NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
582317 | 2mlb | 19811 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 -10.171 9.924 -13.991 2 H2 MET 1 HT2 MET 1 -9.670 10.736 -12.594 3 H3 MET 1 HT3 MET 1 -11.267 10.198 -12.732 4 HA MET 1 HA MET 1 -10.555 7.914 -12.721 5 HB2 MET 1 HB2 MET 1 -7.818 9.170 -12.498 6 HB3 MET 1 HB1 MET 1 -8.134 7.491 -12.087 7 HG2 MET 1 HG2 MET 1 -8.856 7.043 -14.358 8 HG3 MET 1 HG1 MET 1 -8.619 8.738 -14.782 9 HE1 MET 1 HE1 MET 1 -7.345 6.292 -16.405 10 HE2 MET 1 HE2 MET 1 -5.697 6.858 -16.671 11 HE3 MET 1 HE3 MET 1 -7.053 7.970 -16.862 12 H ASP 2 HN ASP 2 -10.707 6.857 -10.798 13 HA ASP 2 HA ASP 2 -10.103 8.330 -8.340 14 HB2 ASP 2 HB2 ASP 2 -12.774 7.157 -9.103 15 HB3 ASP 2 HB1 ASP 2 -12.336 7.465 -7.427 16 H THR 3 HN THR 3 -9.943 5.501 -10.113 17 HA THR 3 HA THR 3 -9.661 3.815 -7.716 18 HB THR 3 HB THR 3 -9.722 1.902 -9.401 19 HG1 THR 3 HG1 THR 3 -9.370 3.452 -11.217 20 HG21 THR 3 HG21 THR 3 -12.173 1.967 -9.599 21 HG22 THR 3 HG22 THR 3 -12.160 3.669 -9.136 22 HG23 THR 3 HG23 THR 3 -11.636 2.437 -7.987 23 H ILE 4 HN ILE 4 -7.869 2.439 -7.501 24 HA ILE 4 HA ILE 4 -5.554 3.093 -9.204 25 HB ILE 4 HB ILE 4 -4.137 2.714 -7.126 26 HG12 ILE 4 HG12 ILE 4 -6.414 3.599 -5.449 27 HG13 ILE 4 HG11 ILE 4 -6.439 1.912 -5.945 28 HG21 ILE 4 HG21 ILE 4 -5.944 5.117 -7.289 29 HG22 ILE 4 HG22 ILE 4 -4.381 4.904 -8.079 30 HG23 ILE 4 HG23 ILE 4 -4.474 5.032 -6.321 31 HD11 ILE 4 HD11 ILE 4 -4.180 3.277 -4.499 32 HD12 ILE 4 HD12 ILE 4 -4.248 1.575 -4.955 33 HD13 ILE 4 HD13 ILE 4 -5.384 2.214 -3.768 34 H ASN 5 HN ASN 5 -3.831 1.442 -9.126 35 HA ASN 5 HA ASN 5 -4.958 -1.251 -8.746 36 HB2 ASN 5 HB2 ASN 5 -4.497 -1.660 -10.901 37 HB3 ASN 5 HB1 ASN 5 -3.839 -0.047 -11.089 38 HD21 ASN 5 HD21 ASN 5 -1.723 0.205 -11.314 39 HD22 ASN 5 HD22 ASN 5 -0.583 -1.091 -11.310 40 H ILE 6 HN ILE 6 -3.801 -2.698 -7.599 41 HA ILE 6 HA ILE 6 -1.120 -1.883 -6.699 42 HB ILE 6 HB ILE 6 -2.878 -3.483 -4.875 43 HG12 ILE 6 HG12 ILE 6 -3.096 -0.952 -3.852 44 HG13 ILE 6 HG11 ILE 6 -3.236 -0.640 -5.580 45 HG21 ILE 6 HG21 ILE 6 -0.975 -1.389 -3.983 46 HG22 ILE 6 HG22 ILE 6 -0.308 -2.857 -4.694 47 HG23 ILE 6 HG23 ILE 6 -1.345 -2.962 -3.273 48 HD11 ILE 6 HD11 ILE 6 -5.400 -0.967 -4.413 49 HD12 ILE 6 HD12 ILE 6 -4.921 -2.630 -4.080 50 HD13 ILE 6 HD13 ILE 6 -5.131 -2.088 -5.744 51 H THR 7 HN THR 7 0.331 -3.267 -7.399 52 HA THR 7 HA THR 7 -0.473 -5.973 -8.134 53 HB THR 7 HB THR 7 2.323 -5.031 -8.529 54 HG1 THR 7 HG1 THR 7 0.162 -3.657 -9.403 55 HG21 THR 7 HG21 THR 7 1.647 -7.273 -9.235 56 HG22 THR 7 HG22 THR 7 2.064 -6.279 -10.631 57 HG23 THR 7 HG23 THR 7 0.373 -6.580 -10.239 58 H LEU 8 HN LEU 8 -0.236 -7.579 -6.764 59 HA LEU 8 HA LEU 8 1.703 -7.364 -4.596 60 HB2 LEU 8 HB2 LEU 8 0.432 -9.399 -3.743 61 HB3 LEU 8 HB1 LEU 8 -0.405 -7.873 -3.777 62 HG LEU 8 HG LEU 8 -0.814 -9.564 -6.147 63 HD11 LEU 8 HD11 LEU 8 -0.787 -11.195 -4.267 64 HD12 LEU 8 HD12 LEU 8 -2.353 -11.052 -5.065 65 HD13 LEU 8 HD13 LEU 8 -2.083 -10.271 -3.507 66 HD21 LEU 8 HD21 LEU 8 -1.955 -7.409 -5.805 67 HD22 LEU 8 HD22 LEU 8 -2.679 -8.039 -4.325 68 HD23 LEU 8 HD23 LEU 8 -3.095 -8.751 -5.883 69 HA PRO 9 HA PRO 9 4.591 -10.374 -6.035 70 HB2 PRO 9 HB2 PRO 9 4.591 -12.256 -3.984 71 HB3 PRO 9 HB1 PRO 9 5.551 -10.772 -4.025 72 HG2 PRO 9 HG2 PRO 9 2.966 -11.298 -2.643 73 HG3 PRO 9 HG1 PRO 9 4.360 -10.340 -2.107 74 HD2 PRO 9 HD2 PRO 9 2.164 -9.153 -3.027 75 HD3 PRO 9 HD1 PRO 9 3.775 -8.512 -3.401 76 H ASP 10 HN ASP 10 1.409 -11.517 -5.136 77 HA ASP 10 HA ASP 10 1.660 -14.155 -6.168 78 HB2 ASP 10 HB2 ASP 10 -0.152 -13.174 -4.591 79 HB3 ASP 10 HB1 ASP 10 -0.942 -12.656 -6.074 80 H GLY 11 HN GLY 11 1.193 -11.048 -7.604 81 HA2 GLY 11 HA2 GLY 11 1.711 -10.770 -9.941 82 HA3 GLY 11 HA1 GLY 11 1.075 -12.376 -10.239 83 H LYS 12 HN LYS 12 -1.292 -11.517 -8.404 84 HA LYS 12 HA LYS 12 -2.860 -10.482 -10.610 85 HB2 LYS 12 HB2 LYS 12 -4.785 -10.704 -8.976 86 HB3 LYS 12 HB1 LYS 12 -3.968 -12.196 -9.411 87 HG2 LYS 12 HG2 LYS 12 -2.642 -11.931 -7.267 88 HG3 LYS 12 HG1 LYS 12 -3.795 -10.664 -6.835 89 HD2 LYS 12 HD2 LYS 12 -5.634 -12.284 -7.109 90 HD3 LYS 12 HD1 LYS 12 -4.450 -13.544 -7.462 91 HE2 LYS 12 HE2 LYS 12 -3.461 -13.225 -5.242 92 HE3 LYS 12 HE1 LYS 12 -4.652 -11.973 -4.893 93 HZ1 LYS 12 HZ1 LYS 12 -6.401 -13.627 -5.122 94 HZ2 LYS 12 HZ2 LYS 12 -5.292 -14.097 -3.935 95 HZ3 LYS 12 HZ3 LYS 12 -5.258 -14.827 -5.460 96 H THR 13 HN THR 13 -4.586 -8.764 -9.931 97 HA THR 13 HA THR 13 -3.251 -6.654 -8.379 98 HB THR 13 HB THR 13 -4.256 -5.019 -10.068 99 HG1 THR 13 HG1 THR 13 -4.083 -6.793 -12.115 100 HG21 THR 13 HG21 THR 13 -1.863 -5.461 -9.929 101 HG22 THR 13 HG22 THR 13 -2.357 -5.281 -11.611 102 HG23 THR 13 HG23 THR 13 -2.052 -6.886 -10.948 103 H LEU 14 HN LEU 14 -4.596 -5.144 -7.366 104 HA LEU 14 HA LEU 14 -7.420 -5.957 -7.154 105 HB2 LEU 14 HB2 LEU 14 -5.393 -5.344 -5.095 106 HB3 LEU 14 HB1 LEU 14 -7.003 -4.706 -4.809 107 HG LEU 14 HG LEU 14 -6.892 -7.550 -5.586 108 HD11 LEU 14 HD11 LEU 14 -6.222 -8.301 -3.376 109 HD12 LEU 14 HD12 LEU 14 -5.894 -6.636 -2.895 110 HD13 LEU 14 HD13 LEU 14 -4.924 -7.399 -4.155 111 HD21 LEU 14 HD21 LEU 14 -8.974 -6.425 -4.987 112 HD22 LEU 14 HD22 LEU 14 -8.315 -6.037 -3.397 113 HD23 LEU 14 HD23 LEU 14 -8.598 -7.719 -3.848 114 H THR 15 HN THR 15 -8.966 -4.304 -6.880 115 HA THR 15 HA THR 15 -8.018 -1.638 -7.704 116 HB THR 15 HB THR 15 -10.871 -2.449 -8.057 117 HG1 THR 15 HG1 THR 15 -8.781 -3.755 -9.170 118 HG21 THR 15 HG21 THR 15 -10.237 -0.165 -8.566 119 HG22 THR 15 HG22 THR 15 -10.640 -1.012 -10.061 120 HG23 THR 15 HG23 THR 15 -8.951 -0.732 -9.634 121 H LEU 16 HN LEU 16 -8.225 -0.057 -6.284 122 HA LEU 16 HA LEU 16 -10.405 -0.141 -4.324 123 HB2 LEU 16 HB2 LEU 16 -8.109 -0.942 -3.425 124 HB3 LEU 16 HB1 LEU 16 -7.655 0.749 -3.511 125 HG LEU 16 HG LEU 16 -9.808 1.124 -2.070 126 HD11 LEU 16 HD11 LEU 16 -10.252 -0.747 -0.542 127 HD12 LEU 16 HD12 LEU 16 -9.184 -1.771 -1.505 128 HD13 LEU 16 HD13 LEU 16 -10.669 -1.136 -2.212 129 HD21 LEU 16 HD21 LEU 16 -7.271 -0.081 -0.975 130 HD22 LEU 16 HD22 LEU 16 -8.471 0.792 -0.023 131 HD23 LEU 16 HD23 LEU 16 -7.577 1.627 -1.295 132 H THR 17 HN THR 17 -10.849 1.973 -3.352 133 HA THR 17 HA THR 17 -10.386 4.114 -5.292 134 HB THR 17 HB THR 17 -12.242 4.479 -2.983 135 HG1 THR 17 HG1 THR 17 -13.276 3.211 -5.254 136 HG21 THR 17 HG21 THR 17 -12.371 5.210 -5.911 137 HG22 THR 17 HG22 THR 17 -11.902 6.283 -4.594 138 HG23 THR 17 HG23 THR 17 -13.553 5.672 -4.686 139 H VAL 18 HN VAL 18 -9.381 6.029 -4.771 140 HA VAL 18 HA VAL 18 -8.227 6.192 -2.057 141 HB VAL 18 HB VAL 18 -6.447 7.657 -3.250 142 HG11 VAL 18 HG11 VAL 18 -5.188 5.530 -3.912 143 HG12 VAL 18 HG12 VAL 18 -6.624 4.668 -3.361 144 HG13 VAL 18 HG13 VAL 18 -5.721 5.686 -2.240 145 HG21 VAL 18 HG21 VAL 18 -7.520 7.809 -5.411 146 HG22 VAL 18 HG22 VAL 18 -7.503 6.052 -5.576 147 HG23 VAL 18 HG23 VAL 18 -5.985 6.953 -5.568 148 H THR 19 HN THR 19 -8.063 8.213 -1.070 149 HA THR 19 HA THR 19 -9.343 10.484 -2.410 150 HB THR 19 HB THR 19 -10.488 11.026 -0.183 151 HG1 THR 19 HG1 THR 19 -10.133 8.228 0.221 152 HG21 THR 19 HG21 THR 19 -11.736 10.324 -2.163 153 HG22 THR 19 HG22 THR 19 -12.442 9.629 -0.704 154 HG23 THR 19 HG23 THR 19 -11.444 8.631 -1.761 155 HA PRO 20 HA PRO 20 -6.058 12.775 -0.534 156 HB2 PRO 20 HB2 PRO 20 -7.740 15.116 -0.141 157 HB3 PRO 20 HB1 PRO 20 -6.457 14.858 -1.328 158 HG2 PRO 20 HG2 PRO 20 -9.072 15.031 -2.014 159 HG3 PRO 20 HG1 PRO 20 -7.886 14.081 -2.927 160 HD2 PRO 20 HD2 PRO 20 -9.928 13.155 -0.956 161 HD3 PRO 20 HD1 PRO 20 -9.415 12.417 -2.488 162 H GLU 21 HN GLU 21 -8.880 12.069 1.189 163 HA GLU 21 HA GLU 21 -7.955 13.364 3.639 164 HB2 GLU 21 HB2 GLU 21 -10.431 13.244 2.676 165 HB3 GLU 21 HB1 GLU 21 -10.443 11.731 3.573 166 HG2 GLU 21 HG2 GLU 21 -9.859 12.925 5.613 167 HG3 GLU 21 HG1 GLU 21 -9.807 14.443 4.717 168 H PHE 22 HN PHE 22 -7.732 10.385 2.065 169 HA PHE 22 HA PHE 22 -7.640 8.761 4.453 170 HB2 PHE 22 HB2 PHE 22 -7.800 8.310 1.614 171 HB3 PHE 22 HB1 PHE 22 -6.486 7.380 2.289 172 HD1 PHE 22 HD1 PHE 22 -10.083 8.135 2.827 173 HD2 PHE 22 HD2 PHE 22 -6.915 5.327 3.253 174 HE1 PHE 22 HE1 PHE 22 -11.694 6.442 3.594 175 HE2 PHE 22 HE2 PHE 22 -8.520 3.631 4.024 176 HZ PHE 22 HZ PHE 22 -10.912 4.185 4.194 177 H THR 23 HN THR 23 -5.811 7.875 5.363 178 HA THR 23 HA THR 23 -3.303 9.221 4.677 179 HB THR 23 HB THR 23 -2.484 8.111 6.833 180 HG1 THR 23 HG1 THR 23 -4.910 7.938 7.967 181 HG21 THR 23 HG21 THR 23 -2.979 10.460 6.801 182 HG22 THR 23 HG22 THR 23 -3.660 9.775 8.277 183 HG23 THR 23 HG23 THR 23 -4.712 10.145 6.910 184 H VAL 24 HN VAL 24 -1.295 7.767 4.930 185 HA VAL 24 HA VAL 24 -1.505 5.649 3.049 186 HB VAL 24 HB VAL 24 0.806 6.150 4.937 187 HG11 VAL 24 HG11 VAL 24 0.894 4.018 3.736 188 HG12 VAL 24 HG12 VAL 24 2.159 5.119 3.192 189 HG13 VAL 24 HG13 VAL 24 0.720 4.875 2.204 190 HG21 VAL 24 HG21 VAL 24 0.272 8.223 3.810 191 HG22 VAL 24 HG22 VAL 24 0.242 7.398 2.250 192 HG23 VAL 24 HG23 VAL 24 1.756 7.548 3.142 193 H LYS 25 HN LYS 25 -1.473 5.823 6.537 194 HA LYS 25 HA LYS 25 -1.133 3.035 7.024 195 HB2 LYS 25 HB2 LYS 25 -0.792 5.103 8.588 196 HB3 LYS 25 HB1 LYS 25 -2.503 4.888 8.935 197 HG2 LYS 25 HG2 LYS 25 -2.098 2.642 9.726 198 HG3 LYS 25 HG1 LYS 25 -0.391 2.773 9.293 199 HD2 LYS 25 HD2 LYS 25 -0.119 4.590 10.901 200 HD3 LYS 25 HD1 LYS 25 -1.829 4.482 11.324 201 HE2 LYS 25 HE2 LYS 25 -1.484 2.184 12.095 202 HE3 LYS 25 HE1 LYS 25 0.227 2.306 11.684 203 HZ1 LYS 25 HZ1 LYS 25 0.450 4.086 13.301 204 HZ2 LYS 25 HZ2 LYS 25 -0.142 2.684 14.038 205 HZ3 LYS 25 HZ3 LYS 25 -1.192 3.965 13.697 206 H GLU 26 HN GLU 26 -3.909 5.180 6.677 207 HA GLU 26 HA GLU 26 -5.867 3.261 7.449 208 HB2 GLU 26 HB2 GLU 26 -5.917 5.927 7.151 209 HB3 GLU 26 HB1 GLU 26 -6.628 5.458 5.611 210 HG2 GLU 26 HG2 GLU 26 -8.435 4.373 6.666 211 HG3 GLU 26 HG1 GLU 26 -7.648 4.432 8.244 212 H LEU 27 HN LEU 27 -4.804 4.495 4.266 213 HA LEU 27 HA LEU 27 -6.456 2.885 2.701 214 HB2 LEU 27 HB2 LEU 27 -5.004 4.866 2.027 215 HB3 LEU 27 HB1 LEU 27 -3.676 3.729 1.947 216 HG LEU 27 HG LEU 27 -5.259 2.405 0.336 217 HD11 LEU 27 HD11 LEU 27 -6.731 3.842 -0.964 218 HD12 LEU 27 HD12 LEU 27 -6.357 5.202 0.097 219 HD13 LEU 27 HD13 LEU 27 -7.223 3.801 0.729 220 HD21 LEU 27 HD21 LEU 27 -3.874 4.957 -0.483 221 HD22 LEU 27 HD22 LEU 27 -4.348 3.650 -1.569 222 HD23 LEU 27 HD23 LEU 27 -3.129 3.365 -0.328 223 H ALA 28 HN ALA 28 -3.336 2.207 4.189 224 HA ALA 28 HA ALA 28 -2.864 -0.234 2.805 225 HB1 ALA 28 HB1 ALA 28 -1.693 0.724 5.410 226 HB2 ALA 28 HB2 ALA 28 -1.053 1.072 3.803 227 HB3 ALA 28 HB3 ALA 28 -1.070 -0.586 4.406 228 H GLU 29 HN GLU 29 -4.424 0.560 5.888 229 HA GLU 29 HA GLU 29 -4.607 -2.138 6.772 230 HB2 GLU 29 HB2 GLU 29 -5.796 -1.342 8.610 231 HB3 GLU 29 HB1 GLU 29 -4.753 0.004 8.180 232 HG2 GLU 29 HG2 GLU 29 -6.678 1.007 6.952 233 HG3 GLU 29 HG1 GLU 29 -7.690 -0.284 7.601 234 H GLU 30 HN GLU 30 -6.528 -0.216 4.619 235 HA GLU 30 HA GLU 30 -8.917 -1.773 4.788 236 HB2 GLU 30 HB2 GLU 30 -8.066 0.580 3.436 237 HB3 GLU 30 HB1 GLU 30 -8.676 -0.536 2.223 238 HG2 GLU 30 HG2 GLU 30 -10.466 0.867 2.932 239 HG3 GLU 30 HG1 GLU 30 -10.759 -0.761 3.537 240 H ILE 31 HN ILE 31 -6.281 -1.621 2.407 241 HA ILE 31 HA ILE 31 -7.244 -3.774 0.832 242 HB ILE 31 HB ILE 31 -5.715 -1.977 0.008 243 HG12 ILE 31 HG12 ILE 31 -4.161 -3.717 -1.217 244 HG13 ILE 31 HG11 ILE 31 -5.202 -4.891 -0.418 245 HG21 ILE 31 HG21 ILE 31 -3.335 -2.132 0.374 246 HG22 ILE 31 HG22 ILE 31 -3.553 -3.555 1.393 247 HG23 ILE 31 HG23 ILE 31 -4.163 -1.989 1.926 248 HD11 ILE 31 HD11 ILE 31 -7.133 -4.017 -1.512 249 HD12 ILE 31 HD12 ILE 31 -5.890 -4.320 -2.728 250 HD13 ILE 31 HD13 ILE 31 -6.206 -2.671 -2.180 251 H ALA 32 HN ALA 32 -5.079 -3.602 3.586 252 HA ALA 32 HA ALA 32 -3.964 -6.201 3.332 253 HB1 ALA 32 HB1 ALA 32 -2.912 -4.418 4.655 254 HB2 ALA 32 HB2 ALA 32 -3.156 -5.891 5.596 255 HB3 ALA 32 HB3 ALA 32 -4.238 -4.515 5.813 256 H ARG 33 HN ARG 33 -6.930 -4.992 4.689 257 HA ARG 33 HA ARG 33 -7.541 -7.165 6.382 258 HB2 ARG 33 HB2 ARG 33 -8.632 -4.756 6.037 259 HB3 ARG 33 HB1 ARG 33 -9.747 -5.692 5.049 260 HG2 ARG 33 HG2 ARG 33 -10.254 -7.128 6.945 261 HG3 ARG 33 HG1 ARG 33 -9.099 -6.237 7.939 262 HD2 ARG 33 HD2 ARG 33 -11.219 -5.371 8.487 263 HD3 ARG 33 HD1 ARG 33 -10.466 -4.170 7.442 264 HE ARG 33 HE ARG 33 -11.977 -5.879 5.836 265 HH11 ARG 33 HH12 ARG 33 -12.474 -3.512 8.348 266 HH12 ARG 33 HH11 ARG 33 -14.046 -3.053 7.785 267 HH21 ARG 33 HH21 ARG 33 -14.052 -5.283 5.091 268 HH22 ARG 33 HH22 ARG 33 -14.942 -4.061 5.933 269 H ARG 34 HN ARG 34 -8.026 -6.639 2.943 270 HA ARG 34 HA ARG 34 -9.784 -8.902 2.644 271 HB2 ARG 34 HB2 ARG 34 -8.525 -6.958 0.742 272 HB3 ARG 34 HB1 ARG 34 -9.291 -8.421 0.137 273 HG2 ARG 34 HG2 ARG 34 -11.060 -6.992 0.024 274 HG3 ARG 34 HG1 ARG 34 -11.277 -7.600 1.667 275 HD2 ARG 34 HD2 ARG 34 -10.139 -5.656 2.565 276 HD3 ARG 34 HD1 ARG 34 -9.828 -5.061 0.938 277 HE ARG 34 HE ARG 34 -12.619 -5.467 1.620 278 HH11 ARG 34 HH12 ARG 34 -9.945 -3.238 1.406 279 HH12 ARG 34 HH11 ARG 34 -10.954 -1.829 1.367 280 HH21 ARG 34 HH22 ARG 34 -13.956 -3.613 1.585 281 HH22 ARG 34 HH21 ARG 34 -13.233 -2.043 1.469 282 H LEU 35 HN LEU 35 -6.362 -8.382 2.578 283 HA LEU 35 HA LEU 35 -5.918 -10.938 1.228 284 HB2 LEU 35 HB2 LEU 35 -4.536 -8.541 1.175 285 HB3 LEU 35 HB1 LEU 35 -3.539 -9.560 2.192 286 HG LEU 35 HG LEU 35 -2.802 -9.651 -0.132 287 HD11 LEU 35 HD11 LEU 35 -2.552 -11.643 1.289 288 HD12 LEU 35 HD12 LEU 35 -2.732 -12.044 -0.420 289 HD13 LEU 35 HD13 LEU 35 -4.094 -12.245 0.683 290 HD21 LEU 35 HD21 LEU 35 -5.465 -10.881 -0.798 291 HD22 LEU 35 HD22 LEU 35 -4.155 -10.477 -1.904 292 HD23 LEU 35 HD23 LEU 35 -5.062 -9.193 -1.106 293 H GLY 36 HN GLY 36 -6.072 -9.618 4.377 294 HA2 GLY 36 HA2 GLY 36 -6.052 -10.774 6.390 295 HA3 GLY 36 HA1 GLY 36 -5.498 -12.203 5.531 296 H LEU 37 HN LEU 37 -4.031 -8.966 5.655 297 HA LEU 37 HA LEU 37 -1.745 -10.137 7.094 298 HB2 LEU 37 HB2 LEU 37 -1.436 -8.103 4.902 299 HB3 LEU 37 HB1 LEU 37 -0.173 -8.989 5.727 300 HG LEU 37 HG LEU 37 -2.199 -10.508 4.140 301 HD11 LEU 37 HD11 LEU 37 -0.789 -10.292 2.151 302 HD12 LEU 37 HD12 LEU 37 0.204 -9.099 2.987 303 HD13 LEU 37 HD13 LEU 37 -1.487 -8.746 2.629 304 HD21 LEU 37 HD21 LEU 37 -0.302 -12.021 3.825 305 HD22 LEU 37 HD22 LEU 37 -0.612 -11.720 5.535 306 HD23 LEU 37 HD23 LEU 37 0.731 -10.912 4.727 307 H SER 38 HN SER 38 -0.181 -8.195 7.674 308 HA SER 38 HA SER 38 -1.859 -6.218 9.063 309 HB2 SER 38 HB2 SER 38 0.215 -5.999 10.572 310 HB3 SER 38 HB1 SER 38 -0.724 -7.487 10.704 311 HG SER 38 HG SER 38 1.679 -7.113 9.235 312 HA PRO 39 HA PRO 39 -0.089 -2.981 6.639 313 HB2 PRO 39 HB2 PRO 39 -0.307 -1.178 8.937 314 HB3 PRO 39 HB1 PRO 39 -1.177 -1.146 7.401 315 HG2 PRO 39 HG2 PRO 39 -2.389 -1.809 9.706 316 HG3 PRO 39 HG1 PRO 39 -2.857 -2.514 8.146 317 HD2 PRO 39 HD2 PRO 39 -1.202 -3.693 10.333 318 HD3 PRO 39 HD1 PRO 39 -2.433 -4.455 9.305 319 H GLU 40 HN GLU 40 1.301 -3.709 9.764 320 HA GLU 40 HA GLU 40 3.531 -1.932 9.516 321 HB2 GLU 40 HB2 GLU 40 4.425 -3.243 11.473 322 HB3 GLU 40 HB1 GLU 40 2.857 -2.488 11.721 323 HG2 GLU 40 HG2 GLU 40 1.748 -4.612 11.347 324 HG3 GLU 40 HG1 GLU 40 3.303 -5.385 11.035 325 H ASP 41 HN ASP 41 2.822 -4.836 8.008 326 HA ASP 41 HA ASP 41 5.663 -5.529 7.697 327 HB2 ASP 41 HB2 ASP 41 3.141 -7.124 7.528 328 HB3 ASP 41 HB1 ASP 41 4.559 -7.664 6.634 329 H ILE 42 HN ILE 42 2.821 -4.491 5.980 330 HA ILE 42 HA ILE 42 4.074 -4.898 3.387 331 HB ILE 42 HB ILE 42 1.528 -3.383 3.627 332 HG12 ILE 42 HG12 ILE 42 1.583 -6.392 3.881 333 HG13 ILE 42 HG11 ILE 42 1.400 -5.321 5.262 334 HG21 ILE 42 HG21 ILE 42 2.509 -5.539 1.763 335 HG22 ILE 42 HG22 ILE 42 2.530 -3.803 1.454 336 HG23 ILE 42 HG23 ILE 42 0.991 -4.651 1.602 337 HD11 ILE 42 HD11 ILE 42 -0.482 -5.665 2.946 338 HD12 ILE 42 HD12 ILE 42 -0.626 -4.370 4.137 339 HD13 ILE 42 HD13 ILE 42 -0.762 -6.053 4.645 340 H LYS 43 HN LYS 43 5.035 -3.364 2.216 341 HA LYS 43 HA LYS 43 4.817 -0.582 3.146 342 HB2 LYS 43 HB2 LYS 43 7.092 -2.080 3.307 343 HB3 LYS 43 HB1 LYS 43 7.295 -1.310 1.740 344 HG2 LYS 43 HG2 LYS 43 7.107 0.868 2.714 345 HG3 LYS 43 HG1 LYS 43 6.700 0.176 4.285 346 HD2 LYS 43 HD2 LYS 43 8.952 -0.989 4.191 347 HD3 LYS 43 HD1 LYS 43 9.327 0.061 2.825 348 HE2 LYS 43 HE2 LYS 43 8.964 2.024 4.214 349 HE3 LYS 43 HE1 LYS 43 8.522 0.994 5.577 350 HZ1 LYS 43 HZ1 LYS 43 11.177 1.038 4.244 351 HZ2 LYS 43 HZ2 LYS 43 10.752 0.081 5.572 352 HZ3 LYS 43 HZ3 LYS 43 10.813 1.764 5.729 353 H LEU 44 HN LEU 44 4.403 0.926 1.645 354 HA LEU 44 HA LEU 44 3.882 -0.007 -1.065 355 HB2 LEU 44 HB2 LEU 44 3.243 2.587 0.339 356 HB3 LEU 44 HB1 LEU 44 2.861 2.270 -1.343 357 HG LEU 44 HG LEU 44 1.856 0.358 0.711 358 HD11 LEU 44 HD11 LEU 44 1.325 2.525 1.678 359 HD12 LEU 44 HD12 LEU 44 -0.131 1.734 1.075 360 HD13 LEU 44 HD13 LEU 44 0.609 3.044 0.152 361 HD21 LEU 44 HD21 LEU 44 -0.012 0.198 -0.856 362 HD22 LEU 44 HD22 LEU 44 1.527 -0.093 -1.667 363 HD23 LEU 44 HD23 LEU 44 0.711 1.460 -1.853 364 H THR 45 HN THR 45 5.069 0.537 -2.798 365 HA THR 45 HA THR 45 7.206 2.525 -2.414 366 HB THR 45 HB THR 45 7.648 0.233 -4.270 367 HG1 THR 45 HG1 THR 45 7.070 -0.854 -2.399 368 HG21 THR 45 HG21 THR 45 9.260 2.072 -4.176 369 HG22 THR 45 HG22 THR 45 9.978 0.573 -3.584 370 HG23 THR 45 HG23 THR 45 9.460 1.814 -2.442 371 H HIS 46 HN HIS 46 7.211 4.117 -3.827 372 HA HIS 46 HA HIS 46 6.070 3.698 -6.496 373 HB2 HIS 46 HB2 HIS 46 4.682 5.043 -4.556 374 HB3 HIS 46 HB1 HIS 46 5.549 6.356 -5.346 375 HD1 HIS 46 HD1 HIS 46 5.213 6.368 -8.085 376 HD2 HIS 46 HD2 HIS 46 2.388 4.350 -5.801 377 HE1 HIS 46 HE1 HIS 46 3.205 6.108 -9.576 378 HE2 HIS 46 HE2 HIS 46 1.508 4.879 -8.177 379 H ASN 47 HN ASN 47 7.458 4.285 -8.005 380 HA ASN 47 HA ASN 47 9.155 5.281 -9.133 381 HB2 ASN 47 HB2 ASN 47 8.652 7.490 -7.130 382 HB3 ASN 47 HB1 ASN 47 9.759 7.640 -8.490 383 HD21 ASN 47 HD21 ASN 47 6.601 7.973 -7.430 384 HD22 ASN 47 HD22 ASN 47 5.842 8.217 -8.963 385 H GLY 48 HN GLY 48 9.655 3.579 -6.732 386 HA2 GLY 48 HA2 GLY 48 11.716 2.667 -6.054 387 HA3 GLY 48 HA1 GLY 48 12.505 4.159 -6.538 388 H LYS 49 HN LYS 49 10.172 5.491 -4.909 389 HA LYS 49 HA LYS 49 11.658 5.422 -2.381 390 HB2 LYS 49 HB2 LYS 49 9.749 7.423 -3.574 391 HB3 LYS 49 HB1 LYS 49 10.241 7.497 -1.888 392 HG2 LYS 49 HG2 LYS 49 12.574 7.707 -2.571 393 HG3 LYS 49 HG1 LYS 49 12.084 7.632 -4.265 394 HD2 LYS 49 HD2 LYS 49 10.763 9.674 -3.970 395 HD3 LYS 49 HD1 LYS 49 11.251 9.743 -2.276 396 HE2 LYS 49 HE2 LYS 49 12.683 11.236 -3.394 397 HE3 LYS 49 HE1 LYS 49 13.646 9.784 -3.123 398 HZ1 LYS 49 HZ1 LYS 49 13.928 10.651 -5.365 399 HZ2 LYS 49 HZ2 LYS 49 12.271 10.486 -5.663 400 HZ3 LYS 49 HZ3 LYS 49 13.223 9.113 -5.399 401 H THR 50 HN THR 50 10.623 5.172 -0.394 402 HA THR 50 HA THR 50 8.154 3.617 -0.554 403 HB THR 50 HB THR 50 8.719 3.157 1.925 404 HG1 THR 50 HG1 THR 50 11.304 3.958 1.034 405 HG21 THR 50 HG21 THR 50 8.950 1.459 0.212 406 HG22 THR 50 HG22 THR 50 10.352 1.401 1.282 407 HG23 THR 50 HG23 THR 50 10.487 2.149 -0.309 408 H LEU 51 HN LEU 51 6.442 3.964 0.937 409 HA LEU 51 HA LEU 51 6.140 6.798 1.650 410 HB2 LEU 51 HB2 LEU 51 4.145 4.629 1.048 411 HB3 LEU 51 HB1 LEU 51 3.678 6.156 1.767 412 HG LEU 51 HG LEU 51 4.987 7.118 -0.347 413 HD11 LEU 51 HD11 LEU 51 5.643 4.927 -1.195 414 HD12 LEU 51 HD12 LEU 51 4.554 5.741 -2.317 415 HD13 LEU 51 HD13 LEU 51 3.947 4.446 -1.284 416 HD21 LEU 51 HD21 LEU 51 2.755 7.739 0.113 417 HD22 LEU 51 HD22 LEU 51 2.160 6.108 -0.199 418 HD23 LEU 51 HD23 LEU 51 2.760 7.098 -1.529 419 H ASP 52 HN ASP 52 5.746 7.433 3.703 420 HA ASP 52 HA ASP 52 5.961 5.392 5.765 421 HB2 ASP 52 HB2 ASP 52 6.719 8.191 5.516 422 HB3 ASP 52 HB1 ASP 52 5.899 7.852 7.038 423 HA PRO 53 HA PRO 53 1.640 5.442 6.757 424 HB2 PRO 53 HB2 PRO 53 2.390 4.838 9.533 425 HB3 PRO 53 HB1 PRO 53 1.494 3.850 8.372 426 HG2 PRO 53 HG2 PRO 53 3.993 3.227 9.122 427 HG3 PRO 53 HG1 PRO 53 3.382 2.905 7.487 428 HD2 PRO 53 HD2 PRO 53 5.178 5.089 8.433 429 HD3 PRO 53 HD1 PRO 53 5.233 4.144 6.932 430 H SER 54 HN SER 54 3.923 7.358 8.560 431 HA SER 54 HA SER 54 2.001 8.709 10.190 432 HB2 SER 54 HB2 SER 54 4.860 9.422 9.515 433 HB3 SER 54 HB1 SER 54 3.891 10.198 10.767 434 HG SER 54 HG SER 54 3.865 8.299 11.906 435 H LEU 55 HN LEU 55 3.234 9.216 6.966 436 HA LEU 55 HA LEU 55 2.331 11.950 6.897 437 HB2 LEU 55 HB2 LEU 55 3.789 10.124 5.046 438 HB3 LEU 55 HB1 LEU 55 3.119 11.613 4.479 439 HG LEU 55 HG LEU 55 4.940 11.629 6.843 440 HD11 LEU 55 HD11 LEU 55 5.825 11.674 3.963 441 HD12 LEU 55 HD12 LEU 55 6.124 10.374 5.117 442 HD13 LEU 55 HD13 LEU 55 6.849 11.963 5.369 443 HD21 LEU 55 HD21 LEU 55 5.456 13.882 6.012 444 HD22 LEU 55 HD22 LEU 55 3.735 13.671 6.335 445 HD23 LEU 55 HD23 LEU 55 4.332 13.632 4.677 446 H THR 56 HN THR 56 1.371 12.323 4.476 447 HA THR 56 HA THR 56 -1.090 10.702 4.398 448 HB THR 56 HB THR 56 -2.245 12.687 3.481 449 HG1 THR 56 HG1 THR 56 -0.389 14.516 4.288 450 HG21 THR 56 HG21 THR 56 -2.173 14.071 5.589 451 HG22 THR 56 HG22 THR 56 -0.888 13.001 6.154 452 HG23 THR 56 HG23 THR 56 -2.496 12.353 5.823 453 H LEU 57 HN LEU 57 -2.182 10.680 2.256 454 HA LEU 57 HA LEU 57 -0.347 9.818 0.247 455 HB2 LEU 57 HB2 LEU 57 -3.338 10.163 0.261 456 HB3 LEU 57 HB1 LEU 57 -2.453 9.521 -1.110 457 HG LEU 57 HG LEU 57 -2.144 8.238 1.580 458 HD11 LEU 57 HD11 LEU 57 -4.004 6.737 1.059 459 HD12 LEU 57 HD12 LEU 57 -4.400 7.722 -0.349 460 HD13 LEU 57 HD13 LEU 57 -4.545 8.402 1.271 461 HD21 LEU 57 HD21 LEU 57 -0.661 7.560 -0.236 462 HD22 LEU 57 HD22 LEU 57 -2.058 7.181 -1.242 463 HD23 LEU 57 HD23 LEU 57 -1.749 6.250 0.222 464 H ALA 58 HN ALA 58 -2.156 12.748 0.823 465 HA ALA 58 HA ALA 58 -1.750 13.780 -1.837 466 HB1 ALA 58 HB1 ALA 58 -2.776 15.174 0.626 467 HB2 ALA 58 HB2 ALA 58 -3.766 14.333 -0.567 468 HB3 ALA 58 HB3 ALA 58 -2.866 15.781 -1.027 469 H GLU 59 HN GLU 59 0.222 13.545 0.868 470 HA GLU 59 HA GLU 59 1.612 16.062 0.518 471 HB2 GLU 59 HB2 GLU 59 1.323 14.426 2.660 472 HB3 GLU 59 HB1 GLU 59 2.897 13.903 2.077 473 HG2 GLU 59 HG2 GLU 59 2.370 16.816 2.413 474 HG3 GLU 59 HG1 GLU 59 2.679 15.826 3.836 475 H TYR 60 HN TYR 60 1.933 12.737 -0.448 476 HA TYR 60 HA TYR 60 4.619 13.023 -1.425 477 HB2 TYR 60 HB2 TYR 60 2.601 10.851 -1.246 478 HB3 TYR 60 HB1 TYR 60 3.873 10.689 -2.445 479 HD1 TYR 60 HD2 TYR 60 6.235 10.531 -1.731 480 HD2 TYR 60 HD1 TYR 60 3.057 10.638 1.094 481 HE1 TYR 60 HE2 TYR 60 7.763 9.702 0.012 482 HE2 TYR 60 HE1 TYR 60 4.573 9.810 2.842 483 HH TYR 60 