 0.789 140 HB3 LEU 19 1HB LEU 19 3.021 -0.240 1.389 141 HG LEU 19 HG LEU 19 0.913 -1.090 -0.559 142 HD11 LEU 19 1HD1 LEU 19 -0.322 -2.352 1.092 143 HD12 LEU 19 2HD1 LEU 19 1.011 -2.224 2.232 144 HD13 LEU 19 3HD1 LEU 19 1.207 -3.145 0.740 145 HD21 LEU 19 3HD2 LEU 19 -0.440 0.318 0.724 146 HD22 LEU 19 1HD2 LEU 19 1.129 1.106 0.829 147 HD23 LEU 19 2HD2 LEU 19 0.547 0.124 2.170 148 H VAL 20 H VAL 20 5.563 -0.480 0.607 149 HA VAL 20 HA VAL 20 5.907 2.271 1.105 150 HB VAL 20 HB VAL 20 7.034 0.582 2.427 151 HG11 VAL 20 1HG1 VAL 20 8.780 -0.049 0.043 152 HG12 VAL 20 2HG1 VAL 20 7.309 -0.949 0.380 153 HG13 VAL 20 3HG1 VAL 20 8.616 -0.946 1.549 154 HG21 VAL 20 3HG2 VAL 20 9.157 2.029 0.840 155 HG22 VAL 20 1HG2 VAL 20 9.191 1.595 2.547 156 HG23 VAL 20 2HG2 VAL 20 8.102 2.861 1.981 157 H ASP 21 H ASP 21 7.402 0.171 -1.358 158 HA ASP 21 HA ASP 21 8.950 2.175 -2.556 159 HB2 ASP 21 2HB ASP 21 9.281 -0.205 -3.015 160 HB3 ASP 21 1HB ASP 21 7.707 -0.290 -3.801 161 H CYS 22 H CYS 22 5.596 1.262 -3.002 162 HA CYS 22 HA CYS 22 5.078 2.694 -5.372 163 HB2 CYS 22 2HB CYS 22 3.485 1.085 -4.519 164 HB3 CYS 22 1HB CYS 22 3.245 2.039 -3.060 165 HG CYS 22 HG CYS 22 2.444 3.112 -5.885 166 H VAL 23 H VAL 23 4.677 3.657 -1.949 167 HA VAL 23 HA VAL 23 3.782 6.287 -2.512 168 HB VAL 23 HB VAL 23 5.309 5.267 -0.129 169 HG11 VAL 23 1HG1 VAL 23 3.332 7.505 0.109 170 HG12 VAL 23 2HG1 VAL 23 4.878 7.902 -0.618 171 HG13 VAL 23 3HG1 VAL 23 4.820 7.226 0.991 172 HG21 VAL 23 3HG2 VAL 23 2.338 5.412 -0.675 173 HG22 VAL 23 1HG2 VAL 23 3.043 5.065 0.910 174 HG23 VAL 23 2HG2 VAL 23 3.305 3.959 -0.444 175 H ALA 24 H ALA 24 7.057 5.020 -1.765 176 HA ALA 24 HA ALA 24 8.487 7.372 -1.766 177 HB1 ALA 24 1HB ALA 24 10.416 6.084 -2.221 178 HB2 ALA 24 2HB ALA 24 9.501 4.884 -3.132 179 HB3 ALA 24 3HB ALA 24 9.324 4.985 -1.382 180 H GLY 25 H GLY 25 7.722 5.345 -4.580 181 HA2 GLY 25 2HA GLY 25 8.919 7.029 -6.500 182 HA3 GLY 25 1HA GLY 25 7.658 5.847 -6.838 183 H HIS 26 H HIS 26 5.589 6.896 -5.236 184 HA HIS 26 HA HIS 26 4.429 8.770 -6.957 185 HB2 HIS 26 2HB HIS 26 3.839 7.996 -4.101 186 HB3 HIS 26 1HB HIS 26 2.864 9.191 -4.955 187 HD1 HIS 26 1HD HIS 26 2.481 8.067 -7.668 188 HD2 HIS 26 2HD HIS 26 2.439 5.631 -4.291 189 HE1 HIS 26 1HE HIS 26 1.217 5.971 -8.313 190 HE2 HIS 26 2HE HIS 26 1.188 4.474 -6.265 191 H LEU 27 H LEU 27 5.892 9.354 -3.717 192 HA LEU 27 HA LEU 27 5.670 12.232 -4.119 193 HB2 LEU 27 2HB LEU 27 7.012 10.685 -1.896 194 HB3 LEU 27 1HB LEU 27 6.557 12.390 -1.870 195 HG LEU 27 HG LEU 27 4.630 10.063 -2.158 196 HD11 LEU 27 1HD1 LEU 27 3.865 10.963 0.129 197 HD12 LEU 27 2HD1 LEU 27 5.403 11.827 0.173 198 HD13 LEU 27 3HD1 LEU 27 5.384 10.066 0.099 199 HD21 LEU 27 3HD2 LEU 27 3.569 11.855 -3.243 200 HD22 LEU 27 1HD2 LEU 27 4.302 13.061 -2.187 201 HD23 LEU 27 2HD2 LEU 27 2.992 12.041 -1.590 202 H GLY 28 H GLY 28 8.165 9.742 -4.156 203 HA2 GLY 28 2HA GLY 28 10.092 9.880 -5.544 204 HA3 GLY 28 1HA GLY 28 10.047 11.634 -5.403 205 H LEU 29 H LEU 29 9.366 10.594 -2.372 206 HA LEU 29 HA LEU 29 11.952 11.246 -1.354 207 HB2 LEU 29 2HB LEU 29 9.690 9.935 0.148 208 HB3 LEU 29 1HB LEU 29 11.005 10.888 0.821 209 HG LEU 29 HG LEU 29 8.846 11.901 -1.047 210 HD11 LEU 29 1HD1 LEU 29 8.209 11.409 1.358 211 HD12 LEU 29 2HD1 LEU 29 7.980 13.083 0.852 212 HD13 LEU 29 3HD1 LEU 29 9.373 12.642 1.840 213 HD21 LEU 29 3HD2 LEU 29 9.934 14.155 -0.295 214 HD22 LEU 29 1HD2 LEU 29 10.738 13.215 -1.549 215 HD23 LEU 29 2HD2 LEU 29 11.335 13.165 0.111 216 H ASP 30 H ASP 30 12.650 9.613 0.579 217 HA ASP 30 HA ASP 30 13.584 7.237 -0.845 218 HB2 ASP 30 2HB ASP 30 14.222 8.424 1.850 219 HB3 ASP 30 1HB ASP 30 14.868 6.875 1.315 220 H ALA 31 H ALA 31 12.810 5.221 -0.585 221 HA ALA 31 HA ALA 31 10.400 4.675 0.694 222 HB1 ALA 31 1HB ALA 31 10.792 3.076 -0.879 223 HB2 ALA 31 2HB ALA 31 11.449 2.206 0.508 224 HB3 ALA 31 3HB ALA 31 12.528 3.079 -0.579 225 H ALA 32 H ALA 32 13.721 4.292 1.844 226 HA ALA 32 HA ALA 32 13.166 2.789 4.147 227 HB1 ALA 32 1HB ALA 32 15.347 3.558 4.918 228 HB2 ALA 32 2HB ALA 32 15.350 4.834 3.700 229 HB3 ALA 32 3HB ALA 32 15.422 3.142 3.206 230 H THR 33 H THR 33 12.657 6.149 3.421 231 HA THR 33 HA THR 33 11.818 6.580 6.242 232 HB THR 33 HB THR 33 12.447 9.046 5.674 233 HG1 THR 33 1HG THR 33 14.473 8.057 4.133 234 HG21 THR 33 3HG2 THR 33 13.614 7.744 7.369 235 HG22 THR 33 1HG2 THR 33 14.818 8.574 6.383 236 HG23 THR 33 2HG2 THR 33 14.500 6.859 6.127 237 H ILE 34 H ILE 34 10.076 5.606 4.232 238 HA ILE 34 HA ILE 34 8.620 7.891 3.197 239 HB ILE 34 HB ILE 34 8.404 4.918 3.049 240 HG12 ILE 34 2HG1 ILE 34 9.433 6.468 1.348 241 HG13 ILE 34 1HG1 ILE 34 8.219 5.358 0.705 242 HG21 ILE 34 1HG2 ILE 34 5.995 6.702 2.869 243 HG22 ILE 34 2HG2 ILE 34 6.143 5.140 3.669 244 HG23 ILE 34 3HG2 ILE 34 6.107 5.222 1.930 245 HD11 ILE 34 3HD1 ILE 34 7.007 7.884 1.560 246 HD12 ILE 34 1HD1 ILE 34 6.979 7.094 -0.014 247 HD13 ILE 34 2HD1 ILE 34 8.312 8.147 0.424 248 H ALA 35 H ALA 35 7.337 5.250 5.172 249 HA ALA 35 HA ALA 35 6.620 6.589 7.452 250 HB1 ALA 35 1HB ALA 35 4.802 7.159 5.120 251 HB2 ALA 35 2HB ALA 35 5.289 8.228 6.447 252 HB3 ALA 35 3HB ALA 35 4.079 6.982 6.723 253 H THR 36 H THR 36 7.049 3.891 5.991 254 HA THR 36 HA THR 36 4.984 2.204 5.875 255 HB THR 36 HB THR 36 6.446 0.435 6.453 256 HG1 THR 36 1HG THR 36 7.765 2.389 8.032 257 HG21 THR 36 3HG2 THR 36 7.248 2.046 4.610 258 HG22 THR 36 1HG2 THR 36 8.459 0.972 5.306 259 HG23 THR 36 2HG2 THR 36 8.387 2.661 5.805 260 H ASP 37 H ASP 37 6.284 3.522 8.913 261 HA ASP 37 HA ASP 37 4.256 2.040 10.443 262 HB2 ASP 37 2HB ASP 37 6.671 3.707 11.188 263 HB3 ASP 37 1HB ASP 37 5.522 3.089 12.375 264 H LEU 38 H LEU 38 4.898 5.141 9.065 265 HA LEU 38 HA LEU 38 3.040 6.503 10.877 266 HB2 LEU 38 2HB LEU 38 5.010 7.421 8.820 267 HB3 LEU 38 1HB LEU 38 3.736 8.514 9.310 268 HG LEU 38 HG LEU 38 5.404 7.098 11.399 269 HD11 LEU 38 1HD1 LEU 38 6.986 8.981 11.373 270 HD12 LEU 38 2HD1 LEU 38 6.153 9.670 9.977 271 HD13 LEU 38 3HD1 LEU 38 7.001 8.132 9.827 272 HD21 LEU 38 3HD2 LEU 38 3.848 9.696 11.229 273 HD22 LEU 38 1HD2 LEU 38 4.940 9.326 12.563 274 HD23 LEU 38 2HD2 LEU 38 3.533 8.310 12.275 275 HA PRO 39 HA PRO 39 -0.370 6.281 8.102 276 HB2 PRO 39 2HB PRO 39 -1.600 8.708 8.554 277 HB3 PRO 39 1HB PRO 39 -1.679 7.338 9.680 278 HG2 PRO 39 2HG PRO 39 0.089 9.745 9.756 279 HG3 PRO 39 1HG PRO 39 -0.772 8.934 11.081 280 HD2 PRO 39 2HD PRO 39 1.870 8.543 10.656 281 HD3 PRO 39 1HD PRO 39 0.825 7.250 11.274 282 H LEU 40 H LEU 40 -1.471 7.531 6.295 283 HA LEU 40 HA LEU 40 0.508 8.404 4.446 284 HB2 LEU 40 2HB LEU 40 -1.262 8.553 2.838 285 HB3 LEU 40 1HB LEU 40 -1.612 7.150 3.841 286 HG LEU 40 HG LEU 40 -2.837 9.900 4.254 287 HD11 LEU 40 1HD1 LEU 40 -4.194 7.426 3.213 288 HD12 LEU 40 2HD1 LEU 40 -3.496 8.642 2.143 289 HD13 LEU 40 3HD1 LEU 40 -4.810 9.079 3.239 290 HD21 LEU 40 3HD2 LEU 40 -4.430 8.408 5.648 291 HD22 LEU 40 1HD2 LEU 40 -2.863 8.810 6.339 292 HD23 LEU 40 2HD2 LEU 40 -3.121 7.233 5.602 293 H THR 41 H THR 41 -1.580 9.959 6.682 294 HA THR 41 HA THR 41 -1.942 12.464 5.582 295 HB THR 41 HB THR 41 -1.269 12.207 8.505 296 HG1 THR 41 1HG THR 41 -2.530 10.493 8.402 297 HG21 THR 41 3HG2 THR 41 -3.653 13.499 7.170 298 HG22 THR 41 1HG2 THR 41 -2.103 14.339 7.289 299 HG23 THR 41 2HG2 THR 41 -2.959 13.853 8.755 300 H SER 42 H SER 42 0.900 11.116 7.169 301 HA SER 42 HA SER 42 2.426 13.342 7.611 302 HB2 SER 42 2HB SER 42 3.138 11.038 8.181 303 HB3 SER 42 1HB SER 42 3.373 10.700 6.465 304 HG SER 42 HG SER 42 4.601 12.995 7.265 305 H TYR 43 H TYR 43 1.544 11.927 4.522 306 HA TYR 43 HA TYR 43 3.547 13.264 2.978 307 HB2 TYR 43 2HB TYR 43 0.865 12.201 2.071 308 HB3 TYR 43 1HB TYR 43 2.273 12.496 1.060 309 HD1 TYR 43 2HD TYR 43 4.482 11.348 2.782 310 HD2 TYR 43 1HD TYR 43 0.531 9.869 1.912 311 HE1 TYR 43 2HE TYR 43 5.235 9.054 3.246 312 HE2 TYR 43 1HE TYR 43 1.322 7.565 2.373 313 HH TYR 43 HH TYR 43 3.343 6.308 2.424 314 H GLY 44 H GLY 44 0.997 14.461 4.672 315 HA2 GLY 44 2HA GLY 44 0.003 16.534 4.717 316 HA3 GLY 44 1HA GLY 44 1.283 17.057 3.627 317 H LEU 45 H LEU 45 -0.672 14.384 2.649 318 HA LEU 45 HA LEU 45 -1.595 15.763 0.330 319 HB2 LEU 45 2HB LEU 45 -2.463 13.720 -0.361 320 HB3 LEU 45 1HB LEU 45 -1.059 13.257 0.579 321 HG LEU 45 HG LEU 45 -3.942 13.236 1.554 322 HD11 LEU 45 1HD1 LEU 45 -2.061 10.903 1.229 323 HD12 LEU 45 2HD1 LEU 45 -3.157 11.416 -0.054 324 HD13 LEU 45 3HD1 LEU 45 -3.805 10.876 1.493 325 HD21 LEU 45 3HD2 LEU 45 -2.547 13.799 3.412 326 HD22 LEU 45 1HD2 LEU 45 -1.295 12.666 2.899 327 HD23 LEU 45 2HD2 LEU 45 -2.833 12.065 3.522 328 H ASP 46 H ASP 46 -4.044 15.566 -0.274 329 HA ASP 46 HA ASP 46 -5.592 16.700 1.979 330 HB2 ASP 46 2HB ASP 46 -5.839 16.961 -1.021 331 HB3 ASP 46 1HB ASP 46 -7.079 17.517 0.104 332 H SER 47 H SER 47 -8.098 16.310 1.332 333 HA SER 47 HA SER 47 -8.550 13.519 1.758 334 HB2 SER 47 2HB SER 47 -10.567 15.658 1.056 335 HB3 SER 47 1HB SER 47 -10.892 14.110 1.828 336 HG SER 47 HG SER 47 -10.743 15.656 3.423 337 H VAL 48 H VAL 48 -8.862 15.684 -1.005 338 HA VAL 48 HA VAL 48 -10.174 13.790 -2.707 339 HB VAL 48 HB VAL 48 -9.623 15.396 -4.512 340 HG11 VAL 48 1HG1 VAL 48 -10.776 17.388 -3.422 341 HG12 VAL 48 2HG1 VAL 48 -10.712 16.487 -1.908 342 HG13 VAL 48 3HG1 VAL 48 -11.625 15.849 -3.274 343 HG21 VAL 48 3HG2 VAL 48 -8.457 17.507 -3.860 344 HG22 VAL 48 1HG2 VAL 48 -7.407 16.095 -3.741 345 HG23 VAL 48 2HG2 VAL 48 -8.109 16.798 -2.285 346 H TYR 49 H TYR 49 -6.902 14.431 -1.820 347 HA TYR 49 HA TYR 49 -5.601 13.329 -4.081 348 HB2 TYR 49 2HB TYR 49 -4.726 14.615 -1.851 349 HB3 TYR 49 1HB TYR 49 -4.318 12.958 -1.411 350 HD1 TYR 49 1HD TYR 49 -4.158 15.172 -4.436 351 HD2 TYR 49 2HD TYR 49 -2.176 12.220 -2.026 352 HE1 TYR 49 1HE TYR 49 -2.178 15.284 -5.922 353 HE2 TYR 49 2HE TYR 49 -0.201 12.336 -3.499 354 HH TYR 49 HH TYR 49 -0.120 13.274 -6.379 355 H ALA 50 H ALA 50 -6.469 11.871 -0.944 356 HA ALA 50 HA ALA 50 -5.485 9.313 -1.342 357 HB1 ALA 50 1HB ALA 50 -7.338 8.582 0.197 358 HB2 ALA 50 2HB ALA 50 -7.972 10.226 0.112 359 HB3 ALA 50 3HB ALA 50 -6.375 9.930 0.800 360 H LEU 51 H LEU 51 -8.493 10.748 -2.486 361 HA LEU 51 HA LEU 51 -9.701 8.390 -3.438 362 HB2 LEU 51 2HB LEU 51 -10.953 10.451 -3.215 363 HB3 LEU 51 1HB LEU 51 -9.925 11.250 -4.398 364 HG LEU 51 HG LEU 51 -11.161 8.727 -5.386 365 HD11 LEU 51 1HD1 LEU 51 -12.895 11.146 -4.804 366 HD12 LEU 51 2HD1 LEU 51 -13.009 9.583 -3.996 367 HD13 LEU 51 3HD1 LEU 51 -13.387 9.717 -5.715 368 HD21 LEU 51 3HD2 LEU 51 -11.314 9.937 -7.410 369 HD22 LEU 51 1HD2 LEU 51 -9.853 10.588 -6.664 370 HD23 LEU 51 2HD2 LEU 51 -11.361 11.496 -6.586 371 H SER 52 H SER 52 -7.723 10.807 -5.175 372 HA SER 52 HA SER 52 -7.682 9.373 -7.626 373 HB2 SER 52 2HB SER 52 -7.145 11.844 -7.204 374 HB3 SER 52 1HB SER 52 -5.543 11.287 -6.703 375 HG SER 52 HG SER 52 -5.081 11.030 -8.735 376 H ILE 53 H ILE 53 -5.366 9.610 -4.951 377 HA ILE 53 HA ILE 53 -3.404 7.924 -6.108 378 HB ILE 53 HB ILE 53 -3.973 8.407 -3.172 379 HG12 ILE 53 2HG1 ILE 53 -3.619 10.469 -4.808 380 HG13 ILE 53 1HG1 ILE 53 -2.769 10.396 -3.273 381 HG21 ILE 53 1HG2 ILE 53 -1.584 7.393 -4.708 382 HG22 ILE 53 2HG2 ILE 53 -2.412 6.640 -3.342 383 HG23 ILE 53 3HG2 ILE 53 -1.423 8.077 -3.092 384 HD11 ILE 53 3HD1 ILE 53 -0.732 9.811 -4.289 385 HD12 ILE 53 1HD1 ILE 53 -1.418 11.003 -5.388 386 HD13 ILE 53 2HD1 ILE 53 -1.521 9.287 -5.777 387 H ALA 54 H ALA 54 -5.749 7.243 -3.487 388 HA ALA 54 HA ALA 54 -5.275 4.543 -3.209 389 HB1 ALA 54 1HB ALA 54 -7.533 4.347 -2.342 390 HB2 ALA 54 2HB ALA 54 -8.002 5.855 -3.122 391 HB3 ALA 54 3HB ALA 54 -6.837 5.869 -1.797 392 H ALA 55 H ALA 55 -7.192 6.200 -5.657 393 HA ALA 55 HA ALA 55 -8.336 3.865 -6.823 394 HB1 ALA 55 1HB ALA 55 -7.814 6.636 -7.891 395 HB2 ALA 55 2HB ALA 55 -9.348 5.944 -7.363 396 HB3 ALA 55 3HB ALA 55 -8.593 5.379 -8.854 397 H GLU 56 H GLU 56 -5.466 5.783 -7.696 398 HA GLU 56 HA GLU 56 -4.694 4.164 -9.886 399 HB2 GLU 56 2HB GLU 56 -3.117 6.013 -8.100 400 HB3 GLU 56 1HB GLU 56 -2.433 5.232 -9.528 401 HG2 GLU 56 2HG GLU 56 -4.127 6.289 -10.947 402 HG3 GLU 56 1HG GLU 56 -4.888 7.015 -9.531 403 H LEU 57 H LEU 57 -3.620 4.159 -6.491 404 HA LEU 57 HA LEU 57 -1.680 2.120 -6.655 405 HB2 LEU 57 2HB LEU 57 -3.427 3.281 -4.500 406 HB3 LEU 57 1HB LEU 57 -2.605 1.769 -4.142 407 HG LEU 57 HG LEU 57 -0.444 2.822 -4.763 408 HD11 LEU 57 1HD1 LEU 57 -0.419 5.301 -5.051 409 HD12 LEU 57 2HD1 LEU 57 -2.160 5.236 -5.177 410 HD13 LEU 57 3HD1 LEU 57 -1.177 4.436 -6.384 411 HD21 LEU 57 3HD2 LEU 57 -2.125 4.266 -2.713 412 HD22 LEU 57 1HD2 LEU 57 -0.377 4.462 -2.852 413 HD23 LEU 57 2HD2 LEU 57 -1.059 2.889 -2.434 414 H GLU 58 H GLU 58 -5.013 1.732 -5.417 415 HA GLU 58 HA GLU 58 -4.974 -1.055 -5.402 416 HB2 GLU 58 2HB GLU 58 -7.393 -0.973 -5.344 417 HB3 GLU 58 1HB GLU 58 -6.686 0.232 -4.310 418 HG2 GLU 58 2HG GLU 58 -8.124 1.674 -5.383 419 HG3 GLU 58 1HG GLU 58 -6.892 1.669 -6.614 420 H ASP 59 H ASP 59 -5.697 1.171 -8.044 421 HA ASP 59 HA ASP 59 -6.829 -0.692 -9.845 422 HB2 ASP 59 2HB ASP 59 -5.447 1.968 -10.161 423 HB3 ASP 59 1HB ASP 59 -5.886 1.035 -11.585 424 H HIS 60 H HIS 60 -3.584 -0.088 -8.855 425 HA HIS 60 HA HIS 60 -2.335 -1.363 -11.127 426 HB2 HIS 60 2HB HIS 60 -1.408 -0.226 -8.552 427 HB3 HIS 60 1HB HIS 60 -0.401 -1.510 -9.198 428 HD1 HIS 60 1HD HIS 60 -2.192 1.541 -10.639 429 HD2 HIS 60 2HD HIS 60 1.485 -0.404 -10.840 430 HE1 HIS 60 1HE HIS 60 -0.762 2.881 -12.240 431 HE2 HIS 60 2HE HIS 60 1.488 1.708 -12.373 432 H LEU 61 H LEU 61 -3.380 -2.435 -7.930 433 HA LEU 61 HA LEU 61 -2.404 -5.155 -8.482 434 HB2 LEU 61 2HB LEU 61 -3.784 -4.217 -5.973 435 HB3 LEU 61 1HB LEU 61 -2.775 -5.631 -6.186 436 HG LEU 61 HG LEU 61 -1.426 -4.013 -5.070 437 HD11 LEU 61 1HD1 LEU 61 -0.480 -5.220 -7.128 438 HD12 LEU 61 2HD1 LEU 61 0.407 -3.808 -6.550 439 HD13 LEU 61 3HD1 LEU 61 -0.639 -3.675 -7.964 440 HD21 LEU 61 3HD2 LEU 61 -1.564 -1.873 -7.093 441 HD22 LEU 61 1HD2 LEU 61 -1.614 -1.780 -5.346 442 HD23 LEU 61 2HD2 LEU 61 -3.075 -2.125 -6.229 443 H ASP 62 H ASP 62 -4.872 -3.667 -9.707 444 HA ASP 62 HA ASP 62 -7.022 -4.185 -10.275 445 HB2 ASP 62 2HB ASP 62 -5.697 -6.869 -10.011 446 HB3 ASP 62 1HB ASP 62 -7.330 -6.674 -10.630 447 H VAL 63 H VAL 63 -7.316 -3.377 -7.865 448 HA VAL 63 HA VAL 63 -9.237 -5.225 -6.661 449 HB VAL 63 HB VAL 63 -8.160 -4.692 -4.367 450 HG11 VAL 63 1HG1 VAL 63 -6.654 -6.590 -4.548 451 HG12 VAL 63 2HG1 VAL 63 -6.636 -6.440 -6.303 452 HG13 VAL 63 3HG1 VAL 63 -8.118 -6.915 -5.474 453 HG21 VAL 63 3HG2 VAL 63 -6.567 -3.015 -4.936 454 HG22 VAL 63 1HG2 VAL 63 -5.940 -3.957 -6.284 455 HG23 VAL 63 2HG2 VAL 63 -5.618 -4.459 -4.626 456 H SER 64 H SER 64 -10.627 -4.169 -5.102 457 HA SER 64 HA SER 64 -10.717 -1.219 -5.434 458 HB2 SER 64 2HB SER 64 -12.609 -2.457 -6.489 459 HB3 SER 64 1HB SER 64 -13.015 -3.118 -4.909 460 HG SER 64 HG SER 64 -13.361 -1.018 -4.172 461 H LEU 65 H LEU 65 -10.847 0.003 -3.644 462 HA LEU 65 HA LEU 65 -10.749 -1.369 -1.016 463 HB2 LEU 65 2HB LEU 65 -9.764 1.257 -0.670 464 HB3 LEU 65 1HB LEU 65 -8.801 -0.215 -0.752 465 HG LEU 65 HG LEU 65 -8.706 0.026 -3.225 466 HD11 LEU 65 1HD1 LEU 65 -9.406 2.819 -3.433 467 HD12 LEU 65 2HD1 LEU 65 -10.783 1.951 -2.762 468 HD13 LEU 65 3HD1 LEU 65 -10.091 1.450 -4.298 469 HD21 LEU 65 3HD2 LEU 65 -7.243 2.159 -3.118 470 HD22 LEU 65 1HD2 LEU 65 -6.808 0.813 -2.065 471 HD23 LEU 65 2HD2 LEU 65 -7.676 2.203 -1.407 472 H ASP 66 H ASP 66 -11.638 -0.123 0.786 473 HA ASP 66 HA ASP 66 -14.180 1.107 -0.007 474 HB2 ASP 66 2HB ASP 66 -13.248 -0.607 2.182 475 HB3 ASP 66 1HB ASP 66 -14.058 0.825 2.811 476 HA PRO 67 HA PRO 67 -13.055 5.188 1.174 477 HB2 PRO 67 2HB PRO 67 -15.315 6.079 2.486 478 HB3 PRO 67 1HB PRO 67 -15.218 5.872 0.727 479 HG2 PRO 67 2HG PRO 67 -16.414 4.060 2.780 480 HG3 PRO 67 1HG PRO 67 -17.011 4.486 1.166 481 HD2 PRO 67 2HD PRO 67 -15.739 2.132 1.670 482 HD3 PRO 67 1HD PRO 67 -15.632 2.952 0.098 483 H THR 68 H THR 68 -15.075 4.248 3.951 484 HA THR 68 HA THR 68 -13.410 5.499 5.858 485 HB THR 68 HB THR 68 -14.774 4.304 7.526 486 HG1 THR 68 1HG THR 68 -16.435 2.914 6.630 487 HG21 THR 68 3HG2 THR 68 -16.242 5.436 5.138 488 HG22 THR 68 1HG2 THR 68 -15.734 6.299 6.587 489 HG23 THR 68 2HG2 THR 68 -17.019 5.094 6.683 490 H LEU 69 H LEU 69 -13.142 2.534 4.210 491 HA LEU 69 HA LEU 69 -11.724 1.102 6.226 492 HB2 LEU 69 2HB LEU 69 -12.842 -0.078 4.419 493 HB3 LEU 69 1HB LEU 69 -11.808 0.729 3.238 494 HG LEU 69 HG LEU 69 -11.207 -1.664 3.833 495 HD11 LEU 69 1HD1 LEU 69 -9.610 0.418 3.102 496 HD12 LEU 69 2HD1 LEU 69 -9.084 -1.253 3.239 497 HD13 LEU 69 3HD1 LEU 69 -8.789 -0.139 4.562 498 HD21 LEU 69 3HD2 LEU 69 -10.350 -2.214 5.903 499 HD22 LEU 69 1HD2 LEU 69 -11.713 -1.178 6.294 500 HD23 LEU 69 2HD2 LEU 69 -10.065 -0.540 6.357 501 H ILE 70 H ILE 70 -10.746 3.072 3.456 502 HA ILE 70 HA ILE 70 -7.977 2.627 3.665 503 HB ILE 70 HB ILE 70 -9.560 4.994 2.638 504 HG12 ILE 70 2HG1 ILE 70 -7.939 3.002 1.039 505 HG13 ILE 70 1HG1 ILE 70 -9.581 2.619 1.530 506 HG21 ILE 70 1HG2 ILE 70 -7.341 5.522 1.454 507 HG22 ILE 70 2HG2 ILE 70 -6.585 4.452 2.637 508 HG23 ILE 70 3HG2 ILE 70 -7.429 5.905 3.175 509 HD11 ILE 70 3HD1 ILE 70 -9.370 3.697 -0.760 510 HD12 ILE 70 1HD1 ILE 70 -8.853 5.167 0.065 511 HD13 ILE 70 2HD1 ILE 70 -10.470 4.515 0.347 512 H TRP 71 H TRP 71 -10.089 5.000 5.194 513 HA TRP 71 HA TRP 71 -8.002 6.394 6.559 514 HB2 TRP 71 2HB TRP 71 -11.000 6.281 6.853 515 HB3 TRP 71 1HB TRP 71 -10.009 7.176 8.005 516 HD1 TRP 71 HD TRP 71 -11.647 7.517 4.718 517 HE1 TRP 71 1HE TRP 71 -10.867 9.672 3.535 518 HE3 TRP 71 3HE TRP 71 -7.649 8.750 7.662 519 HZ2 TRP 71 2HZ TRP 71 -8.816 11.653 3.806 520 HZ3 TRP 71 3HZ TRP 71 -6.307 10.767 7.177 521 HH2 TRP 71 HH TRP 71 -6.880 12.222 5.257 522 H ASP 72 H ASP 72 -9.066 3.292 6.926 523 HA ASP 72 HA ASP 72 -8.690 3.239 9.866 524 HB2 ASP 72 2HB ASP 72 -9.692 1.076 8.012 525 HB3 ASP 72 1HB ASP 72 -9.558 0.950 9.757 526 H HIS 73 H HIS 73 -7.273 2.242 6.844 527 HA HIS 73 HA HIS 73 -4.983 1.026 8.306 528 HB2 HIS 73 2HB HIS 73 -5.791 0.391 5.466 529 HB3 HIS 73 1HB HIS 73 -4.675 -0.497 6.511 530 HD1 HIS 73 1HD HIS 73 -6.945 0.015 8.946 531 HD2 HIS 73 2HD HIS 73 -7.343 -2.069 5.366 532 HE1 HIS 73 1HE HIS 73 -8.911 -1.561 9.229 533 HE2 HIS 73 2HE HIS 73 -9.097 -2.900 7.100 534 HA PRO 74 HA PRO 74 -3.680 4.763 5.710 535 HB2 PRO 74 2HB PRO 74 -2.835 6.374 7.748 536 HB3 PRO 74 1HB PRO 74 -4.525 6.317 7.212 537 HG2 PRO 74 2HG PRO 74 -3.250 4.943 9.538 538 HG3 PRO 74 1HG PRO 74 -4.790 5.830 9.456 539 HD2 PRO 74 2HD PRO 74 -4.686 3.107 9.332 540 HD3 PRO 74 1HD PRO 74 -5.910 4.071 8.468 541 H THR 75 H THR 75 -2.382 2.422 7.637 542 HA THR 75 HA THR 75 0.423 3.298 7.156 543 HB THR 75 HB THR 75 0.990 1.714 9.019 544 HG1 THR 75 1HG THR 75 -1.685 1.858 9.798 545 HG21 THR 75 3HG2 THR 75 0.863 4.104 9.455 546 HG22 THR 75 1HG2 THR 75 0.140 3.240 10.812 547 HG23 THR 75 2HG2 THR 75 -0.892 4.016 9.611 548 H ILE 76 H ILE 76 1.900 1.785 6.448 549 HA ILE 76 HA ILE 76 0.998 -0.034 4.493 550 HB ILE 76 HB ILE 76 3.693 0.207 5.855 551 HG12 ILE 76 2HG1 ILE 76 2.571 1.174 3.198 552 HG13 ILE 76 1HG1 ILE 76 3.057 2.178 4.555 553 HG21 ILE 76 1HG2 ILE 76 3.444 -2.071 4.922 554 HG22 ILE 76 2HG2 ILE 76 4.548 -1.147 3.931 555 HG23 ILE 76 3HG2 ILE 76 2.889 -1.398 3.397 556 HD11 ILE 76 3HD1 ILE 76 5.023 2.348 3.394 557 HD12 ILE 76 1HD1 ILE 76 4.712 0.876 2.490 558 HD13 ILE 76 2HD1 ILE 76 5.373 0.772 4.109 559 H ASP 77 H ASP 77 2.077 -0.489 7.826 560 HA ASP 77 HA ASP 77 2.256 -3.252 7.920 561 HB2 ASP 77 2HB ASP 77 1.342 -1.216 9.941 562 HB3 ASP 77 1HB ASP 77 1.500 -2.920 10.349 563 H ALA 78 H ALA 78 -0.632 -1.223 8.466 564 HA ALA 78 HA ALA 78 -2.401 -3.440 8.780 565 HB1 ALA 78 1HB ALA 78 -4.189 -1.722 8.485 566 HB2 ALA 78 2HB ALA 78 -2.941 -0.534 8.107 567 HB3 ALA 78 3HB ALA 78 -2.998 -1.276 9.706 568 H LEU 79 H LEU 79 -1.675 -1.244 6.074 569 HA LEU 79 HA LEU 79 -3.510 -2.336 4.258 570 HB2 LEU 79 2HB LEU 79 -1.702 -0.264 4.213 571 HB3 LEU 79 1HB LEU 79 -0.944 -1.383 3.107 572 HG LEU 79 HG LEU 79 -2.380 0.034 1.805 573 HD11 LEU 79 1HD1 LEU 79 -3.452 -1.584 0.567 574 HD12 LEU 79 2HD1 LEU 79 -4.158 -2.372 1.980 575 HD13 LEU 79 3HD1 LEU 79 -2.475 -2.636 1.581 576 HD21 LEU 79 3HD2 LEU 79 -4.925 -0.788 3.155 577 HD22 LEU 79 1HD2 LEU 79 -4.468 0.766 2.465 578 HD23 LEU 79 2HD2 LEU 79 -3.913 0.321 4.071 579 H SER 80 H SER 80 -0.115 -3.146 4.855 580 HA SER 80 HA SER 80 0.181 -5.062 2.830 581 HB2 SER 80 2HB SER 80 1.530 -4.868 5.529 582 HB3 SER 80 1HB SER 80 2.050 -5.930 4.224 583 HG SER 80 HG SER 80 3.196 -4.000 4.116 584 H THR 81 H THR 81 -0.772 -5.402 6.232 585 HA THR 81 HA THR 81 -1.078 -8.191 6.267 586 HB THR 81 HB THR 81 -2.604 -6.082 7.805 587 HG1 THR 81 1HG THR 81 -0.767 -5.931 8.778 588 HG21 THR 81 3HG2 THR 81 -2.414 -9.082 8.090 589 HG22 THR 81 1HG2 THR 81 -3.868 -8.094 7.964 590 HG23 THR 81 2HG2 THR 81 -2.888 -8.036 9.430 591 H ALA 82 H ALA 82 -3.390 -5.634 5.426 592 HA ALA 82 HA ALA 82 -5.564 -7.406 4.945 593 HB1 ALA 82 1HB ALA 82 -6.636 -5.486 3.901 594 HB2 ALA 82 2HB ALA 82 -5.091 -4.637 3.820 595 HB3 ALA 82 3HB ALA 82 -5.831 -4.976 5.386 596 H LEU 83 H LEU 83 -3.047 -5.965 2.840 597 HA LEU 83 HA LEU 83 -4.148 -6.800 0.406 598 HB2 LEU 83 2HB LEU 83 -2.054 -5.238 1.072 599 HB3 LEU 83 1HB LEU 83 -1.149 -6.711 0.722 600 HG LEU 83 HG LEU 83 -3.056 -5.257 -1.137 601 HD11 LEU 83 1HD1 LEU 83 -0.848 -5.265 -2.513 602 HD12 LEU 83 2HD1 LEU 83 -0.068 -5.612 -0.971 603 HD13 LEU 83 3HD1 LEU 83 -1.000 -4.133 -1.171 604 HD21 LEU 83 3HD2 LEU 83 -3.413 -7.537 -1.651 605 HD22 LEU 83 1HD2 LEU 83 -1.738 -7.959 -1.300 606 HD23 LEU 83 2HD2 LEU 83 -2.125 -7.067 -2.762 607 H VAL 84 H VAL 84 -1.672 -8.348 2.461 608 HA VAL 84 HA VAL 84 -1.359 -10.630 0.826 609 HB VAL 84 HB VAL 84 0.245 -9.947 2.595 610 HG11 VAL 84 1HG1 VAL 84 -0.255 -10.455 4.931 611 HG12 VAL 84 2HG1 VAL 84 -1.862 -11.026 4.493 612 HG13 VAL 84 3HG1 VAL 84 -1.436 -9.336 4.282 613 HG21 VAL 84 3HG2 VAL 84 0.559 -12.282 3.542 614 HG22 VAL 84 1HG2 VAL 84 0.444 -12.204 1.788 615 HG23 VAL 84 2HG2 VAL 84 -0.938 -12.739 2.746 616 H ALA 85 H ALA 85 -3.691 -9.744 3.296 617 HA ALA 85 HA ALA 85 -4.734 -12.298 3.843 618 HB1 ALA 85 1HB ALA 85 -6.605 -11.175 4.772 619 HB2 ALA 85 2HB ALA 85 -6.374 -9.769 3.731 620 HB3 ALA 85 3HB ALA 85 -5.237 -10.094 5.041 621 H GLU 86 H GLU 86 -5.370 -9.975 1.270 622 HA GLU 86 HA GLU 86 -7.658 -11.068 0.123 623 HB2 GLU 86 2HB GLU 86 -5.250 -9.897 -1.307 624 HB3 GLU 86 1HB GLU 86 -6.840 -10.149 -2.028 625 HG2 GLU 86 2HG GLU 86 -6.314 -8.439 0.407 626 HG3 GLU 86 1HG GLU 86 -6.508 -7.814 -1.224 627 H LEU 87 H LEU 87 -4.551 -12.472 0.407 628 HA LEU 87 HA LEU 87 -5.142 -14.458 -1.693 629 HB2 LEU 87 2HB LEU 87 -2.812 -13.057 -1.245 630 HB3 LEU 87 1HB LEU 87 -2.472 -14.552 -0.379 631 HG LEU 87 HG LEU 87 -1.696 -14.728 -2.679 632 HD11 LEU 87 1HD1 LEU 87 -2.788 -16.673 -1.438 633 HD12 LEU 87 2HD1 LEU 87 -2.668 -16.837 -3.189 634 HD13 LEU 87 3HD1 LEU 87 -4.205 -16.406 -2.450 635 HD21 LEU 87 3HD2 LEU 87 -4.388 -14.696 -3.930 636 HD22 LEU 87 1HD2 LEU 87 -2.870 -13.998 -4.495 637 HD23 LEU 87 2HD2 LEU 87 -3.859 -13.125 -3.329 638 H ARG 88 H ARG 88 -5.103 -14.012 1.669 639 HA ARG 88 HA ARG 88 -4.545 -16.744 2.382 640 HB2 ARG 88 2HB ARG 88 -5.703 -14.419 3.921 641 HB3 ARG 88 1HB ARG 88 -5.373 -15.994 4.636 642 HG2 ARG 88 2HG ARG 88 -3.187 -14.565 3.122 643 HG3 ARG 88 1HG ARG 88 -3.550 -14.087 4.777 644 HD2 ARG 88 2HD ARG 88 -2.829 -16.897 3.885 645 HD3 ARG 88 1HD ARG 88 -1.767 -15.780 4.730 646 HE ARG 88 HE ARG 88 -4.057 -16.003 6.286 647 HH11 ARG 88 1HH2 ARG 88 -1.568 -18.041 5.026 648 HH12 ARG 88 2HH2 ARG 88 -1.616 -19.155 6.352 649 HH21 ARG 88 1HH1 ARG 88 -4.137 -17.456 8.024 650 HH22 ARG 88 2HH1 ARG 88 -3.074 -18.824 8.051 651 H SER 89 H SER 89 -6.448 -17.405 4.178 652 HA SER 89 HA SER 89 -8.537 -18.395 2.485 653 HB2 SER 89 2HB SER 89 -7.664 -19.715 4.364 654 HB3 SER 89 1HB SER 89 -8.247 -18.499 5.496 655 HG SER 89 HG SER 89 -9.706 -20.269 5.207 656 H ALA 90 H ALA 90 -8.566 -16.276 5.355 657 HA ALA 90 HA ALA 90 -10.619 -14.600 4.182 658 HB1 ALA 90 1HB ALA 90 -12.357 -15.034 5.728 659 HB2 ALA 90 2HB ALA 90 -11.300 -15.986 6.772 660 HB3 ALA 90 3HB ALA 90 -11.806 -16.626 5.210 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -12.067 -19.406 -2.342 2 H2 GLY 1 2HT GLY 1 -13.736 -19.107 -2.447 3 H3 GLY 1 3HT GLY 1 -12.815 -18.378 -1.220 4 HA2 GLY 1 2HA GLY 1 -13.446 -17.279 -3.644 5 HA3 GLY 1 1HA GLY 1 -12.236 -16.682 -2.507 6 H HIS 2 H HIS 2 -12.726 -17.792 -5.615 7 HA HIS 2 HA HIS 2 -10.207 -19.111 -6.053 8 HB2 HIS 2 2HB HIS 2 -12.300 -19.465 -7.428 9 HB3 HIS 2 1HB HIS 2 -12.014 -17.873 -8.135 10 HD1 HIS 2 1HD HIS 2 -9.775 -17.575 -9.523 11 HD2 HIS 2 2HD HIS 2 -10.634 -21.502 -8.417 12 HE1 HIS 2 1HE HIS 2 -8.282 -19.060 -10.932 13 HE2 HIS 2 2HE HIS 2 -8.792 -21.456 -10.269 14 H MET 3 H MET 3 -11.000 -15.935 -5.474 15 HA MET 3 HA MET 3 -9.117 -14.718 -7.331 16 HB2 MET 3 2HB MET 3 -10.776 -13.601 -5.060 17 HB3 MET 3 1HB MET 3 -9.714 -12.627 -6.077 18 HG2 MET 3 2HG MET 3 -10.968 -13.299 -8.073 19 HG3 MET 3 1HG MET 3 -11.999 -14.340 -7.094 20 HE1 MET 3 3HE MET 3 -11.789 -9.809 -7.319 21 HE2 MET 3 1HE MET 3 -10.579 -11.019 -7.766 22 HE3 MET 3 2HE MET 3 -10.752 -10.519 -6.086 23 H SER 4 H SER 4 -7.274 -16.012 -6.562 24 HA SER 4 HA SER 4 -6.249 -15.902 -3.952 25 HB2 SER 4 2HB SER 4 -5.282 -17.515 -5.361 26 HB3 SER 4 1HB SER 4 -4.988 -16.349 -6.647 27 HG SER 4 HG SER 4 -3.191 -15.780 -5.701 28 H ASP 5 H ASP 5 -4.828 -14.204 -6.721 29 HA ASP 5 HA ASP 5 -4.924 -11.622 -5.620 30 HB2 ASP 5 2HB ASP 5 -3.363 -12.567 -3.947 31 HB3 ASP 5 1HB ASP 5 -2.257 -13.011 -5.237 32 H LEU 6 H LEU 6 -1.832 -12.445 -6.803 33 HA LEU 6 HA LEU 6 -2.339 -11.016 -9.273 34 HB2 LEU 6 2HB LEU 6 0.069 -11.892 -7.740 35 HB3 LEU 6 1HB LEU 6 0.268 -11.699 -9.479 36 HG LEU 6 HG LEU 6 -1.087 -9.516 -7.905 37 HD11 LEU 6 1HD1 LEU 6 1.286 -8.485 -7.789 38 HD12 LEU 6 2HD1 LEU 6 1.870 -10.134 -8.020 39 HD13 LEU 6 3HD1 LEU 6 0.889 -9.736 -6.610 40 HD21 LEU 6 3HD2 LEU 6 -0.302 -8.142 -9.718 41 HD22 LEU 6 1HD2 LEU 6 -0.937 -9.614 -10.456 42 HD23 LEU 6 2HD2 LEU 6 0.800 -9.402 -10.274 43 H SER 7 H SER 7 -0.568 -14.041 -8.610 44 HA SER 7 HA SER 7 -1.926 -15.900 -10.011 45 HB2 SER 7 2HB SER 7 -0.691 -13.938 -11.879 46 HB3 SER 7 1HB SER 7 -0.586 -15.637 -12.325 47 HG SER 7 HG SER 7 -2.940 -15.636 -11.784 48 H THR 8 H THR 8 1.321 -14.443 -10.206 49 HA THR 8 HA THR 8 2.631 -16.999 -10.364 50 HB THR 8 HB THR 8 4.069 -14.451 -9.666 51 HG1 THR 8 1HG THR 8 2.459 -14.892 -11.830 52 HG21 THR 8 3HG2 THR 8 5.195 -16.716 -9.983 53 HG22 THR 8 1HG2 THR 8 5.816 -15.414 -10.995 54 HG23 THR 8 2HG2 THR 8 4.722 -16.618 -11.677 55 H ALA 9 H ALA 9 0.997 -15.771 -7.969 56 HA ALA 9 HA ALA 9 0.961 -16.285 -5.717 57 HB1 ALA 9 1HB ALA 9 2.261 -18.030 -4.914 58 HB2 ALA 9 2HB ALA 9 3.657 -17.575 -5.884 59 HB3 ALA 9 3HB ALA 9 2.270 -18.347 -6.649 60 HA PRO 10 HA PRO 10 3.798 -12.734 -4.963 61 HB2 PRO 10 2HB PRO 10 2.027 -11.287 -3.454 62 HB3 PRO 10 1HB PRO 10 2.100 -11.195 -5.220 63 HG2 PRO 10 2HG PRO 10 0.136 -12.531 -3.467 64 HG3 PRO 10 1HG PRO 10 -0.061 -11.893 -5.103 65 HD2 PRO 10 2HD PRO 10 0.238 -14.606 -4.410 66 HD3 PRO 10 1HD PRO 10 0.378 -13.935 -6.051 67 H THR 11 H THR 11 4.800 -11.926 -2.991 68 HA THR 11 HA THR 11 4.281 -13.597 -0.598 69 HB THR 11 HB THR 11 6.950 -12.408 -1.363 70 HG1 THR 11 1HG THR 11 5.823 -14.158 -2.757 71 HG21 THR 11 3HG2 THR 11 7.770 -14.086 0.244 72 HG22 THR 11 1HG2 THR 11 6.118 -14.639 0.512 73 HG23 THR 11 2HG2 THR 11 6.594 -13.013 1.004 74 H LEU 12 H LEU 12 4.530 -12.574 1.402 75 HA LEU 12 HA LEU 12 3.445 -10.064 1.716 76 HB2 LEU 12 2HB LEU 12 5.501 -11.215 3.603 77 HB3 LEU 12 1HB LEU 12 4.163 -10.138 3.989 78 HG LEU 12 HG LEU 12 2.806 -12.224 2.830 79 HD11 LEU 12 1HD1 LEU 12 3.699 -14.324 3.425 80 HD12 LEU 12 2HD1 LEU 12 4.888 -13.618 4.517 81 HD13 LEU 12 3HD1 LEU 12 5.089 -13.458 2.775 82 HD21 LEU 12 3HD2 LEU 12 2.172 -11.236 4.953 83 HD22 LEU 12 1HD2 LEU 12 3.608 -11.890 5.741 84 HD23 LEU 12 2HD2 LEU 12 2.331 -12.975 5.189 85 H ASP 13 H ASP 13 6.861 -10.948 1.450 86 HA ASP 13 HA ASP 13 7.884 -8.363 1.999 87 HB2 ASP 13 2HB ASP 13 9.236 -10.347 0.191 88 HB3 ASP 13 1HB ASP 13 9.962 -9.151 1.254 89 H SER 14 H SER 14 6.920 -9.987 -1.035 90 HA SER 14 HA SER 14 7.881 -7.943 -2.738 91 HB2 SER 14 2HB SER 14 6.419 -8.968 -4.424 92 HB3 SER 14 1HB SER 14 7.427 -10.150 -3.596 93 HG SER 14 HG SER 14 5.691 -10.853 -2.469 94 H LEU 15 H LEU 15 4.778 -8.454 -1.087 95 HA LEU 15 HA LEU 15 3.544 -6.236 -2.396 96 HB2 LEU 15 2HB LEU 15 2.854 -8.021 -0.100 97 HB3 LEU 15 1HB LEU 15 1.897 -6.573 -0.382 98 HG LEU 15 HG LEU 15 1.136 -7.322 -2.477 99 HD11 LEU 15 1HD1 LEU 15 2.075 -9.301 -3.635 100 HD12 LEU 15 2HD1 LEU 15 3.346 -9.398 -2.426 101 HD13 LEU 15 3HD1 LEU 15 3.256 -8.022 -3.513 102 HD21 LEU 15 3HD2 LEU 15 0.181 -9.476 -2.016 103 HD22 LEU 15 1HD2 LEU 15 0.355 -8.648 -0.462 104 HD23 LEU 15 2HD2 LEU 15 1.515 -9.887 -0.934 105 H ARG 16 H ARG 16 4.337 -6.675 1.019 106 HA ARG 16 HA ARG 16 4.067 -4.195 2.011 107 HB2 ARG 16 2HB ARG 16 4.933 -5.966 3.380 108 HB3 ARG 16 1HB ARG 16 6.418 -6.039 2.440 109 HG2 ARG 16 2HG ARG 16 5.772 -3.365 3.598 110 HG3 ARG 16 1HG ARG 16 6.158 -4.613 4.773 111 HD2 ARG 16 2HD ARG 16 8.259 -5.097 3.442 112 HD3 ARG 16 1HD ARG 16 7.894 -3.680 2.471 113 HE ARG 16 HE ARG 16 7.934 -3.173 5.322 114 HH11 ARG 16 1HH2 ARG 16 9.681 -3.362 2.354 115 HH12 ARG 16 2HH2 ARG 16 10.956 -2.309 2.870 116 HH21 ARG 16 1HH1 ARG 16 9.587 -1.791 6.020 117 HH22 ARG 16 2HH1 ARG 16 10.901 -1.415 4.956 118 H VAL 17 H VAL 17 7.030 -5.234 0.259 119 HA VAL 17 HA VAL 17 8.305 -2.716 0.273 120 HB VAL 17 HB VAL 17 9.718 -3.660 -1.503 121 HG11 VAL 17 1HG1 VAL 17 10.496 -4.600 0.486 122 HG12 VAL 17 2HG1 VAL 17 10.010 -6.084 -0.352 123 HG13 VAL 17 3HG1 VAL 17 8.949 -5.362 0.854 124 HG21 VAL 17 3HG2 VAL 17 8.161 -4.637 -2.976 125 HG22 VAL 17 1HG2 VAL 17 7.421 -5.556 -1.681 126 HG23 VAL 17 2HG2 VAL 17 8.999 -6.026 -2.283 127 H TRP 18 H TRP 18 5.937 -4.201 -1.942 128 HA TRP 18 HA TRP 18 6.090 -2.295 -4.010 129 HB2 TRP 18 2HB TRP 18 4.418 -3.556 -4.903 130 HB3 TRP 18 1HB TRP 18 4.498 -4.529 -3.450 131 HD1 TRP 18 HD TRP 18 2.345 -4.501 -1.906 132 HE1 TRP 18 1HE TRP 18 0.209 -3.123 -1.822 133 HE3 TRP 18 3HE TRP 18 3.323 -1.042 -5.570 134 HZ2 TRP 18 2HZ TRP 18 -0.934 -0.923 -3.047 135 HZ3 TRP 18 3HZ TRP 18 1.632 0.689 -6.062 136 HH2 TRP 18 HH TRP 18 -0.492 0.724 -4.794 137 H LEU 19 H LEU 19 3.975 -2.354 -1.141 138 HA LEU 19 HA LEU 19 2.539 0.006 -1.599 139 HB2 LEU 19 2HB LEU 19 3.167 -1.750 0.678 140 HB3 LEU 19 1HB LEU 19 2.825 -0.100 1.160 141 HG LEU 19 HG LEU 19 0.927 -1.254 -0.827 142 HD11 LEU 19 1HD1 LEU 19 1.203 -3.224 0.519 143 HD12 LEU 19 2HD1 LEU 19 -0.319 -2.463 0.952 144 HD13 LEU 19 3HD1 LEU 19 1.079 -2.284 2.006 145 HD21 LEU 19 3HD2 LEU 19 0.844 1.019 0.446 146 HD22 LEU 19 1HD2 LEU 19 0.249 0.053 1.795 147 HD23 LEU 19 2HD2 LEU 19 -0.638 0.089 0.270 148 H VAL 20 H VAL 20 5.326 -0.282 0.665 149 HA VAL 20 HA VAL 20 5.594 2.457 1.032 150 HB VAL 20 HB VAL 20 6.721 0.798 2.413 151 HG11 VAL 20 1HG1 VAL 20 8.442 -0.620 1.615 152 HG12 VAL 20 2HG1 VAL 20 8.629 0.300 0.123 153 HG13 VAL 20 3HG1 VAL 20 7.197 -0.699 0.373 154 HG21 VAL 20 3HG2 VAL 20 7.669 3.086 2.210 155 HG22 VAL 20 1HG2 VAL 20 8.726 2.515 0.924 156 HG23 VAL 20 2HG2 VAL 20 8.904 1.876 2.556 157 H ASP 21 H ASP 21 7.195 0.329 -1.332 158 HA ASP 21 HA ASP 21 8.756 2.280 -2.562 159 HB2 ASP 21 2HB ASP 21 9.009 -0.118 -3.002 160 HB3 ASP 21 1HB ASP 21 7.445 -0.148 -3.811 161 H CYS 22 H CYS 22 5.357 1.497 -2.972 162 HA CYS 22 HA CYS 22 4.853 2.896 -5.343 163 HB2 CYS 22 2HB CYS 22 2.646 2.457 -4.905 164 HB3 CYS 22 1HB CYS 22 3.325 1.375 -3.716 165 HG CYS 22 HG CYS 22 1.448 3.338 -2.895 166 H VAL 23 H VAL 23 4.682 3.953 -1.956 167 HA VAL 23 HA VAL 23 3.913 6.606 -2.510 168 HB VAL 23 HB VAL 23 5.666 5.786 -0.212 169 HG11 VAL 23 1HG1 VAL 23 4.317 7.523 0.943 170 HG12 VAL 23 2HG1 VAL 23 3.481 7.855 -0.563 171 HG13 VAL 23 3HG1 VAL 23 5.209 8.178 -0.423 172 HG21 VAL 23 3HG2 VAL 23 2.682 5.398 -0.567 173 HG22 VAL 23 1HG2 VAL 23 3.519 5.280 0.986 174 HG23 VAL 23 2HG2 VAL 23 3.888 4.134 -0.313 175 H ALA 24 H ALA 24 7.172 5.217 -1.968 176 HA ALA 24 HA ALA 24 8.704 7.501 -2.173 177 HB1 ALA 24 1HB ALA 24 9.459 5.092 -1.759 178 HB2 ALA 24 2HB ALA 24 10.521 6.086 -2.756 179 HB3 ALA 24 3HB ALA 24 9.453 4.902 -3.511 180 H GLY 25 H GLY 25 7.572 5.427 -4.822 181 HA2 GLY 25 2HA GLY 25 8.692 7.001 -6.893 182 HA3 GLY 25 1HA GLY 25 7.371 5.853 -7.098 183 H HIS 26 H HIS 26 5.427 6.965 -5.457 184 HA HIS 26 HA HIS 26 4.237 8.873 -7.111 185 HB2 HIS 26 2HB HIS 26 3.749 8.202 -4.210 186 HB3 HIS 26 1HB HIS 26 2.728 9.300 -5.135 187 HD1 HIS 26 1HD HIS 26 2.369 7.955 -7.763 188 HD2 HIS 26 2HD HIS 26 2.405 5.804 -4.192 189 HE1 HIS 26 1HE HIS 26 1.162 5.778 -8.226 190 HE2 HIS 26 2HE HIS 26 1.194 4.453 -6.065 191 H LEU 27 H LEU 27 5.871 9.417 -3.940 192 HA LEU 27 HA LEU 27 5.682 12.304 -4.342 193 HB2 LEU 27 2HB LEU 27 7.021 10.725 -2.138 194 HB3 LEU 27 1HB LEU 27 6.615 12.443 -2.104 195 HG LEU 27 HG LEU 27 4.615 10.173 -2.366 196 HD11 LEU 27 1HD1 LEU 27 4.032 10.566 -0.088 197 HD12 LEU 27 2HD1 LEU 27 4.981 12.050 -0.024 198 HD13 LEU 27 3HD1 LEU 27 5.794 10.487 -0.114 199 HD21 LEU 27 3HD2 LEU 27 3.588 11.999 -3.421 200 HD22 LEU 27 1HD2 LEU 27 4.383 13.178 -2.377 201 HD23 LEU 27 2HD2 LEU 27 3.054 12.200 -1.754 202 H GLY 28 H GLY 28 8.128 9.754 -4.357 203 HA2 GLY 28 2HA GLY 28 10.050 9.815 -5.768 204 HA3 GLY 28 1HA GLY 28 10.043 11.573 -5.668 205 H LEU 29 H LEU 29 9.360 10.641 -2.607 206 HA LEU 29 HA LEU 29 11.976 11.239 -1.625 207 HB2 LEU 29 2HB LEU 29 9.696 10.060 -0.047 208 HB3 LEU 29 1HB LEU 29 11.032 11.032 0.559 209 HG LEU 29 HG LEU 29 8.848 11.957 -1.324 210 HD11 LEU 29 1HD1 LEU 29 9.478 12.744 1.536 211 HD12 LEU 29 2HD1 LEU 29 8.164 11.676 1.044 212 HD13 LEU 29 3HD1 LEU 29 8.156 13.370 0.550 213 HD21 LEU 29 3HD2 LEU 29 11.381 13.261 -0.318 214 HD22 LEU 29 1HD2 LEU 29 9.983 14.238 -0.769 215 HD23 LEU 29 2HD2 LEU 29 10.753 13.198 -1.964 216 H ASP 30 H ASP 30 12.592 9.635 0.385 217 HA ASP 30 HA ASP 30 13.494 7.213 -0.955 218 HB2 ASP 30 2HB ASP 30 14.983 8.555 0.538 219 HB3 ASP 30 1HB ASP 30 13.973 8.081 1.899 220 H ALA 31 H ALA 31 12.705 5.182 -0.640 221 HA ALA 31 HA ALA 31 10.178 4.735 0.444 222 HB1 ALA 31 1HB ALA 31 12.461 2.915 -0.190 223 HB2 ALA 31 2HB ALA 31 10.933 3.117 -1.047 224 HB3 ALA 31 3HB ALA 31 10.968 2.292 0.511 225 H ALA 32 H ALA 32 13.380 4.448 1.973 226 HA ALA 32 HA ALA 32 12.410 3.197 4.358 227 HB1 ALA 32 1HB ALA 32 14.720 2.959 3.593 228 HB2 ALA 32 2HB ALA 32 14.662 3.663 5.209 229 HB3 ALA 32 3HB ALA 32 14.977 4.690 3.810 230 H THR 33 H THR 33 12.279 6.393 3.215 231 HA THR 33 HA THR 33 11.916 7.453 5.956 232 HB THR 33 HB THR 33 13.707 8.355 4.202 233 HG1 THR 33 1HG THR 33 12.724 9.135 6.378 234 HG21 THR 33 3HG2 THR 33 11.715 8.931 2.596 235 HG22 THR 33 1HG2 THR 33 13.031 10.078 2.790 236 HG23 THR 33 2HG2 THR 33 11.507 10.323 3.643 237 H ILE 34 H ILE 34 10.031 6.090 3.773 238 HA ILE 34 HA ILE 34 8.215 8.162 3.101 239 HB ILE 34 HB ILE 34 8.075 5.157 3.161 240 HG12 ILE 34 2HG1 ILE 34 9.304 6.366 1.410 241 HG13 ILE 34 1HG1 ILE 34 7.973 5.427 0.763 242 HG21 ILE 34 1HG2 ILE 34 5.834 7.047 2.543 243 HG22 ILE 34 2HG2 ILE 34 5.822 5.707 3.690 244 HG23 ILE 34 3HG2 ILE 34 5.882 5.386 1.965 245 HD11 ILE 34 3HD1 ILE 34 8.476 8.307 0.671 246 HD12 ILE 34 1HD1 ILE 34 6.850 7.952 1.234 247 HD13 ILE 34 2HD1 ILE 34 7.392 7.339 -0.316 248 H ALA 35 H ALA 35 7.392 5.452 5.197 249 HA ALA 35 HA ALA 35 6.803 6.738 7.543 250 HB1 ALA 35 1HB ALA 35 4.781 7.251 5.397 251 HB2 ALA 35 2HB ALA 35 5.260 8.281 6.748 252 HB3 ALA 35 3HB ALA 35 4.167 6.929 7.011 253 H THR 36 H THR 36 7.386 4.089 6.164 254 HA THR 36 HA THR 36 5.497 2.214 6.132 255 HB THR 36 HB THR 36 7.103 0.609 6.768 256 HG1 THR 36 1HG THR 36 8.798 1.168 8.161 257 HG21 THR 36 3HG2 THR 36 9.117 1.325 5.645 258 HG22 THR 36 1HG2 THR 36 8.754 3.021 5.957 259 HG23 THR 36 2HG2 THR 36 7.761 2.102 4.827 260 H ASP 37 H ASP 37 6.745 3.682 9.149 261 HA ASP 37 HA ASP 37 4.735 2.166 10.689 262 HB2 ASP 37 2HB ASP 37 7.251 3.652 11.461 263 HB3 ASP 37 1HB ASP 37 6.108 2.999 12.638 264 H LEU 38 H LEU 38 4.272 4.611 8.977 265 HA LEU 38 HA LEU 38 2.881 6.165 11.030 266 HB2 LEU 38 2HB LEU 38 4.954 7.236 9.130 267 HB3 LEU 38 1HB LEU 38 3.626 8.273 9.622 268 HG LEU 38 HG LEU 38 4.510 7.203 12.059 269 HD11 LEU 38 1HD1 LEU 38 6.475 6.244 10.914 270 HD12 LEU 38 2HD1 LEU 38 6.948 7.514 12.043 271 HD13 LEU 38 3HD1 LEU 38 6.893 7.845 10.309 272 HD21 LEU 38 3HD2 LEU 38 5.418 9.467 12.442 273 HD22 LEU 38 1HD2 LEU 38 3.874 9.556 11.589 274 HD23 LEU 38 2HD2 LEU 38 5.381 9.780 10.705 275 HA PRO 39 HA PRO 39 -0.335 6.081 8.059 276 HB2 PRO 39 2HB PRO 39 -1.759 8.295 8.724 277 HB3 PRO 39 1HB PRO 39 -1.704 6.860 9.770 278 HG2 PRO 39 2HG PRO 39 -0.083 9.367 9.922 279 HG3 PRO 39 1HG PRO 39 -0.964 8.526 11.225 280 HD2 PRO 39 2HD PRO 39 1.700 8.187 10.908 281 HD3 PRO 39 1HD PRO 39 0.663 6.830 11.397 282 H LEU 40 H LEU 40 -0.411 6.626 6.021 283 HA LEU 40 HA LEU 40 1.236 8.189 4.599 284 HB2 LEU 40 2HB LEU 40 -0.383 8.159 2.808 285 HB3 LEU 40 1HB LEU 40 -0.445 6.627 3.659 286 HG LEU 40 HG LEU 40 -2.701 7.250 3.255 287 HD11 LEU 40 1HD1 LEU 40 -2.154 6.481 5.583 288 HD12 LEU 40 2HD1 LEU 40 -3.687 7.322 5.378 289 HD13 LEU 40 3HD1 LEU 40 -2.319 8.152 6.085 290 HD21 LEU 40 3HD2 LEU 40 -2.801 9.828 4.644 291 HD22 LEU 40 1HD2 LEU 40 -3.515 9.320 3.114 292 HD23 LEU 40 2HD2 LEU 40 -1.838 9.828 3.173 293 H THR 41 H THR 41 -1.239 9.266 6.653 294 HA THR 41 HA THR 41 -1.884 11.740 5.566 295 HB THR 41 HB THR 41 -1.642 11.459 8.551 296 HG1 THR 41 1HG THR 41 -3.384 10.072 8.570 297 HG21 THR 41 3HG2 THR 41 -3.845 12.512 8.477 298 HG22 THR 41 1HG2 THR 41 -3.880 12.361 6.718 299 HG23 THR 41 2HG2 THR 41 -2.714 13.439 7.491 300 H SER 42 H SER 42 1.016 10.635 7.037 301 HA SER 42 HA SER 42 2.090 12.995 8.025 302 HB2 SER 42 2HB SER 42 3.288 11.044 8.550 303 HB3 SER 42 1HB SER 42 3.255 10.461 6.888 304 HG SER 42 HG SER 42 4.823 12.483 8.062 305 H TYR 43 H TYR 43 1.631 11.876 4.754 306 HA TYR 43 HA TYR 43 3.499 13.668 3.518 307 HB2 TYR 43 2HB TYR 43 1.096 12.485 2.143 308 HB3 TYR 43 1HB TYR 43 2.685 12.833 1.479 309 HD1 TYR 43 2HD TYR 43 4.261 11.618 3.922 310 HD2 TYR 43 1HD TYR 43 1.046 10.180 1.452 311 HE1 TYR 43 2HE TYR 43 4.941 9.287 4.368 312 HE2 TYR 43 1HE TYR 43 1.745 7.857 1.917 313 HH TYR 43 HH TYR 43 4.629 7.121 3.733 314 H GLY 44 H GLY 44 0.636 14.210 5.100 315 HA2 GLY 44 2HA GLY 44 -0.720 16.056 5.266 316 HA3 GLY 44 1HA GLY 44 0.567 16.933 4.444 317 H LEU 45 H LEU 45 -0.527 14.251 2.693 318 HA LEU 45 HA LEU 45 -1.358 15.700 0.469 319 HB2 LEU 45 2HB LEU 45 -2.109 13.635 -0.423 320 HB3 LEU 45 1HB LEU 45 -0.729 13.248 0.596 321 HG LEU 45 HG LEU 45 -3.662 12.930 1.338 322 HD11 LEU 45 1HD1 LEU 45 -1.535 10.787 1.152 323 HD12 LEU 45 2HD1 LEU 45 -2.496 11.252 -0.245 324 HD13 LEU 45 3HD1 LEU 45 -3.287 10.590 1.183 325 HD21 LEU 45 3HD2 LEU 45 -2.438 13.549 3.343 326 HD22 LEU 45 1HD2 LEU 45 -1.126 12.450 2.940 327 HD23 LEU 45 2HD2 LEU 45 -2.714 11.833 3.397 328 H ASP 46 H ASP 46 -3.273 16.501 -0.253 329 HA ASP 46 HA ASP 46 -5.297 17.134 1.620 330 HB2 ASP 46 2HB ASP 46 -4.794 18.439 -0.433 331 HB3 ASP 46 1HB ASP 46 -5.481 17.134 -1.389 332 H SER 47 H SER 47 -7.721 16.606 0.964 333 HA SER 47 HA SER 47 -8.090 13.806 1.378 334 HB2 SER 47 2HB SER 47 -10.497 14.374 1.230 335 HB3 SER 47 1HB SER 47 -9.624 15.445 2.324 336 HG SER 47 HG SER 47 -9.404 16.836 0.386 337 H VAL 48 H VAL 48 -8.326 15.937 -1.417 338 HA VAL 48 HA VAL 48 -9.631 14.091 -3.143 339 HB VAL 48 HB VAL 48 -9.079 15.607 -4.920 340 HG11 VAL 48 1HG1 VAL 48 -10.670 16.353 -3.068 341 HG12 VAL 48 2HG1 VAL 48 -9.983 17.644 -4.053 342 HG13 VAL 48 3HG1 VAL 48 -9.337 17.323 -2.443 343 HG21 VAL 48 3HG2 VAL 48 -7.472 17.546 -4.372 344 HG22 VAL 48 1HG2 VAL 48 -6.739 15.967 -4.648 345 HG23 VAL 48 2HG2 VAL 48 -6.950 16.565 -3.008 346 H TYR 49 H TYR 49 -6.364 14.463 -2.080 347 HA TYR 49 HA TYR 49 -4.988 13.252 -4.208 348 HB2 TYR 49 2HB TYR 49 -4.384 14.190 -1.599 349 HB3 TYR 49 1HB TYR 49 -3.830 12.524 -1.635 350 HD1 TYR 49 2HD TYR 49 -3.898 15.446 -3.984 351 HD2 TYR 49 1HD TYR 49 -1.594 12.262 -2.255 352 HE1 TYR 49 2HE TYR 49 -1.923 16.158 -5.298 353 HE2 TYR 49 1HE TYR 49 0.379 12.975 -3.557 354 HH TYR 49 HH TYR 49 0.859 15.752 -4.813 355 H ALA 50 H ALA 50 -6.311 11.806 -1.241 356 HA ALA 50 HA ALA 50 -5.588 9.176 -1.696 357 HB1 ALA 50 1HB ALA 50 -8.090 10.291 -0.417 358 HB2 ALA 50 2HB ALA 50 -6.609 9.783 0.394 359 HB3 ALA 50 3HB ALA 50 -7.647 8.584 -0.376 360 H LEU 51 H LEU 51 -8.487 10.906 -2.838 361 HA LEU 51 HA LEU 51 -9.878 8.871 -3.990 362 HB2 LEU 51 2HB LEU 51 -10.318 11.423 -3.992 363 HB3 LEU 51 1HB LEU 51 -9.433 11.427 -5.514 364 HG LEU 51 HG LEU 51 -11.824 11.267 -5.927 365 HD11 LEU 51 1HD1 LEU 51 -10.729 8.521 -6.511 366 HD12 LEU 51 2HD1 LEU 51 -10.055 9.966 -7.288 367 HD13 LEU 51 3HD1 LEU 51 -11.757 9.547 -7.514 368 HD21 LEU 51 3HD2 LEU 51 -13.267 9.818 -4.885 369 HD22 LEU 51 1HD2 LEU 51 -12.051 9.904 -3.611 370 HD23 LEU 51 2HD2 LEU 51 -12.064 8.539 -4.730 371 H SER 52 H SER 52 -7.610 10.840 -5.920 372 HA SER 52 HA SER 52 -7.524 8.930 -8.016 373 HB2 SER 52 2HB SER 52 -7.085 11.434 -8.098 374 HB3 SER 52 1HB SER 52 -5.464 11.058 -7.490 375 HG SER 52 HG SER 52 -6.171 9.401 -9.509 376 H ILE 53 H ILE 53 -5.244 9.768 -5.429 377 HA ILE 53 HA ILE 53 -3.208 7.990 -6.214 378 HB ILE 53 HB ILE 53 -3.924 8.964 -3.440 379 HG12 ILE 53 2HG1 ILE 53 -3.481 10.666 -5.417 380 HG13 ILE 53 1HG1 ILE 53 -2.699 10.913 -3.856 381 HG21 ILE 53 1HG2 ILE 53 -1.362 8.663 -3.189 382 HG22 ILE 53 2HG2 ILE 53 -1.493 7.616 -4.603 383 HG23 ILE 53 3HG2 ILE 53 -2.381 7.228 -3.130 384 HD11 ILE 53 3HD1 ILE 53 -1.337 9.328 -6.031 385 HD12 ILE 53 1HD1 ILE 53 -0.616 10.134 -4.640 386 HD13 ILE 53 2HD1 ILE 53 -1.234 11.086 -5.988 387 H ALA 54 H ALA 54 -5.623 7.600 -3.613 388 HA ALA 54 HA ALA 54 -5.052 4.964 -2.965 389 HB1 ALA 54 1HB ALA 54 -7.140 4.870 -1.876 390 HB2 ALA 54 2HB ALA 54 -7.871 6.017 -2.993 391 HB3 ALA 54 3HB ALA 54 -6.681 6.569 -1.810 392 H ALA 55 H ALA 55 -6.996 6.268 -5.576 393 HA ALA 55 HA ALA 55 -8.122 3.787 -6.445 394 HB1 ALA 55 1HB ALA 55 -9.162 5.846 -7.135 395 HB2 ALA 55 2HB ALA 55 -8.552 5.035 -8.576 396 HB3 ALA 55 3HB ALA 55 -7.670 6.401 -7.894 397 H GLU 56 H GLU 56 -5.306 5.664 -7.542 398 HA GLU 56 HA GLU 56 -4.541 3.904 -9.614 399 HB2 GLU 56 2HB GLU 56 -2.964 5.868 -7.958 400 HB3 GLU 56 1HB GLU 56 -2.255 4.960 -9.294 401 HG2 GLU 56 2HG GLU 56 -3.872 5.901 -10.853 402 HG3 GLU 56 1HG GLU 56 -4.710 6.720 -9.541 403 H LEU 57 H LEU 57 -3.542 4.071 -6.217 404 HA LEU 57 HA LEU 57 -1.595 2.051 -6.243 405 HB2 LEU 57 2HB LEU 57 -3.495 2.927 -4.052 406 HB3 LEU 57 1HB LEU 57 -2.098 1.898 -3.786 407 HG LEU 57 HG LEU 57 -1.909 4.648 -5.045 408 HD11 LEU 57 1HD1 LEU 57 -2.758 4.959 -2.814 409 HD12 LEU 57 2HD1 LEU 57 -1.031 5.302 -2.763 410 HD13 LEU 57 3HD1 LEU 57 -1.644 3.760 -2.164 411 HD21 LEU 57 3HD2 LEU 57 0.471 4.407 -4.206 412 HD22 LEU 57 1HD2 LEU 57 0.047 3.315 -5.517 413 HD23 LEU 57 2HD2 LEU 57 0.095 2.722 -3.864 414 H GLU 58 H GLU 58 -4.992 1.768 -5.188 415 HA GLU 58 HA GLU 58 -4.901 -1.065 -5.015 416 HB2 GLU 58 2HB GLU 58 -7.384 -0.912 -4.969 417 HB3 GLU 58 1HB GLU 58 -6.583 0.142 -3.829 418 HG2 GLU 58 2HG GLU 58 -7.929 1.773 -4.727 419 HG3 GLU 58 1HG GLU 58 -6.744 1.794 -6.005 420 H ASP 59 H ASP 59 -5.777 1.131 -7.633 421 HA ASP 59 HA ASP 59 -6.969 -0.742 -9.362 422 HB2 ASP 59 2HB ASP 59 -7.206 1.607 -9.809 423 HB3 ASP 59 1HB ASP 59 -5.462 1.812 -9.935 424 H HIS 60 H HIS 60 -3.686 -0.205 -8.487 425 HA HIS 60 HA HIS 60 -2.521 -1.441 -10.816 426 HB2 HIS 60 2HB HIS 60 -1.520 -0.402 -8.212 427 HB3 HIS 60 1HB HIS 60 -0.541 -1.656 -8.963 428 HD1 HIS 60 1HD HIS 60 -2.378 1.452 -10.188 429 HD2 HIS 60 2HD HIS 60 1.290 -0.468 -10.630 430 HE1 HIS 60 1HE HIS 60 -1.018 2.876 -11.776 431 HE2 HIS 60 2HE HIS 60 1.227 1.718 -12.057 432 H LEU 61 H LEU 61 -3.615 -2.587 -7.667 433 HA LEU 61 HA LEU 61 -2.683 -5.315 -8.291 434 HB2 LEU 61 2HB LEU 61 -3.945 -4.365 -5.717 435 HB3 LEU 61 1HB LEU 61 -3.043 -5.840 -5.990 436 HG LEU 61 HG LEU 61 -1.562 -4.320 -4.885 437 HD11 LEU 61 1HD1 LEU 61 0.249 -4.257 -6.396 438 HD12 LEU 61 2HD1 LEU 61 -0.806 -4.016 -7.788 439 HD13 LEU 61 3HD1 LEU 61 -0.757 -5.586 -6.976 440 HD21 LEU 61 3HD2 LEU 61 -3.095 -2.323 -5.991 441 HD22 LEU 61 1HD2 LEU 61 -1.610 -2.180 -6.922 442 HD23 LEU 61 2HD2 LEU 61 -1.571 -2.073 -5.177 443 H ASP 62 H ASP 62 -5.063 -3.829 -9.514 444 HA ASP 62 HA ASP 62 -7.249 -4.267 -10.080 445 HB2 ASP 62 2HB ASP 62 -6.051 -6.993 -9.655 446 HB3 ASP 62 1HB ASP 62 -7.677 -6.765 -10.285 447 H VAL 63 H VAL 63 -7.465 -3.314 -7.709 448 HA VAL 63 HA VAL 63 -9.496 -4.947 -6.408 449 HB VAL 63 HB VAL 63 -8.340 -4.430 -4.140 450 HG11 VAL 63 1HG1 VAL 63 -7.093 -6.493 -4.228 451 HG12 VAL 63 2HG1 VAL 63 -6.987 -6.406 -5.984 452 HG13 VAL 63 3HG1 VAL 63 -8.544 -6.698 -5.208 453 HG21 VAL 63 3HG2 VAL 63 -6.582 -2.962 -4.852 454 HG22 VAL 63 1HG2 VAL 63 -6.071 -4.080 -6.108 455 HG23 VAL 63 2HG2 VAL 63 -5.811 -4.472 -4.409 456 H SER 64 H SER 64 -10.732 -3.714 -4.830 457 HA SER 64 HA SER 64 -10.577 -0.783 -5.272 458 HB2 SER 64 2HB SER 64 -12.545 -1.736 -6.362 459 HB3 SER 64 1HB SER 64 -13.014 -2.535 -4.864 460 HG SER 64 HG SER 64 -13.283 0.085 -5.650 461 H LEU 65 H LEU 65 -10.813 0.539 -3.505 462 HA LEU 65 HA LEU 65 -10.705 -0.791 -0.857 463 HB2 LEU 65 2HB LEU 65 -9.901 2.059 -1.454 464 HB3 LEU 65 1HB LEU 65 -9.438 1.050 -0.083 465 HG LEU 65 HG LEU 65 -8.644 0.602 -2.953 466 HD11 LEU 65 1HD1 LEU 65 -6.311 0.976 -1.711 467 HD12 LEU 65 2HD1 LEU 65 -7.319 1.885 -0.591 468 HD13 LEU 65 3HD1 LEU 65 -7.261 2.342 -2.293 469 HD21 LEU 65 3HD2 LEU 65 -7.091 -1.097 -1.825 470 HD22 LEU 65 1HD2 LEU 65 -8.795 -1.533 -1.949 471 HD23 LEU 65 2HD2 LEU 65 -8.147 -0.945 -0.416 472 H ASP 66 H ASP 66 -11.853 0.197 0.899 473 HA ASP 66 HA ASP 66 -14.331 1.461 -0.023 474 HB2 ASP 66 2HB ASP 66 -13.644 -0.452 2.048 475 HB3 ASP 66 1HB ASP 66 -14.562 0.890 2.731 476 HA PRO 67 HA PRO 67 -13.375 5.575 1.335 477 HB2 PRO 67 2HB PRO 67 -15.938 5.424 2.891 478 HB3 PRO 67 1HB PRO 67 -15.380 6.669 1.760 479 HG2 PRO 67 2HG PRO 67 -17.221 4.812 1.091 480 HG3 PRO 67 1HG PRO 67 -16.084 5.503 -0.080 481 HD2 PRO 67 2HD PRO 67 -16.138 2.763 1.063 482 HD3 PRO 67 1HD PRO 67 -15.354 3.368 -0.417 483 H THR 68 H THR 68 -15.233 4.270 4.082 484 HA THR 68 HA THR 68 -13.548 5.367 6.058 485 HB THR 68 HB THR 68 -14.791 3.872 7.613 486 HG1 THR 68 1HG THR 68 -15.573 2.789 5.145 487 HG21 THR 68 3HG2 THR 68 -16.297 5.432 5.511 488 HG22 THR 68 1HG2 THR 68 -15.865 5.937 7.145 489 HG23 THR 68 2HG2 THR 68 -17.111 4.713 6.899 490 H LEU 69 H LEU 69 -13.278 2.528 4.166 491 HA LEU 69 HA LEU 69 -11.637 1.028 5.981 492 HB2 LEU 69 2HB LEU 69 -12.939 -0.028 4.182 493 HB3 LEU 69 1HB LEU 69 -11.915 0.750 2.981 494 HG LEU 69 HG LEU 69 -10.757 -0.979 5.174 495 HD11 LEU 69 1HD1 LEU 69 -10.841 -2.883 3.644 496 HD12 LEU 69 2HD1 LEU 69 -11.660 -1.895 2.431 497 HD13 LEU 69 3HD1 LEU 69 -12.463 -2.271 3.954 498 HD21 LEU 69 3HD2 LEU 69 -9.684 0.429 2.807 499 HD22 LEU 69 1HD2 LEU 69 -9.211 -1.269 2.866 500 HD23 LEU 69 2HD2 LEU 69 -8.835 -0.208 4.218 501 H ILE 70 H ILE 70 -11.017 3.258 3.292 502 HA ILE 70 HA ILE 70 -8.245 2.867 3.101 503 HB ILE 70 HB ILE 70 -9.960 5.305 2.562 504 HG12 ILE 70 2HG1 ILE 70 -8.555 3.432 0.647 505 HG13 ILE 70 1HG1 ILE 70 -10.213 3.179 1.173 506 HG21 ILE 70 1HG2 ILE 70 -7.768 6.174 2.940 507 HG22 ILE 70 2HG2 ILE 70 -7.929 6.024 1.191 508 HG23 ILE 70 3HG2 ILE 70 -7.012 4.821 2.099 509 HD11 ILE 70 3HD1 ILE 70 -10.817 5.427 0.312 510 HD12 ILE 70 1HD1 ILE 70 -10.175 4.392 -0.964 511 HD13 ILE 70 2HD1 ILE 70 -9.156 5.644 -0.249 512 H TRP 71 H TRP 71 -10.150 4.982 5.194 513 HA TRP 71 HA TRP 71 -7.801 6.108 6.464 514 HB2 TRP 71 2HB TRP 71 -10.757 6.286 7.059 515 HB3 TRP 71 1HB TRP 71 -9.526 7.079 8.042 516 HD1 TRP 71 HD TRP 71 -11.609 7.608 5.056 517 HE1 TRP 71 1HE TRP 71 -10.797 9.661 3.723 518 HE3 TRP 71 3HE TRP 71 -7.074 8.362 7.278 519 HZ2 TRP 71 2HZ TRP 71 -8.519 11.391 3.612 520 HZ3 TRP 71 3HZ TRP 71 -5.604 10.216 6.539 521 HH2 TRP 71 HH TRP 71 -6.321 11.729 4.711 522 H ASP 72 H ASP 72 -9.406 3.176 6.677 523 HA ASP 72 HA ASP 72 -9.086 2.751 9.530 524 HB2 ASP 72 2HB ASP 72 -10.915 1.688 8.164 525 HB3 ASP 72 1HB ASP 72 -9.678 0.677 7.406 526 H HIS 73 H HIS 73 -7.444 1.855 6.547 527 HA HIS 73 HA HIS 73 -5.220 0.699 8.141 528 HB2 HIS 73 2HB HIS 73 -5.910 0.108 5.250 529 HB3 HIS 73 1HB HIS 73 -4.721 -0.723 6.261 530 HD1 HIS 73 1HD HIS 73 -6.747 -0.656 8.814 531 HD2 HIS 73 2HD HIS 73 -7.499 -2.254 5.038 532 HE1 HIS 73 1HE HIS 73 -8.611 -2.350 9.109 533 HE2 HIS 73 2HE HIS 73 -9.067 -3.343 6.817 534 HA PRO 74 HA PRO 74 -3.757 4.514 5.743 535 HB2 PRO 74 2HB PRO 74 -3.039 6.051 7.886 536 HB3 PRO 74 1HB PRO 74 -4.680 6.047 7.215 537 HG2 PRO 74 2HG PRO 74 -3.621 4.593 9.601 538 HG3 PRO 74 1HG PRO 74 -5.140 5.490 9.412 539 HD2 PRO 74 2HD PRO 74 -5.044 2.759 9.225 540 HD3 PRO 74 1HD PRO 74 -6.184 3.755 8.288 541 H THR 75 H THR 75 -2.605 2.165 7.826 542 HA THR 75 HA THR 75 0.219 3.030 7.549 543 HB THR 75 HB THR 75 0.596 1.214 9.307 544 HG1 THR 75 1HG THR 75 -1.095 0.214 10.021 545 HG21 THR 75 3HG2 THR 75 0.659 3.612 9.846 546 HG22 THR 75 1HG2 THR 75 -0.142 2.722 11.142 547 HG23 THR 75 2HG2 THR 75 -1.099 3.641 9.981 548 H ILE 76 H ILE 76 1.766 1.559 6.858 549 HA ILE 76 HA ILE 76 0.978 -0.080 4.684 550 HB ILE 76 HB ILE 76 3.628 -0.132 6.144 551 HG12 ILE 76 2HG1 ILE 76 3.230 2.170 5.583 552 HG13 ILE 76 1HG1 ILE 76 4.299 1.523 4.341 553 HG21 ILE 76 1HG2 ILE 76 2.745 -0.893 3.351 554 HG22 ILE 76 2HG2 ILE 76 3.466 -1.941 4.571 555 HG23 ILE 76 3HG2 ILE 76 4.435 -0.682 3.807 556 HD11 ILE 76 3HD1 ILE 76 2.136 1.051 3.010 557 HD12 ILE 76 1HD1 ILE 76 2.705 2.716 3.113 558 HD13 ILE 76 2HD1 ILE 76 1.371 2.171 4.131 559 H ASP 77 H ASP 77 2.003 -0.786 8.006 560 HA ASP 77 HA ASP 77 2.178 -3.540 7.898 561 HB2 ASP 77 2HB ASP 77 2.710 -2.250 9.906 562 HB3 ASP 77 1HB ASP 77 1.010 -1.839 10.111 563 H ALA 78 H ALA 78 -0.750 -1.566 8.465 564 HA ALA 78 HA ALA 78 -2.510 -3.798 8.605 565 HB1 ALA 78 1HB ALA 78 -4.284 -2.022 8.203 566 HB2 ALA 78 2HB ALA 78 -2.970 -0.848 8.102 567 HB3 ALA 78 3HB ALA 78 -3.239 -1.747 9.596 568 H LEU 79 H LEU 79 -1.662 -1.521 6.013 569 HA LEU 79 HA LEU 79 -3.438 -2.518 4.087 570 HB2 LEU 79 2HB LEU 79 -1.567 -0.498 4.203 571 HB3 LEU 79 1HB LEU 79 -0.851 -1.579 3.030 572 HG LEU 79 HG LEU 79 -2.243 -0.006 1.848 573 HD11 LEU 79 1HD1 LEU 79 -2.459 -2.713 1.503 574 HD12 LEU 79 2HD1 LEU 79 -3.199 -1.523 0.440 575 HD13 LEU 79 3HD1 LEU 79 -4.149 -2.280 1.721 576 HD21 LEU 79 3HD2 LEU 79 -4.220 0.808 2.649 577 HD22 LEU 79 1HD2 LEU 79 -3.805 0.007 4.160 578 HD23 LEU 79 2HD2 LEU 79 -4.850 -0.799 3.004 579 H SER 80 H SER 80 -0.021 -3.339 4.666 580 HA SER 80 HA SER 80 0.208 -5.252 2.631 581 HB2 SER 80 2HB SER 80 2.217 -4.481 3.606 582 HB3 SER 80 1HB SER 80 1.660 -4.836 5.238 583 HG SER 80 HG SER 80 2.678 -6.518 3.266 584 H THR 81 H THR 81 -0.634 -5.576 6.054 585 HA THR 81 HA THR 81 -0.907 -8.360 6.145 586 HB THR 81 HB THR 81 -2.427 -6.242 7.685 587 HG1 THR 81 1HG THR 81 -0.103 -6.310 7.870 588 HG21 THR 81 3HG2 THR 81 -3.638 -8.305 7.875 589 HG22 THR 81 1HG2 THR 81 -2.684 -8.137 9.349 590 HG23 THR 81 2HG2 THR 81 -2.148 -9.229 8.073 591 H ALA 82 H ALA 82 -3.251 -5.846 5.284 592 HA ALA 82 HA ALA 82 -5.418 -7.650 4.885 593 HB1 ALA 82 1HB ALA 82 -4.995 -4.909 3.676 594 HB2 ALA 82 2HB ALA 82 -5.686 -5.206 5.272 595 HB3 ALA 82 3HB ALA 82 -6.528 -5.767 3.827 596 H LEU 83 H LEU 83 -2.955 -6.235 2.705 597 HA LEU 83 HA LEU 83 -4.084 -7.159 0.310 598 HB2 LEU 83 2HB LEU 83 -2.016 -5.531 0.912 599 HB3 LEU 83 1HB LEU 83 -1.097 -6.991 0.545 600 HG LEU 83 HG LEU 83 -3.101 -5.612 -1.263 601 HD11 LEU 83 1HD1 LEU 83 -0.934 -5.535 -2.702 602 HD12 LEU 83 2HD1 LEU 83 -0.098 -5.833 -1.180 603 HD13 LEU 83 3HD1 LEU 83 -1.096 -4.394 -1.369 604 HD21 LEU 83 3HD2 LEU 83 -3.389 -7.887 -1.773 605 HD22 LEU 83 1HD2 LEU 83 -1.705 -8.276 -1.409 606 HD23 LEU 83 2HD2 LEU 83 -2.105 -7.410 -2.890 607 H VAL 84 H VAL 84 -1.525 -8.601 2.359 608 HA VAL 84 HA VAL 84 -1.231 -10.922 0.787 609 HB VAL 84 HB VAL 84 0.403 -10.157 2.490 610 HG11 VAL 84 1HG1 VAL 84 -1.316 -9.522 4.174 611 HG12 VAL 84 2HG1 VAL 84 -0.045 -10.520 4.851 612 HG13 VAL 84 3HG1 VAL 84 -1.619 -11.224 4.486 613 HG21 VAL 84 3HG2 VAL 84 0.714 -12.416 1.835 614 HG22 VAL 84 1HG2 VAL 84 -0.738 -12.956 2.675 615 HG23 VAL 84 2HG2 VAL 84 0.680 -12.483 3.600 616 H ALA 85 H ALA 85 -3.520 -10.000 3.293 617 HA ALA 85 HA ALA 85 -4.522 -12.524 3.916 618 HB1 ALA 85 1HB ALA 85 -5.076 -10.296 5.037 619 HB2 ALA 85 2HB ALA 85 -6.414 -11.417 4.811 620 HB3 ALA 85 3HB ALA 85 -6.224 -10.044 3.724 621 H GLU 86 H GLU 86 -5.081 -10.380 1.197 622 HA GLU 86 HA GLU 86 -7.358 -11.669 0.127 623 HB2 GLU 86 2HB GLU 86 -5.124 -10.277 -1.368 624 HB3 GLU 86 1HB GLU 86 -6.727 -10.649 -2.006 625 HG2 GLU 86 2HG GLU 86 -6.204 -8.922 0.417 626 HG3 GLU 86 1HG GLU 86 -6.533 -8.302 -1.194 627 H LEU 87 H LEU 87 -4.080 -12.674 0.302 628 HA LEU 87 HA LEU 87 -4.291 -14.582 -1.904 629 HB2 LEU 87 2HB LEU 87 -2.146 -13.439 -1.582 630 HB3 LEU 87 1HB LEU 87 -2.040 -14.066 0.062 631 HG LEU 87 HG LEU 87 -1.936 -16.364 -0.799 632 HD11 LEU 87 1HD1 LEU 87 -2.484 -14.968 -3.406 633 HD12 LEU 87 2HD1 LEU 87 -3.193 -16.452 -2.764 634 HD13 LEU 87 3HD1 LEU 87 -1.552 -16.467 -3.408 635 HD21 LEU 87 3HD2 LEU 87 -0.034 -14.371 -2.037 636 HD22 LEU 87 1HD2 LEU 87 0.244 -16.111 -2.084 637 HD23 LEU 87 2HD2 LEU 87 0.175 -15.268 -0.537 638 H ARG 88 H ARG 88 -4.834 -14.494 1.491 639 HA ARG 88 HA ARG 88 -4.216 -17.108 2.248 640 HB2 ARG 88 2HB ARG 88 -6.332 -15.173 3.181 641 HB3 ARG 88 1HB ARG 88 -6.124 -16.757 3.924 642 HG2 ARG 88 2HG ARG 88 -3.826 -16.235 4.505 643 HG3 ARG 88 1HG ARG 88 -3.909 -14.713 3.625 644 HD2 ARG 88 2HD ARG 88 -4.231 -14.225 5.976 645 HD3 ARG 88 1HD ARG 88 -5.778 -14.012 5.162 646 HE ARG 88 HE ARG 88 -5.569 -16.668 6.134 647 HH11 ARG 88 1HH2 ARG 88 -5.971 -13.381 7.145 648 HH12 ARG 88 2HH2 ARG 88 -6.852 -13.785 8.580 649 HH21 ARG 88 1HH1 ARG 88 -6.722 -17.204 8.016 650 HH22 ARG 88 2HH1 ARG 88 -7.277 -15.949 9.073 651 H SER 89 H SER 89 -7.157 -15.825 0.717 652 HA SER 89 HA SER 89 -8.565 -18.303 0.781 653 HB2 SER 89 2HB SER 89 -8.994 -16.013 -1.140 654 HB3 SER 89 1HB SER 89 -10.171 -17.220 -0.628 655 HG SER 89 HG SER 89 -10.307 -16.279 1.317 656 H ALA 90 H ALA 90 -8.912 -19.791 -0.882 657 HA ALA 90 HA ALA 90 -6.669 -20.352 -2.522 658 HB1 ALA 90 1HB ALA 90 -8.152 -22.107 -3.507 659 HB2 ALA 90 2HB ALA 90 -9.489 -21.450 -2.564 660 HB3 ALA 90 3HB ALA 90 -8.092 -22.150 -1.745 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -12.767 -12.840 -14.660 2 H2 GLY 1 2HT GLY 1 -13.365 -14.416 -14.875 3 H3 GLY 1 3HT GLY 1 -11.757 -14.051 -15.289 4 HA2 GLY 1 2HA GLY 1 -11.730 -13.320 -12.739 5 HA3 GLY 1 1HA GLY 1 -12.928 -14.612 -12.691 6 H HIS 2 H HIS 2 -9.719 -13.895 -14.075 7 HA HIS 2 HA HIS 2 -8.979 -16.606 -14.461 8 HB2 HIS 2 2HB HIS 2 -7.894 -14.663 -15.592 9 HB3 HIS 2 1HB HIS 2 -7.155 -14.225 -14.052 10 HD1 HIS 2 1HD HIS 2 -7.491 -17.528 -15.953 11 HD2 HIS 2 2HD HIS 2 -4.595 -15.236 -14.019 12 HE1 HIS 2 1HE HIS 2 -5.326 -18.832 -16.109 13 HE2 HIS 2 2HE HIS 2 -3.550 -17.448 -14.935 14 H MET 3 H MET 3 -7.414 -17.846 -13.280 15 HA MET 3 HA MET 3 -7.833 -17.746 -10.444 16 HB2 MET 3 2HB MET 3 -7.557 -19.868 -11.725 17 HB3 MET 3 1HB MET 3 -5.872 -19.435 -12.014 18 HG2 MET 3 2HG MET 3 -5.429 -19.405 -9.612 19 HG3 MET 3 1HG MET 3 -7.127 -19.734 -9.271 20 HE1 MET 3 3HE MET 3 -4.066 -20.820 -11.236 21 HE2 MET 3 1HE MET 3 -3.877 -22.529 -10.817 22 HE3 MET 3 2HE MET 3 -3.703 -21.291 -9.577 23 H SER 4 H SER 4 -4.752 -17.834 -12.243 24 HA SER 4 HA SER 4 -3.364 -16.546 -10.059 25 HB2 SER 4 2HB SER 4 -1.382 -16.839 -11.392 26 HB3 SER 4 1HB SER 4 -2.341 -18.310 -11.530 27 HG SER 4 HG SER 4 -1.753 -17.712 -13.581 28 H ASP 5 H ASP 5 -5.204 -14.765 -10.553 29 HA ASP 5 HA ASP 5 -4.985 -12.932 -12.600 30 HB2 ASP 5 2HB ASP 5 -5.579 -12.448 -9.672 31 HB3 ASP 5 1HB ASP 5 -5.818 -11.248 -10.939 32 H LEU 6 H LEU 6 -3.463 -12.506 -9.389 33 HA LEU 6 HA LEU 6 -1.809 -10.400 -10.233 34 HB2 LEU 6 2HB LEU 6 -2.437 -11.315 -7.817 35 HB3 LEU 6 1HB LEU 6 -0.944 -12.220 -8.009 36 HG LEU 6 HG LEU 6 -0.465 -10.114 -6.887 37 HD11 LEU 6 1HD1 LEU 6 1.051 -11.092 -8.729 38 HD12 LEU 6 2HD1 LEU 6 1.351 -9.439 -8.195 39 HD13 LEU 6 3HD1 LEU 6 0.493 -9.728 -9.707 40 HD21 LEU 6 3HD2 LEU 6 -2.549 -9.068 -8.330 41 HD22 LEU 6 1HD2 LEU 6 -1.171 -8.390 -9.199 42 HD23 LEU 6 2HD2 LEU 6 -1.357 -8.100 -7.471 43 H SER 7 H SER 7 -1.073 -13.851 -9.788 44 HA SER 7 HA SER 7 0.395 -15.187 -10.975 45 HB2 SER 7 2HB SER 7 -0.040 -13.313 -12.787 46 HB3 SER 7 1HB SER 7 1.626 -12.900 -12.433 47 HG SER 7 HG SER 7 0.554 -15.379 -13.295 48 H THR 8 H THR 8 2.992 -15.031 -11.517 49 HA THR 8 HA THR 8 5.036 -15.044 -10.549 50 HB THR 8 HB THR 8 4.325 -12.475 -9.149 51 HG1 THR 8 1HG THR 8 4.818 -12.902 -11.909 52 HG21 THR 8 3HG2 THR 8 6.813 -13.375 -10.632 53 HG22 THR 8 1HG2 THR 8 6.586 -13.537 -8.891 54 HG23 THR 8 2HG2 THR 8 6.646 -11.936 -9.627 55 H ALA 9 H ALA 9 2.236 -14.823 -8.599 56 HA ALA 9 HA ALA 9 1.750 -15.829 -6.588 57 HB1 ALA 9 1HB ALA 9 4.604 -16.577 -6.146 58 HB2 ALA 9 2HB ALA 9 3.647 -17.415 -7.367 59 HB3 ALA 9 3HB ALA 9 3.131 -17.428 -5.677 60 HA PRO 10 HA PRO 10 3.344 -11.740 -4.993 61 HB2 PRO 10 2HB PRO 10 0.986 -11.355 -3.480 62 HB3 PRO 10 1HB PRO 10 1.298 -10.700 -5.108 63 HG2 PRO 10 2HG PRO 10 -0.208 -13.131 -4.293 64 HG3 PRO 10 1HG PRO 10 -0.555 -11.967 -5.581 65 HD2 PRO 10 2HD PRO 10 0.459 -14.339 -6.152 66 HD3 PRO 10 1HD PRO 10 1.018 -12.909 -7.033 67 H THR 11 H THR 11 4.623 -11.632 -3.255 68 HA THR 11 HA THR 11 4.077 -13.422 -0.944 69 HB THR 11 HB THR 11 6.796 -12.392 -1.770 70 HG1 THR 11 1HG THR 11 6.384 -13.680 -3.417 71 HG21 THR 11 3HG2 THR 11 7.503 -14.361 -0.391 72 HG22 THR 11 1HG2 THR 11 5.812 -14.621 0.031 73 HG23 THR 11 2HG2 THR 11 6.627 -13.141 0.533 74 H LEU 12 H LEU 12 4.708 -12.623 1.135 75 HA LEU 12 HA LEU 12 3.735 -10.126 1.775 76 HB2 LEU 12 2HB LEU 12 5.681 -11.983 3.104 77 HB3 LEU 12 1HB LEU 12 5.350 -10.417 3.839 78 HG LEU 12 HG LEU 12 2.961 -12.007 2.979 79 HD11 LEU 12 1HD1 LEU 12 3.048 -13.252 5.195 80 HD12 LEU 12 2HD1 LEU 12 4.748 -12.791 5.294 81 HD13 LEU 12 3HD1 LEU 12 4.184 -13.811 3.968 82 HD21 LEU 12 3HD2 LEU 12 3.659 -10.382 5.449 83 HD22 LEU 12 1HD2 LEU 12 2.086 -11.097 5.119 84 HD23 LEU 12 2HD2 LEU 12 2.710 -9.822 4.072 85 H ASP 13 H ASP 13 7.110 -11.033 1.133 86 HA ASP 13 HA ASP 13 8.187 -8.473 1.663 87 HB2 ASP 13 2HB ASP 13 9.381 -10.371 -0.335 88 HB3 ASP 13 1HB ASP 13 10.194 -9.270 0.768 89 H SER 14 H SER 14 6.966 -9.995 -1.332 90 HA SER 14 HA SER 14 7.791 -7.915 -3.055 91 HB2 SER 14 2HB SER 14 6.171 -8.885 -4.611 92 HB3 SER 14 1HB SER 14 7.252 -10.087 -3.916 93 HG SER 14 HG SER 14 5.604 -10.637 -2.459 94 H LEU 15 H LEU 15 4.807 -8.475 -1.208 95 HA LEU 15 HA LEU 15 3.479 -6.205 -2.317 96 HB2 LEU 15 2HB LEU 15 2.962 -8.061 -0.019 97 HB3 LEU 15 1HB LEU 15 1.985 -6.608 -0.190 98 HG LEU 15 HG LEU 15 1.087 -7.310 -2.250 99 HD11 LEU 15 1HD1 LEU 15 3.356 -9.281 -2.342 100 HD12 LEU 15 2HD1 LEU 15 3.015 -8.009 -3.496 101 HD13 LEU 15 3HD1 LEU 15 1.975 -9.395 -3.385 102 HD21 LEU 15 3HD2 LEU 15 0.338 -8.611 -0.248 103 HD22 LEU 15 1HD2 LEU 15 1.520 -9.846 -0.661 104 HD23 LEU 15 2HD2 LEU 15 0.184 -9.520 -1.760 105 H ARG 16 H ARG 16 4.501 -6.786 1.009 106 HA ARG 16 HA ARG 16 4.321 -4.346 2.111 107 HB2 ARG 16 2HB ARG 16 5.290 -6.184 3.336 108 HB3 ARG 16 1HB ARG 16 6.713 -6.175 2.304 109 HG2 ARG 16 2HG ARG 16 6.098 -3.561 3.609 110 HG3 ARG 16 1HG ARG 16 6.560 -4.845 4.716 111 HD2 ARG 16 2HD ARG 16 8.596 -5.253 3.282 112 HD3 ARG 16 1HD ARG 16 8.159 -3.839 2.343 113 HE ARG 16 HE ARG 16 8.279 -3.235 5.131 114 HH11 ARG 16 1HH2 ARG 16 10.113 -3.804 2.258 115 HH12 ARG 16 2HH2 ARG 16 11.461 -2.839 2.760 116 HH21 ARG 16 1HH1 ARG 16 10.033 -1.969 5.800 117 HH22 ARG 16 2HH1 ARG 16 11.414 -1.797 4.770 118 H VAL 17 H VAL 17 7.169 -5.325 0.152 119 HA VAL 17 HA VAL 17 8.452 -2.821 0.164 120 HB VAL 17 HB VAL 17 9.724 -3.684 -1.743 121 HG11 VAL 17 1HG1 VAL 17 9.119 -5.464 0.610 122 HG12 VAL 17 2HG1 VAL 17 10.622 -4.662 0.177 123 HG13 VAL 17 3HG1 VAL 17 10.126 -6.130 -0.680 124 HG21 VAL 17 3HG2 VAL 17 7.408 -5.542 -1.847 125 HG22 VAL 17 1HG2 VAL 17 8.946 -6.075 -2.488 126 HG23 VAL 17 2HG2 VAL 17 8.141 -4.662 -3.167 127 H TRP 18 H TRP 18 5.944 -4.200 -1.952 128 HA TRP 18 HA TRP 18 5.991 -2.227 -3.963 129 HB2 TRP 18 2HB TRP 18 4.275 -3.479 -4.789 130 HB3 TRP 18 1HB TRP 18 4.426 -4.471 -3.356 131 HD1 TRP 18 HD TRP 18 2.418 -4.382 -1.620 132 HE1 TRP 18 1HE TRP 18 0.291 -3.041 -1.426 133 HE3 TRP 18 3HE TRP 18 3.119 -1.051 -5.436 134 HZ2 TRP 18 2HZ TRP 18 -0.986 -0.898 -2.670 135 HZ3 TRP 18 3HZ TRP 18 1.380 0.633 -5.893 136 HH2 TRP 18 HH TRP 18 -0.672 0.690 -4.501 137 H LEU 19 H LEU 19 4.045 -2.381 -0.984 138 HA LEU 19 HA LEU 19 2.608 -0.007 -1.323 139 HB2 LEU 19 2HB LEU 19 3.294 -1.833 0.880 140 HB3 LEU 19 1HB LEU 19 3.040 -0.188 1.424 141 HG LEU 19 HG LEU 19 0.982 -1.202 -0.478 142 HD11 LEU 19 1HD1 LEU 19 -0.182 -2.497 1.159 143 HD12 LEU 19 2HD1 LEU 19 1.072 -2.216 2.358 144 HD13 LEU 19 3HD1 LEU 19 1.409 -3.190 0.923 145 HD21 LEU 19 3HD2 LEU 19 0.528 0.068 2.208 146 HD22 LEU 19 1HD2 LEU 19 -0.426 0.203 0.735 147 HD23 LEU 19 2HD2 LEU 19 1.109 1.040 0.857 148 H VAL 20 H VAL 20 5.572 -0.433 0.691 149 HA VAL 20 HA VAL 20 5.899 2.313 1.140 150 HB VAL 20 HB VAL 20 7.057 0.666 2.486 151 HG11 VAL 20 1HG1 VAL 20 7.297 -0.908 0.445 152 HG12 VAL 20 2HG1 VAL 20 8.585 -0.911 1.639 153 HG13 VAL 20 3HG1 VAL 20 8.793 -0.038 0.120 154 HG21 VAL 20 3HG2 VAL 20 9.171 2.055 0.842 155 HG22 VAL 20 1HG2 VAL 20 9.210 1.673 2.562 156 HG23 VAL 20 2HG2 VAL 20 8.128 2.931 1.962 157 H ASP 21 H ASP 21 7.427 0.180 -1.280 158 HA ASP 21 HA ASP 21 9.000 2.123 -2.518 159 HB2 ASP 21 2HB ASP 21 9.198 -0.311 -2.937 160 HB3 ASP 21 1HB ASP 21 7.665 -0.271 -3.804 161 H CYS 22 H CYS 22 5.614 1.290 -2.964 162 HA CYS 22 HA CYS 22 5.123 2.731 -5.331 163 HB2 CYS 22 2HB CYS 22 3.470 1.196 -4.478 164 HB3 CYS 22 1HB CYS 22 3.303 2.119 -2.996 165 HG CYS 22 HG CYS 22 1.459 2.681 -4.969 166 H VAL 23 H VAL 23 4.769 3.722 -1.910 167 HA VAL 23 HA VAL 23 3.967 6.385 -2.489 168 HB VAL 23 HB VAL 23 5.496 5.406 -0.094 169 HG11 VAL 23 1HG1 VAL 23 4.760 7.315 1.037 170 HG12 VAL 23 2HG1 VAL 23 3.421 7.586 -0.074 171 HG13 VAL 23 3HG1 VAL 23 5.062 7.971 -0.565 172 HG21 VAL 23 3HG2 VAL 23 2.502 5.520 -0.489 173 HG22 VAL 23 1HG2 VAL 23 3.357 4.918 0.935 174 HG23 VAL 23 2HG2 VAL 23 3.459 4.046 -0.600 175 H ALA 24 H ALA 24 7.208 5.036 -1.637 176 HA ALA 24 HA ALA 24 8.747 7.293 -1.676 177 HB1 ALA 24 1HB ALA 24 9.461 4.863 -1.328 178 HB2 ALA 24 2HB ALA 24 10.600 5.909 -2.176 179 HB3 ALA 24 3HB ALA 24 9.604 4.772 -3.083 180 H GLY 25 H GLY 25 8.010 5.296 -4.524 181 HA2 GLY 25 2HA GLY 25 9.199 7.038 -6.399 182 HA3 GLY 25 1HA GLY 25 7.971 5.831 -6.777 183 H HIS 26 H HIS 26 5.851 6.796 -5.213 184 HA HIS 26 HA HIS 26 4.636 8.641 -6.905 185 HB2 HIS 26 2HB HIS 26 3.340 7.296 -5.362 186 HB3 HIS 26 1HB HIS 26 4.110 8.061 -3.995 187 HD1 HIS 26 1HD HIS 26 2.819 9.895 -7.038 188 HD2 HIS 26 2HD HIS 26 1.952 9.450 -2.987 189 HE1 HIS 26 1HE HIS 26 1.062 11.636 -6.496 190 HE2 HIS 26 2HE HIS 26 0.523 11.382 -4.026 191 H LEU 27 H LEU 27 6.039 9.286 -3.655 192 HA LEU 27 HA LEU 27 5.805 12.147 -4.098 193 HB2 LEU 27 2HB LEU 27 6.826 10.413 -1.865 194 HB3 LEU 27 1HB LEU 27 6.955 12.174 -1.815 195 HG LEU 27 HG LEU 27 4.356 10.672 -2.246 196 HD11 LEU 27 1HD1 LEU 27 5.418 10.241 0.004 197 HD12 LEU 27 2HD1 LEU 27 3.849 11.045 0.084 198 HD13 LEU 27 3HD1 LEU 27 5.329 11.976 0.313 199 HD21 LEU 27 3HD2 LEU 27 5.117 13.570 -1.937 200 HD22 LEU 27 1HD2 LEU 27 3.559 13.034 -1.311 201 HD23 LEU 27 2HD2 LEU 27 3.932 12.834 -3.015 202 H GLY 28 H GLY 28 8.325 9.696 -4.065 203 HA2 GLY 28 2HA GLY 28 10.264 9.847 -5.432 204 HA3 GLY 28 1HA GLY 28 10.188 11.601 -5.319 205 H LEU 29 H LEU 29 9.519 10.691 -2.261 206 HA LEU 29 HA LEU 29 12.095 11.368 -1.275 207 HB2 LEU 29 2HB LEU 29 9.811 10.076 0.225 208 HB3 LEU 29 1HB LEU 29 11.141 10.993 0.920 209 HG LEU 29 HG LEU 29 9.094 12.088 -1.015 210 HD11 LEU 29 1HD1 LEU 29 8.141 11.568 1.212 211 HD12 LEU 29 2HD1 LEU 29 8.200 13.305 0.920 212 HD13 LEU 29 3HD1 LEU 29 9.401 12.546 1.966 213 HD21 LEU 29 3HD2 LEU 29 11.501 13.261 0.372 214 HD22 LEU 29 1HD2 LEU 29 10.141 14.294 -0.066 215 HD23 LEU 29 2HD2 LEU 29 11.014 13.415 -1.317 216 H ASP 30 H ASP 30 12.838 9.797 0.677 217 HA ASP 30 HA ASP 30 13.815 7.424 -0.692 218 HB2 ASP 30 2HB ASP 30 14.393 8.751 1.942 219 HB3 ASP 30 1HB ASP 30 14.963 7.112 1.631 220 H ALA 31 H ALA 31 13.134 5.397 -0.422 221 HA ALA 31 HA ALA 31 10.666 4.793 0.774 222 HB1 ALA 31 1HB ALA 31 11.444 2.395 0.505 223 HB2 ALA 31 2HB ALA 31 12.924 3.068 -0.177 224 HB3 ALA 31 3HB ALA 31 11.372 3.377 -0.955 225 H ALA 32 H ALA 32 13.980 4.515 1.987 226 HA ALA 32 HA ALA 32 13.371 2.975 4.280 227 HB1 ALA 32 1HB ALA 32 15.637 4.930 3.845 228 HB2 ALA 32 2HB ALA 32 15.642 3.245 3.323 229 HB3 ALA 32 3HB ALA 32 15.582 3.636 5.041 230 H THR 33 H THR 33 12.605 6.175 3.496 231 HA THR 33 HA THR 33 11.955 6.723 6.327 232 HB THR 33 HB THR 33 12.566 9.200 5.650 233 HG1 THR 33 1HG THR 33 13.204 9.044 3.622 234 HG21 THR 33 3HG2 THR 33 14.429 6.964 6.460 235 HG22 THR 33 1HG2 THR 33 13.753 8.253 7.458 236 HG23 THR 33 2HG2 THR 33 15.029 8.613 6.296 237 H ILE 34 H ILE 34 10.317 5.736 4.165 238 HA ILE 34 HA ILE 34 8.787 7.973 3.182 239 HB ILE 34 HB ILE 34 8.613 5.004 3.039 240 HG12 ILE 34 2HG1 ILE 34 9.617 6.563 1.336 241 HG13 ILE 34 1HG1 ILE 34 8.422 5.441 0.696 242 HG21 ILE 34 1HG2 ILE 34 6.169 6.763 2.815 243 HG22 ILE 34 2HG2 ILE 34 6.338 5.234 3.680 244 HG23 ILE 34 3HG2 ILE 34 6.314 5.244 1.941 245 HD11 ILE 34 3HD1 ILE 34 7.173 7.946 1.561 246 HD12 ILE 34 1HD1 ILE 34 7.147 7.164 -0.015 247 HD13 ILE 34 2HD1 ILE 34 8.469 8.238 0.420 248 H ALA 35 H ALA 35 7.572 5.310 5.168 249 HA ALA 35 HA ALA 35 6.785 6.641 7.440 250 HB1 ALA 35 1HB ALA 35 4.979 7.132 5.089 251 HB2 ALA 35 2HB ALA 35 5.408 8.223 6.412 252 HB3 ALA 35 3HB ALA 35 4.247 6.934 6.681 253 H THR 36 H THR 36 7.306 3.948 5.966 254 HA THR 36 HA THR 36 5.309 2.171 5.892 255 HB THR 36 HB THR 36 6.848 0.479 6.515 256 HG1 THR 36 1HG THR 36 8.564 0.937 7.921 257 HG21 THR 36 3HG2 THR 36 8.861 1.090 5.378 258 HG22 THR 36 1HG2 THR 36 8.657 2.794 5.787 259 HG23 THR 36 2HG2 THR 36 7.578 2.032 4.618 260 H ASP 37 H ASP 37 6.568 3.623 8.894 261 HA ASP 37 HA ASP 37 4.636 2.093 10.482 262 HB2 ASP 37 2HB ASP 37 7.049 2.392 11.185 263 HB3 ASP 37 1HB ASP 37 6.693 4.105 11.407 264 H LEU 38 H LEU 38 5.076 5.182 9.018 265 HA LEU 38 HA LEU 38 3.071 6.437 10.756 266 HB2 LEU 38 2HB LEU 38 5.083 7.463 8.786 267 HB3 LEU 38 1HB LEU 38 3.721 8.475 9.210 268 HG LEU 38 HG LEU 38 5.361 7.170 11.384 269 HD11 LEU 38 1HD1 LEU 38 7.074 8.209 10.108 270 HD12 LEU 38 2HD1 LEU 38 6.697 9.344 11.405 271 HD13 LEU 38 3HD1 LEU 38 6.074 9.623 9.776 272 HD21 LEU 38 3HD2 LEU 38 3.370 8.282 12.138 273 HD22 LEU 38 1HD2 LEU 38 3.694 9.689 11.127 274 HD23 LEU 38 2HD2 LEU 38 4.714 9.349 12.525 275 HA PRO 39 HA PRO 39 -0.162 5.978 7.803 276 HB2 PRO 39 2HB PRO 39 -1.593 8.298 8.217 277 HB3 PRO 39 1HB PRO 39 -1.614 6.921 9.334 278 HG2 PRO 39 2HG PRO 39 -0.053 9.464 9.495 279 HG3 PRO 39 1HG PRO 39 -0.896 8.576 10.779 280 HD2 PRO 39 2HD PRO 39 1.790 8.410 10.444 281 HD3 PRO 39 1HD PRO 39 0.832 7.045 11.045 282 H LEU 40 H LEU 40 -1.355 7.346 6.055 283 HA LEU 40 HA LEU 40 0.637 8.329 4.220 284 HB2 LEU 40 2HB LEU 40 -1.119 8.434 2.607 285 HB3 LEU 40 1HB LEU 40 -1.408 6.985 3.561 286 HG LEU 40 HG LEU 40 -2.771 9.648 4.074 287 HD11 LEU 40 1HD1 LEU 40 -4.662 8.859 2.950 288 HD12 LEU 40 2HD1 LEU 40 -4.052 7.203 2.901 289 HD13 LEU 40 3HD1 LEU 40 -3.321 8.444 1.884 290 HD21 LEU 40 3HD2 LEU 40 -2.953 6.906 5.284 291 HD22 LEU 40 1HD2 LEU 40 -4.322 8.015 5.357 292 HD23 LEU 40 2HD2 LEU 40 -2.791 8.462 6.095 293 H THR 41 H THR 41 -1.600 9.712 6.463 294 HA THR 41 HA THR 41 -2.033 12.235 5.432 295 HB THR 41 HB THR 41 -1.455 11.744 8.352 296 HG1 THR 41 1HG THR 41 -2.883 10.155 7.303 297 HG21 THR 41 3HG2 THR 41 -1.918 14.072 7.465 298 HG22 THR 41 1HG2 THR 41 -3.054 13.508 8.691 299 HG23 THR 41 2HG2 THR 41 -3.515 13.492 6.990 300 H SER 42 H SER 42 0.844 10.927 7.002 301 HA SER 42 HA SER 42 2.266 13.149 7.664 302 HB2 SER 42 2HB SER 42 3.260 11.015 8.055 303 HB3 SER 42 1HB SER 42 3.142 10.574 6.352 304 HG SER 42 HG SER 42 4.957 11.562 6.008 305 H TYR 43 H TYR 43 1.596 11.943 4.413 306 HA TYR 43 HA TYR 43 3.454 13.660 3.067 307 HB2 TYR 43 2HB TYR 43 0.967 12.489 1.843 308 HB3 TYR 43 1HB TYR 43 2.508 12.808 1.079 309 HD1 TYR 43 1HD TYR 43 4.329 11.660 3.253 310 HD2 TYR 43 2HD TYR 43 0.748 10.156 1.405 311 HE1 TYR 43 1HE TYR 43 5.048 9.358 3.742 312 HE2 TYR 43 2HE TYR 43 1.482 7.842 1.901 313 HH TYR 43 HH TYR 43 2.936 6.651 3.343 314 H GLY 44 H GLY 44 0.643 14.318 4.702 315 HA2 GLY 44 2HA GLY 44 -0.636 16.212 4.895 316 HA3 GLY 44 1HA GLY 44 0.629 17.040 3.990 317 H LEU 45 H LEU 45 -0.872 14.280 2.563 318 HA LEU 45 HA LEU 45 -1.770 15.777 0.320 319 HB2 LEU 45 2HB LEU 45 -2.468 13.705 -0.572 320 HB3 LEU 45 1HB LEU 45 -1.014 13.352 0.347 321 HG LEU 45 HG LEU 45 -3.873 12.897 1.298 322 HD11 LEU 45 1HD1 LEU 45 -1.755 10.800 0.879 323 HD12 LEU 45 2HD1 LEU 45 -2.798 11.316 -0.444 324 HD13 LEU 45 3HD1 LEU 45 -3.504 10.606 1.007 325 HD21 LEU 45 3HD2 LEU 45 -2.621 11.708 3.187 326 HD22 LEU 45 1HD2 LEU 45 -2.561 13.457 3.227 327 HD23 LEU 45 2HD2 LEU 45 -1.186 12.547 2.631 328 H ASP 46 H ASP 46 -3.741 16.559 -0.200 329 HA ASP 46 HA ASP 46 -5.674 16.990 1.820 330 HB2 ASP 46 2HB ASP 46 -5.784 17.259 -1.181 331 HB3 ASP 46 1HB ASP 46 -7.131 17.703 -0.132 332 H SER 47 H SER 47 -8.082 16.394 1.363 333 HA SER 47 HA SER 47 -8.325 13.569 1.606 334 HB2 SER 47 2HB SER 47 -10.342 15.794 1.331 335 HB3 SER 47 1HB SER 47 -10.814 14.105 1.490 336 HG SER 47 HG SER 47 -9.451 15.777 3.307 337 H VAL 48 H VAL 48 -8.798 15.843 -1.027 338 HA VAL 48 HA VAL 48 -10.151 14.075 -2.793 339 HB VAL 48 HB VAL 48 -9.548 15.695 -4.541 340 HG11 VAL 48 1HG1 VAL 48 -10.464 17.756 -3.350 341 HG12 VAL 48 2HG1 VAL 48 -10.420 16.809 -1.863 342 HG13 VAL 48 3HG1 VAL 48 -11.443 16.296 -3.204 343 HG21 VAL 48 3HG2 VAL 48 -7.272 16.222 -3.952 344 HG22 VAL 48 1HG2 VAL 48 -7.757 16.794 -2.357 345 HG23 VAL 48 2HG2 VAL 48 -8.199 17.714 -3.795 346 H TYR 49 H TYR 49 -6.846 14.468 -1.881 347 HA TYR 49 HA TYR 49 -5.615 13.339 -4.163 348 HB2 TYR 49 2HB TYR 49 -4.763 14.386 -1.693 349 HB3 TYR 49 1HB TYR 49 -4.222 12.714 -1.658 350 HD1 TYR 49 1HD TYR 49 -4.494 15.418 -4.242 351 HD2 TYR 49 2HD TYR 49 -2.017 12.428 -2.410 352 HE1 TYR 49 1HE TYR 49 -2.642 16.007 -5.778 353 HE2 TYR 49 2HE TYR 49 -0.172 13.018 -3.928 354 HH TYR 49 HH TYR 49 -0.647 15.210 -6.632 355 H ALA 50 H ALA 50 -6.635 11.867 -1.090 356 HA ALA 50 HA ALA 50 -5.798 9.274 -1.502 357 HB1 ALA 50 1HB ALA 50 -6.981 10.259 0.538 358 HB2 ALA 50 2HB ALA 50 -7.415 8.606 0.103 359 HB3 ALA 50 3HB ALA 50 -8.490 9.940 -0.315 360 H LEU 51 H LEU 51 -8.754 10.833 -2.670 361 HA LEU 51 HA LEU 51 -10.042 8.634 -3.755 362 HB2 LEU 51 2HB LEU 51 -11.017 10.886 -3.646 363 HB3 LEU 51 1HB LEU 51 -9.892 11.439 -4.881 364 HG LEU 51 HG LEU 51 -11.416 9.010 -5.667 365 HD11 LEU 51 1HD1 LEU 51 -13.248 9.997 -4.511 366 HD12 LEU 51 2HD1 LEU 51 -13.464 10.427 -6.208 367 HD13 LEU 51 3HD1 LEU 51 -12.826 11.614 -5.068 368 HD21 LEU 51 3HD2 LEU 51 -11.457 10.078 -7.786 369 HD22 LEU 51 1HD2 LEU 51 -9.911 10.563 -7.091 370 HD23 LEU 51 2HD2 LEU 51 -11.270 11.683 -7.076 371 H SER 52 H SER 52 -7.872 10.867 -5.532 372 HA SER 52 HA SER 52 -7.748 9.241 -7.854 373 HB2 SER 52 2HB SER 52 -7.249 11.669 -7.828 374 HB3 SER 52 1HB SER 52 -5.787 11.337 -6.888 375 HG SER 52 HG SER 52 -4.840 10.683 -8.649 376 H ILE 53 H ILE 53 -5.508 9.712 -5.139 377 HA ILE 53 HA ILE 53 -3.504 7.963 -6.066 378 HB ILE 53 HB ILE 53 -4.228 8.630 -3.206 379 HG12 ILE 53 2HG1 ILE 53 -3.754 10.559 -4.972 380 HG13 ILE 53 1HG1 ILE 53 -2.990 10.598 -3.385 381 HG21 ILE 53 1HG2 ILE 53 -2.681 6.828 -3.162 382 HG22 ILE 53 2HG2 ILE 53 -1.689 8.271 -2.955 383 HG23 ILE 53 3HG2 ILE 53 -1.767 7.479 -4.525 384 HD11 ILE 53 3HD1 ILE 53 -1.622 9.263 -5.717 385 HD12 ILE 53 1HD1 ILE 53 -0.922 9.871 -4.223 386 HD13 ILE 53 2HD1 ILE 53 -1.484 11.002 -5.455 387 H ALA 54 H ALA 54 -5.885 7.370 -3.469 388 HA ALA 54 HA ALA 54 -5.405 4.695 -3.070 389 HB1 ALA 54 1HB ALA 54 -7.037 6.158 -1.810 390 HB2 ALA 54 2HB ALA 54 -7.625 4.535 -2.174 391 HB3 ALA 54 3HB ALA 54 -8.175 5.907 -3.135 392 H ALA 55 H ALA 55 -7.267 6.225 -5.653 393 HA ALA 55 HA ALA 55 -8.347 3.805 -6.723 394 HB1 ALA 55 1HB ALA 55 -7.904 6.554 -7.875 395 HB2 ALA 55 2HB ALA 55 -9.422 5.820 -7.358 396 HB3 ALA 55 3HB ALA 55 -8.614 5.242 -8.814 397 H GLU 56 H GLU 56 -5.460 5.716 -7.483 398 HA GLU 56 HA GLU 56 -4.611 4.107 -9.671 399 HB2 GLU 56 2HB GLU 56 -3.136 6.002 -7.839 400 HB3 GLU 56 1HB GLU 56 -2.364 5.197 -9.205 401 HG2 GLU 56 2HG GLU 56 -4.874 6.870 -9.460 402 HG3 GLU 56 1HG GLU 56 -3.253 7.511 -9.711 403 H LEU 57 H LEU 57 -3.639 4.155 -6.250 404 HA LEU 57 HA LEU 57 -1.696 2.115 -6.340 405 HB2 LEU 57 2HB LEU 57 -3.499 3.233 -4.188 406 HB3 LEU 57 1HB LEU 57 -2.563 1.784 -3.852 407 HG LEU 57 HG LEU 57 -0.483 2.948 -4.502 408 HD11 LEU 57 1HD1 LEU 57 -1.349 4.507 -6.131 409 HD12 LEU 57 2HD1 LEU 57 -0.558 5.410 -4.840 410 HD13 LEU 57 3HD1 LEU 57 -2.308 5.301 -4.890 411 HD21 LEU 57 3HD2 LEU 57 -1.257 3.006 -2.153 412 HD22 LEU 57 1HD2 LEU 57 -2.123 4.506 -2.491 413 HD23 LEU 57 2HD2 LEU 57 -0.362 4.463 -2.584 414 H GLU 58 H GLU 58 -5.103 1.839 -5.345 415 HA GLU 58 HA GLU 58 -5.074 -0.981 -5.204 416 HB2 GLU 58 2HB GLU 58 -7.487 -0.843 -5.183 417 HB3 GLU 58 1HB GLU 58 -6.783 0.412 -4.170 418 HG2 GLU 58 2HG GLU 58 -8.259 1.750 -5.320 419 HG3 GLU 58 1HG GLU 58 -6.951 1.773 -6.477 420 H ASP 59 H ASP 59 -5.759 1.198 -7.882 421 HA ASP 59 HA ASP 59 -6.889 -0.655 -9.667 422 HB2 ASP 59 2HB ASP 59 -5.380 1.924 -9.994 423 HB3 ASP 59 1HB ASP 59 -5.765 0.970 -11.419 424 H HIS 60 H HIS 60 -3.646 -0.210 -8.576 425 HA HIS 60 HA HIS 60 -2.433 -1.648 -10.789 426 HB2 HIS 60 2HB HIS 60 -1.496 -0.409 -8.256 427 HB3 HIS 60 1HB HIS 60 -0.525 -1.751 -8.847 428 HD1 HIS 60 1HD HIS 60 -2.353 0.885 -10.866 429 HD2 HIS 60 2HD HIS 60 1.533 -0.385 -10.079 430 HE1 HIS 60 1HE HIS 60 -0.846 2.218 -12.401 431 HE2 HIS 60 2HE HIS 60 1.532 1.453 -11.932 432 H LEU 61 H LEU 61 -3.666 -2.482 -7.597 433 HA LEU 61 HA LEU 61 -2.800 -5.281 -7.959 434 HB2 LEU 61 2HB LEU 61 -4.071 -4.047 -5.514 435 HB3 LEU 61 1HB LEU 61 -3.243 -5.585 -5.617 436 HG LEU 61 HG LEU 61 -1.705 -4.055 -4.622 437 HD11 LEU 61 1HD1 LEU 61 0.134 -4.198 -6.100 438 HD12 LEU 61 2HD1 LEU 61 -0.885 -4.016 -7.525 439 HD13 LEU 61 3HD1 LEU 61 -0.922 -5.520 -6.597 440 HD21 LEU 61 3HD2 LEU 61 -3.129 -2.094 -5.919 441 HD22 LEU 61 1HD2 LEU 61 -1.623 -2.091 -6.818 442 HD23 LEU 61 2HD2 LEU 61 -1.611 -1.839 -5.093 443 H ASP 62 H ASP 62 -5.141 -3.716 -9.252 444 HA ASP 62 HA ASP 62 -7.367 -4.076 -9.730 445 HB2 ASP 62 2HB ASP 62 -6.163 -6.826 -9.566 446 HB3 ASP 62 1HB ASP 62 -7.789 -6.525 -10.160 447 H VAL 63 H VAL 63 -7.646 -3.315 -7.333 448 HA VAL 63 HA VAL 63 -9.497 -5.213 -6.073 449 HB VAL 63 HB VAL 63 -8.408 -4.485 -3.809 450 HG11 VAL 63 1HG1 VAL 63 -8.369 -6.776 -4.586 451 HG12 VAL 63 2HG1 VAL 63 -6.762 -6.346 -4.000 452 HG13 VAL 63 3HG1 VAL 63 -7.082 -6.404 -5.735 453 HG21 VAL 63 3HG2 VAL 63 -6.237 -3.880 -5.830 454 HG22 VAL 63 1HG2 VAL 63 -5.877 -4.260 -4.147 455 HG23 VAL 63 2HG2 VAL 63 -6.840 -2.850 -4.540 456 H SER 64 H SER 64 -11.039 -4.205 -4.706 457 HA SER 64 HA SER 64 -11.335 -1.306 -5.196 458 HB2 SER 64 2HB SER 64 -13.316 -3.502 -4.635 459 HB3 SER 64 1HB SER 64 -13.738 -1.794 -4.573 460 HG SER 64 HG SER 64 -12.409 -2.144 -6.804 461 H LEU 65 H LEU 65 -11.015 -0.006 -3.542 462 HA LEU 65 HA LEU 65 -11.051 -1.108 -0.799 463 HB2 LEU 65 2HB LEU 65 -9.720 1.316 -2.011 464 HB3 LEU 65 1HB LEU 65 -9.809 1.031 -0.273 465 HG LEU 65 HG LEU 65 -8.742 -1.198 -0.637 466 HD11 LEU 65 1HD1 LEU 65 -7.478 -1.267 -2.931 467 HD12 LEU 65 2HD1 LEU 65 -8.850 -0.278 -3.465 468 HD13 LEU 65 3HD1 LEU 65 -9.107 -1.877 -2.777 469 HD21 LEU 65 3HD2 LEU 65 -6.527 -0.311 -0.756 470 HD22 LEU 65 1HD2 LEU 65 -7.490 1.039 -0.158 471 HD23 LEU 65 2HD2 LEU 65 -7.015 0.978 -1.860 472 H ASP 66 H ASP 66 -11.979 0.168 0.897 473 HA ASP 66 HA ASP 66 -14.359 1.556 -0.063 474 HB2 ASP 66 2HB ASP 66 -13.767 -0.184 2.182 475 HB3 ASP 66 1HB ASP 66 -14.587 1.278 2.721 476 HA PRO 67 HA PRO 67 -12.982 5.629 1.032 477 HB2 PRO 67 2HB PRO 67 -15.614 5.963 2.424 478 HB3 PRO 67 1HB PRO 67 -14.870 6.969 1.168 479 HG2 PRO 67 2HG PRO 67 -16.902 5.301 0.637 480 HG3 PRO 67 1HG PRO 67 -15.609 5.617 -0.535 481 HD2 PRO 67 2HD PRO 67 -16.084 3.179 1.126 482 HD3 PRO 67 1HD PRO 67 -15.328 3.355 -0.475 483 H THR 68 H THR 68 -15.128 4.694 3.724 484 HA THR 68 HA THR 68 -13.522 5.853 5.728 485 HB THR 68 HB THR 68 -14.951 4.544 7.299 486 HG1 THR 68 1HG THR 68 -15.927 3.484 4.857 487 HG21 THR 68 3HG2 THR 68 -16.464 5.840 5.014 488 HG22 THR 68 1HG2 THR 68 -15.702 6.711 6.344 489 HG23 THR 68 2HG2 THR 68 -17.053 5.623 6.661 490 H LEU 69 H LEU 69 -13.317 2.852 4.085 491 HA LEU 69 HA LEU 69 -11.894 1.392 6.097 492 HB2 LEU 69 2HB LEU 69 -13.085 0.271 4.289 493 HB3 LEU 69 1HB LEU 69 -12.002 0.987 3.102 494 HG LEU 69 HG LEU 69 -10.941 -0.652 5.409 495 HD11 LEU 69 1HD1 LEU 69 -12.607 -2.020 4.256 496 HD12 LEU 69 2HD1 LEU 69 -10.980 -2.624 3.934 497 HD13 LEU 69 3HD1 LEU 69 -11.835 -1.685 2.707 498 HD21 LEU 69 3HD2 LEU 69 -9.790 0.608 2.989 499 HD22 LEU 69 1HD2 LEU 69 -9.340 -1.086 3.160 500 HD23 LEU 69 2HD2 LEU 69 -8.989 0.050 4.458 501 H ILE 70 H ILE 70 -10.914 3.351 3.299 502 HA ILE 70 HA ILE 70 -8.178 2.847 3.339 503 HB ILE 70 HB ILE 70 -9.720 5.352 2.641 504 HG12 ILE 70 2HG1 ILE 70 -8.263 3.462 0.781 505 HG13 ILE 70 1HG1 ILE 70 -9.901 3.111 1.313 506 HG21 ILE 70 1HG2 ILE 70 -7.546 5.913 1.383 507 HG22 ILE 70 2HG2 ILE 70 -6.772 4.720 2.428 508 HG23 ILE 70 3HG2 ILE 70 -7.532 6.148 3.131 509 HD11 ILE 70 3HD1 ILE 70 -10.667 5.282 0.442 510 HD12 ILE 70 1HD1 ILE 70 -9.901 4.336 -0.833 511 HD13 ILE 70 2HD1 ILE 70 -9.022 5.661 -0.071 512 H TRP 71 H TRP 71 -10.105 5.031 5.321 513 HA TRP 71 HA TRP 71 -7.819 6.205 6.622 514 HB2 TRP 71 2HB TRP 71 -10.785 6.266 7.196 515 HB3 TRP 71 1HB TRP 71 -9.598 7.090 8.206 516 HD1 TRP 71 HD TRP 71 -11.581 7.494 5.100 517 HE1 TRP 71 1HE TRP 71 -10.855 9.624 3.842 518 HE3 TRP 71 3HE TRP 71 -7.291 8.603 7.640 519 HZ2 TRP 71 2HZ TRP 71 -8.731 11.543 3.901 520 HZ3 TRP 71 3HZ TRP 71 -5.940 10.584 7.022 521 HH2 TRP 71 HH TRP 71 -6.654 12.055 5.160 522 H ASP 72 H ASP 72 -9.239 3.192 6.809 523 HA ASP 72 HA ASP 72 -8.832 2.812 9.683 524 HB2 ASP 72 2HB ASP 72 -10.768 1.779 8.440 525 HB3 ASP 72 1HB ASP 72 -9.600 0.734 7.622 526 H HIS 73 H HIS 73 -7.386 1.950 6.599 527 HA HIS 73 HA HIS 73 -5.070 0.761 8.037 528 HB2 HIS 73 2HB HIS 73 -5.860 0.123 5.196 529 HB3 HIS 73 1HB HIS 73 -4.772 -0.776 6.263 530 HD1 HIS 73 1HD HIS 73 -6.716 -0.674 8.780 531 HD2 HIS 73 2HD HIS 73 -7.779 -1.891 4.940 532 HE1 HIS 73 1HE HIS 73 -8.765 -2.142 9.033 533 HE2 HIS 73 2HE HIS 73 -9.411 -2.907 6.701 534 HA PRO 74 HA PRO 74 -3.831 4.511 5.414 535 HB2 PRO 74 2HB PRO 74 -3.063 6.169 7.456 536 HB3 PRO 74 1HB PRO 74 -4.729 6.093 6.851 537 HG2 PRO 74 2HG PRO 74 -3.534 4.789 9.258 538 HG3 PRO 74 1HG PRO 74 -5.089 5.629 9.085 539 HD2 PRO 74 2HD PRO 74 -4.896 2.902 9.034 540 HD3 PRO 74 1HD PRO 74 -6.118 3.810 8.112 541 H THR 75 H THR 75 -2.530 2.246 7.431 542 HA THR 75 HA THR 75 0.260 3.185 7.019 543 HB THR 75 HB THR 75 0.808 1.578 8.887 544 HG1 THR 75 1HG THR 75 -0.766 0.484 9.735 545 HG21 THR 75 3HG2 THR 75 -0.223 3.136 10.650 546 HG22 THR 75 1HG2 THR 75 -0.965 3.990 9.298 547 HG23 THR 75 2HG2 THR 75 0.794 3.893 9.423 548 H ILE 76 H ILE 76 1.835 1.572 6.569 549 HA ILE 76 HA ILE 76 1.040 -0.187 4.474 550 HB ILE 76 HB ILE 76 3.663 0.050 5.967 551 HG12 ILE 76 2HG1 ILE 76 2.622 1.098 3.317 552 HG13 ILE 76 1HG1 ILE 76 3.141 2.044 4.705 553 HG21 ILE 76 1HG2 ILE 76 4.643 -1.299 4.170 554 HG22 ILE 76 2HG2 ILE 76 3.075 -1.429 3.375 555 HG23 ILE 76 3HG2 ILE 76 3.357 -2.227 4.915 556 HD11 ILE 76 3HD1 ILE 76 5.112 2.179 3.555 557 HD12 ILE 76 1HD1 ILE 76 4.761 0.747 2.600 558 HD13 ILE 76 2HD1 ILE 76 5.405 0.574 4.226 559 H ASP 77 H ASP 77 1.966 -0.676 7.853 560 HA ASP 77 HA ASP 77 2.129 -3.441 7.907 561 HB2 ASP 77 2HB ASP 77 2.628 -1.866 9.801 562 HB3 ASP 77 1HB ASP 77 0.893 -1.729 10.070 563 H ALA 78 H ALA 78 -0.764 -1.403 8.367 564 HA ALA 78 HA ALA 78 -2.539 -3.614 8.650 565 HB1 ALA 78 1HB ALA 78 -4.308 -1.892 8.335 566 HB2 ALA 78 2HB ALA 78 -3.057 -0.714 7.939 567 HB3 ALA 78 3HB ALA 78 -3.119 -1.424 9.550 568 H LEU 79 H LEU 79 -1.787 -1.402 5.963 569 HA LEU 79 HA LEU 79 -3.604 -2.517 4.155 570 HB2 LEU 79 2HB LEU 79 -1.964 -0.374 4.062 571 HB3 LEU 79 1HB LEU 79 -1.019 -1.471 3.079 572 HG LEU 79 HG LEU 79 -2.448 -0.282 1.574 573 HD11 LEU 79 1HD1 LEU 79 -2.321 -2.877 1.402 574 HD12 LEU 79 2HD1 LEU 79 -3.514 -2.034 0.439 575 HD13 LEU 79 3HD1 LEU 79 -3.993 -2.847 1.926 576 HD21 LEU 79 3HD2 LEU 79 -4.650 0.312 1.986 577 HD22 LEU 79 1HD2 LEU 79 -4.128 0.152 3.657 578 HD23 LEU 79 2HD2 LEU 79 -5.005 -1.161 2.879 579 H SER 80 H SER 80 -0.178 -3.241 4.717 580 HA SER 80 HA SER 80 0.156 -5.144 2.694 581 HB2 SER 80 2HB SER 80 2.062 -5.945 4.057 582 HB3 SER 80 1HB SER 80 2.043 -4.188 3.917 583 HG SER 80 HG SER 80 0.556 -4.791 5.993 584 H THR 81 H THR 81 -0.716 -5.561 6.116 585 HA THR 81 HA THR 81 -0.963 -8.347 6.133 586 HB THR 81 HB THR 81 -2.562 -6.296 7.682 587 HG1 THR 81 1HG THR 81 -0.176 -6.416 7.832 588 HG21 THR 81 3HG2 THR 81 -3.720 -8.387 7.822 589 HG22 THR 81 1HG2 THR 81 -2.775 -8.243 9.306 590 HG23 THR 81 2HG2 THR 81 -2.211 -9.283 7.996 591 H ALA 82 H ALA 82 -3.331 -5.853 5.282 592 HA ALA 82 HA ALA 82 -5.471 -7.675 4.794 593 HB1 ALA 82 1HB ALA 82 -6.455 -5.709 3.544 594 HB2 ALA 82 2HB ALA 82 -4.973 -4.825 3.916 595 HB3 ALA 82 3HB ALA 82 -6.021 -5.381 5.220 596 H LEU 83 H LEU 83 -2.949 -6.192 2.725 597 HA LEU 83 HA LEU 83 -4.013 -7.044 0.281 598 HB2 LEU 83 2HB LEU 83 -1.964 -5.431 0.980 599 HB3 LEU 83 1HB LEU 83 -1.028 -6.883 0.618 600 HG LEU 83 HG LEU 83 -2.963 -5.459 -1.230 601 HD11 LEU 83 1HD1 LEU 83 -0.975 -4.259 -1.320 602 HD12 LEU 83 2HD1 LEU 83 -0.713 -5.442 -2.595 603 HD13 LEU 83 3HD1 LEU 83 0.032 -5.671 -1.011 604 HD21 LEU 83 3HD2 LEU 83 -1.578 -8.124 -1.402 605 HD22 LEU 83 1HD2 LEU 83 -1.965 -7.232 -2.865 606 HD23 LEU 83 2HD2 LEU 83 -3.254 -7.738 -1.771 607 H VAL 84 H VAL 84 -1.466 -8.520 2.326 608 HA VAL 84 HA VAL 84 -1.083 -10.787 0.717 609 HB VAL 84 HB VAL 84 0.455 -10.076 2.530 610 HG11 VAL 84 1HG1 VAL 84 -0.126 -10.538 4.856 611 HG12 VAL 84 2HG1 VAL 84 -1.696 -11.160 4.372 612 HG13 VAL 84 3HG1 VAL 84 -1.305 -9.465 4.138 613 HG21 VAL 84 3HG2 VAL 84 0.774 -12.387 3.531 614 HG22 VAL 84 1HG2 VAL 84 0.713 -12.342 1.770 615 HG23 VAL 84 2HG2 VAL 84 -0.687 -12.883 2.693 616 H ALA 85 H ALA 85 -3.468 -9.989 3.169 617 HA ALA 85 HA ALA 85 -4.475 -12.558 3.676 618 HB1 ALA 85 1HB ALA 85 -6.159 -10.059 3.532 619 HB2 ALA 85 2HB ALA 85 -5.066 -10.393 4.876 620 HB3 ALA 85 3HB ALA 85 -6.413 -11.481 4.540 621 H GLU 86 H GLU 86 -5.099 -10.268 1.076 622 HA GLU 86 HA GLU 86 -7.330 -11.476 -0.111 623 HB2 GLU 86 2HB GLU 86 -4.991 -10.119 -1.475 624 HB3 GLU 86 1HB GLU 86 -6.546 -10.463 -2.228 625 HG2 GLU 86 2HG GLU 86 -6.182 -8.771 0.251 626 HG3 GLU 86 1HG GLU 86 -6.381 -8.126 -1.373 627 H LEU 87 H LEU 87 -4.101 -12.617 0.127 628 HA LEU 87 HA LEU 87 -4.531 -14.637 -1.991 629 HB2 LEU 87 2HB LEU 87 -2.422 -13.152 -1.914 630 HB3 LEU 87 1HB LEU 87 -1.940 -14.134 -0.537 631 HG LEU 87 HG LEU 87 -2.431 -16.168 -2.086 632 HD11 LEU 87 1HD1 LEU 87 -2.378 -13.880 -4.051 633 HD12 LEU 87 2HD1 LEU 87 -3.509 -15.222 -3.959 634 HD13 LEU 87 3HD1 LEU 87 -1.864 -15.497 -4.527 635 HD21 LEU 87 3HD2 LEU 87 -0.195 -15.854 -1.463 636 HD22 LEU 87 1HD2 LEU 87 -0.084 -14.288 -2.261 637 HD23 LEU 87 2HD2 LEU 87 -0.107 -15.767 -3.223 638 H ARG 88 H ARG 88 -4.397 -14.205 1.409 639 HA ARG 88 HA ARG 88 -3.544 -16.783 2.196 640 HB2 ARG 88 2HB ARG 88 -5.257 -14.700 3.532 641 HB3 ARG 88 1HB ARG 88 -4.879 -16.232 4.311 642 HG2 ARG 88 2HG ARG 88 -2.441 -15.748 3.966 643 HG3 ARG 88 1HG ARG 88 -2.878 -14.156 3.359 644 HD2 ARG 88 2HD ARG 88 -3.107 -15.257 6.143 645 HD3 ARG 88 1HD ARG 88 -2.502 -13.689 5.616 646 HE ARG 88 HE ARG 88 -5.143 -13.595 4.949 647 HH11 ARG 88 1HH2 ARG 88 -3.379 -14.419 7.808 648 HH12 ARG 88 2HH2 ARG 88 -4.619 -13.883 8.892 649 HH21 ARG 88 1HH1 ARG 88 -6.774 -12.894 6.361 650 HH22 ARG 88 2HH1 ARG 88 -6.542 -13.020 8.073 651 H SER 89 H SER 89 -5.016 -18.308 3.385 652 HA SER 89 HA SER 89 -7.752 -18.555 2.751 653 HB2 SER 89 2HB SER 89 -7.140 -18.923 0.472 654 HB3 SER 89 1HB SER 89 -5.834 -20.011 0.927 655 HG SER 89 HG SER 89 -8.259 -20.682 0.330 656 H ALA 90 H ALA 90 -6.732 -18.884 5.119 657 HA ALA 90 HA ALA 90 -5.723 -21.468 5.753 658 HB1 ALA 90 1HB ALA 90 -7.219 -19.565 7.569 659 HB2 ALA 90 2HB ALA 90 -5.498 -19.443 7.208 660 HB3 ALA 90 3HB ALA 90 -6.122 -20.857 8.056 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 10.574 -6.924 -17.341 2 H2 GLY 1 2HT GLY 1 11.692 -5.645 -17.368 3 H3 GLY 1 3HT GLY 1 10.437 -5.657 -16.223 4 HA2 GLY 1 2HA GLY 1 11.542 -7.957 -15.595 5 HA3 GLY 1 1HA GLY 1 12.956 -7.129 -16.248 6 H HIS 2 H HIS 2 12.412 -4.508 -15.542 7 HA HIS 2 HA HIS 2 13.006 -4.575 -12.698 8 HB2 HIS 2 2HB HIS 2 13.178 -2.021 -13.109 9 HB3 HIS 2 1HB HIS 2 14.375 -3.069 -13.869 10 HD1 HIS 2 1HD HIS 2 10.829 -2.659 -15.121 11 HD2 HIS 2 2HD HIS 2 14.701 -1.585 -16.228 12 HE1 HIS 2 1HE HIS 2 10.666 -1.707 -17.461 13 HE2 HIS 2 2HE HIS 2 13.018 -1.046 -18.150 14 H MET 3 H MET 3 10.260 -4.116 -14.684 15 HA MET 3 HA MET 3 8.702 -3.208 -12.335 16 HB2 MET 3 2HB MET 3 9.155 -1.315 -13.953 17 HB3 MET 3 1HB MET 3 8.231 -2.216 -15.155 18 HG2 MET 3 2HG MET 3 6.702 -0.685 -14.100 19 HG3 MET 3 1HG MET 3 6.324 -2.293 -13.483 20 HE1 MET 3 3HE MET 3 5.780 0.416 -10.629 21 HE2 MET 3 1HE MET 3 5.007 -0.964 -11.422 22 HE3 MET 3 2HE MET 3 5.487 0.443 -12.367 23 H SER 4 H SER 4 7.357 -4.791 -11.864 24 HA SER 4 HA SER 4 5.605 -5.878 -13.915 25 HB2 SER 4 2HB SER 4 6.245 -8.125 -13.766 26 HB3 SER 4 1HB SER 4 7.792 -7.282 -13.794 27 HG SER 4 HG SER 4 6.399 -8.392 -11.597 28 H ASP 5 H ASP 5 3.772 -6.904 -13.063 29 HA ASP 5 HA ASP 5 3.064 -6.020 -10.388 30 HB2 ASP 5 2HB ASP 5 1.508 -7.492 -12.523 31 HB3 ASP 5 1HB ASP 5 0.837 -7.017 -10.962 32 H LEU 6 H LEU 6 4.733 -8.586 -11.500 33 HA LEU 6 HA LEU 6 5.233 -10.659 -10.715 34 HB2 LEU 6 2HB LEU 6 5.549 -9.109 -8.676 35 HB3 LEU 6 1HB LEU 6 4.041 -9.808 -8.084 36 HG LEU 6 HG LEU 6 5.763 -11.988 -8.987 37 HD11 LEU 6 1HD1 LEU 6 7.612 -10.439 -8.648 38 HD12 LEU 6 2HD1 LEU 6 7.629 -11.713 -7.426 39 HD13 LEU 6 3HD1 LEU 6 7.048 -10.097 -7.014 40 HD21 LEU 6 3HD2 LEU 6 5.385 -12.807 -6.763 41 HD22 LEU 6 1HD2 LEU 6 3.906 -11.979 -7.259 42 HD23 LEU 6 2HD2 LEU 6 5.036 -11.184 -6.162 43 H SER 7 H SER 7 4.125 -12.422 -9.059 44 HA SER 7 HA SER 7 1.556 -12.933 -8.594 45 HB2 SER 7 2HB SER 7 0.787 -14.003 -10.905 46 HB3 SER 7 1HB SER 7 0.595 -12.285 -10.596 47 HG SER 7 HG SER 7 2.247 -13.589 -12.360 48 H THR 8 H THR 8 0.881 -15.302 -9.691 49 HA THR 8 HA THR 8 1.329 -17.543 -9.832 50 HB THR 8 HB THR 8 4.274 -16.987 -9.502 51 HG1 THR 8 1HG THR 8 3.534 -15.540 -11.058 52 HG21 THR 8 3HG2 THR 8 4.452 -18.915 -11.009 53 HG22 THR 8 1HG2 THR 8 2.694 -18.997 -11.118 54 HG23 THR 8 2HG2 THR 8 3.498 -19.315 -9.581 55 H ALA 9 H ALA 9 2.534 -15.430 -7.419 56 HA ALA 9 HA ALA 9 1.657 -16.666 -5.183 57 HB1 ALA 9 1HB ALA 9 3.923 -17.878 -4.460 58 HB2 ALA 9 2HB ALA 9 4.080 -18.073 -6.209 59 HB3 ALA 9 3HB ALA 9 2.677 -18.732 -5.374 60 HA PRO 10 HA PRO 10 4.272 -12.836 -4.712 61 HB2 PRO 10 2HB PRO 10 1.778 -11.937 -3.346 62 HB3 PRO 10 1HB PRO 10 2.742 -11.100 -4.584 63 HG2 PRO 10 2HG PRO 10 0.364 -12.169 -5.161 64 HG3 PRO 10 1HG PRO 10 1.704 -12.204 -6.322 65 HD2 PRO 10 2HD PRO 10 0.687 -14.421 -4.559 66 HD3 PRO 10 1HD PRO 10 1.237 -14.484 -6.248 67 H THR 11 H THR 11 5.352 -12.217 -2.811 68 HA THR 11 HA THR 11 4.655 -13.761 -0.373 69 HB THR 11 HB THR 11 7.357 -12.602 -1.073 70 HG1 THR 11 1HG THR 11 7.075 -14.090 -2.621 71 HG21 THR 11 3HG2 THR 11 8.079 -14.344 0.573 72 HG22 THR 11 1HG2 THR 11 6.380 -14.696 0.883 73 HG23 THR 11 2HG2 THR 11 7.037 -13.107 1.274 74 H LEU 12 H LEU 12 4.827 -12.718 1.623 75 HA LEU 12 HA LEU 12 3.715 -10.227 1.882 76 HB2 LEU 12 2HB LEU 12 5.603 -11.734 3.694 77 HB3 LEU 12 1HB LEU 12 4.905 -10.186 4.168 78 HG LEU 12 HG LEU 12 2.632 -11.132 3.737 79 HD11 LEU 12 1HD1 LEU 12 2.635 -13.744 3.714 80 HD12 LEU 12 2HD1 LEU 12 4.296 -13.587 3.145 81 HD13 LEU 12 3HD1 LEU 12 2.976 -12.900 2.205 82 HD21 LEU 12 3HD2 LEU 12 4.315 -12.725 5.700 83 HD22 LEU 12 1HD2 LEU 12 2.568 -12.504 5.772 84 HD23 LEU 12 2HD2 LEU 12 3.640 -11.125 6.012 85 H ASP 13 H ASP 13 7.091 -11.036 1.409 86 HA ASP 13 HA ASP 13 8.142 -8.456 1.981 87 HB2 ASP 13 2HB ASP 13 9.414 -10.350 0.033 88 HB3 ASP 13 1HB ASP 13 10.180 -9.237 1.162 89 H SER 14 H SER 14 6.995 -10.016 -1.022 90 HA SER 14 HA SER 14 7.855 -7.959 -2.763 91 HB2 SER 14 2HB SER 14 6.271 -8.964 -4.333 92 HB3 SER 14 1HB SER 14 7.336 -10.151 -3.592 93 HG SER 14 HG SER 14 4.689 -10.112 -3.596 94 H LEU 15 H LEU 15 4.849 -8.492 -0.946 95 HA LEU 15 HA LEU 15 3.516 -6.272 -2.135 96 HB2 LEU 15 2HB LEU 15 2.986 -8.015 0.270 97 HB3 LEU 15 1HB LEU 15 1.962 -6.625 -0.071 98 HG LEU 15 HG LEU 15 1.281 -7.522 -2.165 99 HD11 LEU 15 1HD1 LEU 15 3.328 -8.387 -3.080 100 HD12 LEU 15 2HD1 LEU 15 2.237 -9.758 -2.908 101 HD13 LEU 15 3HD1 LEU 15 3.511 -9.504 -1.730 102 HD21 LEU 15 3HD2 LEU 15 0.266 -9.611 -1.502 103 HD22 LEU 15 1HD2 LEU 15 0.334 -8.568 -0.079 104 HD23 LEU 15 2HD2 LEU 15 1.506 -9.871 -0.274 105 H ARG 16 H ARG 16 4.480 -6.767 1.229 106 HA ARG 16 HA ARG 16 4.262 -4.308 2.285 107 HB2 ARG 16 2HB ARG 16 5.220 -6.143 3.539 108 HB3 ARG 16 1HB ARG 16 6.680 -6.090 2.547 109 HG2 ARG 16 2HG ARG 16 5.933 -3.505 3.857 110 HG3 ARG 16 1HG ARG 16 6.456 -4.774 4.955 111 HD2 ARG 16 2HD ARG 16 8.485 -5.043 3.341 112 HD3 ARG 16 1HD ARG 16 8.006 -3.470 2.714 113 HE ARG 16 HE ARG 16 9.165 -4.023 5.304 114 HH11 ARG 16 1HH2 ARG 16 7.324 -1.878 3.313 115 HH12 ARG 16 2HH2 ARG 16 7.721 -0.465 4.233 116 HH21 ARG 16 1HH1 ARG 16 9.693 -2.191 6.507 117 HH22 ARG 16 2HH1 ARG 16 9.066 -0.644 6.046 118 H VAL 17 H VAL 17 7.118 -5.305 0.352 119 HA VAL 17 HA VAL 17 8.402 -2.797 0.351 120 HB VAL 17 HB VAL 17 9.699 -3.672 -1.526 121 HG11 VAL 17 1HG1 VAL 17 10.119 -6.096 -0.405 122 