HH TYR 60 7.917 9.759 2.512 484 H GLY 61 HN GLY 61 1.455 13.559 -2.661 485 HA2 GLY 61 HA2 GLY 61 0.917 14.598 -4.678 486 HA3 GLY 61 HA1 GLY 61 2.572 14.352 -5.217 487 H ILE 62 HN ILE 62 0.134 12.015 -4.090 488 HA ILE 62 HA ILE 62 0.609 10.471 -6.535 489 HB ILE 62 HB ILE 62 -1.022 9.510 -4.207 490 HG12 ILE 62 HG12 ILE 62 1.836 8.737 -4.339 491 HG13 ILE 62 HG11 ILE 62 1.497 10.375 -3.786 492 HG21 ILE 62 HG21 ILE 62 -0.305 7.313 -4.990 493 HG22 ILE 62 HG22 ILE 62 0.653 8.073 -6.261 494 HG23 ILE 62 HG23 ILE 62 -1.104 8.217 -6.277 495 HD11 ILE 62 HD11 ILE 62 0.461 7.820 -2.591 496 HD12 ILE 62 HD12 ILE 62 -0.010 9.440 -2.074 497 HD13 ILE 62 HD13 ILE 62 1.661 8.909 -1.899 498 H THR 63 HN THR 63 -0.972 9.918 -7.952 499 HA THR 63 HA THR 63 -3.640 11.075 -7.506 500 HB THR 63 HB THR 63 -3.733 11.294 -10.053 501 HG1 THR 63 HG1 THR 63 -1.834 11.221 -11.152 502 HG21 THR 63 HG21 THR 63 -3.527 13.226 -8.570 503 HG22 THR 63 HG22 THR 63 -2.569 13.453 -10.033 504 HG23 THR 63 HG23 THR 63 -1.777 13.011 -8.520 505 HA PRO 64 HA PRO 64 -5.311 7.067 -8.353 506 HB2 PRO 64 HB2 PRO 64 -7.559 8.233 -9.810 507 HB3 PRO 64 HB1 PRO 64 -7.547 7.437 -8.233 508 HG2 PRO 64 HG2 PRO 64 -7.981 10.082 -8.502 509 HG3 PRO 64 HG1 PRO 64 -7.180 9.379 -7.084 510 HD2 PRO 64 HD2 PRO 64 -5.976 10.778 -9.432 511 HD3 PRO 64 HD1 PRO 64 -5.551 10.884 -7.711 512 H GLY 65 HN GLY 65 -5.285 5.506 -9.926 513 HA2 GLY 65 HA2 GLY 65 -5.509 4.721 -12.157 514 HA3 GLY 65 HA1 GLY 65 -5.250 6.359 -12.732 515 H SER 66 HN SER 66 -3.079 5.510 -10.295 516 HA SER 66 HA SER 66 -0.958 5.166 -12.285 517 HB2 SER 66 HB2 SER 66 -0.829 5.901 -9.349 518 HB3 SER 66 HB1 SER 66 0.584 5.696 -10.384 519 HG SER 66 HG SER 66 -0.736 7.887 -10.036 520 H THR 67 HN THR 67 0.844 3.687 -11.675 521 HA THR 67 HA THR 67 -0.265 1.143 -10.755 522 HB THR 67 HB THR 67 1.956 0.241 -11.652 523 HG1 THR 67 HG1 THR 67 3.294 1.614 -12.592 524 HG21 THR 67 HG21 THR 67 0.115 1.650 -13.590 525 HG22 THR 67 HG22 THR 67 -0.169 0.061 -12.877 526 HG23 THR 67 HG23 THR 67 1.193 0.307 -13.971 527 H ILE 68 HN ILE 68 0.203 0.338 -8.795 528 HA ILE 68 HA ILE 68 2.591 1.368 -7.397 529 HB ILE 68 HB ILE 68 0.024 0.604 -6.009 530 HG12 ILE 68 HG12 ILE 68 0.345 3.326 -5.671 531 HG13 ILE 68 HG11 ILE 68 0.777 3.086 -7.361 532 HG21 ILE 68 HG21 ILE 68 1.038 1.825 -4.111 533 HG22 ILE 68 HG22 ILE 68 2.506 2.031 -5.066 534 HG23 ILE 68 HG23 ILE 68 1.976 0.415 -4.602 535 HD11 ILE 68 HD11 ILE 68 -1.795 2.181 -6.086 536 HD12 ILE 68 HD12 ILE 68 -1.366 2.056 -7.791 537 HD13 ILE 68 HD13 ILE 68 -1.588 3.643 -7.054 538 H THR 69 HN THR 69 3.869 -0.077 -6.366 539 HA THR 69 HA THR 69 3.040 -2.905 -6.433 540 HB THR 69 HB THR 69 5.939 -2.171 -6.445 541 HG1 THR 69 HG1 THR 69 4.115 -1.743 -8.518 542 HG21 THR 69 HG21 THR 69 5.255 -4.514 -6.202 543 HG22 THR 69 HG22 THR 69 6.110 -4.258 -7.723 544 HG23 THR 69 HG23 THR 69 4.355 -4.410 -7.716 545 H LEU 70 HN LEU 70 3.081 -3.982 -4.562 546 HA LEU 70 HA LEU 70 4.162 -2.591 -2.211 547 HB2 LEU 70 HB2 LEU 70 2.661 -3.921 -0.872 548 HB3 LEU 70 HB1 LEU 70 1.765 -3.140 -2.161 549 HG LEU 70 HG LEU 70 2.400 -5.586 -3.262 550 HD11 LEU 70 HD11 LEU 70 3.220 -6.425 -1.136 551 HD12 LEU 70 HD12 LEU 70 1.731 -7.247 -1.601 552 HD13 LEU 70 HD13 LEU 70 1.695 -5.993 -0.361 553 HD21 LEU 70 HD21 LEU 70 0.282 -4.739 -3.638 554 HD22 LEU 70 HD22 LEU 70 -0.026 -4.466 -1.924 555 HD23 LEU 70 HD23 LEU 70 -0.039 -6.105 -2.571 556 H GLU 71 HN GLU 71 5.126 -3.932 -0.505 557 HA GLU 71 HA GLU 71 6.301 -6.450 -1.405 558 HB2 GLU 71 HB2 GLU 71 8.549 -5.688 -0.539 559 HB3 GLU 71 HB1 GLU 71 8.023 -4.941 -2.039 560 HG2 GLU 71 HG2 GLU 71 7.374 -2.934 -0.852 561 HG3 GLU 71 HG1 GLU 71 7.788 -3.685 0.688 562 H ILE 72 HN ILE 72 6.931 -7.842 0.267 563 HA ILE 72 HA ILE 72 6.223 -6.998 3.000 564 HB ILE 72 HB ILE 72 5.659 -9.785 2.004 565 HG12 ILE 72 HG12 ILE 72 3.182 -8.626 2.210 566 HG13 ILE 72 HG11 ILE 72 4.131 -7.329 1.489 567 HG21 ILE 72 HG21 ILE 72 4.135 -9.848 3.921 568 HG22 ILE 72 HG22 ILE 72 4.588 -8.193 4.330 569 HG23 ILE 72 HG23 ILE 72 5.787 -9.484 4.415 570 HD11 ILE 72 HD11 ILE 72 3.938 -10.128 0.404 571 HD12 ILE 72 HD12 ILE 72 4.764 -8.760 -0.340 572 HD13 ILE 72 HD13 ILE 72 3.009 -8.746 -0.174 573 H LYS 73 HN LYS 73 7.464 -7.900 4.655 574 HA LYS 73 HA LYS 73 9.933 -9.196 3.740 575 HB2 LYS 73 HB2 LYS 73 10.783 -8.538 6.043 576 HB3 LYS 73 HB1 LYS 73 10.463 -7.220 4.925 577 HG2 LYS 73 HG2 LYS 73 8.316 -6.812 6.034 578 HG3 LYS 73 HG1 LYS 73 8.660 -8.122 7.163 579 HD2 LYS 73 HD2 LYS 73 10.648 -6.918 7.942 580 HD3 LYS 73 HD1 LYS 73 10.287 -5.606 6.819 581 HE2 LYS 73 HE2 LYS 73 9.445 -4.887 8.893 582 HE3 LYS 73 HE1 LYS 73 8.037 -5.431 7.982 583 HZ1 LYS 73 HZ1 LYS 73 8.017 -6.212 10.286 584 HZ2 LYS 73 HZ2 LYS 73 9.465 -7.045 10.027 585 HZ3 LYS 73 HZ3 LYS 73 8.066 -7.504 9.193 586 H LYS 74 HN LYS 74 10.369 -11.240 4.252 587 HA LYS 74 HA LYS 74 8.643 -12.556 6.245 588 HB2 LYS 74 HB2 LYS 74 9.840 -13.587 3.681 589 HB3 LYS 74 HB1 LYS 74 9.277 -14.676 4.940 590 HG2 LYS 74 HG2 LYS 74 7.035 -13.721 4.769 591 HG3 LYS 74 HG1 LYS 74 7.600 -12.625 3.506 592 HD2 LYS 74 HD2 LYS 74 8.180 -14.553 2.104 593 HD3 LYS 74 HD1 LYS 74 7.600 -15.639 3.367 594 HE2 LYS 74 HE2 LYS 74 5.356 -14.679 3.157 595 HE3 LYS 74 HE1 LYS 74 5.940 -13.597 1.892 596 HZ1 LYS 74 HZ1 LYS 74 4.831 -15.529 0.962 597 HZ2 LYS 74 HZ2 LYS 74 5.910 -16.564 1.751 598 HZ3 LYS 74 HZ3 LYS 74 6.469 -15.527 0.536 599 H LYS 75 HN LYS 75 9.585 -14.091 7.641 600 HA LYS 75 HA LYS 75 12.526 -14.056 7.739 601 HB2 LYS 75 HB2 LYS 75 10.573 -13.602 9.984 602 HB3 LYS 75 HB1 LYS 75 12.216 -14.148 10.290 603 HG2 LYS 75 HG2 LYS 75 13.087 -12.146 9.195 604 HG3 LYS 75 HG1 LYS 75 11.439 -11.599 8.883 605 HD2 LYS 75 HD2 LYS 75 11.017 -11.540 11.304 606 HD3 LYS 75 HD1 LYS 75 12.679 -12.059 11.598 607 HE2 LYS 75 HE2 LYS 75 13.499 -10.029 10.494 608 HE3 LYS 75 HE1 LYS 75 11.836 -9.511 10.217 609 HZ1 LYS 75 HZ1 LYS 75 12.787 -8.436 12.160 610 HZ2 LYS 75 HZ2 LYS 75 13.093 -9.937 12.876 611 HZ3 LYS 75 HZ3 LYS 75 11.500 -9.440 12.610 612 H GLY 76 HN GLY 76 13.495 -15.982 8.084 613 HA2 GLY 76 HA2 GLY 76 11.715 -18.306 8.378 614 HA3 GLY 76 HA1 GLY 76 13.308 -18.338 7.639 615 H GLY 77 HN GLY 77 15.126 -17.689 9.185 616 HA2 GLY 77 HA2 GLY 77 14.582 -18.485 11.945 617 HA3 GLY 77 HA1 GLY 77 15.712 -19.472 11.028 618 H LEU 78 HN LEU 78 17.572 -19.057 12.048 619 HA LEU 78 HA LEU 78 18.353 -16.275 12.528 620 HB2 LEU 78 HB2 LEU 78 19.296 -18.928 13.558 621 HB3 LEU 78 HB1 LEU 78 20.338 -17.526 13.672 622 HG LEU 78 HG LEU 78 19.261 -17.721 15.766 623 HD11 LEU 78 HD11 LEU 78 18.151 -15.659 16.009 624 HD12 LEU 78 HD12 LEU 78 17.600 -15.671 14.334 625 HD13 LEU 78 HD13 LEU 78 19.311 -15.439 14.700 626 HD21 LEU 78 HD21 LEU 78 16.849 -17.907 16.048 627 HD22 LEU 78 HD22 LEU 78 17.477 -19.250 15.093 628 HD23 LEU 78 HD23 LEU 78 16.635 -17.918 14.297 629 H GLU 79 HN GLU 79 19.553 -19.250 11.016 630 HA GLU 79 HA GLU 79 21.288 -17.595 9.307 631 HB2 GLU 79 HB2 GLU 79 21.841 -20.264 10.592 632 HB3 GLU 79 HB1 GLU 79 22.748 -19.705 9.194 633 HG2 GLU 79 HG2 GLU 79 23.486 -17.747 10.438 634 HG3 GLU 79 HG1 GLU 79 22.551 -18.276 11.835 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -10.157 10.291 -12.581 2 H2 MET 1 HT2 MET 1 -9.512 10.697 -11.069 3 H3 MET 1 HT3 MET 1 -11.188 10.624 -11.278 4 HA MET 1 HA MET 1 -11.082 8.264 -11.681 5 HB2 MET 1 HB2 MET 1 -8.132 8.745 -11.284 6 HB3 MET 1 HB1 MET 1 -8.851 7.152 -11.098 7 HG2 MET 1 HG2 MET 1 -8.972 8.823 -13.600 8 HG3 MET 1 HG1 MET 1 -7.840 7.504 -13.311 9 HE1 MET 1 HE1 MET 1 -10.293 6.013 -15.990 10 HE2 MET 1 HE2 MET 1 -8.608 6.340 -15.589 11 HE3 MET 1 HE3 MET 1 -9.721 7.678 -15.873 12 H ASP 2 HN ASP 2 -11.171 6.748 -9.941 13 HA ASP 2 HA ASP 2 -10.669 7.864 -7.273 14 HB2 ASP 2 HB2 ASP 2 -13.264 6.711 -8.295 15 HB3 ASP 2 HB1 ASP 2 -12.898 6.831 -6.576 16 H THR 3 HN THR 3 -10.307 5.343 -9.413 17 HA THR 3 HA THR 3 -9.947 3.379 -7.250 18 HB THR 3 HB THR 3 -10.013 1.672 -9.158 19 HG1 THR 3 HG1 THR 3 -11.232 2.466 -11.000 20 HG21 THR 3 HG21 THR 3 -12.507 3.259 -8.536 21 HG22 THR 3 HG22 THR 3 -11.844 1.949 -7.561 22 HG23 THR 3 HG23 THR 3 -12.466 1.617 -9.179 23 H ILE 4 HN ILE 4 -8.090 2.087 -7.246 24 HA ILE 4 HA ILE 4 -5.903 2.960 -9.012 25 HB ILE 4 HB ILE 4 -4.366 2.584 -7.009 26 HG12 ILE 4 HG12 ILE 4 -6.659 3.327 -5.261 27 HG13 ILE 4 HG11 ILE 4 -6.528 1.636 -5.739 28 HG21 ILE 4 HG21 ILE 4 -6.269 4.919 -7.052 29 HG22 ILE 4 HG22 ILE 4 -4.736 4.778 -7.914 30 HG23 ILE 4 HG23 ILE 4 -4.752 4.875 -6.154 31 HD11 ILE 4 HD11 ILE 4 -4.299 1.524 -4.791 32 HD12 ILE 4 HD12 ILE 4 -5.464 2.074 -3.588 33 HD13 ILE 4 HD13 ILE 4 -4.381 3.233 -4.359 34 H ASN 5 HN ASN 5 -4.149 1.396 -9.197 35 HA ASN 5 HA ASN 5 -5.127 -1.350 -8.827 36 HB2 ASN 5 HB2 ASN 5 -4.725 -1.574 -11.027 37 HB3 ASN 5 HB1 ASN 5 -3.968 0.006 -11.104 38 HD21 ASN 5 HD21 ASN 5 -1.851 0.138 -11.327 39 HD22 ASN 5 HD22 ASN 5 -0.782 -1.214 -11.359 40 H ILE 6 HN ILE 6 -4.035 -2.672 -7.563 41 HA ILE 6 HA ILE 6 -1.348 -1.862 -6.673 42 HB ILE 6 HB ILE 6 -3.126 -3.569 -4.960 43 HG12 ILE 6 HG12 ILE 6 -3.364 -1.063 -3.852 44 HG13 ILE 6 HG11 ILE 6 -3.495 -0.717 -5.574 45 HG21 ILE 6 HG21 ILE 6 -1.657 -3.089 -3.276 46 HG22 ILE 6 HG22 ILE 6 -1.236 -1.512 -3.947 47 HG23 ILE 6 HG23 ILE 6 -0.571 -2.980 -4.662 48 HD11 ILE 6 HD11 ILE 6 -5.185 -2.702 -4.070 49 HD12 ILE 6 HD12 ILE 6 -5.351 -2.253 -5.768 50 HD13 ILE 6 HD13 ILE 6 -5.671 -1.063 -4.507 51 H THR 7 HN THR 7 0.107 -3.152 -7.553 52 HA THR 7 HA THR 7 -0.620 -5.815 -8.445 53 HB THR 7 HB THR 7 2.184 -4.850 -8.663 54 HG1 THR 7 HG1 THR 7 -0.052 -3.557 -9.711 55 HG21 THR 7 HG21 THR 7 0.285 -6.222 -10.568 56 HG22 THR 7 HG22 THR 7 1.511 -7.018 -9.584 57 HG23 THR 7 HG23 THR 7 1.994 -5.910 -10.868 58 H LEU 8 HN LEU 8 -0.080 -7.680 -7.518 59 HA LEU 8 HA LEU 8 1.377 -7.604 -4.998 60 HB2 LEU 8 HB2 LEU 8 -0.857 -9.005 -6.084 61 HB3 LEU 8 HB1 LEU 8 0.373 -10.164 -5.695 62 HG LEU 8 HG LEU 8 0.332 -8.656 -3.417 63 HD11 LEU 8 HD11 LEU 8 -1.890 -8.145 -2.810 64 HD12 LEU 8 HD12 LEU 8 -2.546 -8.945 -4.239 65 HD13 LEU 8 HD13 LEU 8 -1.645 -7.439 -4.408 66 HD21 LEU 8 HD21 LEU 8 0.347 -11.081 -3.513 67 HD22 LEU 8 HD22 LEU 8 -1.330 -11.089 -4.060 68 HD23 LEU 8 HD23 LEU 8 -0.933 -10.517 -2.438 69 HA PRO 9 HA PRO 9 4.907 -9.709 -6.723 70 HB2 PRO 9 HB2 PRO 9 5.639 -11.437 -4.778 71 HB3 PRO 9 HB1 PRO 9 5.821 -9.684 -4.595 72 HG2 PRO 9 HG2 PRO 9 3.665 -11.464 -3.535 73 HG3 PRO 9 HG1 PRO 9 4.532 -10.144 -2.725 74 HD2 PRO 9 HD2 PRO 9 2.061 -9.820 -3.770 75 HD3 PRO 9 HD1 PRO 9 3.256 -8.511 -3.711 76 H ASP 10 HN ASP 10 1.991 -11.266 -6.287 77 HA ASP 10 HA ASP 10 2.909 -13.899 -7.138 78 HB2 ASP 10 HB2 ASP 10 0.210 -12.797 -6.368 79 HB3 ASP 10 HB1 ASP 10 0.409 -14.413 -7.038 80 H GLY 11 HN GLY 11 1.884 -10.983 -8.520 81 HA2 GLY 11 HA2 GLY 11 2.078 -10.625 -10.871 82 HA3 GLY 11 HA1 GLY 11 1.649 -12.308 -11.132 83 H LYS 12 HN LYS 12 -0.395 -11.037 -8.814 84 HA LYS 12 HA LYS 12 -2.450 -10.552 -10.861 85 HB2 LYS 12 HB2 LYS 12 -4.079 -11.042 -8.995 86 HB3 LYS 12 HB1 LYS 12 -3.095 -12.400 -9.519 87 HG2 LYS 12 HG2 LYS 12 -1.616 -12.058 -7.590 88 HG3 LYS 12 HG1 LYS 12 -2.645 -10.725 -7.055 89 HD2 LYS 12 HD2 LYS 12 -4.548 -12.301 -6.925 90 HD3 LYS 12 HD1 LYS 12 -3.457 -13.615 -7.365 91 HE2 LYS 12 HE2 LYS 12 -3.574 -13.741 -5.041 92 HE3 LYS 12 HE1 LYS 12 -2.067 -12.877 -5.343 93 HZ1 LYS 12 HZ1 LYS 12 -3.221 -10.795 -4.907 94 HZ2 LYS 12 HZ2 LYS 12 -3.347 -11.836 -3.581 95 HZ3 LYS 12 HZ3 LYS 12 -4.665 -11.629 -4.620 96 H THR 13 HN THR 13 -3.860 -8.814 -10.675 97 HA THR 13 HA THR 13 -2.792 -6.586 -9.094 98 HB THR 13 HB THR 13 -4.198 -5.163 -10.646 99 HG1 THR 13 HG1 THR 13 -4.491 -7.704 -11.899 100 HG21 THR 13 HG21 THR 13 -2.611 -5.375 -12.530 101 HG22 THR 13 HG22 THR 13 -2.030 -6.893 -11.845 102 HG23 THR 13 HG23 THR 13 -1.801 -5.383 -10.965 103 H LEU 14 HN LEU 14 -4.268 -5.091 -8.103 104 HA LEU 14 HA LEU 14 -6.907 -6.201 -7.439 105 HB2 LEU 14 HB2 LEU 14 -4.920 -6.442 -5.691 106 HB3 LEU 14 HB1 LEU 14 -5.346 -4.781 -5.332 107 HG LEU 14 HG LEU 14 -7.587 -6.717 -5.368 108 HD11 LEU 14 HD11 LEU 14 -5.896 -8.056 -4.270 109 HD12 LEU 14 HD12 LEU 14 -7.072 -7.483 -3.087 110 HD13 LEU 14 HD13 LEU 14 -5.490 -6.711 -3.203 111 HD21 LEU 14 HD21 LEU 14 -6.773 -4.515 -3.470 112 HD22 LEU 14 HD22 LEU 14 -8.308 -5.384 -3.465 113 HD23 LEU 14 HD23 LEU 14 -7.888 -4.341 -4.824 114 H THR 15 HN THR 15 -8.498 -4.654 -6.918 115 HA THR 15 HA THR 15 -7.782 -1.874 -7.582 116 HB THR 15 HB THR 15 -10.578 -2.844 -7.953 117 HG1 THR 15 HG1 THR 15 -10.107 -3.929 -9.752 118 HG21 THR 15 HG21 THR 15 -10.062 -0.479 -8.250 119 HG22 THR 15 HG22 THR 15 -10.528 -1.207 -9.787 120 HG23 THR 15 HG23 THR 15 -8.829 -0.886 -9.443 121 H LEU 16 HN LEU 16 -8.206 -0.378 -6.071 122 HA LEU 16 HA LEU 16 -10.142 -1.041 -3.955 123 HB2 LEU 16 HB2 LEU 16 -7.718 -1.294 -3.264 124 HB3 LEU 16 HB1 LEU 16 -7.565 0.440 -3.464 125 HG LEU 16 HG LEU 16 -9.593 0.513 -1.791 126 HD11 LEU 16 HD11 LEU 16 -8.308 -2.114 -1.064 127 HD12 LEU 16 HD12 LEU 16 -9.906 -1.937 -1.789 128 HD13 LEU 16 HD13 LEU 16 -9.588 -1.281 -0.182 129 HD21 LEU 16 HD21 LEU 16 -6.780 -0.138 -0.922 130 HD22 LEU 16 HD22 LEU 16 -8.010 0.664 0.058 131 HD23 LEU 16 HD23 LEU 16 -7.377 1.456 -1.385 132 H THR 17 HN THR 17 -11.203 0.731 -2.970 133 HA THR 17 HA THR 17 -11.359 3.086 -4.710 134 HB THR 17 HB THR 17 -13.334 2.602 -2.520 135 HG1 THR 17 HG1 THR 17 -13.521 1.296 -5.041 136 HG21 THR 17 HG21 THR 17 -14.877 3.565 -4.160 137 HG22 THR 17 HG22 THR 17 -13.582 3.616 -5.355 138 HG23 THR 17 HG23 THR 17 -13.486 4.618 -3.909 139 H VAL 18 HN VAL 18 -10.007 4.652 -4.056 140 HA VAL 18 HA VAL 18 -10.258 5.636 -1.309 141 HB VAL 18 HB VAL 18 -7.687 6.067 -1.397 142 HG11 VAL 18 HG11 VAL 18 -8.771 4.680 0.280 143 HG12 VAL 18 HG12 VAL 18 -7.251 3.955 -0.244 144 HG13 VAL 18 HG13 VAL 18 -8.784 3.315 -0.838 145 HG21 VAL 18 HG21 VAL 18 -7.198 5.340 -3.600 146 HG22 VAL 18 HG22 VAL 18 -8.004 3.793 -3.341 147 HG23 VAL 18 HG23 VAL 18 -6.493 4.154 -2.505 148 H THR 19 HN THR 19 -8.904 7.774 -1.131 149 HA THR 19 HA THR 19 -8.928 9.243 -3.669 150 HB THR 19 HB THR 19 -10.031 11.202 -2.391 151 HG1 THR 19 HG1 THR 19 -11.464 10.505 -0.735 152 HG21 THR 19 HG21 THR 19 -12.293 10.425 -2.959 153 HG22 THR 19 HG22 THR 19 -11.674 8.783 -3.142 154 HG23 THR 19 HG23 THR 19 -11.133 10.056 -4.234 155 HA PRO 20 HA PRO 20 -5.274 11.216 -2.182 156 HB2 PRO 20 HB2 PRO 20 -5.764 13.874 -2.767 157 HB3 PRO 20 HB1 PRO 20 -5.191 12.675 -3.934 158 HG2 PRO 20 HG2 PRO 20 -7.952 13.700 -3.496 159 HG3 PRO 20 HG1 PRO 20 -7.129 13.284 -5.011 160 HD2 PRO 20 HD2 PRO 20 -8.944 11.655 -3.902 161 HD3 PRO 20 HD1 PRO 20 -7.533 11.030 -4.773 162 H GLU 21 HN GLU 21 -8.350 12.153 -0.939 163 HA GLU 21 HA GLU 21 -7.314 13.885 1.124 164 HB2 GLU 21 HB2 GLU 21 -9.696 13.821 -0.050 165 HB3 GLU 21 HB1 GLU 21 -10.054 12.730 1.281 166 HG2 GLU 21 HG2 GLU 21 -9.389 14.450 2.877 167 HG3 GLU 21 HG1 GLU 21 -9.011 15.542 1.544 168 H PHE 22 HN PHE 22 -7.480 10.557 0.699 169 HA PHE 22 HA PHE 22 -7.949 9.846 3.445 170 HB2 PHE 22 HB2 PHE 22 -7.601 8.488 0.857 171 HB3 PHE 22 HB1 PHE 22 -6.954 7.625 2.218 172 HD1 PHE 22 HD2 PHE 22 -8.529 7.300 4.248 173 HD2 PHE 22 HD1 PHE 22 -9.842 8.344 0.340 174 HE1 PHE 22 HE2 PHE 22 -10.793 6.510 4.802 175 HE2 PHE 22 HE1 PHE 22 -12.110 7.557 0.885 176 HZ PHE 22 HZ PHE 22 -12.586 6.638 3.119 177 H THR 23 HN THR 23 -6.332 8.602 4.676 178 HA THR 23 HA THR 23 -3.687 9.798 4.363 179 HB THR 23 HB THR 23 -3.253 8.696 6.612 180 HG1 THR 23 HG1 THR 23 -5.238 8.144 7.746 181 HG21 THR 23 HG21 THR 23 -4.574 10.374 7.859 182 HG22 THR 23 HG22 THR 23 -5.492 10.711 6.391 183 HG23 THR 23 HG23 THR 23 -3.764 11.061 6.451 184 H VAL 24 HN VAL 24 -1.772 8.349 4.847 185 HA VAL 24 HA VAL 24 -1.780 6.149 3.037 186 HB VAL 24 HB VAL 24 0.343 6.784 5.095 187 HG11 VAL 24 HG11 VAL 24 0.545 5.372 2.436 188 HG12 VAL 24 HG12 VAL 24 0.527 4.578 4.011 189 HG13 VAL 24 HG13 VAL 24 1.857 5.652 3.581 190 HG21 VAL 24 HG21 VAL 24 1.442 8.096 3.345 191 HG22 VAL 24 HG22 VAL 24 -0.130 8.770 3.771 192 HG23 VAL 24 HG23 VAL 24 0.058 7.839 2.285 193 H LYS 25 HN LYS 25 -2.136 6.500 6.489 194 HA LYS 25 HA LYS 25 -1.742 3.783 7.199 195 HB2 LYS 25 HB2 LYS 25 -1.873 6.005 8.643 196 HB3 LYS 25 HB1 LYS 25 -3.562 5.531 8.786 197 HG2 LYS 25 HG2 LYS 25 -2.905 3.389 9.716 198 HG3 LYS 25 HG1 LYS 25 -1.205 3.816 9.528 199 HD2 LYS 25 HD2 LYS 25 -1.478 5.662 11.091 200 HD3 LYS 25 HD1 LYS 25 -3.195 5.285 11.253 201 HE2 LYS 25 HE2 LYS 25 -2.195 4.297 13.129 202 HE3 LYS 25 HE1 LYS 25 -2.439 2.965 11.999 203 HZ1 LYS 25 HZ1 LYS 25 0.111 4.439 12.378 204 HZ2 LYS 25 HZ2 LYS 25 -0.133 3.127 11.341 205 HZ3 LYS 25 HZ3 LYS 25 -0.237 2.910 13.016 206 H GLU 26 HN GLU 26 -4.546 5.665 6.213 207 HA GLU 26 HA GLU 26 -6.489 3.675 6.811 208 HB2 GLU 26 HB2 GLU 26 -6.483 6.348 5.900 209 HB3 GLU 26 HB1 GLU 26 -7.346 5.408 4.692 210 HG2 GLU 26 HG2 GLU 26 -9.081 5.902 6.061 211 HG3 GLU 26 HG1 GLU 26 -8.535 4.422 6.845 212 H LEU 27 HN LEU 27 -4.887 4.679 3.780 213 HA LEU 27 HA LEU 27 -6.147 2.856 2.083 214 HB2 LEU 27 HB2 LEU 27 -4.670 4.827 1.484 215 HB3 LEU 27 HB1 LEU 27 -3.298 3.792 1.824 216 HG LEU 27 HG LEU 27 -5.286 2.731 -0.102 217 HD11 LEU 27 HD11 LEU 27 -3.477 5.049 -0.759 218 HD12 LEU 27 HD12 LEU 27 -5.241 5.021 -0.833 219 HD13 LEU 27 HD13 LEU 27 -4.292 4.037 -1.950 220 HD21 LEU 27 HD21 LEU 27 -3.248 1.990 -1.247 221 HD22 LEU 27 HD22 LEU 27 -3.276 1.479 0.439 222 HD23 LEU 27 HD23 LEU 27 -2.271 2.842 -0.050 223 H ALA 28 HN ALA 28 -3.277 2.494 4.119 224 HA ALA 28 HA ALA 28 -2.538 -0.071 3.135 225 HB1 ALA 28 HB1 ALA 28 -1.792 1.253 5.734 226 HB2 ALA 28 HB2 ALA 28 -0.942 1.444 4.201 227 HB3 ALA 28 HB3 ALA 28 -0.983 -0.129 5.001 228 H GLU 29 HN GLU 29 -4.589 0.994 5.820 229 HA GLU 29 HA GLU 29 -4.795 -1.613 6.978 230 HB2 GLU 29 HB2 GLU 29 -6.187 -0.664 8.576 231 HB3 GLU 29 HB1 GLU 29 -5.172 0.689 8.099 232 HG2 GLU 29 HG2 GLU 29 -7.001 1.391 6.541 233 HG3 GLU 29 HG1 GLU 29 -8.010 0.146 7.276 234 H GLU 30 HN GLU 30 -6.451 0.051 4.431 235 HA GLU 30 HA GLU 30 -8.813 -1.551 4.452 236 HB2 GLU 30 HB2 GLU 30 -7.665 0.588 2.806 237 HB3 GLU 30 HB1 GLU 30 -8.607 -0.581 1.894 238 HG2 GLU 30 HG2 GLU 30 -10.530 -0.183 3.312 239 HG3 GLU 30 HG1 GLU 30 -9.586 0.925 4.305 240 H ILE 31 HN ILE 31 -5.826 -1.571 2.509 241 HA ILE 31 HA ILE 31 -6.567 -3.796 0.912 242 HB ILE 31 HB ILE 31 -4.824 -2.127 0.264 243 HG12 ILE 31 HG12 ILE 31 -3.121 -4.055 -0.434 244 HG13 ILE 31 HG11 ILE 31 -4.433 -5.078 0.145 245 HG21 ILE 31 HG21 ILE 31 -2.578 -2.294 1.101 246 HG22 ILE 31 HG22 ILE 31 -3.023 -3.652 2.136 247 HG23 ILE 31 HG23 ILE 31 -3.675 -2.047 2.461 248 HD11 ILE 31 HD11 ILE 31 -4.523 -4.669 -2.272 249 HD12 ILE 31 HD12 ILE 31 -4.709 -2.944 -1.954 250 HD13 ILE 31 HD13 ILE 31 -5.953 -4.078 -1.427 251 H ALA 32 HN ALA 32 -4.917 -3.484 3.986 252 HA ALA 32 HA ALA 32 -3.894 -6.124 4.126 253 HB1 ALA 32 HB1 ALA 32 -4.529 -4.248 6.396 254 HB2 ALA 32 HB2 ALA 32 -3.032 -4.242 5.465 255 HB3 ALA 32 HB3 ALA 32 -3.450 -5.644 6.449 256 H ARG 33 HN ARG 33 -7.000 -4.731 4.839 257 HA ARG 33 HA ARG 33 -7.944 -6.815 6.532 258 HB2 ARG 33 HB2 ARG 33 -8.804 -4.338 6.046 259 HB3 ARG 33 HB1 ARG 33 -9.871 -5.211 4.952 260 HG2 ARG 33 HG2 ARG 33 -10.702 -6.555 6.786 261 HG3 ARG 33 HG1 ARG 33 -9.577 -5.770 7.897 262 HD2 ARG 33 HD2 ARG 33 -11.651 -4.262 6.321 263 HD3 ARG 33 HD1 ARG 33 -11.955 -4.917 7.930 264 HE ARG 33 HE ARG 33 -9.662 -3.437 8.183 265 HH11 ARG 33 HH12 ARG 33 -12.928 -2.792 7.138 266 HH12 ARG 33 HH11 ARG 33 -12.905 -1.143 7.659 267 HH21 ARG 33 HH21 ARG 33 -9.628 -1.267 8.875 268 HH22 ARG 33 HH22 ARG 33 -11.030 -0.275 8.645 269 H ARG 34 HN ARG 34 -7.984 -6.324 3.050 270 HA ARG 34 HA ARG 34 -9.928 -8.379 2.554 271 HB2 ARG 34 HB2 ARG 34 -8.248 -6.583 0.879 272 HB3 ARG 34 HB1 ARG 34 -8.881 -8.047 0.135 273 HG2 ARG 34 HG2 ARG 34 -10.532 -6.530 -0.364 274 HG3 ARG 34 HG1 ARG 34 -11.151 -7.241 1.130 275 HD2 ARG 34 HD2 ARG 34 -10.242 -5.372 2.404 276 HD3 ARG 34 HD1 ARG 34 -9.593 -4.665 0.926 277 HE ARG 34 HE ARG 34 -12.333 -5.013 0.561 278 HH11 ARG 34 HH12 ARG 34 -10.167 -3.175 2.577 279 HH12 ARG 34 HH11 ARG 34 -11.263 -1.846 2.773 280 HH21 ARG 34 HH22 ARG 34 -13.790 -3.256 0.808 281 HH22 ARG 34 HH21 ARG 34 -13.319 -1.893 1.767 282 H LEU 35 HN LEU 35 -6.423 -8.243 2.685 283 HA LEU 35 HA LEU 35 -6.259 -10.959 1.613 284 HB2 LEU 35 HB2 LEU 35 -4.233 -8.810 2.109 285 HB3 LEU 35 HB1 LEU 35 -3.733 -10.472 1.857 286 HG LEU 35 HG LEU 35 -5.282 -10.216 -0.301 287 HD11 LEU 35 HD11 LEU 35 -5.983 -7.942 0.187 288 HD12 LEU 35 HD12 LEU 35 -5.004 -7.985 -1.280 289 HD13 LEU 35 HD13 LEU 35 -4.300 -7.416 0.235 290 HD21 LEU 35 HD21 LEU 35 -3.246 -9.623 -1.564 291 HD22 LEU 35 HD22 LEU 35 -2.958 -10.875 -0.357 292 HD23 LEU 35 HD23 LEU 35 -2.449 -9.216 -0.045 293 H GLY 36 HN GLY 36 -6.226 -9.325 4.620 294 HA2 GLY 36 HA2 GLY 36 -6.287 -10.289 6.732 295 HA3 GLY 36 HA1 GLY 36 -5.887 -11.839 6.008 296 H LEU 37 HN LEU 37 -4.194 -8.709 5.984 297 HA LEU 37 HA LEU 37 -1.953 -9.981 7.396 298 HB2 LEU 37 HB2 LEU 37 -1.562 -8.060 5.117 299 HB3 LEU 37 HB1 LEU 37 -0.342 -9.000 5.946 300 HG LEU 37 HG LEU 37 -2.513 -10.433 4.473 301 HD11 LEU 37 HD11 LEU 37 -1.735 -8.798 2.867 302 HD12 LEU 37 HD12 LEU 37 -1.135 -10.400 2.442 303 HD13 LEU 37 HD13 LEU 37 -0.058 -9.229 3.204 304 HD21 LEU 37 HD21 LEU 37 -0.977 -11.701 5.873 305 HD22 LEU 37 HD22 LEU 37 0.398 -11.021 5.001 306 HD23 LEU 37 HD23 LEU 37 -0.736 -12.086 4.169 307 H SER 38 HN SER 38 -0.257 -8.114 7.859 308 HA SER 38 HA SER 38 -1.785 -6.025 9.247 309 HB2 SER 38 HB2 SER 38 0.995 -7.093 9.789 310 HB3 SER 38 HB1 SER 38 0.214 -5.806 10.708 311 HG SER 38 HG SER 38 -0.125 -7.728 11.783 312 HA PRO 39 HA PRO 39 -0.160 -2.875 6.609 313 HB2 PRO 39 HB2 PRO 39 -0.020 -1.061 8.914 314 HB3 PRO 39 HB1 PRO 39 -1.046 -0.974 7.477 315 HG2 PRO 39 HG2 PRO 39 -2.050 -1.577 9.893 316 HG3 PRO 39 HG1 PRO 39 -2.708 -2.260 8.395 317 HD2 PRO 39 HD2 PRO 39 -0.904 -3.517 10.410 318 HD3 PRO 39 HD1 PRO 39 -2.265 -4.219 9.515 319 H GLU 40 HN GLU 40 1.507 -3.657 9.578 320 HA GLU 40 HA GLU 40 3.831 -2.065 9.071 321 HB2 GLU 40 HB2 GLU 40 3.196 -4.287 10.995 322 HB3 GLU 40 HB1 GLU 40 4.803 -3.582 10.898 323 HG2 GLU 40 HG2 GLU 40 3.874 -1.389 11.439 324 HG3 GLU 40 HG1 GLU 40 2.262 -2.099 11.535 325 H ASP 41 HN ASP 41 2.703 -5.031 7.861 326 HA ASP 41 HA ASP 41 5.379 -6.005 7.191 327 HB2 ASP 41 HB2 ASP 41 2.640 -7.247 6.967 328 HB3 ASP 41 HB1 ASP 41 4.077 -7.988 6.272 329 H ILE 42 HN ILE 42 2.512 -4.651 5.711 330 HA ILE 42 HA ILE 42 3.571 -5.070 3.031 331 HB ILE 42 HB ILE 42 1.148 -3.410 3.436 332 HG12 ILE 42 HG12 ILE 42 0.998 -6.415 3.682 333 HG13 ILE 42 HG11 ILE 42 0.998 -5.351 5.079 334 HG21 ILE 42 HG21 ILE 42 1.984 -3.893 1.209 335 HG22 ILE 42 HG22 ILE 42 0.408 -4.645 1.453 336 HG23 ILE 42 HG23 ILE 42 1.872 -5.624 1.524 337 HD11 ILE 42 HD11 ILE 42 -1.064 -5.505 2.902 338 HD12 ILE 42 HD12 ILE 42 -1.019 -4.233 4.123 339 HD13 ILE 42 HD13 ILE 42 -1.253 -5.912 4.608 340 H LYS 43 HN LYS 43 4.917 -3.673 2.162 341 HA LYS 43 HA LYS 43 4.828 -0.874 3.061 342 HB2 LYS 43 HB2 LYS 43 6.968 -2.540 3.110 343 HB3 LYS 43 HB1 LYS 43 7.171 -1.804 1.527 344 HG2 LYS 43 HG2 LYS 43 7.249 0.386 2.480 345 HG3 LYS 43 HG1 LYS 43 6.817 -0.239 4.072 346 HD2 LYS 43 HD2 LYS 43 8.926 -1.590 4.015 347 HD3 LYS 43 HD1 LYS 43 9.365 -0.732 2.538 348 HE2 LYS 43 HE2 LYS 43 9.273 1.394 3.744 349 HE3 LYS 43 HE1 LYS 43 8.820 0.539 5.218 350 HZ1 LYS 43 HZ1 LYS 43 11.182 1.070 5.171 351 HZ2 LYS 43 HZ2 LYS 43 11.373 0.185 3.742 352 HZ3 LYS 43 HZ3 LYS 43 10.941 -0.605 5.175 353 H LEU 44 HN LEU 44 4.422 0.699 1.638 354 HA LEU 44 HA LEU 44 3.819 -0.090 -1.107 355 HB2 LEU 44 HB2 LEU 44 3.188 2.392 0.485 356 HB3 LEU 44 HB1 LEU 44 2.823 2.228 -1.221 357 HG LEU 44 HG LEU 44 1.590 0.023 -0.328 358 HD11 LEU 44 HD11 LEU 44 0.451 0.517 1.782 359 HD12 LEU 44 HD12 LEU 44 1.433 1.969 1.970 360 HD13 LEU 44 HD13 LEU 44 2.195 0.380 2.000 361 HD21 LEU 44 HD21 LEU 44 -0.483 1.332 -0.328 362 HD22 LEU 44 HD22 LEU 44 0.571 1.769 -1.672 363 HD23 LEU 44 HD23 LEU 44 0.464 2.820 -0.261 364 H THR 45 HN THR 45 5.151 0.367 -2.743 365 HA THR 45 HA THR 45 7.204 2.431 -2.293 366 HB THR 45 HB THR 45 7.719 0.238 -4.238 367 HG1 THR 45 HG1 THR 45 6.967 -0.582 -2.043 368 HG21 THR 45 HG21 THR 45 10.029 0.580 -3.470 369 HG22 THR 45 HG22 THR 45 9.457 1.765 -2.295 370 HG23 THR 45 HG23 THR 45 9.299 2.087 -4.021 371 H HIS 46 HN HIS 46 7.216 4.068 -3.642 372 HA HIS 46 HA HIS 46 6.090 3.754 -6.335 373 HB2 HIS 46 HB2 HIS 46 4.604 4.926 -4.454 374 HB3 HIS 46 HB1 HIS 46 5.593 6.315 -4.891 375 HD1 HIS 46 HD1 HIS 46 3.785 3.671 -6.974 376 HD2 HIS 46 HD2 HIS 46 4.216 7.792 -6.663 377 HE1 HIS 46 HE1 HIS 46 2.409 4.637 -8.845 378 HE2 HIS 46 HE2 HIS 46 2.682 7.132 -8.637 379 H ASN 47 HN ASN 47 7.595 4.267 -7.754 380 HA ASN 47 HA ASN 47 9.319 5.272 -8.833 381 HB2 ASN 47 HB2 ASN 47 8.680 7.497 -6.897 382 HB3 ASN 47 HB1 ASN 47 9.897 7.645 -8.164 383 HD21 ASN 47 HD21 ASN 47 6.598 7.750 -7.379 384 HD22 ASN 47 HD22 ASN 47 5.989 8.056 -8.964 385 H GLY 48 HN GLY 48 9.735 3.613 -6.389 386 HA2 GLY 48 HA2 GLY 48 11.793 2.739 -5.633 387 HA3 GLY 48 HA1 GLY 48 12.567 4.251 -6.074 388 H LYS 49 HN LYS 49 10.131 5.527 -4.568 389 HA LYS 49 HA LYS 49 11.481 5.472 -1.961 390 HB2 LYS 49 HB2 LYS 49 9.611 7.449 -3.256 391 HB3 LYS 49 HB1 LYS 49 10.007 7.525 -1.547 392 HG2 LYS 49 HG2 LYS 49 12.374 7.773 -2.103 393 HG3 LYS 49 HG1 LYS 49 11.973 7.699 -3.820 394 HD2 LYS 49 HD2 LYS 49 10.606 9.717 -3.583 395 HD3 LYS 49 HD1 LYS 49 11.007 9.786 -1.866 396 HE2 LYS 49 HE2 LYS 49 13.375 10.041 -2.433 397 HE3 LYS 49 HE1 LYS 49 12.972 9.969 -4.147 398 HZ1 LYS 49 HZ1 LYS 49 11.667 11.985 -3.890 399 HZ2 LYS 49 HZ2 LYS 49 13.264 12.244 -3.401 400 HZ3 LYS 49 HZ3 LYS 49 12.048 12.053 -2.242 401 H THR 50 HN THR 50 10.405 5.047 -0.068 402 HA THR 50 HA THR 50 7.925 3.543 -0.374 403 HB THR 50 HB THR 50 8.408 3.005 2.115 404 HG1 THR 50 HG1 THR 50 10.220 3.779 2.895 405 HG21 THR 50 HG21 THR 50 9.987 1.231 1.462 406 HG22 THR 50 HG22 THR 50 10.246 2.041 -0.082 407 HG23 THR 50 HG23 THR 50 8.658 1.384 0.314 408 H LEU 51 HN LEU 51 6.113 3.889 0.933 409 HA LEU 51 HA LEU 51 5.798 6.685 1.760 410 HB2 LEU 51 HB2 LEU 51 3.844 4.524 1.023 411 HB3 LEU 51 HB1 LEU 51 3.330 6.019 1.782 412 HG LEU 51 HG LEU 51 4.716 7.066 -0.247 413 HD11 LEU 51 HD11 LEU 51 4.353 5.761 -2.278 414 HD12 LEU 51 HD12 LEU 51 3.712 4.430 -1.315 415 HD13 LEU 51 HD13 LEU 51 5.402 4.907 -1.147 416 HD21 LEU 51 HD21 LEU 51 2.573 7.214 -1.466 417 HD22 LEU 51 HD22 LEU 51 2.418 7.588 0.249 418 HD23 LEU 51 HD23 LEU 51 1.892 6.019 -0.362 419 H ASP 52 HN ASP 52 5.336 7.287 3.801 420 HA ASP 52 HA ASP 52 5.433 5.219 5.862 421 HB2 ASP 52 HB2 ASP 52 6.807 7.483 5.773 422 HB3 ASP 52 HB1 ASP 52 5.353 8.129 6.531 423 HA PRO 53 HA PRO 53 1.047 5.342 6.569 424 HB2 PRO 53 HB2 PRO 53 1.652 4.654 9.367 425 HB3 PRO 53 HB1 PRO 53 0.743 3.744 8.155 426 HG2 PRO 53 HG2 PRO 53 3.179 2.971 8.965 427 HG3 PRO 53 HG1 PRO 53 2.602 2.713 7.308 428 HD2 PRO 53 HD2 PRO 53 4.508 4.748 8.351 429 HD3 PRO 53 HD1 PRO 53 4.516 3.870 6.808 430 H SER 54 HN SER 54 3.282 7.150 8.553 431 HA SER 54 HA SER 54 1.260 8.543 10.046 432 HB2 SER 54 HB2 SER 54 4.204 9.138 9.706 433 HB3 SER 54 HB1 SER 54 3.134 9.893 10.889 434 HG SER 54 HG SER 54 4.147 7.283 10.803 435 H LEU 55 HN LEU 55 2.921 9.064 7.025 436 HA LEU 55 HA LEU 55 2.237 11.843 6.885 437 HB2 LEU 55 HB2 LEU 55 3.589 9.872 5.090 438 HB3 LEU 55 HB1 LEU 55 3.169 11.460 4.544 439 HG LEU 55 HG LEU 55 4.826 11.117 7.008 440 HD11 LEU 55 HD11 LEU 55 6.840 11.256 5.662 441 HD12 LEU 55 HD12 LEU 55 5.877 11.231 4.185 442 HD13 LEU 55 HD13 LEU 55 5.916 9.817 5.239 443 HD21 LEU 55 HD21 LEU 55 3.929 13.328 6.576 444 HD22 LEU 55 HD22 LEU 55 4.597 13.303 4.943 445 HD23 LEU 55 HD23 LEU 55 5.677 13.324 6.339 446 H THR 56 HN THR 56 1.472 12.307 4.405 447 HA THR 56 HA THR 56 -1.116 10.924 4.154 448 HB THR 56 HB THR 56 -1.988 12.997 3.111 449 HG1 THR 56 HG1 THR 56 0.285 14.366 4.081 450 HG21 THR 56 HG21 THR 56 -2.429 12.675 5.450 451 HG22 THR 56 HG22 THR 56 -2.026 14.373 5.195 452 HG23 THR 56 HG23 THR 56 -0.828 13.274 5.882 453 H LEU 57 HN LEU 57 -2.006 10.777 1.979 454 HA LEU 57 HA LEU 57 -0.068 9.801 0.128 455 HB2 LEU 57 HB2 LEU 57 -3.042 10.220 -0.103 456 HB3 LEU 57 HB1 LEU 57 -2.067 9.448 -1.342 457 HG LEU 57 HG LEU 57 -2.002 8.356 1.440 458 HD11 LEU 57 HD11 LEU 57 -4.377 8.623 0.965 459 HD12 LEU 57 HD12 LEU 57 -3.911 6.922 0.945 460 HD13 LEU 57 HD13 LEU 57 -4.172 7.784 -0.571 461 HD21 LEU 57 HD21 LEU 57 -0.473 7.516 -0.306 462 HD22 LEU 57 HD22 LEU 57 -1.872 7.040 -1.269 463 HD23 LEU 57 HD23 LEU 57 -1.576 6.278 0.294 464 H ALA 58 HN ALA 58 -1.899 12.767 0.426 465 HA ALA 58 HA ALA 58 -1.312 13.679 -2.236 466 HB1 ALA 58 HB1 ALA 58 -3.363 14.336 -1.070 467 HB2 ALA 58 HB2 ALA 58 -2.410 15.735 -1.566 468 HB3 ALA 58 HB3 ALA 58 -2.398 15.211 0.119 469 H GLU 59 HN GLU 59 0.525 13.523 0.575 470 HA GLU 59 HA GLU 59 1.996 15.983 0.180 471 HB2 GLU 59 HB2 GLU 59 1.552 14.572 2.396 472 HB3 GLU 59 HB1 GLU 59 3.054 13.800 1.904 473 HG2 GLU 59 HG2 GLU 59 3.763 15.482 3.322 474 HG3 GLU 59 HG1 GLU 59 3.975 16.197 1.724 475 H TYR 60 HN TYR 60 2.110 12.750 -0.919 476 HA TYR 60 HA TYR 60 4.908 12.856 -1.660 477 HB2 TYR 60 HB2 TYR 60 2.760 10.786 -1.646 478 HB3 TYR 60 HB1 TYR 60 4.140 10.563 -2.702 479 HD1 TYR 60 HD1 TYR 60 6.386 10.215 -1.760 480 HD2 TYR 60 HD2 TYR 60 2.971 10.622 0.742 481 HE1 TYR 60 HE1 TYR 60 7.670 9.307 0.133 482 HE2 TYR 60 HE2 TYR 60 4.246 9.718 2.642 483 HH TYR 60 HH TYR 60 7.620 9.353 2.589 484 H GLY 61 HN GLY 61 1.832 13.534 -3.038 485 HA2 GLY 61 HA2 GLY 61 1.454 14.632 -5.066 486 HA3 GLY 61 HA1 GLY 61 3.103 14.260 -5.546 487 H ILE 62 HN ILE 62 0.461 12.105 -4.508 488 HA ILE 62 HA ILE 62 0.695 10.767 -7.126 489 HB ILE 62 HB ILE 62 -0.198 9.389 -4.604 490 HG12 ILE 62 HG12 ILE 62 2.527 8.883 -5.669 491 HG13 ILE 62 HG11 ILE 62 2.291 10.388 -4.785 492 HG21 ILE 62 HG21 ILE 62 0.359 7.362 -5.857 493 HG22 ILE 62 HG22 ILE 62 0.835 8.349 -7.236 494 HG23 ILE 62 HG23 ILE 62 -0.844 8.336 -6.701 495 HD11 ILE 62 HD11 ILE 62 1.508 9.161 -2.856 496 HD12 ILE 62 HD12 ILE 62 3.094 8.573 -3.353 497 HD13 ILE 62 HD13 ILE 62 1.646 7.642 -3.740 498 H THR 63 HN THR 63 -1.139 10.184 -8.199 499 HA THR 63 HA THR 63 -3.707 10.985 -6.999 500 HB THR 63 HB THR 63 -4.435 11.458 -9.403 501 HG1 THR 63 HG1 THR 63 -1.607 11.527 -9.783 502 HG21 THR 63 HG21 THR 63 -3.466 13.721 -9.393 503 HG22 THR 63 HG22 THR 63 -2.301 13.212 -8.171 504 HG23 THR 63 HG23 THR 63 -4.022 13.249 -7.788 505 HA PRO 64 HA PRO 64 -5.256 6.951 -7.923 506 HB2 PRO 64 HB2 PRO 64 -7.732 8.074 -9.034 507 HB3 PRO 64 HB1 PRO 64 -7.499 7.107 -7.574 508 HG2 PRO 64 HG2 PRO 64 -8.120 9.716 -7.455 509 HG3 PRO 64 HG1 PRO 64 -7.086 8.932 -6.247 510 HD2 PRO 64 HD2 PRO 64 -6.318 10.686 -8.532 511 HD3 PRO 64 HD1 PRO 64 -5.655 10.613 -6.887 512 H GLY 65 HN GLY 65 -5.141 5.514 -9.581 513 HA2 GLY 65 HA2 GLY 65 -5.734 4.917 -11.869 514 HA3 GLY 65 HA1 GLY 65 -5.405 6.582 -12.321 515 H SER 66 HN SER 66 -3.093 5.662 -10.134 516 HA SER 66 HA SER 66 -1.177 5.165 -12.293 517 HB2 SER 66 HB2 SER 66 0.534 5.656 -10.478 518 HB3 SER 66 HB1 SER 66 -0.515 7.003 -10.921 519 HG SER 66 HG SER 66 -1.392 6.964 -8.995 520 H THR 67 HN THR 67 0.732 3.725 -11.569 521 HA THR 67 HA THR 67 -0.418 1.195 -10.668 522 HB THR 67 HB THR 67 1.848 0.288 -11.468 523 HG1 THR 67 HG1 THR 67 3.128 1.633 -12.600 524 HG21 THR 67 HG21 THR 67 -0.253 0.063 -12.730 525 HG22 THR 67 HG22 THR 67 1.136 0.273 -13.794 526 HG23 THR 67 HG23 THR 67 0.046 1.627 -13.489 527 H ILE 68 HN ILE 68 -0.125 0.528 -8.638 528 HA ILE 68 HA ILE 68 2.232 1.533 -7.172 529 HB ILE 68 HB ILE 68 -0.315 0.640 -5.838 530 HG12 ILE 68 HG12 ILE 68 -0.225 3.390 -5.584 531 HG13 ILE 68 HG11 ILE 68 0.252 3.137 -7.258 532 HG21 ILE 68 HG21 ILE 68 1.683 0.666 -4.446 533 HG22 ILE 68 HG22 ILE 68 0.567 1.942 -3.957 534 HG23 ILE 68 HG23 ILE 68 1.997 2.338 -4.910 535 HD11 ILE 68 HD11 ILE 68 -2.254 2.055 -5.995 536 HD12 ILE 68 HD12 ILE 68 -1.788 1.925 -7.691 537 HD13 ILE 68 HD13 ILE 68 -2.156 3.503 -6.997 538 H THR 69 HN THR 69 3.645 0.078 -6.506 539 HA THR 69 HA THR 69 2.905 -2.756 -6.575 540 HB THR 69 HB THR 69 5.569 -2.854 -6.433 541 HG1 THR 69 HG1 THR 69 5.703 -0.520 -6.385 542 HG21 THR 69 HG21 THR 69 5.606 -3.012 -8.893 543 HG22 THR 69 HG22 THR 69 4.001 -2.282 -8.950 544 HG23 THR 69 HG23 THR 69 4.223 -3.863 -8.200 545 H LEU 70 HN LEU 70 2.873 -3.891 -4.732 546 HA LEU 70 HA LEU 70 3.767 -2.557 -2.283 547 HB2 LEU 70 HB2 LEU 70 2.400 -4.159 -1.085 548 HB3 LEU 70 HB1 LEU 70 1.463 -3.361 -2.331 549 HG LEU 70 HG LEU 70 2.366 -5.625 -3.609 550 HD11 LEU 70 HD11 LEU 70 1.637 -6.333 -0.771 551 HD12 LEU 70 HD12 LEU 70 3.204 -6.576 -1.545 552 HD13 LEU 70 HD13 LEU 70 1.793 -7.477 -2.104 553 HD21 LEU 70 HD21 LEU 70 0.181 -4.916 -3.971 554 HD22 LEU 70 HD22 LEU 70 -0.199 -4.883 -2.249 555 HD23 LEU 70 HD23 LEU 70 -0.028 -6.426 -3.088 556 H GLU 71 HN GLU 71 4.789 -3.878 -0.598 557 HA GLU 71 HA GLU 71 6.376 -6.127 -1.585 558 HB2 GLU 71 HB2 GLU 71 7.537 -3.747 -1.672 559 HB3 GLU 71 HB1 GLU 71 7.786 -4.058 0.041 560 HG2 GLU 71 HG2 GLU 71 8.928 -6.155 -0.525 561 HG3 GLU 71 HG1 GLU 71 8.711 -5.796 -2.237 562 H ILE 72 HN ILE 72 6.977 -7.607 -0.008 563 HA ILE 72 HA ILE 72 6.070 -7.066 2.744 564 HB ILE 72 HB ILE 72 5.815 -9.813 1.551 565 HG12 ILE 72 HG12 ILE 72 3.236 -8.878 1.588 566 HG13 ILE 72 HG11 ILE 72 4.122 -7.475 0.995 567 HG21 ILE 72 HG21 ILE 72 4.146 -10.088 3.327 568 HG22 ILE 72 HG22 ILE 72 4.423 -8.424 3.838 569 HG23 ILE 72 HG23 ILE 72 5.718 -9.616 3.970 570 HD11 ILE 72 HD11 ILE 72 5.001 -8.740 -0.837 571 HD12 ILE 72 HD12 ILE 72 3.250 -8.943 -0.791 572 HD13 ILE 72 HD13 ILE 72 4.304 -10.228 -0.201 573 H LYS 73 HN LYS 73 7.292 -8.040 4.384 574 HA LYS 73 HA LYS 73 9.930 -8.964 3.505 575 HB2 LYS 73 HB2 LYS 73 10.548 -8.581 5.937 576 HB3 LYS 73 HB1 LYS 73 10.147 -7.149 5.002 577 HG2 LYS 73 HG2 LYS 73 7.906 -7.135 5.990 578 HG3 LYS 73 HG1 LYS 73 8.321 -8.566 6.935 579 HD2 LYS 73 HD2 LYS 73 10.124 -7.303 8.027 580 HD3 LYS 73 HD1 LYS 73 9.670 -5.871 7.102 581 HE2 LYS 73 HE2 LYS 73 7.454 -5.909 8.147 582 HE3 LYS 73 HE1 LYS 73 7.918 -7.336 9.074 583 HZ1 LYS 73 HZ1 LYS 73 9.649 -6.033 10.142 584 HZ2 LYS 73 HZ2 LYS 73 8.133 -5.327 10.390 585 HZ3 LYS 73 HZ3 LYS 73 9.200 -4.664 9.257 586 H LYS 74 HN LYS 74 10.556 -11.001 3.725 587 HA LYS 74 HA LYS 74 8.917 -12.783 5.406 588 HB2 LYS 74 HB2 LYS 74 9.030 -13.007 2.769 589 HB3 LYS 74 HB1 LYS 74 10.528 -13.851 3.131 590 HG2 LYS 74 HG2 LYS 74 9.297 -15.415 4.559 591 HG3 LYS 74 HG1 LYS 74 7.795 -14.571 4.175 592 HD2 LYS 74 HD2 LYS 74 8.097 -15.112 1.808 593 HD3 LYS 74 HD1 LYS 74 9.604 -15.949 2.190 594 HE2 LYS 74 HE2 LYS 74 8.373 -17.536 3.581 595 HE3 LYS 74 HE1 LYS 74 6.866 -16.696 3.214 596 HZ1 LYS 74 HZ1 LYS 74 8.611 -18.060 1.234 597 HZ2 LYS 74 HZ2 LYS 74 7.169 -17.250 0.880 598 HZ3 LYS 74 HZ3 LYS 74 7.140 -18.650 1.828 599 H LYS 75 HN LYS 75 9.961 -14.339 6.652 600 HA LYS 75 HA LYS 75 12.889 -14.110 6.813 601 HB2 LYS 75 HB2 LYS 75 10.881 -14.087 9.057 602 HB3 LYS 75 HB1 LYS 75 12.565 -14.519 9.322 603 HG2 LYS 75 HG2 LYS 75 13.264 -12.332 8.493 604 HG3 LYS 75 HG1 LYS 75 11.574 -11.898 8.218 605 HD2 LYS 75 HD2 LYS 75 11.128 -12.172 10.616 606 HD3 LYS 75 HD1 LYS 75 12.822 -12.583 10.880 607 HE2 LYS 75 HE2 LYS 75 11.953 -9.986 9.636 608 HE3 LYS 75 HE1 LYS 75 12.142 -10.190 11.378 609 HZ1 LYS 75 HZ1 LYS 75 14.135 -9.268 10.377 610 HZ2 LYS 75 HZ2 LYS 75 14.271 -10.601 9.347 611 HZ3 LYS 75 HZ3 LYS 75 14.453 -10.802 11.016 612 H GLY 76 HN GLY 76 14.019 -15.988 7.211 613 HA2 GLY 76 HA2 GLY 76 13.424 -18.342 8.270 614 HA3 GLY 76 HA1 GLY 76 12.501 -18.441 6.780 615 H GLY 77 HN GLY 77 13.563 -18.639 4.814 616 HA2 GLY 77 HA2 GLY 77 15.725 -18.515 3.607 617 HA3 GLY 77 HA1 GLY 77 16.446 -19.256 5.029 618 H LEU 78 HN LEU 78 16.842 -21.334 4.860 619 HA LEU 78 HA LEU 78 16.665 -23.542 4.393 620 HB2 LEU 78 HB2 LEU 78 13.879 -22.797 3.515 621 HB3 LEU 78 HB1 LEU 78 14.484 -24.442 3.512 622 HG LEU 78 HG LEU 78 14.582 -22.845 6.041 623 HD11 LEU 78 HD11 LEU 78 12.353 -23.672 6.625 624 HD12 LEU 78 HD12 LEU 78 12.167 -24.313 4.993 625 HD13 LEU 78 HD13 LEU 78 12.301 -22.572 5.247 626 HD21 LEU 78 HD21 LEU 78 15.718 -24.998 5.961 627 HD22 LEU 78 HD22 LEU 78 14.226 -25.778 5.434 628 HD23 LEU 78 HD23 LEU 78 14.327 -25.063 7.044 629 H GLU 79 HN GLU 79 17.913 -24.313 2.875 630 HA GLU 79 HA GLU 79 17.644 -23.329 0.133 631 HB2 GLU 79 HB2 GLU 79 19.863 -24.686 1.643 632 HB3 GLU 79 HB1 GLU 79 19.894 -24.567 -0.110 633 HG2 GLU 79 HG2 GLU 79 21.089 -22.711 0.430 634 HG3 GLU 79 HG1 GLU 79 19.470 -22.016 0.393 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -9.773 9.969 -13.727 2 H2 MET 1 HT2 MET 1 -9.188 10.610 -12.275 3 H3 MET 1 HT3 MET 1 -10.853 10.425 -12.504 4 HA MET 1 HA MET 1 -10.625 8.041 -12.578 5 HB2 MET 1 HB2 MET 1 -7.710 8.717 -12.178 6 HB3 MET 1 HB1 MET 1 -8.366 7.123 -11.829 7 HG2 MET 1 HG2 MET 1 -8.471 8.492 -14.508 8 HG3 MET 1 HG1 MET 1 -7.302 7.261 -14.038 9 HE1 MET 1 HE1 MET 1 -9.147 7.074 -16.658 10 HE2 MET 1 HE2 MET 1 -9.620 5.377 -16.593 11 HE3 MET 1 HE3 MET 1 -7.964 5.848 -16.204 12 H ASP 2 HN ASP 2 -10.649 6.766 -10.639 13 HA ASP 2 HA ASP 2 -10.215 8.217 -8.134 14 HB2 ASP 2 HB2 ASP 2 -12.459 7.388 -7.320 15 HB3 ASP 2 HB1 ASP 2 -12.528 8.654 -8.541 16 H THR 3 HN THR 3 -9.960 5.427 -9.956 17 HA THR 3 HA THR 3 -9.626 3.728 -7.575 18 HB THR 3 HB THR 3 -9.701 1.821 -9.281 19 HG1 THR 3 HG1 THR 3 -9.684 2.579 -11.274 20 HG21 THR 3 HG21 THR 3 -11.549 2.309 -7.760 21 HG22 THR 3 HG22 THR 3 -12.152 1.810 -9.339 22 HG23 THR 3 HG23 THR 3 -12.171 3.514 -8.887 23 H ILE 4 HN ILE 4 -7.811 2.354 -7.450 24 HA ILE 4 HA ILE 4 -5.566 3.086 -9.212 25 HB ILE 4 HB ILE 4 -4.082 2.652 -7.183 26 HG12 ILE 4 HG12 ILE 4 -6.313 3.527 -5.437 27 HG13 ILE 4 HG11 ILE 4 -6.351 1.843 -5.952 28 HG21 ILE 4 HG21 ILE 4 -5.881 5.066 -7.264 29 HG22 ILE 4 HG22 ILE 4 -4.343 4.855 -8.104 30 HG23 ILE 4 HG23 ILE 4 -4.380 4.961 -6.344 31 HD11 ILE 4 HD11 ILE 4 -4.133 1.500 -5.021 32 HD12 ILE 4 HD12 ILE 4 -5.243 2.116 -3.798 33 HD13 ILE 4 HD13 ILE 4 -4.062 3.194 -4.540 34 H ASN 5 HN ASN 5 -3.841 1.464 -9.285 35 HA ASN 5 HA ASN 5 -4.927 -1.250 -8.955 36 HB2 ASN 5 HB2 ASN 5 -4.515 -1.495 -11.150 37 HB3 ASN 5 HB1 ASN 5 -3.728 0.070 -11.228 38 HD21 ASN 5 HD21 ASN 5 -1.613 0.160 -11.465 39 HD22 ASN 5 HD22 ASN 5 -0.567 -1.212 -11.492 40 H ILE 6 HN ILE 6 -3.877 -2.602 -7.677 41 HA ILE 6 HA ILE 6 -1.174 -1.858 -6.770 42 HB ILE 6 HB ILE 6 -3.048 -3.480 -5.071 43 HG12 ILE 6 HG12 ILE 6 -3.096 -0.963 -3.950 44 HG13 ILE 6 HG11 ILE 6 -3.227 -0.613 -5.669 45 HG21 ILE 6 HG21 ILE 6 -0.447 -3.042 -4.771 46 HG22 ILE 6 HG22 ILE 6 -1.545 -3.158 -3.394 47 HG23 ILE 6 HG23 ILE 6 -1.048 -1.578 -3.996 48 HD11 ILE 6 HD11 ILE 6 -5.410 -0.802 -4.604 49 HD12 ILE 6 HD12 ILE 6 -5.030 -2.454 -4.114 50 HD13 ILE 6 HD13 ILE 6 -5.178 -2.054 -5.824 51 H THR 7 HN THR 7 0.250 -3.193 -7.630 52 HA THR 7 HA THR 7 -0.533 -5.848 -8.486 53 HB THR 7 HB THR 7 2.298 -4.926 -8.660 54 HG1 THR 7 HG1 THR 7 0.481 -4.106 -10.646 55 HG21 THR 7 HG21 THR 7 1.679 -7.127 -9.509 56 HG22 THR 7 HG22 THR 7 2.151 -6.068 -10.836 57 HG23 THR 7 HG23 THR 7 0.446 -6.399 -10.537 58 H LEU 8 HN LEU 8 -0.074 -7.705 -7.515 59 HA LEU 8 HA LEU 8 1.369 -7.640 -4.985 60 HB2 LEU 8 HB2 LEU 8 -0.931 -8.948 -6.034 61 HB3 LEU 8 HB1 LEU 8 0.246 -10.162 -5.644 62 HG LEU 8 HG LEU 8 0.297 -8.633 -3.382 63 HD11 LEU 8 HD11 LEU 8 -1.629 -7.333 -4.368 64 HD12 LEU 8 HD12 LEU 8 -1.892 -8.009 -2.761 65 HD13 LEU 8 HD13 LEU 8 -2.598 -8.794 -4.174 66 HD21 LEU 8 HD21 LEU 8 -1.012 -10.429 -2.370 67 HD22 LEU 8 HD22 LEU 8 0.192 -11.065 -3.491 68 HD23 LEU 8 HD23 LEU 8 -1.503 -10.978 -3.971 69 HA PRO 9 HA PRO 9 4.786 -9.930 -6.703 70 HB2 PRO 9 HB2 PRO 9 5.496 -11.592 -4.688 71 HB3 PRO 9 HB1 PRO 9 5.765 -9.844 -4.612 72 HG2 PRO 9 HG2 PRO 9 3.579 -11.459 -3.374 73 HG3 PRO 9 HG1 PRO 9 4.515 -10.118 -2.686 74 HD2 PRO 9 HD2 PRO 9 2.015 -9.797 -3.684 75 HD3 PRO 9 HD1 PRO 9 3.241 -8.516 -3.719 76 H ASP 10 HN ASP 10 1.824 -11.337 -6.140 77 HA ASP 10 HA ASP 10 2.614 -14.049 -6.875 78 HB2 ASP 10 HB2 ASP 10 -0.011 -12.803 -6.073 79 HB3 ASP 10 HB1 ASP 10 0.095 -14.451 -6.682 80 H GLY 11 HN GLY 11 1.665 -11.166 -8.374 81 HA2 GLY 11 HA2 GLY 11 1.808 -10.937 -10.747 82 HA3 GLY 11 HA1 GLY 11 1.297 -12.608 -10.908 83 H LYS 12 HN LYS 12 -0.608 -11.123 -8.599 84 HA LYS 12 HA LYS 12 -2.684 -10.584 -10.615 85 HB2 LYS 12 HB2 LYS 12 -4.306 -11.022 -8.719 86 HB3 LYS 12 HB1 LYS 12 -3.405 -12.414 -9.298 87 HG2 LYS 12 HG2 LYS 12 -1.862 -12.183 -7.395 88 HG3 LYS 12 HG1 LYS 12 -2.830 -10.833 -6.802 89 HD2 LYS 12 HD2 LYS 12 -4.784 -12.330 -6.660 90 HD3 LYS 12 HD1 LYS 12 -3.771 -13.674 -7.188 91 HE2 LYS 12 HE2 LYS 12 -2.342 -13.339 -5.209 92 HE3 LYS 12 HE1 LYS 12 -3.415 -12.044 -4.674 93 HZ1 LYS 12 HZ1 LYS 12 -3.920 -14.131 -3.564 94 HZ2 LYS 12 HZ2 LYS 12 -4.198 -14.885 -5.054 95 HZ3 LYS 12 HZ3 LYS 12 -5.219 -13.642 -4.533 96 H THR 13 HN THR 13 -3.948 -8.755 -10.454 97 HA THR 13 HA THR 13 -2.812 -6.638 -8.766 98 HB THR 13 HB THR 13 -4.050 -5.106 -10.388 99 HG1 THR 13 HG1 THR 13 -5.108 -7.302 -11.215 100 HG21 THR 13 HG21 THR 13 -1.641 -5.414 -10.485 101 HG22 THR 13 HG22 THR 13 -2.301 -5.341 -12.117 102 HG23 THR 13 HG23 THR 13 -1.846 -6.895 -11.420 103 H LEU 14 HN LEU 14 -4.214 -5.090 -7.790 104 HA LEU 14 HA LEU 14 -6.949 -6.060 -7.286 105 HB2 LEU 14 HB2 LEU 14 -5.070 -6.278 -5.427 106 HB3 LEU 14 HB1 LEU 14 -5.458 -4.588 -5.165 107 HG LEU 14 HG LEU 14 -7.767 -6.435 -5.250 108 HD11 LEU 14 HD11 LEU 14 -6.194 -7.808 -4.025 109 HD12 LEU 14 HD12 LEU 14 -7.411 -7.154 -2.929 110 HD13 LEU 14 HD13 LEU 14 -5.795 -6.452 -2.971 111 HD21 LEU 14 HD21 LEU 14 -8.062 -4.070 -4.797 112 HD22 LEU 14 HD22 LEU 14 -6.938 -4.166 -3.441 113 HD23 LEU 14 HD23 LEU 14 -8.482 -5.018 -3.370 114 H THR 15 HN THR 15 -8.530 -4.462 -6.899 115 HA THR 15 HA THR 15 -7.725 -1.747 -7.712 116 HB THR 15 HB THR 15 -10.549 -2.658 -8.022 117 HG1 THR 15 HG1 THR 15 -10.028 -3.567 -10.042 118 HG21 THR 15 HG21 THR 15 -9.974 -0.334 -8.465 119 HG22 THR 15 HG22 THR 15 -10.440 -1.142 -9.961 120 HG23 THR 15 HG23 THR 15 -8.737 -0.841 -9.612 121 H LEU 16 HN LEU 16 -7.942 -0.231 -6.217 122 HA LEU 16 HA LEU 16 -10.074 -0.479 -4.212 123 HB2 LEU 16 HB2 LEU 16 -7.741 -1.185 -3.379 124 HB3 LEU 16 HB1 LEU 16 -7.326 0.514 -3.491 125 HG LEU 16 HG LEU 16 -9.473 0.808 -1.977 126 HD11 LEU 16 HD11 LEU 16 -10.159 -1.514 -2.001 127 HD12 LEU 16 HD12 LEU 16 -9.678 -1.044 -0.368 128 HD13 LEU 16 HD13 LEU 16 -8.590 -2.010 -1.368 129 HD21 LEU 16 HD21 LEU 16 -7.202 1.472 -1.384 130 HD22 LEU 16 HD22 LEU 16 -6.829 -0.190 -0.927 131 HD23 LEU 16 HD23 LEU 16 -8.028 0.728 -0.016 132 H THR 17 HN THR 17 -10.555 1.622 -3.142 133 HA THR 17 HA THR 17 -10.318 3.772 -5.096 134 HB THR 17 HB THR 17 -12.575 3.344 -4.450 135 HG1 THR 17 HG1 THR 17 -12.099 5.547 -4.689 136 HG21 THR 17 HG21 THR 17 -12.111 2.245 -2.319 137 HG22 THR 17 HG22 THR 17 -13.335 3.501 -2.140 138 HG23 THR 17 HG23 THR 17 -11.678 3.797 -1.611 139 H VAL 18 HN VAL 18 -9.574 5.847 -4.566 140 HA VAL 18 HA VAL 18 -8.169 6.065 -1.985 141 HB VAL 18 HB VAL 18 -6.481 7.516 -3.324 142 HG11 VAL 18 HG11 VAL 18 -5.212 5.387 -3.964 143 HG12 VAL 18 HG12 VAL 18 -6.597 4.523 -3.293 144 HG13 VAL 18 HG13 VAL 18 -5.656 5.611 -2.272 145 HG21 VAL 18 HG21 VAL 18 -7.690 7.536 -5.435 146 HG22 VAL 18 HG22 VAL 18 -7.577 5.778 -5.534 147 HG23 VAL 18 HG23 VAL 18 -6.117 6.764 -5.629 148 H THR 19 HN THR 19 -8.015 8.111 -1.080 149 HA THR 19 HA THR 19 -9.366 10.319 -2.444 150 HB THR 19 HB THR 19 -10.478 10.904 -0.210 151 HG1 THR 19 HG1 THR 19 -9.272 8.594 0.478 152 HG21 THR 19 HG21 THR 19 -11.434 8.463 -1.708 153 HG22 THR 19 HG22 THR 19 -11.752 10.140 -2.145 154 HG23 THR 19 HG23 THR 19 -12.424 9.476 -0.656 155 HA PRO 20 HA PRO 20 -6.067 12.686 -0.702 156 HB2 PRO 20 HB2 PRO 20 -7.761 15.020 -0.326 157 HB3 PRO 20 HB1 PRO 20 -6.504 14.744 -1.536 158 HG2 PRO 20 HG2 PRO 20 -9.138 14.878 -2.164 159 HG3 PRO 20 HG1 PRO 20 -7.962 13.921 -3.084 160 HD2 PRO 20 HD2 PRO 20 -9.953 13.016 -1.053 161 HD3 PRO 20 HD1 PRO 20 -9.456 12.248 -2.577 162 H GLU 21 HN GLU 21 -8.833 11.987 1.108 163 HA GLU 21 HA GLU 21 -7.853 13.355 3.498 164 HB2 GLU 21 HB2 GLU 21 -10.355 13.202 2.603 165 HB3 GLU 21 HB1 GLU 21 -10.337 11.718 3.544 166 HG2 GLU 21 HG2 GLU 21 -9.702 12.971 5.530 167 HG3 GLU 21 HG1 GLU 21 -9.678 14.462 4.590 168 H PHE 22 HN PHE 22 -7.659 10.330 2.003 169 HA PHE 22 HA PHE 22 -7.510 8.784 4.438 170 HB2 PHE 22 HB2 PHE 22 -7.752 8.228 1.633 171 HB3 PHE 22 HB1 PHE 22 -6.383 7.356 2.276 172 HD1 PHE 22 HD2 PHE 22 -9.971 8.036 2.968 173 HD2 PHE 22 HD1 PHE 22 -6.712 5.321 3.306 174 HE1 PHE 22 HE2 PHE 22 -11.495 6.327 3.869 175 HE2 PHE 22 HE1 PHE 22 -8.229 3.606 4.205 176 HZ PHE 22 HZ PHE 22 -10.623 4.108 4.490 177 H THR 23 HN THR 23 -5.660 7.971 5.365 178 