HG12 VAL 17 2HG1 VAL 17 9.073 -5.423 0.852 123 HG13 VAL 17 3HG1 VAL 17 10.571 -4.606 0.430 124 HG21 VAL 17 3HG2 VAL 17 8.981 -6.057 -2.277 125 HG22 VAL 17 1HG2 VAL 17 8.088 -4.678 -2.931 126 HG23 VAL 17 2HG2 VAL 17 7.435 -5.603 -1.593 127 H TRP 18 H TRP 18 5.949 -4.224 -1.794 128 HA TRP 18 HA TRP 18 6.023 -2.287 -3.826 129 HB2 TRP 18 2HB TRP 18 4.319 -3.556 -4.660 130 HB3 TRP 18 1HB TRP 18 4.459 -4.530 -3.207 131 HD1 TRP 18 HD TRP 18 2.454 -4.408 -1.476 132 HE1 TRP 18 1HE TRP 18 0.325 -3.090 -1.317 133 HE3 TRP 18 3HE TRP 18 3.150 -1.157 -5.352 134 HZ2 TRP 18 2HZ TRP 18 -0.977 -0.980 -2.621 135 HZ3 TRP 18 3HZ TRP 18 1.400 0.503 -5.858 136 HH2 TRP 18 HH TRP 18 -0.667 0.570 -4.479 137 H LEU 19 H LEU 19 4.045 -2.390 -0.868 138 HA LEU 19 HA LEU 19 2.590 -0.042 -1.275 139 HB2 LEU 19 2HB LEU 19 3.305 -1.778 0.985 140 HB3 LEU 19 1HB LEU 19 3.010 -0.114 1.470 141 HG LEU 19 HG LEU 19 0.979 -1.227 -0.411 142 HD11 LEU 19 1HD1 LEU 19 1.461 -3.187 0.997 143 HD12 LEU 19 2HD1 LEU 19 -0.158 -2.537 1.212 144 HD13 LEU 19 3HD1 LEU 19 1.077 -2.223 2.426 145 HD21 LEU 19 3HD2 LEU 19 0.484 0.060 2.264 146 HD22 LEU 19 1HD2 LEU 19 -0.468 0.149 0.784 147 HD23 LEU 19 2HD2 LEU 19 1.048 1.028 0.902 148 H VAL 20 H VAL 20 5.525 -0.373 0.783 149 HA VAL 20 HA VAL 20 5.823 2.380 1.169 150 HB VAL 20 HB VAL 20 7.003 0.785 2.547 151 HG11 VAL 20 1HG1 VAL 20 8.703 0.033 0.163 152 HG12 VAL 20 2HG1 VAL 20 7.253 -0.863 0.599 153 HG13 VAL 20 3HG1 VAL 20 8.595 -0.772 1.729 154 HG21 VAL 20 3HG2 VAL 20 8.072 3.050 1.933 155 HG22 VAL 20 1HG2 VAL 20 9.141 2.121 0.883 156 HG23 VAL 20 2HG2 VAL 20 9.137 1.824 2.621 157 H ASP 21 H ASP 21 7.371 0.241 -1.236 158 HA ASP 21 HA ASP 21 8.929 2.199 -2.481 159 HB2 ASP 21 2HB ASP 21 9.178 -0.233 -2.869 160 HB3 ASP 21 1HB ASP 21 7.641 -0.239 -3.731 161 H CYS 22 H CYS 22 5.565 1.298 -2.928 162 HA CYS 22 HA CYS 22 5.067 2.715 -5.318 163 HB2 CYS 22 2HB CYS 22 3.496 1.079 -4.408 164 HB3 CYS 22 1HB CYS 22 3.177 2.123 -3.027 165 HG CYS 22 HG CYS 22 1.866 3.705 -4.501 166 H VAL 23 H VAL 23 4.701 3.679 -1.902 167 HA VAL 23 HA VAL 23 3.744 6.288 -2.457 168 HB VAL 23 HB VAL 23 5.353 5.329 -0.103 169 HG11 VAL 23 1HG1 VAL 23 4.860 7.931 -0.561 170 HG12 VAL 23 2HG1 VAL 23 4.720 7.252 1.053 171 HG13 VAL 23 3HG1 VAL 23 3.276 7.499 0.082 172 HG21 VAL 23 3HG2 VAL 23 2.347 5.451 -0.442 173 HG22 VAL 23 1HG2 VAL 23 3.219 4.858 0.974 174 HG23 VAL 23 2HG2 VAL 23 3.306 3.980 -0.556 175 H ALA 24 H ALA 24 7.061 5.084 -1.772 176 HA ALA 24 HA ALA 24 8.455 7.460 -1.813 177 HB1 ALA 24 1HB ALA 24 10.389 6.186 -2.305 178 HB2 ALA 24 2HB ALA 24 9.460 4.974 -3.189 179 HB3 ALA 24 3HB ALA 24 9.324 5.082 -1.434 180 H GLY 25 H GLY 25 7.632 5.401 -4.593 181 HA2 GLY 25 2HA GLY 25 8.770 7.084 -6.564 182 HA3 GLY 25 1HA GLY 25 7.516 5.884 -6.854 183 H HIS 26 H HIS 26 5.461 6.891 -5.269 184 HA HIS 26 HA HIS 26 4.224 8.731 -6.960 185 HB2 HIS 26 2HB HIS 26 3.741 7.967 -4.084 186 HB3 HIS 26 1HB HIS 26 2.730 9.166 -4.890 187 HD1 HIS 26 1HD HIS 26 2.210 8.076 -7.576 188 HD2 HIS 26 2HD HIS 26 2.388 5.574 -4.249 189 HE1 HIS 26 1HE HIS 26 0.948 5.973 -8.196 190 HE2 HIS 26 2HE HIS 26 1.046 4.437 -6.180 191 H LEU 27 H LEU 27 5.747 9.385 -3.752 192 HA LEU 27 HA LEU 27 5.500 12.246 -4.198 193 HB2 LEU 27 2HB LEU 27 6.906 10.734 -1.989 194 HB3 LEU 27 1HB LEU 27 6.449 12.439 -1.975 195 HG LEU 27 HG LEU 27 4.519 10.105 -2.174 196 HD11 LEU 27 1HD1 LEU 27 3.821 10.889 0.112 197 HD12 LEU 27 2HD1 LEU 27 5.201 11.986 0.106 198 HD13 LEU 27 3HD1 LEU 27 5.463 10.242 0.064 199 HD21 LEU 27 3HD2 LEU 27 3.421 11.864 -3.263 200 HD22 LEU 27 1HD2 LEU 27 4.197 13.100 -2.274 201 HD23 LEU 27 2HD2 LEU 27 2.901 12.109 -1.598 202 H GLY 28 H GLY 28 8.001 9.776 -4.250 203 HA2 GLY 28 2HA GLY 28 9.914 9.902 -5.661 204 HA3 GLY 28 1HA GLY 28 9.828 11.657 -5.596 205 H LEU 29 H LEU 29 9.251 10.746 -2.508 206 HA LEU 29 HA LEU 29 11.831 11.528 -1.586 207 HB2 LEU 29 2HB LEU 29 9.650 10.187 0.015 208 HB3 LEU 29 1HB LEU 29 10.940 11.218 0.622 209 HG LEU 29 HG LEU 29 8.708 12.073 -1.241 210 HD11 LEU 29 1HD1 LEU 29 7.989 11.701 1.095 211 HD12 LEU 29 2HD1 LEU 29 7.952 13.414 0.677 212 HD13 LEU 29 3HD1 LEU 29 9.273 12.774 1.654 213 HD21 LEU 29 3HD2 LEU 29 11.167 13.470 -0.174 214 HD22 LEU 29 1HD2 LEU 29 9.722 14.394 -0.590 215 HD23 LEU 29 2HD2 LEU 29 10.542 13.440 -1.823 216 H ASP 30 H ASP 30 12.640 10.012 0.380 217 HA ASP 30 HA ASP 30 13.677 7.651 -0.959 218 HB2 ASP 30 2HB ASP 30 15.160 9.024 0.416 219 HB3 ASP 30 1HB ASP 30 14.166 8.704 1.829 220 H ALA 31 H ALA 31 12.941 5.656 -0.762 221 HA ALA 31 HA ALA 31 10.547 4.993 0.556 222 HB1 ALA 31 1HB ALA 31 12.760 3.303 -0.558 223 HB2 ALA 31 2HB ALA 31 11.164 3.624 -1.241 224 HB3 ALA 31 3HB ALA 31 11.322 2.608 0.191 225 H ALA 32 H ALA 32 13.909 4.764 1.608 226 HA ALA 32 HA ALA 32 13.482 3.113 3.846 227 HB1 ALA 32 1HB ALA 32 15.690 3.650 2.796 228 HB2 ALA 32 2HB ALA 32 15.663 3.820 4.550 229 HB3 ALA 32 3HB ALA 32 15.588 5.253 3.525 230 H THR 33 H THR 33 12.735 6.420 3.275 231 HA THR 33 HA THR 33 11.982 6.717 6.126 232 HB THR 33 HB THR 33 12.549 9.223 5.694 233 HG1 THR 33 1HG THR 33 14.623 8.710 4.189 234 HG21 THR 33 3HG2 THR 33 14.706 7.100 5.980 235 HG22 THR 33 1HG2 THR 33 13.767 7.810 7.294 236 HG23 THR 33 2HG2 THR 33 14.910 8.803 6.392 237 H ILE 34 H ILE 34 10.281 5.796 4.092 238 HA ILE 34 HA ILE 34 8.738 8.067 3.159 239 HB ILE 34 HB ILE 34 8.574 5.099 2.954 240 HG12 ILE 34 2HG1 ILE 34 9.525 6.708 1.255 241 HG13 ILE 34 1HG1 ILE 34 8.319 5.586 0.627 242 HG21 ILE 34 1HG2 ILE 34 6.126 6.861 2.853 243 HG22 ILE 34 2HG2 ILE 34 6.308 5.302 3.652 244 HG23 ILE 34 3HG2 ILE 34 6.239 5.386 1.901 245 HD11 ILE 34 3HD1 ILE 34 7.008 7.306 -0.014 246 HD12 ILE 34 1HD1 ILE 34 8.339 8.371 0.394 247 HD13 ILE 34 2HD1 ILE 34 7.076 8.062 1.581 248 H ALA 35 H ALA 35 7.563 5.336 5.078 249 HA ALA 35 HA ALA 35 6.818 6.652 7.393 250 HB1 ALA 35 1HB ALA 35 4.948 7.071 5.087 251 HB2 ALA 35 2HB ALA 35 5.314 8.145 6.435 252 HB3 ALA 35 3HB ALA 35 4.225 6.779 6.671 253 H THR 36 H THR 36 7.504 3.983 6.049 254 HA THR 36 HA THR 36 5.628 2.080 6.012 255 HB THR 36 HB THR 36 7.272 0.521 6.729 256 HG1 THR 36 1HG THR 36 9.118 2.026 7.873 257 HG21 THR 36 3HG2 THR 36 9.234 1.207 5.553 258 HG22 THR 36 1HG2 THR 36 8.934 2.910 5.893 259 HG23 THR 36 2HG2 THR 36 7.899 2.042 4.758 260 H ASP 37 H ASP 37 6.892 3.551 9.047 261 HA ASP 37 HA ASP 37 4.825 2.097 10.560 262 HB2 ASP 37 2HB ASP 37 7.230 2.010 11.274 263 HB3 ASP 37 1HB ASP 37 7.145 3.749 11.562 264 H LEU 38 H LEU 38 4.443 4.516 8.783 265 HA LEU 38 HA LEU 38 3.023 6.136 10.779 266 HB2 LEU 38 2HB LEU 38 5.065 7.103 8.804 267 HB3 LEU 38 1HB LEU 38 3.758 8.182 9.282 268 HG LEU 38 HG LEU 38 5.356 6.723 11.389 269 HD11 LEU 38 1HD1 LEU 38 7.026 7.749 9.938 270 HD12 LEU 38 2HD1 LEU 38 6.924 8.625 11.467 271 HD13 LEU 38 3HD1 LEU 38 6.171 9.290 10.013 272 HD21 LEU 38 3HD2 LEU 38 3.467 7.902 12.233 273 HD22 LEU 38 1HD2 LEU 38 3.791 9.307 11.219 274 HD23 LEU 38 2HD2 LEU 38 4.854 8.935 12.578 275 HA PRO 39 HA PRO 39 -0.285 5.913 7.893 276 HB2 PRO 39 2HB PRO 39 -1.564 8.316 8.394 277 HB3 PRO 39 1HB PRO 39 -1.656 6.907 9.471 278 HG2 PRO 39 2HG PRO 39 0.076 9.333 9.677 279 HG3 PRO 39 1HG PRO 39 -0.808 8.471 10.950 280 HD2 PRO 39 2HD PRO 39 1.849 8.131 10.578 281 HD3 PRO 39 1HD PRO 39 0.804 6.806 11.128 282 H LEU 40 H LEU 40 -1.375 7.250 6.135 283 HA LEU 40 HA LEU 40 0.637 8.240 4.338 284 HB2 LEU 40 2HB LEU 40 -1.108 8.368 2.704 285 HB3 LEU 40 1HB LEU 40 -1.417 6.917 3.652 286 HG LEU 40 HG LEU 40 -2.766 9.592 4.140 287 HD11 LEU 40 1HD1 LEU 40 -3.315 8.348 1.974 288 HD12 LEU 40 2HD1 LEU 40 -4.651 8.800 3.031 289 HD13 LEU 40 3HD1 LEU 40 -4.062 7.137 3.017 290 HD21 LEU 40 3HD2 LEU 40 -2.951 6.868 5.402 291 HD22 LEU 40 1HD2 LEU 40 -4.318 7.984 5.455 292 HD23 LEU 40 2HD2 LEU 40 -2.781 8.441 6.183 293 H THR 41 H THR 41 -1.540 9.638 6.611 294 HA THR 41 HA THR 41 -1.976 12.165 5.578 295 HB THR 41 HB THR 41 -2.067 12.904 7.983 296 HG1 THR 41 1HG THR 41 -0.829 11.712 9.188 297 HG21 THR 41 3HG2 THR 41 -4.028 11.589 8.496 298 HG22 THR 41 1HG2 THR 41 -3.496 10.295 7.422 299 HG23 THR 41 2HG2 THR 41 -3.990 11.850 6.753 300 H SER 42 H SER 42 0.919 10.828 7.113 301 HA SER 42 HA SER 42 2.357 13.043 7.756 302 HB2 SER 42 2HB SER 42 3.342 10.897 8.158 303 HB3 SER 42 1HB SER 42 3.198 10.449 6.457 304 HG SER 42 HG SER 42 4.941 12.311 7.666 305 H TYR 43 H TYR 43 1.627 11.840 4.522 306 HA TYR 43 HA TYR 43 3.480 13.532 3.137 307 HB2 TYR 43 2HB TYR 43 0.945 12.389 1.983 308 HB3 TYR 43 1HB TYR 43 2.465 12.704 1.167 309 HD1 TYR 43 1HD TYR 43 4.354 11.526 3.254 310 HD2 TYR 43 2HD TYR 43 0.682 10.063 1.555 311 HE1 TYR 43 1HE TYR 43 5.066 9.225 3.712 312 HE2 TYR 43 2HE TYR 43 1.417 7.743 2.019 313 HH TYR 43 HH TYR 43 2.910 6.506 3.254 314 H GLY 44 H GLY 44 0.769 14.263 4.868 315 HA2 GLY 44 2HA GLY 44 -0.498 16.164 5.061 316 HA3 GLY 44 1HA GLY 44 0.767 16.968 4.138 317 H LEU 45 H LEU 45 -0.786 14.233 2.721 318 HA LEU 45 HA LEU 45 -1.686 15.750 0.496 319 HB2 LEU 45 2HB LEU 45 -2.398 13.692 -0.410 320 HB3 LEU 45 1HB LEU 45 -0.966 13.300 0.534 321 HG LEU 45 HG LEU 45 -3.850 12.925 1.458 322 HD11 LEU 45 1HD1 LEU 45 -3.065 11.308 -0.248 323 HD12 LEU 45 2HD1 LEU 45 -3.401 10.576 1.319 324 HD13 LEU 45 3HD1 LEU 45 -1.733 10.870 0.825 325 HD21 LEU 45 3HD2 LEU 45 -2.528 13.436 3.396 326 HD22 LEU 45 1HD2 LEU 45 -1.171 12.493 2.791 327 HD23 LEU 45 2HD2 LEU 45 -2.627 11.681 3.345 328 H ASP 46 H ASP 46 -3.674 16.501 -0.046 329 HA ASP 46 HA ASP 46 -5.590 16.960 2.000 330 HB2 ASP 46 2HB ASP 46 -5.213 18.335 -0.108 331 HB3 ASP 46 1HB ASP 46 -6.129 17.093 -0.962 332 H SER 47 H SER 47 -7.963 16.325 1.707 333 HA SER 47 HA SER 47 -8.205 13.508 1.850 334 HB2 SER 47 2HB SER 47 -10.634 13.962 1.985 335 HB3 SER 47 1HB SER 47 -9.709 15.000 3.066 336 HG SER 47 HG SER 47 -11.092 16.323 1.975 337 H VAL 48 H VAL 48 -8.773 15.845 -0.710 338 HA VAL 48 HA VAL 48 -10.140 14.076 -2.479 339 HB VAL 48 HB VAL 48 -9.532 15.788 -4.217 340 HG11 VAL 48 1HG1 VAL 48 -11.573 15.946 -2.788 341 HG12 VAL 48 2HG1 VAL 48 -10.947 17.529 -3.247 342 HG13 VAL 48 3HG1 VAL 48 -10.653 16.901 -1.626 343 HG21 VAL 48 3HG2 VAL 48 -7.355 16.405 -3.079 344 HG22 VAL 48 1HG2 VAL 48 -8.309 17.247 -1.858 345 HG23 VAL 48 2HG2 VAL 48 -8.354 17.785 -3.537 346 H TYR 49 H TYR 49 -6.831 14.567 -1.663 347 HA TYR 49 HA TYR 49 -5.606 13.649 -4.029 348 HB2 TYR 49 2HB TYR 49 -4.672 14.619 -1.647 349 HB3 TYR 49 1HB TYR 49 -4.287 12.908 -1.464 350 HD1 TYR 49 1HD TYR 49 -4.162 15.509 -4.164 351 HD2 TYR 49 2HD TYR 49 -2.169 12.265 -2.188 352 HE1 TYR 49 1HE TYR 49 -2.215 15.788 -5.669 353 HE2 TYR 49 2HE TYR 49 -0.228 12.534 -3.681 354 HH TYR 49 HH TYR 49 0.031 13.563 -6.189 355 H ALA 50 H ALA 50 -6.439 11.872 -1.048 356 HA ALA 50 HA ALA 50 -5.559 9.361 -1.669 357 HB1 ALA 50 1HB ALA 50 -8.287 9.836 -0.469 358 HB2 ALA 50 2HB ALA 50 -6.796 10.126 0.428 359 HB3 ALA 50 3HB ALA 50 -7.175 8.504 -0.150 360 H LEU 51 H LEU 51 -8.399 11.008 -2.887 361 HA LEU 51 HA LEU 51 -9.717 8.905 -4.034 362 HB2 LEU 51 2HB LEU 51 -10.432 11.358 -4.025 363 HB3 LEU 51 1HB LEU 51 -9.367 11.582 -5.410 364 HG LEU 51 HG LEU 51 -11.743 11.228 -6.055 365 HD11 LEU 51 1HD1 LEU 51 -11.234 10.000 -7.947 366 HD12 LEU 51 2HD1 LEU 51 -10.289 8.801 -7.061 367 HD13 LEU 51 3HD1 LEU 51 -9.600 10.396 -7.394 368 HD21 LEU 51 3HD2 LEU 51 -11.507 8.324 -5.302 369 HD22 LEU 51 1HD2 LEU 51 -12.956 9.308 -5.522 370 HD23 LEU 51 2HD2 LEU 51 -11.976 9.483 -4.062 371 H SER 52 H SER 52 -7.425 11.005 -5.824 372 HA SER 52 HA SER 52 -7.281 9.296 -8.063 373 HB2 SER 52 2HB SER 52 -6.699 11.694 -8.071 374 HB3 SER 52 1HB SER 52 -5.283 11.337 -7.069 375 HG SER 52 HG SER 52 -5.585 9.784 -9.350 376 H ILE 53 H ILE 53 -5.149 9.731 -5.258 377 HA ILE 53 HA ILE 53 -3.167 7.901 -6.058 378 HB ILE 53 HB ILE 53 -4.031 8.548 -3.237 379 HG12 ILE 53 2HG1 ILE 53 -3.639 10.588 -4.569 380 HG13 ILE 53 1HG1 ILE 53 -2.370 10.348 -3.370 381 HG21 ILE 53 1HG2 ILE 53 -1.503 7.439 -4.463 382 HG22 ILE 53 2HG2 ILE 53 -2.484 6.733 -3.177 383 HG23 ILE 53 3HG2 ILE 53 -1.523 8.179 -2.863 384 HD11 ILE 53 3HD1 ILE 53 -1.154 10.896 -5.265 385 HD12 ILE 53 1HD1 ILE 53 -2.261 10.059 -6.343 386 HD13 ILE 53 2HD1 ILE 53 -1.128 9.134 -5.358 387 H ALA 54 H ALA 54 -5.685 7.376 -3.570 388 HA ALA 54 HA ALA 54 -5.346 4.693 -3.165 389 HB1 ALA 54 1HB ALA 54 -7.660 4.607 -2.456 390 HB2 ALA 54 2HB ALA 54 -8.034 6.065 -3.373 391 HB3 ALA 54 3HB ALA 54 -6.978 6.156 -1.964 392 H ALA 55 H ALA 55 -7.038 6.270 -5.838 393 HA ALA 55 HA ALA 55 -8.144 3.903 -6.964 394 HB1 ALA 55 1HB ALA 55 -7.449 6.588 -8.151 395 HB2 ALA 55 2HB ALA 55 -9.038 6.006 -7.655 396 HB3 ALA 55 3HB ALA 55 -8.244 5.306 -9.065 397 H GLU 56 H GLU 56 -5.174 5.720 -7.716 398 HA GLU 56 HA GLU 56 -4.283 4.002 -9.779 399 HB2 GLU 56 2HB GLU 56 -2.788 5.846 -7.906 400 HB3 GLU 56 1HB GLU 56 -2.018 5.004 -9.250 401 HG2 GLU 56 2HG GLU 56 -3.529 6.086 -10.835 402 HG3 GLU 56 1HG GLU 56 -4.395 6.864 -9.514 403 H LEU 57 H LEU 57 -3.452 4.083 -6.326 404 HA LEU 57 HA LEU 57 -1.599 1.972 -6.287 405 HB2 LEU 57 2HB LEU 57 -3.464 3.167 -4.237 406 HB3 LEU 57 1HB LEU 57 -2.574 1.699 -3.843 407 HG LEU 57 HG LEU 57 -0.443 2.812 -4.407 408 HD11 LEU 57 1HD1 LEU 57 -0.435 5.264 -4.774 409 HD12 LEU 57 2HD1 LEU 57 -2.184 5.211 -4.900 410 HD13 LEU 57 3HD1 LEU 57 -1.198 4.373 -6.091 411 HD21 LEU 57 3HD2 LEU 57 -0.347 4.284 -2.485 412 HD22 LEU 57 1HD2 LEU 57 -1.399 2.922 -2.100 413 HD23 LEU 57 2HD2 LEU 57 -2.099 4.489 -2.509 414 H GLU 58 H GLU 58 -5.013 1.785 -5.332 415 HA GLU 58 HA GLU 58 -5.084 -1.031 -5.213 416 HB2 GLU 58 2HB GLU 58 -7.488 -0.823 -5.241 417 HB3 GLU 58 1HB GLU 58 -6.776 0.433 -4.233 418 HG2 GLU 58 2HG GLU 58 -8.180 1.796 -5.442 419 HG3 GLU 58 1HG GLU 58 -6.849 1.746 -6.575 420 H ASP 59 H ASP 59 -5.681 1.161 -7.904 421 HA ASP 59 HA ASP 59 -6.803 -0.667 -9.719 422 HB2 ASP 59 2HB ASP 59 -5.196 1.855 -10.049 423 HB3 ASP 59 1HB ASP 59 -5.660 0.912 -11.460 424 H HIS 60 H HIS 60 -3.590 -0.338 -8.536 425 HA HIS 60 HA HIS 60 -2.374 -1.806 -10.746 426 HB2 HIS 60 2HB HIS 60 -1.432 -0.564 -8.211 427 HB3 HIS 60 1HB HIS 60 -0.471 -1.914 -8.804 428 HD1 HIS 60 1HD HIS 60 -1.987 1.328 -10.099 429 HD2 HIS 60 2HD HIS 60 1.302 -1.144 -10.739 430 HE1 HIS 60 1HE HIS 60 -0.540 2.499 -11.815 431 HE2 HIS 60 2HE HIS 60 1.473 1.000 -12.215 432 H LEU 61 H LEU 61 -3.648 -2.559 -7.562 433 HA LEU 61 HA LEU 61 -2.854 -5.388 -7.867 434 HB2 LEU 61 2HB LEU 61 -4.102 -4.065 -5.451 435 HB3 LEU 61 1HB LEU 61 -3.322 -5.635 -5.517 436 HG LEU 61 HG LEU 61 -1.741 -4.135 -4.541 437 HD11 LEU 61 1HD1 LEU 61 -0.908 -4.181 -7.443 438 HD12 LEU 61 2HD1 LEU 61 -0.990 -5.660 -6.486 439 HD13 LEU 61 3HD1 LEU 61 0.106 -4.358 -6.006 440 HD21 LEU 61 3HD2 LEU 61 -1.584 -1.932 -5.045 441 HD22 LEU 61 1HD2 LEU 61 -3.099 -2.159 -5.900 442 HD23 LEU 61 2HD2 LEU 61 -1.574 -2.216 -6.777 443 H ASP 62 H ASP 62 -5.118 -3.818 -9.232 444 HA ASP 62 HA ASP 62 -7.352 -4.124 -9.711 445 HB2 ASP 62 2HB ASP 62 -6.218 -6.899 -9.512 446 HB3 ASP 62 1HB ASP 62 -7.827 -6.549 -10.136 447 H VAL 63 H VAL 63 -7.663 -3.329 -7.340 448 HA VAL 63 HA VAL 63 -9.542 -5.197 -6.064 449 HB VAL 63 HB VAL 63 -8.468 -4.424 -3.800 450 HG11 VAL 63 1HG1 VAL 63 -6.805 -6.295 -3.962 451 HG12 VAL 63 2HG1 VAL 63 -7.201 -6.423 -5.679 452 HG13 VAL 63 3HG1 VAL 63 -8.440 -6.726 -4.458 453 HG21 VAL 63 3HG2 VAL 63 -6.881 -2.822 -4.544 454 HG22 VAL 63 1HG2 VAL 63 -6.274 -3.876 -5.817 455 HG23 VAL 63 2HG2 VAL 63 -5.931 -4.234 -4.123 456 H SER 64 H SER 64 -11.088 -4.164 -4.727 457 HA SER 64 HA SER 64 -11.381 -1.277 -5.282 458 HB2 SER 64 2HB SER 64 -13.369 -3.442 -4.615 459 HB3 SER 64 1HB SER 64 -13.774 -1.730 -4.643 460 HG SER 64 HG SER 64 -14.186 -2.716 -6.665 461 H LEU 65 H LEU 65 -11.103 0.087 -3.669 462 HA LEU 65 HA LEU 65 -11.110 -0.938 -0.888 463 HB2 LEU 65 2HB LEU 65 -9.725 1.414 -2.192 464 HB3 LEU 65 1HB LEU 65 -9.831 1.215 -0.439 465 HG LEU 65 HG LEU 65 -8.814 -1.062 -0.700 466 HD11 LEU 65 1HD1 LEU 65 -7.490 -1.203 -2.970 467 HD12 LEU 65 2HD1 LEU 65 -8.864 -0.253 -3.561 468 HD13 LEU 65 3HD1 LEU 65 -9.120 -1.828 -2.808 469 HD21 LEU 65 3HD2 LEU 65 -7.050 1.080 -1.934 470 HD22 LEU 65 1HD2 LEU 65 -6.567 -0.216 -0.837 471 HD23 LEU 65 2HD2 LEU 65 -7.526 1.137 -0.236 472 H ASP 66 H ASP 66 -12.060 0.316 0.766 473 HA ASP 66 HA ASP 66 -14.381 1.773 -0.233 474 HB2 ASP 66 2HB ASP 66 -13.881 -0.013 1.989 475 HB3 ASP 66 1HB ASP 66 -14.636 1.471 2.565 476 HA PRO 67 HA PRO 67 -12.987 5.784 0.994 477 HB2 PRO 67 2HB PRO 67 -15.606 6.148 2.402 478 HB3 PRO 67 1HB PRO 67 -14.866 7.139 1.129 479 HG2 PRO 67 2HG PRO 67 -16.923 5.515 0.614 480 HG3 PRO 67 1HG PRO 67 -15.616 5.764 -0.559 481 HD2 PRO 67 2HD PRO 67 -16.130 3.411 1.223 482 HD3 PRO 67 1HD PRO 67 -15.481 3.484 -0.429 483 H THR 68 H THR 68 -15.122 4.755 3.666 484 HA THR 68 HA THR 68 -13.507 5.882 5.694 485 HB THR 68 HB THR 68 -14.940 4.612 7.248 486 HG1 THR 68 1HG THR 68 -16.536 3.255 6.285 487 HG21 THR 68 3HG2 THR 68 -17.151 5.472 6.378 488 HG22 THR 68 1HG2 THR 68 -16.321 5.902 4.883 489 HG23 THR 68 2HG2 THR 68 -15.859 6.671 6.401 490 H LEU 69 H LEU 69 -13.293 2.953 3.942 491 HA LEU 69 HA LEU 69 -11.874 1.411 5.901 492 HB2 LEU 69 2HB LEU 69 -13.076 0.367 4.053 493 HB3 LEU 69 1HB LEU 69 -11.987 1.122 2.885 494 HG LEU 69 HG LEU 69 -10.932 -0.604 5.135 495 HD11 LEU 69 1HD1 LEU 69 -11.900 -1.513 2.421 496 HD12 LEU 69 2HD1 LEU 69 -12.550 -1.982 3.990 497 HD13 LEU 69 3HD1 LEU 69 -10.930 -2.497 3.515 498 HD21 LEU 69 3HD2 LEU 69 -9.781 0.744 2.762 499 HD22 LEU 69 1HD2 LEU 69 -9.323 -0.961 2.883 500 HD23 LEU 69 2HD2 LEU 69 -8.984 0.137 4.217 501 H ILE 70 H ILE 70 -10.898 3.460 3.174 502 HA ILE 70 HA ILE 70 -8.158 2.967 3.214 503 HB ILE 70 HB ILE 70 -9.696 5.490 2.583 504 HG12 ILE 70 2HG1 ILE 70 -8.258 3.644 0.665 505 HG13 ILE 70 1HG1 ILE 70 -9.898 3.288 1.195 506 HG21 ILE 70 1HG2 ILE 70 -6.749 4.853 2.379 507 HG22 ILE 70 2HG2 ILE 70 -7.516 6.288 3.060 508 HG23 ILE 70 3HG2 ILE 70 -7.504 6.041 1.314 509 HD11 ILE 70 3HD1 ILE 70 -9.590 4.681 -0.977 510 HD12 ILE 70 1HD1 ILE 70 -9.199 6.014 0.112 511 HD13 ILE 70 2HD1 ILE 70 -10.779 5.233 0.203 512 H TRP 71 H TRP 71 -10.124 5.031 5.272 513 HA TRP 71 HA TRP 71 -7.839 6.187 6.620 514 HB2 TRP 71 2HB TRP 71 -10.810 6.278 7.182 515 HB3 TRP 71 1HB TRP 71 -9.602 7.120 8.152 516 HD1 TRP 71 HD TRP 71 -11.730 7.580 5.206 517 HE1 TRP 71 1HE TRP 71 -10.984 9.632 3.836 518 HE3 TRP 71 3HE TRP 71 -7.162 8.436 7.321 519 HZ2 TRP 71 2HZ TRP 71 -8.738 11.401 3.656 520 HZ3 TRP 71 3HZ TRP 71 -5.742 10.307 6.532 521 HH2 TRP 71 HH TRP 71 -6.525 11.790 4.706 522 H ASP 72 H ASP 72 -9.316 3.197 6.714 523 HA ASP 72 HA ASP 72 -8.992 2.764 9.596 524 HB2 ASP 72 2HB ASP 72 -9.939 0.930 7.376 525 HB3 ASP 72 1HB ASP 72 -9.822 0.480 9.075 526 H HIS 73 H HIS 73 -7.487 1.924 6.533 527 HA HIS 73 HA HIS 73 -5.242 0.655 8.016 528 HB2 HIS 73 2HB HIS 73 -5.999 0.070 5.152 529 HB3 HIS 73 1HB HIS 73 -4.915 -0.844 6.205 530 HD1 HIS 73 1HD HIS 73 -6.926 -0.681 8.713 531 HD2 HIS 73 2HD HIS 73 -7.853 -2.040 4.884 532 HE1 HIS 73 1HE HIS 73 -8.948 -2.188 8.954 533 HE2 HIS 73 2HE HIS 73 -9.514 -3.037 6.630 534 HA PRO 74 HA PRO 74 -3.850 4.397 5.477 535 HB2 PRO 74 2HB PRO 74 -3.126 6.032 7.555 536 HB3 PRO 74 1HB PRO 74 -4.768 5.993 6.884 537 HG2 PRO 74 2HG PRO 74 -3.702 4.662 9.338 538 HG3 PRO 74 1HG PRO 74 -5.236 5.521 9.098 539 HD2 PRO 74 2HD PRO 74 -5.066 2.796 9.047 540 HD3 PRO 74 1HD PRO 74 -6.242 3.722 8.092 541 H THR 75 H THR 75 -2.665 2.115 7.566 542 HA THR 75 HA THR 75 0.155 3.022 7.288 543 HB THR 75 HB THR 75 0.494 1.179 9.101 544 HG1 THR 75 1HG THR 75 -1.358 0.791 10.308 545 HG21 THR 75 3HG2 THR 75 -0.898 3.824 9.592 546 HG22 THR 75 1HG2 THR 75 0.833 3.486 9.662 547 HG23 THR 75 2HG2 THR 75 -0.245 2.828 10.893 548 H ILE 76 H ILE 76 1.702 1.578 6.632 549 HA ILE 76 HA ILE 76 0.957 -0.168 4.530 550 HB ILE 76 HB ILE 76 3.573 0.108 6.031 551 HG12 ILE 76 2HG1 ILE 76 2.528 1.158 3.380 552 HG13 ILE 76 1HG1 ILE 76 2.975 2.108 4.793 553 HG21 ILE 76 1HG2 ILE 76 3.017 -1.358 3.424 554 HG22 ILE 76 2HG2 ILE 76 3.368 -2.157 4.953 555 HG23 ILE 76 3HG2 ILE 76 4.592 -1.162 4.181 556 HD11 ILE 76 3HD1 ILE 76 4.679 0.992 2.672 557 HD12 ILE 76 1HD1 ILE 76 5.299 0.664 4.289 558 HD13 ILE 76 2HD1 ILE 76 5.001 2.327 3.771 559 H ASP 77 H ASP 77 1.954 -0.752 7.883 560 HA ASP 77 HA ASP 77 2.168 -3.514 7.839 561 HB2 ASP 77 2HB ASP 77 2.741 -2.145 9.796 562 HB3 ASP 77 1HB ASP 77 1.036 -1.771 10.038 563 H ALA 78 H ALA 78 -0.749 -1.541 8.435 564 HA ALA 78 HA ALA 78 -2.495 -3.775 8.685 565 HB1 ALA 78 1HB ALA 78 -3.173 -1.685 9.650 566 HB2 ALA 78 2HB ALA 78 -4.286 -2.021 8.324 567 HB3 ALA 78 3HB ALA 78 -2.991 -0.841 8.112 568 H LEU 79 H LEU 79 -1.779 -1.528 6.022 569 HA LEU 79 HA LEU 79 -3.604 -2.618 4.215 570 HB2 LEU 79 2HB LEU 79 -1.968 -0.469 4.139 571 HB3 LEU 79 1HB LEU 79 -1.019 -1.562 3.142 572 HG LEU 79 HG LEU 79 -2.464 -0.352 1.659 573 HD11 LEU 79 1HD1 LEU 79 -3.960 -2.951 1.974 574 HD12 LEU 79 2HD1 LEU 79 -2.286 -2.945 1.445 575 HD13 LEU 79 3HD1 LEU 79 -3.508 -2.106 0.496 576 HD21 LEU 79 3HD2 LEU 79 -4.153 0.007 3.759 577 HD22 LEU 79 1HD2 LEU 79 -5.013 -1.293 2.935 578 HD23 LEU 79 2HD2 LEU 79 -4.670 0.216 2.091 579 H SER 80 H SER 80 -0.188 -3.366 4.771 580 HA SER 80 HA SER 80 0.149 -5.237 2.713 581 HB2 SER 80 2HB SER 80 2.114 -4.472 3.784 582 HB3 SER 80 1HB SER 80 1.489 -4.849 5.388 583 HG SER 80 HG SER 80 2.932 -6.381 3.783 584 H THR 81 H THR 81 -0.753 -5.683 6.121 585 HA THR 81 HA THR 81 -1.016 -8.473 6.105 586 HB THR 81 HB THR 81 -2.621 -6.439 7.671 587 HG1 THR 81 1HG THR 81 -0.705 -6.164 8.491 588 HG21 THR 81 3HG2 THR 81 -3.744 -8.569 7.761 589 HG22 THR 81 1HG2 THR 81 -2.862 -8.372 9.277 590 HG23 THR 81 2HG2 THR 81 -2.219 -9.418 8.011 591 H ALA 82 H ALA 82 -3.364 -5.943 5.271 592 HA ALA 82 HA ALA 82 -5.508 -7.747 4.751 593 HB1 ALA 82 1HB ALA 82 -5.699 -5.253 5.221 594 HB2 ALA 82 2HB ALA 82 -6.662 -5.852 3.869 595 HB3 ALA 82 3HB ALA 82 -5.152 -4.994 3.565 596 H LEU 83 H LEU 83 -2.994 -6.208 2.699 597 HA LEU 83 HA LEU 83 -4.046 -7.025 0.248 598 HB2 LEU 83 2HB LEU 83 -2.029 -5.399 0.932 599 HB3 LEU 83 1HB LEU 83 -1.061 -6.849 0.646 600 HG LEU 83 HG LEU 83 -2.938 -5.491 -1.305 601 HD11 LEU 83 1HD1 LEU 83 -0.876 -4.344 -1.238 602 HD12 LEU 83 2HD1 LEU 83 -0.733 -5.429 -2.618 603 HD13 LEU 83 3HD1 LEU 83 0.055 -5.833 -1.093 604 HD21 LEU 83 3HD2 LEU 83 -1.511 -8.145 -1.390 605 HD22 LEU 83 1HD2 LEU 83 -1.942 -7.293 -2.871 606 HD23 LEU 83 2HD2 LEU 83 -3.206 -7.811 -1.749 607 H VAL 84 H VAL 84 -1.511 -8.522 2.269 608 HA VAL 84 HA VAL 84 -1.103 -10.763 0.618 609 HB VAL 84 HB VAL 84 0.421 -10.048 2.461 610 HG11 VAL 84 1HG1 VAL 84 -1.645 -11.327 4.268 611 HG12 VAL 84 2HG1 VAL 84 -1.396 -9.595 4.083 612 HG13 VAL 84 3HG1 VAL 84 -0.115 -10.591 4.754 613 HG21 VAL 84 3HG2 VAL 84 0.826 -12.232 1.622 614 HG22 VAL 84 1HG2 VAL 84 -0.622 -12.888 2.388 615 HG23 VAL 84 2HG2 VAL 84 0.763 -12.427 3.373 616 H ALA 85 H ALA 85 -3.472 -10.040 3.110 617 HA ALA 85 HA ALA 85 -4.455 -12.627 3.578 618 HB1 ALA 85 1HB ALA 85 -6.133 -10.116 3.495 619 HB2 ALA 85 2HB ALA 85 -5.064 -10.518 4.837 620 HB3 ALA 85 3HB ALA 85 -6.423 -11.570 4.447 621 H GLU 86 H GLU 86 -5.091 -10.303 1.005 622 HA GLU 86 HA GLU 86 -7.324 -11.499 -0.190 623 HB2 GLU 86 2HB GLU 86 -5.001 -10.134 -1.569 624 HB3 GLU 86 1HB GLU 86 -6.589 -10.426 -2.277 625 HG2 GLU 86 2HG GLU 86 -6.101 -8.822 0.232 626 HG3 GLU 86 1HG GLU 86 -6.341 -8.115 -1.360 627 H LEU 87 H LEU 87 -4.109 -12.642 0.054 628 HA LEU 87 HA LEU 87 -4.427 -14.547 -2.170 629 HB2 LEU 87 2HB LEU 87 -2.276 -13.177 -1.710 630 HB3 LEU 87 1HB LEU 87 -2.006 -14.321 -0.391 631 HG LEU 87 HG LEU 87 -2.512 -16.127 -2.298 632 HD11 LEU 87 1HD1 LEU 87 -1.470 -13.733 -3.842 633 HD12 LEU 87 2HD1 LEU 87 -3.062 -14.465 -4.030 634 HD13 LEU 87 3HD1 LEU 87 -1.617 -15.370 -4.481 635 HD21 LEU 87 3HD2 LEU 87 0.077 -14.597 -1.939 636 HD22 LEU 87 1HD2 LEU 87 -0.041 -16.123 -2.820 637 HD23 LEU 87 2HD2 LEU 87 -0.424 -16.062 -1.098 638 H ARG 88 H ARG 88 -4.725 -14.349 1.231 639 HA ARG 88 HA ARG 88 -4.254 -17.167 1.736 640 HB2 ARG 88 2HB ARG 88 -5.449 -15.019 3.503 641 HB3 ARG 88 1HB ARG 88 -4.931 -16.619 4.029 642 HG2 ARG 88 2HG ARG 88 -3.016 -14.742 2.639 643 HG3 ARG 88 1HG ARG 88 -3.282 -14.648 4.379 644 HD2 ARG 88 2HD ARG 88 -2.705 -17.095 4.531 645 HD3 ARG 88 1HD ARG 88 -2.277 -17.052 2.826 646 HE ARG 88 HE ARG 88 -0.913 -15.034 4.335 647 HH11 ARG 88 1HH2 ARG 88 -1.014 -18.380 3.451 648 HH12 ARG 88 2HH2 ARG 88 0.686 -18.631 3.669 649 HH21 ARG 88 1HH1 ARG 88 1.314 -15.356 4.623 650 HH22 ARG 88 2HH1 ARG 88 2.004 -16.918 4.332 651 H SER 89 H SER 89 -6.399 -17.502 3.612 652 HA SER 89 HA SER 89 -8.287 -18.792 2.040 653 HB2 SER 89 2HB SER 89 -7.925 -19.127 4.503 654 HB3 SER 89 1HB SER 89 -8.792 -17.619 4.783 655 HG SER 89 HG SER 89 -9.876 -19.917 4.603 656 H ALA 90 H ALA 90 -10.789 -17.981 2.900 657 HA ALA 90 HA ALA 90 -11.298 -15.218 2.439 658 HB1 ALA 90 1HB ALA 90 -10.615 -15.972 0.132 659 HB2 ALA 90 2HB ALA 90 -12.239 -15.290 0.230 660 HB3 ALA 90 3HB ALA 90 -12.021 -17.038 0.136 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 2.271 -19.361 -14.961 2 H2 GLY 1 2HT GLY 1 2.283 -20.599 -16.125 3 H3 GLY 1 3HT GLY 1 2.398 -20.980 -14.473 4 HA2 GLY 1 2HA GLY 1 0.195 -21.466 -15.004 5 HA3 GLY 1 1HA GLY 1 0.139 -19.887 -14.219 6 H HIS 2 H HIS 2 1.677 -19.306 -17.021 7 HA HIS 2 HA HIS 2 1.095 -18.291 -18.996 8 HB2 HIS 2 2HB HIS 2 0.152 -20.604 -19.386 9 HB3 HIS 2 1HB HIS 2 -1.411 -19.975 -18.867 10 HD1 HIS 2 1HD HIS 2 -2.377 -17.927 -20.320 11 HD2 HIS 2 2HD HIS 2 0.817 -19.992 -22.027 12 HE1 HIS 2 1HE HIS 2 -2.342 -17.291 -22.773 13 HE2 HIS 2 2HE HIS 2 -0.401 -18.543 -23.827 14 H MET 3 H MET 3 -2.175 -18.807 -17.684 15 HA MET 3 HA MET 3 -3.069 -16.206 -18.316 16 HB2 MET 3 2HB MET 3 -4.106 -18.225 -16.312 17 HB3 MET 3 1HB MET 3 -4.962 -16.752 -16.768 18 HG2 MET 3 2HG MET 3 -4.971 -17.490 -19.127 19 HG3 MET 3 1HG MET 3 -4.129 -18.969 -18.663 20 HE1 MET 3 3HE MET 3 -5.719 -20.528 -19.613 21 HE2 MET 3 1HE MET 3 -6.754 -19.254 -20.274 22 HE3 MET 3 2HE MET 3 -7.462 -20.581 -19.355 23 H SER 4 H SER 4 -1.933 -17.617 -15.263 24 HA SER 4 HA SER 4 -1.223 -16.642 -13.298 25 HB2 SER 4 2HB SER 4 0.475 -15.696 -14.865 26 HB3 SER 4 1HB SER 4 -0.571 -14.299 -15.103 27 HG SER 4 HG SER 4 -0.430 -14.527 -12.546 28 H ASP 5 H ASP 5 -1.596 -14.773 -11.796 29 HA ASP 5 HA ASP 5 -4.120 -13.330 -12.375 30 HB2 ASP 5 2HB ASP 5 -3.411 -14.936 -9.916 31 HB3 ASP 5 1HB ASP 5 -4.689 -13.722 -9.935 32 H LEU 6 H LEU 6 -2.013 -13.514 -9.512 33 HA LEU 6 HA LEU 6 -1.739 -10.584 -9.603 34 HB2 LEU 6 2HB LEU 6 -2.489 -12.071 -7.538 35 HB3 LEU 6 1HB LEU 6 -0.757 -12.260 -7.323 36 HG LEU 6 HG LEU 6 -1.476 -10.379 -5.996 37 HD11 LEU 6 1HD1 LEU 6 -0.208 -9.196 -8.473 38 HD12 LEU 6 2HD1 LEU 6 0.671 -10.243 -7.368 39 HD13 LEU 6 3HD1 LEU 6 0.025 -8.713 -6.793 40 HD21 LEU 6 3HD2 LEU 6 -3.475 -10.028 -7.843 41 HD22 LEU 6 1HD2 LEU 6 -2.390 -8.709 -8.289 42 HD23 LEU 6 2HD2 LEU 6 -3.018 -8.822 -6.647 43 H SER 7 H SER 7 0.414 -13.259 -8.587 44 HA SER 7 HA SER 7 2.473 -12.400 -10.434 45 HB2 SER 7 2HB SER 7 4.122 -11.765 -8.876 46 HB3 SER 7 1HB SER 7 2.667 -10.892 -8.402 47 HG SER 7 HG SER 7 4.092 -12.518 -6.933 48 H THR 8 H THR 8 0.943 -14.810 -9.962 49 HA THR 8 HA THR 8 1.311 -17.038 -10.118 50 HB THR 8 HB THR 8 4.263 -16.552 -9.758 51 HG1 THR 8 1HG THR 8 3.394 -16.577 -12.322 52 HG21 THR 8 3HG2 THR 8 3.266 -18.876 -9.912 53 HG22 THR 8 1HG2 THR 8 4.487 -18.502 -11.127 54 HG23 THR 8 2HG2 THR 8 2.777 -18.469 -11.556 55 H ALA 9 H ALA 9 2.435 -15.080 -7.563 56 HA ALA 9 HA ALA 9 1.573 -16.537 -5.444 57 HB1 ALA 9 1HB ALA 9 2.804 -18.460 -5.749 58 HB2 ALA 9 2HB ALA 9 3.974 -17.546 -4.797 59 HB3 ALA 9 3HB ALA 9 4.116 -17.602 -6.557 60 HA PRO 10 HA PRO 10 3.771 -12.482 -4.673 61 HB2 PRO 10 2HB PRO 10 1.213 -11.933 -3.238 62 HB3 PRO 10 1HB PRO 10 2.059 -10.943 -4.446 63 HG2 PRO 10 2HG PRO 10 -0.196 -12.240 -5.047 64 HG3 PRO 10 1HG PRO 10 1.130 -12.052 -6.203 65 HD2 PRO 10 2HD PRO 10 0.385 -14.477 -4.617 66 HD3 PRO 10 1HD PRO 10 0.924 -14.360 -6.311 67 H THR 11 H THR 11 4.823 -11.920 -2.797 68 HA THR 11 HA THR 11 4.271 -13.584 -0.388 69 HB THR 11 HB THR 11 6.978 -12.503 -1.204 70 HG1 THR 11 1HG THR 11 7.375 -14.604 -1.942 71 HG21 THR 11 3HG2 THR 11 7.743 -14.236 0.413 72 HG22 THR 11 1HG2 THR 11 6.056 -14.610 0.773 73 HG23 THR 11 2HG2 THR 11 6.713 -13.023 1.171 74 H LEU 12 H LEU 12 4.605 -12.606 1.613 75 HA LEU 12 HA LEU 12 3.581 -10.091 1.988 76 HB2 LEU 12 2HB LEU 12 5.604 -11.572 3.706 77 HB3 LEU 12 1HB LEU 12 4.753 -10.117 4.218 78 HG LEU 12 HG LEU 12 2.629 -11.647 3.391 79 HD11 LEU 12 1HD1 LEU 12 2.943 -13.933 4.245 80 HD12 LEU 12 2HD1 LEU 12 4.637 -13.590 4.574 81 HD13 LEU 12 3HD1 LEU 12 4.051 -13.618 2.912 82 HD21 LEU 12 3HD2 LEU 12 2.581 -10.588 5.514 83 HD22 LEU 12 1HD2 LEU 12 3.992 -11.482 6.082 84 HD23 LEU 12 2HD2 LEU 12 2.449 -12.309 5.869 85 H ASP 13 H ASP 13 6.954 -10.993 1.476 86 HA ASP 13 HA ASP 13 7.968 -8.372 1.951 87 HB2 ASP 13 2HB ASP 13 9.326 -10.345 0.138 88 HB3 ASP 13 1HB ASP 13 10.042 -9.155 1.216 89 H SER 14 H SER 14 6.842 -10.091 -0.962 90 HA SER 14 HA SER 14 7.726 -8.117 -2.787 91 HB2 SER 14 2HB SER 14 6.186 -9.151 -4.353 92 HB3 SER 14 1HB SER 14 7.174 -10.357 -3.538 93 HG SER 14 HG SER 14 5.458 -10.883 -2.250 94 H LEU 15 H LEU 15 4.666 -8.617 -1.035 95 HA LEU 15 HA LEU 15 3.417 -6.425 -2.359 96 HB2 LEU 15 2HB LEU 15 2.538 -7.517 0.322 97 HB3 LEU 15 1HB LEU 15 1.575 -6.769 -0.928 98 HG LEU 15 HG LEU 15 3.087 -9.306 -1.527 99 HD11 LEU 15 1HD1 LEU 15 0.750 -9.030 0.251 100 HD12 LEU 15 2HD1 LEU 15 1.928 -10.329 0.105 101 HD13 LEU 15 3HD1 LEU 15 0.584 -10.240 -1.027 102 HD21 LEU 15 3HD2 LEU 15 0.982 -9.507 -3.042 103 HD22 LEU 15 1HD2 LEU 15 2.247 -8.366 -3.492 104 HD23 LEU 15 2HD2 LEU 15 0.776 -7.792 -2.715 105 H ARG 16 H ARG 16 4.321 -6.837 1.036 106 HA ARG 16 HA ARG 16 4.093 -4.367 2.080 107 HB2 ARG 16 2HB ARG 16 5.013 -6.205 3.373 108 HB3 ARG 16 1HB ARG 16 6.500 -6.182 2.425 109 HG2 ARG 16 2HG ARG 16 5.711 -3.603 3.733 110 HG3 ARG 16 1HG ARG 16 6.238 -4.888 4.809 111 HD2 ARG 16 2HD ARG 16 8.309 -5.113 3.303 112 HD3 ARG 16 1HD ARG 16 7.810 -3.592 2.573 113 HE ARG 16 HE ARG 16 9.033 -3.902 5.134 114 HH11 ARG 16 1HH2 ARG 16 6.671 -2.112 3.351 115 HH12 ARG 16 2HH2 ARG 16 6.838 -0.673 4.301 116 HH21 ARG 16 1HH1 ARG 16 9.264 -2.017 6.387 117 HH22 ARG 16 2HH1 ARG 16 8.309 -0.620 6.021 118 H VAL 17 H VAL 17 6.973 -5.386 0.213 119 HA VAL 17 HA VAL 17 8.263 -2.880 0.220 120 HB VAL 17 HB VAL 17 9.535 -3.762 -1.690 121 HG11 VAL 17 1HG1 VAL 17 10.478 -4.675 0.231 122 HG12 VAL 17 2HG1 VAL 17 9.981 -6.171 -0.567 123 HG13 VAL 17 3HG1 VAL 17 8.988 -5.481 0.720 124 HG21 VAL 17 3HG2 VAL 17 8.793 -6.140 -2.417 125 HG22 VAL 17 1HG2 VAL 17 7.893 -4.755 -3.042 126 HG23 VAL 17 2HG2 VAL 17 7.269 -5.680 -1.695 127 H TRP 18 H TRP 18 5.859 -4.342 -2.030 128 HA TRP 18 HA TRP 18 5.885 -2.369 -4.018 129 HB2 TRP 18 2HB TRP 18 4.168 -3.604 -4.874 130 HB3 TRP 18 1HB TRP 18 4.315 -4.625 -3.449 131 HD1 TRP 18 HD TRP 18 2.229 -4.646 -1.839 132 HE1 TRP 18 1HE TRP 18 0.101 -3.312 -1.610 133 HE3 TRP 18 3HE TRP 18 3.013 -1.065 -5.431 134 HZ2 TRP 18 2HZ TRP 18 -1.141 -1.074 -2.731 135 HZ3 TRP 18 3HZ TRP 18 1.278 0.655 -5.810 136 HH2 TRP 18 HH TRP 18 -0.797 0.624 -4.442 137 H LEU 19 H LEU 19 3.886 -2.469 -1.060 138 HA LEU 19 HA LEU 19 2.460 -0.082 -1.406 139 HB2 LEU 19 2HB LEU 19 3.170 -1.900 0.819 140 HB3 LEU 19 1HB LEU 19 2.838 -0.257 1.352 141 HG LEU 19 HG LEU 19 0.874 -1.383 -0.607 142 HD11 LEU 19 1HD1 LEU 19 1.053 -2.409 2.225 143 HD12 LEU 19 2HD1 LEU 19 1.265 -3.363 0.753 144 HD13 LEU 19 3HD1 LEU 19 -0.305 -2.652 1.129 145 HD21 LEU 19 3HD2 LEU 19 0.263 -0.127 2.056 146 HD22 LEU 19 1HD2 LEU 19 -0.621 -0.018 0.537 147 HD23 LEU 19 2HD2 LEU 19 0.876 0.882 0.749 148 H VAL 20 H VAL 20 5.409 -0.478 0.619 149 HA VAL 20 HA VAL 20 5.728 2.281 1.052 150 HB VAL 20 HB VAL 20 6.880 0.673 2.418 151 HG11 VAL 20 1HG1 VAL 20 8.483 -0.880 1.578 152 HG12 VAL 20 2HG1 VAL 20 8.537 -0.090 -0.000 153 HG13 VAL 20 3HG1 VAL 20 7.105 -0.976 0.497 154 HG21 VAL 20 3HG2 VAL 20 9.000 2.017 0.738 155 HG22 VAL 20 1HG2 VAL 20 9.052 1.665 2.463 156 HG23 VAL 20 2HG2 VAL 20 7.971 2.916 1.850 157 H ASP 21 H ASP 21 7.244 0.163 -1.375 158 HA ASP 21 HA ASP 21 8.809 2.123 -2.592 159 HB2 ASP 21 2HB ASP 21 7.537 -0.394 -3.650 160 HB3 ASP 21 1HB ASP 21 8.605 0.601 -4.633 161 H CYS 22 H CYS 22 5.417 1.326 -2.994 162 HA CYS 22 HA CYS 22 4.920 2.805 -5.352 163 HB2 CYS 22 2HB CYS 22 3.326 1.175 -4.366 164 HB3 CYS 22 1HB CYS 22 3.015 2.312 -3.058 165 HG CYS 22 HG CYS 22 2.521 3.265 -5.976 166 H VAL 23 H VAL 23 4.595 3.714 -1.901 167 HA VAL 23 HA VAL 23 3.731 6.365 -2.387 168 HB VAL 23 HB VAL 23 5.397 5.398 -0.080 169 HG11 VAL 23 1HG1 VAL 23 3.253 7.509 0.038 170 HG12 VAL 23 2HG1 VAL 23 4.886 7.935 -0.461 171 HG13 VAL 23 3HG1 VAL 23 4.606 7.242 1.129 172 HG21 VAL 23 3HG2 VAL 23 2.407 5.281 -0.493 173 HG22 VAL 23 1HG2 VAL 23 3.206 5.007 1.058 174 HG23 VAL 23 2HG2 VAL 23 3.504 3.919 -0.298 175 H ALA 24 H ALA 24 7.026 5.055 -1.780 176 HA ALA 24 HA ALA 24 8.486 7.389 -1.820 177 HB1 ALA 24 1HB ALA 24 10.349 6.008 -2.765 178 HB2 ALA 24 2HB ALA 24 9.196 4.696 -3.003 179 HB3 ALA 24 3HB ALA 24 9.554 5.270 -1.376 180 H GLY 25 H GLY 25 7.623 5.373 -4.617 181 HA2 GLY 25 2HA GLY 25 8.752 7.063 -6.566 182 HA3 GLY 25 1HA GLY 25 7.470 5.895 -6.871 183 H HIS 26 H HIS 26 5.452 6.951 -5.199 184 HA HIS 26 HA HIS 26 4.271 8.857 -6.867 185 HB2 HIS 26 2HB HIS 26 3.732 8.037 -4.014 186 HB3 HIS 26 1HB HIS 26 2.754 9.263 -4.820 187 HD1 HIS 26 1HD HIS 26 2.269 8.216 -7.541 188 HD2 HIS 26 2HD HIS 26 2.331 5.676 -4.237 189 HE1 HIS 26 1HE HIS 26 0.960 6.152 -8.197 190 HE2 HIS 26 2HE HIS 26 0.984 4.598 -6.196 191 H LEU 27 H LEU 27 5.782 9.408 -3.641 192 HA LEU 27 HA LEU 27 5.574 12.288 -4.024 193 HB2 LEU 27 2HB LEU 27 6.938 10.709 -1.834 194 HB3 LEU 27 1HB LEU 27 6.518 12.423 -1.789 195 HG LEU 27 HG LEU 27 4.539 10.140 -2.064 196 HD11 LEU 27 1HD1 LEU 27 3.857 10.765 0.223 197 HD12 LEU 27 2HD1 LEU 27 5.148 11.964 0.283 198 HD13 LEU 27 3HD1 LEU 27 5.542 10.246 0.179 199 HD21 LEU 27 3HD2 LEU 27 3.469 11.941 -3.097 200 HD22 LEU 27 1HD2 LEU 27 4.281 13.141 -2.092 201 HD23 LEU 27 2HD2 LEU 27 2.968 12.170 -1.425 202 H GLY 28 H GLY 28 8.074 9.797 -4.089 203 HA2 GLY 28 2HA GLY 28 9.973 9.916 -5.509 204 HA3 GLY 28 1HA GLY 28 9.921 11.673 -5.407 205 H LEU 29 H LEU 29 9.294 10.705 -2.337 206 HA LEU 29 HA LEU 29 11.881 11.413 -1.382 207 HB2 LEU 29 2HB LEU 29 9.675 10.074 0.186 208 HB3 LEU 29 1HB LEU 29 10.984 11.063 0.818 209 HG LEU 29 HG LEU 29 8.783 12.015 -1.031 210 HD11 LEU 29 1HD1 LEU 29 7.908 11.636 1.184 211 HD12 LEU 29 2HD1 LEU 29 8.139 13.374 0.993 212 HD13 LEU 29 3HD1 LEU 29 9.298 12.427 1.927 213 HD21 LEU 29 3HD2 LEU 29 10.642 13.376 -1.532 214 HD22 LEU 29 1HD2 LEU 29 11.239 13.339 0.128 215 HD23 LEU 29 2HD2 LEU 29 9.810 14.294 -0.277 216 H ASP 30 H ASP 30 12.664 9.841 0.565 217 HA ASP 30 HA ASP 30 13.665 7.486 -0.836 218 HB2 ASP 30 2HB ASP 30 14.262 8.785 1.814 219 HB3 ASP 30 1HB ASP 30 14.871 7.175 1.441 220 H ALA 31 H ALA 31 12.963 5.465 -0.596 221 HA ALA 31 HA ALA 31 10.556 4.823 0.677 222 HB1 ALA 31 1HB ALA 31 12.788 3.064 -0.288 223 HB2 ALA 31 2HB ALA 31 11.299 3.476 -1.142 224 HB3 ALA 31 3HB ALA 31 11.240 2.455 0.295 225 H ALA 32 H ALA 32 13.899 4.511 1.794 226 HA ALA 32 HA ALA 32 13.353 2.935 4.071 227 HB1 ALA 32 1HB ALA 32 15.573 3.786 4.844 228 HB2 ALA 32 2HB ALA 32 15.587 4.879 3.461 229 HB3 ALA 32 3HB ALA 32 15.605 3.134 3.206 230 H THR 33 H THR 33 12.585 6.171 3.361 231 HA THR 33 HA THR 33 11.967 6.642 6.220 232 HB THR 33 HB THR 33 12.534 9.137 5.591 233 HG1 THR 33 1HG THR 33 13.596 7.625 3.539 234 HG21 THR 33 3HG2 THR 33 14.485 6.922 6.234 235 HG22 THR 33 1HG2 THR 33 13.769 8.104 7.329 236 HG23 THR 33 2HG2 THR 33 15.001 8.608 6.172 237 H ILE 34 H ILE 34 10.239 5.694 4.067 238 HA ILE 34 HA ILE 34 8.703 7.952 3.165 239 HB ILE 34 HB ILE 34 8.566 4.988 2.959 240 HG12 ILE 34 2HG1 ILE 34 9.525 6.608 1.282 241 HG13 ILE 34 1HG1 ILE 34 8.352 5.466 0.624 242 HG21 ILE 34 1HG2 ILE 34 6.248 5.185 1.908 243 HG22 ILE 34 2HG2 ILE 34 6.062 6.668 2.840 244 HG23 ILE 34 3HG2 ILE 34 6.321 5.129 3.654 245 HD11 ILE 34 3HD1 ILE 34 8.332 8.241 0.363 246 HD12 ILE 34 1HD1 ILE 34 7.072 7.934 1.556 247 HD13 ILE 34 2HD1 ILE 34 7.012 7.152 -0.022 248 H ALA 35 H ALA 35 7.510 5.262 5.156 249 HA ALA 35 HA ALA 35 6.812 6.582 7.447 250 HB1 ALA 35 1HB ALA 35 5.018 7.184 5.131 251 HB2 ALA 35 2HB ALA 35 5.445 8.211 6.503 252 HB3 ALA 35 3HB ALA 35 4.246 6.934 6.700 253 H THR 36 H THR 36 7.242 3.907 5.946 254 HA THR 36 HA THR 36 5.182 2.205 5.813 255 HB THR 36 HB THR 36 6.657 0.419 6.431 256 HG1 THR 36 1HG THR 36 8.221 0.681 7.872 257 HG21 THR 36 3HG2 THR 36 8.564 0.908 5.087 258 HG22 THR 36 1HG2 THR 36 8.503 2.623 5.490 259 HG23 THR 36 2HG2 THR 36 7.276 1.918 4.437 260 H ASP 37 H ASP 37 6.519 3.512 8.815 261 HA ASP 37 HA ASP 37 4.606 1.971 10.424 262 HB2 ASP 37 2HB ASP 37 6.783 3.901 11.260 263 HB3 ASP 37 1HB ASP 37 5.855 2.844 12.324 264 H LEU 38 H LEU 38 5.087 5.108 9.061 265 HA LEU 38 HA LEU 38 3.153 6.372 10.867 266 HB2 LEU 38 2HB LEU 38 5.124 7.380 8.822 267 HB3 LEU 38 1HB LEU 38 3.805 8.427 9.340 268 HG LEU 38 HG LEU 38 5.091 7.213 11.686 269 HD11 LEU 38 1HD1 LEU 38 6.906 8.768 9.825 270 HD12 LEU 38 2HD1 LEU 38 7.083 7.063 10.240 271 HD13 LEU 38 3HD1 LEU 38 7.289 8.302 11.481 272 HD21 LEU 38 3HD2 LEU 38 3.782 9.260 11.821 273 HD22 LEU 38 1HD2 LEU 38 4.826 10.051 10.638 274 HD23 LEU 38 2HD2 LEU 38 5.453 9.642 12.236 275 HA PRO 39 HA PRO 39 -0.196 6.069 8.020 276 HB2 PRO 39 2HB PRO 39 -1.527 8.435 8.486 277 HB3 PRO 39 1HB PRO 39 -1.566 7.048 9.595 278 HG2 PRO 39 2HG PRO 39 0.110 9.518 9.724 279 HG3 PRO 39 1HG PRO 39 -0.751 8.672 11.023 280 HD2 PRO 39 2HD PRO 39 1.915 8.368 10.658 281 HD3 PRO 39 1HD PRO 39 0.896 7.034 11.234 282 H LEU 40 H LEU 40 -1.361 7.405 6.283 283 HA LEU 40 HA LEU 40 0.604 8.344 4.413 284 HB2 LEU 40 2HB LEU 40 -1.187 8.484 2.832 285 HB3 LEU 40 1HB LEU 40 -1.466 7.030 3.783 286 HG LEU 40 HG LEU 40 -2.810 9.701 4.319 287 HD11 LEU 40 1HD1 LEU 40 -3.389 8.376 2.136 288 HD12 LEU 40 2HD1 LEU 40 -4.698 8.945 3.172 289 HD13 LEU 40 3HD1 LEU 40 -4.187 7.259 3.243 290 HD21 LEU 40 3HD2 LEU 40 -4.336 8.094 5.639 291 HD22 LEU 40 1HD2 LEU 40 -2.780 8.513 6.346 292 HD23 LEU 40 2HD2 LEU 40 -2.990 6.959 5.536 293 H THR 41 H THR 41 -1.544 9.781 6.693 294 HA THR 41 HA THR 41 -1.944 12.310 5.644 295 HB THR 41 HB THR 41 -2.009 13.077 8.035 296 HG1 THR 41 1HG THR 41 -0.848 10.572 8.296 297 HG21 THR 41 3HG2 THR 41 -3.879 11.487 8.663 298 HG22 THR 41 1HG2 THR 41 -3.475 10.564 7.216 299 HG23 THR 41 2HG2 THR 41 -4.035 12.230 7.071 300 H SER 42 H SER 42 0.976 10.950 7.112 301 HA SER 42 HA SER 42 2.418 13.172 7.730 302 HB2 SER 42 2HB SER 42 3.384 11.042 8.155 303 HB3 SER 42 1HB SER 42 3.217 10.550 6.470 304 HG SER 42 HG SER 42 4.627 12.818 6.603 305 H TYR 43 H TYR 43 1.721 11.882 4.524 306 HA TYR 43 HA TYR 43 3.557 13.549 3.103 307 HB2 TYR 43 2HB TYR 43 1.018 12.425 1.933 308 HB3 TYR 43 1HB TYR 43 2.573 12.668 1.154 309 HD1 TYR 43 1HD TYR 43 4.349 11.487 3.381 310 HD2 TYR 43 2HD TYR 43 0.730 10.100 1.510 311 HE1 TYR 43 1HE TYR 43 4.973 9.164 3.899 312 HE2 TYR 43 2HE TYR 43 1.366 7.767 2.039 313 HH TYR 43 HH TYR 43 3.259 6.450 2.572 314 H GLY 44 H GLY 44 0.768 14.276 4.768 315 HA2 GLY 44 2HA GLY 44 -0.481 16.203 4.957 316 HA3 GLY 44 1HA GLY 44 0.790 16.990 4.027 317 H LEU 45 H LEU 45 -0.863 14.237 2.692 318 HA LEU 45 HA LEU 45 -1.688 15.749 0.414 319 HB2 LEU 45 2HB LEU 45 -2.362 13.681 -0.482 320 HB3 LEU 45 1HB LEU 45 -0.940 13.313 0.477 321 HG LEU 45 HG LEU 45 -3.828 12.887 1.355 322 HD11 LEU 45 1HD1 LEU 45 -3.068 11.259 -0.322 323 HD12 LEU 45 2HD1 LEU 45 -3.246 10.512 1.261 324 HD13 LEU 45 3HD1 LEU 45 -1.641 10.917 0.657 325 HD21 LEU 45 3HD2 LEU 45 -1.167 12.434 2.730 326 HD22 LEU 45 1HD2 LEU 45 -2.649 11.638 3.237 327 HD23 LEU 45 2HD2 LEU 45 -2.526 13.387 3.323 328 H ASP 46 H ASP 46 -3.658 16.489 -0.163 329 HA ASP 46 HA ASP 46 -5.617 16.938 1.845 330 HB2 ASP 46 2HB ASP 46 -5.678 17.251 -1.161 331 HB3 ASP 46 1HB ASP 46 -7.033 17.694 -0.122 332 H SER 47 H SER 47 -7.969 16.304 1.495 333 HA SER 47 HA SER 47 -8.225 13.491 1.628 334 HB2 SER 47 2HB SER 47 -9.770 15.033 2.766 335 HB3 SER 47 1HB SER 47 -10.368 15.589 1.206 336 HG SER 47 HG SER 47 -11.200 13.530 2.601 337 H VAL 48 H VAL 48 -8.743 15.812 -0.956 338 HA VAL 48 HA VAL 48 -10.056 14.059 -2.767 339 HB VAL 48 HB VAL 48 -9.329 15.741 -4.491 340 HG11 VAL 48 1HG1 VAL 48 -10.619 16.721 -1.930 341 HG12 VAL 48 2HG1 VAL 48 -11.438 16.047 -3.341 342 HG13 VAL 48 3HG1 VAL 48 -10.639 17.616 -3.449 343 HG21 VAL 48 3HG2 VAL 48 -8.191 17.218 -2.102 344 HG22 VAL 48 1HG2 VAL 48 -8.117 17.699 -3.796 345 HG23 VAL 48 2HG2 VAL 48 -7.189 16.310 -3.235 346 H TYR 49 H TYR 49 -6.746 14.514 -1.858 347 HA TYR 49 HA TYR 49 -5.494 13.488 -4.177 348 HB2 TYR 49 2HB TYR 49 -4.582 14.594 -1.857 349 HB3 TYR 49 1HB TYR 49 -4.220 12.894 -1.542 350 HD1 TYR 49 1HD TYR 49 -4.020 15.297 -4.431 351 HD2 TYR 49 2HD TYR 49 -2.081 12.183 -2.198 352 HE1 TYR 49 1HE TYR 49 -2.043 15.465 -5.911 353 HE2 TYR 49 2HE TYR 49 -0.106 12.349 -3.671 354 HH TYR 49 HH TYR 49 -0.118 13.704 -6.597 355 H ALA 50 H ALA 50 -6.442 11.889 -1.136 356 HA ALA 50 HA ALA 50 -5.570 9.320 -1.650 357 HB1 ALA 50 1HB ALA 50 -7.563 8.599 -0.239 358 HB2 ALA 50 2HB ALA 50 -8.029 10.300 -0.196 359 HB3 ALA 50 3HB ALA 50 -6.489 9.789 0.493 360 H LEU 51 H LEU 51 -8.549 10.890 -2.764 361 HA LEU 51 HA LEU 51 -9.825 8.674 -3.853 362 HB2 LEU 51 2HB LEU 51 -10.873 10.881 -3.643 363 HB3 LEU 51 1HB LEU 51 -9.779 11.534 -4.860 364 HG LEU 51 HG LEU 51 -11.242 9.108 -5.758 365 HD11 LEU 51 1HD1 LEU 51 -13.089 9.985 -4.528 366 HD12 LEU 51 2HD1 LEU 51 -13.333 10.514 -6.193 367 HD13 LEU 51 3HD1 LEU 51 -12.705 11.643 -4.990 368 HD21 LEU 51 3HD2 LEU 51 -11.388 10.326 -7.804 369 HD22 LEU 51 1HD2 LEU 51 -9.806 10.742 -7.139 370 HD23 LEU 51 2HD2 LEU 51 -11.154 11.872 -6.991 371 H SER 52 H SER 52 -7.746 11.014 -5.586 372 HA SER 52 HA SER 52 -7.660 9.547 -7.997 373 HB2 SER 52 2HB SER 52 -7.085 11.942 -7.807 374 HB3 SER 52 1HB SER 52 -5.638 11.507 -6.888 375 HG SER 52 HG SER 52 -5.587 10.014 -9.023 376 H ILE 53 H ILE 53 -5.397 9.731 -5.269 377 HA ILE 53 HA ILE 53 -3.433 8.010 -6.350 378 HB ILE 53 HB ILE 53 -4.131 8.502 -3.444 379 HG12 ILE 53 2HG1 ILE 53 -3.637 10.538 -5.070 380 HG13 ILE 53 1HG1 ILE 53 -2.863 10.456 -3.492 381 HG21 ILE 53 1HG2 ILE 53 -1.714 7.389 -4.853 382 HG22 ILE 53 2HG2 ILE 53 -2.640 6.687 -3.525 383 HG23 ILE 53 3HG2 ILE 53 -1.604 8.084 -3.237 384 HD11 ILE 53 3HD1 ILE 53 -1.516 9.296 -5.927 385 HD12 ILE 53 1HD1 ILE 53 -0.786 9.819 -4.407 386 HD13 ILE 53 2HD1 ILE 53 -1.395 11.016 -5.546 387 H ALA 54 H ALA 54 -5.904 7.343 -3.843 388 HA ALA 54 HA ALA 54 -5.515 4.637 -3.546 389 HB1 ALA 54 1HB ALA 54 -7.820 4.475 -2.825 390 HB2 ALA 54 2HB ALA 54 -8.238 5.964 -3.673 391 HB3 ALA 54 3HB ALA 54 -7.170 6.014 -2.268 392 H ALA 55 H ALA 55 -7.241 6.327 -6.123 393 HA ALA 55 HA ALA 55 -8.272 3.992 -7.390 394 HB1 ALA 55 1HB ALA 55 -7.561 6.606 -8.737 395 HB2 ALA 55 2HB ALA 55 -9.040 6.359 -7.806 396 HB3 ALA 55 3HB ALA 55 -8.747 5.411 -9.263 397 H GLU 56 H GLU 56 -5.294 5.877 -7.866 398 HA GLU 56 HA GLU 56 -4.349 4.356 -10.075 399 HB2 GLU 56 2HB GLU 56 -3.529 6.621 -9.479 400 HB3 GLU 56 1HB GLU 56 -2.727 5.936 -8.065 401 HG2 GLU 56 2HG GLU 56 -1.377 4.483 -9.514 402 HG3 GLU 56 1HG GLU 56 -2.206 5.115 -10.936 403 H LEU 57 H LEU 57 -3.523 4.210 -6.608 404 HA LEU 57 HA LEU 57 -1.668 2.070 -6.685 405 HB2 LEU 57 2HB LEU 57 -3.545 3.255 -4.633 406 HB3 LEU 57 1HB LEU 57 -2.729 1.744 -4.252 407 HG LEU 57 HG LEU 57 -0.540 2.823 -4.744 408 HD11 LEU 57 1HD1 LEU 57 -2.295 5.191 -5.274 409 HD12 LEU 57 2HD1 LEU 57 -1.115 4.471 -6.358 410 HD13 LEU 57 3HD1 LEU 57 -0.583 5.354 -4.925 411 HD21 LEU 57 3HD2 LEU 57 -2.307 4.278 -2.767 412 HD22 LEU 57 1HD2 LEU 57 -0.550 4.402 -2.804 413 HD23 LEU 57 2HD2 LEU 57 -1.318 2.856 -2.438 414 H GLU 58 H GLU 58 -5.092 1.858 -5.678 415 HA GLU 58 HA GLU 58 -5.208 -0.922 -5.730 416 HB2 GLU 58 2HB GLU 58 -7.575 -0.704 -5.729 417 HB3 GLU 58 1HB GLU 58 -6.914 0.596 -4.772 418 HG2 GLU 58 2HG GLU 58 -8.331 1.885 -6.055 419 HG3 GLU 58 1HG GLU 58 -6.973 1.845 -7.163 420 H ASP 59 H ASP 59 -5.701 1.386 -8.382 421 HA ASP 59 HA ASP 59 -6.731 -0.400 -10.282 422 HB2 ASP 59 2HB ASP 59 -6.788 1.916 -10.796 423 HB3 ASP 59 1HB ASP 59 -5.054 2.096 -10.548 424 H HIS 60 H HIS 60 -3.510 0.088 -9.093 425 HA HIS 60 HA HIS 60 -2.199 -1.413 -11.195 426 HB2 HIS 60 2HB HIS 60 -1.251 -0.546 -8.462 427 HB3 HIS 60 1HB HIS 60 -0.248 -1.433 -9.609 428 HD1 HIS 60 1HD HIS 60 -0.725 -0.194 -12.226 429 HD2 HIS 60 2HD HIS 60 -0.616 2.127 -8.767 430 HE1 HIS 60 1HE HIS 60 -0.224 2.173 -12.971 431 HE2 HIS 60 2HE HIS 60 -0.156 3.604 -10.872 432 H LEU 61 H LEU 61 -3.458 -2.165 -7.979 433 HA LEU 61 HA LEU 61 -2.572 -4.959 -8.253 434 HB2 LEU 61 2HB LEU 61 -3.815 -3.474 -5.926 435 HB3 LEU 61 1HB LEU 61 -3.343 -5.169 -5.899 436 HG LEU 61 HG LEU 61 -1.602 -3.774 -4.878 437 HD11 LEU 61 1HD1 LEU 61 -0.405 -4.481 -7.530 438 HD12 LEU 61 2HD1 LEU 61 -1.104 -5.771 -6.542 439 HD13 LEU 61 3HD1 LEU 61 0.203 -4.773 -5.898 440 HD21 LEU 61 3HD2 LEU 61 -1.003 -2.490 -7.512 441 HD22 LEU 61 1HD2 LEU 61 -0.633 -1.945 -5.887 442 HD23 LEU 61 2HD2 LEU 61 -2.270 -1.816 -6.495 443 H ASP 62 H ASP 62 -5.019 -3.416 -9.582 444 HA ASP 62 HA ASP 62 -7.213 -3.902 -10.094 445 HB2 ASP 62 2HB ASP 62 -5.895 -6.594 -9.850 446 HB3 ASP 62 1HB ASP 62 -7.522 -6.377 -10.489 447 H VAL 63 H VAL 63 -7.522 -3.118 -7.680 448 HA VAL 63 HA VAL 63 -9.348 -5.059 -6.458 449 HB VAL 63 HB VAL 63 -8.247 -4.368 -4.178 450 HG11 VAL 63 1HG1 VAL 63 -6.808 -6.190 -6.113 451 HG12 VAL 63 2HG1 VAL 63 -8.193 -6.647 -5.125 452 HG13 VAL 63 3HG1 VAL 63 -6.660 -6.233 -4.358 453 HG21 VAL 63 3HG2 VAL 63 -5.998 -3.879 -6.153 454 HG22 VAL 63 1HG2 VAL 63 -5.788 -4.027 -4.412 455 HG23 VAL 63 2HG2 VAL 63 -6.706 -2.680 -5.075 456 H SER 64 H SER 64 -10.829 -4.048 -4.941 457 HA SER 64 HA SER 64 -11.053 -1.112 -5.336 458 HB2 SER 64 2HB SER 64 -12.904 -2.302 -6.361 459 HB3 SER 64 1HB SER 64 -13.188 -3.213 -4.879 460 HG SER 64 HG SER 64 -14.542 -1.313 -5.202 461 H LEU 65 H LEU 65 -11.029 0.142 -3.571 462 HA LEU 65 HA LEU 65 -10.983 -1.180 -0.914 463 HB2 LEU 65 2HB LEU 65 -9.998 1.625 -1.120 464 HB3 LEU 65 1HB LEU 65 -9.317 0.242 -0.263 465 HG LEU 65 HG LEU 65 -8.691 -0.671 -2.593 466 HD11 LEU 65 1HD1 LEU 65 -9.215 0.526 -4.416 467 HD12 LEU 65 2HD1 LEU 65 -8.468 1.981 -3.764 468 HD13 LEU 65 3HD1 LEU 65 -10.155 1.621 -3.409 469 HD21 LEU 65 3HD2 LEU 65 -6.586 0.425 -2.514 470 HD22 LEU 65 1HD2 LEU 65 -7.162 0.508 -0.851 471 HD23 LEU 65 2HD2 LEU 65 -7.290 1.918 -1.902 472 H ASP 66 H ASP 66 -11.875 0.108 0.868 473 HA ASP 66 HA ASP 66 -14.375 1.407 0.026 474 HB2 ASP 66 2HB ASP 66 -13.529 -0.308 2.246 475 HB3 ASP 66 1HB ASP 66 -14.408 1.106 2.829 476 HA PRO 67 HA PRO 67 -13.149 5.454 1.207 477 HB2 PRO 67 2HB PRO 67 -15.380 6.367 2.574 478 HB3 PRO 67 1HB PRO 67 -15.287 6.218 0.809 479 HG2 PRO 67 2HG PRO 67 -16.510 4.357 2.799 480 HG3 PRO 67 1HG PRO 67 -17.114 4.866 1.211 481 HD2 PRO 67 2HD PRO 67 -15.919 2.463 1.571 482 HD3 PRO 67 1HD PRO 67 -15.736 3.380 0.058 483 H THR 68 H THR 68 -15.150 4.556 4.019 484 HA THR 68 HA THR 68 -13.454 5.760 5.917 485 HB THR 68 HB THR 68 -15.663 5.413 6.632 486 HG1 THR 68 1HG THR 68 -14.248 4.845 8.273 487 HG21 THR 68 3HG2 THR 68 -16.480 3.822 5.077 488 HG22 THR 68 1HG2 THR 68 -16.625 3.028 6.644 489 HG23 THR 68 2HG2 THR 68 -15.293 2.612 5.564 490 H LEU 69 H LEU 69 -13.190 2.801 4.246 491 HA LEU 69 HA LEU 69 -11.707 1.330 6.210 492 HB2 LEU 69 2HB LEU 69 -12.901 0.218 4.389 493 HB3 LEU 69 1HB LEU 69 -11.836 0.971 3.205 494 HG LEU 69 HG LEU 69 -10.742 -0.710 5.473 495 HD11 LEU 69 1HD1 LEU 69 -10.756 -2.633 3.940 496 HD12 LEU 69 2HD1 LEU 69 -11.573 -1.655 2.719 497 HD13 LEU 69 3HD1 LEU 69 -12.395 -2.045 4.228 498 HD21 LEU 69 3HD2 LEU 69 -8.817 0.089 4.554 499 HD22 LEU 69 1HD2 LEU 69 -9.621 0.656 3.089 500 HD23 LEU 69 2HD2 LEU 69 -9.121 -1.029 3.231 501 H ILE 70 H ILE 70 -10.810 3.362 3.434 502 HA ILE 70 HA ILE 70 -8.057 2.918 3.461 503 HB ILE 70 HB ILE 70 -9.660 5.383 2.749 504 HG12 ILE 70 2HG1 ILE 70 -8.138 3.546 0.890 505 HG13 ILE 70 1HG1 ILE 70 -9.753 3.113 1.439 506 HG21 ILE 70 1HG2 ILE 70 -6.695 4.831 2.543 507 HG22 ILE 70 2HG2 ILE 70 -7.495 6.235 3.251 508 HG23 ILE 70 3HG2 ILE 70 -7.501 6.007 1.501 509 HD11 ILE 70 3HD1 ILE 70 -9.189 5.826 0.236 510 HD12 ILE 70 1HD1 ILE 70 -10.741 5.001 0.409 511 HD13 ILE 70 2HD1 ILE 70 -9.565 4.431 -0.775 512 H TRP 71 H TRP 71 -10.032 5.090 5.414 513 HA TRP 71 HA TRP 71 -7.763 6.269 6.763 514 HB2 TRP 71 2HB TRP 71 -10.729 6.323 7.333 515 HB3 TRP 71 1HB TRP 71 -9.531 7.201 8.285 516 HD1 TRP 71 HD TRP 71 -11.666 7.569 5.320 517 HE1 TRP 71 1HE TRP 71 -10.951 9.609 3.915 518 HE3 TRP 71 3HE TRP 71 -7.129 8.555 7.445 519 HZ2 TRP 71 2HZ TRP 71 -8.740 11.418 3.713 520 HZ3 TRP 71 3HZ TRP 71 -5.741 10.438 6.629 521 HH2 TRP 71 HH TRP 71 -6.540 11.869 4.770 522 H ASP 72 H ASP 72 -9.209 3.262 6.925 523 HA ASP 72 HA ASP 72 -8.867 2.872 9.813 524 HB2 ASP 72 2HB ASP 72 -10.762 1.817 8.514 525 HB3 ASP 72 1HB ASP 72 -9.561 0.782 7.732 526 H HIS 73 H HIS 73 -7.352 1.966 6.767 527 HA HIS 73 HA HIS 73 -5.065 0.778 8.255 528 HB2 HIS 73 2HB HIS 73 -5.874 0.160 5.411 529 HB3 HIS 73 1HB HIS 73 -4.729 -0.718 6.430 530 HD1 HIS 73 1HD HIS 73 -6.672 -0.590 9.007 531 HD2 HIS 73 2HD HIS 73 -7.664 -2.025 5.220 532 HE1 HIS 73 1HE HIS 73 -8.668 -2.119 9.317 533 HE2 HIS 73 2HE HIS 73 -9.269 -3.018 7.022 534 HA PRO 74 HA PRO 74 -3.705 4.522 5.653 535 HB2 PRO 74 2HB PRO 74 -2.935 6.162 7.703 536 HB3 PRO 74 1HB PRO 74 -4.605 6.098 7.103 537 HG2 PRO 74 2HG PRO 74 -3.413 4.748 9.489 538 HG3 PRO 74 1HG PRO 74 -4.945 5.632 9.347 539 HD2 PRO 74 2HD PRO 74 -4.847 2.906 9.258 540 HD3 PRO 74 1HD PRO 74 -6.034 3.860 8.335 541 H THR 75 H THR 75 -2.468 2.254 7.749 542 HA THR 75 HA THR 75 0.351 3.107 7.322 543 HB THR 75 HB THR 75 0.857 1.580 9.246 544 HG1 THR 75 1HG THR 75 -1.358 1.505 10.506 545 HG21 THR 75 3HG2 THR 75 -0.203 3.174 10.959 546 HG22 THR 75 1HG2 THR 75 -0.925 3.994 9.573 547 HG23 THR 75 2HG2 THR 75 0.831 3.900 9.728 548 H ILE 76 H ILE 76 1.731 1.773 6.321 549 HA ILE 76 HA ILE 76 0.874 -0.180 4.555 550 HB ILE 76 HB ILE 76 3.594 0.140 5.860 551 HG12 ILE 76 2HG1 ILE 76 2.408 1.080 3.228 552 HG13 ILE 76 1HG1 ILE 76 2.892 2.089 4.586 553 HG21 ILE 76 1HG2 ILE 76 3.303 -2.155 4.914 554 HG22 ILE 76 2HG2 ILE 76 4.476 -1.211 4.013 555 HG23 ILE 76 3HG2 ILE 76 2.850 -1.435 3.372 556 HD11 ILE 76 3HD1 ILE 76 5.220 0.685 4.073 557 HD12 ILE 76 1HD1 ILE 76 4.856 2.301 3.463 558 HD13 ILE 76 2HD1 ILE 76 4.535 0.890 2.465 559 H ASP 77 H ASP 77 1.898 -0.508 7.915 560 HA ASP 77 HA ASP 77 2.186 -3.259 8.082 561 HB2 ASP 77 2HB ASP 77 2.619 -1.623 9.917 562 HB3 ASP 77 1HB ASP 77 0.879 -1.490 10.157 563 H ALA 78 H ALA 78 -0.790 -1.372 8.627 564 HA ALA 78 HA ALA 78 -2.480 -3.630 8.921 565 HB1 ALA 78 1HB ALA 78 -3.242 -1.508 9.747 566 HB2 ALA 78 2HB ALA 78 -4.319 -1.977 8.430 567 HB3 ALA 78 3HB ALA 78 -3.068 -0.765 8.156 568 H LEU 79 H LEU 79 -1.770 -1.523 6.141 569 HA LEU 79 HA LEU 79 -3.497 -2.752 4.308 570 HB2 LEU 79 2HB LEU 79 -1.726 -0.626 4.270 571 HB3 LEU 79 1HB LEU 79 -0.945 -1.757 3.182 572 HG LEU 79 HG LEU 79 -2.398 -0.363 1.864 573 HD11 LEU 79 1HD1 LEU 79 -3.368 -2.010 0.617 574 HD12 LEU 79 2HD1 LEU 79 -4.168 -2.761 2.001 575 HD13 LEU 79 3HD1 LEU 79 -2.459 -3.061 1.703 576 HD21 LEU 79 3HD2 LEU 79 -4.938 -1.214 3.178 577 HD22 LEU 79 1HD2 LEU 79 -4.486 0.346 2.494 578 HD23 LEU 79 2HD2 LEU 79 -3.951 -0.091 4.112 579 H SER 80 H SER 80 -0.100 -3.449 5.095 580 HA SER 80 HA SER 80 0.357 -5.410 3.141 581 HB2 SER 80 2HB SER 80 1.506 -5.096 5.920 582 HB3 SER 80 1HB SER 80 2.122 -6.225 4.716 583 HG SER 80 HG SER 80 3.256 -4.536 4.138 584 H THR 81 H THR 81 -0.773 -5.707 6.493 585 HA THR 81 HA THR 81 -1.056 -8.486 6.587 586 HB THR 81 HB THR 81 -2.754 -6.376 7.926 587 HG1 THR 81 1HG THR 81 -0.370 -6.585 8.267 588 HG21 THR 81 3HG2 THR 81 -3.979 -8.414 8.046 589 HG22 THR 81 1HG2 THR 81 -3.123 -8.287 9.583 590 HG23 THR 81 2HG2 THR 81 -2.514 -9.358 8.322 591 H ALA 82 H ALA 82 -3.340 -6.008 5.509 592 HA ALA 82 HA ALA 82 -5.438 -7.828 4.880 593 HB1 ALA 82 1HB ALA 82 -6.443 -5.972 3.687 594 HB2 ALA 82 2HB ALA 82 -4.910 -5.103 3.683 595 HB3 ALA 82 3HB ALA 82 -5.762 -5.378 5.204 596 H LEU 83 H LEU 83 -2.710 -6.474 2.994 597 HA LEU 83 HA LEU 83 -3.570 -7.377 0.498 598 HB2 LEU 83 2HB LEU 83 -1.553 -5.832 1.315 599 HB3 LEU 83 1HB LEU 83 -0.647 -7.332 1.114 600 HG LEU 83 HG LEU 83 -0.545 -6.196 -0.950 601 HD11 LEU 83 1HD1 LEU 83 -1.472 -7.765 -2.486 602 HD12 LEU 83 2HD1 LEU 83 -2.736 -8.213 -1.350 603 HD13 LEU 83 3HD1 LEU 83 -1.068 -8.643 -1.017 604 HD21 LEU 83 3HD2 LEU 83 -2.153 -4.969 -1.946 605 HD22 LEU 83 1HD2 LEU 83 -2.781 -4.891 -0.306 606 HD23 LEU 83 2HD2 LEU 83 -3.451 -6.054 -1.445 607 H VAL 84 H VAL 84 -1.270 -8.869 2.790 608 HA VAL 84 HA VAL 84 -0.857 -11.212 1.273 609 HB VAL 84 HB VAL 84 0.623 -10.509 3.112 610 HG11 VAL 84 1HG1 VAL 84 -1.673 -11.361 4.900 611 HG12 VAL 84 2HG1 VAL 84 -1.132 -9.710 4.629 612 HG13 VAL 84 3HG1 VAL 84 -0.072 -10.851 5.440 613 HG21 VAL 84 3HG2 VAL 84 0.761 -12.841 2.464 614 HG22 VAL 84 1HG2 VAL 84 -0.672 -13.242 3.413 615 HG23 VAL 84 2HG2 VAL 84 0.816 -12.774 4.227 616 H ALA 85 H ALA 85 -3.375 -10.253 3.520 617 HA ALA 85 HA ALA 85 -4.488 -12.777 4.054 618 HB1 ALA 85 1HB ALA 85 -6.443 -11.579 4.714 619 HB2 ALA 85 2HB ALA 85 -6.013 -10.201 3.701 620 HB3 ALA 85 3HB ALA 85 -5.065 -10.566 5.145 621 H GLU 86 H GLU 86 -5.025 -10.462 1.407 622 HA GLU 86 HA GLU 86 -7.168 -11.718 0.148 623 HB2 GLU 86 2HB GLU 86 -6.791 -10.270 -1.609 624 HB3 GLU 86 1HB GLU 86 -5.791 -9.485 -0.387 625 HG2 GLU 86 2HG GLU 86 -4.351 -9.604 -2.214 626 HG3 GLU 86 1HG GLU 86 -3.897 -11.027 -1.285 627 H LEU 87 H LEU 87 -3.897 -12.724 0.405 628 HA LEU 87 HA LEU 87 -3.990 -14.539 -1.870 629 HB2 LEU 87 2HB LEU 87 -1.879 -13.390 -1.205 630 HB3 LEU 87 1HB LEU 87 -1.891 -14.304 0.300 631 HG LEU 87 HG LEU 87 -1.809 -16.417 -1.006 632 HD11 LEU 87 1HD1 LEU 87 -2.742 -16.037 -3.108 633 HD12 LEU 87 2HD1 LEU 87 -1.029 -15.953 -3.502 634 HD13 LEU 87 3HD1 LEU 87 -1.957 -14.467 -3.291 635 HD21 LEU 87 3HD2 LEU 87 0.369 -14.476 -1.816 636 HD22 LEU 87 1HD2 LEU 87 0.529 -16.221 -1.611 637 HD23 LEU 87 2HD2 LEU 87 0.241 -15.186 -0.209 638 H ARG 88 H ARG 88 -4.795 -14.607 1.469 639 HA ARG 88 HA ARG 88 -4.501 -17.475 1.760 640 HB2 ARG 88 2HB ARG 88 -5.777 -15.353 3.497 641 HB3 ARG 88 1HB ARG 88 -5.677 -17.060 3.937 642 HG2 ARG 88 2HG ARG 88 -3.219 -16.969 3.760 643 HG3 ARG 88 1HG ARG 88 -3.312 -15.267 3.302 644 HD2 ARG 88 2HD ARG 88 -2.829 -15.405 5.680 645 HD3 ARG 88 1HD ARG 88 -4.470 -14.797 5.466 646 HE ARG 88 HE ARG 88 -4.330 -17.669 5.767 647 HH11 ARG 88 1HH2 ARG 88 -4.499 -14.595 7.343 648 HH12 ARG 88 2HH2 ARG 88 -5.194 -15.225 8.799 649 HH21 ARG 88 1HH1 ARG 88 -5.239 -18.504 7.671 650 HH22 ARG 88 2HH1 ARG 88 -5.613 -17.439 8.985 651 H SER 89 H SER 89 -7.316 -16.806 3.258 652 HA SER 89 HA SER 89 -9.025 -17.550 0.949 653 HB2 SER 89 2HB SER 89 -10.239 -19.086 2.477 654 HB3 SER 89 1HB SER 89 -8.564 -19.573 2.230 655 HG SER 89 HG SER 89 -8.279 -19.336 4.289 656 H ALA 90 H ALA 90 -8.755 -14.944 1.812 657 HA ALA 90 HA ALA 90 -10.532 -14.112 3.824 658 HB1 ALA 90 1HB ALA 90 -9.940 -12.563 1.300 659 HB2 ALA 90 2HB ALA 90 -8.780 -12.711 2.620 660 HB3 ALA 90 3HB ALA 90 -10.335 -11.927 2.896 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 -2.416 -10.782 -19.372 2 H2 GLY 1 2HT GLY 1 -3.559 -9.982 -18.401 3 H3 GLY 1 3HT GLY 1 -2.592 -11.212 -17.740 4 HA2 GLY 1 2HA GLY 1 -2.043 -8.429 -18.027 5 HA3 GLY 1 1HA GLY 1 -1.201 -9.640 -17.059 6 H HIS 2 H HIS 2 -0.229 -7.453 -18.892 7 HA HIS 2 HA HIS 2 0.933 -8.690 -21.186 8 HB2 HIS 2 2HB HIS 2 1.567 -6.114 -19.734 9 HB3 HIS 2 1HB HIS 2 2.358 -6.615 -21.228 10 HD1 HIS 2 1HD HIS 2 0.994 -4.219 -21.890 11 HD2 HIS 2 2HD HIS 2 -1.217 -7.735 -21.537 12 HE1 HIS 2 1HE HIS 2 -1.182 -3.823 -23.122 13 HE2 HIS 2 2HE HIS 2 -2.543 -5.957 -22.916 14 H MET 3 H MET 3 1.919 -8.262 -17.856 15 HA MET 3 HA MET 3 4.431 -9.742 -18.432 16 HB2 MET 3 2HB MET 3 4.727 -7.315 -17.764 17 HB3 MET 3 1HB MET 3 4.042 -7.745 -16.198 18 HG2 MET 3 2HG MET 3 5.807 -9.373 -15.816 19 HG3 MET 3 1HG MET 3 6.454 -9.102 -17.433 20 HE1 MET 3 3HE MET 3 8.470 -7.517 -14.133 21 HE2 MET 3 1HE MET 3 8.329 -9.010 -15.070 22 HE3 MET 3 2HE MET 3 7.055 -8.551 -13.944 23 H SER 4 H SER 4 5.169 -11.141 -16.751 24 HA SER 4 HA SER 4 3.155 -12.758 -15.624 25 HB2 SER 4 2HB SER 4 5.235 -13.798 -16.046 26 HB3 SER 4 1HB SER 4 6.128 -12.559 -15.167 27 HG SER 4 HG SER 4 5.862 -13.748 -13.466 28 H ASP 5 H ASP 5 5.159 -10.197 -14.248 29 HA ASP 5 HA ASP 5 5.093 -9.106 -12.231 30 HB2 ASP 5 2HB ASP 5 2.179 -9.728 -12.698 31 HB3 ASP 5 1HB ASP 5 2.752 -8.718 -11.381 32 H LEU 6 H LEU 6 6.062 -11.524 -11.823 33 HA LEU 6 HA LEU 6 6.438 -13.128 -10.248 34 HB2 LEU 6 2HB LEU 6 6.154 -11.034 -8.770 35 HB3 LEU 6 1HB LEU 6 4.532 -11.637 -8.438 36 HG LEU 6 HG LEU 6 5.542 -13.799 -7.689 37 HD11 LEU 6 1HD1 LEU 6 7.670 -14.081 -8.537 38 HD12 LEU 6 2HD1 LEU 6 8.119 -13.316 -7.018 39 HD13 LEU 6 3HD1 LEU 6 8.037 -12.357 -8.492 40 HD21 LEU 6 3HD2 LEU 6 6.622 -11.371 -6.239 41 HD22 LEU 6 1HD2 LEU 6 6.197 -12.929 -5.531 42 HD23 LEU 6 2HD2 LEU 6 4.933 -11.874 -6.182 43 H SER 7 H SER 7 5.539 -15.070 -9.454 44 HA SER 7 HA SER 7 3.408 -16.152 -10.802 45 HB2 SER 7 2HB SER 7 4.921 -17.583 -9.606 46 HB3 SER 7 1HB SER 7 4.507 -16.830 -8.068 47 HG SER 7 HG SER 7 3.148 -18.718 -9.571 48 H THR 8 H THR 8 1.428 -17.134 -9.512 49 HA THR 8 HA THR 8 -0.168 -14.849 -8.711 50 HB THR 8 HB THR 8 -1.950 -16.700 -8.496 51 HG1 THR 8 1HG THR 8 -0.777 -18.511 -8.384 52 HG21 THR 8 3HG2 THR 8 -2.255 -16.771 -10.925 53 HG22 THR 8 1HG2 THR 8 -0.577 -16.289 -11.168 54 HG23 THR 8 2HG2 THR 8 -1.720 -15.164 -10.437 55 H ALA 9 H ALA 9 2.057 -16.107 -7.014 56 HA ALA 9 HA ALA 9 0.500 -16.128 -4.508 57 HB1 ALA 9 1HB ALA 9 2.761 -18.056 -5.043 58 HB2 ALA 9 2HB ALA 9 1.061 -18.479 -5.257 59 HB3 ALA 9 3HB ALA 9 1.665 -18.028 -3.661 60 HA PRO 10 HA PRO 10 4.181 -13.251 -4.487 61 HB2 PRO 10 2HB PRO 10 2.161 -11.521 -3.173 62 HB3 PRO 10 1HB PRO 10 3.280 -11.123 -4.495 63 HG2 PRO 10 2HG PRO 10 0.680 -11.422 -4.943 64 HG3 PRO 10 1HG PRO 10 1.888 -12.012 -6.108 65 HD2 PRO 10 2HD PRO 10 0.303 -13.594 -4.087 66 HD3 PRO 10 1HD PRO 10 0.696 -13.986 -5.768 67 H THR 11 H THR 11 5.111 -12.124 -2.531 68 HA THR 11 HA THR 11 4.425 -13.585 -0.041 69 HB THR 11 HB THR 11 7.136 -12.466 -0.760 70 HG1 THR 11 1HG THR 11 7.579 -14.291 -1.735 71 HG21 THR 11 3HG2 THR 11 7.849 -14.056 1.013 72 HG22 THR 11 1HG2 THR 11 6.157 -14.473 1.286 73 HG23 THR 11 2HG2 THR 11 6.729 -12.837 1.619 74 H LEU 12 H LEU 12 4.480 -12.446 1.875 75 HA LEU 12 HA LEU 12 3.412 -9.928 1.977 76 HB2 LEU 12 2HB LEU 12 5.189 -11.360 3.958 77 HB3 LEU 12 1HB LEU 12 4.436 -9.808 4.316 78 HG LEU 12 HG LEU 12 2.208 -10.814 3.775 79 HD11 LEU 12 1HD1 LEU 12 2.641 -12.649 2.367 80 HD12 LEU 12 2HD1 LEU 12 2.276 -13.430 3.903 81 HD13 LEU 12 3HD1 LEU 12 3.949 -13.250 3.386 82 HD21 LEU 12 3HD2 LEU 12 2.912 -10.670 6.100 83 HD22 LEU 12 1HD2 LEU 12 3.872 -12.142 5.942 84 HD23 LEU 12 2HD2 LEU 12 2.112 -12.223 5.857 85 H ASP 13 H ASP 13 6.783 -10.824 1.673 86 HA ASP 13 HA ASP 13 7.819 -8.207 2.187 87 HB2 ASP 13 2HB ASP 13 9.245 -10.257 0.516 88 HB3 ASP 13 1HB ASP 13 9.919 -9.058 1.609 89 H SER 14 H SER 14 6.857 -9.972 -0.754 90 HA SER 14 HA SER 14 7.905 -8.069 -2.569 91 HB2 SER 14 2HB SER 14 6.426 -9.151 -4.201 92 HB3 SER 14 1HB SER 14 7.392 -10.310 -3.295 93 HG SER 14 HG SER 14 5.616 -10.789 -2.043 94 H LEU 15 H LEU 15 4.748 -8.420 -0.980 95 HA LEU 15 HA LEU 15 3.625 -6.214 -2.419 96 HB2 LEU 15 2HB LEU 15 2.787 -7.885 -0.078 97 HB3 LEU 15 1HB LEU 15 1.891 -6.421 -0.461 98 HG LEU 15 HG LEU 15 1.250 -7.228 -2.595 99 HD11 LEU 15 1HD1 LEU 15 3.363 -8.141 -3.416 100 HD12 LEU 15 2HD1 LEU 15 2.141 -9.375 -3.500 101 HD13 LEU 15 3HD1 LEU 15 3.321 -9.403 -2.191 102 HD21 LEU 15 3HD2 LEU 15 0.238 -8.358 -0.545 103 HD22 LEU 15 1HD2 LEU 15 1.306 -9.716 -0.889 104 HD23 LEU 15 2HD2 LEU 15 0.086 -9.247 -2.068 105 H ARG 16 H ARG 16 4.298 -6.583 1.053 106 HA ARG 16 HA ARG 16 4.069 -4.078 1.981 107 HB2 ARG 16 2HB ARG 16 4.868 -5.824 3.420 108 HB3 ARG 16 1HB ARG 16 6.360 -5.976 2.504 109 HG2 ARG 16 2HG ARG 16 5.792 -3.247 3.561 110 HG3 ARG 16 1HG ARG 16 6.111 -4.468 4.784 111 HD2 ARG 16 2HD ARG 16 8.214 -5.079 3.558 112 HD3 ARG 16 1HD ARG 16 7.923 -3.740 2.465 113 HE ARG 16 HE ARG 16 7.873 -2.882 5.191 114 HH11 ARG 16 1HH2 ARG 16 9.882 -3.795 2.537 115 HH12 ARG 16 2HH2 ARG 16 11.239 -2.850 3.055 116 HH21 ARG 16 1HH1 ARG 16 9.634 -1.635 5.883 117 HH22 ARG 16 2HH1 ARG 16 11.098 -1.623 4.956 118 H VAL 17 H VAL 17 7.016 -5.221 0.279 119 HA VAL 17 HA VAL 17 8.365 -2.738 0.280 120 HB VAL 17 HB VAL 17 9.744 -3.735 -1.501 121 HG11 VAL 17 1HG1 VAL 17 10.053 -6.085 -0.244 122 HG12 VAL 17 2HG1 VAL 17 8.978 -5.328 0.932 123 HG13 VAL 17 3HG1 VAL 17 10.516 -4.567 0.535 124 HG21 VAL 17 3HG2 VAL 17 7.437 -5.614 -1.580 125 HG22 VAL 17 1HG2 VAL 17 9.004 -6.137 -2.153 126 HG23 VAL 17 2HG2 VAL 17 8.184 -4.778 -2.919 127 H TRP 18 H TRP 18 6.048 -4.213 -2.009 128 HA TRP 18 HA TRP 18 6.274 -2.320 -4.080 129 HB2 TRP 18 2HB TRP 18 4.629 -3.586 -5.017 130 HB3 TRP 18 1HB TRP 18 4.655 -4.546 -3.551 131 HD1 TRP 18 HD TRP 18 2.514 -4.391 -1.997 132 HE1 TRP 18 1HE TRP 18 0.366 -3.053 -2.036 133 HE3 TRP 18 3HE TRP 18 3.491 -1.197 -5.884 134 HZ2 TRP 18 2HZ TRP 18 -0.802 -0.969 -3.438 135 HZ3 TRP 18 3HZ TRP 18 1.787 0.462 -6.527 136 HH2 TRP 18 HH TRP 18 -0.351 0.551 -5.294 137 H LEU 19 H LEU 19 4.072 -2.319 -1.267 138 HA LEU 19 HA LEU 19 2.703 0.068 -1.829 139 HB2 LEU 19 2HB LEU 19 3.198 -1.645 0.540 140 HB3 LEU 19 1HB LEU 19 2.784 0.007 0.925 141 HG LEU 19 HG LEU 19 1.054 -1.175 -1.164 142 HD11 LEU 19 1HD1 LEU 19 0.513 -2.122 1.621 143 HD12 LEU 19 2HD1 LEU 19 1.515 -3.093 0.542 144 HD13 LEU 19 3HD1 LEU 19 -0.132 -2.709 0.097 145 HD21 LEU 19 3HD2 LEU 19 0.261 0.095 1.429 146 HD22 LEU 19 1HD2 LEU 19 -0.619 0.071 -0.097 147 HD23 LEU 19 2HD2 LEU 19 0.830 1.058 0.071 148 H VAL 20 H VAL 20 5.492 -0.343 0.410 149 HA VAL 20 HA VAL 20 5.773 2.418 0.838 150 HB VAL 20 HB VAL 20 6.740 0.800 2.343 151 HG11 VAL 20 1HG1 VAL 20 8.744 0.043 0.213 152 HG12 VAL 20 2HG1 VAL 20 7.225 -0.821 0.389 153 HG13 VAL 20 3HG1 VAL 20 8.369 -0.792 1.718 154 HG21 VAL 20 3HG2 VAL 20 8.842 1.838 2.676 155 HG22 VAL 20 1HG2 VAL 20 7.878 3.056 1.846 156 HG23 VAL 20 2HG2 VAL 20 9.071 2.122 0.948 157 H ASP 21 H ASP 21 7.542 0.210 -1.337 158 HA ASP 21 HA ASP 21 9.223 2.140 -2.469 159 HB2 ASP 21 2HB ASP 21 9.522 -0.301 -2.733 160 HB3 ASP 21 1HB ASP 21 8.103 -0.354 -3.777 161 H CYS 22 H CYS 22 5.927 1.253 -3.181 162 HA CYS 22 HA CYS 22 5.671 2.557 -5.684 163 HB2 CYS 22 2HB CYS 22 3.953 1.026 -5.078 164 HB3 CYS 22 1HB CYS 22 3.655 1.850 -3.552 165 HG CYS 22 HG CYS 22 1.832 2.760 -5.123 166 H VAL 23 H VAL 23 4.994 3.653 -2.354 167 HA VAL 23 HA VAL 23 4.132 6.255 -3.063 168 HB VAL 23 HB VAL 23 5.529 5.327 -0.529 169 HG11 VAL 23 1HG1 VAL 23 5.545 7.772 -0.757 170 HG12 VAL 23 2HG1 VAL 23 4.381 7.286 0.470 171 HG13 VAL 23 3HG1 VAL 23 3.833 7.747 -1.132 172 HG21 VAL 23 3HG2 VAL 23 2.576 5.658 -1.128 173 HG22 VAL 23 1HG2 VAL 23 3.289 5.088 0.390 174 HG23 VAL 23 2HG2 VAL 23 3.411 4.107 -1.084 175 H ALA 24 H ALA 24 7.365 5.067 -2.063 176 HA ALA 24 HA ALA 24 8.778 7.436 -2.113 177 HB1 ALA 24 1HB ALA 24 9.933 5.508 -1.394 178 HB2 ALA 24 2HB ALA 24 10.725 5.955 -2.905 179 HB3 ALA 24 3HB ALA 24 9.561 4.632 -2.878 180 H GLY 25 H GLY 25 8.310 5.241 -4.887 181 HA2 GLY 25 2HA GLY 25 9.589 7.011 -6.708 182 HA3 GLY 25 1HA GLY 25 8.595 5.627 -7.145 183 H HIS 26 H HIS 26 6.115 6.331 -6.078 184 HA HIS 26 HA HIS 26 5.134 8.065 -8.070 185 HB2 HIS 26 2HB HIS 26 3.711 6.345 -7.205 186 HB3 HIS 26 1HB HIS 26 3.921 6.919 -5.552 187 HD1 HIS 26 1HD HIS 26 2.715 8.451 -8.851 188 HD2 HIS 26 2HD HIS 26 1.832 8.485 -4.776 189 HE1 HIS 26 1HE HIS 26 0.724 9.993 -8.566 190 HE2 HIS 26 2HE HIS 26 0.181 10.037 -6.085 191 H LEU 27 H LEU 27 5.499 8.494 -4.561 192 HA LEU 27 HA LEU 27 4.698 11.267 -4.769 193 HB2 LEU 27 2HB LEU 27 4.942 9.266 -2.644 194 HB3 LEU 27 1HB LEU 27 5.634 10.798 -2.145 195 HG LEU 27 HG LEU 27 2.902 10.599 -3.436 196 HD11 LEU 27 1HD1 LEU 27 2.271 10.991 -0.828 197 HD12 LEU 27 2HD1 LEU 27 3.711 10.004 -0.617 198 HD13 LEU 27 3HD1 LEU 27 2.346 9.391 -1.557 199 HD21 LEU 27 3HD2 LEU 27 4.365 12.672 -1.766 200 HD22 LEU 27 1HD2 LEU 27 2.635 12.758 -2.079 201 HD23 LEU 27 2HD2 LEU 27 3.774 12.844 -3.417 202 H GLY 28 H GLY 28 7.690 9.449 -4.695 203 HA2 GLY 28 2HA GLY 28 9.836 10.348 -5.158 204 HA3 GLY 28 1HA GLY 28 9.146 11.966 -5.061 205 H LEU 29 H LEU 29 9.859 9.162 -2.963 206 HA LEU 29 HA LEU 29 10.972 10.899 -0.938 207 HB2 LEU 29 2HB LEU 29 8.552 9.196 -0.491 208 HB3 LEU 29 1HB LEU 29 9.556 9.750 0.841 209 HG LEU 29 HG LEU 29 8.214 11.519 -1.205 210 HD11 LEU 29 1HD1 LEU 29 6.481 10.570 0.112 211 HD12 LEU 29 2HD1 LEU 29 6.772 12.168 0.799 212 HD13 LEU 29 3HD1 LEU 29 7.414 10.731 1.599 213 HD21 LEU 29 3HD2 LEU 29 10.085 12.013 1.077 214 HD22 LEU 29 1HD2 LEU 29 8.771 13.167 0.862 215 HD23 LEU 29 2HD2 LEU 29 9.912 12.885 -0.442 216 H ASP 30 H ASP 30 12.244 9.785 0.622 217 HA ASP 30 HA ASP 30 13.593 7.485 -0.378 218 HB2 ASP 30 2HB ASP 30 14.854 8.971 0.983 219 HB3 ASP 30 1HB ASP 30 13.661 8.934 2.271 220 H ALA 31 H ALA 31 12.908 5.444 -0.302 221 HA ALA 31 HA ALA 31 10.621 4.555 1.010 222 HB1 ALA 31 1HB ALA 31 13.014 3.025 0.042 223 HB2 ALA 31 2HB ALA 31 11.509 3.321 -0.833 224 HB3 ALA 31 3HB ALA 31 11.513 2.277 0.588 225 H ALA 32 H ALA 32 14.012 4.483 2.041 226 HA ALA 32 HA ALA 32 13.634 2.878 4.337 227 HB1 ALA 32 1HB ALA 32 15.829 3.477 4.923 228 HB2 ALA 32 2HB ALA 32 15.710 5.053 4.141 229 HB3 ALA 32 3HB ALA 32 15.823 3.592 3.164 230 H THR 33 H THR 33 12.531 5.981 3.651 231 HA THR 33 HA THR 33 11.824 6.372 6.476 232 HB THR 33 HB THR 33 12.400 8.913 5.986 233 HG1 THR 33 1HG THR 33 14.311 8.991 4.697 234 HG21 THR 33 3HG2 THR 33 14.432 6.762 6.651 235 HG22 THR 33 1HG2 THR 33 13.420 7.643 7.792 236 HG23 THR 33 2HG2 THR 33 14.702 8.484 6.920 237 H ILE 34 H ILE 34 10.203 5.472 4.332 238 HA ILE 34 HA ILE 34 8.777 7.715 3.250 239 HB ILE 34 HB ILE 34 8.571 4.771 3.167 240 HG12 ILE 34 2HG1 ILE 34 9.519 6.369 1.423 241 HG13 ILE 34 1HG1 ILE 34 8.408 5.130 0.832 242 HG21 ILE 34 1HG2 ILE 34 6.094 6.450 3.019 243 HG22 ILE 34 2HG2 ILE 34 6.320 4.889 3.804 244 HG23 ILE 34 3HG2 ILE 34 6.242 4.984 2.059 245 HD11 ILE 34 3HD1 ILE 34 7.889 8.076 1.267 246 HD12 ILE 34 1HD1 ILE 34 6.582 6.932 1.084 247 HD13 ILE 34 2HD1 ILE 34 7.714 7.134 -0.205 248 H ALA 35 H ALA 35 7.390 5.179 5.265 249 HA ALA 35 HA ALA 35 6.607 6.761 7.413 250 HB1 ALA 35 1HB ALA 35 4.743 6.735 5.042 251 HB2 ALA 35 2HB ALA 35 5.209 8.106 6.065 252 HB3 ALA 35 3HB ALA 35 4.100 6.889 6.679 253 H THR 36 H THR 36 7.243 3.936 6.234 254 HA THR 36 HA THR 36 5.365 2.072 6.363 255 HB THR 36 HB THR 36 6.975 0.537 7.111 256 HG1 THR 36 1HG THR 36 7.418 1.206 9.125 257 HG21 THR 36 3HG2 THR 36 7.736 2.010 5.176 258 HG22 THR 36 1HG2 THR 36 9.028 1.205 6.067 259 HG23 THR 36 2HG2 THR 36 8.692 2.912 6.352 260 H ASP 37 H ASP 37 6.583 3.795 9.236 261 HA ASP 37 HA ASP 37 4.656 2.396 10.943 262 HB2 ASP 37 2HB ASP 37 5.814 3.661 12.758 263 HB3 ASP 37 1HB ASP 37 6.908 2.641 11.825 264 H LEU 38 H LEU 38 5.034 5.339 9.193 265 HA LEU 38 HA LEU 38 3.048 6.737 10.836 266 HB2 LEU 38 2HB LEU 38 4.986 7.600 8.730 267 HB3 LEU 38 1HB LEU 38 3.624 8.629 9.092 268 HG LEU 38 HG LEU 38 5.371 7.564 11.319 269 HD11 LEU 38 1HD1 LEU 38 6.611 9.794 11.097 270 HD12 LEU 38 2HD1 LEU 38 5.918 9.902 9.475 271 HD13 LEU 38 3HD1 LEU 38 6.999 8.567 9.888 272 HD21 LEU 38 3HD2 LEU 38 4.674 9.808 12.291 273 HD22 LEU 38 1HD2 LEU 38 3.358 8.666 12.044 274 HD23 LEU 38 2HD2 LEU 38 3.600 9.989 10.906 275 HA PRO 39 HA PRO 39 -0.200 5.983 7.945 276 HB2 PRO 39 2HB PRO 39 -1.744 8.216 8.277 277 HB3 PRO 39 1HB PRO 39 -1.650 6.917 9.482 278 HG2 PRO 39 2HG PRO 39 -0.245 9.553 9.432 279 HG3 PRO 39 1HG PRO 39 -1.005 8.703 10.793 280 HD2 PRO 39 2HD PRO 39 1.697 8.668 10.375 281 HD3 PRO 39 1HD PRO 39 0.829 7.315 11.131 282 H LEU 40 H LEU 40 -1.526 7.355 6.211 283 HA LEU 40 HA LEU 40 0.395 8.262 4.265 284 HB2 LEU 40 2HB LEU 40 -1.423 8.363 2.727 285 HB3 LEU 40 1HB LEU 40 -1.705 6.942 3.725 286 HG LEU 40 HG LEU 40 -2.983 9.648 4.227 287 HD11 LEU 40 1HD1 LEU 40 -4.250 7.170 3.063 288 HD12 LEU 40 2HD1 LEU 40 -3.673 8.518 2.083 289 HD13 LEU 40 3HD1 LEU 40 -4.982 8.766 3.240 290 HD21 LEU 40 3HD2 LEU 40 -2.963 8.489 6.271 291 HD22 LEU 40 1HD2 LEU 40 -3.193 6.930 5.488 292 HD23 LEU 40 2HD2 LEU 40 -4.528 8.076 5.586 293 H THR 41 H THR 41 -1.757 9.719 6.548 294 HA THR 41 HA THR 41 -2.147 12.237 5.452 295 HB THR 41 HB THR 41 -1.622 11.805 8.394 296 HG1 THR 41 1HG THR 41 -2.990 10.156 7.640 297 HG21 THR 41 3HG2 THR 41 -3.179 13.591 8.674 298 HG22 THR 41 1HG2 THR 41 -3.713 13.481 6.998 299 HG23 THR 41 2HG2 THR 41 -2.105 14.102 7.370 300 H SER 42 H SER 42 0.682 10.912 7.104 301 HA SER 42 HA SER 42 2.116 13.153 7.709 302 HB2 SER 42 2HB SER 42 3.156 10.579 6.482 303 HB3 SER 42 1HB SER 42 4.134 11.760 7.346 304 HG SER 42 HG SER 42 2.213 11.339 8.961 305 H TYR 43 H TYR 43 1.473 11.798 4.532 306 HA TYR 43 HA TYR 43 3.403 13.343 3.112 307 HB2 TYR 43 2HB TYR 43 0.822 12.203 2.040 308 HB3 TYR 43 1HB TYR 43 2.250 12.617 1.118 309 HD1 TYR 43 1HD TYR 43 4.476 11.505 2.676 310 HD2 TYR 43 2HD TYR 43 0.561 9.879 1.938 311 HE1 TYR 43 1HE TYR 43 5.350 9.221 3.034 312 HE2 TYR 43 2HE TYR 43 1.451 7.599 2.295 313 HH TYR 43 HH TYR 43 3.401 6.397 2.357 314 H GLY 44 H GLY 44 0.673 14.270 4.741 315 HA2 GLY 44 2HA GLY 44 -0.472 16.258 4.866 316 HA3 GLY 44 1HA GLY 44 0.831 16.950 3.905 317 H LEU 45 H LEU 45 -0.931 14.241 2.674 318 HA LEU 45 HA LEU 45 -1.724 15.716 0.358 319 HB2 LEU 45 2HB LEU 45 -2.419 13.655 -0.507 320 HB3 LEU 45 1HB LEU 45 -1.040 13.255 0.495 321 HG LEU 45 HG LEU 45 -3.956 12.972 1.332 322 HD11 LEU 45 1HD1 LEU 45 -3.010 11.311 -0.378 323 HD12 LEU 45 2HD1 LEU 45 -3.687 10.630 1.098 324 HD13 LEU 45 3HD1 LEU 45 -1.938 10.769 0.912 325 HD21 LEU 45 3HD2 LEU 45 -2.666 13.438 3.291 326 HD22 LEU 45 1HD2 LEU 45 -1.333 12.451 2.725 327 HD23 LEU 45 2HD2 LEU 45 -2.832 11.695 3.241 328 H ASP 46 H ASP 46 -3.677 16.496 -0.229 329 HA ASP 46 HA ASP 46 -5.595 17.105 1.744 330 HB2 ASP 46 2HB ASP 46 -5.319 18.390 -0.352 331 HB3 ASP 46 1HB ASP 46 -5.978 17.026 -1.256 332 H SER 47 H SER 47 -7.965 16.479 1.514 333 HA SER 47 HA SER 47 -8.243 13.679 1.903 334 HB2 SER 47 2HB SER 47 -9.777 15.036 3.077 335 HB3 SER 47 1HB SER 47 -10.207 15.948 1.634 336 HG SER 47 HG SER 47 -11.292 14.179 0.859 337 H VAL 48 H VAL 48 -8.792 15.805 -0.829 338 HA VAL 48 HA VAL 48 -10.230 13.919 -2.427 339 HB VAL 48 HB VAL 48 -8.654 16.377 -3.230 340 HG11 VAL 48 1HG1 VAL 48 -10.226 16.219 -5.244 341 HG12 VAL 48 2HG1 VAL 48 -10.572 14.572 -4.719 342 HG13 VAL 48 3HG1 VAL 48 -8.931 15.024 -5.181 343 HG21 VAL 48 3HG2 VAL 48 -11.642 16.010 -2.888 344 HG22 VAL 48 1HG2 VAL 48 -10.773 17.521 -3.164 345 HG23 VAL 48 2HG2 VAL 48 -10.599 16.670 -1.626 346 H TYR 49 H TYR 49 -6.880 14.480 -1.742 347 HA TYR 49 HA TYR 49 -5.768 13.296 -4.062 348 HB2 TYR 49 2HB TYR 49 -4.743 14.592 -1.870 349 HB3 TYR 49 1HB TYR 49 -4.278 12.925 -1.523 350 HD1 TYR 49 2HD TYR 49 -4.444 15.194 -4.518 351 HD2 TYR 49 1HD TYR 49 -2.172 12.295 -2.311 352 HE1 TYR 49 2HE TYR 49 -2.600 15.382 -6.160 353 HE2 TYR 49 1HE TYR 49 -0.330 12.487 -3.936 354 HH TYR 49 HH TYR 49 0.351 13.403 -5.849 355 H ALA 50 H ALA 50 -6.422 11.951 -0.829 356 HA ALA 50 HA ALA 50 -5.488 9.394 -1.127 357 HB1 ALA 50 1HB ALA 50 -6.472 10.220 0.960 358 HB2 ALA 50 2HB ALA 50 -7.227 8.698 0.483 359 HB3 ALA 50 3HB ALA 50 -8.071 10.223 0.219 360 H LEU 51 H LEU 51 -8.435 10.773 -2.424 361 HA LEU 51 HA LEU 51 -9.643 8.360 -3.270 362 HB2 LEU 51 2HB LEU 51 -10.928 10.399 -3.176 363 HB3 LEU 51 1HB LEU 51 -9.870 11.174 -4.345 364 HG LEU 51 HG LEU 51 -11.041 8.610 -5.286 365 HD11 LEU 51 1HD1 LEU 51 -13.247 9.688 -5.787 366 HD12 LEU 51 2HD1 LEU 51 -12.784 11.031 -4.740 367 HD13 LEU 51 3HD1 LEU 51 -12.977 9.415 -4.065 368 HD21 LEU 51 3HD2 LEU 51 -11.207 11.333 -6.593 369 HD22 LEU 51 1HD2 LEU 51 -11.124 9.746 -7.357 370 HD23 LEU 51 2HD2 LEU 51 -9.694 10.431 -6.581 371 H SER 52 H SER 52 -7.544 10.667 -5.011 372 HA SER 52 HA SER 52 -7.500 9.168 -7.428 373 HB2 SER 52 2HB SER 52 -6.939 11.648 -7.040 374 HB3 SER 52 1HB SER 52 -5.342 11.077 -6.534 375 HG SER 52 HG SER 52 -6.655 10.792 -9.035 376 H ILE 53 H ILE 53 -5.098 9.557 -4.822 377 HA ILE 53 HA ILE 53 -3.194 7.794 -5.914 378 HB ILE 53 HB ILE 53 -3.692 8.365 -2.989 379 HG12 ILE 53 2HG1 ILE 53 -3.605 10.475 -4.201 380 HG13 ILE 53 1HG1 ILE 53 -2.081 10.244 -3.342 381 HG21 ILE 53 1HG2 ILE 53 -1.173 8.092 -2.933 382 HG22 ILE 53 2HG2 ILE 53 -1.278 7.481 -4.586 383 HG23 ILE 53 3HG2 ILE 53 -2.078 6.619 -3.273 384 HD11 ILE 53 3HD1 ILE 53 -2.651 10.061 -6.280 385 HD12 ILE 53 1HD1 ILE 53 -1.300 9.161 -5.607 386 HD13 ILE 53 2HD1 ILE 53 -1.353 10.909 -5.451 387 H ALA 54 H ALA 54 -5.504 7.229 -3.261 388 HA ALA 54 HA ALA 54 -5.019 4.531 -2.877 389 HB1 ALA 54 1HB ALA 54 -7.772 5.776 -2.757 390 HB2 ALA 54 2HB ALA 54 -6.555 5.958 -1.489 391 HB3 ALA 54 3HB ALA 54 -7.196 4.366 -1.875 392 H ALA 55 H ALA 55 -7.009 6.110 -5.310 393 HA ALA 55 HA ALA 55 -8.177 3.726 -6.376 394 HB1 ALA 55 1HB ALA 55 -7.783 6.497 -7.509 395 HB2 ALA 55 2HB ALA 55 -9.265 5.789 -6.871 396 HB3 ALA 55 3HB ALA 55 -8.597 5.206 -8.395 397 H GLU 56 H GLU 56 -5.301 5.619 -7.222 398 HA GLU 56 HA GLU 56 -4.610 4.130 -9.537 399 HB2 GLU 56 2HB GLU 56 -3.003 5.866 -7.667 400 HB3 GLU 56 1HB GLU 56 -2.288 5.092 -9.083 401 HG2 GLU 56 2HG GLU 56 -3.859 6.224 -10.555 402 HG3 GLU 56 1HG GLU 56 -4.715 6.905 -9.178 403 H LEU 57 H LEU 57 -3.491 3.897 -6.168 404 HA LEU 57 HA LEU 57 -1.647 1.801 -6.505 405 HB2 LEU 57 2HB LEU 57 -3.433 2.419 -4.124 406 HB3 LEU 57 1HB LEU 57 -1.978 1.445 -4.068 407 HG LEU 57 HG LEU 57 -1.993 4.328 -4.997 408 HD11 LEU 57 1HD1 LEU 57 -0.950 4.688 -2.663 409 HD12 LEU 57 2HD1 LEU 57 -1.642 3.120 -2.253 410 HD13 LEU 57 3HD1 LEU 57 -2.695 4.447 -2.736 411 HD21 LEU 57 3HD2 LEU 57 -0.011 3.120 -5.725 412 HD22 LEU 57 1HD2 LEU 57 0.201 2.428 -4.119 413 HD23 LEU 57 2HD2 LEU 57 0.438 4.150 -4.378 414 H GLU 58 H GLU 58 -4.964 1.508 -5.191 415 HA GLU 58 HA GLU 58 -5.040 -1.281 -5.300 416 HB2 GLU 58 2HB GLU 58 -7.490 -1.034 -5.215 417 HB3 GLU 58 1HB GLU 58 -6.665 0.002 -4.084 418 HG2 GLU 58 2HG GLU 58 -7.998 1.643 -4.983 419 HG3 GLU 58 1HG GLU 58 -6.780 1.667 -6.237 420 H ASP 59 H ASP 59 -5.751 1.094 -7.809 421 HA ASP 59 HA ASP 59 -6.966 -0.615 -9.679 422 HB2 ASP 59 2HB ASP 59 -7.059 1.744 -10.047 423 HB3 ASP 59 1HB ASP 59 -5.303 1.888 -10.022 424 H HIS 60 H HIS 60 -3.627 -0.118 -8.807 425 HA HIS 60 HA HIS 60 -2.505 -1.437 -11.097 426 HB2 HIS 60 2HB HIS 60 -1.389 -0.727 -8.383 427 HB3 HIS 60 1HB HIS 60 -0.450 -1.632 -9.558 428 HD1 HIS 60 1HD HIS 60 -2.053 0.116 -11.910 429 HD2 HIS 60 2HD HIS 60 0.434 1.491 -8.863 430 HE1 HIS 60 1HE HIS 60 -1.185 2.370 -12.662 431 HE2 HIS 60 2HE HIS 60 0.335 3.223 -10.814 432 H LEU 61 H LEU 61 -3.543 -2.522 -7.906 433 HA LEU 61 HA LEU 61 -2.677 -5.267 -8.509 434 HB2 LEU 61 2HB LEU 61 -3.867 -4.100 -5.978 435 HB3 LEU 61 1HB LEU 61 -3.260 -5.739 -6.166 436 HG LEU 61 HG LEU 61 -1.552 -4.379 -5.094 437 HD11 LEU 61 1HD1 LEU 61 -1.010 -6.051 -7.044 438 HD12 LEU 61 2HD1 LEU 61 0.255 -4.995 -6.407 439 HD13 LEU 61 3HD1 LEU 61 -0.556 -4.579 -7.916 440 HD21 LEU 61 3HD2 LEU 61 -2.537 -2.276 -6.402 441 HD22 LEU 61 1HD2 LEU 61 -1.211 -2.647 -7.489 442 HD23 LEU 61 2HD2 LEU 61 -0.897 -2.305 -5.808 443 H ASP 62 H ASP 62 -5.020 -3.826 -9.821 444 HA ASP 62 HA ASP 62 -7.227 -4.233 -10.344 445 HB2 ASP 62 2HB ASP 62 -6.021 -6.967 -9.983 446 HB3 ASP 62 1HB ASP 62 -7.639 -6.719 -10.626 447 H VAL 63 H VAL 63 -7.481 -3.330 -7.971 448 HA VAL 63 HA VAL 63 -9.477 -5.024 -6.702 449 HB VAL 63 HB VAL 63 -8.328 -4.511 -4.418 450 HG11 VAL 63 1HG1 VAL 63 -8.552 -6.771 -5.484 451 HG12 VAL 63 2HG1 VAL 63 -7.092 -6.585 -4.517 452 HG13 VAL 63 3HG1 VAL 63 -7.000 -6.499 -6.270 453 HG21 VAL 63 3HG2 VAL 63 -6.076 -4.077 -6.388 454 HG22 VAL 63 1HG2 VAL 63 -5.770 -4.589 -4.736 455 HG23 VAL 63 2HG2 VAL 63 -6.554 -3.052 -5.046 456 H SER 64 H SER 64 -10.715 -3.836 -5.063 457 HA SER 64 HA SER 64 -10.599 -0.896 -5.455 458 HB2 SER 64 2HB SER 64 -13.063 -0.929 -5.126 459 HB3 SER 64 1HB SER 64 -12.563 -1.823 -6.560 460 HG SER 64 HG SER 64 -12.547 -3.377 -4.339 461 H LEU 65 H LEU 65 -10.817 0.380 -3.655 462 HA LEU 65 HA LEU 65 -10.711 -1.010 -1.037 463 HB2 LEU 65 2HB LEU 65 -9.849 1.842 -1.516 464 HB3 LEU 65 1HB LEU 65 -9.352 0.729 -0.241 465 HG LEU 65 HG LEU 65 -8.677 0.456 -3.165 466 HD11 LEU 65 1HD1 LEU 65 -6.289 0.762 -1.948 467 HD12 LEU 65 2HD1 LEU 65 -7.283 1.678 -0.820 468 HD13 LEU 65 3HD1 LEU 65 -7.234 2.131 -2.524 469 HD21 LEU 65 3HD2 LEU 65 -8.106 -1.227 -0.730 470 HD22 LEU 65 1HD2 LEU 65 -7.052 -1.281 -2.144 471 HD23 LEU 65 2HD2 LEU 65 -8.746 -1.733 -2.292 472 H ASP 66 H ASP 66 -11.756 0.062 0.764 473 HA ASP 66 HA ASP 66 -14.268 1.336 -0.066 474 HB2 ASP 66 2HB ASP 66 -13.427 -0.472 2.081 475 HB3 ASP 66 1HB ASP 66 -14.384 0.874 2.699 476 HA PRO 67 HA PRO 67 -13.272 5.357 1.337 477 HB2 PRO 67 2HB PRO 67 -15.526 6.037 2.816 478 HB3 PRO 67 1HB PRO 67 -15.444 6.055 1.045 479 HG2 PRO 67 2HG PRO 67 -16.547 3.957 2.862 480 HG3 PRO 67 1HG PRO 67 -17.191 4.575 1.327 481 HD2 PRO 67 2HD PRO 67 -15.886 2.217 1.442 482 HD3 PRO 67 1HD PRO 67 -15.715 3.297 0.039 483 H THR 68 H THR 68 -15.200 4.359 4.138 484 HA THR 68 HA THR 68 -13.483 5.471 6.051 485 HB THR 68 HB THR 68 -15.798 4.957 6.572 486 HG1 THR 68 1HG THR 68 -14.309 4.901 8.287 487 HG21 THR 68 3HG2 THR 68 -16.564 2.636 6.793 488 HG22 THR 68 1HG2 THR 68 -14.974 2.053 6.302 489 HG23 THR 68 2HG2 THR 68 -15.982 2.933 5.155 490 H LEU 69 H LEU 69 -13.236 2.559 4.279 491 HA LEU 69 HA LEU 69 -11.694 1.042 6.140 492 HB2 LEU 69 2HB LEU 69 -12.873 0.013 4.254 493 HB3 LEU 69 1HB LEU 69 -11.812 0.839 3.121 494 HG LEU 69 HG LEU 69 -10.716 -0.934 5.315 495 HD11 LEU 69 1HD1 LEU 69 -11.476 -1.795 2.510 496 HD12 LEU 69 2HD1 LEU 69 -12.354 -2.217 3.981 497 HD13 LEU 69 3HD1 LEU 69 -10.708 -2.798 3.742 498 HD21 LEU 69 3HD2 LEU 69 -9.587 0.534 3.007 499 HD22 LEU 69 1HD2 LEU 69 -9.075 -1.148 3.079 500 HD23 LEU 69 2HD2 LEU 69 -8.784 -0.088 4.450 501 H ILE 70 H ILE 70 -10.850 3.250 3.486 502 HA ILE 70 HA ILE 70 -8.081 2.827 3.489 503 HB ILE 70 HB ILE 70 -9.733 5.276 2.847 504 HG12 ILE 70 2HG1 ILE 70 -8.178 3.523 0.940 505 HG13 ILE 70 1HG1 ILE 70 -9.785 3.058 1.466 506 HG21 ILE 70 1HG2 ILE 70 -7.598 6.174 3.364 507 HG22 ILE 70 2HG2 ILE 70 -7.585 5.970 1.612 508 HG23 ILE 70 3HG2 ILE 70 -6.757 4.801 2.644 509 HD11 ILE 70 3HD1 ILE 70 -9.963 4.313 -0.618 510 HD12 ILE 70 1HD1 ILE 70 -9.032 5.643 0.071 511 HD13 ILE 70 2HD1 ILE 70 -10.645 5.276 0.690 512 H TRP 71 H TRP 71 -10.074 5.018 5.437 513 HA TRP 71 HA TRP 71 -7.843 6.180 6.804 514 HB2 TRP 71 2HB TRP 71 -10.802 6.116 7.389 515 HB3 TRP 71 1HB TRP 71 -9.639 6.958 8.413 516 HD1 TRP 71 HD TRP 71 -11.770 7.487 5.482 517 HE1 TRP 71 1HE TRP 71 -11.089 9.627 4.213 518 HE3 TRP 71 3HE TRP 71 -7.236 8.399 7.655 519 HZ2 TRP 71 2HZ TRP 71 -8.904 11.477 4.128 520 HZ3 TRP 71 3HZ TRP 71 -5.880 10.352 6.961 521 HH2 TRP 71 HH TRP 71 -6.707 11.891 5.203 522 H ASP 72 H ASP 72 -9.310 3.145 6.968 523 HA ASP 72 HA ASP 72 -8.823 2.686 9.803 524 HB2 ASP 72 2HB ASP 72 -10.701 1.613 8.446 525 HB3 ASP 72 1HB ASP 72 -9.457 0.588 7.720 526 H HIS 73 H HIS 73 -7.334 1.931 6.701 527 HA HIS 73 HA HIS 73 -4.986 0.798 8.125 528 HB2 HIS 73 2HB HIS 73 -5.777 0.201 5.273 529 HB3 HIS 73 1HB HIS 73 -4.600 -0.652 6.281 530 HD1 HIS 73 1HD HIS 73 -6.565 -0.604 8.849 531 HD2 HIS 73 2HD HIS 73 -7.465 -2.077 5.055 532 HE1 HIS 73 1HE HIS 73 -8.463 -2.254 9.153 533 HE2 HIS 73 2HE HIS 73 -9.016 -3.167 6.848 534 HA PRO 74 HA PRO 74 -3.841 4.661 5.628 535 HB2 PRO 74 2HB PRO 74 -3.082 6.252 7.718 536 HB3 PRO 74 1HB PRO 74 -4.754 6.162 7.138 537 HG2 PRO 74 2HG PRO 74 -3.499 4.794 9.475 538 HG3 PRO 74 1HG PRO 74 -5.072 5.607 9.356 539 HD2 PRO 74 2HD PRO 74 -4.835 2.881 9.189 540 HD3 PRO 74 1HD PRO 74 -6.081 3.800 8.320 541 H THR 75 H THR 75 -2.461 2.412 7.692 542 HA THR 75 HA THR 75 0.299 3.407 7.250 543 HB THR 75 HB THR 75 0.871 1.684 9.032 544 HG1 THR 75 1HG THR 75 -0.746 0.443 9.501 545 HG21 THR 75 3HG2 THR 75 0.189 3.182 10.848 546 HG22 THR 75 1HG2 THR 75 -1.012 3.933 9.799 547 HG23 THR 75 2HG2 THR 75 0.707 4.129 9.452 548 H ILE 76 H ILE 76 1.911 1.910 6.626 549 HA ILE 76 HA ILE 76 1.150 0.244 4.461 550 HB ILE 76 HB ILE 76 3.774 0.183 5.966 551 HG12 ILE 76 2HG1 ILE 76 3.310 2.486 5.370 552 HG13 ILE 76 1HG1 ILE 76 4.498 1.856 4.231 553 HG21 ILE 76 1HG2 ILE 76 4.613 -0.418 3.644 554 HG22 ILE 76 2HG2 ILE 76 2.928 -0.619 3.168 555 HG23 ILE 76 3HG2 ILE 76 3.618 -1.650 4.419 556 HD11 ILE 76 3HD1 ILE 76 2.992 2.936 2.816 557 HD12 ILE 76 1HD1 ILE 76 1.592 2.469 3.781 558 HD13 ILE 76 2HD1 ILE 76 2.403 1.279 2.773 559 H ASP 77 H ASP 77 2.177 -0.485 7.782 560 HA ASP 77 HA ASP 77 2.303 -3.243 7.651 561 HB2 ASP 77 2HB ASP 77 2.910 -2.014 9.661 562 HB3 ASP 77 1HB ASP 77 1.235 -1.514 9.894 563 H ALA 78 H ALA 78 -0.573 -1.259 8.399 564 HA ALA 78 HA ALA 78 -2.355 -3.474 8.500 565 HB1 ALA 78 1HB ALA 78 -4.127 -1.772 8.418 566 HB2 ALA 78 2HB ALA 78 -2.935 -0.548 7.984 567 HB3 ALA 78 3HB ALA 78 -2.872 -1.320 9.570 568 H LEU 79 H LEU 79 -1.583 -1.090 5.981 569 HA LEU 79 HA LEU 79 -3.447 -1.956 4.082 570 HB2 LEU 79 2HB LEU 79 -1.733 0.072 4.137 571 HB3 LEU 79 1HB LEU 79 -0.747 -1.014 3.193 572 HG LEU 79 HG LEU 79 -2.026 0.322 1.655 573 HD11 LEU 79 1HD1 LEU 79 -2.967 -1.345 0.314 574 HD12 LEU 79 2HD1 LEU 79 -3.570 -2.260 1.702 575 HD13 LEU 79 3HD1 LEU 79 -1.857 -2.236 1.338 576 HD21 LEU 79 3HD2 LEU 79 -3.929 0.486 3.655 577 HD22 LEU 79 1HD2 LEU 79 -4.715 -0.610 2.519 578 HD23 LEU 79 2HD2 LEU 79 -4.189 0.986 1.990 579 H SER 80 H SER 80 -0.047 -2.934 4.525 580 HA SER 80 HA SER 80 0.055 -4.776 2.412 581 HB2 SER 80 2HB SER 80 2.119 -4.128 3.360 582 HB3 SER 80 1HB SER 80 1.590 -4.524 4.992 583 HG SER 80 HG SER 80 1.958 -6.589 4.619 584 H THR 81 H THR 81 -0.708 -5.210 5.840 585 HA THR 81 HA THR 81 -1.072 -7.972 5.865 586 HB THR 81 HB THR 81 -2.687 -5.951 7.426 587 HG1 THR 81 1HG THR 81 -0.055 -6.600 7.448 588 HG21 THR 81 3HG2 THR 81 -3.560 -8.229 7.565 589 HG22 THR 81 1HG2 THR 81 -2.783 -7.793 9.090 590 HG23 THR 81 2HG2 THR 81 -1.949 -8.843 7.944 591 H ALA 82 H ALA 82 -3.366 -5.395 5.059 592 HA ALA 82 HA ALA 82 -5.577 -7.129 4.621 593 HB1 ALA 82 1HB ALA 82 -5.775 -4.681 5.030 594 HB2 ALA 82 2HB ALA 82 -6.627 -5.202 3.577 595 HB3 ALA 82 3HB ALA 82 -5.067 -4.391 3.441 596 H LEU 83 H LEU 83 -3.034 -5.796 2.486 597 HA LEU 83 HA LEU 83 -4.175 -6.629 0.064 598 HB2 LEU 83 2HB LEU 83 -2.053 -5.109 0.669 599 HB3 LEU 83 1HB LEU 83 -1.180 -6.617 0.387 600 HG LEU 83 HG LEU 83 -3.038 -5.201 -1.550 601 HD11 LEU 83 1HD1 LEU 83 -0.906 -4.160 -1.548 602 HD12 LEU 83 2HD1 LEU 83 -0.865 -5.271 -2.915 603 HD13 LEU 83 3HD1 LEU 83 -0.062 -5.698 -1.405 604 HD21 LEU 83 3HD2 LEU 83 -3.435 -7.506 -1.925 605 HD22 LEU 83 1HD2 LEU 83 -1.757 -7.928 -1.593 606 HD23 LEU 83 2HD2 LEU 83 -2.172 -7.094 -3.084 607 H VAL 84 H VAL 84 -1.680 -8.204 2.086 608 HA VAL 84 HA VAL 84 -1.474 -10.530 0.505 609 HB VAL 84 HB VAL 84 0.190 -9.879 2.206 610 HG11 VAL 84 1HG1 VAL 84 -0.288 -10.259 4.577 611 HG12 VAL 84 2HG1 VAL 84 -1.930 -10.762 4.188 612 HG13 VAL 84 3HG1 VAL 84 -1.422 -9.105 3.897 613 HG21 VAL 84 3HG2 VAL 84 0.222 -12.191 1.483 614 HG22 VAL 84 1HG2 VAL 84 -1.113 -12.603 2.557 615 HG23 VAL 84 2HG2 VAL 84 0.447 -12.175 3.228 616 H ALA 85 H ALA 85 -3.736 -9.554 3.002 617 HA ALA 85 HA ALA 85 -4.828 -12.070 3.623 618 HB1 ALA 85 1HB ALA 85 -5.257 -9.866 4.796 619 HB2 ALA 85 2HB ALA 85 -6.680 -10.868 4.515 620 HB3 ALA 85 3HB ALA 85 -6.363 -9.478 3.476 621 H GLU 86 H GLU 86 -5.510 -9.775 1.024 622 HA GLU 86 HA GLU 86 -7.837 -10.784 -0.054 623 HB2 GLU 86 2HB GLU 86 -7.271 -9.674 -2.029 624 HB3 GLU 86 1HB GLU 86 -6.247 -8.847 -0.857 625 HG2 GLU 86 2HG GLU 86 -4.707 -9.325 -2.526 626 HG3 GLU 86 1HG GLU 86 -4.507 -10.722 -1.475 627 H LEU 87 H LEU 87 -4.818 -12.361 0.217 628 HA LEU 87 HA LEU 87 -5.497 -14.393 -1.812 629 HB2 LEU 87 2HB LEU 87 -3.185 -13.209 -1.697 630 HB3 LEU 87 1HB LEU 87 -2.889 -14.251 -0.313 631 HG LEU 87 HG LEU 87 -3.616 -16.199 -1.845 632 HD11 LEU 87 1HD1 LEU 87 -2.957 -15.594 -4.305 633 HD12 LEU 87 2HD1 LEU 87 -3.344 -13.945 -3.826 634 HD13 LEU 87 3HD1 LEU 87 -4.576 -15.202 -3.739 635 HD21 LEU 87 3HD2 LEU 87 -1.269 -15.690 -1.106 636 HD22 LEU 87 1HD2 LEU 87 -1.066 -14.730 -2.571 637 HD23 LEU 87 2HD2 LEU 87 -1.357 -16.465 -2.685 638 H ARG 88 H ARG 88 -5.565 -13.837 1.524 639 HA ARG 88 HA ARG 88 -5.287 -16.650 2.270 640 HB2 ARG 88 2HB ARG 88 -5.955 -14.231 3.958 641 HB3 ARG 88 1HB ARG 88 -5.521 -15.830 4.554 642 HG2 ARG 88 2HG ARG 88 -3.687 -14.221 2.761 643 HG3 ARG 88 1HG ARG 88 -3.644 -14.081 4.513 644 HD2 ARG 88 2HD ARG 88 -3.118 -16.577 2.876 645 HD3 ARG 88 1HD ARG 88 -1.966 -15.685 3.851 646 HE ARG 88 HE ARG 88 -3.962 -17.551 4.822 647 HH11 ARG 88 1HH2 ARG 88 -1.838 -14.908 5.500 648 HH12 ARG 88 2HH2 ARG 88 -1.753 -15.229 7.201 649 HH21 ARG 88 1HH1 ARG 88 -3.873 -17.973 7.052 650 HH22 ARG 88 2HH1 ARG 88 -2.907 -16.967 8.080 651 H SER 89 H SER 89 -7.697 -14.649 1.097 652 HA SER 89 HA SER 89 -9.875 -15.860 2.631 653 HB2 SER 89 2HB SER 89 -10.228 -13.566 2.153 654 HB3 SER 89 1HB SER 89 -9.749 -13.761 0.469 655 HG SER 89 HG SER 89 -11.948 -15.130 1.612 656 H ALA 90 H ALA 90 -8.562 -17.864 1.419 657 HA ALA 90 HA ALA 90 -9.135 -18.571 -1.189 658 HB1 ALA 90 1HB ALA 90 -9.015 -20.933 -0.397 659 HB2 ALA 90 2HB ALA 90 -9.038 -20.342 1.265 660 HB3 ALA 90 3HB ALA 90 -7.690 -19.936 0.204 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 -6.469 -12.733 -16.639 2 H2 GLY 1 2HT GLY 1 -6.034 -11.411 -17.614 3 H3 GLY 1 3HT GLY 1 -4.911 -12.074 -16.524 4 HA2 GLY 1 2HA GLY 1 -6.058 -13.793 -18.611 5 HA3 GLY 1 1HA GLY 1 -4.772 -12.663 -19.035 6 H HIS 2 H HIS 2 -2.701 -13.151 -18.511 7 HA HIS 2 HA HIS 2 -2.097 -15.136 -16.460 8 HB2 HIS 2 2HB HIS 2 -0.770 -16.528 -18.033 9 HB3 HIS 2 1HB HIS 2 -2.498 -16.565 -18.389 10 HD1 HIS 2 1HD HIS 2 -3.301 -14.937 -20.384 11 HD2 HIS 2 2HD HIS 2 0.809 -15.588 -20.131 12 HE1 HIS 2 1HE HIS 2 -2.322 -14.204 -22.601 13 HE2 HIS 2 2HE HIS 2 0.183 -14.596 -22.463 14 H MET 3 H MET 3 0.191 -15.268 -15.998 15 HA MET 3 HA MET 3 2.104 -14.119 -15.378 16 HB2 MET 3 2HB MET 3 2.573 -15.127 -17.668 17 HB3 MET 3 1HB MET 3 2.267 -13.522 -18.333 18 HG2 MET 3 2HG MET 3 4.031 -12.583 -16.884 19 HG3 MET 3 1HG MET 3 4.343 -14.188 -16.225 20 HE1 MET 3 3HE MET 3 4.660 -16.259 -17.845 21 HE2 MET 3 1HE MET 3 6.135 -15.652 -17.080 22 HE3 MET 3 2HE MET 3 6.153 -16.140 -18.773 23 H SER 4 H SER 4 0.385 -12.478 -14.504 24 HA SER 4 HA SER 4 1.261 -9.821 -15.389 25 HB2 SER 4 2HB SER 4 -0.825 -10.269 -16.645 26 HB3 SER 4 1HB SER 4 -1.661 -10.572 -15.125 27 HG SER 4 HG SER 4 -1.193 -8.441 -14.516 28 H ASP 5 H ASP 5 1.294 -8.316 -13.771 29 HA ASP 5 HA ASP 5 1.524 -7.599 -11.597 30 HB2 ASP 5 2HB ASP 5 -1.005 -7.574 -12.018 31 HB3 ASP 5 1HB ASP 5 -1.061 -9.068 -11.083 32 H LEU 6 H LEU 6 3.048 -9.805 -12.008 33 HA LEU 6 HA LEU 6 4.240 -11.367 -10.847 34 HB2 LEU 6 2HB LEU 6 3.755 -9.711 -8.927 35 HB3 LEU 6 1HB LEU 6 2.488 -10.834 -8.445 36 HG LEU 6 HG LEU 6 4.454 -12.630 -8.691 37 HD11 LEU 6 1HD1 LEU 6 5.906 -10.046 -8.044 38 HD12 LEU 6 2HD1 LEU 6 6.107 -10.989 -9.518 39 HD13 LEU 6 3HD1 LEU 6 6.610 -11.662 -7.969 40 HD21 LEU 6 3HD2 LEU 6 3.167 -12.096 -6.645 41 HD22 LEU 6 1HD2 LEU 6 4.225 -10.717 -6.353 42 HD23 LEU 6 2HD2 LEU 6 4.875 -12.356 -6.288 43 H SER 7 H SER 7 2.486 -12.634 -8.503 44 HA SER 7 HA SER 7 1.038 -14.558 -10.244 45 HB2 SER 7 2HB SER 7 2.702 -15.104 -7.778 46 HB3 SER 7 1HB SER 7 1.632 -16.285 -8.531 47 HG SER 7 HG SER 7 3.111 -16.608 -9.975 48 H THR 8 H THR 8 -0.762 -15.645 -9.199 49 HA THR 8 HA THR 8 -2.431 -13.837 -7.806 50 HB THR 8 HB THR 8 -2.760 -16.835 -8.028 51 HG1 THR 8 1HG THR 8 -3.001 -14.765 -9.868 52 HG21 THR 8 3HG2 THR 8 -4.582 -14.531 -7.372 53 HG22 THR 8 1HG2 THR 8 -4.480 -16.125 -6.623 54 HG23 THR 8 2HG2 THR 8 -5.237 -15.938 -8.203 55 H ALA 9 H ALA 9 0.226 -15.172 -6.624 56 HA ALA 9 HA ALA 9 -0.838 -15.256 -3.882 57 HB1 ALA 9 1HB ALA 9 -0.734 -17.575 -4.401 58 HB2 ALA 9 2HB ALA 9 0.704 -17.218 -3.446 59 HB3 ALA 9 3HB ALA 9 0.829 -17.401 -5.196 60 HA PRO 10 HA PRO 10 3.023 -12.697 -4.405 61 HB2 PRO 10 2HB PRO 10 1.469 -10.770 -2.772 62 HB3 PRO 10 1HB PRO 10 2.296 -10.507 -4.321 63 HG2 PRO 10 2HG PRO 10 -0.379 -10.577 -4.142 64 HG3 PRO 10 1HG PRO 10 0.487 -11.205 -5.560 65 HD2 PRO 10 2HD PRO 10 -0.727 -12.736 -3.268 66 HD3 PRO 10 1HD PRO 10 -0.746 -13.102 -5.007 67 H THR 11 H THR 11 4.472 -11.932 -2.682 68 HA THR 11 HA THR 11 4.051 -13.420 -0.159 69 HB THR 11 HB THR 11 6.643 -12.236 -1.168 70 HG1 THR 11 1HG THR 11 5.570 -14.831 -1.581 71 HG21 THR 11 3HG2 THR 11 6.569 -12.854 1.198 72 HG22 THR 11 1HG2 THR 11 7.582 -13.996 0.315 73 HG23 THR 11 2HG2 THR 11 5.943 -14.449 0.780 74 H LEU 12 H LEU 12 4.562 -12.428 1.821 75 HA LEU 12 HA LEU 12 3.486 -9.930 2.277 76 HB2 LEU 12 2HB LEU 12 5.557 -11.515 3.808 77 HB3 LEU 12 1HB LEU 12 4.948 -9.974 4.405 78 HG LEU 12 HG LEU 12 2.614 -10.891 4.189 79 HD11 LEU 12 1HD1 LEU 12 2.600 -13.494 4.196 80 HD12 LEU 12 2HD1 LEU 12 4.205 -13.367 3.485 81 HD13 LEU 12 3HD1 LEU 12 2.813 -12.681 2.647 82 HD21 LEU 12 3HD2 LEU 12 3.643 -10.848 6.373 83 HD22 LEU 12 1HD2 LEU 12 4.600 -12.284 6.009 84 HD23 LEU 12 2HD2 LEU 12 2.851 -12.415 6.198 85 H ASP 13 H ASP 13 6.872 -10.778 1.673 86 HA ASP 13 HA ASP 13 7.874 -8.135 2.011 87 HB2 ASP 13 2HB ASP 13 9.166 -10.189 0.239 88 HB3 ASP 13 1HB ASP 13 9.924 -8.944 1.223 89 H SER 14 H SER 14 6.683 -9.971 -0.793 90 HA SER 14 HA SER 14 7.491 -8.099 -2.757 91 HB2 SER 14 2HB SER 14 5.956 -9.247 -4.212 92 HB3 SER 14 1HB SER 14 6.874 -10.416 -3.269 93 HG SER 14 HG SER 14 5.118 -10.881 -2.101 94 H LEU 15 H LEU 15 4.503 -8.486 -0.867 95 HA LEU 15 HA LEU 15 3.169 -6.376 -2.220 96 HB2 LEU 15 2HB LEU 15 2.611 -7.588 0.495 97 HB3 LEU 15 1HB LEU 15 1.505 -6.571 -0.406 98 HG LEU 15 HG LEU 15 2.637 -9.176 -1.441 99 HD11 LEU 15 1HD1 LEU 15 0.111 -8.503 0.055 100 HD12 LEU 15 2HD1 LEU 15 1.241 -9.828 0.325 101 HD13 LEU 15 3HD1 LEU 15 0.159 -9.867 -1.067 102 HD21 LEU 15 3HD2 LEU 15 0.460 -8.766 -2.935 103 HD22 LEU 15 1HD2 LEU 15 1.992 -8.014 -3.355 104 HD23 LEU 15 2HD2 LEU 15 0.751 -7.086 -2.514 105 