HA THR 23 HA THR 23 -3.174 9.308 4.581 179 HB THR 23 HB THR 23 -2.321 8.304 6.773 180 HG1 THR 23 HG1 THR 23 -5.084 8.020 7.371 181 HG21 THR 23 HG21 THR 23 -4.567 10.316 6.759 182 HG22 THR 23 HG22 THR 23 -2.834 10.635 6.684 183 HG23 THR 23 HG23 THR 23 -3.551 9.997 8.163 184 H VAL 24 HN VAL 24 -1.143 7.870 4.892 185 HA VAL 24 HA VAL 24 -1.351 5.676 3.107 186 HB VAL 24 HB VAL 24 0.951 6.245 4.979 187 HG11 VAL 24 HG11 VAL 24 0.885 4.870 2.294 188 HG12 VAL 24 HG12 VAL 24 0.989 4.053 3.855 189 HG13 VAL 24 HG13 VAL 24 2.301 5.103 3.318 190 HG21 VAL 24 HG21 VAL 24 1.912 7.598 3.199 191 HG22 VAL 24 HG22 VAL 24 0.355 8.256 3.707 192 HG23 VAL 24 HG23 VAL 24 0.478 7.336 2.208 193 H LYS 25 HN LYS 25 -1.371 5.992 6.579 194 HA LYS 25 HA LYS 25 -1.013 3.231 7.194 195 HB2 LYS 25 HB2 LYS 25 -0.781 5.417 8.662 196 HB3 LYS 25 HB1 LYS 25 -2.469 5.080 9.025 197 HG2 LYS 25 HG2 LYS 25 -1.870 2.877 9.855 198 HG3 LYS 25 HG1 LYS 25 -0.176 3.179 9.453 199 HD2 LYS 25 HD2 LYS 25 -0.130 5.048 11.024 200 HD3 LYS 25 HD1 LYS 25 -1.829 4.766 11.417 201 HE2 LYS 25 HE2 LYS 25 -1.259 2.533 12.247 202 HE3 LYS 25 HE1 LYS 25 0.437 2.828 11.864 203 HZ1 LYS 25 HZ1 LYS 25 0.441 4.654 13.446 204 HZ2 LYS 25 HZ2 LYS 25 -0.017 3.209 14.201 205 HZ3 LYS 25 HZ3 LYS 25 -1.187 4.370 13.813 206 H GLU 26 HN GLU 26 -3.811 5.342 6.763 207 HA GLU 26 HA GLU 26 -5.744 3.407 7.537 208 HB2 GLU 26 HB2 GLU 26 -5.802 6.090 7.111 209 HB3 GLU 26 HB1 GLU 26 -6.602 5.504 5.657 210 HG2 GLU 26 HG2 GLU 26 -8.322 4.482 6.892 211 HG3 GLU 26 HG1 GLU 26 -7.427 4.619 8.405 212 H LEU 27 HN LEU 27 -4.609 4.564 4.352 213 HA LEU 27 HA LEU 27 -6.212 2.879 2.803 214 HB2 LEU 27 HB2 LEU 27 -4.809 4.859 2.070 215 HB3 LEU 27 HB1 LEU 27 -3.435 3.773 2.085 216 HG LEU 27 HG LEU 27 -4.911 2.317 0.487 217 HD11 LEU 27 HD11 LEU 27 -6.392 3.650 -0.920 218 HD12 LEU 27 HD12 LEU 27 -6.111 5.057 0.106 219 HD13 LEU 27 HD13 LEU 27 -6.939 3.643 0.756 220 HD21 LEU 27 HD21 LEU 27 -3.598 4.887 -0.397 221 HD22 LEU 27 HD22 LEU 27 -3.996 3.526 -1.446 222 HD23 LEU 27 HD23 LEU 27 -2.801 3.332 -0.162 223 H ALA 28 HN ALA 28 -3.195 2.289 4.482 224 HA ALA 28 HA ALA 28 -2.567 -0.167 3.181 225 HB1 ALA 28 HB1 ALA 28 -0.898 -0.454 4.917 226 HB2 ALA 28 HB2 ALA 28 -1.619 0.862 5.846 227 HB3 ALA 28 HB3 ALA 28 -0.865 1.194 4.288 228 H GLU 29 HN GLU 29 -4.443 0.660 6.065 229 HA GLU 29 HA GLU 29 -4.648 -2.043 6.974 230 HB2 GLU 29 HB2 GLU 29 -6.031 -1.251 8.687 231 HB3 GLU 29 HB1 GLU 29 -4.945 0.092 8.367 232 HG2 GLU 29 HG2 GLU 29 -6.721 1.102 6.945 233 HG3 GLU 29 HG1 GLU 29 -7.800 -0.189 7.472 234 H GLU 30 HN GLU 30 -6.348 -0.112 4.665 235 HA GLU 30 HA GLU 30 -8.757 -1.619 4.554 236 HB2 GLU 30 HB2 GLU 30 -7.638 0.658 3.233 237 HB3 GLU 30 HB1 GLU 30 -8.197 -0.473 2.007 238 HG2 GLU 30 HG2 GLU 30 -10.367 -0.547 3.391 239 HG3 GLU 30 HG1 GLU 30 -9.767 0.942 4.120 240 H ILE 31 HN ILE 31 -5.805 -1.632 2.561 241 HA ILE 31 HA ILE 31 -6.603 -3.815 0.932 242 HB ILE 31 HB ILE 31 -4.893 -2.135 0.252 243 HG12 ILE 31 HG12 ILE 31 -3.168 -4.043 -0.478 244 HG13 ILE 31 HG11 ILE 31 -4.475 -5.074 0.095 245 HG21 ILE 31 HG21 ILE 31 -3.714 -2.109 2.466 246 HG22 ILE 31 HG22 ILE 31 -2.659 -2.198 1.056 247 HG23 ILE 31 HG23 ILE 31 -2.978 -3.645 2.013 248 HD11 ILE 31 HD11 ILE 31 -4.492 -4.546 -2.352 249 HD12 ILE 31 HD12 ILE 31 -4.880 -2.883 -1.913 250 HD13 ILE 31 HD13 ILE 31 -5.986 -4.188 -1.485 251 H ALA 32 HN ALA 32 -4.882 -3.567 3.967 252 HA ALA 32 HA ALA 32 -3.822 -6.197 4.018 253 HB1 ALA 32 HB1 ALA 32 -3.333 -5.769 6.342 254 HB2 ALA 32 HB2 ALA 32 -4.434 -4.391 6.349 255 HB3 ALA 32 HB3 ALA 32 -2.956 -4.333 5.385 256 H ARG 33 HN ARG 33 -6.927 -4.858 4.849 257 HA ARG 33 HA ARG 33 -7.808 -6.994 6.504 258 HB2 ARG 33 HB2 ARG 33 -8.722 -4.531 6.118 259 HB3 ARG 33 HB1 ARG 33 -9.772 -5.367 4.980 260 HG2 ARG 33 HG2 ARG 33 -10.559 -6.828 6.763 261 HG3 ARG 33 HG1 ARG 33 -9.487 -6.018 7.905 262 HD2 ARG 33 HD2 ARG 33 -11.619 -5.064 8.230 263 HD3 ARG 33 HD1 ARG 33 -10.688 -3.875 7.322 264 HE ARG 33 HE ARG 33 -12.092 -5.478 5.506 265 HH11 ARG 33 HH12 ARG 33 -12.712 -3.082 7.963 266 HH12 ARG 33 HH11 ARG 33 -14.167 -2.508 7.220 267 HH21 ARG 33 HH21 ARG 33 -14.014 -4.728 4.523 268 HH22 ARG 33 HH22 ARG 33 -14.905 -3.443 5.268 269 H ARG 34 HN ARG 34 -7.913 -6.428 3.042 270 HA ARG 34 HA ARG 34 -9.823 -8.497 2.507 271 HB2 ARG 34 HB2 ARG 34 -8.153 -6.658 0.871 272 HB3 ARG 34 HB1 ARG 34 -8.763 -8.117 0.098 273 HG2 ARG 34 HG2 ARG 34 -10.445 -6.644 -0.387 274 HG3 ARG 34 HG1 ARG 34 -11.045 -7.340 1.120 275 HD2 ARG 34 HD2 ARG 34 -10.135 -5.444 2.362 276 HD3 ARG 34 HD1 ARG 34 -9.516 -4.753 0.864 277 HE ARG 34 HE ARG 34 -12.332 -5.211 0.754 278 HH11 ARG 34 HH12 ARG 34 -9.883 -3.032 1.931 279 HH12 ARG 34 HH11 ARG 34 -10.927 -1.649 1.938 280 HH21 ARG 34 HH22 ARG 34 -13.727 -3.390 0.774 281 HH22 ARG 34 HH21 ARG 34 -13.109 -1.853 1.281 282 H LEU 35 HN LEU 35 -6.334 -8.350 2.724 283 HA LEU 35 HA LEU 35 -6.129 -11.038 1.584 284 HB2 LEU 35 HB2 LEU 35 -4.134 -8.875 2.140 285 HB3 LEU 35 HB1 LEU 35 -3.608 -10.527 1.883 286 HG LEU 35 HG LEU 35 -5.125 -10.271 -0.298 287 HD11 LEU 35 HD11 LEU 35 -5.853 -8.007 0.203 288 HD12 LEU 35 HD12 LEU 35 -4.860 -8.033 -1.256 289 HD13 LEU 35 HD13 LEU 35 -4.175 -7.466 0.268 290 HD21 LEU 35 HD21 LEU 35 -2.305 -9.258 0.024 291 HD22 LEU 35 HD22 LEU 35 -3.070 -9.637 -1.520 292 HD23 LEU 35 HD23 LEU 35 -2.802 -10.913 -0.330 293 H GLY 36 HN GLY 36 -6.154 -9.457 4.618 294 HA2 GLY 36 HA2 GLY 36 -6.253 -10.477 6.708 295 HA3 GLY 36 HA1 GLY 36 -5.790 -11.996 5.962 296 H LEU 37 HN LEU 37 -4.155 -8.839 5.974 297 HA LEU 37 HA LEU 37 -1.942 -10.053 7.479 298 HB2 LEU 37 HB2 LEU 37 -1.509 -8.193 5.156 299 HB3 LEU 37 HB1 LEU 37 -0.298 -9.077 6.056 300 HG LEU 37 HG LEU 37 -2.386 -10.603 4.562 301 HD11 LEU 37 HD11 LEU 37 0.090 -9.399 3.339 302 HD12 LEU 37 HD12 LEU 37 -1.580 -9.009 2.929 303 HD13 LEU 37 HD13 LEU 37 -0.941 -10.614 2.583 304 HD21 LEU 37 HD21 LEU 37 -0.575 -12.233 4.387 305 HD22 LEU 37 HD22 LEU 37 -0.875 -11.785 6.065 306 HD23 LEU 37 HD23 LEU 37 0.513 -11.116 5.210 307 H SER 38 HN SER 38 -0.282 -8.152 7.946 308 HA SER 38 HA SER 38 -1.876 -6.034 9.216 309 HB2 SER 38 HB2 SER 38 0.269 -5.755 10.629 310 HB3 SER 38 HB1 SER 38 -0.715 -7.192 10.911 311 HG SER 38 HG SER 38 1.674 -7.001 9.391 312 HA PRO 39 HA PRO 39 -0.117 -2.974 6.558 313 HB2 PRO 39 HB2 PRO 39 -0.135 -1.057 8.776 314 HB3 PRO 39 HB1 PRO 39 -1.094 -1.061 7.291 315 HG2 PRO 39 HG2 PRO 39 -2.189 -1.568 9.694 316 HG3 PRO 39 HG1 PRO 39 -2.776 -2.326 8.200 317 HD2 PRO 39 HD2 PRO 39 -1.039 -3.468 10.339 318 HD3 PRO 39 HD1 PRO 39 -2.356 -4.226 9.422 319 H GLU 40 HN GLU 40 1.437 -3.770 9.551 320 HA GLU 40 HA GLU 40 3.711 -2.062 9.238 321 HB2 GLU 40 HB2 GLU 40 3.088 -4.409 11.008 322 HB3 GLU 40 HB1 GLU 40 4.669 -3.640 11.020 323 HG2 GLU 40 HG2 GLU 40 3.632 -1.515 11.635 324 HG3 GLU 40 HG1 GLU 40 2.047 -2.289 11.617 325 H ASP 41 HN ASP 41 2.807 -5.108 7.933 326 HA ASP 41 HA ASP 41 5.566 -5.819 7.274 327 HB2 ASP 41 HB2 ASP 41 2.957 -7.308 7.152 328 HB3 ASP 41 HB1 ASP 41 4.366 -7.890 6.273 329 H ILE 42 HN ILE 42 2.630 -4.654 5.789 330 HA ILE 42 HA ILE 42 3.706 -5.035 3.106 331 HB ILE 42 HB ILE 42 1.177 -3.539 3.497 332 HG12 ILE 42 HG12 ILE 42 1.230 -6.543 3.795 333 HG13 ILE 42 HG11 ILE 42 1.160 -5.456 5.172 334 HG21 ILE 42 HG21 ILE 42 0.516 -4.851 1.536 335 HG22 ILE 42 HG22 ILE 42 2.041 -5.732 1.619 336 HG23 ILE 42 HG23 ILE 42 2.038 -4.003 1.275 337 HD11 ILE 42 HD11 ILE 42 -0.898 -5.892 3.042 338 HD12 ILE 42 HD12 ILE 42 -0.922 -4.477 4.094 339 HD13 ILE 42 HD13 ILE 42 -1.051 -6.094 4.787 340 H LYS 43 HN LYS 43 4.870 -3.537 2.135 341 HA LYS 43 HA LYS 43 4.569 -0.746 3.014 342 HB2 LYS 43 HB2 LYS 43 6.856 -2.227 3.121 343 HB3 LYS 43 HB1 LYS 43 7.023 -1.451 1.552 344 HG2 LYS 43 HG2 LYS 43 6.853 0.723 2.534 345 HG3 LYS 43 HG1 LYS 43 6.457 0.031 4.109 346 HD2 LYS 43 HD2 LYS 43 8.704 -1.103 4.054 347 HD3 LYS 43 HD1 LYS 43 9.074 -0.135 2.625 348 HE2 LYS 43 HE2 LYS 43 8.713 1.909 3.915 349 HE3 LYS 43 HE1 LYS 43 8.328 0.946 5.339 350 HZ1 LYS 43 HZ1 LYS 43 10.613 1.745 5.379 351 HZ2 LYS 43 HZ2 LYS 43 10.939 0.950 3.922 352 HZ3 LYS 43 HZ3 LYS 43 10.567 0.054 5.308 353 H LEU 44 HN LEU 44 4.131 0.780 1.546 354 HA LEU 44 HA LEU 44 3.554 -0.112 -1.170 355 HB2 LEU 44 HB2 LEU 44 2.854 2.395 0.350 356 HB3 LEU 44 HB1 LEU 44 2.494 2.179 -1.351 357 HG LEU 44 HG LEU 44 1.327 -0.038 -0.405 358 HD11 LEU 44 HD11 LEU 44 0.173 0.471 1.694 359 HD12 LEU 44 HD12 LEU 44 1.108 1.959 1.844 360 HD13 LEU 44 HD13 LEU 44 1.922 0.395 1.914 361 HD21 LEU 44 HD21 LEU 44 0.251 1.634 -1.790 362 HD22 LEU 44 HD22 LEU 44 0.128 2.728 -0.413 363 HD23 LEU 44 HD23 LEU 44 -0.785 1.220 -0.424 364 H THR 45 HN THR 45 4.922 0.252 -2.781 365 HA THR 45 HA THR 45 6.907 2.404 -2.458 366 HB THR 45 HB THR 45 7.443 0.140 -4.312 367 HG1 THR 45 HG1 THR 45 7.100 -1.164 -2.640 368 HG21 THR 45 HG21 THR 45 9.169 1.764 -2.446 369 HG22 THR 45 HG22 THR 45 9.002 2.011 -4.183 370 HG23 THR 45 HG23 THR 45 9.752 0.538 -3.570 371 H HIS 46 HN HIS 46 6.908 3.974 -3.897 372 HA HIS 46 HA HIS 46 5.643 3.537 -6.518 373 HB2 HIS 46 HB2 HIS 46 4.398 4.970 -4.639 374 HB3 HIS 46 HB1 HIS 46 5.468 6.228 -5.246 375 HD1 HIS 46 HD1 HIS 46 3.325 3.608 -7.015 376 HD2 HIS 46 HD2 HIS 46 4.066 7.697 -7.010 377 HE1 HIS 46 HE1 HIS 46 1.898 4.555 -8.857 378 HE2 HIS 46 HE2 HIS 46 2.362 7.030 -8.837 379 H ASN 47 HN ASN 47 7.113 3.775 -8.049 380 HA ASN 47 HA ASN 47 8.844 4.533 -9.305 381 HB2 ASN 47 HB2 ASN 47 8.460 6.988 -7.589 382 HB3 ASN 47 HB1 ASN 47 9.608 6.918 -8.922 383 HD21 ASN 47 HD21 ASN 47 6.360 7.294 -7.988 384 HD22 ASN 47 HD22 ASN 47 5.688 7.496 -9.565 385 H GLY 48 HN GLY 48 9.288 3.112 -6.717 386 HA2 GLY 48 HA2 GLY 48 11.320 2.182 -5.965 387 HA3 GLY 48 HA1 GLY 48 12.167 3.579 -6.606 388 H LYS 49 HN LYS 49 9.762 5.036 -5.073 389 HA LYS 49 HA LYS 49 11.315 5.277 -2.590 390 HB2 LYS 49 HB2 LYS 49 9.334 7.114 -3.928 391 HB3 LYS 49 HB1 LYS 49 9.890 7.372 -2.281 392 HG2 LYS 49 HG2 LYS 49 12.191 7.538 -3.082 393 HG3 LYS 49 HG1 LYS 49 11.633 7.281 -4.736 394 HD2 LYS 49 HD2 LYS 49 10.283 9.324 -4.588 395 HD3 LYS 49 HD1 LYS 49 10.864 9.581 -2.941 396 HE2 LYS 49 HE2 LYS 49 12.719 9.346 -5.295 397 HE3 LYS 49 HE1 LYS 49 12.027 10.886 -4.787 398 HZ1 LYS 49 HZ1 LYS 49 14.205 10.577 -3.827 399 HZ2 LYS 49 HZ2 LYS 49 13.737 9.107 -3.134 400 HZ3 LYS 49 HZ3 LYS 49 13.039 10.551 -2.602 401 H THR 50 HN THR 50 10.411 5.009 -0.597 402 HA THR 50 HA THR 50 7.920 3.499 -0.553 403 HB THR 50 HB THR 50 8.590 3.210 1.931 404 HG1 THR 50 HG1 THR 50 11.192 3.767 0.989 405 HG21 THR 50 HG21 THR 50 10.210 1.420 1.331 406 HG22 THR 50 HG22 THR 50 10.247 2.052 -0.315 407 HG23 THR 50 HG23 THR 50 8.748 1.394 0.344 408 H LEU 51 HN LEU 51 6.212 3.968 0.846 409 HA LEU 51 HA LEU 51 5.932 6.827 1.433 410 HB2 LEU 51 HB2 LEU 51 3.913 4.616 1.123 411 HB3 LEU 51 HB1 LEU 51 3.491 6.236 1.649 412 HG LEU 51 HG LEU 51 4.963 5.871 -0.928 413 HD11 LEU 51 HD11 LEU 51 2.818 5.694 -2.102 414 HD12 LEU 51 HD12 LEU 51 1.992 5.538 -0.551 415 HD13 LEU 51 HD13 LEU 51 3.127 4.294 -1.076 416 HD21 LEU 51 HD21 LEU 51 4.638 8.113 0.002 417 HD22 LEU 51 HD22 LEU 51 2.895 7.851 0.008 418 HD23 LEU 51 HD23 LEU 51 3.774 7.900 -1.519 419 H ASP 52 HN ASP 52 5.605 7.613 3.443 420 HA ASP 52 HA ASP 52 6.054 5.814 5.658 421 HB2 ASP 52 HB2 ASP 52 6.321 8.684 5.159 422 HB3 ASP 52 HB1 ASP 52 5.682 8.306 6.754 423 HA PRO 53 HA PRO 53 1.725 5.321 6.603 424 HB2 PRO 53 HB2 PRO 53 2.610 4.575 9.302 425 HB3 PRO 53 HB1 PRO 53 1.773 3.600 8.087 426 HG2 PRO 53 HG2 PRO 53 4.342 3.162 8.730 427 HG3 PRO 53 HG1 PRO 53 3.714 2.899 7.093 428 HD2 PRO 53 HD2 PRO 53 5.333 5.167 8.154 429 HD3 PRO 53 HD1 PRO 53 5.421 4.346 6.582 430 H SER 54 HN SER 54 3.884 7.292 8.507 431 HA SER 54 HA SER 54 1.827 8.352 10.219 432 HB2 SER 54 HB2 SER 54 4.676 9.248 9.765 433 HB3 SER 54 HB1 SER 54 3.611 9.852 11.034 434 HG SER 54 HG SER 54 3.724 7.140 11.007 435 H LEU 55 HN LEU 55 3.248 9.268 7.157 436 HA LEU 55 HA LEU 55 2.197 11.940 7.306 437 HB2 LEU 55 HB2 LEU 55 3.859 10.391 5.381 438 HB3 LEU 55 HB1 LEU 55 3.133 11.888 4.910 439 HG LEU 55 HG LEU 55 4.801 11.784 7.381 440 HD11 LEU 55 HD11 LEU 55 6.302 10.823 5.844 441 HD12 LEU 55 HD12 LEU 55 6.718 12.536 5.907 442 HD13 LEU 55 HD13 LEU 55 5.790 11.904 4.548 443 HD21 LEU 55 HD21 LEU 55 4.238 13.945 5.359 444 HD22 LEU 55 HD22 LEU 55 5.214 14.125 6.816 445 HD23 LEU 55 HD23 LEU 55 3.489 13.788 6.948 446 H THR 56 HN THR 56 1.367 12.524 4.880 447 HA THR 56 HA THR 56 -1.081 10.915 4.589 448 HB THR 56 HB THR 56 -2.083 12.947 3.538 449 HG1 THR 56 HG1 THR 56 0.399 14.091 4.343 450 HG21 THR 56 HG21 THR 56 -2.156 14.300 5.688 451 HG22 THR 56 HG22 THR 56 -1.035 13.115 6.356 452 HG23 THR 56 HG23 THR 56 -2.635 12.609 5.812 453 H LEU 57 HN LEU 57 -1.988 10.699 2.443 454 HA LEU 57 HA LEU 57 -0.018 9.914 0.532 455 HB2 LEU 57 HB2 LEU 57 -3.023 10.017 0.466 456 HB3 LEU 57 HB1 LEU 57 -2.067 9.448 -0.889 457 HG LEU 57 HG LEU 57 -1.680 8.199 1.801 458 HD11 LEU 57 HD11 LEU 57 -3.425 6.562 1.286 459 HD12 LEU 57 HD12 LEU 57 -3.895 7.514 -0.123 460 HD13 LEU 57 HD13 LEU 57 -4.086 8.182 1.498 461 HD21 LEU 57 HD21 LEU 57 -1.570 7.068 -0.988 462 HD22 LEU 57 HD22 LEU 57 -1.070 6.270 0.503 463 HD23 LEU 57 HD23 LEU 57 -0.177 7.669 -0.090 464 H ALA 58 HN ALA 58 -2.120 12.686 0.910 465 HA ALA 58 HA ALA 58 -1.762 13.680 -1.751 466 HB1 ALA 58 HB1 ALA 58 -3.763 14.168 -0.426 467 HB2 ALA 58 HB2 ALA 58 -2.959 15.640 -0.972 468 HB3 ALA 58 HB3 ALA 58 -2.780 15.104 0.699 469 H GLU 59 HN GLU 59 0.202 13.775 1.045 470 HA GLU 59 HA GLU 59 1.476 16.297 0.412 471 HB2 GLU 59 HB2 GLU 59 1.192 14.989 2.744 472 HB3 GLU 59 HB1 GLU 59 2.783 14.400 2.280 473 HG2 GLU 59 HG2 GLU 59 3.554 16.722 2.058 474 HG3 GLU 59 HG1 GLU 59 1.968 17.281 2.587 475 H TYR 60 HN TYR 60 1.819 13.013 -0.459 476 HA TYR 60 HA TYR 60 4.594 13.281 -1.246 477 HB2 TYR 60 HB2 TYR 60 2.642 11.066 -0.973 478 HB3 TYR 60 HB1 TYR 60 3.911 10.865 -2.169 479 HD1 TYR 60 HD1 TYR 60 6.264 10.720 -1.482 480 HD2 TYR 60 HD2 TYR 60 3.145 11.083 1.392 481 HE1 TYR 60 HE1 TYR 60 7.824 10.042 0.294 482 HE2 TYR 60 HE2 TYR 60 4.698 10.405 3.172 483 HH TYR 60 HH TYR 60 6.786 9.211 3.439 484 H GLY 61 HN GLY 61 1.475 13.654 -2.636 485 HA2 GLY 61 HA2 GLY 61 1.028 14.610 -4.725 486 HA3 GLY 61 HA1 GLY 61 2.692 14.306 -5.194 487 H ILE 62 HN ILE 62 0.184 12.074 -4.008 488 HA ILE 62 HA ILE 62 0.676 10.424 -6.384 489 HB ILE 62 HB ILE 62 -0.894 9.568 -3.965 490 HG12 ILE 62 HG12 ILE 62 1.931 8.709 -4.265 491 HG13 ILE 62 HG11 ILE 62 1.662 10.360 -3.709 492 HG21 ILE 62 HG21 ILE 62 -1.145 8.223 -5.994 493 HG22 ILE 62 HG22 ILE 62 -0.308 7.324 -4.727 494 HG23 ILE 62 HG23 ILE 62 0.605 8.012 -6.070 495 HD11 ILE 62 HD11 ILE 62 1.895 8.970 -1.798 496 HD12 ILE 62 HD12 ILE 62 0.715 7.818 -2.422 497 HD13 ILE 62 HD13 ILE 62 0.196 9.426 -1.921 498 H THR 63 HN THR 63 -0.871 9.939 -7.834 499 HA THR 63 HA THR 63 -3.575 10.998 -7.351 500 HB THR 63 HB THR 63 -3.674 11.333 -9.885 501 HG1 THR 63 HG1 THR 63 -1.032 11.833 -10.120 502 HG21 THR 63 HG21 THR 63 -1.794 13.051 -8.260 503 HG22 THR 63 HG22 THR 63 -3.549 13.199 -8.313 504 HG23 THR 63 HG23 THR 63 -2.591 13.538 -9.755 505 HA PRO 64 HA PRO 64 -5.130 6.995 -8.412 506 HB2 PRO 64 HB2 PRO 64 -7.394 8.165 -9.843 507 HB3 PRO 64 HB1 PRO 64 -7.378 7.302 -8.302 508 HG2 PRO 64 HG2 PRO 64 -7.877 9.947 -8.466 509 HG3 PRO 64 HG1 PRO 64 -7.078 9.204 -7.067 510 HD2 PRO 64 HD2 PRO 64 -5.878 10.731 -9.336 511 HD3 PRO 64 HD1 PRO 64 -5.478 10.774 -7.605 512 H GLY 65 HN GLY 65 -5.121 5.500 -10.066 513 HA2 GLY 65 HA2 GLY 65 -5.317 4.834 -12.344 514 HA3 GLY 65 HA1 GLY 65 -5.016 6.497 -12.824 515 H SER 66 HN SER 66 -2.915 5.508 -10.386 516 HA SER 66 HA SER 66 -0.764 5.191 -12.351 517 HB2 SER 66 HB2 SER 66 -0.628 5.842 -9.396 518 HB3 SER 66 HB1 SER 66 0.762 5.723 -10.475 519 HG SER 66 HG SER 66 -1.314 7.431 -11.220 520 H THR 67 HN THR 67 1.012 3.687 -11.746 521 HA THR 67 HA THR 67 -0.133 1.144 -10.872 522 HB THR 67 HB THR 67 2.100 0.245 -11.784 523 HG1 THR 67 HG1 THR 67 2.670 2.770 -11.928 524 HG21 THR 67 HG21 THR 67 1.282 0.275 -14.074 525 HG22 THR 67 HG22 THR 67 0.213 1.625 -13.693 526 HG23 THR 67 HG23 THR 67 -0.061 0.048 -12.952 527 H ILE 68 HN ILE 68 0.219 0.439 -8.867 528 HA ILE 68 HA ILE 68 2.654 1.349 -7.463 529 HB ILE 68 HB ILE 68 0.103 0.566 -6.065 530 HG12 ILE 68 HG12 ILE 68 0.333 3.308 -5.792 531 HG13 ILE 68 HG11 ILE 68 0.741 3.042 -7.485 532 HG21 ILE 68 HG21 ILE 68 2.133 0.488 -4.721 533 HG22 ILE 68 HG22 ILE 68 1.084 1.805 -4.193 534 HG23 ILE 68 HG23 ILE 68 2.509 2.152 -5.173 535 HD11 ILE 68 HD11 ILE 68 -1.770 2.070 -6.137 536 HD12 ILE 68 HD12 ILE 68 -1.370 1.931 -7.850 537 HD13 ILE 68 HD13 ILE 68 -1.640 3.520 -7.135 538 H THR 69 HN THR 69 3.893 -0.139 -6.431 539 HA THR 69 HA THR 69 3.024 -2.950 -6.572 540 HB THR 69 HB THR 69 5.930 -2.273 -6.469 541 HG1 THR 69 HG1 THR 69 6.011 -1.768 -8.594 542 HG21 THR 69 HG21 THR 69 6.108 -4.310 -7.821 543 HG22 THR 69 HG22 THR 69 4.350 -4.425 -7.885 544 HG23 THR 69 HG23 THR 69 5.188 -4.607 -6.344 545 H LEU 70 HN LEU 70 2.884 -3.995 -4.695 546 HA LEU 70 HA LEU 70 3.877 -2.673 -2.282 547 HB2 LEU 70 HB2 LEU 70 2.401 -4.126 -1.051 548 HB3 LEU 70 HB1 LEU 70 1.522 -3.367 -2.361 549 HG LEU 70 HG LEU 70 2.333 -5.728 -3.500 550 HD11 LEU 70 HD11 LEU 70 1.583 -6.273 -0.633 551 HD12 LEU 70 HD12 LEU 70 3.150 -6.585 -1.380 552 HD13 LEU 70 HD13 LEU 70 1.727 -7.482 -1.907 553 HD21 LEU 70 HD21 LEU 70 -0.084 -6.421 -2.902 554 HD22 LEU 70 HD22 LEU 70 0.176 -4.992 -3.900 555 HD23 LEU 70 HD23 LEU 70 -0.192 -4.817 -2.183 556 H GLU 71 HN GLU 71 4.831 -4.005 -0.565 557 HA GLU 71 HA GLU 71 6.295 -6.358 -1.519 558 HB2 GLU 71 HB2 GLU 71 7.592 -4.054 -1.563 559 HB3 GLU 71 HB1 GLU 71 7.757 -4.363 0.160 560 HG2 GLU 71 HG2 GLU 71 8.807 -6.527 -0.352 561 HG3 GLU 71 HG1 GLU 71 8.686 -6.157 -2.072 562 H ILE 72 HN ILE 72 6.439 -7.969 -0.035 563 HA ILE 72 HA ILE 72 5.609 -7.356 2.731 564 HB ILE 72 HB ILE 72 5.136 -10.035 1.448 565 HG12 ILE 72 HG12 ILE 72 2.830 -8.203 1.725 566 HG13 ILE 72 HG11 ILE 72 3.954 -7.825 0.422 567 HG21 ILE 72 HG21 ILE 72 3.881 -8.636 3.805 568 HG22 ILE 72 HG22 ILE 72 5.056 -9.947 3.874 569 HG23 ILE 72 HG23 ILE 72 3.446 -10.241 3.216 570 HD11 ILE 72 HD11 ILE 72 2.077 -9.232 -0.301 571 HD12 ILE 72 HD12 ILE 72 2.606 -10.485 0.819 572 HD13 ILE 72 HD13 ILE 72 3.639 -10.016 -0.532 573 H LYS 73 HN LYS 73 6.741 -8.331 4.396 574 HA LYS 73 HA LYS 73 9.029 -10.016 3.627 575 HB2 LYS 73 HB2 LYS 73 8.992 -7.618 5.441 576 HB3 LYS 73 HB1 LYS 73 10.239 -8.849 5.576 577 HG2 LYS 73 HG2 LYS 73 10.900 -8.450 3.266 578 HG3 LYS 73 HG1 LYS 73 9.635 -7.230 3.111 579 HD2 LYS 73 HD2 LYS 73 10.709 -5.922 4.899 580 HD3 LYS 73 HD1 LYS 73 11.991 -7.132 4.997 581 HE2 LYS 73 HE2 LYS 73 12.589 -6.678 2.666 582 HE3 LYS 73 HE1 LYS 73 11.313 -5.464 2.576 583 HZ1 LYS 73 HZ1 LYS 73 12.446 -4.199 4.293 584 HZ2 LYS 73 HZ2 LYS 73 13.468 -4.454 2.970 585 HZ3 LYS 73 HZ3 LYS 73 13.669 -5.365 4.380 586 H LYS 74 HN LYS 74 8.954 -11.928 4.597 587 HA LYS 74 HA LYS 74 7.876 -12.092 7.325 588 HB2 LYS 74 HB2 LYS 74 7.114 -13.794 4.962 589 HB3 LYS 74 HB1 LYS 74 6.908 -14.362 6.613 590 HG2 LYS 74 HG2 LYS 74 5.452 -12.458 7.088 591 HG3 LYS 74 HG1 LYS 74 5.659 -11.890 5.430 592 HD2 LYS 74 HD2 LYS 74 4.664 -13.987 4.611 593 HD3 LYS 74 HD1 LYS 74 4.421 -14.508 6.280 594 HE2 LYS 74 HE2 LYS 74 3.271 -11.954 5.182 595 HE3 LYS 74 HE1 LYS 74 2.413 -13.492 5.118 596 HZ1 LYS 74 HZ1 LYS 74 2.548 -13.622 7.530 597 HZ2 LYS 74 HZ2 LYS 74 1.756 -12.207 7.047 598 HZ3 LYS 74 HZ3 LYS 74 3.359 -12.137 7.587 599 H LYS 75 HN LYS 75 8.998 -13.371 8.698 600 HA LYS 75 HA LYS 75 11.076 -15.120 7.572 601 HB2 LYS 75 HB2 LYS 75 11.396 -13.009 9.691 602 HB3 LYS 75 HB1 LYS 75 12.497 -14.376 9.588 603 HG2 LYS 75 HG2 LYS 75 13.086 -13.724 7.305 604 HG3 LYS 75 HG1 LYS 75 11.992 -12.347 7.421 605 HD2 LYS 75 HD2 LYS 75 13.310 -11.473 9.300 606 HD3 LYS 75 HD1 LYS 75 14.414 -12.843 9.153 607 HE2 LYS 75 HE2 LYS 75 15.464 -11.060 8.029 608 HE3 LYS 75 HE1 LYS 75 14.801 -12.092 6.764 609 HZ1 LYS 75 HZ1 LYS 75 13.555 -9.599 7.792 610 HZ2 LYS 75 HZ2 LYS 75 12.917 -10.588 6.580 611 HZ3 LYS 75 HZ3 LYS 75 14.368 -9.761 6.318 612 H GLY 76 HN GLY 76 11.133 -17.100 8.446 613 HA2 GLY 76 HA2 GLY 76 11.085 -18.589 10.328 614 HA3 GLY 76 HA1 GLY 76 9.959 -17.493 11.114 615 H GLY 77 HN GLY 77 9.733 -20.363 10.691 616 HA2 GLY 77 HA2 GLY 77 7.087 -20.730 10.273 617 HA3 GLY 77 HA1 GLY 77 7.730 -20.736 8.636 618 H LEU 78 HN LEU 78 8.510 -22.164 11.810 619 HA LEU 78 HA LEU 78 8.813 -24.761 10.463 620 HB2 LEU 78 HB2 LEU 78 10.634 -23.539 12.531 621 HB3 LEU 78 HB1 LEU 78 10.644 -25.247 12.144 622 HG LEU 78 HG LEU 78 10.914 -24.019 9.670 623 HD11 LEU 78 HD11 LEU 78 11.313 -21.871 10.757 624 HD12 LEU 78 HD12 LEU 78 12.770 -22.459 9.955 625 HD13 LEU 78 HD13 LEU 78 12.616 -22.586 11.707 626 HD21 LEU 78 HD21 LEU 78 12.043 -26.044 10.424 627 HD22 LEU 78 HD22 LEU 78 13.044 -25.091 11.520 628 HD23 LEU 78 HD23 LEU 78 13.201 -24.883 9.776 629 H GLU 79 HN GLU 79 7.704 -26.373 11.372 630 HA GLU 79 HA GLU 79 6.527 -25.906 14.028 631 HB2 GLU 79 HB2 GLU 79 5.524 -27.439 11.637 632 HB3 GLU 79 HB1 GLU 79 4.844 -27.672 13.242 633 HG2 GLU 79 HG2 GLU 79 4.234 -25.310 13.329 634 HG3 GLU 79 HG1 GLU 79 4.919 -25.074 11.722 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -11.504 10.370 -11.239 2 H2 MET 1 HT2 MET 1 -10.421 10.142 -12.518 3 H3 MET 1 HT3 MET 1 -9.847 10.607 -10.996 4 HA MET 1 HA MET 1 -11.183 8.039 -11.607 5 HB2 MET 1 HB2 MET 1 -8.284 8.804 -11.305 6 HB3 MET 1 HB1 MET 1 -8.830 7.159 -11.017 7 HG2 MET 1 HG2 MET 1 -8.053 7.215 -13.235 8 HG3 MET 1 HG1 MET 1 -9.813 7.197 -13.333 9 HE1 MET 1 HE1 MET 1 -7.933 8.052 -15.839 10 HE2 MET 1 HE2 MET 1 -8.931 9.382 -16.427 11 HE3 MET 1 HE3 MET 1 -9.691 7.908 -15.829 12 H ASP 2 HN ASP 2 -11.200 6.553 -9.864 13 HA ASP 2 HA ASP 2 -10.691 7.687 -7.205 14 HB2 ASP 2 HB2 ASP 2 -13.259 6.434 -8.176 15 HB3 ASP 2 HB1 ASP 2 -12.865 6.570 -6.466 16 H THR 3 HN THR 3 -10.255 5.186 -9.350 17 HA THR 3 HA THR 3 -9.836 3.216 -7.204 18 HB THR 3 HB THR 3 -9.791 1.544 -9.149 19 HG1 THR 3 HG1 THR 3 -11.439 2.897 -10.735 20 HG21 THR 3 HG21 THR 3 -12.363 3.005 -8.538 21 HG22 THR 3 HG22 THR 3 -11.654 1.711 -7.571 22 HG23 THR 3 HG23 THR 3 -12.235 1.375 -9.203 23 H ILE 4 HN ILE 4 -7.926 2.015 -7.162 24 HA ILE 4 HA ILE 4 -5.740 2.997 -8.872 25 HB ILE 4 HB ILE 4 -4.234 2.622 -6.832 26 HG12 ILE 4 HG12 ILE 4 -6.568 3.318 -5.129 27 