H ARG 16 H ARG 16 4.207 -6.570 1.161 106 HA ARG 16 HA ARG 16 4.001 -4.042 2.037 107 HB2 ARG 16 2HB ARG 16 4.989 -5.811 3.394 108 HB3 ARG 16 1HB ARG 16 6.437 -5.788 2.401 109 HG2 ARG 16 2HG ARG 16 5.634 -3.155 3.573 110 HG3 ARG 16 1HG ARG 16 6.190 -4.361 4.726 111 HD2 ARG 16 2HD ARG 16 8.235 -4.671 3.201 112 HD3 ARG 16 1HD ARG 16 7.709 -3.216 2.372 113 HE ARG 16 HE ARG 16 7.785 -2.657 5.116 114 HH11 ARG 16 1HH2 ARG 16 9.846 -3.501 2.475 115 HH12 ARG 16 2HH2 ARG 16 11.228 -2.666 3.103 116 HH21 ARG 16 1HH1 ARG 16 9.583 -1.561 5.951 117 HH22 ARG 16 2HH1 ARG 16 11.077 -1.565 5.076 118 H VAL 17 H VAL 17 6.854 -5.189 0.171 119 HA VAL 17 HA VAL 17 8.147 -2.704 -0.030 120 HB VAL 17 HB VAL 17 9.353 -3.711 -1.924 121 HG11 VAL 17 1HG1 VAL 17 8.847 -5.263 0.608 122 HG12 VAL 17 2HG1 VAL 17 10.321 -4.476 0.059 123 HG13 VAL 17 3HG1 VAL 17 9.834 -6.026 -0.644 124 HG21 VAL 17 3HG2 VAL 17 8.590 -6.155 -2.425 125 HG22 VAL 17 1HG2 VAL 17 7.701 -4.825 -3.169 126 HG23 VAL 17 2HG2 VAL 17 7.073 -5.611 -1.742 127 H TRP 18 H TRP 18 5.659 -4.245 -2.036 128 HA TRP 18 HA TRP 18 5.653 -2.375 -4.153 129 HB2 TRP 18 2HB TRP 18 3.984 -3.716 -4.926 130 HB3 TRP 18 1HB TRP 18 4.126 -4.633 -3.432 131 HD1 TRP 18 HD TRP 18 2.026 -4.625 -1.901 132 HE1 TRP 18 1HE TRP 18 -0.120 -3.290 -1.762 133 HE3 TRP 18 3HE TRP 18 2.947 -1.082 -5.480 134 HZ2 TRP 18 2HZ TRP 18 -1.306 -1.038 -2.939 135 HZ3 TRP 18 3HZ TRP 18 1.257 0.658 -5.922 136 HH2 TRP 18 HH TRP 18 -0.865 0.660 -4.637 137 H LEU 19 H LEU 19 3.718 -2.413 -1.151 138 HA LEU 19 HA LEU 19 2.232 -0.078 -1.599 139 HB2 LEU 19 2HB LEU 19 3.008 -1.749 0.720 140 HB3 LEU 19 1HB LEU 19 2.596 -0.092 1.144 141 HG LEU 19 HG LEU 19 0.740 -1.518 -0.724 142 HD11 LEU 19 1HD1 LEU 19 0.979 -2.147 2.199 143 HD12 LEU 19 2HD1 LEU 19 1.034 -3.272 0.842 144 HD13 LEU 19 3HD1 LEU 19 -0.466 -2.450 1.246 145 HD21 LEU 19 3HD2 LEU 19 0.555 0.892 0.131 146 HD22 LEU 19 1HD2 LEU 19 0.108 0.176 1.678 147 HD23 LEU 19 2HD2 LEU 19 -0.884 -0.117 0.248 148 H VAL 20 H VAL 20 5.237 -0.381 0.356 149 HA VAL 20 HA VAL 20 5.512 2.394 0.695 150 HB VAL 20 HB VAL 20 6.623 0.782 2.138 151 HG11 VAL 20 1HG1 VAL 20 7.022 -0.799 0.127 152 HG12 VAL 20 2HG1 VAL 20 8.235 -0.756 1.395 153 HG13 VAL 20 3HG1 VAL 20 8.509 0.106 -0.118 154 HG21 VAL 20 3HG2 VAL 20 8.682 2.291 0.523 155 HG22 VAL 20 1HG2 VAL 20 8.793 1.829 2.222 156 HG23 VAL 20 2HG2 VAL 20 7.619 3.038 1.710 157 H ASP 21 H ASP 21 7.162 0.176 -1.552 158 HA ASP 21 HA ASP 21 8.735 2.056 -2.842 159 HB2 ASP 21 2HB ASP 21 8.900 -0.398 -3.182 160 HB3 ASP 21 1HB ASP 21 7.381 -0.363 -4.077 161 H CYS 22 H CYS 22 5.349 1.443 -3.115 162 HA CYS 22 HA CYS 22 4.911 2.802 -5.600 163 HB2 CYS 22 2HB CYS 22 3.268 1.208 -4.716 164 HB3 CYS 22 1HB CYS 22 2.973 2.262 -3.342 165 HG CYS 22 HG CYS 22 1.225 3.192 -4.855 166 H VAL 23 H VAL 23 4.645 3.753 -2.171 167 HA VAL 23 HA VAL 23 3.775 6.416 -2.712 168 HB VAL 23 HB VAL 23 5.359 5.396 -0.335 169 HG11 VAL 23 1HG1 VAL 23 4.579 7.286 0.834 170 HG12 VAL 23 2HG1 VAL 23 3.345 7.642 -0.362 171 HG13 VAL 23 3HG1 VAL 23 5.039 7.955 -0.724 172 HG21 VAL 23 3HG2 VAL 23 2.392 5.438 -0.910 173 HG22 VAL 23 1HG2 VAL 23 3.075 5.205 0.709 174 HG23 VAL 23 2HG2 VAL 23 3.402 4.032 -0.574 175 H ALA 24 H ALA 24 7.055 5.166 -1.838 176 HA ALA 24 HA ALA 24 8.491 7.475 -1.961 177 HB1 ALA 24 1HB ALA 24 9.820 5.684 -1.369 178 HB2 ALA 24 2HB ALA 24 10.288 5.791 -3.068 179 HB3 ALA 24 3HB ALA 24 9.078 4.618 -2.559 180 H GLY 25 H GLY 25 7.976 5.286 -4.723 181 HA2 GLY 25 2HA GLY 25 9.177 6.893 -6.660 182 HA3 GLY 25 1HA GLY 25 7.904 5.722 -6.993 183 H HIS 26 H HIS 26 5.880 6.949 -5.398 184 HA HIS 26 HA HIS 26 4.931 8.902 -7.281 185 HB2 HIS 26 2HB HIS 26 3.292 7.493 -6.321 186 HB3 HIS 26 1HB HIS 26 3.853 7.809 -4.688 187 HD1 HIS 26 1HD HIS 26 2.874 10.189 -7.521 188 HD2 HIS 26 2HD HIS 26 1.966 9.420 -3.523 189 HE1 HIS 26 1HE HIS 26 1.238 11.985 -6.807 190 HE2 HIS 26 2HE HIS 26 0.672 11.536 -4.371 191 H LEU 27 H LEU 27 6.381 9.048 -4.086 192 HA LEU 27 HA LEU 27 6.055 11.998 -4.069 193 HB2 LEU 27 2HB LEU 27 6.099 9.852 -1.984 194 HB3 LEU 27 1HB LEU 27 6.700 11.447 -1.524 195 HG LEU 27 HG LEU 27 4.064 11.239 -2.971 196 HD11 LEU 27 1HD1 LEU 27 3.068 11.215 -0.553 197 HD12 LEU 27 2HD1 LEU 27 4.596 10.455 -0.113 198 HD13 LEU 27 3HD1 LEU 27 3.541 9.702 -1.307 199 HD21 LEU 27 3HD2 LEU 27 5.057 13.448 -2.541 200 HD22 LEU 27 1HD2 LEU 27 5.169 13.076 -0.822 201 HD23 LEU 27 2HD2 LEU 27 3.589 13.244 -1.585 202 H GLY 28 H GLY 28 8.241 10.303 -5.432 203 HA2 GLY 28 2HA GLY 28 10.500 10.261 -5.577 204 HA3 GLY 28 1HA GLY 28 10.387 11.924 -5.044 205 H LEU 29 H LEU 29 9.128 10.386 -2.543 206 HA LEU 29 HA LEU 29 11.411 10.643 -0.923 207 HB2 LEU 29 2HB LEU 29 8.646 9.578 -0.527 208 HB3 LEU 29 1HB LEU 29 9.840 9.459 0.772 209 HG LEU 29 HG LEU 29 8.985 11.996 -0.615 210 HD11 LEU 29 1HD1 LEU 29 7.217 10.886 0.814 211 HD12 LEU 29 2HD1 LEU 29 7.671 12.508 1.334 212 HD13 LEU 29 3HD1 LEU 29 8.298 11.100 2.192 213 HD21 LEU 29 3HD2 LEU 29 11.026 12.634 0.212 214 HD22 LEU 29 1HD2 LEU 29 11.069 11.343 1.413 215 HD23 LEU 29 2HD2 LEU 29 10.127 12.802 1.717 216 H ASP 30 H ASP 30 12.259 8.931 0.446 217 HA ASP 30 HA ASP 30 12.832 6.557 -1.186 218 HB2 ASP 30 2HB ASP 30 14.137 7.743 1.264 219 HB3 ASP 30 1HB ASP 30 14.602 6.188 0.577 220 H ALA 31 H ALA 31 12.240 4.553 -0.661 221 HA ALA 31 HA ALA 31 10.110 4.009 1.012 222 HB1 ALA 31 1HB ALA 31 10.707 2.426 -0.665 223 HB2 ALA 31 2HB ALA 31 10.885 1.624 0.896 224 HB3 ALA 31 3HB ALA 31 12.311 2.204 0.034 225 H ALA 32 H ALA 32 13.579 3.974 1.756 226 HA ALA 32 HA ALA 32 13.358 2.722 4.277 227 HB1 ALA 32 1HB ALA 32 15.482 2.826 3.153 228 HB2 ALA 32 2HB ALA 32 15.615 3.756 4.645 229 HB3 ALA 32 3HB ALA 32 15.426 4.586 3.101 230 H THR 33 H THR 33 12.394 5.795 3.212 231 HA THR 33 HA THR 33 11.989 6.647 6.004 232 HB THR 33 HB THR 33 12.581 9.017 5.182 233 HG1 THR 33 1HG THR 33 14.291 8.765 3.508 234 HG21 THR 33 3HG2 THR 33 14.770 6.925 5.416 235 HG22 THR 33 1HG2 THR 33 13.951 7.693 6.776 236 HG23 THR 33 2HG2 THR 33 14.965 8.655 5.700 237 H ILE 34 H ILE 34 10.252 5.497 3.962 238 HA ILE 34 HA ILE 34 8.658 7.651 2.926 239 HB ILE 34 HB ILE 34 8.532 4.687 2.962 240 HG12 ILE 34 2HG1 ILE 34 9.346 6.048 1.059 241 HG13 ILE 34 1HG1 ILE 34 7.981 5.031 0.599 242 HG21 ILE 34 1HG2 ILE 34 6.021 6.349 2.872 243 HG22 ILE 34 2HG2 ILE 34 6.302 4.859 3.770 244 HG23 ILE 34 3HG2 ILE 34 6.118 4.809 2.027 245 HD11 ILE 34 3HD1 ILE 34 6.794 7.426 1.457 246 HD12 ILE 34 1HD1 ILE 34 7.068 6.945 -0.205 247 HD13 ILE 34 2HD1 ILE 34 8.236 7.909 0.638 248 H ALA 35 H ALA 35 7.615 5.146 5.188 249 HA ALA 35 HA ALA 35 6.952 6.651 7.360 250 HB1 ALA 35 1HB ALA 35 4.936 6.921 5.141 251 HB2 ALA 35 2HB ALA 35 5.481 8.134 6.309 252 HB3 ALA 35 3HB ALA 35 4.367 6.874 6.812 253 H THR 36 H THR 36 7.342 3.828 6.014 254 HA THR 36 HA THR 36 5.390 2.061 6.294 255 HB THR 36 HB THR 36 7.053 0.491 7.300 256 HG1 THR 36 1HG THR 36 9.209 1.707 7.429 257 HG21 THR 36 3HG2 THR 36 8.048 2.345 5.119 258 HG22 THR 36 1HG2 THR 36 7.119 0.863 4.899 259 HG23 THR 36 2HG2 THR 36 8.772 0.784 5.504 260 H ASP 37 H ASP 37 6.876 3.794 9.019 261 HA ASP 37 HA ASP 37 5.101 2.412 10.911 262 HB2 ASP 37 2HB ASP 37 6.520 3.685 12.590 263 HB3 ASP 37 1HB ASP 37 7.361 2.452 11.655 264 H LEU 38 H LEU 38 5.322 5.275 9.095 265 HA LEU 38 HA LEU 38 3.582 6.735 10.963 266 HB2 LEU 38 2HB LEU 38 5.448 7.573 8.780 267 HB3 LEU 38 1HB LEU 38 4.064 8.603 9.078 268 HG LEU 38 HG LEU 38 4.923 8.292 11.645 269 HD11 LEU 38 1HD1 LEU 38 7.309 8.200 11.772 270 HD12 LEU 38 2HD1 LEU 38 7.459 8.266 10.014 271 HD13 LEU 38 3HD1 LEU 38 6.795 6.831 10.786 272 HD21 LEU 38 3HD2 LEU 38 4.596 10.463 10.798 273 HD22 LEU 38 1HD2 LEU 38 5.772 10.239 9.503 274 HD23 LEU 38 2HD2 LEU 38 6.321 10.423 11.173 275 HA PRO 39 HA PRO 39 0.063 6.147 8.381 276 HB2 PRO 39 2HB PRO 39 -1.305 8.486 8.828 277 HB3 PRO 39 1HB PRO 39 -1.181 7.191 10.034 278 HG2 PRO 39 2HG PRO 39 0.379 9.732 9.826 279 HG3 PRO 39 1HG PRO 39 -0.306 8.944 11.260 280 HD2 PRO 39 2HD PRO 39 2.330 8.742 10.602 281 HD3 PRO 39 1HD PRO 39 1.451 7.446 11.441 282 H LEU 40 H LEU 40 -1.321 7.545 6.741 283 HA LEU 40 HA LEU 40 0.467 8.350 4.645 284 HB2 LEU 40 2HB LEU 40 -1.467 8.488 3.254 285 HB3 LEU 40 1HB LEU 40 -1.729 7.109 4.315 286 HG LEU 40 HG LEU 40 -2.838 9.885 4.840 287 HD11 LEU 40 1HD1 LEU 40 -3.818 8.872 2.836 288 HD12 LEU 40 2HD1 LEU 40 -4.981 8.968 4.158 289 HD13 LEU 40 3HD1 LEU 40 -4.211 7.428 3.768 290 HD21 LEU 40 3HD2 LEU 40 -4.313 8.434 6.390 291 HD22 LEU 40 1HD2 LEU 40 -2.671 8.789 6.906 292 HD23 LEU 40 2HD2 LEU 40 -3.048 7.220 6.209 293 H THR 41 H THR 41 -1.354 9.938 7.111 294 HA THR 41 HA THR 41 -1.804 12.438 6.015 295 HB THR 41 HB THR 41 -1.710 13.288 8.333 296 HG1 THR 41 1HG THR 41 -0.133 12.247 9.329 297 HG21 THR 41 3HG2 THR 41 -3.566 12.057 9.116 298 HG22 THR 41 1HG2 THR 41 -2.996 10.563 8.376 299 HG23 THR 41 2HG2 THR 41 -3.637 11.858 7.366 300 H SER 42 H SER 42 1.185 11.101 7.405 301 HA SER 42 HA SER 42 2.716 13.321 7.707 302 HB2 SER 42 2HB SER 42 3.382 10.548 6.713 303 HB3 SER 42 1HB SER 42 4.634 11.775 6.880 304 HG SER 42 HG SER 42 4.293 11.834 9.020 305 H TYR 43 H TYR 43 1.764 11.798 4.686 306 HA TYR 43 HA TYR 43 3.531 13.257 3.000 307 HB2 TYR 43 2HB TYR 43 0.834 12.130 2.263 308 HB3 TYR 43 1HB TYR 43 2.176 12.436 1.187 309 HD1 TYR 43 2HD TYR 43 4.483 11.343 2.722 310 HD2 TYR 43 1HD TYR 43 0.498 9.801 2.222 311 HE1 TYR 43 2HE TYR 43 5.309 9.070 3.156 312 HE2 TYR 43 1HE TYR 43 1.354 7.512 2.646 313 HH TYR 43 HH TYR 43 3.100 6.346 3.458 314 H GLY 44 H GLY 44 0.951 14.284 4.828 315 HA2 GLY 44 2HA GLY 44 -0.167 16.284 4.957 316 HA3 GLY 44 1HA GLY 44 1.096 16.933 3.916 317 H LEU 45 H LEU 45 -0.757 14.219 2.820 318 HA LEU 45 HA LEU 45 -1.652 15.644 0.521 319 HB2 LEU 45 2HB LEU 45 -2.487 13.575 -0.224 320 HB3 LEU 45 1HB LEU 45 -1.043 13.167 0.693 321 HG LEU 45 HG LEU 45 -3.909 12.997 1.713 322 HD11 LEU 45 1HD1 LEU 45 -3.826 10.720 1.412 323 HD12 LEU 45 2HD1 LEU 45 -2.065 10.651 1.474 324 HD13 LEU 45 3HD1 LEU 45 -2.874 11.241 0.023 325 HD21 LEU 45 3HD2 LEU 45 -1.234 12.504 3.020 326 HD22 LEU 45 1HD2 LEU 45 -2.714 11.801 3.640 327 HD23 LEU 45 2HD2 LEU 45 -2.518 13.542 3.589 328 H ASP 46 H ASP 46 -3.682 16.302 -0.055 329 HA ASP 46 HA ASP 46 -5.483 17.006 2.061 330 HB2 ASP 46 2HB ASP 46 -5.143 18.294 -0.090 331 HB3 ASP 46 1HB ASP 46 -6.075 17.034 -0.897 332 H SER 47 H SER 47 -8.002 16.529 1.350 333 HA SER 47 HA SER 47 -8.339 13.722 1.862 334 HB2 SER 47 2HB SER 47 -10.327 15.937 1.327 335 HB3 SER 47 1HB SER 47 -10.765 14.295 1.792 336 HG SER 47 HG SER 47 -9.884 14.605 3.751 337 H VAL 48 H VAL 48 -8.761 15.876 -0.896 338 HA VAL 48 HA VAL 48 -10.129 14.048 -2.576 339 HB VAL 48 HB VAL 48 -9.293 15.553 -4.424 340 HG11 VAL 48 1HG1 VAL 48 -10.536 16.889 -1.998 341 HG12 VAL 48 2HG1 VAL 48 -11.413 15.974 -3.225 342 HG13 VAL 48 3HG1 VAL 48 -10.616 17.489 -3.656 343 HG21 VAL 48 3HG2 VAL 48 -7.161 16.129 -3.160 344 HG22 VAL 48 1HG2 VAL 48 -8.149 17.161 -2.125 345 HG23 VAL 48 2HG2 VAL 48 -8.017 17.510 -3.849 346 H TYR 49 H TYR 49 -6.783 14.431 -1.715 347 HA TYR 49 HA TYR 49 -5.538 13.233 -3.906 348 HB2 TYR 49 2HB TYR 49 -4.820 14.050 -1.263 349 HB3 TYR 49 1HB TYR 49 -4.250 12.396 -1.434 350 HD1 TYR 49 1HD TYR 49 -4.502 15.388 -3.689 351 HD2 TYR 49 2HD TYR 49 -2.007 12.282 -2.086 352 HE1 TYR 49 1HE TYR 49 -2.607 16.194 -5.063 353 HE2 TYR 49 2HE TYR 49 -0.124 13.079 -3.446 354 HH TYR 49 HH TYR 49 0.148 15.941 -4.722 355 H ALA 50 H ALA 50 -6.716 11.699 -0.921 356 HA ALA 50 HA ALA 50 -6.047 9.084 -1.410 357 HB1 ALA 50 1HB ALA 50 -7.201 9.875 0.638 358 HB2 ALA 50 2HB ALA 50 -7.963 8.439 -0.044 359 HB3 ALA 50 3HB ALA 50 -8.695 10.026 -0.285 360 H LEU 51 H LEU 51 -8.853 10.864 -2.661 361 HA LEU 51 HA LEU 51 -10.186 8.822 -3.899 362 HB2 LEU 51 2HB LEU 51 -10.732 11.363 -3.799 363 HB3 LEU 51 1HB LEU 51 -9.795 11.475 -5.286 364 HG LEU 51 HG LEU 51 -12.181 11.244 -5.777 365 HD11 LEU 51 1HD1 LEU 51 -10.284 10.101 -7.151 366 HD12 LEU 51 2HD1 LEU 51 -11.963 9.652 -7.477 367 HD13 LEU 51 3HD1 LEU 51 -10.954 8.592 -6.501 368 HD21 LEU 51 3HD2 LEU 51 -12.389 9.720 -3.557 369 HD22 LEU 51 1HD2 LEU 51 -12.291 8.431 -4.761 370 HD23 LEU 51 2HD2 LEU 51 -13.563 9.643 -4.869 371 H SER 52 H SER 52 -7.882 10.947 -5.634 372 HA SER 52 HA SER 52 -7.726 9.207 -7.863 373 HB2 SER 52 2HB SER 52 -7.278 11.618 -7.946 374 HB3 SER 52 1HB SER 52 -5.824 11.375 -6.957 375 HG SER 52 HG SER 52 -4.848 10.414 -8.618 376 H ILE 53 H ILE 53 -5.538 9.820 -5.130 377 HA ILE 53 HA ILE 53 -3.470 8.126 -5.912 378 HB ILE 53 HB ILE 53 -4.461 8.707 -3.112 379 HG12 ILE 53 2HG1 ILE 53 -3.830 10.657 -4.801 380 HG13 ILE 53 1HG1 ILE 53 -3.221 10.680 -3.145 381 HG21 ILE 53 1HG2 ILE 53 -1.928 8.373 -2.651 382 HG22 ILE 53 2HG2 ILE 53 -1.906 7.532 -4.196 383 HG23 ILE 53 3HG2 ILE 53 -2.926 6.940 -2.883 384 HD11 ILE 53 3HD1 ILE 53 -1.058 9.992 -3.790 385 HD12 ILE 53 1HD1 ILE 53 -1.524 11.109 -5.071 386 HD13 ILE 53 2HD1 ILE 53 -1.616 9.370 -5.339 387 H ALA 54 H ALA 54 -5.953 7.343 -3.472 388 HA ALA 54 HA ALA 54 -5.442 4.648 -3.238 389 HB1 ALA 54 1HB ALA 54 -7.611 4.418 -2.315 390 HB2 ALA 54 2HB ALA 54 -8.252 5.742 -3.286 391 HB3 ALA 54 3HB ALA 54 -7.139 6.081 -1.961 392 H ALA 55 H ALA 55 -7.325 6.321 -5.713 393 HA ALA 55 HA ALA 55 -8.356 3.993 -6.982 394 HB1 ALA 55 1HB ALA 55 -7.850 6.785 -8.029 395 HB2 ALA 55 2HB ALA 55 -9.373 6.131 -7.425 396 HB3 ALA 55 3HB ALA 55 -8.693 5.528 -8.936 397 H GLU 56 H GLU 56 -5.402 5.913 -7.490 398 HA GLU 56 HA GLU 56 -4.542 4.459 -9.787 399 HB2 GLU 56 2HB GLU 56 -3.116 6.256 -7.825 400 HB3 GLU 56 1HB GLU 56 -2.308 5.524 -9.212 401 HG2 GLU 56 2HG GLU 56 -4.816 7.205 -9.440 402 HG3 GLU 56 1HG GLU 56 -3.191 7.858 -9.628 403 H LEU 57 H LEU 57 -3.695 4.276 -6.331 404 HA LEU 57 HA LEU 57 -1.713 2.308 -6.488 405 HB2 LEU 57 2HB LEU 57 -3.684 3.187 -4.392 406 HB3 LEU 57 1HB LEU 57 -2.823 1.682 -4.114 407 HG LEU 57 HG LEU 57 -0.655 2.914 -4.526 408 HD11 LEU 57 1HD1 LEU 57 -2.464 5.315 -4.441 409 HD12 LEU 57 2HD1 LEU 57 -1.607 4.745 -5.865 410 HD13 LEU 57 3HD1 LEU 57 -0.708 5.359 -4.479 411 HD21 LEU 57 3HD2 LEU 57 -0.570 3.873 -2.339 412 HD22 LEU 57 1HD2 LEU 57 -1.708 2.531 -2.242 413 HD23 LEU 57 2HD2 LEU 57 -2.305 4.187 -2.338 414 H GLU 58 H GLU 58 -5.131 1.755 -5.652 415 HA GLU 58 HA GLU 58 -5.030 -1.046 -5.857 416 HB2 GLU 58 2HB GLU 58 -7.463 -0.983 -6.099 417 HB3 GLU 58 1HB GLU 58 -6.900 0.086 -4.829 418 HG2 GLU 58 2HG GLU 58 -8.252 1.628 -5.903 419 HG3 GLU 58 1HG GLU 58 -6.832 1.835 -6.902 420 H ASP 59 H ASP 59 -5.452 1.403 -8.347 421 HA ASP 59 HA ASP 59 -6.392 -0.277 -10.412 422 HB2 ASP 59 2HB ASP 59 -6.486 2.124 -10.652 423 HB3 ASP 59 1HB ASP 59 -4.739 2.249 -10.527 424 H HIS 60 H HIS 60 -3.104 0.552 -9.359 425 HA HIS 60 HA HIS 60 -1.677 -0.644 -11.439 426 HB2 HIS 60 2HB HIS 60 -1.125 0.065 -8.597 427 HB3 HIS 60 1HB HIS 60 -0.018 -1.099 -9.317 428 HD1 HIS 60 1HD HIS 60 -1.691 1.845 -11.033 429 HD2 HIS 60 2HD HIS 60 2.118 0.584 -9.908 430 HE1 HIS 60 1HE HIS 60 -0.065 3.506 -12.034 431 HE2 HIS 60 2HE HIS 60 2.265 2.751 -11.357 432 H LEU 61 H LEU 61 -2.926 -2.088 -8.437 433 HA LEU 61 HA LEU 61 -1.932 -4.705 -9.155 434 HB2 LEU 61 2HB LEU 61 -3.889 -4.011 -6.956 435 HB3 LEU 61 1HB LEU 61 -2.909 -5.464 -7.100 436 HG LEU 61 HG LEU 61 -1.770 -4.080 -5.524 437 HD11 LEU 61 1HD1 LEU 61 -0.417 -5.090 -7.474 438 HD12 LEU 61 2HD1 LEU 61 0.363 -3.831 -6.522 439 HD13 LEU 61 3HD1 LEU 61 -0.323 -3.438 -8.097 440 HD21 LEU 61 3HD2 LEU 61 -1.677 -1.803 -5.589 441 HD22 LEU 61 1HD2 LEU 61 -3.057 -1.980 -6.648 442 HD23 LEU 61 2HD2 LEU 61 -1.450 -1.729 -7.325 443 H ASP 62 H ASP 62 -5.067 -3.053 -9.123 444 HA ASP 62 HA ASP 62 -6.781 -3.471 -10.678 445 HB2 ASP 62 2HB ASP 62 -5.806 -6.327 -10.810 446 HB3 ASP 62 1HB ASP 62 -6.994 -5.546 -11.820 447 H VAL 63 H VAL 63 -7.553 -3.060 -8.396 448 HA VAL 63 HA VAL 63 -9.387 -5.158 -7.641 449 HB VAL 63 HB VAL 63 -8.502 -5.075 -5.215 450 HG11 VAL 63 1HG1 VAL 63 -7.139 -6.946 -5.566 451 HG12 VAL 63 2HG1 VAL 63 -6.545 -6.344 -7.110 452 HG13 VAL 63 3HG1 VAL 63 -8.193 -6.962 -6.973 453 HG21 VAL 63 3HG2 VAL 63 -6.099 -4.573 -5.023 454 HG22 VAL 63 1HG2 VAL 63 -7.004 -3.154 -5.551 455 HG23 VAL 63 2HG2 VAL 63 -6.070 -4.093 -6.721 456 H SER 64 H SER 64 -10.685 -4.441 -5.659 457 HA SER 64 HA SER 64 -11.011 -1.486 -5.677 458 HB2 SER 64 2HB SER 64 -13.324 -1.721 -5.705 459 HB3 SER 64 1HB SER 64 -12.836 -3.072 -6.727 460 HG SER 64 HG SER 64 -13.549 -3.093 -3.984 461 H LEU 65 H LEU 65 -11.284 -0.478 -3.739 462 HA LEU 65 HA LEU 65 -11.062 -2.149 -1.293 463 HB2 LEU 65 2HB LEU 65 -10.075 0.665 -1.182 464 HB3 LEU 65 1HB LEU 65 -9.414 -0.797 -0.457 465 HG LEU 65 HG LEU 65 -8.810 -1.481 -2.890 466 HD11 LEU 65 1HD1 LEU 65 -8.516 1.336 -3.668 467 HD12 LEU 65 2HD1 LEU 65 -10.206 0.891 -3.477 468 HD13 LEU 65 3HD1 LEU 65 -9.183 -0.020 -4.578 469 HD21 LEU 65 3HD2 LEU 65 -7.300 0.947 -1.898 470 HD22 LEU 65 1HD2 LEU 65 -6.662 -0.512 -2.649 471 HD23 LEU 65 2HD2 LEU 65 -7.258 -0.570 -0.998 472 H ASP 66 H ASP 66 -11.671 -0.712 0.683 473 HA ASP 66 HA ASP 66 -14.344 0.354 0.101 474 HB2 ASP 66 2HB ASP 66 -13.113 -1.130 2.323 475 HB3 ASP 66 1HB ASP 66 -14.127 0.206 2.870 476 HA PRO 67 HA PRO 67 -13.227 4.501 1.014 477 HB2 PRO 67 2HB PRO 67 -15.464 5.407 2.344 478 HB3 PRO 67 1HB PRO 67 -15.416 5.111 0.596 479 HG2 PRO 67 2HG PRO 67 -16.505 3.381 2.775 480 HG3 PRO 67 1HG PRO 67 -17.168 3.719 1.165 481 HD2 PRO 67 2HD PRO 67 -15.827 1.414 1.731 482 HD3 PRO 67 1HD PRO 67 -15.793 2.168 0.122 483 H THR 68 H THR 68 -15.151 3.658 3.886 484 HA THR 68 HA THR 68 -13.558 5.053 5.711 485 HB THR 68 HB THR 68 -15.337 2.655 6.215 486 HG1 THR 68 1HG THR 68 -15.794 5.257 5.580 487 HG21 THR 68 3HG2 THR 68 -13.974 2.976 8.141 488 HG22 THR 68 1HG2 THR 68 -15.500 3.781 8.500 489 HG23 THR 68 2HG2 THR 68 -14.092 4.731 8.020 490 H LEU 69 H LEU 69 -13.123 1.963 4.252 491 HA LEU 69 HA LEU 69 -11.425 0.785 6.207 492 HB2 LEU 69 2HB LEU 69 -12.534 -0.497 4.429 493 HB3 LEU 69 1HB LEU 69 -11.532 0.302 3.220 494 HG LEU 69 HG LEU 69 -10.321 -1.181 5.564 495 HD11 LEU 69 1HD1 LEU 69 -11.088 -2.325 2.866 496 HD12 LEU 69 2HD1 LEU 69 -11.801 -2.746 4.424 497 HD13 LEU 69 3HD1 LEU 69 -10.118 -3.153 4.086 498 HD21 LEU 69 3HD2 LEU 69 -9.293 0.147 3.116 499 HD22 LEU 69 1HD2 LEU 69 -8.639 -1.470 3.374 500 HD23 LEU 69 2HD2 LEU 69 -8.465 -0.246 4.625 501 H ILE 70 H ILE 70 -10.790 2.760 3.327 502 HA ILE 70 HA ILE 70 -8.000 2.617 3.322 503 HB ILE 70 HB ILE 70 -9.874 4.849 2.509 504 HG12 ILE 70 2HG1 ILE 70 -8.195 3.089 0.712 505 HG13 ILE 70 1HG1 ILE 70 -9.737 2.513 1.323 506 HG21 ILE 70 1HG2 ILE 70 -7.814 5.623 1.179 507 HG22 ILE 70 2HG2 ILE 70 -6.871 4.609 2.272 508 HG23 ILE 70 3HG2 ILE 70 -7.811 5.959 2.909 509 HD11 ILE 70 3HD1 ILE 70 -10.949 4.234 0.233 510 HD12 ILE 70 1HD1 ILE 70 -9.752 3.721 -0.957 511 HD13 ILE 70 2HD1 ILE 70 -9.493 5.200 -0.034 512 H TRP 71 H TRP 71 -10.162 4.792 5.105 513 HA TRP 71 HA TRP 71 -8.005 6.212 6.365 514 HB2 TRP 71 2HB TRP 71 -10.991 6.096 6.762 515 HB3 TRP 71 1HB TRP 71 -9.967 6.948 7.918 516 HD1 TRP 71 HD TRP 71 -11.771 7.479 4.777 517 HE1 TRP 71 1HE TRP 71 -10.990 9.648 3.618 518 HE3 TRP 71 3HE TRP 71 -7.520 8.420 7.442 519 HZ2 TRP 71 2HZ TRP 71 -8.838 11.532 3.801 520 HZ3 TRP 71 3HZ TRP 71 -6.126 10.402 6.932 521 HH2 TRP 71 HH TRP 71 -6.779 11.959 5.117 522 H ASP 72 H ASP 72 -9.609 3.220 6.899 523 HA ASP 72 HA ASP 72 -9.160 3.014 9.715 524 HB2 ASP 72 2HB ASP 72 -10.808 1.651 8.324 525 HB3 ASP 72 1HB ASP 72 -9.418 0.696 7.792 526 H HIS 73 H HIS 73 -7.416 1.911 6.839 527 HA HIS 73 HA HIS 73 -5.108 1.152 8.541 528 HB2 HIS 73 2HB HIS 73 -5.631 0.399 5.663 529 HB3 HIS 73 1HB HIS 73 -4.388 -0.253 6.737 530 HD1 HIS 73 1HD HIS 73 -6.516 -0.294 9.225 531 HD2 HIS 73 2HD HIS 73 -6.914 -2.152 5.518 532 HE1 HIS 73 1HE HIS 73 -8.173 -2.184 9.545 533 HE2 HIS 73 2HE HIS 73 -8.411 -3.337 7.294 534 HA PRO 74 HA PRO 74 -3.928 5.060 6.241 535 HB2 PRO 74 2HB PRO 74 -2.979 6.450 8.406 536 HB3 PRO 74 1HB PRO 74 -4.690 6.447 7.934 537 HG2 PRO 74 2HG PRO 74 -3.315 4.861 10.058 538 HG3 PRO 74 1HG PRO 74 -4.879 5.697 10.109 539 HD2 PRO 74 2HD PRO 74 -4.677 3.011 9.714 540 HD3 PRO 74 1HD PRO 74 -5.976 3.999 9.018 541 H THR 75 H THR 75 -2.410 2.711 8.156 542 HA THR 75 HA THR 75 0.307 3.654 7.425 543 HB THR 75 HB THR 75 0.994 1.892 9.157 544 HG1 THR 75 1HG THR 75 -0.665 1.395 10.637 545 HG21 THR 75 3HG2 THR 75 0.331 3.454 11.066 546 HG22 THR 75 1HG2 THR 75 -0.546 4.396 9.862 547 HG23 THR 75 2HG2 THR 75 1.202 4.201 9.728 548 H ILE 76 H ILE 76 1.810 2.135 6.636 549 HA ILE 76 HA ILE 76 0.786 0.422 4.616 550 HB ILE 76 HB ILE 76 3.559 0.721 5.775 551 HG12 ILE 76 2HG1 ILE 76 2.452 1.558 3.084 552 HG13 ILE 76 1HG1 ILE 76 2.458 2.628 4.483 553 HG21 ILE 76 1HG2 ILE 76 3.546 -1.480 4.853 554 HG22 ILE 76 2HG2 ILE 76 4.198 -0.460 3.573 555 HG23 ILE 76 3HG2 ILE 76 2.519 -0.991 3.507 556 HD11 ILE 76 3HD1 ILE 76 4.491 2.470 2.692 557 HD12 ILE 76 1HD1 ILE 76 5.062 1.324 3.896 558 HD13 ILE 76 2HD1 ILE 76 4.702 2.993 4.347 559 H ASP 77 H ASP 77 2.175 -0.174 7.823 560 HA ASP 77 HA ASP 77 2.433 -2.913 7.795 561 HB2 ASP 77 2HB ASP 77 3.053 -1.502 9.714 562 HB3 ASP 77 1HB ASP 77 1.348 -1.208 10.052 563 H ALA 78 H ALA 78 -0.509 -1.052 8.570 564 HA ALA 78 HA ALA 78 -2.160 -3.360 8.869 565 HB1 ALA 78 1HB ALA 78 -2.911 -1.368 9.928 566 HB2 ALA 78 2HB ALA 78 -4.031 -1.643 8.596 567 HB3 ALA 78 3HB ALA 78 -2.761 -0.429 8.443 568 H LEU 79 H LEU 79 -1.555 -1.092 6.215 569 HA LEU 79 HA LEU 79 -3.452 -2.080 4.422 570 HB2 LEU 79 2HB LEU 79 -1.513 -0.113 4.365 571 HB3 LEU 79 1HB LEU 79 -0.893 -1.253 3.192 572 HG LEU 79 HG LEU 79 -2.297 0.291 2.008 573 HD11 LEU 79 1HD1 LEU 79 -2.613 -2.392 1.779 574 HD12 LEU 79 2HD1 LEU 79 -3.484 -1.245 0.779 575 HD13 LEU 79 3HD1 LEU 79 -4.259 -1.955 2.196 576 HD21 LEU 79 3HD2 LEU 79 -4.293 1.145 2.809 577 HD22 LEU 79 1HD2 LEU 79 -3.679 0.613 4.369 578 HD23 LEU 79 2HD2 LEU 79 -4.811 -0.398 3.482 579 H SER 80 H SER 80 -0.021 -2.968 4.736 580 HA SER 80 HA SER 80 -0.023 -4.961 2.759 581 HB2 SER 80 2HB SER 80 2.090 -4.189 3.480 582 HB3 SER 80 1HB SER 80 1.705 -4.467 5.176 583 HG SER 80 HG SER 80 1.868 -6.633 4.856 584 H THR 81 H THR 81 -0.576 -5.112 6.254 585 HA THR 81 HA THR 81 -0.807 -7.885 6.532 586 HB THR 81 HB THR 81 -2.248 -5.685 8.025 587 HG1 THR 81 1HG THR 81 -0.409 -5.468 8.976 588 HG21 THR 81 3HG2 THR 81 -2.315 -7.524 9.823 589 HG22 THR 81 1HG2 THR 81 -1.989 -8.654 8.508 590 HG23 THR 81 2HG2 THR 81 -3.455 -7.673 8.484 591 H ALA 82 H ALA 82 -3.256 -5.458 5.679 592 HA ALA 82 HA ALA 82 -5.419 -7.299 5.558 593 HB1 ALA 82 1HB ALA 82 -6.497 -5.455 4.195 594 HB2 ALA 82 2HB ALA 82 -4.988 -4.557 4.366 595 HB3 ALA 82 3HB ALA 82 -5.932 -4.976 5.796 596 H LEU 83 H LEU 83 -3.124 -6.031 3.107 597 HA LEU 83 HA LEU 83 -4.404 -7.125 0.870 598 HB2 LEU 83 2HB LEU 83 -2.313 -5.452 1.205 599 HB3 LEU 83 1HB LEU 83 -1.400 -6.931 0.903 600 HG LEU 83 HG LEU 83 -3.557 -5.771 -0.882 601 HD11 LEU 83 1HD1 LEU 83 -1.515 -5.660 -2.450 602 HD12 LEU 83 2HD1 LEU 83 -0.547 -5.871 -0.992 603 HD13 LEU 83 3HD1 LEU 83 -1.600 -4.469 -1.153 604 HD21 LEU 83 3HD2 LEU 83 -2.609 -7.623 -2.426 605 HD22 LEU 83 1HD2 LEU 83 -3.703 -8.121 -1.132 606 HD23 LEU 83 2HD2 LEU 83 -1.957 -8.329 -0.948 607 H VAL 84 H VAL 84 -1.693 -8.398 2.818 608 HA VAL 84 HA VAL 84 -1.434 -10.820 1.406 609 HB VAL 84 HB VAL 84 0.267 -9.949 2.979 610 HG11 VAL 84 1HG1 VAL 84 -1.308 -9.170 4.689 611 HG12 VAL 84 2HG1 VAL 84 -0.071 -10.201 5.385 612 HG13 VAL 84 3HG1 VAL 84 -1.695 -10.830 5.115 613 HG21 VAL 84 3HG2 VAL 84 0.415 -12.291 2.396 614 HG22 VAL 84 1HG2 VAL 84 -0.844 -12.715 3.554 615 HG23 VAL 84 2HG2 VAL 84 0.713 -12.153 4.126 616 H ALA 85 H ALA 85 -3.618 -9.794 3.968 617 HA ALA 85 HA ALA 85 -4.542 -12.318 4.787 618 HB1 ALA 85 1HB ALA 85 -6.332 -11.144 5.804 619 HB2 ALA 85 2HB ALA 85 -6.266 -9.842 4.617 620 HB3 ALA 85 3HB ALA 85 -4.990 -10.001 5.824 621 H GLU 86 H GLU 86 -5.466 -10.187 2.108 622 HA GLU 86 HA GLU 86 -7.811 -11.387 1.242 623 HB2 GLU 86 2HB GLU 86 -5.535 -10.347 -0.473 624 HB3 GLU 86 1HB GLU 86 -7.175 -10.656 -1.042 625 HG2 GLU 86 2HG GLU 86 -6.470 -8.748 1.194 626 HG3 GLU 86 1HG GLU 86 -6.789 -8.259 -0.465 627 H LEU 87 H LEU 87 -4.656 -12.718 1.330 628 HA LEU 87 HA LEU 87 -5.493 -15.001 -0.369 629 HB2 LEU 87 2HB LEU 87 -3.399 -13.599 -0.985 630 HB3 LEU 87 1HB LEU 87 -2.638 -14.409 0.383 631 HG LEU 87 HG LEU 87 -3.669 -16.591 -0.789 632 HD11 LEU 87 1HD1 LEU 87 -4.745 -15.092 -2.559 633 HD12 LEU 87 2HD1 LEU 87 -3.794 -16.444 -3.170 634 HD13 LEU 87 3HD1 LEU 87 -3.117 -14.815 -3.173 635 HD21 LEU 87 3HD2 LEU 87 -1.496 -16.737 -2.115 636 HD22 LEU 87 1HD2 LEU 87 -1.323 -16.396 -0.392 637 HD23 LEU 87 2HD2 LEU 87 -1.162 -15.092 -1.567 638 H ARG 88 H ARG 88 -4.723 -13.988 2.787 639 HA ARG 88 HA ARG 88 -4.621 -16.803 3.707 640 HB2 ARG 88 2HB ARG 88 -2.433 -16.117 4.144 641 HB3 ARG 88 1HB ARG 88 -2.911 -14.455 4.480 642 HG2 ARG 88 2HG ARG 88 -3.793 -15.024 6.610 643 HG3 ARG 88 1HG ARG 88 -3.754 -16.752 6.249 644 HD2 ARG 88 2HD ARG 88 -1.289 -16.661 6.182 645 HD3 ARG 88 1HD ARG 88 -1.346 -14.942 6.552 646 HE ARG 88 HE ARG 88 -1.908 -15.464 8.767 647 HH11 ARG 88 1HH2 ARG 88 -2.002 -18.249 6.713 648 HH12 ARG 88 2HH2 ARG 88 -2.114 -19.379 8.021 649 HH21 ARG 88 1HH1 ARG 88 -2.059 -16.942 10.486 650 HH22 ARG 88 2HH1 ARG 88 -2.145 -18.640 10.155 651 H SER 89 H SER 89 -6.450 -17.247 4.738 652 HA SER 89 HA SER 89 -8.261 -17.052 6.119 653 HB2 SER 89 2HB SER 89 -7.855 -16.137 8.219 654 HB3 SER 89 1HB SER 89 -6.212 -16.404 7.643 655 HG SER 89 HG SER 89 -7.056 -14.191 8.494 656 H ALA 90 H ALA 90 -10.099 -15.723 6.607 657 HA ALA 90 HA ALA 90 -10.355 -13.442 4.747 658 HB1 ALA 90 1HB ALA 90 -12.813 -13.771 5.160 659 HB2 ALA 90 2HB ALA 90 -12.403 -15.192 6.123 660 HB3 ALA 90 3HB ALA 90 -12.012 -15.149 4.403 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 -13.505 -19.691 -1.735 2 H2 GLY 1 2HT GLY 1 -13.285 -18.016 -1.916 3 H3 GLY 1 3HT GLY 1 -11.964 -19.073 -2.074 4 HA2 GLY 1 2HA GLY 1 -14.178 -19.617 -3.857 5 HA3 GLY 1 1HA GLY 1 -13.341 -18.091 -4.141 6 H HIS 2 H HIS 2 -11.176 -18.100 -4.785 7 HA HIS 2 HA HIS 2 -9.725 -20.600 -5.048 8 HB2 HIS 2 2HB HIS 2 -11.263 -20.498 -7.049 9 HB3 HIS 2 1HB HIS 2 -10.395 -19.046 -7.552 10 HD1 HIS 2 1HD HIS 2 -8.081 -19.342 -8.577 11 HD2 HIS 2 2HD HIS 2 -9.632 -22.902 -7.061 12 HE1 HIS 2 1HE HIS 2 -6.531 -21.187 -9.357 13 HE2 HIS 2 2HE HIS 2 -7.464 -23.365 -8.441 14 H MET 3 H MET 3 -7.616 -20.119 -6.351 15 HA MET 3 HA MET 3 -6.187 -18.136 -4.947 16 HB2 MET 3 2HB MET 3 -5.498 -19.555 -7.535 17 HB3 MET 3 1HB MET 3 -4.363 -18.631 -6.552 18 HG2 MET 3 2HG MET 3 -5.940 -21.020 -5.553 19 HG3 MET 3 1HG MET 3 -4.269 -21.096 -6.108 20 HE1 MET 3 3HE MET 3 -2.580 -18.909 -5.079 21 HE2 MET 3 1HE MET 3 -2.325 -20.648 -4.872 22 HE3 MET 3 2HE MET 3 -2.142 -19.554 -3.502 23 H SER 4 H SER 4 -5.344 -16.144 -5.611 24 HA SER 4 HA SER 4 -7.050 -14.503 -7.130 25 HB2 SER 4 2HB SER 4 -4.138 -13.992 -6.494 26 HB3 SER 4 1HB SER 4 -5.367 -12.789 -6.874 27 HG SER 4 HG SER 4 -5.713 -14.605 -4.745 28 H ASP 5 H ASP 5 -5.373 -13.005 -8.764 29 HA ASP 5 HA ASP 5 -4.577 -14.903 -10.900 30 HB2 ASP 5 2HB ASP 5 -6.807 -13.817 -11.325 31 HB3 ASP 5 1HB ASP 5 -5.976 -12.262 -11.347 32 H LEU 6 H LEU 6 -2.551 -14.297 -9.516 33 HA LEU 6 HA LEU 6 -1.210 -12.072 -10.919 34 HB2 LEU 6 2HB LEU 6 -1.720 -12.239 -8.101 35 HB3 LEU 6 1HB LEU 6 0.004 -12.470 -8.321 36 HG LEU 6 HG LEU 6 -1.542 -10.191 -9.571 37 HD11 LEU 6 1HD1 LEU 6 0.125 -10.259 -7.037 38 HD12 LEU 6 2HD1 LEU 6 -1.631 -10.104 -7.104 39 HD13 LEU 6 3HD1 LEU 6 -0.608 -8.821 -7.750 40 HD21 LEU 6 3HD2 LEU 6 0.861 -9.258 -9.617 41 HD22 LEU 6 1HD2 LEU 6 0.515 -10.561 -10.749 42 HD23 LEU 6 2HD2 LEU 6 1.390 -10.900 -9.259 43 H SER 7 H SER 7 1.118 -12.277 -11.006 44 HA SER 7 HA SER 7 1.964 -15.082 -11.328 45 HB2 SER 7 2HB SER 7 3.718 -14.049 -12.830 46 HB3 SER 7 1HB SER 7 2.062 -13.991 -13.401 47 HG SER 7 HG SER 7 3.464 -11.906 -12.082 48 H THR 8 H THR 8 4.457 -15.248 -11.192 49 HA THR 8 HA THR 8 6.272 -15.303 -9.814 50 HB THR 8 HB THR 8 5.578 -12.505 -8.941 51 HG1 THR 8 1HG THR 8 6.431 -11.783 -10.877 52 HG21 THR 8 3HG2 THR 8 8.038 -12.262 -8.999 53 HG22 THR 8 1HG2 THR 8 8.192 -13.913 -9.597 54 HG23 THR 8 2HG2 THR 8 7.573 -13.619 -7.973 55 H ALA 9 H ALA 9 3.176 -14.743 -8.662 56 HA ALA 9 HA ALA 9 2.145 -15.280 -6.724 57 HB1 ALA 9 1HB ALA 9 3.098 -16.843 -5.290 58 HB2 ALA 9 2HB ALA 9 4.737 -16.304 -5.645 59 HB3 ALA 9 3HB ALA 9 3.812 -17.184 -6.863 60 HA PRO 10 HA PRO 10 3.512 -11.495 -4.591 61 HB2 PRO 10 2HB PRO 10 1.188 -11.004 -3.218 62 HB3 PRO 10 1HB PRO 10 1.385 -10.636 -4.943 63 HG2 PRO 10 2HG PRO 10 0.004 -12.928 -3.639 64 HG3 PRO 10 1HG PRO 10 -0.436 -12.031 -5.101 65 HD2 PRO 10 2HD PRO 10 0.801 -14.501 -5.118 66 HD3 PRO 10 1HD PRO 10 0.914 -13.331 -6.452 67 H THR 11 H THR 11 4.884 -11.657 -2.928 68 HA THR 11 HA THR 11 4.172 -13.354 -0.606 69 HB THR 11 HB THR 11 6.909 -12.279 -1.313 70 HG1 THR 11 1HG THR 11 6.661 -13.632 -2.922 71 HG21 THR 11 3HG2 THR 11 5.869 -14.436 0.541 72 HG22 THR 11 1HG2 THR 11 6.724 -12.962 0.987 73 HG23 THR 11 2HG2 THR 11 7.571 -14.248 0.131 74 H LEU 12 H LEU 12 4.751 -12.551 1.512 75 HA LEU 12 HA LEU 12 3.682 -10.079 2.121 76 HB2 LEU 12 2HB LEU 12 5.669 -11.825 3.574 77 HB3 LEU 12 1HB LEU 12 5.106 -10.309 4.274 78 HG LEU 12 HG LEU 12 2.747 -11.112 3.975 79 HD11 LEU 12 1HD1 LEU 12 2.612 -13.697 3.723 80 HD12 LEU 12 2HD1 LEU 12 4.235 -13.582 3.047 81 HD13 LEU 12 3HD1 LEU 12 2.892 -12.751 2.261 82 HD21 LEU 12 3HD2 LEU 12 3.890 -11.336 6.145 83 HD22 LEU 12 1HD2 LEU 12 4.589 -12.873 5.635 84 HD23 LEU 12 2HD2 LEU 12 2.847 -12.729 5.863 85 H ASP 13 H ASP 13 7.087 -10.921 1.572 86 HA ASP 13 HA ASP 13 8.061 -8.294 2.100 87 HB2 ASP 13 2HB ASP 13 9.463 -10.253 0.310 88 HB3 ASP 13 1HB ASP 13 10.152 -9.066 1.407 89 H SER 14 H SER 14 6.970 -9.993 -0.835 90 HA SER 14 HA SER 14 7.900 -8.045 -2.674 91 HB2 SER 14 2HB SER 14 6.467 -9.124 -4.247 92 HB3 SER 14 1HB SER 14 7.270 -10.350 -3.272 93 HG SER 14 HG SER 14 4.836 -10.422 -3.628 94 H LEU 15 H LEU 15 4.835 -8.489 -0.921 95 HA LEU 15 HA LEU 15 3.571 -6.306 -2.235 96 HB2 LEU 15 2HB LEU 15 2.902 -7.619 0.400 97 HB3 LEU 15 1HB LEU 15 1.841 -6.569 -0.511 98 HG LEU 15 HG LEU 15 2.991 -9.150 -1.575 99 HD11 LEU 15 1HD1 LEU 15 0.537 -9.877 -1.304 100 HD12 LEU 15 2HD1 LEU 15 0.391 -8.504 -0.203 101 HD13 LEU 15 3HD1 LEU 15 1.528 -9.799 0.152 102 HD21 LEU 15 3HD2 LEU 15 2.440 -7.876 -3.462 103 HD22 LEU 15 1HD2 LEU 15 1.090 -7.079 -2.654 104 HD23 LEU 15 2HD2 LEU 15 0.944 -8.753 -3.174 105 H ARG 16 H ARG 16 4.446 -6.648 1.172 106 HA ARG 16 HA ARG 16 4.235 -4.151 2.123 107 HB2 ARG 16 2HB ARG 16 5.151 -5.950 3.460 108 HB3 ARG 16 1HB ARG 16 6.631 -5.932 2.516 109 HG2 ARG 16 2HG ARG 16 5.869 -3.310 3.732 110 HG3 ARG 16 1HG ARG 16 6.331 -4.565 4.874 111 HD2 ARG 16 2HD ARG 16 8.440 -4.903 3.495 112 HD3 ARG 16 1HD ARG 16 7.997 -3.467 2.590 113 HE ARG 16 HE ARG 16 7.951 -2.891 5.359 114 HH11 ARG 16 1HH2 ARG 16 10.048 -3.598 2.704 115 HH12 ARG 16 2HH2 ARG 16 11.385 -2.697 3.338 116 HH21 ARG 16 1HH1 ARG 16 9.688 -1.712 6.201 117 HH22 ARG 16 2HH1 ARG 16 11.179 -1.627 5.324 118 H VAL 17 H VAL 17 7.155 -5.244 0.326 119 HA VAL 17 HA VAL 17 8.457 -2.747 0.253 120 HB VAL 17 HB VAL 17 9.749 -3.713 -1.614 121 HG11 VAL 17 1HG1 VAL 17 10.625 -4.525 0.403 122 HG12 VAL 17 2HG1 VAL 17 10.184 -6.058 -0.372 123 HG13 VAL 17 3HG1 VAL 17 9.131 -5.343 0.849 124 HG21 VAL 17 3HG2 VAL 17 7.455 -5.604 -1.572 125 HG22 VAL 17 1HG2 VAL 17 8.998 -6.146 -2.196 126 HG23 VAL 17 2HG2 VAL 17 8.155 -4.796 -2.955 127 H TRP 18 H TRP 18 6.024 -4.230 -1.907 128 HA TRP 18 HA TRP 18 6.131 -2.330 -3.978 129 HB2 TRP 18 2HB TRP 18 4.434 -3.611 -4.813 130 HB3 TRP 18 1HB TRP 18 4.544 -4.559 -3.340 131 HD1 TRP 18 HD TRP 18 2.457 -4.458 -1.710 132 HE1 TRP 18 1HE TRP 18 0.333 -3.094 -1.596 133 HE3 TRP 18 3HE TRP 18 3.304 -1.142 -5.522 134 HZ2 TRP 18 2HZ TRP 18 -0.872 -0.958 -2.885 135 HZ3 TRP 18 3HZ TRP 18 1.601 0.548 -6.031 136 HH2 TRP 18 HH TRP 18 -0.483 0.625 -4.696 137 H LEU 19 H LEU 19 4.094 -2.366 -1.054 138 HA LEU 19 HA LEU 19 2.668 -0.013 -1.515 139 HB2 LEU 19 2HB LEU 19 3.321 -1.740 0.770 140 HB3 LEU 19 1HB LEU 19 3.037 -0.075 1.238 141 HG LEU 19 HG LEU 19 1.029 -1.195 -0.670 142 HD11 LEU 19 1HD1 LEU 19 1.433 -3.135 0.764 143 HD12 LEU 19 2HD1 LEU 19 -0.158 -2.440 1.000 144 HD13 LEU 19 3HD1 LEU 19 1.101 -2.146 2.186 145 HD21 LEU 19 3HD2 LEU 19 1.071 1.088 0.574 146 HD22 LEU 19 1HD2 LEU 19 0.509 0.163 1.963 147 HD23 LEU 19 2HD2 LEU 19 -0.443 0.206 0.482 148 H VAL 20 H VAL 20 5.559 -0.329 0.611 149 HA VAL 20 HA VAL 20 5.870 2.426 0.938 150 HB VAL 20 HB VAL 20 6.993 0.850 2.379 151 HG11 VAL 20 1HG1 VAL 20 7.287 -0.825 0.440 152 HG12 VAL 20 2HG1 VAL 20 8.573 -0.751 1.634 153 HG13 VAL 20 3HG1 VAL 20 8.772 0.042 0.072 154 HG21 VAL 20 3HG2 VAL 20 8.090 3.091 1.742 155 HG22 VAL 20 1HG2 VAL 20 9.180 2.137 0.744 156 HG23 VAL 20 2HG2 VAL 20 9.129 1.879 2.487 157 H ASP 21 H ASP 21 7.449 0.229 -1.381 158 HA ASP 21 HA ASP 21 9.042 2.141 -2.625 159 HB2 ASP 21 2HB ASP 21 9.236 -0.291 -3.007 160 HB3 ASP 21 1HB ASP 21 7.701 -0.272 -3.870 161 H CYS 22 H CYS 22 5.663 1.340 -3.095 162 HA CYS 22 HA CYS 22 5.243 2.804 -5.481 163 HB2 CYS 22 2HB CYS 22 3.642 1.135 -4.599 164 HB3 CYS 22 1HB CYS 22 3.256 2.228 -3.272 165 HG CYS 22 HG CYS 22 2.575 3.971 -5.299 166 H VAL 23 H VAL 23 4.817 3.678 -2.044 167 HA VAL 23 HA VAL 23 3.880 6.297 -2.543 168 HB VAL 23 HB VAL 23 5.450 5.290 -0.186 169 HG11 VAL 23 1HG1 VAL 23 3.378 7.480 -0.097 170 HG12 VAL 23 2HG1 VAL 23 5.037 7.866 -0.527 171 HG13 VAL 23 3HG1 VAL 23 4.685 7.145 1.028 172 HG21 VAL 23 3HG2 VAL 23 2.448 5.441 -0.497 173 HG22 VAL 23 1HG2 VAL 23 3.352 4.710 0.833 174 HG23 VAL 23 2HG2 VAL 23 3.377 3.974 -0.771 175 H ALA 24 H ALA 24 7.186 5.067 -1.811 176 HA ALA 24 HA ALA 24 8.590 7.428 -1.820 177 HB1 ALA 24 1HB ALA 24 9.441 5.044 -1.455 178 HB2 ALA 24 2HB ALA 24 10.520 6.151 -2.304 179 HB3 ALA 24 3HB ALA 24 9.595 4.952 -3.210 180 H GLY 25 H GLY 25 7.802 5.399 -4.623 181 HA2 GLY 25 2HA GLY 25 8.948 7.113 -6.559 182 HA3 GLY 25 1HA GLY 25 7.698 5.915 -6.886 183 H HIS 26 H HIS 26 5.632 6.915 -5.276 184 HA HIS 26 HA HIS 26 4.413 8.786 -6.948 185 HB2 HIS 26 2HB HIS 26 3.899 8.000 -4.087 186 HB3 HIS 26 1HB HIS 26 2.892 9.183 -4.909 187 HD1 HIS 26 1HD HIS 26 3.905 6.957 -7.459 188 HD2 HIS 26 2HD HIS 26 1.089 6.711 -4.397 189 HE1 HIS 26 1HE HIS 26 2.269 5.148 -8.134 190 HE2 HIS 26 2HE HIS 26 0.547 4.986 -6.278 191 H LEU 27 H LEU 27 5.915 9.382 -3.712 192 HA LEU 27 HA LEU 27 5.670 12.254 -4.127 193 HB2 LEU 27 2HB LEU 27 7.026 10.713 -1.907 194 HB3 LEU 27 1HB LEU 27 6.571 12.418 -1.879 195 HG LEU 27 HG LEU 27 4.644 10.087 -2.153 196 HD11 LEU 27 1HD1 LEU 27 5.413 10.109 0.103 197 HD12 LEU 27 2HD1 LEU 27 3.882 10.989 0.132 198 HD13 LEU 27 3HD1 LEU 27 5.411 11.872 0.166 199 HD21 LEU 27 3HD2 LEU 27 3.580 11.872 -3.247 200 HD22 LEU 27 1HD2 LEU 27 4.312 13.085 -2.195 201 HD23 LEU 27 2HD2 LEU 27 3.006 12.066 -1.594 202 H GLY 28 H GLY 28 8.173 9.783 -4.139 203 HA2 GLY 28 2HA GLY 28 10.101 9.906 -5.532 204 HA3 GLY 28 1HA GLY 28 10.053 11.662 -5.413 205 H LEU 29 H LEU 29 9.382 10.689 -2.352 206 HA LEU 29 HA LEU 29 11.956 11.375 -1.359 207 HB2 LEU 29 2HB LEU 29 9.723 10.000 0.148 208 HB3 LEU 29 1HB LEU 29 11.020 10.986 0.822 209 HG LEU 29 HG LEU 29 8.837 11.947 -1.047 210 HD11 LEU 29 1HD1 LEU 29 9.353 12.473 1.895 211 HD12 LEU 29 2HD1 LEU 29 8.026 11.526 1.223 212 HD13 LEU 29 3HD1 LEU 29 8.108 13.262 0.927 213 HD21 LEU 29 3HD2 LEU 29 11.304 13.267 0.098 214 HD22 LEU 29 1HD2 LEU 29 9.878 14.231 -0.283 215 HD23 LEU 29 2HD2 LEU 29 10.688 13.319 -1.553 216 H ASP 30 H ASP 30 12.736 9.769 0.551 217 HA ASP 30 HA ASP 30 13.686 7.411 -0.877 218 HB2 ASP 30 2HB ASP 30 14.341 8.694 1.767 219 HB3 ASP 30 1HB ASP 30 14.940 7.086 1.366 220 H ALA 31 H ALA 31 13.028 5.385 -0.576 221 HA ALA 31 HA ALA 31 10.604 4.754 0.671 222 HB1 ALA 31 1HB ALA 31 12.868 3.080 -0.332 223 HB2 ALA 31 2HB ALA 31 11.258 3.299 -1.023 224 HB3 ALA 31 3HB ALA 31 11.461 2.353 0.447 225 H ALA 32 H ALA 32 13.933 4.531 1.869 226 HA ALA 32 HA ALA 32 13.354 3.014 4.180 227 HB1 ALA 32 1HB ALA 32 15.588 4.933 3.512 228 HB2 ALA 32 2HB ALA 32 15.605 3.175 3.358 229 HB3 ALA 32 3HB ALA 32 15.553 3.921 4.955 230 H THR 33 H THR 33 12.554 6.211 3.372 231 HA THR 33 HA THR 33 11.925 6.767 6.210 232 HB THR 33 HB THR 33 12.454 9.232 5.555 233 HG1 THR 33 1HG THR 33 12.813 8.876 3.380 234 HG21 THR 33 3HG2 THR 33 14.928 8.785 6.073 235 HG22 THR 33 1HG2 THR 33 14.517 7.071 6.046 236 HG23 THR 33 2HG2 THR 33 13.769 8.136 7.235 237 H ILE 34 H ILE 34 10.204 5.668 4.237 238 HA ILE 34 HA ILE 34 8.610 7.882 3.223 239 HB ILE 34 HB ILE 34 8.491 4.903 3.093 240 HG12 ILE 34 2HG1 ILE 34 9.549 6.456 1.415 241 HG13 ILE 34 1HG1 ILE 34 8.387 5.312 0.752 242 HG21 ILE 34 1HG2 ILE 34 6.236 5.155 1.894 243 HG22 ILE 34 2HG2 ILE 34 6.085 6.669 2.778 244 HG23 ILE 34 3HG2 ILE 34 6.189 5.135 3.637 245 HD11 ILE 34 3HD1 ILE 34 7.096 7.839 1.501 246 HD12 ILE 34 1HD1 ILE 34 7.127 7.005 -0.050 247 HD13 ILE 34 2HD1 ILE 34 8.435 8.094 0.398 248 H ALA 35 H ALA 35 7.467 5.150 5.131 249 HA ALA 35 HA ALA 35 6.676 6.501 7.419 250 HB1 ALA 35 1HB ALA 35 4.575 6.458 5.231 251 HB2 ALA 35 2HB ALA 35 5.170 7.874 6.102 252 HB3 ALA 35 3HB ALA 35 4.196 6.681 6.928 253 H THR 36 H THR 36 7.427 3.802 6.065 254 HA THR 36 HA THR 36 5.671 1.816 6.070 255 HB THR 36 HB THR 36 7.357 0.358 6.852 256 HG1 THR 36 1HG THR 36 8.290 2.632 8.264 257 HG21 THR 36 3HG2 THR 36 7.950 1.971 4.881 258 HG22 THR 36 1HG2 THR 36 9.250 1.044 5.631 259 HG23 THR 36 2HG2 THR 36 9.024 2.740 6.049 260 H ASP 37 H ASP 37 6.757 3.408 9.076 261 HA ASP 37 HA ASP 37 4.815 1.820 10.623 262 HB2 ASP 37 2HB ASP 37 6.996 3.762 11.425 263 HB3 ASP 37 1HB ASP 37 5.950 2.905 12.556 264 H LEU 38 H LEU 38 5.182 4.909 9.139 265 HA LEU 38 HA LEU 38 3.165 6.140 10.892 266 HB2 LEU 38 2HB LEU 38 5.179 7.182 8.946 267 HB3 LEU 38 1HB LEU 38 3.803 8.183 9.316 268 HG LEU 38 HG LEU 38 5.409 6.929 11.545 269 HD11 LEU 38 1HD1 LEU 38 7.058 7.991 10.082 270 HD12 LEU 38 2HD1 LEU 38 6.870 8.915 11.573 271 HD13 LEU 38 3HD1 LEU 38 6.118 9.484 10.079 272 HD21 LEU 38 3HD2 LEU 38 4.747 9.131 12.632 273 HD22 LEU 38 1HD2 LEU 38 3.414 8.045 12.251 274 HD23 LEU 38 2HD2 LEU 38 3.742 9.438 11.216 275 HA PRO 39 HA PRO 39 -0.025 5.694 7.886 276 HB2 PRO 39 2HB PRO 39 -1.507 7.967 8.308 277 HB3 PRO 39 1HB PRO 39 -1.498 6.592 9.429 278 HG2 PRO 39 2HG PRO 39 -0.008 9.177 9.593 279 HG3 PRO 39 1HG PRO 39 -0.823 8.262 10.876 280 HD2 PRO 39 2HD PRO 39 1.875 8.183 10.516 281 HD3 PRO 39 1HD PRO 39 0.957 6.811 11.161 282 H LEU 40 H LEU 40 -1.224 7.110 6.158 283 HA LEU 40 HA LEU 40 0.774 8.144 4.354 284 HB2 LEU 40 2HB LEU 40 -0.964 8.252 2.722 285 HB3 LEU 40 1HB LEU 40 -1.251 6.786 3.654 286 HG LEU 40 HG LEU 40 -2.655 9.431 4.153 287 HD11 LEU 40 1HD1 LEU 40 -3.172 8.211 1.981 288 HD12 LEU 40 2HD1 LEU 40 -4.531 8.567 3.046 289 HD13 LEU 40 3HD1 LEU 40 -3.853 6.938 2.993 290 HD21 LEU 40 3HD2 LEU 40 -4.179 7.798 5.455 291 HD22 LEU 40 1HD2 LEU 40 -2.651 8.263 6.188 292 HD23 LEU 40 2HD2 LEU 40 -2.802 6.697 5.390 293 H THR 41 H THR 41 -1.444 9.454 6.637 294 HA THR 41 HA THR 41 -1.931 11.983 5.651 295 HB THR 41 HB THR 41 -1.319 11.488 8.561 296 HG1 THR 41 1HG THR 41 -2.693 9.897 8.246 297 HG21 THR 41 3HG2 THR 41 -1.918 13.795 7.590 298 HG22 THR 41 1HG2 THR 41 -2.900 13.221 8.937 299 HG23 THR 41 2HG2 THR 41 -3.522 13.119 7.289 300 H SER 42 H SER 42 0.987 10.700 7.160 301 HA SER 42 HA SER 42 2.374 12.937 7.845 302 HB2 SER 42 2HB SER 42 3.435 10.843 8.199 303 HB3 SER 42 1HB SER 42 3.245 10.378 6.510 304 HG SER 42 HG SER 42 4.999 12.271 7.657 305 H TYR 43 H TYR 43 1.655 11.796 4.583 306 HA TYR 43 HA TYR 43 3.469 13.574 3.244 307 HB2 TYR 43 2HB TYR 43 0.994 12.370 2.028 308 HB3 TYR 43 1HB TYR 43 2.520 12.732 1.254 309 HD1 TYR 43 2HD TYR 43 4.414 11.581 3.331 310 HD2 TYR 43 1HD TYR 43 0.788 10.038 1.604 311 HE1 TYR 43 2HE TYR 43 5.175 9.283 3.773 312 HE2 TYR 43 1HE TYR 43 1.583 7.734 2.057 313 HH TYR 43 HH TYR 43 4.666 7.157 3.655 314 H GLY 44 H GLY 44 0.668 14.134 4.927 315 HA2 GLY 44 2HA GLY 44 -0.663 15.983 5.163 316 HA3 GLY 44 1HA GLY 44 0.575 16.864 4.271 317 H LEU 45 H LEU 45 -0.748 14.117 2.712 318 HA LEU 45 HA LEU 45 -1.699 15.587 0.513 319 HB2 LEU 45 2HB LEU 45 -2.424 13.504 -0.360 320 HB3 LEU 45 1HB LEU 45 -0.960 13.166 0.551 321 HG LEU 45 HG LEU 45 -3.815 12.704 1.499 322 HD11 LEU 45 1HD1 LEU 45 -3.453 10.429 1.173 323 HD12 LEU 45 2HD1 LEU 45 -1.695 10.589 1.197 324 HD13 LEU 45 3HD1 LEU 45 -2.606 11.116 -0.215 325 HD21 LEU 45 3HD2 LEU 45 -2.541 13.302 3.443 326 HD22 LEU 45 1HD2 LEU 45 -1.144 12.403 2.882 327 HD23 LEU 45 2HD2 LEU 45 -2.580 11.555 3.424 328 H ASP 46 H ASP 46 -3.659 16.381 -0.028 329 HA ASP 46 HA ASP 46 -5.614 16.776 2.005 330 HB2 ASP 46 2HB ASP 46 -5.663 17.221 -0.979 331 HB3 ASP 46 1HB ASP 46 -6.994 17.665 0.089 332 H SER 47 H SER 47 -8.057 16.349 1.104 333 HA SER 47 HA SER 47 -8.403 13.510 1.331 334 HB2 SER 47 2HB SER 47 -9.999 15.119 2.312 335 HB3 SER 47 1HB SER 47 -10.429 15.666 0.694 336 HG SER 47 HG SER 47 -10.688 13.143 0.508 337 H VAL 48 H VAL 48 -8.527 15.853 -1.287 338 HA VAL 48 HA VAL 48 -9.774 14.236 -3.235 339 HB VAL 48 HB VAL 48 -7.773 16.486 -3.554 340 HG11 VAL 48 1HG1 VAL 48 -9.528 15.019 -5.535 341 HG12 VAL 48 2HG1 VAL 48 -7.782 15.255 -5.606 342 HG13 VAL 48 3HG1 VAL 48 -8.867 16.622 -5.858 343 HG21 VAL 48 3HG2 VAL 48 -9.776 17.845 -3.968 344 HG22 VAL 48 1HG2 VAL 48 -9.893 17.071 -2.387 345 HG23 VAL 48 2HG2 VAL 48 -10.802 16.426 -3.753 346 H TYR 49 H TYR 49 -6.531 14.312 -1.987 347 HA TYR 49 HA TYR 49 -5.189 13.052 -4.124 348 HB2 TYR 49 2HB TYR 49 -4.669 13.664 -1.301 349 HB3 TYR 49 1HB TYR 49 -3.917 12.155 -1.792 350 HD1 TYR 49 1HD TYR 49 -4.522 15.492 -3.389 351 HD2 TYR 49 2HD TYR 49 -1.695 12.415 -2.407 352 HE1 TYR 49 1HE TYR 49 -2.730 16.767 -4.530 353 HE2 TYR 49 2HE TYR 49 0.086 13.678 -3.522 354 HH TYR 49 HH TYR 49 -0.058 16.828 -4.261 355 H ALA 50 H ALA 50 -6.706 11.668 -1.221 356 HA ALA 50 HA ALA 50 -6.110 9.012 -1.601 357 HB1 ALA 50 1HB ALA 50 -8.864 9.913 -0.757 358 HB2 ALA 50 2HB ALA 50 -7.462 10.103 0.296 359 HB3 ALA 50 3HB ALA 50 -7.967 8.493 -0.221 360 H LEU 51 H LEU 51 -8.802 10.847 -3.008 361 HA LEU 51 HA LEU 51 -10.115 8.840 -4.305 362 HB2 LEU 51 2HB LEU 51 -10.569 11.392 -4.305 363 HB3 LEU 51 1HB LEU 51 -9.542 11.429 -5.735 364 HG LEU 51 HG LEU 51 -11.897 11.277 -6.358 365 HD11 LEU 51 1HD1 LEU 51 -11.649 9.643 -8.014 366 HD12 LEU 51 2HD1 LEU 51 -10.736 8.568 -6.963 367 HD13 LEU 51 3HD1 LEU 51 -9.978 10.042 -7.600 368 HD21 LEU 51 3HD2 LEU 51 -12.313 9.828 -4.127 369 HD22 LEU 51 1HD2 LEU 51 -12.196 8.498 -5.288 370 HD23 LEU 51 2HD2 LEU 51 -13.406 9.758 -5.507 371 H SER 52 H SER 52 -7.664 10.828 -5.987 372 HA SER 52 HA SER 52 -7.423 8.976 -8.119 373 HB2 SER 52 2HB SER 52 -6.925 11.463 -8.092 374 HB3 SER 52 1HB SER 52 -5.379 11.039 -7.331 375 HG SER 52 HG SER 52 -4.759 10.043 -9.150 376 H ILE 53 H ILE 53 -5.357 9.722 -5.335 377 HA ILE 53 HA ILE 53 -3.309 7.914 -5.930 378 HB ILE 53 HB ILE 53 -4.303 8.807 -3.215 379 HG12 ILE 53 2HG1 ILE 53 -3.601 10.569 -5.062 380 HG13 ILE 53 1HG1 ILE 53 -2.982 10.731 -3.417 381 HG21 ILE 53 1HG2 ILE 53 -1.780 7.443 -4.151 382 HG22 ILE 53 2HG2 ILE 53 -2.837 7.006 -2.809 383 HG23 ILE 53 3HG2 ILE 53 -1.796 8.423 -2.684 384 HD11 ILE 53 3HD1 ILE 53 -0.846 9.942 -3.997 385 HD12 ILE 53 1HD1 ILE 53 -1.294 10.910 -5.404 386 HD13 ILE 53 2HD1 ILE 53 -1.422 9.155 -5.461 387 H ALA 54 H ALA 54 -5.894 7.467 -3.512 388 HA ALA 54 HA ALA 54 -5.434 4.800 -2.971 389 HB1 ALA 54 1HB ALA 54 -8.234 5.896 -3.196 390 HB2 ALA 54 2HB ALA 54 -7.145 6.393 -1.897 391 HB3 ALA 54 3HB ALA 54 -7.611 4.702 -2.064 392 H ALA 55 H ALA 55 -7.207 6.244 -5.655 393 HA ALA 55 HA ALA 55 -8.235 3.793 -6.711 394 HB1 ALA 55 1HB ALA 55 -9.227 5.925 -7.327 395 HB2 ALA 55 2HB ALA 55 -8.623 5.112 -8.770 396 HB3 ALA 55 3HB ALA 55 -7.712 6.447 -8.064 397 H GLU 56 H GLU 56 -5.292 5.641 -7.262 398 HA GLU 56 HA GLU 56 -4.383 4.057 -9.462 399 HB2 GLU 56 2HB GLU 56 -3.432 6.331 -7.929 400 HB3 GLU 56 1HB GLU 56 -2.108 5.195 -8.157 401 HG2 GLU 56 2HG GLU 56 -2.158 6.778 -10.009 402 HG3 GLU 56 1HG GLU 56 -2.593 5.174 -10.600 403 H LEU 57 H LEU 57 -3.573 4.027 -6.008 404 HA LEU 57 HA LEU 57 -1.679 1.938 -6.094 405 HB2 LEU 57 2HB LEU 57 -3.598 2.669 -3.861 406 HB3 LEU 57 1HB LEU 57 -2.104 1.768 -3.674 407 HG LEU 57 HG LEU 57 -2.246 4.586 -4.764 408 HD11 LEU 57 1HD1 LEU 57 -1.593 3.576 -1.984 409 HD12 LEU 57 2HD1 LEU 57 -2.967 4.587 -2.438 410 HD13 LEU 57 3HD1 LEU 57 -1.327 5.231 -2.532 411 HD21 LEU 57 3HD2 LEU 57 0.226 4.504 -4.075 412 HD22 LEU 57 1HD2 LEU 57 -0.221 3.583 -5.506 413 HD23 LEU 57 2HD2 LEU 57 0.022 2.759 -3.967 414 H GLU 58 H GLU 58 -5.154 1.846 -5.343 415 HA GLU 58 HA GLU 58 -5.221 -0.993 -5.090 416 HB2 GLU 58 2HB GLU 58 -7.630 -0.750 -5.129 417 HB3 GLU 58 1HB GLU 58 -6.907 0.454 -4.099 418 HG2 GLU 58 2HG GLU 58 -8.218 1.929 -5.301 419 HG3 GLU 58 1HG GLU 58 -6.926 1.824 -6.462 420 H ASP 59 H ASP 59 -5.840 1.205 -7.793 421 HA ASP 59 HA ASP 59 -6.918 -0.661 -9.612 422 HB2 ASP 59 2HB ASP 59 -7.081 1.685 -10.097 423 HB3 ASP 59 1HB ASP 59 -5.327 1.872 -10.073 424 H HIS 60 H HIS 60 -3.678 -0.048 -8.561 425 HA HIS 60 HA HIS 60 -2.368 -1.351 -10.746 426 HB2 HIS 60 2HB HIS 60 -1.573 -0.360 -8.044 427 HB3 HIS 60 1HB HIS 60 -0.541 -1.605 -8.747 428 HD1 HIS 60 1HD HIS 60 -2.207 1.623 -9.894 429 HD2 HIS 60 2HD HIS 60 1.363 -0.470 -10.369 430 HE1 HIS 60 1HE HIS 60 -0.735 3.055 -11.371 431 HE2 HIS 60 2HE HIS 60 1.451 1.792 -11.671 432 H LEU 61 H LEU 61 -3.662 -2.489 -7.666 433 HA LEU 61 HA LEU 61 -2.804 -5.241 -8.301 434 HB2 LEU 61 2HB LEU 61 -3.963 -4.167 -5.709 435 HB3 LEU 61 1HB LEU 61 -3.231 -5.740 -5.962 436 HG LEU 61 HG LEU 61 -1.546 -4.461 -4.905 437 HD11 LEU 61 1HD1 LEU 61 0.226 -4.384 -6.463 438 HD12 LEU 61 2HD1 LEU 61 -0.857 -4.020 -7.803 439 HD13 LEU 61 3HD1 LEU 61 -0.867 -5.629 -7.069 440 HD21 LEU 61 3HD2 LEU 61 -2.804 -2.282 -5.400 441 HD22 LEU 61 1HD2 LEU 61 -1.849 -2.214 -6.870 442 HD23 LEU 61 2HD2 LEU 61 -1.054 -2.211 -5.334 443 H ASP 62 H ASP 62 -5.074 -3.698 -9.541 444 HA ASP 62 HA ASP 62 -7.303 -3.983 -10.021 445 HB2 ASP 62 2HB ASP 62 -6.202 -6.771 -9.793 446 HB3 ASP 62 1HB ASP 62 -7.809 -6.417 -10.414 447 H VAL 63 H VAL 63 -7.592 -3.163 -7.656 448 HA VAL 63 HA VAL 63 -9.546 -4.933 -6.386 449 HB VAL 63 HB VAL 63 -8.389 -4.348 -4.111 450 HG11 VAL 63 1HG1 VAL 63 -8.552 -6.613 -5.089 451 HG12 VAL 63 2HG1 VAL 63 -7.033 -6.353 -4.235 452 HG13 VAL 63 3HG1 VAL 63 -7.078 -6.306 -5.995 453 HG21 VAL 63 3HG2 VAL 63 -6.138 -3.972 -6.101 454 HG22 VAL 63 1HG2 VAL 63 -5.881 -4.249 -4.385 455 HG23 VAL 63 2HG2 VAL 63 -6.717 -2.801 -4.929 456 H SER 64 H SER 64 -10.843 -3.803 -4.777 457 HA SER 64 HA SER 64 -10.774 -0.849 -5.067 458 HB2 SER 64 2HB SER 64 -13.092 -0.778 -5.336 459 HB3 SER 64 1HB SER 64 -12.671 -2.220 -6.257 460 HG SER 64 HG SER 64 -13.325 -3.478 -4.568 461 H LEU 65 H LEU 65 -11.330 0.334 -3.240 462 HA LEU 65 HA LEU 65 -11.452 -1.187 -0.689 463 HB2 LEU 65 2HB LEU 65 -10.300 1.565 -0.615 464 HB3 LEU 65 1HB LEU 65 -9.799 0.105 0.240 465 HG LEU 65 HG LEU 65 -8.990 -0.748 -2.039 466 HD11 LEU 65 1HD1 LEU 65 -9.256 0.531 -3.862 467 HD12 LEU 65 2HD1 LEU 65 -8.463 1.909 -3.085 468 HD13 LEU 65 3HD1 LEU 65 -10.198 1.677 -2.920 469 HD21 LEU 65 3HD2 LEU 65 -7.610 1.700 -0.899 470 HD22 LEU 65 1HD2 LEU 65 -6.849 0.379 -1.783 471 HD23 LEU 65 2HD2 LEU 65 -7.527 0.090 -0.181 472 H ASP 66 H ASP 66 -12.337 0.151 1.114 473 HA ASP 66 HA ASP 66 -14.734 1.487 0.112 474 HB2 ASP 66 2HB ASP 66 -14.184 -0.314 2.283 475 HB3 ASP 66 1HB ASP 66 -14.870 1.164 2.950 476 HA PRO 67 HA PRO 67 -13.613 5.607 1.261 477 HB2 PRO 67 2HB PRO 67 -16.113 5.716 2.914 478 HB3 PRO 67 1HB PRO 67 -15.560 6.813 1.636 479 HG2 PRO 67 2HG PRO 67 -17.518 5.027 1.228 480 HG3 PRO 67 1HG PRO 67 -16.369 5.473 -0.046 481 HD2 PRO 67 2HD PRO 67 -16.526 2.947 1.542 482 HD3 PRO 67 1HD PRO 67 -15.921 3.233 -0.107 483 H THR 68 H THR 68 -15.420 4.514 4.131 484 HA THR 68 HA THR 68 -13.634 5.677 5.985 485 HB THR 68 HB THR 68 -14.890 4.373 7.674 486 HG1 THR 68 1HG THR 68 -15.751 2.589 7.041 487 HG21 THR 68 3HG2 THR 68 -16.599 5.609 5.497 488 HG22 THR 68 1HG2 THR 68 -15.835 6.477 6.829 489 HG23 THR 68 2HG2 THR 68 -17.120 5.312 7.156 490 H LEU 69 H LEU 69 -13.499 2.773 4.215 491 HA LEU 69 HA LEU 69 -11.915 1.248 6.055 492 HB2 LEU 69 2HB LEU 69 -13.220 0.184 4.290 493 HB3 LEU 69 1HB LEU 69 -12.233 0.956 3.057 494 HG LEU 69 HG LEU 69 -11.013 -0.765 5.223 495 HD11 LEU 69 1HD1 LEU 69 -12.022 -1.684 2.522 496 HD12 LEU 69 2HD1 LEU 69 -12.741 -2.076 4.083 497 HD13 LEU 69 3HD1 LEU 69 -11.128 -2.669 3.684 498 HD21 LEU 69 3HD2 LEU 69 -9.999 0.609 2.800 499 HD22 LEU 69 1HD2 LEU 69 -9.521 -1.082 2.882 500 HD23 LEU 69 2HD2 LEU 69 -9.111 0.007 4.207 501 H ILE 70 H ILE 70 -11.173 3.353 3.292 502 HA ILE 70 HA ILE 70 -8.425 2.896 3.142 503 HB ILE 70 HB ILE 70 -10.051 5.388 2.586 504 HG12 ILE 70 2HG1 ILE 70 -8.720 3.502 0.629 505 HG13 ILE 70 1HG1 ILE 70 -10.340 3.195 1.239 506 HG21 ILE 70 1HG2 ILE 70 -7.123 4.783 2.155 507 HG22 ILE 70 2HG2 ILE 70 -7.840 6.198 2.926 508 HG23 ILE 70 3HG2 ILE 70 -7.977 5.981 1.183 509 HD11 ILE 70 3HD1 ILE 70 -11.103 5.366 0.401 510 HD12 ILE 70 1HD1 ILE 70 -10.382 4.436 -0.912 511 HD13 ILE 70 2HD1 ILE 70 -9.469 5.743 -0.154 512 H TRP 71 H TRP 71 -10.289 4.996 5.271 513 HA TRP 71 HA TRP 71 -7.930 6.141 6.498 514 HB2 TRP 71 2HB TRP 71 -10.883 6.283 7.126 515 HB3 TRP 71 1HB TRP 71 -9.659 7.048 8.140 516 HD1 TRP 71 HD TRP 71 -11.757 7.700 5.205 517 HE1 TRP 71 1HE TRP 71 -10.944 9.792 3.934 518 HE3 TRP 71 3HE TRP 71 -7.187 8.334 7.391 519 HZ2 TRP 71 2HZ TRP 71 -8.646 11.504 3.845 520 HZ3 TRP 71 3HZ TRP 71 -5.709 10.198 6.701 521 HH2 TRP 71 HH TRP 71 -6.428 11.786 4.939 522 H ASP 72 H ASP 72 -9.433 3.175 6.688 523 HA ASP 72 HA ASP 72 -9.054 2.736 9.541 524 HB2 ASP 72 2HB ASP 72 -10.911 1.678 8.159 525 HB3 ASP 72 1HB ASP 72 -9.669 0.638 7.450 526 H HIS 73 H HIS 73 -7.497 1.934 6.497 527 HA HIS 73 HA HIS 73 -5.189 0.799 7.990 528 HB2 HIS 73 2HB HIS 73 -5.902 0.185 5.117 529 HB3 HIS 73 1HB HIS 73 -4.784 -0.685 6.179 530 HD1 HIS 73 1HD HIS 73 -6.743 -0.721 8.683 531 HD2 HIS 73 2HD HIS 73 -7.731 -1.890 4.809 532 HE1 HIS 73 1HE HIS 73 -8.731 -2.280 8.888 533 HE2 HIS 73 2HE HIS 73 -9.333 -3.012 6.532 534 HA PRO 74 HA PRO 74 -3.961 4.633 5.502 535 HB2 PRO 74 2HB PRO 74 -3.230 6.235 7.604 536 HB3 PRO 74 1HB PRO 74 -4.894 6.150 6.987 537 HG2 PRO 74 2HG PRO 74 -3.687 4.795 9.361 538 HG3 PRO 74 1HG PRO 74 -5.261 5.601 9.202 539 HD2 PRO 74 2HD PRO 74 -4.990 2.881 9.063 540 HD3 PRO 74 1HD PRO 74 -6.239 3.789 8.182 541 H THR 75 H THR 75 -2.627 2.349 7.501 542 HA THR 75 HA THR 75 0.146 3.361 7.159 543 HB THR 75 HB THR 75 0.637 1.502 8.896 544 HG1 THR 75 1HG THR 75 -2.141 1.901 9.328 545 HG21 THR 75 3HG2 THR 75 -0.868 4.051 9.490 546 HG22 THR 75 1HG2 THR 75 0.874 3.754 9.583 547 HG23 THR 75 2HG2 THR 75 -0.214 3.027 10.769 548 H ILE 76 H ILE 76 1.707 2.058 6.313 549 HA ILE 76 HA ILE 76 0.943 0.314 4.231 550 HB ILE 76 HB ILE 76 3.612 0.755 5.584 551 HG12 ILE 76 2HG1 ILE 76 2.704 1.592 2.817 552 HG13 ILE 76 1HG1 ILE 76 2.410 2.600 4.227 553 HG21 ILE 76 1HG2 ILE 76 3.931 -1.383 4.627 554 HG22 ILE 76 2HG2 ILE 76 4.417 -0.321 3.306 555 HG23 ILE 76 3HG2 ILE 76 2.821 -1.063 3.300 556 HD11 ILE 76 3HD1 ILE 76 5.195 1.584 3.768 557 HD12 ILE 76 1HD1 ILE 76 4.646 3.092 4.513 558 HD13 ILE 76 2HD1 ILE 76 4.596 2.908 2.771 559 H ASP 77 H ASP 77 2.217 -0.304 7.480 560 HA ASP 77 HA ASP 77 2.519 -3.059 7.331 561 HB2 ASP 77 2HB ASP 77 1.733 -1.226 9.593 562 HB3 ASP 77 1HB ASP 77 1.964 -2.953 9.841 563 H ALA 78 H ALA 78 -0.383 -1.178 8.211 564 HA ALA 78 HA ALA 78 -2.048 -3.447 8.603 565 HB1 ALA 78 1HB ALA 78 -2.625 -1.267 9.552 566 HB2 ALA 78 2HB ALA 78 -3.907 -1.804 8.467 567 HB3 ALA 78 3HB ALA 78 -2.759 -0.572 7.937 568 H LEU 79 H LEU 79 -1.531 -1.250 5.859 569 HA LEU 79 HA LEU 79 -3.467 -2.359 4.176 570 HB2 LEU 79 2HB LEU 79 -1.809 -0.247 3.958 571 HB3 LEU 79 1HB LEU 79 -0.929 -1.372 2.948 572 HG LEU 79 HG LEU 79 -2.418 -0.164 1.512 573 HD11 LEU 79 1HD1 LEU 79 -2.276 -2.754 1.323 574 HD12 LEU 79 2HD1 LEU 79 -3.524 -1.921 0.417 575 HD13 LEU 79 3HD1 LEU 79 -3.921 -2.746 1.925 576 HD21 LEU 79 3HD2 LEU 79 -4.032 0.214 3.694 577 HD22 LEU 79 1HD2 LEU 79 -4.938 -1.057 2.875 578 HD23 LEU 79 2HD2 LEU 79 -4.588 0.455 2.043 579 H SER 80 H SER 80 -0.058 -3.183 4.650 580 HA SER 80 HA SER 80 0.152 -5.102 2.604 581 HB2 SER 80 2HB SER 80 2.094 -5.939 3.887 582 HB3 SER 80 1HB SER 80 2.116 -4.184 3.736 583 HG SER 80 HG SER 80 0.817 -4.430 5.852 584 H THR 81 H THR 81 -0.718 -5.394 6.031 585 HA THR 81 HA THR 81 -0.989 -8.186 6.144 586 HB THR 81 HB THR 81 -2.535 -6.055 7.637 587 HG1 THR 81 1HG THR 81 -0.448 -5.862 8.183 588 HG21 THR 81 3HG2 THR 81 -2.800 -7.943 9.319 589 HG22 THR 81 1HG2 THR 81 -2.263 -9.038 8.046 590 HG23 THR 81 2HG2 THR 81 -3.748 -8.111 7.839 591 H ALA 82 H ALA 82 -3.338 -5.685 5.233 592 HA ALA 82 HA ALA 82 -5.490 -7.512 4.815 593 HB1 ALA 82 1HB ALA 82 -4.976 -4.691 3.865 594 HB2 ALA 82 2HB ALA 82 -6.025 -5.207 5.186 595 HB3 ALA 82 3HB ALA 82 -6.466 -5.569 3.517 596 H LEU 83 H LEU 83 -2.985 -6.092 2.681 597 HA LEU 83 HA LEU 83 -4.070 -7.013 0.271 598 HB2 LEU 83 2HB LEU 83 -2.026 -5.358 0.892 599 HB3 LEU 83 1HB LEU 83 -1.081 -6.813 0.560 600 HG LEU 83 HG LEU 83 -3.083 -5.504 -1.301 601 HD11 LEU 83 1HD1 LEU 83 -1.083 -4.233 -1.298 602 HD12 LEU 83 2HD1 LEU 83 -0.931 -5.304 -2.691 603 HD13 LEU 83 3HD1 LEU 83 -0.075 -5.667 -1.197 604 HD21 LEU 83 3HD2 LEU 83 -2.033 -7.270 -2.892 605 HD22 LEU 83 1HD2 LEU 83 -3.248 -7.813 -1.735 606 HD23 LEU 83 2HD2 LEU 83 -1.538 -8.093 -1.416 607 H VAL 84 H VAL 84 -1.520 -8.411 2.349 608 HA VAL 84 HA VAL 84 -1.117 -10.721 0.799 609 HB VAL 84 HB VAL 84 0.428 -9.958 2.579 610 HG11 VAL 84 1HG1 VAL 84 -1.386 -9.368 4.174 611 HG12 VAL 84 2HG1 VAL 84 -0.105 -10.318 4.900 612 HG13 VAL 84 3HG1 VAL 84 -1.640 -11.078 4.479 613 HG21 VAL 84 3HG2 VAL 84 0.651 -12.242 1.823 614 HG22 VAL 84 1HG2 VAL 84 -0.687 -12.769 2.841 615 HG23 VAL 84 2HG2 VAL 84 0.811 -12.239 3.578 616 H ALA 85 H ALA 85 -3.481 -9.907 3.268 617 HA ALA 85 HA ALA 85 -4.458 -12.470 3.834 618 HB1 ALA 85 1HB ALA 85 -5.040 -10.333 5.031 619 HB2 ALA 85 2HB ALA 85 -6.425 -11.358 4.651 620 HB3 ALA 85 3HB ALA 85 -6.084 -9.935 3.666 621 H GLU 86 H GLU 86 -5.140 -10.221 1.216 622 HA GLU 86 HA GLU 86 -7.395 -11.460 0.105 623 HB2 GLU 86 2HB GLU 86 -7.070 -10.051 -1.702 624 HB3 GLU 86 1HB GLU 86 -5.994 -9.264 -0.548 625 HG2 GLU 86 2HG GLU 86 -4.636 -9.459 -2.433 626 HG3 GLU 86 1HG GLU 86 -4.178 -10.869 -1.499 627 H LEU 87 H LEU 87 -4.144 -12.518 0.249 628 HA LEU 87 HA LEU 87 -4.374 -14.390 -1.980 629 HB2 LEU 87 2HB LEU 87 -2.229 -13.098 -1.326 630 HB3 LEU 87 1HB LEU 87 -2.079 -14.278 -0.027 631 HG LEU 87 HG LEU 87 -2.300 -16.090 -1.795 632 HD11 LEU 87 1HD1 LEU 87 -3.134 -15.172 -3.756 633 HD12 LEU 87 2HD1 LEU 87 -1.412 -15.106 -4.117 634 HD13 LEU 87 3HD1 LEU 87 -2.249 -13.658 -3.557 635 HD21 LEU 87 3HD2 LEU 87 -0.150 -15.752 -0.885 636 HD22 LEU 87 1HD2 LEU 87 0.033 -14.182 -1.664 637 HD23 LEU 87 2HD2 LEU 87 0.109 -15.659 -2.628 638 H ARG 88 H ARG 88 -4.956 -14.323 1.364 639 HA ARG 88 HA ARG 88 -4.520 -17.123 1.856 640 HB2 ARG 88 2HB ARG 88 -6.007 -15.014 3.434 641 HB3 ARG 88 1HB ARG 88 -5.624 -16.631 4.019 642 HG2 ARG 88 2HG ARG 88 -3.473 -14.761 3.024 643 HG3 ARG 88 1HG ARG 88 -4.034 -14.715 4.694 644 HD2 ARG 88 2HD ARG 88 -3.522 -17.203 4.826 645 HD3 ARG 88 1HD ARG 88 -2.740 -17.050 3.257 646 HE ARG 88 HE ARG 88 -0.969 -15.973 4.288 647 HH11 ARG 88 1HH2 ARG 88 -3.737 -16.133 6.357 648 HH12 ARG 88 2HH2 ARG 88 -2.892 -15.574 7.762 649 HH21 ARG 88 1HH1 ARG 88 0.147 -15.247 6.120 650 HH22 ARG 88 2HH1 ARG 88 -0.690 -15.071 7.625 651 H SER 89 H SER 89 -7.276 -16.747 3.393 652 HA SER 89 HA SER 89 -8.736 -18.451 1.619 653 HB2 SER 89 2HB SER 89 -8.937 -18.618 4.071 654 HB3 SER 89 1HB SER 89 -9.642 -17.004 4.120 655 HG SER 89 HG SER 89 -11.438 -18.078 3.855 656 H ALA 90 H ALA 90 -9.474 -15.211 2.927 657 HA ALA 90 HA ALA 90 -10.772 -13.501 2.100 658 HB1 ALA 90 1HB ALA 90 -10.515 -13.057 -0.333 659 HB2 ALA 90 2HB ALA 90 -9.702 -14.611 -0.504 660 HB3 ALA 90 3HB ALA 90 -8.971 -13.337 0.472 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 3.248 -22.174 -19.377 2 H2 GLY 1 2HT GLY 1 2.435 -21.257 -18.201 3 H3 GLY 1 3HT GLY 1 2.475 -22.951 -18.083 4 HA2 GLY 1 2HA GLY 1 4.085 -22.408 -16.573 5 HA3 GLY 1 1HA GLY 1 5.039 -22.600 -18.044 6 H HIS 2 H HIS 2 2.814 -19.939 -17.616 7 HA HIS 2 HA HIS 2 4.925 -18.022 -18.044 8 HB2 HIS 2 2HB HIS 2 1.982 -17.660 -17.432 9 HB3 HIS 2 1HB HIS 2 3.088 -16.357 -17.872 10 HD1 HIS 2 1HD HIS 2 0.835 -16.734 -19.790 11 HD2 HIS 2 2HD HIS 2 4.356 -18.943 -20.115 12 HE1 HIS 2 1HE HIS 2 0.959 -17.537 -22.189 13 HE2 HIS 2 2HE HIS 2 3.100 -18.884 -22.403 14 H MET 3 H MET 3 5.895 -16.710 -16.589 15 HA MET 3 HA MET 3 5.924 -17.418 -13.856 16 HB2 MET 3 2HB MET 3 7.806 -16.294 -15.015 17 HB3 MET 3 1HB MET 3 6.834 -14.826 -15.129 18 HG2 MET 3 2HG MET 3 6.699 -14.677 -12.696 19 HG3 MET 3 1HG MET 3 7.556 -16.209 -12.528 20 HE1 MET 3 3HE MET 3 10.017 -16.247 -11.980 21 HE2 MET 3 1HE MET 3 11.124 -15.602 -13.199 22 HE3 MET 3 2HE MET 3 9.799 -16.660 -13.679 23 H SER 4 H SER 4 3.679 -17.380 -13.257 24 HA SER 4 HA SER 4 2.790 -14.698 -12.413 25 HB2 SER 4 2HB SER 4 0.845 -16.658 -13.620 26 HB3 SER 4 1HB SER 4 0.610 -14.947 -13.277 27 HG SER 4 HG SER 4 1.371 -15.994 -15.528 28 H ASP 5 H ASP 5 4.002 -16.958 -11.000 29 HA ASP 5 HA ASP 5 1.831 -18.156 -9.451 30 HB2 ASP 5 2HB ASP 5 3.652 -19.356 -8.301 31 HB3 ASP 5 1HB ASP 5 3.747 -19.543 -10.050 32 H LEU 6 H LEU 6 1.913 -15.377 -9.237 33 HA LEU 6 HA LEU 6 2.110 -15.038 -6.387 34 HB2 LEU 6 2HB LEU 6 3.860 -13.373 -6.350 35 HB3 LEU 6 1HB LEU 6 4.496 -14.770 -7.196 36 HG LEU 6 HG LEU 6 5.184 -12.934 -8.487 37 HD11 LEU 6 1HD1 LEU 6 4.196 -13.296 -10.613 38 HD12 LEU 6 2HD1 LEU 6 2.645 -13.744 -9.905 39 HD13 LEU 6 3HD1 LEU 6 4.039 -14.816 -9.739 40 HD21 LEU 6 3HD2 LEU 6 2.514 -11.661 -8.931 41 HD22 LEU 6 1HD2 LEU 6 4.105 -10.927 -8.766 42 HD23 LEU 6 2HD2 LEU 6 3.221 -11.435 -7.323 43 H SER 7 H SER 7 0.668 -14.440 -9.269 44 HA SER 7 HA SER 7 0.106 -11.664 -9.090 45 HB2 SER 7 2HB SER 7 -1.093 -13.963 -10.604 46 HB3 SER 7 1HB SER 7 -1.791 -12.348 -10.694 47 HG SER 7 HG SER 7 -0.246 -11.870 -12.030 48 H THR 8 H THR 8 -2.237 -14.320 -8.852 49 HA THR 8 HA THR 8 -3.939 -12.697 -7.168 50 HB THR 8 HB THR 8 -5.337 -14.812 -7.183 51 HG1 THR 8 1HG THR 8 -3.592 -15.597 -9.249 52 HG21 THR 8 3HG2 THR 8 -6.026 -14.494 -9.532 53 HG22 THR 8 1HG2 THR 8 -4.537 -13.602 -9.845 54 HG23 THR 8 2HG2 THR 8 -5.741 -12.947 -8.736 55 H ALA 9 H ALA 9 -1.200 -13.867 -6.376 56 HA ALA 9 HA ALA 9 -1.895 -14.357 -3.648 57 HB1 ALA 9 1HB ALA 9 -0.834 -16.643 -5.301 58 HB2 ALA 9 2HB ALA 9 -2.375 -16.576 -4.445 59 HB3 ALA 9 3HB ALA 9 -0.863 -16.622 -3.538 60 HA PRO 10 HA PRO 10 2.354 -12.639 -4.824 61 HB2 PRO 10 2HB PRO 10 1.419 -10.548 -2.913 62 HB3 PRO 10 1HB PRO 10 2.257 -10.362 -4.467 63 HG2 PRO 10 2HG PRO 10 -0.327 -9.814 -4.251 64 HG3 PRO 10 1HG PRO 10 0.321 -10.626 -5.692 65 HD2 PRO 10 2HD PRO 10 -1.210 -11.837 -3.372 66 HD3 PRO 10 1HD PRO 10 -1.326 -12.161 -5.112 67 H THR 11 H THR 11 3.855 -11.536 -2.842 68 HA THR 11 HA THR 11 3.702 -13.480 -0.605 69 HB THR 11 HB THR 11 6.207 -12.257 -1.783 70 HG1 THR 11 1HG THR 11 6.359 -13.994 -3.020 71 HG21 THR 11 3HG2 THR 11 7.265 -14.105 -0.479 72 HG22 THR 11 1HG2 THR 11 5.677 -14.501 0.179 73 HG23 THR 11 2HG2 THR 11 6.417 -12.941 0.540 74 H LEU 12 H LEU 12 4.444 -12.716 1.431 75 HA LEU 12 HA LEU 12 3.489 -10.227 2.200 76 HB2 LEU 12 2HB LEU 12 5.664 -11.903 3.463 77 HB3 LEU 12 1HB LEU 12 4.859 -10.550 4.249 78 HG LEU 12 HG LEU 12 2.708 -12.076 3.347 79 HD11 LEU 12 1HD1 LEU 12 4.697 -14.029 4.530 80 HD12 LEU 12 2HD1 LEU 12 4.412 -13.888 2.796 81 HD13 LEU 12 3HD1 LEU 12 3.100 -14.380 3.867 82 HD21 LEU 12 3HD2 LEU 12 2.747 -11.077 5.537 83 HD22 LEU 12 1HD2 LEU 12 4.122 -12.065 6.030 84 HD23 LEU 12 2HD2 LEU 12 2.544 -12.812 5.773 85 H ASP 13 H ASP 13 6.876 -11.157 1.601 86 HA ASP 13 HA ASP 13 7.913 -8.559 2.068 87 HB2 ASP 13 2HB ASP 13 9.216 -10.541 0.227 88 HB3 ASP 13 1HB ASP 13 9.965 -9.379 1.314 89 H SER 14 H SER 14 6.783 -10.241 -0.863 90 HA SER 14 HA SER 14 7.685 -8.298 -2.707 91 HB2 SER 14 2HB SER 14 6.093 -9.332 -4.234 92 HB3 SER 14 1HB SER 14 7.054 -10.541 -3.391 93 HG SER 14 HG SER 14 4.660 -9.733 -2.211 94 H LEU 15 H LEU 15 4.691 -8.664 -0.836 95 HA LEU 15 HA LEU 15 3.393 -6.500 -2.152 96 HB2 LEU 15 2HB LEU 15 2.853 -7.838 0.504 97 HB3 LEU 15 1HB LEU 15 1.787 -6.649 -0.226 98 HG LEU 15 HG LEU 15 2.666 -9.162 -1.623 99 HD11 LEU 15 1HD1 LEU 15 0.241 -9.869 -1.052 100 HD12 LEU 15 2HD1 LEU 15 0.337 -8.639 0.209 101 HD13 LEU 15 3HD1 LEU 15 1.464 -9.995 0.209 102 HD21 LEU 15 3HD2 LEU 15 0.162 -8.296 -2.585 103 HD22 LEU 15 1HD2 LEU 15 1.715 -8.171 -3.404 104 HD23 LEU 15 2HD2 LEU 15 1.117 -6.828 -2.434 105 H ARG 16 H ARG 16 4.373 -6.743 1.239 106 HA ARG 16 HA ARG 16 4.225 -4.218 2.117 107 HB2 ARG 16 2HB ARG 16 5.153 -5.957 3.509 108 HB3 ARG 16 1HB ARG 16 6.586 -6.051 2.498 109 HG2 ARG 16 2HG ARG 16 5.999 -3.336 3.585 110 HG3 ARG 16 1HG ARG 16 6.446 -4.543 4.787 111 HD2 ARG 16 2HD ARG 16 8.478 -5.076 3.403 112 HD3 ARG 16 1HD ARG 16 8.064 -3.738 2.349 113 HE ARG 16 HE ARG 16 8.763 -2.258 3.992 114 HH11 ARG 16 1HH2 ARG 16 8.450 -5.478 5.215 115 HH12 ARG 16 2HH2 ARG 16 9.228 -5.126 6.722 116 HH21 ARG 16 1HH1 ARG 16 9.779 -1.788 5.953 117 HH22 ARG 16 2HH1 ARG 16 9.982 -3.032 7.140 118 H VAL 17 H VAL 17 7.084 -5.411 0.284 119 HA VAL 17 HA VAL 17 8.414 -2.942 0.096 120 HB VAL 17 HB VAL 17 9.654 -3.980 -1.755 121 HG11 VAL 17 1HG1 VAL 17 9.980 -6.364 -0.528 122 HG12 VAL 17 2HG1 VAL 17 9.011 -5.577 0.718 123 HG13 VAL 17 3HG1 VAL 17 10.538 -4.860 0.221 124 HG21 VAL 17 3HG2 VAL 17 8.822 -6.347 -2.390 125 HG22 VAL 17 1HG2 VAL 17 7.945 -4.967 -3.055 126 HG23 VAL 17 2HG2 VAL 17 7.314 -5.828 -1.666 127 H TRP 18 H TRP 18 5.922 -4.447 -1.968 128 HA TRP 18 HA TRP 18 5.996 -2.572 -4.065 129 HB2 TRP 18 2HB TRP 18 4.296 -3.864 -4.860 130 HB3 TRP 18 1HB TRP 18 4.414 -4.794 -3.374 131 HD1 TRP 18 HD TRP 18 2.369 -4.664 -1.726 132 HE1 TRP 18 1HE TRP 18 0.237 -3.323 -1.613 133 HE3 TRP 18 3HE TRP 18 3.187 -1.378 -5.563 134 HZ2 TRP 18 2HZ TRP 18 -0.992 -1.192 -2.900 135 HZ3 TRP 18 3HZ TRP 18 1.456 0.308 -6.072 136 HH2 TRP 18 HH TRP 18 -0.624 0.378 -4.722 137 H LEU 19 H LEU 19 4.020 -2.591 -1.106 138 HA LEU 19 HA LEU 19 2.555 -0.261 -1.565 139 HB2 LEU 19 2HB LEU 19 3.245 -1.973 0.710 140 HB3 LEU 19 1HB LEU 19 2.989 -0.307 1.180 141 HG LEU 19 HG LEU 19 0.960 -1.495 -0.670 142 HD11 LEU 19 1HD1 LEU 19 -0.242 -2.531 1.152 143 HD12 LEU 19 2HD1 LEU 19 1.076 -2.185 2.261 144 HD13 LEU 19 3HD1 LEU 19 1.313 -3.304 0.914 145 HD21 LEU 19 3HD2 LEU 19 1.043 0.894 0.372 146 HD22 LEU 19 1HD2 LEU 19 0.451 0.101 1.831 147 HD23 LEU 19 2HD2 LEU 19 -0.488 0.034 0.339 148 H VAL 20 H VAL 20 5.437 -0.486 0.597 149 HA VAL 20 HA VAL 20 5.717 2.244 0.949 150 HB VAL 20 HB VAL 20 6.922 0.612 2.289 151 HG11 VAL 20 1HG1 VAL 20 8.695 0.040 -0.093 152 HG12 VAL 20 2HG1 VAL 20 7.273 -0.938 0.262 153 HG13 VAL 20 3HG1 VAL 20 8.586 -0.842 1.430 154 HG21 VAL 20 3HG2 VAL 20 8.947 2.172 0.674 155 HG22 VAL 20 1HG2 VAL 20 9.051 1.710 2.372 156 HG23 VAL 20 2HG2 VAL 20 7.881 2.925 1.860 157 H ASP 21 H ASP 21 7.270 0.131 -1.480 158 HA ASP 21 HA ASP 21 8.776 2.101 -2.741 159 HB2 ASP 21 2HB ASP 21 9.045 -0.289 -3.218 160 HB3 ASP 21 1HB ASP 21 7.443 -0.341 -3.948 161 H CYS 22 H CYS 22 5.382 1.304 -3.040 162 HA CYS 22 HA CYS 22 4.812 2.746 -5.393 163 HB2 CYS 22 2HB CYS 22 2.733 1.925 -5.005 164 HB3 CYS 22 1HB CYS 22 3.357 1.209 -3.537 165 HG CYS 22 HG CYS 22 2.559 3.382 -2.241 166 H VAL 23 H VAL 23 4.656 3.672 -1.954 167 HA VAL 23 HA VAL 23 3.741 6.308 -2.421 168 HB VAL 23 HB VAL 23 5.467 5.405 -0.138 169 HG11 VAL 23 1HG1 VAL 23 3.165 7.353 -0.066 170 HG12 VAL 23 2HG1 VAL 23 4.791 7.882 -0.491 171 HG13 VAL 23 3HG1 VAL 23 4.485 7.165 1.086 172 HG21 VAL 23 3HG2 VAL 23 2.498 5.023 -0.585 173 HG22 VAL 23 1HG2 VAL 23 3.279 4.853 0.990 174 HG23 VAL 23 2HG2 VAL 23 3.706 3.766 -0.332 175 H ALA 24 H ALA 24 7.049 5.071 -1.765 176 HA ALA 24 HA ALA 24 8.476 7.408 -1.864 177 HB1 ALA 24 1HB ALA 24 9.309 5.005 -1.519 178 HB2 ALA 24 2HB ALA 24 10.372 6.103 -2.400 179 HB3 ALA 24 3HB ALA 24 9.409 4.916 -3.278 180 H GLY 25 H GLY 25 7.648 5.349 -4.654 181 HA2 GLY 25 2HA GLY 25 8.737 7.086 -6.601 182 HA3 GLY 25 1HA GLY 25 7.516 5.854 -6.910 183 H HIS 26 H HIS 26 5.449 6.815 -5.272 184 HA HIS 26 HA HIS 26 4.147 8.613 -6.953 185 HB2 HIS 26 2HB HIS 26 3.698 8.010 -4.028 186 HB3 HIS 26 1HB HIS 26 2.589 8.955 -5.022 187 HD1 HIS 26 1HD HIS 26 3.134 7.098 -7.615 188 HD2 HIS 26 2HD HIS 26 1.864 5.839 -3.854 189 HE1 HIS 26 1HE HIS 26 1.962 4.880 -7.964 190 HE2 HIS 26 2HE HIS 26 1.180 4.098 -5.678 191 H LEU 27 H LEU 27 5.709 9.305 -3.780 192 HA LEU 27 HA LEU 27 5.366 12.168 -4.220 193 HB2 LEU 27 2HB LEU 27 6.793 10.700 -1.994 194 HB3 LEU 27 1HB LEU 27 6.287 12.391 -1.989 195 HG LEU 27 HG LEU 27 4.427 10.004 -2.209 196 HD11 LEU 27 1HD1 LEU 27 5.522 10.346 0.040 197 HD12 LEU 27 2HD1 LEU 27 3.765 10.506 0.065 198 HD13 LEU 27 3HD1 LEU 27 4.782 11.947 0.094 199 HD21 LEU 27 3HD2 LEU 27 3.292 11.741 -3.301 200 HD22 LEU 27 1HD2 LEU 27 4.016 12.990 -2.285 201 HD23 LEU 27 2HD2 LEU 27 2.745 11.950 -1.639 202 H GLY 28 H GLY 28 7.932 9.753 -4.273 203 HA2 GLY 28 2HA GLY 28 9.838 9.946 -5.693 204 HA3 GLY 28 1HA GLY 28 9.733 11.698 -5.565 205 H LEU 29 H LEU 29 9.142 10.645 -2.520 206 HA LEU 29 HA LEU 29 11.719 11.407 -1.548 207 HB2 LEU 29 2HB LEU 29 9.519 10.030 -0.008 208 HB3 LEU 29 1HB LEU 29 10.816 11.026 0.643 209 HG LEU 29 HG LEU 29 8.602 11.962 -1.200 210 HD11 LEU 29 1HD1 LEU 29 9.161 12.675 1.691 211 HD12 LEU 29 2HD1 LEU 29 7.959 11.491 1.180 212 HD13 LEU 29 3HD1 LEU 29 7.780 13.184 0.719 213 HD21 LEU 29 3HD2 LEU 29 9.646 14.253 -0.467 214 HD22 LEU 29 1HD2 LEU 29 10.434 13.336 -1.748 215 HD23 LEU 29 2HD2 LEU 29 11.082 13.294 -0.109 216 H ASP 30 H ASP 30 12.484 9.805 0.396 217 HA ASP 30 HA ASP 30 13.490 7.461 -1.028 218 HB2 ASP 30 2HB ASP 30 14.085 8.623 1.694 219 HB3 ASP 30 1HB ASP 30 14.831 7.150 1.079 220 H ALA 31 H ALA 31 12.800 5.422 -0.743 221 HA ALA 31 HA ALA 31 10.393 4.800 0.562 222 HB1 ALA 31 1HB ALA 31 11.236 2.397 0.290 223 HB2 ALA 31 2HB ALA 31 12.631 3.125 -0.512 224 HB3 ALA 31 3HB ALA 31 11.011 3.362 -1.167 225 H ALA 32 H ALA 32 13.748 4.580 1.666 226 HA ALA 32 HA ALA 32 13.284 3.011 3.951 227 HB1 ALA 32 1HB ALA 32 15.509 3.483 2.943 228 HB2 ALA 32 2HB ALA 32 15.451 3.786 4.679 229 HB3 ALA 32 3HB ALA 32 15.391 5.136 3.546 230 H THR 33 H THR 33 12.653 6.356 3.266 231 HA THR 33 HA THR 33 11.863 6.744 6.103 232 HB THR 33 HB THR 33 12.387 9.225 5.573 233 HG1 THR 33 1HG THR 33 12.999 8.106 3.289 234 HG21 THR 33 3HG2 THR 33 13.674 7.815 7.155 235 HG22 THR 33 1HG2 THR 33 14.746 8.883 6.248 236 HG23 THR 33 2HG2 THR 33 14.621 7.180 5.811 237 H ILE 34 H ILE 34 10.155 5.715 4.101 238 HA ILE 34 HA ILE 34 8.540 7.922 3.129 239 HB ILE 34 HB ILE 34 8.431 4.942 2.971 240 HG12 ILE 34 2HG1 ILE 34 9.366 6.514 1.250 241 HG13 ILE 34 1HG1 ILE 34 8.141 5.410 0.631 242 HG21 ILE 34 1HG2 ILE 34 6.185 5.128 3.696 243 HG22 ILE 34 2HG2 ILE 34 6.102 5.140 1.953 244 HG23 ILE 34 3HG2 ILE 34 5.954 6.658 2.842 245 HD11 ILE 34 3HD1 ILE 34 6.822 7.809 1.532 246 HD12 ILE 34 1HD1 ILE 34 6.983 7.201 -0.115 247 HD13 ILE 34 2HD1 ILE 34 8.205 8.267 0.560 248 H ALA 35 H ALA 35 7.502 5.208 5.142 249 HA ALA 35 HA ALA 35 6.781 6.519 7.443 250 HB1 ALA 35 1HB ALA 35 4.838 6.915 5.180 251 HB2 ALA 35 2HB ALA 35 5.293 8.040 6.466 252 HB3 ALA 35 3HB ALA 35 4.201 6.712 6.810 253 H THR 36 H THR 36 7.427 3.850 6.108 254 HA THR 36 HA THR 36 5.585 1.945 6.019 255 HB THR 36 HB THR 36 7.167 0.394 6.946 256 HG1 THR 36 1HG THR 36 7.856 1.183 8.802 257 HG21 THR 36 3HG2 THR 36 8.773 2.679 5.771 258 HG22 THR 36 1HG2 THR 36 7.762 1.611 4.797 259 HG23 THR 36 2HG2 THR 36 9.137 0.956 5.687 260 H ASP 37 H ASP 37 6.648 3.443 9.088 261 HA ASP 37 HA ASP 37 4.607 1.897 10.535 262 HB2 ASP 37 2HB ASP 37 5.727 2.934 12.526 263 HB3 ASP 37 1HB ASP 37 6.796 1.929 11.549 264 H LEU 38 H LEU 38 5.167 4.998 9.132 265 HA LEU 38 HA LEU 38 3.185 6.301 10.867 266 HB2 LEU 38 2HB LEU 38 5.178 7.256 8.852 267 HB3 LEU 38 1HB LEU 38 3.846 8.302 9.268 268 HG LEU 38 HG LEU 38 5.483 7.012 11.452 269 HD11 LEU 38 1HD1 LEU 38 6.211 9.570 9.999 270 HD12 LEU 38 2HD1 LEU 38 7.099 8.050 9.899 271 HD13 LEU 38 3HD1 LEU 38 7.017 8.921 11.430 272 HD21 LEU 38 3HD2 LEU 38 3.870 9.559 11.154 273 HD22 LEU 38 1HD2 LEU 38 4.905 9.236 12.546 274 HD23 LEU 38 2HD2 LEU 38 3.533 8.183 12.206 275 HA PRO 39 HA PRO 39 -0.070 5.913 7.917 276 HB2 PRO 39 2HB PRO 39 -1.461 8.248 8.330 277 HB3 PRO 39 1HB PRO 39 -1.491 6.882 9.463 278 HG2 PRO 39 2HG PRO 39 0.095 9.410 9.589 279 HG3 PRO 39 1HG PRO 39 -0.737 8.536 10.889 280 HD2 PRO 39 2HD PRO 39 1.953 8.356 10.501 281 HD3 PRO 39 1HD PRO 39 0.994 7.018 11.163 282 H LEU 40 H LEU 40 -1.172 7.183 6.092 283 HA LEU 40 HA LEU 40 0.845 8.209 4.320 284 HB2 LEU 40 2HB LEU 40 -0.886 8.284 2.660 285 HB3 LEU 40 1HB LEU 40 -1.164 6.828 3.610 286 HG LEU 40 HG LEU 40 -2.589 9.465 4.087 287 HD11 LEU 40 1HD1 LEU 40 -3.087 8.280 1.901 288 HD12 LEU 40 2HD1 LEU 40 -4.458 8.598 2.962 289 HD13 LEU 40 3HD1 LEU 40 -3.761 6.979 2.885 290 HD21 LEU 40 3HD2 LEU 40 -4.126 7.810 5.357 291 HD22 LEU 40 1HD2 LEU 40 -2.616 8.297 6.117 292 HD23 LEU 40 2HD2 LEU 40 -2.733 6.727 5.316 293 H THR 41 H THR 41 -1.382 9.556 6.558 294 HA THR 41 HA THR 41 -1.884 12.067 5.507 295 HB THR 41 HB THR 41 -1.264 11.665 8.429 296 HG1 THR 41 1HG THR 41 -2.543 9.928 7.674 297 HG21 THR 41 3HG2 THR 41 -1.879 13.931 7.576 298 HG22 THR 41 1HG2 THR 41 -3.074 13.281 8.700 299 HG23 THR 41 2HG2 THR 41 -3.392 13.256 6.965 300 H SER 42 H SER 42 1.038 10.819 7.052 301 HA SER 42 HA SER 42 2.431 13.059 7.693 302 HB2 SER 42 2HB SER 42 4.464 11.786 7.165 303 HB3 SER 42 1HB SER 42 3.278 10.728 7.929 304 HG SER 42 HG SER 42 3.317 9.586 6.179 305 H TYR 43 H TYR 43 1.625 11.932 4.464 306 HA TYR 43 HA TYR 43 3.468 13.654 3.082 307 HB2 TYR 43 2HB TYR 43 0.966 12.500 1.873 308 HB3 TYR 43 1HB TYR 43 2.525 12.772 1.122 309 HD1 TYR 43 1HD TYR 43 4.201 11.586 3.486 310 HD2 TYR 43 2HD TYR 43 0.782 10.173 1.286 311 HE1 TYR 43 1HE TYR 43 4.831 9.264 3.997 312 HE2 TYR 43 2HE TYR 43 1.431 7.841 1.805 313 HH TYR 43 HH TYR 43 3.124 6.536 2.588 314 H GLY 44 H GLY 44 0.790 14.331 4.855 315 HA2 GLY 44 2HA GLY 44 -0.520 16.196 5.085 316 HA3 GLY 44 1HA GLY 44 0.692 17.029 4.114 317 H LEU 45 H LEU 45 -0.837 14.240 2.753 318 HA LEU 45 HA LEU 45 -1.856 15.759 0.574 319 HB2 LEU 45 2HB LEU 45 -2.474 13.695 -0.350 320 HB3 LEU 45 1HB LEU 45 -1.030 13.338 0.578 321 HG LEU 45 HG LEU 45 -3.885 12.866 1.549 322 HD11 LEU 45 1HD1 LEU 45 -3.101 11.320 -0.258 323 HD12 LEU 45 2HD1 LEU 45 -3.433 10.526 1.282 324 HD13 LEU 45 3HD1 LEU 45 -1.767 10.845 0.794 325 HD21 LEU 45 3HD2 LEU 45 -2.496 13.322 3.441 326 HD22 LEU 45 1HD2 LEU 45 -1.155 12.415 2.761 327 HD23 LEU 45 2HD2 LEU 45 -2.590 11.575 3.336 328 H ASP 46 H ASP 46 -3.912 16.376 0.071 329 HA ASP 46 HA ASP 46 -5.774 16.701 2.217 330 HB2 ASP 46 2HB ASP 46 -5.976 17.159 -0.756 331 HB3 ASP 46 1HB ASP 46 -7.297 17.506 0.360 332 H SER 47 H SER 47 -8.176 16.076 1.775 333 HA SER 47 HA SER 47 -8.351 13.239 1.855 334 HB2 SER 47 2HB SER 47 -9.888 14.989 2.964 335 HB3 SER 47 1HB SER 47 -10.697 15.074 1.402 336 HG SER 47 HG SER 47 -11.729 13.394 2.160 337 H VAL 48 H VAL 48 -8.929 15.643 -0.636 338 HA VAL 48 HA VAL 48 -10.242 13.927 -2.487 339 HB VAL 48 HB VAL 48 -10.347 16.393 -2.624 340 HG11 VAL 48 1HG1 VAL 48 -8.441 17.676 -3.369 341 HG12 VAL 48 2HG1 VAL 48 -7.483 16.214 -3.598 342 HG13 VAL 48 3HG1 VAL 48 -7.933 16.728 -1.972 343 HG21 VAL 48 3HG2 VAL 48 -10.220 16.516 -5.018 344 HG22 VAL 48 1HG2 VAL 48 -10.651 14.849 -4.631 345 HG23 VAL 48 2HG2 VAL 48 -8.993 15.250 -5.081 346 H TYR 49 H TYR 49 -6.946 14.422 -1.609 347 HA TYR 49 HA TYR 49 -5.746 13.433 -3.993 348 HB2 TYR 49 2HB TYR 49 -4.768 14.643 -1.748 349 HB3 TYR 49 1HB TYR 49 -4.314 12.967 -1.428 350 HD1 TYR 49 2HD TYR 49 -4.377 15.312 -4.361 351 HD2 TYR 49 1HD TYR 49 -2.194 12.343 -2.166 352 HE1 TYR 49 2HE TYR 49 -2.489 15.519 -5.954 353 HE2 TYR 49 1HE TYR 49 -0.310 12.547 -3.741 354 HH TYR 49 HH TYR 49 -0.532 14.682 -6.593 355 H ALA 50 H ALA 50 -6.542 11.897 -0.882 356 HA ALA 50 HA ALA 50 -5.522 9.378 -1.282 357 HB1 ALA 50 1HB ALA 50 -6.731 10.235 0.770 358 HB2 ALA 50 2HB ALA 50 -7.134 8.583 0.304 359 HB3 ALA 50 3HB ALA 50 -8.242 9.902 -0.073 360 H LEU 51 H LEU 51 -8.483 10.761 -2.582 361 HA LEU 51 HA LEU 51 -9.613 8.406 -3.614 362 HB2 LEU 51 2HB LEU 51 -10.868 10.467 -3.525 363 HB3 LEU 51 1HB LEU 51 -9.735 11.253 -4.620 364 HG LEU 51 HG LEU 51 -10.883 8.732 -5.704 365 HD11 LEU 51 1HD1 LEU 51 -13.077 9.717 -6.227 366 HD12 LEU 51 2HD1 LEU 51 -12.669 11.143 -5.270 367 HD13 LEU 51 3HD1 LEU 51 -12.846 9.575 -4.484 368 HD21 LEU 51 3HD2 LEU 51 -9.482 10.469 -6.940 369 HD22 LEU 51 1HD2 LEU 51 -10.875 11.545 -6.842 370 HD23 LEU 51 2HD2 LEU 51 -10.996 10.027 -7.735 371 H SER 52 H SER 52 -7.476 10.781 -5.213 372 HA SER 52 HA SER 52 -7.256 9.318 -7.638 373 HB2 SER 52 2HB SER 52 -6.771 11.748 -7.405 374 HB3 SER 52 1HB SER 52 -5.327 11.336 -6.465 375 HG SER 52 HG SER 52 -5.914 10.533 -9.138 376 H ILE 53 H ILE 53 -5.101 9.643 -4.827 377 HA ILE 53 HA ILE 53 -3.099 7.898 -5.819 378 HB ILE 53 HB ILE 53 -3.775 8.509 -2.937 379 HG12 ILE 53 2HG1 ILE 53 -3.518 10.583 -4.199 380 HG13 ILE 53 1HG1 ILE 53 -2.098 10.317 -3.185 381 HG21 ILE 53 1HG2 ILE 53 -1.340 7.408 -4.338 382 HG22 ILE 53 2HG2 ILE 53 -2.197 6.751 -2.942 383 HG23 ILE 53 3HG2 ILE 53 -1.217 8.204 -2.768 384 HD11 ILE 53 3HD1 ILE 53 -2.376 10.110 -6.158 385 HD12 ILE 53 1HD1 ILE 53 -1.124 9.174 -5.343 386 HD13 ILE 53 2HD1 ILE 53 -1.140 10.927 -5.209 387 H ALA 54 H ALA 54 -5.564 7.319 -3.290 388 HA ALA 54 HA ALA 54 -5.083 4.639 -2.872 389 HB1 ALA 54 1HB ALA 54 -7.846 5.870 -2.976 390 HB2 ALA 54 2HB ALA 54 -6.731 6.078 -1.623 391 HB3 ALA 54 3HB ALA 54 -7.334 4.478 -2.031 392 H ALA 55 H ALA 55 -6.930 6.167 -5.473 393 HA ALA 55 HA ALA 55 -7.960 3.744 -6.577 394 HB1 ALA 55 1HB ALA 55 -7.501 6.479 -7.758 395 HB2 ALA 55 2HB ALA 55 -9.019 5.796 -7.176 396 HB3 ALA 55 3HB ALA 55 -8.268 5.157 -8.639 397 H GLU 56 H GLU 56 -5.080 5.687 -7.241 398 HA GLU 56 HA GLU 56 -4.162 4.167 -9.456 399 HB2 GLU 56 2HB GLU 56 -2.762 5.966 -7.484 400 HB3 GLU 56 1HB GLU 56 -1.881 5.149 -8.775 401 HG2 GLU 56 2HG GLU 56 -3.322 6.197 -10.454 402 HG3 GLU 56 1HG GLU 56 -4.274 6.963 -9.188 403 H LEU 57 H LEU 57 -3.370 3.952 -5.993 404 HA LEU 57 HA LEU 57 -1.470 1.869 -6.190 405 HB2 LEU 57 2HB LEU 57 -3.227 2.965 -4.016 406 HB3 LEU 57 1HB LEU 57 -2.367 1.460 -3.715 407 HG LEU 57 HG LEU 57 -0.240 2.611 -4.347 408 HD11 LEU 57 1HD1 LEU 57 -2.048 5.008 -4.440 409 HD12 LEU 57 2HD1 LEU 57 -1.119 4.350 -5.780 410 HD13 LEU 57 3HD1 LEU 57 -0.305 5.098 -4.411 411 HD21 LEU 57 3HD2 LEU 57 -1.936 3.719 -2.105 412 HD22 LEU 57 1HD2 LEU 57 -0.237 4.147 -2.296 413 HD23 LEU 57 2HD2 LEU 57 -0.696 2.469 -2.011 414 H GLU 58 H GLU 58 -4.948 1.733 -5.481 415 HA GLU 58 HA GLU 58 -4.978 -1.134 -5.415 416 HB2 GLU 58 2HB GLU 58 -7.425 -0.881 -5.337 417 HB3 GLU 58 1HB GLU 58 -6.613 0.174 -4.207 418 HG2 GLU 58 2HG GLU 58 -7.945 1.801 -5.131 419 HG3 GLU 58 1HG GLU 58 -6.714 1.812 -6.370 420 H ASP 59 H ASP 59 -5.746 1.296 -7.874 421 HA ASP 59 HA ASP 59 -6.855 -0.406 -9.807 422 HB2 ASP 59 2HB ASP 59 -7.012 1.985 -10.081 423 HB3 ASP 59 1HB ASP 59 -5.253 2.141 -10.127 424 H HIS 60 H HIS 60 -3.616 0.032 -8.735 425 HA HIS 60 HA HIS 60 -2.329 -1.072 -11.056 426 HB2 HIS 60 2HB HIS 60 -1.488 -0.351 -8.272 427 HB3 HIS 60 1HB HIS 60 -0.457 -1.469 -9.155 428 HD1 HIS 60 1HD HIS 60 -0.315 -0.473 -11.927 429 HD2 HIS 60 2HD HIS 60 -0.546 2.224 -8.756 430 HE1 HIS 60 1HE HIS 60 0.563 1.736 -12.800 431 HE2 HIS 60 2HE HIS 60 0.428 3.389 -10.881 432 H LEU 61 H LEU 61 -3.519 -2.407 -8.010 433 HA LEU 61 HA LEU 61 -2.563 -5.084 -8.752 434 HB2 LEU 61 2HB LEU 61 -3.515 -3.804 -6.187 435 HB3 LEU 61 1HB LEU 61 -3.322 -5.544 -6.347 436 HG LEU 61 HG LEU 61 -0.994 -5.412 -6.600 437 HD11 LEU 61 1HD1 LEU 61 0.195 -3.192 -7.016 438 HD12 LEU 61 2HD1 LEU 61 -1.380 -2.514 -7.385 439 HD13 LEU 61 3HD1 LEU 61 -0.712 -3.813 -8.381 440 HD21 LEU 61 3HD2 LEU 61 -1.335 -2.898 -5.000 441 HD22 LEU 61 1HD2 LEU 61 -0.224 -4.248 -4.726 442 HD23 LEU 61 2HD2 LEU 61 -1.943 -4.438 -4.368 443 H ASP 62 H ASP 62 -4.913 -3.669 -9.982 444 HA ASP 62 HA ASP 62 -7.113 -4.095 -10.482 445 HB2 ASP 62 2HB ASP 62 -5.882 -6.819 -10.145 446 HB3 ASP 62 1HB ASP 62 -7.522 -6.584 -10.737 447 H VAL 63 H VAL 63 -7.335 -3.185 -8.099 448 HA VAL 63 HA VAL 63 -9.316 -4.901 -6.811 449 HB VAL 63 HB VAL 63 -8.155 -4.329 -4.538 450 HG11 VAL 63 1HG1 VAL 63 -8.343 -6.609 -5.579 451 HG12 VAL 63 2HG1 VAL 63 -6.876 -6.375 -4.630 452 HG13 VAL 63 3HG1 VAL 63 -6.807 -6.303 -6.390 453 HG21 VAL 63 3HG2 VAL 63 -5.831 -3.890 -4.595 454 HG22 VAL 63 1HG2 VAL 63 -6.486 -2.835 -5.838 455 HG23 VAL 63 2HG2 VAL 63 -5.707 -4.334 -6.298 456 H SER 64 H SER 64 -10.586 -3.725 -5.208 457 HA SER 64 HA SER 64 -10.546 -0.788 -5.640 458 HB2 SER 64 2HB SER 64 -12.493 -1.869 -6.700 459 HB3 SER 64 1HB SER 64 -12.928 -2.595 -5.155 460 HG SER 64 HG SER 64 -13.988 -0.549 -5.700 461 H LEU 65 H LEU 65 -10.872 0.514 -3.867 462 HA LEU 65 HA LEU 65 -10.673 -0.824 -1.224 463 HB2 LEU 65 2HB LEU 65 -9.902 2.037 -1.801 464 HB3 LEU 65 1HB LEU 65 -9.406 1.008 -0.457 465 HG LEU 65 HG LEU 65 -8.666 0.595 -3.348 466 HD11 LEU 65 1HD1 LEU 65 -7.348 1.981 -1.053 467 HD12 LEU 65 2HD1 LEU 65 -7.240 2.304 -2.783 468 HD13 LEU 65 3HD1 LEU 65 -6.307 0.991 -2.076 469 HD21 LEU 65 3HD2 LEU 65 -8.072 -0.936 -0.820 470 HD22 LEU 65 1HD2 LEU 65 -7.051 -1.069 -2.252 471 HD23 LEU 65 2HD2 LEU 65 -8.744 -1.546 -2.330 472 H ASP 66 H ASP 66 -11.756 0.184 0.564 473 HA ASP 66 HA ASP 66 -14.279 1.374 -0.301 474 HB2 ASP 66 2HB ASP 66 -13.481 -0.444 1.819 475 HB3 ASP 66 1HB ASP 66 -14.439 0.890 2.466 476 HA PRO 67 HA PRO 67 -13.356 5.504 0.997 477 HB2 PRO 67 2HB PRO 67 -15.942 5.425 2.508 478 HB3 PRO 67 1HB PRO 67 -15.372 6.602 1.312 479 HG2 PRO 67 2HG PRO 67 -17.211 4.732 0.724 480 HG3 PRO 67 1HG PRO 67 -16.034 5.314 -0.467 481 HD2 PRO 67 2HD PRO 67 -16.130 2.691 0.951 482 HD3 PRO 67 1HD PRO 67 -15.420 3.123 -0.623 483 H THR 68 H THR 68 -15.253 4.213 3.722 484 HA THR 68 HA THR 68 -13.652 5.423 5.708 485 HB THR 68 HB THR 68 -15.965 4.803 6.146 486 HG1 THR 68 1HG THR 68 -14.492 3.043 7.748 487 HG21 THR 68 3HG2 THR 68 -16.677 2.494 6.257 488 HG22 THR 68 1HG2 THR 68 -15.032 1.926 5.974 489 HG23 THR 68 2HG2 THR 68 -15.913 2.752 4.689 490 H LEU 69 H LEU 69 -13.232 2.579 3.878 491 HA LEU 69 HA LEU 69 -11.655 1.119 5.780 492 HB2 LEU 69 2HB LEU 69 -12.818 0.025 3.925 493 HB3 LEU 69 1HB LEU 69 -11.784 0.854 2.766 494 HG LEU 69 HG LEU 69 -10.635 -0.841 4.992 495 HD11 LEU 69 1HD1 LEU 69 -12.243 -2.201 3.699 496 HD12 LEU 69 2HD1 LEU 69 -10.581 -2.740 3.466 497 HD13 LEU 69 3HD1 LEU 69 -11.382 -1.790 2.215 498 HD21 LEU 69 3HD2 LEU 69 -8.992 -1.059 2.742 499 HD22 LEU 69 1HD2 LEU 69 -8.716 0.024 4.106 500 HD23 LEU 69 2HD2 LEU 69 -9.537 0.613 2.656 501 H ILE 70 H ILE 70 -10.913 3.304 3.082 502 HA ILE 70 HA ILE 70 -8.148 3.020 3.019 503 HB ILE 70 HB ILE 70 -9.881 5.449 2.510 504 HG12 ILE 70 2HG1 ILE 70 -8.429 3.697 0.515 505 HG13 ILE 70 1HG1 ILE 70 -10.041 3.290 1.084 506 HG21 ILE 70 1HG2 ILE 70 -7.816 6.193 1.186 507 HG22 ILE 70 2HG2 ILE 70 -6.924 4.974 2.096 508 HG23 ILE 70 3HG2 ILE 70 -7.697 6.315 2.942 509 HD11 ILE 70 3HD1 ILE 70 -9.400 6.021 -0.028 510 HD12 ILE 70 1HD1 ILE 70 -10.984 5.274 0.187 511 HD13 ILE 70 2HD1 ILE 70 -9.895 4.686 -1.069 512 H TRP 71 H TRP 71 -10.188 4.901 5.186 513 HA TRP 71 HA TRP 71 -7.917 6.124 6.522 514 HB2 TRP 71 2HB TRP 71 -10.894 6.147 7.034 515 HB3 TRP 71 1HB TRP 71 -9.737 6.928 8.111 516 HD1 TRP 71 HD TRP 71 -11.752 7.582 5.124 517 HE1 TRP 71 1HE TRP 71 -10.966 9.732 3.932 518 HE3 TRP 71 3HE TRP 71 -7.267 8.312 7.470 519 HZ2 TRP 71 2HZ TRP 71 -8.725 11.518 3.966 520 HZ3 TRP 71 3HZ TRP 71 -5.835 10.236 6.870 521 HH2 TRP 71 HH TRP 71 -6.555 11.839 5.126 522 H ASP 72 H ASP 72 -9.349 3.111 6.583 523 HA ASP 72 HA ASP 72 -9.055 2.611 9.435 524 HB2 ASP 72 2HB ASP 72 -10.835 1.543 7.986 525 HB3 ASP 72 1HB ASP 72 -9.548 0.577 7.254 526 H HIS 73 H HIS 73 -7.356 1.922 6.433 527 HA HIS 73 HA HIS 73 -5.073 0.847 8.004 528 HB2 HIS 73 2HB HIS 73 -5.704 0.136 5.137 529 HB3 HIS 73 1HB HIS 73 -4.590 -0.673 6.244 530 HD1 HIS 73 1HD HIS 73 -6.645 -0.639 8.699 531 HD2 HIS 73 2HD HIS 73 -7.432 -2.058 4.860 532 HE1 HIS 73 1HE HIS 73 -8.580 -2.261 8.915 533 HE2 HIS 73 2HE HIS 73 -9.061 -3.145 6.584 534 HA PRO 74 HA PRO 74 -3.895 4.638 5.439 535 HB2 PRO 74 2HB PRO 74 -3.229 6.299 7.515 536 HB3 PRO 74 1HB PRO 74 -4.876 6.172 6.869 537 HG2 PRO 74 2HG PRO 74 -3.695 4.898 9.296 538 HG3 PRO 74 1HG PRO 74 -5.281 5.668 9.086 539 HD2 PRO 74 2HD PRO 74 -4.953 2.952 9.023 540 HD3 PRO 74 1HD PRO 74 -6.205 3.802 8.096 541 H THR 75 H THR 75 -2.546 2.394 7.450 542 HA THR 75 HA THR 75 0.214 3.445 7.105 543 HB THR 75 HB THR 75 0.726 1.727 8.960 544 HG1 THR 75 1HG THR 75 -0.967 0.602 9.453 545 HG21 THR 75 3HG2 THR 75 0.864 4.038 9.494 546 HG22 THR 75 1HG2 THR 75 -0.195 3.342 10.722 547 HG23 THR 75 2HG2 THR 75 -0.885 4.247 9.374 548 H ILE 76 H ILE 76 1.847 1.967 6.540 549 HA ILE 76 HA ILE 76 1.126 0.182 4.467 550 HB ILE 76 HB ILE 76 3.758 0.282 5.960 551 HG12 ILE 76 2HG1 ILE 76 3.264 2.532 5.237 552 HG13 ILE 76 1HG1 ILE 76 4.419 1.864 4.088 553 HG21 ILE 76 1HG2 ILE 76 4.502 -0.342 3.492 554 HG22 ILE 76 2HG2 ILE 76 2.847 -0.926 3.361 555 HG23 ILE 76 3HG2 ILE 76 3.918 -1.600 4.581 556 HD11 ILE 76 3HD1 ILE 76 2.852 2.853 2.689 557 HD12 ILE 76 1HD1 ILE 76 1.491 2.394 3.716 558 HD13 ILE 76 2HD1 ILE 76 2.306 1.182 2.736 559 H ASP 77 H ASP 77 2.126 -0.335 7.815 560 HA ASP 77 HA ASP 77 2.322 -3.115 7.778 561 HB2 ASP 77 2HB ASP 77 1.660 -1.078 9.878 562 HB3 ASP 77 1HB ASP 77 1.515 -2.784 10.275 563 H ALA 78 H ALA 78 -0.535 -1.031 8.248 564 HA ALA 78 HA ALA 78 -2.314 -3.216 8.709 565 HB1 ALA 78 1HB ALA 78 -4.075 -1.512 8.429 566 HB2 ALA 78 2HB ALA 78 -2.870 -0.366 7.842 567 HB3 ALA 78 3HB ALA 78 -2.799 -0.942 9.506 568 H LEU 79 H LEU 79 -1.627 -1.126 5.910 569 HA LEU 79 HA LEU 79 -3.498 -2.324 4.210 570 HB2 LEU 79 2HB LEU 79 -1.882 -0.172 3.980 571 HB3 LEU 79 1HB LEU 79 -0.962 -1.306 3.012 572 HG LEU 79 HG LEU 79 -2.431 -0.190 1.499 573 HD11 LEU 79 1HD1 LEU 79 -3.986 -2.723 2.021 574 HD12 LEU 79 2HD1 LEU 79 -2.340 -2.790 1.428 575 HD13 LEU 79 3HD1 LEU 79 -3.570 -1.973 0.481 576 HD21 LEU 79 3HD2 LEU 79 -4.025 0.426 3.553 577 HD22 LEU 79 1HD2 LEU 79 -4.922 -0.984 2.998 578 HD23 LEU 79 2HD2 LEU 79 -4.660 0.378 1.915 579 H SER 80 H SER 80 -0.073 -2.997 4.733 580 HA SER 80 HA SER 80 0.223 -4.987 2.761 581 HB2 SER 80 2HB SER 80 1.681 -4.611 5.384 582 HB3 SER 80 1HB SER 80 2.186 -5.715 4.107 583 HG SER 80 HG SER 80 3.104 -3.487 4.151 584 H THR 81 H THR 81 -0.584 -5.202 6.214 585 HA THR 81 HA THR 81 -0.766 -8.003 6.379 586 HB THR 81 HB THR 81 -2.284 -5.892 7.926 587 HG1 THR 81 1HG THR 81 0.183 -6.185 7.866 588 HG21 THR 81 3HG2 THR 81 -1.917 -8.863 8.315 589 HG22 THR 81 1HG2 THR 81 -3.425 -7.950 8.269 590 HG23 THR 81 2HG2 THR 81 -2.338 -7.789 9.648 591 H ALA 82 H ALA 82 -3.193 -5.554 5.549 592 HA ALA 82 HA ALA 82 -5.355 -7.379 5.292 593 HB1 ALA 82 1HB ALA 82 -5.776 -5.010 5.611 594 HB2 ALA 82 2HB ALA 82 -6.451 -5.514 4.062 595 HB3 ALA 82 3HB ALA 82 -4.928 -4.625 4.112 596 H LEU 83 H LEU 83 -2.956 -6.072 3.012 597 HA LEU 83 HA LEU 83 -4.141 -7.017 0.653 598 HB2 LEU 83 2HB LEU 83 -2.032 -5.439 1.128 599 HB3 LEU 83 1HB LEU 83 -1.142 -6.942 0.870 600 HG LEU 83 HG LEU 83 -3.154 -5.715 -1.039 601 HD11 LEU 83 1HD1 LEU 83 -1.251 -4.403 -1.281 602 HD12 LEU 83 2HD1 LEU 83 -0.916 -5.685 -2.441 603 HD13 LEU 83 3HD1 LEU 83 -0.156 -5.711 -0.851 604 HD21 LEU 83 3HD2 LEU 83 -1.630 -8.321 -1.004 605 HD22 LEU 83 1HD2 LEU 83 -2.054 -7.566 -2.542 606 HD23 LEU 83 2HD2 LEU 83 -3.326 -8.032 -1.411 607 H VAL 84 H VAL 84 -1.697 -8.526 2.773 608 HA VAL 84 HA VAL 84 -1.508 -10.908 1.216 609 HB VAL 84 HB VAL 84 0.278 -10.176 2.748 610 HG11 VAL 84 1HG1 VAL 84 -1.697 -10.872 4.938 611 HG12 VAL 84 2HG1 VAL 84 -1.184 -9.250 4.487 612 HG13 VAL 84 3HG1 VAL 84 -0.019 -10.376 5.167 613 HG21 VAL 84 3HG2 VAL 84 -1.003 -12.845 3.422 614 HG22 VAL 84 1HG2 VAL 84 0.604 -12.375 3.925 615 HG23 VAL 84 2HG2 VAL 84 0.238 -12.537 2.207 616 H ALA 85 H ALA 85 -3.681 -9.766 3.668 617 HA ALA 85 HA ALA 85 -4.696 -12.335 4.412 618 HB1 ALA 85 1HB ALA 85 -5.971 -9.627 4.846 619 HB2 ALA 85 2HB ALA 85 -4.733 -10.309 5.902 620 HB3 ALA 85 3HB ALA 85 -6.291 -11.118 5.732 621 H GLU 86 H GLU 86 -5.275 -10.043 1.876 622 HA GLU 86 HA GLU 86 -7.872 -10.300 1.161 623 HB2 GLU 86 2HB GLU 86 -5.392 -10.424 -0.566 624 HB3 GLU 86 1HB GLU 86 -7.013 -10.411 -1.264 625 HG2 GLU 86 2HG GLU 86 -6.025 -8.340 0.692 626 HG3 GLU 86 1HG GLU 86 -5.932 -8.138 -1.051 627 H LEU 87 H LEU 87 -5.343 -12.743 0.371 628 HA LEU 87 HA LEU 87 -7.526 -14.661 -0.225 629 HB2 LEU 87 2HB LEU 87 -5.427 -16.000 -1.053 630 HB3 LEU 87 1HB LEU 87 -6.038 -14.674 -2.033 631 HG LEU 87 HG LEU 87 -4.043 -13.829 0.004 632 HD11 LEU 87 1HD1 LEU 87 -3.044 -15.960 -0.561 633 HD12 LEU 87 2HD1 LEU 87 -2.129 -14.669 -1.341 634 HD13 LEU 87 3HD1 LEU 87 -3.262 -15.645 -2.279 635 HD21 LEU 87 3HD2 LEU 87 -4.171 -13.430 -2.994 636 HD22 LEU 87 1HD2 LEU 87 -3.267 -12.459 -1.829 637 HD23 LEU 87 2HD2 LEU 87 -5.030 -12.420 -1.833 638 H ARG 88 H ARG 88 -4.222 -15.016 1.083 639 HA ARG 88 HA ARG 88 -4.580 -17.219 2.613 640 HB2 ARG 88 2HB ARG 88 -2.370 -16.493 2.596 641 HB3 ARG 88 1HB ARG 88 -2.814 -14.820 2.910 642 HG2 ARG 88 2HG ARG 88 -3.199 -15.227 5.210 643 HG3 ARG 88 1HG ARG 88 -3.218 -16.978 4.979 644 HD2 ARG 88 2HD ARG 88 -0.803 -15.240 4.475 645 HD3 ARG 88 1HD ARG 88 -1.122 -16.060 5.990 646 HE ARG 88 HE ARG 88 -0.137 -17.273 3.593 647 HH11 ARG 88 1HH2 ARG 88 -2.100 -17.749 6.412 648 HH12 ARG 88 2HH2 ARG 88 -1.868 -19.465 6.450 649 HH21 ARG 88 1HH1 ARG 88 0.164 -19.523 3.641 650 HH22 ARG 88 2HH1 ARG 88 -0.587 -20.468 4.882 651 H SER 89 H SER 89 -5.913 -17.745 4.212 652 HA SER 89 HA SER 89 -6.391 -16.091 6.460 653 HB2 SER 89 2HB SER 89 -7.807 -14.886 4.822 654 HB3 SER 89 1HB SER 89 -8.701 -16.375 4.528 655 HG SER 89 HG SER 89 -9.403 -16.345 6.633 656 H ALA 90 H ALA 90 -5.634 -18.815 5.771 657 HA ALA 90 HA ALA 90 -7.166 -20.213 7.709 658 HB1 ALA 90 1HB ALA 90 -8.898 -20.381 6.072 659 HB2 ALA 90 2HB ALA 90 -8.090 -21.948 6.107 660 HB3 ALA 90 3HB ALA 90 -7.748 -20.809 4.805 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 12.619 -20.052 -11.189 2 H2 GLY 1 2HT GLY 1 14.103 -19.775 -10.412 3 H3 GLY 1 3HT GLY 1 13.220 -21.188 -10.083 4 HA2 GLY 1 2HA GLY 1 15.147 -21.561 -11.568 5 HA3 GLY 1 1HA GLY 1 13.597 -22.036 -12.265 6 H HIS 2 H HIS 2 12.766 -20.912 -14.004 7 HA HIS 2 HA HIS 2 14.655 -19.335 -15.519 8 HB2 HIS 2 2HB HIS 2 11.760 -19.977 -16.132 9 HB3 HIS 2 1HB HIS 2 12.966 -19.373 -17.268 10 HD1 HIS 2 1HD HIS 2 11.915 -22.459 -15.424 11 HD2 HIS 2 2HD HIS 2 14.910 -21.309 -18.084 12 HE1 HIS 2 1HE HIS 2 13.030 -24.592 -16.212 13 HE2 HIS 2 2HE HIS 2 14.859 -23.907 -17.836 14 H MET 3 H MET 3 14.507 -17.798 -13.473 15 HA MET 3 HA MET 3 13.845 -15.776 -12.581 16 HB2 MET 3 2HB MET 3 14.794 -15.177 -14.859 17 HB3 MET 3 1HB MET 3 13.130 -15.114 -15.441 18 HG2 MET 3 2HG MET 3 13.738 -12.872 -14.814 19 HG3 MET 3 1HG MET 3 12.643 -13.475 -13.570 20 HE1 MET 3 3HE MET 3 15.358 -11.118 -11.898 21 HE2 MET 3 1HE MET 3 13.757 -11.197 -12.649 22 HE3 MET 3 2HE MET 3 15.203 -11.104 -13.653 23 H SER 4 H SER 4 12.061 -16.177 -11.330 24 HA SER 4 HA SER 4 9.412 -15.778 -12.615 25 HB2 SER 4 2HB SER 4 9.619 -18.104 -11.945 26 HB3 SER 4 1HB SER 4 10.139 -17.629 -10.330 27 HG SER 4 HG SER 4 7.758 -18.122 -10.904 28 H ASP 5 H ASP 5 8.438 -14.006 -11.931 29 HA ASP 5 HA ASP 5 9.443 -12.442 -9.766 30 HB2 ASP 5 2HB ASP 5 6.896 -12.256 -11.390 31 HB3 ASP 5 1HB ASP 5 7.383 -11.061 -10.189 32 H LEU 6 H LEU 6 6.103 -13.589 -10.139 33 HA LEU 6 HA LEU 6 6.121 -14.525 -7.333 34 HB2 LEU 6 2HB LEU 6 3.661 -13.470 -7.382 35 HB3 LEU 6 1HB LEU 6 5.063 -12.499 -6.935 36 HG LEU 6 HG LEU 6 5.247 -11.682 -9.251 37 HD11 LEU 6 1HD1 LEU 6 3.067 -12.205 -10.659 38 HD12 LEU 6 2HD1 LEU 6 2.998 -13.647 -9.642 39 HD13 LEU 6 3HD1 LEU 6 4.408 -13.348 -10.657 40 HD21 LEU 6 3HD2 LEU 6 3.454 -10.158 -9.115 41 HD22 LEU 6 1HD2 LEU 6 3.712 -10.651 -7.441 42 HD23 LEU 6 2HD2 LEU 6 2.381 -11.344 -8.370 43 H SER 7 H SER 7 5.303 -15.005 -10.576 44 HA SER 7 HA SER 7 3.907 -16.495 -11.674 45 HB2 SER 7 2HB SER 7 5.765 -17.895 -10.819 46 HB3 SER 7 1HB SER 7 4.819 -18.231 -9.373 47 HG SER 7 HG SER 7 4.480 -19.101 -12.002 48 H THR 8 H THR 8 2.080 -15.057 -10.771 49 HA THR 8 HA THR 8 0.002 -14.830 -9.839 50 HB THR 8 HB THR 8 -0.256 -17.825 -9.924 51 HG1 THR 8 1HG THR 8 -0.709 -16.476 -12.264 52 HG21 THR 8 3HG2 THR 8 -2.494 -17.250 -10.766 53 HG22 THR 8 1HG2 THR 8 -2.070 -15.540 -10.750 54 HG23 THR 8 2HG2 THR 8 -2.183 -16.434 -9.235 55 H ALA 9 H ALA 9 2.456 -15.976 -8.157 56 HA ALA 9 HA ALA 9 0.852 -16.403 -5.696 57 HB1 ALA 9 1HB ALA 9 1.743 -18.526 -6.128 58 HB2 ALA 9 2HB ALA 9 2.876 -17.822 -4.974 59 HB3 ALA 9 3HB ALA 9 3.279 -17.873 -6.692 60 HA PRO 10 HA PRO 10 3.632 -12.742 -5.137 61 HB2 PRO 10 2HB PRO 10 1.299 -11.802 -3.551 62 HB3 PRO 10 1HB PRO 10 2.171 -10.977 -4.860 63 HG2 PRO 10 2HG PRO 10 -0.300 -11.954 -5.203 64 HG3 PRO 10 1HG PRO 10 0.905 -11.975 -6.505 65 HD2 PRO 10 2HD PRO 10 0.031 -14.225 -4.711 66 HD3 PRO 10 1HD PRO 10 0.378 -14.238 -6.450 67 H THR 11 H THR 11 4.702 -12.064 -3.199 68 HA THR 11 HA THR 11 4.163 -13.757 -0.816 69 HB THR 11 HB THR 11 6.853 -12.659 -1.649 70 HG1 THR 11 1HG THR 11 5.430 -14.659 -2.713 71 HG21 THR 11 3HG2 THR 11 6.566 -13.235 0.723 72 HG22 THR 11 1HG2 THR 11 7.656 -14.372 -0.068 73 HG23 THR 11 2HG2 THR 11 5.989 -14.837 0.268 74 H LEU 12 H LEU 12 4.533 -12.810 1.209 75 HA LEU 12 HA LEU 12 3.491 -10.312 1.651 76 HB2 LEU 12 2HB LEU 12 5.451 -11.965 3.238 77 HB3 LEU 12 1HB LEU 12 4.918 -10.394 3.830 78 HG LEU 12 HG LEU 12 2.555 -11.162 3.593 79 HD11 LEU 12 1HD1 LEU 12 2.331 -13.734 3.460 80 HD12 LEU 12 2HD1 LEU 12 3.976 -13.724 2.830 81 HD13 LEU 12 3HD1 LEU 12 2.697 -12.891 1.955 82 HD21 LEU 12 3HD2 LEU 12 2.647 -12.745 5.542 83 HD22 LEU 12 1HD2 LEU 12 3.620 -11.293 5.776 84 HD23 LEU 12 2HD2 LEU 12 4.399 -12.817 5.346 85 H ASP 13 H ASP 13 6.865 -11.152 1.074 86 HA ASP 13 HA ASP 13 7.940 -8.578 1.596 