HG13 ILE 4 HG11 ILE 4 -6.432 1.634 -5.633 28 HG21 ILE 4 HG21 ILE 4 -6.182 4.917 -6.922 29 HG22 ILE 4 HG22 ILE 4 -4.612 4.814 -7.721 30 HG23 ILE 4 HG23 ILE 4 -4.701 4.896 -5.962 31 HD11 ILE 4 HD11 ILE 4 -4.216 1.507 -4.648 32 HD12 ILE 4 HD12 ILE 4 -5.410 2.024 -3.457 33 HD13 ILE 4 HD13 ILE 4 -4.316 3.205 -4.180 34 H ASN 5 HN ASN 5 -3.995 1.506 -9.184 35 HA ASN 5 HA ASN 5 -4.837 -1.286 -8.819 36 HB2 ASN 5 HB2 ASN 5 -4.442 -1.459 -11.024 37 HB3 ASN 5 HB1 ASN 5 -3.759 0.152 -11.088 38 HD21 ASN 5 HD21 ASN 5 -1.649 0.378 -11.335 39 HD22 ASN 5 HD22 ASN 5 -0.523 -0.929 -11.387 40 H ILE 6 HN ILE 6 -3.562 -2.682 -7.765 41 HA ILE 6 HA ILE 6 -0.908 -1.765 -6.898 42 HB ILE 6 HB ILE 6 -2.532 -3.432 -5.023 43 HG12 ILE 6 HG12 ILE 6 -2.913 -0.893 -4.037 44 HG13 ILE 6 HG11 ILE 6 -3.147 -0.648 -5.763 45 HG21 ILE 6 HG21 ILE 6 -0.764 -1.181 -4.221 46 HG22 ILE 6 HG22 ILE 6 -0.017 -2.628 -4.896 47 HG23 ILE 6 HG23 ILE 6 -1.020 -2.749 -3.450 48 HD11 ILE 6 HD11 ILE 6 -4.866 -2.386 -5.767 49 HD12 ILE 6 HD12 ILE 6 -5.251 -1.079 -4.647 50 HD13 ILE 6 HD13 ILE 6 -4.632 -2.613 -4.035 51 H THR 7 HN THR 7 0.523 -3.109 -7.752 52 HA THR 7 HA THR 7 -0.238 -5.826 -8.435 53 HB THR 7 HB THR 7 2.552 -4.884 -8.843 54 HG1 THR 7 HG1 THR 7 1.279 -4.040 -10.951 55 HG21 THR 7 HG21 THR 7 2.269 -6.087 -10.962 56 HG22 THR 7 HG22 THR 7 0.572 -6.375 -10.573 57 HG23 THR 7 HG23 THR 7 1.841 -7.105 -9.587 58 H LEU 8 HN LEU 8 0.106 -7.495 -7.185 59 HA LEU 8 HA LEU 8 1.963 -7.270 -4.952 60 HB2 LEU 8 HB2 LEU 8 0.782 -9.389 -4.209 61 HB3 LEU 8 HB1 LEU 8 -0.147 -7.920 -4.236 62 HG LEU 8 HG LEU 8 -0.357 -9.582 -6.659 63 HD11 LEU 8 HD11 LEU 8 -1.821 -11.186 -5.683 64 HD12 LEU 8 HD12 LEU 8 -1.761 -10.382 -4.117 65 HD13 LEU 8 HD13 LEU 8 -0.332 -11.204 -4.740 66 HD21 LEU 8 HD21 LEU 8 -2.697 -8.895 -6.477 67 HD22 LEU 8 HD22 LEU 8 -1.627 -7.499 -6.366 68 HD23 LEU 8 HD23 LEU 8 -2.370 -8.159 -4.910 69 HA PRO 9 HA PRO 9 5.068 -10.075 -6.354 70 HB2 PRO 9 HB2 PRO 9 4.365 -11.961 -4.157 71 HB3 PRO 9 HB1 PRO 9 5.930 -11.249 -4.579 72 HG2 PRO 9 HG2 PRO 9 4.605 -10.340 -2.485 73 HG3 PRO 9 HG1 PRO 9 5.445 -9.218 -3.577 74 HD2 PRO 9 HD2 PRO 9 2.531 -9.828 -3.374 75 HD3 PRO 9 HD1 PRO 9 3.343 -8.275 -3.655 76 H ASP 10 HN ASP 10 1.887 -11.449 -5.760 77 HA ASP 10 HA ASP 10 2.336 -13.946 -7.022 78 HB2 ASP 10 HB2 ASP 10 -0.189 -12.372 -6.517 79 HB3 ASP 10 HB1 ASP 10 -0.190 -13.965 -7.266 80 H GLY 11 HN GLY 11 1.741 -10.742 -8.207 81 HA2 GLY 11 HA2 GLY 11 2.406 -10.202 -10.454 82 HA3 GLY 11 HA1 GLY 11 1.964 -11.825 -10.940 83 H LYS 12 HN LYS 12 -0.570 -11.068 -9.104 84 HA LYS 12 HA LYS 12 -2.087 -10.161 -11.418 85 HB2 LYS 12 HB2 LYS 12 -4.059 -10.511 -9.758 86 HB3 LYS 12 HB1 LYS 12 -3.242 -11.912 -10.430 87 HG2 LYS 12 HG2 LYS 12 -1.854 -11.968 -8.328 88 HG3 LYS 12 HG1 LYS 12 -2.965 -10.761 -7.672 89 HD2 LYS 12 HD2 LYS 12 -4.841 -12.305 -8.105 90 HD3 LYS 12 HD1 LYS 12 -3.686 -13.515 -8.669 91 HE2 LYS 12 HE2 LYS 12 -4.087 -14.119 -6.455 92 HE3 LYS 12 HE1 LYS 12 -2.569 -13.226 -6.378 93 HZ1 LYS 12 HZ1 LYS 12 -3.817 -11.265 -5.683 94 HZ2 LYS 12 HZ2 LYS 12 -4.057 -12.553 -4.614 95 HZ3 LYS 12 HZ3 LYS 12 -5.259 -12.147 -5.732 96 H THR 13 HN THR 13 -3.858 -8.527 -10.987 97 HA THR 13 HA THR 13 -2.679 -6.294 -9.489 98 HB THR 13 HB THR 13 -4.225 -4.878 -10.931 99 HG1 THR 13 HG1 THR 13 -4.267 -7.011 -12.754 100 HG21 THR 13 HG21 THR 13 -2.083 -6.512 -12.304 101 HG22 THR 13 HG22 THR 13 -1.819 -5.049 -11.352 102 HG23 THR 13 HG23 THR 13 -2.716 -4.965 -12.867 103 H LEU 14 HN LEU 14 -3.943 -4.996 -8.175 104 HA LEU 14 HA LEU 14 -6.548 -6.128 -7.388 105 HB2 LEU 14 HB2 LEU 14 -4.401 -6.175 -5.810 106 HB3 LEU 14 HB1 LEU 14 -4.927 -4.540 -5.460 107 HG LEU 14 HG LEU 14 -6.992 -6.661 -5.270 108 HD11 LEU 14 HD11 LEU 14 -4.755 -6.364 -3.273 109 HD12 LEU 14 HD12 LEU 14 -5.123 -7.791 -4.242 110 HD13 LEU 14 HD13 LEU 14 -6.251 -7.255 -2.995 111 HD21 LEU 14 HD21 LEU 14 -6.267 -4.304 -3.529 112 HD22 LEU 14 HD22 LEU 14 -7.709 -5.308 -3.380 113 HD23 LEU 14 HD23 LEU 14 -7.482 -4.301 -4.809 114 H THR 15 HN THR 15 -8.170 -4.645 -6.771 115 HA THR 15 HA THR 15 -7.655 -1.855 -7.567 116 HB THR 15 HB THR 15 -10.405 -2.976 -7.819 117 HG1 THR 15 HG1 THR 15 -8.462 -4.218 -8.967 118 HG21 THR 15 HG21 THR 15 -8.794 -0.980 -9.415 119 HG22 THR 15 HG22 THR 15 -10.018 -0.602 -8.201 120 HG23 THR 15 HG23 THR 15 -10.481 -1.395 -9.708 121 H LEU 16 HN LEU 16 -8.024 -0.404 -6.030 122 HA LEU 16 HA LEU 16 -9.928 -1.064 -3.888 123 HB2 LEU 16 HB2 LEU 16 -7.479 -1.322 -3.239 124 HB3 LEU 16 HB1 LEU 16 -7.349 0.416 -3.412 125 HG LEU 16 HG LEU 16 -9.356 0.440 -1.714 126 HD11 LEU 16 HD11 LEU 16 -9.708 -1.974 -1.713 127 HD12 LEU 16 HD12 LEU 16 -9.248 -1.392 -0.111 128 HD13 LEU 16 HD13 LEU 16 -8.062 -2.218 -1.125 129 HD21 LEU 16 HD21 LEU 16 -7.150 1.394 -1.305 130 HD22 LEU 16 HD22 LEU 16 -6.527 -0.203 -0.891 131 HD23 LEU 16 HD23 LEU 16 -7.753 0.556 0.124 132 H THR 17 HN THR 17 -11.100 0.641 -3.037 133 HA THR 17 HA THR 17 -11.116 3.058 -4.693 134 HB THR 17 HB THR 17 -13.264 2.526 -2.693 135 HG1 THR 17 HG1 THR 17 -13.934 0.771 -3.678 136 HG21 THR 17 HG21 THR 17 -13.306 4.556 -4.062 137 HG22 THR 17 HG22 THR 17 -14.667 3.504 -4.453 138 HG23 THR 17 HG23 THR 17 -13.270 3.575 -5.527 139 H VAL 18 HN VAL 18 -10.082 4.773 -3.906 140 HA VAL 18 HA VAL 18 -10.362 5.430 -1.064 141 HB VAL 18 HB VAL 18 -7.894 6.202 -1.143 142 HG11 VAL 18 HG11 VAL 18 -8.548 3.263 -1.005 143 HG12 VAL 18 HG12 VAL 18 -8.700 4.425 0.313 144 HG13 VAL 18 HG13 VAL 18 -7.111 4.033 -0.339 145 HG21 VAL 18 HG21 VAL 18 -6.447 4.791 -2.562 146 HG22 VAL 18 HG22 VAL 18 -7.489 5.863 -3.497 147 HG23 VAL 18 HG23 VAL 18 -7.888 4.152 -3.353 148 H THR 19 HN THR 19 -9.229 7.692 -0.714 149 HA THR 19 HA THR 19 -9.714 9.422 -3.041 150 HB THR 19 HB THR 19 -10.773 11.105 -1.427 151 HG1 THR 19 HG1 THR 19 -11.660 8.995 0.145 152 HG21 THR 19 HG21 THR 19 -12.102 9.957 -3.111 153 HG22 THR 19 HG22 THR 19 -13.015 10.093 -1.608 154 HG23 THR 19 HG23 THR 19 -12.271 8.557 -2.051 155 HA PRO 20 HA PRO 20 -6.070 11.611 -1.828 156 HB2 PRO 20 HB2 PRO 20 -7.507 14.192 -1.895 157 HB3 PRO 20 HB1 PRO 20 -6.140 13.641 -2.872 158 HG2 PRO 20 HG2 PRO 20 -8.567 13.869 -3.942 159 HG3 PRO 20 HG1 PRO 20 -7.478 12.544 -4.398 160 HD2 PRO 20 HD2 PRO 20 -9.820 12.502 -2.548 161 HD3 PRO 20 HD1 PRO 20 -9.321 11.310 -3.765 162 H GLU 21 HN GLU 21 -8.955 12.010 0.023 163 HA GLU 21 HA GLU 21 -7.676 13.508 2.150 164 HB2 GLU 21 HB2 GLU 21 -10.214 13.494 1.351 165 HB3 GLU 21 HB1 GLU 21 -10.323 12.201 2.539 166 HG2 GLU 21 HG2 GLU 21 -9.479 13.692 4.261 167 HG3 GLU 21 HG1 GLU 21 -9.309 14.982 3.073 168 H PHE 22 HN PHE 22 -7.670 10.335 1.197 169 HA PHE 22 HA PHE 22 -7.790 9.079 3.771 170 HB2 PHE 22 HB2 PHE 22 -7.536 8.287 0.960 171 HB3 PHE 22 HB1 PHE 22 -6.590 7.309 2.047 172 HD1 PHE 22 HD1 PHE 22 -10.017 8.733 1.805 173 HD2 PHE 22 HD2 PHE 22 -7.581 5.431 2.925 174 HE1 PHE 22 HE1 PHE 22 -12.035 7.446 2.372 175 HE2 PHE 22 HE2 PHE 22 -9.593 4.137 3.496 176 HZ PHE 22 HZ PHE 22 -11.824 5.145 3.221 177 H THR 23 HN THR 23 -6.077 8.454 5.033 178 HA THR 23 HA THR 23 -3.517 9.693 4.444 179 HB THR 23 HB THR 23 -2.894 8.686 6.725 180 HG1 THR 23 HG1 THR 23 -4.340 7.336 7.468 181 HG21 THR 23 HG21 THR 23 -4.183 10.418 7.957 182 HG22 THR 23 HG22 THR 23 -5.140 10.694 6.503 183 HG23 THR 23 HG23 THR 23 -3.410 11.033 6.497 184 H VAL 24 HN VAL 24 -1.484 8.338 4.889 185 HA VAL 24 HA VAL 24 -1.486 6.114 3.130 186 HB VAL 24 HB VAL 24 0.661 6.815 5.140 187 HG11 VAL 24 HG11 VAL 24 0.889 4.588 4.143 188 HG12 VAL 24 HG12 VAL 24 2.163 5.674 3.595 189 HG13 VAL 24 HG13 VAL 24 0.807 5.303 2.531 190 HG21 VAL 24 HG21 VAL 24 0.012 8.720 3.667 191 HG22 VAL 24 HG22 VAL 24 0.452 7.729 2.276 192 HG23 VAL 24 HG23 VAL 24 1.680 8.184 3.459 193 H LYS 25 HN LYS 25 -1.688 6.445 6.611 194 HA LYS 25 HA LYS 25 -1.321 3.694 7.238 195 HB2 LYS 25 HB2 LYS 25 -1.248 5.898 8.720 196 HB3 LYS 25 HB1 LYS 25 -2.928 5.471 9.011 197 HG2 LYS 25 HG2 LYS 25 -2.243 3.289 9.844 198 HG3 LYS 25 HG1 LYS 25 -0.554 3.692 9.523 199 HD2 LYS 25 HD2 LYS 25 -0.674 5.524 11.126 200 HD3 LYS 25 HD1 LYS 25 -2.378 5.169 11.423 201 HE2 LYS 25 HE2 LYS 25 -1.239 4.150 13.201 202 HE3 LYS 25 HE1 LYS 25 -1.597 2.833 12.086 203 HZ1 LYS 25 HZ1 LYS 25 0.679 2.736 12.919 204 HZ2 LYS 25 HZ2 LYS 25 0.999 4.263 12.266 205 HZ3 LYS 25 HZ3 LYS 25 0.649 2.963 11.243 206 H GLU 26 HN GLU 26 -4.070 5.674 6.367 207 HA GLU 26 HA GLU 26 -6.078 3.792 7.133 208 HB2 GLU 26 HB2 GLU 26 -6.150 6.408 6.547 209 HB3 GLU 26 HB1 GLU 26 -6.645 5.761 4.990 210 HG2 GLU 26 HG2 GLU 26 -8.597 4.862 5.836 211 HG3 GLU 26 HG1 GLU 26 -7.987 4.827 7.490 212 H LEU 27 HN LEU 27 -4.650 4.731 4.005 213 HA LEU 27 HA LEU 27 -6.031 2.918 2.399 214 HB2 LEU 27 HB2 LEU 27 -4.567 4.853 1.695 215 HB3 LEU 27 HB1 LEU 27 -3.184 3.818 1.992 216 HG LEU 27 HG LEU 27 -5.238 2.715 0.172 217 HD11 LEU 27 HD11 LEU 27 -3.483 5.027 -0.639 218 HD12 LEU 27 HD12 LEU 27 -5.243 5.040 -0.537 219 HD13 LEU 27 HD13 LEU 27 -4.437 4.026 -1.734 220 HD21 LEU 27 HD21 LEU 27 -3.240 2.007 -1.061 221 HD22 LEU 27 HD22 LEU 27 -3.168 1.521 0.633 222 HD23 LEU 27 HD23 LEU 27 -2.227 2.904 0.069 223 H ALA 28 HN ALA 28 -3.170 2.509 4.394 224 HA ALA 28 HA ALA 28 -2.425 -0.045 3.386 225 HB1 ALA 28 HB1 ALA 28 -0.836 1.457 4.486 226 HB2 ALA 28 HB2 ALA 28 -0.884 -0.128 5.256 227 HB3 ALA 28 HB3 ALA 28 -1.698 1.243 6.010 228 H GLU 29 HN GLU 29 -4.494 1.015 6.055 229 HA GLU 29 HA GLU 29 -4.726 -1.599 7.196 230 HB2 GLU 29 HB2 GLU 29 -6.145 -0.656 8.789 231 HB3 GLU 29 HB1 GLU 29 -5.072 0.669 8.363 232 HG2 GLU 29 HG2 GLU 29 -6.827 1.520 6.827 233 HG3 GLU 29 HG1 GLU 29 -7.900 0.256 7.430 234 H GLU 30 HN GLU 30 -6.356 0.092 4.649 235 HA GLU 30 HA GLU 30 -8.719 -1.533 4.644 236 HB2 GLU 30 HB2 GLU 30 -7.685 0.728 3.137 237 HB3 GLU 30 HB1 GLU 30 -8.447 -0.460 2.087 238 HG2 GLU 30 HG2 GLU 30 -10.121 1.081 2.671 239 HG3 GLU 30 HG1 GLU 30 -10.443 -0.372 3.613 240 H ILE 31 HN ILE 31 -5.715 -1.467 2.745 241 HA ILE 31 HA ILE 31 -6.444 -3.646 1.066 242 HB ILE 31 HB ILE 31 -4.746 -1.910 0.455 243 HG12 ILE 31 HG12 ILE 31 -3.018 -3.807 -0.318 244 HG13 ILE 31 HG11 ILE 31 -4.347 -4.840 0.199 245 HG21 ILE 31 HG21 ILE 31 -2.851 -3.476 2.193 246 HG22 ILE 31 HG22 ILE 31 -3.567 -1.934 2.659 247 HG23 ILE 31 HG23 ILE 31 -2.504 -2.022 1.256 248 HD11 ILE 31 HD11 ILE 31 -4.373 -4.278 -2.209 249 HD12 ILE 31 HD12 ILE 31 -4.626 -2.590 -1.769 250 HD13 ILE 31 HD13 ILE 31 -5.837 -3.801 -1.348 251 H ALA 32 HN ALA 32 -4.745 -3.380 4.122 252 HA ALA 32 HA ALA 32 -3.689 -6.012 4.173 253 HB1 ALA 32 HB1 ALA 32 -3.180 -5.591 6.474 254 HB2 ALA 32 HB2 ALA 32 -4.334 -4.259 6.534 255 HB3 ALA 32 HB3 ALA 32 -2.872 -4.114 5.559 256 H ARG 33 HN ARG 33 -6.697 -4.584 5.351 257 HA ARG 33 HA ARG 33 -7.587 -6.869 6.766 258 HB2 ARG 33 HB2 ARG 33 -8.390 -4.317 6.699 259 HB3 ARG 33 HB1 ARG 33 -9.598 -5.020 5.630 260 HG2 ARG 33 HG2 ARG 33 -10.280 -6.567 7.356 261 HG3 ARG 33 HG1 ARG 33 -9.006 -5.976 8.423 262 HD2 ARG 33 HD2 ARG 33 -11.135 -4.172 7.311 263 HD3 ARG 33 HD1 ARG 33 -11.351 -5.075 8.812 264 HE ARG 33 HE ARG 33 -8.921 -3.647 8.901 265 HH11 ARG 33 HH12 ARG 33 -12.367 -3.119 9.006 266 HH12 ARG 33 HH11 ARG 33 -12.246 -1.678 9.956 267 HH21 ARG 33 HH21 ARG 33 -8.755 -1.755 10.156 268 HH22 ARG 33 HH22 ARG 33 -10.192 -0.903 10.610 269 H ARG 34 HN ARG 34 -7.921 -5.860 3.424 270 HA ARG 34 HA ARG 34 -9.976 -7.736 2.792 271 HB2 ARG 34 HB2 ARG 34 -9.061 -5.484 1.602 272 HB3 ARG 34 HB1 ARG 34 -8.266 -6.705 0.616 273 HG2 ARG 34 HG2 ARG 34 -11.199 -6.879 1.176 274 HG3 ARG 34 HG1 ARG 34 -10.582 -5.819 -0.094 275 HD2 ARG 34 HD2 ARG 34 -9.731 -8.680 0.051 276 HD3 ARG 34 HD1 ARG 34 -11.271 -8.247 -0.693 277 HE ARG 34 HE ARG 34 -9.089 -6.705 -1.705 278 HH11 ARG 34 HH12 ARG 34 -10.730 -9.776 -1.994 279 HH12 ARG 34 HH11 ARG 34 -10.221 -10.035 -3.628 280 HH21 ARG 34 HH22 ARG 34 -8.420 -7.043 -3.846 281 HH22 ARG 34 HH21 ARG 34 -8.907 -8.480 -4.681 282 H LEU 35 HN LEU 35 -6.471 -7.788 2.737 283 HA LEU 35 HA LEU 35 -6.456 -10.307 1.274 284 HB2 LEU 35 HB2 LEU 35 -4.219 -8.567 2.293 285 HB3 LEU 35 HB1 LEU 35 -3.974 -10.080 1.439 286 HG LEU 35 HG LEU 35 -5.588 -7.889 0.177 287 HD11 LEU 35 HD11 LEU 35 -3.580 -7.008 -0.859 288 HD12 LEU 35 HD12 LEU 35 -2.587 -8.141 0.062 289 HD13 LEU 35 HD13 LEU 35 -3.479 -6.867 0.896 290 HD21 LEU 35 HD21 LEU 35 -3.858 -10.099 -0.929 291 HD22 LEU 35 HD22 LEU 35 -4.773 -8.931 -1.883 292 HD23 LEU 35 HD23 LEU 35 -5.621 -10.092 -0.862 293 H GLY 36 HN GLY 36 -6.412 -9.235 4.526 294 HA2 GLY 36 HA2 GLY 36 -6.632 -10.596 6.411 295 HA3 GLY 36 HA1 GLY 36 -6.184 -11.987 5.433 296 H LEU 37 HN LEU 37 -4.345 -8.993 5.683 297 HA LEU 37 HA LEU 37 -2.306 -10.400 7.264 298 HB2 LEU 37 HB2 LEU 37 -1.621 -8.546 4.997 299 HB3 LEU 37 HB1 LEU 37 -0.532 -9.558 5.919 300 HG LEU 37 HG LEU 37 -2.693 -10.869 4.332 301 HD11 LEU 37 HD11 LEU 37 -0.109 -9.824 3.180 302 HD12 LEU 37 HD12 LEU 37 -1.741 -9.306 2.749 303 HD13 LEU 37 HD13 LEU 37 -1.208 -10.947 2.379 304 HD21 LEU 37 HD21 LEU 37 -1.314 -12.206 5.823 305 HD22 LEU 37 HD22 LEU 37 0.145 -11.616 5.029 306 HD23 LEU 37 HD23 LEU 37 -0.996 -12.624 4.140 307 H SER 38 HN SER 38 -0.516 -8.644 7.826 308 HA SER 38 HA SER 38 -1.994 -6.504 9.174 309 HB2 SER 38 HB2 SER 38 0.782 -7.596 9.691 310 HB3 SER 38 HB1 SER 38 0.010 -6.316 10.626 311 HG SER 38 HG SER 38 -0.520 -8.061 11.756 312 HA PRO 39 HA PRO 39 -0.313 -3.371 6.536 313 HB2 PRO 39 HB2 PRO 39 -0.279 -1.510 8.794 314 HB3 PRO 39 HB1 PRO 39 -1.289 -1.492 7.346 315 HG2 PRO 39 HG2 PRO 39 -2.286 -2.060 9.784 316 HG3 PRO 39 HG1 PRO 39 -2.935 -2.769 8.294 317 HD2 PRO 39 HD2 PRO 39 -1.123 -3.984 10.329 318 HD3 PRO 39 HD1 PRO 39 -2.472 -4.711 9.434 319 H GLU 40 HN GLU 40 1.253 -4.185 9.527 320 HA GLU 40 HA GLU 40 3.561 -2.529 9.172 321 HB2 GLU 40 HB2 GLU 40 2.873 -4.819 10.989 322 HB3 GLU 40 HB1 GLU 40 4.494 -4.136 10.961 323 HG2 GLU 40 HG2 GLU 40 3.563 -1.941 11.536 324 HG3 GLU 40 HG1 GLU 40 1.953 -2.655 11.594 325 H ASP 41 HN ASP 41 2.540 -5.460 7.798 326 HA ASP 41 HA ASP 41 5.260 -6.349 7.174 327 HB2 ASP 41 HB2 ASP 41 2.553 -7.632 6.831 328 HB3 ASP 41 HB1 ASP 41 4.008 -8.301 6.104 329 H ILE 42 HN ILE 42 2.340 -5.137 5.640 330 HA ILE 42 HA ILE 42 3.504 -5.366 2.990 331 HB ILE 42 HB ILE 42 0.980 -3.851 3.391 332 HG12 ILE 42 HG12 ILE 42 0.990 -6.870 3.496 333 HG13 ILE 42 HG11 ILE 42 0.895 -5.878 4.942 334 HG21 ILE 42 HG21 ILE 42 1.956 -4.222 1.172 335 HG22 ILE 42 HG22 ILE 42 0.368 -4.973 1.328 336 HG23 ILE 42 HG23 ILE 42 1.824 -5.964 1.414 337 HD11 ILE 42 HD11 ILE 42 -1.108 -6.170 2.740 338 HD12 ILE 42 HD12 ILE 42 -1.140 -4.795 3.842 339 HD13 ILE 42 HD13 ILE 42 -1.310 -6.433 4.473 340 H LYS 43 HN LYS 43 4.704 -3.852 2.108 341 HA LYS 43 HA LYS 43 4.460 -1.087 3.089 342 HB2 LYS 43 HB2 LYS 43 6.684 -2.638 3.235 343 HB3 LYS 43 HB1 LYS 43 6.927 -1.874 1.669 344 HG2 LYS 43 HG2 LYS 43 6.806 0.312 2.661 345 HG3 LYS 43 HG1 LYS 43 6.404 -0.385 4.233 346 HD2 LYS 43 HD2 LYS 43 8.607 -1.612 4.111 347 HD3 LYS 43 HD1 LYS 43 8.995 -0.605 2.716 348 HE2 LYS 43 HE2 LYS 43 8.707 1.400 4.088 349 HE3 LYS 43 HE1 LYS 43 8.325 0.389 5.481 350 HZ1 LYS 43 HZ1 LYS 43 10.904 0.379 4.008 351 HZ2 LYS 43 HZ2 LYS 43 10.537 -0.559 5.366 352 HZ3 LYS 43 HZ3 LYS 43 10.631 1.125 5.503 353 H LEU 44 HN LEU 44 4.184 0.524 1.625 354 HA LEU 44 HA LEU 44 3.653 -0.309 -1.122 355 HB2 LEU 44 HB2 LEU 44 3.076 2.269 0.336 356 HB3 LEU 44 HB1 LEU 44 2.690 1.985 -1.354 357 HG LEU 44 HG LEU 44 1.627 0.077 0.674 358 HD11 LEU 44 HD11 LEU 44 -0.327 1.506 1.037 359 HD12 LEU 44 HD12 LEU 44 0.467 2.806 0.149 360 HD13 LEU 44 HD13 LEU 44 1.150 2.235 1.670 361 HD21 LEU 44 HD21 LEU 44 1.298 -0.341 -1.709 362 HD22 LEU 44 HD22 LEU 44 0.524 1.235 -1.885 363 HD23 LEU 44 HD23 LEU 44 -0.237 -0.018 -0.902 364 H THR 45 HN THR 45 4.872 0.267 -2.816 365 HA THR 45 HA THR 45 7.056 2.182 -2.359 366 HB THR 45 HB THR 45 7.494 -0.143 -4.179 367 HG1 THR 45 HG1 THR 45 8.530 -0.975 -2.016 368 HG21 THR 45 HG21 THR 45 9.816 0.162 -3.473 369 HG22 THR 45 HG22 THR 45 9.314 1.419 -2.343 370 HG23 THR 45 HG23 THR 45 9.140 1.674 -4.079 371 H HIS 46 HN HIS 46 7.217 3.734 -3.815 372 HA HIS 46 HA HIS 46 5.980 3.356 -6.454 373 HB2 HIS 46 HB2 HIS 46 4.709 4.838 -4.711 374 HB3 HIS 46 HB1 HIS 46 5.942 6.031 -5.102 375 HD1 HIS 46 HD1 HIS 46 5.686 7.304 -7.261 376 HD2 HIS 46 HD2 HIS 46 3.016 4.135 -6.931 377 HE1 HIS 46 HE1 HIS 46 4.089 7.566 -9.186 378 HE2 HIS 46 HE2 HIS 46 2.483 5.635 -8.971 379 H ASN 47 HN ASN 47 7.294 3.745 -8.075 380 HA ASN 47 HA ASN 47 9.195 4.119 -9.222 381 HB2 ASN 47 HB2 ASN 47 9.833 6.462 -9.451 382 HB3 ASN 47 HB1 ASN 47 8.089 6.283 -9.432 383 HD21 ASN 47 HD21 ASN 47 10.879 7.394 -7.647 384 HD22 ASN 47 HD22 ASN 47 10.013 8.401 -6.543 385 H GLY 48 HN GLY 48 9.716 2.917 -6.664 386 HA2 GLY 48 HA2 GLY 48 11.749 2.136 -5.810 387 HA3 GLY 48 HA1 GLY 48 12.562 3.490 -6.569 388 H LYS 49 HN LYS 49 9.786 4.124 -4.588 389 HA LYS 49 HA LYS 49 11.500 4.825 -2.309 390 HB2 LYS 49 HB2 LYS 49 9.566 6.639 -3.737 391 HB3 LYS 49 HB1 LYS 49 10.055 6.930 -2.074 392 HG2 LYS 49 HG2 LYS 49 12.390 7.083 -2.790 393 HG3 LYS 49 HG1 LYS 49 11.888 6.807 -4.461 394 HD2 LYS 49 HD2 LYS 49 10.524 8.847 -4.373 395 HD3 LYS 49 HD1 LYS 49 11.053 9.120 -2.712 396 HE2 LYS 49 HE2 LYS 49 13.374 9.277 -3.486 397 HE3 LYS 49 HE1 LYS 49 12.832 9.024 -5.144 398 HZ1 LYS 49 HZ1 LYS 49 13.191 11.365 -4.675 399 HZ2 LYS 49 HZ2 LYS 49 12.071 11.312 -3.409 400 HZ3 LYS 49 HZ3 LYS 49 11.557 11.071 -5.002 401 H THR 50 HN THR 50 10.566 4.589 -0.319 402 HA THR 50 HA THR 50 8.067 3.101 -0.271 403 HB THR 50 HB THR 50 8.667 2.943 2.247 404 HG1 THR 50 HG1 THR 50 11.309 3.345 1.423 405 HG21 THR 50 HG21 THR 50 8.845 1.041 0.773 406 HG22 THR 50 HG22 THR 50 10.295 1.118 1.775 407 HG23 THR 50 HG23 THR 50 10.354 1.657 0.097 408 H LEU 51 HN LEU 51 6.302 3.639 1.001 409 HA LEU 51 HA LEU 51 6.001 6.516 1.461 410 HB2 LEU 51 HB2 LEU 51 4.068 4.266 1.021 411 HB3 LEU 51 HB1 LEU 51 3.532 5.797 1.687 412 HG LEU 51 HG LEU 51 4.751 6.772 -0.448 413 HD11 LEU 51 HD11 LEU 51 5.630 4.636 -1.220 414 HD12 LEU 51 HD12 LEU 51 4.474 5.292 -2.379 415 HD13 LEU 51 HD13 LEU 51 3.996 3.978 -1.302 416 HD21 LEU 51 HD21 LEU 51 2.038 5.463 -0.414 417 HD22 LEU 51 HD22 LEU 51 2.583 6.609 -1.639 418 HD23 LEU 51 HD23 LEU 51 2.428 7.122 0.042 419 H ASP 52 HN ASP 52 5.586 7.385 3.421 420 HA ASP 52 HA ASP 52 5.899 5.670 5.738 421 HB2 ASP 52 HB2 ASP 52 6.294 8.503 5.115 422 HB3 ASP 52 HB1 ASP 52 5.586 8.220 6.699 423 HA PRO 53 HA PRO 53 1.492 5.391 6.430 424 HB2 PRO 53 HB2 PRO 53 2.233 4.637 9.176 425 HB3 PRO 53 HB1 PRO 53 1.365 3.707 7.952 426 HG2 PRO 53 HG2 PRO 53 3.871 3.091 8.666 427 HG3 PRO 53 HG1 PRO 53 3.279 2.874 7.008 428 HD2 PRO 53 HD2 PRO 53 5.023 5.018 8.124 429 HD3 PRO 53 HD1 PRO 53 5.102 4.197 6.552 430 H SER 54 HN SER 54 3.646 7.269 8.438 431 HA SER 54 HA SER 54 1.560 8.439 10.033 432 HB2 SER 54 HB2 SER 54 4.455 9.234 9.693 433 HB3 SER 54 HB1 SER 54 3.361 9.872 10.920 434 HG SER 54 HG SER 54 4.852 7.942 11.364 435 H LEU 55 HN LEU 55 3.137 9.238 7.019 436 HA LEU 55 HA LEU 55 2.210 11.957 7.073 437 HB2 LEU 55 HB2 LEU 55 3.876 10.286 5.265 438 HB3 LEU 55 HB1 LEU 55 3.215 11.778 4.698 439 HG LEU 55 HG LEU 55 4.757 11.780 7.247 440 HD11 LEU 55 HD11 LEU 55 6.304 10.627 5.912 441 HD12 LEU 55 HD12 LEU 55 6.788 12.319 5.819 442 HD13 LEU 55 HD13 LEU 55 5.906 11.580 4.483 443 HD21 LEU 55 HD21 LEU 55 5.324 14.041 6.522 444 HD22 LEU 55 HD22 LEU 55 3.578 13.800 6.558 445 HD23 LEU 55 HD23 LEU 55 4.438 13.785 5.019 446 H THR 56 HN THR 56 1.501 12.519 4.594 447 HA THR 56 HA THR 56 -0.989 10.994 4.213 448 HB THR 56 HB THR 56 -1.892 13.052 3.135 449 HG1 THR 56 HG1 THR 56 -0.333 14.911 4.101 450 HG21 THR 56 HG21 THR 56 -2.478 12.665 5.420 451 HG22 THR 56 HG22 THR 56 -2.089 14.376 5.253 452 HG23 THR 56 HG23 THR 56 -0.920 13.273 5.981 453 H LEU 57 HN LEU 57 -1.790 10.737 2.050 454 HA LEU 57 HA LEU 57 0.250 9.949 0.215 455 HB2 LEU 57 HB2 LEU 57 -2.747 10.091 -0.075 456 HB3 LEU 57 HB1 LEU 57 -1.673 9.379 -1.264 457 HG LEU 57 HG LEU 57 -1.580 8.358 1.541 458 HD11 LEU 57 HD11 LEU 57 -3.357 6.765 1.064 459 HD12 LEU 57 HD12 LEU 57 -3.668 7.560 -0.479 460 HD13 LEU 57 HD13 LEU 57 -3.961 8.422 1.032 461 HD21 LEU 57 HD21 LEU 57 -1.037 6.267 0.407 462 HD22 LEU 57 HD22 LEU 57 0.048 7.564 -0.092 463 HD23 LEU 57 HD23 LEU 57 -1.262 7.051 -1.157 464 H ALA 58 HN ALA 58 -1.931 12.690 0.452 465 HA ALA 58 HA ALA 58 -1.476 13.675 -2.180 466 HB1 ALA 58 HB1 ALA 58 -2.524 15.135 0.235 467 HB2 ALA 58 HB2 ALA 58 -3.496 14.198 -0.899 468 HB3 ALA 58 HB3 ALA 58 -2.666 15.656 -1.441 469 H GLU 59 HN GLU 59 0.425 13.783 0.655 470 HA GLU 59 HA GLU 59 1.756 16.273 0.008 471 HB2 GLU 59 HB2 GLU 59 1.393 15.024 2.355 472 HB3 GLU 59 HB1 GLU 59 2.976 14.376 1.938 473 HG2 GLU 59 HG2 GLU 59 3.835 16.656 1.704 474 HG3 GLU 59 HG1 GLU 59 2.253 17.291 2.149 475 H TYR 60 HN TYR 60 2.054 12.961 -0.780 476 HA TYR 60 HA TYR 60 4.846 13.147 -1.533 477 HB2 TYR 60 HB2 TYR 60 2.819 10.978 -1.295 478 HB3 TYR 60 HB1 TYR 60 4.173 10.732 -2.381 479 HD1 TYR 60 HD1 TYR 60 6.473 10.605 -1.498 480 HD2 TYR 60 HD2 TYR 60 3.116 11.002 1.088 481 HE1 TYR 60 HE1 TYR 60 7.869 9.939 0.415 482 HE2 TYR 60 HE2 TYR 60 4.501 10.338 3.003 483 HH TYR 60 HH TYR 60 6.517 9.242 3.523 484 H GLY 61 HN GLY 61 1.744 13.545 -2.956 485 HA2 GLY 61 HA2 GLY 61 1.364 14.485 -5.078 486 HA3 GLY 61 HA1 GLY 61 2.998 14.034 -5.545 487 H ILE 62 HN ILE 62 0.348 12.061 -4.227 488 HA ILE 62 HA ILE 62 0.608 10.338 -6.602 489 HB ILE 62 HB ILE 62 -0.630 9.502 -3.991 490 HG12 ILE 62 HG12 ILE 62 2.081 8.533 -4.615 491 HG13 ILE 62 HG11 ILE 62 1.987 10.238 -4.184 492 HG21 ILE 62 HG21 ILE 62 0.532 7.927 -6.285 493 HG22 ILE 62 HG22 ILE 62 -1.185 8.150 -5.946 494 HG23 ILE 62 HG23 ILE 62 -0.170 7.248 -4.818 495 HD11 ILE 62 HD11 ILE 62 0.923 7.961 -2.534 496 HD12 ILE 62 HD12 ILE 62 0.901 9.668 -2.097 497 HD13 ILE 62 HD13 ILE 62 2.438 8.818 -2.251 498 H THR 63 HN THR 63 -1.124 9.851 -7.825 499 HA THR 63 HA THR 63 -3.736 10.934 -7.006 500 HB THR 63 HB THR 63 -4.153 11.236 -9.513 501 HG1 THR 63 HG1 THR 63 -2.049 11.650 -10.617 502 HG21 THR 63 HG21 THR 63 -3.806 13.122 -7.993 503 HG22 THR 63 HG22 THR 63 -3.047 13.429 -9.556 504 HG23 THR 63 HG23 THR 63 -2.059 12.955 -8.174 505 HA PRO 64 HA PRO 64 -5.426 6.925 -7.799 506 HB2 PRO 64 HB2 PRO 64 -7.814 8.067 -9.037 507 HB3 PRO 64 HB1 PRO 64 -7.653 7.243 -7.483 508 HG2 PRO 64 HG2 PRO 64 -8.160 9.884 -7.665 509 HG3 PRO 64 HG1 PRO 64 -7.233 9.173 -6.331 