87 HB2 ASP 13 2HB ASP 13 9.142 -10.476 -0.393 88 HB3 ASP 13 1HB ASP 13 9.949 -9.364 0.708 89 H SER 14 H SER 14 6.692 -10.113 -1.381 90 HA SER 14 HA SER 14 7.528 -8.070 -3.143 91 HB2 SER 14 2HB SER 14 5.890 -9.039 -4.668 92 HB3 SER 14 1HB SER 14 6.912 -10.266 -3.934 93 HG SER 14 HG SER 14 4.395 -10.398 -3.980 94 H LEU 15 H LEU 15 4.557 -8.538 -1.248 95 HA LEU 15 HA LEU 15 3.247 -6.275 -2.377 96 HB2 LEU 15 2HB LEU 15 2.761 -8.021 0.028 97 HB3 LEU 15 1HB LEU 15 1.776 -6.586 -0.233 98 HG LEU 15 HG LEU 15 0.934 -7.416 -2.288 99 HD11 LEU 15 1HD1 LEU 15 1.781 -9.632 -3.175 100 HD12 LEU 15 2HD1 LEU 15 3.128 -9.469 -2.069 101 HD13 LEU 15 3HD1 LEU 15 2.906 -8.293 -3.361 102 HD21 LEU 15 3HD2 LEU 15 1.229 -9.818 -0.471 103 HD22 LEU 15 1HD2 LEU 15 -0.067 -9.526 -1.629 104 HD23 LEU 15 2HD2 LEU 15 0.083 -8.509 -0.192 105 H ARG 16 H ARG 16 4.310 -6.785 0.952 106 HA ARG 16 HA ARG 16 4.196 -4.318 2.004 107 HB2 ARG 16 2HB ARG 16 5.153 -6.158 3.244 108 HB3 ARG 16 1HB ARG 16 6.564 -6.175 2.187 109 HG2 ARG 16 2HG ARG 16 6.015 -3.531 3.447 110 HG3 ARG 16 1HG ARG 16 6.459 -4.802 4.583 111 HD2 ARG 16 2HD ARG 16 8.462 -5.290 3.114 112 HD3 ARG 16 1HD ARG 16 8.056 -3.854 2.187 113 HE ARG 16 HE ARG 16 8.230 -3.274 4.974 114 HH11 ARG 16 1HH2 ARG 16 10.029 -3.907 2.088 115 HH12 ARG 16 2HH2 ARG 16 11.416 -3.000 2.589 116 HH21 ARG 16 1HH1 ARG 16 10.040 -2.086 5.640 117 HH22 ARG 16 2HH1 ARG 16 11.423 -1.967 4.603 118 H VAL 17 H VAL 17 7.009 -5.393 0.048 119 HA VAL 17 HA VAL 17 8.337 -2.921 -0.030 120 HB VAL 17 HB VAL 17 9.553 -3.842 -1.940 121 HG11 VAL 17 1HG1 VAL 17 8.944 -5.569 0.454 122 HG12 VAL 17 2HG1 VAL 17 10.465 -4.835 -0.040 123 HG13 VAL 17 3HG1 VAL 17 9.897 -6.299 -0.848 124 HG21 VAL 17 3HG2 VAL 17 7.221 -5.693 -1.957 125 HG22 VAL 17 1HG2 VAL 17 8.730 -6.193 -2.690 126 HG23 VAL 17 2HG2 VAL 17 7.869 -4.777 -3.306 127 H TRP 18 H TRP 18 5.811 -4.308 -2.118 128 HA TRP 18 HA TRP 18 5.862 -2.372 -4.145 129 HB2 TRP 18 2HB TRP 18 4.122 -3.616 -4.929 130 HB3 TRP 18 1HB TRP 18 4.248 -4.570 -3.462 131 HD1 TRP 18 HD TRP 18 2.253 -4.398 -1.750 132 HE1 TRP 18 1HE TRP 18 0.170 -2.997 -1.572 133 HE3 TRP 18 3HE TRP 18 3.065 -1.109 -5.589 134 HZ2 TRP 18 2HZ TRP 18 -1.040 -0.805 -2.846 135 HZ3 TRP 18 3HZ TRP 18 1.389 0.616 -6.065 136 HH2 TRP 18 HH TRP 18 -0.658 0.755 -4.683 137 H LEU 19 H LEU 19 3.931 -2.438 -1.149 138 HA LEU 19 HA LEU 19 2.530 -0.056 -1.521 139 HB2 LEU 19 2HB LEU 19 3.207 -1.841 0.703 140 HB3 LEU 19 1HB LEU 19 3.009 -0.175 1.224 141 HG LEU 19 HG LEU 19 0.893 -1.169 -0.633 142 HD11 LEU 19 1HD1 LEU 19 -0.279 -2.386 1.058 143 HD12 LEU 19 2HD1 LEU 19 1.034 -2.163 2.206 144 HD13 LEU 19 3HD1 LEU 19 1.275 -3.145 0.754 145 HD21 LEU 19 3HD2 LEU 19 1.104 1.085 0.673 146 HD22 LEU 19 1HD2 LEU 19 0.515 0.151 2.049 147 HD23 LEU 19 2HD2 LEU 19 -0.459 0.288 0.587 148 H VAL 20 H VAL 20 5.444 -0.425 0.560 149 HA VAL 20 HA VAL 20 5.836 2.300 0.942 150 HB VAL 20 HB VAL 20 7.008 0.629 2.257 151 HG11 VAL 20 1HG1 VAL 20 8.572 -0.911 1.357 152 HG12 VAL 20 2HG1 VAL 20 8.664 -0.050 -0.180 153 HG13 VAL 20 3HG1 VAL 20 7.212 -0.949 0.243 154 HG21 VAL 20 3HG2 VAL 20 9.074 2.054 0.575 155 HG22 VAL 20 1HG2 VAL 20 9.187 1.620 2.281 156 HG23 VAL 20 2HG2 VAL 20 8.076 2.889 1.765 157 H ASP 21 H ASP 21 7.268 0.166 -1.531 158 HA ASP 21 HA ASP 21 8.815 2.090 -2.804 159 HB2 ASP 21 2HB ASP 21 9.008 -0.282 -3.340 160 HB3 ASP 21 1HB ASP 21 7.364 -0.297 -3.976 161 H CYS 22 H CYS 22 5.382 1.395 -3.070 162 HA CYS 22 HA CYS 22 4.836 2.915 -5.380 163 HB2 CYS 22 2HB CYS 22 2.734 2.147 -4.973 164 HB3 CYS 22 1HB CYS 22 3.340 1.419 -3.500 165 HG CYS 22 HG CYS 22 1.654 2.938 -2.465 166 H VAL 23 H VAL 23 4.737 3.756 -1.917 167 HA VAL 23 HA VAL 23 3.918 6.437 -2.315 168 HB VAL 23 HB VAL 23 5.584 5.379 -0.056 169 HG11 VAL 23 1HG1 VAL 23 4.916 7.256 1.139 170 HG12 VAL 23 2HG1 VAL 23 3.402 7.420 0.264 171 HG13 VAL 23 3HG1 VAL 23 4.910 7.947 -0.474 172 HG21 VAL 23 3HG2 VAL 23 2.615 5.183 -0.571 173 HG22 VAL 23 1HG2 VAL 23 3.311 5.013 1.043 174 HG23 VAL 23 2HG2 VAL 23 3.742 3.870 -0.233 175 H ALA 24 H ALA 24 7.178 5.059 -1.623 176 HA ALA 24 HA ALA 24 8.706 7.319 -1.672 177 HB1 ALA 24 1HB ALA 24 9.443 4.893 -1.368 178 HB2 ALA 24 2HB ALA 24 10.551 5.937 -2.261 179 HB3 ALA 24 3HB ALA 24 9.514 4.802 -3.126 180 H GLY 25 H GLY 25 7.886 5.348 -4.528 181 HA2 GLY 25 2HA GLY 25 9.025 7.107 -6.424 182 HA3 GLY 25 1HA GLY 25 7.783 5.907 -6.774 183 H HIS 26 H HIS 26 5.713 6.858 -5.144 184 HA HIS 26 HA HIS 26 4.451 8.713 -6.783 185 HB2 HIS 26 2HB HIS 26 3.139 7.421 -5.247 186 HB3 HIS 26 1HB HIS 26 4.029 8.049 -3.876 187 HD1 HIS 26 1HD HIS 26 2.896 10.314 -6.622 188 HD2 HIS 26 2HD HIS 26 1.800 9.330 -2.722 189 HE1 HIS 26 1HE HIS 26 1.208 12.056 -5.902 190 HE2 HIS 26 2HE HIS 26 0.525 11.474 -3.523 191 H LEU 27 H LEU 27 5.965 9.348 -3.576 192 HA LEU 27 HA LEU 27 5.750 12.212 -4.025 193 HB2 LEU 27 2HB LEU 27 6.710 10.431 -1.807 194 HB3 LEU 27 1HB LEU 27 7.026 12.166 -1.762 195 HG LEU 27 HG LEU 27 4.248 11.072 -2.224 196 HD11 LEU 27 1HD1 LEU 27 5.157 10.171 -0.080 197 HD12 LEU 27 2HD1 LEU 27 3.813 11.280 0.164 198 HD13 LEU 27 3HD1 LEU 27 5.466 11.820 0.452 199 HD21 LEU 27 3HD2 LEU 27 3.743 13.347 -1.062 200 HD22 LEU 27 1HD2 LEU 27 4.313 13.389 -2.729 201 HD23 LEU 27 2HD2 LEU 27 5.427 13.738 -1.409 202 H GLY 28 H GLY 28 8.239 9.735 -4.026 203 HA2 GLY 28 2HA GLY 28 10.160 9.872 -5.429 204 HA3 GLY 28 1HA GLY 28 10.096 11.627 -5.316 205 H LEU 29 H LEU 29 9.474 10.663 -2.260 206 HA LEU 29 HA LEU 29 12.065 11.352 -1.296 207 HB2 LEU 29 2HB LEU 29 9.761 10.081 0.192 208 HB3 LEU 29 1HB LEU 29 11.140 10.902 0.917 209 HG LEU 29 HG LEU 29 9.146 12.173 -0.963 210 HD11 LEU 29 1HD1 LEU 29 9.445 12.285 2.045 211 HD12 LEU 29 2HD1 LEU 29 8.042 11.733 1.128 212 HD13 LEU 29 3HD1 LEU 29 8.482 13.442 1.127 213 HD21 LEU 29 3HD2 LEU 29 10.321 14.282 0.117 214 HD22 LEU 29 1HD2 LEU 29 11.092 13.447 -1.230 215 HD23 LEU 29 2HD2 LEU 29 11.638 13.147 0.420 216 H ASP 30 H ASP 30 12.799 9.759 0.649 217 HA ASP 30 HA ASP 30 13.759 7.388 -0.756 218 HB2 ASP 30 2HB ASP 30 15.310 8.739 0.595 219 HB3 ASP 30 1HB ASP 30 14.364 8.381 2.034 220 H ALA 31 H ALA 31 13.040 5.371 -0.477 221 HA ALA 31 HA ALA 31 10.627 4.802 0.835 222 HB1 ALA 31 1HB ALA 31 11.375 2.389 0.554 223 HB2 ALA 31 2HB ALA 31 12.830 3.046 -0.198 224 HB3 ALA 31 3HB ALA 31 11.246 3.360 -0.909 225 H ALA 32 H ALA 32 13.971 4.575 1.938 226 HA ALA 32 HA ALA 32 13.491 2.996 4.223 227 HB1 ALA 32 1HB ALA 32 15.686 3.680 4.923 228 HB2 ALA 32 2HB ALA 32 15.653 5.068 3.833 229 HB3 ALA 32 3HB ALA 32 15.719 3.430 3.179 230 H THR 33 H THR 33 12.700 6.236 3.519 231 HA THR 33 HA THR 33 11.975 6.675 6.350 232 HB THR 33 HB THR 33 12.591 9.169 5.787 233 HG1 THR 33 1HG THR 33 14.717 8.346 4.397 234 HG21 THR 33 3HG2 THR 33 14.968 8.684 6.547 235 HG22 THR 33 1HG2 THR 33 14.586 6.968 6.398 236 HG23 THR 33 2HG2 THR 33 13.712 7.969 7.557 237 H ILE 34 H ILE 34 10.356 5.738 4.204 238 HA ILE 34 HA ILE 34 8.844 7.996 3.234 239 HB ILE 34 HB ILE 34 8.689 5.032 3.025 240 HG12 ILE 34 2HG1 ILE 34 9.627 6.659 1.326 241 HG13 ILE 34 1HG1 ILE 34 8.432 5.527 0.694 242 HG21 ILE 34 1HG2 ILE 34 6.424 5.203 3.716 243 HG22 ILE 34 2HG2 ILE 34 6.354 5.292 1.967 244 HG23 ILE 34 3HG2 ILE 34 6.227 6.762 2.927 245 HD11 ILE 34 3HD1 ILE 34 8.401 8.297 0.423 246 HD12 ILE 34 1HD1 ILE 34 7.194 8.009 1.675 247 HD13 ILE 34 2HD1 ILE 34 7.053 7.218 0.100 248 H ALA 35 H ALA 35 7.628 5.296 5.183 249 HA ALA 35 HA ALA 35 6.836 6.525 7.487 250 HB1 ALA 35 1HB ALA 35 5.085 7.275 5.168 251 HB2 ALA 35 2HB ALA 35 5.512 8.217 6.595 252 HB3 ALA 35 3HB ALA 35 4.297 6.947 6.712 253 H THR 36 H THR 36 7.251 3.907 5.873 254 HA THR 36 HA THR 36 5.172 2.232 5.710 255 HB THR 36 HB THR 36 6.633 0.432 6.336 256 HG1 THR 36 1HG THR 36 8.530 2.168 7.416 257 HG21 THR 36 3HG2 THR 36 8.524 2.589 5.400 258 HG22 THR 36 1HG2 THR 36 7.264 1.955 4.342 259 HG23 THR 36 2HG2 THR 36 8.512 0.879 4.968 260 H ASP 37 H ASP 37 6.492 3.484 8.766 261 HA ASP 37 HA ASP 37 4.508 1.929 10.284 262 HB2 ASP 37 2HB ASP 37 5.762 2.843 12.234 263 HB3 ASP 37 1HB ASP 37 6.777 1.908 11.141 264 H LEU 38 H LEU 38 5.085 5.078 8.974 265 HA LEU 38 HA LEU 38 3.172 6.333 10.820 266 HB2 LEU 38 2HB LEU 38 5.162 7.364 8.829 267 HB3 LEU 38 1HB LEU 38 3.840 8.412 9.328 268 HG LEU 38 HG LEU 38 5.489 6.971 11.406 269 HD11 LEU 38 1HD1 LEU 38 7.004 8.927 11.480 270 HD12 LEU 38 2HD1 LEU 38 6.221 9.565 10.032 271 HD13 LEU 38 3HD1 LEU 38 7.121 8.051 9.953 272 HD21 LEU 38 3HD2 LEU 38 3.886 9.536 11.281 273 HD22 LEU 38 1HD2 LEU 38 4.948 9.140 12.633 274 HD23 LEU 38 2HD2 LEU 38 3.568 8.107 12.266 275 HA PRO 39 HA PRO 39 -0.180 6.086 7.977 276 HB2 PRO 39 2HB PRO 39 -1.491 8.462 8.513 277 HB3 PRO 39 1HB PRO 39 -1.543 7.047 9.582 278 HG2 PRO 39 2HG PRO 39 0.136 9.506 9.784 279 HG3 PRO 39 1HG PRO 39 -0.702 8.607 11.062 280 HD2 PRO 39 2HD PRO 39 1.959 8.345 10.628 281 HD3 PRO 39 1HD PRO 39 0.963 6.996 11.208 282 H LEU 40 H LEU 40 -1.340 7.462 6.262 283 HA LEU 40 HA LEU 40 0.620 8.444 4.420 284 HB2 LEU 40 2HB LEU 40 -1.192 8.671 2.861 285 HB3 LEU 40 1HB LEU 40 -1.465 7.185 3.763 286 HG LEU 40 HG LEU 40 -2.765 9.843 4.454 287 HD11 LEU 40 1HD1 LEU 40 -4.106 7.475 3.193 288 HD12 LEU 40 2HD1 LEU 40 -3.421 8.788 2.232 289 HD13 LEU 40 3HD1 LEU 40 -4.717 9.118 3.382 290 HD21 LEU 40 3HD2 LEU 40 -2.921 7.052 5.543 291 HD22 LEU 40 1HD2 LEU 40 -4.301 8.142 5.692 292 HD23 LEU 40 2HD2 LEU 40 -2.753 8.577 6.412 293 H THR 41 H THR 41 -1.468 9.858 6.772 294 HA THR 41 HA THR 41 -1.884 12.411 5.815 295 HB THR 41 HB THR 41 -1.859 13.120 8.215 296 HG1 THR 41 1HG THR 41 -1.398 11.541 9.736 297 HG21 THR 41 3HG2 THR 41 -3.863 12.112 7.171 298 HG22 THR 41 1HG2 THR 41 -3.734 11.684 8.878 299 HG23 THR 41 2HG2 THR 41 -3.287 10.511 7.639 300 H SER 42 H SER 42 1.052 11.009 7.211 301 HA SER 42 HA SER 42 2.566 13.210 7.761 302 HB2 SER 42 2HB SER 42 3.536 11.076 8.175 303 HB3 SER 42 1HB SER 42 3.287 10.564 6.506 304 HG SER 42 HG SER 42 5.361 11.888 7.599 305 H TYR 43 H TYR 43 1.601 12.007 4.598 306 HA TYR 43 HA TYR 43 3.454 13.650 3.125 307 HB2 TYR 43 2HB TYR 43 0.917 12.398 2.082 308 HB3 TYR 43 1HB TYR 43 2.378 12.782 1.189 309 HD1 TYR 43 2HD TYR 43 4.494 11.730 3.025 310 HD2 TYR 43 1HD TYR 43 0.702 10.051 1.880 311 HE1 TYR 43 2HE TYR 43 5.346 9.479 3.508 312 HE2 TYR 43 1HE TYR 43 1.591 7.785 2.367 313 HH TYR 43 HH TYR 43 3.351 6.596 2.895 314 H GLY 44 H GLY 44 0.650 14.303 4.807 315 HA2 GLY 44 2HA GLY 44 -0.663 16.175 4.968 316 HA3 GLY 44 1HA GLY 44 0.615 17.018 4.100 317 H LEU 45 H LEU 45 -0.913 14.246 2.668 318 HA LEU 45 HA LEU 45 -1.720 15.739 0.385 319 HB2 LEU 45 2HB LEU 45 -2.426 13.665 -0.508 320 HB3 LEU 45 1HB LEU 45 -1.018 13.288 0.479 321 HG LEU 45 HG LEU 45 -3.921 12.942 1.330 322 HD11 LEU 45 1HD1 LEU 45 -2.690 11.304 -0.365 323 HD12 LEU 45 2HD1 LEU 45 -3.723 10.700 0.926 324 HD13 LEU 45 3HD1 LEU 45 -1.972 10.683 1.124 325 HD21 LEU 45 3HD2 LEU 45 -2.778 11.739 3.274 326 HD22 LEU 45 1HD2 LEU 45 -2.633 13.492 3.287 327 HD23 LEU 45 2HD2 LEU 45 -1.285 12.497 2.746 328 H ASP 46 H ASP 46 -3.694 16.473 -0.231 329 HA ASP 46 HA ASP 46 -5.655 16.987 1.763 330 HB2 ASP 46 2HB ASP 46 -5.729 17.217 -1.247 331 HB3 ASP 46 1HB ASP 46 -7.044 17.748 -0.196 332 H SER 47 H SER 47 -8.071 16.446 1.185 333 HA SER 47 HA SER 47 -8.377 13.627 1.471 334 HB2 SER 47 2HB SER 47 -9.924 15.238 2.509 335 HB3 SER 47 1HB SER 47 -10.458 15.755 0.911 336 HG SER 47 HG SER 47 -11.472 13.841 2.299 337 H VAL 48 H VAL 48 -8.710 15.877 -1.205 338 HA VAL 48 HA VAL 48 -10.011 14.108 -3.009 339 HB VAL 48 HB VAL 48 -9.132 15.698 -4.760 340 HG11 VAL 48 1HG1 VAL 48 -10.420 17.013 -2.351 341 HG12 VAL 48 2HG1 VAL 48 -11.289 16.013 -3.513 342 HG13 VAL 48 3HG1 VAL 48 -10.554 17.529 -4.031 343 HG21 VAL 48 3HG2 VAL 48 -7.049 16.237 -3.397 344 HG22 VAL 48 1HG2 VAL 48 -8.083 17.224 -2.363 345 HG23 VAL 48 2HG2 VAL 48 -7.891 17.635 -4.068 346 H TYR 49 H TYR 49 -6.741 14.442 -1.957 347 HA TYR 49 HA TYR 49 -5.414 13.296 -4.168 348 HB2 TYR 49 2HB TYR 49 -4.719 14.198 -1.560 349 HB3 TYR 49 1HB TYR 49 -4.129 12.545 -1.671 350 HD1 TYR 49 2HD TYR 49 -4.388 15.506 -3.958 351 HD2 TYR 49 1HD TYR 49 -1.914 12.373 -2.379 352 HE1 TYR 49 2HE TYR 49 -2.500 16.290 -5.356 353 HE2 TYR 49 1HE TYR 49 -0.036 13.151 -3.760 354 HH TYR 49 HH TYR 49 0.713 14.811 -5.089 355 H ALA 50 H ALA 50 -6.658 11.800 -1.191 356 HA ALA 50 HA ALA 50 -5.881 9.185 -1.660 357 HB1 ALA 50 1HB ALA 50 -8.474 10.134 -0.412 358 HB2 ALA 50 2HB ALA 50 -6.942 9.935 0.438 359 HB3 ALA 50 3HB ALA 50 -7.772 8.527 -0.228 360 H LEU 51 H LEU 51 -8.805 10.863 -2.760 361 HA LEU 51 HA LEU 51 -10.178 8.813 -3.907 362 HB2 LEU 51 2HB LEU 51 -10.664 11.378 -3.911 363 HB3 LEU 51 1HB LEU 51 -9.809 11.375 -5.452 364 HG LEU 51 HG LEU 51 -12.213 11.156 -5.816 365 HD11 LEU 51 1HD1 LEU 51 -10.419 9.865 -7.191 366 HD12 LEU 51 2HD1 LEU 51 -12.118 9.400 -7.377 367 HD13 LEU 51 3HD1 LEU 51 -11.049 8.432 -6.364 368 HD21 LEU 51 3HD2 LEU 51 -12.349 8.433 -4.589 369 HD22 LEU 51 1HD2 LEU 51 -13.583 9.690 -4.691 370 HD23 LEU 51 2HD2 LEU 51 -12.319 9.794 -3.469 371 H SER 52 H SER 52 -7.961 10.831 -5.857 372 HA SER 52 HA SER 52 -7.885 8.949 -7.981 373 HB2 SER 52 2HB SER 52 -7.452 11.455 -8.052 374 HB3 SER 52 1HB SER 52 -5.831 11.087 -7.444 375 HG SER 52 HG SER 52 -5.325 10.406 -9.376 376 H ILE 53 H ILE 53 -5.600 9.785 -5.400 377 HA ILE 53 HA ILE 53 -3.551 8.027 -6.187 378 HB ILE 53 HB ILE 53 -4.275 8.942 -3.397 379 HG12 ILE 53 2HG1 ILE 53 -3.835 10.683 -5.360 380 HG13 ILE 53 1HG1 ILE 53 -3.063 10.906 -3.785 381 HG21 ILE 53 1HG2 ILE 53 -2.701 7.204 -3.139 382 HG22 ILE 53 2HG2 ILE 53 -1.706 8.658 -3.160 383 HG23 ILE 53 3HG2 ILE 53 -1.825 7.653 -4.602 384 HD11 ILE 53 3HD1 ILE 53 -0.982 10.120 -4.551 385 HD12 ILE 53 1HD1 ILE 53 -1.567 11.094 -5.898 386 HD13 ILE 53 2HD1 ILE 53 -1.684 9.336 -5.960 387 H ALA 54 H ALA 54 -5.871 7.561 -3.521 388 HA ALA 54 HA ALA 54 -5.295 4.929 -2.937 389 HB1 ALA 54 1HB ALA 54 -7.401 4.809 -1.866 390 HB2 ALA 54 2HB ALA 54 -8.119 5.984 -2.967 391 HB3 ALA 54 3HB ALA 54 -6.938 6.508 -1.768 392 H ALA 55 H ALA 55 -7.221 6.244 -5.561 393 HA ALA 55 HA ALA 55 -8.351 3.754 -6.415 394 HB1 ALA 55 1HB ALA 55 -8.765 5.001 -8.559 395 HB2 ALA 55 2HB ALA 55 -7.916 6.374 -7.850 396 HB3 ALA 55 3HB ALA 55 -9.409 5.786 -7.118 397 H GLU 56 H GLU 56 -5.548 5.645 -7.513 398 HA GLU 56 HA GLU 56 -4.755 3.877 -9.569 399 HB2 GLU 56 2HB GLU 56 -3.206 5.884 -7.932 400 HB3 GLU 56 1HB GLU 56 -2.499 4.986 -9.275 401 HG2 GLU 56 2HG GLU 56 -4.141 5.900 -10.817 402 HG3 GLU 56 1HG GLU 56 -4.989 6.699 -9.495 403 H LEU 57 H LEU 57 -3.732 4.129 -6.177 404 HA LEU 57 HA LEU 57 -1.749 2.140 -6.173 405 HB2 LEU 57 2HB LEU 57 -3.700 2.905 -3.977 406 HB3 LEU 57 1HB LEU 57 -2.212 1.997 -3.732 407 HG LEU 57 HG LEU 57 -2.345 4.772 -4.922 408 HD11 LEU 57 1HD1 LEU 57 -2.994 4.966 -2.629 409 HD12 LEU 57 2HD1 LEU 57 -1.286 5.397 -2.688 410 HD13 LEU 57 3HD1 LEU 57 -1.774 3.803 -2.118 411 HD21 LEU 57 3HD2 LEU 57 -0.098 2.911 -4.202 412 HD22 LEU 57 1HD2 LEU 57 0.152 4.658 -4.220 413 HD23 LEU 57 2HD2 LEU 57 -0.332 3.823 -5.691 414 H GLU 58 H GLU 58 -5.071 1.735 -4.951 415 HA GLU 58 HA GLU 58 -4.946 -1.072 -4.790 416 HB2 GLU 58 2HB GLU 58 -7.403 -1.018 -4.764 417 HB3 GLU 58 1HB GLU 58 -6.674 0.166 -3.691 418 HG2 GLU 58 2HG GLU 58 -8.099 1.657 -4.729 419 HG3 GLU 58 1HG GLU 58 -6.876 1.659 -5.986 420 H ASP 59 H ASP 59 -5.767 1.036 -7.483 421 HA ASP 59 HA ASP 59 -6.859 -0.939 -9.203 422 HB2 ASP 59 2HB ASP 59 -7.249 1.374 -9.701 423 HB3 ASP 59 1HB ASP 59 -5.521 1.707 -9.774 424 H HIS 60 H HIS 60 -3.627 -0.083 -8.336 425 HA HIS 60 HA HIS 60 -2.291 -1.196 -10.595 426 HB2 HIS 60 2HB HIS 60 -1.181 0.352 -9.011 427 HB3 HIS 60 1HB HIS 60 -1.268 -0.882 -7.771 428 HD1 HIS 60 1HD HIS 60 -0.679 -2.590 -10.833 429 HD2 HIS 60 2HD HIS 60 1.736 -0.453 -8.191 430 HE1 HIS 60 1HE HIS 60 1.706 -3.284 -11.321 431 HE2 HIS 60 2HE HIS 60 3.192 -1.991 -9.717 432 H LEU 61 H LEU 61 -3.245 -2.541 -7.474 433 HA LEU 61 HA LEU 61 -2.179 -5.176 -8.178 434 HB2 LEU 61 2HB LEU 61 -3.554 -4.412 -5.593 435 HB3 LEU 61 1HB LEU 61 -2.466 -5.761 -5.876 436 HG LEU 61 HG LEU 61 -1.087 -4.233 -4.771 437 HD11 LEU 61 1HD1 LEU 61 -0.587 -3.208 -7.563 438 HD12 LEU 61 2HD1 LEU 61 -0.253 -4.888 -7.142 439 HD13 LEU 61 3HD1 LEU 61 0.578 -3.587 -6.295 440 HD21 LEU 61 3HD2 LEU 61 -1.243 -1.696 -5.835 441 HD22 LEU 61 1HD2 LEU 61 -2.094 -2.237 -4.399 442 HD23 LEU 61 2HD2 LEU 61 -2.914 -2.233 -5.947 443 H ASP 62 H ASP 62 -4.634 -3.787 -9.338 444 HA ASP 62 HA ASP 62 -6.730 -4.387 -9.979 445 HB2 ASP 62 2HB ASP 62 -5.373 -7.049 -9.611 446 HB3 ASP 62 1HB ASP 62 -7.001 -6.887 -10.257 447 H VAL 63 H VAL 63 -7.031 -3.500 -7.580 448 HA VAL 63 HA VAL 63 -8.984 -5.307 -6.356 449 HB VAL 63 HB VAL 63 -7.943 -4.762 -4.062 450 HG11 VAL 63 1HG1 VAL 63 -6.336 -6.500 -5.940 451 HG12 VAL 63 2HG1 VAL 63 -7.862 -6.983 -5.199 452 HG13 VAL 63 3HG1 VAL 63 -6.455 -6.655 -4.189 453 HG21 VAL 63 3HG2 VAL 63 -5.661 -4.096 -5.936 454 HG22 VAL 63 1HG2 VAL 63 -5.439 -4.437 -4.223 455 HG23 VAL 63 2HG2 VAL 63 -6.383 -3.040 -4.728 456 H SER 64 H SER 64 -10.386 -4.219 -4.839 457 HA SER 64 HA SER 64 -10.384 -1.262 -5.135 458 HB2 SER 64 2HB SER 64 -12.693 -1.258 -5.444 459 HB3 SER 64 1HB SER 64 -12.227 -2.714 -6.322 460 HG SER 64 HG SER 64 -13.920 -3.191 -4.928 461 H LEU 65 H LEU 65 -10.926 -0.080 -3.345 462 HA LEU 65 HA LEU 65 -11.103 -1.543 -0.766 463 HB2 LEU 65 2HB LEU 65 -9.955 0.939 -0.151 464 HB3 LEU 65 1HB LEU 65 -9.072 -0.581 -0.300 465 HG LEU 65 HG LEU 65 -8.758 -0.118 -2.725 466 HD11 LEU 65 1HD1 LEU 65 -9.230 2.675 -2.879 467 HD12 LEU 65 2HD1 LEU 65 -10.685 2.009 -2.131 468 HD13 LEU 65 3HD1 LEU 65 -10.141 1.405 -3.693 469 HD21 LEU 65 3HD2 LEU 65 -7.769 1.803 -0.629 470 HD22 LEU 65 1HD2 LEU 65 -7.242 1.949 -2.306 471 HD23 LEU 65 2HD2 LEU 65 -6.912 0.469 -1.403 472 H ASP 66 H ASP 66 -11.953 -0.103 1.000 473 HA ASP 66 HA ASP 66 -14.361 1.238 -0.022 474 HB2 ASP 66 2HB ASP 66 -13.691 -0.388 2.316 475 HB3 ASP 66 1HB ASP 66 -14.554 1.076 2.782 476 HA PRO 67 HA PRO 67 -13.130 5.297 1.016 477 HB2 PRO 67 2HB PRO 67 -15.397 6.276 2.298 478 HB3 PRO 67 1HB PRO 67 -15.243 6.093 0.539 479 HG2 PRO 67 2HG PRO 67 -16.560 4.284 2.520 480 HG3 PRO 67 1HG PRO 67 -17.099 4.761 0.900 481 HD2 PRO 67 2HD PRO 67 -15.953 2.357 1.352 482 HD3 PRO 67 1HD PRO 67 -15.679 3.246 -0.165 483 H THR 68 H THR 68 -15.207 4.487 3.792 484 HA THR 68 HA THR 68 -13.566 5.775 5.688 485 HB THR 68 HB THR 68 -14.952 4.614 7.369 486 HG1 THR 68 1HG THR 68 -15.047 2.735 5.684 487 HG21 THR 68 3HG2 THR 68 -16.484 5.622 4.956 488 HG22 THR 68 1HG2 THR 68 -15.848 6.614 6.267 489 HG23 THR 68 2HG2 THR 68 -17.144 5.462 6.584 490 H LEU 69 H LEU 69 -13.259 2.779 4.121 491 HA LEU 69 HA LEU 69 -11.827 1.374 6.173 492 HB2 LEU 69 2HB LEU 69 -12.989 0.194 4.387 493 HB3 LEU 69 1HB LEU 69 -11.923 0.917 3.181 494 HG LEU 69 HG LEU 69 -10.802 -0.640 5.519 495 HD11 LEU 69 1HD1 LEU 69 -12.346 -2.176 4.523 496 HD12 LEU 69 2HD1 LEU 69 -10.733 -2.616 3.959 497 HD13 LEU 69 3HD1 LEU 69 -11.827 -1.731 2.896 498 HD21 LEU 69 3HD2 LEU 69 -8.882 0.093 4.528 499 HD22 LEU 69 1HD2 LEU 69 -9.716 0.591 3.054 500 HD23 LEU 69 2HD2 LEU 69 -9.211 -1.089 3.263 501 H ILE 70 H ILE 70 -10.900 3.338 3.367 502 HA ILE 70 HA ILE 70 -8.154 2.896 3.386 503 HB ILE 70 HB ILE 70 -9.768 5.352 2.679 504 HG12 ILE 70 2HG1 ILE 70 -8.241 3.538 0.811 505 HG13 ILE 70 1HG1 ILE 70 -9.841 3.073 1.368 506 HG21 ILE 70 1HG2 ILE 70 -6.800 4.823 2.500 507 HG22 ILE 70 2HG2 ILE 70 -7.621 6.243 3.146 508 HG23 ILE 70 3HG2 ILE 70 -7.597 5.954 1.405 509 HD11 ILE 70 3HD1 ILE 70 -9.928 4.304 -0.789 510 HD12 ILE 70 1HD1 ILE 70 -9.175 5.694 -0.003 511 HD13 ILE 70 2HD1 ILE 70 -10.782 5.160 0.495 512 H TRP 71 H TRP 71 -10.116 5.042 5.372 513 HA TRP 71 HA TRP 71 -7.840 6.273 6.647 514 HB2 TRP 71 2HB TRP 71 -10.805 6.301 7.242 515 HB3 TRP 71 1HB TRP 71 -9.619 7.165 8.218 516 HD1 TRP 71 HD TRP 71 -11.679 7.507 5.175 517 HE1 TRP 71 1HE TRP 71 -10.993 9.607 3.845 518 HE3 TRP 71 3HE TRP 71 -7.294 8.646 7.530 519 HZ2 TRP 71 2HZ TRP 71 -8.857 11.511 3.781 520 HZ3 TRP 71 3HZ TRP 71 -5.956 10.607 6.820 521 HH2 TRP 71 HH TRP 71 -6.733 12.043 4.953 522 H ASP 72 H ASP 72 -9.177 3.246 6.847 523 HA ASP 72 HA ASP 72 -8.780 2.895 9.734 524 HB2 ASP 72 2HB ASP 72 -10.709 1.839 8.473 525 HB3 ASP 72 1HB ASP 72 -9.521 0.777 7.711 526 H HIS 73 H HIS 73 -7.327 2.025 6.653 527 HA HIS 73 HA HIS 73 -5.020 0.837 8.104 528 HB2 HIS 73 2HB HIS 73 -5.789 0.238 5.248 529 HB3 HIS 73 1HB HIS 73 -4.687 -0.661 6.296 530 HD1 HIS 73 1HD HIS 73 -6.637 -0.605 8.819 531 HD2 HIS 73 2HD HIS 73 -7.659 -1.832 4.969 532 HE1 HIS 73 1HE HIS 73 -8.648 -2.127 9.059 533 HE2 HIS 73 2HE HIS 73 -9.277 -2.889 6.721 534 HA PRO 74 HA PRO 74 -3.808 4.653 5.560 535 HB2 PRO 74 2HB PRO 74 -2.994 6.224 7.672 536 HB3 PRO 74 1HB PRO 74 -4.655 6.213 7.044 537 HG2 PRO 74 2HG PRO 74 -3.518 4.793 9.413 538 HG3 PRO 74 1HG PRO 74 -5.054 5.672 9.256 539 HD2 PRO 74 2HD PRO 74 -4.936 2.960 9.117 540 HD3 PRO 74 1HD PRO 74 -6.102 3.923 8.182 541 H THR 75 H THR 75 -2.494 2.319 7.488 542 HA THR 75 HA THR 75 0.296 3.258 7.056 543 HB THR 75 HB THR 75 0.845 1.603 8.896 544 HG1 THR 75 1HG THR 75 -1.979 1.704 9.114 545 HG21 THR 75 3HG2 THR 75 -0.133 3.158 10.696 546 HG22 THR 75 1HG2 THR 75 -0.859 4.054 9.362 547 HG23 THR 75 2HG2 THR 75 0.895 3.905 9.474 548 H ILE 76 H ILE 76 1.816 1.773 6.351 549 HA ILE 76 HA ILE 76 0.958 -0.033 4.360 550 HB ILE 76 HB ILE 76 3.630 0.263 5.750 551 HG12 ILE 76 2HG1 ILE 76 2.524 1.176 3.073 552 HG13 ILE 76 1HG1 ILE 76 2.990 2.204 4.426 553 HG21 ILE 76 1HG2 ILE 76 3.377 -2.052 4.798 554 HG22 ILE 76 2HG2 ILE 76 4.576 -1.112 3.926 555 HG23 ILE 76 3HG2 ILE 76 2.969 -1.335 3.243 556 HD11 ILE 76 3HD1 ILE 76 5.307 0.745 3.986 557 HD12 ILE 76 1HD1 ILE 76 4.994 2.362 3.350 558 HD13 ILE 76 2HD1 ILE 76 4.665 0.946 2.363 559 H ASP 77 H ASP 77 2.026 -0.517 7.703 560 HA ASP 77 HA ASP 77 2.235 -3.286 7.742 561 HB2 ASP 77 2HB ASP 77 1.492 -1.209 9.782 562 HB3 ASP 77 1HB ASP 77 1.363 -2.906 10.217 563 H ALA 78 H ALA 78 -0.664 -1.279 8.318 564 HA ALA 78 HA ALA 78 -2.404 -3.516 8.645 565 HB1 ALA 78 1HB ALA 78 -4.205 -1.835 8.471 566 HB2 ALA 78 2HB ALA 78 -3.026 -0.630 7.953 567 HB3 ALA 78 3HB ALA 78 -2.939 -1.308 9.580 568 H LEU 79 H LEU 79 -1.726 -1.289 5.960 569 HA LEU 79 HA LEU 79 -3.583 -2.358 4.181 570 HB2 LEU 79 2HB LEU 79 -1.879 -0.253 4.072 571 HB3 LEU 79 1HB LEU 79 -0.991 -1.381 3.055 572 HG LEU 79 HG LEU 79 -2.429 -0.127 1.602 573 HD11 LEU 79 1HD1 LEU 79 -4.030 -2.656 1.953 574 HD12 LEU 79 2HD1 LEU 79 -2.361 -2.740 1.421 575 HD13 LEU 79 3HD1 LEU 79 -3.540 -1.849 0.465 576 HD21 LEU 79 3HD2 LEU 79 -4.970 -0.974 2.964 577 HD22 LEU 79 1HD2 LEU 79 -4.610 0.507 2.079 578 HD23 LEU 79 2HD2 LEU 79 -4.046 0.315 3.735 579 H SER 80 H SER 80 -0.189 -3.175 4.713 580 HA SER 80 HA SER 80 0.088 -5.079 2.668 581 HB2 SER 80 2HB SER 80 1.917 -4.033 4.124 582 HB3 SER 80 1HB SER 80 1.487 -5.235 5.336 583 HG SER 80 HG SER 80 2.560 -6.636 4.213 584 H THR 81 H THR 81 -0.817 -5.437 6.087 585 HA THR 81 HA THR 81 -1.100 -8.231 6.122 586 HB THR 81 HB THR 81 -2.633 -6.129 7.666 587 HG1 THR 81 1HG THR 81 -0.498 -5.998 8.146 588 HG21 THR 81 3HG2 THR 81 -2.922 -8.056 9.299 589 HG22 THR 81 1HG2 THR 81 -2.395 -9.124 8.000 590 HG23 THR 81 2HG2 THR 81 -3.868 -8.173 7.815 591 H ALA 82 H ALA 82 -3.448 -5.695 5.283 592 HA ALA 82 HA ALA 82 -5.607 -7.497 4.826 593 HB1 ALA 82 1HB ALA 82 -6.758 -5.604 3.922 594 HB2 ALA 82 2HB ALA 82 -5.244 -4.756 3.608 595 HB3 ALA 82 3HB ALA 82 -5.786 -5.007 5.267 596 H LEU 83 H LEU 83 -3.112 -6.024 2.716 597 HA LEU 83 HA LEU 83 -4.213 -6.855 0.291 598 HB2 LEU 83 2HB LEU 83 -2.140 -5.266 0.944 599 HB3 LEU 83 1HB LEU 83 -1.220 -6.733 0.596 600 HG LEU 83 HG LEU 83 -3.153 -5.313 -1.254 601 HD11 LEU 83 1HD1 LEU 83 -1.000 -5.238 -2.646 602 HD12 LEU 83 2HD1 LEU 83 -0.155 -5.685 -1.162 603 HD13 LEU 83 3HD1 LEU 83 -1.076 -4.184 -1.237 604 HD21 LEU 83 3HD2 LEU 83 -2.205 -7.112 -2.881 605 HD22 LEU 83 1HD2 LEU 83 -3.466 -7.611 -1.749 606 HD23 LEU 83 2HD2 LEU 83 -1.776 -7.991 -1.415 607 H VAL 84 H VAL 84 -1.693 -8.369 2.309 608 HA VAL 84 HA VAL 84 -1.338 -10.641 0.678 609 HB VAL 84 HB VAL 84 0.237 -9.925 2.472 610 HG11 VAL 84 1HG1 VAL 84 -1.829 -11.108 4.344 611 HG12 VAL 84 2HG1 VAL 84 -1.518 -9.389 4.130 612 HG13 VAL 84 3HG1 VAL 84 -0.263 -10.426 4.790 613 HG21 VAL 84 3HG2 VAL 84 0.576 -12.268 3.408 614 HG22 VAL 84 1HG2 VAL 84 0.532 -12.150 1.651 615 HG23 VAL 84 2HG2 VAL 84 -0.875 -12.741 2.536 616 H ALA 85 H ALA 85 -3.685 -9.812 3.156 617 HA ALA 85 HA ALA 85 -4.677 -12.386 3.697 618 HB1 ALA 85 1HB ALA 85 -6.588 -11.293 4.620 619 HB2 ALA 85 2HB ALA 85 -6.326 -9.860 3.627 620 HB3 ALA 85 3HB ALA 85 -5.208 -10.241 4.936 621 H GLU 86 H GLU 86 -5.355 -10.079 1.124 622 HA GLU 86 HA GLU 86 -7.635 -11.213 -0.005 623 HB2 GLU 86 2HB GLU 86 -5.276 -9.956 -1.428 624 HB3 GLU 86 1HB GLU 86 -6.858 -10.247 -2.150 625 HG2 GLU 86 2HG GLU 86 -6.387 -8.564 0.316 626 HG3 GLU 86 1HG GLU 86 -6.582 -7.910 -1.305 627 H LEU 87 H LEU 87 -4.490 -12.514 0.227 628 HA LEU 87 HA LEU 87 -4.989 -14.491 -1.906 629 HB2 LEU 87 2HB LEU 87 -2.785 -13.144 -1.722 630 HB3 LEU 87 1HB LEU 87 -2.416 -14.208 -0.366 631 HG LEU 87 HG LEU 87 -2.938 -16.162 -1.933 632 HD11 LEU 87 1HD1 LEU 87 -4.049 -15.301 -3.797 633 HD12 LEU 87 2HD1 LEU 87 -2.406 -15.398 -4.413 634 HD13 LEU 87 3HD1 LEU 87 -3.048 -13.850 -3.862 635 HD21 LEU 87 3HD2 LEU 87 -0.667 -15.717 -1.328 636 HD22 LEU 87 1HD2 LEU 87 -0.595 -14.309 -2.388 637 HD23 LEU 87 2HD2 LEU 87 -0.684 -15.929 -3.080 638 H ARG 88 H ARG 88 -5.064 -14.102 1.470 639 HA ARG 88 HA ARG 88 -4.484 -16.852 2.144 640 HB2 ARG 88 2HB ARG 88 -5.587 -14.517 3.708 641 HB3 ARG 88 1HB ARG 88 -5.348 -16.115 4.413 642 HG2 ARG 88 2HG ARG 88 -3.014 -14.970 2.918 643 HG3 ARG 88 1HG ARG 88 -3.413 -14.209 4.457 644 HD2 ARG 88 2HD ARG 88 -1.776 -16.264 4.424 645 HD3 ARG 88 1HD ARG 88 -3.000 -16.149 5.683 646 HE ARG 88 HE ARG 88 -4.274 -17.558 3.745 647 HH11 ARG 88 1HH2 ARG 88 -1.198 -17.812 5.291 648 HH12 ARG 88 2HH2 ARG 88 -1.109 -19.535 5.143 649 HH21 ARG 88 1HH1 ARG 88 -4.172 -19.819 3.541 650 HH22 ARG 88 2HH1 ARG 88 -2.794 -20.673 4.150 651 H SER 89 H SER 89 -6.441 -17.429 3.998 652 HA SER 89 HA SER 89 -8.557 -18.373 2.274 653 HB2 SER 89 2HB SER 89 -8.380 -18.659 5.275 654 HB3 SER 89 1HB SER 89 -9.271 -19.670 4.142 655 HG SER 89 HG SER 89 -7.025 -19.951 3.187 656 H ALA 90 H ALA 90 -10.596 -18.341 4.342 657 HA ALA 90 HA ALA 90 -11.744 -15.766 3.735 658 HB1 ALA 90 1HB ALA 90 -13.669 -16.641 5.097 659 HB2 ALA 90 2HB ALA 90 -12.727 -18.105 5.381 660 HB3 ALA 90 3HB ALA 90 -13.214 -17.675 3.742 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 15.737 -9.668 -2.265 2 H2 GLY 1 2HT GLY 1 15.076 -10.361 -0.861 3 H3 GLY 1 3HT GLY 1 14.779 -11.063 -2.379 4 HA2 GLY 1 2HA GLY 1 17.493 -10.820 -1.215 5 HA3 GLY 1 1HA GLY 1 16.474 -12.244 -0.997 6 H HIS 2 H HIS 2 16.055 -13.603 -2.749 7 HA HIS 2 HA HIS 2 16.889 -12.978 -5.421 8 HB2 HIS 2 2HB HIS 2 19.088 -13.408 -4.299 9 HB3 HIS 2 1HB HIS 2 18.531 -15.041 -3.936 10 HD1 HIS 2 1HD HIS 2 18.863 -12.794 -7.008 11 HD2 HIS 2 2HD HIS 2 19.107 -16.823 -5.963 12 HE1 HIS 2 1HE HIS 2 19.548 -14.038 -9.105 13 HE2 HIS 2 2HE HIS 2 19.701 -16.495 -8.484 14 H MET 3 H MET 3 14.455 -13.727 -4.721 15 HA MET 3 HA MET 3 14.180 -16.361 -5.943 16 HB2 MET 3 2HB MET 3 12.512 -16.970 -4.042 17 HB3 MET 3 1HB MET 3 14.238 -17.167 -3.738 18 HG2 MET 3 2HG MET 3 14.341 -15.055 -2.558 19 HG3 MET 3 1HG MET 3 12.678 -14.677 -3.000 20 HE1 MET 3 3HE MET 3 14.875 -16.127 -0.144 21 HE2 MET 3 1HE MET 3 14.995 -17.216 -1.531 22 HE3 MET 3 2HE MET 3 14.247 -17.769 -0.035 23 H SER 4 H SER 4 13.494 -14.337 -7.352 24 HA SER 4 HA SER 4 11.113 -12.969 -6.908 25 HB2 SER 4 2HB SER 4 12.611 -12.432 -8.768 26 HB3 SER 4 1HB SER 4 12.246 -13.976 -9.530 27 HG SER 4 HG SER 4 10.904 -11.676 -9.677 28 H ASP 5 H ASP 5 9.041 -13.537 -6.876 29 HA ASP 5 HA ASP 5 7.947 -15.681 -8.431 30 HB2 ASP 5 2HB ASP 5 9.071 -16.986 -6.633 31 HB3 ASP 5 1HB ASP 5 8.116 -16.108 -5.438 32 H LEU 6 H LEU 6 7.011 -13.265 -8.614 33 HA LEU 6 HA LEU 6 5.096 -12.578 -6.589 34 HB2 LEU 6 2HB LEU 6 6.361 -11.063 -8.346 35 HB3 LEU 6 1HB LEU 6 4.977 -11.438 -9.354 36 HG LEU 6 HG LEU 6 4.505 -9.393 -8.234 37 HD11 LEU 6 1HD1 LEU 6 3.035 -11.552 -6.713 38 HD12 LEU 6 2HD1 LEU 6 2.737 -11.186 -8.409 39 HD13 LEU 6 3HD1 LEU 6 2.441 -9.955 -7.179 40 HD21 LEU 6 3HD2 LEU 6 4.770 -10.632 -5.506 41 HD22 LEU 6 1HD2 LEU 6 4.907 -8.944 -5.991 42 HD23 LEU 6 2HD2 LEU 6 6.221 -10.064 -6.325 43 H SER 7 H SER 7 4.467 -13.062 -10.053 44 HA SER 7 HA SER 7 2.541 -13.805 -11.097 45 HB2 SER 7 2HB SER 7 3.946 -15.836 -10.638 46 HB3 SER 7 1HB SER 7 2.986 -16.105 -9.185 47 HG SER 7 HG SER 7 1.579 -17.007 -10.447 48 H THR 8 H THR 8 0.528 -15.537 -10.163 49 HA THR 8 HA THR 8 -1.159 -13.660 -8.814 50 HB THR 8 HB THR 8 -2.716 -15.720 -8.761 51 HG1 THR 8 1HG THR 8 -1.385 -17.390 -9.002 52 HG21 THR 8 3HG2 THR 8 -3.091 -14.091 -10.453 53 HG22 THR 8 1HG2 THR 8 -2.950 -15.620 -11.321 54 HG23 THR 8 2HG2 THR 8 -1.590 -14.499 -11.284 55 H ALA 9 H ALA 9 1.331 -14.976 -7.512 56 HA ALA 9 HA ALA 9 0.042 -15.474 -4.911 57 HB1 ALA 9 1HB ALA 9 2.210 -17.193 -6.122 58 HB2 ALA 9 2HB ALA 9 0.523 -17.668 -5.902 59 HB3 ALA 9 3HB ALA 9 1.547 -17.360 -4.496 60 HA PRO 10 HA PRO 10 3.638 -12.553 -4.669 61 HB2 PRO 10 2HB PRO 10 1.849 -10.775 -3.186 62 HB3 PRO 10 1HB PRO 10 2.669 -10.475 -4.728 63 HG2 PRO 10 2HG PRO 10 -0.038 -10.797 -4.476 64 HG3 PRO 10 1HG PRO 10 0.869 -11.154 -5.957 65 HD2 PRO 10 2HD PRO 10 -0.177 -13.056 -3.887 66 HD3 PRO 10 1HD PRO 10 -0.084 -13.238 -5.652 67 H THR 11 H THR 11 4.803 -11.901 -2.730 68 HA THR 11 HA THR 11 4.021 -13.457 -0.318 69 HB THR 11 HB THR 11 6.756 -12.386 -1.075 70 HG1 THR 11 1HG THR 11 5.571 -14.933 -1.427 71 HG21 THR 11 3HG2 THR 11 6.614 -12.755 1.286 72 HG22 THR 11 1HG2 THR 11 7.443 -14.160 0.613 73 HG23 THR 11 2HG2 THR 11 5.739 -14.270 1.060 74 H LEU 12 H LEU 12 4.354 -12.511 1.725 75 HA LEU 12 HA LEU 12 3.297 -10.010 2.137 76 HB2 LEU 12 2HB LEU 12 5.232 -11.600 3.832 77 HB3 LEU 12 1HB LEU 12 4.493 -10.100 4.387 78 HG LEU 12 HG LEU 12 2.247 -11.098 3.918 79 HD11 LEU 12 1HD1 LEU 12 2.579 -12.814 2.354 80 HD12 LEU 12 2HD1 LEU 12 2.369 -13.724 3.848 81 HD13 LEU 12 3HD1 LEU 12 3.987 -13.454 3.201 82 HD21 LEU 12 3HD2 LEU 12 2.337 -12.693 5.881 83 HD22 LEU 12 1HD2 LEU 12 3.059 -11.114 6.189 84 HD23 LEU 12 2HD2 LEU 12 4.091 -12.506 5.865 85 H ASP 13 H ASP 13 6.684 -10.896 1.721 86 HA ASP 13 HA ASP 13 7.664 -8.253 2.227 87 HB2 ASP 13 2HB ASP 13 9.279 -10.114 0.545 88 HB3 ASP 13 1HB ASP 13 9.765 -9.112 1.906 89 H SER 14 H SER 14 6.703 -10.053 -0.674 90 HA SER 14 HA SER 14 7.746 -8.170 -2.519 91 HB2 SER 14 2HB SER 14 6.452 -9.298 -4.143 92 HB3 SER 14 1HB SER 14 7.146 -10.511 -3.075 93 HG SER 14 HG SER 14 4.510 -9.438 -2.979 94 H LEU 15 H LEU 15 4.564 -8.586 -0.954 95 HA LEU 15 HA LEU 15 3.438 -6.438 -2.435 96 HB2 LEU 15 2HB LEU 15 2.443 -7.556 0.205 97 HB3 LEU 15 1HB LEU 15 1.523 -6.630 -0.960 98 HG LEU 15 HG LEU 15 2.884 -9.157 -1.868 99 HD11 LEU 15 1HD1 LEU 15 1.792 -10.299 -0.267 100 HD12 LEU 15 2HD1 LEU 15 0.396 -10.086 -1.317 101 HD13 LEU 15 3HD1 LEU 15 0.642 -9.006 0.061 102 HD21 LEU 15 3HD2 LEU 15 0.814 -7.281 -2.881 103 HD22 LEU 15 1HD2 LEU 15 0.423 -8.987 -3.093 104 HD23 LEU 15 2HD2 LEU 15 1.918 -8.339 -3.751 105 H ARG 16 H ARG 16 4.104 -6.702 1.028 106 HA ARG 16 HA ARG 16 3.844 -4.194 1.942 107 HB2 ARG 16 2HB ARG 16 4.644 -5.944 3.395 108 HB3 ARG 16 1HB ARG 16 6.174 -6.043 2.521 109 HG2 ARG 16 2HG ARG 16 5.464 -3.346 3.594 110 HG3 ARG 16 1HG ARG 16 5.835 -4.567 4.804 111 HD2 ARG 16 2HD ARG 16 7.973 -5.044 3.478 112 HD3 ARG 16 1HD ARG 16 7.626 -3.571 2.580 113 HE ARG 16 HE ARG 16 8.540 -3.739 5.316 114 HH11 ARG 16 1HH2 ARG 16 6.827 -1.900 2.944 115 HH12 ARG 16 2HH2 ARG 16 7.148 -0.372 3.693 116 HH21 ARG 16 1HH1 ARG 16 8.961 -1.743 6.314 117 HH22 ARG 16 2HH1 ARG 16 8.358 -0.283 5.605 118 H VAL 17 H VAL 17 6.801 -5.308 0.253 119 HA VAL 17 HA VAL 17 8.108 -2.801 0.253 120 HB VAL 17 HB VAL 17 9.493 -3.781 -1.546 121 HG11 VAL 17 1HG1 VAL 17 10.301 -4.534 0.510 122 HG12 VAL 17 2HG1 VAL 17 9.908 -6.084 -0.241 123 HG13 VAL 17 3HG1 VAL 17 8.801 -5.359 0.929 124 HG21 VAL 17 3HG2 VAL 17 7.913 -4.893 -2.903 125 HG22 VAL 17 1HG2 VAL 17 7.256 -5.744 -1.525 126 HG23 VAL 17 2HG2 VAL 17 8.822 -6.208 -2.145 127 H TRP 18 H TRP 18 5.746 -4.307 -1.987 128 HA TRP 18 HA TRP 18 5.951 -2.387 -4.057 129 HB2 TRP 18 2HB TRP 18 4.350 -3.684 -5.026 130 HB3 TRP 18 1HB TRP 18 4.402 -4.679 -3.574 131 HD1 TRP 18 HD TRP 18 2.212 -4.736 -2.145 132 HE1 TRP 18 1HE TRP 18 0.023 -3.489 -2.126 133 HE3 TRP 18 3HE TRP 18 3.185 -1.156 -5.688 134 HZ2 TRP 18 2HZ TRP 18 -1.184 -1.300 -3.358 135 HZ3 TRP 18 3HZ TRP 18 1.434 0.505 -6.216 136 HH2 TRP 18 HH TRP 18 -0.745 0.408 -5.032 137 H LEU 19 H LEU 19 3.728 -2.514 -1.265 138 HA LEU 19 HA LEU 19 2.274 -0.166 -1.729 139 HB2 LEU 19 2HB LEU 19 2.938 -1.859 0.634 140 HB3 LEU 19 1HB LEU 19 2.360 -0.246 0.997 141 HG LEU 19 HG LEU 19 0.796 -1.727 -1.058 142 HD11 LEU 19 1HD1 LEU 19 0.293 -2.393 1.817 143 HD12 LEU 19 2HD1 LEU 19 1.348 -3.408 0.829 144 HD13 LEU 19 3HD1 LEU 19 -0.334 -3.173 0.367 145 HD21 LEU 19 3HD2 LEU 19 0.218 0.552 -0.256 146 HD22 LEU 19 1HD2 LEU 19 -0.004 -0.117 1.362 147 HD23 LEU 19 2HD2 LEU 19 -1.061 -0.625 0.043 148 H VAL 20 H VAL 20 5.079 -0.492 0.491 149 HA VAL 20 HA VAL 20 5.288 2.268 0.950 150 HB VAL 20 HB VAL 20 6.354 0.548 2.343 151 HG11 VAL 20 1HG1 VAL 20 7.013 -0.811 0.278 152 HG12 VAL 20 2HG1 VAL 20 8.189 -0.748 1.582 153 HG13 VAL 20 3HG1 VAL 20 8.410 0.254 0.150 154 HG21 VAL 20 3HG2 VAL 20 8.467 1.723 2.680 155 HG22 VAL 20 1HG2 VAL 20 7.202 2.888 2.299 156 HG23 VAL 20 2HG2 VAL 20 8.368 2.419 1.062 157 H ASP 21 H ASP 21 6.993 0.167 -1.375 158 HA ASP 21 HA ASP 21 8.619 2.130 -2.528 159 HB2 ASP 21 2HB ASP 21 8.896 -0.265 -2.952 160 HB3 ASP 21 1HB ASP 21 7.366 -0.299 -3.828 161 H CYS 22 H CYS 22 5.264 1.312 -3.088 162 HA CYS 22 HA CYS 22 4.882 2.777 -5.482 163 HB2 CYS 22 2HB CYS 22 3.267 1.114 -4.549 164 HB3 CYS 22 1HB CYS 22 2.832 2.299 -3.316 165 HG CYS 22 HG CYS 22 2.587 3.175 -6.287 166 H VAL 23 H VAL 23 4.372 3.677 -2.058 167 HA VAL 23 HA VAL 23 3.491 6.317 -2.584 168 HB VAL 23 HB VAL 23 5.041 5.357 -0.191 169 HG11 VAL 23 1HG1 VAL 23 4.125 7.175 0.997 170 HG12 VAL 23 2HG1 VAL 23 2.888 7.463 -0.226 171 HG13 VAL 23 3HG1 VAL 23 4.567 7.880 -0.556 172 HG21 VAL 23 3HG2 VAL 23 2.048 5.337 -0.604 173 HG22 VAL 23 1HG2 VAL 23 2.919 4.760 0.819 174 HG23 VAL 23 2HG2 VAL 23 3.077 3.915 -0.722 175 H ALA 24 H ALA 24 6.770 5.026 -1.867 176 HA ALA 24 HA ALA 24 8.210 7.376 -1.847 177 HB1 ALA 24 1HB ALA 24 9.097 5.038 -1.471 178 HB2 ALA 24 2HB ALA 24 10.134 6.082 -2.440 179 HB3 ALA 24 3HB ALA 24 9.142 4.852 -3.222 180 H GLY 25 H GLY 25 7.411 5.378 -4.672 181 HA2 GLY 25 2HA GLY 25 8.585 7.082 -6.586 182 HA3 GLY 25 1HA GLY 25 7.309 5.916 -6.922 183 H HIS 26 H HIS 26 5.263 6.963 -5.283 184 HA HIS 26 HA HIS 26 4.093 8.857 -6.960 185 HB2 HIS 26 2HB HIS 26 3.549 8.125 -4.081 186 HB3 HIS 26 1HB HIS 26 2.552 9.278 -4.969 187 HD1 HIS 26 1HD HIS 26 2.796 7.682 -7.743 188 HD2 HIS 26 2HD HIS 26 1.563 6.103 -4.087 189 HE1 HIS 26 1HE HIS 26 1.384 5.650 -8.281 190 HE2 HIS 26 2HE HIS 26 0.624 4.678 -6.062 191 H LEU 27 H LEU 27 5.569 9.433 -3.727 192 HA LEU 27 HA LEU 27 5.389 12.310 -4.119 193 HB2 LEU 27 2HB LEU 27 6.749 10.736 -1.922 194 HB3 LEU 27 1HB LEU 27 6.311 12.445 -1.881 195 HG LEU 27 HG LEU 27 4.339 10.157 -2.178 196 HD11 LEU 27 1HD1 LEU 27 3.659 10.922 0.159 197 HD12 LEU 27 2HD1 LEU 27 5.168 11.834 0.203 198 HD13 LEU 27 3HD1 LEU 27 5.205 10.078 0.054 199 HD21 LEU 27 3HD2 LEU 27 2.764 12.138 -1.490 200 HD22 LEU 27 1HD2 LEU 27 3.308 12.028 -3.164 201 HD23 LEU 27 2HD2 LEU 27 4.084 13.161 -2.058 202 H GLY 28 H GLY 28 7.854 9.793 -4.197 203 HA2 GLY 28 2HA GLY 28 9.756 9.905 -5.623 204 HA3 GLY 28 1HA GLY 28 9.743 11.659 -5.474 205 H LEU 29 H LEU 29 9.095 10.648 -2.430 206 HA LEU 29 HA LEU 29 11.704 11.247 -1.459 207 HB2 LEU 29 2HB LEU 29 9.444 9.951 0.068 208 HB3 LEU 29 1HB LEU 29 10.792 10.865 0.734 209 HG LEU 29 HG LEU 29 8.648 11.964 -1.101 210 HD11 LEU 29 1HD1 LEU 29 9.154 12.381 1.861 211 HD12 LEU 29 2HD1 LEU 29 7.810 11.483 1.156 212 HD13 LEU 29 3HD1 LEU 29 7.934 13.223 0.906 213 HD21 LEU 29 3HD2 LEU 29 11.147 13.138 0.124 214 HD22 LEU 29 1HD2 LEU 29 9.764 14.171 -0.246 215 HD23 LEU 29 2HD2 LEU 29 10.561 13.270 -1.534 216 H ASP 30 H ASP 30 12.433 9.597 0.448 217 HA ASP 30 HA ASP 30 13.309 7.221 -1.008 218 HB2 ASP 30 2HB ASP 30 14.026 8.398 1.674 219 HB3 ASP 30 1HB ASP 30 14.630 6.834 1.136 220 H ALA 31 H ALA 31 12.566 5.211 -0.718 221 HA ALA 31 HA ALA 31 10.158 4.673 0.593 222 HB1 ALA 31 1HB ALA 31 11.286 3.351 -1.277 223 HB2 ALA 31 2HB ALA 31 10.447 2.434 -0.023 224 HB3 ALA 31 3HB ALA 31 12.207 2.565 0.007 225 H ALA 32 H ALA 32 13.500 4.320 1.709 226 HA ALA 32 HA ALA 32 12.938 2.781 4.008 227 HB1 ALA 32 1HB ALA 32 15.201 4.655 3.305 228 HB2 ALA 32 2HB ALA 32 15.185 2.897 3.164 229 HB3 ALA 32 3HB ALA 32 15.180 3.654 4.758 230 H THR 33 H THR 33 12.222 6.018 3.266 231 HA THR 33 HA THR 33 11.643 6.544 6.122 232 HB THR 33 HB THR 33 12.238 9.005 5.493 233 HG1 THR 33 1HG THR 33 12.765 9.018 3.443 234 HG21 THR 33 3HG2 THR 33 14.231 6.781 5.958 235 HG22 THR 33 1HG2 THR 33 13.523 7.868 7.152 236 HG23 THR 33 2HG2 THR 33 14.699 8.480 5.990 237 H ILE 34 H ILE 34 9.898 5.585 3.994 238 HA ILE 34 HA ILE 34 8.376 7.864 3.087 239 HB ILE 34 HB ILE 34 8.210 4.901 2.856 240 HG12 ILE 34 2HG1 ILE 34 9.200 6.511 1.193 241 HG13 ILE 34 1HG1 ILE 34 7.997 5.408 0.530 242 HG21 ILE 34 1HG2 ILE 34 5.903 5.145 1.785 243 HG22 ILE 34 2HG2 ILE 34 5.760 6.640 2.694 244 HG23 ILE 34 3HG2 ILE 34 5.943 5.108 3.534 245 HD11 ILE 34 3HD1 ILE 34 6.700 7.135 -0.103 246 HD12 ILE 34 1HD1 ILE 34 8.029 8.198 0.324 247 HD13 ILE 34 2HD1 ILE 34 6.755 7.875 1.495 248 H ALA 35 H ALA 35 7.141 5.144 4.963 249 HA ALA 35 HA ALA 35 6.377 6.612 7.218 250 HB1 ALA 35 1HB ALA 35 4.053 6.088 5.353 251 HB2 ALA 35 2HB ALA 35 4.856 7.652 5.442 252 HB3 ALA 35 3HB ALA 35 4.044 7.003 6.864 253 H THR 36 H THR 36 7.245 3.886 6.042 254 HA THR 36 HA THR 36 5.574 1.857 6.166 255 HB THR 36 HB THR 36 7.311 0.460 6.910 256 HG1 THR 36 1HG THR 36 7.547 1.448 8.952 257 HG21 THR 36 3HG2 THR 36 8.768 2.982 6.067 258 HG22 THR 36 1HG2 THR 36 7.910 1.928 4.943 259 HG23 THR 36 2HG2 THR 36 9.296 1.315 5.844 260 H ASP 37 H ASP 37 6.727 3.492 9.135 261 HA ASP 37 HA ASP 37 4.655 2.038 10.672 262 HB2 ASP 37 2HB ASP 37 7.094 1.887 11.367 263 HB3 ASP 37 1HB ASP 37 7.027 3.616 11.706 264 H LEU 38 H LEU 38 4.357 4.504 8.916 265 HA LEU 38 HA LEU 38 3.019 6.163 10.936 266 HB2 LEU 38 2HB LEU 38 5.080 7.075 8.949 267 HB3 LEU 38 1HB LEU 38 3.829 8.199 9.464 268 HG LEU 38 HG LEU 38 4.986 6.869 11.804 269 HD11 LEU 38 1HD1 LEU 38 6.952 8.326 10.014 270 HD12 LEU 38 2HD1 LEU 38 6.974 6.593 10.343 271 HD13 LEU 38 3HD1 LEU 38 7.268 7.744 11.648 272 HD21 LEU 38 3HD2 LEU 38 5.504 9.257 12.393 273 HD22 LEU 38 1HD2 LEU 38 3.823 9.011 11.915 274 HD23 LEU 38 2HD2 LEU 38 4.967 9.730 10.779 275 HA PRO 39 HA PRO 39 -0.252 6.145 7.990 276 HB2 PRO 39 2HB PRO 39 -1.517 8.508 8.567 277 HB3 PRO 39 1HB PRO 39 -1.597 7.077 9.617 278 HG2 PRO 39 2HG PRO 39 0.140 9.496 9.859 279 HG3 PRO 39 1HG PRO 39 -0.756 8.626 11.115 280 HD2 PRO 39 2HD PRO 39 1.914 8.268 10.739 281 HD3 PRO 39 1HD PRO 39 0.853 6.953 11.293 282 H LEU 40 H LEU 40 -1.352 7.696 6.365 283 HA LEU 40 HA LEU 40 0.661 8.620 4.542 284 HB2 LEU 40 2HB LEU 40 -1.586 9.445 3.329 285 HB3 LEU 40 1HB LEU 40 -1.099 7.752 3.319 286 HG LEU 40 HG LEU 40 -2.537 7.322 5.254 287 HD11 LEU 40 1HD1 LEU 40 -2.713 9.206 6.557 288 HD12 LEU 40 2HD1 LEU 40 -4.247 9.296 5.697 289 HD13 LEU 40 3HD1 LEU 40 -2.882 10.284 5.175 290 HD21 LEU 40 3HD2 LEU 40 -4.748 7.871 4.076 291 HD22 LEU 40 1HD2 LEU 40 -3.566 6.948 3.143 292 HD23 LEU 40 2HD2 LEU 40 -3.760 8.680 2.855 293 H THR 41 H THR 41 -1.233 10.011 7.015 294 HA THR 41 HA THR 41 -1.614 12.577 6.145 295 HB THR 41 HB THR 41 -1.551 13.275 8.502 296 HG1 THR 41 1HG THR 41 -0.546 12.119 9.954 297 HG21 THR 41 3HG2 THR 41 -3.373 11.983 9.206 298 HG22 THR 41 1HG2 THR 41 -2.731 10.509 8.485 299 HG23 THR 41 2HG2 THR 41 -3.414 11.769 7.456 300 H SER 42 H SER 42 1.371 11.080 7.322 301 HA SER 42 HA SER 42 2.967 13.215 7.845 302 HB2 SER 42 2HB SER 42 3.862 11.019 8.137 303 HB3 SER 42 1HB SER 42 3.537 10.596 6.454 304 HG SER 42 HG SER 42 5.329 12.633 7.297 305 H TYR 43 H TYR 43 1.840 12.107 4.699 306 HA TYR 43 HA TYR 43 3.622 13.799 3.182 307 HB2 TYR 43 2HB TYR 43 1.072 12.606 2.114 308 HB3 TYR 43 1HB TYR 43 2.599 12.877 1.285 309 HD1 TYR 43 2HD TYR 43 4.470 11.731 3.422 310 HD2 TYR 43 1HD TYR 43 0.786 10.273 1.737 311 HE1 TYR 43 2HE TYR 43 5.148 9.415 3.933 312 HE2 TYR 43 1HE TYR 43 1.490 7.953 2.250 313 HH TYR 43 HH TYR 43 2.959 6.682 3.247 314 H GLY 44 H GLY 44 0.775 14.296 4.918 315 HA2 GLY 44 2HA GLY 44 -0.591 16.135 5.172 316 HA3 GLY 44 1HA GLY 44 0.654 17.045 4.322 317 H LEU 45 H LEU 45 -0.836 14.272 2.837 318 HA LEU 45 HA LEU 45 -1.653 15.781 0.570 319 HB2 LEU 45 2HB LEU 45 -2.300 13.707 -0.343 320 HB3 LEU 45 1HB LEU 45 -0.893 13.351 0.645 321 HG LEU 45 HG LEU 45 -3.789 12.909 1.482 322 HD11 LEU 45 1HD1 LEU 45 -1.591 11.073 0.529 323 HD12 LEU 45 2HD1 LEU 45 -3.247 11.193 -0.062 324 HD13 LEU 45 3HD1 LEU 45 -2.925 10.483 1.517 325 HD21 LEU 45 3HD2 LEU 45 -1.127 12.506 2.867 326 HD22 LEU 45 1HD2 LEU 45 -2.584 11.655 3.366 327 HD23 LEU 45 2HD2 LEU 45 -2.521 13.411 3.459 328 H ASP 46 H ASP 46 -3.625 16.489 -0.055 329 HA ASP 46 HA ASP 46 -5.598 17.006 1.903 330 HB2 ASP 46 2HB ASP 46 -5.726 17.101 -1.118 331 HB3 ASP 46 1HB ASP 46 -7.003 17.694 -0.055 332 H SER 47 H SER 47 -7.936 16.333 1.618 333 HA SER 47 HA SER 47 -8.161 13.518 1.875 334 HB2 SER 47 2HB SER 47 -9.688 15.091 2.998 335 HB3 SER 47 1HB SER 47 -10.331 15.583 1.435 336 HG SER 47 HG SER 47 -10.292 12.872 1.804 337 H VAL 48 H VAL 48 -8.681 15.734 -0.787 338 HA VAL 48 HA VAL 48 -10.043 13.898 -2.499 339 HB VAL 48 HB VAL 48 -9.466 15.526 -4.289 340 HG11 VAL 48 1HG1 VAL 48 -10.781 17.353 -3.377 341 HG12 VAL 48 2HG1 VAL 48 -10.408 16.846 -1.729 342 HG13 VAL 48 3HG1 VAL 48 -11.425 15.834 -2.757 343 HG21 VAL 48 3HG2 VAL 48 -8.253 17.581 -3.651 344 HG22 VAL 48 1HG2 VAL 48 -7.232 16.160 -3.436 345 HG23 VAL 48 2HG2 VAL 48 -7.985 16.925 -2.037 346 H TYR 49 H TYR 49 -6.728 14.438 -1.676 347 HA TYR 49 HA TYR 49 -5.506 13.358 -3.986 348 HB2 TYR 49 2HB TYR 49 -4.569 14.551 -1.716 349 HB3 TYR 49 1HB TYR 49 -4.163 12.866 -1.375 350 HD1 TYR 49 2HD TYR 49 -4.088 15.188 -4.335 351 HD2 TYR 49 1HD TYR 49 -2.028 12.199 -2.039 352 HE1 TYR 49 2HE TYR 49 -2.146 15.352 -5.863 353 HE2 TYR 49 1HE TYR 49 -0.088 12.365 -3.559 354 HH TYR 49 HH TYR 49 -0.209 13.667 -6.541 355 H ALA 50 H ALA 50 -6.343 11.848 -0.868 356 HA ALA 50 HA ALA 50 -5.417 9.297 -1.271 357 HB1 ALA 50 1HB ALA 50 -7.998 10.163 0.049 358 HB2 ALA 50 2HB ALA 50 -6.432 9.941 0.829 359 HB3 ALA 50 3HB ALA 50 -7.300 8.547 0.188 360 H LEU 51 H LEU 51 -8.345 10.761 -2.568 361 HA LEU 51 HA LEU 51 -9.523 8.416 -3.591 362 HB2 LEU 51 2HB LEU 51 -10.780 10.476 -3.427 363 HB3 LEU 51 1HB LEU 51 -9.682 11.285 -4.541 364 HG LEU 51 HG LEU 51 -10.870 8.779 -5.618 365 HD11 LEU 51 1HD1 LEU 51 -13.062 9.816 -6.076 366 HD12 LEU 51 2HD1 LEU 51 -12.600 11.222 -5.115 367 HD13 LEU 51 3HD1 LEU 51 -12.791 9.650 -4.341 368 HD21 LEU 51 3HD2 LEU 51 -10.889 10.009 -7.638 369 HD22 LEU 51 1HD2 LEU 51 -9.463 10.631 -6.801 370 HD23 LEU 51 2HD2 LEU 51 -10.966 11.560 -6.804 371 H SER 52 H SER 52 -7.387 10.808 -5.174 372 HA SER 52 HA SER 52 -7.244 9.398 -7.638 373 HB2 SER 52 2HB SER 52 -6.693 11.863 -7.128 374 HB3 SER 52 1HB SER 52 -5.115 11.264 -6.600 375 HG SER 52 HG SER 52 -4.700 11.394 -8.673 376 H ILE 53 H ILE 53 -4.982 9.651 -4.896 377 HA ILE 53 HA ILE 53 -3.023 7.931 -5.974 378 HB ILE 53 HB ILE 53 -3.689 8.460 -3.072 379 HG12 ILE 53 2HG1 ILE 53 -3.417 10.553 -4.306 380 HG13 ILE 53 1HG1 ILE 53 -2.021 10.279 -3.271 381 HG21 ILE 53 1HG2 ILE 53 -1.032 8.172 -3.069 382 HG22 ILE 53 2HG2 ILE 53 -1.378 7.182 -4.486 383 HG23 ILE 53 3HG2 ILE 53 -2.106 6.783 -2.930 384 HD11 ILE 53 3HD1 ILE 53 -2.237 10.153 -6.252 385 HD12 ILE 53 1HD1 ILE 53 -1.027 9.150 -5.455 386 HD13 ILE 53 2HD1 ILE 53 -0.996 10.900 -5.253 387 H ALA 54 H ALA 54 -5.461 7.269 -3.451 388 HA ALA 54 HA ALA 54 -5.004 4.556 -3.167 389 HB1 ALA 54 1HB ALA 54 -7.233 4.355 -2.279 390 HB2 ALA 54 2HB ALA 54 -7.753 5.821 -3.107 391 HB3 ALA 54 3HB ALA 54 -6.594 5.921 -1.781 392 H ALA 55 H ALA 55 -6.909 6.235 -5.617 393 HA ALA 55 HA ALA 55 -8.077 3.944 -6.808 394 HB1 ALA 55 1HB ALA 55 -7.384 6.641 -7.989 395 HB2 ALA 55 2HB ALA 55 -8.932 6.152 -7.300 396 HB3 ALA 55 3HB ALA 55 -8.364 5.418 -8.799 397 H GLU 56 H GLU 56 -5.158 5.778 -7.655 398 HA GLU 56 HA GLU 56 -4.350 4.225 -9.850 399 HB2 GLU 56 2HB GLU 56 -2.758 5.869 -7.878 400 HB3 GLU 56 1HB GLU 56 -2.043 5.131 -9.311 401 HG2 GLU 56 2HG GLU 56 -4.415 7.018 -9.383 402 HG3 GLU 56 1HG GLU 56 -2.748 7.524 -9.643 403 H LEU 57 H LEU 57 -3.501 3.906 -6.409 404 HA LEU 57 HA LEU 57 -1.680 1.756 -6.650 405 HB2 LEU 57 2HB LEU 57 -3.471 2.811 -4.460 406 HB3 LEU 57 1HB LEU 57 -2.628 1.291 -4.207 407 HG LEU 57 HG LEU 57 -0.493 2.640 -4.958 408 HD11 LEU 57 1HD1 LEU 57 -1.764 4.613 -5.734 409 HD12 LEU 57 2HD1 LEU 57 -0.616 5.017 -4.453 410 HD13 LEU 57 3HD1 LEU 57 -2.328 4.854 -4.082 411 HD21 LEU 57 3HD2 LEU 57 -0.764 1.819 -2.686 412 HD22 LEU 57 1HD2 LEU 57 -1.915 3.107 -2.326 413 HD23 LEU 57 2HD2 LEU 57 -0.221 3.496 -2.617 414 H GLU 58 H GLU 58 -5.097 1.544 -5.562 415 HA GLU 58 HA GLU 58 -5.197 -1.224 -5.692 416 HB2 GLU 58 2HB GLU 58 -7.580 -1.042 -5.623 417 HB3 GLU 58 1HB GLU 58 -6.899 0.229 -4.639 418 HG2 GLU 58 2HG GLU 58 -7.184 1.840 -6.468 419 HG3 GLU 58 1HG GLU 58 -7.859 0.586 -7.480 420 H ASP 59 H ASP 59 -5.736 1.160 -8.229 421 HA ASP 59 HA ASP 59 -6.818 -0.534 -10.192 422 HB2 ASP 59 2HB ASP 59 -6.847 1.896 -10.395 423 HB3 ASP 59 1HB ASP 59 -5.088 1.929 -10.504 424 H HIS 60 H HIS 60 -3.543 0.022 -9.140 425 HA HIS 60 HA HIS 60 -2.265 -1.270 -11.364 426 HB2 HIS 60 2HB HIS 60 -1.292 -0.667 -8.567 427 HB3 HIS 60 1HB HIS 60 -0.277 -1.354 -9.840 428 HD1 HIS 60 1HD HIS 60 -1.308 0.260 -12.254 429 HD2 HIS 60 2HD HIS 60 -0.373 1.977 -8.574 430 HE1 HIS 60 1HE HIS 60 -0.845 2.707 -12.704 431 HE2 HIS 60 2HE HIS 60 -0.277 3.770 -10.468 432 H LEU 61 H LEU 61 -3.373 -2.339 -8.181 433 HA LEU 61 HA LEU 61 -2.407 -5.062 -8.718 434 HB2 LEU 61 2HB LEU 61 -3.592 -3.791 -6.241 435 HB3 LEU 61 1HB LEU 61 -3.123 -5.483 -6.358 436 HG LEU 61 HG LEU 61 -1.346 -4.150 -5.302 437 HD11 LEU 61 1HD1 LEU 61 0.410 -5.104 -6.429 438 HD12 LEU 61 2HD1 LEU 61 -0.223 -4.671 -8.023 439 HD13 LEU 61 3HD1 LEU 61 -0.918 -6.031 -7.131 440 HD21 LEU 61 3HD2 LEU 61 -0.386 -2.280 -6.251 441 HD22 LEU 61 1HD2 LEU 61 -2.057 -2.087 -6.747 442 HD23 LEU 61 2HD2 LEU 61 -0.864 -2.707 -7.882 443 H ASP 62 H ASP 62 -4.895 -3.573 -9.916 444 HA ASP 62 HA ASP 62 -7.084 -4.102 -10.432 445 HB2 ASP 62 2HB ASP 62 -5.672 -6.754 -10.324 446 HB3 ASP 62 1HB ASP 62 -7.321 -6.577 -10.912 447 H VAL 63 H VAL 63 -7.308 -3.451 -7.947 448 HA VAL 63 HA VAL 63 -9.058 -5.503 -6.774 449 HB VAL 63 HB VAL 63 -7.957 -4.831 -4.496 450 HG11 VAL 63 1HG1 VAL 63 -7.759 -7.076 -5.323 451 HG12 VAL 63 2HG1 VAL 63 -6.139 -6.548 -4.870 452 HG13 VAL 63 3HG1 VAL 63 -6.616 -6.576 -6.568 453 HG21 VAL 63 3HG2 VAL 63 -5.815 -4.056 -6.507 454 HG22 VAL 63 1HG2 VAL 63 -5.484 -4.381 -4.806 455 HG23 VAL 63 2HG2 VAL 63 -6.528 -3.037 -5.254 456 H SER 64 H SER 64 -10.615 -4.621 -5.296 457 HA SER 64 HA SER 64 -10.960 -1.695 -5.555 458 HB2 SER 64 2HB SER 64 -13.327 -2.087 -5.308 459 HB3 SER 64 1HB SER 64 -12.721 -3.153 -6.574 460 HG SER 64 HG SER 64 -12.978 -3.893 -3.849 461 H LEU 65 H LEU 65 -10.839 -0.516 -3.776 462 HA LEU 65 HA LEU 65 -10.908 -1.867 -1.134 463 HB2 LEU 65 2HB LEU 65 -9.623 0.471 -0.594 464 HB3 LEU 65 1HB LEU 65 -8.782 -1.007 -1.051 465 HG LEU 65 HG LEU 65 -8.824 -0.271 -3.428 466 HD11 LEU 65 1HD1 LEU 65 -10.246 2.080 -2.173 467 HD12 LEU 65 2HD1 LEU 65 -10.677 1.185 -3.629 468 HD13 LEU 65 3HD1 LEU 65 -9.307 2.290 -3.648 469 HD21 LEU 65 3HD2 LEU 65 -7.563 1.448 -1.293 470 HD22 LEU 65 1HD2 LEU 65 -7.282 1.784 -3.003 471 HD23 LEU 65 2HD2 LEU 65 -6.803 0.229 -2.322 472 H ASP 66 H ASP 66 -11.612 -0.373 0.656 473 HA ASP 66 HA ASP 66 -14.033 1.038 -0.220 474 HB2 ASP 66 2HB ASP 66 -13.241 -0.557 2.113 475 HB3 ASP 66 1HB ASP 66 -14.065 0.928 2.582 476 HA PRO 67 HA PRO 67 -12.465 5.025 0.806 477 HB2 PRO 67 2HB PRO 67 -14.687 6.285 1.803 478 HB3 PRO 67 1HB PRO 67 -14.481 5.892 0.084 479 HG2 PRO 67 2HG PRO 67 -16.057 4.454 2.172 480 HG3 PRO 67 1HG PRO 67 -16.468 4.792 0.482 481 HD2 PRO 67 2HD PRO 67 -15.532 2.355 1.316 482 HD3 PRO 67 1HD PRO 67 -15.254 2.992 -0.318 483 H THR 68 H THR 68 -14.811 4.371 3.417 484 HA THR 68 HA THR 68 -13.331 5.642 5.439 485 HB THR 68 HB THR 68 -14.845 4.381 6.996 486 HG1 THR 68 1HG THR 68 -15.030 2.493 5.754 487 HG21 THR 68 3HG2 THR 68 -16.244 5.581 4.592 488 HG22 THR 68 1HG2 THR 68 -15.496 6.525 5.879 489 HG23 THR 68 2HG2 THR 68 -16.873 5.483 6.236 490 H LEU 69 H LEU 69 -13.001 2.556 3.985 491 HA LEU 69 HA LEU 69 -11.704 1.201 6.144 492 HB2 LEU 69 2HB LEU 69 -12.732 -0.018 4.293 493 HB3 LEU 69 1HB LEU 69 -11.571 0.682 3.162 494 HG LEU 69 HG LEU 69 -10.647 -0.844 5.603 495 HD11 LEU 69 1HD1 LEU 69 -11.535 -1.930 2.934 496 HD12 LEU 69 2HD1 LEU 69 -12.092 -2.395 4.540 497 HD13 LEU 69 3HD1 LEU 69 -10.462 -2.822 4.013 498 HD21 LEU 69 3HD2 LEU 69 -8.659 -0.146 4.759 499 HD22 LEU 69 1HD2 LEU 69 -9.372 0.367 3.229 500 HD23 LEU 69 2HD2 LEU 69 -8.905 -1.318 3.470 501 H ILE 70 H ILE 70 -10.564 3.119 3.392 502 HA ILE 70 HA ILE 70 -7.814 2.645 3.683 503 HB ILE 70 HB ILE 70 -9.323 5.066 2.669 504 HG12 ILE 70 2HG1 ILE 70 -7.689 3.114 1.041 505 HG13 ILE 70 1HG1 ILE 70 -9.327 2.689 1.524 506 HG21 ILE 70 1HG2 ILE 70 -6.363 4.462 2.747 507 HG22 ILE 70 2HG2 ILE 70 -7.190 5.925 3.279 508 HG23 ILE 70 3HG2 ILE 70 -7.057 5.566 1.557 509 HD11 ILE 70 3HD1 ILE 70 -10.168 4.775 0.480 510 HD12 ILE 70 1HD1 ILE 70 -9.346 3.746 -0.691 511 HD13 ILE 70 2HD1 ILE 70 -8.527 5.165 -0.036 512 H TRP 71 H TRP 71 -9.932 5.021 5.229 513 HA TRP 71 HA TRP 71 -7.851 6.340 6.680 514 HB2 TRP 71 2HB TRP 71 -10.849 6.211 7.002 515 HB3 TRP 71 1HB TRP 71 -9.827 7.100 8.131 516 HD1 TRP 71 HD TRP 71 -11.674 7.584 5.030 517 HE1 TRP 71 1HE TRP 71 -10.886 9.705 3.794 518 HE3 TRP 71 3HE TRP 71 -7.331 8.497 7.543 519 HZ2 TRP 71 2HZ TRP 71 -8.692 11.548 3.865 520 HZ3 TRP 71 3HZ TRP 71 -5.909 10.434 6.942 521 HH2 TRP 71 HH TRP 71 -6.583 11.960 5.108 522 H ASP 72 H ASP 72 -9.113 3.244 6.939 523 HA ASP 72 HA ASP 72 -8.760 3.038 9.853 524 HB2 ASP 72 2HB ASP 72 -10.665 1.894 8.601 525 HB3 ASP 72 1HB ASP 72 -9.447 0.797 7.938 526 H HIS 73 H HIS 73 -7.250 2.073 6.831 527 HA HIS 73 HA HIS 73 -4.942 0.967 8.349 528 HB2 HIS 73 2HB HIS 73 -5.732 0.153 5.551 529 HB3 HIS 73 1HB HIS 73 -4.609 -0.653 6.651 530 HD1 HIS 73 1HD HIS 73 -6.616 -0.312 9.167 531 HD2 HIS 73 2HD HIS 73 -7.504 -2.075 5.497 532 HE1 HIS 73 1HE HIS 73 -8.591 -1.847 9.568 533 HE2 HIS 73 2HE HIS 73 -9.129 -2.946 7.343 534 HA PRO 74 HA PRO 74 -3.757 4.570 5.462 535 HB2 PRO 74 2HB PRO 74 -3.047 6.386 7.385 536 HB3 PRO 74 1HB PRO 74 -4.706 6.230 6.776 537 HG2 PRO 74 2HG PRO 74 -3.511 5.095 9.270 538 HG3 PRO 74 1HG PRO 74 -5.064 5.922 9.044 539 HD2 PRO 74 2HD PRO 74 -4.905 3.204 9.162 540 HD3 PRO 74 1HD PRO 74 -6.087 4.047 8.134 541 H THR 75 H THR 75 -2.452 2.439 7.588 542 HA THR 75 HA THR 75 0.335 3.413 7.232 543 HB THR 75 HB THR 75 0.817 1.742 9.106 544 HG1 THR 75 1HG THR 75 -0.853 0.938 10.185 545 HG21 THR 75 3HG2 THR 75 0.820 4.147 9.487 546 HG22 THR 75 1HG2 THR 75 0.044 3.341 10.848 547 HG23 THR 75 2HG2 THR 75 -0.938 4.156 9.630 548 H ILE 76 H ILE 76 1.890 2.041 6.495 549 HA ILE 76 HA ILE 76 1.165 0.186 4.514 550 HB ILE 76 HB ILE 76 3.813 0.296 5.972 551 HG12 ILE 76 2HG1 ILE 76 3.293 2.548 5.253 552 HG13 ILE 76 1HG1 ILE 76 4.460 1.881 4.114 553 HG21 ILE 76 1HG2 ILE 76 3.560 -1.648 4.521 554 HG22 ILE 76 2HG2 ILE 76 4.673 -0.507 3.768 555 HG23 ILE 76 3HG2 ILE 76 3.010 -0.628 3.195 556 HD11 ILE 76 3HD1 ILE 76 2.350 1.173 2.752 557 HD12 ILE 76 1HD1 ILE 76 2.873 2.853 2.698 558 HD13 ILE 76 2HD1 ILE 76 1.521 2.380 3.726 559 H ASP 77 H ASP 77 2.235 -0.290 7.857 560 HA ASP 77 HA ASP 77 2.449 -3.061 7.889 561 HB2 ASP 77 2HB ASP 77 1.717 -0.977 9.916 562 HB3 ASP 77 1HB ASP 77 1.585 -2.674 10.365 563 H ALA 78 H ALA 78 -0.452 -1.059 8.569 564 HA ALA 78 HA ALA 78 -2.200 -3.291 8.866 565 HB1 ALA 78 1HB ALA 78 -3.999 -1.618 8.725 566 HB2 ALA 78 2HB ALA 78 -2.835 -0.403 8.195 567 HB3 ALA 78 3HB ALA 78 -2.723 -1.083 9.819 568 H LEU 79 H LEU 79 -1.561 -1.033 6.191 569 HA LEU 79 HA LEU 79 -3.440 -2.076 4.392 570 HB2 LEU 79 2HB LEU 79 -1.812 0.041 4.321 571 HB3 LEU 79 1HB LEU 79 -0.816 -1.048 3.363 572 HG LEU 79 HG LEU 79 -2.219 0.178 1.845 573 HD11 LEU 79 1HD1 LEU 79 -3.684 -2.438 2.037 574 HD12 LEU 79 2HD1 LEU 79 -1.982 -2.391 1.617 575 HD13 LEU 79 3HD1 LEU 79 -3.147 -1.558 0.599 576 HD21 LEU 79 3HD2 LEU 79 -4.379 0.792 2.254 577 HD22 LEU 79 1HD2 LEU 79 -4.055 0.322 3.920 578 HD23 LEU 79 2HD2 LEU 79 -4.840 -0.809 2.821 579 H SER 80 H SER 80 -0.036 -2.940 4.947 580 HA SER 80 HA SER 80 0.224 -4.833 2.886 581 HB2 SER 80 2HB SER 80 1.563 -4.730 5.599 582 HB3 SER 80 1HB SER 80 2.073 -5.754 4.260 583 HG SER 80 HG SER 80 2.119 -3.666 3.050 584 H THR 81 H THR 81 -0.779 -5.183 6.271 585 HA THR 81 HA THR 81 -1.122 -7.954 6.340 586 HB THR 81 HB THR 81 -2.770 -5.833 7.726 587 HG1 THR 81 1HG THR 81 -0.693 -5.650 8.368 588 HG21 THR 81 3HG2 THR 81 -3.118 -7.747 9.377 589 HG22 THR 81 1HG2 THR 81 -2.521 -8.818 8.111 590 HG23 THR 81 2HG2 THR 81 -3.990 -7.879 7.851 591 H ALA 82 H ALA 82 -3.363 -5.415 5.310 592 HA ALA 82 HA ALA 82 -5.542 -7.141 4.727 593 HB1 ALA 82 1HB ALA 82 -6.401 -5.255 3.384 594 HB2 ALA 82 2HB ALA 82 -4.848 -4.440 3.555 595 HB3 ALA 82 3HB ALA 82 -5.852 -4.728 4.977 596 H LEU 83 H LEU 83 -2.774 -5.999 2.768 597 HA LEU 83 HA LEU 83 -3.689 -6.909 0.287 598 HB2 LEU 83 2HB LEU 83 -1.602 -5.464 1.047 599 HB3 LEU 83 1HB LEU 83 -0.779 -7.021 0.965 600 HG LEU 83 HG LEU 83 -0.564 -6.005 -1.161 601 HD11 LEU 83 1HD1 LEU 83 -1.456 -7.646 -2.607 602 HD12 LEU 83 2HD1 LEU 83 -2.834 -7.932 -1.544 603 HD13 LEU 83 3HD1 LEU 83 -1.220 -8.442 -1.056 604 HD21 LEU 83 3HD2 LEU 83 -2.094 -4.784 -2.269 605 HD22 LEU 83 1HD2 LEU 83 -2.770 -4.586 -0.658 606 HD23 LEU 83 2HD2 LEU 83 -3.449 -5.791 -1.752 607 H VAL 84 H VAL 84 -1.489 -8.491 2.619 608 HA VAL 84 HA VAL 84 -1.258 -10.882 1.137 609 HB VAL 84 HB VAL 84 0.315 -10.260 2.907 610 HG11 VAL 84 1HG1 VAL 84 -1.251 -9.243 4.455 611 HG12 VAL 84 2HG1 VAL 84 -0.367 -10.521 5.279 612 HG13 VAL 84 3HG1 VAL 84 -2.031 -10.793 4.756 613 HG21 VAL 84 3HG2 VAL 84 -1.186 -12.854 3.422 614 HG22 VAL 84 1HG2 VAL 84 0.421 -12.485 4.038 615 HG23 VAL 84 2HG2 VAL 84 0.159 -12.629 2.300 616 H ALA 85 H ALA 85 -3.716 -9.679 3.318 617 HA ALA 85 HA ALA 85 -4.948 -12.131 3.952 618 HB1 ALA 85 1HB ALA 85 -6.779 -10.811 4.684 619 HB2 ALA 85 2HB ALA 85 -6.340 -9.487 3.604 620 HB3 ALA 85 3HB ALA 85 -5.333 -9.849 5.007 621 H GLU 86 H GLU 86 -5.421 -9.818 1.292 622 HA GLU 86 HA GLU 86 -7.671 -10.937 0.119 623 HB2 GLU 86 2HB GLU 86 -7.218 -9.580 -1.703 624 HB3 GLU 86 1HB GLU 86 -6.179 -8.819 -0.498 625 HG2 GLU 86 2HG GLU 86 -4.721 -9.072 -2.295 626 HG3 GLU 86 1HG GLU 86 -4.383 -10.514 -1.349 627 H LEU 87 H LEU 87 -4.502 -12.207 0.343 628 HA LEU 87 HA LEU 87 -4.829 -14.069 -1.887 629 HB2 LEU 87 2HB LEU 87 -2.633 -12.911 -1.352 630 HB3 LEU 87 1HB LEU 87 -2.540 -13.932 0.080 631 HG LEU 87 HG LEU 87 -2.737 -15.940 -1.423 632 HD11 LEU 87 1HD1 LEU 87 -1.983 -15.262 -3.880 633 HD12 LEU 87 2HD1 LEU 87 -2.807 -13.757 -3.485 634 HD13 LEU 87 3HD1 LEU 87 -3.682 -15.287 -3.440 635 HD21 LEU 87 3HD2 LEU 87 -0.381 -15.580 -2.417 636 HD22 LEU 87 1HD2 LEU 87 -0.556 -15.424 -0.668 637 HD23 LEU 87 2HD2 LEU 87 -0.456 -13.980 -1.675 638 H ARG 88 H ARG 88 -5.431 -13.961 1.480 639 HA ARG 88 HA ARG 88 -5.001 -16.700 2.104 640 HB2 ARG 88 2HB ARG 88 -6.716 -14.551 3.347 641 HB3 ARG 88 1HB ARG 88 -6.625 -16.191 3.997 642 HG2 ARG 88 2HG ARG 88 -4.177 -15.969 4.210 643 HG3 ARG 88 1HG ARG 88 -4.272 -14.327 3.571 644 HD2 ARG 88 2HD ARG 88 -5.750 -13.693 5.455 645 HD3 ARG 88 1HD ARG 88 -5.612 -15.325 6.100 646 HE ARG 88 HE ARG 88 -3.580 -13.243 6.196 647 HH11 ARG 88 1HH2 ARG 88 -4.361 -16.606 6.422 648 HH12 ARG 88 2HH2 ARG 88 -2.970 -17.008 7.372 649 HH21 ARG 88 1HH1 ARG 88 -1.753 -13.761 7.441 650 HH22 ARG 88 2HH1 ARG 88 -1.493 -15.396 7.950 651 H SER 89 H SER 89 -8.224 -15.617 2.687 652 HA SER 89 HA SER 89 -9.342 -17.951 1.487 653 HB2 SER 89 2HB SER 89 -10.648 -15.441 2.556 654 HB3 SER 89 1HB SER 89 -11.516 -16.897 2.078 655 HG SER 89 HG SER 89 -10.213 -16.356 4.367 656 H ALA 90 H ALA 90 -7.859 -16.485 -0.431 657 HA ALA 90 HA ALA 90 -8.005 -15.561 -2.538 658 HB1 ALA 90 1HB ALA 90 -10.560 -17.186 -2.508 659 HB2 ALA 90 2HB ALA 90 -8.960 -17.784 -2.947 660 HB3 ALA 90 3HB ALA 90 -9.754 -16.572 -3.952 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 -9.838 -14.980 -19.036 2 H2 GLY 1 2HT GLY 1 -11.496 -15.028 -19.396 3 H3 GLY 1 3HT GLY 1 -10.909 -15.771 -17.987 4 HA2 GLY 1 2HA GLY 1 -11.368 -12.933 -18.549 5 HA3 GLY 1 1HA GLY 1 -11.705 -13.854 -17.082 6 H HIS 2 H HIS 2 -8.817 -14.985 -17.762 7 HA HIS 2 HA HIS 2 -6.743 -14.684 -16.807 8 HB2 HIS 2 2HB HIS 2 -6.693 -13.068 -18.725 9 HB3 HIS 2 1HB HIS 2 -7.191 -11.802 -17.601 10 HD1 HIS 2 1HD HIS 2 -5.432 -10.875 -15.995 11 HD2 HIS 2 2HD HIS 2 -4.048 -14.125 -18.210 12 HE1 HIS 2 1HE HIS 2 -2.938 -11.017 -15.578 13 HE2 HIS 2 2HE HIS 2 -2.080 -12.994 -16.921 14 H MET 3 H MET 3 -7.549 -15.123 -14.662 15 HA MET 3 HA MET 3 -8.454 -13.052 -12.925 16 HB2 MET 3 2HB MET 3 -7.269 -15.768 -12.309 17 HB3 MET 3 1HB MET 3 -8.063 -14.720 -11.133 18 HG2 MET 3 2HG MET 3 -9.771 -16.204 -11.829 19 HG3 MET 3 1HG MET 3 -10.073 -14.739 -12.762 20 HE1 MET 3 3HE MET 3 -11.310 -17.228 -13.275 21 HE2 MET 3 1HE MET 3 -10.941 -17.985 -14.832 22 HE3 MET 3 2HE MET 3 -11.501 -16.315 -14.770 23 H SER 4 H SER 4 -5.415 -13.780 -14.188 24 HA SER 4 HA SER 4 -3.285 -13.048 -13.721 25 HB2 SER 4 2HB SER 4 -4.470 -10.851 -13.781 26 HB3 SER 4 1HB SER 4 -4.718 -10.976 -12.042 27 HG SER 4 HG SER 4 -2.331 -10.672 -13.509 28 H ASP 5 H ASP 5 -1.661 -12.792 -11.968 29 HA ASP 5 HA ASP 5 -2.303 -13.372 -9.266 30 HB2 ASP 5 2HB ASP 5 -1.257 -15.623 -9.211 31 HB3 ASP 5 1HB ASP 5 -2.782 -15.585 -10.088 32 H LEU 6 H LEU 6 -0.420 -12.082 -11.498 33 HA LEU 6 HA LEU 6 1.601 -11.010 -11.364 34 HB2 LEU 6 2HB LEU 6 0.947 -11.250 -8.742 35 HB3 LEU 6 1HB LEU 6 2.413 -12.223 -8.766 36 HG LEU 6 HG LEU 6 2.193 -9.397 -9.827 37 HD11 LEU 6 1HD1 LEU 6 1.938 -9.505 -7.392 38 HD12 LEU 6 2HD1 LEU 6 3.498 -8.804 -7.820 39 HD13 LEU 6 3HD1 LEU 6 3.405 -10.478 -7.271 40 HD21 LEU 6 3HD2 LEU 6 3.942 -10.768 -10.924 41 HD22 LEU 6 1HD2 LEU 6 4.598 -11.194 -9.341 42 HD23 LEU 6 2HD2 LEU 6 4.661 -9.523 -9.901 43 H SER 7 H SER 7 3.733 -12.610 -9.680 44 HA SER 7 HA SER 7 4.199 -14.880 -11.458 45 HB2 SER 7 2HB SER 7 5.978 -12.452 -11.249 46 HB3 SER 7 1HB SER 7 6.590 -14.020 -11.770 47 HG SER 7 HG SER 7 5.903 -13.307 -13.649 48 H THR 8 H THR 8 5.690 -16.336 -10.622 49 HA THR 8 HA THR 8 6.776 -17.533 -9.040 50 HB THR 8 HB THR 8 7.222 -14.956 -7.550 51 HG1 THR 8 1HG THR 8 8.982 -14.666 -8.895 52 HG21 THR 8 3HG2 THR 8 7.898 -17.038 -6.421 53 HG22 THR 8 1HG2 THR 8 9.319 -16.119 -6.915 54 HG23 THR 8 2HG2 THR 8 8.814 -17.526 -7.848 55 H ALA 9 H ALA 9 4.893 -14.936 -7.559 56 HA ALA 9 HA ALA 9 2.767 -15.856 -6.473 57 HB1 ALA 9 1HB ALA 9 3.547 -17.976 -5.806 58 HB2 ALA 9 2HB ALA 9 3.332 -17.059 -4.316 59 HB3 ALA 9 3HB ALA 9 4.951 -17.285 -4.981 60 HA PRO 10 HA PRO 10 3.837 -11.799 -4.641 61 HB2 PRO 10 2HB PRO 10 1.033 -12.185 -3.643 62 HB3 PRO 10 1HB PRO 10 1.772 -10.763 -4.407 63 HG2 PRO 10 2HG PRO 10 0.122 -12.377 -5.750 64 HG3 PRO 10 1HG PRO 10 1.506 -11.594 -6.525 65 HD2 PRO 10 2HD PRO 10 1.152 -14.449 -5.777 66 HD3 PRO 10 1HD PRO 10 2.158 -13.743 -7.054 67 H THR 11 H THR 11 5.208 -12.051 -2.936 68 HA THR 11 HA THR 11 4.286 -13.521 -0.544 69 HB THR 11 HB THR 11 7.069 -12.565 -1.251 70 HG1 THR 11 1HG THR 11 7.215 -14.321 -2.366 71 HG21 THR 11 3HG2 THR 11 5.931 -14.337 0.920 72 HG22 THR 11 1HG2 THR 11 6.850 -12.845 1.118 73 HG23 THR 11 2HG2 THR 11 7.648 -14.297 0.515 74 H LEU 12 H LEU 12 4.707 -12.593 1.542 75 HA LEU 12 HA LEU 12 3.676 -10.086 1.969 76 HB2 LEU 12 2HB LEU 12 5.725 -11.560 3.628 77 HB3 LEU 12 1HB LEU 12 4.816 -10.155 4.181 78 HG LEU 12 HG LEU 12 2.781 -11.767 3.252 79 HD11 LEU 12 1HD1 LEU 12 4.596 -13.575 2.948 80 HD12 LEU 12 2HD1 LEU 12 3.141 -14.040 3.829 81 HD13 LEU 12 3HD1 LEU 12 4.627 -13.669 4.707 82 HD21 LEU 12 3HD2 LEU 12 3.988 -11.758 6.040 83 HD22 LEU 12 1HD2 LEU 12 2.353 -12.290 5.644 84 HD23 LEU 12 2HD2 LEU 12 2.811 -10.602 5.416 85 H ASP 13 H ASP 13 7.046 -10.984 1.435 86 HA ASP 13 HA ASP 13 8.110 -8.396 1.939 87 HB2 ASP 13 2HB ASP 13 9.385 -10.369 0.071 88 HB3 ASP 13 1HB ASP 13 10.151 -9.220 1.167 89 H SER 14 H SER 14 6.890 -10.031 -0.971 90 HA SER 14 HA SER 14 7.790 -8.063 -2.819 91 HB2 SER 14 2HB SER 14 5.341 -9.703 -3.247 92 HB3 SER 14 1HB SER 14 6.577 -9.250 -4.408 93 HG SER 14 HG SER 14 7.868 -10.591 -2.630 94 H LEU 15 H LEU 15 4.763 -8.518 -0.998 95 HA LEU 15 HA LEU 15 3.464 -6.289 -2.206 96 HB2 LEU 15 2HB LEU 15 2.843 -7.555 0.469 97 HB3 LEU 15 1HB LEU 15 1.747 -6.640 -0.554 98 HG LEU 15 HG LEU 15 3.049 -9.254 -1.344 99 HD11 LEU 15 1HD1 LEU 15 0.587 -10.024 -1.149 100 HD12 LEU 15 2HD1 LEU 15 0.362 -8.580 -0.158 101 HD13 LEU 15 3HD1 LEU 15 1.509 -9.823 0.342 102 HD21 LEU 15 3HD2 LEU 15 2.552 -8.071 -3.335 103 HD22 LEU 15 1HD2 LEU 15 1.070 -7.389 -2.661 104 HD23 LEU 15 2HD2 LEU 15 1.141 -9.098 -3.092 105 H ARG 16 H ARG 16 4.457 -6.744 1.160 106 HA ARG 16 HA ARG 16 4.304 -4.278 2.195 107 HB2 ARG 16 2HB ARG 16 5.268 -6.082 3.474 108 HB3 ARG 16 1HB ARG 16 6.692 -6.109 2.434 109 HG2 ARG 16 2HG ARG 16 6.106 -3.459 3.655 110 HG3 ARG 16 1HG ARG 16 6.560 -4.719 4.800 111 HD2 ARG 16 2HD ARG 16 8.590 -5.190 3.436 112 HD3 ARG 16 1HD ARG 16 8.155 -3.870 2.361 113 HE ARG 16 HE ARG 16 8.967 -2.397 3.938 114 HH11 ARG 16 1HH2 ARG 16 8.228 -5.452 5.379 115 HH12 ARG 16 2HH2 ARG 16 8.888 -5.036 6.925 116 HH21 ARG 16 1HH1 ARG 16 9.832 -1.843 5.950 117 HH22 ARG 16 2HH1 ARG 16 9.798 -2.988 7.248 118 H VAL 17 H VAL 17 7.112 -5.332 0.231 119 HA VAL 17 HA VAL 17 8.435 -2.846 0.168 120 HB VAL 17 HB VAL 17 9.619 -3.763 -1.798 121 HG11 VAL 17 1HG1 VAL 17 9.125 -5.446 0.656 122 HG12 VAL 17 2HG1 VAL 17 10.590 -4.603 0.161 123 HG13 VAL 17 3HG1 VAL 17 10.132 -6.113 -0.633 124 HG21 VAL 17 3HG2 VAL 17 8.873 -6.152 -2.432 125 HG22 VAL 17 1HG2 VAL 17 7.876 -4.823 -3.023 126 HG23 VAL 17 2HG2 VAL 17 7.374 -5.747 -1.616 127 H TRP 18 H TRP 18 5.919 -4.247 -1.925 128 HA TRP 18 HA TRP 18 5.958 -2.287 -3.942 129 HB2 TRP 18 2HB TRP 18 4.261 -3.547 -4.769 130 HB3 TRP 18 1HB TRP 18 4.403 -4.544 -3.322 131 HD1 TRP 18 HD TRP 18 2.424 -4.448 -1.588 132 HE1 TRP 18 1HE TRP 18 0.265 -3.115 -1.409 133 HE3 TRP 18 3HE TRP 18 3.099 -1.123 -5.418 134 HZ2 TRP 18 2HZ TRP 18 -1.026 -0.986 -2.678 135 HZ3 TRP 18 3HZ TRP 18 1.349 0.553 -5.890 136 HH2 TRP 18 HH TRP 18 -0.712 0.614 -4.511 137 H LEU 19 H LEU 19 3.989 -2.442 -0.975 138 HA LEU 19 HA LEU 19 2.533 -0.089 -1.316 139 HB2 LEU 19 2HB LEU 19 3.226 -1.887 0.884 140 HB3 LEU 19 1HB LEU 19 2.993 -0.230 1.420 141 HG LEU 19 HG LEU 19 0.934 -1.257 -0.475 142 HD11 LEU 19 1HD1 LEU 19 -0.255 -2.522 1.188 143 HD12 LEU 19 2HD1 LEU 19 1.005 -2.229 2.386 144 HD13 LEU 19 3HD1 LEU 19 1.341 -3.225 0.967 145 HD21 LEU 19 3HD2 LEU 19 1.067 0.998 0.817 146 HD22 LEU 19 1HD2 LEU 19 0.506 0.065 2.204 147 HD23 LEU 19 2HD2 LEU 19 -0.478 0.165 0.743 148 H VAL 20 H VAL 20 5.488 -0.451 0.691 149 HA VAL 20 HA VAL 20 5.799 2.292 1.148 150 HB VAL 20 HB VAL 20 6.972 0.633 2.480 151 HG11 VAL 20 1HG1 VAL 20 7.274 -0.899 0.421 152 HG12 VAL 20 2HG1 VAL 20 8.566 -0.875 1.613 153 HG13 VAL 20 3HG1 VAL 20 8.740 0.028 0.108 154 HG21 VAL 20 3HG2 VAL 20 9.109 1.689 2.581 155 HG22 VAL 20 1HG2 VAL 20 7.984 2.930 2.029 156 HG23 VAL 20 2HG2 VAL 20 9.048 2.127 0.873 157 H ASP 21 H ASP 21 7.342 0.191 -1.288 158 HA ASP 21 HA ASP 21 8.885 2.167 -2.516 159 HB2 ASP 21 2HB ASP 21 9.183 -0.221 -2.976 160 HB3 ASP 21 1HB ASP 21 7.600 -0.279 -3.747 161 H CYS 22 H CYS 22 5.517 1.291 -2.946 162 HA CYS 22 HA CYS 22 5.005 2.724 -5.319 163 HB2 CYS 22 2HB CYS 22 3.427 1.096 -4.358 164 HB3 CYS 22 1HB CYS 22 3.124 2.186 -3.007 165 HG CYS 22 HG CYS 22 1.842 3.748 -4.529 166 H VAL 23 H VAL 23 4.624 3.689 -1.901 167 HA VAL 23 HA VAL 23 3.734 6.313 -2.445 168 HB VAL 23 HB VAL 23 5.333 5.330 -0.094 169 HG11 VAL 23 1HG1 VAL 23 3.291 7.532 0.071 170 HG12 VAL 23 2HG1 VAL 23 4.891 7.924 -0.554 171 HG13 VAL 23 3HG1 VAL 23 4.720 7.253 1.059 172 HG21 VAL 23 3HG2 VAL 23 2.359 5.328 -0.651 173 HG22 VAL 23 1HG2 VAL 23 3.038 5.131 0.968 174 HG23 VAL 23 2HG2 VAL 23 3.389 3.943 -0.288 175 H ALA 24 H ALA 24 7.023 5.067 -1.741 176 HA ALA 24 HA ALA 24 8.465 7.411 -1.805 177 HB1 ALA 24 1HB ALA 24 9.357 5.093 -1.382 178 HB2 ALA 24 2HB ALA 24 10.374 6.095 -2.419 179 HB3 ALA 24 3HB ALA 24 9.350 4.846 -3.129 180 H GLY 25 H GLY 25 7.615 5.361 -4.583 181 HA2 GLY 25 2HA GLY 25 8.753 7.023 -6.562 182 HA3 GLY 25 1HA GLY 25 7.477 5.844 -6.841 183 H HIS 26 H HIS 26 5.450 6.896 -5.243 184 HA HIS 26 HA HIS 26 4.242 8.759 -6.931 185 HB2 HIS 26 2HB HIS 26 3.747 8.008 -4.055 186 HB3 HIS 26 1HB HIS 26 2.753 9.210 -4.876 187 HD1 HIS 26 1HD HIS 26 2.163 8.139 -7.526 188 HD2 HIS 26 2HD HIS 26 2.439 5.591 -4.241 189 HE1 HIS 26 1HE HIS 26 0.899 6.035 -8.142 190 HE2 HIS 26 2HE HIS 26 1.057 4.473 -6.149 191 H LEU 27 H LEU 27 5.765 9.374 -3.724 192 HA LEU 27 HA LEU 27 5.570 12.242 -4.156 193 HB2 LEU 27 2HB LEU 27 6.956 10.713 -1.946 194 HB3 LEU 27 1HB LEU 27 6.500 12.419 -1.928 195 HG LEU 27 HG LEU 27 4.565 10.090 -2.155 196 HD11 LEU 27 1HD1 LEU 27 3.858 10.948 0.140 197 HD12 LEU 27 2HD1 LEU 27 5.347 11.892 0.148 198 HD13 LEU 27 3HD1 LEU 27 5.420 10.131 0.083 199 HD21 LEU 27 3HD2 LEU 27 4.256 13.088 -2.196 200 HD22 LEU 27 1HD2 LEU 27 2.952 12.079 -1.566 201 HD23 LEU 27 2HD2 LEU 27 3.493 11.880 -3.231 202 H GLY 28 H GLY 28 8.051 9.740 -4.171 203 HA2 GLY 28 2HA GLY 28 9.962 9.829 -5.589 204 HA3 GLY 28 1HA GLY 28 9.903 11.587 -5.527 205 H LEU 29 H LEU 29 9.298 10.739 -2.437 206 HA LEU 29 HA LEU 29 11.893 11.450 -1.512 207 HB2 LEU 29 2HB LEU 29 9.674 10.172 0.095 208 HB3 LEU 29 1HB LEU 29 10.984 11.185 0.695 209 HG LEU 29 HG LEU 29 8.741 12.049 -1.150 210 HD11 LEU 29 1HD1 LEU 29 9.429 12.974 1.651 211 HD12 LEU 29 2HD1 LEU 29 8.210 11.750 1.297 212 HD13 LEU 29 3HD1 LEU 29 8.002 13.400 0.708 213 HD21 LEU 29 3HD2 LEU 29 11.271 13.417 -0.232 214 HD22 LEU 29 1HD2 LEU 29 9.837 14.361 -0.636 215 HD23 LEU 29 2HD2 LEU 29 10.590 13.335 -1.857 216 H ASP 30 H ASP 30 12.646 9.917 0.481 217 HA ASP 30 HA ASP 30 13.618 7.521 -0.858 218 HB2 ASP 30 2HB ASP 30 14.224 8.906 1.742 219 HB3 ASP 30 1HB ASP 30 14.789 7.260 1.464 220 H ALA 31 H ALA 31 12.912 5.506 -0.565 221 HA ALA 31 HA ALA 31 10.463 4.938 0.677 222 HB1 ALA 31 1HB ALA 31 11.081 3.439 -0.992 223 HB2 ALA 31 2HB ALA 31 11.316 2.508 0.486 224 HB3 ALA 31 3HB ALA 31 12.705 3.226 -0.333 225 H ALA 32 H ALA 32 13.787 4.630 1.869 226 HA ALA 32 HA ALA 32 13.180 3.134 4.186 227 HB1 ALA 32 1HB ALA 32 15.446 3.393 3.193 228 HB2 ALA 32 2HB ALA 32 15.398 3.755 4.919 229 HB3 ALA 32 3HB ALA 32 15.458 5.067 3.743 230 H THR 33 H THR 33 12.501 6.361 3.370 231 HA THR 33 HA THR 33 11.883 6.953 6.201 232 HB THR 33 HB THR 33 12.467 9.394 5.533 233 HG1 THR 33 1HG THR 33 14.239 8.093 3.793 234 HG21 THR 33 3HG2 THR 33 13.768 8.236 7.196 235 HG22 THR 33 1HG2 THR 33 14.917 8.920 6.046 236 HG23 THR 33 2HG2 THR 33 14.515 7.205 5.977 237 H ILE 34 H ILE 34 10.121 5.888 4.249 238 HA ILE 34 HA ILE 34 8.564 8.110 3.215 239 HB ILE 34 HB ILE 34 8.396 5.134 3.122 240 HG12 ILE 34 2HG1 ILE 34 9.462 6.648 1.404 241 HG13 ILE 34 1HG1 ILE 34 8.263 5.525 0.774 242 HG21 ILE 34 1HG2 ILE 34 6.124 5.412 3.712 243 HG22 ILE 34 2HG2 ILE 34 6.114 5.466 1.955 244 HG23 ILE 34 3HG2 ILE 34 6.031 6.966 2.879 245 HD11 ILE 34 3HD1 ILE 34 7.009 7.225 -0.007 246 HD12 ILE 34 1HD1 ILE 34 8.344 8.298 0.403 247 HD13 ILE 34 2HD1 ILE 34 7.029 8.054 1.550 248 H ALA 35 H ALA 35 7.404 5.413 5.187 249 HA ALA 35 HA ALA 35 6.668 6.685 7.509 250 HB1 ALA 35 1HB ALA 35 4.800 7.257 5.221 251 HB2 ALA 35 2HB ALA 35 5.284 8.305 6.558 252 HB3 ALA 35 3HB ALA 35 4.119 7.012 6.832 253 H THR 36 H THR 36 7.129 4.038 5.936 254 HA THR 36 HA THR 36 5.119 2.274 5.873 255 HB THR 36 HB THR 36 6.657 0.556 6.454 256 HG1 THR 36 1HG THR 36 7.542 0.968 8.333 257 HG21 THR 36 3HG2 THR 36 8.612 1.144 5.189 258 HG22 THR 36 1HG2 THR 36 8.405 2.856 5.548 259 HG23 THR 36 2HG2 THR 36 7.267 2.037 4.477 260 H ASP 37 H ASP 37 6.494 3.618 8.869 261 HA ASP 37 HA ASP 37 4.618 2.049 10.484 262 HB2 ASP 37 2HB ASP 37 7.021 2.305 11.142 263 HB3 ASP 37 1HB ASP 37 6.725 4.029 11.363 264 H LEU 38 H LEU 38 4.976 5.161 9.065 265 HA LEU 38 HA LEU 38 3.008 6.358 10.901 266 HB2 LEU 38 2HB LEU 38 4.993 7.468 8.943 267 HB3 LEU 38 1HB LEU 38 3.615 8.449 9.419 268 HG LEU 38 HG LEU 38 4.493 7.580 11.883 269 HD11 LEU 38 1HD1 LEU 38 6.409 6.446 10.817 270 HD12 LEU 38 2HD1 LEU 38 6.933 7.737 11.900 271 HD13 LEU 38 3HD1 LEU 38 6.937 7.987 10.151 272 HD21 LEU 38 3HD2 LEU 38 5.333 10.002 10.266 273 HD22 LEU 38 1HD2 LEU 38 5.673 9.828 11.990 274 HD23 LEU 38 2HD2 LEU 38 4.005 9.888 11.419 275 HA PRO 39 HA PRO 39 -0.311 6.019 8.066 276 HB2 PRO 39 2HB PRO 39 -1.608 8.428 8.481 277 HB3 PRO 39 1HB PRO 39 -1.700 7.048 9.595 278 HG2 PRO 39 2HG PRO 39 0.014 9.490 9.748 279 HG3 PRO 39 1HG PRO 39 -0.874 8.655 11.036 280 HD2 PRO 39 2HD PRO 39 1.788 8.316 10.712 281 HD3 PRO 39 1HD PRO 39 0.744 6.989 11.255 282 H LEU 40 H LEU 40 -1.460 7.340 6.288 283 HA LEU 40 HA LEU 40 0.533 8.233 4.422 284 HB2 LEU 40 2HB LEU 40 -1.240 8.355 2.825 285 HB3 LEU 40 1HB LEU 40 -1.567 6.941 3.823 286 HG LEU 40 HG LEU 40 -2.820 9.670 4.281 287 HD11 LEU 40 1HD1 LEU 40 -3.449 8.423 2.133 288 HD12 LEU 40 2HD1 LEU 40 -4.758 8.923 3.205 289 HD13 LEU 40 3HD1 LEU 40 -4.217 7.243 3.195 290 HD21 LEU 40 3HD2 LEU 40 -2.848 8.534 6.333 291 HD22 LEU 40 1HD2 LEU 40 -3.088 6.965 5.564 292 HD23 LEU 40 2HD2 LEU 40 -4.413 8.128 5.631 293 H THR 41 H THR 41 -1.618 9.740 6.661 294 HA THR 41 HA THR 41 -1.992 12.247 5.572 295 HB THR 41 HB THR 41 -1.373 11.877 8.493 296 HG1 THR 41 1HG THR 41 -2.959 10.541 8.611 297 HG21 THR 41 3HG2 THR 41 -3.040 13.603 8.766 298 HG22 THR 41 1HG2 THR 41 -3.483 13.509 7.060 299 HG23 THR 41 2HG2 THR 41 -1.905 14.146 7.530 300 H SER 42 H SER 42 0.850 10.920 7.191 301 HA SER 42 HA SER 42 2.343 13.122 7.753 302 HB2 SER 42 2HB SER 42 3.341 11.067 8.270 303 HB3 SER 42 1HB SER 42 3.090 10.428 6.648 304 HG SER 42 HG SER 42 4.869 11.362 6.014 305 H TYR 43 H TYR 43 1.666 11.785 4.558 306 HA TYR 43 HA TYR 43 3.572 13.367 3.141 307 HB2 TYR 43 2HB TYR 43 1.004 12.249 2.026 308 HB3 TYR 43 1HB TYR 43 2.510 12.547 1.175 309 HD1 TYR 43 2HD TYR 43 4.496 11.409 3.106 310 HD2 TYR 43 1HD TYR 43 0.677 9.919 1.809 311 HE1 TYR 43 2HE TYR 43 5.218 9.106 3.613 312 HE2 TYR 43 1HE TYR 43 1.426 7.613 2.313 313 HH TYR 43 HH TYR 43 3.081 6.508 3.782 314 H GLY 44 H GLY 44 0.825 14.243 4.783 315 HA2 GLY 44 2HA GLY 44 -0.370 16.198 4.892 316 HA3 GLY 44 1HA GLY 44 0.931 16.927 3.954 317 H LEU 45 H LEU 45 -0.763 14.183 2.693 318 HA LEU 45 HA LEU 45 -1.581 15.646 0.377 319 HB2 LEU 45 2HB LEU 45 -2.300 13.568 -0.480 320 HB3 LEU 45 1HB LEU 45 -0.872 13.201 0.478 321 HG LEU 45 HG LEU 45 -3.759 12.857 1.386 322 HD11 LEU 45 1HD1 LEU 45 -2.672 11.197 -0.299 323 HD12 LEU 45 2HD1 LEU 45 -3.458 10.546 1.138 324 HD13 LEU 45 3HD1 LEU 45 -1.700 10.675 1.078 325 HD21 LEU 45 3HD2 LEU 45 -1.102 12.453 2.776 326 HD22 LEU 45 1HD2 LEU 45 -2.584 11.680 3.333 327 HD23 LEU 45 2HD2 LEU 45 -2.459 13.435 3.316 328 H ASP 46 H ASP 46 -3.555 16.406 -0.194 329 HA ASP 46 HA ASP 46 -5.497 16.863 1.848 330 HB2 ASP 46 2HB ASP 46 -5.528 17.260 -1.141 331 HB3 ASP 46 1HB ASP 46 -6.894 17.683 -0.111 332 H SER 47 H SER 47 -7.911 16.355 1.280 333 HA SER 47 HA SER 47 -8.242 13.539 1.450 334 HB2 SER 47 2HB SER 47 -10.355 15.618 0.855 335 HB3 SER 47 1HB SER 47 -10.613 14.004 1.508 336 HG SER 47 HG SER 47 -9.069 16.057 2.728 337 H VAL 48 H VAL 48 -8.519 15.860 -1.177 338 HA VAL 48 HA VAL 48 -9.817 14.151 -3.036 339 HB VAL 48 HB VAL 48 -7.989 16.519 -3.517 340 HG11 VAL 48 1HG1 VAL 48 -9.281 16.594 -5.701 341 HG12 VAL 48 2HG1 VAL 48 -9.886 14.983 -5.311 342 HG13 VAL 48 3HG1 VAL 48 -8.157 15.242 -5.548 343 HG21 VAL 48 3HG2 VAL 48 -11.017 16.358 -3.502 344 HG22 VAL 48 1HG2 VAL 48 -10.029 17.813 -3.638 345 HG23 VAL 48 2HG2 VAL 48 -10.064 16.909 -2.123 346 H TYR 49 H TYR 49 -6.525 14.461 -1.977 347 HA TYR 49 HA TYR 49 -5.208 13.323 -4.185 348 HB2 TYR 49 2HB TYR 49 -4.494 14.238 -1.621 349 HB3 TYR 49 1HB TYR 49 -3.998 12.549 -1.646 350 HD1 TYR 49 1HD TYR 49 -4.050 15.396 -4.084 351 HD2 TYR 49 2HD TYR 49 -1.769 12.235 -2.284 352 HE1 TYR 49 1HE TYR 49 -2.096 16.012 -5.478 353 HE2 TYR 49 2HE TYR 49 0.183 12.851 -3.664 354 HH TYR 49 HH TYR 49 0.019 14.661 -6.365 355 H ALA 50 H ALA 50 -6.426 11.795 -1.212 356 HA ALA 50 HA ALA 50 -5.690 9.182 -1.711 357 HB1 ALA 50 1HB ALA 50 -6.687 9.750 0.402 358 HB2 ALA 50 2HB ALA 50 -7.739 8.562 -0.369 359 HB3 ALA 50 3HB ALA 50 -8.179 10.269 -0.381 360 H LEU 51 H LEU 51 -8.581 10.908 -2.823 361 HA LEU 51 HA LEU 51 -10.009 8.895 -3.983 362 HB2 LEU 51 2HB LEU 51 -10.423 11.460 -3.983 363 HB3 LEU 51 1HB LEU 51 -9.550 11.443 -5.512 364 HG LEU 51 HG LEU 51 -11.947 11.280 -5.915 365 HD11 LEU 51 1HD1 LEU 51 -11.886 9.507 -7.460 366 HD12 LEU 51 2HD1 LEU 51 -10.844 8.524 -6.432 367 HD13 LEU 51 3HD1 LEU 51 -10.185 9.941 -7.261 368 HD21 LEU 51 3HD2 LEU 51 -12.129 9.941 -3.568 369 HD22 LEU 51 1HD2 LEU 51 -12.177 8.572 -4.682 370 HD23 LEU 51 2HD2 LEU 51 -13.376 9.860 -4.810 371 H SER 52 H SER 52 -7.742 10.863 -5.930 372 HA SER 52 HA SER 52 -7.686 8.970 -8.042 373 HB2 SER 52 2HB SER 52 -7.215 11.462 -8.136 374 HB3 SER 52 1HB SER 52 -5.609 11.085 -7.503 375 HG SER 52 HG SER 52 -5.089 10.443 -9.437 376 H ILE 53 H ILE 53 -5.388 9.786 -5.466 377 HA ILE 53 HA ILE 53 -3.357 8.009 -6.235 378 HB ILE 53 HB ILE 53 -4.115 8.897 -3.446 379 HG12 ILE 53 2HG1 ILE 53 -3.634 10.650 -5.375 380 HG13 ILE 53 1HG1 ILE 53 -2.885 10.851 -3.790 381 HG21 ILE 53 1HG2 ILE 53 -2.560 7.139 -3.183 382 HG22 ILE 53 2HG2 ILE 53 -1.557 8.590 -3.167 383 HG23 ILE 53 3HG2 ILE 53 -1.657 7.608 -4.626 384 HD11 ILE 53 3HD1 ILE 53 -1.359 11.060 -5.880 385 HD12 ILE 53 1HD1 ILE 53 -1.482 9.302 -5.965 386 HD13 ILE 53 2HD1 ILE 53 -0.792 10.067 -4.535 387 H ALA 54 H ALA 54 -5.692 7.540 -3.576 388 HA ALA 54 HA ALA 54 -5.153 4.899 -3.022 389 HB1 ALA 54 1HB ALA 54 -7.970 5.970 -3.065 390 HB2 ALA 54 2HB ALA 54 -6.795 6.487 -1.856 391 HB3 ALA 54 3HB ALA 54 -7.262 4.792 -1.960 392 H ALA 55 H ALA 55 -7.077 6.245 -5.638 393 HA ALA 55 HA ALA 55 -8.214 3.771 -6.518 394 HB1 ALA 55 1HB ALA 55 -8.759 4.990 -8.573 395 HB2 ALA 55 2HB ALA 55 -7.703 6.312 -8.076 396 HB3 ALA 55 3HB ALA 55 -9.159 5.951 -7.150 397 H GLU 56 H GLU 56 -5.372 5.634 -7.549 398 HA GLU 56 HA GLU 56 -4.588 3.887 -9.632 399 HB2 GLU 56 2HB GLU 56 -3.018 5.829 -7.934 400 HB3 GLU 56 1HB GLU 56 -2.312 4.949 -9.289 401 HG2 GLU 56 2HG GLU 56 -4.778 6.694 -9.513 402 HG3 GLU 56 1HG GLU 56 -3.146 7.248 -9.887 403 H LEU 57 H LEU 57 -3.618 4.049 -6.220 404 HA LEU 57 HA LEU 57 -1.685 2.010 -6.246 405 HB2 LEU 57 2HB LEU 57 -3.445 3.238 -4.160 406 HB3 LEU 57 1HB LEU 57 -2.589 1.754 -3.750 407 HG LEU 57 HG LEU 57 -0.461 2.859 -4.510 408 HD11 LEU 57 1HD1 LEU 57 -2.212 5.321 -4.560 409 HD12 LEU 57 2HD1 LEU 57 -1.496 4.548 -5.973 410 HD13 LEU 57 3HD1 LEU 57 -0.462 5.297 -4.758 411 HD21 LEU 57 3HD2 LEU 57 -1.922 4.398 -2.345 412 HD22 LEU 57 1HD2 LEU 57 -0.181 4.128 -2.476 413 HD23 LEU 57 2HD2 LEU 57 -1.258 2.779 -2.116 414 H GLU 58 H GLU 58 -5.075 1.741 -5.157 415 HA GLU 58 HA GLU 58 -5.026 -1.084 -4.981 416 HB2 GLU 58 2HB GLU 58 -7.483 -0.931 -4.952 417 HB3 GLU 58 1HB GLU 58 -6.708 0.201 -3.855 418 HG2 GLU 58 2HG GLU 58 -8.037 1.774 -4.859 419 HG3 GLU 58 1HG GLU 58 -6.856 1.708 -6.155 420 H ASP 59 H ASP 59 -5.841 1.085 -7.636 421 HA ASP 59 HA ASP 59 -6.991 -0.814 -9.387 422 HB2 ASP 59 2HB ASP 59 -7.263 1.534 -9.838 423 HB3 ASP 59 1HB ASP 59 -5.519 1.768 -9.943 424 H HIS 60 H HIS 60 -3.712 -0.113 -8.526 425 HA HIS 60 HA HIS 60 -2.476 -1.315 -10.820 426 HB2 HIS 60 2HB HIS 60 -1.563 -0.301 -8.176 427 HB3 HIS 60 1HB HIS 60 -0.537 -1.530 -8.911 428 HD1 HIS 60 1HD HIS 60 -0.320 -0.911 -11.711 429 HD2 HIS 60 2HD HIS 60 -0.746 2.162 -8.937 430 HE1 HIS 60 1HE HIS 60 0.546 1.183 -12.831 431 HE2 HIS 60 2HE HIS 60 0.294 3.074 -11.149 432 H LEU 61 H LEU 61 -3.488 -2.537 -7.664 433 HA LEU 61 HA LEU 61 -2.541 -5.233 -8.369 434 HB2 LEU 61 2HB LEU 61 -3.792 -4.351 -5.758 435 HB3 LEU 61 1HB LEU 61 -2.856 -5.806 -6.062 436 HG LEU 61 HG LEU 61 -1.382 -4.289 -4.962 437 HD11 LEU 61 1HD1 LEU 61 0.386 -4.099 -6.523 438 HD12 LEU 61 2HD1 LEU 61 -0.725 -3.866 -7.877 439 HD13 LEU 61 3HD1 LEU 61 -0.586 -5.450 -7.115 440 HD21 LEU 61 3HD2 LEU 61 -1.550 -2.084 -6.927 441 HD22 LEU 61 1HD2 LEU 61 -1.452 -2.032 -5.175 442 HD23 LEU 61 2HD2 LEU 61 -3.004 -2.304 -5.949 443 H ASP 62 H ASP 62 -4.921 -3.799 -9.570 444 HA ASP 62 HA ASP 62 -7.119 -4.225 -10.085 445 HB2 ASP 62 2HB ASP 62 -5.883 -6.953 -9.805 446 HB3 ASP 62 1HB ASP 62 -7.530 -6.713 -10.386 447 H VAL 63 H VAL 63 -7.364 -3.350 -7.702 448 HA VAL 63 HA VAL 63 -9.305 -5.114 -6.410 449 HB VAL 63 HB VAL 63 -8.159 -4.520 -4.147 450 HG11 VAL 63 1HG1 VAL 63 -8.288 -6.792 -5.147 451 HG12 VAL 63 2HG1 VAL 63 -6.781 -6.517 -4.272 452 HG13 VAL 63 3HG1 VAL 63 -6.801 -6.456 -6.035 453 HG21 VAL 63 3HG2 VAL 63 -6.511 -2.946 -4.958 454 HG22 VAL 63 1HG2 VAL 63 -5.916 -4.103 -6.141 455 HG23 VAL 63 2HG2 VAL 63 -5.654 -4.385 -4.421 456 H SER 64 H SER 64 -10.635 -3.986 -4.857 457 HA SER 64 HA SER 64 -10.614 -1.040 -5.202 458 HB2 SER 64 2HB SER 64 -12.509 -2.208 -6.357 459 HB3 SER 64 1HB SER 64 -13.032 -2.816 -4.787 460 HG SER 64 HG SER 64 -13.046 -0.552 -4.128 461 H LEU 65 H LEU 65 -10.965 0.190 -3.410 462 HA LEU 65 HA LEU 65 -11.026 -1.213 -0.799 463 HB2 LEU 65 2HB LEU 65 -9.902 1.332 -0.357 464 HB3 LEU 65 1HB LEU 65 -9.018 -0.193 -0.424 465 HG LEU 65 HG LEU 65 -8.797 0.092 -2.888 466 HD11 LEU 65 1HD1 LEU 65 -10.115 1.595 -3.952 467 HD12 LEU 65 2HD1 LEU 65 -9.279 2.907 -3.121 468 HD13 LEU 65 3HD1 LEU 65 -10.730 2.192 -2.412 469 HD21 LEU 65 3HD2 LEU 65 -7.730 2.192 -0.995 470 HD22 LEU 65 1HD2 LEU 65 -7.219 2.121 -2.682 471 HD23 LEU 65 2HD2 LEU 65 -6.916 0.752 -1.610 472 H ASP 66 H ASP 66 -11.856 0.180 0.982 473 HA ASP 66 HA ASP 66 -14.280 1.570 0.054 474 HB2 ASP 66 2HB ASP 66 -13.563 -0.106 2.368 475 HB3 ASP 66 1HB ASP 66 -14.536 1.303 2.790 476 HA PRO 67 HA PRO 67 -12.911 5.563 1.213 477 HB2 PRO 67 2HB PRO 67 -15.155 6.567 2.506 478 HB3 PRO 67 1HB PRO 67 -14.991 6.435 0.744 479 HG2 PRO 67 2HG PRO 67 -16.377 4.606 2.657 480 HG3 PRO 67 1HG PRO 67 -16.891 5.156 1.052 481 HD2 PRO 67 2HD PRO 67 -15.823 2.702 1.426 482 HD3 PRO 67 1HD PRO 67 -15.502 3.635 -0.056 483 H THR 68 H THR 68 -15.025 4.682 3.944 484 HA THR 68 HA THR 68 -13.388 5.881 5.901 485 HB THR 68 HB THR 68 -14.790 4.631 7.524 486 HG1 THR 68 1HG THR 68 -15.344 2.756 6.724 487 HG21 THR 68 3HG2 THR 68 -16.923 5.634 6.856 488 HG22 THR 68 1HG2 THR 68 -16.346 5.797 5.197 489 HG23 THR 68 2HG2 THR 68 -15.596 6.737 6.487 490 H LEU 69 H LEU 69 -13.165 2.877 4.278 491 HA LEU 69 HA LEU 69 -11.723 1.434 6.290 492 HB2 LEU 69 2HB LEU 69 -12.922 0.322 4.461 493 HB3 LEU 69 1HB LEU 69 -11.804 1.030 3.293 494 HG LEU 69 HG LEU 69 -10.805 -0.615 5.617 495 HD11 LEU 69 1HD1 LEU 69 -11.880 -1.580 2.971 496 HD12 LEU 69 2HD1 LEU 69 -12.316 -2.118 4.592 497 HD13 LEU 69 3HD1 LEU 69 -10.737 -2.528 3.922 498 HD21 LEU 69 3HD2 LEU 69 -9.156 -1.075 3.435 499 HD22 LEU 69 1HD2 LEU 69 -8.852 0.118 4.699 500 HD23 LEU 69 2HD2 LEU 69 -9.628 0.611 3.192 501 H ILE 70 H ILE 70 -10.768 3.377 3.469 502 HA ILE 70 HA ILE 70 -8.026 2.903 3.527 503 HB ILE 70 HB ILE 70 -9.612 5.356 2.773 504 HG12 ILE 70 2HG1 ILE 70 -8.031 3.516 0.972 505 HG13 ILE 70 1HG1 ILE 70 -9.664 3.092 1.472 506 HG21 ILE 70 1HG2 ILE 70 -6.637 4.846 2.657 507 HG22 ILE 70 2HG2 ILE 70 -7.478 6.252 3.309 508 HG23 ILE 70 3HG2 ILE 70 -7.428 5.984 1.565 509 HD11 ILE 70 3HD1 ILE 70 -9.775 4.269 -0.657 510 HD12 ILE 70 1HD1 ILE 70 -8.821 5.605 -0.004 511 HD13 ILE 70 2HD1 ILE 70 -10.453 5.306 0.599 512 H TRP 71 H TRP 71 -9.983 5.098 5.470 513 HA TRP 71 HA TRP 71 -7.702 6.291 6.769 514 HB2 TRP 71 2HB TRP 71 -10.677 6.394 7.302 515 HB3 TRP 71 1HB TRP 71 -9.494 7.233 8.306 516 HD1 TRP 71 HD TRP 71 -11.587 7.775 5.381 517 HE1 TRP 71 1HE TRP 71 -10.772 9.793 3.998 518 HE3 TRP 71 3HE TRP 71 -6.954 8.434 7.427 519 HZ2 TRP 71 2HZ TRP 71 -8.455 11.460 3.780 520 HZ3 TRP 71 3HZ TRP 71 -5.465 10.240 6.616 521 HH2 TRP 71 HH TRP 71 -6.207 11.755 4.799 522 H ASP 72 H ASP 72 -9.162 3.299 7.005 523 HA ASP 72 HA ASP 72 -8.762 2.986 9.889 524 HB2 ASP 72 2HB ASP 72 -9.778 1.072 7.768 525 HB3 ASP 72 1HB ASP 72 -9.586 0.662 9.472 526 H HIS 73 H HIS 73 -7.346 2.008 6.828 527 HA HIS 73 HA HIS 73 -5.066 0.804 8.297 528 HB2 HIS 73 2HB HIS 73 -5.862 0.167 5.453 529 HB3 HIS 73 1HB HIS 73 -4.750 -0.722 6.495 530 HD1 HIS 73 1HD HIS 73 -6.705 -0.543 9.044 531 HD2 HIS 73 2HD HIS 73 -7.705 -1.971 5.258 532 HE1 HIS 73 1HE HIS 73 -8.705 -2.066 9.357 533 HE2 HIS 73 2HE HIS 73 -9.317 -2.954 7.059 534 HA PRO 74 HA PRO 74 -3.761 4.538 5.691 535 HB2 PRO 74 2HB PRO 74 -2.922 6.140 7.747 536 HB3 PRO 74 1HB PRO 74 -4.593 6.126 7.152 537 HG2 PRO 74 2HG PRO 74 -3.431 4.752 9.533 538 HG3 PRO 74 1HG PRO 74 -4.958 5.642 9.380 539 HD2 PRO 74 2HD PRO 74 -4.871 2.909 9.283 540 HD3 PRO 74 1HD PRO 74 -6.048 3.878 8.366 541 H THR 75 H THR 75 -2.481 2.222 7.681 542 HA THR 75 HA THR 75 0.314 3.125 7.272 543 HB THR 75 HB THR 75 0.833 1.379 9.037 544 HG1 THR 75 1HG THR 75 -0.868 0.138 9.305 545 HG21 THR 75 3HG2 THR 75 0.177 2.856 10.872 546 HG22 THR 75 1HG2 THR 75 -1.026 3.636 9.845 547 HG23 THR 75 2HG2 THR 75 0.692 3.827 9.491 548 H ILE 76 H ILE 76 1.862 1.541 6.659 549 HA ILE 76 HA ILE 76 0.995 -0.104 4.496 550 HB ILE 76 HB ILE 76 3.658 0.105 5.922 551 HG12 ILE 76 2HG1 ILE 76 2.554 1.160 3.299 552 HG13 ILE 76 1HG1 ILE 76 3.063 2.110 4.694 553 HG21 ILE 76 1HG2 ILE 76 4.576 -1.173 3.991 554 HG22 ILE 76 2HG2 ILE 76 2.937 -1.423 3.392 555 HG23 ILE 76 3HG2 ILE 76 3.444 -2.147 4.916 556 HD11 ILE 76 3HD1 ILE 76 5.017 2.292 3.517 557 HD12 ILE 76 1HD1 ILE 76 4.688 0.844 2.571 558 HD13 ILE 76 2HD1 ILE 76 5.349 0.697 4.195 559 H ASP 77 H ASP 77 2.029 -0.776 7.819 560 HA ASP 77 HA ASP 77 2.211 -3.533 7.728 561 HB2 ASP 77 2HB ASP 77 2.808 -2.251 9.711 562 HB3 ASP 77 1HB ASP 77 1.122 -1.793 9.946 563 H ALA 78 H ALA 78 -0.702 -1.584 8.433 564 HA ALA 78 HA ALA 78 -2.438 -3.823 8.611 565 HB1 ALA 78 1HB ALA 78 -4.238 -2.087 8.381 566 HB2 ALA 78 2HB ALA 78 -2.976 -0.883 8.109 567 HB3 ALA 78 3HB ALA 78 -3.066 -1.734 9.651 568 H LEU 79 H LEU 79 -1.773 -1.479 6.024 569 HA LEU 79 HA LEU 79 -3.634 -2.452 4.185 570 HB2 LEU 79 2HB LEU 79 -1.909 -0.379 4.175 571 HB3 LEU 79 1HB LEU 79 -1.040 -1.471 3.109 572 HG LEU 79 HG LEU 79 -2.470 -0.132 1.731 573 HD11 LEU 79 1HD1 LEU 79 -4.087 -2.660 1.974 574 HD12 LEU 79 2HD1 LEU 79 -2.419 -2.731 1.425 575 HD13 LEU 79 3HD1 LEU 79 -3.600 -1.788 0.521 576 HD21 LEU 79 3HD2 LEU 79 -4.089 0.128 3.936 577 HD22 LEU 79 1HD2 LEU 79 -5.038 -1.000 2.968 578 HD23 LEU 79 2HD2 LEU 79 -4.585 0.571 2.304 579 H SER 80 H SER 80 -0.220 -3.326 4.657 580 HA SER 80 HA SER 80 -0.004 -5.150 2.538 581 HB2 SER 80 2HB SER 80 1.430 -5.068 5.199 582 HB3 SER 80 1HB SER 80 1.900 -6.092 3.844 583 HG SER 80 HG SER 80 2.197 -4.213 2.611 584 H THR 81 H THR 81 -0.842 -5.647 5.957 585 HA THR 81 HA THR 81 -1.131 -8.423 5.935 586 HB THR 81 HB THR 81 -2.856 -6.472 7.473 587 HG1 THR 81 1HG THR 81 -0.906 -5.914 8.110 588 HG21 THR 81 3HG2 THR 81 -2.014 -9.334 8.000 589 HG22 THR 81 1HG2 THR 81 -3.634 -8.794 7.555 590 HG23 THR 81 2HG2 THR 81 -2.944 -8.327 9.112 591 H ALA 82 H ALA 82 -3.459 -5.904 5.052 592 HA ALA 82 HA ALA 82 -5.615 -7.693 4.562 593 HB1 ALA 82 1HB ALA 82 -5.833 -5.223 4.957 594 HB2 ALA 82 2HB ALA 82 -6.715 -5.812 3.547 595 HB3 ALA 82 3HB ALA 82 -5.181 -4.966 3.339 596 H LEU 83 H LEU 83 -3.101 -6.246 2.453 597 HA LEU 83 HA LEU 83 -4.158 -7.139 0.018 598 HB2 LEU 83 2HB LEU 83 -2.156 -5.485 0.647 599 HB3 LEU 83 1HB LEU 83 -1.186 -6.937 0.393 600 HG LEU 83 HG LEU 83 -3.138 -5.728 -1.582 601 HD11 LEU 83 1HD1 LEU 83 -0.947 -5.495 -2.897 602 HD12 LEU 83 2HD1 LEU 83 -0.129 -5.793 -1.365 603 HD13 LEU 83 3HD1 LEU 83 -1.180 -4.389 -1.544 604 HD21 LEU 83 3HD2 LEU 83 -1.944 -7.495 -3.080 605 HD22 LEU 83 1HD2 LEU 83 -3.209 -8.048 -1.983 606 HD23 LEU 83 2HD2 LEU 83 -1.510 -8.269 -1.555 607 H VAL 84 H VAL 84 -1.604 -8.573 2.073 608 HA VAL 84 HA VAL 84 -1.186 -10.854 0.506 609 HB VAL 84 HB VAL 84 0.308 -10.149 2.346 610 HG11 VAL 84 1HG1 VAL 84 -1.473 -9.489 3.912 611 HG12 VAL 84 2HG1 VAL 84 -0.322 -10.594 4.661 612 HG13 VAL 84 3HG1 VAL 84 -1.903 -11.183 4.139 613 HG21 VAL 84 3HG2 VAL 84 0.548 -12.427 1.610 614 HG22 VAL 84 1HG2 VAL 84 -0.863 -12.939 2.535 615 HG23 VAL 84 2HG2 VAL 84 0.603 -12.440 3.372 616 H ALA 85 H ALA 85 -3.598 -10.101 2.945 617 HA ALA 85 HA ALA 85 -4.610 -12.677 3.387 618 HB1 ALA 85 1HB ALA 85 -5.207 -10.503 4.603 619 HB2 ALA 85 2HB ALA 85 -6.537 -11.621 4.286 620 HB3 ALA 85 3HB ALA 85 -6.322 -10.196 3.269 621 H GLU 86 H GLU 86 -5.226 -10.336 0.820 622 HA GLU 86 HA GLU 86 -7.442 -11.531 -0.404 623 HB2 GLU 86 2HB GLU 86 -5.113 -10.171 -1.775 624 HB3 GLU 86 1HB GLU 86 -6.718 -10.424 -2.461 625 HG2 GLU 86 2HG GLU 86 -6.169 -8.870 0.070 626 HG3 GLU 86 1HG GLU 86 -6.396 -8.129 -1.511 627 H LEU 87 H LEU 87 -4.174 -12.613 -0.213 628 HA LEU 87 HA LEU 87 -4.504 -14.517 -2.428 629 HB2 LEU 87 2HB LEU 87 -2.361 -13.140 -2.006 630 HB3 LEU 87 1HB LEU 87 -2.067 -14.259 -0.675 631 HG LEU 87 HG LEU 87 -2.489 -16.122 -2.458 632 HD11 LEU 87 1HD1 LEU 87 -1.987 -13.680 -4.175 633 HD12 LEU 87 2HD1 LEU 87 -3.292 -14.857 -4.316 634 HD13 LEU 87 3HD1 LEU 87 -1.643 -15.316 -4.740 635 HD21 LEU 87 3HD2 LEU 87 0.002 -14.394 -2.582 636 HD22 LEU 87 1HD2 LEU 87 -0.106 -16.086 -3.074 637 HD23 LEU 87 2HD2 LEU 87 -0.316 -15.643 -1.378 638 H ARG 88 H ARG 88 -4.762 -14.344 0.980 639 HA ARG 88 HA ARG 88 -4.457 -17.252 1.313 640 HB2 ARG 88 2HB ARG 88 -4.915 -15.069 3.357 641 HB3 ARG 88 1HB ARG 88 -4.585 -16.765 3.712 642 HG2 ARG 88 2HG ARG 88 -2.682 -15.136 2.026 643 HG3 ARG 88 1HG ARG 88 -2.592 -15.101 3.786 644 HD2 ARG 88 2HD ARG 88 -2.395 -17.594 3.783 645 HD3 ARG 88 1HD ARG 88 -2.360 -17.559 2.025 646 HE ARG 88 HE ARG 88 -0.362 -15.857 3.184 647 HH11 ARG 88 1HH2 ARG 88 -1.229 -19.100 2.341 648 HH12 ARG 88 2HH2 ARG 88 0.407 -19.638 2.163 649 HH21 ARG 88 1HH1 ARG 88 1.785 -16.554 2.947 650 HH22 ARG 88 2HH1 ARG 88 2.114 -18.195 2.505 651 H SER 89 H SER 89 -6.821 -15.190 0.386 652 HA SER 89 HA SER 89 -8.898 -17.097 1.062 653 HB2 SER 89 2HB SER 89 -8.886 -15.695 3.073 654 HB3 SER 89 1HB SER 89 -9.037 -14.248 2.080 655 HG SER 89 HG SER 89 -11.093 -14.630 1.917 656 H ALA 90 H ALA 90 -10.792 -16.816 -0.190 657 HA ALA 90 HA ALA 90 -10.868 -14.640 -2.141 658 HB1 ALA 90 1HB ALA 90 -10.784 -17.544 -2.995 659 HB2 ALA 90 2HB ALA 90 -9.471 -16.387 -3.207 660 HB3 ALA 90 3HB ALA 90 -10.999 -16.150 -4.055 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 -9.522 -11.153 -14.165 2 H2 GLY 1 2HT GLY 1 -8.210 -11.624 -13.193 3 H3 GLY 1 3HT GLY 1 -9.226 -12.799 -13.879 4 HA2 GLY 1 2HA GLY 1 -8.407 -12.474 -16.015 5 HA3 GLY 1 1HA GLY 1 -7.703 -10.919 -15.571 6 H HIS 2 H HIS 2 -7.311 -14.374 -15.500 7 HA HIS 2 HA HIS 2 -5.560 -15.734 -14.861 8 HB2 HIS 2 2HB HIS 2 -4.101 -13.309 -15.927 9 HB3 HIS 2 1HB HIS 2 -3.322 -14.850 -15.570 10 HD1 HIS 2 1HD HIS 2 -5.699 -13.214 -17.968 11 HD2 HIS 2 2HD HIS 2 -3.967 -16.961 -17.380 12 HE1 HIS 2 1HE HIS 2 -6.172 -14.559 -20.061 13 HE2 HIS 2 2HE HIS 2 -5.122 -16.846 -19.718 14 H MET 3 H MET 3 -6.568 -13.545 -12.924 15 HA MET 3 HA MET 3 -6.079 -12.814 -10.799 16 HB2 MET 3 2HB MET 3 -4.239 -15.217 -10.905 17 HB3 MET 3 1HB MET 3 -4.685 -14.348 -9.439 18 HG2 MET 3 2HG MET 3 -6.675 -15.649 -11.321 19 HG3 MET 3 1HG MET 3 -6.080 -16.396 -9.840 20 HE1 MET 3 3HE MET 3 -7.673 -14.663 -6.983 21 HE2 MET 3 1HE MET 3 -6.000 -14.537 -7.538 22 HE3 MET 3 2HE MET 3 -6.856 -16.073 -7.651 23 H SER 4 H SER 4 -4.943 -11.139 -12.416 24 HA SER 4 HA SER 4 -3.220 -9.652 -12.727 25 HB2 SER 4 2HB SER 4 -2.108 -10.600 -10.094 26 HB3 SER 4 1HB SER 4 -2.048 -8.986 -10.794 27 HG SER 4 HG SER 4 -4.430 -10.334 -10.039 28 H ASP 5 H ASP 5 -0.776 -9.460 -12.861 29 HA ASP 5 HA ASP 5 0.355 -12.052 -13.743 30 HB2 ASP 5 2HB ASP 5 0.959 -9.203 -14.557 31 HB3 ASP 5 1HB ASP 5 1.922 -10.592 -15.061 32 H LEU 6 H LEU 6 0.374 -10.136 -11.124 33 HA LEU 6 HA LEU 6 3.145 -9.775 -10.628 34 HB2 LEU 6 2HB LEU 6 1.250 -8.577 -9.456 35 HB3 LEU 6 1HB LEU 6 0.990 -10.058 -8.534 36 HG LEU 6 HG LEU 6 3.834 -9.311 -8.492 37 HD11 LEU 6 1HD1 LEU 6 3.011 -7.025 -8.722 38 HD12 LEU 6 2HD1 LEU 6 3.568 -7.294 -7.069 39 HD13 LEU 6 3HD1 LEU 6 1.840 -7.291 -7.431 40 HD21 LEU 6 3HD2 LEU 6 3.561 -9.705 -6.135 41 HD22 LEU 6 1HD2 LEU 6 2.518 -10.863 -6.962 42 HD23 LEU 6 2HD2 LEU 6 1.821 -9.424 -6.225 43 H SER 7 H SER 7 1.376 -12.576 -10.824 44 HA SER 7 HA SER 7 2.161 -14.741 -10.578 45 HB2 SER 7 2HB SER 7 4.460 -13.585 -10.033 46 HB3 SER 7 1HB SER 7 4.019 -13.915 -8.360 47 HG SER 7 HG SER 7 5.228 -15.603 -9.437 48 H THR 8 H THR 8 0.630 -15.903 -9.634 49 HA THR 8 HA THR 8 -0.789 -15.038 -7.336 50 HB THR 8 HB THR 8 -0.733 -17.917 -8.217 51 HG1 THR 8 1HG THR 8 -0.985 -17.074 -10.146 52 HG21 THR 8 3HG2 THR 8 -3.094 -16.153 -7.558 53 HG22 THR 8 1HG2 THR 8 -2.161 -16.956 -6.294 54 HG23 THR 8 2HG2 THR 8 -2.996 -17.913 -7.517 55 H ALA 9 H ALA 9 2.126 -15.270 -6.958 56 HA ALA 9 HA ALA 9 2.063 -16.879 -4.503 57 HB1 ALA 9 1HB ALA 9 4.437 -17.628 -5.176 58 HB2 ALA 9 2HB ALA 9 3.954 -17.171 -6.816 59 HB3 ALA 9 3HB ALA 9 3.062 -18.423 -5.946 60 HA PRO 10 HA PRO 10 4.368 -12.796 -4.197 61 HB2 PRO 10 2HB PRO 10 2.501 -11.230 -2.979 62 HB3 PRO 10 1HB PRO 10 2.573 -11.413 -4.739 63 HG2 PRO 10 2HG PRO 10 0.701 -12.653 -2.791 64 HG3 PRO 10 1HG PRO 10 0.413 -12.105 -4.453 65 HD2 PRO 10 2HD PRO 10 0.850 -14.778 -3.686 66 HD3 PRO 10 1HD PRO 10 0.988 -14.136 -5.329 67 H THR 11 H THR 11 5.481 -12.212 -2.296 68 HA THR 11 HA THR 11 4.743 -13.712 0.153 69 HB THR 11 HB THR 11 7.432 -12.502 -0.498 70 HG1 THR 11 1HG THR 11 7.381 -13.992 -2.008 71 HG21 THR 11 3HG2 THR 11 6.579 -14.738 1.353 72 HG22 THR 11 1HG2 THR 11 6.897 -13.080 1.862 73 HG23 THR 11 2HG2 THR 11 8.203 -14.067 1.203 74 H LEU 12 H LEU 12 4.776 -12.630 2.130 75 HA LEU 12 HA LEU 12 3.646 -10.166 2.362 76 HB2 LEU 12 2HB LEU 12 5.566 -11.583 4.205 77 HB3 LEU 12 1HB LEU 12 4.800 -10.058 4.645 78 HG LEU 12 HG LEU 12 2.557 -11.154 4.103 79 HD11 LEU 12 1HD1 LEU 12 3.158 -13.047 2.795 80 HD12 LEU 12 2HD1 LEU 12 2.694 -13.724 4.354 81 HD13 LEU 12 3HD1 LEU 12 4.398 -13.554 3.939 82 HD21 LEU 12 3HD2 LEU 12 2.555 -12.462 6.266 83 HD22 LEU 12 1HD2 LEU 12 3.206 -10.829 6.407 84 HD23 LEU 12 2HD2 LEU 12 4.299 -12.213 6.349 85 H ASP 13 H ASP 13 6.991 -10.883 1.771 86 HA ASP 13 HA ASP 13 7.956 -8.231 2.304 87 HB2 ASP 13 2HB ASP 13 9.358 -10.227 0.552 88 HB3 ASP 13 1HB ASP 13 10.049 -8.970 1.571 89 H SER 14 H SER 14 6.760 -9.957 -0.555 90 HA SER 14 HA SER 14 7.690 -8.101 -2.480 91 HB2 SER 14 2HB SER 14 5.168 -9.630 -2.814 92 HB3 SER 14 1HB SER 14 6.431 -9.323 -3.993 93 HG SER 14 HG SER 14 7.775 -10.730 -2.711 94 H LEU 15 H LEU 15 4.683 -8.341 -0.588 95 HA LEU 15 HA LEU 15 3.507 -6.101 -1.887 96 HB2 LEU 15 2HB LEU 15 2.744 -7.249 0.788 97 HB3 LEU 15 1HB LEU 15 1.749 -6.280 -0.283 98 HG LEU 15 HG LEU 15 1.003 -8.452 -0.721 99 HD11 LEU 15 1HD1 LEU 15 1.782 -7.224 -2.820 100 HD12 LEU 15 2HD1 LEU 15 1.585 -8.968 -2.967 101 HD13 LEU 15 3HD1 LEU 15 3.199 -8.276 -2.786 102 HD21 LEU 15 3HD2 LEU 15 2.149 -10.264 -0.062 103 HD22 LEU 15 1HD2 LEU 15 3.529 -9.239 0.303 104 HD23 LEU 15 2HD2 LEU 15 3.389 -9.982 -1.288 105 H ARG 16 H ARG 16 4.476 -6.547 1.476 106 HA ARG 16 HA ARG 16 4.391 -4.051 2.459 107 HB2 ARG 16 2HB ARG 16 5.313 -5.890 3.725 108 HB3 ARG 16 1HB ARG 16 6.739 -5.926 2.694 109 HG2 ARG 16 2HG ARG 16 6.129 -3.291 3.976 110 HG3 ARG 16 1HG ARG 16 6.648 -4.568 5.067 111 HD2 ARG 16 2HD ARG 16 8.612 -4.919 3.393 112 HD3 ARG 16 1HD ARG 16 8.164 -3.340 2.758 113 HE ARG 16 HE ARG 16 9.380 -3.899 5.333 114 HH11 ARG 16 1HH2 ARG 16 7.585 -1.709 3.347 115 HH12 ARG 16 2HH2 ARG 16 8.069 -0.300 4.228 116 HH21 ARG 16 1HH1 ARG 16 10.021 -2.074 6.483 117 HH22 ARG 16 2HH1 ARG 16 9.453 -0.509 6.013 118 H VAL 17 H VAL 17 7.160 -5.225 0.482 119 HA VAL 17 HA VAL 17 8.532 -2.769 0.327 120 HB VAL 17 HB VAL 17 9.675 -3.775 -1.616 121 HG11 VAL 17 1HG1 VAL 17 9.158 -5.381 0.882 122 HG12 VAL 17 2HG1 VAL 17 10.654 -4.642 0.321 123 HG13 VAL 17 3HG1 VAL 17 10.083 -6.148 -0.412 124 HG21 VAL 17 3HG2 VAL 17 7.346 -5.637 -1.410 125 HG22 VAL 17 1HG2 VAL 17 8.816 -6.154 -2.203 126 HG23 VAL 17 2HG2 VAL 17 7.903 -4.782 -2.832 127 H TRP 18 H TRP 18 5.975 -4.182 -1.727 128 HA TRP 18 HA TRP 18 6.047 -2.242 -3.767 129 HB2 TRP 18 2HB TRP 18 4.357 -3.522 -4.589 130 HB3 TRP 18 1HB TRP 18 4.465 -4.479 -3.122 131 HD1 TRP 18 HD TRP 18 2.492 -4.211 -1.335 132 HE1 TRP 18 1HE TRP 18 0.329 -2.904 -1.283 133 HE3 TRP 18 3HE TRP 18 3.138 -1.237 -5.452 134 HZ2 TRP 18 2HZ TRP 18 -0.977 -0.924 -2.722 135 HZ3 TRP 18 3HZ TRP 18 1.366 0.366 -6.058 136 HH2 TRP 18 HH TRP 18 -0.693 0.503 -4.676 137 H LEU 19 H LEU 19 4.046 -2.346 -0.818 138 HA LEU 19 HA LEU 19 2.613 0.014 -1.220 139 HB2 LEU 19 2HB LEU 19 3.260 -1.769 1.013 140 HB3 LEU 19 1HB LEU 19 3.015 -0.114 1.535 141 HG LEU 19 HG LEU 19 0.966 -1.105 -0.383 142 HD11 LEU 19 1HD1 LEU 19 -0.216 -2.449 1.189 143 HD12 LEU 19 2HD1 LEU 19 1.009 -2.193 2.427 144 HD13 LEU 19 3HD1 LEU 19 1.386 -3.123 0.975 145 HD21 LEU 19 3HD2 LEU 19 0.472 0.097 2.328 146 HD22 LEU 19 1HD2 LEU 19 -0.461 0.267 0.844 147 HD23 LEU 19 2HD2 LEU 19 1.076 1.099 1.013 148 H VAL 20 H VAL 20 5.530 -0.350 0.854 149 HA VAL 20 HA VAL 20 5.838 2.402 1.267 150 HB VAL 20 HB VAL 20 6.969 0.713 2.627 151 HG11 VAL 20 1HG1 VAL 20 7.379 -0.772 0.551 152 HG12 VAL 20 2HG1 VAL 20 8.624 -0.746 1.792 153 HG13 VAL 20 3HG1 VAL 20 8.836 0.188 0.312 154 HG21 VAL 20 3HG2 VAL 20 9.018 2.336 1.104 155 HG22 VAL 20 1HG2 VAL 20 9.128 1.780 2.770 156 HG23 VAL 20 2HG2 VAL 20 7.950 3.016 2.330 157 H ASP 21 H ASP 21 7.386 0.250 -1.126 158 HA ASP 21 HA ASP 21 8.946 2.222 -2.365 159 HB2 ASP 21 2HB ASP 21 9.249 -0.194 -2.748 160 HB3 ASP 21 1HB ASP 21 7.703 -0.251 -3.592 161 H CYS 22 H CYS 22 5.604 1.257 -2.872 162 HA CYS 22 HA CYS 22 5.108 2.639 -5.268 163 HB2 CYS 22 2HB CYS 22 3.517 1.026 -4.377 164 HB3 CYS 22 1HB CYS 22 3.229 2.044 -2.968 165 HG CYS 22 HG CYS 22 1.661 2.306 -5.393 166 H VAL 23 H VAL 23 4.632 3.669 -1.884 167 HA VAL 23 HA VAL 23 3.721 6.273 -2.500 168 HB VAL 23 HB VAL 23 5.261 5.347 -0.093 169 HG11 VAL 23 1HG1 VAL 23 4.674 7.305 1.002 170 HG12 VAL 23 2HG1 VAL 23 3.201 7.525 0.061 171 HG13 VAL 23 3HG1 VAL 23 4.760 7.951 -0.632 172 HG21 VAL 23 3HG2 VAL 23 2.268 5.477 -0.519 173 HG22 VAL 23 1HG2 VAL 23 3.093 4.937 0.945 174 HG23 VAL 23 2HG2 VAL 23 3.225 3.999 -0.545 175 H ALA 24 H ALA 24 7.007 5.048 -1.768 176 HA ALA 24 HA ALA 24 8.412 7.419 -1.801 177 HB1 ALA 24 1HB ALA 24 9.240 4.997 -1.425 178 HB2 ALA 24 2HB ALA 24 10.346 6.141 -2.187 179 HB3 ALA 24 3HB ALA 24 9.481 4.961 -3.171 180 H GLY 25 H GLY 25 7.637 5.349 -4.580 181 HA2 GLY 25 2HA GLY 25 8.809 7.011 -6.540 182 HA3 GLY 25 1HA GLY 25 7.553 5.812 -6.843 183 H HIS 26 H HIS 26 5.475 6.845 -5.291 184 HA HIS 26 HA HIS 26 4.279 8.677 -7.017 185 HB2 HIS 26 2HB HIS 26 3.753 7.961 -4.133 186 HB3 HIS 26 1HB HIS 26 2.757 9.141 -4.983 187 HD1 HIS 26 1HD HIS 26 2.190 8.030 -7.616 188 HD2 HIS 26 2HD HIS 26 2.481 5.531 -4.299 189 HE1 HIS 26 1HE HIS 26 0.958 5.901 -8.214 190 HE2 HIS 26 2HE HIS 26 1.132 4.363 -6.200 191 H LEU 27 H LEU 27 5.715 9.365 -3.779 192 HA LEU 27 HA LEU 27 5.503 12.217 -4.252 193 HB2 LEU 27 2HB LEU 27 6.915 10.718 -2.038 194 HB3 LEU 27 1HB LEU 27 6.467 12.425 -2.034 195 HG LEU 27 HG LEU 27 4.525 10.100 -2.215 196 HD11 LEU 27 1HD1 LEU 27 3.832 10.986 0.073 197 HD12 LEU 27 2HD1 LEU 27 5.313 11.944 0.055 198 HD13 LEU 27 3HD1 LEU 27 5.404 10.182 0.017 199 HD21 LEU 27 3HD2 LEU 27 3.421 11.854 -3.305 200 HD22 LEU 27 1HD2 LEU 27 4.215 13.097 -2.336 201 HD23 LEU 27 2HD2 LEU 27 2.922 12.122 -1.637 202 H GLY 28 H GLY 28 8.001 9.748 -4.309 203 HA2 GLY 28 2HA GLY 28 9.912 9.844 -5.713 204 HA3 GLY 28 1HA GLY 28 9.826 11.603 -5.685 205 H LEU 29 H LEU 29 9.255 10.793 -2.571 206 HA LEU 29 HA LEU 29 11.837 11.578 -1.680 207 HB2 LEU 29 2HB LEU 29 9.643 10.285 -0.051 208 HB3 LEU 29 1HB LEU 29 10.949 11.302 0.546 209 HG LEU 29 HG LEU 29 8.752 12.181 -1.350 210 HD11 LEU 29 1HD1 LEU 29 9.229 12.604 1.606 211 HD12 LEU 29 2HD1 LEU 29 7.797 11.938 0.820 212 HD13 LEU 29 3HD1 LEU 29 8.173 13.655 0.662 213 HD21 LEU 29 3HD2 LEU 29 10.611 13.534 -1.884 214 HD22 LEU 29 1HD2 LEU 29 11.201 13.546 -0.223 215 HD23 LEU 29 2HD2 LEU 29 9.777 14.490 -0.661 216 H ASP 30 H ASP 30 12.648 10.109 0.323 217 HA ASP 30 HA ASP 30 13.699 7.730 -0.961 218 HB2 ASP 30 2HB ASP 30 15.216 9.030 0.377 219 HB3 ASP 30 1HB ASP 30 14.154 8.925 1.773 220 H ALA 31 H ALA 31 12.926 5.750 -0.787 221 HA ALA 31 HA ALA 31 10.530 5.115 0.532 222 HB1 ALA 31 1HB ALA 31 12.598 3.064 -0.179 223 HB2 ALA 31 2HB ALA 31 11.655 3.900 -1.414 224 HB3 ALA 31 3HB ALA 31 10.838 2.921 -0.198 225 H ALA 32 H ALA 32 13.899 4.792 1.547 226 HA ALA 32 HA ALA 32 13.441 3.131 3.784 227 HB1 ALA 32 1HB ALA 32 15.650 3.652 2.656 228 HB2 ALA 32 2HB ALA 32 15.661 3.678 4.420 229 HB3 ALA 32 3HB ALA 32 15.623 5.192 3.514 230 H THR 33 H THR 33 12.636 6.395 3.219 231 HA THR 33 HA THR 33 12.013 6.722 6.091 232 HB THR 33 HB THR 33 12.619 9.234 5.622 233 HG1 THR 33 1HG THR 33 13.899 7.783 3.588 234 HG21 THR 33 3HG2 THR 33 14.749 7.090 5.949 235 HG22 THR 33 1HG2 THR 33 13.771 7.763 7.253 236 HG23 THR 33 2HG2 THR 33 14.929 8.785 6.401 237 H ILE 34 H ILE 34 10.275 5.862 4.045 238 HA ILE 34 HA ILE 34 8.763 8.178 3.179 239 HB ILE 34 HB ILE 34 8.534 5.222 2.893 240 HG12 ILE 34 2HG1 ILE 34 9.514 6.882 1.238 241 HG13 ILE 34 1HG1 ILE 34 8.326 5.755 0.591 242 HG21 ILE 34 1HG2 ILE 34 6.114 7.028 2.837 243 HG22 ILE 34 2HG2 ILE 34 6.279 5.443 3.595 244 HG23 ILE 34 3HG2 ILE 34 6.212 5.573 1.856 245 HD11 ILE 34 3HD1 ILE 34 7.164 8.283 1.592 246 HD12 ILE 34 1HD1 ILE 34 6.887 7.425 0.074 247 HD13 ILE 34 2HD1 ILE 34 8.284 8.477 0.252 248 H ALA 35 H ALA 35 7.559 5.431 5.045 249 HA ALA 35 HA ALA 35 6.832 6.759 7.375 250 HB1 ALA 35 1HB ALA 35 4.908 7.065 5.084 251 HB2 ALA 35 2HB ALA 35 5.323 8.221 6.349 252 HB3 ALA 35 3HB ALA 35 4.256 6.867 6.711 253 H THR 36 H THR 36 7.531 4.071 5.997 254 HA THR 36 HA THR 36 5.680 2.150 6.010 255 HB THR 36 HB THR 36 7.354 0.622 6.845 256 HG1 THR 36 1HG THR 36 9.081 2.640 7.613 257 HG21 THR 36 3HG2 THR 36 9.189 1.177 5.415 258 HG22 THR 36 1HG2 THR 36 8.860 2.904 5.546 259 HG23 THR 36 2HG2 THR 36 7.754 1.859 4.651 260 H ASP 37 H ASP 37 7.009 3.600 9.017 261 HA ASP 37 HA ASP 37 5.003 2.122 10.591 262 HB2 ASP 37 2HB ASP 37 7.503 3.669 11.292 263 HB3 ASP 37 1HB ASP 37 6.365 3.094 12.507 264 H LEU 38 H LEU 38 4.521 4.525 8.809 265 HA LEU 38 HA LEU 38 3.083 6.108 10.817 266 HB2 LEU 38 2HB LEU 38 5.104 7.140 8.853 267 HB3 LEU 38 1HB LEU 38 3.776 8.180 9.339 268 HG LEU 38 HG LEU 38 5.434 6.750 11.417 269 HD11 LEU 38 1HD1 LEU 38 7.066 7.871 10.022 270 HD12 LEU 38 2HD1 LEU 38 6.870 8.789 11.519 271 HD13 LEU 38 3HD1 LEU 38 6.109 9.354 10.028 272 HD21 LEU 38 3HD2 LEU 38 3.481 7.835 12.280 273 HD22 LEU 38 1HD2 LEU 38 3.776 9.283 11.317 274 HD23 LEU 38 2HD2 LEU 38 4.837 8.887 12.669 275 HA PRO 39 HA PRO 39 -0.224 5.839 7.920 276 HB2 PRO 39 2HB PRO 39 -1.554 8.204 8.444 277 HB3 PRO 39 1HB PRO 39 -1.617 6.785 9.507 278 HG2 PRO 39 2HG PRO 39 0.051 9.251 9.745 279 HG3 PRO 39 1HG PRO 39 -0.810 8.346 11.006 280 HD2 PRO 39 2HD PRO 39 1.862 8.082 10.626 281 HD3 PRO 39 1HD PRO 39 0.853 6.727 11.169 282 H LEU 40 H LEU 40 -1.393 7.283 6.232 283 HA LEU 40 HA LEU 40 0.588 8.245 4.389 284 HB2 LEU 40 2HB LEU 40 -1.211 8.472 2.827 285 HB3 LEU 40 1HB LEU 40 -1.523 7.001 3.744 286 HG LEU 40 HG LEU 40 -2.780 9.693 4.367 287 HD11 LEU 40 1HD1 LEU 40 -4.164 7.307 3.184 288 HD12 LEU 40 2HD1 LEU 40 -3.439 8.555 2.174 289 HD13 LEU 40 3HD1 LEU 40 -4.734 8.972 3.293 290 HD21 LEU 40 3HD2 LEU 40 -3.012 6.932 5.530 291 HD22 LEU 40 1HD2 LEU 40 -4.338 8.087 5.669 292 HD23 LEU 40 2HD2 LEU 40 -2.765 8.466 6.361 293 H THR 41 H THR 41 -1.469 9.653 6.768 294 HA THR 41 HA THR 41 -1.879 12.212 5.821 295 HB THR 41 HB THR 41 -1.824 12.911 8.230 296 HG1 THR 41 1HG THR 41 -0.451 10.591 8.346 297 HG21 THR 41 3HG2 THR 41 -3.729 11.493 8.884 298 HG22 THR 41 1HG2 THR 41 -3.325 10.355 7.602 299 HG23 THR 41 2HG2 THR 41 -3.862 11.985 7.197 300 H SER 42 H SER 42 1.066 10.781 7.167 301 HA SER 42 HA SER 42 2.588 12.962 7.751 302 HB2 SER 42 2HB SER 42 3.538 10.798 8.087 303 HB3 SER 42 1HB SER 42 3.291 10.358 6.397 304 HG SER 42 HG SER 42 4.866 12.590 7.050 305 H TYR 43 H TYR 43 1.697 11.770 4.543 306 HA TYR 43 HA TYR 43 3.506 13.461 3.093 307 HB2 TYR 43 2HB TYR 43 0.943 12.315 2.007 308 HB3 TYR 43 1HB TYR 43 2.456 12.604 1.163 309 HD1 TYR 43 1HD TYR 43 4.360 11.430 3.243 310 HD2 TYR 43 2HD TYR 43 0.653 9.990 1.606 311 HE1 TYR 43 1HE TYR 43 5.055 9.110 3.709 312 HE2 TYR 43 2HE TYR 43 1.361 7.666 2.078 313 HH TYR 43 HH TYR 43 2.902 6.493 3.584 314 H GLY 44 H GLY 44 0.733 14.111 4.838 315 HA2 GLY 44 2HA GLY 44 -0.576 15.984 5.043 316 HA3 GLY 44 1HA GLY 44 0.713 16.834 4.194 317 H LEU 45 H LEU 45 -0.795 14.119 2.668 318 HA LEU 45 HA LEU 45 -1.565 15.653 0.416 319 HB2 LEU 45 2HB LEU 45 -2.295 13.618 -0.504 320 HB3 LEU 45 1HB LEU 45 -0.927 13.187 0.504 321 HG LEU 45 HG LEU 45 -3.857 12.917 1.313 322 HD11 LEU 45 1HD1 LEU 45 -2.937 11.269 -0.396 323 HD12 LEU 45 2HD1 LEU 45 -3.589 10.582 1.085 324 HD13 LEU 45 3HD1 LEU 45 -1.843 10.714 0.872 325 HD21 LEU 45 3HD2 LEU 45 -2.588 13.359 3.288 326 HD22 LEU 45 1HD2 LEU 45 -1.247 12.370 2.730 327 HD23 LEU 45 2HD2 LEU 45 -2.757 11.614 3.225 328 H ASP 46 H ASP 46 -3.517 16.416 -0.250 329 HA ASP 46 HA ASP 46 -5.497 16.985 1.710 330 HB2 ASP 46 2HB ASP 46 -5.500 17.201 -1.300 331 HB3 ASP 46 1HB ASP 46 -6.842 17.739 -0.291 332 H SER 47 H SER 47 -7.886 16.445 1.249 333 HA SER 47 HA SER 47 -8.234 13.633 1.473 334 HB2 SER 47 2HB SER 47 -10.647 14.170 1.452 335 HB3 SER 47 1HB SER 47 -9.752 15.204 2.561 336 HG SER 47 HG SER 47 -10.770 16.700 1.445 337 H VAL 48 H VAL 48 -8.591 15.911 -1.183 338 HA VAL 48 HA VAL 48 -9.923 14.145 -2.973 339 HB VAL 48 HB VAL 48 -9.108 15.763 -4.725 340 HG11 VAL 48 1HG1 VAL 48 -10.400 16.908 -2.230 341 HG12 VAL 48 2HG1 VAL 48 -11.239 16.113 -3.562 342 HG13 VAL 48 3HG1 VAL 48 -10.437 17.663 -3.823 343 HG21 VAL 48 3HG2 VAL 48 -7.889 17.732 -4.018 344 HG22 VAL 48 1HG2 VAL 48 -6.985 16.320 -3.468 345 HG23 VAL 48 2HG2 VAL 48 -7.972 17.234 -2.328 346 H TYR 49 H TYR 49 -6.628 14.542 -2.012 347 HA TYR 49 HA TYR 49 -5.384 13.380 -4.277 348 HB2 TYR 49 2HB TYR 49 -4.469 14.590 -1.994 349 HB3 TYR 49 1HB TYR 49 -4.098 12.902 -1.640 350 HD1 TYR 49 2HD TYR 49 -3.950 15.208 -4.603 351 HD2 TYR 49 1HD TYR 49 -1.952 12.208 -2.273 352 HE1 TYR 49 2HE TYR 49 -1.993 15.329 -6.117 353 HE2 TYR 49 1HE TYR 49 -0.006 12.324 -3.777 354 HH TYR 49 HH TYR 49 1.009 13.868 -5.359 355 H ALA 50 H ALA 50 -6.377 11.984 -1.159 356 HA ALA 50 HA ALA 50 -5.517 9.388 -1.491 357 HB1 ALA 50 1HB ALA 50 -6.584 10.244 0.570 358 HB2 ALA 50 2HB ALA 50 -7.318 8.732 0.034 359 HB3 ALA 50 3HB ALA 50 -8.141 10.265 -0.259 360 H LEU 51 H LEU 51 -8.419 10.932 -2.786 361 HA LEU 51 HA LEU 51 -9.675 8.637 -3.792 362 HB2 LEU 51 2HB LEU 51 -10.807 10.776 -3.686 363 HB3 LEU 51 1HB LEU 51 -9.660 11.477 -4.824 364 HG LEU 51 HG LEU 51 -10.969 9.013 -5.843 365 HD11 LEU 51 1HD1 LEU 51 -12.915 9.798 -4.708 366 HD12 LEU 51 2HD1 LEU 51 -13.093 10.296 -6.391 367 HD13 LEU 51 3HD1 LEU 51 -12.596 11.468 -5.171 368 HD21 LEU 51 3HD2 LEU 51 -11.132 10.343 -7.877 369 HD22 LEU 51 1HD2 LEU 51 -9.535 10.611 -7.173 370 HD23 LEU 51 2HD2 LEU 51 -10.798 11.826 -6.981 371 H SER 52 H SER 52 -7.497 10.921 -5.477 372 HA SER 52 HA SER 52 -7.376 9.424 -7.883 373 HB2 SER 52 2HB SER 52 -6.777 11.822 -7.707 374 HB3 SER 52 1HB SER 52 -5.357 11.380 -6.751 375 HG SER 52 HG SER 52 -5.654 11.409 -9.407 376 H ILE 53 H ILE 53 -5.186 9.633 -5.093 377 HA ILE 53 HA ILE 53 -3.262 7.823 -6.097 378 HB ILE 53 HB ILE 53 -3.960 8.387 -3.209 379 HG12 ILE 53 2HG1 ILE 53 -3.442 10.401 -4.839 380 HG13 ILE 53 1HG1 ILE 53 -2.638 10.307 -3.276 381 HG21 ILE 53 1HG2 ILE 53 -2.462 6.547 -3.254 382 HG22 ILE 53 2HG2 ILE 53 -1.428 7.951 -2.990 383 HG23 ILE 53 3HG2 ILE 53 -1.539 7.234 -4.593 384 HD11 ILE 53 3HD1 ILE 53 -1.197 10.802 -5.386 385 HD12 ILE 53 1HD1 ILE 53 -1.353 9.074 -5.700 386 HD13 ILE 53 2HD1 ILE 53 -0.600 9.635 -4.208 387 H ALA 54 H ALA 54 -5.767 7.293 -3.604 388 HA ALA 54 HA ALA 54 -5.439 4.593 -3.240 389 HB1 ALA 54 1HB ALA 54 -7.052 6.008 -1.986 390 HB2 ALA 54 2HB ALA 54 -7.786 4.514 -2.570 391 HB3 ALA 54 3HB ALA 54 -8.098 6.034 -3.406 392 H ALA 55 H ALA 55 -7.144 6.249 -5.863 393 HA ALA 55 HA ALA 55 -8.231 3.898 -7.061 394 HB1 ALA 55 1HB ALA 55 -9.095 6.125 -7.578 395 HB2 ALA 55 2HB ALA 55 -8.539 5.327 -9.049 396 HB3 ALA 55 3HB ALA 55 -7.548 6.576 -8.294 397 H GLU 56 H GLU 56 -5.221 5.686 -7.524 398 HA GLU 56 HA GLU 56 -4.309 4.118 -9.736 399 HB2 GLU 56 2HB GLU 56 -2.886 5.922 -7.776 400 HB3 GLU 56 1HB GLU 56 -2.054 5.114 -9.105 401 HG2 GLU 56 2HG GLU 56 -4.465 6.911 -9.463 402 HG3 GLU 56 1HG GLU 56 -2.799 7.457 -9.639 403 H LEU 57 H LEU 57 -3.485 4.060 -6.275 404 HA LEU 57 HA LEU 57 -1.654 1.910 -6.354 405 HB2 LEU 57 2HB LEU 57 -3.415 3.124 -4.235 406 HB3 LEU 57 1HB LEU 57 -2.543 1.634 -3.884 407 HG LEU 57 HG LEU 57 -0.421 2.715 -4.467 408 HD11 LEU 57 1HD1 LEU 57 -2.170 5.083 -5.043 409 HD12 LEU 57 2HD1 LEU 57 -1.116 4.243 -6.171 410 HD13 LEU 57 3HD1 LEU 57 -0.427 5.190 -4.852 411 HD21 LEU 57 3HD2 LEU 57 -2.135 4.285 -2.531 412 HD22 LEU 57 1HD2 LEU 57 -0.376 4.402 -2.626 413 HD23 LEU 57 2HD2 LEU 57 -1.135 2.881 -2.156 414 H GLU 58 H GLU 58 -5.111 1.872 -5.483 415 HA GLU 58 HA GLU 58 -5.279 -0.940 -5.276 416 HB2 GLU 58 2HB GLU 58 -7.658 -0.665 -5.324 417 HB3 GLU 58 1HB GLU 58 -6.959 0.631 -4.385 418 HG2 GLU 58 2HG GLU 58 -8.288 1.968 -5.728 419 HG3 GLU 58 1HG GLU 58 -6.960 1.810 -6.840 420 H ASP 59 H ASP 59 -5.776 1.226 -8.030 421 HA ASP 59 HA ASP 59 -6.883 -0.616 -9.840 422 HB2 ASP 59 2HB ASP 59 -6.950 1.692 -10.418 423 HB3 ASP 59 1HB ASP 59 -5.203 1.862 -10.247 424 H HIS 60 H HIS 60 -3.655 -0.171 -8.691 425 HA HIS 60 HA HIS 60 -2.383 -1.616 -10.848 426 HB2 HIS 60 2HB HIS 60 -1.512 -0.556 -8.186 427 HB3 HIS 60 1HB HIS 60 -0.502 -1.768 -8.964 428 HD1 HIS 60 1HD HIS 60 -0.441 -1.037 -11.799 429 HD2 HIS 60 2HD HIS 60 -0.568 1.888 -8.840 430 HE1 HIS 60 1HE HIS 60 0.447 1.085 -12.854 431 HE2 HIS 60 2HE HIS 60 0.377 2.884 -11.059 432 H LEU 61 H LEU 61 -3.683 -2.482 -7.684 433 HA LEU 61 HA LEU 61 -2.914 -5.301 -8.108 434 HB2 LEU 61 2HB LEU 61 -4.122 -4.036 -5.635 435 HB3 LEU 61 1HB LEU 61 -3.427 -5.643 -5.761 436 HG LEU 61 HG LEU 61 -1.776 -4.250 -4.735 437 HD11 LEU 61 1HD1 LEU 61 -0.905 -4.259 -7.617 438 HD12 LEU 61 2HD1 LEU 61 -1.100 -5.765 -6.715 439 HD13 LEU 61 3HD1 LEU 61 0.061 -4.550 -6.170 440 HD21 LEU 61 3HD2 LEU 61 -1.459 -2.064 -5.202 441 HD22 LEU 61 1HD2 LEU 61 -3.000 -2.178 -6.022 442 HD23 LEU 61 2HD2 LEU 61 -1.504 -2.310 -6.934 443 H ASP 62 H ASP 62 -5.163 -3.718 -9.462 444 HA ASP 62 HA ASP 62 -7.394 -3.992 -9.950 445 HB2 ASP 62 2HB ASP 62 -6.318 -6.788 -9.698 446 HB3 ASP 62 1HB ASP 62 -7.920 -6.424 -10.331 447 H VAL 63 H VAL 63 -7.708 -3.144 -7.603 448 HA VAL 63 HA VAL 63 -9.665 -4.905 -6.325 449 HB VAL 63 HB VAL 63 -8.540 -4.251 -4.051 450 HG11 VAL 63 1HG1 VAL 63 -8.685 -6.538 -4.950 451 HG12 VAL 63 2HG1 VAL 63 -7.151 -6.247 -4.132 452 HG13 VAL 63 3HG1 VAL 63 -7.226 -6.250 -5.893 453 HG21 VAL 63 3HG2 VAL 63 -6.863 -2.720 -4.850 454 HG22 VAL 63 1HG2 VAL 63 -6.287 -3.879 -6.042 455 HG23 VAL 63 2HG2 VAL 63 -6.020 -4.171 -4.326 456 H SER 64 H SER 64 -11.028 -3.769 -4.801 457 HA SER 64 HA SER 64 -11.037 -0.828 -5.212 458 HB2 SER 64 2HB SER 64 -12.934 -2.012 -6.301 459 HB3 SER 64 1HB SER 64 -13.398 -2.662 -4.731 460 HG SER 64 HG SER 64 -14.338 -0.830 -4.362 461 H LEU 65 H LEU 65 -11.241 0.444 -3.450 462 HA LEU 65 HA LEU 65 -11.264 -0.900 -0.800 463 HB2 LEU 65 2HB LEU 65 -10.205 1.850 -0.809 464 HB3 LEU 65 1HB LEU 65 -9.478 0.378 -0.169 465 HG LEU 65 HG LEU 65 -8.933 -0.243 -2.566 466 HD11 LEU 65 1HD1 LEU 65 -8.878 2.457 -3.598 467 HD12 LEU 65 2HD1 LEU 65 -10.524 2.070 -3.102 468 HD13 LEU 65 3HD1 LEU 65 -9.690 1.030 -4.250 469 HD21 LEU 65 3HD2 LEU 65 -7.194 1.966 -2.484 470 HD22 LEU 65 1HD2 LEU 65 -6.931 0.398 -1.725 471 HD23 LEU 65 2HD2 LEU 65 -7.643 1.717 -0.796 472 H ASP 66 H ASP 66 -12.177 0.370 0.959 473 HA ASP 66 HA ASP 66 -14.574 1.755 0.010 474 HB2 ASP 66 2HB ASP 66 -14.039 -0.113 2.132 475 HB3 ASP 66 1HB ASP 66 -14.727 1.354 2.824 476 HA PRO 67 HA PRO 67 -13.369 5.810 1.301 477 HB2 PRO 67 2HB PRO 67 -15.913 5.931 2.884 478 HB3 PRO 67 1HB PRO 67 -15.303 7.045 1.647 479 HG2 PRO 67 2HG PRO 67 -17.285 5.317 1.140 480 HG3 PRO 67 1HG PRO 67 -16.083 5.755 -0.087 481 HD2 PRO 67 2HD PRO 67 -16.346 3.216 1.469 482 HD3 PRO 67 1HD PRO 67 -15.716 3.499 -0.168 483 H THR 68 H THR 68 -15.286 4.669 4.082 484 HA THR 68 HA THR 68 -13.543 5.751 6.022 485 HB THR 68 HB THR 68 -14.862 4.396 7.630 486 HG1 THR 68 1HG THR 68 -15.092 2.618 6.104 487 HG21 THR 68 3HG2 THR 68 -15.732 6.558 6.832 488 HG22 THR 68 1HG2 THR 68 -17.047 5.416 7.112 489 HG23 THR 68 2HG2 THR 68 -16.501 5.747 5.468 490 H LEU 69 H LEU 69 -13.412 2.876 4.185 491 HA LEU 69 HA LEU 69 -11.892 1.288 6.022 492 HB2 LEU 69 2HB LEU 69 -13.161 0.295 4.187 493 HB3 LEU 69 1HB LEU 69 -12.123 1.089 3.006 494 HG LEU 69 HG LEU 69 -10.999 -0.715 5.157 495 HD11 LEU 69 1HD1 LEU 69 -11.005 -2.491 3.322 496 HD12 LEU 69 2HD1 LEU 69 -12.178 -1.474 2.488 497 HD13 LEU 69 3HD1 LEU 69 -12.555 -2.130 4.080 498 HD21 LEU 69 3HD2 LEU 69 -9.440 -0.989 2.865 499 HD22 LEU 69 1HD2 LEU 69 -9.071 0.076 4.224 500 HD23 LEU 69 2HD2 LEU 69 -9.907 0.710 2.800 501 H ILE 70 H ILE 70 -11.042 3.408 3.301 502 HA ILE 70 HA ILE 70 -8.301 2.946 3.221 503 HB ILE 70 HB ILE 70 -9.887 5.468 2.693 504 HG12 ILE 70 2HG1 ILE 70 -8.506 3.643 0.711 505 HG13 ILE 70 1HG1 ILE 70 -10.139 3.308 1.273 506 HG21 ILE 70 1HG2 ILE 70 -7.758 6.076 1.364 507 HG22 ILE 70 2HG2 ILE 70 -6.947 4.861 2.351 508 HG23 ILE 70 3HG2 ILE 70 -7.691 6.266 3.115 509 HD11 ILE 70 3HD1 ILE 70 -9.360 6.002 0.148 510 HD12 ILE 70 1HD1 ILE 70 -10.982 5.344 0.376 511 HD13 ILE 70 2HD1 ILE 70 -9.933 4.687 -0.881 512 H TRP 71 H TRP 71 -10.197 4.980 5.379 513 HA TRP 71 HA TRP 71 -7.860 6.079 6.687 514 HB2 TRP 71 2HB TRP 71 -10.811 6.200 7.344 515 HB3 TRP 71 1HB TRP 71 -9.559 7.019 8.276 516 HD1 TRP 71 HD TRP 71 -11.778 7.511 5.394 517 HE1 TRP 71 1HE TRP 71 -11.067 9.578 4.025 518 HE3 TRP 71 3HE TRP 71 -7.156 8.347 7.399 519 HZ2 TRP 71 2HZ TRP 71 -8.826 11.348 3.805 520 HZ3 TRP 71 3HZ TRP 71 -5.756 10.225 6.591 521 HH2 TRP 71 HH TRP 71 -6.585 11.726 4.801 522 H ASP 72 H ASP 72 -9.431 3.129 6.768 523 HA ASP 72 HA ASP 72 -9.091 2.605 9.612 524 HB2 ASP 72 2HB ASP 72 -10.958 1.638 8.184 525 HB3 ASP 72 1HB ASP 72 -9.738 0.589 7.455 526 H HIS 73 H HIS 73 -7.537 1.804 6.557 527 HA HIS 73 HA HIS 73 -5.270 0.599 8.056 528 HB2 HIS 73 2HB HIS 73 -5.993 -0.007 5.184 529 HB3 HIS 73 1HB HIS 73 -4.904 -0.902 6.251 530 HD1 HIS 73 1HD HIS 73 -6.887 -0.844 8.750 531 HD2 HIS 73 2HD HIS 73 -7.863 -2.066 4.887 532 HE1 HIS 73 1HE HIS 73 -8.913 -2.351 8.964 533 HE2 HIS 73 2HE HIS 73 -9.508 -3.115 6.617 534 HA PRO 74 HA PRO 74 -3.900 4.365 5.551 535 HB2 PRO 74 2HB PRO 74 -3.166 5.976 7.635 536 HB3 PRO 74 1HB PRO 74 -4.820 5.925 6.996 537 HG2 PRO 74 2HG PRO 74 -3.687 4.583 9.412 538 HG3 PRO 74 1HG PRO 74 -5.239 5.419 9.211 539 HD2 PRO 74 2HD PRO 74 -5.017 2.684 9.115 540 HD3 PRO 74 1HD PRO 74 -6.243 3.605 8.218 541 H THR 75 H THR 75 -2.676 2.075 7.625 542 HA THR 75 HA THR 75 0.130 2.995 7.325 543 HB THR 75 HB THR 75 0.496 1.096 9.075 544 HG1 THR 75 1HG THR 75 -1.241 0.312 9.975 545 HG21 THR 75 3HG2 THR 75 -0.800 3.776 9.580 546 HG22 THR 75 1HG2 THR 75 0.890 3.313 9.794 547 HG23 THR 75 2HG2 THR 75 -0.336 2.723 10.917 548 H ILE 76 H ILE 76 1.711 1.468 6.756 549 HA ILE 76 HA ILE 76 0.958 -0.176 4.554 550 HB ILE 76 HB ILE 76 3.580 0.080 6.045 551 HG12 ILE 76 2HG1 ILE 76 2.512 1.166 3.418 552 HG13 ILE 76 1HG1 ILE 76 2.956 2.095 4.844 553 HG21 ILE 76 1HG2 ILE 76 4.580 -1.133 4.116 554 HG22 ILE 76 2HG2 ILE 76 2.966 -1.403 3.457 555 HG23 ILE 76 3HG2 ILE 76 3.441 -2.156 4.977 556 HD11 ILE 76 3HD1 ILE 76 4.659 1.024 2.701 557 HD12 ILE 76 1HD1 ILE 76 5.292 0.697 4.308 558 HD13 ILE 76 2HD1 ILE 76 4.966 2.358 3.803 559 H ASP 77 H ASP 77 1.960 -0.852 7.877 560 HA ASP 77 HA ASP 77 2.166 -3.608 7.747 561 HB2 ASP 77 2HB ASP 77 2.792 -2.393 9.740 562 HB3 ASP 77 1HB ASP 77 1.129 -1.864 9.992 563 H ALA 78 H ALA 78 -0.739 -1.649 8.377 564 HA ALA 78 HA ALA 78 -2.486 -3.886 8.589 565 HB1 ALA 78 1HB ALA 78 -3.057 -1.723 9.580 566 HB2 ALA 78 2HB ALA 78 -4.280 -2.184 8.398 567 HB3 ALA 78 3HB ALA 78 -3.067 -0.969 7.987 568 H LEU 79 H LEU 79 -1.811 -1.558 5.985 569 HA LEU 79 HA LEU 79 -3.641 -2.619 4.159 570 HB2 LEU 79 2HB LEU 79 -2.059 -0.451 4.124 571 HB3 LEU 79 1HB LEU 79 -1.077 -1.494 3.118 572 HG LEU 79 HG LEU 79 -2.515 -0.296 1.633 573 HD11 LEU 79 1HD1 LEU 79 -2.335 -2.871 1.355 574 HD12 LEU 79 2HD1 LEU 79 -3.577 -2.028 0.444 575 HD13 LEU 79 3HD1 LEU 79 -4.001 -2.909 1.912 576 HD21 LEU 79 3HD2 LEU 79 -5.055 -1.262 2.925 577 HD22 LEU 79 1HD2 LEU 79 -4.753 0.222 2.023 578 HD23 LEU 79 2HD2 LEU 79 -4.212 0.082 3.691 579 H SER 80 H SER 80 -0.199 -3.332 4.641 580 HA SER 80 HA SER 80 0.120 -5.137 2.533 581 HB2 SER 80 2HB SER 80 2.087 -4.371 3.610 582 HB3 SER 80 1HB SER 80 1.491 -4.838 5.200 583 HG SER 80 HG SER 80 1.474 -7.047 4.241 584 H THR 81 H THR 81 -0.669 -5.730 5.953 585 HA THR 81 HA THR 81 -0.898 -8.499 5.884 586 HB THR 81 HB THR 81 -2.688 -6.628 7.447 587 HG1 THR 81 1HG THR 81 -1.041 -6.307 8.735 588 HG21 THR 81 3HG2 THR 81 -1.772 -9.482 7.887 589 HG22 THR 81 1HG2 THR 81 -3.415 -8.948 7.524 590 HG23 THR 81 2HG2 THR 81 -2.667 -8.526 9.068 591 H ALA 82 H ALA 82 -3.273 -6.043 5.018 592 HA ALA 82 HA ALA 82 -5.398 -7.877 4.495 593 HB1 ALA 82 1HB ALA 82 -6.516 -5.994 3.439 594 HB2 ALA 82 2HB ALA 82 -4.998 -5.099 3.360 595 HB3 ALA 82 3HB ALA 82 -5.736 -5.446 4.923 596 H LEU 83 H LEU 83 -2.850 -6.412 2.449 597 HA LEU 83 HA LEU 83 -3.873 -7.273 -0.011 598 HB2 LEU 83 2HB LEU 83 -1.838 -5.653 0.717 599 HB3 LEU 83 1HB LEU 83 -0.907 -7.107 0.363 600 HG LEU 83 HG LEU 83 -2.863 -5.760 -1.510 601 HD11 LEU 83 1HD1 LEU 83 -0.961 -5.009 -2.710 602 HD12 LEU 83 2HD1 LEU 83 0.114 -6.066 -1.814 603 HD13 LEU 83 3HD1 LEU 83 -0.594 -4.664 -1.023 604 HD21 LEU 83 3HD2 LEU 83 -2.926 -8.085 -1.976 605 HD22 LEU 83 1HD2 LEU 83 -1.195 -8.273 -1.684 606 HD23 LEU 83 2HD2 LEU 83 -1.760 -7.431 -3.129 607 H VAL 84 H VAL 84 -1.350 -8.736 2.075 608 HA VAL 84 HA VAL 84 -0.942 -11.025 0.509 609 HB VAL 84 HB VAL 84 0.595 -10.371 2.292 610 HG11 VAL 84 1HG1 VAL 84 -0.026 -10.616 4.631 611 HG12 VAL 84 2HG1 VAL 84 -1.631 -11.192 4.173 612 HG13 VAL 84 3HG1 VAL 84 -1.154 -9.533 3.828 613 HG21 VAL 84 3HG2 VAL 84 0.436 -12.767 1.596 614 HG22 VAL 84 1HG2 VAL 84 -0.715 -13.042 2.903 615 HG23 VAL 84 2HG2 VAL 84 0.938 -12.578 3.271 616 H ALA 85 H ALA 85 -3.353 -10.227 2.936 617 HA ALA 85 HA ALA 85 -4.384 -12.781 3.446 618 HB1 ALA 85 1HB ALA 85 -4.989 -10.604 4.606 619 HB2 ALA 85 2HB ALA 85 -6.341 -11.682 4.247 620 HB3 ALA 85 3HB ALA 85 -6.041 -10.274 3.228 621 H GLU 86 H GLU 86 -4.983 -10.513 0.816 622 HA GLU 86 HA GLU 86 -7.199 -11.666 -0.401 623 HB2 GLU 86 2HB GLU 86 -6.633 -10.430 -2.294 624 HB3 GLU 86 1HB GLU 86 -5.700 -9.587 -1.057 625 HG2 GLU 86 2HG GLU 86 -4.081 -9.909 -2.697 626 HG3 GLU 86 1HG GLU 86 -3.822 -11.316 -1.680 627 H LEU 87 H LEU 87 -4.066 -12.969 -0.010 628 HA LEU 87 HA LEU 87 -4.332 -14.912 -2.183 629 HB2 LEU 87 2HB LEU 87 -2.133 -13.708 -1.493 630 HB3 LEU 87 1HB LEU 87 -2.089 -14.871 -0.169 631 HG LEU 87 HG LEU 87 -2.493 -16.652 -2.066 632 HD11 LEU 87 1HD1 LEU 87 -1.479 -14.252 -3.616 633 HD12 LEU 87 2HD1 LEU 87 -2.901 -15.236 -3.955 634 HD13 LEU 87 3HD1 LEU 87 -1.291 -15.908 -4.192 635 HD21 LEU 87 3HD2 LEU 87 0.037 -16.647 -2.517 636 HD22 LEU 87 1HD2 LEU 87 -0.468 -16.707 -0.827 637 HD23 LEU 87 2HD2 LEU 87 0.093 -15.189 -1.521 638 H ARG 88 H ARG 88 -5.045 -14.635 1.119 639 HA ARG 88 HA ARG 88 -4.768 -17.418 1.790 640 HB2 ARG 88 2HB ARG 88 -6.205 -15.139 3.168 641 HB3 ARG 88 1HB ARG 88 -5.969 -16.743 3.861 642 HG2 ARG 88 2HG ARG 88 -3.625 -15.113 2.882 643 HG3 ARG 88 1HG ARG 88 -4.283 -14.877 4.499 644 HD2 ARG 88 2HD ARG 88 -3.989 -17.357 4.890 645 HD3 ARG 88 1HD ARG 88 -3.141 -17.438 3.351 646 HE ARG 88 HE ARG 88 -2.107 -15.481 5.238 647 HH11 ARG 88 1HH2 ARG 88 -2.009 -18.690 3.946 648 HH12 ARG 88 2HH2 ARG 88 -0.385 -18.996 4.461 649 HH21 ARG 88 1HH1 ARG 88 0.016 -15.875 5.920 650 HH22 ARG 88 2HH1 ARG 88 0.763 -17.400 5.581 651 H SER 89 H SER 89 -7.552 -16.923 3.195 652 HA SER 89 HA SER 89 -9.667 -17.743 2.890 653 HB2 SER 89 2HB SER 89 -10.864 -16.861 1.073 654 HB3 SER 89 1HB SER 89 -9.569 -15.693 1.324 655 HG SER 89 HG SER 89 -8.528 -16.456 -0.425 656 H ALA 90 H ALA 90 -8.203 -19.826 3.000 657 HA ALA 90 HA ALA 90 -9.334 -21.679 1.135 658 HB1 ALA 90 1HB ALA 90 -7.537 -20.817 -0.292 659 HB2 ALA 90 2HB ALA 90 -7.209 -22.487 0.174 660 HB3 ALA 90 3HB ALA 90 -6.355 -21.165 0.970 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 -6.666 -18.201 -14.577 2 H2 GLY 1 2HT GLY 1 -5.396 -17.415 -13.767 3 H3 GLY 1 3HT GLY 1 -6.433 -16.534 -14.783 4 HA2 GLY 1 2HA GLY 1 -8.302 -17.037 -13.291 5 HA3 GLY 1 1HA GLY 1 -7.151 -17.821 -12.208 6 H HIS 2 H HIS 2 -5.003 -16.234 -12.174 7 HA HIS 2 HA HIS 2 -5.760 -13.442 -11.828 8 HB2 HIS 2 2HB HIS 2 -4.827 -15.105 -9.477 9 HB3 HIS 2 1HB HIS 2 -5.075 -13.361 -9.471 10 HD1 HIS 2 1HD HIS 2 -7.676 -12.734 -10.432 11 HD2 HIS 2 2HD HIS 2 -7.063 -16.413 -8.566 12 HE1 HIS 2 1HE HIS 2 -9.958 -13.555 -9.698 13 HE2 HIS 2 2HE HIS 2 -9.600 -15.796 -8.559 14 H MET 3 H MET 3 -4.099 -13.866 -13.674 15 HA MET 3 HA MET 3 -1.406 -13.345 -12.557 16 HB2 MET 3 2HB MET 3 -1.535 -15.711 -13.342 17 HB3 MET 3 1HB MET 3 -1.965 -15.121 -14.948 18 HG2 MET 3 2HG MET 3 0.155 -13.881 -15.077 19 HG3 MET 3 1HG MET 3 0.583 -14.424 -13.455 20 HE1 MET 3 3HE MET 3 3.119 -16.498 -15.092 21 HE2 MET 3 1HE MET 3 2.496 -16.440 -13.439 22 HE3 MET 3 2HE MET 3 2.672 -14.955 -14.370 23 H SER 4 H SER 4 -1.089 -11.275 -13.086 24 HA SER 4 HA SER 4 -1.045 -10.523 -15.884 25 HB2 SER 4 2HB SER 4 -2.864 -9.021 -13.988 26 HB3 SER 4 1HB SER 4 -2.572 -8.646 -15.684 27 HG SER 4 HG SER 4 -3.333 -10.906 -16.030 28 H ASP 5 H ASP 5 0.659 -10.704 -13.349 29 HA ASP 5 HA ASP 5 2.252 -8.401 -13.873 30 HB2 ASP 5 2HB ASP 5 0.469 -7.347 -12.504 31 HB3 ASP 5 1HB ASP 5 0.831 -8.476 -11.199 32 H LEU 6 H LEU 6 1.526 -10.387 -10.988 33 HA LEU 6 HA LEU 6 4.263 -11.531 -11.135 34 HB2 LEU 6 2HB LEU 6 4.031 -9.794 -9.306 35 HB3 LEU 6 1HB LEU 6 2.799 -10.818 -8.573 36 HG LEU 6 HG LEU 6 4.510 -12.694 -8.558 37 HD11 LEU 6 1HD1 LEU 6 6.937 -11.662 -8.515 38 HD12 LEU 6 2HD1 LEU 6 6.226 -10.419 -9.540 39 HD13 LEU 6 3HD1 LEU 6 6.212 -12.104 -10.055 40 HD21 LEU 6 3HD2 LEU 6 5.590 -11.841 -6.534 41 HD22 LEU 6 1HD2 LEU 6 3.900 -11.334 -6.583 42 HD23 LEU 6 2HD2 LEU 6 5.176 -10.188 -6.994 43 H SER 7 H SER 7 4.411 -13.737 -10.708 44 HA SER 7 HA SER 7 2.542 -15.521 -11.270 45 HB2 SER 7 2HB SER 7 4.593 -15.687 -9.063 46 HB3 SER 7 1HB SER 7 3.653 -17.072 -9.611 47 HG SER 7 HG SER 7 5.698 -16.826 -10.684 48 H THR 8 H THR 8 1.087 -16.878 -10.128 49 HA THR 8 HA THR 8 -0.619 -15.418 -8.361 50 HB THR 8 HB THR 8 -0.856 -18.395 -8.730 51 HG1 THR 8 1HG THR 8 -0.817 -18.050 -10.792 52 HG21 THR 8 3HG2 THR 8 -2.458 -17.105 -7.301 53 HG22 THR 8 1HG2 THR 8 -3.238 -17.870 -8.684 54 HG23 THR 8 2HG2 THR 8 -2.884 -16.142 -8.713 55 H ALA 9 H ALA 9 2.170 -15.999 -7.440 56 HA ALA 9 HA ALA 9 1.427 -17.032 -4.778 57 HB1 ALA 9 1HB ALA 9 2.414 -18.922 -5.911 58 HB2 ALA 9 2HB ALA 9 3.536 -18.318 -4.693 59 HB3 ALA 9 3HB ALA 9 3.802 -17.949 -6.398 60 HA PRO 10 HA PRO 10 4.123 -13.202 -4.647 61 HB2 PRO 10 2HB PRO 10 1.930 -11.977 -3.103 62 HB3 PRO 10 1HB PRO 10 2.688 -11.408 -4.606 63 HG2 PRO 10 2HG PRO 10 0.154 -12.351 -4.503 64 HG3 PRO 10 1HG PRO 10 1.194 -12.511 -5.934 65 HD2 PRO 10 2HD PRO 10 0.557 -14.581 -3.835 66 HD3 PRO 10 1HD PRO 10 0.672 -14.748 -5.593 67 H THR 11 H THR 11 5.155 -12.317 -2.672 68 HA THR 11 HA THR 11 4.612 -13.929 -0.232 69 HB THR 11 HB THR 11 7.270 -12.779 -1.121 70 HG1 THR 11 1HG THR 11 6.344 -15.454 -1.225 71 HG21 THR 11 3HG2 THR 11 8.100 -14.426 0.606 72 HG22 THR 11 1HG2 THR 11 6.419 -14.649 1.098 73 HG23 THR 11 2HG2 THR 11 7.185 -13.067 1.259 74 H LEU 12 H LEU 12 4.889 -12.889 1.742 75 HA LEU 12 HA LEU 12 3.773 -10.402 2.063 76 HB2 LEU 12 2HB LEU 12 5.773 -11.856 3.798 77 HB3 LEU 12 1HB LEU 12 4.998 -10.355 4.296 78 HG LEU 12 HG LEU 12 2.778 -11.434 3.918 79 HD11 LEU 12 1HD1 LEU 12 2.949 -14.044 3.929 80 HD12 LEU 12 2HD1 LEU 12 4.566 -13.782 3.279 81 HD13 LEU 12 3HD1 LEU 12 3.155 -13.196 2.400 82 HD21 LEU 12 3HD2 LEU 12 2.866 -12.808 5.963 83 HD22 LEU 12 1HD2 LEU 12 3.815 -11.333 6.161 84 HD23 LEU 12 2HD2 LEU 12 4.624 -12.869 5.849 85 H ASP 13 H ASP 13 7.169 -11.195 1.591 86 HA ASP 13 HA ASP 13 8.163 -8.576 2.093 87 HB2 ASP 13 2HB ASP 13 9.508 -10.470 0.186 88 HB3 ASP 13 1HB ASP 13 10.228 -9.303 1.286 89 H SER 14 H SER 14 7.059 -10.223 -0.896 90 HA SER 14 HA SER 14 7.907 -8.144 -2.611 91 HB2 SER 14 2HB SER 14 7.279 -9.599 -4.185 92 HB3 SER 14 1HB SER 14 6.719 -10.672 -2.906 93 HG SER 14 HG SER 14 5.060 -10.165 -4.408 94 H LEU 15 H LEU 15 4.880 -8.693 -0.825 95 HA LEU 15 HA LEU 15 3.615 -6.477 -2.112 96 HB2 LEU 15 2HB LEU 15 2.855 -7.960 0.409 97 HB3 LEU 15 1HB LEU 15 1.903 -6.715 -0.331 98 HG LEU 15 HG LEU 15 1.124 -8.109 -1.966 99 HD11 LEU 15 1HD1 LEU 15 3.315 -8.365 -3.142 100 HD12 LEU 15 2HD1 LEU 15 2.333 -9.794 -3.152 101 HD13 LEU 15 3HD1 LEU 15 3.686 -9.702 -2.053 102 HD21 LEU 15 3HD2 LEU 15 2.276 -10.332 -0.296 103 HD22 LEU 15 1HD2 LEU 15 0.762 -10.338 -1.200 104 HD23 LEU 15 2HD2 LEU 15 0.927 -9.347 0.258 105 H ARG 16 H ARG 16 4.546 -6.899 1.288 106 HA ARG 16 HA ARG 16 4.339 -4.391 2.261 107 HB2 ARG 16 2HB ARG 16 5.245 -6.121 3.658 108 HB3 ARG 16 1HB ARG 16 6.689 -6.255 2.661 109 HG2 ARG 16 2HG ARG 16 6.131 -3.533 3.784 110 HG3 ARG 16 1HG ARG 16 6.584 -4.763 4.957 111 HD2 ARG 16 2HD ARG 16 8.607 -5.276 3.554 112 HD3 ARG 16 1HD ARG 16 8.188 -3.925 2.521 113 HE ARG 16 HE ARG 16 8.870 -2.457 4.185 114 HH11 ARG 16 1HH2 ARG 16 8.653 -5.710 5.337 115 HH12 ARG 16 2HH2 ARG 16 9.435 -5.373 6.846 116 HH21 ARG 16 1HH1 ARG 16 9.878 -2.000 6.158 117 HH22 ARG 16 2HH1 ARG 16 10.129 -3.269 7.311 118 H VAL 17 H VAL 17 7.233 -5.476 0.441 119 HA VAL 17 HA VAL 17 8.505 -2.962 0.354 120 HB VAL 17 HB VAL 17 9.843 -3.900 -1.455 121 HG11 VAL 17 1HG1 VAL 17 9.170 -5.614 0.922 122 HG12 VAL 17 2HG1 VAL 17 10.706 -4.891 0.467 123 HG13 VAL 17 3HG1 VAL 17 10.153 -6.361 -0.342 124 HG21 VAL 17 3HG2 VAL 17 7.548 -5.789 -1.586 125 HG22 VAL 17 1HG2 VAL 17 9.098 -6.244 -2.262 126 HG23 VAL 17 2HG2 VAL 17 8.229 -4.837 -2.887 127 H TRP 18 H TRP 18 6.073 -4.495 -1.822 128 HA TRP 18 HA TRP 18 6.131 -2.608 -3.903 129 HB2 TRP 18 2HB TRP 18 4.410 -3.869 -4.730 130 HB3 TRP 18 1HB TRP 18 4.524 -4.818 -3.269 131 HD1 TRP 18 HD TRP 18 2.483 -4.672 -1.574 132 HE1 TRP 18 1HE TRP 18 0.328 -3.363 -1.470 133 HE3 TRP 18 3HE TRP 18 3.190 -1.480 -5.521 134 HZ2 TRP 18 2HZ TRP 18 -0.967 -1.286 -2.830 135 HZ3 TRP 18 3HZ TRP 18 1.414 0.134 -6.086 136 HH2 TRP 18 HH TRP 18 -0.654 0.207 -4.728 137 H LEU 19 H LEU 19 4.115 -2.608 -0.981 138 HA LEU 19 HA LEU 19 2.668 -0.263 -1.454 139 HB2 LEU 19 2HB LEU 19 3.279 -2.041 0.795 140 HB3 LEU 19 1HB LEU 19 3.034 -0.388 1.329 141 HG LEU 19 HG LEU 19 0.994 -1.360 -0.634 142 HD11 LEU 19 1HD1 LEU 19 1.332 -3.405 0.638 143 HD12 LEU 19 2HD1 LEU 19 -0.223 -2.672 1.006 144 HD13 LEU 19 3HD1 LEU 19 1.114 -2.519 2.147 145 HD21 LEU 19 3HD2 LEU 19 1.112 0.830 0.827 146 HD22 LEU 19 1HD2 LEU 19 0.454 -0.207 2.092 147 HD23 LEU 19 2HD2 LEU 19 -0.426 0.022 0.581 148 H VAL 20 H VAL 20 5.592 -0.551 0.648 149 HA VAL 20 HA VAL 20 5.836 2.220 1.032 150 HB VAL 20 HB VAL 20 7.006 0.637 2.432 151 HG11 VAL 20 1HG1 VAL 20 7.327 -1.010 0.515 152 HG12 VAL 20 2HG1 VAL 20 8.677 -0.864 1.630 153 HG13 VAL 20 3HG1 VAL 20 8.742 -0.073 0.053 154 HG21 VAL 20 3HG2 VAL 20 8.034 2.916 1.891 155 HG22 VAL 20 1HG2 VAL 20 9.108 2.054 0.792 156 HG23 VAL 20 2HG2 VAL 20 9.146 1.699 2.518 157 H ASP 21 H ASP 21 7.422 0.092 -1.347 158 HA ASP 21 HA ASP 21 8.944 2.089 -2.575 159 HB2 ASP 21 2HB ASP 21 7.791 -0.510 -3.576 160 HB3 ASP 21 1HB ASP 21 8.822 0.502 -4.586 161 H CYS 22 H CYS 22 5.584 1.160 -3.016 162 HA CYS 22 HA CYS 22 5.116 2.607 -5.411 163 HB2 CYS 22 2HB CYS 22 3.563 0.881 -4.334 164 HB3 CYS 22 1HB CYS 22 3.026 2.186 -3.278 165 HG CYS 22 HG CYS 22 2.749 2.270 -6.394 166 H VAL 23 H VAL 23 4.721 3.503 -1.971 167 HA VAL 23 HA VAL 23 3.714 6.108 -2.488 168 HB VAL 23 HB VAL 23 5.337 5.156 -0.149 169 HG11 VAL 23 1HG1 VAL 23 4.697 7.773 -0.674 170 HG12 VAL 23 2HG1 VAL 23 4.813 7.125 0.946 171 HG13 VAL 23 3HG1 VAL 23 3.244 7.267 0.179 172 HG21 VAL 23 3HG2 VAL 23 2.363 5.090 -0.672 173 HG22 VAL 23 1HG2 VAL 23 3.066 4.887 0.936 174 HG23 VAL 23 2HG2 VAL 23 3.422 3.724 -0.342 175 H ALA 24 H ALA 24 7.057 4.932 -1.825 176 HA ALA 24 HA ALA 24 8.381 7.355 -1.861 177 HB1 ALA 24 1HB ALA 24 9.495 4.906 -3.228 178 HB2 ALA 24 2HB ALA 24 9.335 4.999 -1.475 179 HB3 ALA 24 3HB ALA 24 10.361 6.152 -2.327 180 H GLY 25 H GLY 25 7.576 5.265 -4.617 181 HA2 GLY 25 2HA GLY 25 8.680 6.928 -6.612 182 HA3 GLY 25 1HA GLY 25 7.411 5.736 -6.877 183 H HIS 26 H HIS 26 5.404 6.815 -5.200 184 HA HIS 26 HA HIS 26 4.140 8.622 -6.910 185 HB2 HIS 26 2HB HIS 26 3.709 7.765 -4.072 186 HB3 HIS 26 1HB HIS 26 2.793 9.144 -4.658 187 HD1 HIS 26 1HD HIS 26 1.663 8.576 -7.188 188 HD2 HIS 26 2HD HIS 26 2.358 5.418 -4.560 189 HE1 HIS 26 1HE HIS 26 0.168 6.685 -7.932 190 HE2 HIS 26 2HE HIS 26 0.593 4.739 -6.361 191 H LEU 27 H LEU 27 5.809 9.351 -3.803 192 HA LEU 27 HA LEU 27 5.530 12.215 -4.336 193 HB2 LEU 27 2HB LEU 27 6.852 10.760 -2.037 194 HB3 LEU 27 1HB LEU 27 6.460 12.480 -2.099 195 HG LEU 27 HG LEU 27 4.443 10.219 -2.266 196 HD11 LEU 27 1HD1 LEU 27 3.763 11.205 -0.003 197 HD12 LEU 27 2HD1 LEU 27 5.316 12.037 -0.013 198 HD13 LEU 27 3HD1 LEU 27 5.259 10.274 -0.027 199 HD21 LEU 27 3HD2 LEU 27 2.910 12.301 -1.723 200 HD22 LEU 27 1HD2 LEU 27 3.421 12.007 -3.385 201 HD23 LEU 27 2HD2 LEU 27 4.245 13.225 -2.412 202 H GLY 28 H GLY 28 8.012 9.711 -4.267 203 HA2 GLY 28 2HA GLY 28 9.955 9.768 -5.627 204 HA3 GLY 28 1HA GLY 28 9.867 11.527 -5.659 205 H LEU 29 H LEU 29 9.210 10.662 -2.550 206 HA LEU 29 HA LEU 29 11.735 11.569 -1.576 207 HB2 LEU 29 2HB LEU 29 9.539 10.241 0.007 208 HB3 LEU 29 1HB LEU 29 10.802 11.292 0.622 209 HG LEU 29 HG LEU 29 8.647 12.111 -1.346 210 HD11 LEU 29 1HD1 LEU 29 7.630 13.294 0.480 211 HD12 LEU 29 2HD1 LEU 29 8.998 12.962 1.539 212 HD13 LEU 29 3HD1 LEU 29 7.925 11.651 1.047 213 HD21 LEU 29 3HD2 LEU 29 9.581 14.440 -0.597 214 HD22 LEU 29 1HD2 LEU 29 10.484 13.519 -1.795 215 HD23 LEU 29 2HD2 LEU 29 11.012 13.532 -0.112 216 H ASP 30 H ASP 30 12.529 10.167 0.475 217 HA ASP 30 HA ASP 30 13.758 7.829 -0.715 218 HB2 ASP 30 2HB ASP 30 13.993 9.135 1.993 219 HB3 ASP 30 1HB ASP 30 14.843 7.649 1.579 220 H ALA 31 H ALA 31 12.945 5.852 -0.671 221 HA ALA 31 HA ALA 31 10.566 5.100 0.556 222 HB1 ALA 31 1HB ALA 31 12.725 3.134 -0.080 223 HB2 ALA 31 2HB ALA 31 11.833 3.969 -1.351 224 HB3 ALA 31 3HB ALA 31 10.977 2.941 -0.206 225 H ALA 32 H ALA 32 13.888 4.794 1.722 226 HA ALA 32 HA ALA 32 13.379 3.118 3.916 227 HB1 ALA 32 1HB ALA 32 15.485 5.219 3.404 228 HB2 ALA 32 2HB ALA 32 15.632 3.472 3.213 229 HB3 ALA 32 3HB ALA 32 15.486 4.173 4.825 230 H THR 33 H THR 33 12.805 6.523 3.415 231 HA THR 33 HA THR 33 11.878 6.756 6.231 232 HB THR 33 HB THR 33 12.407 9.322 5.652 233 HG1 THR 33 1HG THR 33 13.991 7.757 3.928 234 HG21 THR 33 3HG2 THR 33 14.640 8.997 6.697 235 HG22 THR 33 1HG2 THR 33 14.494 7.259 6.434 236 HG23 THR 33 2HG2 THR 33 13.386 8.079 7.533 237 H ILE 34 H ILE 34 10.234 5.853 4.054 238 HA ILE 34 HA ILE 34 8.697 8.123 3.161 239 HB ILE 34 HB ILE 34 8.626 5.173 2.845 240 HG12 ILE 34 2HG1 ILE 34 9.522 6.911 1.227 241 HG13 ILE 34 1HG1 ILE 34 8.409 5.726 0.541 242 HG21 ILE 34 1HG2 ILE 34 6.086 6.788 2.839 243 HG22 ILE 34 2HG2 ILE 34 6.371 5.175 3.493 244 HG23 ILE 34 3HG2 ILE 34 6.289 5.413 1.769 245 HD11 ILE 34 3HD1 ILE 34 8.220 8.448 0.261 246 HD12 ILE 34 1HD1 ILE 34 7.072 8.151 1.555 247 HD13 ILE 34 2HD1 ILE 34 6.904 7.322 0.007 248 H ALA 35 H ALA 35 7.476 5.362 5.046 249 HA ALA 35 HA ALA 35 6.697 6.666 7.347 250 HB1 ALA 35 1HB ALA 35 4.800 7.088 5.027 251 HB2 ALA 35 2HB ALA 35 5.288 8.228 6.290 252 HB3 ALA 35 3HB ALA 35 4.160 6.939 6.666 253 H THR 36 H THR 36 7.339 4.033 5.958 254 HA THR 36 HA THR 36 5.426 2.178 5.769 255 HB THR 36 HB THR 36 6.973 0.522 6.618 256 HG1 THR 36 1HG THR 36 8.740 1.137 7.832 257 HG21 THR 36 3HG2 THR 36 8.506 2.806 5.340 258 HG22 THR 36 1HG2 THR 36 7.528 1.631 4.467 259 HG23 THR 36 2HG2 THR 36 8.968 1.105 5.332 260 H ASP 37 H ASP 37 6.493 3.592 8.865 261 HA ASP 37 HA ASP 37 4.500 1.974 10.302 262 HB2 ASP 37 2HB ASP 37 5.615 2.955 12.307 263 HB3 ASP 37 1HB ASP 37 6.722 2.045 11.279 264 H LEU 38 H LEU 38 5.078 5.150 9.049 265 HA LEU 38 HA LEU 38 3.076 6.404 10.778 266 HB2 LEU 38 2HB LEU 38 5.074 7.383 8.773 267 HB3 LEU 38 1HB LEU 38 3.740 8.432 9.203 268 HG LEU 38 HG LEU 38 5.407 7.121 11.359 269 HD11 LEU 38 1HD1 LEU 38 7.010 8.207 9.854 270 HD12 LEU 38 2HD1 LEU 38 6.859 9.131 11.350 271 HD13 LEU 38 3HD1 LEU 38 6.053 9.689 9.882 272 HD21 LEU 38 3HD2 LEU 38 3.745 9.641 11.108 273 HD22 LEU 38 1HD2 LEU 38 4.789 9.316 12.489 274 HD23 LEU 38 2HD2 LEU 38 3.435 8.247 12.142 275 HA PRO 39 HA PRO 39 -0.182 6.057 7.825 276 HB2 PRO 39 2HB PRO 39 -1.572 8.395 8.232 277 HB3 PRO 39 1HB PRO 39 -1.613 7.028 9.364 278 HG2 PRO 39 2HG PRO 39 0.001 9.541 9.491 279 HG3 PRO 39 1HG PRO 39 -0.868 8.693 10.787 280 HD2 PRO 39 2HD PRO 39 1.818 8.455 10.467 281 HD3 PRO 39 1HD PRO 39 0.822 7.119 11.077 282 H LEU 40 H LEU 40 -1.228 7.237 6.002 283 HA LEU 40 HA LEU 40 0.782 8.287 4.276 284 HB2 LEU 40 2HB LEU 40 -0.894 8.225 2.553 285 HB3 LEU 40 1HB LEU 40 -1.001 6.750 3.496 286 HG LEU 40 HG LEU 40 -3.233 7.485 3.078 287 HD11 LEU 40 1HD1 LEU 40 -4.167 7.713 5.248 288 HD12 LEU 40 2HD1 LEU 40 -2.680 8.397 5.885 289 HD13 LEU 40 3HD1 LEU 40 -2.731 6.702 5.393 290 HD21 LEU 40 3HD2 LEU 40 -2.266 9.989 2.872 291 HD22 LEU 40 1HD2 LEU 40 -3.079 10.105 4.429 292 HD23 LEU 40 2HD2 LEU 40 -3.973 9.608 2.998 293 H THR 41 H THR 41 -1.528 9.614 6.400 294 HA THR 41 HA THR 41 -2.032 12.071 5.233 295 HB THR 41 HB THR 41 -2.285 12.881 7.629 296 HG1 THR 41 1HG THR 41 -1.994 11.373 9.216 297 HG21 THR 41 3HG2 THR 41 -3.641 10.275 6.897 298 HG22 THR 41 1HG2 THR 41 -4.117 11.865 6.301 299 HG23 THR 41 2HG2 THR 41 -4.251 11.489 8.019 300 H SER 42 H SER 42 0.848 10.914 6.909 301 HA SER 42 HA SER 42 2.113 13.253 7.596 302 HB2 SER 42 2HB SER 42 3.187 11.236 8.211 303 HB3 SER 42 1HB SER 42 3.118 10.605 6.567 304 HG SER 42 HG SER 42 5.006 11.456 6.302 305 H TYR 43 H TYR 43 1.480 11.981 4.429 306 HA TYR 43 HA TYR 43 3.435 13.538 3.026 307 HB2 TYR 43 2HB TYR 43 0.881 12.379 1.896 308 HB3 TYR 43 1HB TYR 43 2.361 12.751 1.029 309 HD1 TYR 43 2HD TYR 43 4.402 11.589 3.010 310 HD2 TYR 43 1HD TYR 43 0.674 10.055 1.503 311 HE1 TYR 43 2HE TYR 43 5.169 9.289 3.446 312 HE2 TYR 43 1HE TYR 43 1.477 7.749 1.945 313 HH TYR 43 HH TYR 43 3.028 6.506 2.841 314 H GLY 44 H GLY 44 0.836 14.536 4.745 315 HA2 GLY 44 2HA GLY 44 -0.286 16.539 4.857 316 HA3 GLY 44 1HA GLY 44 0.968 17.176 3.800 317 H LEU 45 H LEU 45 -0.727 14.483 2.565 318 HA LEU 45 HA LEU 45 -1.791 15.991 0.391 319 HB2 LEU 45 2HB LEU 45 -2.282 13.929 -0.566 320 HB3 LEU 45 1HB LEU 45 -0.957 13.507 0.504 321 HG LEU 45 HG LEU 45 -3.918 13.130 1.160 322 HD11 LEU 45 1HD1 LEU 45 -3.336 10.718 1.028 323 HD12 LEU 45 2HD1 LEU 45 -1.761 11.168 0.374 324 HD13 LEU 45 3HD1 LEU 45 -3.235 11.548 -0.515 325 HD21 LEU 45 3HD2 LEU 45 -2.284 13.569 3.098 326 HD22 LEU 45 1HD2 LEU 45 -1.503 12.070 2.643 327 HD23 LEU 45 2HD2 LEU 45 -3.188 12.078 3.176 328 H ASP 46 H ASP 46 -3.814 16.686 -0.011 329 HA ASP 46 HA ASP 46 -5.677 16.852 2.182 330 HB2 ASP 46 2HB ASP 46 -5.749 17.731 -0.698 331 HB3 ASP 46 1HB ASP 46 -7.144 17.914 0.366 332 H SER 47 H SER 47 -8.060 16.265 1.766 333 HA SER 47 HA SER 47 -8.297 13.476 1.469 334 HB2 SER 47 2HB SER 47 -10.350 15.691 1.441 335 HB3 SER 47 1HB SER 47 -10.771 13.981 1.410 336 HG SER 47 HG SER 47 -8.966 14.946 3.335 337 H VAL 48 H VAL 48 -8.813 16.141 -0.768 338 HA VAL 48 HA VAL 48 -10.120 14.734 -2.823 339 HB VAL 48 HB VAL 48 -9.934 17.213 -2.737 340 HG11 VAL 48 1HG1 VAL 48 -7.487 17.146 -2.079 341 HG12 VAL 48 2HG1 VAL 48 -7.888 18.307 -3.341 342 HG13 VAL 48 3HG1 VAL 48 -7.121 16.774 -3.761 343 HG21 VAL 48 3HG2 VAL 48 -8.717 16.077 -5.270 344 HG22 VAL 48 1HG2 VAL 48 -9.752 17.496 -5.120 345 HG23 VAL 48 2HG2 VAL 48 -10.420 15.886 -4.853 346 H TYR 49 H TYR 49 -6.838 14.719 -1.761 347 HA TYR 49 HA TYR 49 -5.767 13.675 -4.248 348 HB2 TYR 49 2HB TYR 49 -4.591 15.069 -2.298 349 HB3 TYR 49 1HB TYR 49 -4.257 13.457 -1.662 350 HD1 TYR 49 2HD TYR 49 -4.200 15.261 -4.960 351 HD2 TYR 49 1HD TYR 49 -2.242 12.463 -2.363 352 HE1 TYR 49 2HE TYR 49 -2.354 15.027 -6.596 353 HE2 TYR 49 1HE TYR 49 -0.397 12.241 -3.983 354 HH TYR 49 HH TYR 49 -0.406 14.078 -7.044 355 H ALA 50 H ALA 50 -6.658 12.401 -1.073 356 HA ALA 50 HA ALA 50 -5.658 9.857 -1.117 357 HB1 ALA 50 1HB ALA 50 -7.458 9.214 0.340 358 HB2 ALA 50 2HB ALA 50 -8.487 10.508 -0.273 359 HB3 ALA 50 3HB ALA 50 -7.067 10.897 0.696 360 H LEU 51 H LEU 51 -8.328 11.122 -2.993 361 HA LEU 51 HA LEU 51 -9.318 8.608 -3.914 362 HB2 LEU 51 2HB LEU 51 -10.706 9.860 -5.367 363 HB3 LEU 51 1HB LEU 51 -10.529 10.850 -3.924 364 HG LEU 51 HG LEU 51 -8.478 11.869 -5.236 365 HD11 LEU 51 1HD1 LEU 51 -8.207 11.331 -7.400 366 HD12 LEU 51 2HD1 LEU 51 -9.888 11.728 -7.762 367 HD13 LEU 51 3HD1 LEU 51 -9.464 10.105 -7.234 368 HD21 LEU 51 3HD2 LEU 51 -9.959 13.626 -6.112 369 HD22 LEU 51 1HD2 LEU 51 -10.500 13.094 -4.520 370 HD23 LEU 51 2HD2 LEU 51 -11.339 12.536 -5.967 371 H SER 52 H SER 52 -6.994 10.945 -5.192 372 HA SER 52 HA SER 52 -6.568 9.700 -7.686 373 HB2 SER 52 2HB SER 52 -4.420 11.217 -6.219 374 HB3 SER 52 1HB SER 52 -4.820 11.222 -7.940 375 HG SER 52 HG SER 52 -5.587 12.959 -6.202 376 H ILE 53 H ILE 53 -4.778 9.507 -4.621 377 HA ILE 53 HA ILE 53 -2.898 7.602 -5.571 378 HB ILE 53 HB ILE 53 -3.773 8.328 -2.776 379 HG12 ILE 53 2HG1 ILE 53 -1.329 9.016 -4.444 380 HG13 ILE 53 1HG1 ILE 53 -2.678 10.111 -4.100 381 HG21 ILE 53 1HG2 ILE 53 -1.611 7.161 -2.122 382 HG22 ILE 53 2HG2 ILE 53 -1.537 6.527 -3.760 383 HG23 ILE 53 3HG2 ILE 53 -2.867 6.078 -2.698 384 HD11 ILE 53 3HD1 ILE 53 -2.214 9.793 -1.656 385 HD12 ILE 53 1HD1 ILE 53 -0.882 10.559 -2.515 386 HD13 ILE 53 2HD1 ILE 53 -0.788 8.854 -2.093 387 H ALA 54 H ALA 54 -5.839 7.294 -3.601 388 HA ALA 54 HA ALA 54 -5.771 4.564 -3.162 389 HB1 ALA 54 1HB ALA 54 -7.447 5.975 -2.109 390 HB2 ALA 54 2HB ALA 54 -8.250 4.686 -3.006 391 HB3 ALA 54 3HB ALA 54 -8.186 6.318 -3.674 392 H ALA 55 H ALA 55 -7.075 6.334 -5.944 393 HA ALA 55 HA ALA 55 -8.006 4.064 -7.361 394 HB1 ALA 55 1HB ALA 55 -8.167 5.540 -9.266 395 HB2 ALA 55 2HB ALA 55 -7.082 6.705 -8.506 396 HB3 ALA 55 3HB ALA 55 -8.684 6.419 -7.827 397 H GLU 56 H GLU 56 -4.901 5.717 -7.253 398 HA GLU 56 HA GLU 56 -3.751 4.277 -9.456 399 HB2 GLU 56 2HB GLU 56 -2.854 6.251 -7.447 400 HB3 GLU 56 1HB GLU 56 -1.585 5.160 -7.984 401 HG2 GLU 56 2HG GLU 56 -1.583 7.110 -9.418 402 HG3 GLU 56 1HG GLU 56 -2.167 5.740 -10.355 403 H LEU 57 H LEU 57 -3.311 3.977 -5.917 404 HA LEU 57 HA LEU 57 -1.554 1.747 -6.018 405 HB2 LEU 57 2HB LEU 57 -3.555 2.514 -3.871 406 HB3 LEU 57 1HB LEU 57 -2.193 1.431 -3.646 407 HG LEU 57 HG LEU 57 -2.049 4.355 -4.380 408 HD11 LEU 57 1HD1 LEU 57 -2.675 3.850 -2.026 409 HD12 LEU 57 2HD1 LEU 57 -1.107 4.650 -2.151 410 HD13 LEU 57 3HD1 LEU 57 -1.192 2.913 -1.863 411 HD21 LEU 57 3HD2 LEU 57 0.448 3.963 -3.853 412 HD22 LEU 57 1HD2 LEU 57 -0.150 3.420 -5.414 413 HD23 LEU 57 2HD2 LEU 57 0.097 2.260 -4.111 414 H GLU 58 H GLU 58 -5.086 1.945 -5.793 415 HA GLU 58 HA GLU 58 -5.405 -0.896 -5.598 416 HB2 GLU 58 2HB GLU 58 -7.747 -0.491 -5.780 417 HB3 GLU 58 1HB GLU 58 -7.065 0.756 -4.773 418 HG2 GLU 58 2HG GLU 58 -8.364 2.065 -6.186 419 HG3 GLU 58 1HG GLU 58 -6.861 2.050 -7.080 420 H ASP 59 H ASP 59 -5.680 1.444 -8.269 421 HA ASP 59 HA ASP 59 -6.644 -0.269 -10.244 422 HB2 ASP 59 2HB ASP 59 -6.545 2.072 -10.708 423 HB3 ASP 59 1HB ASP 59 -4.805 2.126 -10.425 424 H HIS 60 H HIS 60 -3.536 -0.037 -8.779 425 HA HIS 60 HA HIS 60 -2.023 -1.395 -10.805 426 HB2 HIS 60 2HB HIS 60 -1.608 -0.655 -7.932 427 HB3 HIS 60 1HB HIS 60 -0.593 -1.948 -8.558 428 HD1 HIS 60 1HD HIS 60 -1.716 1.527 -9.700 429 HD2 HIS 60 2HD HIS 60 1.626 -0.957 -9.900 430 HE1 HIS 60 1HE HIS 60 0.062 2.822 -10.951 431 HE2 HIS 60 2HE HIS 60 2.107 1.322 -11.081 432 H LEU 61 H LEU 61 -3.829 -2.478 -7.993 433 HA LEU 61 HA LEU 61 -3.207 -5.291 -8.665 434 HB2 LEU 61 2HB LEU 61 -4.434 -4.582 -6.036 435 HB3 LEU 61 1HB LEU 61 -3.163 -5.733 -6.402 436 HG LEU 61 HG LEU 61 -2.806 -2.716 -6.435 437 HD11 LEU 61 1HD1 LEU 61 -1.737 -2.911 -4.374 438 HD12 LEU 61 2HD1 LEU 61 -1.869 -4.666 -4.369 439 HD13 LEU 61 3HD1 LEU 61 -3.315 -3.665 -4.208 440 HD21 LEU 61 3HD2 LEU 61 -0.668 -4.846 -6.295 441 HD22 LEU 61 1HD2 LEU 61 -0.487 -3.130 -6.668 442 HD23 LEU 61 2HD2 LEU 61 -1.244 -4.216 -7.831 443 H ASP 62 H ASP 62 -5.452 -3.456 -9.824 444 HA ASP 62 HA ASP 62 -7.728 -3.577 -10.190 445 HB2 ASP 62 2HB ASP 62 -6.816 -6.439 -10.117 446 HB3 ASP 62 1HB ASP 62 -8.397 -5.927 -10.697 447 H VAL 63 H VAL 63 -7.970 -2.848 -7.822 448 HA VAL 63 HA VAL 63 -9.834 -4.703 -6.523 449 HB VAL 63 HB VAL 63 -8.609 -4.066 -4.283 450 HG11 VAL 63 1HG1 VAL 63 -6.998 -5.983 -4.620 451 HG12 VAL 63 2HG1 VAL 63 -7.521 -6.042 -6.296 452 HG13 VAL 63 3HG1 VAL 63 -8.678 -6.354 -5.005 453 HG21 VAL 63 3HG2 VAL 63 -6.443 -3.649 -6.371 454 HG22 VAL 63 1HG2 VAL 63 -6.130 -3.890 -4.653 455 HG23 VAL 63 2HG2 VAL 63 -7.025 -2.483 -5.190 456 H SER 64 H SER 64 -11.201 -3.641 -4.949 457 HA SER 64 HA SER 64 -11.364 -0.704 -5.373 458 HB2 SER 64 2HB SER 64 -13.781 -1.014 -4.814 459 HB3 SER 64 1HB SER 64 -13.289 -1.850 -6.284 460 HG SER 64 HG SER 64 -12.835 -3.578 -4.456 461 H LEU 65 H LEU 65 -11.409 0.611 -3.610 462 HA LEU 65 HA LEU 65 -11.140 -0.675 -0.949 463 HB2 LEU 65 2HB LEU 65 -10.337 2.185 -1.381 464 HB3 LEU 65 1HB LEU 65 -9.642 0.964 -0.319 465 HG LEU 65 HG LEU 65 -8.927 -0.234 -2.518 466 HD11 LEU 65 1HD1 LEU 65 -9.348 0.782 -4.496 467 HD12 LEU 65 2HD1 LEU 65 -8.645 2.299 -3.939 468 HD13 LEU 65 3HD1 LEU 65 -10.342 1.960 -3.649 469 HD21 LEU 65 3HD2 LEU 65 -7.583 2.423 -1.966 470 HD22 LEU 65 1HD2 LEU 65 -6.830 0.920 -2.490 471 HD23 LEU 65 2HD2 LEU 65 -7.455 1.063 -0.851 472 H ASP 66 H ASP 66 -12.155 0.359 0.835 473 HA ASP 66 HA ASP 66 -14.677 1.624 0.056 474 HB2 ASP 66 2HB ASP 66 -13.869 -0.310 2.040 475 HB3 ASP 66 1HB ASP 66 -14.693 1.029 2.836 476 HA PRO 67 HA PRO 67 -13.625 5.699 1.500 477 HB2 PRO 67 2HB PRO 67 -16.134 5.640 3.141 478 HB3 PRO 67 1HB PRO 67 -15.591 6.842 1.956 479 HG2 PRO 67 2HG PRO 67 -17.520 5.056 1.403 480 HG3 PRO 67 1HG PRO 67 -16.387 5.641 0.172 481 HD2 PRO 67 2HD PRO 67 -16.490 2.972 1.510 482 HD3 PRO 67 1HD PRO 67 -15.870 3.426 -0.093 483 H THR 68 H THR 68 -15.402 4.229 4.225 484 HA THR 68 HA THR 68 -13.706 5.326 6.213 485 HB THR 68 HB THR 68 -15.784 4.792 7.089 486 HG1 THR 68 1HG THR 68 -14.127 2.539 7.533 487 HG21 THR 68 3HG2 THR 68 -15.608 2.330 5.349 488 HG22 THR 68 1HG2 THR 68 -16.773 3.651 5.259 489 HG23 THR 68 2HG2 THR 68 -16.843 2.502 6.595 490 H LEU 69 H LEU 69 -13.370 2.610 4.188 491 HA LEU 69 HA LEU 69 -11.714 1.041 5.943 492 HB2 LEU 69 2HB LEU 69 -13.002 0.031 4.116 493 HB3 LEU 69 1HB LEU 69 -12.031 0.901 2.934 494 HG LEU 69 HG LEU 69 -10.788 -0.920 5.009 495 HD11 LEU 69 1HD1 LEU 69 -11.932 -1.601 2.303 496 HD12 LEU 69 2HD1 LEU 69 -12.287 -2.354 3.857 497 HD13 LEU 69 3HD1 LEU 69 -10.716 -2.604 3.094 498 HD21 LEU 69 3HD2 LEU 69 -9.239 -1.009 2.700 499 HD22 LEU 69 1HD2 LEU 69 -8.918 0.020 4.092 500 HD23 LEU 69 2HD2 LEU 69 -9.797 0.658 2.699 501 H ILE 70 H ILE 70 -11.111 3.324 3.282 502 HA ILE 70 HA ILE 70 -8.345 3.037 3.096 503 HB ILE 70 HB ILE 70 -10.093 5.477 2.699 504 HG12 ILE 70 2HG1 ILE 70 -8.709 3.733 0.645 505 HG13 ILE 70 1HG1 ILE 70 -10.328 3.368 1.235 506 HG21 ILE 70 1HG2 ILE 70 -7.150 5.014 2.189 507 HG22 ILE 70 2HG2 ILE 70 -7.902 6.339 3.078 508 HG23 ILE 70 3HG2 ILE 70 -8.069 6.247 1.325 509 HD11 ILE 70 3HD1 ILE 70 -9.436 5.894 -0.185 510 HD12 ILE 70 1HD1 ILE 70 -11.024 5.690 0.559 511 HD13 ILE 70 2HD1 ILE 70 -10.550 4.666 -0.795 512 H TRP 71 H TRP 71 -10.307 4.837 5.378 513 HA TRP 71 HA TRP 71 -8.002 6.020 6.708 514 HB2 TRP 71 2HB TRP 71 -10.964 6.049 7.320 515 HB3 TRP 71 1HB TRP 71 -9.752 6.847 8.324 516 HD1 TRP 71 HD TRP 71 -11.839 7.366 5.311 517 HE1 TRP 71 1HE TRP 71 -11.144 9.530 4.091 518 HE3 TRP 71 3HE TRP 71 -7.443 8.357 7.711 519 HZ2 TRP 71 2HZ TRP 71 -8.997 11.431 4.126 520 HZ3 TRP 71 3HZ TRP 71 -6.097 10.345 7.103 521 HH2 TRP 71 HH TRP 71 -6.868 11.882 5.316 522 H ASP 72 H ASP 72 -9.390 3.016 6.668 523 HA ASP 72 HA ASP 72 -9.083 2.407 9.517 524 HB2 ASP 72 2HB ASP 72 -10.909 1.384 8.115 525 HB3 ASP 72 1HB ASP 72 -9.659 0.475 7.259 526 H HIS 73 H HIS 73 -7.461 1.831 6.452 527 HA HIS 73 HA HIS 73 -5.154 0.638 7.903 528 HB2 HIS 73 2HB HIS 73 -5.940 0.084 5.037 529 HB3 HIS 73 1HB HIS 73 -4.749 -0.776 6.018 530 HD1 HIS 73 1HD HIS 73 -6.709 -0.801 8.603 531 HD2 HIS 73 2HD HIS 73 -7.602 -2.207 4.782 532 HE1 HIS 73 1HE HIS 73 -8.615 -2.449 8.870 533 HE2 HIS 73 2HE HIS 73 -9.160 -3.324 6.552 534 HA PRO 74 HA PRO 74 -3.958 4.521 5.448 535 HB2 PRO 74 2HB PRO 74 -3.283 6.129 7.546 536 HB3 PRO 74 1HB PRO 74 -4.948 5.986 6.955 537 HG2 PRO 74 2HG PRO 74 -3.649 4.606 9.266 538 HG3 PRO 74 1HG PRO 74 -5.220 5.433 9.193 539 HD2 PRO 74 2HD PRO 74 -5.025 2.735 8.992 540 HD3 PRO 74 1HD PRO 74 -6.253 3.664 8.102 541 H THR 75 H THR 75 -2.602 2.199 7.368 542 HA THR 75 HA THR 75 0.168 3.202 6.931 543 HB THR 75 HB THR 75 0.771 1.693 8.875 544 HG1 THR 75 1HG THR 75 -1.375 1.631 10.218 545 HG21 THR 75 3HG2 THR 75 -1.005 4.109 9.217 546 HG22 THR 75 1HG2 THR 75 0.757 4.031 9.290 547 HG23 THR 75 2HG2 THR 75 -0.213 3.325 10.583 548 H ILE 76 H ILE 76 1.729 1.718 6.314 549 HA ILE 76 HA ILE 76 0.955 -0.227 4.449 550 HB ILE 76 HB ILE 76 3.601 0.178 5.873 551 HG12 ILE 76 2HG1 ILE 76 2.503 0.996 3.162 552 HG13 ILE 76 1HG1 ILE 76 2.925 2.067 4.494 553 HG21 ILE 76 1HG2 ILE 76 4.579 -1.215 4.070 554 HG22 ILE 76 2HG2 ILE 76 2.966 -1.518 3.428 555 HG23 ILE 76 3HG2 ILE 76 3.425 -2.153 5.004 556 HD11 ILE 76 3HD1 ILE 76 5.287 0.641 4.067 557 HD12 ILE 76 1HD1 ILE 76 4.944 2.268 3.476 558 HD13 ILE 76 2HD1 ILE 76 4.643 0.871 2.450 559 H ASP 77 H ASP 77 1.901 -0.507 7.849 560 HA ASP 77 HA ASP 77 2.180 -3.259 8.056 561 HB2 ASP 77 2HB ASP 77 2.643 -1.735 9.911 562 HB3 ASP 77 1HB ASP 77 0.932 -1.338 10.035 563 H ALA 78 H ALA 78 -0.818 -1.352 8.508 564 HA ALA 78 HA ALA 78 -2.512 -3.604 8.818 565 HB1 ALA 78 1HB ALA 78 -3.175 -0.806 7.866 566 HB2 ALA 78 2HB ALA 78 -3.188 -1.363 9.538 567 HB3 ALA 78 3HB ALA 78 -4.351 -2.015 8.384 568 H LEU 79 H LEU 79 -1.733 -1.582 6.003 569 HA LEU 79 HA LEU 79 -3.423 -2.867 4.165 570 HB2 LEU 79 2HB LEU 79 -1.699 -0.708 4.116 571 HB3 LEU 79 1HB LEU 79 -0.871 -1.842 3.073 572 HG LEU 79 HG LEU 79 -2.313 -0.511 1.685 573 HD11 LEU 79 1HD1 LEU 79 -4.066 -2.920 1.834 574 HD12 LEU 79 2HD1 LEU 79 -2.350 -3.226 1.604 575 HD13 LEU 79 3HD1 LEU 79 -3.221 -2.213 0.455 576 HD21 LEU 79 3HD2 LEU 79 -4.863 -1.368 3.000 577 HD22 LEU 79 1HD2 LEU 79 -4.453 0.161 2.229 578 HD23 LEU 79 2HD2 LEU 79 -3.918 -0.165 3.873 579 H SER 80 H SER 80 -0.044 -3.506 5.060 580 HA SER 80 HA SER 80 0.512 -5.488 3.164 581 HB2 SER 80 2HB SER 80 1.549 -5.157 5.990 582 HB3 SER 80 1HB SER 80 2.237 -6.257 4.799 583 HG SER 80 HG SER 80 1.999 -3.430 4.612 584 H THR 81 H THR 81 -0.757 -5.723 6.461 585 HA THR 81 HA THR 81 -1.030 -8.509 6.585 586 HB THR 81 HB THR 81 -2.792 -6.389 7.830 587 HG1 THR 81 1HG THR 81 -0.391 -6.642 8.249 588 HG21 THR 81 3HG2 THR 81 -2.542 -9.366 8.272 589 HG22 THR 81 1HG2 THR 81 -4.001 -8.435 7.935 590 HG23 THR 81 2HG2 THR 81 -3.203 -8.287 9.501 591 H ALA 82 H ALA 82 -3.276 -6.032 5.406 592 HA ALA 82 HA ALA 82 -5.356 -7.837 4.707 593 HB1 ALA 82 1HB ALA 82 -6.291 -5.985 3.443 594 HB2 ALA 82 2HB ALA 82 -4.753 -5.125 3.505 595 HB3 ALA 82 3HB ALA 82 -5.678 -5.385 4.983 596 H LEU 83 H LEU 83 -2.538 -6.545 2.907 597 HA LEU 83 HA LEU 83 -3.281 -7.442 0.375 598 HB2 LEU 83 2HB LEU 83 -1.274 -5.947 1.329 599 HB3 LEU 83 1HB LEU 83 -0.401 -7.460 1.157 600 HG LEU 83 HG LEU 83 -0.125 -6.363 -0.891 601 HD11 LEU 83 1HD1 LEU 83 -2.474 -8.095 -1.562 602 HD12 LEU 83 2HD1 LEU 83 -0.923 -8.751 -1.038 603 HD13 LEU 83 3HD1 LEU 83 -1.022 -7.791 -2.506 604 HD21 LEU 83 3HD2 LEU 83 -1.599 -5.069 -2.026 605 HD22 LEU 83 1HD2 LEU 83 -2.095 -4.775 -0.368 606 HD23 LEU 83 2HD2 LEU 83 -3.010 -5.901 -1.372 607 H VAL 84 H VAL 84 -1.142 -8.957 2.790 608 HA VAL 84 HA VAL 84 -0.724 -11.320 1.302 609 HB VAL 84 HB VAL 84 0.749 -10.592 3.140 610 HG11 VAL 84 1HG1 VAL 84 -1.013 -9.790 4.658 611 HG12 VAL 84 2HG1 VAL 84 0.051 -10.932 5.467 612 HG13 VAL 84 3HG1 VAL 84 -1.548 -11.443 4.928 613 HG21 VAL 84 3HG2 VAL 84 0.966 -12.852 4.227 614 HG22 VAL 84 1HG2 VAL 84 0.853 -12.925 2.468 615 HG23 VAL 84 2HG2 VAL 84 -0.549 -13.319 3.466 616 H ALA 85 H ALA 85 -3.288 -10.252 3.433 617 HA ALA 85 HA ALA 85 -4.430 -12.771 4.004 618 HB1 ALA 85 1HB ALA 85 -5.926 -10.175 3.592 619 HB2 ALA 85 2HB ALA 85 -5.038 -10.554 5.066 620 HB3 ALA 85 3HB ALA 85 -6.413 -11.548 4.585 621 H GLU 86 H GLU 86 -4.804 -10.507 1.288 622 HA GLU 86 HA GLU 86 -6.914 -11.701 -0.059 623 HB2 GLU 86 2HB GLU 86 -4.436 -10.396 -1.203 624 HB3 GLU 86 1HB GLU 86 -5.850 -10.829 -2.157 625 HG2 GLU 86 2HG GLU 86 -5.929 -9.009 0.259 626 HG3 GLU 86 1HG GLU 86 -5.844 -8.437 -1.404 627 H LEU 87 H LEU 87 -3.792 -12.982 0.525 628 HA LEU 87 HA LEU 87 -4.016 -14.997 -1.623 629 HB2 LEU 87 2HB LEU 87 -1.855 -13.766 -1.293 630 HB3 LEU 87 1HB LEU 87 -1.727 -14.504 0.301 631 HG LEU 87 HG LEU 87 -1.791 -16.755 -0.785 632 HD11 LEU 87 1HD1 LEU 87 -2.844 -16.588 -2.849 633 HD12 LEU 87 2HD1 LEU 87 -1.162 -16.532 -3.371 634 HD13 LEU 87 3HD1 LEU 87 -2.092 -15.039 -3.230 635 HD21 LEU 87 3HD2 LEU 87 0.331 -14.740 -1.508 636 HD22 LEU 87 1HD2 LEU 87 0.499 -16.443 -1.944 637 HD23 LEU 87 2HD2 LEU 87 0.367 -15.974 -0.249 638 H ARG 88 H ARG 88 -4.555 -14.559 1.727 639 HA ARG 88 HA ARG 88 -4.213 -17.363 2.442 640 HB2 ARG 88 2HB ARG 88 -5.273 -14.999 4.010 641 HB3 ARG 88 1HB ARG 88 -5.001 -16.608 4.673 642 HG2 ARG 88 2HG ARG 88 -2.657 -15.452 3.229 643 HG3 ARG 88 1HG ARG 88 -3.112 -14.598 4.699 644 HD2 ARG 88 2HD ARG 88 -1.449 -16.373 5.148 645 HD3 ARG 88 1HD ARG 88 -2.966 -16.671 5.991 646 HE ARG 88 HE ARG 88 -2.830 -17.977 3.423 647 HH11 ARG 88 1HH2 ARG 88 -1.949 -18.109 6.767 648 HH12 ARG 88 2HH2 ARG 88 -1.871 -19.838 6.821 649 HH21 ARG 88 1HH1 ARG 88 -2.732 -20.248 3.487 650 HH22 ARG 88 2HH1 ARG 88 -2.315 -21.049 4.965 651 H SER 89 H SER 89 -6.383 -17.603 4.211 652 HA SER 89 HA SER 89 -8.841 -17.314 2.678 653 HB2 SER 89 2HB SER 89 -7.893 -20.079 3.452 654 HB3 SER 89 1HB SER 89 -9.345 -19.659 2.546 655 HG SER 89 HG SER 89 -6.700 -19.041 1.720 656 H ALA 90 H ALA 90 -8.755 -15.968 4.801 657 HA ALA 90 HA ALA 90 -9.527 -15.616 6.938 658 HB1 ALA 90 1HB ALA 90 -11.567 -16.539 5.687 659 HB2 ALA 90 2HB ALA 90 -11.607 -16.619 7.448 660 HB3 ALA 90 3HB ALA 90 -11.235 -18.064 6.508 Start of MODEL 21 1 H1 GLY 1 1HT GLY 1 -12.206 -8.211 -3.163 2 H2 GLY 1 2HT GLY 1 -12.450 -9.625 -4.071 3 H3 GLY 1 3HT GLY 1 -11.369 -8.436 -4.620 4 HA2 GLY 1 2HA GLY 1 -9.699 -9.338 -3.509 5 HA3 GLY 1 1HA GLY 1 -10.634 -9.235 -2.017 6 H HIS 2 H HIS 2 -12.419 -10.887 -4.288 7 HA HIS 2 HA HIS 2 -11.969 -13.426 -2.944 8 HB2 HIS 2 2HB HIS 2 -13.886 -12.560 -5.116 9 HB3 HIS 2 1HB HIS 2 -13.816 -14.201 -4.470 10 HD1 HIS 2 1HD HIS 2 -13.917 -14.186 -1.654 11 HD2 HIS 2 2HD HIS 2 -15.663 -11.003 -3.702 12 HE1 HIS 2 1HE HIS 2 -15.529 -13.092 -0.035 13 HE2 HIS 2 2HE HIS 2 -16.602 -11.150 -1.270 14 H MET 3 H MET 3 -10.652 -11.825 -5.597 15 HA MET 3 HA MET 3 -9.605 -14.378 -6.695 16 HB2 MET 3 2HB MET 3 -9.616 -13.197 -8.947 17 HB3 MET 3 1HB MET 3 -11.195 -13.643 -8.310 18 HG2 MET 3 2HG MET 3 -11.611 -11.395 -7.536 19 HG3 MET 3 1HG MET 3 -9.969 -10.895 -7.927 20 HE1 MET 3 3HE MET 3 -10.735 -8.806 -9.772 21 HE2 MET 3 1HE MET 3 -11.974 -9.236 -8.586 22 HE3 MET 3 2HE MET 3 -12.405 -9.034 -10.282 23 H SER 4 H SER 4 -8.482 -11.955 -8.562 24 HA SER 4 HA SER 4 -6.444 -10.945 -8.799 25 HB2 SER 4 2HB SER 4 -5.683 -9.620 -6.970 26 HB3 SER 4 1HB SER 4 -7.440 -9.620 -6.883 27 HG SER 4 HG SER 4 -7.333 -11.142 -5.260 28 H ASP 5 H ASP 5 -4.818 -11.269 -5.997 29 HA ASP 5 HA ASP 5 -3.314 -12.742 -5.116 30 HB2 ASP 5 2HB ASP 5 -3.685 -14.987 -5.326 31 HB3 ASP 5 1HB ASP 5 -5.161 -14.498 -6.141 32 H LEU 6 H LEU 6 -3.516 -11.713 -8.314 33 HA LEU 6 HA LEU 6 -1.859 -11.003 -9.721 34 HB2 LEU 6 2HB LEU 6 -0.500 -10.985 -7.423 35 HB3 LEU 6 1HB LEU 6 0.322 -12.351 -8.145 36 HG LEU 6 HG LEU 6 -0.013 -9.724 -9.593 37 HD11 LEU 6 1HD1 LEU 6 1.245 -9.493 -7.436 38 HD12 LEU 6 2HD1 LEU 6 2.198 -9.142 -8.877 39 HD13 LEU 6 3HD1 LEU 6 2.396 -10.683 -8.049 40 HD21 LEU 6 3HD2 LEU 6 0.477 -11.553 -11.081 41 HD22 LEU 6 1HD2 LEU 6 1.693 -12.201 -9.979 42 HD23 LEU 6 2HD2 LEU 6 1.991 -10.687 -10.828 43 H SER 7 H SER 7 -0.113 -13.868 -8.667 44 HA SER 7 HA SER 7 -1.162 -15.651 -10.582 45 HB2 SER 7 2HB SER 7 1.243 -14.030 -11.339 46 HB3 SER 7 1HB SER 7 1.100 -15.689 -11.907 47 HG SER 7 HG SER 7 -0.196 -14.910 -13.361 48 H THR 8 H THR 8 2.264 -15.568 -10.290 49 HA THR 8 HA THR 8 2.627 -18.090 -9.407 50 HB THR 8 HB THR 8 4.366 -15.809 -8.470 51 HG1 THR 8 1HG THR 8 4.348 -17.162 -10.960 52 HG21 THR 8 3HG2 THR 8 4.959 -17.990 -7.563 53 HG22 THR 8 1HG2 THR 8 6.142 -17.538 -8.791 54 HG23 THR 8 2HG2 THR 8 4.883 -18.713 -9.171 55 H ALA 9 H ALA 9 2.442 -15.197 -7.353 56 HA ALA 9 HA ALA 9 0.857 -15.738 -5.352 57 HB1 ALA 9 1HB ALA 9 3.108 -17.692 -5.056 58 HB2 ALA 9 2HB ALA 9 1.369 -17.983 -5.002 59 HB3 ALA 9 3HB ALA 9 2.161 -17.154 -3.662 60 HA PRO 10 HA PRO 10 3.808 -12.270 -4.528 61 HB2 PRO 10 2HB PRO 10 1.317 -11.317 -3.152 62 HB3 PRO 10 1HB PRO 10 2.382 -10.441 -4.278 63 HG2 PRO 10 2HG PRO 10 -0.001 -11.337 -5.049 64 HG3 PRO 10 1HG PRO 10 1.400 -11.373 -6.125 65 HD2 PRO 10 2HD PRO 10 0.112 -13.634 -4.668 66 HD3 PRO 10 1HD PRO 10 0.883 -13.611 -6.268 67 H THR 11 H THR 11 5.015 -11.943 -2.688 68 HA THR 11 HA THR 11 4.207 -13.437 -0.257 69 HB THR 11 HB THR 11 6.960 -12.472 -1.064 70 HG1 THR 11 1HG THR 11 7.196 -14.321 -2.053 71 HG21 THR 11 3HG2 THR 11 7.579 -14.245 0.669 72 HG22 THR 11 1HG2 THR 11 5.883 -14.224 1.149 73 HG23 THR 11 2HG2 THR 11 6.860 -12.763 1.295 74 H LEU 12 H LEU 12 4.643 -12.485 1.797 75 HA LEU 12 HA LEU 12 3.629 -9.960 2.193 76 HB2 LEU 12 2HB LEU 12 5.583 -11.568 3.845 77 HB3 LEU 12 1HB LEU 12 4.930 -10.027 4.401 78 HG LEU 12 HG LEU 12 2.627 -10.939 4.055 79 HD11 LEU 12 1HD1 LEU 12 4.233 -13.390 3.318 80 HD12 LEU 12 2HD1 LEU 12 2.857 -12.680 2.482 81 HD13 LEU 12 3HD1 LEU 12 2.609 -13.553 3.989 82 HD21 LEU 12 3HD2 LEU 12 3.745 -10.987 6.277 83 HD22 LEU 12 1HD2 LEU 12 4.382 -12.587 5.901 84 HD23 LEU 12 2HD2 LEU 12 2.643 -12.347 6.063 85 H ASP 13 H ASP 13 7.013 -10.882 1.731 86 HA ASP 13 HA ASP 13 8.079 -8.281 2.158 87 HB2 ASP 13 2HB ASP 13 9.364 -10.320 0.366 88 HB3 ASP 13 1HB ASP 13 10.126 -9.145 1.429 89 H SER 14 H SER 14 6.924 -10.014 -0.735 90 HA SER 14 HA SER 14 7.841 -8.117 -2.624 91 HB2 SER 14 2HB SER 14 6.354 -9.207 -4.151 92 HB3 SER 14 1HB SER 14 7.203 -10.411 -3.192 93 HG SER 14 HG SER 14 4.561 -9.980 -3.409 94 H LEU 15 H LEU 15 4.794 -8.491 -0.833 95 HA LEU 15 HA LEU 15 3.524 -6.314 -2.146 96 HB2 LEU 15 2HB LEU 15 2.875 -7.500 0.565 97 HB3 LEU 15 1HB LEU 15 1.790 -6.578 -0.454 98 HG LEU 15 HG LEU 15 3.045 -9.200 -1.267 99 HD11 LEU 15 1HD1 LEU 15 0.393 -8.527 -0.015 100 HD12 LEU 15 2HD1 LEU 15 1.565 -9.737 0.495 101 HD13 LEU 15 3HD1 LEU 15 0.619 -9.989 -0.974 102 HD21 LEU 15 3HD2 LEU 15 1.083 -9.041 -2.943 103 HD22 LEU 15 1HD2 LEU 15 2.482 -8.017 -3.235 104 HD23 LEU 15 2HD2 LEU 15 1.025 -7.335 -2.509 105 H ARG 16 H ARG 16 4.427 -6.607 1.268 106 HA ARG 16 HA ARG 16 4.250 -4.091 2.177 107 HB2 ARG 16 2HB ARG 16 5.171 -5.871 3.548 108 HB3 ARG 16 1HB ARG 16 6.634 -5.897 2.569 109 HG2 ARG 16 2HG ARG 16 5.953 -3.215 3.679 110 HG3 ARG 16 1HG ARG 16 6.371 -4.419 4.893 111 HD2 ARG 16 2HD ARG 16 8.456 -4.917 3.551 112 HD3 ARG 16 1HD ARG 16 8.064 -3.544 2.536 113 HE ARG 16 HE ARG 16 8.053 -2.763 5.256 114 HH11 ARG 16 1HH2 ARG 16 10.111 -3.704 2.639 115 HH12 ARG 16 2HH2 ARG 16 11.473 -2.791 3.200 116 HH21 ARG 16 1HH1 ARG 16 9.829 -1.566 5.997 117 HH22 ARG 16 2HH1 ARG 16 11.311 -1.580 5.103 118 H VAL 17 H VAL 17 7.132 -5.250 0.374 119 HA VAL 17 HA VAL 17 8.458 -2.771 0.246 120 HB VAL 17 HB VAL 17 9.732 -3.770 -1.604 121 HG11 VAL 17 1HG1 VAL 17 9.097 -5.360 0.883 122 HG12 VAL 17 2HG1 VAL 17 10.599 -4.575 0.411 123 HG13 VAL 17 3HG1 VAL 17 10.140 -6.111 -0.335 124 HG21 VAL 17 3HG2 VAL 17 8.162 -4.875 -2.952 125 HG22 VAL 17 1HG2 VAL 17 7.415 -5.621 -1.557 126 HG23 VAL 17 2HG2 VAL 17 8.950 -6.226 -2.132 127 H TRP 18 H TRP 18 6.012 -4.257 -1.861 128 HA TRP 18 HA TRP 18 6.135 -2.379 -3.962 129 HB2 TRP 18 2HB TRP 18 4.461 -3.693 -4.791 130 HB3 TRP 18 1HB TRP 18 4.553 -4.611 -3.296 131 HD1 TRP 18 HD TRP 18 2.486 -4.436 -1.671 132 HE1 TRP 18 1HE TRP 18 0.356 -3.115 -1.622 133 HE3 TRP 18 3HE TRP 18 3.357 -1.237 -5.558 134 HZ2 TRP 18 2HZ TRP 18 -0.865 -0.981 -3.009 135 HZ3 TRP 18 3HZ TRP 18 1.670 0.428 -6.156 136 HH2 TRP 18 HH TRP 18 -0.444 0.542 -4.873 137 H LEU 19 H LEU 19 4.086 -2.420 -1.049 138 HA LEU 19 HA LEU 19 2.651 -0.075 -1.548 139 HB2 LEU 19 2HB LEU 19 3.289 -1.780 0.771 140 HB3 LEU 19 1HB LEU 19 2.992 -0.108 1.208 141 HG LEU 19 HG LEU 19 1.024 -1.294 -0.700 142 HD11 LEU 19 1HD1 LEU 19 -0.205 -2.414 1.039 143 HD12 LEU 19 2HD1 LEU 19 1.087 -2.096 2.193 144 HD13 LEU 19 3HD1 LEU 19 1.372 -3.158 0.811 145 HD21 LEU 19 3HD2 LEU 19 1.084 1.057 0.472 146 HD22 LEU 19 1HD2 LEU 19 0.393 0.177 1.838 147 HD23 LEU 19 2HD2 LEU 19 -0.438 0.199 0.282 148 H VAL 20 H VAL 20 5.486 -0.356 0.660 149 HA VAL 20 HA VAL 20 5.780 2.404 0.974 150 HB VAL 20 HB VAL 20 6.846 0.660 2.390 151 HG11 VAL 20 1HG1 VAL 20 8.933 0.383 0.228 152 HG12 VAL 20 2HG1 VAL 20 7.533 -0.683 0.308 153 HG13 VAL 20 3HG1 VAL 20 8.670 -0.631 1.648 154 HG21 VAL 20 3HG2 VAL 20 9.014 1.828 2.644 155 HG22 VAL 20 1HG2 VAL 20 7.680 2.958 2.446 156 HG23 VAL 20 2HG2 VAL 20 8.756 2.625 1.094 157 H ASP 21 H ASP 21 7.469 0.184 -1.262 158 HA ASP 21 HA ASP 21 9.094 2.096 -2.484 159 HB2 ASP 21 2HB ASP 21 9.320 -0.369 -2.774 160 HB3 ASP 21 1HB ASP 21 7.864 -0.357 -3.769 161 H CYS 22 H CYS 22 5.747 1.231 -3.037 162 HA CYS 22 HA CYS 22 5.382 2.562 -5.511 163 HB2 CYS 22 2HB CYS 22 3.723 1.005 -4.776 164 HB3 CYS 22 1HB CYS 22 3.429 1.911 -3.303 165 HG CYS 22 HG CYS 22 1.676 3.030 -4.639 166 H VAL 23 H VAL 23 4.854 3.623 -2.150 167 HA VAL 23 HA VAL 23 3.945 6.233 -2.799 168 HB VAL 23 HB VAL 23 5.449 5.304 -0.354 169 HG11 VAL 23 1HG1 VAL 23 5.071 7.874 -0.882 170 HG12 VAL 23 2HG1 VAL 23 4.741 7.259 0.723 171 HG13 VAL 23 3HG1 VAL 23 3.416 7.531 -0.401 172 HG21 VAL 23 3HG2 VAL 23 2.488 5.372 -0.988 173 HG22 VAL 23 1HG2 VAL 23 3.154 5.056 0.620 174 HG23 VAL 23 2HG2 VAL 23 3.470 3.939 -0.712 175 H ALA 24 H ALA 24 7.219 5.020 -1.919 176 HA ALA 24 HA ALA 24 8.654 7.360 -1.970 177 HB1 ALA 24 1HB ALA 24 10.580 6.046 -2.338 178 HB2 ALA 24 2HB ALA 24 9.687 4.853 -3.283 179 HB3 ALA 24 3HB ALA 24 9.451 4.950 -1.540 180 H GLY 25 H GLY 25 8.018 5.238 -4.763 181 HA2 GLY 25 2HA GLY 25 9.206 6.934 -6.691 182 HA3 GLY 25 1HA GLY 25 8.004 5.693 -7.032 183 H HIS 26 H HIS 26 5.842 6.668 -5.540 184 HA HIS 26 HA HIS 26 4.634 8.432 -7.320 185 HB2 HIS 26 2HB HIS 26 3.279 7.132 -5.823 186 HB3 HIS 26 1HB HIS 26 4.045 7.849 -4.419 187 HD1 HIS 26 1HD HIS 26 2.901 9.836 -7.406 188 HD2 HIS 26 2HD HIS 26 1.812 9.204 -3.433 189 HE1 HIS 26 1HE HIS 26 1.129 11.565 -6.879 190 HE2 HIS 26 2HE HIS 26 0.450 11.202 -4.457 191 H LEU 27 H LEU 27 5.951 9.184 -4.057 192 HA LEU 27 HA LEU 27 5.674 12.030 -4.562 193 HB2 LEU 27 2HB LEU 27 6.556 10.286 -2.296 194 HB3 LEU 27 1HB LEU 27 6.980 11.999 -2.265 195 HG LEU 27 HG LEU 27 4.131 11.220 -2.860 196 HD11 LEU 27 1HD1 LEU 27 3.840 11.558 -0.265 197 HD12 LEU 27 2HD1 LEU 27 5.523 11.037 -0.194 198 HD13 LEU 27 3HD1 LEU 27 4.298 9.987 -0.898 199 HD21 LEU 27 3HD2 LEU 27 5.436 13.535 -1.384 200 HD22 LEU 27 1HD2 LEU 27 3.713 13.390 -1.729 201 HD23 LEU 27 2HD2 LEU 27 4.864 13.583 -3.051 202 H GLY 28 H GLY 28 8.241 9.640 -4.496 203 HA2 GLY 28 2HA GLY 28 10.172 9.847 -5.884 204 HA3 GLY 28 1HA GLY 28 10.064 11.595 -5.735 205 H LEU 29 H LEU 29 9.426 10.598 -2.710 206 HA LEU 29 HA LEU 29 12.011 11.273 -1.713 207 HB2 LEU 29 2HB LEU 29 9.691 10.018 -0.243 208 HB3 LEU 29 1HB LEU 29 11.058 10.851 0.483 209 HG LEU 29 HG LEU 29 9.058 12.083 -1.408 210 HD11 LEU 29 1HD1 LEU 29 8.430 13.401 0.670 211 HD12 LEU 29 2HD1 LEU 29 9.387 12.242 1.591 212 HD13 LEU 29 3HD1 LEU 29 7.970 11.698 0.693 213 HD21 LEU 29 3HD2 LEU 29 11.004 13.349 -1.721 214 HD22 LEU 29 1HD2 LEU 29 11.556 13.095 -0.067 215 HD23 LEU 29 2HD2 LEU 29 10.236 14.219 -0.397 216 H ASP 30 H ASP 30 12.689 9.663 0.252 217 HA ASP 30 HA ASP 30 13.609 7.261 -1.149 218 HB2 ASP 30 2HB ASP 30 15.154 8.707 0.205 219 HB3 ASP 30 1HB ASP 30 14.295 8.176 1.642 220 H ALA 31 H ALA 31 12.890 5.255 -0.780 221 HA ALA 31 HA ALA 31 10.490 4.736 0.536 222 HB1 ALA 31 1HB ALA 31 12.572 2.626 0.140 223 HB2 ALA 31 2HB ALA 31 11.713 3.338 -1.227 224 HB3 ALA 31 3HB ALA 31 10.816 2.493 0.035 225 H ALA 32 H ALA 32 13.807 4.570 1.707 226 HA ALA 32 HA ALA 32 13.283 3.123 4.064 227 HB1 ALA 32 1HB ALA 32 15.464 5.151 3.549 228 HB2 ALA 32 2HB ALA 32 15.531 3.456 3.069 229 HB3 ALA 32 3HB ALA 32 15.469 3.886 4.777 230 H THR 33 H THR 33 12.632 6.372 3.193 231 HA THR 33 HA THR 33 11.877 6.963 5.999 232 HB THR 33 HB THR 33 12.472 9.383 5.371 233 HG1 THR 33 1HG THR 33 13.879 9.619 3.709 234 HG21 THR 33 3HG2 THR 33 14.834 9.024 6.007 235 HG22 THR 33 1HG2 THR 33 14.680 7.310 5.618 236 HG23 THR 33 2HG2 THR 33 13.771 7.993 6.965 237 H ILE 34 H ILE 34 10.153 5.854 4.052 238 HA ILE 34 HA ILE 34 8.618 8.062 2.949 239 HB ILE 34 HB ILE 34 8.430 5.069 2.945 240 HG12 ILE 34 2HG1 ILE 34 9.519 6.519 1.176 241 HG13 ILE 34 1HG1 ILE 34 8.298 5.401 0.567 242 HG21 ILE 34 1HG2 ILE 34 6.156 5.406 3.513 243 HG22 ILE 34 2HG2 ILE 34 6.161 5.362 1.762 244 HG23 ILE 34 3HG2 ILE 34 6.084 6.909 2.603 245 HD11 ILE 34 3HD1 ILE 34 7.123 7.120 -0.266 246 HD12 ILE 34 1HD1 ILE 34 8.429 8.191 0.193 247 HD13 ILE 34 2HD1 ILE 34 7.071 7.953 1.283 248 H ALA 35 H ALA 35 7.465 5.408 4.997 249 HA ALA 35 HA ALA 35 6.689 6.850 7.227 250 HB1 ALA 35 1HB ALA 35 4.711 6.961 4.953 251 HB2 ALA 35 2HB ALA 35 5.191 8.237 6.074 252 HB3 ALA 35 3HB ALA 35 4.141 6.941 6.622 253 H THR 36 H THR 36 7.415 4.122 6.018 254 HA THR 36 HA THR 36 5.633 2.164 6.107 255 HB THR 36 HB THR 36 7.318 0.716 6.843 256 HG1 THR 36 1HG THR 36 8.778 2.658 8.196 257 HG21 THR 36 3HG2 THR 36 8.920 3.194 6.163 258 HG22 THR 36 1HG2 THR 36 8.041 2.261 4.951 259 HG23 THR 36 2HG2 THR 36 9.353 1.514 5.859 260 H ASP 37 H ASP 37 6.841 3.792 9.074 261 HA ASP 37 HA ASP 37 4.753 2.412 10.625 262 HB2 ASP 37 2HB ASP 37 6.071 3.235 12.565 263 HB3 ASP 37 1HB ASP 37 6.988 2.174 11.501 264 H LEU 38 H LEU 38 4.443 4.815 8.792 265 HA LEU 38 HA LEU 38 3.015 6.465 10.747 266 HB2 LEU 38 2HB LEU 38 5.041 7.389 8.736 267 HB3 LEU 38 1HB LEU 38 3.753 8.476 9.224 268 HG LEU 38 HG LEU 38 5.381 7.030 11.317 269 HD11 LEU 38 1HD1 LEU 38 6.166 9.509 9.778 270 HD12 LEU 38 2HD1 LEU 38 7.094 8.023 9.981 271 HD13 LEU 38 3HD1 LEU 38 6.845 9.101 11.355 272 HD21 LEU 38 3HD2 LEU 38 3.810 9.614 11.159 273 HD22 LEU 38 1HD2 LEU 38 4.874 9.233 12.508 274 HD23 LEU 38 2HD2 LEU 38 3.482 8.211 12.171 275 HA PRO 39 HA PRO 39 -0.283 6.219 7.832 276 HB2 PRO 39 2HB PRO 39 -1.575 8.610 8.338 277 HB3 PRO 39 1HB PRO 39 -1.660 7.202 9.413 278 HG2 PRO 39 2HG PRO 39 0.042 9.644 9.635 279 HG3 PRO 39 1HG PRO 39 -0.826 8.761 10.902 280 HD2 PRO 39 2HD PRO 39 1.843 8.477 10.511 281 HD3 PRO 39 1HD PRO 39 0.823 7.146 11.091 282 H LEU 40 H LEU 40 -1.415 7.703 6.106 283 HA LEU 40 HA LEU 40 0.597 8.582 4.300 284 HB2 LEU 40 2HB LEU 40 -1.194 8.892 2.730 285 HB3 LEU 40 1HB LEU 40 -1.580 7.444 3.656 286 HG LEU 40 HG LEU 40 -2.690 10.206 4.264 287 HD11 LEU 40 1HD1 LEU 40 -3.529 9.332 2.146 288 HD12 LEU 40 2HD1 LEU 40 -4.784 9.345 3.387 289 HD13 LEU 40 3HD1 LEU 40 -3.989 7.832 2.952 290 HD21 LEU 40 3HD2 LEU 40 -3.029 7.466 5.477 291 HD22 LEU 40 1HD2 LEU 40 -4.302 8.679 5.610 292 HD23 LEU 40 2HD2 LEU 40 -2.713 9.003 6.285 293 H THR 41 H THR 41 -1.355 10.092 6.699 294 HA THR 41 HA THR 41 -1.696 12.656 5.740 295 HB THR 41 HB THR 41 -1.664 13.369 8.107 296 HG1 THR 41 1HG THR 41 0.068 12.034 8.755 297 HG21 THR 41 3HG2 THR 41 -3.551 12.101 8.773 298 HG22 THR 41 1HG2 THR 41 -2.990 10.665 7.918 299 HG23 THR 41 2HG2 THR 41 -3.588 12.055 7.011 300 H SER 42 H SER 42 1.194 11.204 7.229 301 HA SER 42 HA SER 42 2.785 13.349 7.665 302 HB2 SER 42 2HB SER 42 3.515 11.043 8.077 303 HB3 SER 42 1HB SER 42 3.571 10.741 6.339 304 HG SER 42 HG SER 42 5.484 11.579 6.355 305 H TYR 43 H TYR 43 1.933 11.970 4.527 306 HA TYR 43 HA TYR 43 3.796 13.429 2.971 307 HB2 TYR 43 2HB TYR 43 1.051 12.472 2.140 308 HB3 TYR 43 1HB TYR 43 2.429 12.769 1.092 309 HD1 TYR 43 2HD TYR 43 4.641 11.501 2.718 310 HD2 TYR 43 1HD TYR 43 0.647 10.150 1.864 311 HE1 TYR 43 2HE TYR 43 5.356 9.191 3.070 312 HE2 TYR 43 1HE TYR 43 1.399 7.810 2.205 313 HH TYR 43 HH TYR 43 3.365 6.711 3.618 314 H GLY 44 H GLY 44 1.307 14.548 4.823 315 HA2 GLY 44 2HA GLY 44 0.328 16.616 5.020 316 HA3 GLY 44 1HA GLY 44 1.567 17.208 3.914 317 H LEU 45 H LEU 45 -0.312 14.576 2.765 318 HA LEU 45 HA LEU 45 -1.499 16.255 0.724 319 HB2 LEU 45 2HB LEU 45 -1.754 14.305 -0.463 320 HB3 LEU 45 1HB LEU 45 -0.505 13.759 0.646 321 HG LEU 45 HG LEU 45 -3.489 13.357 1.134 322 HD11 LEU 45 1HD1 LEU 45 -2.210 12.093 -0.818 323 HD12 LEU 45 2HD1 LEU 45 -3.435 11.337 0.198 324 HD13 LEU 45 3HD1 LEU 45 -1.727 11.062 0.537 325 HD21 LEU 45 3HD2 LEU 45 -1.698 13.457 3.085 326 HD22 LEU 45 1HD2 LEU 45 -1.227 11.878 2.467 327 HD23 LEU 45 2HD2 LEU 45 -2.865 12.144 3.051 328 H ASP 46 H ASP 46 -3.612 16.739 0.491 329 HA ASP 46 HA ASP 46 -5.344 16.502 2.801 330 HB2 ASP 46 2HB ASP 46 -5.680 17.700 0.061 331 HB3 ASP 46 1HB ASP 46 -7.002 17.634 1.223 332 H SER 47 H SER 47 -7.659 15.818 2.415 333 HA SER 47 HA SER 47 -7.770 13.068 1.867 334 HB2 SER 47 2HB SER 47 -10.104 14.989 1.827 335 HB3 SER 47 1HB SER 47 -10.166 13.253 2.110 336 HG SER 47 HG SER 47 -9.834 15.158 3.883 337 H VAL 48 H VAL 48 -8.296 15.849 -0.183 338 HA VAL 48 HA VAL 48 -9.718 14.774 -2.299 339 HB VAL 48 HB VAL 48 -9.003 17.155 -2.093 340 HG11 VAL 48 1HG1 VAL 48 -6.368 16.357 -3.326 341 HG12 VAL 48 2HG1 VAL 48 -6.551 16.348 -1.573 342 HG13 VAL 48 3HG1 VAL 48 -6.796 17.842 -2.476 343 HG21 VAL 48 3HG2 VAL 48 -8.144 15.853 -4.696 344 HG22 VAL 48 1HG2 VAL 48 -8.725 17.505 -4.485 345 HG23 VAL 48 2HG2 VAL 48 -9.824 16.146 -4.246 346 H TYR 49 H TYR 49 -6.472 14.121 -1.302 347 HA TYR 49 HA TYR 49 -5.690 12.890 -3.821 348 HB2 TYR 49 2HB TYR 49 -4.338 13.080 -1.130 349 HB3 TYR 49 1HB TYR 49 -3.657 12.244 -2.521 350 HD1 TYR 49 1HD TYR 49 -3.675 13.622 -4.783 351 HD2 TYR 49 2HD TYR 49 -3.810 15.324 -0.862 352 HE1 TYR 49 1HE TYR 49 -2.829 15.765 -5.687 353 HE2 TYR 49 2HE TYR 49 -2.966 17.464 -1.747 354 HH TYR 49 HH TYR 49 -2.588 18.656 -3.655 355 H ALA 50 H ALA 50 -6.991 11.912 -0.723 356 HA ALA 50 HA ALA 50 -6.312 9.253 -0.579 357 HB1 ALA 50 1HB ALA 50 -7.701 10.564 1.069 358 HB2 ALA 50 2HB ALA 50 -8.286 8.932 0.745 359 HB3 ALA 50 3HB ALA 50 -9.082 10.318 -0.002 360 H LEU 51 H LEU 51 -8.947 10.692 -2.453 361 HA LEU 51 HA LEU 51 -9.976 8.241 -3.460 362 HB2 LEU 51 2HB LEU 51 -11.128 9.641 -5.114 363 HB3 LEU 51 1HB LEU 51 -11.304 10.267 -3.475 364 HG LEU 51 HG LEU 51 -8.985 11.535 -4.307 365 HD11 LEU 51 1HD1 LEU 51 -9.498 10.557 -6.613 366 HD12 LEU 51 2HD1 LEU 51 -9.215 12.298 -6.543 367 HD13 LEU 51 3HD1 LEU 51 -10.861 11.672 -6.661 368 HD21 LEU 51 3HD2 LEU 51 -10.879 12.570 -3.145 369 HD22 LEU 51 1HD2 LEU 51 -11.830 12.512 -4.627 370 HD23 LEU 51 2HD2 LEU 51 -10.400 13.541 -4.540 371 H SER 52 H SER 52 -7.633 10.578 -4.759 372 HA SER 52 HA SER 52 -7.263 9.216 -7.227 373 HB2 SER 52 2HB SER 52 -6.718 11.672 -6.626 374 HB3 SER 52 1HB SER 52 -5.216 11.031 -5.958 375 HG SER 52 HG SER 52 -4.576 11.121 -7.964 376 H ILE 53 H ILE 53 -5.268 9.435 -4.291 377 HA ILE 53 HA ILE 53 -3.272 7.654 -5.148 378 HB ILE 53 HB ILE 53 -4.194 8.215 -2.313 379 HG12 ILE 53 2HG1 ILE 53 -3.515 10.209 -3.898 380 HG13 ILE 53 1HG1 ILE 53 -2.805 10.102 -2.286 381 HG21 ILE 53 1HG2 ILE 53 -1.650 7.753 -1.940 382 HG22 ILE 53 2HG2 ILE 53 -1.727 6.947 -3.508 383 HG23 ILE 53 3HG2 ILE 53 -2.733 6.385 -2.176 384 HD11 ILE 53 3HD1 ILE 53 -0.742 9.323 -3.097 385 HD12 ILE 53 1HD1 ILE 53 -1.204 10.536 -4.286 386 HD13 ILE 53 2HD1 ILE 53 -1.420 8.825 -4.642 387 H ALA 54 H ALA 54 -5.946 7.054 -2.896 388 HA ALA 54 HA ALA 54 -5.605 4.321 -2.574 389 HB1 ALA 54 1HB ALA 54 -8.279 5.714 -2.783 390 HB2 ALA 54 2HB ALA 54 -7.259 5.746 -1.343 391 HB3 ALA 54 3HB ALA 54 -7.926 4.218 -1.920 392 H ALA 55 H ALA 55 -7.330 6.066 -5.128 393 HA ALA 55 HA ALA 55 -8.308 3.737 -6.460 394 HB1 ALA 55 1HB ALA 55 -9.380 5.852 -6.867 395 HB2 ALA 55 2HB ALA 55 -8.649 5.316 -8.378 396 HB3 ALA 55 3HB ALA 55 -7.866 6.570 -7.418 397 H GLU 56 H GLU 56 -5.413 5.748 -6.854 398 HA GLU 56 HA GLU 56 -4.466 4.509 -9.213 399 HB2 GLU 56 2HB GLU 56 -3.643 6.688 -8.336 400 HB3 GLU 56 1HB GLU 56 -2.856 5.831 -7.011 401 HG2 GLU 56 2HG GLU 56 -1.505 4.553 -8.634 402 HG3 GLU 56 1HG GLU 56 -2.299 5.400 -9.959 403 H LEU 57 H LEU 57 -3.679 3.939 -5.784 404 HA LEU 57 HA LEU 57 -1.781 1.896 -6.163 405 HB2 LEU 57 2HB LEU 57 -3.804 2.231 -3.921 406 HB3 LEU 57 1HB LEU 57 -2.348 1.246 -3.841 407 HG LEU 57 HG LEU 57 -2.226 4.194 -4.488 408 HD11 LEU 57 1HD1 LEU 57 -2.284 2.812 -1.799 409 HD12 LEU 57 2HD1 LEU 57 -3.288 4.153 -2.349 410 HD13 LEU 57 3HD1 LEU 57 -1.573 4.410 -2.022 411 HD21 LEU 57 3HD2 LEU 57 0.078 3.920 -3.585 412 HD22 LEU 57 1HD2 LEU 57 -0.206 2.889 -4.982 413 HD23 LEU 57 2HD2 LEU 57 -0.236 2.206 -3.360 414 H GLU 58 H GLU 58 -5.150 1.368 -5.094 415 HA GLU 58 HA GLU 58 -5.209 -1.376 -5.522 416 HB2 GLU 58 2HB GLU 58 -7.653 -1.140 -5.765 417 HB3 GLU 58 1HB GLU 58 -6.999 -0.239 -4.412 418 HG2 GLU 58 2HG GLU 58 -8.234 1.493 -5.298 419 HG3 GLU 58 1HG GLU 58 -6.839 1.676 -6.352 420 H ASP 59 H ASP 59 -5.670 1.202 -7.879 421 HA ASP 59 HA ASP 59 -6.644 -0.350 -10.013 422 HB2 ASP 59 2HB ASP 59 -5.138 2.240 -9.800 423 HB3 ASP 59 1HB ASP 59 -5.363 1.520 -11.389 424 H HIS 60 H HIS 60 -3.408 0.129 -8.771 425 HA HIS 60 HA HIS 60 -2.089 -1.107 -11.015 426 HB2 HIS 60 2HB HIS 60 -1.221 -0.442 -8.203 427 HB3 HIS 60 1HB HIS 60 -0.162 -1.293 -9.318 428 HD1 HIS 60 1HD HIS 60 -2.551 1.576 -10.070 429 HD2 HIS 60 2HD HIS 60 1.531 0.735 -10.151 430 HE1 HIS 60 1HE HIS 60 -1.427 3.580 -11.137 431 HE2 HIS 60 2HE HIS 60 1.062 3.084 -11.189 432 H LEU 61 H LEU 61 -3.331 -2.238 -7.932 433 HA LEU 61 HA LEU 61 -2.253 -4.890 -8.237 434 HB2 LEU 61 2HB LEU 61 -4.300 -3.818 -6.278 435 HB3 LEU 61 1HB LEU 61 -3.561 -5.412 -6.202 436 HG LEU 61 HG LEU 61 -2.367 -3.930 -4.680 437 HD11 LEU 61 1HD1 LEU 61 -0.512 -4.076 -7.049 438 HD12 LEU 61 2HD1 LEU 61 -1.125 -5.569 -6.326 439 HD13 LEU 61 3HD1 LEU 61 -0.191 -4.435 -5.351 440 HD21 LEU 61 3HD2 LEU 61 -1.674 -1.798 -5.211 441 HD22 LEU 61 1HD2 LEU 61 -3.070 -1.925 -6.248 442 HD23 LEU 61 2HD2 LEU 61 -1.459 -2.154 -6.913 443 H ASP 62 H ASP 62 -5.333 -3.314 -8.819 444 HA ASP 62 HA ASP 62 -6.894 -4.054 -10.417 445 HB2 ASP 62 2HB ASP 62 -5.908 -6.870 -9.911 446 HB3 ASP 62 1HB ASP 62 -6.966 -6.309 -11.184 447 H VAL 63 H VAL 63 -7.704 -3.271 -8.135 448 HA VAL 63 HA VAL 63 -9.752 -5.128 -7.316 449 HB VAL 63 HB VAL 63 -9.016 -4.952 -4.860 450 HG11 VAL 63 1HG1 VAL 63 -7.022 -6.489 -6.504 451 HG12 VAL 63 2HG1 VAL 63 -8.721 -6.972 -6.483 452 HG13 VAL 63 3HG1 VAL 63 -7.789 -6.943 -4.988 453 HG21 VAL 63 3HG2 VAL 63 -6.484 -4.088 -6.280 454 HG22 VAL 63 1HG2 VAL 63 -6.505 -4.705 -4.629 455 HG23 VAL 63 2HG2 VAL 63 -7.362 -3.223 -5.019 456 H SER 64 H SER 64 -11.088 -4.144 -5.489 457 HA SER 64 HA SER 64 -11.181 -1.190 -5.819 458 HB2 SER 64 2HB SER 64 -13.114 -2.203 -6.846 459 HB3 SER 64 1HB SER 64 -13.414 -3.190 -5.419 460 HG SER 64 HG SER 64 -14.295 -0.764 -5.918 461 H LEU 65 H LEU 65 -11.271 0.050 -4.033 462 HA LEU 65 HA LEU 65 -11.045 -1.326 -1.415 463 HB2 LEU 65 2HB LEU 65 -10.349 1.555 -1.987 464 HB3 LEU 65 1HB LEU 65 -9.816 0.533 -0.652 465 HG LEU 65 HG LEU 65 -9.088 0.189 -3.563 466 HD11 LEU 65 1HD1 LEU 65 -7.750 1.448 -1.194 467 HD12 LEU 65 2HD1 LEU 65 -7.647 1.869 -2.900 468 HD13 LEU 65 3HD1 LEU 65 -6.722 0.507 -2.275 469 HD21 LEU 65 3HD2 LEU 65 -9.180 -1.996 -2.641 470 HD22 LEU 65 1HD2 LEU 65 -8.524 -1.457 -1.095 471 HD23 LEU 65 2HD2 LEU 65 -7.486 -1.532 -2.520 472 H ASP 66 H ASP 66 -12.056 -0.293 0.430 473 HA ASP 66 HA ASP 66 -14.682 0.799 -0.299 474 HB2 ASP 66 2HB ASP 66 -13.626 -0.889 1.859 475 HB3 ASP 66 1HB ASP 66 -14.659 0.398 2.481 476 HA PRO 67 HA PRO 67 -13.903 4.894 0.977 477 HB2 PRO 67 2HB PRO 67 -16.135 5.449 2.557 478 HB3 PRO 67 1HB PRO 67 -16.133 5.444 0.782 479 HG2 PRO 67 2HG PRO 67 -17.003 3.302 2.677 480 HG3 PRO 67 1HG PRO 67 -17.758 3.843 1.165 481 HD2 PRO 67 2HD PRO 67 -16.286 1.590 1.261 482 HD3 PRO 67 1HD PRO 67 -16.257 2.649 -0.168 483 H THR 68 H THR 68 -15.624 3.822 3.878 484 HA THR 68 HA THR 68 -13.905 5.115 5.678 485 HB THR 68 HB THR 68 -15.023 3.780 7.414 486 HG1 THR 68 1HG THR 68 -15.395 2.137 5.280 487 HG21 THR 68 3HG2 THR 68 -17.276 4.529 6.982 488 HG22 THR 68 1HG2 THR 68 -16.985 4.558 5.242 489 HG23 THR 68 2HG2 THR 68 -16.174 5.721 6.292 490 H LEU 69 H LEU 69 -13.436 2.298 3.884 491 HA LEU 69 HA LEU 69 -11.743 0.899 5.735 492 HB2 LEU 69 2HB LEU 69 -12.967 -0.239 3.929 493 HB3 LEU 69 1HB LEU 69 -11.982 0.599 2.730 494 HG LEU 69 HG LEU 69 -10.712 -1.033 4.941 495 HD11 LEU 69 1HD1 LEU 69 -12.330 -2.472 3.744 496 HD12 LEU 69 2HD1 LEU 69 -10.658 -2.959 3.459 497 HD13 LEU 69 3HD1 LEU 69 -11.539 -2.062 2.222 498 HD21 LEU 69 3HD2 LEU 69 -8.858 -0.164 3.952 499 HD22 LEU 69 1HD2 LEU 69 -9.754 0.421 2.548 500 HD23 LEU 69 2HD2 LEU 69 -9.183 -1.244 2.603 501 H ILE 70 H ILE 70 -11.237 3.171 3.067 502 HA ILE 70 HA ILE 70 -8.454 2.932 2.839 503 HB ILE 70 HB ILE 70 -10.318 5.264 2.356 504 HG12 ILE 70 2HG1 ILE 70 -8.825 3.639 0.287 505 HG13 ILE 70 1HG1 ILE 70 -10.322 3.023 0.968 506 HG21 ILE 70 1HG2 ILE 70 -8.329 6.090 0.943 507 HG22 ILE 70 2HG2 ILE 70 -7.349 4.963 1.884 508 HG23 ILE 70 3HG2 ILE 70 -8.195 6.281 2.693 509 HD11 ILE 70 3HD1 ILE 70 -10.051 5.769 -0.278 510 HD12 ILE 70 1HD1 ILE 70 -11.544 4.980 0.236 511 HD13 ILE 70 2HD1 ILE 70 -10.643 4.350 -1.144 512 H TRP 71 H TRP 71 -10.445 4.954 4.955 513 HA TRP 71 HA TRP 71 -8.136 6.185 6.194 514 HB2 TRP 71 2HB TRP 71 -11.109 6.285 6.711 515 HB3 TRP 71 1HB TRP 71 -9.956 7.035 7.813 516 HD1 TRP 71 HD TRP 71 -11.854 7.711 4.740 517 HE1 TRP 71 1HE TRP 71 -10.994 9.851 3.587 518 HE3 TRP 71 3HE TRP 71 -7.481 8.391 7.290 519 HZ2 TRP 71 2HZ TRP 71 -8.741 11.616 3.726 520 HZ3 TRP 71 3HZ TRP 71 -6.001 10.307 6.758 521 HH2 TRP 71 HH TRP 71 -6.626 11.918 4.981 522 H ASP 72 H ASP 72 -9.511 3.179 6.396 523 HA ASP 72 HA ASP 72 -9.200 2.806 9.275 524 HB2 ASP 72 2HB ASP 72 -11.005 1.665 7.968 525 HB3 ASP 72 1HB ASP 72 -9.754 0.723 7.150 526 H HIS 73 H HIS 73 -7.549 1.979 6.272 527 HA HIS 73 HA HIS 73 -5.266 0.918 7.862 528 HB2 HIS 73 2HB HIS 73 -5.938 0.267 4.985 529 HB3 HIS 73 1HB HIS 73 -4.716 -0.496 6.010 530 HD1 HIS 73 1HD HIS 73 -6.719 -0.525 8.566 531 HD2 HIS 73 2HD HIS 73 -7.447 -2.138 4.792 532 HE1 HIS 73 1HE HIS 73 -8.502 -2.299 8.872 533 HE2 HIS 73 2HE HIS 73 -8.950 -3.295 6.584 534 HA PRO 74 HA PRO 74 -4.005 4.765 5.445 535 HB2 PRO 74 2HB PRO 74 -3.322 6.331 7.596 536 HB3 PRO 74 1HB PRO 74 -4.958 6.278 6.915 537 HG2 PRO 74 2HG PRO 74 -3.875 4.869 9.315 538 HG3 PRO 74 1HG PRO 74 -5.430 5.695 9.101 539 HD2 PRO 74 2HD PRO 74 -5.193 2.988 8.946 540 HD3 PRO 74 1HD PRO 74 -6.380 3.920 8.002 541 H THR 75 H THR 75 -2.734 2.489 7.540 542 HA THR 75 HA THR 75 0.056 3.456 7.190 543 HB THR 75 HB THR 75 0.473 1.650 9.020 544 HG1 THR 75 1HG THR 75 -1.339 0.631 9.375 545 HG21 THR 75 3HG2 THR 75 0.813 3.896 9.639 546 HG22 THR 75 1HG2 THR 75 -0.396 3.333 10.791 547 HG23 THR 75 2HG2 THR 75 -0.886 4.316 9.411 548 H ILE 76 H ILE 76 1.671 1.824 6.787 549 HA ILE 76 HA ILE 76 0.954 0.136 4.600 550 HB ILE 76 HB ILE 76 3.528 0.093 6.193 551 HG12 ILE 76 2HG1 ILE 76 3.154 2.383 5.519 552 HG13 ILE 76 1HG1 ILE 76 4.311 1.689 4.387 553 HG21 ILE 76 1HG2 ILE 76 4.425 -0.571 3.899 554 HG22 ILE 76 2HG2 ILE 76 2.748 -0.765 3.398 555 HG23 ILE 76 3HG2 ILE 76 3.401 -1.780 4.678 556 HD11 ILE 76 3HD1 ILE 76 2.825 2.798 2.978 557 HD12 ILE 76 1HD1 ILE 76 1.418 2.338 3.940 558 HD13 ILE 76 2HD1 ILE 76 2.232 1.138 2.943 559 H ASP 77 H ASP 77 1.773 -0.455 7.987 560 HA ASP 77 HA ASP 77 1.945 -3.214 7.981 561 HB2 ASP 77 2HB ASP 77 2.409 -1.936 9.984 562 HB3 ASP 77 1HB ASP 77 0.740 -1.376 10.062 563 H ALA 78 H ALA 78 -1.014 -1.225 8.373 564 HA ALA 78 HA ALA 78 -2.764 -3.461 8.504 565 HB1 ALA 78 1HB ALA 78 -3.509 -1.384 9.424 566 HB2 ALA 78 2HB ALA 78 -4.521 -1.701 8.016 567 HB3 ALA 78 3HB ALA 78 -3.206 -0.530 7.911 568 H LEU 79 H LEU 79 -1.907 -1.210 5.884 569 HA LEU 79 HA LEU 79 -3.600 -2.266 3.951 570 HB2 LEU 79 2HB LEU 79 -1.744 -0.233 4.022 571 HB3 LEU 79 1HB LEU 79 -0.940 -1.377 2.967 572 HG LEU 79 HG LEU 79 -2.276 0.062 1.581 573 HD11 LEU 79 1HD1 LEU 79 -4.081 -2.335 1.681 574 HD12 LEU 79 2HD1 LEU 79 -2.379 -2.613 1.360 575 HD13 LEU 79 3HD1 LEU 79 -3.308 -1.567 0.297 576 HD21 LEU 79 3HD2 LEU 79 -3.949 0.321 3.773 577 HD22 LEU 79 1HD2 LEU 79 -4.915 -0.720 2.734 578 HD23 LEU 79 2HD2 LEU 79 -4.369 0.849 2.153 579 H SER 80 H SER 80 -0.248 -3.129 4.703 580 HA SER 80 HA SER 80 0.028 -5.113 2.713 581 HB2 SER 80 2HB SER 80 1.956 -4.140 3.875 582 HB3 SER 80 1HB SER 80 1.421 -4.864 5.389 583 HG SER 80 HG SER 80 1.721 -6.497 3.134 584 H THR 81 H THR 81 -0.928 -5.284 6.125 585 HA THR 81 HA THR 81 -1.173 -8.061 6.356 586 HB THR 81 HB THR 81 -2.793 -5.895 7.711 587 HG1 THR 81 1HG THR 81 -0.283 -6.374 7.842 588 HG21 THR 81 3HG2 THR 81 -3.006 -7.730 9.481 589 HG22 THR 81 1HG2 THR 81 -2.468 -8.853 8.231 590 HG23 THR 81 2HG2 THR 81 -3.966 -7.947 8.017 591 H ALA 82 H ALA 82 -3.506 -5.630 5.244 592 HA ALA 82 HA ALA 82 -5.653 -7.472 4.890 593 HB1 ALA 82 1HB ALA 82 -6.110 -5.101 5.124 594 HB2 ALA 82 2HB ALA 82 -6.652 -5.627 3.530 595 HB3 ALA 82 3HB ALA 82 -5.137 -4.737 3.698 596 H LEU 83 H LEU 83 -3.159 -6.130 2.703 597 HA LEU 83 HA LEU 83 -4.189 -7.210 0.330 598 HB2 LEU 83 2HB LEU 83 -2.171 -5.504 0.880 599 HB3 LEU 83 1HB LEU 83 -1.203 -6.963 0.655 600 HG LEU 83 HG LEU 83 -3.204 -5.827 -1.321 601 HD11 LEU 83 1HD1 LEU 83 -1.011 -5.689 -2.687 602 HD12 LEU 83 2HD1 LEU 83 -0.200 -5.863 -1.135 603 HD13 LEU 83 3HD1 LEU 83 -1.262 -4.492 -1.417 604 HD21 LEU 83 3HD2 LEU 83 -3.286 -8.172 -1.616 605 HD22 LEU 83 1HD2 LEU 83 -1.571 -8.366 -1.242 606 HD23 LEU 83 2HD2 LEU 83 -2.062 -7.654 -2.778 607 H VAL 84 H VAL 84 -1.701 -8.474 2.548 608 HA VAL 84 HA VAL 84 -1.237 -10.866 1.118 609 HB VAL 84 HB VAL 84 0.272 -9.952 2.880 610 HG11 VAL 84 1HG1 VAL 84 -1.518 -9.329 4.447 611 HG12 VAL 84 2HG1 VAL 84 -0.278 -10.297 5.224 612 HG13 VAL 84 3HG1 VAL 84 -1.824 -11.025 4.788 613 HG21 VAL 84 3HG2 VAL 84 0.600 -12.241 2.227 614 HG22 VAL 84 1HG2 VAL 84 -0.766 -12.779 3.201 615 HG23 VAL 84 2HG2 VAL 84 0.693 -12.189 3.988 616 H ALA 85 H ALA 85 -3.631 -9.911 3.508 617 HA ALA 85 HA ALA 85 -4.593 -12.451 4.237 618 HB1 ALA 85 1HB ALA 85 -6.254 -9.947 3.925 619 HB2 ALA 85 2HB ALA 85 -5.207 -10.258 5.308 620 HB3 ALA 85 3HB ALA 85 -6.578 -11.317 4.984 621 H GLU 86 H GLU 86 -5.207 -10.412 1.446 622 HA GLU 86 HA GLU 86 -7.459 -11.653 0.353 623 HB2 GLU 86 2HB GLU 86 -5.046 -10.563 -1.124 624 HB3 GLU 86 1HB GLU 86 -6.616 -10.903 -1.846 625 HG2 GLU 86 2HG GLU 86 -6.181 -8.996 0.452 626 HG3 GLU 86 1HG GLU 86 -6.324 -8.497 -1.227 627 H LEU 87 H LEU 87 -4.371 -12.962 0.887 628 HA LEU 87 HA LEU 87 -4.742 -15.126 -1.092 629 HB2 LEU 87 2HB LEU 87 -2.344 -14.282 0.544 630 HB3 LEU 87 1HB LEU 87 -2.382 -15.703 -0.495 631 HG LEU 87 HG LEU 87 -3.055 -12.931 -1.499 632 HD11 LEU 87 1HD1 LEU 87 -0.774 -12.790 -2.349 633 HD12 LEU 87 2HD1 LEU 87 -0.398 -14.378 -1.677 634 HD13 LEU 87 3HD1 LEU 87 -0.732 -13.022 -0.599 635 HD21 LEU 87 3HD2 LEU 87 -3.857 -14.440 -3.089 636 HD22 LEU 87 1HD2 LEU 87 -2.619 -15.645 -2.745 637 HD23 LEU 87 2HD2 LEU 87 -2.215 -14.202 -3.671 638 H ARG 88 H ARG 88 -5.082 -14.424 2.223 639 HA ARG 88 HA ARG 88 -4.681 -17.150 3.142 640 HB2 ARG 88 2HB ARG 88 -5.785 -14.703 4.542 641 HB3 ARG 88 1HB ARG 88 -5.422 -16.242 5.322 642 HG2 ARG 88 2HG ARG 88 -3.265 -14.892 3.705 643 HG3 ARG 88 1HG ARG 88 -3.620 -14.291 5.322 644 HD2 ARG 88 2HD ARG 88 -3.008 -17.194 4.703 645 HD3 ARG 88 1HD ARG 88 -1.813 -16.035 5.272 646 HE ARG 88 HE ARG 88 -3.950 -17.239 6.838 647 HH11 ARG 88 1HH2 ARG 88 -1.637 -14.693 6.487 648 HH12 ARG 88 2HH2 ARG 88 -1.575 -14.327 8.179 649 HH21 ARG 88 1HH1 ARG 88 -3.877 -16.767 9.060 650 HH22 ARG 88 2HH1 ARG 88 -2.843 -15.503 9.637 651 H SER 89 H SER 89 -7.112 -15.571 1.510 652 HA SER 89 HA SER 89 -9.279 -17.117 2.789 653 HB2 SER 89 2HB SER 89 -9.605 -14.676 2.387 654 HB3 SER 89 1HB SER 89 -9.449 -14.976 0.658 655 HG SER 89 HG SER 89 -11.616 -15.151 2.089 656 H ALA 90 H ALA 90 -7.492 -18.705 1.457 657 HA ALA 90 HA ALA 90 -7.278 -20.247 -0.241 658 HB1 ALA 90 1HB ALA 90 -9.390 -21.000 0.786 659 HB2 ALA 90 2HB ALA 90 -9.384 -21.284 -0.955 660 HB3 ALA 90 3HB ALA 90 -10.288 -19.925 -0.287 Start of MODEL 22 1 H1 GLY 1 1HT GLY 1 -7.009 -19.825 -14.006 2 H2 GLY 1 2HT GLY 1 -5.947 -20.454 -15.172 3 H3 GLY 1 3HT GLY 1 -7.497 -21.122 -14.982 4 HA2 GLY 1 2HA GLY 1 -7.394 -19.714 -16.950 5 HA3 GLY 1 1HA GLY 1 -8.516 -19.076 -15.746 6 H HIS 2 H HIS 2 -7.174 -17.541 -17.784 7 HA HIS 2 HA HIS 2 -5.207 -15.940 -16.266 8 HB2 HIS 2 2HB HIS 2 -5.950 -15.736 -19.191 9 HB3 HIS 2 1HB HIS 2 -4.563 -15.002 -18.385 10 HD1 HIS 2 1HD HIS 2 -5.893 -18.332 -19.546 11 HD2 HIS 2 2HD HIS 2 -2.388 -16.758 -17.927 12 HE1 HIS 2 1HE HIS 2 -4.138 -20.148 -19.735 13 HE2 HIS 2 2HE HIS 2 -1.996 -19.205 -18.754 14 H MET 3 H MET 3 -6.054 -14.314 -15.142 15 HA MET 3 HA MET 3 -7.666 -12.317 -16.415 16 HB2 MET 3 2HB MET 3 -9.333 -14.159 -15.831 17 HB3 MET 3 1HB MET 3 -9.004 -13.782 -14.138 18 HG2 MET 3 2HG MET 3 -10.907 -12.464 -14.728 19 HG3 MET 3 1HG MET 3 -9.540 -11.351 -14.724 20 HE1 MET 3 3HE MET 3 -11.236 -9.699 -17.626 21 HE2 MET 3 1HE MET 3 -10.359 -9.564 -16.095 22 HE3 MET 3 2HE MET 3 -11.968 -10.282 -16.133 23 H SER 4 H SER 4 -6.435 -13.724 -13.413 24 HA SER 4 HA SER 4 -5.333 -11.179 -12.612 25 HB2 SER 4 2HB SER 4 -7.627 -10.897 -11.807 26 HB3 SER 4 1HB SER 4 -7.539 -12.440 -10.962 27 HG SER 4 HG SER 4 -5.689 -11.491 -9.837 28 H ASP 5 H ASP 5 -3.340 -11.813 -12.041 29 HA ASP 5 HA ASP 5 -2.966 -13.731 -9.929 30 HB2 ASP 5 2HB ASP 5 -1.519 -15.214 -11.223 31 HB3 ASP 5 1HB ASP 5 -3.164 -15.227 -11.848 32 H LEU 6 H LEU 6 -2.050 -11.874 -8.963 33 HA LEU 6 HA LEU 6 -0.067 -10.237 -9.984 34 HB2 LEU 6 2HB LEU 6 -1.200 -9.956 -7.754 35 HB3 LEU 6 1HB LEU 6 -0.172 -11.247 -7.133 36 HG LEU 6 HG LEU 6 1.811 -9.814 -8.001 37 HD11 LEU 6 1HD1 LEU 6 -0.464 -7.829 -8.099 38 HD12 LEU 6 2HD1 LEU 6 0.754 -8.165 -9.329 39 HD13 LEU 6 3HD1 LEU 6 1.206 -7.318 -7.850 40 HD21 LEU 6 3HD2 LEU 6 1.762 -8.447 -5.900 41 HD22 LEU 6 1HD2 LEU 6 1.381 -10.147 -5.645 42 HD23 LEU 6 2HD2 LEU 6 0.087 -8.952 -5.662 43 H SER 7 H SER 7 0.380 -13.278 -8.142 44 HA SER 7 HA SER 7 2.728 -13.931 -9.682 45 HB2 SER 7 2HB SER 7 2.946 -12.917 -6.863 46 HB3 SER 7 1HB SER 7 4.064 -14.154 -7.429 47 HG SER 7 HG SER 7 4.114 -11.545 -7.873 48 H THR 8 H THR 8 3.410 -16.083 -9.346 49 HA THR 8 HA THR 8 1.397 -17.935 -8.901 50 HB THR 8 HB THR 8 4.373 -18.214 -8.614 51 HG1 THR 8 