510 HD2 PRO 64 HD2 PRO 64 -6.253 10.647 -8.735 511 HD3 PRO 64 HD1 PRO 64 -5.683 10.715 -7.052 512 H GLY 65 HN GLY 65 -5.320 5.415 -9.386 513 HA2 GLY 65 HA2 GLY 65 -5.725 4.632 -11.608 514 HA3 GLY 65 HA1 GLY 65 -5.616 6.291 -12.176 515 H SER 66 HN SER 66 -3.226 5.470 -9.914 516 HA SER 66 HA SER 66 -1.238 5.298 -12.066 517 HB2 SER 66 HB2 SER 66 -1.075 7.158 -10.355 518 HB3 SER 66 HB1 SER 66 -0.717 5.919 -9.152 519 HG SER 66 HG SER 66 0.838 6.871 -11.258 520 H THR 67 HN THR 67 0.662 3.920 -11.661 521 HA THR 67 HA THR 67 -0.190 1.314 -10.710 522 HB THR 67 HB THR 67 2.113 0.628 -11.609 523 HG1 THR 67 HG1 THR 67 3.179 2.111 -12.854 524 HG21 THR 67 HG21 THR 67 -0.001 0.268 -12.819 525 HG22 THR 67 HG22 THR 67 1.334 0.628 -13.914 526 HG23 THR 67 HG23 THR 67 0.145 1.874 -13.532 527 H ILE 68 HN ILE 68 0.252 0.590 -8.728 528 HA ILE 68 HA ILE 68 2.628 1.651 -7.340 529 HB ILE 68 HB ILE 68 0.135 0.821 -5.874 530 HG12 ILE 68 HG12 ILE 68 0.682 3.706 -6.089 531 HG13 ILE 68 HG11 ILE 68 0.157 2.951 -7.590 532 HG21 ILE 68 HG21 ILE 68 1.109 2.184 -4.077 533 HG22 ILE 68 HG22 ILE 68 2.498 2.533 -5.108 534 HG23 ILE 68 HG23 ILE 68 2.188 0.880 -4.573 535 HD11 ILE 68 HD11 ILE 68 -1.312 2.882 -4.965 536 HD12 ILE 68 HD12 ILE 68 -1.843 2.118 -6.464 537 HD13 ILE 68 HD13 ILE 68 -1.719 3.876 -6.365 538 H THR 69 HN THR 69 4.017 0.162 -6.627 539 HA THR 69 HA THR 69 3.202 -2.652 -6.707 540 HB THR 69 HB THR 69 5.852 -2.843 -6.580 541 HG1 THR 69 HG1 THR 69 5.394 -0.303 -7.789 542 HG21 THR 69 HG21 THR 69 5.899 -2.919 -9.047 543 HG22 THR 69 HG22 THR 69 4.320 -2.136 -9.085 544 HG23 THR 69 HG23 THR 69 4.489 -3.747 -8.387 545 H LEU 70 HN LEU 70 3.207 -3.824 -4.864 546 HA LEU 70 HA LEU 70 4.147 -2.469 -2.435 547 HB2 LEU 70 HB2 LEU 70 2.703 -3.966 -1.189 548 HB3 LEU 70 HB1 LEU 70 1.799 -3.132 -2.439 549 HG LEU 70 HG LEU 70 2.545 -5.466 -3.691 550 HD11 LEU 70 HD11 LEU 70 3.369 -6.434 -1.634 551 HD12 LEU 70 HD12 LEU 70 1.895 -7.259 -2.143 552 HD13 LEU 70 HD13 LEU 70 1.840 -6.086 -0.829 553 HD21 LEU 70 HD21 LEU 70 0.053 -4.546 -2.311 554 HD22 LEU 70 HD22 LEU 70 0.116 -6.126 -3.086 555 HD23 LEU 70 HD23 LEU 70 0.394 -4.670 -4.037 556 H GLU 71 HN GLU 71 5.117 -3.799 -0.743 557 HA GLU 71 HA GLU 71 6.543 -6.178 -1.673 558 HB2 GLU 71 HB2 GLU 71 7.841 -3.663 -0.634 559 HB3 GLU 71 HB1 GLU 71 8.637 -5.225 -0.524 560 HG2 GLU 71 HG2 GLU 71 8.495 -5.450 -2.965 561 HG3 GLU 71 HG1 GLU 71 7.746 -3.856 -3.051 562 H ILE 72 HN ILE 72 7.030 -7.643 -0.055 563 HA ILE 72 HA ILE 72 6.224 -6.908 2.682 564 HB ILE 72 HB ILE 72 5.751 -9.675 1.597 565 HG12 ILE 72 HG12 ILE 72 3.249 -8.533 1.740 566 HG13 ILE 72 HG11 ILE 72 4.214 -7.238 1.040 567 HG21 ILE 72 HG21 ILE 72 4.553 -8.142 3.899 568 HG22 ILE 72 HG22 ILE 72 5.783 -9.398 4.015 569 HG23 ILE 72 HG23 ILE 72 4.162 -9.803 3.452 570 HD11 ILE 72 HD11 ILE 72 4.064 -10.043 -0.039 571 HD12 ILE 72 HD12 ILE 72 4.895 -8.669 -0.769 572 HD13 ILE 72 HD13 ILE 72 3.136 -8.669 -0.644 573 H LYS 73 HN LYS 73 7.389 -7.853 4.349 574 HA LYS 73 HA LYS 73 9.870 -9.197 3.518 575 HB2 LYS 73 HB2 LYS 73 10.823 -8.320 5.669 576 HB3 LYS 73 HB1 LYS 73 10.408 -7.083 4.491 577 HG2 LYS 73 HG2 LYS 73 8.324 -7.756 6.470 578 HG3 LYS 73 HG1 LYS 73 9.757 -6.928 7.080 579 HD2 LYS 73 HD2 LYS 73 9.409 -5.271 5.174 580 HD3 LYS 73 HD1 LYS 73 7.814 -6.000 4.981 581 HE2 LYS 73 HE2 LYS 73 7.462 -5.535 7.445 582 HE3 LYS 73 HE1 LYS 73 8.918 -4.546 7.368 583 HZ1 LYS 73 HZ1 LYS 73 6.864 -3.257 7.085 584 HZ2 LYS 73 HZ2 LYS 73 6.508 -4.134 5.682 585 HZ3 LYS 73 HZ3 LYS 73 7.879 -3.144 5.734 586 H LYS 74 HN LYS 74 10.641 -10.938 4.737 587 HA LYS 74 HA LYS 74 8.541 -12.350 6.206 588 HB2 LYS 74 HB2 LYS 74 11.094 -13.258 4.889 589 HB3 LYS 74 HB1 LYS 74 10.175 -14.303 5.964 590 HG2 LYS 74 HG2 LYS 74 8.238 -14.134 4.501 591 HG3 LYS 74 HG1 LYS 74 9.132 -13.049 3.434 592 HD2 LYS 74 HD2 LYS 74 10.762 -14.823 3.002 593 HD3 LYS 74 HD1 LYS 74 9.861 -15.906 4.068 594 HE2 LYS 74 HE2 LYS 74 7.912 -15.720 2.600 595 HE3 LYS 74 HE1 LYS 74 8.817 -14.644 1.536 596 HZ1 LYS 74 HZ1 LYS 74 8.807 -16.908 0.702 597 HZ2 LYS 74 HZ2 LYS 74 9.510 -17.469 2.133 598 HZ3 LYS 74 HZ3 LYS 74 10.380 -16.438 1.114 599 H LYS 75 HN LYS 75 9.029 -13.455 8.177 600 HA LYS 75 HA LYS 75 11.003 -12.010 9.794 601 HB2 LYS 75 HB2 LYS 75 8.533 -13.582 10.505 602 HB3 LYS 75 HB1 LYS 75 9.716 -13.108 11.715 603 HG2 LYS 75 HG2 LYS 75 9.347 -10.760 11.170 604 HG3 LYS 75 HG1 LYS 75 8.173 -11.229 9.937 605 HD2 LYS 75 HD2 LYS 75 6.785 -12.275 11.670 606 HD3 LYS 75 HD1 LYS 75 7.956 -11.785 12.896 607 HE2 LYS 75 HE2 LYS 75 6.272 -10.160 12.999 608 HE3 LYS 75 HE1 LYS 75 7.564 -9.403 12.073 609 HZ1 LYS 75 HZ1 LYS 75 6.380 -9.926 10.039 610 HZ2 LYS 75 HZ2 LYS 75 5.393 -9.023 11.072 611 HZ3 LYS 75 HZ3 LYS 75 5.150 -10.689 10.915 612 H GLY 76 HN GLY 76 12.554 -13.084 11.007 613 HA2 GLY 76 HA2 GLY 76 13.205 -15.334 11.935 614 HA3 GLY 76 HA1 GLY 76 12.918 -15.931 10.307 615 H GLY 77 HN GLY 77 14.641 -16.130 9.054 616 HA2 GLY 77 HA2 GLY 77 16.855 -14.235 9.337 617 HA3 GLY 77 HA1 GLY 77 17.210 -15.939 9.575 618 H LEU 78 HN LEU 78 17.258 -17.322 7.828 619 HA LEU 78 HA LEU 78 17.438 -15.988 5.225 620 HB2 LEU 78 HB2 LEU 78 18.461 -18.645 6.219 621 HB3 LEU 78 HB1 LEU 78 18.571 -18.135 4.545 622 HG LEU 78 HG LEU 78 19.719 -16.367 6.660 623 HD11 LEU 78 HD11 LEU 78 21.057 -18.840 5.575 624 HD12 LEU 78 HD12 LEU 78 20.574 -18.559 7.248 625 HD13 LEU 78 HD13 LEU 78 21.847 -17.578 6.521 626 HD21 LEU 78 HD21 LEU 78 19.635 -15.599 4.350 627 HD22 LEU 78 HD22 LEU 78 20.517 -17.034 3.829 628 HD23 LEU 78 HD23 LEU 78 21.302 -15.847 4.869 629 H GLU 79 HN GLU 79 15.957 -18.794 6.798 630 HA GLU 79 HA GLU 79 13.991 -18.904 4.608 631 HB2 GLU 79 HB2 GLU 79 15.794 -20.835 4.891 632 HB3 GLU 79 HB1 GLU 79 14.666 -21.385 6.123 633 HG2 GLU 79 HG2 GLU 79 12.883 -21.481 4.474 634 HG3 GLU 79 HG1 GLU 79 13.983 -20.886 3.233 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -11.068 10.366 -12.889 2 H2 MET 1 HT2 MET 1 -10.004 9.948 -14.136 3 H3 MET 1 HT3 MET 1 -9.417 10.704 -12.740 4 HA MET 1 HA MET 1 -10.640 8.013 -12.860 5 HB2 MET 1 HB2 MET 1 -7.773 8.928 -12.604 6 HB3 MET 1 HB1 MET 1 -8.298 7.297 -12.203 7 HG2 MET 1 HG2 MET 1 -9.014 6.921 -14.475 8 HG3 MET 1 HG1 MET 1 -8.628 8.589 -14.902 9 HE1 MET 1 HE1 MET 1 -7.121 7.662 -16.985 10 HE2 MET 1 HE2 MET 1 -7.596 6.033 -16.501 11 HE3 MET 1 HE3 MET 1 -5.896 6.412 -16.770 12 H ASP 2 HN ASP 2 -10.772 6.924 -10.906 13 HA ASP 2 HA ASP 2 -10.194 8.460 -8.474 14 HB2 ASP 2 HB2 ASP 2 -12.827 7.201 -9.239 15 HB3 ASP 2 HB1 ASP 2 -12.417 7.576 -7.568 16 H THR 3 HN THR 3 -10.117 5.538 -10.174 17 HA THR 3 HA THR 3 -9.661 3.981 -7.720 18 HB THR 3 HB THR 3 -9.859 1.981 -9.306 19 HG1 THR 3 HG1 THR 3 -10.389 2.360 -11.333 20 HG21 THR 3 HG21 THR 3 -12.317 2.038 -9.266 21 HG22 THR 3 HG22 THR 3 -12.267 3.762 -8.901 22 HG23 THR 3 HG23 THR 3 -11.632 2.597 -7.739 23 H ILE 4 HN ILE 4 -7.891 2.508 -7.652 24 HA ILE 4 HA ILE 4 -5.698 3.137 -9.515 25 HB ILE 4 HB ILE 4 -4.145 2.736 -7.528 26 HG12 ILE 4 HG12 ILE 4 -6.416 3.656 -5.809 27 HG13 ILE 4 HG11 ILE 4 -6.261 1.938 -6.157 28 HG21 ILE 4 HG21 ILE 4 -4.444 4.918 -8.543 29 HG22 ILE 4 HG22 ILE 4 -4.313 5.073 -6.790 30 HG23 ILE 4 HG23 ILE 4 -5.889 5.194 -7.571 31 HD11 ILE 4 HD11 ILE 4 -4.154 3.668 -4.885 32 HD12 ILE 4 HD12 ILE 4 -4.021 1.940 -5.212 33 HD13 ILE 4 HD13 ILE 4 -5.207 2.529 -4.048 34 H ASN 5 HN ASN 5 -4.018 1.471 -9.610 35 HA ASN 5 HA ASN 5 -5.201 -1.203 -9.317 36 HB2 ASN 5 HB2 ASN 5 -4.612 -1.416 -11.479 37 HB3 ASN 5 HB1 ASN 5 -3.746 0.106 -11.446 38 HD21 ASN 5 HD21 ASN 5 -1.607 0.099 -11.456 39 HD22 ASN 5 HD22 ASN 5 -0.636 -1.329 -11.456 40 H ILE 6 HN ILE 6 -4.288 -2.661 -8.011 41 HA ILE 6 HA ILE 6 -1.798 -1.888 -6.651 42 HB ILE 6 HB ILE 6 -3.577 -4.092 -5.667 43 HG12 ILE 6 HG12 ILE 6 -5.068 -2.154 -6.000 44 HG13 ILE 6 HG11 ILE 6 -4.842 -2.511 -4.293 45 HG21 ILE 6 HG21 ILE 6 -1.734 -2.152 -4.286 46 HG22 ILE 6 HG22 ILE 6 -1.401 -3.847 -4.643 47 HG23 ILE 6 HG23 ILE 6 -2.667 -3.421 -3.490 48 HD11 ILE 6 HD11 ILE 6 -3.195 -0.680 -4.170 49 HD12 ILE 6 HD12 ILE 6 -4.806 -0.139 -4.640 50 HD13 ILE 6 HD13 ILE 6 -3.539 -0.299 -5.857 51 H THR 7 HN THR 7 -0.078 -2.799 -7.580 52 HA THR 7 HA THR 7 -0.330 -5.451 -8.784 53 HB THR 7 HB THR 7 2.213 -3.873 -8.866 54 HG1 THR 7 HG1 THR 7 -0.169 -2.976 -9.740 55 HG21 THR 7 HG21 THR 7 0.805 -5.650 -10.865 56 HG22 THR 7 HG22 THR 7 2.133 -6.139 -9.814 57 HG23 THR 7 HG23 THR 7 2.402 -4.927 -11.067 58 H LEU 8 HN LEU 8 0.052 -7.134 -7.519 59 HA LEU 8 HA LEU 8 1.818 -6.867 -5.217 60 HB2 LEU 8 HB2 LEU 8 -0.596 -8.196 -5.768 61 HB3 LEU 8 HB1 LEU 8 0.601 -9.439 -5.584 62 HG LEU 8 HG LEU 8 1.190 -8.057 -3.392 63 HD11 LEU 8 HD11 LEU 8 -0.404 -6.281 -3.794 64 HD12 LEU 8 HD12 LEU 8 -0.867 -7.198 -2.360 65 HD13 LEU 8 HD13 LEU 8 -1.721 -7.451 -3.883 66 HD21 LEU 8 HD21 LEU 8 0.567 -10.399 -3.435 67 HD22 LEU 8 HD22 LEU 8 -1.129 -9.967 -3.661 68 HD23 LEU 8 HD23 LEU 8 -0.307 -9.561 -2.154 69 HA PRO 9 HA PRO 9 5.020 -9.335 -7.099 70 HB2 PRO 9 HB2 PRO 9 5.468 -10.892 -4.675 71 HB3 PRO 9 HB1 PRO 9 6.483 -9.632 -5.390 72 HG2 PRO 9 HG2 PRO 9 5.162 -9.284 -3.056 73 HG3 PRO 9 HG1 PRO 9 5.523 -7.957 -4.177 74 HD2 PRO 9 HD2 PRO 9 2.959 -9.436 -3.773 75 HD3 PRO 9 HD1 PRO 9 3.237 -7.702 -4.041 76 H ASP 10 HN ASP 10 2.125 -10.637 -6.109 77 HA ASP 10 HA ASP 10 2.806 -13.419 -6.654 78 HB2 ASP 10 HB2 ASP 10 0.300 -12.019 -5.743 79 HB3 ASP 10 HB1 ASP 10 0.280 -13.708 -6.244 80 H GLY 11 HN GLY 11 1.661 -10.667 -8.315 81 HA2 GLY 11 HA2 GLY 11 1.615 -10.628 -10.700 82 HA3 GLY 11 HA1 GLY 11 1.187 -12.329 -10.688 83 H LYS 12 HN LYS 12 -0.628 -10.731 -8.376 84 HA LYS 12 HA LYS 12 -2.881 -10.526 -10.257 85 HB2 LYS 12 HB2 LYS 12 -4.318 -10.796 -8.199 86 HB3 LYS 12 HB1 LYS 12 -3.370 -12.204 -8.651 87 HG2 LYS 12 HG2 LYS 12 -1.725 -11.644 -6.923 88 HG3 LYS 12 HG1 LYS 12 -2.702 -10.247 -6.462 89 HD2 LYS 12 HD2 LYS 12 -4.573 -11.756 -5.931 90 HD3 LYS 12 HD1 LYS 12 -3.561 -13.139 -6.349 91 HE2 LYS 12 HE2 LYS 12 -1.986 -12.494 -4.570 92 HE3 LYS 12 HE1 LYS 12 -3.048 -11.155 -4.135 93 HZ1 LYS 12 HZ1 LYS 12 -3.773 -14.034 -4.028 94 HZ2 LYS 12 HZ2 LYS 12 -4.786 -12.747 -3.607 95 HZ3 LYS 12 HZ3 LYS 12 -3.396 -13.063 -2.695 96 H THR 13 HN THR 13 -4.287 -8.780 -10.154 97 HA THR 13 HA THR 13 -3.197 -6.431 -8.753 98 HB THR 13 HB THR 13 -4.389 -5.106 -10.569 99 HG1 THR 13 HG1 THR 13 -5.690 -6.501 -11.613 100 HG21 THR 13 HG21 THR 13 -2.131 -6.946 -11.371 101 HG22 THR 13 HG22 THR 13 -1.964 -5.406 -10.530 102 HG23 THR 13 HG23 THR 13 -2.569 -5.445 -12.187 103 H LEU 14 HN LEU 14 -4.564 -5.032 -7.709 104 HA LEU 14 HA LEU 14 -7.360 -5.908 -7.387 105 HB2 LEU 14 HB2 LEU 14 -5.627 -6.201 -5.427 106 HB3 LEU 14 HB1 LEU 14 -5.898 -4.484 -5.201 107 HG LEU 14 HG LEU 14 -8.343 -6.129 -5.379 108 HD11 LEU 14 HD11 LEU 14 -6.939 -7.645 -4.111 109 HD12 LEU 14 HD12 LEU 14 -8.146 -6.905 -3.060 110 HD13 LEU 14 HD13 LEU 14 -6.477 -6.336 -3.021 111 HD21 LEU 14 HD21 LEU 14 -9.020 -4.668 -3.536 112 HD22 LEU 14 HD22 LEU 14 -8.412 -3.738 -4.905 113 HD23 LEU 14 HD23 LEU 14 -7.398 -3.981 -3.483 114 H THR 15 HN THR 15 -8.924 -4.256 -7.076 115 HA THR 15 HA THR 15 -7.999 -1.584 -7.906 116 HB THR 15 HB THR 15 -10.842 -1.953 -8.249 117 HG1 THR 15 HG1 THR 15 -9.183 -4.022 -9.047 118 HG21 THR 15 HG21 THR 15 -9.343 -0.245 -9.309 119 HG22 THR 15 HG22 THR 15 -10.385 -1.106 -10.444 120 HG23 THR 15 HG23 THR 15 -8.679 -1.538 -10.311 121 H LEU 16 HN LEU 16 -8.138 -0.050 -6.422 122 HA LEU 16 HA LEU 16 -10.309 -0.165 -4.444 123 HB2 LEU 16 HB2 LEU 16 -7.976 -0.952 -3.616 124 HB3 LEU 16 HB1 LEU 16 -7.560 0.750 -3.665 125 HG LEU 16 HG LEU 16 -9.732 1.002 -2.190 126 HD11 LEU 16 HD11 LEU 16 -8.895 -1.850 -1.687 127 HD12 LEU 16 HD12 LEU 16 -10.450 -1.298 -2.310 128 HD13 LEU 16 HD13 LEU 16 -9.976 -0.914 -0.654 129 HD21 LEU 16 HD21 LEU 16 -8.323 0.774 -0.183 130 HD22 LEU 16 HD22 LEU 16 -7.513 1.653 -1.481 131 HD23 LEU 16 HD23 LEU 16 -7.093 -0.030 -1.158 132 H THR 17 HN THR 17 -10.869 1.897 -3.512 133 HA THR 17 HA THR 17 -10.403 4.091 -5.383 134 HB THR 17 HB THR 17 -12.277 4.393 -3.085 135 HG1 THR 17 HG1 THR 17 -13.794 3.327 -4.824 136 HG21 THR 17 HG21 THR 17 -13.612 5.560 -4.791 137 HG22 THR 17 HG22 THR 17 -12.406 5.138 -6.008 138 HG23 THR 17 HG23 THR 17 -11.977 6.213 -4.678 139 H VAL 18 HN VAL 18 -9.356 5.954 -4.852 140 HA VAL 18 HA VAL 18 -8.234 6.097 -2.128 141 HB VAL 18 HB VAL 18 -6.498 7.639 -3.302 142 HG11 VAL 18 HG11 VAL 18 -6.548 4.645 -3.570 143 HG12 VAL 18 HG12 VAL 18 -5.824 5.606 -2.281 144 HG13 VAL 18 HG13 VAL 18 -5.124 5.629 -3.900 145 HG21 VAL 18 HG21 VAL 18 -7.486 6.017 -5.646 146 HG22 VAL 18 HG22 VAL 18 -6.031 7.014 -5.626 147 HG23 VAL 18 HG23 VAL 18 -7.618 7.766 -5.458 148 H THR 19 HN THR 19 -8.096 8.081 -1.090 149 HA THR 19 HA THR 19 -9.461 10.356 -2.338 150 HB THR 19 HB THR 19 -10.531 10.817 -0.053 151 HG1 THR 19 HG1 THR 19 -9.332 9.175 1.078 152 HG21 THR 19 HG21 THR 19 -11.485 8.437 -1.653 153 HG22 THR 19 HG22 THR 19 -11.835 10.129 -2.000 154 HG23 THR 19 HG23 THR 19 -12.466 9.380 -0.533 155 HA PRO 20 HA PRO 20 -6.156 12.689 -0.553 156 HB2 PRO 20 HB2 PRO 20 -7.873 14.985 -0.051 157 HB3 PRO 20 HB1 PRO 20 -6.634 14.776 -1.294 158 HG2 PRO 20 HG2 PRO 20 -9.281 14.902 -1.867 159 HG3 PRO 20 HG1 PRO 20 -8.110 14.001 -2.849 160 HD2 PRO 20 HD2 PRO 20 -10.050 12.983 -0.823 161 HD3 PRO 20 HD1 PRO 20 -9.574 12.288 -2.386 162 H GLU 21 HN GLU 21 -8.884 11.879 1.274 163 HA GLU 21 HA GLU 21 -7.868 13.155 3.703 164 HB2 GLU 21 HB2 GLU 21 -10.383 13.060 2.843 165 HB3 GLU 21 HB1 GLU 21 -10.364 11.532 3.712 166 HG2 GLU 21 HG2 GLU 21 -9.683 12.688 5.746 167 HG3 GLU 21 HG1 GLU 21 -9.671 14.221 4.875 168 H PHE 22 HN PHE 22 -7.647 10.224 2.073 169 HA PHE 22 HA PHE 22 -7.518 8.551 4.429 170 HB2 PHE 22 HB2 PHE 22 -7.757 8.127 1.604 171 HB3 PHE 22 HB1 PHE 22 -6.374 7.242 2.194 172 HD1 PHE 22 HD2 PHE 22 -9.974 7.826 2.893 173 HD2 PHE 22 HD1 PHE 22 -6.664 5.168 3.167 174 HE1 PHE 22 HE2 PHE 22 -11.471 6.054 3.713 175 HE2 PHE 22 HE1 PHE 22 -8.154 3.390 3.986 176 HZ PHE 22 HZ PHE 22 -10.561 3.833 4.261 177 H THR 23 HN THR 23 -5.709 7.858 5.432 178 HA THR 23 HA THR 23 -3.206 9.157 4.670 179 HB THR 23 HB THR 23 -2.401 8.097 6.876 180 HG1 THR 23 HG1 THR 23 -4.099 6.616 7.172 181 HG21 THR 23 HG21 THR 23 -4.559 10.203 6.806 182 HG22 THR 23 HG22 THR 23 -2.812 10.446 6.769 183 HG23 THR 23 HG23 THR 23 -3.589 9.846 8.235 184 H VAL 24 HN VAL 24 -1.179 7.721 4.981 185 HA VAL 24 HA VAL 24 -1.361 5.556 3.162 186 HB VAL 24 HB VAL 24 0.926 6.076 5.067 187 HG11 VAL 24 HG11 VAL 24 0.899 4.817 2.324 188 HG12 VAL 24 HG12 VAL 24 0.958 3.926 3.845 189 HG13 VAL 24 HG13 VAL 24 2.292 4.988 3.394 190 HG21 VAL 24 HG21 VAL 24 0.406 7.294 2.356 191 HG22 VAL 24 HG22 VAL 24 1.897 7.464 3.284 192 HG23 VAL 24 HG23 VAL 24 0.391 8.140 3.904 193 H LYS 25 HN LYS 25 -1.391 5.800 6.646 194 HA LYS 25 HA LYS 25 -1.050 3.025 7.201 195 HB2 LYS 25 HB2 LYS 25 -0.787 5.143 8.727 196 HB3 LYS 25 HB1 LYS 25 -2.500 4.891 9.035 197 HG2 LYS 25 HG2 LYS 25 -2.043 2.651 9.854 198 HG3 LYS 25 HG1 LYS 25 -0.325 2.864 9.505 199 HD2 LYS 25 HD2 LYS 25 -0.234 4.719 11.097 200 HD3 LYS 25 HD1 LYS 25 -1.951 4.507 11.445 201 HE2 LYS 25 HE2 LYS 25 -1.505 2.249 12.268 202 HE3 LYS 25 HE1 LYS 25 0.211 2.458 11.915 203 HZ1 LYS 25 HZ1 LYS 25 -1.364 4.069 13.851 204 HZ2 LYS 25 HZ2 LYS 25 0.282 4.267 13.514 205 HZ3 LYS 25 HZ3 LYS 25 -0.266 2.845 14.248 206 H GLU 26 HN GLU 26 -3.808 5.126 6.656 207 HA GLU 26 HA GLU 26 -5.787 3.225 7.433 208 HB2 GLU 26 HB2 GLU 26 -5.818 5.901 7.017 209 HB3 GLU 26 HB1 GLU 26 -6.546 5.339 5.517 210 HG2 GLU 26 HG2 GLU 26 -8.344 4.335 6.641 211 HG3 GLU 26 HG1 GLU 26 -7.528 4.424 8.199 212 H LEU 27 HN LEU 27 -4.630 4.402 4.258 213 HA LEU 27 HA LEU 27 -6.181 2.703 2.684 214 HB2 LEU 27 HB2 LEU 27 -4.771 4.690 1.976 215 HB3 LEU 27 HB1 LEU 27 -3.392 3.612 2.024 216 HG LEU 27 HG LEU 27 -4.852 2.148 0.400 217 HD11 LEU 27 HD11 LEU 27 -6.002 4.906 0.015 218 HD12 LEU 27 HD12 LEU 27 -6.868 3.467 0.553 219 HD13 LEU 27 HD13 LEU 27 -6.226 3.548 -1.087 220 HD21 LEU 27 HD21 LEU 27 -2.706 3.099 -0.197 221 HD22 LEU 27 HD22 LEU 27 -3.448 4.677 -0.452 222 HD23 LEU 27 HD23 LEU 27 -3.854 3.329 -1.516 223 H ALA 28 HN ALA 28 -3.172 2.136 4.391 224 HA ALA 28 HA ALA 28 -2.524 -0.323 3.112 225 HB1 ALA 28 HB1 ALA 28 -0.868 -0.591 4.870 226 HB2 ALA 28 HB2 ALA 28 -1.601 0.733 5.776 227 HB3 ALA 28 HB3 ALA 28 -0.835 1.049 4.221 228 H GLU 29 HN GLU 29 -4.368 0.509 6.028 229 HA GLU 29 HA GLU 29 -4.572 -2.183 6.946 230 HB2 GLU 29 HB2 GLU 29 -5.963 -1.386 8.651 231 HB3 GLU 29 HB1 GLU 29 -4.885 -0.039 8.319 232 HG2 GLU 29 HG2 GLU 29 -6.672 0.940 6.884 233 HG3 GLU 29 HG1 GLU 29 -7.743 -0.347 7.440 234 H GLU 30 HN GLU 30 -6.313 -0.312 4.608 235 HA GLU 30 HA GLU 30 -8.700 -1.857 4.548 236 HB2 GLU 30 HB2 GLU 30 -7.663 0.418 3.206 237 HB3 GLU 30 HB1 GLU 30 -8.110 -0.748 1.971 238 HG2 GLU 30 HG2 GLU 30 -10.347 -0.921 3.164 239 HG3 GLU 30 HG1 GLU 30 -9.860 0.522 4.052 240 H ILE 31 HN ILE 31 -5.790 -1.851 2.508 241 HA ILE 31 HA ILE 31 -6.570 -4.114 0.969 242 HB ILE 31 HB ILE 31 -4.953 -2.370 0.196 243 HG12 ILE 31 HG12 ILE 31 -3.232 -4.215 -0.642 244 HG13 ILE 31 HG11 ILE 31 -4.439 -5.300 0.043 245 HG21 ILE 31 HG21 ILE 31 -2.950 -3.815 1.918 246 HG22 ILE 31 HG22 ILE 31 -3.654 -2.245 2.309 247 HG23 ILE 31 HG23 ILE 31 -2.652 -2.429 0.867 248 HD11 ILE 31 HD11 ILE 31 -5.078 -3.165 -1.970 249 HD12 ILE 31 HD12 ILE 31 -6.115 -4.482 -1.420 250 HD13 ILE 31 HD13 ILE 31 -4.686 -4.832 -2.393 251 H ALA 32 HN ALA 32 -4.728 -3.722 3.932 252 HA ALA 32 HA ALA 32 -3.571 -6.314 3.985 253 HB1 ALA 32 HB1 ALA 32 -2.962 -5.819 6.251 254 HB2 ALA 32 HB2 ALA 32 -4.151 -4.523 6.333 255 HB3 ALA 32 HB3 ALA 32 -2.745 -4.362 5.282 256 H ARG 33 HN ARG 33 -6.662 -5.042 4.989 257 HA ARG 33 HA ARG 33 -7.421 -7.160 6.701 258 HB2 ARG 33 HB2 ARG 33 -8.457 -4.755 6.234 259 HB3 ARG 33 HB1 ARG 33 -9.494 -5.689 5.162 260 HG2 ARG 33 HG2 ARG 33 -10.179 -7.098 7.021 261 HG3 ARG 33 HG1 ARG 33 -9.106 -6.209 8.102 262 HD2 ARG 33 HD2 ARG 33 -11.245 -5.307 8.466 263 HD3 ARG 33 HD1 ARG 33 -10.405 -4.132 7.456 264 HE ARG 33 HE ARG 33 -11.833 -5.899 5.807 265 HH11 ARG 33 HH12 ARG 33 -12.395 -3.339 8.107 266 HH12 ARG 33 HH11 ARG 33 -13.891 -2.847 7.391 267 HH21 ARG 33 HH21 ARG 33 -13.810 -5.260 4.861 268 HH22 ARG 33 HH22 ARG 33 -14.697 -3.941 5.546 269 H ARG 34 HN ARG 34 -7.628 -6.730 3.226 270 HA ARG 34 HA ARG 34 -9.341 -9.041 2.893 271 HB2 ARG 34 HB2 ARG 34 -8.152 -7.013 1.039 272 HB3 ARG 34 HB1 ARG 34 -8.788 -8.518 0.391 273 HG2 ARG 34 HG2 ARG 34 -10.622 -7.156 0.216 274 HG3 ARG 34 HG1 ARG 34 -10.902 -7.892 1.795 275 HD2 ARG 34 HD2 ARG 34 -9.953 -5.941 2.894 276 HD3 ARG 34 HD1 ARG 34 -9.602 -5.211 1.329 277 HE ARG 34 HE ARG 34 -12.316 -5.716 1.350 278 HH11 ARG 34 HH12 ARG 34 -10.056 -3.827 3.215 279 HH12 ARG 34 HH11 ARG 34 -11.216 -2.610 3.634 280 HH21 ARG 34 HH22 ARG 34 -13.853 -4.102 1.887 281 HH22 ARG 34 HH21 ARG 34 -13.371 -2.767 2.879 282 H LEU 35 HN LEU 35 -5.975 -8.438 3.067 283 HA LEU 35 HA LEU 35 -5.336 -10.897 1.609 284 HB2 LEU 35 HB2 LEU 35 -3.598 -8.684 2.690 285 HB3 LEU 35 HB1 LEU 35 -2.955 -10.155 1.987 286 HG LEU 35 HG LEU 35 -4.858 -8.474 0.398 287 HD11 LEU 35 HD11 LEU 35 -1.898 -7.978 0.675 288 HD12 LEU 35 HD12 LEU 35 -3.189 -6.904 1.209 289 HD13 LEU 35 HD13 LEU 35 -2.963 -7.222 -0.510 290 HD21 LEU 35 HD21 LEU 35 -2.529 -10.242 -0.341 291 HD22 LEU 35 HD22 LEU 35 -3.587 -9.396 -1.471 292 HD23 LEU 35 HD23 LEU 35 -4.235 -10.677 -0.447 293 H GLY 36 HN GLY 36 -5.738 -9.737 4.802 294 HA2 GLY 36 HA2 GLY 36 -5.809 -11.016 6.746 295 HA3 GLY 36 HA1 GLY 36 -5.086 -12.352 5.866 296 H LEU 37 HN LEU 37 -3.742 -9.103 6.002 297 HA LEU 37 HA LEU 37 -1.629 -10.075 7.803 298 HB2 LEU 37 HB2 LEU 37 -1.057 -8.344 5.412 299 HB3 LEU 37 HB1 LEU 37 0.096 -9.105 6.483 300 HG LEU 37 HG LEU 37 -1.752 -10.844 4.911 301 HD11 LEU 37 HD11 LEU 37 0.743 -9.552 3.815 302 HD12 LEU 37 HD12 LEU 37 -0.909 -9.294 3.248 303 HD13 LEU 37 HD13 LEU 37 -0.147 -10.873 3.058 304 HD21 LEU 37 HD21 LEU 37 0.176 -12.351 4.986 305 HD22 LEU 37 HD22 LEU 37 -0.305 -11.834 6.600 306 HD23 LEU 37 HD23 LEU 37 1.109 -11.116 5.831 307 H SER 38 HN SER 38 -0.131 -8.058 8.298 308 HA SER 38 HA SER 38 -1.949 -5.961 9.262 309 HB2 SER 38 HB2 SER 38 0.806 -6.738 10.254 310 HB3 SER 38 HB1 SER 38 -0.205 -5.469 10.946 311 HG SER 38 HG SER 38 -1.485 -6.941 11.822 312 HA PRO 39 HA PRO 39 -0.208 -3.047 6.438 313 HB2 PRO 39 HB2 PRO 39 -0.692 -0.748 7.824 314 HB3 PRO 39 HB1 PRO 39 -1.944 -1.649 6.955 315 HG2 PRO 39 HG2 PRO 39 -1.297 -1.676 9.870 316 HG3 PRO 39 HG1 PRO 39 -2.881 -1.643 9.070 317 HD2 PRO 39 HD2 PRO 39 -1.852 -3.907 10.086 318 HD3 PRO 39 HD1 PRO 39 -2.853 -3.902 8.619 319 H GLU 40 HN GLU 40 0.971 -3.330 9.683 320 HA GLU 40 HA GLU 40 3.087 -1.415 9.465 321 HB2 GLU 40 HB2 GLU 40 2.442 -3.609 11.414 322 HB3 GLU 40 HB1 GLU 40 3.919 -2.666 11.546 323 HG2 GLU 40 HG2 GLU 40 2.597 -0.621 11.740 324 HG3 GLU 40 HG1 GLU 40 1.116 -1.569 11.607 325 H ASP 41 HN ASP 41 2.682 -4.693 8.494 326 HA ASP 41 HA ASP 41 5.554 -5.172 8.280 327 HB2 ASP 41 HB2 ASP 41 3.145 -6.937 7.830 328 HB3 ASP 41 HB1 ASP 41 4.785 -7.452 7.449 329 H ILE 42 HN ILE 42 2.790 -4.443 6.286 330 HA ILE 42 HA ILE 42 4.180 -5.060 3.818 331 HB ILE 42 HB ILE 42 1.646 -3.490 3.821 332 HG12 ILE 42 HG12 ILE 42 1.674 -6.479 4.263 333 HG13 ILE 42 HG11 ILE 42 1.416 -5.319 5.560 334 HG21 ILE 42 HG21 ILE 42 2.715 -4.028 1.720 335 HG22 ILE 42 HG22 ILE 42 1.195 -4.912 1.862 336 HG23 ILE 42 HG23 ILE 42 2.728 -5.742 2.135 337 HD11 ILE 42 HD11 ILE 42 -0.329 -5.720 3.142 338 HD12 ILE 42 HD12 ILE 42 -0.567 -4.475 4.371 339 HD13 ILE 42 HD13 ILE 42 -0.695 -6.179 4.806 340 H LYS 43 HN LYS 43 5.317 -3.688 2.623 341 HA LYS 43 HA LYS 43 5.250 -0.845 3.370 342 HB2 LYS 43 HB2 LYS 43 7.423 -2.489 3.333 343 HB3 LYS 43 HB1 LYS 43 7.502 -1.783 1.724 344 HG2 LYS 43 HG2 LYS 43 7.558 0.435 2.640 345 HG3 LYS 43 HG1 LYS 43 7.306 -0.191 4.271 346 HD2 LYS 43 HD2 LYS 43 9.453 -1.458 4.019 347 HD3 LYS 43 HD1 LYS 43 9.714 -0.590 2.503 348 HE2 LYS 43 HE2 LYS 43 9.596 1.541 3.735 349 HE3 LYS 43 HE1 LYS 43 9.409 0.642 5.240 350 HZ1 LYS 43 HZ1 LYS 43 11.697 1.345 4.887 351 HZ2 LYS 43 HZ2 LYS 43 11.757 0.491 3.427 352 HZ3 LYS 43 HZ3 LYS 43 11.579 -0.344 4.888 353 H LEU 44 HN LEU 44 4.760 0.650 1.896 354 HA LEU 44 HA LEU 44 3.972 -0.287 -0.759 355 HB2 LEU 44 HB2 LEU 44 3.384 2.251 0.759 356 HB3 LEU 44 HB1 LEU 44 2.922 2.007 -0.913 357 HG LEU 44 HG LEU 44 1.783 -0.173 0.134 358 HD11 LEU 44 HD11 LEU 44 2.545 0.281 2.405 359 HD12 LEU 44 HD12 LEU 44 0.786 0.354 2.300 360 HD13 LEU 44 HD13 LEU 44 1.730 1.843 2.375 361 HD21 LEU 44 HD21 LEU 44 0.647 1.507 -1.193 362 HD22 LEU 44 HD22 LEU 44 0.630 2.612 0.181 363 HD23 LEU 44 HD23 LEU 44 -0.306 1.119 0.240 364 H THR 45 HN THR 45 5.100 0.202 -2.533 365 HA THR 45 HA THR 45 7.151 2.304 -2.321 366 HB THR 45 HB THR 45 7.587 0.045 -4.198 367 HG1 THR 45 HG1 THR 45 8.344 -1.290 -2.592 368 HG21 THR 45 HG21 THR 45 9.402 1.688 -2.435 369 HG22 THR 45 HG22 THR 45 9.149 1.908 -4.165 370 HG23 THR 45 HG23 THR 45 9.938 0.448 -3.566 371 H HIS 46 HN HIS 46 7.166 3.806 -3.850 372 HA HIS 46 HA HIS 46 5.725 3.320 -6.358 373 HB2 HIS 46 HB2 HIS 46 4.457 4.717 -4.541 374 HB3 HIS 46 HB1 HIS 46 5.559 6.001 -5.029 375 HD1 HIS 46 HD1 HIS 46 5.057 7.211 -7.180 376 HD2 HIS 46 HD2 HIS 46 2.689 3.839 -6.635 377 HE1 HIS 46 HE1 HIS 46 3.329 7.301 -9.004 378 HE2 HIS 46 HE2 HIS 46 1.908 5.246 -8.661 379 H ASN 47 HN ASN 47 6.905 3.766 -8.062 380 HA ASN 47 HA ASN 47 8.690 4.275 -9.336 381 HB2 ASN 47 HB2 ASN 47 9.112 6.659 -9.649 382 HB3 ASN 47 HB1 ASN 47 7.393 6.333 -9.514 383 HD21 ASN 47 HD21 ASN 47 10.181 7.716 -7.930 384 HD22 ASN 47 HD22 ASN 47 9.302 8.674 -6.793 385 H GLY 48 HN GLY 48 9.447 3.194 -6.775 386 HA2 GLY 48 HA2 GLY 48 11.584 2.590 -6.031 387 HA3 GLY 48 HA1 GLY 48 12.244 3.987 -6.859 388 H LYS 49 HN LYS 49 9.538 4.432 -4.731 389 HA LYS 49 HA LYS 49 11.317 5.319 -2.570 390 HB2 LYS 49 HB2 LYS 49 9.146 6.945 -3.886 391 HB3 LYS 49 HB1 LYS 49 9.765 7.322 -2.284 392 HG2 LYS 49 HG2 LYS 49 11.655 7.047 -4.582 393 HG3 LYS 49 HG1 LYS 49 10.730 8.536 -4.371 394 HD2 LYS 49 HD2 LYS 49 11.632 8.759 -2.095 395 HD3 LYS 49 HD1 LYS 49 12.569 7.281 -2.328 396 HE2 LYS 49 HE2 LYS 49 13.782 8.340 -4.167 397 HE3 LYS 49 HE1 LYS 49 12.835 9.811 -3.951 398 HZ1 LYS 49 HZ1 LYS 49 14.988 9.996 -2.888 399 HZ2 LYS 49 HZ2 LYS 49 14.679 8.625 -1.947 400 HZ3 LYS 49 HZ3 LYS 49 13.759 10.027 -1.724 401 H THR 50 HN THR 50 10.546 4.994 -0.530 402 HA THR 50 HA THR 50 8.130 3.376 -0.322 403 HB THR 50 HB THR 50 8.956 3.186 2.133 404 HG1 THR 50 HG1 THR 50 10.516 4.861 1.999 405 HG21 THR 50 HG21 THR 50 10.580 1.421 1.474 406 HG22 THR 50 HG22 THR 50 10.486 2.002 -0.188 407 HG23 THR 50 HG23 THR 50 9.056 1.327 0.595 408 H LEU 51 HN LEU 51 6.418 3.839 0.998 409 HA LEU 51 HA LEU 51 6.119 6.676 1.693 410 HB2 LEU 51 HB2 LEU 51 4.122 4.474 1.216 411 HB3 LEU 51 HB1 LEU 51 3.668 6.042 1.853 412 HG LEU 51 HG LEU 51 4.963 6.868 -0.332 413 HD11 LEU 51 HD11 LEU 51 5.573 4.628 -1.063 414 HD12 LEU 51 HD12 LEU 51 4.471 5.388 -2.211 415 HD13 LEU 51 HD13 LEU 51 3.874 4.163 -1.093 416 HD21 LEU 51 HD21 LEU 51 2.124 5.891 -0.130 417 HD22 LEU 51 HD22 LEU 51 2.735 6.868 -1.467 418 HD23 LEU 51 HD23 LEU 51 2.730 7.519 0.171 419 H ASP 52 HN ASP 52 5.748 7.375 3.730 420 HA ASP 52 HA ASP 52 6.065 5.435 5.877 421 HB2 ASP 52 HB2 ASP 52 7.179 7.855 5.575 422 HB3 ASP 52 HB1 ASP 52 5.744 8.327 6.484 423 HA PRO 53 HA PRO 53 1.724 5.244 6.839 424 HB2 PRO 53 HB2 PRO 53 2.526 4.717 9.621 425 HB3 PRO 53 HB1 PRO 53 1.643 3.684 8.489 426 HG2 PRO 53 HG2 PRO 53 4.174 3.156 9.204 427 HG3 PRO 53 HG1 PRO 53 3.546 2.785 7.586 428 HD2 PRO 53 HD2 PRO 53 5.304 5.027 8.462 429 HD3 PRO 53 HD1 PRO 53 5.333 4.079 6.962 430 H SER 54 HN SER 54 3.910 7.307 8.619 431 HA SER 54 HA SER 54 1.867 8.582 10.189 432 HB2 SER 54 HB2 SER 54 3.684 10.142 10.841 433 HB3 SER 54 HB1 SER 54 4.127 8.448 11.062 434 HG SER 54 HG SER 54 5.508 8.566 9.409 435 H LEU 55 HN LEU 55 3.340 9.172 7.069 436 HA LEU 55 HA LEU 55 2.407 11.871 6.915 437 HB2 LEU 55 HB2 LEU 55 3.791 9.984 5.049 438 HB3 LEU 55 HB1 LEU 55 3.259 11.554 4.552 439 HG LEU 55 HG LEU 55 5.055 11.272 6.923 440 HD11 LEU 55 HD11 LEU 55 6.992 11.520 5.498 441 HD12 LEU 55 HD12 LEU 55 5.970 11.495 4.062 442 HD13 LEU 55 HD13 LEU 55 6.111 10.054 5.067 443 HD21 LEU 55 HD21 LEU 55 5.762 13.529 6.217 444 HD22 LEU 55 HD22 LEU 55 4.041 13.435 6.591 445 HD23 LEU 55 HD23 LEU 55 4.576 13.465 4.912 446 H THR 56 HN THR 56 1.462 12.247 4.495 447 HA THR 56 HA THR 56 -1.003 10.637 4.389 448 HB THR 56 HB THR 56 -2.147 12.630 3.475 449 HG1 THR 56 HG1 THR 56 -0.394 14.506 4.274 450 HG21 THR 56 HG21 THR 56 -0.812 12.883 6.162 451 HG22 THR 56 HG22 THR 56 -2.444 12.317 5.799 452 HG23 THR 56 HG23 THR 56 -2.036 14.022 5.599 453 H LEU 57 HN LEU 57 -2.060 10.567 2.253 454 HA LEU 57 HA LEU 57 -0.195 9.756 0.250 455 HB2 LEU 57 HB2 LEU 57 -3.195 9.995 0.285 456 HB3 LEU 57 HB1 LEU 57 -2.305 9.411 -1.109 457 HG LEU 57 HG LEU 57 -1.935 8.098 1.559 458 HD11 LEU 57 HD11 LEU 57 -4.337 8.155 1.237 459 HD12 LEU 57 HD12 LEU 57 -3.719 6.520 0.997 460 HD13 LEU 57 HD13 LEU 57 -4.151 7.513 -0.395 461 HD21 LEU 57 HD21 LEU 57 -1.778 7.094 -1.279 462 HD22 LEU 57 HD22 LEU 57 -1.438 6.153 0.174 463 HD23 LEU 57 HD23 LEU 57 -0.408 7.520 -0.253 464 H ALA 58 HN ALA 58 -2.096 12.631 0.816 465 HA ALA 58 HA ALA 58 -1.723 13.670 -1.846 466 HB1 ALA 58 HB1 ALA 58 -2.773 15.043 0.621 467 HB2 ALA 58 HB2 ALA 58 -3.746 14.172 -0.564 468 HB3 ALA 58 HB3 ALA 58 -2.889 15.640 -1.035 469 H GLU 59 HN GLU 59 0.273 13.489 0.848 470 HA GLU 59 HA GLU 59 1.590 16.042 0.486 471 HB2 GLU 59 HB2 GLU 59 1.364 14.404 2.631 472 HB3 GLU 59 HB1 GLU 59 2.943 13.913 2.031 473 HG2 GLU 59 HG2 GLU 59 2.401 16.817 2.327 474 HG3 GLU 59 HG1 GLU 59 2.654 15.862 3.786 475 H TYR 60 HN TYR 60 1.984 12.733 -0.492 476 HA TYR 60 HA TYR 60 4.655 13.080 -1.489 477 HB2 TYR 60 HB2 TYR 60 2.671 10.870 -1.329 478 HB3 TYR 60 HB1 TYR 60 3.951 10.742 -2.522 479 HD1 TYR 60 HD2 TYR 60 6.313 10.624 -1.798 480 HD2 TYR 60 HD1 TYR 60 3.116 10.631 1.011 481 HE1 TYR 60 HE2 TYR 60 7.846 9.796 -0.057 482 HE2 TYR 60 HE1 TYR 60 4.637 9.803 2.755 483 HH TYR 60 HH TYR 60 7.931 9.883 2.521 484 H GLY 61 HN GLY 61 1.473 13.563 -2.698 485 HA2 GLY 61 HA2 GLY 61 0.909 14.615 -4.705 486 HA3 GLY 61 HA1 GLY 61 2.558 14.375 -5.265 487 H ILE 62 HN ILE 62 0.141 12.034 -4.106 488 HA ILE 62 HA ILE 62 0.584 10.496 -6.562 489 HB ILE 62 HB ILE 62 -0.934 9.542 -4.145 490 HG12 ILE 62 HG12 ILE 62 1.873 8.676 -4.515 491 HG13 ILE 62 HG11 ILE 62 1.646 10.332 -3.957 492 HG21 ILE 62 HG21 ILE 62 -1.230 8.262 -6.204 493 HG22 ILE 62 HG22 ILE 62 -0.348 7.328 -4.994 494 HG23 ILE 62 HG23 ILE 62 0.518 8.069 -6.339 495 HD11 ILE 62 HD11 ILE 62 0.566 7.851 -2.642 496 HD12 ILE 62 HD12 ILE 62 0.305 9.504 -2.089 497 HD13 ILE 62 HD13 ILE 62 1.931 8.822 -2.089 498 H THR 63 HN THR 63 -0.973 10.059 -8.003 499 HA THR 63 HA THR 63 -3.683 11.063 -7.449 500 HB THR 63 HB THR 63 -3.810 11.493 -9.968 501 HG1 THR 63 HG1 THR 63 -1.203 12.051 -10.250 502 HG21 THR 63 HG21 THR 63 -3.692 13.297 -8.321 503 HG22 THR 63 HG22 THR 63 -2.759 13.705 -9.760 504 HG23 THR 63 HG23 THR 63 -1.932 13.169 -8.298 505 HA PRO 64 HA PRO 64 -5.189 7.082 -8.633 506 HB2 PRO 64 HB2 PRO 64 -7.454 8.247 -10.064 507 HB3 PRO 64 HB1 PRO 64 -7.441 7.352 -8.542 508 HG2 PRO 64 HG2 PRO 64 -7.979 9.993 -8.661 509 HG3 PRO 64 HG1 PRO 64 -7.195 9.230 -7.264 510 HD2 PRO 64 HD2 PRO 64 -5.979 10.833 -9.467 511 HD3 PRO 64 HD1 PRO 64 -5.602 10.825 -7.733 512 H GLY 65 HN GLY 65 -4.836 5.669 -10.259 513 HA2 GLY 65 HA2 GLY 65 -5.131 5.092 -12.612 514 HA3 GLY 65 HA1 GLY 65 -4.712 6.752 -13.004 515 H SER 66 HN SER 66 -2.734 5.797 -10.527 516 HA SER 66 HA SER 66 -0.558 5.268 -12.410 517 HB2 SER 66 HB2 SER 66 0.940 5.778 -10.498 518 HB3 SER 66 HB1 SER 66 -0.170 7.102 -10.849 519 HG SER 66 HG SER 66 -0.407 6.896 -8.728 520 H THR 67 HN THR 67 1.083 3.668 -11.796 521 HA THR 67 HA THR 67 -0.202 1.229 -10.836 522 HB THR 67 HB THR 67 1.998 0.179 -11.641 523 HG1 THR 67 HG1 THR 67 3.033 2.359 -11.702 524 HG21 THR 67 HG21 THR 67 1.289 0.202 -13.973 525 HG22 THR 67 HG22 THR 67 0.282 1.617 -13.668 526 HG23 THR 67 HG23 THR 67 -0.112 0.075 -12.908 527 H ILE 68 HN ILE 68 0.110 0.498 -8.840 528 HA ILE 68 HA ILE 68 2.348 1.586 -7.271 529 HB ILE 68 HB ILE 68 -0.193 0.290 -6.263 530 HG12 ILE 68 HG12 ILE 68 -0.216 2.905 -5.421 531 HG13 ILE 68 HG11 ILE 68 0.480 3.042 -7.033 532 HG21 ILE 68 HG21 ILE 68 1.978 1.759 -4.772 533 HG22 ILE 68 HG22 ILE 68 1.672 0.022 -4.713 534 HG23 ILE 68 HG23 ILE 68 0.478 1.151 -4.072 535 HD11 ILE 68 HD11 ILE 68 -1.956 3.336 -7.005 536 HD12 ILE 68 HD12 ILE 68 -2.131 1.689 -6.394 537 HD13 ILE 68 HD13 ILE 68 -1.449 1.969 -7.997 538 H THR 69 HN THR 69 3.656 0.189 -6.030 539 HA THR 69 HA THR 69 3.499 -2.637 -6.799 540 HB THR 69 HB THR 69 6.148 -2.226 -6.128 541 HG1 THR 69 HG1 THR 69 5.202 0.150 -6.691 542 HG21 THR 69 HG21 THR 69 6.592 -2.572 -8.498 543 HG22 THR 69 HG22 THR 69 4.926 -2.142 -8.888 544 HG23 THR 69 HG23 THR 69 5.266 -3.608 -7.969 545 H LEU 70 HN LEU 70 2.861 -3.729 -5.110 546 HA LEU 70 HA LEU 70 3.510 -2.805 -2.419 547 HB2 LEU 70 HB2 LEU 70 1.228 -3.822 -3.569 548 HB3 LEU 70 HB1 LEU 70 1.867 -5.194 -2.693 549 HG LEU 70 HG LEU 70 2.042 -3.318 -0.770 550 HD11 LEU 70 HD11 LEU 70 1.086 -1.579 -2.191 551 HD12 LEU 70 HD12 LEU 70 0.036 -1.936 -0.820 552 HD13 LEU 70 HD13 LEU 70 -0.361 -2.560 -2.422 553 HD21 LEU 70 HD21 LEU 70 0.991 -5.464 -0.482 554 HD22 LEU 70 HD22 LEU 70 -0.361 -4.983 -1.509 555 HD23 LEU 70 HD23 LEU 70 -0.124 -4.207 0.058 556 H GLU 71 HN GLU 71 4.767 -3.912 -1.011 557 HA GLU 71 HA GLU 71 5.797 -6.537 -1.844 558 HB2 GLU 71 HB2 GLU 71 7.385 -4.143 -0.943 559 HB3 GLU 71 HB1 GLU 71 8.021 -5.776 -0.810 560 HG2 GLU 71 HG2 GLU 71 7.822 -6.073 -3.210 561 HG3 GLU 71 HG1 GLU 71 7.124 -4.460 -3.364 562 H ILE 72 HN ILE 72 5.810 -8.039 -0.291 563 HA ILE 72 HA ILE 72 5.118 -7.185 2.443 564 HB ILE 72 HB ILE 72 4.809 -9.999 1.421 565 HG12 ILE 72 HG12 ILE 72 2.268 -8.957 1.348 566 HG13 ILE 72 HG11 ILE 72 3.227 -7.626 0.709 567 HG21 ILE 72 HG21 ILE 72 3.106 -10.129 3.174 568 HG22 ILE 72 HG22 ILE 72 3.414 -8.444 3.596 569 HG23 ILE 72 HG23 ILE 72 4.675 -9.657 3.829 570 HD11 ILE 72 HD11 ILE 72 4.115 -9.050 -1.022 571 HD12 ILE 72 HD12 ILE 72 2.352 -9.104 -1.043 572 HD13 ILE 72 HD13 ILE 72 3.267 -10.442 -0.349 573 H LYS 73 HN LYS 73 6.350 -7.807 4.164 574 HA LYS 73 HA LYS 73 8.783 -9.345 3.539 575 HB2 LYS 73 HB2 LYS 73 8.371 -7.005 5.387 576 HB3 LYS 73 HB1 LYS 73 9.766 -8.069 5.529 577 HG2 LYS 73 HG2 LYS 73 10.427 -7.529 3.251 578 HG3 LYS 73 HG1 LYS 73 9.016 -6.482 3.084 579 HD2 LYS 73 HD2 LYS 73 9.857 -5.065 4.891 580 HD3 LYS 73 HD1 LYS 73 11.264 -6.116 5.063 581 HE2 LYS 73 HE2 LYS 73 11.991 -4.294 3.758 582 HE3 LYS 73 HE1 LYS 73 11.753 -5.626 2.626 583 HZ1 LYS 73 HZ1 LYS 73 9.614 -4.691 2.023 584 HZ2 LYS 73 HZ2 LYS 73 10.839 -3.554 1.777 585 HZ3 LYS 73 HZ3 LYS 73 9.821 -3.423 3.122 586 H LYS 74 HN LYS 74 8.955 -11.233 4.518 587 HA LYS 74 HA LYS 74 7.758 -11.586 7.171 588 HB2 LYS 74 HB2 LYS 74 6.397 -12.520 5.090 589 HB3 LYS 74 HB1 LYS 74 7.541 -13.847 5.240 590 HG2 LYS 74 HG2 LYS 74 6.851 -14.168 7.567 591 HG3 LYS 74 HG1 LYS 74 5.693 -12.849 7.398 592 HD2 LYS 74 HD2 LYS 74 4.538 -14.099 5.633 593 HD3 LYS 74 HD1 LYS 74 5.695 -15.420 5.816 594 HE2 LYS 74 HE2 LYS 74 4.024 -14.420 8.104 595 HE3 LYS 74 HE1 LYS 74 3.450 -15.666 6.997 596 HZ1 LYS 74 HZ1 LYS 74 5.376 -17.013 7.589 597 HZ2 LYS 74 HZ2 LYS 74 4.450 -16.645 8.954 598 HZ3 LYS 74 HZ3 LYS 74 5.900 -15.822 8.669 599 H LYS 75 HN LYS 75 8.761 -13.138 8.478 600 HA LYS 75 HA LYS 75 11.331 -14.151 7.454 601 HB2 LYS 75 HB2 LYS 75 10.667 -12.924 10.122 602 HB3 LYS 75 HB1 LYS 75 12.078 -13.947 9.902 603 HG2 LYS 75 HG2 LYS 75 12.922 -12.416 8.194 604 HG3 LYS 75 HG1 LYS 75 11.510 -11.385 8.426 605 HD2 LYS 75 HD2 LYS 75 12.156 -11.034 10.762 606 HD3 LYS 75 HD1 LYS 75 13.571 -12.061 10.524 607 HE2 LYS 75 HE2 LYS 75 14.350 -9.842 10.336 608 HE3 LYS 75 HE1 LYS 75 14.254 -10.458 8.687 609 HZ1 LYS 75 HZ1 LYS 75 12.133 -9.326 8.429 610 HZ2 LYS 75 HZ2 LYS 75 13.350 -8.228 8.846 611 HZ3 LYS 75 HZ3 LYS 75 12.231 -8.732 10.011 612 H GLY 76 HN GLY 76 11.721 -16.266 7.715 613 HA2 GLY 76 HA2 GLY 76 11.335 -18.058 9.581 614 HA3 GLY 76 HA1 GLY 76 9.664 -17.844 9.086 615 H GLY 77 HN GLY 77 11.555 -20.166 8.946 616 HA2 GLY 77 HA2 GLY 77 10.768 -21.723 7.037 617 HA3 GLY 77 HA1 GLY 77 11.632 -20.569 6.034 618 H LEU 78 HN LEU 78 11.873 -23.288 8.108 619 HA LEU 78 HA LEU 78 14.809 -23.200 7.956 620 HB2 LEU 78 HB2 LEU 78 13.469 -23.499 10.196 621 HB3 LEU 78 HB1 LEU 78 13.328 -25.160 9.660 622 HG LEU 78 HG LEU 78 16.058 -23.998 9.649 623 HD11 LEU 78 HD11 LEU 78 15.217 -23.120 11.740 624 HD12 LEU 78 HD12 LEU 78 16.334 -24.449 12.049 625 HD13 LEU 78 HD13 LEU 78 14.594 -24.710 12.186 626 HD21 LEU 78 HD21 LEU 78 15.661 -26.301 8.960 627 HD22 LEU 78 HD22 LEU 78 14.907 -26.650 10.515 628 HD23 LEU 78 HD23 LEU 78 16.622 -26.249 10.438 629 H GLU 79 HN GLU 79 15.842 -24.583 6.691 630 HA GLU 79 HA GLU 79 14.286 -26.716 5.408 631 HB2 GLU 79 HB2 GLU 79 16.670 -25.102 4.555 632 HB3 GLU 79 HB1 GLU 79 16.336 -26.657 3.803 633 HG2 GLU 79 HG2 GLU 79 15.234 -25.292 2.359 634 HG3 GLU 79 HG1 GLU 79 13.935 -25.607 3.507 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -11.136 10.629 -11.495 2 H2 MET 1 HT2 MET 1 -10.215 10.149 -12.829 3 H3 MET 1 HT3 MET 1 -9.448 10.705 -11.426 4 HA MET 1 HA MET 1 -11.077 8.244 -11.635 5 HB2 MET 1 HB2 MET 1 -8.098 8.711 -11.557 6 HB3 MET 1 HB1 MET 1 -8.818 7.157 -11.161 7 HG2 MET 1 HG2 MET 1 -9.779 7.008 -13.382 8 HG3 MET 1 HG1 MET 1 -9.137 8.598 -13.785 9 HE1 MET 1 HE1 MET 1 -7.966 7.523 -16.006 10 HE2 MET 1 HE2 MET 1 -8.691 5.983 -15.541 11 HE3 MET 1 HE3 MET 1 -6.973 6.069 -15.929 12 H ASP 2 HN ASP 2 -11.124 6.972 -9.741 13 HA ASP 2 HA ASP 2 -10.298 8.332 -7.271 14 HB2 ASP 2 HB2 ASP 2 -13.023 7.202 -7.910 15 HB3 ASP 2 HB1 ASP 2 -12.488 7.501 -6.261 16 H THR 3 HN THR 3 -10.109 5.627 -9.135 17 HA THR 3 HA THR 3 -9.779 3.843 -6.820 18 HB THR 3 HB THR 3 -9.870 1.992 -8.580 19 HG1 THR 3 HG1 THR 3 -11.229 2.826 -10.441 20 HG21 THR 3 HG21 THR 3 -11.710 2.454 -7.033 21 HG22 THR 3 HG22 THR 3 -12.322 1.995 -8.621 22 HG23 THR 3 HG23 THR 3 -12.330 3.689 -8.130 23 H ILE 4 HN ILE 4 -7.974 2.448 -6.749 24 HA ILE 4 HA ILE 4 -5.707 3.242 -8.457 25 HB ILE 4 HB ILE 4 -4.256 2.828 -6.407 26 HG12 ILE 4 HG12 ILE 4 -6.570 3.569 -4.700 27 HG13 ILE 4 HG11 ILE 4 -6.516 1.900 -5.252 28 HG21 ILE 4 HG21 ILE 4 -4.639 5.049 -7.308 29 HG22 ILE 4 HG22 ILE 4 -4.611 5.102 -5.545 30 HG23 ILE 4 HG23 ILE 4 -6.148 5.175 -6.406 31 HD11 ILE 4 HD11 ILE 4 -5.484 2.295 -3.031 32 HD12 ILE 4 HD12 ILE 4 -4.250 3.267 -3.833 33 HD13 ILE 4 HD13 ILE 4 -4.404 1.550 -4.209 34 H ASN 5 HN ASN 5 -4.037 1.616 -8.693 35 HA ASN 5 HA ASN 5 -5.106 -1.085 -8.548 36 HB2 ASN 5 HB2 ASN 5 -2.998 0.297 -10.142 37 HB3 ASN 5 HB1 ASN 5 -2.996 -1.438 -10.016 38 HD21 ASN 5 HD21 ASN 5 -3.295 0.019 -12.362 39 HD22 ASN 5 HD22 ASN 5 -4.852 -0.327 -12.993 40 H ILE 6 HN ILE 6 -3.800 -2.812 -7.824 41 HA ILE 6 HA ILE 6 -1.507 -2.128 -6.124 42 HB ILE 6 HB ILE 6 -3.821 -3.877 -5.249 43 HG12 ILE 6 HG12 ILE 6 -3.470 -1.964 -3.317 44 HG13 ILE 6 HG11 ILE 6 -3.121 -1.058 -4.785 45 HG21 ILE 6 HG21 ILE 6 -1.763 -4.813 -4.435 46 HG22 ILE 6 HG22 ILE 6 -2.601 -4.024 -3.098 47 HG23 ILE 6 HG23 ILE 6 -1.223 -3.234 -3.866 48 HD11 ILE 6 HD11 ILE 6 -5.277 -1.595 -5.687 49 HD12 ILE 6 HD12 ILE 6 -5.479 -0.925 -4.068 50 HD13 ILE 6 HD13 ILE 6 -5.623 -2.662 -4.326 51 H THR 7 HN THR 7 0.161 -3.275 -6.880 52 HA THR 7 HA THR 7 -0.347 -5.795 -8.282 53 HB THR 7 HB THR 7 2.382 -4.598 -8.140 54 HG1 THR 7 HG1 THR 7 0.279 -3.629 -9.805 55 HG21 THR 7 HG21 THR 7 0.805 -5.943 -10.334 56 HG22 THR 7 HG22 THR 7 2.010 -6.717 -9.308 57 HG23 THR 7 HG23 THR 7 2.496 -5.450 -10.434 58 H LEU 8 HN LEU 8 -0.031 -7.674 -7.316 59 HA LEU 8 HA LEU 8 1.477 -7.792 -4.825 60 HB2 LEU 8 HB2 LEU 8 -0.870 -8.981 -5.848 61 HB3 LEU 8 HB1 LEU 8 0.298 -10.258 -5.706 62 HG LEU 8 HG LEU 8 0.568 -9.071 -3.275 63 HD11 LEU 8 HD11 LEU 8 -2.389 -9.028 -3.735 64 HD12 LEU 8 HD12 LEU 8 -1.407 -7.593 -4.023 65 HD13 LEU 8 HD13 LEU 8 -1.453 -8.321 -2.418 66 HD21 LEU 8 HD21 LEU 8 -0.806 -10.915 -2.423 67 HD22 LEU 8 HD22 LEU 8 0.308 -11.452 -3.679 68 HD23 LEU 8 HD23 LEU 8 -1.400 -11.221 -4.056 69 HA PRO 9 HA PRO 9 4.867 -10.014 -6.693 70 HB2 PRO 9 HB2 PRO 9 4.916 -12.031 -4.578 71 HB3 PRO 9 HB1 PRO 9 6.084 -10.749 -4.921 72 HG2 PRO 9 HG2 PRO 9 4.501 -10.704 -2.738 73 HG3 PRO 9 HG1 PRO 9 5.047 -9.232 -3.563 74 HD2 PRO 9 HD2 PRO 9 2.397 -10.601 -3.707 75 HD3 PRO 9 HD1 PRO 9 2.773 -8.866 -3.647 76 H ASP 10 HN ASP 10 1.842 -11.381 -6.345 77 HA ASP 10 HA ASP 10 2.567 -14.004 -7.398 78 HB2 ASP 10 HB2 ASP 10 -0.022 -12.775 -6.469 79 HB3 ASP 10 HB1 ASP 10 0.012 -14.315 -7.320 80 H GLY 11 HN GLY 11 1.633 -10.928 -8.534 81 HA2 GLY 11 HA2 GLY 11 1.831 -10.392 -10.853 82 HA3 GLY 11 HA1 GLY 11 1.367 -12.038 -11.240 83 H LYS 12 HN LYS 12 -0.641 -10.886 -8.820 84 HA LYS 12 HA LYS 12 -2.697 -10.236 -10.818 85 HB2 LYS 12 HB2 LYS 12 -4.320 -10.786 -8.964 86 HB3 LYS 12 HB1 LYS 12 -3.377 -12.136 -9.570 87 HG2 LYS 12 HG2 LYS 12 -1.877 -11.951 -7.643 88 HG3 LYS 12 HG1 LYS 12 -2.845 -10.608 -7.030 89 HD2 LYS 12 HD2 LYS 12 -4.807 -12.105 -6.940 90 HD3 LYS 12 HD1 LYS 12 -3.784 -13.443 -7.469 91 HE2 LYS 12 HE2 LYS 12 -2.391 -13.148 -5.467 92 HE3 LYS 12 HE1 LYS 12 -3.445 -11.837 -4.937 93 HZ1 LYS 12 HZ1 LYS 12 -5.279 -13.409 -4.827 94 HZ2 LYS 12 HZ2 LYS 12 -4.002 -13.917 -3.843 95 HZ3 LYS 12 HZ3 LYS 12 -4.268 -14.665 -5.336 96 H THR 13 HN THR 13 -3.935 -8.419 -10.649 97 HA THR 13 HA THR 13 -2.992 -6.419 -8.709 98 HB THR 13 HB THR 13 -3.977 -4.757 -10.391 99 HG1 THR 13 HG1 THR 13 -4.928 -5.665 -12.046 100 HG21 THR 13 HG21 THR 13 -1.952 -4.825 -11.792 101 HG22 THR 13 HG22 THR 13 -1.592 -6.436 -11.173 102 HG23 THR 13 HG23 THR 13 -1.578 -5.051 -10.082 103 H LEU 14 HN LEU 14 -4.518 -4.953 -7.820 104 HA LEU 14 HA LEU 14 -7.323 -5.815 -7.930 105 HB2 LEU 14 HB2 LEU 14 -5.681 -5.309 -5.456 106 HB3 LEU 14 HB1 LEU 14 -7.435 -5.361 -5.446 107 HG LEU 14 HG LEU 14 -6.482 -7.726 -6.724 108 HD11 LEU 14 HD11 LEU 14 -4.382 -7.311 -5.545 109 HD12 LEU 14 HD12 LEU 14 -5.213 -8.733 -4.916 110 HD13 LEU 14 HD13 LEU 14 -5.258 -7.216 -4.019 111 HD21 LEU 14 HD21 LEU 14 -7.698 -8.810 -4.900 112 HD22 LEU 14 HD22 LEU 14 -8.626 -7.479 -5.595 113 HD23 LEU 14 HD23 LEU 14 -7.800 -7.267 -4.051 114 H THR 15 HN THR 15 -8.858 -4.163 -7.496 115 HA THR 15 HA THR 15 -7.742 -1.447 -7.694 116 HB THR 15 HB THR 15 -10.533 -1.515 -8.356 117 HG1 THR 15 HG1 THR 15 -9.132 -3.005 -10.255 118 HG21 THR 15 HG21 THR 15 -8.152 -1.066 -10.154 119 HG22 THR 15 HG22 THR 15 -8.780 0.146 -9.041 120 HG23 THR 15 HG23 THR 15 -9.787 -0.440 -10.365 121 H LEU 16 HN LEU 16 -8.123 -0.044 -6.101 122 HA LEU 16 HA LEU 16 -10.305 -0.646 -4.207 123 HB2 LEU 16 HB2 LEU 16 -7.962 -1.122 -3.357 124 HB3 LEU 16 HB1 LEU 16 -7.676 0.605 -3.434 125 HG LEU 16 HG LEU 16 -9.822 0.725 -1.913 126 HD11 LEU 16 HD11 LEU 16 -8.791 -2.058 -1.369 127 HD12 LEU 16 HD12 LEU 16 -10.370 -1.639 -2.034 128 HD13 LEU 16 HD13 LEU 16 -9.959 -1.183 -0.380 129 HD21 LEU 16 HD21 LEU 16 -8.370 0.634 0.058 130 HD22 LEU 16 HD22 LEU 16 -7.605 1.498 -1.275 131 HD23 LEU 16 HD23 LEU 16 -7.119 -0.157 -0.903 132 H THR 17 HN THR 17 -11.445 1.095 -3.363 133 HA THR 17 HA THR 17 -11.136 3.598 -4.862 134 HB THR 17 HB THR 17 -13.498 3.101 -3.101 135 HG1 THR 17 HG1 THR 17 -13.231 1.148 -4.307 136 HG21 THR 17 HG21 THR 17 -14.657 4.312 -4.885 137 HG22 THR 17 HG22 THR 17 -13.169 4.352 -5.831 138 HG23 THR 17 HG23 THR 17 -13.266 5.226 -4.302 139 H VAL 18 HN VAL 18 -10.228 5.296 -3.898 140 HA VAL 18 HA VAL 18 -10.594 5.679 -1.012 141 HB VAL 18 HB VAL 18 -8.152 6.483 -0.937 142 HG11 VAL 18 HG11 VAL 18 -8.927 4.510 0.251 143 HG12 VAL 18 HG12 VAL 18 -7.322 4.238 -0.424 144 HG13 VAL 18 HG13 VAL 18 -8.738 3.539 -1.207 145 HG21 VAL 18 HG21 VAL 18 -6.670 5.186 -2.514 146 HG22 VAL 18 HG22 VAL 18 -7.583 6.511 -3.235 147 HG23 VAL 18 HG23 VAL 18 -8.118 4.846 -3.461 148 H THR 19 HN THR 19 -9.409 7.915 -0.458 149 HA THR 19 HA THR 19 -10.013 9.858 -2.585 150 HB THR 19 HB THR 19 -10.926 11.385 -0.750 151 HG1 THR 19 HG1 THR 19 -11.830 10.186 1.051 152 HG21 THR 19 HG21 THR 19 -13.181 10.390 -0.827 153 HG22 THR 19 HG22 THR 19 -12.486 8.902 -1.470 154 HG23 THR 19 HG23 THR 19 -12.399 10.394 -2.407 155 HA PRO 20 HA PRO 20 -6.251 11.890 -1.453 156 HB2 PRO 20 HB2 PRO 20 -7.629 14.492 -1.229 157 HB3 PRO 20 HB1 PRO 20 -6.354 13.987 -2.347 158 HG2 PRO 20 HG2 PRO 20 -8.855 14.343 -3.200 159 HG3 PRO 20 HG1 PRO 20 -7.832 13.044 -3.845 160 HD2 PRO 20 HD2 PRO 20 -10.025 12.885 -1.824 161 HD3 PRO 20 HD1 PRO 20 -9.647 11.789 -3.168 162 H GLU 21 HN GLU 21 -9.004 12.195 0.605 163 HA GLU 21 HA GLU 21 -7.555 13.503 2.750 164 HB2 GLU 21 HB2 GLU 21 -10.138 13.610 2.116 165 HB3 GLU 21 HB1 GLU 21 -10.210 12.232 3.208 166 HG2 GLU 21 HG2 GLU 21 -9.214 13.568 4.980 167 HG3 GLU 21 HG1 GLU 21 -9.091 14.945 3.884 168 H PHE 22 HN PHE 22 -7.669 10.426 1.557 169 HA PHE 22 HA PHE 22 -7.667 8.973 4.032 170 HB2 PHE 22 HB2 PHE 22 -7.633 8.394 1.167 171 HB3 PHE 22 HB1 PHE 22 -6.593 7.339 2.084 172 HD1 PHE 22 HD2 PHE 22 -10.023 8.760 2.289 173 HD2 PHE 22 HD1 PHE 22 -7.507 5.378 2.856 174 HE1 PHE 22 HE2 PHE 22 -11.984 7.415 2.919 175 HE2 PHE 22 HE1 PHE 22 -9.463 4.025 3.486 176 HZ PHE 22 HZ PHE 22 -11.703 5.044 3.518 177 H THR 23 HN THR 23 -5.907 8.302 5.169 178 HA THR 23 HA THR 23 -3.345 9.471 4.430 179 HB THR 23 HB THR 23 -2.639 8.445 6.690 180 HG1 THR 23 HG1 THR 23 -4.330 7.036 7.063 181 HG21 THR 23 HG21 THR 23 -3.021 10.822 6.420 182 HG22 THR 23 HG22 THR 23 -3.706 10.283 7.954 183 HG23 THR 23 HG23 THR 23 -4.763 10.590 6.575 184 H VAL 24 HN VAL 24 -1.353 8.019 4.863 185 HA VAL 24 HA VAL 24 -1.475 5.810 3.104 186 HB VAL 24 HB VAL 24 0.698 6.333 5.138 187 HG11 VAL 24 HG11 VAL 24 2.141 5.170 3.582 188 HG12 VAL 24 HG12 VAL 24 0.810 4.985 2.439 189 HG13 VAL 24 HG13 VAL 24 0.767 4.145 3.990 190 HG21 VAL 24 HG21 VAL 24 1.808 7.646 3.383 191 HG22 VAL 24 HG22 VAL 24 0.276 8.368 3.879 192 HG23 VAL 24 HG23 VAL 24 0.381 7.472 2.363 193 H LYS 25 HN LYS 25 -1.702 6.125 6.578 194 HA LYS 25 HA LYS 25 -1.463 3.360 7.205 195 HB2 LYS 25 HB2 LYS 25 -1.304 5.550 8.688 196 HB3 LYS 25 HB1 LYS 25 -3.011 5.224 8.942 197 HG2 LYS 25 HG2 LYS 25 -2.477 3.009 9.796 198 HG3 LYS 25 HG1 LYS 25 -0.760 3.311 9.517 199 HD2 LYS 25 HD2 LYS 25 -0.828 5.173 11.098 200 HD3 LYS 25 HD1 LYS 25 -2.549 4.887 11.368 201 HE2 LYS 25 HE2 LYS 25 -2.034 2.653 12.228 202 HE3 LYS 25 HE1 LYS 25 -0.316 2.948 11.964 203 HZ1 LYS 25 HZ1 LYS 25 -0.427 4.771 13.549 204 HZ2 LYS 25 HZ2 LYS 25 -0.930 3.325 14.265 205 HZ3 LYS 25 HZ3 LYS 25 -2.074 4.481 13.803 206 