1HG THR 8 4.368 -18.585 -10.730 52 HG21 THR 8 3HG2 THR 8 3.663 -20.673 -9.344 53 HG22 THR 8 1HG2 THR 8 2.146 -20.230 -8.562 54 HG23 THR 8 2HG2 THR 8 3.654 -20.206 -7.646 55 H ALA 9 H ALA 9 2.705 -15.936 -6.642 56 HA ALA 9 HA ALA 9 1.496 -16.791 -4.404 57 HB1 ALA 9 1HB ALA 9 2.283 -18.922 -4.214 58 HB2 ALA 9 2HB ALA 9 3.538 -18.088 -3.300 59 HB3 ALA 9 3HB ALA 9 3.819 -18.528 -4.987 60 HA PRO 10 HA PRO 10 4.462 -13.218 -4.008 61 HB2 PRO 10 2HB PRO 10 2.546 -11.447 -3.077 62 HB3 PRO 10 1HB PRO 10 2.929 -11.669 -4.790 63 HG2 PRO 10 2HG PRO 10 0.674 -12.783 -3.197 64 HG3 PRO 10 1HG PRO 10 0.685 -12.201 -4.868 65 HD2 PRO 10 2HD PRO 10 0.719 -14.841 -4.230 66 HD3 PRO 10 1HD PRO 10 1.483 -14.235 -5.714 67 H THR 11 H THR 11 5.487 -12.618 -2.090 68 HA THR 11 HA THR 11 4.412 -13.820 0.394 69 HB THR 11 HB THR 11 7.220 -12.873 -0.198 70 HG1 THR 11 1HG THR 11 7.373 -14.662 -1.258 71 HG21 THR 11 3HG2 THR 11 7.699 -14.375 1.771 72 HG22 THR 11 1HG2 THR 11 5.957 -14.498 2.018 73 HG23 THR 11 2HG2 THR 11 6.759 -12.934 2.163 74 H LEU 12 H LEU 12 4.470 -12.601 2.320 75 HA LEU 12 HA LEU 12 3.425 -10.097 2.362 76 HB2 LEU 12 2HB LEU 12 5.317 -11.388 4.322 77 HB3 LEU 12 1HB LEU 12 4.547 -9.832 4.634 78 HG LEU 12 HG LEU 12 2.325 -10.908 4.238 79 HD11 LEU 12 1HD1 LEU 12 2.442 -13.514 4.511 80 HD12 LEU 12 2HD1 LEU 12 4.095 -13.335 3.925 81 HD13 LEU 12 3HD1 LEU 12 2.744 -12.819 2.921 82 HD21 LEU 12 3HD2 LEU 12 3.013 -10.624 6.519 83 HD22 LEU 12 1HD2 LEU 12 4.125 -11.990 6.422 84 HD23 LEU 12 2HD2 LEU 12 2.383 -12.266 6.391 85 H ASP 13 H ASP 13 6.777 -10.939 1.925 86 HA ASP 13 HA ASP 13 7.822 -8.299 2.275 87 HB2 ASP 13 2HB ASP 13 9.153 -10.419 0.616 88 HB3 ASP 13 1HB ASP 13 9.884 -9.141 1.583 89 H SER 14 H SER 14 6.597 -10.141 -0.516 90 HA SER 14 HA SER 14 7.584 -8.379 -2.499 91 HB2 SER 14 2HB SER 14 5.914 -9.458 -3.931 92 HB3 SER 14 1HB SER 14 6.857 -10.629 -3.019 93 HG SER 14 HG SER 14 4.225 -10.333 -3.065 94 H LEU 15 H LEU 15 4.547 -8.510 -0.666 95 HA LEU 15 HA LEU 15 3.431 -6.341 -2.100 96 HB2 LEU 15 2HB LEU 15 2.598 -7.316 0.621 97 HB3 LEU 15 1HB LEU 15 1.634 -6.412 -0.537 98 HG LEU 15 HG LEU 15 0.863 -8.569 -0.915 99 HD11 LEU 15 1HD1 LEU 15 3.229 -8.652 -2.805 100 HD12 LEU 15 2HD1 LEU 15 1.832 -7.604 -3.055 101 HD13 LEU 15 3HD1 LEU 15 1.627 -9.354 -3.038 102 HD21 LEU 15 3HD2 LEU 15 1.897 -10.171 0.284 103 HD22 LEU 15 1HD2 LEU 15 3.442 -9.336 0.216 104 HD23 LEU 15 2HD2 LEU 15 2.969 -10.405 -1.103 105 H ARG 16 H ARG 16 4.304 -6.592 1.289 106 HA ARG 16 HA ARG 16 4.206 -4.049 2.152 107 HB2 ARG 16 2HB ARG 16 5.080 -5.812 3.551 108 HB3 ARG 16 1HB ARG 16 6.525 -5.933 2.551 109 HG2 ARG 16 2HG ARG 16 5.990 -3.200 3.602 110 HG3 ARG 16 1HG ARG 16 6.367 -4.400 4.834 111 HD2 ARG 16 2HD ARG 16 8.419 -5.014 3.533 112 HD3 ARG 16 1HD ARG 16 8.068 -3.705 2.418 113 HE ARG 16 HE ARG 16 8.779 -2.188 4.026 114 HH11 ARG 16 1HH2 ARG 16 8.287 -5.333 5.375 115 HH12 ARG 16 2HH2 ARG 16 9.015 -4.943 6.898 116 HH21 ARG 16 1HH1 ARG 16 9.728 -1.667 6.008 117 HH22 ARG 16 2HH1 ARG 16 9.833 -2.862 7.255 118 H VAL 17 H VAL 17 7.033 -5.350 0.335 119 HA VAL 17 HA VAL 17 8.438 -2.916 0.106 120 HB VAL 17 HB VAL 17 9.615 -4.031 -1.774 121 HG11 VAL 17 1HG1 VAL 17 9.037 -5.499 0.793 122 HG12 VAL 17 2HG1 VAL 17 10.547 -4.790 0.233 123 HG13 VAL 17 3HG1 VAL 17 9.993 -6.330 -0.436 124 HG21 VAL 17 3HG2 VAL 17 7.885 -5.095 -2.972 125 HG22 VAL 17 1HG2 VAL 17 7.246 -5.830 -1.516 126 HG23 VAL 17 2HG2 VAL 17 8.732 -6.446 -2.212 127 H TRP 18 H TRP 18 5.920 -4.401 -1.963 128 HA TRP 18 HA TRP 18 6.060 -2.522 -4.061 129 HB2 TRP 18 2HB TRP 18 4.393 -3.821 -4.896 130 HB3 TRP 18 1HB TRP 18 4.443 -4.732 -3.391 131 HD1 TRP 18 HD TRP 18 2.351 -4.547 -1.807 132 HE1 TRP 18 1HE TRP 18 0.214 -3.176 -1.813 133 HE3 TRP 18 3HE TRP 18 3.340 -1.319 -5.665 134 HZ2 TRP 18 2HZ TRP 18 -0.930 -1.057 -3.173 135 HZ3 TRP 18 3HZ TRP 18 1.662 0.387 -6.251 136 HH2 TRP 18 HH TRP 18 -0.472 0.501 -4.992 137 H LEU 19 H LEU 19 3.981 -2.543 -1.173 138 HA LEU 19 HA LEU 19 2.571 -0.184 -1.648 139 HB2 LEU 19 2HB LEU 19 3.142 -1.936 0.618 140 HB3 LEU 19 1HB LEU 19 2.907 -0.268 1.108 141 HG LEU 19 HG LEU 19 0.917 -1.369 -0.836 142 HD11 LEU 19 1HD1 LEU 19 1.131 -3.240 0.667 143 HD12 LEU 19 2HD1 LEU 19 -0.383 -2.400 0.968 144 HD13 LEU 19 3HD1 LEU 19 0.978 -2.182 2.068 145 HD21 LEU 19 3HD2 LEU 19 0.424 0.183 1.707 146 HD22 LEU 19 1HD2 LEU 19 -0.551 0.129 0.234 147 HD23 LEU 19 2HD2 LEU 19 0.989 0.976 0.238 148 H VAL 20 H VAL 20 5.346 -0.467 0.624 149 HA VAL 20 HA VAL 20 5.662 2.261 0.972 150 HB VAL 20 HB VAL 20 6.753 0.504 2.331 151 HG11 VAL 20 1HG1 VAL 20 8.559 -0.791 1.530 152 HG12 VAL 20 2HG1 VAL 20 8.788 0.236 0.114 153 HG13 VAL 20 3HG1 VAL 20 7.388 -0.833 0.216 154 HG21 VAL 20 3HG2 VAL 20 8.715 2.407 1.026 155 HG22 VAL 20 1HG2 VAL 20 8.878 1.670 2.620 156 HG23 VAL 20 2HG2 VAL 20 7.591 2.837 2.315 157 H ASP 21 H ASP 21 7.288 0.098 -1.366 158 HA ASP 21 HA ASP 21 8.899 2.024 -2.566 159 HB2 ASP 21 2HB ASP 21 9.121 -0.387 -2.997 160 HB3 ASP 21 1HB ASP 21 7.573 -0.384 -3.839 161 H CYS 22 H CYS 22 5.520 1.264 -3.056 162 HA CYS 22 HA CYS 22 5.112 2.740 -5.436 163 HB2 CYS 22 2HB CYS 22 3.494 1.071 -4.410 164 HB3 CYS 22 1HB CYS 22 3.054 2.335 -3.260 165 HG CYS 22 HG CYS 22 1.609 3.290 -5.013 166 H VAL 23 H VAL 23 4.705 3.607 -2.004 167 HA VAL 23 HA VAL 23 3.817 6.249 -2.470 168 HB VAL 23 HB VAL 23 5.454 5.284 -0.145 169 HG11 VAL 23 1HG1 VAL 23 4.735 7.829 -0.607 170 HG12 VAL 23 2HG1 VAL 23 4.717 7.153 1.010 171 HG13 VAL 23 3HG1 VAL 23 3.220 7.273 0.097 172 HG21 VAL 23 3HG2 VAL 23 2.503 5.009 -0.729 173 HG22 VAL 23 1HG2 VAL 23 3.172 4.868 0.899 174 HG23 VAL 23 2HG2 VAL 23 3.654 3.730 -0.357 175 H ALA 24 H ALA 24 7.120 4.960 -1.800 176 HA ALA 24 HA ALA 24 8.563 7.295 -1.789 177 HB1 ALA 24 1HB ALA 24 9.460 4.975 -1.437 178 HB2 ALA 24 2HB ALA 24 10.468 5.982 -2.479 179 HB3 ALA 24 3HB ALA 24 9.415 4.756 -3.184 180 H GLY 25 H GLY 25 7.772 5.320 -4.642 181 HA2 GLY 25 2HA GLY 25 8.886 7.106 -6.532 182 HA3 GLY 25 1HA GLY 25 7.659 5.893 -6.889 183 H HIS 26 H HIS 26 5.572 6.816 -5.255 184 HA HIS 26 HA HIS 26 4.297 8.677 -6.880 185 HB2 HIS 26 2HB HIS 26 2.970 7.379 -5.385 186 HB3 HIS 26 1HB HIS 26 3.890 7.919 -3.994 187 HD1 HIS 26 1HD HIS 26 2.555 10.207 -6.686 188 HD2 HIS 26 2HD HIS 26 1.891 9.312 -2.670 189 HE1 HIS 26 1HE HIS 26 0.976 11.984 -5.817 190 HE2 HIS 26 2HE HIS 26 0.560 11.457 -3.363 191 H LEU 27 H LEU 27 5.787 9.302 -3.671 192 HA LEU 27 HA LEU 27 5.540 12.164 -4.091 193 HB2 LEU 27 2HB LEU 27 6.486 10.347 -1.909 194 HB3 LEU 27 1HB LEU 27 6.901 12.061 -1.841 195 HG LEU 27 HG LEU 27 4.047 11.195 -2.317 196 HD11 LEU 27 1HD1 LEU 27 5.286 11.656 0.414 197 HD12 LEU 27 2HD1 LEU 27 4.910 10.066 -0.241 198 HD13 LEU 27 3HD1 LEU 27 3.616 11.215 0.060 199 HD21 LEU 27 3HD2 LEU 27 3.646 13.379 -1.083 200 HD22 LEU 27 1HD2 LEU 27 4.449 13.557 -2.640 201 HD23 LEU 27 2HD2 LEU 27 5.386 13.657 -1.150 202 H GLY 28 H GLY 28 8.059 9.715 -4.156 203 HA2 GLY 28 2HA GLY 28 9.953 9.879 -5.598 204 HA3 GLY 28 1HA GLY 28 9.911 11.628 -5.422 205 H LEU 29 H LEU 29 9.315 10.607 -2.369 206 HA LEU 29 HA LEU 29 11.947 11.189 -1.446 207 HB2 LEU 29 2HB LEU 29 9.644 9.949 0.071 208 HB3 LEU 29 1HB LEU 29 11.051 10.735 0.775 209 HG LEU 29 HG LEU 29 9.025 12.060 -1.032 210 HD11 LEU 29 1HD1 LEU 29 8.291 13.241 0.992 211 HD12 LEU 29 2HD1 LEU 29 9.466 12.343 1.954 212 HD13 LEU 29 3HD1 LEU 29 8.114 11.499 1.197 213 HD21 LEU 29 3HD2 LEU 29 10.268 14.141 0.007 214 HD22 LEU 29 1HD2 LEU 29 10.986 13.296 -1.364 215 HD23 LEU 29 2HD2 LEU 29 11.577 12.987 0.270 216 H ASP 30 H ASP 30 12.660 9.518 0.448 217 HA ASP 30 HA ASP 30 13.478 7.129 -1.020 218 HB2 ASP 30 2HB ASP 30 14.723 6.805 1.319 219 HB3 ASP 30 1HB ASP 30 15.328 7.938 0.112 220 H ALA 31 H ALA 31 12.796 5.125 -0.656 221 HA ALA 31 HA ALA 31 10.366 4.612 0.703 222 HB1 ALA 31 1HB ALA 31 10.975 3.212 -1.117 223 HB2 ALA 31 2HB ALA 31 10.942 2.218 0.338 224 HB3 ALA 31 3HB ALA 31 12.488 2.743 -0.334 225 H ALA 32 H ALA 32 13.747 4.331 1.711 226 HA ALA 32 HA ALA 32 13.287 2.736 4.003 227 HB1 ALA 32 1HB ALA 32 15.501 4.713 3.426 228 HB2 ALA 32 2HB ALA 32 15.489 3.018 2.938 229 HB3 ALA 32 3HB ALA 32 15.531 3.442 4.649 230 H THR 33 H THR 33 12.424 5.943 3.326 231 HA THR 33 HA THR 33 11.870 6.395 6.184 232 HB THR 33 HB THR 33 12.544 8.922 5.479 233 HG1 THR 33 1HG THR 33 14.747 8.157 4.404 234 HG21 THR 33 3HG2 THR 33 14.340 6.692 6.496 235 HG22 THR 33 1HG2 THR 33 13.453 7.874 7.457 236 HG23 THR 33 2HG2 THR 33 14.835 8.384 6.489 237 H ILE 34 H ILE 34 10.254 5.586 3.891 238 HA ILE 34 HA ILE 34 8.765 7.855 3.029 239 HB ILE 34 HB ILE 34 8.469 4.915 2.868 240 HG12 ILE 34 2HG1 ILE 34 9.410 6.477 1.138 241 HG13 ILE 34 1HG1 ILE 34 8.156 5.395 0.550 242 HG21 ILE 34 1HG2 ILE 34 6.058 6.708 2.797 243 HG22 ILE 34 2HG2 ILE 34 6.250 5.191 3.668 244 HG23 ILE 34 3HG2 ILE 34 6.126 5.183 1.919 245 HD11 ILE 34 3HD1 ILE 34 7.003 7.898 1.520 246 HD12 ILE 34 1HD1 ILE 34 6.890 7.161 -0.082 247 HD13 ILE 34 2HD1 ILE 34 8.254 8.194 0.321 248 H ALA 35 H ALA 35 7.558 5.284 5.133 249 HA ALA 35 HA ALA 35 6.856 6.753 7.362 250 HB1 ALA 35 1HB ALA 35 4.977 7.059 5.042 251 HB2 ALA 35 2HB ALA 35 5.411 8.237 6.279 252 HB3 ALA 35 3HB ALA 35 4.280 6.942 6.656 253 H THR 36 H THR 36 7.417 3.988 6.115 254 HA THR 36 HA THR 36 5.500 2.137 6.171 255 HB THR 36 HB THR 36 7.072 0.576 7.068 256 HG1 THR 36 1HG THR 36 7.618 2.601 8.673 257 HG21 THR 36 3HG2 THR 36 8.746 2.777 5.848 258 HG22 THR 36 1HG2 THR 36 7.652 1.775 4.895 259 HG23 THR 36 2HG2 THR 36 9.009 1.037 5.746 260 H ASP 37 H ASP 37 6.725 3.781 9.091 261 HA ASP 37 HA ASP 37 4.768 2.356 10.750 262 HB2 ASP 37 2HB ASP 37 7.186 2.710 11.433 263 HB3 ASP 37 1HB ASP 37 6.798 4.422 11.590 264 H LEU 38 H LEU 38 5.257 5.381 9.133 265 HA LEU 38 HA LEU 38 3.303 6.771 10.819 266 HB2 LEU 38 2HB LEU 38 5.217 7.618 8.676 267 HB3 LEU 38 1HB LEU 38 3.872 8.674 9.082 268 HG LEU 38 HG LEU 38 5.631 7.545 11.261 269 HD11 LEU 38 1HD1 LEU 38 6.227 9.885 9.443 270 HD12 LEU 38 2HD1 LEU 38 7.257 8.500 9.808 271 HD13 LEU 38 3HD1 LEU 38 6.949 9.716 11.047 272 HD21 LEU 38 3HD2 LEU 38 3.905 10.008 10.904 273 HD22 LEU 38 1HD2 LEU 38 5.023 9.819 12.253 274 HD23 LEU 38 2HD2 LEU 38 3.684 8.690 12.052 275 HA PRO 39 HA PRO 39 -0.037 6.098 8.022 276 HB2 PRO 39 2HB PRO 39 -1.538 8.355 8.449 277 HB3 PRO 39 1HB PRO 39 -1.430 7.028 9.622 278 HG2 PRO 39 2HG PRO 39 0.015 9.641 9.586 279 HG3 PRO 39 1HG PRO 39 -0.710 8.775 10.954 280 HD2 PRO 39 2HD PRO 39 1.979 8.709 10.438 281 HD3 PRO 39 1HD PRO 39 1.108 7.357 11.193 282 H LEU 40 H LEU 40 -1.369 7.441 6.308 283 HA LEU 40 HA LEU 40 0.498 8.397 4.348 284 HB2 LEU 40 2HB LEU 40 -1.376 8.530 2.866 285 HB3 LEU 40 1HB LEU 40 -1.618 7.091 3.849 286 HG LEU 40 HG LEU 40 -2.896 9.782 4.438 287 HD11 LEU 40 1HD1 LEU 40 -4.900 8.943 3.503 288 HD12 LEU 40 2HD1 LEU 40 -4.228 7.318 3.339 289 HD13 LEU 40 3HD1 LEU 40 -3.637 8.628 2.312 290 HD21 LEU 40 3HD2 LEU 40 -3.027 7.053 5.683 291 HD22 LEU 40 1HD2 LEU 40 -4.375 8.181 5.846 292 HD23 LEU 40 2HD2 LEU 40 -2.783 8.607 6.465 293 H THR 41 H THR 41 -1.625 9.845 6.688 294 HA THR 41 HA THR 41 -2.022 12.368 5.657 295 HB THR 41 HB THR 41 -2.061 13.126 8.062 296 HG1 THR 41 1HG THR 41 -0.874 10.650 8.269 297 HG21 THR 41 3HG2 THR 41 -4.125 12.363 7.167 298 HG22 THR 41 1HG2 THR 41 -3.932 11.475 8.679 299 HG23 THR 41 2HG2 THR 41 -3.585 10.687 7.141 300 H SER 42 H SER 42 0.884 10.987 7.116 301 HA SER 42 HA SER 42 2.374 13.192 7.711 302 HB2 SER 42 2HB SER 42 3.630 10.933 6.176 303 HB3 SER 42 1HB SER 42 4.223 11.763 7.612 304 HG SER 42 HG SER 42 2.650 10.734 8.810 305 H TYR 43 H TYR 43 1.523 11.947 4.537 306 HA TYR 43 HA TYR 43 3.358 13.592 3.067 307 HB2 TYR 43 2HB TYR 43 0.810 12.372 2.017 308 HB3 TYR 43 1HB TYR 43 2.274 12.748 1.126 309 HD1 TYR 43 1HD TYR 43 4.362 11.654 3.013 310 HD2 TYR 43 2HD TYR 43 0.584 10.035 1.744 311 HE1 TYR 43 1HE TYR 43 5.186 9.376 3.463 312 HE2 TYR 43 2HE TYR 43 1.428 7.751 2.195 313 HH TYR 43 HH TYR 43 3.108 6.673 3.559 314 H GLY 44 H GLY 44 0.535 14.262 4.721 315 HA2 GLY 44 2HA GLY 44 -0.746 16.153 4.888 316 HA3 GLY 44 1HA GLY 44 0.538 16.980 4.010 317 H LEU 45 H LEU 45 -1.028 14.220 2.616 318 HA LEU 45 HA LEU 45 -1.835 15.704 0.324 319 HB2 LEU 45 2HB LEU 45 -2.516 13.627 -0.566 320 HB3 LEU 45 1HB LEU 45 -1.107 13.269 0.418 321 HG LEU 45 HG LEU 45 -4.012 12.869 1.267 322 HD11 LEU 45 1HD1 LEU 45 -1.924 10.704 1.010 323 HD12 LEU 45 2HD1 LEU 45 -2.835 11.229 -0.408 324 HD13 LEU 45 3HD1 LEU 45 -3.683 10.567 0.989 325 HD21 LEU 45 3HD2 LEU 45 -2.763 13.437 3.233 326 HD22 LEU 45 1HD2 LEU 45 -1.379 12.490 2.706 327 HD23 LEU 45 2HD2 LEU 45 -2.855 11.682 3.222 328 H ASP 46 H ASP 46 -3.796 16.493 -0.257 329 HA ASP 46 HA ASP 46 -5.743 17.044 1.704 330 HB2 ASP 46 2HB ASP 46 -5.856 17.080 -1.309 331 HB3 ASP 46 1HB ASP 46 -7.188 17.625 -0.290 332 H SER 47 H SER 47 -8.125 16.410 1.384 333 HA SER 47 HA SER 47 -8.374 13.603 1.767 334 HB2 SER 47 2HB SER 47 -10.802 14.072 1.861 335 HB3 SER 47 1HB SER 47 -9.879 15.184 2.867 336 HG SER 47 HG SER 47 -10.619 15.733 0.184 337 H VAL 48 H VAL 48 -8.888 15.744 -0.963 338 HA VAL 48 HA VAL 48 -10.259 13.868 -2.612 339 HB VAL 48 HB VAL 48 -8.623 16.300 -3.386 340 HG11 VAL 48 1HG1 VAL 48 -8.903 14.953 -5.337 341 HG12 VAL 48 2HG1 VAL 48 -10.181 16.164 -5.418 342 HG13 VAL 48 3HG1 VAL 48 -10.555 14.523 -4.892 343 HG21 VAL 48 3HG2 VAL 48 -10.971 17.286 -3.595 344 HG22 VAL 48 1HG2 VAL 48 -10.415 16.987 -1.948 345 HG23 VAL 48 2HG2 VAL 48 -11.545 15.871 -2.713 346 H TYR 49 H TYR 49 -6.955 14.368 -1.775 347 HA TYR 49 HA TYR 49 -5.723 13.205 -4.037 348 HB2 TYR 49 2HB TYR 49 -4.874 14.319 -1.605 349 HB3 TYR 49 1HB TYR 49 -4.303 12.653 -1.538 350 HD1 TYR 49 1HD TYR 49 -4.587 15.415 -4.054 351 HD2 TYR 49 2HD TYR 49 -2.174 12.267 -2.420 352 HE1 TYR 49 1HE TYR 49 -2.764 16.001 -5.624 353 HE2 TYR 49 2HE TYR 49 -0.350 12.853 -3.973 354 HH TYR 49 HH TYR 49 -0.224 14.006 -6.310 355 H ALA 50 H ALA 50 -6.629 11.778 -0.902 356 HA ALA 50 HA ALA 50 -5.746 9.210 -1.207 357 HB1 ALA 50 1HB ALA 50 -8.464 9.951 -0.097 358 HB2 ALA 50 2HB ALA 50 -6.951 10.112 0.793 359 HB3 ALA 50 3HB ALA 50 -7.518 8.517 0.297 360 H LEU 51 H LEU 51 -8.577 10.700 -2.661 361 HA LEU 51 HA LEU 51 -9.708 8.339 -3.735 362 HB2 LEU 51 2HB LEU 51 -10.993 10.377 -3.592 363 HB3 LEU 51 1HB LEU 51 -9.867 11.205 -4.661 364 HG LEU 51 HG LEU 51 -10.981 8.700 -5.803 365 HD11 LEU 51 1HD1 LEU 51 -12.970 9.495 -4.611 366 HD12 LEU 51 2HD1 LEU 51 -13.166 9.726 -6.349 367 HD13 LEU 51 3HD1 LEU 51 -12.769 11.099 -5.314 368 HD21 LEU 51 3HD2 LEU 51 -11.046 11.502 -6.952 369 HD22 LEU 51 1HD2 LEU 51 -10.983 9.966 -7.819 370 HD23 LEU 51 2HD2 LEU 51 -9.563 10.549 -6.945 371 H SER 52 H SER 52 -7.465 10.737 -5.149 372 HA SER 52 HA SER 52 -7.266 9.440 -7.670 373 HB2 SER 52 2HB SER 52 -6.732 11.834 -7.225 374 HB3 SER 52 1HB SER 52 -5.293 11.308 -6.342 375 HG SER 52 HG SER 52 -5.480 11.725 -8.905 376 H ILE 53 H ILE 53 -5.064 9.568 -4.865 377 HA ILE 53 HA ILE 53 -3.121 7.838 -5.928 378 HB ILE 53 HB ILE 53 -3.855 8.181 -3.015 379 HG12 ILE 53 2HG1 ILE 53 -3.592 10.372 -4.065 380 HG13 ILE 53 1HG1 ILE 53 -2.184 10.026 -3.057 381 HG21 ILE 53 1HG2 ILE 53 -2.274 6.376 -3.392 382 HG22 ILE 53 2HG2 ILE 53 -1.409 7.751 -2.710 383 HG23 ILE 53 3HG2 ILE 53 -1.293 7.405 -4.436 384 HD11 ILE 53 3HD1 ILE 53 -2.412 10.085 -6.052 385 HD12 ILE 53 1HD1 ILE 53 -1.164 9.092 -5.302 386 HD13 ILE 53 2HD1 ILE 53 -1.197 10.832 -5.015 387 H ALA 54 H ALA 54 -5.604 7.092 -3.459 388 HA ALA 54 HA ALA 54 -5.245 4.376 -3.310 389 HB1 ALA 54 1HB ALA 54 -6.875 5.722 -1.958 390 HB2 ALA 54 2HB ALA 54 -7.541 4.207 -2.569 391 HB3 ALA 54 3HB ALA 54 -7.950 5.731 -3.356 392 H ALA 55 H ALA 55 -7.012 6.202 -5.784 393 HA ALA 55 HA ALA 55 -8.085 3.944 -7.141 394 HB1 ALA 55 1HB ALA 55 -9.038 6.083 -7.598 395 HB2 ALA 55 2HB ALA 55 -8.240 5.563 -9.083 396 HB3 ALA 55 3HB ALA 55 -7.469 6.759 -8.040 397 H GLU 56 H GLU 56 -5.035 5.699 -7.406 398 HA GLU 56 HA GLU 56 -4.150 4.290 -9.751 399 HB2 GLU 56 2HB GLU 56 -3.316 6.547 -9.059 400 HB3 GLU 56 1HB GLU 56 -2.470 5.775 -7.719 401 HG2 GLU 56 2HG GLU 56 -0.877 6.006 -9.506 402 HG3 GLU 56 1HG GLU 56 -1.313 4.300 -9.439 403 H LEU 57 H LEU 57 -3.279 4.063 -6.301 404 HA LEU 57 HA LEU 57 -1.427 1.944 -6.508 405 HB2 LEU 57 2HB LEU 57 -3.164 3.043 -4.307 406 HB3 LEU 57 1HB LEU 57 -2.254 1.562 -4.034 407 HG LEU 57 HG LEU 57 -0.166 2.687 -4.555 408 HD11 LEU 57 1HD1 LEU 57 -0.236 5.199 -4.931 409 HD12 LEU 57 2HD1 LEU 57 -1.954 5.001 -5.260 410 HD13 LEU 57 3HD1 LEU 57 -0.766 4.194 -6.279 411 HD21 LEU 57 3HD2 LEU 57 -0.829 2.889 -2.264 412 HD22 LEU 57 1HD2 LEU 57 -1.945 4.201 -2.638 413 HD23 LEU 57 2HD2 LEU 57 -0.204 4.463 -2.757 414 H GLU 58 H GLU 58 -4.905 1.908 -5.799 415 HA GLU 58 HA GLU 58 -5.058 -0.928 -5.620 416 HB2 GLU 58 2HB GLU 58 -7.416 -0.651 -5.606 417 HB3 GLU 58 1HB GLU 58 -6.722 0.668 -4.693 418 HG2 GLU 58 2HG GLU 58 -8.166 1.902 -6.014 419 HG3 GLU 58 1HG GLU 58 -6.787 1.871 -7.089 420 H ASP 59 H ASP 59 -5.540 1.353 -8.286 421 HA ASP 59 HA ASP 59 -6.628 -0.411 -10.172 422 HB2 ASP 59 2HB ASP 59 -6.634 1.919 -10.666 423 HB3 ASP 59 1HB ASP 59 -4.885 2.039 -10.484 424 H HIS 60 H HIS 60 -3.386 0.007 -9.011 425 HA HIS 60 HA HIS 60 -2.123 -1.450 -11.146 426 HB2 HIS 60 2HB HIS 60 -1.236 -0.537 -8.416 427 HB3 HIS 60 1HB HIS 60 -0.218 -1.609 -9.378 428 HD1 HIS 60 1HD HIS 60 -0.417 -0.546 -12.138 429 HD2 HIS 60 2HD HIS 60 -0.332 2.001 -8.841 430 HE1 HIS 60 1HE HIS 60 0.351 1.710 -12.995 431 HE2 HIS 60 2HE HIS 60 0.408 3.275 -10.995 432 H LEU 61 H LEU 61 -3.474 -2.322 -8.019 433 HA LEU 61 HA LEU 61 -2.691 -5.136 -8.422 434 HB2 LEU 61 2HB LEU 61 -3.724 -3.711 -5.941 435 HB3 LEU 61 1HB LEU 61 -3.242 -5.399 -6.019 436 HG LEU 61 HG LEU 61 -1.364 -4.320 -5.114 437 HD11 LEU 61 1HD1 LEU 61 -0.872 -5.690 -7.208 438 HD12 LEU 61 2HD1 LEU 61 0.379 -4.568 -6.675 439 HD13 LEU 61 3HD1 LEU 61 -0.661 -4.139 -8.035 440 HD21 LEU 61 3HD2 LEU 61 -0.419 -2.234 -6.102 441 HD22 LEU 61 1HD2 LEU 61 -2.032 -2.035 -5.405 442 HD23 LEU 61 2HD2 LEU 61 -1.822 -2.153 -7.143 443 H ASP 62 H ASP 62 -4.978 -3.508 -9.657 444 HA ASP 62 HA ASP 62 -7.229 -3.793 -10.072 445 HB2 ASP 62 2HB ASP 62 -6.094 -6.576 -9.965 446 HB3 ASP 62 1HB ASP 62 -7.709 -6.201 -10.559 447 H VAL 63 H VAL 63 -7.470 -3.067 -7.670 448 HA VAL 63 HA VAL 63 -9.279 -4.991 -6.381 449 HB VAL 63 HB VAL 63 -8.109 -4.262 -4.138 450 HG11 VAL 63 1HG1 VAL 63 -8.129 -6.548 -4.877 451 HG12 VAL 63 2HG1 VAL 63 -6.483 -6.136 -4.397 452 HG13 VAL 63 3HG1 VAL 63 -6.911 -6.210 -6.107 453 HG21 VAL 63 3HG2 VAL 63 -6.553 -2.632 -5.004 454 HG22 VAL 63 1HG2 VAL 63 -5.959 -3.757 -6.220 455 HG23 VAL 63 2HG2 VAL 63 -5.608 -4.033 -4.519 456 H SER 64 H SER 64 -10.763 -4.000 -4.910 457 HA SER 64 HA SER 64 -10.992 -1.063 -5.269 458 HB2 SER 64 2HB SER 64 -12.844 -2.273 -6.283 459 HB3 SER 64 1HB SER 64 -13.112 -3.170 -4.790 460 HG SER 64 HG SER 64 -14.328 -1.554 -4.242 461 H LEU 65 H LEU 65 -10.906 0.164 -3.509 462 HA LEU 65 HA LEU 65 -10.814 -1.158 -0.863 463 HB2 LEU 65 2HB LEU 65 -9.963 1.688 -1.122 464 HB3 LEU 65 1HB LEU 65 -9.232 0.370 -0.205 465 HG LEU 65 HG LEU 65 -8.588 -0.601 -2.516 466 HD11 LEU 65 1HD1 LEU 65 -10.049 1.667 -3.409 467 HD12 LEU 65 2HD1 LEU 65 -9.080 0.569 -4.386 468 HD13 LEU 65 3HD1 LEU 65 -8.357 2.040 -3.733 469 HD21 LEU 65 3HD2 LEU 65 -7.211 2.002 -1.822 470 HD22 LEU 65 1HD2 LEU 65 -6.487 0.517 -2.434 471 HD23 LEU 65 2HD2 LEU 65 -7.082 0.587 -0.779 472 H ASP 66 H ASP 66 -11.771 -0.037 0.931 473 HA ASP 66 HA ASP 66 -14.313 1.201 0.151 474 HB2 ASP 66 2HB ASP 66 -13.408 -0.573 2.299 475 HB3 ASP 66 1HB ASP 66 -14.263 0.822 2.944 476 HA PRO 67 HA PRO 67 -13.271 5.266 1.423 477 HB2 PRO 67 2HB PRO 67 -15.529 6.023 2.856 478 HB3 PRO 67 1HB PRO 67 -15.449 5.958 1.086 479 HG2 PRO 67 2HG PRO 67 -16.564 3.957 3.004 480 HG3 PRO 67 1HG PRO 67 -17.207 4.499 1.441 481 HD2 PRO 67 2HD PRO 67 -15.899 2.143 1.688 482 HD3 PRO 67 1HD PRO 67 -15.757 3.137 0.220 483 H THR 68 H THR 68 -15.223 4.359 4.235 484 HA THR 68 HA THR 68 -13.475 5.518 6.106 485 HB THR 68 HB THR 68 -15.865 5.049 6.558 486 HG1 THR 68 1HG THR 68 -14.699 3.499 8.487 487 HG21 THR 68 3HG2 THR 68 -15.014 2.162 6.857 488 HG22 THR 68 1HG2 THR 68 -15.815 2.789 5.416 489 HG23 THR 68 2HG2 THR 68 -16.647 2.819 6.971 490 H LEU 69 H LEU 69 -13.323 2.575 4.409 491 HA LEU 69 HA LEU 69 -11.867 1.084 6.368 492 HB2 LEU 69 2HB LEU 69 -13.008 -0.036 4.537 493 HB3 LEU 69 1HB LEU 69 -11.987 0.792 3.366 494 HG LEU 69 HG LEU 69 -11.381 -1.611 3.892 495 HD11 LEU 69 1HD1 LEU 69 -9.262 -1.204 3.268 496 HD12 LEU 69 2HD1 LEU 69 -8.938 -0.118 4.633 497 HD13 LEU 69 3HD1 LEU 69 -9.782 0.479 3.197 498 HD21 LEU 69 3HD2 LEU 69 -10.207 -0.545 6.438 499 HD22 LEU 69 1HD2 LEU 69 -10.508 -2.221 5.957 500 HD23 LEU 69 2HD2 LEU 69 -11.863 -1.173 6.375 501 H ILE 70 H ILE 70 -10.887 3.097 3.607 502 HA ILE 70 HA ILE 70 -8.139 2.612 3.784 503 HB ILE 70 HB ILE 70 -9.694 5.022 2.831 504 HG12 ILE 70 2HG1 ILE 70 -8.127 3.030 1.185 505 HG13 ILE 70 1HG1 ILE 70 -9.792 2.711 1.647 506 HG21 ILE 70 1HG2 ILE 70 -6.728 4.449 2.781 507 HG22 ILE 70 2HG2 ILE 70 -7.549 5.900 3.357 508 HG23 ILE 70 3HG2 ILE 70 -7.488 5.546 1.628 509 HD11 ILE 70 3HD1 ILE 70 -9.387 3.879 -0.630 510 HD12 ILE 70 1HD1 ILE 70 -9.004 5.310 0.324 511 HD13 ILE 70 2HD1 ILE 70 -10.606 4.580 0.432 512 H TRP 71 H TRP 71 -10.176 5.012 5.387 513 HA TRP 71 HA TRP 71 -8.052 6.346 6.715 514 HB2 TRP 71 2HB TRP 71 -11.032 6.184 7.175 515 HB3 TRP 71 1HB TRP 71 -9.982 7.081 8.273 516 HD1 TRP 71 HD TRP 71 -11.963 7.569 5.263 517 HE1 TRP 71 1HE TRP 71 -11.237 9.695 3.994 518 HE3 TRP 71 3HE TRP 71 -7.503 8.495 7.571 519 HZ2 TRP 71 2HZ TRP 71 -9.039 11.542 3.958 520 HZ3 TRP 71 3HZ TRP 71 -6.118 10.437 6.903 521 HH2 TRP 71 HH TRP 71 -6.881 11.961 5.103 522 H ASP 72 H ASP 72 -9.158 3.228 7.058 523 HA ASP 72 HA ASP 72 -8.630 3.086 9.954 524 HB2 ASP 72 2HB ASP 72 -10.639 1.941 8.866 525 HB3 ASP 72 1HB ASP 72 -9.481 0.808 8.170 526 H HIS 73 H HIS 73 -7.318 2.203 6.856 527 HA HIS 73 HA HIS 73 -4.972 0.954 8.178 528 HB2 HIS 73 2HB HIS 73 -5.830 0.514 5.308 529 HB3 HIS 73 1HB HIS 73 -4.677 -0.431 6.259 530 HD1 HIS 73 1HD HIS 73 -6.874 -0.136 8.788 531 HD2 HIS 73 2HD HIS 73 -7.385 -1.926 5.067 532 HE1 HIS 73 1HE HIS 73 -8.783 -1.790 9.026 533 HE2 HIS 73 2HE HIS 73 -9.049 -2.933 6.789 534 HA PRO 74 HA PRO 74 -3.830 4.896 5.796 535 HB2 PRO 74 2HB PRO 74 -2.984 6.386 7.941 536 HB3 PRO 74 1HB PRO 74 -4.663 6.379 7.368 537 HG2 PRO 74 2HG PRO 74 -3.437 4.860 9.633 538 HG3 PRO 74 1HG PRO 74 -4.976 5.741 9.573 539 HD2 PRO 74 2HD PRO 74 -4.876 3.038 9.294 540 HD3 PRO 74 1HD PRO 74 -6.060 4.050 8.428 541 H THR 75 H THR 75 -2.446 2.548 7.713 542 HA THR 75 HA THR 75 0.320 3.507 7.220 543 HB THR 75 HB THR 75 0.933 1.771 8.962 544 HG1 THR 75 1HG THR 75 -0.972 0.579 8.931 545 HG21 THR 75 3HG2 THR 75 -0.049 3.241 10.853 546 HG22 THR 75 1HG2 THR 75 -0.754 4.203 9.555 547 HG23 THR 75 2HG2 THR 75 0.998 4.026 9.670 548 H ILE 76 H ILE 76 1.901 1.794 6.770 549 HA ILE 76 HA ILE 76 1.056 0.231 4.525 550 HB ILE 76 HB ILE 76 3.691 0.106 5.994 551 HG12 ILE 76 2HG1 ILE 76 3.285 2.403 5.357 552 HG13 ILE 76 1HG1 ILE 76 4.434 1.717 4.214 553 HG21 ILE 76 1HG2 ILE 76 2.718 -0.841 3.303 554 HG22 ILE 76 2HG2 ILE 76 3.620 -1.738 4.522 555 HG23 ILE 76 3HG2 ILE 76 4.424 -0.487 3.573 556 HD11 ILE 76 3HD1 ILE 76 1.547 2.421 3.792 557 HD12 ILE 76 1HD1 ILE 76 2.304 1.178 2.796 558 HD13 ILE 76 2HD1 ILE 76 2.954 2.818 2.802 559 H ASP 77 H ASP 77 1.998 -0.518 7.856 560 HA ASP 77 HA ASP 77 2.156 -3.272 7.735 561 HB2 ASP 77 2HB ASP 77 2.655 -1.994 9.757 562 HB3 ASP 77 1HB ASP 77 0.953 -1.574 9.929 563 H ALA 78 H ALA 78 -0.784 -1.328 8.356 564 HA ALA 78 HA ALA 78 -2.526 -3.568 8.428 565 HB1 ALA 78 1HB ALA 78 -3.217 -1.509 9.458 566 HB2 ALA 78 2HB ALA 78 -4.317 -1.823 8.117 567 HB3 ALA 78 3HB ALA 78 -3.037 -0.622 7.945 568 H LEU 79 H LEU 79 -1.755 -1.217 5.878 569 HA LEU 79 HA LEU 79 -3.534 -2.169 3.944 570 HB2 LEU 79 2HB LEU 79 -1.636 -0.180 4.065 571 HB3 LEU 79 1HB LEU 79 -0.929 -1.273 2.895 572 HG LEU 79 HG LEU 79 -2.287 0.286 1.691 573 HD11 LEU 79 1HD1 LEU 79 -2.558 -2.386 1.345 574 HD12 LEU 79 2HD1 LEU 79 -3.408 -1.209 0.346 575 HD13 LEU 79 3HD1 LEU 79 -4.232 -1.982 1.704 576 HD21 LEU 79 3HD2 LEU 79 -4.326 1.115 2.406 577 HD22 LEU 79 1HD2 LEU 79 -3.785 0.530 3.976 578 HD23 LEU 79 2HD2 LEU 79 -4.868 -0.455 3.005 579 H SER 80 H SER 80 -0.140 -3.077 4.533 580 HA SER 80 HA SER 80 0.076 -4.936 2.444 581 HB2 SER 80 2HB SER 80 1.482 -4.853 5.119 582 HB3 SER 80 1HB SER 80 1.965 -5.867 3.763 583 HG SER 80 HG SER 80 1.962 -3.764 2.565 584 H THR 81 H THR 81 -0.809 -5.357 5.852 585 HA THR 81 HA THR 81 -1.116 -8.115 5.929 586 HB THR 81 HB THR 81 -2.815 -6.030 7.320 587 HG1 THR 81 1HG THR 81 -0.444 -6.085 7.604 588 HG21 THR 81 3HG2 THR 81 -3.128 -7.897 8.987 589 HG22 THR 81 1HG2 THR 81 -2.396 -8.989 7.813 590 HG23 THR 81 2HG2 THR 81 -3.916 -8.180 7.433 591 H ALA 82 H ALA 82 -3.385 -5.654 4.810 592 HA ALA 82 HA ALA 82 -5.551 -7.442 4.327 593 HB1 ALA 82 1HB ALA 82 -6.442 -5.589 2.928 594 HB2 ALA 82 2HB ALA 82 -4.913 -4.737 3.141 595 HB3 ALA 82 3HB ALA 82 -5.945 -5.059 4.535 596 H LEU 83 H LEU 83 -2.943 -6.163 2.215 597 HA LEU 83 HA LEU 83 -3.930 -7.237 -0.176 598 HB2 LEU 83 2HB LEU 83 -1.906 -5.573 0.428 599 HB3 LEU 83 1HB LEU 83 -0.972 -7.055 0.247 600 HG LEU 83 HG LEU 83 -2.844 -5.849 -1.798 601 HD11 LEU 83 1HD1 LEU 83 0.084 -6.360 -2.207 602 HD12 LEU 83 2HD1 LEU 83 -0.411 -4.931 -1.302 603 HD13 LEU 83 3HD1 LEU 83 -0.952 -5.159 -2.964 604 HD21 LEU 83 3HD2 LEU 83 -3.042 -8.196 -2.080 605 HD22 LEU 83 1HD2 LEU 83 -1.345 -8.471 -1.679 606 HD23 LEU 83 2HD2 LEU 83 -1.780 -7.737 -3.223 607 H VAL 84 H VAL 84 -1.466 -8.548 2.077 608 HA VAL 84 HA VAL 84 -1.040 -10.943 0.687 609 HB VAL 84 HB VAL 84 0.441 -10.145 2.486 610 HG11 VAL 84 1HG1 VAL 84 -0.249 -10.300 4.818 611 HG12 VAL 84 2HG1 VAL 84 -1.841 -10.891 4.329 612 HG13 VAL 84 3HG1 VAL 84 -1.343 -9.251 3.924 613 HG21 VAL 84 3HG2 VAL 84 -0.846 -12.859 2.918 614 HG22 VAL 84 1HG2 VAL 84 0.591 -12.328 3.777 615 HG23 VAL 84 2HG2 VAL 84 0.627 -12.490 2.023 616 H ALA 85 H ALA 85 -3.494 -9.957 3.017 617 HA ALA 85 HA ALA 85 -4.556 -12.455 3.662 618 HB1 ALA 85 1HB ALA 85 -6.268 -10.015 3.199 619 HB2 ALA 85 2HB ALA 85 -5.196 -10.148 4.592 620 HB3 ALA 85 3HB ALA 85 -6.504 -11.311 4.372 621 H GLU 86 H GLU 86 -4.998 -10.419 0.833 622 HA GLU 86 HA GLU 86 -7.174 -11.738 -0.353 623 HB2 GLU 86 2HB GLU 86 -4.788 -10.512 -1.758 624 HB3 GLU 86 1HB GLU 86 -6.355 -10.862 -2.487 625 HG2 GLU 86 2HG GLU 86 -5.935 -9.023 -0.125 626 HG3 GLU 86 1HG GLU 86 -6.127 -8.475 -1.788 627 H LEU 87 H LEU 87 -3.956 -12.815 0.169 628 HA LEU 87 HA LEU 87 -4.198 -14.956 -1.852 629 HB2 LEU 87 2HB LEU 87 -2.037 -13.421 -1.196 630 HB3 LEU 87 1HB LEU 87 -1.752 -14.813 -0.157 631 HG LEU 87 HG LEU 87 -0.641 -15.132 -2.298 632 HD11 LEU 87 1HD1 LEU 87 -1.842 -17.026 -1.047 633 HD12 LEU 87 2HD1 LEU 87 -1.396 -17.330 -2.729 634 HD13 LEU 87 3HD1 LEU 87 -3.063 -16.926 -2.317 635 HD21 LEU 87 3HD2 LEU 87 -1.574 -14.659 -4.332 636 HD22 LEU 87 1HD2 LEU 87 -2.735 -13.717 -3.399 637 HD23 LEU 87 2HD2 LEU 87 -3.130 -15.362 -3.900 638 H ARG 88 H ARG 88 -4.514 -14.381 1.516 639 HA ARG 88 HA ARG 88 -4.061 -17.132 2.297 640 HB2 ARG 88 2HB ARG 88 -5.229 -14.772 3.785 641 HB3 ARG 88 1HB ARG 88 -4.876 -16.343 4.504 642 HG2 ARG 88 2HG ARG 88 -2.500 -16.100 3.839 643 HG3 ARG 88 1HG ARG 88 -2.862 -14.503 3.182 644 HD2 ARG 88 2HD ARG 88 -3.639 -13.774 5.419 645 HD3 ARG 88 1HD ARG 88 -3.222 -15.358 6.067 646 HE ARG 88 HE ARG 88 -1.375 -13.228 5.372 647 HH11 ARG 88 1HH2 ARG 88 -1.866 -16.608 5.928 648 HH12 ARG 88 2HH2 ARG 88 -0.213 -16.922 6.335 649 HH21 ARG 88 1HH1 ARG 88 0.796 -13.632 5.908 650 HH22 ARG 88 2HH1 ARG 88 1.295 -15.237 6.324 651 H SER 89 H SER 89 -6.243 -17.336 4.124 652 HA SER 89 HA SER 89 -8.693 -17.297 2.560 653 HB2 SER 89 2HB SER 89 -9.073 -19.712 2.739 654 HB3 SER 89 1HB SER 89 -7.613 -19.382 1.811 655 HG SER 89 HG SER 89 -7.461 -21.027 3.519 656 H ALA 90 H ALA 90 -9.236 -19.716 4.571 657 HA ALA 90 HA ALA 90 -10.432 -19.876 6.532 658 HB1 ALA 90 1HB ALA 90 -9.345 -18.744 8.482 659 HB2 ALA 90 2HB ALA 90 -8.251 -17.945 7.352 660 HB3 ALA 90 3HB ALA 90 -8.228 -19.702 7.509 Start of MODEL 23 1 H1 GLY 1 1HT GLY 1 -11.185 -13.270 -15.393 2 H2 GLY 1 2HT GLY 1 -10.557 -14.711 -16.038 3 H3 GLY 1 3HT GLY 1 -9.507 -13.502 -15.471 4 HA2 GLY 1 2HA GLY 1 -11.468 -14.750 -13.657 5 HA3 GLY 1 1HA GLY 1 -9.922 -15.532 -13.987 6 H HIS 2 H HIS 2 -8.994 -12.571 -14.462 7 HA HIS 2 HA HIS 2 -7.645 -11.150 -13.241 8 HB2 HIS 2 2HB HIS 2 -10.000 -11.282 -11.343 9 HB3 HIS 2 1HB HIS 2 -8.805 -9.989 -11.446 10 HD1 HIS 2 1HD HIS 2 -8.929 -8.394 -13.497 11 HD2 HIS 2 2HD HIS 2 -11.929 -11.290 -13.439 12 HE1 HIS 2 1HE HIS 2 -10.629 -7.701 -15.242 13 HE2 HIS 2 2HE HIS 2 -12.464 -9.456 -15.218 14 H MET 3 H MET 3 -6.243 -13.120 -12.868 15 HA MET 3 HA MET 3 -6.316 -14.215 -10.154 16 HB2 MET 3 2HB MET 3 -4.438 -14.707 -12.483 17 HB3 MET 3 1HB MET 3 -4.384 -15.555 -10.937 18 HG2 MET 3 2HG MET 3 -6.616 -16.443 -11.277 19 HG3 MET 3 1HG MET 3 -6.813 -15.484 -12.743 20 HE1 MET 3 3HE MET 3 -4.928 -17.997 -10.829 21 HE2 MET 3 1HE MET 3 -3.429 -17.572 -11.666 22 HE3 MET 3 2HE MET 3 -4.203 -19.124 -11.972 23 H SER 4 H SER 4 -5.990 -11.891 -9.386 24 HA SER 4 HA SER 4 -4.630 -10.437 -8.236 25 HB2 SER 4 2HB SER 4 -2.241 -12.140 -8.892 26 HB3 SER 4 1HB SER 4 -2.551 -11.166 -7.459 27 HG SER 4 HG SER 4 -4.514 -12.771 -7.447 28 H ASP 5 H ASP 5 -2.802 -11.722 -11.018 29 HA ASP 5 HA ASP 5 -2.289 -10.585 -12.989 30 HB2 ASP 5 2HB ASP 5 -3.946 -8.773 -12.181 31 HB3 ASP 5 1HB ASP 5 -2.524 -7.955 -11.542 32 H LEU 6 H LEU 6 -1.055 -9.955 -9.817 33 HA LEU 6 HA LEU 6 1.440 -8.825 -10.681 34 HB2 LEU 6 2HB LEU 6 0.269 -8.620 -8.358 35 HB3 LEU 6 1HB LEU 6 0.990 -10.195 -8.029 36 HG LEU 6 HG LEU 6 3.205 -9.000 -8.952 37 HD11 LEU 6 1HD1 LEU 6 1.530 -6.712 -7.874 38 HD12 LEU 6 2HD1 LEU 6 2.067 -6.898 -9.542 39 HD13 LEU 6 3HD1 LEU 6 3.246 -6.621 -8.263 40 HD21 LEU 6 3HD2 LEU 6 3.752 -8.390 -6.615 41 HD22 LEU 6 1HD2 LEU 6 2.943 -9.956 -6.710 42 HD23 LEU 6 2HD2 LEU 6 2.046 -8.531 -6.191 43 H SER 7 H SER 7 2.720 -10.800 -8.565 44 HA SER 7 HA SER 7 3.874 -12.537 -10.526 45 HB2 SER 7 2HB SER 7 5.383 -13.130 -8.842 46 HB3 SER 7 1HB SER 7 4.944 -11.487 -8.384 47 HG SER 7 HG SER 7 4.346 -13.910 -7.188 48 H THR 8 H THR 8 3.979 -14.892 -10.188 49 HA THR 8 HA THR 8 1.325 -15.975 -9.902 50 HB THR 8 HB THR 8 2.588 -18.147 -10.241 51 HG1 THR 8 1HG THR 8 4.656 -17.915 -9.940 52 HG21 THR 8 3HG2 THR 8 2.662 -15.881 -12.226 53 HG22 THR 8 1HG2 THR 8 1.482 -17.185 -12.121 54 HG23 THR 8 2HG2 THR 8 3.123 -17.522 -12.673 55 H ALA 9 H ALA 9 2.585 -14.770 -7.533 56 HA ALA 9 HA ALA 9 1.633 -16.339 -5.501 57 HB1 ALA 9 1HB ALA 9 3.050 -18.147 -5.768 58 HB2 ALA 9 2HB ALA 9 4.010 -17.180 -4.654 59 HB3 ALA 9 3HB ALA 9 4.360 -17.142 -6.387 60 HA PRO 10 HA PRO 10 3.408 -12.075 -4.617 61 HB2 PRO 10 2HB PRO 10 0.715 -11.953 -3.293 62 HB3 PRO 10 1HB PRO 10 1.537 -10.732 -4.287 63 HG2 PRO 10 2HG PRO 10 -0.482 -12.164 -5.272 64 HG3 PRO 10 1HG PRO 10 0.917 -11.749 -6.279 65 HD2 PRO 10 2HD PRO 10 0.234 -14.377 -4.997 66 HD3 PRO 10 1HD PRO 10 0.997 -14.068 -6.579 67 H THR 11 H THR 11 4.635 -11.817 -2.822 68 HA THR 11 HA THR 11 3.947 -13.386 -0.391 69 HB THR 11 HB THR 11 6.678 -12.403 -1.231 70 HG1 THR 11 1HG THR 11 5.638 -15.029 -1.416 71 HG21 THR 11 3HG2 THR 11 5.678 -14.358 0.855 72 HG22 THR 11 1HG2 THR 11 6.461 -12.806 1.150 73 HG23 THR 11 2HG2 THR 11 7.376 -14.135 0.439 74 H LEU 12 H LEU 12 4.337 -12.411 1.627 75 HA LEU 12 HA LEU 12 3.379 -9.868 2.011 76 HB2 LEU 12 2HB LEU 12 5.504 -11.096 3.778 77 HB3 LEU 12 1HB LEU 12 4.229 -9.970 4.240 78 HG LEU 12 HG LEU 12 2.720 -11.995 3.136 79 HD11 LEU 12 1HD1 LEU 12 4.997 -13.274 2.959 80 HD12 LEU 12 2HD1 LEU 12 3.602 -14.129 3.608 81 HD13 LEU 12 3HD1 LEU 12 4.830 -13.491 4.697 82 HD21 LEU 12 3HD2 LEU 12 3.702 -11.664 5.986 83 HD22 LEU 12 1HD2 LEU 12 2.403 -12.770 5.536 84 HD23 LEU 12 2HD2 LEU 12 2.212 -11.035 5.283 85 H ASP 13 H ASP 13 6.749 -10.860 1.566 86 HA ASP 13 HA ASP 13 7.886 -8.306 2.013 87 HB2 ASP 13 2HB ASP 13 9.072 -10.338 0.147 88 HB3 ASP 13 1HB ASP 13 9.894 -9.210 1.212 89 H SER 14 H SER 14 6.694 -9.943 -0.927 90 HA SER 14 HA SER 14 7.607 -7.987 -2.758 91 HB2 SER 14 2HB SER 14 6.080 -9.019 -4.307 92 HB3 SER 14 1HB SER 14 6.987 -10.244 -3.430 93 HG SER 14 HG SER 14 4.307 -9.412 -3.054 94 H LEU 15 H LEU 15 4.559 -8.424 -0.987 95 HA LEU 15 HA LEU 15 3.271 -6.205 -2.211 96 HB2 LEU 15 2HB LEU 15 2.638 -7.455 0.468 97 HB3 LEU 15 1HB LEU 15 1.553 -6.535 -0.546 98 HG LEU 15 HG LEU 15 2.849 -9.104 -1.457 99 HD11 LEU 15 1HD1 LEU 15 0.650 -10.145 -1.004 100 HD12 LEU 15 2HD1 LEU 15 0.141 -8.651 -0.225 101 HD13 LEU 15 3HD1 LEU 15 1.455 -9.594 0.466 102 HD21 LEU 15 3HD2 LEU 15 0.658 -7.322 -2.515 103 HD22 LEU 15 1HD2 LEU 15 0.834 -8.997 -3.033 104 HD23 LEU 15 2HD2 LEU 15 2.130 -7.847 -3.333 105 H ARG 16 H ARG 16 4.226 -6.636 1.176 106 HA ARG 16 HA ARG 16 4.069 -4.162 2.203 107 HB2 ARG 16 2HB ARG 16 5.016 -5.968 3.503 108 HB3 ARG 16 1HB ARG 16 6.435 -6.028 2.458 109 HG2 ARG 16 2HG ARG 16 5.910 -3.336 3.638 110 HG3 ARG 16 1HG ARG 16 6.300 -4.579 4.824 111 HD2 ARG 16 2HD ARG 16 8.336 -5.159 3.484 112 HD3 ARG 16 1HD ARG 16 7.968 -3.831 2.403 113 HE ARG 16 HE ARG 16 8.711 -2.346 4.010 114 HH11 ARG 16 1HH2 ARG 16 8.218 -5.510 5.325 115 HH12 ARG 16 2HH2 ARG 16 8.966 -5.143 6.844 116 HH21 ARG 16 1HH1 ARG 16 9.692 -1.861 5.994 117 HH22 ARG 16 2HH1 ARG 16 9.801 -3.077 7.222 118 H VAL 17 H VAL 17 6.920 -5.244 0.316 119 HA VAL 17 HA VAL 17 8.239 -2.759 0.267 120 HB VAL 17 HB VAL 17 9.524 -3.683 -1.596 121 HG11 VAL 17 1HG1 VAL 17 9.906 -6.089 -0.410 122 HG12 VAL 17 2HG1 VAL 17 8.886 -5.353 0.833 123 HG13 VAL 17 3HG1 VAL 17 10.396 -4.579 0.370 124 HG21 VAL 17 3HG2 VAL 17 8.774 -6.108 -2.249 125 HG22 VAL 17 1HG2 VAL 17 7.962 -4.731 -3.001 126 HG23 VAL 17 2HG2 VAL 17 7.236 -5.551 -1.644 127 H TRP 18 H TRP 18 5.746 -4.157 -1.818 128 HA TRP 18 HA TRP 18 5.880 -2.267 -3.905 129 HB2 TRP 18 2HB TRP 18 4.164 -3.535 -4.723 130 HB3 TRP 18 1HB TRP 18 4.282 -4.473 -3.248 131 HD1 TRP 18 HD TRP 18 2.238 -4.303 -1.587 132 HE1 TRP 18 1HE TRP 18 0.138 -2.950 -1.465 133 HE3 TRP 18 3HE TRP 18 3.103 -1.045 -5.424 134 HZ2 TRP 18 2HZ TRP 18 -1.076 -0.768 -2.811 135 HZ3 TRP 18 3HZ TRP 18 1.435 0.670 -5.960 136 HH2 TRP 18 HH TRP 18 -0.664 0.784 -4.635 137 H LEU 19 H LEU 19 3.858 -2.271 -0.941 138 HA LEU 19 HA LEU 19 2.488 0.094 -1.435 139 HB2 LEU 19 2HB LEU 19 3.145 -1.620 0.884 140 HB3 LEU 19 1HB LEU 19 2.856 0.051 1.303 141 HG LEU 19 HG LEU 19 0.836 -1.058 -0.575 142 HD11 LEU 19 1HD1 LEU 19 1.001 -2.088 2.235 143 HD12 LEU 19 2HD1 LEU 19 1.212 -3.034 0.759 144 HD13 LEU 19 3HD1 LEU 19 -0.343 -2.299 1.119 145 HD21 LEU 19 3HD2 LEU 19 0.312 0.226 2.081 146 HD22 LEU 19 1HD2 LEU 19 -0.603 0.332 0.581 147 HD23 LEU 19 2HD2 LEU 19 0.914 1.202 0.737 148 H VAL 20 H VAL 20 5.371 -0.296 0.685 149 HA VAL 20 HA VAL 20 5.760 2.460 1.029 150 HB VAL 20 HB VAL 20 6.846 0.808 2.447 151 HG11 VAL 20 1HG1 VAL 20 8.405 -0.780 1.671 152 HG12 VAL 20 2HG1 VAL 20 8.676 0.077 0.156 153 HG13 VAL 20 3HG1 VAL 20 7.164 -0.783 0.427 154 HG21 VAL 20 3HG2 VAL 20 7.945 3.063 1.954 155 HG22 VAL 20 1HG2 VAL 20 9.012 2.195 0.851 156 HG23 VAL 20 2HG2 VAL 20 9.018 1.808 2.571 157 H ASP 21 H ASP 21 7.324 0.226 -1.279 158 HA ASP 21 HA ASP 21 8.963 2.107 -2.533 159 HB2 ASP 21 2HB ASP 21 9.140 -0.340 -2.888 160 HB3 ASP 21 1HB ASP 21 7.610 -0.314 -3.766 161 H CYS 22 H CYS 22 5.577 1.322 -3.031 162 HA CYS 22 HA CYS 22 5.177 2.717 -5.459 163 HB2 CYS 22 2HB CYS 22 3.519 1.178 -4.652 164 HB3 CYS 22 1HB CYS 22 3.254 2.131 -3.205 165 HG CYS 22 HG CYS 22 1.450 2.698 -5.103 166 H VAL 23 H VAL 23 4.763 3.731 -2.065 167 HA VAL 23 HA VAL 23 3.897 6.368 -2.607 168 HB VAL 23 HB VAL 23 5.510 5.362 -0.268 169 HG11 VAL 23 1HG1 VAL 23 5.337 7.879 -0.568 170 HG12 VAL 23 2HG1 VAL 23 4.656 7.276 0.926 171 HG13 VAL 23 3HG1 VAL 23 3.599 7.705 -0.415 172 HG21 VAL 23 3HG2 VAL 23 2.511 5.652 -0.544 173 HG22 VAL 23 1HG2 VAL 23 3.391 4.945 0.818 174 HG23 VAL 23 2HG2 VAL 23 3.369 4.131 -0.753 175 H ALA 24 H ALA 24 7.185 5.062 -2.007 176 HA ALA 24 HA ALA 24 8.667 7.397 -2.104 177 HB1 ALA 24 1HB ALA 24 9.274 4.615 -3.085 178 HB2 ALA 24 2HB ALA 24 9.802 5.382 -1.588 179 HB3 ALA 24 3HB ALA 24 10.471 5.908 -3.132 180 H GLY 25 H GLY 25 7.749 5.328 -4.849 181 HA2 GLY 25 2HA GLY 25 8.876 6.991 -6.849 182 HA3 GLY 25 1HA GLY 25 7.603 5.801 -7.110 183 H HIS 26 H HIS 26 5.559 6.797 -5.538 184 HA HIS 26 HA HIS 26 4.341 8.657 -7.206 185 HB2 HIS 26 2HB HIS 26 2.932 7.440 -5.749 186 HB3 HIS 26 1HB HIS 26 3.862 7.878 -4.336 187 HD1 HIS 26 1HD HIS 26 2.513 10.199 -7.019 188 HD2 HIS 26 2HD HIS 26 2.081 9.469 -2.938 189 HE1 HIS 26 1HE HIS 26 1.040 12.051 -6.120 190 HE2 HIS 26 2HE HIS 26 0.765 11.621 -3.630 191 H LEU 27 H LEU 27 5.761 9.285 -3.953 192 HA LEU 27 HA LEU 27 5.570 12.146 -4.392 193 HB2 LEU 27 2HB LEU 27 6.476 10.337 -2.179 194 HB3 LEU 27 1HB LEU 27 6.863 12.061 -2.115 195 HG LEU 27 HG LEU 27 4.022 11.241 -2.701 196 HD11 LEU 27 1HD1 LEU 27 3.668 11.405 -0.163 197 HD12 LEU 27 2HD1 LEU 27 5.401 11.128 -0.016 198 HD13 LEU 27 3HD1 LEU 27 4.371 9.922 -0.777 199 HD21 LEU 27 3HD2 LEU 27 5.292 13.535 -1.163 200 HD22 LEU 27 1HD2 LEU 27 3.568 13.363 -1.499 201 HD23 LEU 27 2HD2 LEU 27 4.708 13.622 -2.824 202 H GLY 28 H GLY 28 8.068 9.679 -4.384 203 HA2 GLY 28 2HA GLY 28 9.991 9.835 -5.774 204 HA3 GLY 28 1HA GLY 28 9.907 11.586 -5.669 205 H LEU 29 H LEU 29 9.299 10.667 -2.617 206 HA LEU 29 HA LEU 29 11.883 11.369 -1.658 207 HB2 LEU 29 2HB LEU 29 9.574 10.115 -0.189 208 HB3 LEU 29 1HB LEU 29 10.950 10.908 0.558 209 HG LEU 29 HG LEU 29 8.987 12.219 -1.322 210 HD11 LEU 29 1HD1 LEU 29 8.393 13.504 0.814 211 HD12 LEU 29 2HD1 LEU 29 9.246 12.227 1.683 212 HD13 LEU 29 3HD1 LEU 29 7.823 11.837 0.718 213 HD21 LEU 29 3HD2 LEU 29 11.486 13.141 0.079 214 HD22 LEU 29 1HD2 LEU 29 10.188 14.301 -0.210 215 HD23 LEU 29 2HD2 LEU 29 10.944 13.474 -1.567 216 H ASP 30 H ASP 30 12.615 9.801 0.310 217 HA ASP 30 HA ASP 30 13.585 7.412 -1.071 218 HB2 ASP 30 2HB ASP 30 15.154 8.792 0.211 219 HB3 ASP 30 1HB ASP 30 14.234 8.482 1.675 220 H ALA 31 H ALA 31 12.790 5.434 -0.802 221 HA ALA 31 HA ALA 31 10.447 4.871 0.600 222 HB1 ALA 31 1HB ALA 31 11.289 2.434 0.363 223 HB2 ALA 31 2HB ALA 31 12.586 3.170 -0.582 224 HB3 ALA 31 3HB ALA 31 10.906 3.363 -1.086 225 H ALA 32 H ALA 32 13.814 4.670 1.616 226 HA ALA 32 HA ALA 32 13.396 3.093 3.908 227 HB1 ALA 32 1HB ALA 32 15.601 3.444 2.876 228 HB2 ALA 32 2HB ALA 32 15.610 3.888 4.583 229 HB3 ALA 32 3HB ALA 32 15.547 5.144 3.344 230 H THR 33 H THR 33 12.666 6.360 3.235 231 HA THR 33 HA THR 33 12.010 6.801 6.091 232 HB THR 33 HB THR 33 12.617 9.255 5.595 233 HG1 THR 33 1HG THR 33 14.267 8.032 3.666 234 HG21 THR 33 3HG2 THR 33 13.922 7.795 7.096 235 HG22 THR 33 1HG2 THR 33 14.991 8.836 6.157 236 HG23 THR 33 2HG2 THR 33 14.793 7.141 5.709 237 H ILE 34 H ILE 34 10.268 5.835 4.077 238 HA ILE 34 HA ILE 34 8.709 8.115 3.177 239 HB ILE 34 HB ILE 34 8.553 5.132 2.929 240 HG12 ILE 34 2HG1 ILE 34 9.557 6.667 1.222 241 HG13 ILE 34 1HG1 ILE 34 8.253 5.670 0.572 242 HG21 ILE 34 1HG2 ILE 34 6.291 5.357 3.587 243 HG22 ILE 34 2HG2 ILE 34 6.220 5.498 1.851 244 HG23 ILE 34 3HG2 ILE 34 6.150 6.946 2.847 245 HD11 ILE 34 3HD1 ILE 34 8.456 8.588 0.939 246 HD12 ILE 34 1HD1 ILE 34 6.894 7.942 1.391 247 HD13 ILE 34 2HD1 ILE 34 7.522 7.678 -0.213 248 H ALA 35 H ALA 35 7.583 5.325 5.036 249 HA ALA 35 HA ALA 35 6.860 6.564 7.370 250 HB1 ALA 35 1HB ALA 35 4.853 6.993 5.166 251 HB2 ALA 35 2HB ALA 35 5.399 8.121 6.410 252 HB3 ALA 35 3HB ALA 35 4.302 6.819 6.834 253 H THR 36 H THR 36 7.424 3.937 5.854 254 HA THR 36 HA THR 36 5.532 2.062 5.820 255 HB THR 36 HB THR 36 7.181 0.460 6.530 256 HG1 THR 36 1HG THR 36 8.078 2.638 8.017 257 HG21 THR 36 3HG2 THR 36 7.629 1.938 4.454 258 HG22 THR 36 1HG2 THR 36 8.984 1.019 5.109 259 HG23 THR 36 2HG2 THR 36 8.837 2.742 5.458 260 H ASP 37 H ASP 37 6.900 3.460 8.838 261 HA ASP 37 HA ASP 37 4.882 1.970 10.393 262 HB2 ASP 37 2HB ASP 37 7.337 1.824 10.983 263 HB3 ASP 37 1HB ASP 37 7.259 3.534 11.406 264 H LEU 38 H LEU 38 4.555 4.510 8.746 265 HA LEU 38 HA LEU 38 3.200 6.020 10.838 266 HB2 LEU 38 2HB LEU 38 5.306 6.999 8.968 267 HB3 LEU 38 1HB LEU 38 3.950 8.087 9.198 268 HG LEU 38 HG LEU 38 4.499 7.412 11.826 269 HD11 LEU 38 1HD1 LEU 38 6.430 6.053 11.139 270 HD12 LEU 38 2HD1 LEU 38 6.917 7.443 12.110 271 HD13 LEU 38 3HD1 LEU 38 7.132 7.470 10.359 272 HD21 LEU 38 3HD2 LEU 38 5.725 9.566 11.905 273 HD22 LEU 38 1HD2 LEU 38 4.197 9.657 11.030 274 HD23 LEU 38 2HD2 LEU 38 5.717 9.595 10.139 275 HA PRO 39 HA PRO 39 -0.215 6.078 8.135 276 HB2 PRO 39 2HB PRO 39 -1.343 8.531 8.716 277 HB3 PRO 39 1HB PRO 39 -1.438 7.127 9.796 278 HG2 PRO 39 2HG PRO 39 0.411 9.472 9.908 279 HG3 PRO 39 1HG PRO 39 -0.432 8.639 11.227 280 HD2 PRO 39 2HD PRO 39 2.187 8.195 10.687 281 HD3 PRO 39 1HD PRO 39 1.123 6.924 11.325 282 H LEU 40 H LEU 40 -1.295 7.451 6.407 283 HA LEU 40 HA LEU 40 0.666 8.365 4.527 284 HB2 LEU 40 2HB LEU 40 -1.180 8.667 3.012 285 HB3 LEU 40 1HB LEU 40 -1.479 7.184 3.912 286 HG LEU 40 HG LEU 40 -2.673 9.875 4.660 287 HD11 LEU 40 1HD1 LEU 40 -4.097 7.556 3.405 288 HD12 LEU 40 2HD1 LEU 40 -3.425 8.876 2.452 289 HD13 LEU 40 3HD1 LEU 40 -4.680 9.201 3.647 290 HD21 LEU 40 3HD2 LEU 40 -4.225 8.209 5.918 291 HD22 LEU 40 1HD2 LEU 40 -2.657 8.601 6.610 292 HD23 LEU 40 2HD2 LEU 40 -2.886 7.082 5.738 293 H THR 41 H THR 41 -1.318 9.859 6.932 294 HA THR 41 HA THR 41 -1.681 12.424 5.985 295 HB THR 41 HB THR 41 -1.501 13.133 8.398 296 HG1 THR 41 1HG THR 41 -1.337 11.132 9.772 297 HG21 THR 41 3HG2 THR 41 -3.113 10.665 7.704 298 HG22 THR 41 1HG2 THR 41 -3.628 12.347 7.564 299 HG23 THR 41 2HG2 THR 41 -3.373 11.632 9.156 300 H SER 42 H SER 42 1.274 10.929 7.269 301 HA SER 42 HA SER 42 2.895 13.054 7.741 302 HB2 SER 42 2HB SER 42 4.741 11.613 7.230 303 HB3 SER 42 1HB SER 42 3.462 10.556 7.820 304 HG SER 42 HG SER 42 3.151 9.807 5.832 305 H TYR 43 H TYR 43 1.760 11.904 4.609 306 HA TYR 43 HA TYR 43 3.539 13.569 3.070 307 HB2 TYR 43 2HB TYR 43 0.952 12.377 2.104 308 HB3 TYR 43 1HB TYR 43 2.400 12.709 1.191 309 HD1 TYR 43 2HD TYR 43 4.494 11.585 3.031 310 HD2 TYR 43 1HD TYR 43 0.658 10.039 1.847 311 HE1 TYR 43 2HE TYR 43 5.281 9.308 3.480 312 HE2 TYR 43 1HE TYR 43 1.478 7.739 2.308 313 HH TYR 43 HH TYR 43 3.206 6.652 3.690 314 H GLY 44 H GLY 44 0.762 14.164 4.845 315 HA2 GLY 44 2HA GLY 44 -0.567 16.021 5.092 316 HA3 GLY 44 1HA GLY 44 0.704 16.903 4.245 317 H LEU 45 H LEU 45 -0.878 14.164 2.761 318 HA LEU 45 HA LEU 45 -1.685 15.735 0.525 319 HB2 LEU 45 2HB LEU 45 -2.370 13.690 -0.430 320 HB3 LEU 45 1HB LEU 45 -0.958 13.284 0.535 321 HG LEU 45 HG LEU 45 -3.857 12.883 1.374 322 HD11 LEU 45 1HD1 LEU 45 -3.606 10.650 0.954 323 HD12 LEU 45 2HD1 LEU 45 -1.849 10.687 1.092 324 HD13 LEU 45 3HD1 LEU 45 -2.633 11.309 -0.356 325 HD21 LEU 45 3HD2 LEU 45 -2.684 11.651 3.285 326 HD22 LEU 45 1HD2 LEU 45 -2.579 13.397 3.357 327 HD23 LEU 45 2HD2 LEU 45 -1.219 12.459 2.782 328 H ASP 46 H ASP 46 -3.689 16.417 -0.078 329 HA ASP 46 HA ASP 46 -5.635 16.880 1.942 330 HB2 ASP 46 2HB ASP 46 -5.277 18.311 -0.083 331 HB3 ASP 46 1HB ASP 46 -6.033 17.043 -1.048 332 H SER 47 H SER 47 -8.028 16.294 1.477 333 HA SER 47 HA SER 47 -8.283 13.471 1.694 334 HB2 SER 47 2HB SER 47 -10.712 13.929 1.722 335 HB3 SER 47 1HB SER 47 -9.830 14.985 2.822 336 HG SER 47 HG SER 47 -11.397 16.041 1.419 337 H VAL 48 H VAL 48 -8.713 15.762 -0.933 338 HA VAL 48 HA VAL 48 -10.021 13.988 -2.731 339 HB VAL 48 HB VAL 48 -8.365 16.467 -3.253 340 HG11 VAL 48 1HG1 VAL 48 -10.103 14.754 -5.043 341 HG12 VAL 48 2HG1 VAL 48 -8.420 15.219 -5.293 342 HG13 VAL 48 3HG1 VAL 48 -9.700 16.426 -5.434 343 HG21 VAL 48 3HG2 VAL 48 -10.516 17.584 -3.402 344 HG22 VAL 48 1HG2 VAL 48 -10.448 16.723 -1.864 345 HG23 VAL 48 2HG2 VAL 48 -11.370 16.052 -3.212 346 H TYR 49 H TYR 49 -6.739 14.408 -1.754 347 HA TYR 49 HA TYR 49 -5.448 13.336 -4.031 348 HB2 TYR 49 2HB TYR 49 -4.682 14.272 -1.464 349 HB3 TYR 49 1HB TYR 49 -4.081 12.625 -1.549 350 HD1 TYR 49 1HD TYR 49 -4.414 15.530 -3.903 351 HD2 TYR 49 2HD TYR 49 -1.883 12.442 -2.321 352 HE1 TYR 49 1HE TYR 49 -2.570 16.284 -5.375 353 HE2 TYR 49 2HE TYR 49 -0.051 13.195 -3.768 354 HH TYR 49 HH TYR 49 -0.425 15.064 -6.401 355 H ALA 50 H ALA 50 -6.521 11.774 -1.020 356 HA ALA 50 HA ALA 50 -5.660 9.192 -1.545 357 HB1 ALA 50 1HB ALA 50 -6.612 9.820 0.612 358 HB2 ALA 50 2HB ALA 50 -7.521 8.465 -0.060 359 HB3 ALA 50 3HB ALA 50 -8.187 10.095 -0.135 360 H LEU 51 H LEU 51 -8.707 10.748 -2.485 361 HA LEU 51 HA LEU 51 -10.042 8.637 -3.615 362 HB2 LEU 51 2HB LEU 51 -10.945 10.916 -3.449 363 HB3 LEU 51 1HB LEU 51 -9.843 11.449 -4.717 364 HG LEU 51 HG LEU 51 -11.414 9.057 -5.514 365 HD11 LEU 51 1HD1 LEU 51 -12.874 11.656 -4.981 366 HD12 LEU 51 2HD1 LEU 51 -13.098 10.152 -4.090 367 HD13 LEU 51 3HD1 LEU 51 -13.542 10.240 -5.797 368 HD21 LEU 51 3HD2 LEU 51 -10.064 10.419 -7.065 369 HD22 LEU 51 1HD2 LEU 51 -11.062 11.827 -6.704 370 HD23 LEU 51 2HD2 LEU 51 -11.765 10.436 -7.534 371 H SER 52 H SER 52 -7.980 10.872 -5.509 372 HA SER 52 HA SER 52 -7.915 9.170 -7.787 373 HB2 SER 52 2HB SER 52 -7.541 11.638 -7.846 374 HB3 SER 52 1HB SER 52 -5.990 11.383 -7.027 375 HG SER 52 HG SER 52 -6.810 10.711 -9.630 376 H ILE 53 H ILE 53 -5.554 9.846 -5.221 377 HA ILE 53 HA ILE 53 -3.528 8.159 -6.208 378 HB ILE 53 HB ILE 53 -4.118 8.922 -3.338 379 HG12 ILE 53 2HG1 ILE 53 -3.764 10.763 -5.234 380 HG13 ILE 53 1HG1 ILE 53 -2.920 10.898 -3.689 381 HG21 ILE 53 1HG2 ILE 53 -2.525 7.178 -3.237 382 HG22 ILE 53 2HG2 ILE 53 -1.535 8.636 -3.242 383 HG23 ILE 53 3HG2 ILE 53 -1.728 7.702 -4.723 384 HD11 ILE 53 3HD1 ILE 53 -1.644 9.431 -5.994 385 HD12 ILE 53 1HD1 ILE 53 -0.879 10.153 -4.586 386 HD13 ILE 53 2HD1 ILE 53 -1.522 11.181 -5.862 387 H ALA 54 H ALA 54 -5.710 7.526 -3.468 388 HA ALA 54 HA ALA 54 -5.075 4.883 -3.039 389 HB1 ALA 54 1HB ALA 54 -7.914 5.899 -2.905 390 HB2 ALA 54 2HB ALA 54 -6.690 6.370 -1.723 391 HB3 ALA 54 3HB ALA 54 -7.144 4.676 -1.897 392 H ALA 55 H ALA 55 -7.108 6.289 -5.540 393 HA ALA 55 HA ALA 55 -8.242 3.819 -6.453 394 HB1 ALA 55 1HB ALA 55 -9.350 5.856 -7.034 395 HB2 ALA 55 2HB ALA 55 -8.731 5.162 -8.532 396 HB3 ALA 55 3HB ALA 55 -7.889 6.512 -7.771 397 H GLU 56 H GLU 56 -5.495 5.778 -7.533 398 HA GLU 56 HA GLU 56 -4.732 4.119 -9.694 399 HB2 GLU 56 2HB GLU 56 -3.159 6.058 -8.000 400 HB3 GLU 56 1HB GLU 56 -2.477 5.233 -9.402 401 HG2 GLU 56 2HG GLU 56 -4.181 6.203 -10.849 402 HG3 GLU 56 1HG GLU 56 -4.973 6.948 -9.465 403 H LEU 57 H LEU 57 -3.659 4.218 -6.307 404 HA LEU 57 HA LEU 57 -1.666 2.230 -6.460 405 HB2 LEU 57 2HB LEU 57 -3.416 3.361 -4.287 406 HB3 LEU 57 1HB LEU 57 -2.539 1.879 -3.927 407 HG LEU 57 HG LEU 57 -0.417 3.025 -4.675 408 HD11 LEU 57 1HD1 LEU 57 -1.468 4.693 -6.135 409 HD12 LEU 57 2HD1 LEU 57 -0.454 5.459 -4.912 410 HD13 LEU 57 3HD1 LEU 57 -2.198 5.441 -4.723 411 HD21 LEU 57 3HD2 LEU 57 -0.121 4.219 -2.637 412 HD22 LEU 57 1HD2 LEU 57 -1.264 2.928 -2.276 413 HD23 LEU 57 2HD2 LEU 57 -1.843 4.577 -2.513 414 H GLU 58 H GLU 58 -4.975 1.794 -5.217 415 HA GLU 58 HA GLU 58 -4.865 -1.014 -5.152 416 HB2 GLU 58 2HB GLU 58 -7.334 -0.942 -5.111 417 HB3 GLU 58 1HB GLU 58 -6.569 0.154 -3.989 418 HG2 GLU 58 2HG GLU 58 -7.968 1.742 -4.917 419 HG3 GLU 58 1HG GLU 58 -6.774 1.783 -6.190 420 H ASP 59 H ASP 59 -5.744 1.196 -7.746 421 HA ASP 59 HA ASP 59 -6.849 -0.708 -9.523 422 HB2 ASP 59 2HB ASP 59 -7.244 1.636 -9.897 423 HB3 ASP 59 1HB ASP 59 -5.515 1.953 -10.039 424 H HIS 60 H HIS 60 -3.606 0.124 -8.698 425 HA HIS 60 HA HIS 60 -2.349 -0.940 -11.040 426 HB2 HIS 60 2HB HIS 60 -1.450 0.016 -8.382 427 HB3 HIS 60 1HB HIS 60 -0.368 -1.134 -9.149 428 HD1 HIS 60 1HD HIS 60 -2.487 1.458 -10.922 429 HD2 HIS 60 2HD HIS 60 1.515 0.694 -10.050 430 HE1 HIS 60 1HE HIS 60 -1.134 3.151 -12.235 431 HE2 HIS 60 2HE HIS 60 1.311 2.696 -11.711 432 H LEU 61 H LEU 61 -3.214 -2.327 -7.929 433 HA LEU 61 HA LEU 61 -2.133 -4.938 -8.731 434 HB2 LEU 61 2HB LEU 61 -3.463 -4.257 -6.107 435 HB3 LEU 61 1HB LEU 61 -2.399 -5.600 -6.453 436 HG LEU 61 HG LEU 61 -1.080 -3.996 -5.278 437 HD11 LEU 61 1HD1 LEU 61 -0.160 -4.968 -7.483 438 HD12 LEU 61 2HD1 LEU 61 0.666 -3.558 -6.815 439 HD13 LEU 61 3HD1 LEU 61 -0.454 -3.367 -8.160 440 HD21 LEU 61 3HD2 LEU 61 -1.423 -1.729 -7.107 441 HD22 LEU 61 1HD2 LEU 61 -1.426 -1.770 -5.368 442 HD23 LEU 61 2HD2 LEU 61 -2.892 -2.126 -6.236 443 H ASP 62 H ASP 62 -4.612 -3.560 -9.869 444 HA ASP 62 HA ASP 62 -6.732 -4.136 -10.467 445 HB2 ASP 62 2HB ASP 62 -5.426 -6.838 -10.151 446 HB3 ASP 62 1HB ASP 62 -7.017 -6.588 -10.851 447 H VAL 63 H VAL 63 -7.000 -3.303 -8.045 448 HA VAL 63 HA VAL 63 -8.916 -5.148 -6.818 449 HB VAL 63 HB VAL 63 -7.814 -4.609 -4.530 450 HG11 VAL 63 1HG1 VAL 63 -6.330 -6.526 -4.722 451 HG12 VAL 63 2HG1 VAL 63 -6.339 -6.394 -6.481 452 HG13 VAL 63 3HG1 VAL 63 -7.814 -6.836 -5.618 453 HG21 VAL 63 3HG2 VAL 63 -5.331 -4.295 -4.733 454 HG22 VAL 63 1HG2 VAL 63 -6.252 -2.906 -5.297 455 HG23 VAL 63 2HG2 VAL 63 -5.557 -4.026 -6.461 456 H SER 64 H SER 64 -10.293 -4.108 -5.248 457 HA SER 64 HA SER 64 -10.334 -1.144 -5.489 458 HB2 SER 64 2HB SER 64 -12.774 -1.285 -5.358 459 HB3 SER 64 1HB SER 64 -12.167 -2.169 -6.756 460 HG SER 64 HG SER 64 -13.075 -3.168 -4.267 461 H LEU 65 H LEU 65 -10.794 0.003 -3.667 462 HA LEU 65 HA LEU 65 -10.903 -1.517 -1.108 463 HB2 LEU 65 2HB LEU 65 -9.826 0.992 -0.473 464 HB3 LEU 65 1HB LEU 65 -8.897 -0.493 -0.671 465 HG LEU 65 HG LEU 65 -8.676 0.030 -3.103 466 HD11 LEU 65 1HD1 LEU 65 -10.656 2.056 -2.415 467 HD12 LEU 65 2HD1 LEU 65 -10.072 1.568 -4.000 468 HD13 LEU 65 3HD1 LEU 65 -9.229 2.825 -3.111 469 HD21 LEU 65 3HD2 LEU 65 -7.149 2.033 -2.730 470 HD22 LEU 65 1HD2 LEU 65 -6.837 0.621 -1.714 471 HD23 LEU 65 2HD2 LEU 65 -7.703 2.012 -1.053 472 H ASP 66 H ASP 66 -11.743 -0.117 0.706 473 HA ASP 66 HA ASP 66 -14.210 1.179 -0.234 474 HB2 ASP 66 2HB ASP 66 -13.456 -0.474 2.059 475 HB3 ASP 66 1HB ASP 66 -14.341 0.959 2.575 476 HA PRO 67 HA PRO 67 -13.006 5.214 0.950 477 HB2 PRO 67 2HB PRO 67 -15.299 6.185 2.157 478 HB3 PRO 67 1HB PRO 67 -15.124 5.970 0.404 479 HG2 PRO 67 2HG PRO 67 -16.464 4.194 2.401 480 HG3 PRO 67 1HG PRO 67 -16.980 4.640 0.764 481 HD2 PRO 67 2HD PRO 67 -15.815 2.250 1.308 482 HD3 PRO 67 1HD PRO 67 -15.591 3.077 -0.248 483 H THR 68 H THR 68 -15.171 4.337 3.638 484 HA THR 68 HA THR 68 -13.630 5.580 5.626 485 HB THR 68 HB THR 68 -15.528 3.257 6.022 486 HG1 THR 68 1HG THR 68 -16.006 6.041 5.791 487 HG21 THR 68 3HG2 THR 68 -15.925 4.499 8.191 488 HG22 THR 68 1HG2 THR 68 -14.538 5.507 7.784 489 HG23 THR 68 2HG2 THR 68 -14.326 3.775 8.032 490 H LEU 69 H LEU 69 -13.231 2.598 4.004 491 HA LEU 69 HA LEU 69 -11.795 1.193 6.048 492 HB2 LEU 69 2HB LEU 69 -12.900 0.054 4.177 493 HB3 LEU 69 1HB LEU 69 -11.775 0.802 3.047 494 HG LEU 69 HG LEU 69 -10.778 -0.812 5.409 495 HD11 LEU 69 1HD1 LEU 69 -12.219 -2.352 4.293 496 HD12 LEU 69 2HD1 LEU 69 -10.578 -2.719 3.758 497 HD13 LEU 69 3HD1 LEU 69 -11.666 -1.814 2.707 498 HD21 LEU 69 3HD2 LEU 69 -9.571 0.495 3.029 499 HD22 LEU 69 1HD2 LEU 69 -9.053 -1.177 3.253 500 HD23 LEU 69 2HD2 LEU 69 -8.831 -0.012 4.545 501 H ILE 70 H ILE 70 -10.844 3.218 3.293 502 HA ILE 70 HA ILE 70 -8.081 2.839 3.417 503 HB ILE 70 HB ILE 70 -9.742 5.217 2.581 504 HG12 ILE 70 2HG1 ILE 70 -8.055 3.423 0.826 505 HG13 ILE 70 1HG1 ILE 70 -9.657 2.907 1.321 506 HG21 ILE 70 1HG2 ILE 70 -7.530 5.875 1.402 507 HG22 ILE 70 2HG2 ILE 70 -6.750 4.803 2.567 508 HG23 ILE 70 3HG2 ILE 70 -7.663 6.203 3.131 509 HD11 ILE 70 3HD1 ILE 70 -9.098 5.574 0.001 510 HD12 ILE 70 1HD1 ILE 70 -10.678 4.851 0.315 511 HD13 ILE 70 2HD1 ILE 70 -9.604 4.133 -0.884 512 H TRP 71 H TRP 71 -10.175 5.044 5.217 513 HA TRP 71 HA TRP 71 -7.993 6.331 6.583 514 HB2 TRP 71 2HB TRP 71 -10.989 6.309 6.985 515 HB3 TRP 71 1HB TRP 71 -9.901 7.172 8.071 516 HD1 TRP 71 HD TRP 71 -11.757 7.592 4.930 517 HE1 TRP 71 1HE TRP 71 -10.974 9.706 3.679 518 HE3 TRP 71 3HE TRP 71 -7.480 8.619 7.524 519 HZ2 TRP 71 2HZ TRP 71 -8.811 11.581 3.762 520 HZ3 TRP 71 3HZ TRP 71 -6.079 10.572 6.920 521 HH2 TRP 71 HH TRP 71 -6.742 12.054 5.046 522 H ASP 72 H ASP 72 -9.310 3.284 6.799 523 HA ASP 72 HA ASP 72 -9.011 3.014 9.713 524 HB2 ASP 72 2HB ASP 72 -10.889 1.918 8.396 525 HB3 ASP 72 1HB ASP 72 -9.666 0.829 7.729 526 H HIS 73 H HIS 73 -7.468 2.048 6.695 527 HA HIS 73 HA HIS 73 -5.204 0.898 8.257 528 HB2 HIS 73 2HB HIS 73 -5.941 0.248 5.403 529 HB3 HIS 73 1HB HIS 73 -4.774 -0.579 6.437 530 HD1 HIS 73 1HD HIS 73 -6.837 -0.385 8.971 531 HD2 HIS 73 2HD HIS 73 -7.555 -2.112 5.247 532 HE1 HIS 73 1HE HIS 73 -8.715 -2.053 9.302 533 HE2 HIS 73 2HE HIS 73 -9.156 -3.121 7.042 534 HA PRO 74 HA PRO 74 -3.837 4.652 5.749 535 HB2 PRO 74 2HB PRO 74 -3.045 6.219 7.869 536 HB3 PRO 74 1HB PRO 74 -4.691 6.229 7.214 537 HG2 PRO 74 2HG PRO 74 -3.626 4.806 9.616 538 HG3 PRO 74 1HG PRO 74 -5.149 5.699 9.416 539 HD2 PRO 74 2HD PRO 74 -5.038 2.982 9.299 540 HD3 PRO 74 1HD PRO 74 -6.195 3.957 8.355 541 H THR 75 H THR 75 -2.622 2.320 7.782 542 HA THR 75 HA THR 75 0.200 3.192 7.405 543 HB THR 75 HB THR 75 0.582 1.370 9.222 544 HG1 THR 75 1HG THR 75 -1.188 0.438 9.803 545 HG21 THR 75 3HG2 THR 75 -0.150 3.059 11.016 546 HG22 THR 75 1HG2 THR 75 -0.729 4.054 9.679 547 HG23 THR 75 2HG2 THR 75 0.982 3.638 9.793 548 H ILE 76 H ILE 76 1.746 1.467 7.010 549 HA ILE 76 HA ILE 76 0.878 -0.204 4.854 550 HB ILE 76 HB ILE 76 3.484 0.346 6.241 551 HG12 ILE 76 2HG1 ILE 76 4.182 0.636 3.817 552 HG13 ILE 76 1HG1 ILE 76 2.509 0.337 3.393 553 HG21 ILE 76 1HG2 ILE 76 2.866 -2.099 4.594 554 HG22 ILE 76 2HG2 ILE 76 3.703 -1.997 6.142 555 HG23 ILE 76 3HG2 ILE 76 4.496 -1.427 4.676 556 HD11 ILE 76 3HD1 ILE 76 3.323 2.482 5.306 557 HD12 ILE 76 1HD1 ILE 76 1.751 2.245 4.555 558 HD13 ILE 76 2HD1 ILE 76 3.127 2.753 3.575 559 H ASP 77 H ASP 77 1.742 -0.740 8.222 560 HA ASP 77 HA ASP 77 1.916 -3.504 8.260 561 HB2 ASP 77 2HB ASP 77 2.403 -2.143 10.221 562 HB3 ASP 77 1HB ASP 77 0.714 -1.651 10.332 563 H ALA 78 H ALA 78 -1.005 -1.466 8.570 564 HA ALA 78 HA ALA 78 -2.786 -3.696 8.752 565 HB1 ALA 78 1HB ALA 78 -3.477 -1.605 9.708 566 HB2 ALA 78 2HB ALA 78 -4.535 -1.928 8.337 567 HB3 ALA 78 3HB ALA 78 -3.225 -0.755 8.183 568 H LEU 79 H LEU 79 -1.946 -1.410 6.153 569 HA LEU 79 HA LEU 79 -3.653 -2.446 4.219 570 HB2 LEU 79 2HB LEU 79 -1.766 -0.417 4.301 571 HB3 LEU 79 1HB LEU 79 -1.004 -1.542 3.204 572 HG LEU 79 HG LEU 79 -2.366 -0.036 1.901 573 HD11 LEU 79 1HD1 LEU 79 -4.176 -2.424 1.928 574 HD12 LEU 79 2HD1 LEU 79 -2.475 -2.730 1.628 575 HD13 LEU 79 3HD1 LEU 79 -3.362 -1.641 0.574 576 HD21 LEU 79 3HD2 LEU 79 -4.989 -0.862 3.037 577 HD22 LEU 79 1HD2 LEU 79 -4.421 0.740 2.579 578 HD23 LEU 79 2HD2 LEU 79 -4.012 0.082 4.157 579 H SER 80 H SER 80 -0.302 -3.320 4.945 580 HA SER 80 HA SER 80 -0.012 -5.262 2.921 581 HB2 SER 80 2HB SER 80 1.875 -6.093 4.288 582 HB3 SER 80 1HB SER 80 1.913 -4.340 4.107 583 HG SER 80 HG SER 80 2.111 -4.548 6.231 584 H THR 81 H THR 81 -1.007 -5.511 6.321 585 HA THR 81 HA THR 81 -1.288 -8.299 6.461 586 HB THR 81 HB THR 81 -2.891 -6.148 7.862 587 HG1 THR 81 1HG THR 81 -0.428 -6.552 8.028 588 HG21 THR 81 3HG2 THR 81 -4.117 -8.177 8.084 589 HG22 THR 81 1HG2 THR 81 -3.173 -8.034 9.568 590 HG23 THR 81 2HG2 THR 81 -2.644 -9.128 8.287 591 H ALA 82 H ALA 82 -3.587 -5.806 5.398 592 HA ALA 82 HA ALA 82 -5.738 -7.624 4.946 593 HB1 ALA 82 1HB ALA 82 -6.825 -5.763 3.860 594 HB2 ALA 82 2HB ALA 82 -5.289 -4.916 3.669 595 HB3 ALA 82 3HB ALA 82 -5.977 -5.141 5.276 596 H LEU 83 H LEU 83 -3.200 -6.203 2.853 597 HA LEU 83 HA LEU 83 -4.209 -7.196 0.447 598 HB2 LEU 83 2HB LEU 83 -2.066 -5.597 1.216 599 HB3 LEU 83 1HB LEU 83 -1.238 -7.021 0.607 600 HG LEU 83 HG LEU 83 -3.367 -5.479 -0.901 601 HD11 LEU 83 1HD1 LEU 83 -1.245 -4.242 -0.603 602 HD12 LEU 83 2HD1 LEU 83 -1.512 -4.706 -2.284 603 HD13 LEU 83 3HD1 LEU 83 -0.375 -5.610 -1.289 604 HD21 LEU 83 3HD2 LEU 83 -1.656 -7.896 -1.524 605 HD22 LEU 83 1HD2 LEU 83 -2.374 -6.916 -2.799 606 HD23 LEU 83 2HD2 LEU 83 -3.414 -7.755 -1.645 607 H VAL 84 H VAL 84 -1.703 -8.534 2.602 608 HA VAL 84 HA VAL 84 -1.203 -10.856 1.098 609 HB VAL 84 HB VAL 84 0.234 -10.027 2.955 610 HG11 VAL 84 1HG1 VAL 84 -1.912 -11.197 4.747 611 HG12 VAL 84 2HG1 VAL 84 -1.658 -9.487 4.459 612 HG13 VAL 84 3HG1 VAL 84 -0.413 -10.421 5.256 613 HG21 VAL 84 3HG2 VAL 84 -0.831 -12.857 3.173 614 HG22 VAL 84 1HG2 VAL 84 0.630 -12.290 3.971 615 HG23 VAL 84 2HG2 VAL 84 0.539 -12.309 2.210 616 H ALA 85 H ALA 85 -3.675 -10.040 3.467 617 HA ALA 85 HA ALA 85 -4.673 -12.602 4.004 618 HB1 ALA 85 1HB ALA 85 -6.637 -11.520 4.801 619 HB2 ALA 85 2HB ALA 85 -6.387 -10.134 3.743 620 HB3 ALA 85 3HB ALA 85 -5.317 -10.396 5.119 621 H GLU 86 H GLU 86 -5.219 -10.373 1.319 622 HA GLU 86 HA GLU 86 -7.411 -11.643 0.090 623 HB2 GLU 86 2HB GLU 86 -5.072 -10.251 -1.251 624 HB3 GLU 86 1HB GLU 86 -6.633 -10.586 -1.991 625 HG2 GLU 86 2HG GLU 86 -6.254 -8.929 0.497 626 HG3 GLU 86 1HG GLU 86 -6.451 -8.253 -1.110 627 H LEU 87 H LEU 87 -4.155 -12.684 0.452 628 HA LEU 87 HA LEU 87 -4.474 -14.734 -1.647 629 HB2 LEU 87 2HB LEU 87 -2.407 -13.321 -1.698 630 HB3 LEU 87 1HB LEU 87 -1.967 -13.975 -0.123 631 HG LEU 87 HG LEU 87 -2.030 -16.276 -1.110 632 HD11 LEU 87 1HD1 LEU 87 -2.824 -14.682 -3.534 633 HD12 LEU 87 2HD1 LEU 87 -3.421 -16.246 -2.977 634 HD13 LEU 87 3HD1 LEU 87 -1.853 -16.138 -3.762 635 HD21 LEU 87 3HD2 LEU 87 -0.222 -14.294 -2.497 636 HD22 LEU 87 1HD2 LEU 87 0.047 -16.035 -2.415 637 HD23 LEU 87 2HD2 LEU 87 0.083 -15.065 -0.941 638 H ARG 88 H ARG 88 -4.390 -14.247 1.767 639 HA ARG 88 HA ARG 88 -4.655 -17.153 2.167 640 HB2 ARG 88 2HB ARG 88 -2.530 -17.068 3.055 641 HB3 ARG 88 1HB ARG 88 -2.592 -15.324 3.287 642 HG2 ARG 88 2HG ARG 88 -3.857 -15.544 5.317 643 HG3 ARG 88 1HG ARG 88 -4.137 -17.268 5.022 644 HD2 ARG 88 2HD ARG 88 -1.400 -16.074 5.375 645 HD3 ARG 88 1HD ARG 88 -2.367 -16.700 6.699 646 HE ARG 88 HE ARG 88 -2.277 -18.689 4.740 647 HH11 ARG 88 1HH2 ARG 88 -0.153 -16.954 6.844 648 HH12 ARG 88 2HH2 ARG 88 0.990 -18.247 6.983 649 HH21 ARG 88 1HH1 ARG 88 -0.785 -20.392 4.915 650 HH22 ARG 88 2HH1 ARG 88 0.634 -20.194 5.890 651 H SER 89 H SER 89 -6.390 -17.658 3.347 652 HA SER 89 HA SER 89 -7.506 -15.620 5.185 653 HB2 SER 89 2HB SER 89 -8.836 -15.636 3.125 654 HB3 SER 89 1HB SER 89 -9.049 -17.379 3.264 655 HG SER 89 HG SER 89 -10.210 -17.070 5.128 656 H ALA 90 H ALA 90 -8.016 -16.375 7.143 657 HA ALA 90 HA ALA 90 -7.371 -19.107 7.814 658 HB1 ALA 90 1HB ALA 90 -8.672 -17.056 9.607 659 HB2 ALA 90 2HB ALA 90 -6.938 -17.075 9.283 660 HB3 ALA 90 3HB ALA 90 -7.702 -18.450 10.080 Start of MODEL 24 1 H1 GLY 1 1HT GLY 1 -10.691 -18.998 -17.210 2 H2 GLY 1 2HT GLY 1 -12.291 -19.465 -16.886 3 H3 GLY 1 3HT GLY 1 -11.552 -19.911 -18.350 4 HA2 GLY 1 2HA GLY 1 -11.567 -21.288 -15.897 5 HA3 GLY 1 1HA GLY 1 -10.875 -21.793 -17.439 6 H HIS 2 H HIS 2 -9.722 -18.796 -16.296 7 HA HIS 2 HA HIS 2 -7.558 -19.839 -14.694 8 HB2 HIS 2 2HB HIS 2 -6.895 -20.306 -17.105 9 HB3 HIS 2 1HB HIS 2 -6.830 -18.557 -17.332 10 HD1 HIS 2 1HD HIS 2 -4.177 -19.643 -17.727 11 HD2 HIS 2 2HD HIS 2 -5.580 -18.988 -13.855 12 HE1 HIS 2 1HE HIS 2 -2.136 -19.511 -16.234 13 HE2 HIS 2 2HE HIS 2 -2.978 -19.114 -13.870 14 H MET 3 H MET 3 -8.332 -18.322 -13.184 15 HA MET 3 HA MET 3 -8.831 -15.608 -13.701 16 HB2 MET 3 2HB MET 3 -7.943 -17.013 -11.174 17 HB3 MET 3 1HB MET 3 -8.441 -15.322 -11.231 18 HG2 MET 3 2HG MET 3 -10.632 -16.024 -12.178 19 HG3 MET 3 1HG MET 3 -10.132 -17.708 -12.037 20 HE1 MET 3 3HE MET 3 -9.186 -18.689 -10.075 21 HE2 MET 3 1HE MET 3 -10.879 -19.106 -9.786 22 HE3 MET 3 2HE MET 3 -9.873 -18.531 -8.460 23 H SER 4 H SER 4 -5.872 -17.186 -12.473 24 HA SER 4 HA SER 4 -3.693 -16.489 -12.434 25 HB2 SER 4 2HB SER 4 -4.392 -14.605 -14.678 26 HB3 SER 4 1HB SER 4 -2.868 -15.437 -14.379 27 HG SER 4 HG SER 4 -5.247 -16.358 -15.500 28 H ASP 5 H ASP 5 -4.514 -15.437 -10.358 29 HA ASP 5 HA ASP 5 -5.148 -12.757 -10.082 30 HB2 ASP 5 2HB ASP 5 -3.510 -14.560 -8.291 31 HB3 ASP 5 1HB ASP 5 -4.042 -12.947 -7.819 32 H LEU 6 H LEU 6 -1.884 -13.971 -9.338 33 HA LEU 6 HA LEU 6 -0.753 -11.640 -10.768 34 HB2 LEU 6 2HB LEU 6 -0.854 -11.399 -8.198 35 HB3 LEU 6 1HB LEU 6 0.356 -12.660 -8.163 36 HG LEU 6 HG LEU 6 1.648 -11.183 -9.895 37 HD11 LEU 6 1HD1 LEU 6 1.120 -8.705 -9.383 38 HD12 LEU 6 2HD1 LEU 6 -0.436 -9.282 -8.804 39 HD13 LEU 6 3HD1 LEU 6 0.038 -9.545 -10.479 40 HD21 LEU 6 3HD2 LEU 6 2.335 -11.580 -7.533 41 HD22 LEU 6 1HD2 LEU 6 1.333 -10.214 -7.037 42 HD23 LEU 6 2HD2 LEU 6 2.728 -9.952 -8.083 43 H SER 7 H SER 7 1.694 -13.070 -9.164 44 HA SER 7 HA SER 7 2.131 -15.423 -10.710 45 HB2 SER 7 2HB SER 7 3.941 -13.123 -11.412 46 HB3 SER 7 1HB SER 7 3.799 -14.690 -12.203 47 HG SER 7 HG SER 7 2.636 -12.592 -12.997 48 H THR 8 H THR 8 4.500 -16.143 -10.444 49 HA THR 8 HA THR 8 6.073 -16.864 -8.946 50 HB THR 8 HB THR 8 6.277 -14.039 -7.936 51 HG1 THR 8 1HG THR 8 7.677 -14.183 -10.125 52 HG21 THR 8 3HG2 THR 8 8.656 -14.524 -8.020 53 HG22 THR 8 1HG2 THR 8 8.358 -16.023 -8.901 54 HG23 THR 8 2HG2 THR 8 7.846 -15.870 -7.221 55 H ALA 9 H ALA 9 3.139 -16.090 -7.989 56 HA ALA 9 HA ALA 9 1.953 -16.447 -6.078 57 HB1 ALA 9 1HB ALA 9 4.397 -17.510 -4.754 58 HB2 ALA 9 2HB ALA 9 3.549 -18.413 -6.009 59 HB3 ALA 9 3HB ALA 9 2.705 -17.968 -4.519 60 HA PRO 10 HA PRO 10 3.292 -12.358 -4.464 61 HB2 PRO 10 2HB PRO 10 0.644 -12.707 -3.104 62 HB3 PRO 10 1HB PRO 10 1.269 -11.322 -4.014 63 HG2 PRO 10 2HG PRO 10 -0.563 -12.973 -5.039 64 HG3 PRO 10 1HG PRO 10 0.672 -12.184 -6.016 65 HD2 PRO 10 2HD PRO 10 0.465 -15.017 -5.192 66 HD3 PRO 10 1HD PRO 10 1.260 -14.311 -6.633 67 H THR 11 H THR 11 4.569 -12.095 -2.716 68 HA THR 11 HA THR 11 4.071 -13.786 -0.322 69 HB THR 11 HB THR 11 6.730 -12.733 -1.295 70 HG1 THR 11 1HG THR 11 5.245 -14.843 -2.083 71 HG21 THR 11 3HG2 THR 11 6.710 -13.109 1.083 72 HG22 THR 11 1HG2 THR 11 7.546 -14.472 0.341 73 HG23 THR 11 2HG2 THR 11 5.877 -14.650 0.883 74 H LEU 12 H LEU 12 4.530 -12.855 1.703 75 HA LEU 12 HA LEU 12 3.504 -10.364 2.181 76 HB2 LEU 12 2HB LEU 12 5.511 -12.035 3.700 77 HB3 LEU 12 1HB LEU 12 5.035 -10.452 4.314 78 HG LEU 12 HG LEU 12 2.638 -11.192 4.140 79 HD11 LEU 12 1HD1 LEU 12 4.007 -13.829 3.538 80 HD12 LEU 12 2HD1 LEU 12 2.828 -12.995 2.537 81 HD13 LEU 12 3HD1 LEU 12 2.329 -13.711 4.061 82 HD21 LEU 12 3HD2 LEU 12 4.467 -12.839 5.904 83 HD22 LEU 12 1HD2 LEU 12 2.737 -12.617 6.162 84 HD23 LEU 12 2HD2 LEU 12 3.831 -11.239 6.280 85 H ASP 13 H ASP 13 6.877 -11.173 1.555 86 HA ASP 13 HA ASP 13 7.901 -8.561 1.989 87 HB2 ASP 13 2HB ASP 13 9.148 -10.526 0.086 88 HB3 ASP 13 1HB ASP 13 9.935 -9.364 1.139 89 H SER 14 H SER 14 6.589 -10.211 -0.865 90 HA SER 14 HA SER 14 7.408 -8.298 -2.769 91 HB2 SER 14 2HB SER 14 6.007 -9.411 -4.268 92 HB3 SER 14 1HB SER 14 6.616 -10.660 -3.187 93 HG SER 14 HG SER 14 4.073 -9.791 -3.588 94 H LEU 15 H LEU 15 4.470 -8.680 -0.825 95 HA LEU 15 HA LEU 15 3.110 -6.516 -1.987 96 HB2 LEU 15 2HB LEU 15 2.751 -8.072 0.530 97 HB3 LEU 15 1HB LEU 15 1.756 -6.651 0.241 98 HG LEU 15 HG LEU 15 0.829 -7.585 -1.733 99 HD11 LEU 15 1HD1 LEU 15 2.753 -8.550 -2.816 100 HD12 LEU 15 2HD1 LEU 15 1.635 -9.859 -2.527 101 HD13 LEU 15 3HD1 LEU 15 2.989 -9.637 -1.467 102 HD21 LEU 15 3HD2 LEU 15 1.136 -9.826 0.282 103 HD22 LEU 15 1HD2 LEU 15 -0.149 -9.684 -0.914 104 HD23 LEU 15 2HD2 LEU 15 -0.022 -8.522 0.409 105 H ARG 16 H ARG 16 4.221 -6.741 1.322 106 HA ARG 16 HA ARG 16 4.159 -4.206 2.195 107 HB2 ARG 16 2HB ARG 16 5.181 -6.013 3.511 108 HB3 ARG 16 1HB ARG 16 6.589 -5.980 2.466 109 HG2 ARG 16 2HG ARG 16 5.843 -3.333 3.628 110 HG3 ARG 16 1HG ARG 16 6.367 -4.529 4.808 111 HD2 ARG 16 2HD ARG 16 8.402 -4.944 3.328 112 HD3 ARG 16 1HD ARG 16 7.907 -3.543 2.397 113 HE ARG 16 HE ARG 16 8.590 -2.174 4.139 114 HH11 ARG 16 1HH2 ARG 16 8.456 -5.501 5.089 115 HH12 ARG 16 2HH2 ARG 16 9.265 -5.246 6.598 116 HH21 ARG 16 1HH1 ARG 16 9.651 -1.833 6.116 117 HH22 ARG 16 2HH1 ARG 16 9.942 -3.169 7.179 118 H VAL 17 H VAL 17 6.978 -5.415 0.342 119 HA VAL 17 HA VAL 17 8.344 -3.013 0.144 120 HB VAL 17 HB VAL 17 9.429 -3.989 -1.850 121 HG11 VAL 17 1HG1 VAL 17 9.859 -6.364 -0.685 122 HG12 VAL 17 2HG1 VAL 17 8.938 -5.623 0.629 123 HG13 VAL 17 3HG1 VAL 17 10.423 -4.866 0.071 124 HG21 VAL 17 3HG2 VAL 17 7.060 -5.749 -1.677 125 HG22 VAL 17 1HG2 VAL 17 8.523 -6.411 -2.357 126 HG23 VAL 17 2HG2 VAL 17 7.753 -5.023 -3.111 127 H TRP 18 H TRP 18 6.122 -4.382 -2.300 128 HA TRP 18 HA TRP 18 6.243 -2.262 -4.088 129 HB2 TRP 18 2HB TRP 18 4.667 -3.463 -5.210 130 HB3 TRP 18 1HB TRP 18 4.810 -4.624 -3.895 131 HD1 TRP 18 HD TRP 18 2.746 -4.842 -2.381 132 HE1 TRP 18 1HE TRP 18 0.478 -3.808 -2.143 133 HE3 TRP 18 3HE TRP 18 3.385 -1.037 -5.604 134 HZ2 TRP 18 2HZ TRP 18 -0.925 -1.557 -3.221 135 HZ3 TRP 18 3HZ TRP 18 1.557 0.552 -6.007 136 HH2 TRP 18 HH TRP 18 -0.597 0.276 -4.793 137 H LEU 19 H LEU 19 4.084 -2.673 -1.312 138 HA LEU 19 HA LEU 19 2.478 -0.434 -1.678 139 HB2 LEU 19 2HB LEU 19 3.366 -2.071 0.642 140 HB3 LEU 19 1HB LEU 19 2.689 -0.505 1.036 141 HG LEU 19 HG LEU 19 1.202 -2.222 -0.902 142 HD11 LEU 19 1HD1 LEU 19 1.804 -3.582 1.178 143 HD12 LEU 19 2HD1 LEU 19 0.114 -3.458 0.745 144 HD13 LEU 19 3HD1 LEU 19 0.759 -2.454 2.039 145 HD21 LEU 19 3HD2 LEU 19 -0.698 -1.001 -0.044 146 HD22 LEU 19 1HD2 LEU 19 0.580 0.157 -0.415 147 HD23 LEU 19 2HD2 LEU 19 0.291 -0.330 1.253 148 H VAL 20 H VAL 20 5.279 -0.562 0.566 149 HA VAL 20 HA VAL 20 5.396 2.216 0.941 150 HB VAL 20 HB VAL 20 6.490 0.669 2.464 151 HG11 VAL 20 1HG1 VAL 20 7.121 -0.929 0.591 152 HG12 VAL 20 2HG1 VAL 20 8.334 -0.705 1.829 153 HG13 VAL 20 3HG1 VAL 20 8.503 0.104 0.278 154 HG21 VAL 20 3HG2 VAL 20 7.415 3.006 2.085 155 HG22 VAL 20 1HG2 VAL 20 8.626 2.273 1.036 156 HG23 VAL 20 2HG2 VAL 20 8.570 1.849 2.744 157 H ASP 21 H ASP 21 7.257 0.112 -1.254 158 HA ASP 21 HA ASP 21 8.887 2.068 -2.388 159 HB2 ASP 21 2HB ASP 21 8.974 -0.459 -2.743 160 HB3 ASP 21 1HB ASP 21 7.675 -0.250 -3.917 161 H CYS 22 H CYS 22 5.521 1.343 -2.929 162 HA CYS 22 HA CYS 22 5.217 2.782 -5.383 163 HB2 CYS 22 2HB CYS 22 3.592 1.101 -4.621 164 HB3 CYS 22 1HB CYS 22 3.133 2.152 -3.296 165 HG CYS 22 HG CYS 22 2.865 3.308 -6.143 166 H VAL 23 H VAL 23 4.771 3.605 -1.952 167 HA VAL 23 HA VAL 23 3.772 6.237 -2.355 168 HB VAL 23 HB VAL 23 5.502 5.312 -0.073 169 HG11 VAL 23 1HG1 VAL 23 3.146 7.193 0.031 170 HG12 VAL 23 2HG1 VAL 23 4.747 7.789 -0.401 171 HG13 VAL 23 3HG1 VAL 23 4.484 7.038 1.161 172 HG21 VAL 23 3HG2 VAL 23 2.589 4.811 -0.682 173 HG22 VAL 23 1HG2 VAL 23 3.213 4.762 0.977 174 HG23 VAL 23 2HG2 VAL 23 3.827 3.637 -0.242 175 H ALA 24 H ALA 24 7.114 5.059 -1.758 176 HA ALA 24 HA ALA 24 8.462 7.477 -1.813 177 HB1 ALA 24 1HB ALA 24 10.415 6.240 -2.228 178 HB2 ALA 24 2HB ALA 24 9.551 5.018 -3.163 179 HB3 ALA 24 3HB ALA 24 9.353 5.094 -1.415 180 H GLY 25 H GLY 25 7.611 5.364 -4.548 181 HA2 GLY 25 2HA GLY 25 8.729 6.992 -6.582 182 HA3 GLY 25 1HA GLY 25 7.454 5.801 -6.817 183 H HIS 26 H HIS 26 5.419 6.826 -5.253 184 HA HIS 26 HA HIS 26 4.186 8.650 -6.949 185 HB2 HIS 26 2HB HIS 26 3.733 7.899 -4.062 186 HB3 HIS 26 1HB HIS 26 2.734 9.136 -4.828 187 HD1 HIS 26 1HD HIS 26 2.257 8.033 -7.577 188 HD2 HIS 26 2HD HIS 26 2.187 5.608 -4.187 189 HE1 HIS 26 1HE HIS 26 0.895 5.987 -8.189 190 HE2 HIS 26 2HE HIS 26 0.843 4.502 -6.133 191 H LEU 27 H LEU 27 5.696 9.344 -3.760 192 HA LEU 27 HA LEU 27 5.506 12.201 -4.256 193 HB2 LEU 27 2HB LEU 27 6.857 10.709 -1.997 194 HB3 LEU 27 1HB LEU 27 6.433 12.422 -2.026 195 HG LEU 27 HG LEU 27 4.465 10.121 -2.182 196 HD11 LEU 27 1HD1 LEU 27 3.855 10.680 0.072 197 HD12 LEU 27 2HD1 LEU 27 4.849 12.136 0.046 198 HD13 LEU 27 3HD1 LEU 27 5.615 10.546 0.055 199 HD21 LEU 27 3HD2 LEU 27 4.210 13.117 -2.364 200 HD22 LEU 27 1HD2 LEU 27 2.886 12.169 -1.687 201 HD23 LEU 27 2HD2 LEU 27 3.422 11.870 -3.334 202 H GLY 28 H GLY 28 7.975 9.705 -4.218 203 HA2 GLY 28 2HA GLY 28 9.881 9.824 -5.666 204 HA3 GLY 28 1HA GLY 28 9.830 11.577 -5.545 205 H LEU 29 H LEU 29 9.223 10.645 -2.497 206 HA LEU 29 HA LEU 29 11.826 11.291 -1.542 207 HB2 LEU 29 2HB LEU 29 9.594 9.985 0.024 208 HB3 LEU 29 1HB LEU 29 10.907 10.984 0.645 209 HG LEU 29 HG LEU 29 8.688 11.905 -1.194 210 HD11 LEU 29 1HD1 LEU 29 9.326 12.664 1.670 211 HD12 LEU 29 2HD1 LEU 29 8.052 11.539 1.194 212 HD13 LEU 29 3HD1 LEU 29 7.958 13.234 0.714 213 HD21 LEU 29 3HD2 LEU 29 11.186 13.240 -0.143 214 HD22 LEU 29 1HD2 LEU 29 9.771 14.191 -0.591 215 HD23 LEU 29 2HD2 LEU 29 10.574 13.198 -1.799 216 H ASP 30 H ASP 30 12.564 9.690 0.395 217 HA ASP 30 HA ASP 30 13.459 7.295 -1.010 218 HB2 ASP 30 2HB ASP 30 15.057 8.633 0.296 219 HB3 ASP 30 1HB ASP 30 14.135 8.304 1.747 220 H ALA 31 H ALA 31 12.757 5.278 -0.658 221 HA ALA 31 HA ALA 31 10.351 4.747 0.664 222 HB1 ALA 31 1HB ALA 31 12.500 2.795 -0.073 223 HB2 ALA 31 2HB ALA 31 11.218 3.357 -1.146 224 HB3 ALA 31 3HB ALA 31 10.816 2.415 0.287 225 H ALA 32 H ALA 32 13.682 4.578 1.757 226 HA ALA 32 HA ALA 32 13.196 3.028 4.075 227 HB1 ALA 32 1HB ALA 32 15.429 3.719 4.750 228 HB2 ALA 32 2HB ALA 32 15.420 5.014 3.552 229 HB3 ALA 32 3HB ALA 32 15.429 3.331 3.028 230 H THR 33 H THR 33 12.407 6.222 3.303 231 HA THR 33 HA THR 33 11.831 6.791 6.151 232 HB THR 33 HB THR 33 12.398 9.220 5.561 233 HG1 THR 33 1HG THR 33 13.217 9.570 3.683 234 HG21 THR 33 3HG2 THR 33 14.533 7.071 5.728 235 HG22 THR 33 1HG2 THR 33 13.804 7.950 7.073 236 HG23 THR 33 2HG2 THR 33 14.861 8.791 5.939 237 H ILE 34 H ILE 34 10.101 5.744 4.126 238 HA ILE 34 HA ILE 34 8.491 7.940 3.149 239 HB ILE 34 HB ILE 34 8.352 4.941 3.097 240 HG12 ILE 34 2HG1 ILE 34 9.324 6.411 1.286 241 HG13 ILE 34 1HG1 ILE 34 8.042 5.332 0.718 242 HG21 ILE 34 1HG2 ILE 34 6.112 5.235 3.801 243 HG22 ILE 34 2HG2 ILE 34 6.000 5.221 2.076 244 HG23 ILE 34 3HG2 ILE 34 5.947 6.756 2.933 245 HD11 ILE 34 3HD1 ILE 34 6.978 7.170 -0.060 246 HD12 ILE 34 1HD1 ILE 34 8.202 8.217 0.644 247 HD13 ILE 34 2HD1 ILE 34 6.791 7.769 1.575 248 H ALA 35 H ALA 35 7.426 5.245 5.207 249 HA ALA 35 HA ALA 35 6.730 6.592 7.487 250 HB1 ALA 35 1HB ALA 35 4.703 6.923 5.286 251 HB2 ALA 35 2HB ALA 35 5.267 8.110 6.477 252 HB3 ALA 35 3HB ALA 35 4.178 6.841 6.966 253 H THR 36 H THR 36 7.279 3.921 6.115 254 HA THR 36 HA THR 36 5.433 2.031 6.144 255 HB THR 36 HB THR 36 7.047 0.468 7.014 256 HG1 THR 36 1HG THR 36 7.979 2.767 8.327 257 HG21 THR 36 3HG2 THR 36 7.598 1.666 4.862 258 HG22 THR 36 1HG2 THR 36 9.003 1.038 5.721 259 HG23 THR 36 2HG2 THR 36 8.618 2.757 5.800 260 H ASP 37 H ASP 37 6.639 3.588 9.126 261 HA ASP 37 HA ASP 37 4.663 2.091 10.707 262 HB2 ASP 37 2HB ASP 37 7.058 2.347 11.465 263 HB3 ASP 37 1HB ASP 37 6.773 4.079 11.619 264 H LEU 38 H LEU 38 5.148 5.158 9.215 265 HA LEU 38 HA LEU 38 3.149 6.429 10.927 266 HB2 LEU 38 2HB LEU 38 5.210 7.410 8.984 267 HB3 LEU 38 1HB LEU 38 3.808 8.418 9.226 268 HG LEU 38 HG LEU 38 4.368 7.974 11.819 269 HD11 LEU 38 1HD1 LEU 38 6.211 6.421 11.307 270 HD12 LEU 38 2HD1 LEU 38 6.785 7.853 12.162 271 HD13 LEU 38 3HD1 LEU 38 7.028 7.707 10.420 272 HD21 LEU 38 3HD2 LEU 38 5.890 9.901 10.062 273 HD22 LEU 38 1HD2 LEU 38 5.658 10.050 11.805 274 HD23 LEU 38 2HD2 LEU 38 4.271 10.162 10.715 275 HA PRO 39 HA PRO 39 -0.102 6.027 8.020 276 HB2 PRO 39 2HB PRO 39 -1.458 8.396 8.369 277 HB3 PRO 39 1HB PRO 39 -1.499 7.066 9.542 278 HG2 PRO 39 2HG PRO 39 0.126 9.577 9.580 279 HG3 PRO 39 1HG PRO 39 -0.705 8.746 10.911 280 HD2 PRO 39 2HD PRO 39 1.972 8.532 10.507 281 HD3 PRO 39 1HD PRO 39 1.009 7.227 11.217 282 H LEU 40 H LEU 40 -1.252 7.336 6.202 283 HA LEU 40 HA LEU 40 0.765 8.247 4.363 284 HB2 LEU 40 2HB LEU 40 -0.975 8.310 2.729 285 HB3 LEU 40 1HB LEU 40 -1.301 6.903 3.740 286 HG LEU 40 HG LEU 40 -2.595 9.616 4.151 287 HD11 LEU 40 1HD1 LEU 40 -3.204 8.441 2.014 288 HD12 LEU 40 2HD1 LEU 40 -4.540 8.756 3.124 289 HD13 LEU 40 3HD1 LEU 40 -3.845 7.138 3.018 290 HD21 LEU 40 3HD2 LEU 40 -2.623 8.480 6.217 291 HD22 LEU 40 1HD2 LEU 40 -2.857 6.916 5.439 292 HD23 LEU 40 2HD2 LEU 40 -4.170 8.089 5.500 293 H THR 41 H THR 41 -1.440 9.730 6.567 294 HA THR 41 HA THR 41 -1.871 12.222 5.459 295 HB THR 41 HB THR 41 -1.209 11.880 8.386 296 HG1 THR 41 1HG THR 41 -2.528 10.151 7.795 297 HG21 THR 41 3HG2 THR 41 -1.811 14.126 7.409 298 HG22 THR 41 1HG2 THR 41 -2.917 13.568 8.665 299 HG23 THR 41 2HG2 THR 41 -3.380 13.447 6.967 300 H SER 42 H SER 42 1.030 10.939 7.041 301 HA SER 42 HA SER 42 2.489 13.152 7.595 302 HB2 SER 42 2HB SER 42 4.419 11.802 7.380 303 HB3 SER 42 1HB SER 42 3.139 10.637 7.705 304 HG SER 42 HG SER 42 4.743 10.548 5.723 305 H TYR 43 H TYR 43 1.690 11.898 4.408 306 HA TYR 43 HA TYR 43 3.537 13.545 2.959 307 HB2 TYR 43 2HB TYR 43 0.991 12.430 1.816 308 HB3 TYR 43 1HB TYR 43 2.535 12.651 1.035 309 HD1 TYR 43 1HD TYR 43 4.240 11.500 3.384 310 HD2 TYR 43 2HD TYR 43 0.752 10.079 1.298 311 HE1 TYR 43 1HE TYR 43 4.850 9.211 3.955 312 HE2 TYR 43 2HE TYR 43 1.387 7.753 1.877 313 HH TYR 43 HH TYR 43 2.719 6.497 3.244 314 H GLY 44 H GLY 44 0.826 14.309 4.687 315 HA2 GLY 44 2HA GLY 44 -0.427 16.225 4.872 316 HA3 GLY 44 1HA GLY 44 0.826 17.009 3.912 317 H LEU 45 H LEU 45 -0.773 14.247 2.598 318 HA LEU 45 HA LEU 45 -1.708 15.722 0.341 319 HB2 LEU 45 2HB LEU 45 -2.430 13.645 -0.512 320 HB3 LEU 45 1HB LEU 45 -0.979 13.269 0.402 321 HG LEU 45 HG LEU 45 -3.831 12.921 1.399 322 HD11 LEU 45 1HD1 LEU 45 -2.851 11.302 -0.341 323 HD12 LEU 45 2HD1 LEU 45 -3.579 10.650 1.125 324 HD13 LEU 45 3HD1 LEU 45 -1.824 10.752 0.981 325 HD21 LEU 45 3HD2 LEU 45 -2.457 13.469 3.302 326 HD22 LEU 45 1HD2 LEU 45 -1.119 12.537 2.667 327 HD23 LEU 45 2HD2 LEU 45 -2.546 11.730 3.276 328 H ASP 46 H ASP 46 -3.679 16.536 -0.100 329 HA ASP 46 HA ASP 46 -5.550 16.982 1.975 330 HB2 ASP 46 2HB ASP 46 -5.704 17.301 -1.020 331 HB3 ASP 46 1HB ASP 46 -7.045 17.725 0.040 332 H SER 47 H SER 47 -8.017 16.475 1.413 333 HA SER 47 HA SER 47 -8.294 13.649 1.708 334 HB2 SER 47 2HB SER 47 -10.750 14.199 1.665 335 HB3 SER 47 1HB SER 47 -9.826 15.077 2.881 336 HG SER 47 HG SER 47 -11.028 15.965 0.528 337 H VAL 48 H VAL 48 -8.759 15.938 -0.918 338 HA VAL 48 HA VAL 48 -10.140 14.219 -2.690 339 HB VAL 48 HB VAL 48 -9.992 16.690 -2.951 340 HG11 VAL 48 1HG1 VAL 48 -7.506 16.724 -2.392 341 HG12 VAL 48 2HG1 VAL 48 -7.989 17.716 -3.767 342 HG13 VAL 48 3HG1 VAL 48 -7.219 16.152 -4.035 343 HG21 VAL 48 3HG2 VAL 48 -10.634 15.217 -4.842 344 HG22 VAL 48 1HG2 VAL 48 -8.937 15.083 -5.301 345 HG23 VAL 48 2HG2 VAL 48 -9.755 16.641 -5.400 346 H TYR 49 H TYR 49 -6.829 14.450 -1.748 347 HA TYR 49 HA TYR 49 -5.708 13.185 -4.046 348 HB2 TYR 49 2HB TYR 49 -4.711 14.414 -1.723 349 HB3 TYR 49 1HB TYR 49 -4.231 12.732 -1.545 350 HD1 TYR 49 1HD TYR 49 -4.511 15.176 -4.391 351 HD2 TYR 49 2HD TYR 49 -2.088 12.271 -2.353 352 HE1 TYR 49 1HE TYR 49 -2.707 15.517 -6.048 353 HE2 TYR 49 2HE TYR 49 -0.282 12.630 -3.987 354 HH TYR 49 HH TYR 49 -0.718 14.070 -6.924 355 H ALA 50 H ALA 50 -6.748 12.000 -0.874 356 HA ALA 50 HA ALA 50 -5.912 9.404 -0.930 357 HB1 ALA 50 1HB ALA 50 -7.175 10.310 0.945 358 HB2 ALA 50 2HB ALA 50 -7.962 8.844 0.361 359 HB3 ALA 50 3HB ALA 50 -8.625 10.425 -0.053 360 H LEU 51 H LEU 51 -8.643 10.786 -2.677 361 HA LEU 51 HA LEU 51 -9.653 8.324 -3.677 362 HB2 LEU 51 2HB LEU 51 -11.206 9.612 -4.797 363 HB3 LEU 51 1HB LEU 51 -10.685 10.772 -3.584 364 HG LEU 51 HG LEU 51 -8.867 11.424 -5.386 365 HD11 LEU 51 1HD1 LEU 51 -10.233 9.391 -6.811 366 HD12 LEU 51 2HD1 LEU 51 -9.049 10.522 -7.440 367 HD13 LEU 51 3HD1 LEU 51 -10.760 10.906 -7.525 368 HD21 LEU 51 3HD2 LEU 51 -10.345 13.086 -6.310 369 HD22 LEU 51 1HD2 LEU 51 -10.641 12.890 -4.581 370 HD23 LEU 51 2HD2 LEU 51 -11.741 12.163 -5.751 371 H SER 52 H SER 52 -7.273 10.641 -4.875 372 HA SER 52 HA SER 52 -6.986 9.416 -7.438 373 HB2 SER 52 2HB SER 52 -6.394 11.833 -6.746 374 HB3 SER 52 1HB SER 52 -4.905 11.141 -6.082 375 HG SER 52 HG SER 52 -5.438 10.174 -8.560 376 H ILE 53 H ILE 53 -4.944 9.492 -4.511 377 HA ILE 53 HA ILE 53 -3.003 7.667 -5.462 378 HB ILE 53 HB ILE 53 -3.833 8.143 -2.583 379 HG12 ILE 53 2HG1 ILE 53 -3.394 10.282 -3.724 380 HG13 ILE 53 1HG1 ILE 53 -2.059 9.895 -2.623 381 HG21 ILE 53 1HG2 ILE 53 -1.215 7.257 -3.850 382 HG22 ILE 53 2HG2 ILE 53 -2.321 6.231 -2.955 383 HG23 ILE 53 3HG2 ILE 53 -1.477 7.533 -2.128 384 HD11 ILE 53 3HD1 ILE 53 -1.006 8.764 -4.780 385 HD12 ILE 53 1HD1 ILE 53 -0.907 10.498 -4.559 386 HD13 ILE 53 2HD1 ILE 53 -2.126 9.822 -5.623 387 H ALA 54 H ALA 54 -5.755 7.142 -3.276 388 HA ALA 54 HA ALA 54 -5.492 4.391 -2.941 389 HB1 ALA 54 1HB ALA 54 -7.109 5.808 -1.699 390 HB2 ALA 54 2HB ALA 54 -7.866 4.366 -2.376 391 HB3 ALA 54 3HB ALA 54 -8.093 5.926 -3.161 392 H ALA 55 H ALA 55 -7.150 6.203 -5.515 393 HA ALA 55 HA ALA 55 -8.181 3.930 -6.875 394 HB1 ALA 55 1HB ALA 55 -8.423 5.494 -8.794 395 HB2 ALA 55 2HB ALA 55 -7.513 6.702 -7.884 396 HB3 ALA 55 3HB ALA 55 -9.080 6.146 -7.292 397 H GLU 56 H GLU 56 -5.109 5.635 -7.007 398 HA GLU 56 HA GLU 56 -4.155 4.330 -9.362 399 HB2 GLU 56 2HB GLU 56 -2.836 5.918 -7.171 400 HB3 GLU 56 1HB GLU 56 -1.891 5.157 -8.451 401 HG2 GLU 56 2HG GLU 56 -4.222 7.007 -8.996 402 HG3 GLU 56 1HG GLU 56 -2.553 7.562 -8.906 403 H LEU 57 H LEU 57 -3.562 3.851 -5.886 404 HA LEU 57 HA LEU 57 -1.745 1.738 -6.112 405 HB2 LEU 57 2HB LEU 57 -3.842 2.255 -3.964 406 HB3 LEU 57 1HB LEU 57 -2.472 1.168 -3.785 407 HG LEU 57 HG LEU 57 -2.100 4.072 -4.517 408 HD11 LEU 57 1HD1 LEU 57 -3.226 4.186 -2.417 409 HD12 LEU 57 2HD1 LEU 57 -1.506 4.301 -2.029 410 HD13 LEU 57 3HD1 LEU 57 -2.362 2.783 -1.796 411 HD21 LEU 57 3HD2 LEU 57 -0.311 1.954 -3.290 412 HD22 LEU 57 1HD2 LEU 57 0.152 3.631 -3.529 413 HD23 LEU 57 2HD2 LEU 57 -0.181 2.616 -4.912 414 H GLU 58 H GLU 58 -5.262 1.625 -5.760 415 HA GLU 58 HA GLU 58 -5.422 -1.231 -5.907 416 HB2 GLU 58 2HB GLU 58 -7.818 -0.854 -6.253 417 HB3 GLU 58 1HB GLU 58 -7.193 0.012 -4.897 418 HG2 GLU 58 2HG GLU 58 -8.288 1.790 -5.848 419 HG3 GLU 58 1HG GLU 58 -6.826 1.892 -6.806 420 H ASP 59 H ASP 59 -5.608 1.351 -8.295 421 HA ASP 59 HA ASP 59 -6.510 -0.190 -10.482 422 HB2 ASP 59 2HB ASP 59 -4.941 2.347 -10.183 423 HB3 ASP 59 1HB ASP 59 -5.083 1.632 -11.782 424 H HIS 60 H HIS 60 -3.291 0.311 -9.137 425 HA HIS 60 HA HIS 60 -1.877 -0.991 -11.235 426 HB2 HIS 60 2HB HIS 60 -1.316 -0.150 -8.400 427 HB3 HIS 60 1HB HIS 60 -0.268 -1.396 -9.045 428 HD1 HIS 60 1HD HIS 60 0.778 -0.757 -11.558 429 HD2 HIS 60 2HD HIS 60 -0.597 2.418 -9.233 430 HE1 HIS 60 1HE HIS 60 1.812 1.341 -12.530 431 HE2 HIS 60 2HE HIS 60 0.983 3.285 -11.122 432 H LEU 61 H LEU 61 -3.331 -2.135 -8.208 433 HA LEU 61 HA LEU 61 -2.379 -4.844 -8.598 434 HB2 LEU 61 2HB LEU 61 -4.173 -3.539 -6.529 435 HB3 LEU 61 1HB LEU 61 -3.801 -5.254 -6.533 436 HG LEU 61 HG LEU 61 -1.560 -4.947 -5.956 437 HD11 LEU 61 1HD1 LEU 61 -1.766 -2.209 -7.234 438 HD12 LEU 61 2HD1 LEU 61 -0.809 -3.570 -7.806 439 HD13 LEU 61 3HD1 LEU 61 -0.365 -2.732 -6.354 440 HD21 LEU 61 3HD2 LEU 61 -1.556 -3.607 -4.070 441 HD22 LEU 61 1HD2 LEU 61 -3.297 -3.705 -4.356 442 HD23 LEU 61 2HD2 LEU 61 -2.390 -2.272 -4.894 443 H ASP 62 H ASP 62 -5.476 -3.129 -8.857 444 HA ASP 62 HA ASP 62 -7.107 -3.711 -10.425 445 HB2 ASP 62 2HB ASP 62 -6.114 -6.554 -10.152 446 HB3 ASP 62 1HB ASP 62 -7.285 -5.959 -11.276 447 H VAL 63 H VAL 63 -7.823 -3.051 -8.088 448 HA VAL 63 HA VAL 63 -9.798 -4.997 -7.229 449 HB VAL 63 HB VAL 63 -8.958 -4.749 -4.800 450 HG11 VAL 63 1HG1 VAL 63 -7.042 -6.229 -6.591 451 HG12 VAL 63 2HG1 VAL 63 -8.702 -6.789 -6.350 452 HG13 VAL 63 3HG1 VAL 63 -7.605 -6.681 -4.982 453 HG21 VAL 63 3HG2 VAL 63 -6.399 -4.025 -6.271 454 HG22 VAL 63 1HG2 VAL 63 -6.595 -4.245 -4.520 455 HG23 VAL 63 2HG2 VAL 63 -7.382 -2.890 -5.324 456 H SER 64 H SER 64 -11.177 -4.090 -5.454 457 HA SER 64 HA SER 64 -11.430 -1.151 -5.791 458 HB2 SER 64 2HB SER 64 -13.518 -3.226 -5.097 459 HB3 SER 64 1HB SER 64 -13.797 -1.489 -5.186 460 HG SER 64 HG SER 64 -14.257 -2.797 -7.132 461 H LEU 65 H LEU 65 -11.169 0.106 -4.066 462 HA LEU 65 HA LEU 65 -10.834 -1.176 -1.425 463 HB2 LEU 65 2HB LEU 65 -10.207 1.708 -2.054 464 HB3 LEU 65 1HB LEU 65 -9.506 0.650 -0.826 465 HG LEU 65 HG LEU 65 -9.137 0.400 -3.812 466 HD11 LEU 65 1HD1 LEU 65 -6.639 0.709 -2.809 467 HD12 LEU 65 2HD1 LEU 65 -7.531 1.597 -1.585 468 HD13 LEU 65 3HD1 LEU 65 -7.645 2.075 -3.278 469 HD21 LEU 65 3HD2 LEU 65 -8.273 -1.306 -1.473 470 HD22 LEU 65 1HD2 LEU 65 -7.390 -1.325 -3.001 471 HD23 LEU 65 2HD2 LEU 65 -9.080 -1.812 -2.957 472 H ASP 66 H ASP 66 -11.811 -0.230 0.439 473 HA ASP 66 HA ASP 66 -14.427 0.950 -0.142 474 HB2 ASP 66 2HB ASP 66 -13.275 -0.724 1.985 475 HB3 ASP 66 1HB ASP 66 -14.307 0.562 2.616 476 HA PRO 67 HA PRO 67 -13.438 5.004 1.125 477 HB2 PRO 67 2HB PRO 67 -15.646 5.698 2.647 478 HB3 PRO 67 1HB PRO 67 -15.651 5.613 0.876 479 HG2 PRO 67 2HG PRO 67 -16.602 3.597 2.866 480 HG3 PRO 67 1HG PRO 67 -17.341 4.107 1.335 481 HD2 PRO 67 2HD PRO 67 -15.947 1.799 1.540 482 HD3 PRO 67 1HD PRO 67 -15.930 2.768 0.052 483 H THR 68 H THR 68 -15.244 3.982 4.002 484 HA THR 68 HA THR 68 -13.528 5.230 5.829 485 HB THR 68 HB THR 68 -14.699 3.925 7.547 486 HG1 THR 68 1HG THR 68 -14.700 1.975 6.241 487 HG21 THR 68 3HG2 THR 68 -15.880 5.838 6.631 488 HG22 THR 68 1HG2 THR 68 -17.038 4.533 6.887 489 HG23 THR 68 2HG2 THR 68 -16.445 4.880 5.263 490 H LEU 69 H LEU 69 -13.110 2.367 4.064 491 HA LEU 69 HA LEU 69 -11.477 0.942 5.930 492 HB2 LEU 69 2HB LEU 69 -12.668 -0.155 4.069 493 HB3 LEU 69 1HB LEU 69 -11.632 0.677 2.918 494 HG LEU 69 HG LEU 69 -10.448 -0.995 5.151 495 HD11 LEU 69 1HD1 LEU 69 -10.370 -2.896 3.591 496 HD12 LEU 69 2HD1 LEU 69 -11.303 -1.970 2.415 497 HD13 LEU 69 3HD1 LEU 69 -12.035 -2.438 3.949 498 HD21 LEU 69 3HD2 LEU 69 -9.447 0.463 2.782 499 HD22 LEU 69 1HD2 LEU 69 -8.908 -1.206 2.822 500 HD23 LEU 69 2HD2 LEU 69 -8.575 -0.154 4.184 501 H ILE 70 H ILE 70 -10.859 3.232 3.304 502 HA ILE 70 HA ILE 70 -8.083 2.933 3.111 503 HB ILE 70 HB ILE 70 -9.875 5.325 2.661 504 HG12 ILE 70 2HG1 ILE 70 -8.415 3.708 0.565 505 HG13 ILE 70 1HG1 ILE 70 -9.917 3.101 1.234 506 HG21 ILE 70 1HG2 ILE 70 -6.913 4.930 2.187 507 HG22 ILE 70 2HG2 ILE 70 -7.710 6.252 3.044 508 HG23 ILE 70 3HG2 ILE 70 -7.853 6.126 1.291 509 HD11 ILE 70 3HD1 ILE 70 -9.715 5.924 0.191 510 HD12 ILE 70 1HD1 ILE 70 -11.165 4.946 0.447 511 HD13 ILE 70 2HD1 ILE 70 -10.071 4.572 -0.885 512 H TRP 71 H TRP 71 -10.055 4.950 5.255 513 HA TRP 71 HA TRP 71 -7.748 6.131 6.537 514 HB2 TRP 71 2HB TRP 71 -10.709 6.172 7.128 515 HB3 TRP 71 1HB TRP 71 -9.520 6.958 8.168 516 HD1 TRP 71 HD TRP 71 -11.483 7.456 5.056 517 HE1 TRP 71 1HE TRP 71 -10.763 9.639 3.888 518 HE3 TRP 71 3HE TRP 71 -7.235 8.515 7.693 519 HZ2 TRP 71 2HZ TRP 71 -8.662 11.576 4.049 520 HZ3 TRP 71 3HZ TRP 71 -5.899 10.527 7.165 521 HH2 TRP 71 HH TRP 71 -6.607 12.061 5.349 522 H ASP 72 H ASP 72 -9.280 3.144 6.712 523 HA ASP 72 HA ASP 72 -8.899 2.671 9.546 524 HB2 ASP 72 2HB ASP 72 -10.680 1.573 8.115 525 HB3 ASP 72 1HB ASP 72 -9.388 0.606 7.395 526 H HIS 73 H HIS 73 -7.239 1.921 6.520 527 HA HIS 73 HA HIS 73 -4.933 0.885 8.099 528 HB2 HIS 73 2HB HIS 73 -5.576 0.143 5.246 529 HB3 HIS 73 1HB HIS 73 -4.433 -0.627 6.356 530 HD1 HIS 73 1HD HIS 73 -6.510 -0.538 8.820 531 HD2 HIS 73 2HD HIS 73 -7.204 -2.176 5.049 532 HE1 HIS 73 1HE HIS 73 -8.370 -2.233 9.105 533 HE2 HIS 73 2HE HIS 73 -8.804 -3.241 6.817 534 HA PRO 74 HA PRO 74 -3.756 4.648 5.548 535 HB2 PRO 74 2HB PRO 74 -3.052 6.297 7.626 536 HB3 PRO 74 1HB PRO 74 -4.704 6.186 6.992 537 HG2 PRO 74 2HG PRO 74 -3.518 4.918 9.417 538 HG3 PRO 74 1HG PRO 74 -5.111 5.672 9.200 539 HD2 PRO 74 2HD PRO 74 -4.725 2.955 9.148 540 HD3 PRO 74 1HD PRO 74 -6.018 3.785 8.262 541 H THR 75 H THR 75 -2.394 2.411 7.588 542 HA THR 75 HA THR 75 0.366 3.442 7.167 543 HB THR 75 HB THR 75 0.935 1.836 9.050 544 HG1 THR 75 1HG THR 75 -1.834 2.001 9.572 545 HG21 THR 75 3HG2 THR 75 -0.859 4.233 9.461 546 HG22 THR 75 1HG2 THR 75 0.904 4.168 9.538 547 HG23 THR 75 2HG2 THR 75 -0.063 3.405 10.800 548 H ILE 76 H ILE 76 1.970 1.973 6.537 549 HA ILE 76 HA ILE 76 1.194 0.102 4.556 550 HB ILE 76 HB ILE 76 3.858 0.232 5.994 551 HG12 ILE 76 2HG1 ILE 76 3.310 2.466 5.211 552 HG13 ILE 76 1HG1 ILE 76 4.488 1.771 4.095 553 HG21 ILE 76 1HG2 ILE 76 3.649 -1.732 4.593 554 HG22 ILE 76 2HG2 ILE 76 4.671 -0.568 3.744 555 HG23 ILE 76 3HG2 ILE 76 2.986 -0.769 3.281 556 HD11 ILE 76 3HD1 ILE 76 2.896 2.665 2.640 557 HD12 ILE 76 1HD1 ILE 76 1.550 2.220 3.682 558 HD13 ILE 76 2HD1 ILE 76 2.391 0.988 2.751 559 H ASP 77 H ASP 77 2.277 -0.323 7.897 560 HA ASP 77 HA ASP 77 2.481 -3.095 7.975 561 HB2 ASP 77 2HB ASP 77 1.640 -1.037 10.007 562 HB3 ASP 77 1HB ASP 77 1.646 -2.742 10.429 563 H ALA 78 H ALA 78 -0.430 -1.094 8.551 564 HA ALA 78 HA ALA 78 -2.161 -3.346 8.866 565 HB1 ALA 78 1HB ALA 78 -2.696 -0.425 8.300 566 HB2 ALA 78 2HB ALA 78 -2.808 -1.253 9.854 567 HB3 ALA 78 3HB ALA 78 -3.967 -1.615 8.574 568 H LEU 79 H LEU 79 -1.475 -1.110 6.185 569 HA LEU 79 HA LEU 79 -3.317 -2.141 4.380 570 HB2 LEU 79 2HB LEU 79 -1.611 -0.075 4.254 571 HB3 LEU 79 1HB LEU 79 -0.621 -1.227 3.389 572 HG LEU 79 HG LEU 79 -1.941 -0.064 1.749 573 HD11 LEU 79 1HD1 LEU 79 -3.447 -2.646 2.116 574 HD12 LEU 79 2HD1 LEU 79 -1.747 -2.640 1.671 575 HD13 LEU 79 3HD1 LEU 79 -2.917 -1.882 0.623 576 HD21 LEU 79 3HD2 LEU 79 -4.158 0.538 2.047 577 HD22 LEU 79 1HD2 LEU 79 -3.797 0.318 3.752 578 HD23 LEU 79 2HD2 LEU 79 -4.581 -0.969 2.845 579 H SER 80 H SER 80 0.060 -3.063 4.928 580 HA SER 80 HA SER 80 0.241 -5.024 2.916 581 HB2 SER 80 2HB SER 80 2.208 -4.121 4.090 582 HB3 SER 80 1HB SER 80 1.679 -4.903 5.576 583 HG SER 80 HG SER 80 2.686 -6.013 3.206 584 H THR 81 H THR 81 -0.651 -5.256 6.352 585 HA THR 81 HA THR 81 -0.992 -8.040 6.484 586 HB THR 81 HB THR 81 -2.462 -5.851 7.967 587 HG1 THR 81 1HG THR 81 -0.636 -5.708 8.958 588 HG21 THR 81 3HG2 THR 81 -2.762 -7.735 9.664 589 HG22 THR 81 1HG2 THR 81 -2.314 -8.841 8.364 590 HG23 THR 81 2HG2 THR 81 -3.756 -7.838 8.209 591 H ALA 82 H ALA 82 -3.293 -5.476 5.563 592 HA ALA 82 HA ALA 82 -5.489 -7.243 5.179 593 HB1 ALA 82 1HB ALA 82 -6.486 -5.305 3.973 594 HB2 ALA 82 2HB ALA 82 -4.938 -4.466 4.088 595 HB3 ALA 82 3HB ALA 82 -5.842 -4.854 5.551 596 H LEU 83 H LEU 83 -3.000 -5.862 2.999 597 HA LEU 83 HA LEU 83 -4.134 -6.781 0.618 598 HB2 LEU 83 2HB LEU 83 -2.087 -5.145 1.175 599 HB3 LEU 83 1HB LEU 83 -1.144 -6.598 0.891 600 HG LEU 83 HG LEU 83 -3.119 -5.325 -1.021 601 HD11 LEU 83 1HD1 LEU 83 -0.972 -5.335 -2.440 602 HD12 LEU 83 2HD1 LEU 83 -0.116 -5.625 -0.918 603 HD13 LEU 83 3HD1 LEU 83 -1.080 -4.157 -1.135 604 HD21 LEU 83 3HD2 LEU 83 -2.188 -7.188 -2.555 605 HD22 LEU 83 1HD2 LEU 83 -3.386 -7.661 -1.356 606 HD23 LEU 83 2HD2 LEU 83 -1.678 -7.966 -1.073 607 H VAL 84 H VAL 84 -1.547 -8.184 2.633 608 HA VAL 84 HA VAL 84 -1.140 -10.512 1.108 609 HB VAL 84 HB VAL 84 0.357 -9.696 2.936 610 HG11 VAL 84 1HG1 VAL 84 -1.510 -9.229 4.510 611 HG12 VAL 84 2HG1 VAL 84 -0.216 -10.143 5.240 612 HG13 VAL 84 3HG1 VAL 84 -1.709 -10.950 4.765 613 HG21 VAL 84 3HG2 VAL 84 -0.662 -12.537 2.830 614 HG22 VAL 84 1HG2 VAL 84 0.584 -12.098 3.979 615 HG23 VAL 84 2HG2 VAL 84 0.855 -11.879 2.252 616 H ALA 85 H ALA 85 -3.526 -9.686 3.563 617 HA ALA 85 HA ALA 85 -4.524 -12.258 4.101 618 HB1 ALA 85 1HB ALA 85 -6.187 -9.749 3.960 619 HB2 ALA 85 2HB ALA 85 -5.092 -10.094 5.301 620 HB3 ALA 85 3HB ALA 85 -6.455 -11.166 4.971 621 H GLU 86 H GLU 86 -5.099 -10.006 1.448 622 HA GLU 86 HA GLU 86 -7.374 -11.140 0.284 623 HB2 GLU 86 2HB GLU 86 -4.956 -10.071 -1.209 624 HB3 GLU 86 1HB GLU 86 -6.619 -10.148 -1.796 625 HG2 GLU 86 2HG GLU 86 -7.299 -8.605 0.018 626 HG3 GLU 86 1HG GLU 86 -5.649 -8.516 0.546 627 H LEU 87 H LEU 87 -4.201 -12.443 0.596 628 HA LEU 87 HA LEU 87 -4.676 -14.462 -1.485 629 HB2 LEU 87 2HB LEU 87 -2.452 -13.157 -1.209 630 HB3 LEU 87 1HB LEU 87 -2.167 -14.210 0.167 631 HG LEU 87 HG LEU 87 -2.687 -16.167 -1.432 632 HD11 LEU 87 1HD1 LEU 87 -3.638 -15.215 -3.345 633 HD12 LEU 87 2HD1 LEU 87 -1.970 -15.415 -3.854 634 HD13 LEU 87 3HD1 LEU 87 -2.545 -13.836 -3.338 635 HD21 LEU 87 3HD2 LEU 87 -0.437 -15.804 -0.673 636 HD22 LEU 87 1HD2 LEU 87 -0.246 -14.412 -1.737 637 HD23 LEU 87 2HD2 LEU 87 -0.358 -16.034 -2.422 638 H ARG 88 H ARG 88 -4.917 -14.015 1.869 639 HA ARG 88 HA ARG 88 -4.662 -16.896 2.445 640 HB2 ARG 88 2HB ARG 88 -4.948 -14.508 4.272 641 HB3 ARG 88 1HB ARG 88 -4.825 -16.174 4.815 642 HG2 ARG 88 2HG ARG 88 -2.627 -16.388 3.745 643 HG3 ARG 88 1HG ARG 88 -2.749 -14.738 3.135 644 HD2 ARG 88 2HD ARG 88 -1.386 -14.742 5.155 645 HD3 ARG 88 1HD ARG 88 -2.904 -13.914 5.478 646 HE ARG 88 HE ARG 88 -3.530 -15.673 6.896 647 HH11 ARG 88 1HH2 ARG 88 -0.658 -16.391 5.104 648 HH12 ARG 88 2HH2 ARG 88 -0.259 -17.793 6.038 649 HH21 ARG 88 1HH1 ARG 88 -3.015 -17.512 8.125 650 HH22 ARG 88 2HH1 ARG 88 -1.594 -18.429 7.748 651 H SER 89 H SER 89 -6.996 -14.726 1.501 652 HA SER 89 HA SER 89 -9.191 -15.333 3.155 653 HB2 SER 89 2HB SER 89 -10.569 -14.578 1.244 654 HB3 SER 89 1HB SER 89 -9.230 -13.479 1.560 655 HG SER 89 HG SER 89 -9.797 -14.710 -0.687 656 H ALA 90 H ALA 90 -8.496 -16.643 -0.104 657 HA ALA 90 HA ALA 90 -8.941 -19.341 0.614 658 HB1 ALA 90 1HB ALA 90 -11.257 -18.736 0.918 659 HB2 ALA 90 2HB ALA 90 -11.123 -19.653 -0.580 660 HB3 ALA 90 3HB ALA 90 -11.289 -17.897 -0.633 Start of MODEL 25 1 H1 GLY 1 1HT GLY 1 -10.475 -18.488 -2.708 2 H2 GLY 1 2HT GLY 1 -10.302 -16.897 -2.134 3 H3 GLY 1 3HT GLY 1 -9.479 -18.175 -1.371 4 HA2 GLY 1 2HA GLY 1 -8.420 -16.547 -3.248 5 HA3 GLY 1 1HA GLY 1 -7.801 -18.143 -2.819 6 H HIS 2 H HIS 2 -9.200 -16.244 -5.268 7 HA HIS 2 HA HIS 2 -9.210 -18.550 -7.098 8 HB2 HIS 2 2HB HIS 2 -11.365 -17.638 -8.098 9 HB3 HIS 2 1HB HIS 2 -11.521 -18.453 -6.543 10 HD1 HIS 2 1HD HIS 2 -10.646 -16.256 -4.621 11 HD2 HIS 2 2HD HIS 2 -13.179 -15.551 -7.855 12 HE1 HIS 2 1HE HIS 2 -11.935 -14.144 -4.075 13 HE2 HIS 2 2HE HIS 2 -13.483 -13.702 -6.037 14 H MET 3 H MET 3 -8.467 -15.346 -6.382 15 HA MET 3 HA MET 3 -7.517 -14.909 -9.135 16 HB2 MET 3 2HB MET 3 -9.294 -13.004 -7.599 17 HB3 MET 3 1HB MET 3 -8.355 -12.541 -9.019 18 HG2 MET 3 2HG MET 3 -9.501 -14.299 -10.337 19 HG3 MET 3 1HG MET 3 -10.467 -14.716 -8.922 20 HE1 MET 3 3HE MET 3 -12.027 -14.001 -11.563 21 HE2 MET 3 1HE MET 3 -13.293 -13.088 -10.730 22 HE3 MET 3 2HE MET 3 -12.574 -14.505 -9.967 23 H SER 4 H SER 4 -5.411 -15.154 -8.442 24 HA SER 4 HA SER 4 -4.397 -13.699 -6.172 25 HB2 SER 4 2HB SER 4 -2.933 -15.218 -8.330 26 HB3 SER 4 1HB SER 4 -2.218 -14.591 -6.846 27 HG SER 4 HG SER 4 -3.026 -16.876 -6.918 28 H ASP 5 H ASP 5 -3.067 -13.710 -9.458 29 HA ASP 5 HA ASP 5 -3.291 -11.545 -10.755 30 HB2 ASP 5 2HB ASP 5 -3.717 -10.109 -8.846 31 HB3 ASP 5 1HB ASP 5 -2.143 -10.509 -8.150 32 H LEU 6 H LEU 6 -0.909 -13.115 -8.764 33 HA LEU 6 HA LEU 6 1.220 -12.361 -10.673 34 HB2 LEU 6 2HB LEU 6 1.589 -11.856 -8.239 35 HB3 LEU 6 1HB LEU 6 1.531 -13.582 -7.937 36 HG LEU 6 HG LEU 6 3.415 -13.888 -9.572 37 HD11 LEU 6 1HD1 LEU 6 3.472 -12.091 -11.018 38 HD12 LEU 6 2HD1 LEU 6 4.682 -11.545 -9.867 39 HD13 LEU 6 3HD1 LEU 6 3.036 -10.920 -9.774 40 HD21 LEU 6 3HD2 LEU 6 3.861 -13.750 -7.158 41 HD22 LEU 6 1HD2 LEU 6 3.935 -11.989 -7.262 42 HD23 LEU 6 2HD2 LEU 6 5.154 -12.973 -8.073 43 H SER 7 H SER 7 1.842 -15.053 -8.677 44 HA SER 7 HA SER 7 0.789 -17.253 -9.820 45 HB2 SER 7 2HB SER 7 2.738 -15.962 -11.653 46 HB3 SER 7 1HB SER 7 2.827 -17.714 -11.520 47 HG SER 7 HG SER 7 1.336 -16.896 -13.138 48 H THR 8 H THR 8 4.066 -15.936 -9.344 49 HA THR 8 HA THR 8 5.137 -18.357 -8.342 50 HB THR 8 HB THR 8 6.334 -15.680 -7.677 51 HG1 THR 8 1HG THR 8 6.581 -15.206 -9.697 52 HG21 THR 8 3HG2 THR 8 8.406 -16.855 -8.018 53 HG22 THR 8 1HG2 THR 8 7.572 -18.223 -8.757 54 HG23 THR 8 2HG2 THR 8 7.376 -17.897 -7.035 55 H ALA 9 H ALA 9 2.728 -16.834 -7.064 56 HA ALA 9 HA ALA 9 1.819 -16.780 -4.946 57 HB1 ALA 9 1HB ALA 9 3.081 -19.004 -4.870 58 HB2 ALA 9 2HB ALA 9 2.584 -18.269 -3.343 59 HB3 ALA 9 3HB ALA 9 4.262 -18.147 -3.882 60 HA PRO 10 HA PRO 10 4.385 -13.006 -4.163 61 HB2 PRO 10 2HB PRO 10 1.721 -12.155 -3.087 62 HB3 PRO 10 1HB PRO 10 2.812 -11.302 -4.200 63 HG2 PRO 10 2HG PRO 10 0.565 -12.446 -5.060 64 HG3 PRO 10 1HG PRO 10 2.045 -12.442 -6.028 65 HD2 PRO 10 2HD PRO 10 0.840 -14.683 -4.460 66 HD3 PRO 10 1HD PRO 10 1.709 -14.735 -6.003 67 H THR 11 H THR 11 5.513 -12.660 -2.317 68 HA THR 11 HA THR 11 4.558 -13.887 0.185 69 HB THR 11 HB THR 11 6.774 -14.552 -0.599 70 HG1 THR 11 1HG THR 11 6.520 -13.012 1.693 71 HG21 THR 11 3HG2 THR 11 8.565 -13.010 -0.851 72 HG22 THR 11 1HG2 THR 11 7.604 -11.712 -0.141 73 HG23 THR 11 2HG2 THR 11 7.198 -12.333 -1.739 74 H LEU 12 H LEU 12 4.695 -12.760 2.134 75 HA LEU 12 HA LEU 12 3.574 -10.255 2.215 76 HB2 LEU 12 2HB LEU 12 5.379 -11.663 4.186 77 HB3 LEU 12 1HB LEU 12 4.697 -10.079 4.545 78 HG LEU 12 HG LEU 12 2.421 -11.000 4.109 79 HD11 LEU 12 1HD1 LEU 12 2.759 -12.840 2.667 80 HD12 LEU 12 2HD1 LEU 12 2.377 -13.615 4.205 81 HD13 LEU 12 3HD1 LEU 12 4.050 -13.510 3.664 82 HD21 LEU 12 3HD2 LEU 12 4.017 -12.538 6.182 83 HD22 LEU 12 1HD2 LEU 12 2.274 -12.275 6.201 84 HD23 LEU 12 2HD2 LEU 12 3.373 -10.912 6.405 85 H ASP 13 H ASP 13 6.930 -11.105 1.767 86 HA ASP 13 HA ASP 13 7.979 -8.491 2.285 87 HB2 ASP 13 2HB ASP 13 9.423 -10.310 0.411 88 HB3 ASP 13 1HB ASP 13 10.030 -9.405 1.791 89 H SER 14 H SER 14 6.857 -10.184 -0.628 90 HA SER 14 HA SER 14 7.767 -8.252 -2.484 91 HB2 SER 14 2HB SER 14 6.183 -9.310 -4.006 92 HB3 SER 14 1HB SER 14 7.211 -10.481 -3.192 93 HG SER 14 HG SER 14 4.961 -11.065 -3.185 94 H LEU 15 H LEU 15 4.741 -8.645 -0.676 95 HA LEU 15 HA LEU 15 3.439 -6.469 -1.976 96 HB2 LEU 15 2HB LEU 15 2.867 -8.083 0.505 97 HB3 LEU 15 1HB LEU 15 1.857 -6.701 0.085 98 HG LEU 15 HG LEU 15 1.216 -7.688 -1.983 99 HD11 LEU 15 1HD1 LEU 15 3.254 -8.635 -2.808 100 HD12 LEU 15 2HD1 LEU 15 2.143 -9.975 -2.581 101 HD13 LEU 15 3HD1 LEU 15 3.395 -9.678 -1.394 102 HD21 LEU 15 3HD2 LEU 15 1.337 -9.936 0.034 103 HD22 LEU 15 1HD2 LEU 15 0.136 -9.713 -1.235 104 HD23 LEU 15 2HD2 LEU 15 0.200 -8.599 0.139 105 H ARG 16 H ARG 16 4.385 -6.825 1.419 106 HA ARG 16 HA ARG 16 4.200 -4.320 2.371 107 HB2 ARG 16 2HB ARG 16 5.140 -6.108 3.714 108 HB3 ARG 16 1HB ARG 16 6.586 -6.141 2.707 109 HG2 ARG 16 2HG ARG 16 5.943 -3.458 3.852 110 HG3 ARG 16 1HG ARG 16 6.371 -4.678 5.047 111 HD2 ARG 16 2HD ARG 16 8.435 -5.182 3.685 112 HD3 ARG 16 1HD ARG 16 8.036 -3.815 2.665 113 HE ARG 16 HE ARG 16 8.729 -2.394 4.345 114 HH11 ARG 16 1HH2 ARG 16 8.287 -5.623 5.513 115 HH12 ARG 16 2HH2 ARG 16 9.008 -5.309 7.057 116 HH21 ARG 16 1HH1 ARG 16 9.674 -1.977 6.362 117 HH22 ARG 16 2HH1 ARG 16 9.793 -3.244 7.537 118 H VAL 17 H VAL 17 7.057 -5.445 0.517 119 HA VAL 17 HA VAL 17 8.371 -2.954 0.414 120 HB VAL 17 HB VAL 17 9.673 -3.929 -1.410 121 HG11 VAL 17 1HG1 VAL 17 10.515 -4.754 0.602 122 HG12 VAL 17 2HG1 VAL 17 10.067 -6.284 -0.164 123 HG13 VAL 17 3HG1 VAL 17 9.010 -5.552 1.046 124 HG21 VAL 17 3HG2 VAL 17 8.934 -6.367 -2.010 125 HG22 VAL 17 1HG2 VAL 17 8.117 -5.012 -2.794 126 HG23 VAL 17 2HG2 VAL 17 7.385 -5.810 -1.423 127 H TRP 18 H TRP 18 5.932 -4.443 -1.674 128 HA TRP 18 HA TRP 18 6.055 -2.596 -3.798 129 HB2 TRP 18 2HB TRP 18 4.369 -3.910 -4.603 130 HB3 TRP 18 1HB TRP 18 4.454 -4.794 -3.093 131 HD1 TRP 18 HD TRP 18 2.395 -4.559 -1.460 132 HE1 TRP 18 1HE TRP 18 0.282 -3.213 -1.437 133 HE3 TRP 18 3HE TRP 18 3.297 -1.475 -5.430 134 HZ2 TRP 18 2HZ TRP 18 -0.927 -1.099 -2.887 135 HZ3 TRP 18 3HZ TRP 18 1.617 0.178 -6.086 136 HH2 TRP 18 HH TRP 18 -0.499 0.352 -4.797 137 H LEU 19 H LEU 19 4.004 -2.579 -0.881 138 HA LEU 19 HA LEU 19 2.587 -0.232 -1.428 139 HB2 LEU 19 2HB LEU 19 3.180 -1.917 0.911 140 HB3 LEU 19 1HB LEU 19 2.933 -0.236 1.357 141 HG LEU 19 HG LEU 19 0.915 -1.331 -0.564 142 HD11 LEU 19 1HD1 LEU 19 0.984 -2.230 2.297 143 HD12 LEU 19 2HD1 LEU 19 1.224 -3.252 0.880 144 HD13 LEU 19 3HD1 LEU 19 -0.327 -2.469 1.147 145 HD21 LEU 19 3HD2 LEU 19 1.045 0.978 0.630 146 HD22 LEU 19 1HD2 LEU 19 0.428 0.103 2.029 147 HD23 LEU 19 2HD2 LEU 19 -0.497 0.149 0.530 148 H VAL 20 H VAL 20 5.464 -0.523 0.712 149 HA VAL 20 HA VAL 20 5.787 2.234 1.060 150 HB VAL 20 HB VAL 20 6.948 0.634 2.459 151 HG11 VAL 20 1HG1 VAL 20 8.538 -0.930 1.653 152 HG12 VAL 20 2HG1 VAL 20 8.670 -0.124 0.092 153 HG13 VAL 20 3HG1 VAL 20 7.210 -1.009 0.509 154 HG21 VAL 20 3HG2 VAL 20 9.056 1.995 0.776 155 HG22 VAL 20 1HG2 VAL 20 9.113 1.653 2.504 156 HG23 VAL 20 2HG2 VAL 20 8.016 2.887 1.883 157 H ASP 21 H ASP 21 7.337 0.060 -1.313 158 HA ASP 21 HA ASP 21 8.885 2.001 -2.592 159 HB2 ASP 21 2HB ASP 21 9.007 -0.499 -2.930 160 HB3 ASP 21 1HB ASP 21 7.560 -0.373 -3.928 161 H CYS 22 H CYS 22 5.498 1.195 -2.908 162 HA CYS 22 HA CYS 22 4.966 2.568 -5.330 163 HB2 CYS 22 2HB CYS 22 3.428 0.929 -4.152 164 HB3 CYS 22 1HB CYS 22 3.017 2.237 -3.047 165 HG CYS 22 HG CYS 22 2.282 2.121 -6.055 166 H VAL 23 H VAL 23 4.703 3.571 -1.918 167 HA VAL 23 HA VAL 23 3.785 6.200 -2.459 168 HB VAL 23 HB VAL 23 5.436 5.258 -0.138 169 HG11 VAL 23 1HG1 VAL 23 4.836 7.217 0.957 170 HG12 VAL 23 2HG1 VAL 23 3.300 7.352 0.113 171 HG13 VAL 23 3HG1 VAL 23 4.786 7.844 -0.679 172 HG21 VAL 23 3HG2 VAL 23 2.464 5.139 -0.658 173 HG22 VAL 23 1HG2 VAL 23 3.166 4.964 0.957 174 HG23 VAL 23 2HG2 VAL 23 3.548 3.793 -0.314 175 H ALA 24 H ALA 24 7.091 4.952 -1.765 176 HA ALA 24 HA ALA 24 8.532 7.284 -1.870 177 HB1 ALA 24 1HB ALA 24 10.432 5.959 -2.322 178 HB2 ALA 24 2HB ALA 24 9.493 4.774 -3.233 179 HB3 ALA 24 3HB ALA 24 9.330 4.869 -1.481 180 H GLY 25 H GLY 25 7.753 5.176 -4.637 181 HA2 GLY 25 2HA GLY 25 8.862 6.877 -6.612 182 HA3 GLY 25 1HA GLY 25 7.651 5.632 -6.904 183 H HIS 26 H HIS 26 5.551 6.590 -5.322 184 HA HIS 26 HA HIS 26 4.257 8.354 -7.038 185 HB2 HIS 26 2HB HIS 26 2.948 7.091 -5.498 186 HB3 HIS 26 1HB HIS 26 3.823 7.721 -4.128 187 HD1 HIS 26 1HD HIS 26 2.366 9.714 -6.999 188 HD2 HIS 26 2HD HIS 26 1.881 9.249 -2.884 189 HE1 HIS 26 1HE HIS 26 0.737 11.510 -6.270 190 HE2 HIS 26 2HE HIS 26 0.430 11.239 -3.762 191 H LEU 27 H LEU 27 5.717 9.107 -3.839 192 HA LEU 27 HA LEU 27 5.428 11.952 -4.323 193 HB2 LEU 27 2HB LEU 27 6.573 10.281 -2.106 194 HB3 LEU 27 1HB LEU 27 6.688 12.044 -2.098 195 HG LEU 27 HG LEU 27 4.075 10.544 -2.413 196 HD11 LEU 27 1HD1 LEU 27 5.178 11.785 0.124 197 HD12 LEU 27 2HD1 LEU 27 5.212 10.057 -0.212 198 HD13 LEU 27 3HD1 LEU 27 3.668 10.896 -0.050 199 HD21 LEU 27 3HD2 LEU 27 4.875 13.434 -2.058 200 HD22 LEU 27 1HD2 LEU 27 3.328 12.890 -1.411 201 HD23 LEU 27 2HD2 LEU 27 3.664 12.733 -3.128 202 H GLY 28 H GLY 28 7.985 9.560 -4.381 203 HA2 GLY 28 2HA GLY 28 9.856 9.750 -5.834 204 HA3 GLY 28 1HA GLY 28 9.737 11.500 -5.734 205 H LEU 29 H LEU 29 9.243 10.610 -2.660 206 HA LEU 29 HA LEU 29 11.853 11.352 -1.797 207 HB2 LEU 29 2HB LEU 29 9.637 10.095 -0.181 208 HB3 LEU 29 1HB LEU 29 11.003 11.003 0.445 209 HG LEU 29 HG LEU 29 8.873 12.094 -1.401 210 HD11 LEU 29 1HD1 LEU 29 8.363 13.500 0.685 211 HD12 LEU 29 2HD1 LEU 29 9.327 12.321 1.575 212 HD13 LEU 29 3HD1 LEU 29 7.862 11.808 0.733 213 HD21 LEU 29 3HD2 LEU 29 10.771 13.394 -1.856 214 HD22 LEU 29 1HD2 LEU 29 11.399 13.232 -0.215 215 HD23 LEU 29 2HD2 LEU 29 10.033 14.301 -0.540 216 H ASP 30 H ASP 30 12.661 9.827 0.174 217 HA ASP 30 HA ASP 30 13.606 7.423 -1.179 218 HB2 ASP 30 2HB ASP 30 15.195 8.792 0.067 219 HB3 ASP 30 1HB ASP 30 14.274 8.547 1.542 220 H ALA 31 H ALA 31 12.871 5.413 -0.854 221 HA ALA 31 HA ALA 31 10.530 4.863 0.554 222 HB1 ALA 31 1HB ALA 31 11.093 3.380 -1.164 223 HB2 ALA 31 2HB ALA 31 11.283 2.454 0.321 224 HB3 ALA 31 3HB ALA 31 12.703 3.102 -0.501 225 H ALA 32 H ALA 32 13.905 4.621 1.528 226 HA ALA 32 HA ALA 32 13.530 3.115 3.866 227 HB1 ALA 32 1HB ALA 32 15.733 3.424 2.918 228 HB2 ALA 32 2HB ALA 32 15.718 4.089 4.550 229 HB3 ALA 32 3HB ALA 32 15.634 5.168 3.159 230 H THR 33 H THR 33 12.777 6.385 3.141 231 HA THR 33 HA THR 33 12.058 6.839 5.979 232 HB THR 33 HB THR 33 12.668 9.313 5.405 233 HG1 THR 33 1HG THR 33 13.718 7.842 3.314 234 HG21 THR 33 3HG2 THR 33 15.069 8.843 6.063 235 HG22 THR 33 1HG2 THR 33 14.714 7.124 5.883 236 HG23 THR 33 2HG2 THR 33 13.870 8.076 7.103 237 H ILE 34 H ILE 34 10.321 5.854 4.022 238 HA ILE 34 HA ILE 34 8.813 8.110 2.997 239 HB ILE 34 HB ILE 34 8.633 5.132 2.881 240 HG12 ILE 34 2HG1 ILE 34 9.552 6.705 1.106 241 HG13 ILE 34 1HG1 ILE 34 8.338 5.553 0.536 242 HG21 ILE 34 1HG2 ILE 34 6.381 5.371 3.607 243 HG22 ILE 34 2HG2 ILE 34 6.272 5.412 1.873 244 HG23 ILE 34 3HG2 ILE 34 6.196 6.914 2.784 245 HD11 ILE 34 3HD1 ILE 34 7.140 8.080 1.468 246 HD12 ILE 34 1HD1 ILE 34 6.954 7.229 -0.062 247 HD13 ILE 34 2HD1 ILE 34 8.310 8.310 0.189 248 H ALA 35 H ALA 35 7.627 5.439 5.009 249 HA ALA 35 HA ALA 35 6.923 6.756 7.304 250 HB1 ALA 35 1HB ALA 35 5.013 7.284 5.038 251 HB2 ALA 35 2HB ALA 35 5.529 8.362 6.340 252 HB3 ALA 35 3HB ALA 35 4.363 7.089 6.668 253 H THR 36 H THR 36 7.332 4.077 5.765 254 HA THR 36 HA THR 36 5.320 2.328 5.796 255 HB THR 36 HB THR 36 6.882 0.615 6.457 256 HG1 THR 36 1HG THR 36 7.639 2.413 8.195 257 HG21 THR 36 3HG2 THR 36 8.580 2.811 5.262 258 HG22 THR 36 1HG2 THR 36 7.334 1.973 4.338 259 HG23 THR 36 2HG2 THR 36 8.704 1.072 4.989 260 H ASP 37 H ASP 37 6.774 3.744 8.735 261 HA ASP 37 HA ASP 37 4.896 2.231 10.410 262 HB2 ASP 37 2HB ASP 37 6.226 3.240 12.259 263 HB3 ASP 37 1HB ASP 37 7.198 2.265 11.158 264 H LEU 38 H LEU 38 5.288 5.295 8.927 265 HA LEU 38 HA LEU 38 3.458 6.581 10.827 266 HB2 LEU 38 2HB LEU 38 5.324 7.597 8.713 267 HB3 LEU 38 1HB LEU 38 4.019 8.628 9.261 268 HG LEU 38 HG LEU 38 5.806 7.255 11.277 269 HD11 LEU 38 1HD1 LEU 38 7.317 8.349 9.678 270 HD12 LEU 38 2HD1 LEU 38 7.312 9.197 11.226 271 HD13 LEU 38 3HD1 LEU 38 6.418 9.857 9.853 272 HD21 LEU 38 3HD2 LEU 38 3.914 8.380 12.218 273 HD22 LEU 38 1HD2 LEU 38 4.147 9.789 11.185 274 HD23 LEU 38 2HD2 LEU 38 5.289 9.446 12.482 275 HA PRO 39 HA PRO 39 -0.014 6.193 8.149 276 HB2 PRO 39 2HB PRO 39 -1.307 8.598 8.629 277 HB3 PRO 39 1HB PRO 39 -1.317 7.228 9.756 278 HG2 PRO 39 2HG PRO 39 0.377 9.689 9.789 279 HG3 PRO 39 1HG PRO 39 -0.416 8.850 11.137 280 HD2 PRO 39 2HD PRO 39 2.215 8.562 10.632 281 HD3 PRO 39 1HD PRO 39 1.241 7.233 11.281 282 H LEU 40 H LEU 40 -1.238 7.465 6.414 283 HA LEU 40 HA LEU 40 0.635 8.365 4.445 284 HB2 LEU 40 2HB LEU 40 -1.231 8.485 2.951 285 HB3 LEU 40 1HB LEU 40 -1.483 7.066 3.963 286 HG LEU 40 HG LEU 40 -2.745 9.777 4.491 287 HD11 LEU 40 1HD1 LEU 40 -4.222 7.342 3.590 288 HD12 LEU 40 2HD1 LEU 40 -3.484 8.420 2.408 289 HD13 LEU 40 3HD1 LEU 40 -4.703 9.035 3.524 290 HD21 LEU 40 3HD2 LEU 40 -2.604 8.670 6.558 291 HD22 LEU 40 1HD2 LEU 40 -2.869 7.087 5.832 292 HD23 LEU 40 2HD2 LEU 40 -4.199 8.234 5.972 293 H THR 41 H THR 41 -1.368 9.899 6.798 294 HA THR 41 HA THR 41 -1.802 12.402 5.702 295 HB THR 41 HB THR 41 -1.722 13.221 8.089 296 HG1 THR 41 1HG THR 41 -0.697 12.026 9.449 297 HG21 THR 41 3HG2 THR 41 -3.648 11.850 8.804 298 HG22 THR 41 1HG2 THR 41 -3.271 10.675 7.545 299 HG23 THR 41 2HG2 THR 41 -3.780 12.304 7.104 300 H SER 42 H SER 42 1.142 11.051 7.145 301 HA SER 42 HA SER 42 2.671 13.244 7.603 302 HB2 SER 42 2HB SER 42 4.612 11.804 6.824 303 HB3 SER 42 1HB SER 42 3.561 11.042 8.020 304 HG SER 42 HG SER 42 2.640 9.840 6.423 305 H TYR 43 H TYR 43 1.760 11.908 4.468 306 HA TYR 43 HA TYR 43 3.571 13.497 2.931 307 HB2 TYR 43 2HB TYR 43 0.962 12.334 1.976 308 HB3 TYR 43 1HB TYR 43 2.401 12.647 1.037 309 HD1 TYR 43 2HD TYR 43 4.547 11.550 2.769 310 HD2 TYR 43 1HD TYR 43 0.638 10.001 1.863 311 HE1 TYR 43 2HE TYR 43 5.343 9.282 3.247 312 HE2 TYR 43 1HE TYR 43 1.468 7.711 2.343 313 HH TYR 43 HH TYR 43 3.375 6.719 3.801 314 H GLY 44 H GLY 44 0.962 14.373 4.741 315 HA2 GLY 44 2HA GLY 44 -0.245 16.319 4.911 316 HA3 GLY 44 1HA GLY 44 0.997 17.048 3.897 317 H LEU 45 H LEU 45 -0.807 14.294 2.756 318 HA LEU 45 HA LEU 45 -1.763 15.784 0.503 319 HB2 LEU 45 2HB LEU 45 -2.486 13.709 -0.335 320 HB3 LEU 45 1HB LEU 45 -1.015 13.335 0.545 321 HG LEU 45 HG LEU 45 -3.849 12.961 1.604 322 HD11 LEU 45 1HD1 LEU 45 -1.758 11.061 0.578 323 HD12 LEU 45 2HD1 LEU 45 -3.437 11.230 0.070 324 HD13 LEU 45 3HD1 LEU 45 -3.062 10.555 1.648 325 HD21 LEU 45 3HD2 LEU 45 -1.111 12.574 2.819 326 HD22 LEU 45 1HD2 LEU 45 -2.531 11.772 3.455 327 HD23 LEU 45 2HD2 LEU 45 -2.433 13.518 3.471 328 H ASP 46 H ASP 46 -3.813 16.436 0.036 329 HA ASP 46 HA ASP 46 -5.606 16.910 2.209 330 HB2 ASP 46 2HB ASP 46 -5.932 17.203 -0.780 331 HB3 ASP 46 1HB ASP 46 -7.151 17.705 0.390 332 H SER 47 H SER 47 -8.025 16.318 1.925 333 HA SER 47 HA SER 47 -8.261 13.497 2.121 334 HB2 SER 47 2HB SER 47 -10.684 13.954 2.310 335 HB3 SER 47 1HB SER 47 -9.733 14.999 3.360 336 HG SER 47 HG SER 47 -11.114 16.335 2.307 337 H VAL 48 H VAL 48 -8.872 15.806 -0.452 338 HA VAL 48 HA VAL 48 -10.284 14.032 -2.174 339 HB VAL 48 HB VAL 48 -8.687 16.523 -2.816 340 HG11 VAL 48 1HG1 VAL 48 -10.647 14.866 -4.425 341 HG12 VAL 48 2HG1 VAL 48 -8.973 15.241 -4.834 342 HG13 VAL 48 3HG1 VAL 48 -10.194 16.514 -4.858 343 HG21 VAL 48 3HG2 VAL 48 -11.676 16.135 -2.478 344 HG22 VAL 48 1HG2 VAL 48 -10.826 17.661 -2.728 345 HG23 VAL 48 2HG2 VAL 48 -10.621 16.773 -1.218 346 H TYR 49 H TYR 49 -6.957 14.488 -1.411 347 HA TYR 49 HA TYR 49 -5.817 13.452 -3.789 348 HB2 TYR 49 2HB TYR 49 -4.827 14.536 -1.433 349 HB3 TYR 49 1HB TYR 49 -4.340 12.849 -1.297 350 HD1 TYR 49 1HD TYR 49 -4.547 15.465 -3.981 351 HD2 TYR 49 2HD TYR 49 -2.228 12.340 -2.172 352 HE1 TYR 49 1HE TYR 49 -2.725 15.876 -5.607 353 HE2 TYR 49 2HE TYR 49 -0.409 12.763 -3.767 354 HH TYR 49 HH TYR 49 -0.343 15.519 -5.818 355 H ALA 50 H ALA 50 -6.622 11.892 -0.691 356 HA ALA 50 HA ALA 50 -5.710 9.351 -1.102 357 HB1 ALA 50 1HB ALA 50 -6.933 10.186 0.931 358 HB2 ALA 50 2HB ALA 50 -7.435 8.581 0.398 359 HB3 ALA 50 3HB ALA 50 -8.440 9.985 0.039 360 H LEU 51 H LEU 51 -8.550 10.857 -2.519 361 HA LEU 51 HA LEU 51 -9.729 8.544 -3.610 362 HB2 LEU 51 2HB LEU 51 -10.937 10.636 -3.501 363 HB3 LEU 51 1HB LEU 51 -9.766 11.411 -4.562 364 HG LEU 51 HG LEU 51 -10.944 8.926 -5.699 365 HD11 LEU 51 1HD1 LEU 51 -12.906 9.841 -4.517 366 HD12 LEU 51 2HD1 LEU 51 -13.089 9.964 -6.268 367 HD13 LEU 51 3HD1 LEU 51 -12.664 11.390 -5.321 368 HD21 LEU 51 3HD2 LEU 51 -10.829 10.159 -7.720 369 HD22 LEU 51 1HD2 LEU 51 -9.439 10.747 -6.805 370 HD23 LEU 51 2HD2 LEU 51 -10.911 11.709 -6.884 371 H SER 52 H SER 52 -7.428 10.864 -5.046 372 HA SER 52 HA SER 52 -7.217 9.490 -7.526 373 HB2 SER 52 2HB SER 52 -6.629 11.887 -7.181 374 HB3 SER 52 1HB SER 52 -5.226 11.372 -6.226 375 HG SER 52 HG SER 52 -4.250 11.146 -8.074 376 H ILE 53 H ILE 53 -5.082 9.639 -4.670 377 HA ILE 53 HA ILE 53 -3.137 7.834 -5.648 378 HB ILE 53 HB ILE 53 -3.901 8.259 -2.751 379 HG12 ILE 53 2HG1 ILE 53 -3.649 10.445 -3.821 380 HG13 ILE 53 1HG1 ILE 53 -2.222 10.112 -2.830 381 HG21 ILE 53 1HG2 ILE 53 -1.314 7.525 -4.149 382 HG22 ILE 53 2HG2 ILE 53 -2.290 6.460 -3.137 383 HG23 ILE 53 3HG2 ILE 53 -1.462 7.846 -2.422 384 HD11 ILE 53 3HD1 ILE 53 -2.507 10.060 -5.824 385 HD12 ILE 53 1HD1 ILE 53 -1.204 9.168 -5.044 386 HD13 ILE 53 2HD1 ILE 53 -1.322 10.911 -4.846 387 H ALA 54 H ALA 54 -5.725 7.240 -3.262 388 HA ALA 54 HA ALA 54 -5.417 4.525 -2.953 389 HB1 ALA 54 1HB ALA 54 -8.080 5.948 -3.156 390 HB2 ALA 54 2HB ALA 54 -7.060 5.937 -1.716 391 HB3 ALA 54 3HB ALA 54 -7.759 4.434 -2.313 392 H ALA 55 H ALA 55 -7.069 6.260 -5.564 393 HA ALA 55 HA ALA 55 -8.114 3.942 -6.856 394 HB1 ALA 55 1HB ALA 55 -9.007 6.169 -7.307 395 HB2 ALA 55 2HB ALA 55 -8.403 5.446 -8.798 396 HB3 ALA 55 3HB ALA 55 -7.453 6.678 -7.966 397 H GLU 56 H GLU 56 -5.075 5.729 -7.118 398 HA GLU 56 HA GLU 56 -4.122 4.359 -9.431 399 HB2 GLU 56 2HB GLU 56 -3.273 6.570 -8.530 400 HB3 GLU 56 1HB GLU 56 -2.438 5.649 -7.278 401 HG2 GLU 56 2HG GLU 56 -0.856 5.990 -9.052 402 HG3 GLU 56 1HG GLU 56 -1.355 4.301 -9.130 403 H LEU 57 H LEU 57 -3.464 3.949 -5.947 404 HA LEU 57 HA LEU 57 -1.639 1.812 -6.134 405 HB2 LEU 57 2HB LEU 57 -3.745 2.255 -3.982 406 HB3 LEU 57 1HB LEU 57 -2.245 1.363 -3.802 407 HG LEU 57 HG LEU 57 -2.403 4.295 -4.499 408 HD11 LEU 57 1HD1 LEU 57 -3.178 4.117 -2.256 409 HD12 LEU 57 2HD1 LEU 57 -1.468 4.526 -2.123 410 HD13 LEU 57 3HD1 LEU 57 -1.997 2.862 -1.878 411 HD21 LEU 57 3HD2 LEU 57 -0.135 2.410 -3.922 412 HD22 LEU 57 1HD2 LEU 57 0.047 4.147 -3.726 413 HD23 LEU 57 2HD2 LEU 57 -0.341 3.482 -5.306 414 H GLU 58 H GLU 58 -5.132 1.650 -5.521 415 HA GLU 58 HA GLU 58 -5.310 -1.179 -5.706 416 HB2 GLU 58 2HB GLU 58 -7.707 -0.843 -6.027 417 HB3 GLU 58 1HB GLU 58 -7.071 0.131 -4.728 418 HG2 GLU 58 2HG GLU 58 -8.270 1.784 -5.803 419 HG3 GLU 58 1HG GLU 58 -6.765 1.917 -6.699 420 H ASP 59 H ASP 59 -5.505 1.345 -8.159 421 HA ASP 59 HA ASP 59 -6.421 -0.233 -10.308 422 HB2 ASP 59 2HB ASP 59 -6.402 2.154 -10.526 423 HB3 ASP 59 1HB ASP 59 -4.661 2.226 -10.250 424 H HIS 60 H HIS 60 -3.200 0.312 -8.987 425 HA HIS 60 HA HIS 60 -1.728 -0.940 -11.042 426 HB2 HIS 60 2HB HIS 60 -1.265 -0.218 -8.164 427 HB3 HIS 60 1HB HIS 60 -0.197 -1.452 -8.801 428 HD1 HIS 60 1HD HIS 60 0.646 -0.657 -11.481 429 HD2 HIS 60 2HD HIS 60 -0.179 2.309 -8.668 430 HE1 HIS 60 1HE HIS 60 1.815 1.438 -12.289 431 HE2 HIS 60 2HE HIS 60 1.323 3.255 -10.585 432 H LEU 61 H LEU 61 -3.104 -2.215 -8.025 433 HA LEU 61 HA LEU 61 -2.147 -4.870 -8.549 434 HB2 LEU 61 2HB LEU 61 -4.268 -4.246 -6.499 435 HB3 LEU 61 1HB LEU 61 -2.961 -5.433 -6.450 436 HG LEU 61 HG LEU 61 -2.663 -2.440 -6.303 437 HD11 LEU 61 1HD1 LEU 61 -1.856 -4.505 -4.317 438 HD12 LEU 61 2HD1 LEU 61 -3.431 -3.709 -4.290 439 HD13 LEU 61 3HD1 LEU 61 -1.953 -2.757 -4.135 440 HD21 LEU 61 3HD2 LEU 61 -0.206 -3.142 -5.805 441 HD22 LEU 61 1HD2 LEU 61 -0.741 -3.101 -7.482 442 HD23 LEU 61 2HD2 LEU 61 -0.641 -4.639 -6.632 443 H ASP 62 H ASP 62 -5.275 -3.181 -8.798 444 HA ASP 62 HA ASP 62 -6.919 -3.717 -10.389 445 HB2 ASP 62 2HB ASP 62 -5.990 -6.583 -10.150 446 HB3 ASP 62 1HB ASP 62 -7.141 -5.923 -11.277 447 H VAL 63 H VAL 63 -7.699 -3.054 -8.113 448 HA VAL 63 HA VAL 63 -9.674 -4.995 -7.266 449 HB VAL 63 HB VAL 63 -8.900 -4.800 -4.840 450 HG11 VAL 63 1HG1 VAL 63 -8.484 -6.776 -6.466 451 HG12 VAL 63 2HG1 VAL 63 -7.502 -6.678 -5.008 452 HG13 VAL 63 3HG1 VAL 63 -6.830 -6.159 -6.554 453 HG21 VAL 63 3HG2 VAL 63 -6.473 -4.307 -4.561 454 HG22 VAL 63 1HG2 VAL 63 -7.393 -2.905 -5.100 455 HG23 VAL 63 2HG2 VAL 63 -6.411 -3.813 -6.255 456 H SER 64 H SER 64 -11.058 -4.065 -5.468 457 HA SER 64 HA SER 64 -11.287 -1.122 -5.827 458 HB2 SER 64 2HB SER 64 -13.595 -1.327 -5.771 459 HB3 SER 64 1HB SER 64 -13.155 -2.834 -6.573 460 HG SER 64 HG SER 64 -14.492 -3.398 -4.925 461 H LEU 65 H LEU 65 -11.223 0.150 -4.078 462 HA LEU 65 HA LEU 65 -10.845 -1.146 -1.444 463 HB2 LEU 65 2HB LEU 65 -10.312 1.754 -2.084 464 HB3 LEU 65 1HB LEU 65 -9.629 0.754 -0.801 465 HG LEU 65 HG LEU 65 -9.118 0.456 -3.761 466 HD11 LEU 65 1HD1 LEU 65 -7.657 2.152 -3.242 467 HD12 LEU 65 2HD1 LEU 65 -6.670 0.849 -2.585 468 HD13 LEU 65 3HD1 LEU 65 -7.687 1.810 -1.515 469 HD21 LEU 65 3HD2 LEU 65 -7.372 -1.205 -2.862 470 HD22 LEU 65 1HD2 LEU 65 -9.053 -1.736 -2.853 471 HD23 LEU 65 2HD2 LEU 65 -8.295 -1.179 -1.360 472 H ASP 66 H ASP 66 -11.836 -0.181 0.424 473 HA ASP 66 HA ASP 66 -14.502 0.887 -0.192 474 HB2 ASP 66 2HB ASP 66 -13.348 -0.816 1.912 475 HB3 ASP 66 1HB ASP 66 -14.413 0.427 2.567 476 HA PRO 67 HA PRO 67 -13.686 4.944 1.163 477 HB2 PRO 67 2HB PRO 67 -15.921 5.513 2.714 478 HB3 PRO 67 1HB PRO 67 -15.918 5.486 0.942 479 HG2 PRO 67 2HG PRO 67 -16.792 3.367 2.858 480 HG3 PRO 67 1HG PRO 67 -17.552 3.899 1.345 481 HD2 PRO 67 2HD PRO 67 -16.075 1.641 1.465 482 HD3 PRO 67 1HD PRO 67 -16.079 2.674 0.017 483 H THR 68 H THR 68 -15.444 3.836 4.030 484 HA THR 68 HA THR 68 -13.750 5.100 5.868 485 HB THR 68 HB THR 68 -14.890 3.770 7.571 486 HG1 THR 68 1HG THR 68 -16.536 2.271 6.409 487 HG21 THR 68 3HG2 THR 68 -16.107 5.640 6.466 488 HG22 THR 68 1HG2 THR 68 -17.193 4.368 7.023 489 HG23 THR 68 2HG2 THR 68 -16.779 4.488 5.312 490 H LEU 69 H LEU 69 -13.288 2.257 4.071 491 HA LEU 69 HA LEU 69 -11.601 0.850 5.906 492 HB2 LEU 69 2HB LEU 69 -12.774 -0.247 4.038 493 HB3 LEU 69 1HB LEU 69 -11.765 0.629 2.890 494 HG LEU 69 HG LEU 69 -10.553 -1.065 5.087 495 HD11 LEU 69 1HD1 LEU 69 -10.402 -2.911 3.474 496 HD12 LEU 69 2HD1 LEU 69 -11.345 -1.974 2.316 497 HD13 LEU 69 3HD1 LEU 69 -12.083 -2.504 3.827 498 HD21 LEU 69 3HD2 LEU 69 -9.537 0.451 2.743 499 HD22 LEU 69 1HD2 LEU 69 -8.918 -1.198 2.843 500 HD23 LEU 69 2HD2 LEU 69 -8.694 -0.099 4.193 501 H ILE 70 H ILE 70 -11.019 3.124 3.236 502 HA ILE 70 HA ILE 70 -8.232 2.915 3.120 503 HB ILE 70 HB ILE 70 -10.093 5.232 2.569 504 HG12 ILE 70 2HG1 ILE 70 -8.517 3.587 0.577 505 HG13 ILE 70 1HG1 ILE 70 -10.060 3.010 1.182 506 HG21 ILE 70 1HG2 ILE 70 -8.058 6.069 1.226 507 HG22 ILE 70 2HG2 ILE 70 -7.108 4.954 2.209 508 HG23 ILE 70 3HG2 ILE 70 -7.995 6.268 2.979 509 HD11 ILE 70 3HD1 ILE 70 -11.111 5.157 0.462 510 HD12 ILE 70 1HD1 ILE 70 -10.427 4.248 -0.886 511 HD13 ILE 70 2HD1 ILE 70 -9.561 5.643 -0.234 512 H TRP 71 H TRP 71 -10.314 4.926 5.166 513 HA TRP 71 HA TRP 71 -8.072 6.193 6.475 514 HB2 TRP 71 2HB TRP 71 -11.058 6.185 6.915 515 HB3 TRP 71 1HB TRP 71 -9.971 6.932 8.084 516 HD1 TRP 71 HD TRP 71 -11.865 7.747 5.088 517 HE1 TRP 71 1HE TRP 71 -11.003 9.917 3.995 518 HE3 TRP 71 3HE TRP 71 -7.406 8.251 7.527 519 HZ2 TRP 71 2HZ TRP 71 -8.714 11.637 4.133 520 HZ3 TRP 71 3HZ TRP 71 -5.908 10.160 7.026 521 HH2 TRP 71 HH TRP 71 -6.557 11.852 5.335 522 H ASP 72 H ASP 72 -9.502 3.166 6.666 523 HA ASP 72 HA ASP 72 -9.162 2.755 9.518 524 HB2 ASP 72 2HB ASP 72 -10.883 1.578 8.052 525 HB3 ASP 72 1HB ASP 72 -9.542 0.615 7.420 526 H HIS 73 H HIS 73 -7.442 1.995 6.531 527 HA HIS 73 HA HIS 73 -5.139 1.013 8.147 528 HB2 HIS 73 2HB HIS 73 -5.752 0.331 5.273 529 HB3 HIS 73 1HB HIS 73 -4.533 -0.398 6.327 530 HD1 HIS 73 1HD HIS 73 -6.597 -0.458 8.835 531 HD2 HIS 73 2HD HIS 73 -7.198 -2.105 5.053 532 HE1 HIS 73 1HE HIS 73 -8.348 -2.269 9.105 533 HE2 HIS 73 2HE HIS 73 -8.717 -3.287 6.813 534 HA PRO 74 HA PRO 74 -3.896 4.880 5.858 535 HB2 PRO 74 2HB PRO 74 -3.038 6.325 8.015 536 HB3 PRO 74 1HB PRO 74 -4.735 6.281 7.500 537 HG2 PRO 74 2HG PRO 74 -3.395 4.812 9.721 538 HG3 PRO 74 1HG PRO 74 -5.004 5.560 9.671 539 HD2 PRO 74 2HD PRO 74 -4.559 2.862 9.354 540 HD3 PRO 74 1HD PRO 74 -5.960 3.732 8.709 541 H THR 75 H THR 75 -2.461 2.494 7.721 542 HA THR 75 HA THR 75 0.290 3.456 7.108 543 HB THR 75 HB THR 75 0.952 1.792 8.918 544 HG1 THR 75 1HG THR 75 -0.612 0.678 9.729 545 HG21 THR 75 3HG2 THR 75 -0.784 4.160 9.679 546 HG22 THR 75 1HG2 THR 75 0.932 4.228 9.275 547 HG23 THR 75 2HG2 THR 75 0.401 3.380 10.727 548 H ILE 76 H ILE 76 1.842 1.780 6.601 549 HA ILE 76 HA ILE 76 0.908 0.077 4.520 550 HB ILE 76 HB ILE 76 3.587 0.266 5.906 551 HG12 ILE 76 2HG1 ILE 76 2.487 1.268 3.257 552 HG13 ILE 76 1HG1 ILE 76 3.025 2.248 4.620 553 HG21 ILE 76 1HG2 ILE 76 3.286 -2.008 4.950 554 HG22 ILE 76 2HG2 ILE 76 4.448 -1.099 4.013 555 HG23 ILE 76 3HG2 ILE 76 2.802 -1.293 3.422 556 HD11 ILE 76 3HD1 ILE 76 4.613 0.894 2.529 557 HD12 ILE 76 1HD1 ILE 76 5.275 0.736 4.152 558 HD13 ILE 76 2HD1 ILE 76 4.998 2.336 3.463 559 H ASP 77 H ASP 77 1.930 -0.470 7.866 560 HA ASP 77 HA ASP 77 2.103 -3.224 7.920 561 HB2 ASP 77 2HB ASP 77 2.632 -1.822 9.855 562 HB3 ASP 77 1HB ASP 77 0.934 -1.386 10.024 563 H ALA 78 H ALA 78 -0.830 -1.248 8.463 564 HA ALA 78 HA ALA 78 -2.574 -3.489 8.669 565 HB1 ALA 78 1HB ALA 78 -3.042 -0.553 8.144 566 HB2 ALA 78 2HB ALA 78 -3.299 -1.443 9.645 567 HB3 ALA 78 3HB ALA 78 -4.357 -1.722 8.261 568 H LEU 79 H LEU 79 -1.804 -1.238 6.027 569 HA LEU 79 HA LEU 79 -3.585 -2.285 4.174 570 HB2 LEU 79 2HB LEU 79 -1.729 -0.245 4.165 571 HB3 LEU 79 1HB LEU 79 -0.982 -1.384 3.075 572 HG LEU 79 HG LEU 79 -2.359 0.047 1.737 573 HD11 LEU 79 1HD1 LEU 79 -4.192 -2.323 1.945 574 HD12 LEU 79 2HD1 LEU 79 -2.513 -2.619 1.533 575 HD13 LEU 79 3HD1 LEU 79 -3.486 -1.568 0.519 576 HD21 LEU 79 3HD2 LEU 79 -4.905 -0.709 3.152 577 HD22 LEU 79 1HD2 LEU 79 -4.486 0.784 2.322 578 HD23 LEU 79 2HD2 LEU 79 -3.877 0.484 3.943 579 H SER 80 H SER 80 -0.200 -3.136 4.744 580 HA SER 80 HA SER 80 0.038 -5.079 2.734 581 HB2 SER 80 2HB SER 80 2.045 -4.344 3.749 582 HB3 SER 80 1HB SER 80 1.440 -4.669 5.371 583 HG SER 80 HG SER 80 1.571 -6.850 4.959 584 H THR 81 H THR 81 -0.863 -5.375 6.161 585 HA THR 81 HA THR 81 -1.186 -8.153 6.263 586 HB THR 81 HB THR 81 -2.845 -6.091 7.725 587 HG1 THR 81 1HG THR 81 -0.241 -6.549 7.765 588 HG21 THR 81 3HG2 THR 81 -2.958 -7.893 9.447 589 HG22 THR 81 1HG2 THR 81 -2.138 -8.975 8.320 590 HG23 THR 81 2HG2 THR 81 -3.740 -8.344 7.929 591 H ALA 82 H ALA 82 -3.503 -5.614 5.331 592 HA ALA 82 HA ALA 82 -5.681 -7.387 4.898 593 HB1 ALA 82 1HB ALA 82 -6.142 -5.049 5.232 594 HB2 ALA 82 2HB ALA 82 -6.604 -5.439 3.576 595 HB3 ALA 82 3HB ALA 82 -5.089 -4.594 3.892 596 H LEU 83 H LEU 83 -3.111 -6.056 2.775 597 HA LEU 83 HA LEU 83 -4.196 -6.972 0.373 598 HB2 LEU 83 2HB LEU 83 -2.141 -5.361 0.948 599 HB3 LEU 83 1HB LEU 83 -1.199 -6.843 0.785 600 HG LEU 83 HG LEU 83 -3.025 -5.605 -1.293 601 HD11 LEU 83 1HD1 LEU 83 -0.939 -4.513 -1.326 602 HD12 LEU 83 2HD1 LEU 83 -0.808 -5.743 -2.582 603 HD13 LEU 83 3HD1 LEU 83 -0.051 -6.003 -1.010 604 HD21 LEU 83 3HD2 LEU 83 -3.336 -7.946 -1.517 605 HD22 LEU 83 1HD2 LEU 83 -1.650 -8.281 -1.164 606 HD23 LEU 83 2HD2 LEU 83 -2.092 -7.549 -2.698 607 H VAL 84 H VAL 84 -1.660 -8.407 2.442 608 HA VAL 84 HA VAL 84 -1.293 -10.747 0.922 609 HB VAL 84 HB VAL 84 0.237 -9.981 2.721 610 HG11 VAL 84 1HG1 VAL 84 -0.338 -10.385 5.048 611 HG12 VAL 84 2HG1 VAL 84 -1.903 -11.049 4.583 612 HG13 VAL 84 3HG1 VAL 84 -1.543 -9.350 4.305 613 HG21 VAL 84 3HG2 VAL 84 0.542 -12.280 3.754 614 HG22 VAL 84 1HG2 VAL 84 0.505 -12.255 1.994 615 HG23 VAL 84 2HG2 VAL 84 -0.911 -12.784 2.908 616 H ALA 85 H ALA 85 -3.689 -9.844 3.322 617 HA ALA 85 HA ALA 85 -4.723 -12.422 3.873 618 HB1 ALA 85 1HB ALA 85 -6.340 -9.881 3.763 619 HB2 ALA 85 2HB ALA 85 -5.224 -10.238 5.087 620 HB3 ALA 85 3HB ALA 85 -6.606 -11.294 4.787 621 H GLU 86 H GLU 86 -5.442 -10.036 1.348 622 HA GLU 86 HA GLU 86 -7.687 -11.310 0.232 623 HB2 GLU 86 2HB GLU 86 -7.538 -9.665 -1.380 624 HB3 GLU 86 1HB GLU 86 -6.297 -9.004 -0.315 625 HG2 GLU 86 2HG GLU 86 -4.594 -10.319 -1.576 626 HG3 GLU 86 1HG GLU 86 -5.829 -10.782 -2.714 627 H LEU 87 H LEU 87 -4.337 -12.109 0.125 628 HA LEU 87 HA LEU 87 -4.532 -13.784 -2.230 629 HB2 LEU 87 2HB LEU 87 -2.428 -12.543 -1.479 630 HB3 LEU 87 1HB LEU 87 -2.295 -13.749 -0.200 631 HG LEU 87 HG LEU 87 -2.549 -15.475 -2.196 632 HD11 LEU 87 1HD1 LEU 87 -1.556 -12.979 -3.585 633 HD12 LEU 87 2HD1 LEU 87 -3.034 -13.865 -3.951 634 HD13 LEU 87 3HD1 LEU 87 -1.467 -14.602 -4.262 635 HD21 LEU 87 3HD2 LEU 87 -0.569 -15.274 -0.780 636 HD22 LEU 87 1HD2 LEU 87 -0.026 -13.881 -1.712 637 HD23 LEU 87 2HD2 LEU 87 -0.096 -15.474 -2.467 638 H ARG 88 H ARG 88 -5.051 -14.084 1.148 639 HA ARG 88 HA ARG 88 -4.827 -17.019 1.081 640 HB2 ARG 88 2HB ARG 88 -5.380 -15.117 3.372 641 HB3 ARG 88 1HB ARG 88 -5.186 -16.865 3.514 642 HG2 ARG 88 2HG ARG 88 -2.908 -16.712 2.630 643 HG3 ARG 88 1HG ARG 88 -3.090 -14.970 2.421 644 HD2 ARG 88 2HD ARG 88 -1.906 -15.355 4.498 645 HD3 ARG 88 1HD ARG 88 -3.527 -14.787 4.887 646 HE ARG 88 HE ARG 88 -3.542 -17.611 4.808 647 HH11 ARG 88 1HH2 ARG 88 -2.300 -14.947 6.634 648 HH12 ARG 88 2HH2 ARG 88 -2.273 -15.810 8.135 649 HH21 ARG 88 1HH1 ARG 88 -3.509 -18.750 6.773 650 HH22 ARG 88 2HH1 ARG 88 -2.957 -17.963 8.215 651 H SER 89 H SER 89 -6.931 -16.617 3.416 652 HA SER 89 HA SER 89 -9.154 -17.609 1.934 653 HB2 SER 89 2HB SER 89 -8.529 -18.038 4.404 654 HB3 SER 89 1HB SER 89 -9.329 -16.503 4.731 655 HG SER 89 HG SER 89 -11.172 -17.380 3.631 656 H ALA 90 H ALA 90 -8.639 -14.574 3.734 657 HA ALA 90 HA ALA 90 -10.157 -13.077 1.772 658 HB1 ALA 90 1HB ALA 90 -11.958 -12.397 3.150 659 HB2 ALA 90 2HB ALA 90 -11.213 -13.077 4.599 660 HB3 ALA 90 3HB ALA 90 -11.865 -14.147 3.356 Start of MODEL 26 1 H1 GLY 1 1HT GLY 1 16.707 -15.796 -7.869 2 H2 GLY 1 2HT GLY 1 18.242 -15.983 -8.574 3 H3 GLY 1 3HT GLY 1 18.101 -15.564 -6.933 4 HA2 GLY 1 2HA GLY 1 18.178 -18.130 -8.108 5 HA3 GLY 1 1HA GLY 1 18.184 -17.697 -6.397 6 H HIS 2 H HIS 2 16.147 -17.379 -5.321 7 HA HIS 2 HA HIS 2 13.957 -18.955 -6.541 8 HB2 HIS 2 2HB HIS 2 14.530 -18.252 -3.652 9 HB3 HIS 2 1HB HIS 2 13.139 -19.181 -4.212 10 HD1 HIS 2 1HD HIS 2 13.769 -21.453 -5.577 11 HD2 HIS 2 2HD HIS 2 16.813 -19.787 -3.265 12 HE1 HIS 2 1HE HIS 2 15.515 -23.264 -5.277 13 HE2 HIS 2 2HE HIS 2 17.376 -22.264 -3.869 14 H MET 3 H MET 3 11.935 -18.124 -6.773 15 HA MET 3 HA MET 3 11.676 -15.261 -6.813 16 HB2 MET 3 2HB MET 3 9.709 -17.499 -7.335 17 HB3 MET 3 1HB MET 3 9.318 -15.789 -7.523 18 HG2 MET 3 2HG MET 3 11.152 -15.548 -9.159 19 HG3 MET 3 1HG MET 3 11.541 -17.258 -8.975 20 HE1 MET 3 3HE MET 3 10.045 -17.402 -12.465 21 HE2 MET 3 1HE MET 3 11.291 -17.998 -11.360 22 HE3 MET 3 2HE MET 3 11.190 -16.279 -11.735 23 H SER 4 H SER 4 10.814 -13.956 -5.316 24 HA SER 4 HA SER 4 8.811 -14.704 -3.460 25 HB2 SER 4 2HB SER 4 10.204 -14.577 -1.388 26 HB3 SER 4 1HB SER 4 10.542 -15.998 -2.374 27 HG SER 4 HG SER 4 12.251 -14.634 -3.334 28 H ASP 5 H ASP 5 9.556 -12.546 -5.292 29 HA ASP 5 HA ASP 5 9.070 -10.317 -3.480 30 HB2 ASP 5 2HB ASP 5 11.593 -10.566 -3.721 31 HB3 ASP 5 1HB ASP 5 11.377 -10.155 -5.421 32 H LEU 6 H LEU 6 7.046 -10.665 -4.749 33 HA LEU 6 HA LEU 6 5.552 -9.960 -6.288 34 HB2 LEU 6 2HB LEU 6 6.337 -7.725 -5.951 35 HB3 LEU 6 1HB LEU 6 7.796 -8.014 -6.889 36 HG LEU 6 HG LEU 6 6.522 -8.224 -8.932 37 HD11 LEU 6 1HD1 LEU 6 4.184 -8.200 -7.023 38 HD12 LEU 6 2HD1 LEU 6 4.558 -9.357 -8.305 39 HD13 LEU 6 3HD1 LEU 6 3.976 -7.742 -8.718 40 HD21 LEU 6 3HD2 LEU 6 5.774 -5.877 -7.189 41 HD22 LEU 6 1HD2 LEU 6 5.353 -5.964 -8.900 42 HD23 LEU 6 2HD2 LEU 6 7.045 -5.971 -8.407 43 H SER 7 H SER 7 5.264 -11.744 -7.623 44 HA SER 7 HA SER 7 6.182 -11.669 -10.241 45 HB2 SER 7 2HB SER 7 7.825 -13.360 -10.323 46 HB3 SER 7 1HB SER 7 8.320 -12.311 -9.010 47 HG SER 7 HG SER 7 8.097 -14.781 -8.771 48 H THR 8 H THR 8 6.445 -14.840 -9.619 49 HA THR 8 HA THR 8 3.616 -15.353 -10.141 50 HB THR 8 HB THR 8 5.352 -16.439 -11.424 51 HG1 THR 8 1HG THR 8 3.479 -17.751 -9.929 52 HG21 THR 8 3HG2 THR 8 6.935 -16.610 -9.368 53 HG22 THR 8 1HG2 THR 8 6.961 -17.909 -10.559 54 HG23 THR 8 2HG2 THR 8 6.078 -18.118 -9.052 55 H ALA 9 H ALA 9 4.208 -14.334 -7.673 56 HA ALA 9 HA ALA 9 2.770 -15.709 -5.850 57 HB1 ALA 9 1HB ALA 9 3.878 -17.735 -5.850 58 HB2 ALA 9 2HB ALA 9 4.739 -16.937 -4.535 59 HB3 ALA 9 3HB ALA 9 5.445 -16.987 -6.159 60 HA PRO 10 HA PRO 10 5.114 -11.824 -4.530 61 HB2 PRO 10 2HB PRO 10 2.280 -11.031 -3.963 62 HB3 PRO 10 1HB PRO 10 3.585 -10.089 -4.722 63 HG2 PRO 10 2HG PRO 10 1.582 -11.125 -6.173 64 HG3 PRO 10 1HG PRO 10 3.234 -11.027 -6.801 65 HD2 PRO 10 2HD PRO 10 1.739 -13.428 -5.804 66 HD3 PRO 10 1HD PRO 10 2.955 -13.313 -7.112 67 H THR 11 H THR 11 6.021 -12.468 -2.635 68 HA THR 11 HA THR 11 4.429 -13.613 -0.488 69 HB THR 11 HB THR 11 7.359 -12.855 -0.572 70 HG1 THR 11 1HG THR 11 5.877 -15.001 -1.461 71 HG21 THR 11 3HG2 THR 11 5.626 -14.328 1.413 72 HG22 THR 11 1HG2 THR 11 6.766 -13.014 1.708 73 HG23 THR 11 2HG2 THR 11 7.361 -14.624 1.314 74 H LEU 12 H LEU 12 4.660 -12.717 1.753 75 HA LEU 12 HA LEU 12 3.521 -10.276 2.112 76 HB2 LEU 12 2HB LEU 12 5.531 -11.718 3.825 77 HB3 LEU 12 1HB LEU 12 4.714 -10.251 4.362 78 HG LEU 12 HG LEU 12 2.801 -12.190 3.236 79 HD11 LEU 12 1HD1 LEU 12 4.388 -13.039 5.675 80 HD12 LEU 12 2HD1 LEU 12 4.400 -13.841 4.106 81 HD13 LEU 12 3HD1 LEU 12 2.928 -13.829 5.076 82 HD21 LEU 12 3HD2 LEU 12 2.145 -10.256 4.601 83 HD22 LEU 12 1HD2 LEU 12 3.087 -10.872 5.957 84 HD23 LEU 12 2HD2 LEU 12 1.662 -11.749 5.409 85 H ASP 13 H ASP 13 6.884 -10.937 1.493 86 HA ASP 13 HA ASP 13 7.816 -8.289 2.104 87 HB2 ASP 13 2HB ASP 13 9.247 -10.233 0.313 88 HB3 ASP 13 1HB ASP 13 9.924 -8.987 1.355 89 H SER 14 H SER 14 6.606 -9.938 -0.756 90 HA SER 14 HA SER 14 7.513 -8.073 -2.680 91 HB2 SER 14 2HB SER 14 5.879 -9.086 -4.128 92 HB3 SER 14 1HB SER 14 6.732 -10.324 -3.214 93 HG SER 14 HG SER 14 4.534 -9.407 -1.920 94 H LEU 15 H LEU 15 4.549 -8.289 -0.757 95 HA LEU 15 HA LEU 15 3.365 -6.018 -1.980 96 HB2 LEU 15 2HB LEU 15 2.681 -7.179 0.712 97 HB3 LEU 15 1HB LEU 15 1.641 -6.220 -0.328 98 HG LEU 15 HG LEU 15 0.873 -8.355 -0.841 99 HD11 LEU 15 1HD1 LEU 15 3.193 -8.312 -2.789 100 HD12 LEU 15 2HD1 LEU 15 1.807 -7.248 -2.944 101 HD13 LEU 15 3HD1 LEU 15 1.590 -8.990 -3.038 102 HD21 LEU 15 3HD2 LEU 15 1.972 -10.010 0.229 103 HD22 LEU 15 1HD2 LEU 15 3.507 -9.161 0.144 104 HD23 LEU 15 2HD2 LEU 15 2.974 -10.151 -1.213 105 H ARG 16 H ARG 16 4.412 -6.506 1.344 106 HA ARG 16 HA ARG 16 4.392 -4.014 2.345 107 HB2 ARG 16 2HB ARG 16 5.335 -5.880 3.575 108 HB3 ARG 16 1HB ARG 16 6.727 -5.919 2.494 109 HG2 ARG 16 2HG ARG 16 6.221 -3.264 3.758 110 HG3 ARG 16 1HG ARG 16 6.681 -4.539 4.882 111 HD2 ARG 16 2HD ARG 16 8.661 -5.039 3.434 112 HD3 ARG 16 1HD ARG 16 8.232 -3.673 2.421 113 HE ARG 16 HE ARG 16 9.010 -2.240 4.068 114 HH11 ARG 16 1HH2 ARG 16 8.665 -5.474 5.247 115 HH12 ARG 16 2HH2 ARG 16 9.486 -5.162 6.740 116 HH21 ARG 16 1HH1 ARG 16 10.084 -1.822 6.014 117 HH22 ARG 16 2HH1 ARG 16 10.291 -3.092 7.174 118 H VAL 17 H VAL 17 7.123 -5.215 0.340 119 HA VAL 17 HA VAL 17 8.508 -2.775 0.170 120 HB VAL 17 HB VAL 17 9.645 -3.784 -1.766 121 HG11 VAL 17 1HG1 VAL 17 10.611 -4.679 0.159 122 HG12 VAL 17 2HG1 VAL 17 10.012 -6.176 -0.567 123 HG13 VAL 17 3HG1 VAL 17 9.101 -5.390 0.724 124 HG21 VAL 17 3HG2 VAL 17 7.289 -5.589 -1.606 125 HG22 VAL 17 1HG2 VAL 17 8.762 -6.172 -2.348 126 HG23 VAL 17 2HG2 VAL 17 7.913 -4.774 -3.022 127 H TRP 18 H TRP 18 5.908 -4.147 -1.823 128 HA TRP 18 HA TRP 18 5.983 -2.229 -3.889 129 HB2 TRP 18 2HB TRP 18 4.267 -3.502 -4.673 130 HB3 TRP 18 1HB TRP 18 4.366 -4.426 -3.187 131 HD1 TRP 18 HD TRP 18 2.406 -4.104 -1.416 132 HE1 TRP 18 1HE TRP 18 0.296 -2.740 -1.343 133 HE3 TRP 18 3HE TRP 18 3.136 -1.143 -5.523 134 HZ2 TRP 18 2HZ TRP 18 -0.962 -0.684 -2.787 135 HZ3 TRP 18 3HZ TRP 18 1.432 0.518 -6.128 136 HH2 TRP 18 HH TRP 18 -0.628 0.733 -4.749 137 H LEU 19 H LEU 19 3.988 -2.293 -0.933 138 HA LEU 19 HA LEU 19 2.621 0.104 -1.349 139 HB2 LEU 19 2HB LEU 19 3.195 -1.699 0.888 140 HB3 LEU 19 1HB LEU 19 3.012 -0.036 1.416 141 HG LEU 19 HG LEU 19 0.920 -0.895 -0.517 142 HD11 LEU 19 1HD1 LEU 19 0.977 -2.130 2.225 143 HD12 LEU 19 2HD1 LEU 19 1.259 -2.988 0.710 144 HD13 LEU 19 3HD1 LEU 19 -0.301 -2.251 1.021 145 HD21 LEU 19 3HD2 LEU 19 0.533 0.209 2.251 146 HD22 LEU 19 1HD2 LEU 19 -0.451 0.445 0.811 147 HD23 LEU 19 2HD2 LEU 19 1.109 1.238 0.943 148 H VAL 20 H VAL 20 5.506 -0.335 0.737 149 HA VAL 20 HA VAL 20 5.891 2.395 1.188 150 HB VAL 20 HB VAL 20 7.003 0.649 2.501 151 HG11 VAL 20 1HG1 VAL 20 7.369 -0.778 0.370 152 HG12 VAL 20 2HG1 VAL 20 8.598 -0.834 1.621 153 HG13 VAL 20 3HG1 VAL 20 8.857 0.142 0.175 154 HG21 VAL 20 3HG2 VAL 20 8.016 2.942 2.228 155 HG22 VAL 20 1HG2 VAL 20 9.073 2.258 0.996 156 HG23 VAL 20 2HG2 VAL 20 9.171 1.682 2.660 157 H ASP 21 H ASP 21 7.423 0.264 -1.237 158 HA ASP 21 HA ASP 21 9.001 2.234 -2.446 159 HB2 ASP 21 2HB ASP 21 9.258 -0.191 -2.866 160 HB3 ASP 21 1HB ASP 21 7.724 -0.193 -3.732 161 H CYS 22 H CYS 22 5.640 1.351 -2.926 162 HA CYS 22 HA CYS 22 5.167 2.778 -5.316 163 HB2 CYS 22 2HB CYS 22 3.590 1.118 -4.359 164 HB3 CYS 22 1HB CYS 22 3.207 2.257 -3.067 165 HG CYS 22 HG CYS 22 1.783 3.534 -4.638 166 H VAL 23 H VAL 23 4.652 3.727 -1.914 167 HA VAL 23 HA VAL 23 3.757 6.344 -2.456 168 HB VAL 23 HB VAL 23 5.295 5.343 -0.067 169 HG11 VAL 23 1HG1 VAL 23 3.254 7.548 0.077 170 HG12 VAL 23 2HG1 VAL 23 4.854 7.957 -0.522 171 HG13 VAL 23 3HG1 VAL 23 4.669 7.270 1.083 172 HG21 VAL 23 3HG2 VAL 23 2.307 5.499 -0.541 173 HG22 VAL 23 1HG2 VAL 23 3.089 4.960 0.948 174 HG23 VAL 23 2HG2 VAL 23 3.257 4.018 -0.538 175 H ALA 24 H ALA 24 7.043 5.096 -1.770 176 HA ALA 24 HA ALA 24 8.456 7.472 -1.744 177 HB1 ALA 24 1HB ALA 24 10.392 6.177 -2.383 178 HB2 ALA 24 2HB ALA 24 9.368 4.904 -3.046 179 HB3 ALA 24 3HB ALA 24 9.394 5.198 -1.308 180 H GLY 25 H GLY 25 7.696 5.443 -4.565 181 HA2 GLY 25 2HA GLY 25 8.857 7.139 -6.499 182 HA3 GLY 25 1HA GLY 25 7.591 5.959 -6.818 183 H HIS 26 H HIS 26 5.529 6.976 -5.246 184 HA HIS 26 HA HIS 26 4.353 8.862 -6.939 185 HB2 HIS 26 2HB HIS 26 3.785 8.074 -4.080 186 HB3 HIS 26 1HB HIS 26 2.791 9.254 -4.937 187 HD1 HIS 26 1HD HIS 26 2.279 8.181 -7.589 188 HD2 HIS 26 2HD HIS 26 2.576 5.611 -4.322 189 HE1 HIS 26 1HE HIS 26 1.098 6.040 -8.251 190 HE2 HIS 26 2HE HIS 26 1.270 4.467 -6.270 191 H LEU 27 H LEU 27 5.726 9.423 -3.655 192 HA LEU 27 HA LEU 27 5.537 12.291 -4.009 193 HB2 LEU 27 2HB LEU 27 6.940 10.712 -1.845 194 HB3 LEU 27 1HB LEU 27 6.466 12.410 -1.778 195 HG LEU 27 HG LEU 27 4.569 10.060 -2.059 196 HD11 LEU 27 1HD1 LEU 27 4.843 11.964 0.276 197 HD12 LEU 27 2HD1 LEU 27 5.722 10.436 0.201 198 HD13 LEU 27 3HD1 LEU 27 3.958 10.441 0.219 199 HD21 LEU 27 3HD2 LEU 27 2.916 12.028 -1.455 200 HD22 LEU 27 1HD2 LEU 27 3.455 11.825 -3.121 201 HD23 LEU 27 2HD2 LEU 27 4.202 13.051 -2.096 202 H GLY 28 H GLY 28 8.062 9.836 -4.108 203 HA2 GLY 28 2HA GLY 28 9.954 10.029 -5.552 204 HA3 GLY 28 1HA GLY 28 9.889 11.777 -5.366 205 H LEU 29 H LEU 29 9.299 10.754 -2.343 206 HA LEU 29 HA LEU 29 11.908 11.367 -1.384 207 HB2 LEU 29 2HB LEU 29 9.675 10.029 0.146 208 HB3 LEU 29 1HB LEU 29 11.006 10.972 0.805 209 HG LEU 29 HG LEU 29 8.825 12.025 -1.014 210 HD11 LEU 29 1HD1 LEU 29 9.362 12.362 1.949 211 HD12 LEU 29 2HD1 LEU 29 7.953 11.607 1.204 212 HD13 LEU 29 3HD1 LEU 29 8.212 13.342 1.039 213 HD21 LEU 29 3HD2 LEU 29 9.916 14.256 -0.204 214 HD22 LEU 29 1HD2 LEU 29 10.727 13.349 -1.479 215 HD23 LEU 29 2HD2 LEU 29 11.315 13.253 0.182 216 H ASP 30 H ASP 30 12.625 9.689 0.519 217 HA ASP 30 HA ASP 30 13.491 7.325 -0.979 218 HB2 ASP 30 2HB ASP 30 14.285 8.480 1.694 219 HB3 ASP 30 1HB ASP 30 14.917 6.956 1.071 220 H ALA 31 H ALA 31 12.789 5.293 -0.631 221 HA ALA 31 HA ALA 31 10.425 4.752 0.746 222 HB1 ALA 31 1HB ALA 31 10.900 3.194 -0.887 223 HB2 ALA 31 2HB ALA 31 11.343 2.305 0.570 224 HB3 ALA 31 3HB ALA 31 12.594 3.066 -0.413 225 H ALA 32 H ALA 32 13.798 4.447 1.783 226 HA ALA 32 HA ALA 32 13.332 2.982 4.129 227 HB1 ALA 32 1HB ALA 32 15.550 3.671 4.770 228 HB2 ALA 32 2HB ALA 32 15.513 5.013 3.628 229 HB3 ALA 32 3HB ALA 32 15.550 3.352 3.036 230 H THR 33 H THR 33 12.581 6.208 3.329 231 HA THR 33 HA THR 33 11.925 6.761 6.161 232 HB THR 33 HB THR 33 12.554 9.217 5.517 233 HG1 THR 33 1HG THR 33 13.459 9.390 3.660 234 HG21 THR 33 3HG2 THR 33 14.636 7.060 5.999 235 HG22 THR 33 1HG2 THR 33 13.724 7.922 7.238 236 HG23 THR 33 2HG2 THR 33 14.901 8.786 6.249 237 H ILE 34 H ILE 34 10.165 5.751 4.219 238 HA ILE 34 HA ILE 34 8.666 8.011 3.174 239 HB ILE 34 HB ILE 34 8.476 5.043 3.060 240 HG12 ILE 34 2HG1 ILE 34 9.457 6.578 1.309 241 HG13 ILE 34 1HG1 ILE 34 8.231 5.460 0.713 242 HG21 ILE 34 1HG2 ILE 34 6.050 6.834 2.900 243 HG22 ILE 34 2HG2 ILE 34 6.211 5.290 3.735 244 HG23 ILE 34 3HG2 ILE 34 6.143 5.333 1.988 245 HD11 ILE 34 3HD1 ILE 34 7.010 7.964 1.592 246 HD12 ILE 34 1HD1 ILE 34 6.964 7.180 0.012 247 HD13 ILE 34 2HD1 ILE 34 8.292 8.251 0.429 248 H ALA 35 H ALA 35 7.484 5.342 5.173 249 HA ALA 35 HA ALA 35 6.744 6.681 7.460 250 HB1 ALA 35 1HB ALA 35 4.796 7.056 5.189 251 HB2 ALA 35 2HB ALA 35 5.340 8.232 6.389 252 HB3 ALA 35 3HB ALA 35 4.211 6.968 6.851 253 H THR 36 H THR 36 7.223 3.980 5.945 254 HA THR 36 HA THR 36 5.253 2.181 5.998 255 HB THR 36 HB THR 36 6.849 0.520 6.649 256 HG1 THR 36 1HG THR 36 8.714 1.126 7.803 257 HG21 THR 36 3HG2 THR 36 7.349 1.880 4.562 258 HG22 THR 36 1HG2 THR 36 8.743 1.073 5.283 259 HG23 THR 36 2HG2 THR 36 8.497 2.800 5.535 260 H ASP 37 H ASP 37 6.701 3.621 8.937 261 HA ASP 37 HA ASP 37 4.861 2.092 10.628 262 HB2 ASP 37 2HB ASP 37 7.155 3.971 11.206 263 HB3 ASP 37 1HB ASP 37 6.140 3.254 12.456 264 H LEU 38 H LEU 38 5.063 5.102 9.048 265 HA LEU 38 HA LEU 38 3.126 6.323 10.901 266 HB2 LEU 38 2HB LEU 38 5.128 7.435 8.958 267 HB3 LEU 38 1HB LEU 38 3.725 8.403 9.363 268 HG LEU 38 HG LEU 38 4.434 7.775 11.872 269 HD11 LEU 38 1HD1 LEU 38 7.005 7.594 10.299 270 HD12 LEU 38 2HD1 LEU 38 6.235 6.279 11.185 271 HD13 LEU 38 3HD1 LEU 38 6.888 7.666 12.058 272 HD21 LEU 38 3HD2 LEU 38 5.709 9.864 11.954 273 HD22 LEU 38 1HD2 LEU 38 4.293 10.047 10.918 274 HD23 LEU 38 2HD2 LEU 38 5.892 9.838 10.200 275 HA PRO 39 HA PRO 39 -0.178 5.923 8.060 276 HB2 PRO 39 2HB PRO 39 -1.485 8.344 8.430 277 HB3 PRO 39 1HB PRO 39 -1.584 6.980 9.561 278 HG2 PRO 39 2HG PRO 39 0.129 9.427 9.697 279 HG3 PRO 39 1HG PRO 39 -0.761 8.600 10.991 280 HD2 PRO 39 2HD PRO 39 1.896 8.281 10.680 281 HD3 PRO 39 1HD PRO 39 0.862 6.953 11.237 282 H LEU 40 H LEU 40 -1.347 7.272 6.283 283 HA LEU 40 HA LEU 40 0.650 8.129 4.395 284 HB2 LEU 40 2HB LEU 40 -1.119 8.210 2.794 285 HB3 LEU 40 1HB LEU 40 -1.452 6.819 3.820 286 HG LEU 40 HG LEU 40 -2.711 9.557 4.202 287 HD11 LEU 40 1HD1 LEU 40 -3.340 8.260 2.102 288 HD12 LEU 40 2HD1 LEU 40 -4.650 8.750 3.178 289 HD13 LEU 40 3HD1 LEU 40 -4.070 7.084 3.195 290 HD21 LEU 40 3HD2 LEU 40 -2.963 6.893 5.579 291 HD22 LEU 40 1HD2 LEU 40 -4.286 8.059 5.611 292 HD23 LEU 40 2HD2 LEU 40 -2.722 8.485 6.294 293 H THR 41 H THR 41 -1.496 9.664 6.618 294 HA THR 41 HA THR 41 -1.877 12.150 5.480 295 HB THR 41 HB THR 41 -1.295 11.798 8.417 296 HG1 THR 41 1HG THR 41 -2.709 10.136 7.498 297 HG21 THR 41 3HG2 THR 41 -2.950 13.548 8.656 298 HG22 THR 41 1HG2 THR 41 -3.354 13.462 6.942 299 HG23 THR 41 2HG2 THR 41 -1.777 14.072 7.448 300 H SER 42 H SER 42 0.972 10.817 7.073 301 HA SER 42 HA SER 42 2.461 13.016 7.658 302 HB2 SER 42 2HB SER 42 4.408 11.642 7.352 303 HB3 SER 42 1HB SER 42 3.114 10.573 7.890 304 HG SER 42 HG SER 42 3.874 9.554 6.148 305 H TYR 43 H TYR 43 1.759 11.713 4.461 306 HA TYR 43 HA TYR 43 3.630 13.325 3.026 307 HB2 TYR 43 2HB TYR 43 1.056 12.267 1.878 308 HB3 TYR 43 1HB TYR 43 2.606 12.471 1.085 309 HD1 TYR 43 1HD TYR 43 4.356 11.271 3.321 310 HD2 TYR 43 2HD TYR 43 0.718 9.941 1.448 311 HE1 TYR 43 1HE TYR 43 4.932 8.954 3.866 312 HE2 TYR 43 2HE TYR 43 1.312 7.600 2.002 313 HH TYR 43 HH TYR 43 3.311 6.695 4.216 314 H GLY 44 H GLY 44 0.900 14.163 4.715 315 HA2 GLY 44 2HA GLY 44 -0.288 16.119 4.880 316 HA3 GLY 44 1HA GLY 44 1.013 16.865 3.956 317 H LEU 45 H LEU 45 -0.850 14.168 2.723 318 HA LEU 45 HA LEU 45 -1.624 15.699 0.416 319 HB2 LEU 45 2HB LEU 45 -2.402 13.643 -0.462 320 HB3 LEU 45 1HB LEU 45 -0.936 13.254 0.424 321 HG LEU 45 HG LEU 45 -3.780 12.891 1.461 322 HD11 LEU 45 1HD1 LEU 45 -1.753 11.029 0.259 323 HD12 LEU 45 2HD1 LEU 45 -3.493 11.123 -0.004 324 HD13 LEU 45 3HD1 LEU 45 -2.873 10.436 1.489 325 HD21 LEU 45 3HD2 LEU 45 -2.416 13.376 3.357 326 HD22 LEU 45 1HD2 LEU 45 -1.055 12.478 2.695 327 HD23 LEU 45 2HD2 LEU 45 -2.468 11.621 3.284 328 H ASP 46 H ASP 46 -3.640 16.366 -0.165 329 HA ASP 46 HA ASP 46 -5.551 16.805 1.938 330 HB2 ASP 46 2HB ASP 46 -5.590 17.351 -1.028 331 HB3 ASP 46 1HB ASP 46 -6.947 17.735 0.030 332 H SER 47 H SER 47 -7.990 16.381 1.257 333 HA SER 47 HA SER 47 -8.362 13.568 1.364 334 HB2 SER 47 2HB SER 47 -9.923 15.158 2.410 335 HB3 SER 47 1HB SER 47 -10.373 15.766 0.819 336 HG SER 47 HG SER 47 -10.676 13.254 0.554 337 H VAL 48 H VAL 48 -8.569 15.959 -1.214 338 HA VAL 48 HA VAL 48 -9.831 14.320 -3.148 339 HB VAL 48 HB VAL 48 -7.920 16.633 -3.555 340 HG11 VAL 48 1HG1 VAL 48 -8.167 15.376 -5.604 341 HG12 VAL 48 2HG1 VAL 48 -9.178 16.815 -5.736 342 HG13 VAL 48 3HG1 VAL 48 -9.913 15.252 -5.375 343 HG21 VAL 48 3HG2 VAL 48 -10.948 16.652 -3.601 344 HG22 VAL 48 1HG2 VAL 48 -9.855 18.037 -3.568 345 HG23 VAL 48 2HG2 VAL 48 -10.024 17.013 -2.141 346 H TYR 49 H TYR 49 -6.564 14.524 -1.992 347 HA TYR 49 HA TYR 49 -5.249 13.359 -4.200 348 HB2 TYR 49 2HB TYR 49 -4.560 14.212 -1.562 349 HB3 TYR 49 1HB TYR 49 -4.001 12.550 -1.711 350 HD1 TYR 49 2HD TYR 49 -4.203 15.506 -4.018 351 HD2 TYR 49 1HD TYR 49 -1.756 12.420 -2.313 352 HE1 TYR 49 2HE TYR 49 -2.284 16.269 -5.384 353 HE2 TYR 49 1HE TYR 49 0.151 13.168 -3.665 354 HH TYR 49 HH TYR 49 0.262 16.128 -5.209 355 H ALA 50 H ALA 50 -6.585 11.887 -1.252 356 HA ALA 50 HA ALA 50 -5.852 9.265 -1.666 357 HB1 ALA 50 1HB ALA 50 -7.654 8.648 -0.229 358 HB2 ALA 50 2HB ALA 50 -8.586 10.078 -0.668 359 HB3 ALA 50 3HB ALA 50 -7.127 10.242 0.310 360 H LEU 51 H LEU 51 -8.670 10.972 -2.971 361 HA LEU 51 HA LEU 51 -9.969 8.886 -4.223 362 HB2 LEU 51 2HB LEU 51 -10.791 11.212 -4.135 363 HB3 LEU 51 1HB LEU 51 -9.571 11.676 -5.319 364 HG LEU 51 HG LEU 51 -11.206 9.343 -6.171 365 HD11 LEU 51 1HD1 LEU 51 -12.486 12.045 -5.713 366 HD12 LEU 51 2HD1 LEU 51 -12.996 10.491 -5.055 367 HD13 LEU 51 3HD1 LEU 51 -13.160 10.812 -6.782 368 HD21 LEU 51 3HD2 LEU 51 -10.780 12.011 -7.541 369 HD22 LEU 51 1HD2 LEU 51 -11.122 10.450 -8.290 370 HD23 LEU 51 2HD2 LEU 51 -9.552 10.747 -7.542 371 H SER 52 H SER 52 -7.615 11.046 -5.851 372 HA SER 52 HA SER 52 -7.373 9.387 -8.145 373 HB2 SER 52 2HB SER 52 -6.813 11.893 -7.860 374 HB3 SER 52 1HB SER 52 -5.262 11.331 -7.220 375 HG SER 52 HG SER 52 -4.697 10.900 -9.200 376 H ILE 53 H ILE 53 -5.269 9.893 -5.330 377 HA ILE 53 HA ILE 53 -3.245 8.110 -6.108 378 HB ILE 53 HB ILE 53 -4.155 8.922 -3.344 379 HG12 ILE 53 2HG1 ILE 53 -3.450 10.781 -4.840 380 HG13 ILE 53 1HG1 ILE 53 -2.325 10.536 -3.500 381 HG21 ILE 53 1HG2 ILE 53 -1.452 8.324 -3.166 382 HG22 ILE 53 2HG2 ILE 53 -2.022 7.078 -4.274 383 HG23 ILE 53 3HG2 ILE 53 -2.750 7.239 -2.676 384 HD11 ILE 53 3HD1 ILE 53 -0.795 10.662 -5.209 385 HD12 ILE 53 1HD1 ILE 53 -1.940 10.086 -6.413 386 HD13 ILE 53 2HD1 ILE 53 -1.140 8.941 -5.345 387 H ALA 54 H ALA 54 -5.804 7.535 -3.686 388 HA ALA 54 HA ALA 54 -5.368 4.855 -3.254 389 HB1 ALA 54 1HB ALA 54 -7.075 6.338 -2.121 390 HB2 ALA 54 2HB ALA 54 -7.625 4.704 -2.493 391 HB3 ALA 54 3HB ALA 54 -8.122 6.054 -3.511 392 H ALA 55 H ALA 55 -7.008 6.396 -5.967 393 HA ALA 55 HA ALA 55 -8.164 4.074 -7.103 394 HB1 ALA 55 1HB ALA 55 -8.686 6.432 -7.758 395 HB2 ALA 55 2HB ALA 55 -8.387 5.356 -9.120 396 HB3 ALA 55 3HB ALA 55 -7.141 6.483 -8.600 397 H GLU 56 H GLU 56 -5.176 5.770 -8.130 398 HA GLU 56 HA GLU 56 -4.365 3.821 -9.969 399 HB2 GLU 56 2HB GLU 56 -2.051 4.814 -9.591 400 HB3 GLU 56 1HB GLU 56 -3.317 5.944 -10.070 401 HG2 GLU 56 2HG GLU 56 -3.651 6.552 -7.730 402 HG3 GLU 56 1HG GLU 56 -2.386 5.448 -7.245 403 H LEU 57 H LEU 57 -3.564 4.157 -6.526 404 HA LEU 57 HA LEU 57 -1.679 2.094 -6.314 405 HB2 LEU 57 2HB LEU 57 -3.764 2.987 -4.299 406 HB3 LEU 57 1HB LEU 57 -2.350 2.007 -3.926 407 HG LEU 57 HG LEU 57 -2.233 4.775 -5.128 408 HD11 LEU 57 1HD1 LEU 57 -1.350 5.395 -2.855 409 HD12 LEU 57 2HD1 LEU 57 -1.893 3.816 -2.296 410 HD13 LEU 57 3HD1 LEU 57 -3.065 4.986 -2.899 411 HD21 LEU 57 3HD2 LEU 57 0.180 4.562 -4.282 412 HD22 LEU 57 1HD2 LEU 57 -0.242 3.664 -5.734 413 HD23 LEU 57 2HD2 LEU 57 -0.149 2.839 -4.180 414 H GLU 58 H GLU 58 -5.064 1.806 -5.268 415 HA GLU 58 HA GLU 58 -4.997 -1.010 -5.133 416 HB2 GLU 58 2HB GLU 58 -7.415 -0.904 -5.045 417 HB3 GLU 58 1HB GLU 58 -6.707 0.345 -4.043 418 HG2 GLU 58 2HG GLU 58 -8.104 1.789 -5.190 419 HG3 GLU 58 1HG GLU 58 -6.913 1.663 -6.459 420 H ASP 59 H ASP 59 -5.811 1.154 -7.792 421 HA ASP 59 HA ASP 59 -6.965 -0.724 -9.543 422 HB2 ASP 59 2HB ASP 59 -7.151 1.638 -9.996 423 HB3 ASP 59 1HB ASP 59 -5.401 1.789 -10.120 424 H HIS 60 H HIS 60 -3.709 -0.236 -8.556 425 HA HIS 60 HA HIS 60 -2.523 -1.548 -10.864 426 HB2 HIS 60 2HB HIS 60 -1.536 -0.321 -8.342 427 HB3 HIS 60 1HB HIS 60 -0.534 -1.615 -8.991 428 HD1 HIS 60 1HD HIS 60 -2.527 0.636 -11.227 429 HD2 HIS 60 2HD HIS 60 1.409 0.204 -9.942 430 HE1 HIS 60 1HE HIS 60 -1.128 2.138 -12.707 431 HE2 HIS 60 2HE HIS 60 1.280 1.884 -11.934 432 H LEU 61 H LEU 61 -3.603 -2.498 -7.669 433 HA LEU 61 HA LEU 61 -2.609 -5.241 -8.092 434 HB2 LEU 61 2HB LEU 61 -3.935 -4.118 -5.615 435 HB3 LEU 61 1HB LEU 61 -3.009 -5.601 -5.751 436 HG LEU 61 HG LEU 61 -1.560 -3.985 -4.751 437 HD11 LEU 61 1HD1 LEU 61 -0.766 -3.863 -7.656 438 HD12 LEU 61 2HD1 LEU 61 -0.713 -5.380 -6.756 439 HD13 LEU 61 3HD1 LEU 61 0.273 -4.012 -6.237 440 HD21 LEU 61 3HD2 LEU 61 -1.585 -1.767 -5.198 441 HD22 LEU 61 1HD2 LEU 61 -3.110 -2.099 -5.997 442 HD23 LEU 61 2HD2 LEU 61 -1.623 -2.002 -6.935 443 H ASP 62 H ASP 62 -5.087 -3.737 -9.288 444 HA ASP 62 HA ASP 62 -7.231 -4.270 -9.832 445 HB2 ASP 62 2HB ASP 62 -5.975 -6.985 -9.502 446 HB3 ASP 62 1HB ASP 62 -7.587 -6.725 -10.154 447 H VAL 63 H VAL 63 -7.481 -3.382 -7.446 448 HA VAL 63 HA VAL 63 -9.406 -5.165 -6.156 449 HB VAL 63 HB VAL 63 -8.287 -4.625 -3.894 450 HG11 VAL 63 1HG1 VAL 63 -6.855 -6.554 -4.046 451 HG12 VAL 63 2HG1 VAL 63 -6.762 -6.402 -5.801 452 HG13 VAL 63 3HG1 VAL 63 -8.284 -6.854 -5.033 453 HG21 VAL 63 3HG2 VAL 63 -6.099 -3.905 -5.856 454 HG22 VAL 63 1HG2 VAL 63 -5.739 -4.409 -4.206 455 HG23 VAL 63 2HG2 VAL 63 -6.694 -2.963 -4.495 456 H SER 64 H SER 64 -10.742 -4.051 -4.583 457 HA SER 64 HA SER 64 -10.710 -1.094 -4.902 458 HB2 SER 64 2HB SER 64 -13.165 -1.181 -4.757 459 HB3 SER 64 1HB SER 64 -12.576 -2.095 -6.143 460 HG SER 64 HG SER 64 -13.107 -3.932 -5.177 461 H LEU 65 H LEU 65 -11.114 0.106 -3.091 462 HA LEU 65 HA LEU 65 -11.219 -1.369 -0.512 463 HB2 LEU 65 2HB LEU 65 -10.175 1.435 -0.548 464 HB3 LEU 65 1HB LEU 65 -9.634 0.038 0.387 465 HG LEU 65 HG LEU 65 -8.801 -0.910 -1.863 466 HD11 LEU 65 1HD1 LEU 65 -8.300 1.728 -2.977 467 HD12 LEU 65 2HD1 LEU 65 -10.037 1.465 -2.835 468 HD13 LEU 65 3HD1 LEU 65 -9.045 0.319 -3.731 469 HD21 LEU 65 3HD2 LEU 65 -7.561 1.537 -0.582 470 HD22 LEU 65 1HD2 LEU 65 -6.710 0.487 -1.716 471 HD23 LEU 65 2HD2 LEU 65 -7.260 -0.148 -0.158 472 H ASP 66 H ASP 66 -12.079 0.045 1.289 473 HA ASP 66 HA ASP 66 -14.559 1.251 0.316 474 HB2 ASP 66 2HB ASP 66 -13.899 -0.479 2.521 475 HB3 ASP 66 1HB ASP 66 -14.653 0.985 3.152 476 HA PRO 67 HA PRO 67 -13.623 5.383 1.474 477 HB2 PRO 67 2HB PRO 67 -16.059 5.426 3.221 478 HB3 PRO 67 1HB PRO 67 -15.625 6.486 1.867 479 HG2 PRO 67 2HG PRO 67 -17.507 4.605 1.626 480 HG3 PRO 67 1HG PRO 67 -16.416 5.013 0.289 481 HD2 PRO 67 2HD PRO 67 -16.373 2.624 2.097 482 HD3 PRO 67 1HD PRO 67 -15.964 2.768 0.374 483 H THR 68 H THR 68 -15.296 4.341 4.434 484 HA THR 68 HA THR 68 -13.462 5.569 6.178 485 HB THR 68 HB THR 68 -14.596 4.176 7.935 486 HG1 THR 68 1HG THR 68 -15.334 2.847 5.674 487 HG21 THR 68 3HG2 THR 68 -15.536 6.332 7.300 488 HG22 THR 68 1HG2 THR 68 -16.846 5.181 7.560 489 HG23 THR 68 2HG2 THR 68 -16.354 5.601 5.919 490 H LEU 69 H LEU 69 -13.292 2.656 4.437 491 HA LEU 69 HA LEU 69 -11.627 1.172 6.231 492 HB2 LEU 69 2HB LEU 69 -12.945 0.118 4.451 493 HB3 LEU 69 1HB LEU 69 -11.945 0.905 3.231 494 HG LEU 69 HG LEU 69 -10.739 -0.824 5.401 495 HD11 LEU 69 1HD1 LEU 69 -12.391 -2.205 4.281 496 HD12 LEU 69 2HD1 LEU 69 -10.772 -2.692 3.772 497 HD13 LEU 69 3HD1 LEU 69 -11.776 -1.711 2.702 498 HD21 LEU 69 3HD2 LEU 69 -9.219 -1.106 3.096 499 HD22 LEU 69 1HD2 LEU 69 -8.867 0.018 4.409 500 HD23 LEU 69 2HD2 LEU 69 -9.746 0.573 2.980 501 H ILE 70 H ILE 70 -10.992 3.267 3.433 502 HA ILE 70 HA ILE 70 -8.228 2.920 3.259 503 HB ILE 70 HB ILE 70 -9.963 5.326 2.681 504 HG12 ILE 70 2HG1 ILE 70 -8.538 3.455 0.774 505 HG13 ILE 70 1HG1 ILE 70 -10.167 3.136 1.350 506 HG21 ILE 70 1HG2 ILE 70 -7.007 4.871 2.263 507 HG22 ILE 70 2HG2 ILE 70 -7.803 6.254 3.014 508 HG23 ILE 70 3HG2 ILE 70 -7.921 6.009 1.271 509 HD11 ILE 70 3HD1 ILE 70 -10.794 5.463 0.523 510 HD12 ILE 70 1HD1 ILE 70 -10.405 4.293 -0.737 511 HD13 ILE 70 2HD1 ILE 70 -9.216 5.511 -0.269 512 H TRP 71 H TRP 71 -10.145 5.038 5.341 513 HA TRP 71 HA TRP 71 -7.803 6.236 6.550 514 HB2 TRP 71 2HB TRP 71 -10.763 6.375 7.149 515 HB3 TRP 71 1HB TRP 71 -9.554 7.174 8.153 516 HD1 TRP 71 HD TRP 71 -11.612 7.707 5.157 517 HE1 TRP 71 1HE TRP 71 -10.809 9.779 3.848 518 HE3 TRP 71 3HE TRP 71 -7.099 8.493 7.424 519 HZ2 TRP 71 2HZ TRP 71 -8.548 11.532 3.768 520 HZ3 TRP 71 3HZ TRP 71 -5.646 10.365 6.714 521 HH2 TRP 71 HH TRP 71 -6.361 11.887 4.895 522 H ASP 72 H ASP 72 -9.278 3.265 6.805 523 HA ASP 72 HA ASP 72 -8.911 2.911 9.677 524 HB2 ASP 72 2HB ASP 72 -10.772 1.827 8.322 525 HB3 ASP 72 1HB ASP 72 -9.535 0.760 7.649 526 H HIS 73 H HIS 73 -7.399 1.916 6.644 527 HA HIS 73 HA HIS 73 -5.098 0.831 8.185 528 HB2 HIS 73 2HB HIS 73 -5.850 0.168 5.334 529 HB3 HIS 73 1HB HIS 73 -4.657 -0.643 6.358 530 HD1 HIS 73 1HD HIS 73 -6.631 -0.545 8.929 531 HD2 HIS 73 2HD HIS 73 -7.489 -2.142 5.176 532 HE1 HIS 73 1HE HIS 73 -8.502 -2.218 9.270 533 HE2 HIS 73 2HE HIS 73 -9.026 -3.208 6.993 534 HA PRO 74 HA PRO 74 -3.797 4.614 5.688 535 HB2 PRO 74 2HB PRO 74 -2.949 6.159 7.791 536 HB3 PRO 74 1HB PRO 74 -4.625 6.154 7.208 537 HG2 PRO 74 2HG PRO 74 -3.437 4.717 9.543 538 HG3 PRO 74 1HG PRO 74 -4.977 5.588 9.421 539 HD2 PRO 74 2HD PRO 74 -4.827 2.866 9.245 540 HD3 PRO 74 1HD PRO 74 -6.043 3.841 8.388 541 H THR 75 H THR 75 -2.491 2.290 7.692 542 HA THR 75 HA THR 75 0.304 3.189 7.239 543 HB THR 75 HB THR 75 0.827 1.410 8.981 544 HG1 THR 75 1HG THR 75 -0.908 0.210 9.260 545 HG21 THR 75 3HG2 THR 75 0.855 3.781 9.538 546 HG22 THR 75 1HG2 THR 75 0.096 2.889 10.857 547 HG23 THR 75 2HG2 THR 75 -0.900 3.791 9.715 548 H ILE 76 H ILE 76 1.854 1.550 6.683 549 HA ILE 76 HA ILE 76 0.982 -0.052 4.492 550 HB ILE 76 HB ILE 76 3.639 0.098 5.920 551 HG12 ILE 76 2HG1 ILE 76 2.568 1.241 3.320 552 HG13 ILE 76 1HG1 ILE 76 3.051 2.148 4.750 553 HG21 ILE 76 1HG2 ILE 76 4.532 -1.124 3.936 554 HG22 ILE 76 2HG2 ILE 76 2.886 -1.336 3.347 555 HG23 ILE 76 3HG2 ILE 76 3.399 -2.113 4.839 556 HD11 ILE 76 3HD1 ILE 76 5.341 0.697 4.221 557 HD12 ILE 76 1HD1 ILE 76 5.055 2.350 3.674 558 HD13 ILE 76 2HD1 ILE 76 4.712 0.995 2.606 559 H ASP 77 H ASP 77 1.970 -0.749 7.811 560 HA ASP 77 HA ASP 77 2.161 -3.506 7.710 561 HB2 ASP 77 2HB ASP 77 2.713 -2.217 9.711 562 HB3 ASP 77 1HB ASP 77 1.018 -1.782 9.920 563 H ALA 78 H ALA 78 -0.775 -1.558 8.361 564 HA ALA 78 HA ALA 78 -2.502 -3.806 8.506 565 HB1 ALA 78 1HB ALA 78 -3.182 -1.752 9.550 566 HB2 ALA 78 2HB ALA 78 -4.299 -2.050 8.221 567 HB3 ALA 78 3HB ALA 78 -3.014 -0.855 8.040 568 H LEU 79 H LEU 79 -1.823 -1.441 5.937 569 HA LEU 79 HA LEU 79 -3.639 -2.441 4.085 570 HB2 LEU 79 2HB LEU 79 -1.936 -0.332 4.102 571 HB3 LEU 79 1HB LEU 79 -1.042 -1.402 3.042 572 HG LEU 79 HG LEU 79 -2.469 -0.074 1.641 573 HD11 LEU 79 1HD1 LEU 79 -3.535 -1.740 0.397 574 HD12 LEU 79 2HD1 LEU 79 -4.080 -2.613 1.830 575 HD13 LEU 79 3HD1 LEU 79 -2.398 -2.691 1.343 576 HD21 LEU 79 3HD2 LEU 79 -5.025 -1.000 2.913 577 HD22 LEU 79 1HD2 LEU 79 -4.643 0.543 2.156 578 HD23 LEU 79 2HD2 LEU 79 -4.112 0.217 3.802 579 H SER 80 H SER 80 -0.219 -3.253 4.571 580 HA SER 80 HA SER 80 0.037 -5.077 2.455 581 HB2 SER 80 2HB SER 80 1.970 -4.204 3.673 582 HB3 SER 80 1HB SER 80 1.439 -5.025 5.138 583 HG SER 80 HG SER 80 2.571 -6.625 4.382 584 H THR 81 H THR 81 -0.801 -5.596 5.874 585 HA THR 81 HA THR 81 -1.052 -8.367 5.862 586 HB THR 81 HB THR 81 -2.689 -6.324 7.374 587 HG1 THR 81 1HG THR 81 -0.186 -6.894 7.499 588 HG21 THR 81 3HG2 THR 81 -3.903 -8.377 7.462 589 HG22 THR 81 1HG2 THR 81 -2.986 -8.295 8.966 590 HG23 THR 81 2HG2 THR 81 -2.426 -9.321 7.644 591 H ALA 82 H ALA 82 -3.403 -5.897 4.918 592 HA ALA 82 HA ALA 82 -5.538 -7.713 4.407 593 HB1 ALA 82 1HB ALA 82 -6.573 -5.820 3.220 594 HB2 ALA 82 2HB ALA 82 -5.047 -4.940 3.294 595 HB3 ALA 82 3HB ALA 82 -5.921 -5.314 4.779 596 H LEU 83 H LEU 83 -2.965 -6.307 2.348 597 HA LEU 83 HA LEU 83 -3.979 -7.230 -0.092 598 HB2 LEU 83 2HB LEU 83 -1.967 -5.579 0.574 599 HB3 LEU 83 1HB LEU 83 -1.011 -7.041 0.331 600 HG LEU 83 HG LEU 83 -2.908 -5.790 -1.668 601 HD11 LEU 83 1HD1 LEU 83 -0.584 -4.760 -1.192 602 HD12 LEU 83 2HD1 LEU 83 -0.976 -5.152 -2.864 603 HD13 LEU 83 3HD1 LEU 83 0.057 -6.221 -1.931 604 HD21 LEU 83 3HD2 LEU 83 -3.045 -8.131 -2.016 605 HD22 LEU 83 1HD2 LEU 83 -1.335 -8.371 -1.641 606 HD23 LEU 83 2HD2 LEU 83 -1.806 -7.596 -3.156 607 H VAL 84 H VAL 84 -1.441 -8.643 2.024 608 HA VAL 84 HA VAL 84 -1.019 -10.948 0.493 609 HB VAL 84 HB VAL 84 0.460 -10.219 2.331 610 HG11 VAL 84 1HG1 VAL 84 -0.210 -10.575 4.658 611 HG12 VAL 84 2HG1 VAL 84 -1.797 -11.136 4.133 612 HG13 VAL 84 3HG1 VAL 84 -1.310 -9.468 3.851 613 HG21 VAL 84 3HG2 VAL 84 0.775 -12.493 1.747 614 HG22 VAL 84 1HG2 VAL 84 -0.747 -12.992 2.481 615 HG23 VAL 84 2HG2 VAL 84 0.599 -12.516 3.499 616 H ALA 85 H ALA 85 -3.480 -10.124 2.879 617 HA ALA 85 HA ALA 85 -4.496 -12.699 3.359 618 HB1 ALA 85 1HB ALA 85 -5.099 -10.537 4.546 619 HB2 ALA 85 2HB ALA 85 -6.452 -11.609 4.174 620 HB3 ALA 85 3HB ALA 85 -6.148 -10.188 3.171 621 H GLU 86 H GLU 86 -5.120 -10.369 0.777 622 HA GLU 86 HA GLU 86 -7.296 -11.697 -0.425 623 HB2 GLU 86 2HB GLU 86 -7.112 -10.091 -2.066 624 HB3 GLU 86 1HB GLU 86 -6.018 -9.347 -0.901 625 HG2 GLU 86 2HG GLU 86 -4.792 -9.327 -2.898 626 HG3 GLU 86 1HG GLU 86 -4.170 -10.734 -2.045 627 H LEU 87 H LEU 87 -3.915 -12.372 -0.426 628 HA LEU 87 HA LEU 87 -3.932 -14.021 -2.782 629 HB2 LEU 87 2HB LEU 87 -1.858 -12.900 -2.128 630 HB3 LEU 87 1HB LEU 87 -1.852 -13.757 -0.590 631 HG LEU 87 HG LEU 87 -1.627 -15.901 -1.764 632 HD11 LEU 87 1HD1 LEU 87 -1.034 -15.601 -4.325 633 HD12 LEU 87 2HD1 LEU 87 -1.999 -14.130 -4.170 634 HD13 LEU 87 3HD1 LEU 87 -2.720 -15.700 -3.819 635 HD21 LEU 87 3HD2 LEU 87 0.443 -14.886 -1.186 636 HD22 LEU 87 1HD2 LEU 87 0.320 -13.715 -2.500 637 HD23 LEU 87 2HD2 LEU 87 0.629 -15.415 -2.860 638 H ARG 88 H ARG 88 -4.631 -14.437 0.553 639 HA ARG 88 HA ARG 88 -4.260 -17.315 0.542 640 HB2 ARG 88 2HB ARG 88 -5.399 -15.379 2.566 641 HB3 ARG 88 1HB ARG 88 -5.324 -17.124 2.824 642 HG2 ARG 88 2HG ARG 88 -2.885 -17.078 2.516 643 HG3 ARG 88 1HG ARG 88 -2.949 -15.339 2.226 644 HD2 ARG 88 2HD ARG 88 -3.855 -14.978 4.478 645 HD3 ARG 88 1HD ARG 88 -3.841 -16.713 4.775 646 HE ARG 88 HE ARG 88 -1.243 -15.941 4.044 647 HH11 ARG 88 1HH2 ARG 88 -3.570 -15.449 6.558 648 HH12 ARG 88 2HH2 ARG 88 -2.384 -15.199 7.796 649 HH21 ARG 88 1HH1 ARG 88 0.317 -15.617 5.662 650 HH22 ARG 88 2HH1 ARG 88 -0.184 -15.295 7.289 651 H SER 89 H SER 89 -6.988 -16.707 2.288 652 HA SER 89 HA SER 89 -8.914 -17.015 0.115 653 HB2 SER 89 2HB SER 89 -9.808 -19.111 0.957 654 HB3 SER 89 1HB SER 89 -8.101 -19.321 0.578 655 HG SER 89 HG SER 89 -7.720 -18.866 2.851 656 H ALA 90 H ALA 90 -10.359 -18.372 2.661 657 HA ALA 90 HA ALA 90 -11.924 -17.651 4.178 658 HB1 ALA 90 1HB ALA 90 -10.082 -15.283 4.557 659 HB2 ALA 90 2HB ALA 90 -9.801 -16.864 5.286 660 HB3 ALA 90 3HB ALA 90 -11.239 -15.939 5.715 Start of MODEL 27 1 H1 GLY 1 1HT GLY 1 -0.295 -2.761 -17.677 2 H2 GLY 1 2HT GLY 1 -1.047 -2.496 -19.177 3 H3 GLY 1 3HT GLY 1 -0.475 -1.181 -18.266 4 HA2 GLY 1 2HA GLY 1 0.888 -2.698 -20.197 5 HA3 GLY 1 1HA GLY 1 1.460 -1.289 -19.303 6 H HIS 2 H HIS 2 1.866 -4.594 -19.792 7 HA HIS 2 HA HIS 2 3.163 -6.205 -18.794 8 HB2 HIS 2 2HB HIS 2 4.923 -4.535 -19.135 9 HB3 HIS 2 1HB HIS 2 4.507 -3.765 -17.605 10 HD1 HIS 2 1HD HIS 2 5.603 -7.198 -18.865 11 HD2 HIS 2 2HD HIS 2 5.885 -4.820 -15.452 12 HE1 HIS 2 1HE HIS 2 7.086 -8.451 -17.239 13 HE2 HIS 2 2HE HIS 2 7.267 -7.015 -15.153 14 H MET 3 H MET 3 3.372 -3.865 -16.145 15 HA MET 3 HA MET 3 2.761 -3.999 -13.936 16 HB2 MET 3 2HB MET 3 0.486 -4.028 -14.996 17 HB3 MET 3 1HB MET 3 0.539 -5.788 -14.942 18 HG2 MET 3 2HG MET 3 0.765 -5.752 -12.514 19 HG3 MET 3 1HG MET 3 0.844 -3.993 -12.521 20 HE1 MET 3 3HE MET 3 -2.647 -6.778 -13.288 21 HE2 MET 3 1HE MET 3 -0.910 -7.079 -13.417 22 HE3 MET 3 2HE MET 3 -1.775 -6.317 -14.747 23 H SER 4 H SER 4 3.271 -5.229 -12.166 24 HA SER 4 HA SER 4 4.798 -7.572 -12.546 25 HB2 SER 4 2HB SER 4 3.529 -6.460 -10.033 26 HB3 SER 4 1HB SER 4 4.729 -7.748 -10.066 27 HG SER 4 HG SER 4 5.416 -5.534 -11.533 28 H ASP 5 H ASP 5 4.331 -9.724 -12.304 29 HA ASP 5 HA ASP 5 1.739 -10.599 -11.350 30 HB2 ASP 5 2HB ASP 5 2.568 -10.882 -14.239 31 HB3 ASP 5 1HB ASP 5 1.339 -11.890 -13.488 32 H LEU 6 H LEU 6 3.375 -11.458 -9.833 33 HA LEU 6 HA LEU 6 5.330 -13.327 -10.516 34 HB2 LEU 6 2HB LEU 6 3.664 -13.017 -8.006 35 HB3 LEU 6 1HB LEU 6 4.994 -14.163 -8.139 36 HG LEU 6 HG LEU 6 5.349 -11.237 -8.763 37 HD11 LEU 6 1HD1 LEU 6 6.277 -11.032 -6.474 38 HD12 LEU 6 2HD1 LEU 6 5.787 -12.692 -6.135 39 HD13 LEU 6 3HD1 LEU 6 4.566 -11.457 -6.442 40 HD21 LEU 6 3HD2 LEU 6 7.754 -12.045 -7.986 41 HD22 LEU 6 1HD2 LEU 6 7.202 -12.390 -9.616 42 HD23 LEU 6 2HD2 LEU 6 7.138 -13.648 -8.383 43 H SER 7 H SER 7 3.807 -15.258 -8.485 44 HA SER 7 HA SER 7 2.693 -16.934 -10.645 45 HB2 SER 7 2HB SER 7 3.426 -18.791 -9.480 46 HB3 SER 7 1HB SER 7 4.665 -17.617 -9.017 47 HG SER 7 HG SER 7 3.915 -17.637 -7.047 48 H THR 8 H THR 8 0.981 -14.987 -9.853 49 HA THR 8 HA THR 8 -1.072 -14.541 -8.955 50 HB THR 8 HB THR 8 -2.561 -16.567 -8.893 51 HG1 THR 8 1HG THR 8 -0.908 -18.074 -8.455 52 HG21 THR 8 3HG2 THR 8 -2.385 -15.187 -10.897 53 HG22 THR 8 1HG2 THR 8 -2.490 -16.887 -11.356 54 HG23 THR 8 2HG2 THR 8 -0.933 -16.061 -11.384 55 H ALA 9 H ALA 9 1.274 -15.673 -7.185 56 HA ALA 9 HA ALA 9 -0.305 -15.628 -4.712 57 HB1 ALA 9 1HB ALA 9 0.795 -17.615 -3.828 58 HB2 ALA 9 2HB ALA 9 1.655 -17.836 -5.356 59 HB3 ALA 9 3HB ALA 9 -0.097 -18.010 -5.298 60 HA PRO 10 HA PRO 10 3.747 -13.110 -5.018 61 HB2 PRO 10 2HB PRO 10 1.842 -11.438 -3.431 62 HB3 PRO 10 1HB PRO 10 3.056 -10.923 -4.624 63 HG2 PRO 10 2HG PRO 10 0.441 -11.032 -5.214 64 HG3 PRO 10 1HG PRO 10 1.693 -11.416 -6.411 65 HD2 PRO 10 2HD PRO 10 -0.192 -13.251 -5.033 66 HD3 PRO 10 1HD PRO 10 0.686 -13.464 -6.559 67 H THR 11 H THR 11 4.826 -12.072 -2.994 68 HA THR 11 HA THR 11 4.292 -13.775 -0.611 69 HB THR 11 HB THR 11 6.972 -12.696 -1.502 70 HG1 THR 11 1HG THR 11 6.900 -14.278 -2.866 71 HG21 THR 11 3HG2 THR 11 7.763 -14.429 0.134 72 HG22 THR 11 1HG2 THR 11 6.081 -14.681 0.600 73 HG23 THR 11 2HG2 THR 11 6.845 -13.118 0.875 74 H LEU 12 H LEU 12 4.711 -12.843 1.413 75 HA LEU 12 HA LEU 12 3.672 -10.336 1.855 76 HB2 LEU 12 2HB LEU 12 5.633 -11.999 3.457 77 HB3 LEU 12 1HB LEU 12 5.073 -10.439 4.052 78 HG LEU 12 HG LEU 12 2.702 -11.276 3.699 79 HD11 LEU 12 1HD1 LEU 12 4.254 -13.844 3.270 80 HD12 LEU 12 2HD1 LEU 12 3.057 -13.124 2.203 81 HD13 LEU 12 3HD1 LEU 12 2.558 -13.827 3.735 82 HD21 LEU 12 3HD2 LEU 12 2.713 -12.607 5.782 83 HD22 LEU 12 1HD2 LEU 12 3.733 -11.177 5.923 84 HD23 LEU 12 2HD2 LEU 12 4.465 -12.761 5.665 85 H ASP 13 H ASP 13 7.068 -11.202 1.390 86 HA ASP 13 HA ASP 13 8.142 -8.649 1.914 87 HB2 ASP 13 2HB ASP 13 9.355 -10.542 -0.078 88 HB3 ASP 13 1HB ASP 13 10.161 -9.461 1.042 89 H SER 14 H SER 14 7.019 -10.148 -1.114 90 HA SER 14 HA SER 14 7.866 -8.077 -2.830 91 HB2 SER 14 2HB SER 14 6.289 -9.050 -4.419 92 HB3 SER 14 1HB SER 14 7.297 -10.278 -3.665 93 HG SER 14 HG SER 14 4.871 -10.578 -3.778 94 H LEU 15 H LEU 15 4.864 -8.607 -1.031 95 HA LEU 15 HA LEU 15 3.530 -6.321 -2.134 96 HB2 LEU 15 2HB LEU 15 3.044 -8.157 0.194 97 HB3 LEU 15 1HB LEU 15 2.054 -6.712 0.005 98 HG LEU 15 HG LEU 15 1.132 -7.456 -2.010 99 HD11 LEU 15 1HD1 LEU 15 2.044 -9.338 -3.298 100 HD12 LEU 15 2HD1 LEU 15 3.372 -9.461 -2.175 101 HD13 LEU 15 3HD1 LEU 15 3.202 -8.062 -3.207 102 HD21 LEU 15 3HD2 LEU 15 1.676 -9.973 -0.419 103 HD22 LEU 15 1HD2 LEU 15 0.364 -9.753 -1.573 104 HD23 LEU 15 2HD2 LEU 15 0.400 -8.819 -0.065 105 H ARG 16 H ARG 16 4.508 -6.857 1.215 106 HA ARG 16 HA ARG 16 4.326 -4.402 2.263 107 HB2 ARG 16 2HB ARG 16 5.290 -6.227 3.531 108 HB3 ARG 16 1HB ARG 16 6.714 -6.235 2.499 109 HG2 ARG 16 2HG ARG 16 6.094 -3.589 3.735 110 HG3 ARG 16 1HG ARG 16 6.543 -4.841 4.885 111 HD2 ARG 16 2HD ARG 16 8.571 -5.315 3.455 112 HD3 ARG 16 1HD ARG 16 8.159 -3.916 2.495 113 HE ARG 16 HE ARG 16 8.869 -2.546 4.221 114 HH11 ARG 16 1HH2 ARG 16 8.570 -5.845 5.229 115 HH12 ARG 16 2HH2 ARG 16 9.359 -5.596 6.750 116 HH21 ARG 16 1HH1 ARG 16 9.905 -2.213 6.211 117 HH22 ARG 16 2HH1 ARG 16 10.116 -3.539 7.306 118 H VAL 17 H VAL 17 7.184 -5.427 0.357 119 HA VAL 17 HA VAL 17 8.460 -2.923 0.333 120 HB VAL 17 HB VAL 17 9.780 -3.812 -1.502 121 HG11 VAL 17 1HG1 VAL 17 10.600 -4.827 0.417 122 HG12 VAL 17 2HG1 VAL 17 10.079 -6.287 -0.434 123 HG13 VAL 17 3HG1 VAL 17 9.067 -5.581 0.826 124 HG21 VAL 17 3HG2 VAL 17 7.533 -5.732 -1.674 125 HG22 VAL 17 1HG2 VAL 17 9.074 -6.126 -2.386 126 HG23 VAL 17 2HG2 VAL 17 8.145 -4.731 -2.962 127 H TRP 18 H TRP 18 6.016 -4.349 -1.790 128 HA TRP 18 HA TRP 18 6.111 -2.426 -3.844 129 HB2 TRP 18 2HB TRP 18 4.428 -3.719 -4.683 130 HB3 TRP 18 1HB TRP 18 4.550 -4.664 -3.221 131 HD1 TRP 18 HD TRP 18 2.579 -4.424 -1.460 132 HE1 TRP 18 1HE TRP 18 0.426 -3.171 -1.376 133 HE3 TRP 18 3HE TRP 18 3.227 -1.411 -5.520 134 HZ2 TRP 18 2HZ TRP 18 -0.926 -1.127 -2.841 135 HZ3 TRP 18 3HZ TRP 18 1.473 0.178 -6.149 136 HH2 TRP 18 HH TRP 18 -0.606 0.307 -4.790 137 H LEU 19 H LEU 19 4.047 -2.546 -0.934 138 HA LEU 19 HA LEU 19 2.616 -0.197 -1.390 139 HB2 LEU 19 2HB LEU 19 3.245 -1.945 0.897 140 HB3 LEU 19 1HB LEU 19 3.004 -0.280 1.393 141 HG LEU 19 HG LEU 19 0.952 -1.264 -0.539 142 HD11 LEU 19 1HD1 LEU 19 1.321 -3.281 0.804 143 HD12 LEU 19 2HD1 LEU 19 -0.251 -2.550 1.069 144 HD13 LEU 19 3HD1 LEU 19 1.031 -2.334 2.263 145 HD21 LEU 19 3HD2 LEU 19 0.552 -0.013 2.162 146 HD22 LEU 19 1HD2 LEU 19 -0.438 0.116 0.715 147 HD23 LEU 19 2HD2 LEU 19 1.096 0.956 0.792 148 H VAL 20 H VAL 20 5.486 -0.514 0.742 149 HA VAL 20 HA VAL 20 5.812 2.225 1.160 150 HB VAL 20 HB VAL 20 7.015 0.603 2.497 151 HG11 VAL 20 1HG1 VAL 20 8.677 -0.098 0.064 152 HG12 VAL 20 2HG1 VAL 20 7.240 -1.001 0.511 153 HG13 VAL 20 3HG1 VAL 20 8.601 -0.932 1.616 154 HG21 VAL 20 3HG2 VAL 20 9.083 1.709 2.619 155 HG22 VAL 20 1HG2 VAL 20 8.079 2.905 1.800 156 HG23 VAL 20 2HG2 VAL 20 9.195 1.908 0.869 157 H ASP 21 H ASP 21 7.362 0.140 -1.291 158 HA ASP 21 HA ASP 21 8.898 2.122 -2.526 159 HB2 ASP 21 2HB ASP 21 7.636 -0.415 -3.575 160 HB3 ASP 21 1HB ASP 21 8.676 0.593 -4.574 161 H CYS 22 H CYS 22 5.511 1.243 -2.940 162 HA CYS 22 HA CYS 22 4.959 2.687 -5.285 163 HB2 CYS 22 2HB CYS 22 3.452 1.050 -3.964 164 HB3 CYS 22 1HB CYS 22 2.981 2.458 -3.025 165 HG CYS 22 HG CYS 22 2.494 2.128 -6.091 166 H VAL 23 H VAL 23 4.631 3.666 -1.866 167 HA VAL 23 HA VAL 23 3.780 6.312 -2.381 168 HB VAL 23 HB VAL 23 5.434 5.367 -0.051 169 HG11 VAL 23 1HG1 VAL 23 3.236 7.414 0.095 170 HG12 VAL 23 2HG1 VAL 23 4.793 7.916 -0.544 171 HG13 VAL 23 3HG1 VAL 23 4.684 7.265 1.081 172 HG21 VAL 23 3HG2 VAL 23 2.464 5.175 -0.575 173 HG22 VAL 23 1HG2 VAL 23 3.182 4.976 1.032 174 HG23 VAL 23 2HG2 VAL 23 3.580 3.844 -0.273 175 H ALA 24 H ALA 24 7.060 5.027 -1.715 176 HA ALA 24 HA ALA 24 8.540 7.339 -1.785 177 HB1 ALA 24 1HB ALA 24 9.456 5.069 -1.370 178 HB2 ALA 24 2HB ALA 24 10.412 5.978 -2.539 179 HB3 ALA 24 3HB ALA 24 9.306 4.721 -3.092 180 H GLY 25 H GLY 25 7.691 5.322 -4.596 181 HA2 GLY 25 2HA GLY 25 8.803 7.014 -6.558 182 HA3 GLY 25 1HA GLY 25 7.519 5.842 -6.840 183 H HIS 26 H HIS 26 5.495 6.837 -5.235 184 HA HIS 26 HA HIS 26 4.263 8.700 -6.883 185 HB2 HIS 26 2HB HIS 26 3.811 8.040 -3.967 186 HB3 HIS 26 1HB HIS 26 2.755 9.116 -4.877 187 HD1 HIS 26 1HD HIS 26 3.073 7.385 -7.583 188 HD2 HIS 26 2HD HIS 26 1.854 5.965 -3.858 189 HE1 HIS 26 1HE HIS 26 1.748 5.273 -8.022 190 HE2 HIS 26 2HE HIS 26 1.003 4.397 -5.761 191 H LEU 27 H LEU 27 5.742 9.333 -3.667 192 HA LEU 27 HA LEU 27 5.584 12.200 -4.113 193 HB2 LEU 27 2HB LEU 27 6.925 10.661 -1.878 194 HB3 LEU 27 1HB LEU 27 6.505 12.372 -1.879 195 HG LEU 27 HG LEU 27 4.521 10.090 -2.101 196 HD11 LEU 27 1HD1 LEU 27 3.817 10.962 0.182 197 HD12 LEU 27 2HD1 LEU 27 5.302 11.914 0.190 198 HD13 LEU 27 3HD1 LEU 27 5.387 10.152 0.148 199 HD21 LEU 27 3HD2 LEU 27 3.489 11.887 -3.191 200 HD22 LEU 27 1HD2 LEU 27 4.292 13.096 -2.189 201 HD23 LEU 27 2HD2 LEU 27 2.960 12.143 -1.531 202 H GLY 28 H GLY 28 8.053 9.700 -4.087 203 HA2 GLY 28 2HA GLY 28 9.978 9.792 -5.485 204 HA3 GLY 28 1HA GLY 28 9.897 11.548 -5.446 205 H LEU 29 H LEU 29 9.288 10.762 -2.363 206 HA LEU 29 HA LEU 29 11.850 11.533 -1.416 207 HB2 LEU 29 2HB LEU 29 9.671 10.168 0.178 208 HB3 LEU 29 1HB LEU 29 10.932 11.244 0.777 209 HG LEU 29 HG LEU 29 8.730 12.037 -1.149 210 HD11 LEU 29 1HD1 LEU 29 7.949 11.612 1.176 211 HD12 LEU 29 2HD1 LEU 29 7.833 13.316 0.734 212 HD13 LEU 29 3HD1 LEU 29 9.151 12.761 1.767 213 HD21 LEU 29 3HD2 LEU 29 9.644 14.371 -0.451 214 HD22 LEU 29 1HD2 LEU 29 10.573 13.441 -1.624 215 HD23 LEU 29 2HD2 LEU 29 11.085 13.493 0.064 216 H ASP 30 H ASP 30 12.645 10.029 0.580 217 HA ASP 30 HA ASP 30 13.721 7.674 -0.748 218 HB2 ASP 30 2HB ASP 30 14.204 9.019 1.903 219 HB3 ASP 30 1HB ASP 30 14.884 7.431 1.557 220 H ALA 31 H ALA 31 13.025 5.658 -0.540 221 HA ALA 31 HA ALA 31 10.622 4.993 0.720 222 HB1 ALA 31 1HB ALA 31 12.864 3.293 -0.290 223 HB2 ALA 31 2HB ALA 31 11.321 3.643 -1.074 224 HB3 ALA 31 3HB ALA 31 11.366 2.628 0.366 225 H ALA 32 H ALA 32 13.953 4.779 1.821 226 HA ALA 32 HA ALA 32 13.463 3.155 4.080 227 HB1 ALA 32 1HB ALA 32 15.678 5.084 3.381 228 HB2 ALA 32 2HB ALA 32 15.703 3.324 3.280 229 HB3 ALA 32 3HB ALA 32 15.679 4.118 4.855 230 H THR 33 H THR 33 12.591 6.335 3.423 231 HA THR 33 HA THR 33 11.971 6.788 6.275 232 HB THR 33 HB THR 33 12.557 9.300 5.656 233 HG1 THR 33 1HG THR 33 14.045 9.494 4.106 234 HG21 THR 33 3HG2 THR 33 13.676 8.144 7.448 235 HG22 THR 33 1HG2 THR 33 14.927 8.850 6.425 236 HG23 THR 33 2HG2 THR 33 14.564 7.127 6.312 237 H ILE 34 H ILE 34 10.326 5.866 4.109 238 HA ILE 34 HA ILE 34 8.777 8.101 3.184 239 HB ILE 34 HB ILE 34 8.624 5.119 3.019 240 HG12 ILE 34 2HG1 ILE 34 9.555 6.744 1.282 241 HG13 ILE 34 1HG1 ILE 34 8.378 5.573 0.670 242 HG21 ILE 34 1HG2 ILE 34 6.268 5.411 1.996 243 HG22 ILE 34 2HG2 ILE 34 6.187 6.900 2.910 244 HG23 ILE 34 3HG2 ILE 34 6.374 5.352 3.730 245 HD11 ILE 34 3HD1 ILE 34 8.276 8.303 0.297 246 HD12 ILE 34 1HD1 ILE 34 7.177 8.104 1.651 247 HD13 ILE 34 2HD1 ILE 34 6.901 7.215 0.167 248 H ALA 35 H ALA 35 7.625 5.384 5.162 249 HA ALA 35 HA ALA 35 6.863 6.648 7.458 250 HB1 ALA 35 1HB ALA 35 5.004 7.252 5.187 251 HB2 ALA 35 2HB ALA 35 5.478 8.270 6.551 252 HB3 ALA 35 3HB ALA 35 4.309 6.986 6.782 253 H THR 36 H THR 36 7.314 4.021 5.911 254 HA THR 36 HA THR 36 5.316 2.252 5.843 255 HB THR 36 HB THR 36 6.868 0.548 6.339 256 HG1 THR 36 1HG THR 36 8.394 0.744 7.877 257 HG21 THR 36 3HG2 THR 36 8.734 2.861 5.787 258 HG22 THR 36 1HG2 THR 36 7.616 2.255 4.565 259 HG23 THR 36 2HG2 THR 36 8.861 1.194 5.223 260 H ASP 37 H ASP 37 6.653 3.632 8.839 261 HA ASP 37 HA ASP 37 4.734 2.084 10.431 262 HB2 ASP 37 2HB ASP 37 5.976 3.147 12.338 263 HB3 ASP 37 1HB ASP 37 6.977 2.128 11.306 264 H LEU 38 H LEU 38 5.197 5.205 9.055 265 HA LEU 38 HA LEU 38 3.257 6.427 10.867 266 HB2 LEU 38 2HB LEU 38 5.200 7.494 8.850 267 HB3 LEU 38 1HB LEU 38 3.856 8.499 9.340 268 HG LEU 38 HG LEU 38 5.548 7.130 11.439 269 HD11 LEU 38 1HD1 LEU 38 7.041 9.084 11.476 270 HD12 LEU 38 2HD1 LEU 38 6.216 9.745 10.062 271 HD13 LEU 38 3HD1 LEU 38 7.137 8.246 9.925 272 HD21 LEU 38 3HD2 LEU 38 3.604 8.237 12.284 273 HD22 LEU 38 1HD2 LEU 38 3.875 9.649 11.263 274 HD23 LEU 38 2HD2 LEU 38 4.948 9.319 12.615 275 HA PRO 39 HA PRO 39 -0.086 6.059 8.023 276 HB2 PRO 39 2HB PRO 39 -1.450 8.409 8.520 277 HB3 PRO 39 1HB PRO 39 -1.469 7.010 9.610 278 HG2 PRO 39 2HG PRO 39 0.156 9.513 9.774 279 HG3 PRO 39 1HG PRO 39 -0.663 8.614 11.065 280 HD2 PRO 39 2HD PRO 39 1.992 8.411 10.638 281 HD3 PRO 39 1HD PRO 39 1.038 7.048 11.241 282 H LEU 40 H LEU 40 -1.303 7.449 6.308 283 HA LEU 40 HA LEU 40 0.643 8.428 4.452 284 HB2 LEU 40 2HB LEU 40 -1.150 8.591 2.888 285 HB3 LEU 40 1HB LEU 40 -1.432 7.129 3.826 286 HG LEU 40 HG LEU 40 -2.724 9.804 4.454 287 HD11 LEU 40 1HD1 LEU 40 -4.145 7.438 3.309 288 HD12 LEU 40 2HD1 LEU 40 -3.364 8.605 2.247 289 HD13 LEU 40 3HD1 LEU 40 -4.637 9.131 3.346 290 HD21 LEU 40 3HD2 LEU 40 -2.709 8.573 6.445 291 HD22 LEU 40 1HD2 LEU 40 -2.884 7.035 5.603 292 HD23 LEU 40 2HD2 LEU 40 -4.251 8.136 5.733 293 H THR 41 H THR 41 -1.490 9.839 6.770 294 HA THR 41 HA THR 41 -1.925 12.378 5.777 295 HB THR 41 HB THR 41 -1.884 13.089 8.217 296 HG1 THR 41 1HG THR 41 -1.026 11.770 9.586 297 HG21 THR 41 3HG2 THR 41 -3.465 10.622 7.442 298 HG22 THR 41 1HG2 THR 41 -3.930 12.295 7.128 299 HG23 THR 41 2HG2 THR 41 -3.855 11.697 8.787 300 H SER 42 H SER 42 0.998 11.023 7.252 301 HA SER 42 HA SER 42 2.477 13.228 7.828 302 HB2 SER 42 2HB SER 42 3.464 11.097 8.227 303 HB3 SER 42 1HB SER 42 3.260 10.607 6.546 304 HG SER 42 HG SER 42 5.015 11.670 6.022 305 H TYR 43 H TYR 43 1.698 11.963 4.631 306 HA TYR 43 HA TYR 43 3.509 13.659 3.198 307 HB2 TYR 43 2HB TYR 43 0.970 12.461 2.101 308 HB3 TYR 43 1HB TYR 43 2.458 12.804 1.247 309 HD1 TYR 43 2HD TYR 43 4.479 11.711 3.171 310 HD2 TYR 43 1HD TYR 43 0.719 10.115 1.828 311 HE1 TYR 43 2HE TYR 43 5.278 9.446 3.654 312 HE2 TYR 43 1HE TYR 43 1.551 7.826 2.317 313 HH TYR 43 HH TYR 43 3.594 6.635 2.577 314 H GLY 44 H GLY 44 0.681 14.298 4.857 315 HA2 GLY 44 2HA GLY 44 -0.640 16.172 5.035 316 HA3 GLY 44 1HA GLY 44 0.644 17.026 4.180 317 H LEU 45 H LEU 45 -0.828 14.250 2.701 318 HA LEU 45 HA LEU 45 -1.605 15.735 0.408 319 HB2 LEU 45 2HB LEU 45 -2.319 13.668 -0.474 320 HB3 LEU 45 1HB LEU 45 -0.936 13.270 0.525 321 HG LEU 45 HG LEU 45 -3.848 12.983 1.359 322 HD11 LEU 45 1HD1 LEU 45 -1.804 10.834 0.929 323 HD12 LEU 45 2HD1 LEU 45 -2.966 11.326 -0.300 324 HD13 LEU 45 3HD1 LEU 45 -3.530 10.661 1.224 325 HD21 LEU 45 3HD2 LEU 45 -2.707 11.770 3.307 326 HD22 LEU 45 1HD2 LEU 45 -2.565 13.514 3.325 327 HD23 LEU 45 2HD2 LEU 45 -1.221 12.532 2.778 328 H ASP 46 H ASP 46 -3.550 16.512 -0.225 329 HA ASP 46 HA ASP 46 -5.544 17.060 1.718 330 HB2 ASP 46 2HB ASP 46 -5.587 17.240 -1.301 331 HB3 ASP 46 1HB ASP 46 -6.886 17.827 -0.262 332 H SER 47 H SER 47 -7.964 16.537 1.075 333 HA SER 47 HA SER 47 -8.283 13.722 1.397 334 HB2 SER 47 2HB SER 47 -9.825 15.374 2.400 335 HB3 SER 47 1HB SER 47 -10.353 15.846 0.786 336 HG SER 47 HG SER 47 -11.770 14.308 1.564 337 H VAL 48 H VAL 48 -8.622 15.961 -1.297 338 HA VAL 48 HA VAL 48 -9.901 14.174 -3.093 339 HB VAL 48 HB VAL 48 -8.092 16.515 -3.735 340 HG11 VAL 48 1HG1 VAL 48 -10.177 14.979 -5.305 341 HG12 VAL 48 2HG1 VAL 48 -8.471 15.179 -5.700 342 HG13 VAL 48 3HG1 VAL 48 -9.566 16.558 -5.802 343 HG21 VAL 48 3HG2 VAL 48 -10.121 17.851 -3.756 344 HG22 VAL 48 1HG2 VAL 48 -10.003 17.046 -2.193 345 HG23 VAL 48 2HG2 VAL 48 -11.109 16.429 -3.420 346 H TYR 49 H TYR 49 -6.625 14.546 -2.042 347 HA TYR 49 HA TYR 49 -5.338 13.322 -4.251 348 HB2 TYR 49 2HB TYR 49 -4.491 14.545 -1.917 349 HB3 TYR 49 1HB TYR 49 -4.109 12.857 -1.594 350 HD1 TYR 49 1HD TYR 49 -3.958 15.199 -4.535 351 HD2 TYR 49 2HD TYR 49 -1.939 12.215 -2.200 352 HE1 TYR 49 1HE TYR 49 -1.984 15.372 -6.014 353 HE2 TYR 49 2HE TYR 49 0.026 12.386 -3.664 354 HH TYR 49 HH TYR 49 0.762 13.179 -5.675 355 H ALA 50 H ALA 50 -6.506 12.012 -1.164 356 HA ALA 50 HA ALA 50 -5.666 9.393 -1.381 357 HB1 ALA 50 1HB ALA 50 -7.412 8.818 0.137 358 HB2 ALA 50 2HB ALA 50 -8.420 10.161 -0.401 359 HB3 ALA 50 3HB ALA 50 -6.956 10.475 0.532 360 H LEU 51 H LEU 51 -8.525 10.913 -2.833 361 HA LEU 51 HA LEU 51 -9.698 8.610 -3.912 362 HB2 LEU 51 2HB LEU 51 -10.869 10.733 -3.861 363 HB3 LEU 51 1HB LEU 51 -9.676 11.462 -4.934 364 HG LEU 51 HG LEU 51 -10.870 8.963 -6.022 365 HD11 LEU 51 1HD1 LEU 51 -13.018 10.009 -6.609 366 HD12 LEU 51 2HD1 LEU 51 -12.594 11.424 -5.642 367 HD13 LEU 51 3HD1 LEU 51 -12.839 9.864 -4.860 368 HD21 LEU 51 3HD2 LEU 51 -10.781 10.176 -8.057 369 HD22 LEU 51 1HD2 LEU 51 -9.378 10.757 -7.161 370 HD23 LEU 51 2HD2 LEU 51 -10.840 11.733 -7.232 371 H SER 52 H SER 52 -7.444 10.915 -5.458 372 HA SER 52 HA SER 52 -7.201 9.457 -7.876 373 HB2 SER 52 2HB SER 52 -6.598 11.849 -7.635 374 HB3 SER 52 1HB SER 52 -5.228 11.383 -6.613 375 HG SER 52 HG SER 52 -4.173 10.871 -8.355 376 H ILE 53 H ILE 53 -5.151 9.610 -4.972 377 HA ILE 53 HA ILE 53 -3.199 7.783 -5.898 378 HB ILE 53 HB ILE 53 -4.004 8.368 -3.036 379 HG12 ILE 53 2HG1 ILE 53 -3.360 10.352 -4.676 380 HG13 ILE 53 1HG1 ILE 53 -2.617 10.247 -3.083 381 HG21 ILE 53 1HG2 ILE 53 -2.552 6.507 -2.996 382 HG22 ILE 53 2HG2 ILE 53 -1.468 7.871 -2.756 383 HG23 ILE 53 3HG2 ILE 53 -1.586 7.107 -4.340 384 HD11 ILE 53 3HD1 ILE 53 -0.582 9.429 -3.937 385 HD12 ILE 53 1HD1 ILE 53 -1.059 10.640 -5.120 386 HD13 ILE 53 2HD1 ILE 53 -1.310 8.936 -5.459 387 H ALA 54 H ALA 54 -5.913 7.298 -3.660 388 HA ALA 54 HA ALA 54 -5.649 4.594 -3.197 389 HB1 ALA 54 1HB ALA 54 -7.333 5.981 -2.072 390 HB2 ALA 54 2HB ALA 54 -8.093 4.575 -2.807 391 HB3 ALA 54 3HB ALA 54 -8.221 6.147 -3.585 392 H ALA 55 H ALA 55 -7.152 6.229 -5.959 393 HA ALA 55 HA ALA 55 -8.136 3.881 -7.226 394 HB1 ALA 55 1HB ALA 55 -8.273 5.311 -9.246 395 HB2 ALA 55 2HB ALA 55 -7.383 6.568 -8.388 396 HB3 ALA 55 3HB ALA 55 -8.982 6.083 -7.826 397 H GLU 56 H GLU 56 -5.080 5.609 -7.369 398 HA GLU 56 HA GLU 56 -4.014 4.112 -9.566 399 HB2 GLU 56 2HB GLU 56 -2.918 6.002 -7.515 400 HB3 GLU 56 1HB GLU 56 -1.767 5.002 -8.401 401 HG2 GLU 56 2HG GLU 56 -2.127 7.160 -9.538 402 HG3 GLU 56 1HG GLU 56 -2.676 5.812 -10.531 403 H LEU 57 H LEU 57 -3.515 3.891 -6.051 404 HA LEU 57 HA LEU 57 -1.714 1.714 -6.126 405 HB2 LEU 57 2HB LEU 57 -3.736 2.388 -3.954 406 HB3 LEU 57 1HB LEU 57 -2.269 1.449 -3.750 407 HG LEU 57 HG LEU 57 -2.325 4.333 -4.648 408 HD11 LEU 57 1HD1 LEU 57 -1.914 3.059 -1.946 409 HD12 LEU 57 2HD1 LEU 57 -3.027 4.354 -2.375 410 HD13 LEU 57 3HD1 LEU 57 -1.290 4.666 -2.315 411 HD21 LEU 57 3HD2 LEU 57 -0.333 3.331 -5.452 412 HD22 LEU 57 1HD2 LEU 57 -0.125 2.392 -3.980 413 HD23 LEU 57 2HD2 LEU 57 0.134 4.129 -3.961 414 H GLU 58 H GLU 58 -5.240 1.777 -5.791 415 HA GLU 58 HA GLU 58 -5.452 -1.072 -5.622 416 HB2 GLU 58 2HB GLU 58 -7.842 -0.687 -5.825 417 HB3 GLU 58 1HB GLU 58 -7.136 0.425 -4.702 418 HG2 GLU 58 2HG GLU 58 -8.329 1.956 -5.920 419 HG3 GLU 58 1HG GLU 58 -6.901 1.889 -6.935 420 H ASP 59 H ASP 59 -5.812 1.287 -8.227 421 HA ASP 59 HA ASP 59 -6.803 -0.380 -10.233 422 HB2 ASP 59 2HB ASP 59 -6.712 1.963 -10.654 423 HB3 ASP 59 1HB ASP 59 -4.970 2.019 -10.359 424 H HIS 60 H HIS 60 -3.620 -0.114 -8.849 425 HA HIS 60 HA HIS 60 -2.224 -1.472 -10.957 426 HB2 HIS 60 2HB HIS 60 -1.643 -0.689 -8.103 427 HB3 HIS 60 1HB HIS 60 -0.640 -1.958 -8.783 428 HD1 HIS 60 1HD HIS 60 0.251 -1.251 -11.391 429 HD2 HIS 60 2HD HIS 60 -0.666 1.828 -8.739 430 HE1 HIS 60 1HE HIS 60 1.407 0.822 -12.274 431 HE2 HIS 60 2HE HIS 60 0.853 2.709 -10.667 432 H LEU 61 H LEU 61 -3.916 -2.511 -8.042 433 HA LEU 61 HA LEU 61 -3.263 -5.329 -8.676 434 HB2 LEU 61 2HB LEU 61 -4.449 -4.629 -6.030 435 HB3 LEU 61 1HB LEU 61 -3.157 -5.743 -6.423 436 HG LEU 61 HG LEU 61 -2.862 -2.725 -6.492 437 HD11 LEU 61 1HD1 LEU 61 -3.329 -3.691 -4.232 438 HD12 LEU 61 2HD1 LEU 61 -1.785 -2.848 -4.416 439 HD13 LEU 61 3HD1 LEU 61 -1.834 -4.614 -4.406 440 HD21 LEU 61 3HD2 LEU 61 -0.556 -3.112 -6.828 441 HD22 LEU 61 1HD2 LEU 61 -1.321 -4.284 -7.894 442 HD23 LEU 61 2HD2 LEU 61 -0.684 -4.809 -6.348 443 H ASP 62 H ASP 62 -5.413 -3.659 -9.893 444 HA ASP 62 HA ASP 62 -7.707 -3.730 -10.219 445 HB2 ASP 62 2HB ASP 62 -6.804 -6.603 -10.250 446 HB3 ASP 62 1HB ASP 62 -8.374 -6.061 -10.814 447 H VAL 63 H VAL 63 -8.001 -3.011 -7.889 448 HA VAL 63 HA VAL 63 -9.853 -4.880 -6.595 449 HB VAL 63 HB VAL 63 -8.686 -4.192 -4.342 450 HG11 VAL 63 1HG1 VAL 63 -8.758 -6.481 -4.990 451 HG12 VAL 63 2HG1 VAL 63 -7.061 -6.131 -4.647 452 HG13 VAL 63 3HG1 VAL 63 -7.620 -6.224 -6.309 453 HG21 VAL 63 3HG2 VAL 63 -7.091 -2.628 -5.181 454 HG22 VAL 63 1HG2 VAL 63 -6.508 -3.738 -6.414 455 HG23 VAL 63 2HG2 VAL 63 -6.183 -4.038 -4.708 456 H SER 64 H SER 64 -11.278 -3.858 -5.101 457 HA SER 64 HA SER 64 -11.523 -0.938 -5.550 458 HB2 SER 64 2HB SER 64 -13.877 -1.213 -5.092 459 HB3 SER 64 1HB SER 64 -13.404 -2.367 -6.333 460 HG SER 64 HG SER 64 -13.940 -2.791 -3.593 461 H LEU 65 H LEU 65 -11.027 0.326 -3.899 462 HA LEU 65 HA LEU 65 -10.724 -0.805 -1.217 463 HB2 LEU 65 2HB LEU 65 -10.268 2.079 -1.974 464 HB3 LEU 65 1HB LEU 65 -9.509 1.125 -0.697 465 HG LEU 65 HG LEU 65 -9.134 0.768 -3.670 466 HD11 LEU 65 1HD1 LEU 65 -6.638 1.149 -2.482 467 HD12 LEU 65 2HD1 LEU 65 -7.663 2.235 -1.552 468 HD13 LEU 65 3HD1 LEU 65 -7.575 2.385 -3.301 469 HD21 LEU 65 3HD2 LEU 65 -7.332 -0.878 -2.808 470 HD22 LEU 65 1HD2 LEU 65 -9.010 -1.413 -2.768 471 HD23 LEU 65 2HD2 LEU 65 -8.229 -0.851 -1.289 472 H ASP 66 H ASP 66 -11.765 0.030 0.627 473 HA ASP 66 HA ASP 66 -14.415 1.145 0.054 474 HB2 ASP 66 2HB ASP 66 -13.285 -0.669 2.064 475 HB3 ASP 66 1HB ASP 66 -14.223 0.624 2.809 476 HA PRO 67 HA PRO 67 -13.589 5.175 1.493 477 HB2 PRO 67 2HB PRO 67 -15.798 5.686 3.114 478 HB3 PRO 67 1HB PRO 67 -15.832 5.718 1.341 479 HG2 PRO 67 2HG PRO 67 -16.654 3.533 3.208 480 HG3 PRO 67 1HG PRO 67 -17.449 4.112 1.729 481 HD2 PRO 67 2HD PRO 67 -15.967 1.864 1.741 482 HD3 PRO 67 1HD PRO 67 -15.992 2.943 0.328 483 H THR 68 H THR 68 -15.293 4.022 4.375 484 HA THR 68 HA THR 68 -13.480 5.197 6.183 485 HB THR 68 HB THR 68 -14.660 3.913 7.906 486 HG1 THR 68 1HG THR 68 -16.316 2.461 7.118 487 HG21 THR 68 3HG2 THR 68 -17.017 4.594 7.253 488 HG22 THR 68 1HG2 THR 68 -16.364 5.053 5.682 489 HG23 THR 68 2HG2 THR 68 -15.811 5.874 7.141 490 H LEU 69 H LEU 69 -13.261 2.357 4.331 491 HA LEU 69 HA LEU 69 -11.674 0.868 6.110 492 HB2 LEU 69 2HB LEU 69 -12.849 -0.215 4.249 493 HB3 LEU 69 1HB LEU 69 -11.876 0.711 3.096 494 HG LEU 69 HG LEU 69 -11.158 -1.726 3.565 495 HD11 LEU 69 1HD1 LEU 69 -8.781 -0.129 4.240 496 HD12 LEU 69 2HD1 LEU 69 -9.701 0.523 2.877 497 HD13 LEU 69 3HD1 LEU 69 -9.110 -1.121 2.837 498 HD21 LEU 69 3HD2 LEU 69 -11.524 -1.315 6.090 499 HD22 LEU 69 1HD2 LEU 69 -9.910 -0.601 6.041 500 HD23 LEU 69 2HD2 LEU 69 -10.156 -2.273 5.579 501 H ILE 70 H ILE 70 -10.941 3.068 3.459 502 HA ILE 70 HA ILE 70 -8.147 2.715 3.422 503 HB ILE 70 HB ILE 70 -9.901 5.067 2.681 504 HG12 ILE 70 2HG1 ILE 70 -8.312 3.241 0.878 505 HG13 ILE 70 1HG1 ILE 70 -9.926 2.816 1.399 506 HG21 ILE 70 1HG2 ILE 70 -7.799 6.070 3.125 507 HG22 ILE 70 2HG2 ILE 70 -7.772 5.768 1.387 508 HG23 ILE 70 3HG2 ILE 70 -6.909 4.689 2.485 509 HD11 ILE 70 3HD1 ILE 70 -10.881 4.730 0.344 510 HD12 ILE 70 1HD1 ILE 70 -9.744 4.068 -0.830 511 HD13 ILE 70 2HD1 ILE 70 -9.298 5.483 0.123 512 H TRP 71 H TRP 71 -10.217 4.951 5.244 513 HA TRP 71 HA TRP 71 -8.031 6.273 6.536 514 HB2 TRP 71 2HB TRP 71 -11.011 6.201 6.996 515 HB3 TRP 71 1HB TRP 71 -9.934 7.056 8.101 516 HD1 TRP 71 HD TRP 71 -11.900 7.636 5.108 517 HE1 TRP 71 1HE TRP 71 -11.114 9.747 3.856 518 HE3 TRP 71 3HE TRP 71 -7.395 8.391 7.391 519 HZ2 TRP 71 2HZ TRP 71 -8.866 11.521 3.824 520 HZ3 TRP 71 3HZ TRP 71 -5.954 10.296 6.730 521 HH2 TRP 71 HH TRP 71 -6.686 11.860 4.951 522 H ASP 72 H ASP 72 -9.175 3.194 6.836 523 HA ASP 72 HA ASP 72 -8.720 3.000 9.743 524 HB2 ASP 72 2HB ASP 72 -9.792 1.049 7.717 525 HB3 ASP 72 1HB ASP 72 -9.424 0.608 9.372 526 H HIS 73 H HIS 73 -7.332 2.112 6.652 527 HA HIS 73 HA HIS 73 -5.002 0.914 8.068 528 HB2 HIS 73 2HB HIS 73 -5.807 0.370 5.215 529 HB3 HIS 73 1HB HIS 73 -4.646 -0.512 6.213 530 HD1 HIS 73 1HD HIS 73 -6.942 -0.121 8.665 531 HD2 HIS 73 2HD HIS 73 -7.211 -2.213 5.083 532 HE1 HIS 73 1HE HIS 73 -8.786 -1.835 8.953 533 HE2 HIS 73 2HE HIS 73 -8.934 -3.132 6.800 534 HA PRO 74 HA PRO 74 -3.800 4.783 5.638 535 HB2 PRO 74 2HB PRO 74 -2.953 6.287 7.785 536 HB3 PRO 74 1HB PRO 74 -4.621 6.296 7.186 537 HG2 PRO 74 2HG PRO 74 -3.456 4.806 9.498 538 HG3 PRO 74 1HG PRO 74 -4.994 5.690 9.384 539 HD2 PRO 74 2HD PRO 74 -4.869 2.980 9.165 540 HD3 PRO 74 1HD PRO 74 -6.061 3.976 8.284 541 H THR 75 H THR 75 -2.473 2.410 7.556 542 HA THR 75 HA THR 75 0.317 3.330 7.081 543 HB THR 75 HB THR 75 0.894 1.679 8.899 544 HG1 THR 75 1HG THR 75 -1.097 1.398 10.286 545 HG21 THR 75 3HG2 THR 75 0.918 3.979 9.489 546 HG22 THR 75 1HG2 THR 75 -0.072 3.200 10.725 547 HG23 THR 75 2HG2 THR 75 -0.842 4.095 9.417 548 H ILE 76 H ILE 76 1.874 1.594 6.674 549 HA ILE 76 HA ILE 76 0.981 -0.081 4.528 550 HB ILE 76 HB ILE 76 3.632 0.109 5.958 551 HG12 ILE 76 2HG1 ILE 76 2.559 1.165 3.322 552 HG13 ILE 76 1HG1 ILE 76 3.111 2.110 4.703 553 HG21 ILE 76 1HG2 ILE 76 2.912 -1.386 3.417 554 HG22 ILE 76 2HG2 ILE 76 3.301 -2.154 4.948 555 HG23 ILE 76 3HG2 ILE 76 4.526 -1.247 4.101 556 HD11 ILE 76 3HD1 ILE 76 4.689 0.735 2.608 557 HD12 ILE 76 1HD1 ILE 76 5.342 0.605 4.234 558 HD13 ILE 76 2HD1 ILE 76 5.072 2.192 3.515 559 H ASP 77 H ASP 77 1.885 -0.587 7.903 560 HA ASP 77 HA ASP 77 2.079 -3.353 7.976 561 HB2 ASP 77 2HB ASP 77 2.571 -1.880 9.899 562 HB3 ASP 77 1HB ASP 77 0.850 -1.539 10.070 563 H ALA 78 H ALA 78 -0.856 -1.331 8.362 564 HA ALA 78 HA ALA 78 -2.615 -3.557 8.624 565 HB1 ALA 78 1HB ALA 78 -4.382 -1.816 8.181 566 HB2 ALA 78 2HB ALA 78 -3.083 -0.645 7.949 567 HB3 ALA 78 3HB ALA 78 -3.294 -1.428 9.513 568 H LEU 79 H LEU 79 -1.848 -1.355 5.929 569 HA LEU 79 HA LEU 79 -3.572 -2.500 4.079 570 HB2 LEU 79 2HB LEU 79 -1.759 -0.406 4.052 571 HB3 LEU 79 1HB LEU 79 -0.985 -1.541 2.982 572 HG LEU 79 HG LEU 79 -2.416 -0.160 1.623 573 HD11 LEU 79 1HD1 LEU 79 -3.454 -1.841 0.430 574 HD12 LEU 79 2HD1 LEU 79 -4.139 -2.604 1.860 575 HD13 LEU 79 3HD1 LEU 79 -2.449 -2.836 1.464 576 HD21 LEU 79 3HD2 LEU 79 -4.520 0.540 2.254 577 HD22 LEU 79 1HD2 LEU 79 -3.973 0.134 3.873 578 HD23 LEU 79 2HD2 LEU 79 -4.953 -1.009 2.960 579 H SER 80 H SER 80 -0.189 -3.251 4.766 580 HA SER 80 HA SER 80 0.164 -5.223 2.788 581 HB2 SER 80 2HB SER 80 2.059 -5.982 4.160 582 HB3 SER 80 1HB SER 80 2.035 -4.224 4.027 583 HG SER 80 HG SER 80 1.342 -5.878 6.200 584 H THR 81 H THR 81 -0.810 -5.491 6.202 585 HA THR 81 HA THR 81 -1.059 -8.275 6.346 586 HB THR 81 HB THR 81 -2.698 -6.143 7.736 587 HG1 THR 81 1HG THR 81 -0.881 -5.868 8.720 588 HG21 THR 81 3HG2 THR 81 -2.999 -7.999 9.440 589 HG22 THR 81 1HG2 THR 81 -2.377 -9.110 8.222 590 HG23 THR 81 2HG2 THR 81 -3.874 -8.226 7.926 591 H ALA 82 H ALA 82 -3.382 -5.819 5.259 592 HA ALA 82 HA ALA 82 -5.517 -7.665 4.808 593 HB1 ALA 82 1HB ALA 82 -5.864 -5.226 5.133 594 HB2 ALA 82 2HB ALA 82 -6.589 -5.810 3.636 595 HB3 ALA 82 3HB ALA 82 -5.063 -4.925 3.590 596 H LEU 83 H LEU 83 -2.947 -6.256 2.751 597 HA LEU 83 HA LEU 83 -3.928 -7.231 0.310 598 HB2 LEU 83 2HB LEU 83 -1.873 -5.589 1.042 599 HB3 LEU 83 1HB LEU 83 -0.947 -7.052 0.698 600 HG LEU 83 HG LEU 83 -2.899 -5.689 -1.185 601 HD11 LEU 83 1HD1 LEU 83 0.095 -5.748 -0.896 602 HD12 LEU 83 2HD1 LEU 83 -0.972 -4.407 -1.318 603 HD13 LEU 83 3HD1 LEU 83 -0.605 -5.645 -2.517 604 HD21 LEU 83 3HD2 LEU 83 -3.091 -7.973 -1.728 605 HD22 LEU 83 1HD2 LEU 83 -1.422 -8.304 -1.284 606 HD23 LEU 83 2HD2 LEU 83 -1.768 -7.449 -2.775 607 H VAL 84 H VAL 84 -1.456 -8.573 2.509 608 HA VAL 84 HA VAL 84 -0.988 -10.933 1.033 609 HB VAL 84 HB VAL 84 0.491 -10.076 2.845 610 HG11 VAL 84 1HG1 VAL 84 -0.116 -10.411 5.163 611 HG12 VAL 84 2HG1 VAL 84 -1.614 -11.220 4.706 612 HG13 VAL 84 3HG1 VAL 84 -1.396 -9.507 4.378 613 HG21 VAL 84 3HG2 VAL 84 -0.575 -12.908 2.939 614 HG22 VAL 84 1HG2 VAL 84 0.743 -12.396 3.977 615 HG23 VAL 84 2HG2 VAL 84 0.915 -12.319 2.224 616 H ALA 85 H ALA 85 -3.424 -10.045 3.425 617 HA ALA 85 HA ALA 85 -4.401 -12.578 4.069 618 HB1 ALA 85 1HB ALA 85 -6.051 -10.074 3.736 619 HB2 ALA 85 2HB ALA 85 -5.062 -10.413 5.154 620 HB3 ALA 85 3HB ALA 85 -6.421 -11.459 4.759 621 H GLU 86 H GLU 86 -4.898 -10.546 1.254 622 HA GLU 86 HA GLU 86 -7.128 -11.818 0.117 623 HB2 GLU 86 2HB GLU 86 -4.710 -10.615 -1.272 624 HB3 GLU 86 1HB GLU 86 -6.241 -11.000 -2.053 625 HG2 GLU 86 2HG GLU 86 -5.945 -9.113 0.289 626 HG3 GLU 86 1HG GLU 86 -6.070 -8.601 -1.388 627 H LEU 87 H LEU 87 -3.967 -13.009 0.634 628 HA LEU 87 HA LEU 87 -4.228 -15.115 -1.414 629 HB2 LEU 87 2HB LEU 87 -1.960 -14.076 0.261 630 HB3 LEU 87 1HB LEU 87 -1.857 -15.688 -0.429 631 HG LEU 87 HG LEU 87 -2.277 -14.740 -2.668 632 HD11 LEU 87 1HD1 LEU 87 -2.052 -12.190 -2.815 633 HD12 LEU 87 2HD1 LEU 87 -2.398 -12.172 -1.085 634 HD13 LEU 87 3HD1 LEU 87 -3.589 -12.811 -2.218 635 HD21 LEU 87 3HD2 LEU 87 0.019 -14.974 -2.168 636 HD22 LEU 87 1HD2 LEU 87 -0.008 -13.655 -0.998 637 HD23 LEU 87 2HD2 LEU 87 -0.117 -13.306 -2.720 638 H ARG 88 H ARG 88 -4.757 -14.588 1.916 639 HA ARG 88 HA ARG 88 -4.185 -17.119 2.968 640 HB2 ARG 88 2HB ARG 88 -6.155 -14.978 3.750 641 HB3 ARG 88 1HB ARG 88 -6.023 -16.469 4.659 642 HG2 ARG 88 2HG ARG 88 -3.549 -14.850 4.042 643 HG3 ARG 88 1HG ARG 88 -4.588 -14.405 5.396 644 HD2 ARG 88 2HD ARG 88 -3.268 -17.103 4.998 645 HD3 ARG 88 1HD ARG 88 -2.816 -15.889 6.177 646 HE ARG 88 HE ARG 88 -5.092 -17.683 6.321 647 HH11 ARG 88 1HH2 ARG 88 -3.627 -14.732 7.368 648 HH12 ARG 88 2HH2 ARG 88 -4.520 -14.652 8.850 649 HH21 ARG 88 1HH1 ARG 88 -6.270 -17.587 8.261 650 HH22 ARG 88 2HH1 ARG 88 -6.016 -16.270 9.356 651 H SER 89 H SER 89 -7.110 -15.869 1.424 652 HA SER 89 HA SER 89 -7.866 -18.493 0.567 653 HB2 SER 89 2HB SER 89 -9.925 -18.709 1.818 654 HB3 SER 89 1HB SER 89 -8.592 -18.541 2.957 655 HG SER 89 HG SER 89 -10.739 -16.934 2.536 656 H ALA 90 H ALA 90 -9.166 -15.260 1.328 657 HA ALA 90 HA ALA 90 -9.796 -14.801 -1.462 658 HB1 ALA 90 1HB ALA 90 -11.741 -16.148 -0.529 659 HB2 ALA 90 2HB ALA 90 -12.159 -14.590 -1.242 660 HB3 ALA 90 3HB ALA 90 -12.082 -14.765 0.510 Start of MODEL 28 1 H1 GLY 1 1HT GLY 1 10.983 -15.425 -21.308 2 H2 GLY 1 2HT GLY 1 12.145 -15.637 -20.088 3 H3 GLY 1 3HT GLY 1 12.555 -14.830 -21.525 4 HA2 GLY 1 2HA GLY 1 12.278 -13.132 -19.959 5 HA3 GLY 1 1HA GLY 1 10.797 -13.138 -20.921 6 H HIS 2 H HIS 2 11.176 -12.232 -18.160 7 HA HIS 2 HA HIS 2 10.283 -12.483 -16.042 8 HB2 HIS 2 2HB HIS 2 7.990 -13.551 -17.707 9 HB3 HIS 2 1HB HIS 2 7.874 -12.914 -16.066 10 HD1 HIS 2 1HD HIS 2 8.230 -11.866 -19.628 11 HD2 HIS 2 2HD HIS 2 8.248 -10.063 -15.869 12 HE1 HIS 2 1HE HIS 2 8.030 -9.375 -20.029 13 HE2 HIS 2 2HE HIS 2 8.040 -8.261 -17.747 14 H MET 3 H MET 3 11.653 -14.089 -15.198 15 HA MET 3 HA MET 3 11.327 -16.867 -15.633 16 HB2 MET 3 2HB MET 3 12.593 -15.318 -13.364 17 HB3 MET 3 1HB MET 3 12.665 -17.074 -13.505 18 HG2 MET 3 2HG MET 3 13.798 -16.909 -15.650 19 HG3 MET 3 1HG MET 3 13.615 -15.157 -15.650 20 HE1 MET 3 3HE MET 3 16.300 -17.824 -13.156 21 HE2 MET 3 1HE MET 3 14.795 -18.206 -14.000 22 HE3 MET 3 2HE MET 3 14.748 -17.469 -12.403 23 H SER 4 H SER 4 9.468 -14.630 -13.872 24 HA SER 4 HA SER 4 7.592 -14.876 -12.568 25 HB2 SER 4 2HB SER 4 6.273 -16.773 -12.878 26 HB3 SER 4 1HB SER 4 7.273 -16.798 -14.326 27 HG SER 4 HG SER 4 7.479 -18.335 -11.968 28 H ASP 5 H ASP 5 9.670 -14.496 -11.078 29 HA ASP 5 HA ASP 5 10.514 -16.566 -9.348 30 HB2 ASP 5 2HB ASP 5 10.425 -13.566 -9.010 31 HB3 ASP 5 1HB ASP 5 11.141 -14.648 -7.817 32 H LEU 6 H LEU 6 8.098 -13.989 -8.827 33 HA LEU 6 HA LEU 6 7.135 -15.281 -6.406 34 HB2 LEU 6 2HB LEU 6 5.724 -13.375 -6.152 35 HB3 LEU 6 1HB LEU 6 7.288 -12.790 -6.688 36 HG LEU 6 HG LEU 6 5.985 -13.273 -9.113 37 HD11 LEU 6 1HD1 LEU 6 3.904 -13.613 -7.594 38 HD12 LEU 6 2HD1 LEU 6 3.754 -12.526 -8.978 39 HD13 LEU 6 3HD1 LEU 6 3.973 -11.870 -7.357 40 HD21 LEU 6 3HD2 LEU 6 5.825 -10.837 -9.260 41 HD22 LEU 6 1HD2 LEU 6 7.350 -11.312 -8.513 42 HD23 LEU 6 2HD2 LEU 6 6.032 -10.705 -7.512 43 H SER 7 H SER 7 6.619 -15.705 -9.671 44 HA SER 7 HA SER 7 4.961 -16.667 -10.945 45 HB2 SER 7 2HB SER 7 4.341 -18.079 -8.349 46 HB3 SER 7 1HB SER 7 3.995 -18.655 -9.978 47 HG SER 7 HG SER 7 6.425 -18.484 -8.598 48 H THR 8 H THR 8 2.446 -17.720 -9.869 49 HA THR 8 HA THR 8 0.944 -15.212 -9.890 50 HB THR 8 HB THR 8 -1.012 -16.928 -9.837 51 HG1 THR 8 1HG THR 8 -0.335 -18.876 -9.559 52 HG21 THR 8 3HG2 THR 8 -0.606 -17.429 -12.302 53 HG22 THR 8 1HG2 THR 8 0.968 -16.657 -12.107 54 HG23 THR 8 2HG2 THR 8 -0.509 -15.727 -11.851 55 H ALA 9 H ALA 9 2.571 -16.404 -7.538 56 HA ALA 9 HA ALA 9 0.437 -16.033 -5.508 57 HB1 ALA 9 1HB ALA 9 1.483 -17.722 -4.121 58 HB2 ALA 9 2HB ALA 9 2.723 -18.002 -5.353 59 HB3 ALA 9 3HB ALA 9 1.036 -18.415 -5.683 60 HA PRO 10 HA PRO 10 3.822 -12.884 -5.015 61 HB2 PRO 10 2HB PRO 10 1.471 -11.552 -3.757 62 HB3 PRO 10 1HB PRO 10 2.682 -10.886 -4.876 63 HG2 PRO 10 2HG PRO 10 0.209 -11.472 -5.687 64 HG3 PRO 10 1HG PRO 10 1.615 -11.756 -6.733 65 HD2 PRO 10 2HD PRO 10 -0.012 -13.741 -5.186 66 HD3 PRO 10 1HD PRO 10 0.788 -13.921 -6.765 67 H THR 11 H THR 11 4.895 -12.232 -3.094 68 HA THR 11 HA THR 11 3.974 -13.627 -0.635 69 HB THR 11 HB THR 11 6.799 -12.868 -1.402 70 HG1 THR 11 1HG THR 11 5.788 -14.540 -2.697 71 HG21 THR 11 3HG2 THR 11 7.275 -14.535 0.460 72 HG22 THR 11 1HG2 THR 11 5.560 -14.442 0.861 73 HG23 THR 11 2HG2 THR 11 6.571 -13.001 0.974 74 H LEU 12 H LEU 12 4.374 -12.576 1.370 75 HA LEU 12 HA LEU 12 3.486 -9.997 1.594 76 HB2 LEU 12 2HB LEU 12 5.477 -11.403 3.401 77 HB3 LEU 12 1HB LEU 12 4.578 -9.955 3.830 78 HG LEU 12 HG LEU 12 2.594 -11.727 2.881 79 HD11 LEU 12 1HD1 LEU 12 4.394 -13.501 3.049 80 HD12 LEU 12 2HD1 LEU 12 2.943 -13.815 4.001 81 HD13 LEU 12 3HD1 LEU 12 4.402 -13.217 4.791 82 HD21 LEU 12 3HD2 LEU 12 2.226 -10.247 4.736 83 HD22 LEU 12 1HD2 LEU 12 3.515 -11.004 5.672 84 HD23 LEU 12 2HD2 LEU 12 2.024 -11.889 5.348 85 H ASP 13 H ASP 13 6.841 -11.062 1.253 86 HA ASP 13 HA ASP 13 8.083 -8.586 1.657 87 HB2 ASP 13 2HB ASP 13 9.093 -10.602 -0.332 88 HB3 ASP 13 1HB ASP 13 10.018 -9.547 0.717 89 H SER 14 H SER 14 6.816 -10.064 -1.331 90 HA SER 14 HA SER 14 7.719 -8.040 -3.077 91 HB2 SER 14 2HB SER 14 6.114 -8.981 -4.649 92 HB3 SER 14 1HB SER 14 7.092 -10.230 -3.889 93 HG SER 14 HG SER 14 5.395 -10.913 -2.781 94 H LEU 15 H LEU 15 4.723 -8.490 -1.258 95 HA LEU 15 HA LEU 15 3.422 -6.195 -2.368 96 HB2 LEU 15 2HB LEU 15 2.898 -7.988 -0.014 97 HB3 LEU 15 1HB LEU 15 1.919 -6.540 -0.257 98 HG LEU 15 HG LEU 15 1.116 -7.303 -2.342 99 HD11 LEU 15 1HD1 LEU 15 3.287 -9.365 -2.173 100 HD12 LEU 15 2HD1 LEU 15 3.113 -8.129 -3.405 101 HD13 LEU 15 3HD1 LEU 15 1.994 -9.444 -3.326 102 HD21 LEU 15 3HD2 LEU 15 0.204 -8.463 -0.313 103 HD22 LEU 15 1HD2 LEU 15 1.349 -9.764 -0.593 104 HD23 LEU 15 2HD2 LEU 15 0.098 -9.445 -1.788 105 H ARG 16 H ARG 16 4.426 -6.773 0.981 106 HA ARG 16 HA ARG 16 4.316 -4.322 2.074 107 HB2 ARG 16 2HB ARG 16 5.255 -6.229 3.277 108 HB3 ARG 16 1HB ARG 16 6.680 -6.193 2.260 109 HG2 ARG 16 2HG ARG 16 6.027 -3.598 3.588 110 HG3 ARG 16 1HG ARG 16 6.482 -4.887 4.692 111 HD2 ARG 16 2HD ARG 16 8.507 -5.284 3.142 112 HD3 ARG 16 1HD ARG 16 8.098 -3.743 2.412 113 HE ARG 16 HE ARG 16 9.227 -4.173 5.039 114 HH11 ARG 16 1HH2 ARG 16 7.495 -2.076 2.901 115 HH12 ARG 16 2HH2 ARG 16 7.939 -0.628 3.740 116 HH21 ARG 16 1HH1 ARG 16 9.813 -2.280 6.145 117 HH22 ARG 16 2HH1 ARG 16 9.252 -0.742 5.577 118 H VAL 17 H VAL 17 7.141 -5.402 0.141 119 HA VAL 17 HA VAL 17 8.483 -2.936 0.136 120 HB VAL 17 HB VAL 17 9.742 -3.832 -1.749 121 HG11 VAL 17 1HG1 VAL 17 10.580 -4.847 0.162 122 HG12 VAL 17 2HG1 VAL 17 10.031 -6.300 -0.689 123 HG13 VAL 17 3HG1 VAL 17 9.047 -5.589 0.590 124 HG21 VAL 17 3HG2 VAL 17 8.920 -6.204 -2.517 125 HG22 VAL 17 1HG2 VAL 17 8.175 -4.768 -3.219 126 HG23 VAL 17 2HG2 VAL 17 7.391 -5.618 -1.915 127 H TRP 18 H TRP 18 5.958 -4.247 -1.964 128 HA TRP 18 HA TRP 18 6.091 -2.290 -3.993 129 HB2 TRP 18 2HB TRP 18 4.383 -3.528 -4.844 130 HB3 TRP 18 1HB TRP 18 4.484 -4.501 -3.398 131 HD1 TRP 18 HD TRP 18 2.490 -4.307 -1.693 132 HE1 TRP 18 1HE TRP 18 0.378 -2.980 -1.553 133 HE3 TRP 18 3HE TRP 18 3.305 -1.084 -5.548 134 HZ2 TRP 18 2HZ TRP 18 -0.876 -0.795 -2.908 135 HZ3 TRP 18 3HZ TRP 18 1.621 0.613 -6.105 136 HH2 TRP 18 HH TRP 18 -0.473 0.729 -4.773 137 H LEU 19 H LEU 19 4.079 -2.423 -1.049 138 HA LEU 19 HA LEU 19 2.684 -0.035 -1.437 139 HB2 LEU 19 2HB LEU 19 3.349 -1.817 0.830 140 HB3 LEU 19 1HB LEU 19 3.080 -0.158 1.320 141 HG LEU 19 HG LEU 19 1.065 -1.231 -0.595 142 HD11 LEU 19 1HD1 LEU 19 -0.135 -2.424 1.081 143 HD12 LEU 19 2HD1 LEU 19 1.114 -2.111 2.272 144 HD13 LEU 19 3HD1 LEU 19 1.440 -3.158 0.886 145 HD21 LEU 19 3HD2 LEU 19 0.594 0.165 2.012 146 HD22 LEU 19 1HD2 LEU 19 -0.353 0.225 0.530 147 HD23 LEU 19 2HD2 LEU 19 1.184 1.069 0.618 148 H VAL 20 H VAL 20 5.612 -0.457 0.620 149 HA VAL 20 HA VAL 20 5.985 2.269 1.093 150 HB VAL 20 HB VAL 20 7.154 0.580 2.390 151 HG11 VAL 20 1HG1 VAL 20 7.363 -0.964 0.360 152 HG12 VAL 20 2HG1 VAL 20 8.728 -0.937 1.466 153 HG13 VAL 20 3HG1 VAL 20 8.814 -0.058 -0.053 154 HG21 VAL 20 3HG2 VAL 20 8.228 2.847 1.950 155 HG22 VAL 20 1HG2 VAL 20 9.228 2.043 0.740 156 HG23 VAL 20 2HG2 VAL 20 9.341 1.567 2.432 157 H ASP 21 H ASP 21 7.470 0.187 -1.397 158 HA ASP 21 HA ASP 21 9.045 2.139 -2.629 159 HB2 ASP 21 2HB ASP 21 9.181 -0.285 -3.132 160 HB3 ASP 21 1HB ASP 21 7.614 -0.196 -3.937 161 H CYS 22 H CYS 22 5.620 1.405 -2.976 162 HA CYS 22 HA CYS 22 5.088 2.912 -5.296 163 HB2 CYS 22 2HB CYS 22 3.534 1.278 -4.120 164 HB3 CYS 22 1HB CYS 22 3.174 2.575 -2.988 165 HG CYS 22 HG CYS 22 2.482 2.625 -6.028 166 H VAL 23 H VAL 23 4.882 3.803 -1.843 167 HA VAL 23 HA VAL 23 4.063 6.492 -2.278 168 HB VAL 23 HB VAL 23 5.679 5.389 0.016 169 HG11 VAL 23 1HG1 VAL 23 5.237 7.988 -0.382 170 HG12 VAL 23 2HG1 VAL 23 5.038 7.295 1.216 171 HG13 VAL 23 3HG1 VAL 23 3.634 7.586 0.194 172 HG21 VAL 23 3HG2 VAL 23 2.729 5.344 -0.603 173 HG22 VAL 23 1HG2 VAL 23 3.327 5.228 1.061 174 HG23 VAL 23 2HG2 VAL 23 3.767 3.992 -0.139 175 H ALA 24 H ALA 24 7.322 5.101 -1.621 176 HA ALA 24 HA ALA 24 8.876 7.335 -1.640 177 HB1 ALA 24 1HB ALA 24 9.633 4.865 -3.202 178 HB2 ALA 24 2HB ALA 24 9.588 4.886 -1.438 179 HB3 ALA 24 3HB ALA 24 10.692 5.953 -2.306 180 H GLY 25 H GLY 25 7.978 5.470 -4.548 181 HA2 GLY 25 2HA GLY 25 9.075 7.291 -6.419 182 HA3 GLY 25 1HA GLY 25 7.822 6.102 -6.770 183 H HIS 26 H HIS 26 5.787 6.975 -5.075 184 HA HIS 26 HA HIS 26 4.465 8.869 -6.603 185 HB2 HIS 26 2HB HIS 26 3.331 7.451 -4.956 186 HB3 HIS 26 1HB HIS 26 4.121 8.293 -3.654 187 HD1 HIS 26 1HD HIS 26 2.994 10.323 -6.538 188 HD2 HIS 26 2HD HIS 26 1.568 9.267 -2.765 189 HE1 HIS 26 1HE HIS 26 1.060 11.884 -6.051 190 HE2 HIS 26 2HE HIS 26 0.172 11.260 -3.755 191 H LEU 27 H LEU 27 6.085 9.429 -3.445 192 HA LEU 27 HA LEU 27 5.895 12.312 -3.834 193 HB2 LEU 27 2HB LEU 27 7.023 10.591 -1.623 194 HB3 LEU 27 1HB LEU 27 7.020 12.358 -1.592 195 HG LEU 27 HG LEU 27 4.533 10.660 -1.928 196 HD11 LEU 27 1HD1 LEU 27 4.051 11.262 0.432 197 HD12 LEU 27 2HD1 LEU 27 5.632 12.036 0.543 198 HD13 LEU 27 3HD1 LEU 27 5.524 10.293 0.296 199 HD21 LEU 27 3HD2 LEU 27 3.639 13.026 -1.027 200 HD22 LEU 27 1HD2 LEU 27 3.917 12.737 -2.737 201 HD23 LEU 27 2HD2 LEU 27 5.116 13.603 -1.784 202 H GLY 28 H GLY 28 8.335 9.794 -3.890 203 HA2 GLY 28 2HA GLY 28 10.242 9.932 -5.313 204 HA3 GLY 28 1HA GLY 28 10.192 11.684 -5.172 205 H LEU 29 H LEU 29 9.608 10.716 -2.138 206 HA LEU 29 HA LEU 29 12.207 11.378 -1.188 207 HB2 LEU 29 2HB LEU 29 9.992 10.017 0.351 208 HB3 LEU 29 1HB LEU 29 11.308 10.980 1.006 209 HG LEU 29 HG LEU 29 9.159 12.016 -0.850 210 HD11 LEU 29 1HD1 LEU 29 8.445 13.293 1.197 211 HD12 LEU 29 2HD1 LEU 29 9.575 12.317 2.135 212 HD13 LEU 29 3HD1 LEU 29 8.206 11.551 1.329 213 HD21 LEU 29 3HD2 LEU 29 11.046 13.374 -1.217 214 HD22 LEU 29 1HD2 LEU 29 11.582 13.245 0.459 215 HD23 LEU 29 2HD2 LEU 29 10.189 14.242 0.049 216 H ASP 30 H ASP 30 12.995 9.756 0.710 217 HA ASP 30 HA ASP 30 13.968 7.437 -0.744 218 HB2 ASP 30 2HB ASP 30 14.519 8.489 2.032 219 HB3 ASP 30 1HB ASP 30 15.278 7.048 1.359 220 H ALA 31 H ALA 31 13.226 5.412 -0.587 221 HA ALA 31 HA ALA 31 10.821 4.752 0.607 222 HB1 ALA 31 1HB ALA 31 11.706 3.400 -1.156 223 HB2 ALA 31 2HB ALA 31 11.491 2.400 0.280 224 HB3 ALA 31 3HB ALA 31 13.101 2.974 -0.163 225 H ALA 32 H ALA 32 14.097 4.463 1.860 226 HA ALA 32 HA ALA 32 13.536 2.886 4.101 227 HB1 ALA 32 1HB ALA 32 15.666 4.982 3.630 228 HB2 ALA 32 2HB ALA 32 15.816 3.239 3.410 229 HB3 ALA 32 3HB ALA 32 15.635 3.913 5.031 230 H THR 33 H THR 33 13.258 6.356 3.566 231 HA THR 33 HA THR 33 12.157 6.638 6.315 232 HB THR 33 HB THR 33 12.767 9.139 5.822 233 HG1 THR 33 1HG THR 33 13.735 9.382 4.002 234 HG21 THR 33 3HG2 THR 33 14.876 7.025 6.360 235 HG22 THR 33 1HG2 THR 33 13.835 7.783 7.565 236 HG23 THR 33 2HG2 THR 33 15.049 8.743 6.719 237 H ILE 34 H ILE 34 10.537 5.694 4.247 238 HA ILE 34 HA ILE 34 9.074 7.927 3.145 239 HB ILE 34 HB ILE 34 8.945 4.953 3.043 240 HG12 ILE 34 2HG1 ILE 34 9.830 6.516 1.260 241 HG13 ILE 34 1HG1 ILE 34 8.594 5.382 0.682 242 HG21 ILE 34 1HG2 ILE 34 6.692 5.136 3.765 243 HG22 ILE 34 2HG2 ILE 34 6.561 5.177 2.052 244 HG23 ILE 34 3HG2 ILE 34 6.466 6.659 2.945 245 HD11 ILE 34 3HD1 ILE 34 7.295 7.108 0.072 246 HD12 ILE 34 1HD1 ILE 34 8.590 8.205 0.498 247 HD13 ILE 34 2HD1 ILE 34 7.350 7.833 1.663 248 H ALA 35 H ALA 35 7.794 5.281 5.158 249 HA ALA 35 HA ALA 35 7.023 6.569 7.416 250 HB1 ALA 35 1HB ALA 35 5.300 7.325 5.088 251 HB2 ALA 35 2HB ALA 35 5.753 8.274 6.518 252 HB3 ALA 35 3HB ALA 35 4.506 7.050 6.639 253 H THR 36 H THR 36 7.358 3.936 5.853 254 HA THR 36 HA THR 36 5.264 2.298 5.718 255 HB THR 36 HB THR 36 6.696 0.493 6.215 256 HG1 THR 36 1HG THR 36 8.109 2.272 7.921 257 HG21 THR 36 3HG2 THR 36 8.750 1.031 5.167 258 HG22 THR 36 1HG2 THR 36 8.732 2.683 5.784 259 HG23 THR 36 2HG2 THR 36 7.609 2.203 4.512 260 H ASP 37 H ASP 37 6.590 3.568 8.762 261 HA ASP 37 HA ASP 37 4.553 2.107 10.280 262 HB2 ASP 37 2HB ASP 37 6.941 3.778 11.103 263 HB3 ASP 37 1HB ASP 37 5.804 3.046 12.235 264 H LEU 38 H LEU 38 5.213 5.213 8.962 265 HA LEU 38 HA LEU 38 3.343 6.519 10.756 266 HB2 LEU 38 2HB LEU 38 5.338 7.486 8.766 267 HB3 LEU 38 1HB LEU 38 4.020 8.552 9.218 268 HG LEU 38 HG LEU 38 5.637 7.141 11.351 269 HD11 LEU 38 1HD1 LEU 38 6.371 9.761 10.016 270 HD12 LEU 38 2HD1 LEU 38 7.262 8.249 9.852 271 HD13 LEU 38 3HD1 LEU 38 7.172 9.052 11.419 272 HD21 LEU 38 3HD2 LEU 38 3.970 9.664 11.139 273 HD22 LEU 38 1HD2 LEU 38 5.051 9.374 12.497 274 HD23 LEU 38 2HD2 LEU 38 3.718 8.274 12.194 275 HA PRO 39 HA PRO 39 0.054 6.232 7.810 276 HB2 PRO 39 2HB PRO 39 -1.541 8.281 8.653 277 HB3 PRO 39 1HB PRO 39 -1.337 6.785 9.585 278 HG2 PRO 39 2HG PRO 39 -0.022 9.422 9.941 279 HG3 PRO 39 1HG PRO 39 -0.691 8.330 11.182 280 HD2 PRO 39 2HD PRO 39 1.986 8.491 10.622 281 HD3 PRO 39 1HD PRO 39 1.193 7.007 11.208 282 H LEU 40 H LEU 40 -0.310 6.975 5.807 283 HA LEU 40 HA LEU 40 1.222 8.753 4.420 284 HB2 LEU 40 2HB LEU 40 -0.773 9.050 2.870 285 HB3 LEU 40 1HB LEU 40 -0.276 7.393 3.168 286 HG LEU 40 HG LEU 40 -2.053 7.636 5.208 287 HD11 LEU 40 1HD1 LEU 40 -2.965 9.569 3.087 288 HD12 LEU 40 2HD1 LEU 40 -2.694 9.914 4.789 289 HD13 LEU 40 3HD1 LEU 40 -4.018 8.896 4.306 290 HD21 LEU 40 3HD2 LEU 40 -3.779 6.753 3.577 291 HD22 LEU 40 1HD2 LEU 40 -2.242 5.879 3.630 292 HD23 LEU 40 2HD2 LEU 40 -2.576 7.012 2.316 293 H THR 41 H THR 41 -1.218 9.505 6.727 294 HA THR 41 HA THR 41 -1.986 12.080 5.930 295 HB THR 41 HB THR 41 -2.511 12.448 8.321 296 HG1 THR 41 1HG THR 41 -1.740 11.136 9.827 297 HG21 THR 41 3HG2 THR 41 -3.177 9.754 7.123 298 HG22 THR 41 1HG2 THR 41 -4.150 11.224 7.100 299 HG23 THR 41 2HG2 THR 41 -3.923 10.344 8.610 300 H SER 42 H SER 42 1.032 10.917 7.123 301 HA SER 42 HA SER 42 2.065 13.239 8.317 302 HB2 SER 42 2HB SER 42 3.066 10.890 8.336 303 HB3 SER 42 1HB SER 42 3.676 11.237 6.714 304 HG SER 42 HG SER 42 5.019 12.704 7.530 305 H TYR 43 H TYR 43 1.525 12.373 5.002 306 HA TYR 43 HA TYR 43 3.297 14.402 3.926 307 HB2 TYR 43 2HB TYR 43 1.143 12.810 2.522 308 HB3 TYR 43 1HB TYR 43 2.454 13.688 1.764 309 HD1 TYR 43 1HD TYR 43 4.873 13.074 3.001 310 HD2 TYR 43 2HD TYR 43 1.465 10.492 2.535 311 HE1 TYR 43 1HE TYR 43 6.337 11.093 3.218 312 HE2 TYR 43 2HE TYR 43 2.944 8.509 2.744 313 HH TYR 43 HH TYR 43 4.999 7.821 3.280 314 H GLY 44 H GLY 44 0.325 14.472 5.396 315 HA2 GLY 44 2HA GLY 44 -1.289 16.100 5.591 316 HA3 GLY 44 1HA GLY 44 -0.123 17.197 4.858 317 H LEU 45 H LEU 45 -0.679 14.510 2.909 318 HA LEU 45 HA LEU 45 -1.680 15.906 0.728 319 HB2 LEU 45 2HB LEU 45 -2.113 13.813 -0.272 320 HB3 LEU 45 1HB LEU 45 -0.775 13.514 0.829 321 HG LEU 45 HG LEU 45 -3.702 12.955 1.445 322 HD11 LEU 45 1HD1 LEU 45 -3.298 10.719 1.077 323 HD12 LEU 45 2HD1 LEU 45 -1.545 10.912 1.149 324 HD13 LEU 45 3HD1 LEU 45 -2.441 11.490 -0.258 325 HD21 LEU 45 3HD2 LEU 45 -2.585 13.466 3.510 326 HD22 LEU 45 1HD2 LEU 45 -1.129 12.633 2.996 327 HD23 LEU 45 2HD2 LEU 45 -2.579 11.732 3.390 328 H ASP 46 H ASP 46 -3.685 16.404 -0.064 329 HA ASP 46 HA ASP 46 -5.814 16.677 1.835 330 HB2 ASP 46 2HB ASP 46 -5.633 17.210 -1.131 331 HB3 ASP 46 1HB ASP 46 -7.083 17.524 -0.182 332 H SER 47 H SER 47 -7.858 15.695 1.806 333 HA SER 47 HA SER 47 -7.984 12.963 1.464 334 HB2 SER 47 2HB SER 47 -10.189 15.027 1.355 335 HB3 SER 47 1HB SER 47 -10.491 13.293 1.376 336 HG SER 47 HG SER 47 -9.127 14.852 3.320 337 H VAL 48 H VAL 48 -8.345 15.473 -0.921 338 HA VAL 48 HA VAL 48 -9.707 14.046 -2.929 339 HB VAL 48 HB VAL 48 -7.590 16.181 -3.287 340 HG11 VAL 48 1HG1 VAL 48 -8.164 15.007 -5.364 341 HG12 VAL 48 2HG1 VAL 48 -8.849 16.630 -5.383 342 HG13 VAL 48 3HG1 VAL 48 -9.881 15.243 -5.042 343 HG21 VAL 48 3HG2 VAL 48 -9.418 16.845 -1.727 344 HG22 VAL 48 1HG2 VAL 48 -10.600 16.435 -2.971 345 HG23 VAL 48 2HG2 VAL 48 -9.467 17.760 -3.234 346 H TYR 49 H TYR 49 -6.431 13.891 -1.804 347 HA TYR 49 HA TYR 49 -5.181 12.783 -4.075 348 HB2 TYR 49 2HB TYR 49 -4.625 12.681 -1.119 349 HB3 TYR 49 1HB TYR 49 -3.672 11.703 -2.212 350 HD1 TYR 49 1HD TYR 49 -5.064 15.194 -2.182 351 HD2 TYR 49 2HD TYR 49 -1.666 12.665 -2.892 352 HE1 TYR 49 1HE TYR 49 -3.710 17.180 -2.780 353 HE2 TYR 49 2HE TYR 49 -0.317 14.643 -3.483 354 HH TYR 49 HH TYR 49 -1.587 17.580 -4.257 355 H ALA 50 H ALA 50 -6.719 11.195 -1.278 356 HA ALA 50 HA ALA 50 -6.254 8.556 -1.865 357 HB1 ALA 50 1HB ALA 50 -7.464 9.265 0.143 358 HB2 ALA 50 2HB ALA 50 -8.414 8.070 -0.740 359 HB3 ALA 50 3HB ALA 50 -8.835 9.779 -0.842 360 H LEU 51 H LEU 51 -8.935 10.542 -3.102 361 HA LEU 51 HA LEU 51 -10.312 8.706 -4.588 362 HB2 LEU 51 2HB LEU 51 -10.927 11.095 -4.378 363 HB3 LEU 51 1HB LEU 51 -9.616 11.516 -5.471 364 HG LEU 51 HG LEU 51 -11.401 9.390 -6.539 365 HD11 LEU 51 1HD1 LEU 51 -13.083 10.702 -5.342 366 HD12 LEU 51 2HD1 LEU 51 -13.233 10.957 -7.080 367 HD13 LEU 51 3HD1 LEU 51 -12.469 12.185 -6.070 368 HD21 LEU 51 3HD2 LEU 51 -11.268 10.852 -8.539 369 HD22 LEU 51 1HD2 LEU 51 -9.673 10.501 -7.886 370 HD23 LEU 51 2HD2 LEU 51 -10.420 12.067 -7.583 371 H SER 52 H SER 52 -7.795 10.787 -6.042 372 HA SER 52 HA SER 52 -7.556 9.154 -8.361 373 HB2 SER 52 2HB SER 52 -6.958 11.657 -8.048 374 HB3 SER 52 1HB SER 52 -5.420 11.061 -7.399 375 HG SER 52 HG SER 52 -4.861 10.781 -9.405 376 H ILE 53 H ILE 53 -5.444 9.636 -5.537 377 HA ILE 53 HA ILE 53 -3.462 7.805 -6.291 378 HB ILE 53 HB ILE 53 -4.355 8.601 -3.505 379 HG12 ILE 53 2HG1 ILE 53 -3.700 10.516 -4.972 380 HG13 ILE 53 1HG1 ILE 53 -2.533 10.254 -3.664 381 HG21 ILE 53 1HG2 ILE 53 -1.916 8.020 -2.993 382 HG22 ILE 53 2HG2 ILE 53 -1.890 7.209 -4.559 383 HG23 ILE 53 3HG2 ILE 53 -2.991 6.654 -3.297 384 HD11 ILE 53 3HD1 ILE 53 -1.086 10.421 -5.457 385 HD12 ILE 53 1HD1 ILE 53 -2.255 9.781 -6.598 386 HD13 ILE 53 2HD1 ILE 53 -1.376 8.701 -5.536 387 H ALA 54 H ALA 54 -5.943 7.269 -3.780 388 HA ALA 54 HA ALA 54 -5.548 4.593 -3.362 389 HB1 ALA 54 1HB ALA 54 -7.233 6.216 -2.259 390 HB2 ALA 54 2HB ALA 54 -7.689 4.522 -2.405 391 HB3 ALA 54 3HB ALA 54 -8.341 5.701 -3.535 392 H ALA 55 H ALA 55 -7.261 6.144 -6.030 393 HA ALA 55 HA ALA 55 -8.381 3.749 -7.116 394 HB1 ALA 55 1HB ALA 55 -7.779 6.469 -8.278 395 HB2 ALA 55 2HB ALA 55 -9.345 5.808 -7.811 396 HB3 ALA 55 3HB ALA 55 -8.509 5.176 -9.230 397 H GLU 56 H GLU 56 -5.400 5.555 -7.755 398 HA GLU 56 HA GLU 56 -4.499 3.887 -9.876 399 HB2 GLU 56 2HB GLU 56 -3.052 5.785 -8.025 400 HB3 GLU 56 1HB GLU 56 -2.244 4.928 -9.338 401 HG2 GLU 56 2HG GLU 56 -4.675 6.695 -9.713 402 HG3 GLU 56 1HG GLU 56 -3.019 7.233 -9.968 403 H LEU 57 H LEU 57 -3.679 3.999 -6.419 404 HA LEU 57 HA LEU 57 -1.791 1.893 -6.392 405 HB2 LEU 57 2HB LEU 57 -3.802 2.566 -4.202 406 HB3 LEU 57 1HB LEU 57 -2.251 1.784 -4.001 407 HG LEU 57 HG LEU 57 -2.702 4.607 -4.912 408 HD11 LEU 57 1HD1 LEU 57 -1.531 3.387 -2.430 409 HD12 LEU 57 2HD1 LEU 57 -2.939 4.442 -2.535 410 HD13 LEU 57 3HD1 LEU 57 -1.326 5.086 -2.850 411 HD21 LEU 57 3HD2 LEU 57 -0.273 2.904 -4.905 412 HD22 LEU 57 1HD2 LEU 57 -0.109 4.625 -4.683 413 HD23 LEU 57 2HD2 LEU 57 -0.831 3.994 -6.155 414 H GLU 58 H GLU 58 -5.220 1.680 -5.440 415 HA GLU 58 HA GLU 58 -5.291 -1.120 -5.266 416 HB2 GLU 58 2HB GLU 58 -7.682 -0.919 -5.341 417 HB3 GLU 58 1HB GLU 58 -7.043 0.364 -4.389 418 HG2 GLU 58 2HG GLU 58 -8.380 1.692 -5.719 419 HG3 GLU 58 1HG GLU 58 -7.019 1.577 -6.813 420 H ASP 59 H ASP 59 -5.748 1.020 -8.025 421 HA ASP 59 HA ASP 59 -6.818 -0.834 -9.843 422 HB2 ASP 59 2HB ASP 59 -5.232 1.697 -10.108 423 HB3 ASP 59 1HB ASP 59 -5.511 0.727 -11.544 424 H HIS 60 H HIS 60 -3.607 -0.416 -8.622 425 HA HIS 60 HA HIS 60 -2.322 -1.958 -10.718 426 HB2 HIS 60 2HB HIS 60 -1.475 -0.726 -8.140 427 HB3 HIS 60 1HB HIS 60 -0.476 -2.021 -8.778 428 HD1 HIS 60 1HD HIS 60 -0.103 -1.594 -11.574 429 HD2 HIS 60 2HD HIS 60 -0.669 1.696 -9.077 430 HE1 HIS 60 1HE HIS 60 0.813 0.414 -12.817 431 HE2 HIS 60 2HE HIS 60 0.475 2.428 -11.306 432 H LEU 61 H LEU 61 -3.712 -2.622 -7.568 433 HA LEU 61 HA LEU 61 -2.934 -5.464 -7.788 434 HB2 LEU 61 2HB LEU 61 -4.213 -4.047 -5.443 435 HB3 LEU 61 1HB LEU 61 -3.489 -5.641 -5.445 436 HG LEU 61 HG LEU 61 -1.864 -4.175 -4.483 437 HD11 LEU 61 1HD1 LEU 61 -0.991 -4.302 -7.369 438 HD12 LEU 61 2HD1 LEU 61 -1.142 -5.770 -6.389 439 HD13 LEU 61 3HD1 LEU 61 -0.014 -4.506 -5.925 440 HD21 LEU 61 3HD2 LEU 61 -3.127 -2.188 -5.895 441 HD22 LEU 61 1HD2 LEU 61 -1.622 -2.346 -6.758 442 HD23 LEU 61 2HD2 LEU 61 -1.606 -1.992 -5.065 443 H ASP 62 H ASP 62 -5.179 -3.844 -9.197 444 HA ASP 62 HA ASP 62 -7.397 -4.136 -9.688 445 HB2 ASP 62 2HB ASP 62 -6.291 -6.935 -9.540 446 HB3 ASP 62 1HB ASP 62 -7.891 -6.565 -10.157 447 H VAL 63 H VAL 63 -7.723 -3.344 -7.329 448 HA VAL 63 HA VAL 63 -9.665 -5.170 -6.113 449 HB VAL 63 HB VAL 63 -8.602 -4.522 -3.813 450 HG11 VAL 63 1HG1 VAL 63 -7.086 -6.477 -3.952 451 HG12 VAL 63 2HG1 VAL 63 -7.267 -6.476 -5.701 452 HG13 VAL 63 3HG1 VAL 63 -8.659 -6.802 -4.676 453 HG21 VAL 63 3HG2 VAL 63 -6.344 -4.016 -5.769 454 HG22 VAL 63 1HG2 VAL 63 -6.071 -4.345 -4.061 455 HG23 VAL 63 2HG2 VAL 63 -6.971 -2.915 -4.544 456 H SER 64 H SER 64 -11.115 -4.112 -4.647 457 HA SER 64 HA SER 64 -11.221 -1.167 -5.038 458 HB2 SER 64 2HB SER 64 -13.475 -3.119 -4.542 459 HB3 SER 64 1HB SER 64 -13.639 -1.375 -4.722 460 HG SER 64 HG SER 64 -12.860 -3.313 -6.622 461 H LEU 65 H LEU 65 -11.275 0.106 -3.290 462 HA LEU 65 HA LEU 65 -11.289 -1.202 -0.624 463 HB2 LEU 65 2HB LEU 65 -10.275 1.589 -0.882 464 HB3 LEU 65 1HB LEU 65 -9.665 0.244 0.071 465 HG LEU 65 HG LEU 65 -8.978 -0.806 -2.205 466 HD11 LEU 65 1HD1 LEU 65 -8.611 1.807 -3.437 467 HD12 LEU 65 2HD1 LEU 65 -10.313 1.518 -3.161 468 HD13 LEU 65 3HD1 LEU 65 -9.375 0.360 -4.091 469 HD21 LEU 65 3HD2 LEU 65 -7.462 0.313 -0.468 470 HD22 LEU 65 1HD2 LEU 65 -7.571 1.765 -1.461 471 HD23 LEU 65 2HD2 LEU 65 -6.855 0.295 -2.115 472 H ASP 66 H ASP 66 -12.245 0.027 1.130 473 HA ASP 66 HA ASP 66 -14.646 1.374 0.218 474 HB2 ASP 66 2HB ASP 66 -14.019 -0.410 2.381 475 HB3 ASP 66 1HB ASP 66 -14.767 1.047 3.039 476 HA PRO 67 HA PRO 67 -13.523 5.451 1.389 477 HB2 PRO 67 2HB PRO 67 -15.998 5.547 3.080 478 HB3 PRO 67 1HB PRO 67 -15.476 6.637 1.789 479 HG2 PRO 67 2HG PRO 67 -17.420 4.840 1.420 480 HG3 PRO 67 1HG PRO 67 -16.281 5.263 0.130 481 HD2 PRO 67 2HD PRO 67 -16.406 2.785 1.794 482 HD3 PRO 67 1HD PRO 67 -15.873 3.027 0.115 483 H THR 68 H THR 68 -15.295 4.389 4.289 484 HA THR 68 HA THR 68 -13.472 5.550 6.097 485 HB THR 68 HB THR 68 -15.797 5.060 6.709 486 HG1 THR 68 1HG THR 68 -13.616 4.142 8.112 487 HG21 THR 68 3HG2 THR 68 -16.654 2.867 6.888 488 HG22 THR 68 1HG2 THR 68 -15.047 2.143 6.833 489 HG23 THR 68 2HG2 THR 68 -15.750 2.845 5.374 490 H LEU 69 H LEU 69 -13.288 2.696 4.279 491 HA LEU 69 HA LEU 69 -11.689 1.152 6.101 492 HB2 LEU 69 2HB LEU 69 -13.051 0.139 4.299 493 HB3 LEU 69 1HB LEU 69 -11.991 0.860 3.108 494 HG LEU 69 HG LEU 69 -10.880 -0.875 5.321 495 HD11 LEU 69 1HD1 LEU 69 -10.984 -2.774 3.754 496 HD12 LEU 69 2HD1 LEU 69 -11.897 -1.780 2.618 497 HD13 LEU 69 3HD1 LEU 69 -12.597 -2.201 4.181 498 HD21 LEU 69 3HD2 LEU 69 -9.412 -1.222 2.978 499 HD22 LEU 69 1HD2 LEU 69 -8.983 -0.152 4.302 500 HD23 LEU 69 2HD2 LEU 69 -9.848 0.466 2.889 501 H ILE 70 H ILE 70 -11.044 3.327 3.384 502 HA ILE 70 HA ILE 70 -8.277 2.865 3.151 503 HB ILE 70 HB ILE 70 -9.968 5.294 2.544 504 HG12 ILE 70 2HG1 ILE 70 -8.615 3.360 0.652 505 HG13 ILE 70 1HG1 ILE 70 -10.235 3.074 1.269 506 HG21 ILE 70 1HG2 ILE 70 -7.920 5.900 1.110 507 HG22 ILE 70 2HG2 ILE 70 -7.028 4.745 2.101 508 HG23 ILE 70 3HG2 ILE 70 -7.773 6.161 2.848 509 HD11 ILE 70 3HD1 ILE 70 -11.068 5.100 0.288 510 HD12 ILE 70 1HD1 ILE 70 -10.137 4.276 -0.965 511 HD13 ILE 70 2HD1 ILE 70 -9.433 5.648 -0.106 512 H TRP 71 H TRP 71 -10.140 5.087 5.176 513 HA TRP 71 HA TRP 71 -7.798 6.277 6.355 514 HB2 TRP 71 2HB TRP 71 -10.727 6.421 7.061 515 HB3 TRP 71 1HB TRP 71 -9.468 7.299 7.932 516 HD1 TRP 71 HD TRP 71 -11.819 7.793 5.242 517 HE1 TRP 71 1HE TRP 71 -11.099 9.718 3.682 518 HE3 TRP 71 3HE TRP 71 -6.950 8.354 6.701 519 HZ2 TRP 71 2HZ TRP 71 -8.766 11.281 3.126 520 HZ3 TRP 71 3HZ TRP 71 -5.516 10.052 5.639 521 HH2 TRP 71 HH TRP 71 -6.402 11.513 3.853 522 H ASP 72 H ASP 72 -9.119 3.295 6.630 523 HA ASP 72 HA ASP 72 -8.714 3.005 9.533 524 HB2 ASP 72 2HB ASP 72 -10.682 1.957 8.375 525 HB3 ASP 72 1HB ASP 72 -9.549 0.893 7.533 526 H HIS 73 H HIS 73 -7.284 2.114 6.444 527 HA HIS 73 HA HIS 73 -4.983 0.915 7.914 528 HB2 HIS 73 2HB HIS 73 -5.868 0.213 5.107 529 HB3 HIS 73 1HB HIS 73 -4.649 -0.598 6.101 530 HD1 HIS 73 1HD HIS 73 -6.538 -0.386 8.741 531 HD2 HIS 73 2HD HIS 73 -7.523 -2.118 5.081 532 HE1 HIS 73 1HE HIS 73 -8.400 -2.037 9.206 533 HE2 HIS 73 2HE HIS 73 -9.008 -3.105 6.987 534 HA PRO 74 HA PRO 74 -3.775 4.592 5.195 535 HB2 PRO 74 2HB PRO 74 -3.029 6.323 7.187 536 HB3 PRO 74 1HB PRO 74 -4.679 6.226 6.557 537 HG2 PRO 74 2HG PRO 74 -3.543 5.010 9.037 538 HG3 PRO 74 1HG PRO 74 -5.101 5.839 8.794 539 HD2 PRO 74 2HD PRO 74 -4.908 3.112 8.849 540 HD3 PRO 74 1HD PRO 74 -6.095 3.988 7.856 541 H THR 75 H THR 75 -2.477 2.360 7.221 542 HA THR 75 HA THR 75 0.311 3.327 6.828 543 HB THR 75 HB THR 75 0.844 1.763 8.743 544 HG1 THR 75 1HG THR 75 -1.625 1.058 8.377 545 HG21 THR 75 3HG2 THR 75 0.810 4.118 9.170 546 HG22 THR 75 1HG2 THR 75 -0.128 3.364 10.462 547 HG23 THR 75 2HG2 THR 75 -0.956 4.163 9.125 548 H ILE 76 H ILE 76 1.892 1.762 6.301 549 HA ILE 76 HA ILE 76 1.102 -0.069 4.296 550 HB ILE 76 HB ILE 76 3.695 0.180 5.832 551 HG12 ILE 76 2HG1 ILE 76 2.708 1.191 3.150 552 HG13 ILE 76 1HG1 ILE 76 3.239 2.151 4.522 553 HG21 ILE 76 1HG2 ILE 76 3.101 -1.360 3.287 554 HG22 ILE 76 2HG2 ILE 76 3.409 -2.102 4.847 555 HG23 ILE 76 3HG2 ILE 76 4.674 -1.212 4.059 556 HD11 ILE 76 3HD1 ILE 76 4.849 0.731 2.494 557 HD12 ILE 76 1HD1 ILE 76 5.464 0.621 4.132 558 HD13 ILE 76 2HD1 ILE 76 5.223 2.198 3.379 559 H ASP 77 H ASP 77 2.017 -0.515 7.692 560 HA ASP 77 HA ASP 77 2.120 -3.286 7.813 561 HB2 ASP 77 2HB ASP 77 2.714 -1.860 9.712 562 HB3 ASP 77 1HB ASP 77 1.034 -1.351 9.881 563 H ALA 78 H ALA 78 -0.730 -1.161 8.199 564 HA ALA 78 HA ALA 78 -2.562 -3.327 8.531 565 HB1 ALA 78 1HB ALA 78 -3.085 -1.118 9.409 566 HB2 ALA 78 2HB ALA 78 -4.290 -1.571 8.204 567 HB3 ALA 78 3HB ALA 78 -3.015 -0.427 7.788 568 H LEU 79 H LEU 79 -1.775 -1.169 5.806 569 HA LEU 79 HA LEU 79 -3.594 -2.281 4.009 570 HB2 LEU 79 2HB LEU 79 -1.877 -0.167 3.905 571 HB3 LEU 79 1HB LEU 79 -0.975 -1.302 2.930 572 HG LEU 79 HG LEU 79 -2.397 -0.073 1.427 573 HD11 LEU 79 1HD1 LEU 79 -2.277 -2.691 1.313 574 HD12 LEU 79 2HD1 LEU 79 -3.417 -1.852 0.309 575 HD13 LEU 79 3HD1 LEU 79 -3.952 -2.630 1.793 576 HD21 LEU 79 3HD2 LEU 79 -4.964 -0.977 2.673 577 HD22 LEU 79 1HD2 LEU 79 -4.564 0.557 1.918 578 HD23 LEU 79 2HD2 LEU 79 -4.097 0.251 3.580 579 H SER 80 H SER 80 -0.187 -3.058 4.593 580 HA SER 80 HA SER 80 0.114 -5.020 2.613 581 HB2 SER 80 2HB SER 80 1.996 -5.832 3.999 582 HB3 SER 80 1HB SER 80 2.021 -4.081 3.822 583 HG SER 80 HG SER 80 1.101 -5.615 6.027 584 H THR 81 H THR 81 -0.787 -5.335 6.048 585 HA THR 81 HA THR 81 -1.104 -8.117 6.126 586 HB THR 81 HB THR 81 -2.647 -5.991 7.630 587 HG1 THR 81 1HG THR 81 -0.480 -5.847 8.051 588 HG21 THR 81 3HG2 THR 81 -2.328 -8.970 8.060 589 HG22 THR 81 1HG2 THR 81 -3.831 -8.088 7.788 590 HG23 THR 81 2HG2 THR 81 -2.938 -7.868 9.293 591 H ALA 82 H ALA 82 -3.389 -5.572 5.186 592 HA ALA 82 HA ALA 82 -5.597 -7.338 4.764 593 HB1 ALA 82 1HB ALA 82 -6.586 -5.398 3.556 594 HB2 ALA 82 2HB ALA 82 -5.046 -4.552 3.709 595 HB3 ALA 82 3HB ALA 82 -5.972 -4.962 5.151 596 H LEU 83 H LEU 83 -3.050 -5.975 2.650 597 HA LEU 83 HA LEU 83 -4.144 -6.843 0.229 598 HB2 LEU 83 2HB LEU 83 -2.034 -5.289 0.887 599 HB3 LEU 83 1HB LEU 83 -1.145 -6.779 0.569 600 HG LEU 83 HG LEU 83 -3.044 -5.369 -1.330 601 HD11 LEU 83 1HD1 LEU 83 -0.845 -5.426 -2.710 602 HD12 LEU 83 2HD1 LEU 83 -0.056 -5.734 -1.159 603 HD13 LEU 83 3HD1 LEU 83 -0.976 -4.251 -1.403 604 HD21 LEU 83 3HD2 LEU 83 -2.118 -7.222 -2.899 605 HD22 LEU 83 1HD2 LEU 83 -3.391 -7.675 -1.765 606 HD23 LEU 83 2HD2 LEU 83 -1.712 -8.062 -1.418 607 H VAL 84 H VAL 84 -1.662 -8.342 2.310 608 HA VAL 84 HA VAL 84 -1.333 -10.685 0.763 609 HB VAL 84 HB VAL 84 0.253 -9.962 2.521 610 HG11 VAL 84 1HG1 VAL 84 -0.299 -10.267 4.867 611 HG12 VAL 84 2HG1 VAL 84 -1.879 -10.927 4.453 612 HG13 VAL 84 3HG1 VAL 84 -1.509 -9.247 4.124 613 HG21 VAL 84 3HG2 VAL 84 0.358 -12.278 1.826 614 HG22 VAL 84 1HG2 VAL 84 -1.011 -12.706 2.851 615 HG23 VAL 84 2HG2 VAL 84 0.504 -12.244 3.585 616 H ALA 85 H ALA 85 -3.682 -9.738 3.198 617 HA ALA 85 HA ALA 85 -4.732 -12.256 3.807 618 HB1 ALA 85 1HB ALA 85 -5.245 -10.140 5.028 619 HB2 ALA 85 2HB ALA 85 -6.677 -11.088 4.622 620 HB3 ALA 85 3HB ALA 85 -6.261 -9.673 3.667 621 H GLU 86 H GLU 86 -5.273 -10.098 1.117 622 HA GLU 86 HA GLU 86 -7.606 -11.238 0.041 623 HB2 GLU 86 2HB GLU 86 -5.225 -10.050 -1.425 624 HB3 GLU 86 1HB GLU 86 -6.825 -10.320 -2.121 625 HG2 GLU 86 2HG GLU 86 -6.272 -8.580 0.283 626 HG3 GLU 86 1HG GLU 86 -6.502 -7.973 -1.343 627 H LEU 87 H LEU 87 -4.446 -12.534 0.315 628 HA LEU 87 HA LEU 87 -4.993 -14.599 -1.730 629 HB2 LEU 87 2HB LEU 87 -2.440 -13.618 -0.444 630 HB3 LEU 87 1HB LEU 87 -2.513 -15.084 -1.410 631 HG LEU 87 HG LEU 87 -3.553 -12.445 -2.464 632 HD11 LEU 87 1HD1 LEU 87 -0.761 -13.578 -2.836 633 HD12 LEU 87 2HD1 LEU 87 -1.153 -12.214 -1.788 634 HD13 LEU 87 3HD1 LEU 87 -1.392 -12.082 -3.530 635 HD21 LEU 87 3HD2 LEU 87 -4.287 -14.233 -3.833 636 HD22 LEU 87 1HD2 LEU 87 -2.786 -15.133 -3.634 637 HD23 LEU 87 2HD2 LEU 87 -2.830 -13.691 -4.638 638 H ARG 88 H ARG 88 -4.783 -14.056 1.635 639 HA ARG 88 HA ARG 88 -4.002 -16.671 2.444 640 HB2 ARG 88 2HB ARG 88 -4.269 -15.888 4.592 641 HB3 ARG 88 1HB ARG 88 -4.240 -14.359 3.755 642 HG2 ARG 88 2HG ARG 88 -6.730 -14.404 3.634 643 HG3 ARG 88 1HG ARG 88 -6.730 -15.894 4.555 644 HD2 ARG 88 2HD ARG 88 -5.542 -14.757 6.382 645 HD3 ARG 88 1HD ARG 88 -5.711 -13.251 5.519 646 HE ARG 88 HE ARG 88 -8.260 -14.383 5.708 647 HH11 ARG 88 1HH2 ARG 88 -5.747 -13.076 7.698 648 HH12 ARG 88 2HH2 ARG 88 -6.827 -12.507 8.927 649 HH21 ARG 88 1HH1 ARG 88 -9.682 -13.639 7.316 650 HH22 ARG 88 2HH1 ARG 88 -9.054 -12.826 8.711 651 H SER 89 H SER 89 -5.532 -18.014 3.842 652 HA SER 89 HA SER 89 -8.321 -18.010 3.088 653 HB2 SER 89 2HB SER 89 -8.222 -20.315 2.096 654 HB3 SER 89 1HB SER 89 -7.466 -19.072 1.103 655 HG SER 89 HG SER 89 -6.375 -21.252 2.325 656 H ALA 90 H ALA 90 -9.538 -19.716 4.179 657 HA ALA 90 HA ALA 90 -8.215 -21.316 6.190 658 HB1 ALA 90 1HB ALA 90 -9.928 -18.961 7.014 659 HB2 ALA 90 2HB ALA 90 -8.217 -19.195 7.369 660 HB3 ALA 90 3HB ALA 90 -9.422 -20.257 8.097 Start of MODEL 29 1 H1 GLY 1 1HT GLY 1 2.012 -10.713 -19.824 2 H2 GLY 1 2HT GLY 1 3.306 -9.619 -19.689 3 H3 GLY 1 3HT GLY 1 2.064 -9.337 -20.813 4 HA2 GLY 1 2HA GLY 1 0.498 -8.847 -19.149 5 HA3 GLY 1 1HA GLY 1 1.577 -9.460 -17.896 6 H HIS 2 H HIS 2 3.954 -8.356 -18.389 7 HA HIS 2 HA HIS 2 5.216 -6.447 -18.230 8 HB2 HIS 2 2HB HIS 2 3.826 -5.918 -20.377 9 HB3 HIS 2 1HB HIS 2 2.919 -4.830 -19.331 10 HD1 HIS 2 1HD HIS 2 4.290 -2.880 -18.167 11 HD2 HIS 2 2HD HIS 2 6.384 -4.999 -21.083 12 HE1 HIS 2 1HE HIS 2 6.331 -1.492 -18.734 13 HE2 HIS 2 2HE HIS 2 7.618 -2.771 -20.511 14 H MET 3 H MET 3 1.800 -5.622 -17.563 15 HA MET 3 HA MET 3 2.367 -3.746 -15.532 16 HB2 MET 3 2HB MET 3 -0.075 -5.332 -16.305 17 HB3 MET 3 1HB MET 3 -0.088 -4.324 -14.857 18 HG2 MET 3 2HG MET 3 -0.932 -3.032 -16.750 19 HG3 MET 3 1HG MET 3 0.619 -2.375 -16.235 20 HE1 MET 3 3HE MET 3 -0.398 -4.865 -19.910 21 HE2 MET 3 1HE MET 3 -1.368 -3.487 -19.373 22 HE3 MET 3 2HE MET 3 -1.160 -4.885 -18.323 23 H SER 4 H SER 4 1.807 -7.227 -15.479 24 HA SER 4 HA SER 4 2.306 -7.236 -12.551 25 HB2 SER 4 2HB SER 4 1.342 -9.564 -12.693 26 HB3 SER 4 1HB SER 4 0.208 -8.261 -13.035 27 HG SER 4 HG SER 4 1.549 -9.973 -14.851 28 H ASP 5 H ASP 5 4.528 -7.254 -12.490 29 HA ASP 5 HA ASP 5 6.018 -9.164 -14.118 30 HB2 ASP 5 2HB ASP 5 6.896 -7.122 -12.065 31 HB3 ASP 5 1HB ASP 5 7.993 -8.155 -12.980 32 H LEU 6 H LEU 6 4.137 -9.680 -11.634 33 HA LEU 6 HA LEU 6 5.998 -11.595 -10.329 34 HB2 LEU 6 2HB LEU 6 4.699 -11.274 -8.250 35 HB3 LEU 6 1HB LEU 6 5.524 -9.803 -8.765 36 HG LEU 6 HG LEU 6 2.755 -10.158 -9.841 37 HD11 LEU 6 1HD1 LEU 6 3.277 -9.502 -6.939 38 HD12 LEU 6 2HD1 LEU 6 2.491 -10.967 -7.532 39 HD13 LEU 6 3HD1 LEU 6 1.720 -9.393 -7.757 40 HD21 LEU 6 3HD2 LEU 6 3.990 -7.793 -8.438 41 HD22 LEU 6 1HD2 LEU 6 2.710 -7.805 -9.650 42 HD23 LEU 6 2HD2 LEU 6 4.371 -8.170 -10.117 43 H SER 7 H SER 7 4.341 -13.065 -8.874 44 HA SER 7 HA SER 7 2.647 -14.375 -10.902 45 HB2 SER 7 2HB SER 7 4.367 -15.717 -9.710 46 HB3 SER 7 1HB SER 7 3.544 -15.375 -8.190 47 HG SER 7 HG SER 7 2.971 -17.211 -10.078 48 H THR 8 H THR 8 0.699 -15.577 -9.778 49 HA THR 8 HA THR 8 -0.997 -13.490 -8.701 50 HB THR 8 HB THR 8 -2.684 -15.431 -8.705 51 HG1 THR 8 1HG THR 8 -0.373 -16.674 -9.396 52 HG21 THR 8 3HG2 THR 8 -1.311 -14.633 -11.288 53 HG22 THR 8 1HG2 THR 8 -2.569 -13.708 -10.466 54 HG23 THR 8 2HG2 THR 8 -2.945 -15.287 -11.158 55 H ALA 9 H ALA 9 1.314 -14.982 -7.216 56 HA ALA 9 HA ALA 9 -0.193 -15.295 -4.686 57 HB1 ALA 9 1HB ALA 9 0.249 -17.534 -5.625 58 HB2 ALA 9 2HB ALA 9 1.083 -17.251 -4.094 59 HB3 ALA 9 3HB ALA 9 1.976 -17.172 -5.613 60 HA PRO 10 HA PRO 10 3.666 -12.490 -4.675 61 HB2 PRO 10 2HB PRO 10 2.228 -10.539 -3.247 62 HB3 PRO 10 1HB PRO 10 2.575 -10.495 -4.967 63 HG2 PRO 10 2HG PRO 10 0.119 -11.381 -3.556 64 HG3 PRO 10 1HG PRO 10 0.279 -10.521 -5.095 65 HD2 PRO 10 2HD PRO 10 -0.327 -13.113 -5.039 66 HD3 PRO 10 1HD PRO 10 0.768 -12.483 -6.285 67 H THR 11 H THR 11 4.831 -11.804 -2.749 68 HA THR 11 HA THR 11 4.010 -13.322 -0.324 69 HB THR 11 HB THR 11 6.801 -12.400 -1.046 70 HG1 THR 11 1HG THR 11 5.432 -14.154 -2.329 71 HG21 THR 11 3HG2 THR 11 7.358 -14.258 0.573 72 HG22 THR 11 1HG2 THR 11 5.640 -14.367 0.942 73 HG23 THR 11 2HG2 THR 11 6.523 -12.884 1.298 74 H LEU 12 H LEU 12 4.500 -12.381 1.732 75 HA LEU 12 HA LEU 12 3.543 -9.827 2.119 76 HB2 LEU 12 2HB LEU 12 5.335 -11.626 3.728 77 HB3 LEU 12 1HB LEU 12 5.063 -9.984 4.296 78 HG LEU 12 HG LEU 12 2.635 -11.536 3.450 79 HD11 LEU 12 1HD1 LEU 12 2.513 -12.573 5.726 80 HD12 LEU 12 2HD1 LEU 12 4.188 -12.084 5.991 81 HD13 LEU 12 3HD1 LEU 12 3.797 -13.237 4.711 82 HD21 LEU 12 3HD2 LEU 12 3.321 -9.605 5.696 83 HD22 LEU 12 1HD2 LEU 12 1.745 -10.344 5.481 84 HD23 LEU 12 2HD2 LEU 12 2.378 -9.257 4.248 85 H ASP 13 H ASP 13 6.928 -10.824 1.756 86 HA ASP 13 HA ASP 13 8.039 -8.251 2.155 87 HB2 ASP 13 2HB ASP 13 9.293 -10.331 0.384 88 HB3 ASP 13 1HB ASP 13 10.078 -9.180 1.446 89 H SER 14 H SER 14 6.908 -9.961 -0.748 90 HA SER 14 HA SER 14 7.895 -8.069 -2.615 91 HB2 SER 14 2HB SER 14 6.521 -9.199 -4.208 92 HB3 SER 14 1HB SER 14 7.268 -10.404 -3.164 93 HG SER 14 HG SER 14 4.781 -9.333 -2.451 94 H LEU 15 H LEU 15 4.778 -8.481 -0.971 95 HA LEU 15 HA LEU 15 3.537 -6.305 -2.304 96 HB2 LEU 15 2HB LEU 15 2.800 -7.603 0.324 97 HB3 LEU 15 1HB LEU 15 1.754 -6.576 -0.628 98 HG LEU 15 HG LEU 15 2.959 -9.160 -1.613 99 HD11 LEU 15 1HD1 LEU 15 0.476 -9.860 -1.500 100 HD12 LEU 15 2HD1 LEU 15 0.286 -8.479 -0.407 101 HD13 LEU 15 3HD1 LEU 15 1.372 -9.795 0.021 102 HD21 LEU 15 3HD2 LEU 15 0.953 -8.725 -3.302 103 HD22 LEU 15 1HD2 LEU 15 2.506 -7.938 -3.547 104 HD23 LEU 15 2HD2 LEU 15 1.170 -7.055 -2.805 105 H ARG 16 H ARG 16 4.308 -6.635 1.146 106 HA ARG 16 HA ARG 16 4.081 -4.146 2.106 107 HB2 ARG 16 2HB ARG 16 5.012 -5.978 3.442 108 HB3 ARG 16 1HB ARG 16 6.503 -5.913 2.515 109 HG2 ARG 16 2HG ARG 16 5.668 -3.302 3.673 110 HG3 ARG 16 1HG ARG 16 6.074 -4.529 4.869 111 HD2 ARG 16 2HD ARG 16 8.231 -4.927 3.616 112 HD3 ARG 16 1HD ARG 16 7.835 -3.550 2.608 113 HE ARG 16 HE ARG 16 7.653 -2.691 5.251 114 HH11 ARG 16 1HH2 ARG 16 9.989 -3.960 3.036 115 HH12 ARG 16 2HH2 ARG 16 11.329 -3.130 3.757 116 HH21 ARG 16 1HH1 ARG 16 9.402 -1.600 6.201 117 HH22 ARG 16 2HH1 ARG 16 10.995 -1.792 5.548 118 H VAL 17 H VAL 17 7.006 -5.242 0.332 119 HA VAL 17 HA VAL 17 8.292 -2.735 0.300 120 HB VAL 17 HB VAL 17 9.641 -3.690 -1.527 121 HG11 VAL 17 1HG1 VAL 17 10.095 -5.996 -0.261 122 HG12 VAL 17 2HG1 VAL 17 8.974 -5.313 0.920 123 HG13 VAL 17 3HG1 VAL 17 10.454 -4.449 0.524 124 HG21 VAL 17 3HG2 VAL 17 7.412 -5.642 -1.529 125 HG22 VAL 17 1HG2 VAL 17 8.982 -6.141 -2.116 126 HG23 VAL 17 2HG2 VAL 17 8.107 -4.828 -2.907 127 H TRP 18 H TRP 18 5.913 -4.206 -1.869 128 HA TRP 18 HA TRP 18 6.114 -2.315 -3.960 129 HB2 TRP 18 2HB TRP 18 4.511 -3.635 -4.880 130 HB3 TRP 18 1HB TRP 18 4.588 -4.594 -3.412 131 HD1 TRP 18 HD TRP 18 2.465 -4.528 -1.883 132 HE1 TRP 18 1HE TRP 18 0.289 -3.299 -1.855 133 HE3 TRP 18 3HE TRP 18 3.402 -1.170 -5.585 134 HZ2 TRP 18 2HZ TRP 18 -0.959 -1.130 -3.233 135 HZ3 TRP 18 3HZ TRP 18 1.683 0.475 -6.208 136 HH2 TRP 18 HH TRP 18 -0.505 0.482 -5.008 137 H LEU 19 H LEU 19 3.911 -2.455 -1.158 138 HA LEU 19 HA LEU 19 2.451 -0.138 -1.689 139 HB2 LEU 19 2HB LEU 19 3.052 -1.822 0.666 140 HB3 LEU 19 1HB LEU 19 2.679 -0.160 1.072 141 HG LEU 19 HG LEU 19 0.859 -1.426 -0.913 142 HD11 LEU 19 1HD1 LEU 19 0.973 -2.240 1.964 143 HD12 LEU 19 2HD1 LEU 19 1.029 -3.284 0.544 144 HD13 LEU 19 3HD1 LEU 19 -0.446 -2.426 0.945 145 HD21 LEU 19 3HD2 LEU 19 -0.734 -0.018 0.066 146 HD22 LEU 19 1HD2 LEU 19 0.746 0.936 0.094 147 HD23 LEU 19 2HD2 LEU 19 0.196 0.132 1.558 148 H VAL 20 H VAL 20 5.192 -0.357 0.625 149 HA VAL 20 HA VAL 20 5.452 2.395 0.994 150 HB VAL 20 HB VAL 20 6.537 0.657 2.395 151 HG11 VAL 20 1HG1 VAL 20 7.264 -0.649 0.293 152 HG12 VAL 20 2HG1 VAL 20 8.393 -0.593 1.638 153 HG13 VAL 20 3HG1 VAL 20 8.641 0.447 0.239 154 HG21 VAL 20 3HG2 VAL 20 8.650 1.871 2.719 155 HG22 VAL 20 1HG2 VAL 20 7.334 3.004 2.418 156 HG23 VAL 20 2HG2 VAL 20 8.477 2.621 1.135 157 H ASP 21 H ASP 21 7.186 0.262 -1.281 158 HA ASP 21 HA ASP 21 8.815 2.202 -2.458 159 HB2 ASP 21 2HB ASP 21 9.089 -0.198 -2.886 160 HB3 ASP 21 1HB ASP 21 7.541 -0.238 -3.733 161 H CYS 22 H CYS 22 5.433 1.440 -2.980 162 HA CYS 22 HA CYS 22 5.059 2.861 -5.404 163 HB2 CYS 22 2HB CYS 22 3.449 1.216 -4.339 164 HB3 CYS 22 1HB CYS 22 2.984 2.510 -3.243 165 HG CYS 22 HG CYS 22 2.390 2.431 -6.278 166 H VAL 23 H VAL 23 4.646 3.808 -1.997 167 HA VAL 23 HA VAL 23 3.769 6.456 -2.487 168 HB VAL 23 HB VAL 23 5.440 5.562 -0.150 169 HG11 VAL 23 1HG1 VAL 23 3.142 7.521 -0.237 170 HG12 VAL 23 2HG1 VAL 23 4.806 8.024 -0.511 171 HG13 VAL 23 3HG1 VAL 23 4.344 7.323 1.037 172 HG21 VAL 23 3HG2 VAL 23 2.496 5.166 -0.714 173 HG22 VAL 23 1HG2 VAL 23 3.201 5.018 0.906 174 HG23 VAL 23 2HG2 VAL 23 3.696 3.918 -0.392 175 H ALA 24 H ALA 24 7.052 5.183 -1.829 176 HA ALA 24 HA ALA 24 8.492 7.540 -1.902 177 HB1 ALA 24 1HB ALA 24 9.275 5.095 -1.522 178 HB2 ALA 24 2HB ALA 24 10.396 6.228 -2.273 179 HB3 ALA 24 3HB ALA 24 9.519 5.061 -3.266 180 H GLY 25 H GLY 25 7.640 5.446 -4.654 181 HA2 GLY 25 2HA GLY 25 8.811 7.057 -6.661 182 HA3 GLY 25 1HA GLY 25 7.522 5.885 -6.919 183 H HIS 26 H HIS 26 5.473 6.935 -5.408 184 HA HIS 26 HA HIS 26 4.319 8.798 -7.127 185 HB2 HIS 26 2HB HIS 26 3.742 8.047 -4.258 186 HB3 HIS 26 1HB HIS 26 2.767 9.246 -5.108 187 HD1 HIS 26 1HD HIS 26 2.281 8.160 -7.791 188 HD2 HIS 26 2HD HIS 26 2.430 5.634 -4.479 189 HE1 HIS 26 1HE HIS 26 1.044 6.050 -8.445 190 HE2 HIS 26 2HE HIS 26 1.125 4.502 -6.436 191 H LEU 27 H LEU 27 5.724 9.404 -3.874 192 HA LEU 27 HA LEU 27 5.555 12.270 -4.273 193 HB2 LEU 27 2HB LEU 27 6.902 10.710 -2.059 194 HB3 LEU 27 1HB LEU 27 6.451 12.414 -2.032 195 HG LEU 27 HG LEU 27 4.508 10.104 -2.309 196 HD11 LEU 27 1HD1 LEU 27 3.896 10.507 -0.030 197 HD12 LEU 27 2HD1 LEU 27 4.841 11.994 0.032 198 HD13 LEU 27 3HD1 LEU 27 5.660 10.433 -0.045 199 HD21 LEU 27 3HD2 LEU 27 3.473 11.924 -3.372 200 HD22 LEU 27 1HD2 LEU 27 4.229 13.107 -2.304 201 HD23 LEU 27 2HD2 LEU 27 2.907 12.098 -1.715 202 H GLY 28 H GLY 28 8.035 9.776 -4.299 203 HA2 GLY 28 2HA GLY 28 9.940 9.953 -5.745 204 HA3 GLY 28 1HA GLY 28 9.888 11.700 -5.550 205 H LEU 29 H LEU 29 9.279 10.714 -2.545 206 HA LEU 29 HA LEU 29 11.903 11.253 -1.576 207 HB2 LEU 29 2HB LEU 29 9.629 9.985 -0.038 208 HB3 LEU 29 1HB LEU 29 10.974 10.930 0.604 209 HG LEU 29 HG LEU 29 8.797 11.965 -1.229 210 HD11 LEU 29 1HD1 LEU 29 8.206 13.345 0.767 211 HD12 LEU 29 2HD1 LEU 29 9.397 12.442 1.703 212 HD13 LEU 29 3HD1 LEU 29 7.986 11.617 1.042 213 HD21 LEU 29 3HD2 LEU 29 11.326 13.178 -0.107 214 HD22 LEU 29 1HD2 LEU 29 9.945 14.198 -0.511 215 HD23 LEU 29 2HD2 LEU 29 10.718 13.231 -1.763 216 H ASP 30 H ASP 30 12.554 9.566 0.346 217 HA ASP 30 HA ASP 30 13.332 7.152 -1.117 218 HB2 ASP 30 2HB ASP 30 14.172 8.363 1.507 219 HB3 ASP 30 1HB ASP 30 14.691 6.759 1.009 220 H ALA 31 H ALA 31 12.623 5.139 -0.702 221 HA ALA 31 HA ALA 31 10.184 4.709 0.588 222 HB1 ALA 31 1HB ALA 31 12.319 2.690 -0.043 223 HB2 ALA 31 2HB ALA 31 11.054 3.228 -1.150 224 HB3 ALA 31 3HB ALA 31 10.627 2.339 0.311 225 H ALA 32 H ALA 32 13.487 4.501 1.768 226 HA ALA 32 HA ALA 32 12.873 3.055 4.137 227 HB1 ALA 32 1HB ALA 32 15.235 4.746 3.304 228 HB2 ALA 32 2HB ALA 32 15.120 2.987 3.329 229 HB3 ALA 32 3HB ALA 32 15.159 3.889 4.843 230 H THR 33 H THR 33 12.259 6.231 3.212 231 HA THR 33 HA THR 33 11.829 7.017 6.038 232 HB THR 33 HB THR 33 12.401 9.355 5.298 233 HG1 THR 33 1HG THR 33 13.186 7.878 3.035 234 HG21 THR 33 3HG2 THR 33 14.570 7.241 5.111 235 HG22 THR 33 1HG2 THR 33 13.980 7.987 6.597 236 HG23 THR 33 2HG2 THR 33 14.851 8.957 5.409 237 H ILE 34 H ILE 34 10.023 5.854 3.996 238 HA ILE 34 HA ILE 34 8.331 8.026 3.120 239 HB ILE 34 HB ILE 34 8.238 5.024 3.048 240 HG12 ILE 34 2HG1 ILE 34 9.239 6.468 1.244 241 HG13 ILE 34 1HG1 ILE 34 7.941 5.425 0.663 242 HG21 ILE 34 1HG2 ILE 34 5.850 6.858 2.868 243 HG22 ILE 34 2HG2 ILE 34 5.993 5.322 3.726 244 HG23 ILE 34 3HG2 ILE 34 5.893 5.332 1.996 245 HD11 ILE 34 3HD1 ILE 34 8.145 8.332 0.691 246 HD12 ILE 34 1HD1 ILE 34 6.672 7.818 1.488 247 HD13 ILE 34 2HD1 ILE 34 6.988 7.306 -0.153 248 H ALA 35 H ALA 35 7.385 5.249 5.133 249 HA ALA 35 HA ALA 35 6.755 6.488 7.481 250 HB1 ALA 35 1HB ALA 35 4.701 6.988 5.363 251 HB2 ALA 35 2HB ALA 35 5.261 8.057 6.659 252 HB3 ALA 35 3HB ALA 35 4.160 6.742 7.026 253 H THR 36 H THR 36 7.254 3.881 5.989 254 HA THR 36 HA THR 36 5.407 1.989 6.011 255 HB THR 36 HB THR 36 7.066 0.419 6.962 256 HG1 THR 36 1HG THR 36 8.144 1.309 8.539 257 HG21 THR 36 3HG2 THR 36 7.349 1.177 4.642 258 HG22 THR 36 1HG2 THR 36 8.919 0.942 5.408 259 HG23 THR 36 2HG2 THR 36 8.274 2.570 5.201 260 H ASP 37 H ASP 37 6.796 3.341 9.026 261 HA ASP 37 HA ASP 37 4.711 1.915 10.564 262 HB2 ASP 37 2HB ASP 37 7.122 1.681 11.224 263 HB3 ASP 37 1HB ASP 37 7.161 3.411 11.557 264 H LEU 38 H LEU 38 4.317 4.382 8.909 265 HA LEU 38 HA LEU 38 3.039 5.962 10.988 266 HB2 LEU 38 2HB LEU 38 5.184 6.875 9.125 267 HB3 LEU 38 1HB LEU 38 3.843 7.989 9.317 268 HG LEU 38 HG LEU 38 4.352 7.274 11.962 269 HD11 LEU 38 1HD1 LEU 38 6.661 7.149 12.342 270 HD12 LEU 38 2HD1 LEU 38 7.046 7.660 10.697 271 HD13 LEU 38 3HD1 LEU 38 6.396 6.049 10.988 272 HD21 LEU 38 3HD2 LEU 38 3.974 9.522 11.341 273 HD22 LEU 38 1HD2 LEU 38 5.360 9.537 10.252 274 HD23 LEU 38 2HD2 LEU 38 5.609 9.479 11.999 275 HA PRO 39 HA PRO 39 -0.371 6.103 8.270 276 HB2 PRO 39 2HB PRO 39 -1.366 8.632 8.754 277 HB3 PRO 39 1HB PRO 39 -1.563 7.264 9.864 278 HG2 PRO 39 2HG PRO 39 0.407 9.505 9.958 279 HG3 PRO 39 1HG PRO 39 -0.500 8.743 11.279 280 HD2 PRO 39 2HD PRO 39 2.105 8.155 10.802 281 HD3 PRO 39 1HD PRO 39 0.968 6.945 11.432 282 H LEU 40 H LEU 40 -1.366 7.420 6.462 283 HA LEU 40 HA LEU 40 0.680 8.236 4.619 284 HB2 LEU 40 2HB LEU 40 -1.073 8.418 3.004 285 HB3 LEU 40 1HB LEU 40 -1.441 7.006 3.989 286 HG LEU 40 HG LEU 40 -2.620 9.758 4.476 287 HD11 LEU 40 1HD1 LEU 40 -4.072 7.379 3.378 288 HD12 LEU 40 2HD1 LEU 40 -3.283 8.541 2.312 289 HD13 LEU 40 3HD1 LEU 40 -4.573 9.069 3.392 290 HD21 LEU 40 3HD2 LEU 40 -2.699 8.617 6.520 291 HD22 LEU 40 1HD2 LEU 40 -2.932 7.054 5.734 292 HD23 LEU 40 2HD2 LEU 40 -4.246 8.221 5.795 293 H THR 41 H THR 41 -1.439 9.829 6.837 294 HA THR 41 HA THR 41 -1.756 12.344 5.753 295 HB THR 41 HB THR 41 -1.828 13.172 8.084 296 HG1 THR 41 1HG THR 41 -1.534 11.325 9.642 297 HG21 THR 41 3HG2 THR 41 -3.718 11.885 8.746 298 HG22 THR 41 1HG2 THR 41 -3.111 10.442 7.935 299 HG23 THR 41 2HG2 THR 41 -3.696 11.809 6.985 300 H SER 42 H SER 42 1.125 10.918 7.245 301 HA SER 42 HA SER 42 2.716 13.054 7.742 302 HB2 SER 42 2HB SER 42 4.549 11.600 7.502 303 HB3 SER 42 1HB SER 42 3.221 10.482 7.803 304 HG SER 42 HG SER 42 4.486 9.874 5.989 305 H TYR 43 H TYR 43 1.744 11.832 4.588 306 HA TYR 43 HA TYR 43 3.609 13.419 3.085 307 HB2 TYR 43 2HB TYR 43 1.014 12.354 2.000 308 HB3 TYR 43 1HB TYR 43 2.553 12.527 1.187 309 HD1 TYR 43 1HD TYR 43 4.300 11.359 3.446 310 HD2 TYR 43 2HD TYR 43 0.665 10.011 1.581 311 HE1 TYR 43 1HE TYR 43 4.869 9.052 4.033 312 HE2 TYR 43 2HE TYR 43 1.251 7.676 2.173 313 HH TYR 43 HH TYR 43 2.611 6.397 3.472 314 H GLY 44 H GLY 44 0.818 14.163 4.781 315 HA2 GLY 44 2HA GLY 44 -0.433 16.085 4.968 316 HA3 GLY 44 1HA GLY 44 0.850 16.885 4.062 317 H LEU 45 H LEU 45 -0.731 14.132 2.678 318 HA LEU 45 HA LEU 45 -1.555 15.628 0.391 319 HB2 LEU 45 2HB LEU 45 -2.247 13.566 -0.501 320 HB3 LEU 45 1HB LEU 45 -0.858 13.160 0.488 321 HG LEU 45 HG LEU 45 -3.767 12.866 1.320 322 HD11 LEU 45 1HD1 LEU 45 -1.721 10.706 0.949 323 HD12 LEU 45 2HD1 LEU 45 -2.803 11.217 -0.346 324 HD13 LEU 45 3HD1 LEU 45 -3.466 10.550 1.144 325 HD21 LEU 45 3HD2 LEU 45 -1.145 12.413 2.748 326 HD22 LEU 45 1HD2 LEU 45 -2.642 11.674 3.277 327 HD23 LEU 45 2HD2 LEU 45 -2.480 13.407 3.286 328 H ASP 46 H ASP 46 -3.520 16.391 -0.180 329 HA ASP 46 HA ASP 46 -5.464 16.950 1.786 330 HB2 ASP 46 2HB ASP 46 -5.617 16.984 -1.233 331 HB3 ASP 46 1HB ASP 46 -6.907 17.571 -0.186 332 H SER 47 H SER 47 -7.872 16.331 1.377 333 HA SER 47 HA SER 47 -8.094 13.517 1.780 334 HB2 SER 47 2HB SER 47 -10.533 13.986 1.859 335 HB3 SER 47 1HB SER 47 -9.603 15.051 2.910 336 HG SER 47 HG SER 47 -10.311 16.660 1.776 337 H VAL 48 H VAL 48 -8.614 15.668 -0.939 338 HA VAL 48 HA VAL 48 -9.993 13.780 -2.581 339 HB VAL 48 HB VAL 48 -9.417 15.368 -4.427 340 HG11 VAL 48 1HG1 VAL 48 -10.735 17.242 -3.503 341 HG12 VAL 48 2HG1 VAL 48 -10.482 16.616 -1.874 342 HG13 VAL 48 3HG1 VAL 48 -11.431 15.691 -3.037 343 HG21 VAL 48 3HG2 VAL 48 -8.026 16.860 -2.178 344 HG22 VAL 48 1HG2 VAL 48 -8.258 17.455 -3.822 345 HG23 VAL 48 2HG2 VAL 48 -7.214 16.064 -3.526 346 H TYR 49 H TYR 49 -6.672 14.364 -1.814 347 HA TYR 49 HA TYR 49 -5.473 13.217 -4.102 348 HB2 TYR 49 2HB TYR 49 -4.545 14.443 -1.809 349 HB3 TYR 49 1HB TYR 49 -4.075 12.768 -1.529 350 HD1 TYR 49 1HD TYR 49 -4.186 15.169 -4.424 351 HD2 TYR 49 2HD TYR 49 -1.937 12.196 -2.294 352 HE1 TYR 49 1HE TYR 49 -2.309 15.442 -6.017 353 HE2 TYR 49 2HE TYR 49 -0.068 12.468 -3.869 354 HH TYR 49 HH TYR 49 0.411 14.961 -5.746 355 H ALA 50 H ALA 50 -6.299 11.796 -0.941 356 HA ALA 50 HA ALA 50 -5.372 9.227 -1.298 357 HB1 ALA 50 1HB ALA 50 -6.392 10.029 0.795 358 HB2 ALA 50 2HB ALA 50 -7.128 8.516 0.268 359 HB3 ALA 50 3HB ALA 50 -7.975 10.044 0.018 360 H LEU 51 H LEU 51 -8.374 10.660 -2.506 361 HA LEU 51 HA LEU 51 -9.558 8.314 -3.500 362 HB2 LEU 51 2HB LEU 51 -10.814 10.380 -3.304 363 HB3 LEU 51 1HB LEU 51 -9.757 11.177 -4.464 364 HG LEU 51 HG LEU 51 -10.933 8.642 -5.470 365 HD11 LEU 51 1HD1 LEU 51 -12.903 9.269 -4.318 366 HD12 LEU 51 2HD1 LEU 51 -13.129 9.885 -5.954 367 HD13 LEU 51 3HD1 LEU 51 -12.657 10.982 -4.655 368 HD21 LEU 51 3HD2 LEU 51 -11.070 9.879 -7.491 369 HD22 LEU 51 1HD2 LEU 51 -9.601 10.479 -6.720 370 HD23 LEU 51 2HD2 LEU 51 -11.084 11.424 -6.642 371 H SER 52 H SER 52 -7.473 10.708 -5.130 372 HA SER 52 HA SER 52 -7.393 9.317 -7.615 373 HB2 SER 52 2HB SER 52 -6.873 11.731 -7.368 374 HB3 SER 52 1HB SER 52 -5.405 11.302 -6.474 375 HG SER 52 HG SER 52 -4.522 11.120 -8.369 376 H ILE 53 H ILE 53 -5.117 9.509 -4.884 377 HA ILE 53 HA ILE 53 -3.166 7.799 -5.988 378 HB ILE 53 HB ILE 53 -3.819 8.205 -3.053 379 HG12 ILE 53 2HG1 ILE 53 -3.411 10.302 -4.620 380 HG13 ILE 53 1HG1 ILE 53 -2.557 10.171 -3.088 381 HG21 ILE 53 1HG2 ILE 53 -1.255 7.860 -2.948 382 HG22 ILE 53 2HG2 ILE 53 -1.407 7.197 -4.573 383 HG23 ILE 53 3HG2 ILE 53 -2.252 6.433 -3.228 384 HD11 ILE 53 3HD1 ILE 53 -1.337 9.049 -5.601 385 HD12 ILE 53 1HD1 ILE 53 -0.539 9.538 -4.115 386 HD13 ILE 53 2HD1 ILE 53 -1.178 10.753 -5.216 387 H ALA 54 H ALA 54 -5.634 7.078 -3.512 388 HA ALA 54 HA ALA 54 -5.212 4.362 -3.263 389 HB1 ALA 54 1HB ALA 54 -7.933 5.698 -3.307 390 HB2 ALA 54 2HB ALA 54 -6.835 5.734 -1.927 391 HB3 ALA 54 3HB ALA 54 -7.502 4.201 -2.483 392 H ALA 55 H ALA 55 -7.039 6.094 -5.755 393 HA ALA 55 HA ALA 55 -8.123 3.801 -7.033 394 HB1 ALA 55 1HB ALA 55 -7.508 6.546 -8.128 395 HB2 ALA 55 2HB ALA 55 -9.040 6.010 -7.439 396 HB3 ALA 55 3HB ALA 55 -8.466 5.320 -8.956 397 H GLU 56 H GLU 56 -5.120 5.587 -7.421 398 HA GLU 56 HA GLU 56 -4.253 4.128 -9.744 399 HB2 GLU 56 2HB GLU 56 -2.820 5.929 -7.794 400 HB3 GLU 56 1HB GLU 56 -2.004 5.160 -9.156 401 HG2 GLU 56 2HG GLU 56 -3.582 6.224 -10.713 402 HG3 GLU 56 1HG GLU 56 -4.430 6.967 -9.361 403 H LEU 57 H LEU 57 -3.395 4.007 -6.290 404 HA LEU 57 HA LEU 57 -1.490 1.931 -6.493 405 HB2 LEU 57 2HB LEU 57 -3.218 3.039 -4.278 406 HB3 LEU 57 1HB LEU 57 -2.320 1.548 -3.992 407 HG LEU 57 HG LEU 57 -0.229 2.669 -4.599 408 HD11 LEU 57 1HD1 LEU 57 -0.272 5.151 -4.942 409 HD12 LEU 57 2HD1 LEU 57 -2.004 5.031 -5.069 410 HD13 LEU 57 3HD1 LEU 57 -0.997 4.233 -6.257 411 HD21 LEU 57 3HD2 LEU 57 -0.828 2.784 -2.269 412 HD22 LEU 57 1HD2 LEU 57 -1.921 4.134 -2.577 413 HD23 LEU 57 2HD2 LEU 57 -0.180 4.356 -2.738 414 H GLU 58 H GLU 58 -4.969 1.804 -5.791 415 HA GLU 58 HA GLU 58 -5.056 -1.033 -5.530 416 HB2 GLU 58 2HB GLU 58 -7.447 -0.786 -5.555 417 HB3 GLU 58 1HB GLU 58 -6.754 0.454 -4.569 418 HG2 GLU 58 2HG GLU 58 -8.055 1.867 -5.833 419 HG3 GLU 58 1HG GLU 58 -6.749 1.723 -6.982 420 H ASP 59 H ASP 59 -5.560 1.191 -8.220 421 HA ASP 59 HA ASP 59 -6.615 -0.642 -10.081 422 HB2 ASP 59 2HB ASP 59 -5.108 1.949 -10.284 423 HB3 ASP 59 1HB ASP 59 -5.397 1.014 -11.745 424 H HIS 60 H HIS 60 -3.373 -0.085 -8.952 425 HA HIS 60 HA HIS 60 -2.050 -1.478 -11.079 426 HB2 HIS 60 2HB HIS 60 -1.272 -0.579 -8.319 427 HB3 HIS 60 1HB HIS 60 -0.210 -1.673 -9.203 428 HD1 HIS 60 1HD HIS 60 -2.265 1.311 -10.415 429 HD2 HIS 60 2HD HIS 60 1.689 -0.002 -10.302 430 HE1 HIS 60 1HE HIS 60 -0.902 3.032 -11.677 431 HE2 HIS 60 2HE HIS 60 1.512 2.246 -11.617 432 H LEU 61 H LEU 61 -3.412 -2.455 -7.976 433 HA LEU 61 HA LEU 61 -2.615 -5.243 -8.480 434 HB2 LEU 61 2HB LEU 61 -3.722 -3.941 -5.967 435 HB3 LEU 61 1HB LEU 61 -3.145 -5.600 -6.104 436 HG LEU 61 HG LEU 61 -1.319 -4.452 -5.161 437 HD11 LEU 61 1HD1 LEU 61 0.399 -4.618 -6.791 438 HD12 LEU 61 2HD1 LEU 61 -0.673 -4.166 -8.094 439 HD13 LEU 61 3HD1 LEU 61 -0.829 -5.756 -7.318 440 HD21 LEU 61 3HD2 LEU 61 -0.537 -2.275 -6.006 441 HD22 LEU 61 1HD2 LEU 61 -2.211 -2.194 -5.480 442 HD23 LEU 61 2HD2 LEU 61 -1.804 -2.267 -7.168 443 H ASP 62 H ASP 62 -4.856 -3.678 -9.759 444 HA ASP 62 HA ASP 62 -7.084 -3.975 -10.218 445 HB2 ASP 62 2HB ASP 62 -5.972 -6.775 -10.081 446 HB3 ASP 62 1HB ASP 62 -7.585 -6.407 -10.672 447 H VAL 63 H VAL 63 -7.371 -3.173 -7.858 448 HA VAL 63 HA VAL 63 -9.302 -4.974 -6.608 449 HB VAL 63 HB VAL 63 -8.165 -4.376 -4.324 450 HG11 VAL 63 1HG1 VAL 63 -8.326 -6.647 -5.308 451 HG12 VAL 63 2HG1 VAL 63 -6.807 -6.396 -4.453 452 HG13 VAL 63 3HG1 VAL 63 -6.848 -6.341 -6.213 453 HG21 VAL 63 3HG2 VAL 63 -5.926 -3.948 -6.322 454 HG22 VAL 63 1HG2 VAL 63 -5.646 -4.262 -4.615 455 HG23 VAL 63 2HG2 VAL 63 -6.510 -2.811 -5.112 456 H SER 64 H SER 64 -10.636 -3.894 -5.011 457 HA SER 64 HA SER 64 -10.643 -0.936 -5.317 458 HB2 SER 64 2HB SER 64 -12.551 -1.845 -6.471 459 HB3 SER 64 1HB SER 64 -12.961 -2.864 -5.096 460 HG SER 64 HG SER 64 -13.807 -1.191 -4.117 461 H LEU 65 H LEU 65 -10.889 0.273 -3.506 462 HA LEU 65 HA LEU 65 -10.863 -1.190 -0.920 463 HB2 LEU 65 2HB LEU 65 -9.983 1.654 -1.015 464 HB3 LEU 65 1HB LEU 65 -9.321 0.297 -0.115 465 HG LEU 65 HG LEU 65 -8.546 -0.614 -2.411 466 HD11 LEU 65 1HD1 LEU 65 -8.243 2.007 -3.578 467 HD12 LEU 65 2HD1 LEU 65 -9.950 1.737 -3.268 468 HD13 LEU 65 3HD1 LEU 65 -9.051 0.586 -4.239 469 HD21 LEU 65 3HD2 LEU 65 -7.071 0.418 -0.656 470 HD22 LEU 65 1HD2 LEU 65 -7.329 1.982 -1.427 471 HD23 LEU 65 2HD2 LEU 65 -6.495 0.698 -2.300 472 H ASP 66 H ASP 66 -11.861 -0.059 0.902 473 HA ASP 66 HA ASP 66 -14.355 1.155 0.040 474 HB2 ASP 66 2HB ASP 66 -13.581 -0.637 2.169 475 HB3 ASP 66 1HB ASP 66 -14.394 0.770 2.851 476 HA PRO 67 HA PRO 67 -13.508 5.239 1.381 477 HB2 PRO 67 2HB PRO 67 -15.976 5.178 3.082 478 HB3 PRO 67 1HB PRO 67 -15.547 6.271 1.764 479 HG2 PRO 67 2HG PRO 67 -17.375 4.355 1.456 480 HG3 PRO 67 1HG PRO 67 -16.267 4.799 0.143 481 HD2 PRO 67 2HD PRO 67 -16.186 2.408 1.951 482 HD3 PRO 67 1HD PRO 67 -15.798 2.559 0.223 483 H THR 68 H THR 68 -15.244 4.144 4.281 484 HA THR 68 HA THR 68 -13.408 5.293 6.082 485 HB THR 68 HB THR 68 -15.693 4.858 6.761 486 HG1 THR 68 1HG THR 68 -13.775 3.256 8.091 487 HG21 THR 68 3HG2 THR 68 -16.025 2.845 5.344 488 HG22 THR 68 1HG2 THR 68 -16.544 2.580 7.008 489 HG23 THR 68 2HG2 THR 68 -15.006 1.924 6.450 490 H LEU 69 H LEU 69 -13.312 2.392 4.287 491 HA LEU 69 HA LEU 69 -11.751 0.865 6.059 492 HB2 LEU 69 2HB LEU 69 -12.953 -0.195 4.220 493 HB3 LEU 69 1HB LEU 69 -11.991 0.718 3.045 494 HG LEU 69 HG LEU 69 -11.277 -1.721 3.506 495 HD11 LEU 69 1HD1 LEU 69 -8.881 -0.154 4.158 496 HD12 LEU 69 2HD1 LEU 69 -9.824 0.538 2.825 497 HD13 LEU 69 3HD1 LEU 69 -9.248 -1.107 2.739 498 HD21 LEU 69 3HD2 LEU 69 -11.597 -1.287 6.046 499 HD22 LEU 69 1HD2 LEU 69 -9.975 -0.601 5.956 500 HD23 LEU 69 2HD2 LEU 69 -10.255 -2.269 5.516 501 H ILE 70 H ILE 70 -10.951 3.023 3.384 502 HA ILE 70 HA ILE 70 -8.160 2.606 3.384 503 HB ILE 70 HB ILE 70 -9.849 4.983 2.577 504 HG12 ILE 70 2HG1 ILE 70 -8.297 3.069 0.834 505 HG13 ILE 70 1HG1 ILE 70 -9.932 2.709 1.343 506 HG21 ILE 70 1HG2 ILE 70 -7.700 5.604 1.295 507 HG22 ILE 70 2HG2 ILE 70 -6.868 4.513 2.403 508 HG23 ILE 70 3HG2 ILE 70 -7.716 5.926 3.028 509 HD11 ILE 70 3HD1 ILE 70 -9.599 3.943 -0.920 510 HD12 ILE 70 1HD1 ILE 70 -9.261 5.361 0.069 511 HD13 ILE 70 2HD1 ILE 70 -10.829 4.556 0.184 512 H TRP 71 H TRP 71 -10.204 4.938 5.120 513 HA TRP 71 HA TRP 71 -8.014 6.242 6.425 514 HB2 TRP 71 2HB TRP 71 -10.997 6.215 6.870 515 HB3 TRP 71 1HB TRP 71 -9.906 7.092 7.945 516 HD1 TRP 71 HD TRP 71 -11.727 7.428 4.749 517 HE1 TRP 71 1HE TRP 71 -10.974 9.554 3.501 518 HE3 TRP 71 3HE TRP 71 -7.561 8.616 7.457 519 HZ2 TRP 71 2HZ TRP 71 -8.877 11.503 3.632 520 HZ3 TRP 71 3HZ TRP 71 -6.209 10.610 6.875 521 HH2 TRP 71 HH TRP 71 -6.864 12.053 4.967 522 H ASP 72 H ASP 72 -9.290 3.194 6.781 523 HA ASP 72 HA ASP 72 -8.877 3.025 9.682 524 HB2 ASP 72 2HB ASP 72 -10.779 1.852 8.486 525 HB3 ASP 72 1HB ASP 72 -9.561 0.781 7.793 526 H HIS 73 H HIS 73 -7.367 2.127 6.650 527 HA HIS 73 HA HIS 73 -5.067 0.990 8.161 528 HB2 HIS 73 2HB HIS 73 -5.703 0.401 5.279 529 HB3 HIS 73 1HB HIS 73 -4.631 -0.475 6.379 530 HD1 HIS 73 1HD HIS 73 -7.045 -0.082 8.675 531 HD2 HIS 73 2HD HIS 73 -7.177 -2.117 5.047 532 HE1 HIS 73 1HE HIS 73 -8.934 -1.763 8.850 533 HE2 HIS 73 2HE HIS 73 -9.008 -3.021 6.663 534 HA PRO 74 HA PRO 74 -3.844 4.865 5.764 535 HB2 PRO 74 2HB PRO 74 -3.030 6.352 7.930 536 HB3 PRO 74 1HB PRO 74 -4.690 6.362 7.309 537 HG2 PRO 74 2HG PRO 74 -3.551 4.872 9.630 538 HG3 PRO 74 1HG PRO 74 -5.097 5.736 9.491 539 HD2 PRO 74 2HD PRO 74 -4.927 3.021 9.267 540 HD3 PRO 74 1HD PRO 74 -6.127 3.999 8.383 541 H THR 75 H THR 75 -2.513 2.496 7.708 542 HA THR 75 HA THR 75 0.267 3.464 7.287 543 HB THR 75 HB THR 75 0.768 1.632 9.037 544 HG1 THR 75 1HG THR 75 -1.944 1.531 8.827 545 HG21 THR 75 3HG2 THR 75 -0.714 4.200 9.602 546 HG22 THR 75 1HG2 THR 75 1.017 3.888 9.697 547 HG23 THR 75 2HG2 THR 75 -0.066 3.197 10.901 548 H ILE 76 H ILE 76 1.840 1.948 6.607 549 HA ILE 76 HA ILE 76 0.973 0.259 4.495 550 HB ILE 76 HB ILE 76 3.675 0.250 5.872 551 HG12 ILE 76 2HG1 ILE 76 3.173 2.535 5.243 552 HG13 ILE 76 1HG1 ILE 76 4.285 1.885 4.038 553 HG21 ILE 76 1HG2 ILE 76 3.685 -1.574 4.400 554 HG22 ILE 76 2HG2 ILE 76 4.286 -0.284 3.359 555 HG23 ILE 76 3HG2 ILE 76 2.604 -0.788 3.256 556 HD11 ILE 76 3HD1 ILE 76 1.352 2.451 3.777 557 HD12 ILE 76 1HD1 ILE 76 2.096 1.233 2.753 558 HD13 ILE 76 2HD1 ILE 76 2.672 2.885 2.690 559 H ASP 77 H ASP 77 2.103 -0.392 7.775 560 HA ASP 77 HA ASP 77 2.281 -3.157 7.690 561 HB2 ASP 77 2HB ASP 77 1.528 -1.192 9.833 562 HB3 ASP 77 1HB ASP 77 1.402 -2.907 10.173 563 H ALA 78 H ALA 78 -0.617 -1.169 8.335 564 HA ALA 78 HA ALA 78 -2.370 -3.399 8.599 565 HB1 ALA 78 1HB ALA 78 -2.908 -0.480 8.003 566 HB2 ALA 78 2HB ALA 78 -2.968 -1.267 9.581 567 HB3 ALA 78 3HB ALA 78 -4.160 -1.674 8.347 568 H LEU 79 H LEU 79 -1.652 -1.150 5.937 569 HA LEU 79 HA LEU 79 -3.485 -2.156 4.101 570 HB2 LEU 79 2HB LEU 79 -1.509 -0.197 4.078 571 HB3 LEU 79 1HB LEU 79 -0.889 -1.356 2.932 572 HG LEU 79 HG LEU 79 -2.275 0.207 1.717 573 HD11 LEU 79 1HD1 LEU 79 -3.388 -1.371 0.479 574 HD12 LEU 79 2HD1 LEU 79 -4.193 -2.075 1.886 575 HD13 LEU 79 3HD1 LEU 79 -2.541 -2.491 1.517 576 HD21 LEU 79 3HD2 LEU 79 -4.252 1.044 2.536 577 HD22 LEU 79 1HD2 LEU 79 -3.729 0.393 4.079 578 HD23 LEU 79 2HD2 LEU 79 -4.821 -0.535 3.064 579 H SER 80 H SER 80 -0.117 -3.111 4.656 580 HA SER 80 HA SER 80 0.032 -5.074 2.641 581 HB2 SER 80 2HB SER 80 1.928 -5.975 3.957 582 HB3 SER 80 1HB SER 80 2.027 -4.228 3.762 583 HG SER 80 HG SER 80 0.832 -4.223 5.868 584 H THR 81 H THR 81 -0.866 -5.304 6.073 585 HA THR 81 HA THR 81 -1.222 -8.074 6.229 586 HB THR 81 HB THR 81 -2.768 -5.889 7.643 587 HG1 THR 81 1HG THR 81 -0.240 -6.772 7.791 588 HG21 THR 81 3HG2 THR 81 -3.079 -7.710 9.367 589 HG22 THR 81 1HG2 THR 81 -2.464 -8.853 8.175 590 HG23 THR 81 2HG2 THR 81 -3.961 -7.974 7.862 591 H ALA 82 H ALA 82 -3.479 -5.526 5.191 592 HA ALA 82 HA ALA 82 -5.698 -7.266 4.824 593 HB1 ALA 82 1HB ALA 82 -6.736 -5.391 3.707 594 HB2 ALA 82 2HB ALA 82 -5.173 -4.614 3.458 595 HB3 ALA 82 3HB ALA 82 -5.830 -4.768 5.087 596 H LEU 83 H LEU 83 -3.168 -6.015 2.629 597 HA LEU 83 HA LEU 83 -4.280 -6.994 0.256 598 HB2 LEU 83 2HB LEU 83 -2.163 -5.421 0.824 599 HB3 LEU 83 1HB LEU 83 -1.284 -6.927 0.545 600 HG LEU 83 HG LEU 83 -3.244 -5.628 -1.373 601 HD11 LEU 83 1HD1 LEU 83 -1.196 -4.427 -1.443 602 HD12 LEU 83 2HD1 LEU 83 -1.103 -5.569 -2.783 603 HD13 LEU 83 3HD1 LEU 83 -0.249 -5.897 -1.282 604 HD21 LEU 83 3HD2 LEU 83 -1.769 -8.258 -1.381 605 HD22 LEU 83 1HD2 LEU 83 -2.252 -7.485 -2.888 606 HD23 LEU 83 2HD2 LEU 83 -3.478 -7.957 -1.711 607 H VAL 84 H VAL 84 -1.798 -8.416 2.384 608 HA VAL 84 HA VAL 84 -1.471 -10.815 0.934 609 HB VAL 84 HB VAL 84 0.091 -10.013 2.687 610 HG11 VAL 84 1HG1 VAL 84 -2.087 -10.942 4.591 611 HG12 VAL 84 2HG1 VAL 84 -1.637 -9.276 4.276 612 HG13 VAL 84 3HG1 VAL 84 -0.498 -10.351 5.041 613 HG21 VAL 84 3HG2 VAL 84 -1.126 -12.759 3.141 614 HG22 VAL 84 1HG2 VAL 84 0.454 -12.249 3.721 615 HG23 VAL 84 2HG2 VAL 84 0.149 -12.365 1.988 616 H ALA 85 H ALA 85 -3.856 -9.775 3.286 617 HA ALA 85 HA ALA 85 -4.940 -12.276 3.965 618 HB1 ALA 85 1HB ALA 85 -5.399 -10.002 5.039 619 HB2 ALA 85 2HB ALA 85 -6.778 -11.082 4.840 620 HB3 ALA 85 3HB ALA 85 -6.540 -9.743 3.719 621 H GLU 86 H GLU 86 -5.505 -10.084 1.259 622 HA GLU 86 HA GLU 86 -7.813 -11.230 0.167 623 HB2 GLU 86 2HB GLU 86 -5.424 -10.068 -1.300 624 HB3 GLU 86 1HB GLU 86 -7.027 -10.318 -1.988 625 HG2 GLU 86 2HG GLU 86 -6.471 -8.596 0.428 626 HG3 GLU 86 1HG GLU 86 -6.646 -7.971 -1.202 627 H LEU 87 H LEU 87 -4.624 -12.508 0.409 628 HA LEU 87 HA LEU 87 -5.305 -14.701 -1.468 629 HB2 LEU 87 2HB LEU 87 -2.617 -13.581 -0.662 630 HB3 LEU 87 1HB LEU 87 -2.835 -15.049 -1.608 631 HG LEU 87 HG LEU 87 -4.180 -12.495 -2.490 632 HD11 LEU 87 1HD1 LEU 87 -1.913 -11.774 -2.224 633 HD12 LEU 87 2HD1 LEU 87 -2.129 -12.127 -3.938 634 HD13 LEU 87 3HD1 LEU 87 -1.287 -13.277 -2.899 635 HD21 LEU 87 3HD2 LEU 87 -3.739 -13.592 -4.732 636 HD22 LEU 87 1HD2 LEU 87 -4.810 -14.507 -3.679 637 HD23 LEU 87 2HD2 LEU 87 -3.128 -14.994 -3.859 638 H ARG 88 H ARG 88 -4.577 -13.844 1.774 639 HA ARG 88 HA ARG 88 -3.583 -16.365 2.635 640 HB2 ARG 88 2HB ARG 88 -3.491 -14.005 3.787 641 HB3 ARG 88 1HB ARG 88 -5.040 -14.484 4.472 642 HG2 ARG 88 2HG ARG 88 -3.383 -15.172 6.032 643 HG3 ARG 88 1HG ARG 88 -3.932 -16.635 5.213 644 HD2 ARG 88 2HD ARG 88 -1.916 -16.945 4.145 645 HD3 ARG 88 1HD ARG 88 -1.620 -15.227 3.949 646 HE ARG 88 HE ARG 88 -0.466 -15.243 5.941 647 HH11 ARG 88 1HH2 ARG 88 -2.450 -18.061 5.647 648 HH12 ARG 88 2HH2 ARG 88 -1.807 -18.831 7.058 649 HH21 ARG 88 1HH1 ARG 88 0.384 -16.244 7.792 650 HH22 ARG 88 2HH1 ARG 88 -0.202 -17.802 8.273 651 H SER 89 H SER 89 -4.689 -17.857 4.066 652 HA SER 89 HA SER 89 -7.629 -17.866 3.869 653 HB2 SER 89 2HB SER 89 -6.011 -20.322 3.196 654 HB3 SER 89 1HB SER 89 -7.738 -20.059 2.976 655 HG SER 89 HG SER 89 -5.671 -19.436 1.347 656 H ALA 90 H ALA 90 -4.663 -18.992 5.349 657 HA ALA 90 HA ALA 90 -6.106 -20.420 7.458 658 HB1 ALA 90 1HB ALA 90 -4.137 -21.539 6.770 659 HB2 ALA 90 2HB ALA 90 -3.718 -20.785 8.309 660 HB3 ALA 90 3HB ALA 90 -3.186 -20.053 6.795 Start of MODEL 30 1 H1 GLY 1 1HT GLY 1 16.589 -18.897 -13.433 2 H2 GLY 1 2HT GLY 1 15.777 -18.639 -11.965 3 H3 GLY 1 3HT GLY 1 15.919 -17.377 -13.093 4 HA2 GLY 1 2HA GLY 1 13.859 -17.973 -13.699 5 HA3 GLY 1 1HA GLY 1 14.714 -19.232 -14.591 6 H HIS 2 H HIS 2 13.300 -18.514 -11.407 7 HA HIS 2 HA HIS 2 12.261 -21.261 -11.276 8 HB2 HIS 2 2HB HIS 2 13.078 -21.546 -8.972 9 HB3 HIS 2 1HB HIS 2 14.416 -21.372 -10.107 10 HD1 HIS 2 1HD HIS 2 12.369 -19.229 -7.709 11 HD2 HIS 2 2HD HIS 2 16.143 -19.294 -9.477 12 HE1 HIS 2 1HE HIS 2 13.671 -17.315 -6.685 13 HE2 HIS 2 2HE HIS 2 15.977 -17.342 -7.753 14 H MET 3 H MET 3 11.378 -18.306 -11.471 15 HA MET 3 HA MET 3 9.014 -18.622 -9.883 16 HB2 MET 3 2HB MET 3 10.823 -17.810 -8.240 17 HB3 MET 3 1HB MET 3 10.752 -16.276 -9.094 18 HG2 MET 3 2HG MET 3 8.233 -16.296 -8.698 19 HG3 MET 3 1HG MET 3 8.491 -17.683 -7.649 20 HE1 MET 3 3HE MET 3 10.257 -17.773 -5.916 21 HE2 MET 3 1HE MET 3 8.775 -17.319 -5.065 22 HE3 MET 3 2HE MET 3 10.302 -16.541 -4.657 23 H SER 4 H SER 4 9.445 -15.404 -9.857 24 HA SER 4 HA SER 4 8.528 -13.704 -11.080 25 HB2 SER 4 2HB SER 4 9.235 -13.815 -13.569 26 HB3 SER 4 1HB SER 4 10.505 -13.736 -12.353 27 HG SER 4 HG SER 4 10.585 -15.432 -14.101 28 H ASP 5 H ASP 5 6.351 -14.362 -10.671 29 HA ASP 5 HA ASP 5 4.797 -14.701 -13.016 30 HB2 ASP 5 2HB ASP 5 5.556 -17.022 -12.876 31 HB3 ASP 5 1HB ASP 5 4.988 -17.120 -11.212 32 H LEU 6 H LEU 6 4.973 -15.108 -9.508 33 HA LEU 6 HA LEU 6 2.537 -15.085 -8.504 34 HB2 LEU 6 2HB LEU 6 3.221 -13.609 -6.742 35 HB3 LEU 6 1HB LEU 6 4.659 -14.477 -7.271 36 HG LEU 6 HG LEU 6 4.894 -12.390 -8.948 37 HD11 LEU 6 1HD1 LEU 6 3.957 -10.665 -6.759 38 HD12 LEU 6 2HD1 LEU 6 2.623 -11.563 -7.450 39 HD13 LEU 6 3HD1 LEU 6 3.635 -10.566 -8.479 40 HD21 LEU 6 3HD2 LEU 6 6.566 -13.039 -7.286 41 HD22 LEU 6 1HD2 LEU 6 5.598 -12.314 -6.003 42 HD23 LEU 6 2HD2 LEU 6 6.322 -11.291 -7.244 43 H SER 7 H SER 7 0.633 -14.054 -8.700 44 HA SER 7 HA SER 7 0.523 -11.306 -9.695 45 HB2 SER 7 2HB SER 7 0.436 -13.006 -11.625 46 HB3 SER 7 1HB SER 7 -1.175 -13.383 -11.057 47 HG SER 7 HG SER 7 -1.233 -11.715 -12.598 48 H THR 8 H THR 8 -1.925 -13.887 -9.497 49 HA THR 8 HA THR 8 -3.619 -12.178 -7.889 50 HB THR 8 HB THR 8 -5.114 -14.246 -7.979 51 HG1 THR 8 1HG THR 8 -3.342 -15.060 -10.003 52 HG21 THR 8 3HG2 THR 8 -5.731 -13.832 -10.321 53 HG22 THR 8 1HG2 THR 8 -4.177 -13.044 -10.594 54 HG23 THR 8 2HG2 THR 8 -5.355 -12.317 -9.503 55 H ALA 9 H ALA 9 -0.967 -13.594 -7.026 56 HA ALA 9 HA ALA 9 -1.874 -14.115 -4.309 57 HB1 ALA 9 1HB ALA 9 -0.734 -16.287 -6.053 58 HB2 ALA 9 2HB ALA 9 -2.228 -16.312 -5.112 59 HB3 ALA 9 3HB ALA 9 -0.669 -16.358 -4.290 60 HA PRO 10 HA PRO 10 2.387 -12.193 -5.132 61 HB2 PRO 10 2HB PRO 10 1.245 -10.290 -3.137 62 HB3 PRO 10 1HB PRO 10 2.180 -9.960 -4.603 63 HG2 PRO 10 2HG PRO 10 -0.450 -9.523 -4.512 64 HG3 PRO 10 1HG PRO 10 0.333 -10.146 -5.977 65 HD2 PRO 10 2HD PRO 10 -1.323 -11.622 -3.947 66 HD3 PRO 10 1HD PRO 10 -1.227 -11.815 -5.701 67 H THR 11 H THR 11 3.885 -11.386 -3.190 68 HA THR 11 HA THR 11 3.579 -13.345 -0.971 69 HB THR 11 HB THR 11 6.132 -12.199 -2.116 70 HG1 THR 11 1HG THR 11 5.958 -13.743 -3.504 71 HG21 THR 11 3HG2 THR 11 6.382 -12.769 0.210 72 HG22 THR 11 1HG2 THR 11 7.116 -14.064 -0.734 73 HG23 THR 11 2HG2 THR 11 5.520 -14.291 -0.020 74 H LEU 12 H LEU 12 4.345 -12.689 1.097 75 HA LEU 12 HA LEU 12 3.391 -10.246 1.974 76 HB2 LEU 12 2HB LEU 12 5.465 -12.135 3.109 77 HB3 LEU 12 1HB LEU 12 5.016 -10.662 3.963 78 HG LEU 12 HG LEU 12 2.622 -11.377 3.848 79 HD11 LEU 12 1HD1 LEU 12 2.388 -13.941 3.411 80 HD12 LEU 12 2HD1 LEU 12 3.926 -13.790 2.567 81 HD13 LEU 12 3HD1 LEU 12 2.526 -12.872 2.017 82 HD21 LEU 12 3HD2 LEU 12 4.666 -13.148 5.211 83 HD22 LEU 12 1HD2 LEU 12 2.935 -13.317 5.499 84 HD23 LEU 12 2HD2 LEU 12 3.753 -11.810 5.910 85 H ASP 13 H ASP 13 6.771 -11.099 1.232 86 HA ASP 13 HA ASP 13 7.808 -8.524 1.793 87 HB2 ASP 13 2HB ASP 13 9.049 -10.406 -0.193 88 HB3 ASP 13 1HB ASP 13 9.837 -9.307 0.923 89 H SER 14 H SER 14 6.574 -10.044 -1.177 90 HA SER 14 HA SER 14 7.413 -8.026 -2.961 91 HB2 SER 14 2HB SER 14 5.815 -8.996 -4.488 92 HB3 SER 14 1HB SER 14 6.741 -10.259 -3.685 93 HG SER 14 HG SER 14 4.286 -9.349 -2.639 94 H LEU 15 H LEU 15 4.456 -8.484 -1.061 95 HA LEU 15 HA LEU 15 3.122 -6.252 -2.181 96 HB2 LEU 15 2HB LEU 15 2.656 -7.680 0.447 97 HB3 LEU 15 1HB LEU 15 1.538 -6.545 -0.277 98 HG LEU 15 HG LEU 15 2.510 -9.016 -1.697 99 HD11 LEU 15 1HD1 LEU 15 1.304 -9.890 0.137 100 HD12 LEU 15 2HD1 LEU 15 0.106 -9.792 -1.155 101 HD13 LEU 15 3HD1 LEU 15 0.151 -8.559 0.112 102 HD21 LEU 15 3HD2 LEU 15 1.548 -7.990 -3.451 103 HD22 LEU 15 1HD2 LEU 15 0.854 -6.718 -2.457 104 HD23 LEU 15 2HD2 LEU 15 0.000 -8.234 -2.662 105 H ARG 16 H ARG 16 4.223 -6.717 1.155 106 HA ARG 16 HA ARG 16 4.120 -4.248 2.213 107 HB2 ARG 16 2HB ARG 16 5.108 -6.097 3.438 108 HB3 ARG 16 1HB ARG 16 6.493 -6.108 2.358 109 HG2 ARG 16 2HG ARG 16 5.938 -3.459 3.627 110 HG3 ARG 16 1HG ARG 16 6.411 -4.716 4.762 111 HD2 ARG 16 2HD ARG 16 8.386 -5.201 3.214 112 HD3 ARG 16 1HD ARG 16 7.963 -3.733 2.356 113 HE ARG 16 HE ARG 16 8.246 -3.353 5.192 114 HH11 ARG 16 1HH2 ARG 16 9.819 -3.559 2.117 115 HH12 ARG 16 2HH2 ARG 16 11.177 -2.595 2.593 116 HH21 ARG 16 1HH1 ARG 16 10.022 -2.090 5.823 117 HH22 ARG 16 2HH1 ARG 16 11.291 -1.763 4.692 118 H VAL 17 H VAL 17 6.914 -5.326 0.220 119 HA VAL 17 HA VAL 17 8.222 -2.854 0.127 120 HB VAL 17 HB VAL 17 9.410 -3.764 -1.806 121 HG11 VAL 17 1HG1 VAL 17 10.337 -4.727 0.103 122 HG12 VAL 17 2HG1 VAL 17 9.797 -6.204 -0.711 123 HG13 VAL 17 3HG1 VAL 17 8.838 -5.502 0.591 124 HG21 VAL 17 3HG2 VAL 17 7.702 -4.718 -3.141 125 HG22 VAL 17 1HG2 VAL 17 7.132 -5.642 -1.782 126 HG23 VAL 17 2HG2 VAL 17 8.620 -6.112 -2.556 127 H TRP 18 H TRP 18 5.632 -4.203 -1.873 128 HA TRP 18 HA TRP 18 5.678 -2.260 -3.917 129 HB2 TRP 18 2HB TRP 18 3.921 -3.502 -4.688 130 HB3 TRP 18 1HB TRP 18 4.114 -4.487 -3.254 131 HD1 TRP 18 HD TRP 18 2.126 -4.399 -1.530 132 HE1 TRP 18 1HE TRP 18 0.047 -3.070 -1.246 133 HE3 TRP 18 3HE TRP 18 2.861 -0.941 -5.208 134 HZ2 TRP 18 2HZ TRP 18 -1.217 -0.805 -2.412 135 HZ3 TRP 18 3HZ TRP 18 1.181 0.799 -5.576 136 HH2 TRP 18 HH TRP 18 -0.859 0.850 -4.150 137 H LEU 19 H LEU 19 3.806 -2.364 -0.884 138 HA LEU 19 HA LEU 19 2.387 0.017 -1.233 139 HB2 LEU 19 2HB LEU 19 3.203 -1.722 1.029 140 HB3 LEU 19 1HB LEU 19 2.907 -0.064 1.505 141 HG LEU 19 HG LEU 19 0.821 -1.231 -0.289 142 HD11 LEU 19 1HD1 LEU 19 1.019 -2.104 2.564 143 HD12 LEU 19 2HD1 LEU 19 1.351 -3.138 1.168 144 HD13 LEU 19 3HD1 LEU 19 -0.246 -2.469 1.413 145 HD21 LEU 19 3HD2 LEU 19 0.945 1.082 0.952 146 HD22 LEU 19 1HD2 LEU 19 0.378 0.139 2.329 147 HD23 LEU 19 2HD2 LEU 19 -0.573 0.210 0.852 148 H VAL 20 H VAL 20 5.376 -0.363 0.747 149 HA VAL 20 HA VAL 20 5.755 2.390 1.087 150 HB VAL 20 HB VAL 20 6.912 0.705 2.436 151 HG11 VAL 20 1HG1 VAL 20 7.207 -0.816 0.364 152 HG12 VAL 20 2HG1 VAL 20 8.488 -0.811 1.566 153 HG13 VAL 20 3HG1 VAL 20 8.683 0.097 0.069 154 HG21 VAL 20 3HG2 VAL 20 9.116 1.719 2.453 155 HG22 VAL 20 1HG2 VAL 20 7.938 2.976 2.081 156 HG23 VAL 20 2HG2 VAL 20 8.918 2.277 0.797 157 H ASP 21 H ASP 21 7.224 0.188 -1.304 158 HA ASP 21 HA ASP 21 8.816 2.056 -2.613 159 HB2 ASP 21 2HB ASP 21 8.926 -0.371 -3.047 160 HB3 ASP 21 1HB ASP 21 7.335 -0.309 -3.807 161 H CYS 22 H CYS 22 5.383 1.378 -2.942 162 HA CYS 22 HA CYS 22 4.888 2.822 -5.314 163 HB2 CYS 22 2HB CYS 22 3.261 1.297 -4.287 164 HB3 CYS 22 1HB CYS 22 3.036 2.418 -2.962 165 HG CYS 22 HG CYS 22 2.532 3.667 -5.700 166 H VAL 23 H VAL 23 4.701 3.817 -1.889 167 HA VAL 23 HA VAL 23 3.920 6.495 -2.407 168 HB VAL 23 HB VAL 23 5.577 5.506 -0.106 169 HG11 VAL 23 1HG1 VAL 23 5.122 8.049 -0.530 170 HG12 VAL 23 2HG1 VAL 23 4.814 7.398 1.067 171 HG13 VAL 23 3HG1 VAL 23 3.476 7.667 -0.044 172 HG21 VAL 23 3HG2 VAL 23 2.587 5.447 -0.549 173 HG22 VAL 23 1HG2 VAL 23 3.353 5.172 1.021 174 HG23 VAL 23 2HG2 VAL 23 3.647 4.064 -0.320 175 H ALA 24 H ALA 24 7.167 5.131 -1.715 176 HA ALA 24 HA ALA 24 8.715 7.381 -1.853 177 HB1 ALA 24 1HB ALA 24 9.388 4.708 -3.104 178 HB2 ALA 24 2HB ALA 24 9.566 5.101 -1.393 179 HB3 ALA 24 3HB ALA 24 10.539 5.946 -2.597 180 H GLY 25 H GLY 25 7.833 5.318 -4.627 181 HA2 GLY 25 2HA GLY 25 8.995 6.946 -6.609 182 HA3 GLY 25 1HA GLY 25 7.695 5.792 -6.881 183 H HIS 26 H HIS 26 5.676 6.876 -5.325 184 HA HIS 26 HA HIS 26 4.526 8.738 -7.049 185 HB2 HIS 26 2HB HIS 26 3.978 7.994 -4.178 186 HB3 HIS 26 1HB HIS 26 3.019 9.231 -4.983 187 HD1 HIS 26 1HD HIS 26 3.038 7.836 -7.824 188 HD2 HIS 26 2HD HIS 26 1.982 5.989 -4.240 189 HE1 HIS 26 1HE HIS 26 1.562 5.874 -8.439 190 HE2 HIS 26 2HE HIS 26 0.910 4.739 -6.267 191 H LEU 27 H LEU 27 5.988 9.365 -3.810 192 HA LEU 27 HA LEU 27 5.832 12.224 -4.259 193 HB2 LEU 27 2HB LEU 27 7.197 10.690 -2.038 194 HB3 LEU 27 1HB LEU 27 6.744 12.395 -2.031 195 HG LEU 27 HG LEU 27 4.812 10.068 -2.237 196 HD11 LEU 27 1HD1 LEU 27 4.092 10.880 0.035 197 HD12 LEU 27 2HD1 LEU 27 5.476 11.973 0.030 198 HD13 LEU 27 3HD1 LEU 27 5.733 10.230 0.013 199 HD21 LEU 27 3HD2 LEU 27 3.197 12.087 -1.696 200 HD22 LEU 27 1HD2 LEU 27 3.734 11.816 -3.352 201 HD23 LEU 27 2HD2 LEU 27 4.503 13.063 -2.368 202 H GLY 28 H GLY 28 8.286 9.707 -4.278 203 HA2 GLY 28 2HA GLY 28 10.199 9.810 -5.696 204 HA3 GLY 28 1HA GLY 28 10.146 11.565 -5.611 205 H LEU 29 H LEU 29 9.543 10.655 -2.546 206 HA LEU 29 HA LEU 29 12.133 11.359 -1.599 207 HB2 LEU 29 2HB LEU 29 9.921 10.049 -0.017 208 HB3 LEU 29 1HB LEU 29 11.223 11.064 0.593 209 HG LEU 29 HG LEU 29 9.022 11.960 -1.284 210 HD11 LEU 29 1HD1 LEU 29 8.214 11.607 1.000 211 HD12 LEU 29 2HD1 LEU 29 8.314 13.334 0.663 212 HD13 LEU 29 3HD1 LEU 29 9.554 12.554 1.643 213 HD21 LEU 29 3HD2 LEU 29 10.896 13.299 -1.814 214 HD22 LEU 29 1HD2 LEU 29 11.478 13.312 -0.149 215 HD23 LEU 29 2HD2 LEU 29 10.058 14.256 -0.600 216 H ASP 30 H ASP 30 12.857 9.782 0.387 217 HA ASP 30 HA ASP 30 13.808 7.384 -0.991 218 HB2 ASP 30 2HB ASP 30 14.472 8.668 1.649 219 HB3 ASP 30 1HB ASP 30 15.123 7.104 1.171 220 H ALA 31 H ALA 31 13.105 5.371 -0.646 221 HA ALA 31 HA ALA 31 10.703 4.821 0.642 222 HB1 ALA 31 1HB ALA 31 11.757 3.434 -1.133 223 HB2 ALA 31 2HB ALA 31 11.143 2.527 0.246 224 HB3 ALA 31 3HB ALA 31 12.873 2.830 0.091 225 H ALA 32 H ALA 32 14.023 4.636 1.818 226 HA ALA 32 HA ALA 32 13.467 3.162 4.155 227 HB1 ALA 32 1HB ALA 32 15.724 3.491 3.106 228 HB2 ALA 32 2HB ALA 32 15.682 3.783 4.845 229 HB3 ALA 32 3HB ALA 32 15.708 5.144 3.723 230 H THR 33 H THR 33 12.780 6.378 3.304 231 HA THR 33 HA THR 33 12.112 6.994 6.129 232 HB THR 33 HB THR 33 12.683 9.410 5.470 233 HG1 THR 33 1HG THR 33 13.706 9.715 3.663 234 HG21 THR 33 3HG2 THR 33 14.060 8.224 7.062 235 HG22 THR 33 1HG2 THR 33 15.150 8.984 5.904 236 HG23 THR 33 2HG2 THR 33 14.799 7.260 5.784 237 H ILE 34 H ILE 34 10.403 5.879 4.127 238 HA ILE 34 HA ILE 34 8.815 8.070 3.091 239 HB ILE 34 HB ILE 34 8.720 5.072 3.029 240 HG12 ILE 34 2HG1 ILE 34 9.673 6.590 1.239 241 HG13 ILE 34 1HG1 ILE 34 8.456 5.450 0.652 242 HG21 ILE 34 1HG2 ILE 34 6.270 6.830 2.809 243 HG22 ILE 34 2HG2 ILE 34 6.449 5.315 3.696 244 HG23 ILE 34 3HG2 ILE 34 6.376 5.294 1.968 245 HD11 ILE 34 3HD1 ILE 34 7.163 7.921 1.501 246 HD12 ILE 34 1HD1 ILE 34 7.229 7.184 -0.089 247 HD13 ILE 34 2HD1 ILE 34 8.492 8.285 0.431 248 H ALA 35 H ALA 35 7.734 5.372 5.131 249 HA ALA 35 HA ALA 35 6.975 6.671 7.410 250 HB1 ALA 35 1HB ALA 35 5.151 7.259 5.134 251 HB2 ALA 35 2HB ALA 35 5.523 8.238 6.549 252 HB3 ALA 35 3HB ALA 35 4.377 6.910 6.676 253 H THR 36 H THR 36 7.505 4.006 5.986 254 HA THR 36 HA THR 36 5.564 2.195 5.950 255 HB THR 36 HB THR 36 7.153 0.553 6.597 256 HG1 THR 36 1HG THR 36 8.404 2.619 8.104 257 HG21 THR 36 3HG2 THR 36 7.863 2.177 4.719 258 HG22 THR 36 1HG2 THR 36 9.121 1.176 5.440 259 HG23 THR 36 2HG2 THR 36 8.967 2.868 5.907 260 H ASP 37 H ASP 37 6.872 3.630 8.979 261 HA ASP 37 HA ASP 37 4.792 2.203 10.492 262 HB2 ASP 37 2HB ASP 37 7.182 2.032 11.208 263 HB3 ASP 37 1HB ASP 37 7.188 3.774 11.470 264 H LEU 38 H LEU 38 4.482 4.669 8.755 265 HA LEU 38 HA LEU 38 3.094 6.256 10.761 266 HB2 LEU 38 2HB LEU 38 5.138 7.238 8.813 267 HB3 LEU 38 1HB LEU 38 3.843 8.318 9.286 268 HG LEU 38 HG LEU 38 5.411 6.810 11.392 269 HD11 LEU 38 1HD1 LEU 38 7.006 8.673 11.503 270 HD12 LEU 38 2HD1 LEU 38 6.243 9.417 10.096 271 HD13 LEU 38 3HD1 LEU 38 7.083 7.874 9.931 272 HD21 LEU 38 3HD2 LEU 38 3.862 9.409 11.236 273 HD22 LEU 38 1HD2 LEU 38 4.905 9.014 12.599 274 HD23 LEU 38 2HD2 LEU 38 3.520 7.997 12.237 275 HA PRO 39 HA PRO 39 -0.221 6.098 7.881 276 HB2 PRO 39 2HB PRO 39 -1.539 8.444 8.475 277 HB3 PRO 39 1HB PRO 39 -1.579 7.007 9.516 278 HG2 PRO 39 2HG PRO 39 0.096 9.464 9.750 279 HG3 PRO 39 1HG PRO 39 -0.742 8.551 11.022 280 HD2 PRO 39 2HD PRO 39 1.910 8.295 10.581 281 HD3 PRO 39 1HD PRO 39 0.915 6.942 11.150 282 H LEU 40 H LEU 40 -1.379 7.568 6.210 283 HA LEU 40 HA LEU 40 0.590 8.548 4.396 284 HB2 LEU 40 2HB LEU 40 -1.408 9.136 2.987 285 HB3 LEU 40 1HB LEU 40 -1.315 7.445 3.468 286 HG LEU 40 HG LEU 40 -2.772 8.448 5.583 287 HD11 LEU 40 1HD1 LEU 40 -3.543 10.080 3.168 288 HD12 LEU 40 2HD1 LEU 40 -2.828 10.704 4.658 289 HD13 LEU 40 3HD1 LEU 40 -4.434 10.005 4.684 290 HD21 LEU 40 3HD2 LEU 40 -4.741 7.559 4.463 291 HD22 LEU 40 1HD2 LEU 40 -3.349 6.516 4.165 292 HD23 LEU 40 2HD2 LEU 40 -3.904 7.627 2.910 293 H THR 41 H THR 41 -1.400 9.959 6.834 294 HA THR 41 HA THR 41 -1.773 12.552 5.946 295 HB THR 41 HB THR 41 -1.705 13.195 8.357 296 HG1 THR 41 1HG THR 41 -0.001 11.453 8.661 297 HG21 THR 41 3HG2 THR 41 -3.630 11.926 8.967 298 HG22 THR 41 1HG2 THR 41 -3.125 10.554 7.981 299 HG23 THR 41 2HG2 THR 41 -3.677 12.039 7.208 300 H SER 42 H SER 42 1.155 11.077 7.348 301 HA SER 42 HA SER 42 2.714 13.229 7.854 302 HB2 SER 42 2HB SER 42 3.438 10.871 8.149 303 HB3 SER 42 1HB SER 42 3.563 10.708 6.394 304 HG SER 42 HG SER 42 5.399 11.729 6.455 305 H TYR 43 H TYR 43 1.731 12.026 4.694 306 HA TYR 43 HA TYR 43 3.592 13.624 3.199 307 HB2 TYR 43 2HB TYR 43 0.971 12.480 2.218 308 HB3 TYR 43 1HB TYR 43 2.423 12.813 1.282 309 HD1 TYR 43 1HD TYR 43 4.495 11.671 3.221 310 HD2 TYR 43 2HD TYR 43 0.728 10.134 1.822 311 HE1 TYR 43 1HE TYR 43 5.277 9.406 3.652 312 HE2 TYR 43 2HE TYR 43 1.539 7.833 2.257 313 HH TYR 43 HH TYR 43 3.556 6.909 4.070 314 H GLY 44 H GLY 44 0.904 14.411 4.967 315 HA2 GLY 44 2HA GLY 44 -0.283 16.368 5.197 316 HA3 GLY 44 1HA GLY 44 0.927 17.117 4.159 317 H LEU 45 H LEU 45 -0.389 14.404 2.657 318 HA LEU 45 HA LEU 45 -1.646 15.942 0.626 319 HB2 LEU 45 2HB LEU 45 -1.843 13.919 -0.481 320 HB3 LEU 45 1HB LEU 45 -0.663 13.425 0.729 321 HG LEU 45 HG LEU 45 -3.675 13.066 1.018 322 HD11 LEU 45 1HD1 LEU 45 -2.264 11.645 -0.698 323 HD12 LEU 45 2HD1 LEU 45 -3.508 10.934 0.329 324 HD13 LEU 45 3HD1 LEU 45 -1.807 10.783 0.772 325 HD21 LEU 45 3HD2 LEU 45 -3.287 12.365 3.152 326 HD22 LEU 45 1HD2 LEU 45 -1.781 13.236 3.058 327 HD23 LEU 45 2HD2 LEU 45 -1.797 11.533 2.727 328 H ASP 46 H ASP 46 -3.734 16.451 0.288 329 HA ASP 46 HA ASP 46 -5.558 16.416 2.500 330 HB2 ASP 46 2HB ASP 46 -6.085 17.102 -0.397 331 HB3 ASP 46 1HB ASP 46 -7.115 17.508 0.975 332 H SER 47 H SER 47 -7.839 15.610 2.231 333 HA SER 47 HA SER 47 -7.847 12.811 1.870 334 HB2 SER 47 2HB SER 47 -10.297 12.997 2.133 335 HB3 SER 47 1HB SER 47 -9.437 13.940 3.346 336 HG SER 47 HG SER 47 -11.110 14.747 1.345 337 H VAL 48 H VAL 48 -8.529 15.460 -0.296 338 HA VAL 48 HA VAL 48 -9.998 14.133 -2.274 339 HB VAL 48 HB VAL 48 -7.993 16.383 -2.563 340 HG11 VAL 48 1HG1 VAL 48 -8.336 15.481 -4.742 341 HG12 VAL 48 2HG1 VAL 48 -9.441 16.852 -4.629 342 HG13 VAL 48 3HG1 VAL 48 -10.052 15.207 -4.441 343 HG21 VAL 48 3HG2 VAL 48 -11.011 16.346 -2.231 344 HG22 VAL 48 1HG2 VAL 48 -10.046 17.789 -2.545 345 HG23 VAL 48 2HG2 VAL 48 -9.843 16.904 -1.033 346 H TYR 49 H TYR 49 -6.665 13.926 -1.415 347 HA TYR 49 HA TYR 49 -5.621 12.986 -3.880 348 HB2 TYR 49 2HB TYR 49 -4.717 12.776 -1.023 349 HB3 TYR 49 1HB TYR 49 -3.853 11.942 -2.294 350 HD1 TYR 49 2HD TYR 49 -5.405 15.322 -1.759 351 HD2 TYR 49 1HD TYR 49 -2.034 13.086 -3.193 352 HE1 TYR 49 2HE TYR 49 -4.266 17.433 -2.366 353 HE2 TYR 49 1HE TYR 49 -0.895 15.189 -3.799 354 HH TYR 49 HH TYR 49 -0.942 17.543 -3.233 355 H ALA 50 H ALA 50 -6.950 11.312 -1.037 356 HA ALA 50 HA ALA 50 -6.376 8.707 -1.587 357 HB1 ALA 50 1HB ALA 50 -7.737 9.610 0.356 358 HB2 ALA 50 2HB ALA 50 -8.335 8.102 -0.342 359 HB3 ALA 50 3HB ALA 50 -9.127 9.629 -0.731 360 H LEU 51 H LEU 51 -9.068 10.571 -2.953 361 HA LEU 51 HA LEU 51 -10.260 8.555 -4.448 362 HB2 LEU 51 2HB LEU 51 -11.266 10.755 -4.182 363 HB3 LEU 51 1HB LEU 51 -9.961 11.498 -5.100 364 HG LEU 51 HG LEU 51 -11.268 9.243 -6.545 365 HD11 LEU 51 1HD1 LEU 51 -13.226 10.165 -5.354 366 HD12 LEU 51 2HD1 LEU 51 -13.311 10.477 -7.088 367 HD13 LEU 51 3HD1 LEU 51 -12.846 11.768 -5.980 368 HD21 LEU 51 3HD2 LEU 51 -11.158 10.842 -8.391 369 HD22 LEU 51 1HD2 LEU 51 -9.626 10.863 -7.523 370 HD23 LEU 51 2HD2 LEU 51 -10.792 12.152 -7.269 371 H SER 52 H SER 52 -7.799 10.899 -5.581 372 HA SER 52 HA SER 52 -7.464 9.614 -8.095 373 HB2 SER 52 2HB SER 52 -6.898 12.050 -7.367 374 HB3 SER 52 1HB SER 52 -5.362 11.361 -6.815 375 HG SER 52 HG SER 52 -4.807 11.453 -8.845 376 H ILE 53 H ILE 53 -5.427 9.728 -5.185 377 HA ILE 53 HA ILE 53 -3.420 8.003 -6.118 378 HB ILE 53 HB ILE 53 -4.359 8.394 -3.261 379 HG12 ILE 53 2HG1 ILE 53 -3.820 10.537 -4.401 380 HG13 ILE 53 1HG1 ILE 53 -2.606 10.140 -3.177 381 HG21 ILE 53 1HG2 ILE 53 -2.873 6.480 -3.443 382 HG22 ILE 53 2HG2 ILE 53 -1.955 7.826 -2.765 383 HG23 ILE 53 3HG2 ILE 53 -1.764 7.400 -4.461 384 HD11 ILE 53 3HD1 ILE 53 -1.255 10.713 -4.980 385 HD12 ILE 53 1HD1 ILE 53 -2.400 10.110 -6.164 386 HD13 ILE 53 2HD1 ILE 53 -1.388 8.989 -5.267 387 H ALA 54 H ALA 54 -6.001 7.188 -3.793 388 HA ALA 54 HA ALA 54 -5.606 4.475 -3.676 389 HB1 ALA 54 1HB ALA 54 -7.844 4.278 -2.896 390 HB2 ALA 54 2HB ALA 54 -8.367 5.690 -3.803 391 HB3 ALA 54 3HB ALA 54 -7.311 5.882 -2.399 392 H ALA 55 H ALA 55 -7.342 6.320 -6.163 393 HA ALA 55 HA ALA 55 -8.383 4.084 -7.562 394 HB1 ALA 55 1HB ALA 55 -8.327 5.794 -9.529 395 HB2 ALA 55 2HB ALA 55 -7.774 6.935 -8.302 396 HB3 ALA 55 3HB ALA 55 -9.341 6.149 -8.131 397 H GLU 56 H GLU 56 -5.426 5.999 -8.083 398 HA GLU 56 HA GLU 56 -4.490 4.462 -10.277 399 HB2 GLU 56 2HB GLU 56 -3.016 6.237 -8.316 400 HB3 GLU 56 1HB GLU 56 -2.294 5.555 -9.772 401 HG2 GLU 56 2HG GLU 56 -4.790 7.269 -9.786 402 HG3 GLU 56 1HG GLU 56 -3.168 7.903 -10.060 403 H LEU 57 H LEU 57 -3.683 4.392 -6.812 404 HA LEU 57 HA LEU 57 -1.726 2.327 -6.919 405 HB2 LEU 57 2HB LEU 57 -3.592 3.460 -4.824 406 HB3 LEU 57 1HB LEU 57 -2.813 1.930 -4.474 407 HG LEU 57 HG LEU 57 -0.599 2.952 -4.958 408 HD11 LEU 57 1HD1 LEU 57 -1.139 4.635 -6.532 409 HD12 LEU 57 2HD1 LEU 57 -0.562 5.474 -5.092 410 HD13 LEU 57 3HD1 LEU 57 -2.271 5.378 -5.422 411 HD21 LEU 57 3HD2 LEU 57 -2.380 4.258 -2.904 412 HD22 LEU 57 1HD2 LEU 57 -0.653 4.600 -2.998 413 HD23 LEU 57 2HD2 LEU 57 -1.210 2.962 -2.658 414 H GLU 58 H GLU 58 -5.123 1.928 -5.847 415 HA GLU 58 HA GLU 58 -5.107 -0.848 -5.865 416 HB2 GLU 58 2HB GLU 58 -7.464 -0.737 -5.843 417 HB3 GLU 58 1HB GLU 58 -6.883 0.601 -4.933 418 HG2 GLU 58 2HG GLU 58 -8.340 1.823 -6.235 419 HG3 GLU 58 1HG GLU 58 -6.998 1.788 -7.360 420 H ASP 59 H ASP 59 -5.604 1.401 -8.519 421 HA ASP 59 HA ASP 59 -6.598 -0.417 -10.429 422 HB2 ASP 59 2HB ASP 59 -5.129 2.197 -10.562 423 HB3 ASP 59 1HB ASP 59 -5.353 1.282 -12.045 424 H HIS 60 H HIS 60 -3.397 0.174 -9.207 425 HA HIS 60 HA HIS 60 -2.058 -1.310 -11.315 426 HB2 HIS 60 2HB HIS 60 -1.139 -0.302 -8.615 427 HB3 HIS 60 1HB HIS 60 -0.095 -1.185 -9.712 428 HD1 HIS 60 1HD HIS 60 -2.691 1.358 -10.790 429 HD2 HIS 60 2HD HIS 60 1.458 0.986 -10.596 430 HE1 HIS 60 1HE HIS 60 -1.733 3.358 -12.013 431 HE2 HIS 60 2HE HIS 60 0.795 3.146 -11.903 432 H LEU 61 H LEU 61 -3.315 -1.990 -8.099 433 HA LEU 61 HA LEU 61 -2.287 -4.731 -8.183 434 HB2 LEU 61 2HB LEU 61 -3.742 -3.184 -6.022 435 HB3 LEU 61 1HB LEU 61 -3.196 -4.847 -5.851 436 HG LEU 61 HG LEU 61 -1.574 -3.305 -4.845 437 HD11 LEU 61 1HD1 LEU 61 -0.205 -4.108 -7.383 438 HD12 LEU 61 2HD1 LEU 61 -0.942 -5.388 -6.390 439 HD13 LEU 61 3HD1 LEU 61 0.296 -4.337 -5.705 440 HD21 LEU 61 3HD2 LEU 61 -0.692 -1.467 -5.936 441 HD22 LEU 61 1HD2 LEU 61 -2.275 -1.513 -6.645 442 HD23 LEU 61 2HD2 LEU 61 -0.900 -2.155 -7.524 443 H ASP 62 H ASP 62 -4.844 -3.230 -9.493 444 HA ASP 62 HA ASP 62 -6.904 -3.895 -10.154 445 HB2 ASP 62 2HB ASP 62 -5.449 -6.519 -9.934 446 HB3 ASP 62 1HB ASP 62 -7.071 -6.370 -10.587 447 H VAL 63 H VAL 63 -7.245 -3.158 -7.710 448 HA VAL 63 HA VAL 63 -9.054 -5.175 -6.564 449 HB VAL 63 HB VAL 63 -8.085 -4.541 -4.253 450 HG11 VAL 63 1HG1 VAL 63 -7.782 -6.747 -5.232 451 HG12 VAL 63 2HG1 VAL 63 -6.277 -6.224 -4.474 452 HG13 VAL 63 3HG1 VAL 63 -6.449 -6.154 -6.230 453 HG21 VAL 63 3HG2 VAL 63 -5.617 -3.969 -4.405 454 HG22 VAL 63 1HG2 VAL 63 -6.704 -2.662 -4.876 455 HG23 VAL 63 2HG2 VAL 63 -5.879 -3.616 -6.111 456 H SER 64 H SER 64 -10.647 -4.287 -5.156 457 HA SER 64 HA SER 64 -11.027 -1.360 -5.498 458 HB2 SER 64 2HB SER 64 -13.056 -3.533 -4.949 459 HB3 SER 64 1HB SER 64 -13.402 -1.815 -5.125 460 HG SER 64 HG SER 64 -13.700 -2.973 -7.080 461 H LEU 65 H LEU 65 -10.981 -0.124 -3.751 462 HA LEU 65 HA LEU 65 -10.930 -1.427 -1.076 463 HB2 LEU 65 2HB LEU 65 -9.990 1.392 -1.285 464 HB3 LEU 65 1HB LEU 65 -9.277 0.014 -0.454 465 HG LEU 65 HG LEU 65 -8.680 -0.867 -2.818 466 HD11 LEU 65 1HD1 LEU 65 -8.559 1.856 -3.919 467 HD12 LEU 65 2HD1 LEU 65 -10.218 1.394 -3.588 468 HD13 LEU 65 3HD1 LEU 65 -9.220 0.387 -4.627 469 HD21 LEU 65 3HD2 LEU 65 -6.594 0.238 -2.734 470 HD22 LEU 65 1HD2 LEU 65 -7.148 0.350 -1.073 471 HD23 LEU 65 2HD2 LEU 65 -7.303 1.735 -2.149 472 H ASP 66 H ASP 66 -11.837 -0.165 0.700 473 HA ASP 66 HA ASP 66 -14.336 1.125 -0.150 474 HB2 ASP 66 2HB ASP 66 -13.507 -0.567 2.088 475 HB3 ASP 66 1HB ASP 66 -14.390 0.850 2.658 476 HA PRO 67 HA PRO 67 -13.161 5.153 1.047 477 HB2 PRO 67 2HB PRO 67 -15.430 6.072 2.345 478 HB3 PRO 67 1HB PRO 67 -15.300 5.896 0.585 479 HG2 PRO 67 2HG PRO 67 -16.560 4.062 2.579 480 HG3 PRO 67 1HG PRO 67 -17.126 4.532 0.966 481 HD2 PRO 67 2HD PRO 67 -15.915 2.149 1.433 482 HD3 PRO 67 1HD PRO 67 -15.738 3.010 -0.111 483 H THR 68 H THR 68 -15.219 4.192 3.793 484 HA THR 68 HA THR 68 -13.613 5.455 5.734 485 HB THR 68 HB THR 68 -14.965 4.205 7.371 486 HG1 THR 68 1HG THR 68 -15.156 2.229 6.448 487 HG21 THR 68 3HG2 THR 68 -15.879 6.200 6.104 488 HG22 THR 68 1HG2 THR 68 -17.104 5.106 6.745 489 HG23 THR 68 2HG2 THR 68 -16.688 5.057 5.032 490 H LEU 69 H LEU 69 -13.270 2.473 4.097 491 HA LEU 69 HA LEU 69 -11.801 1.049 6.094 492 HB2 LEU 69 2HB LEU 69 -12.927 -0.058 4.211 493 HB3 LEU 69 1HB LEU 69 -11.812 0.702 3.086 494 HG LEU 69 HG LEU 69 -10.801 -0.951 5.420 495 HD11 LEU 69 1HD1 LEU 69 -10.684 -2.879 3.878 496 HD12 LEU 69 2HD1 LEU 69 -11.568 -1.947 2.668 497 HD13 LEU 69 3HD1 LEU 69 -12.350 -2.383 4.186 498 HD21 LEU 69 3HD2 LEU 69 -8.865 -0.135 4.546 499 HD22 LEU 69 1HD2 LEU 69 -9.616 0.376 3.036 500 HD23 LEU 69 2HD2 LEU 69 -9.100 -1.288 3.243 501 H ILE 70 H ILE 70 -10.873 3.092 3.340 502 HA ILE 70 HA ILE 70 -8.110 2.714 3.433 503 HB ILE 70 HB ILE 70 -9.767 5.113 2.645 504 HG12 ILE 70 2HG1 ILE 70 -8.160 3.270 0.861 505 HG13 ILE 70 1HG1 ILE 70 -9.780 2.831 1.367 506 HG21 ILE 70 1HG2 ILE 70 -7.588 5.757 1.425 507 HG22 ILE 70 2HG2 ILE 70 -6.785 4.633 2.522 508 HG23 ILE 70 3HG2 ILE 70 -7.640 6.036 3.167 509 HD11 ILE 70 3HD1 ILE 70 -10.762 4.678 0.273 510 HD12 ILE 70 1HD1 ILE 70 -9.527 4.131 -0.860 511 HD13 ILE 70 2HD1 ILE 70 -9.223 5.538 0.157 512 H TRP 71 H TRP 71 -10.197 4.880 5.288 513 HA TRP 71 HA TRP 71 -8.005 6.178 6.634 514 HB2 TRP 71 2HB TRP 71 -10.988 6.125 7.115 515 HB3 TRP 71 1HB TRP 71 -9.869 7.029 8.133 516 HD1 TRP 71 HD TRP 71 -11.880 7.366 5.088 517 HE1 TRP 71 1HE TRP 71 -11.173 9.451 3.744 518 HE3 TRP 71 3HE TRP 71 -7.466 8.463 7.414 519 HZ2 TRP 71 2HZ TRP 71 -9.017 11.330 3.659 520 HZ3 TRP 71 3HZ TRP 71 -6.108 10.403 6.683 521 HH2 TRP 71 HH TRP 71 -6.878 11.838 4.814 522 H ASP 72 H ASP 72 -9.363 3.133 6.863 523 HA ASP 72 HA ASP 72 -9.016 2.836 9.761 524 HB2 ASP 72 2HB ASP 72 -10.897 1.736 8.478 525 HB3 ASP 72 1HB ASP 72 -9.680 0.683 7.745 526 H HIS 73 H HIS 73 -7.476 1.909 6.728 527 HA HIS 73 HA HIS 73 -5.172 0.826 8.281 528 HB2 HIS 73 2HB HIS 73 -5.928 0.023 5.475 529 HB3 HIS 73 1HB HIS 73 -4.778 -0.757 6.568 530 HD1 HIS 73 1HD HIS 73 -6.811 -0.479 9.079 531 HD2 HIS 73 2HD HIS 73 -7.614 -2.270 5.401 532 HE1 HIS 73 1HE HIS 73 -8.721 -2.096 9.467 533 HE2 HIS 73 2HE HIS 73 -9.217 -3.201 7.238 534 HA PRO 74 HA PRO 74 -3.935 4.451 5.537 535 HB2 PRO 74 2HB PRO 74 -3.192 6.196 7.522 536 HB3 PRO 74 1HB PRO 74 -4.845 6.090 6.895 537 HG2 PRO 74 2HG PRO 74 -3.701 4.893 9.384 538 HG3 PRO 74 1HG PRO 74 -5.263 5.708 9.137 539 HD2 PRO 74 2HD PRO 74 -5.025 2.984 9.209 540 HD3 PRO 74 1HD PRO 74 -6.251 3.842 8.237 541 H THR 75 H THR 75 -2.648 2.237 7.592 542 HA THR 75 HA THR 75 0.149 3.208 7.237 543 HB THR 75 HB THR 75 0.578 1.443 9.098 544 HG1 THR 75 1HG THR 75 -1.123 0.543 9.892 545 HG21 THR 75 3HG2 THR 75 -0.160 3.125 10.852 546 HG22 THR 75 1HG2 THR 75 -0.880 4.057 9.539 547 HG23 THR 75 2HG2 THR 75 0.863 3.772 9.569 548 H ILE 76 H ILE 76 1.730 1.728 6.610 549 HA ILE 76 HA ILE 76 0.943 -0.079 4.581 550 HB ILE 76 HB ILE 76 3.577 0.266 6.021 551 HG12 ILE 76 2HG1 ILE 76 2.472 1.235 3.364 552 HG13 ILE 76 1HG1 ILE 76 2.937 2.224 4.740 553 HG21 ILE 76 1HG2 ILE 76 3.361 -2.028 5.007 554 HG22 ILE 76 2HG2 ILE 76 4.566 -1.061 4.206 555 HG23 ILE 76 3HG2 ILE 76 2.985 -1.270 3.473 556 HD11 ILE 76 3HD1 ILE 76 4.611 1.070 2.631 557 HD12 ILE 76 1HD1 ILE 76 5.259 0.758 4.235 558 HD13 ILE 76 2HD1 ILE 76 4.956 2.413 3.712 559 H ASP 77 H ASP 77 2.018 -0.556 7.923 560 HA ASP 77 HA ASP 77 2.240 -3.327 7.962 561 HB2 ASP 77 2HB ASP 77 2.869 -1.869 9.853 562 HB3 ASP 77 1HB ASP 77 1.165 -1.528 10.152 563 H ALA 78 H ALA 78 -0.653 -1.308 8.524 564 HA ALA 78 HA ALA 78 -2.399 -3.535 8.916 565 HB1 ALA 78 1HB ALA 78 -3.028 -1.418 9.859 566 HB2 ALA 78 2HB ALA 78 -4.193 -1.788 8.590 567 HB3 ALA 78 3HB ALA 78 -2.909 -0.616 8.293 568 H LEU 79 H LEU 79 -1.770 -1.349 6.177 569 HA LEU 79 HA LEU 79 -3.641 -2.487 4.466 570 HB2 LEU 79 2HB LEU 79 -2.027 -0.325 4.280 571 HB3 LEU 79 1HB LEU 79 -1.079 -1.420 3.304 572 HG LEU 79 HG LEU 79 -2.563 -0.300 1.790 573 HD11 LEU 79 1HD1 LEU 79 -2.367 -2.883 1.664 574 HD12 LEU 79 2HD1 LEU 79 -3.639 -2.126 0.753 575 HD13 LEU 79 3HD1 LEU 79 -4.002 -2.914 2.279 576 HD21 LEU 79 3HD2 LEU 79 -5.084 -1.225 3.138 577 HD22 LEU 79 1HD2 LEU 79 -4.757 0.267 2.272 578 HD23 LEU 79 2HD2 LEU 79 -4.230 0.089 3.932 579 H SER 80 H SER 80 -0.201 -3.173 4.871 580 HA SER 80 HA SER 80 0.037 -5.128 2.855 581 HB2 SER 80 2HB SER 80 2.059 -4.262 3.725 582 HB3 SER 80 1HB SER 80 1.581 -4.597 5.387 583 HG SER 80 HG SER 80 2.007 -6.558 3.376 584 H THR 81 H THR 81 -0.628 -5.418 6.336 585 HA THR 81 HA THR 81 -0.791 -8.217 6.461 586 HB THR 81 HB THR 81 -2.248 -6.141 8.101 587 HG1 THR 81 1HG THR 81 -0.359 -5.902 8.943 588 HG21 THR 81 3HG2 THR 81 -3.384 -8.213 8.426 589 HG22 THR 81 1HG2 THR 81 -2.271 -8.062 9.784 590 HG23 THR 81 2HG2 THR 81 -1.871 -9.120 8.432 591 H ALA 82 H ALA 82 -3.238 -5.770 5.722 592 HA ALA 82 HA ALA 82 -5.423 -7.589 5.547 593 HB1 ALA 82 1HB ALA 82 -5.689 -5.141 5.888 594 HB2 ALA 82 2HB ALA 82 -6.628 -5.741 4.521 595 HB3 ALA 82 3HB ALA 82 -5.118 -4.875 4.241 596 H LEU 83 H LEU 83 -3.159 -6.222 3.163 597 HA LEU 83 HA LEU 83 -4.444 -7.186 0.864 598 HB2 LEU 83 2HB LEU 83 -2.336 -5.565 1.245 599 HB3 LEU 83 1HB LEU 83 -1.420 -7.047 0.954 600 HG LEU 83 HG LEU 83 -3.537 -5.888 -0.886 601 HD11 LEU 83 1HD1 LEU 83 -1.375 -5.827 -2.381 602 HD12 LEU 83 2HD1 LEU 83 -0.540 -5.847 -0.829 603 HD13 LEU 83 3HD1 LEU 83 -1.660 -4.546 -1.203 604 HD21 LEU 83 3HD2 LEU 83 -3.665 -8.217 -1.223 605 HD22 LEU 83 1HD2 LEU 83 -1.942 -8.447 -0.885 606 HD23 LEU 83 2HD2 LEU 83 -2.451 -7.725 -2.408 607 H VAL 84 H VAL 84 -1.860 -8.629 2.836 608 HA VAL 84 HA VAL 84 -1.677 -11.013 1.267 609 HB VAL 84 HB VAL 84 0.159 -10.190 2.707 610 HG11 VAL 84 1HG1 VAL 84 -1.623 -11.119 4.982 611 HG12 VAL 84 2HG1 VAL 84 -1.269 -9.448 4.574 612 HG13 VAL 84 3HG1 VAL 84 0.018 -10.501 5.126 613 HG21 VAL 84 3HG2 VAL 84 0.646 -12.441 3.752 614 HG22 VAL 84 1HG2 VAL 84 0.222 -12.513 2.049 615 HG23 VAL 84 2HG2 VAL 84 -0.949 -12.955 3.287 616 H ALA 85 H ALA 85 -3.693 -9.956 3.890 617 HA ALA 85 HA ALA 85 -4.560 -12.515 4.752 618 HB1 ALA 85 1HB ALA 85 -4.737 -10.532 6.209 619 HB2 ALA 85 2HB ALA 85 -6.316 -11.276 5.960 620 HB3 ALA 85 3HB ALA 85 -5.881 -9.816 5.077 621 H GLU 86 H GLU 86 -5.506 -10.323 2.248 622 HA GLU 86 HA GLU 86 -8.090 -10.976 1.612 623 HB2 GLU 86 2HB GLU 86 -5.676 -10.665 -0.198 624 HB3 GLU 86 1HB GLU 86 -7.305 -10.895 -0.843 625 HG2 GLU 86 2HG GLU 86 -6.571 -8.736 1.135 626 HG3 GLU 86 1HG GLU 86 -6.590 -8.484 -0.603 627 H LEU 87 H LEU 87 -5.289 -12.828 0.327 628 HA LEU 87 HA LEU 87 -7.071 -15.173 0.029 629 HB2 LEU 87 2HB LEU 87 -4.263 -14.685 -1.022 630 HB3 LEU 87 1HB LEU 87 -5.266 -16.099 -1.349 631 HG LEU 87 HG LEU 87 -7.027 -14.166 -2.099 632 HD11 LEU 87 1HD1 LEU 87 -5.073 -12.503 -1.495 633 HD12 LEU 87 2HD1 LEU 87 -6.025 -12.237 -2.952 634 HD13 LEU 87 3HD1 LEU 87 -4.430 -12.981 -3.064 635 HD21 LEU 87 3HD2 LEU 87 -6.278 -14.556 -4.411 636 HD22 LEU 87 1HD2 LEU 87 -6.256 -16.056 -3.482 637 HD23 LEU 87 2HD2 LEU 87 -4.749 -15.201 -3.812 638 H ARG 88 H ARG 88 -4.722 -13.873 2.083 639 HA ARG 88 HA ARG 88 -3.284 -14.770 3.647 640 HB2 ARG 88 2HB ARG 88 -5.844 -15.034 4.395 641 HB3 ARG 88 1HB ARG 88 -5.461 -16.735 4.346 642 HG2 ARG 88 2HG ARG 88 -3.859 -14.678 5.875 643 HG3 ARG 88 1HG ARG 88 -5.058 -15.751 6.558 644 HD2 ARG 88 2HD ARG 88 -3.698 -17.689 5.574 645 HD3 ARG 88 1HD ARG 88 -2.434 -16.502 5.270 646 HE ARG 88 HE ARG 88 -2.022 -16.376 7.566 647 HH11 ARG 88 1HH2 ARG 88 -4.861 -18.217 6.838 648 HH12 ARG 88 2HH2 ARG 88 -5.023 -18.858 8.437 649 HH21 ARG 88 1HH1 ARG 88 -2.228 -17.214 9.668 650 HH22 ARG 88 2HH1 ARG 88 -3.533 -18.291 10.040 651 H SER 89 H SER 89 -5.049 -17.779 3.072 652 HA SER 89 HA SER 89 -2.573 -19.233 2.813 653 HB2 SER 89 2HB SER 89 -4.182 -21.185 2.526 654 HB3 SER 89 1HB SER 89 -4.263 -20.335 4.063 655 HG SER 89 HG SER 89 -6.047 -19.185 3.255 656 H ALA 90 H ALA 90 -5.311 -20.162 0.891 657 HA ALA 90 HA ALA 90 -3.677 -20.293 -1.481 658 HB1 ALA 90 1HB ALA 90 -5.847 -21.070 -2.533 659 HB2 ALA 90 2HB ALA 90 -6.588 -20.896 -0.943 660 HB3 ALA 90 3HB ALA 90 -5.273 -22.047 -1.182
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