H GLU 26 HN GLU 26 -4.137 5.479 6.388 207 HA GLU 26 HA GLU 26 -6.206 3.650 7.109 208 HB2 GLU 26 HB2 GLU 26 -6.172 6.293 6.608 209 HB3 GLU 26 HB1 GLU 26 -6.743 5.710 5.050 210 HG2 GLU 26 HG2 GLU 26 -8.700 4.860 5.941 211 HG3 GLU 26 HG1 GLU 26 -8.039 4.768 7.573 212 H LEU 27 HN LEU 27 -4.772 4.639 3.997 213 HA LEU 27 HA LEU 27 -6.255 2.937 2.356 214 HB2 LEU 27 HB2 LEU 27 -4.735 4.845 1.688 215 HB3 LEU 27 HB1 LEU 27 -3.387 3.751 1.917 216 HG LEU 27 HG LEU 27 -5.527 2.797 0.110 217 HD11 LEU 27 HD11 LEU 27 -4.744 4.129 -1.766 218 HD12 LEU 27 HD12 LEU 27 -3.664 5.022 -0.698 219 HD13 LEU 27 HD13 LEU 27 -5.411 5.162 -0.501 220 HD21 LEU 27 HD21 LEU 27 -3.515 1.488 0.486 221 HD22 LEU 27 HD22 LEU 27 -2.515 2.841 -0.044 222 HD23 LEU 27 HD23 LEU 27 -3.589 2.037 -1.190 223 H ALA 28 HN ALA 28 -3.332 2.368 4.231 224 HA ALA 28 HA ALA 28 -2.730 -0.178 3.107 225 HB1 ALA 28 HB1 ALA 28 -1.116 -0.384 4.908 226 HB2 ALA 28 HB2 ALA 28 -1.841 0.994 5.735 227 HB3 ALA 28 HB3 ALA 28 -1.036 1.223 4.184 228 H GLU 29 HN GLU 29 -4.619 0.860 5.919 229 HA GLU 29 HA GLU 29 -4.878 -1.762 7.004 230 HB2 GLU 29 HB2 GLU 29 -6.232 -0.824 8.651 231 HB3 GLU 29 HB1 GLU 29 -5.150 0.489 8.211 232 HG2 GLU 29 HG2 GLU 29 -6.939 1.390 6.741 233 HG3 GLU 29 HG1 GLU 29 -8.016 0.140 7.367 234 H GLU 30 HN GLU 30 -6.600 -0.020 4.540 235 HA GLU 30 HA GLU 30 -8.963 -1.648 4.628 236 HB2 GLU 30 HB2 GLU 30 -8.041 0.667 3.160 237 HB3 GLU 30 HB1 GLU 30 -8.781 -0.504 2.076 238 HG2 GLU 30 HG2 GLU 30 -10.501 0.945 2.743 239 HG3 GLU 30 HG1 GLU 30 -10.746 -0.546 3.646 240 H ILE 31 HN ILE 31 -6.091 -1.514 2.531 241 HA ILE 31 HA ILE 31 -6.931 -3.691 0.900 242 HB ILE 31 HB ILE 31 -5.358 -1.927 0.124 243 HG12 ILE 31 HG12 ILE 31 -3.681 -3.671 -0.890 244 HG13 ILE 31 HG11 ILE 31 -4.730 -4.844 -0.099 245 HG21 ILE 31 HG21 ILE 31 -3.266 -3.393 1.720 246 HG22 ILE 31 HG22 ILE 31 -3.983 -1.854 2.198 247 HG23 ILE 31 HG23 ILE 31 -3.039 -1.963 0.710 248 HD11 ILE 31 HD11 ILE 31 -6.608 -4.130 -1.373 249 HD12 ILE 31 HD12 ILE 31 -5.267 -4.411 -2.484 250 HD13 ILE 31 HD13 ILE 31 -5.708 -2.763 -2.031 251 H ALA 32 HN ALA 32 -4.888 -3.433 3.764 252 HA ALA 32 HA ALA 32 -3.842 -6.070 3.644 253 HB1 ALA 32 HB1 ALA 32 -3.018 -5.691 5.846 254 HB2 ALA 32 HB2 ALA 32 -4.176 -4.391 6.119 255 HB3 ALA 32 HB3 ALA 32 -2.867 -4.176 4.959 256 H ARG 33 HN ARG 33 -6.685 -4.655 5.181 257 HA ARG 33 HA ARG 33 -7.411 -6.983 6.640 258 HB2 ARG 33 HB2 ARG 33 -8.184 -4.425 6.766 259 HB3 ARG 33 HB1 ARG 33 -9.517 -5.070 5.814 260 HG2 ARG 33 HG2 ARG 33 -10.031 -6.671 7.538 261 HG3 ARG 33 HG1 ARG 33 -8.625 -6.160 8.474 262 HD2 ARG 33 HD2 ARG 33 -9.588 -3.929 8.705 263 HD3 ARG 33 HD1 ARG 33 -10.989 -4.433 7.761 264 HE ARG 33 HE ARG 33 -10.849 -6.214 9.836 265 HH11 ARG 33 HH12 ARG 33 -11.096 -2.751 9.531 266 HH12 ARG 33 HH11 ARG 33 -11.975 -2.554 11.009 267 HH21 ARG 33 HH21 ARG 33 -12.006 -5.969 11.780 268 HH22 ARG 33 HH22 ARG 33 -12.493 -4.386 12.290 269 H ARG 34 HN ARG 34 -8.134 -5.828 3.402 270 HA ARG 34 HA ARG 34 -10.282 -7.637 2.931 271 HB2 ARG 34 HB2 ARG 34 -9.771 -5.416 1.751 272 HB3 ARG 34 HB1 ARG 34 -8.596 -6.326 0.812 273 HG2 ARG 34 HG2 ARG 34 -11.262 -7.537 0.914 274 HG3 ARG 34 HG1 ARG 34 -11.193 -5.962 0.117 275 HD2 ARG 34 HD2 ARG 34 -9.181 -6.911 -1.142 276 HD3 ARG 34 HD1 ARG 34 -9.726 -8.484 -0.570 277 HE ARG 34 HE ARG 34 -11.752 -8.184 -1.819 278 HH11 ARG 34 HH12 ARG 34 -9.258 -5.834 -2.487 279 HH12 ARG 34 HH11 ARG 34 -9.919 -5.385 -4.022 280 HH21 ARG 34 HH22 ARG 34 -12.621 -7.597 -3.842 281 HH22 ARG 34 HH21 ARG 34 -11.828 -6.386 -4.792 282 H LEU 35 HN LEU 35 -6.813 -7.842 2.663 283 HA LEU 35 HA LEU 35 -7.031 -10.342 1.153 284 HB2 LEU 35 HB2 LEU 35 -4.666 -8.604 1.820 285 HB3 LEU 35 HB1 LEU 35 -4.530 -10.155 1.015 286 HG LEU 35 HG LEU 35 -6.286 -8.025 -0.150 287 HD11 LEU 35 HD11 LEU 35 -4.133 -6.947 0.283 288 HD12 LEU 35 HD12 LEU 35 -4.410 -7.182 -1.443 289 HD13 LEU 35 HD13 LEU 35 -3.311 -8.251 -0.570 290 HD21 LEU 35 HD21 LEU 35 -5.685 -9.152 -2.238 291 HD22 LEU 35 HD22 LEU 35 -6.403 -10.272 -1.080 292 HD23 LEU 35 HD23 LEU 35 -4.659 -10.269 -1.339 293 H GLY 36 HN GLY 36 -6.523 -9.200 4.339 294 HA2 GLY 36 HA2 GLY 36 -6.496 -10.495 6.279 295 HA3 GLY 36 HA1 GLY 36 -6.252 -11.925 5.292 296 H LEU 37 HN LEU 37 -4.364 -8.915 5.595 297 HA LEU 37 HA LEU 37 -2.110 -10.519 6.589 298 HB2 LEU 37 HB2 LEU 37 -1.769 -8.269 4.623 299 HB3 LEU 37 HB1 LEU 37 -0.556 -9.402 5.178 300 HG LEU 37 HG LEU 37 -2.923 -10.475 3.713 301 HD11 LEU 37 HD11 LEU 37 -1.758 -10.135 1.575 302 HD12 LEU 37 HD12 LEU 37 -0.567 -9.129 2.401 303 HD13 LEU 37 HD13 LEU 37 -2.250 -8.615 2.321 304 HD21 LEU 37 HD21 LEU 37 -1.304 -12.001 4.705 305 HD22 LEU 37 HD22 LEU 37 -0.001 -11.219 3.811 306 HD23 LEU 37 HD23 LEU 37 -1.261 -12.098 2.945 307 H SER 38 HN SER 38 -0.262 -8.858 7.203 308 HA SER 38 HA SER 38 -1.513 -6.990 9.091 309 HB2 SER 38 HB2 SER 38 1.285 -8.150 9.084 310 HB3 SER 38 HB1 SER 38 0.615 -7.091 10.327 311 HG SER 38 HG SER 38 -0.184 -9.725 9.660 312 HA PRO 39 HA PRO 39 -0.196 -3.623 6.475 313 HB2 PRO 39 HB2 PRO 39 -0.595 -1.977 8.887 314 HB3 PRO 39 HB1 PRO 39 -1.394 -1.879 7.313 315 HG2 PRO 39 HG2 PRO 39 -2.679 -2.786 9.477 316 HG3 PRO 39 HG1 PRO 39 -2.989 -3.438 7.856 317 HD2 PRO 39 HD2 PRO 39 -1.396 -4.607 10.088 318 HD3 PRO 39 HD1 PRO 39 -2.473 -5.405 8.923 319 H GLU 40 HN GLU 40 1.250 -4.422 9.535 320 HA GLU 40 HA GLU 40 3.325 -2.453 9.455 321 HB2 GLU 40 HB2 GLU 40 2.875 -4.948 11.070 322 HB3 GLU 40 HB1 GLU 40 4.342 -3.992 11.233 323 HG2 GLU 40 HG2 GLU 40 3.013 -2.051 11.871 324 HG3 GLU 40 HG1 GLU 40 1.539 -2.999 11.690 325 H ASP 41 HN ASP 41 2.865 -5.508 7.956 326 HA ASP 41 HA ASP 41 5.725 -5.872 7.467 327 HB2 ASP 41 HB2 ASP 41 3.328 -7.634 6.963 328 HB3 ASP 41 HB1 ASP 41 4.932 -8.019 6.347 329 H ILE 42 HN ILE 42 2.836 -4.822 5.870 330 HA ILE 42 HA ILE 42 4.020 -5.049 3.223 331 HB ILE 42 HB ILE 42 1.472 -3.572 3.630 332 HG12 ILE 42 HG12 ILE 42 1.558 -6.590 3.690 333 HG13 ILE 42 HG11 ILE 42 1.411 -5.612 5.142 334 HG21 ILE 42 HG21 ILE 42 2.420 -5.595 1.605 335 HG22 ILE 42 HG22 ILE 42 2.405 -3.844 1.406 336 HG23 ILE 42 HG23 ILE 42 0.885 -4.726 1.548 337 HD11 ILE 42 HD11 ILE 42 -0.542 -5.840 2.875 338 HD12 ILE 42 HD12 ILE 42 -0.652 -4.606 4.130 339 HD13 ILE 42 HD13 ILE 42 -0.764 -6.313 4.559 340 H LYS 43 HN LYS 43 5.107 -3.490 2.249 341 HA LYS 43 HA LYS 43 4.823 -0.745 3.269 342 HB2 LYS 43 HB2 LYS 43 7.110 -2.225 3.357 343 HB3 LYS 43 HB1 LYS 43 7.301 -1.395 1.818 344 HG2 LYS 43 HG2 LYS 43 7.120 0.742 2.869 345 HG3 LYS 43 HG1 LYS 43 6.685 0.002 4.411 346 HD2 LYS 43 HD2 LYS 43 8.934 -1.145 4.358 347 HD3 LYS 43 HD1 LYS 43 9.338 -0.105 2.990 348 HE2 LYS 43 HE2 LYS 43 8.945 1.871 4.367 349 HE3 LYS 43 HE1 LYS 43 8.506 0.841 5.730 350 HZ1 LYS 43 HZ1 LYS 43 10.744 -0.057 5.737 351 HZ2 LYS 43 HZ2 LYS 43 10.790 1.628 5.890 352 HZ3 LYS 43 HZ3 LYS 43 11.167 0.902 4.408 353 H LEU 44 HN LEU 44 4.422 0.841 1.846 354 HA LEU 44 HA LEU 44 3.866 0.051 -0.903 355 HB2 LEU 44 HB2 LEU 44 3.221 2.537 0.677 356 HB3 LEU 44 HB1 LEU 44 2.864 2.366 -1.031 357 HG LEU 44 HG LEU 44 1.629 0.166 -0.143 358 HD11 LEU 44 HD11 LEU 44 1.461 2.099 2.164 359 HD12 LEU 44 HD12 LEU 44 2.243 0.519 2.188 360 HD13 LEU 44 HD13 LEU 44 0.496 0.634 1.971 361 HD21 LEU 44 HD21 LEU 44 0.507 2.964 -0.065 362 HD22 LEU 44 HD22 LEU 44 -0.446 1.480 -0.125 363 HD23 LEU 44 HD23 LEU 44 0.602 1.911 -1.477 364 H THR 45 HN THR 45 5.166 0.536 -2.555 365 HA THR 45 HA THR 45 7.207 2.619 -2.132 366 HB THR 45 HB THR 45 7.748 0.347 -3.990 367 HG1 THR 45 HG1 THR 45 8.661 -0.793 -2.168 368 HG21 THR 45 HG21 THR 45 10.060 0.779 -3.280 369 HG22 THR 45 HG22 THR 45 9.482 2.015 -2.165 370 HG23 THR 45 HG23 THR 45 9.292 2.238 -3.904 371 H HIS 46 HN HIS 46 7.166 4.230 -3.520 372 HA HIS 46 HA HIS 46 6.065 3.802 -6.209 373 HB2 HIS 46 HB2 HIS 46 4.590 5.056 -4.351 374 HB3 HIS 46 HB1 HIS 46 5.548 6.423 -4.907 375 HD1 HIS 46 HD1 HIS 46 4.459 7.678 -6.724 376 HD2 HIS 46 HD2 HIS 46 3.384 3.663 -6.780 377 HE1 HIS 46 HE1 HIS 46 2.858 7.438 -8.645 378 HE2 HIS 46 HE2 HIS 46 2.213 5.002 -8.660 379 H ASN 47 HN ASN 47 7.526 4.307 -7.674 380 HA ASN 47 HA ASN 47 9.231 5.288 -8.802 381 HB2 ASN 47 HB2 ASN 47 8.626 7.554 -6.901 382 HB3 ASN 47 HB1 ASN 47 9.825 7.673 -8.185 383 HD21 ASN 47 HD21 ASN 47 6.532 7.784 -7.360 384 HD22 ASN 47 HD22 ASN 47 5.905 8.071 -8.940 385 H GLY 48 HN GLY 48 9.687 3.680 -6.328 386 HA2 GLY 48 HA2 GLY 48 11.753 2.819 -5.590 387 HA3 GLY 48 HA1 GLY 48 12.525 4.318 -6.080 388 H LYS 49 HN LYS 49 10.123 5.647 -4.566 389 HA LYS 49 HA LYS 49 11.523 5.653 -1.986 390 HB2 LYS 49 HB2 LYS 49 9.624 7.595 -3.290 391 HB3 LYS 49 HB1 LYS 49 10.050 7.711 -1.588 392 HG2 LYS 49 HG2 LYS 49 12.404 7.947 -2.186 393 HG3 LYS 49 HG1 LYS 49 11.981 7.827 -3.896 394 HD2 LYS 49 HD2 LYS 49 10.628 9.853 -3.707 395 HD3 LYS 49 HD1 LYS 49 11.028 9.964 -1.992 396 HE2 LYS 49 HE2 LYS 49 12.495 11.458 -3.056 397 HE3 LYS 49 HE1 LYS 49 13.464 10.023 -2.723 398 HZ1 LYS 49 HZ1 LYS 49 13.840 10.864 -4.960 399 HZ2 LYS 49 HZ2 LYS 49 12.201 10.675 -5.332 400 HZ3 LYS 49 HZ3 LYS 49 13.156 9.318 -5.007 401 H THR 50 HN THR 50 10.491 5.266 -0.056 402 HA THR 50 HA THR 50 8.011 3.748 -0.271 403 HB THR 50 HB THR 50 8.552 3.277 2.221 404 HG1 THR 50 HG1 THR 50 10.376 5.025 1.841 405 HG21 THR 50 HG21 THR 50 10.345 2.260 0.012 406 HG22 THR 50 HG22 THR 50 8.768 1.608 0.453 407 HG23 THR 50 HG23 THR 50 10.119 1.488 1.582 408 H LEU 51 HN LEU 51 6.242 4.102 1.121 409 HA LEU 51 HA LEU 51 5.911 6.923 1.845 410 HB2 LEU 51 HB2 LEU 51 3.966 4.708 1.262 411 HB3 LEU 51 HB1 LEU 51 3.457 6.222 1.985 412 HG LEU 51 HG LEU 51 4.756 7.210 -0.132 413 HD11 LEU 51 HD11 LEU 51 5.434 5.037 -0.988 414 HD12 LEU 51 HD12 LEU 51 4.317 5.828 -2.099 415 HD13 LEU 51 HD13 LEU 51 3.749 4.524 -1.059 416 HD21 LEU 51 HD21 LEU 51 1.941 6.135 -0.090 417 HD22 LEU 51 HD22 LEU 51 2.563 7.284 -1.276 418 HD23 LEU 51 HD23 LEU 51 2.475 7.734 0.427 419 H ASP 52 HN ASP 52 5.487 7.597 3.873 420 HA ASP 52 HA ASP 52 5.787 5.645 6.015 421 HB2 ASP 52 HB2 ASP 52 6.943 8.044 5.727 422 HB3 ASP 52 HB1 ASP 52 5.504 8.545 6.612 423 HA PRO 53 HA PRO 53 1.448 5.505 6.954 424 HB2 PRO 53 HB2 PRO 53 2.220 5.086 9.763 425 HB3 PRO 53 HB1 PRO 53 1.341 4.014 8.669 426 HG2 PRO 53 HG2 PRO 53 3.862 3.500 9.421 427 HG3 PRO 53 HG1 PRO 53 3.247 3.075 7.812 428 HD2 PRO 53 HD2 PRO 53 5.007 5.337 8.626 429 HD3 PRO 53 HD1 PRO 53 5.047 4.339 7.159 430 H SER 54 HN SER 54 3.621 7.620 8.682 431 HA SER 54 HA SER 54 1.522 8.992 10.107 432 HB2 SER 54 HB2 SER 54 4.457 9.632 9.770 433 HB3 SER 54 HB1 SER 54 3.352 10.511 10.828 434 HG SER 54 HG SER 54 4.467 8.926 11.991 435 H LEU 55 HN LEU 55 3.173 9.383 7.057 436 HA LEU 55 HA LEU 55 2.369 12.119 6.752 437 HB2 LEU 55 HB2 LEU 55 3.827 10.115 5.083 438 HB3 LEU 55 HB1 LEU 55 3.338 11.645 4.444 439 HG LEU 55 HG LEU 55 4.994 11.524 6.929 440 HD11 LEU 55 HD11 LEU 55 6.157 10.186 5.238 441 HD12 LEU 55 HD12 LEU 55 7.007 11.691 5.586 442 HD13 LEU 55 HD13 LEU 55 6.057 11.536 4.109 443 HD21 LEU 55 HD21 LEU 55 5.740 13.730 6.138 444 HD22 LEU 55 HD22 LEU 55 3.995 13.660 6.379 445 HD23 LEU 55 HD23 LEU 55 4.662 13.578 4.749 446 H THR 56 HN THR 56 1.603 12.409 4.254 447 HA THR 56 HA THR 56 -0.895 10.864 4.042 448 HB THR 56 HB THR 56 -1.901 12.835 2.935 449 HG1 THR 56 HG1 THR 56 -0.352 14.799 3.654 450 HG21 THR 56 HG21 THR 56 -0.759 13.259 5.692 451 HG22 THR 56 HG22 THR 56 -2.341 12.606 5.270 452 HG23 THR 56 HG23 THR 56 -1.981 14.306 4.971 453 H LEU 57 HN LEU 57 -1.771 10.652 1.849 454 HA LEU 57 HA LEU 57 0.235 9.711 0.050 455 HB2 LEU 57 HB2 LEU 57 -2.753 9.996 -0.223 456 HB3 LEU 57 HB1 LEU 57 -1.730 9.241 -1.432 457 HG LEU 57 HG LEU 57 -1.570 8.205 1.355 458 HD11 LEU 57 HD11 LEU 57 -3.969 8.433 1.020 459 HD12 LEU 57 HD12 LEU 57 -3.483 6.739 0.998 460 HD13 LEU 57 HD13 LEU 57 -3.847 7.571 -0.513 461 HD21 LEU 57 HD21 LEU 57 -0.119 7.316 -0.393 462 HD22 LEU 57 HD22 LEU 57 -1.532 6.895 -1.362 463 HD23 LEU 57 HD23 LEU 57 -1.246 6.090 0.182 464 H ALA 58 HN ALA 58 -1.747 12.595 0.241 465 HA ALA 58 HA ALA 58 -1.144 13.479 -2.424 466 HB1 ALA 58 HB1 ALA 58 -2.350 15.497 -1.824 467 HB2 ALA 58 HB2 ALA 58 -2.348 15.011 -0.128 468 HB3 ALA 58 HB3 ALA 58 -3.248 14.065 -1.313 469 H GLU 59 HN GLU 59 0.634 13.487 0.437 470 HA GLU 59 HA GLU 59 1.992 16.006 -0.004 471 HB2 GLU 59 HB2 GLU 59 1.571 14.636 2.244 472 HB3 GLU 59 HB1 GLU 59 3.122 13.932 1.808 473 HG2 GLU 59 HG2 GLU 59 3.717 15.687 3.186 474 HG3 GLU 59 HG1 GLU 59 3.917 16.368 1.572 475 H TYR 60 HN TYR 60 2.284 12.764 -1.023 476 HA TYR 60 HA TYR 60 5.098 12.966 -1.675 477 HB2 TYR 60 HB2 TYR 60 3.029 10.821 -1.681 478 HB3 TYR 60 HB1 TYR 60 4.422 10.634 -2.732 479 HD1 TYR 60 HD1 TYR 60 6.669 10.355 -1.788 480 HD2 TYR 60 HD2 TYR 60 3.251 10.713 0.720 481 HE1 TYR 60 HE1 TYR 60 7.987 9.536 0.119 482 HE2 TYR 60 HE2 TYR 60 4.558 9.895 2.634 483 HH TYR 60 HH TYR 60 6.641 8.473 2.966 484 H GLY 61 HN GLY 61 2.057 13.538 -3.175 485 HA2 GLY 61 HA2 GLY 61 1.758 14.631 -5.227 486 HA3 GLY 61 HA1 GLY 61 3.419 14.242 -5.651 487 H ILE 62 HN ILE 62 0.732 12.125 -4.656 488 HA ILE 62 HA ILE 62 1.096 10.680 -7.198 489 HB ILE 62 HB ILE 62 -0.065 9.483 -4.694 490 HG12 ILE 62 HG12 ILE 62 2.693 8.763 -5.489 491 HG13 ILE 62 HG11 ILE 62 2.492 10.361 -4.773 492 HG21 ILE 62 HG21 ILE 62 1.120 8.250 -7.176 493 HG22 ILE 62 HG22 ILE 62 -0.596 8.344 -6.778 494 HG23 ILE 62 HG23 ILE 62 0.487 7.366 -5.787 495 HD11 ILE 62 HD11 ILE 62 3.069 8.686 -3.104 496 HD12 ILE 62 HD12 ILE 62 1.630 7.760 -3.531 497 HD13 ILE 62 HD13 ILE 62 1.466 9.361 -2.812 498 H THR 63 HN THR 63 -0.667 10.112 -8.404 499 HA THR 63 HA THR 63 -3.264 11.167 -7.505 500 HB THR 63 HB THR 63 -3.765 11.358 -10.006 501 HG1 THR 63 HG1 THR 63 -1.585 10.128 -10.334 502 HG21 THR 63 HG21 THR 63 -3.349 13.308 -8.588 503 HG22 THR 63 HG22 THR 63 -2.646 13.535 -10.187 504 HG23 THR 63 HG23 THR 63 -1.613 13.117 -8.822 505 HA PRO 64 HA PRO 64 -5.014 7.147 -8.021 506 HB2 PRO 64 HB2 PRO 64 -7.419 8.249 -9.261 507 HB3 PRO 64 HB1 PRO 64 -7.224 7.508 -7.671 508 HG2 PRO 64 HG2 PRO 64 -7.703 10.142 -7.974 509 HG3 PRO 64 HG1 PRO 64 -6.736 9.491 -6.637 510 HD2 PRO 64 HD2 PRO 64 -5.824 10.814 -9.153 511 HD3 PRO 64 HD1 PRO 64 -5.199 10.973 -7.498 512 H GLY 65 HN GLY 65 -5.331 5.512 -9.512 513 HA2 GLY 65 HA2 GLY 65 -5.845 4.684 -11.692 514 HA3 GLY 65 HA1 GLY 65 -5.448 6.263 -12.348 515 H SER 66 HN SER 66 -3.163 5.418 -10.076 516 HA SER 66 HA SER 66 -1.302 4.612 -12.193 517 HB2 SER 66 HB2 SER 66 0.464 5.218 -10.491 518 HB3 SER 66 HB1 SER 66 -0.551 6.562 -11.012 519 HG SER 66 HG SER 66 -1.375 6.711 -9.064 520 H THR 67 HN THR 67 0.303 2.970 -11.707 521 HA THR 67 HA THR 67 -0.893 0.741 -10.284 522 HB THR 67 HB THR 67 1.202 -0.461 -11.222 523 HG1 THR 67 HG1 THR 67 2.212 0.616 -12.918 524 HG21 THR 67 HG21 THR 67 -1.081 -0.710 -12.117 525 HG22 THR 67 HG22 THR 67 0.133 -0.742 -13.396 526 HG23 THR 67 HG23 THR 67 -0.826 0.714 -13.128 527 H ILE 68 HN ILE 68 -0.376 0.224 -8.258 528 HA ILE 68 HA ILE 68 2.118 1.324 -7.134 529 HB ILE 68 HB ILE 68 -0.279 0.400 -5.553 530 HG12 ILE 68 HG12 ILE 68 0.331 3.291 -5.814 531 HG13 ILE 68 HG11 ILE 68 -0.386 2.514 -7.220 532 HG21 ILE 68 HG21 ILE 68 0.747 1.674 -3.740 533 HG22 ILE 68 HG22 ILE 68 2.088 2.112 -4.798 534 HG23 ILE 68 HG23 ILE 68 1.842 0.428 -4.337 535 HD11 ILE 68 HD11 ILE 68 -1.548 2.489 -4.445 536 HD12 ILE 68 HD12 ILE 68 -2.281 1.810 -5.899 537 HD13 ILE 68 HD13 ILE 68 -2.054 3.553 -5.757 538 H THR 69 HN THR 69 3.627 0.001 -6.314 539 HA THR 69 HA THR 69 3.103 -2.879 -6.377 540 HB THR 69 HB THR 69 5.757 -2.792 -6.205 541 HG1 THR 69 HG1 THR 69 5.827 -0.491 -6.130 542 HG21 THR 69 HG21 THR 69 4.131 -2.357 -8.705 543 HG22 THR 69 HG22 THR 69 4.613 -3.901 -8.003 544 HG23 THR 69 HG23 THR 69 5.828 -2.833 -8.704 545 H LEU 70 HN LEU 70 3.334 -4.085 -4.564 546 HA LEU 70 HA LEU 70 4.094 -2.656 -2.108 547 HB2 LEU 70 HB2 LEU 70 2.769 -4.271 -0.890 548 HB3 LEU 70 HB1 LEU 70 1.807 -3.534 -2.156 549 HG LEU 70 HG LEU 70 2.791 -5.782 -3.388 550 HD11 LEU 70 HD11 LEU 70 2.274 -7.629 -1.842 551 HD12 LEU 70 HD12 LEU 70 2.109 -6.462 -0.531 552 HD13 LEU 70 HD13 LEU 70 3.668 -6.683 -1.325 553 HD21 LEU 70 HD21 LEU 70 0.192 -5.325 -1.937 554 HD22 LEU 70 HD22 LEU 70 0.481 -6.646 -3.069 555 HD23 LEU 70 HD23 LEU 70 0.548 -4.975 -3.628 556 H GLU 71 HN GLU 71 5.194 -3.931 -0.431 557 HA GLU 71 HA GLU 71 6.822 -6.139 -1.460 558 HB2 GLU 71 HB2 GLU 71 7.856 -3.589 -0.228 559 HB3 GLU 71 HB1 GLU 71 8.795 -5.074 -0.196 560 HG2 GLU 71 HG2 GLU 71 8.703 -5.153 -2.655 561 HG3 GLU 71 HG1 GLU 71 7.834 -3.621 -2.651 562 H ILE 72 HN ILE 72 7.264 -7.717 0.016 563 HA ILE 72 HA ILE 72 6.362 -7.249 2.786 564 HB ILE 72 HB ILE 72 6.215 -9.943 1.449 565 HG12 ILE 72 HG12 ILE 72 3.701 -8.433 1.821 566 HG13 ILE 72 HG11 ILE 72 4.742 -7.861 0.521 567 HG21 ILE 72 HG21 ILE 72 4.607 -10.409 3.242 568 HG22 ILE 72 HG22 ILE 72 4.843 -8.777 3.869 569 HG23 ILE 72 HG23 ILE 72 6.179 -9.928 3.877 570 HD11 ILE 72 HD11 ILE 72 3.694 -10.663 0.838 571 HD12 ILE 72 HD12 ILE 72 4.733 -10.090 -0.466 572 HD13 ILE 72 HD13 ILE 72 3.100 -9.449 -0.296 573 H LYS 73 HN LYS 73 7.570 -8.169 4.437 574 HA LYS 73 HA LYS 73 10.278 -8.968 3.661 575 HB2 LYS 73 HB2 LYS 73 9.100 -7.896 6.214 576 HB3 LYS 73 HB1 LYS 73 10.703 -8.620 6.170 577 HG2 LYS 73 HG2 LYS 73 11.414 -6.964 4.528 578 HG3 LYS 73 HG1 LYS 73 9.805 -6.239 4.562 579 HD2 LYS 73 HD2 LYS 73 10.093 -5.742 6.948 580 HD3 LYS 73 HD1 LYS 73 11.712 -6.445 6.891 581 HE2 LYS 73 HE2 LYS 73 12.373 -4.764 5.237 582 HE3 LYS 73 HE1 LYS 73 10.760 -4.058 5.314 583 HZ1 LYS 73 HZ1 LYS 73 12.676 -4.234 7.575 584 HZ2 LYS 73 HZ2 LYS 73 11.133 -3.547 7.643 585 HZ3 LYS 73 HZ3 LYS 73 12.331 -2.839 6.682 586 H LYS 74 HN LYS 74 11.258 -10.830 4.420 587 HA LYS 74 HA LYS 74 9.394 -12.882 5.399 588 HB2 LYS 74 HB2 LYS 74 11.929 -13.052 3.782 589 HB3 LYS 74 HB1 LYS 74 11.244 -14.461 4.579 590 HG2 LYS 74 HG2 LYS 74 9.176 -14.173 3.312 591 HG3 LYS 74 HG1 LYS 74 9.868 -12.763 2.508 592 HD2 LYS 74 HD2 LYS 74 11.644 -14.178 1.577 593 HD3 LYS 74 HD1 LYS 74 10.932 -15.584 2.372 594 HE2 LYS 74 HE2 LYS 74 8.881 -15.278 1.073 595 HE3 LYS 74 HE1 LYS 74 9.591 -13.871 0.282 596 HZ1 LYS 74 HZ1 LYS 74 9.761 -15.843 -1.098 597 HZ2 LYS 74 HZ2 LYS 74 10.621 -16.652 0.113 598 HZ3 LYS 74 HZ3 LYS 74 11.301 -15.303 -0.647 599 H LYS 75 HN LYS 75 9.967 -14.231 7.116 600 HA LYS 75 HA LYS 75 12.172 -13.210 8.781 601 HB2 LYS 75 HB2 LYS 75 9.520 -14.431 9.511 602 HB3 LYS 75 HB1 LYS 75 10.843 -14.346 10.664 603 HG2 LYS 75 HG2 LYS 75 10.887 -11.912 10.433 604 HG3 LYS 75 HG1 LYS 75 9.551 -12.001 9.283 605 HD2 LYS 75 HD2 LYS 75 8.141 -13.010 11.021 606 HD3 LYS 75 HD1 LYS 75 9.478 -12.895 12.166 607 HE2 LYS 75 HE2 LYS 75 9.473 -10.460 11.926 608 HE3 LYS 75 HE1 LYS 75 8.141 -10.575 10.776 609 HZ1 LYS 75 HZ1 LYS 75 6.765 -11.525 12.517 610 HZ2 LYS 75 HZ2 LYS 75 7.356 -10.014 12.990 611 HZ3 LYS 75 HZ3 LYS 75 8.043 -11.425 13.620 612 H GLY 76 HN GLY 76 13.440 -14.714 9.970 613 HA2 GLY 76 HA2 GLY 76 13.604 -17.333 8.639 614 HA3 GLY 76 HA1 GLY 76 14.921 -16.541 9.489 615 H GLY 77 HN GLY 77 15.343 -17.186 11.510 616 HA2 GLY 77 HA2 GLY 77 13.313 -18.867 12.842 617 HA3 GLY 77 HA1 GLY 77 15.048 -19.069 13.033 618 H LEU 78 HN LEU 78 12.270 -17.131 13.879 619 HA LEU 78 HA LEU 78 13.854 -15.880 16.026 620 HB2 LEU 78 HB2 LEU 78 11.483 -14.804 14.500 621 HB3 LEU 78 HB1 LEU 78 12.103 -14.068 15.965 622 HG LEU 78 HG LEU 78 13.979 -14.501 13.684 623 HD11 LEU 78 HD11 LEU 78 13.347 -12.330 12.743 624 HD12 LEU 78 HD12 LEU 78 11.983 -12.249 13.859 625 HD13 LEU 78 HD13 LEU 78 12.039 -13.506 12.622 626 HD21 LEU 78 HD21 LEU 78 14.976 -12.454 14.572 627 HD22 LEU 78 HD22 LEU 78 14.830 -13.691 15.820 628 HD23 LEU 78 HD23 LEU 78 13.691 -12.346 15.774 629 H GLU 79 HN GLU 79 10.677 -17.171 15.139 630 HA GLU 79 HA GLU 79 10.138 -17.623 18.000 631 HB2 GLU 79 HB2 GLU 79 8.264 -17.033 15.713 632 HB3 GLU 79 HB1 GLU 79 7.698 -17.716 17.230 633 HG2 GLU 79 HG2 GLU 79 8.528 -15.776 18.435 634 HG3 GLU 79 HG1 GLU 79 9.151 -15.096 16.932 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -10.604 9.893 -13.398 2 H2 MET 1 HT2 MET 1 -9.572 9.251 -14.576 3 H3 MET 1 HT3 MET 1 -8.935 10.134 -13.280 4 HA MET 1 HA MET 1 -10.352 7.548 -13.051 5 HB2 MET 1 HB2 MET 1 -7.432 8.275 -13.095 6 HB3 MET 1 HB1 MET 1 -7.990 6.825 -12.274 7 HG2 MET 1 HG2 MET 1 -7.319 6.134 -14.413 8 HG3 MET 1 HG1 MET 1 -9.079 6.158 -14.449 9 HE1 MET 1 HE1 MET 1 -9.075 6.038 -17.035 10 HE2 MET 1 HE2 MET 1 -7.316 6.072 -17.155 11 HE3 MET 1 HE3 MET 1 -8.287 7.198 -18.104 12 H ASP 2 HN ASP 2 -10.446 6.700 -10.952 13 HA ASP 2 HA ASP 2 -9.759 8.547 -8.773 14 HB2 ASP 2 HB2 ASP 2 -12.421 7.205 -9.257 15 HB3 ASP 2 HB1 ASP 2 -11.957 7.843 -7.682 16 H THR 3 HN THR 3 -9.698 5.426 -10.045 17 HA THR 3 HA THR 3 -9.144 4.248 -7.405 18 HB THR 3 HB THR 3 -9.484 2.027 -8.618 19 HG1 THR 3 HG1 THR 3 -9.468 3.337 -10.742 20 HG21 THR 3 HG21 THR 3 -11.832 3.913 -8.377 21 HG22 THR 3 HG22 THR 3 -11.142 2.945 -7.076 22 HG23 THR 3 HG23 THR 3 -11.929 2.153 -8.440 23 H ILE 4 HN ILE 4 -7.381 2.788 -7.203 24 HA ILE 4 HA ILE 4 -5.271 3.158 -9.232 25 HB ILE 4 HB ILE 4 -3.645 2.887 -7.315 26 HG12 ILE 4 HG12 ILE 4 -5.775 3.836 -5.464 27 HG13 ILE 4 HG11 ILE 4 -5.750 2.119 -5.841 28 HG21 ILE 4 HG21 ILE 4 -3.891 5.248 -6.586 29 HG22 ILE 4 HG22 ILE 4 -5.458 5.292 -7.394 30 HG23 ILE 4 HG23 ILE 4 -3.987 5.035 -8.332 31 HD11 ILE 4 HD11 ILE 4 -3.456 3.695 -4.703 32 HD12 ILE 4 HD12 ILE 4 -3.459 1.965 -5.051 33 HD13 ILE 4 HD13 ILE 4 -4.522 2.616 -3.802 34 H ASN 5 HN ASN 5 -3.645 1.419 -9.296 35 HA ASN 5 HA ASN 5 -4.911 -1.175 -8.948 36 HB2 ASN 5 HB2 ASN 5 -2.697 -0.085 -10.617 37 HB3 ASN 5 HB1 ASN 5 -2.820 -1.796 -10.358 38 HD21 ASN 5 HD21 ASN 5 -3.003 -0.412 -12.798 39 HD22 ASN 5 HD22 ASN 5 -4.559 -0.744 -13.442 40 H ILE 6 HN ILE 6 -3.795 -2.905 -8.023 41 HA ILE 6 HA ILE 6 -1.519 -2.216 -6.279 42 HB ILE 6 HB ILE 6 -3.668 -4.186 -5.498 43 HG12 ILE 6 HG12 ILE 6 -4.671 -1.923 -5.687 44 HG13 ILE 6 HG11 ILE 6 -4.644 -2.514 -4.032 45 HG21 ILE 6 HG21 ILE 6 -1.589 -4.548 -4.380 46 HG22 ILE 6 HG22 ILE 6 -2.721 -3.832 -3.234 47 HG23 ILE 6 HG23 ILE 6 -1.458 -2.840 -3.963 48 HD11 ILE 6 HD11 ILE 6 -2.645 -1.124 -3.611 49 HD12 ILE 6 HD12 ILE 6 -4.066 -0.184 -4.073 50 HD13 ILE 6 HD13 ILE 6 -2.786 -0.483 -5.250 51 H THR 7 HN THR 7 0.210 -3.385 -6.895 52 HA THR 7 HA THR 7 -0.251 -5.920 -8.301 53 HB THR 7 HB THR 7 2.454 -4.658 -8.151 54 HG1 THR 7 HG1 THR 7 0.198 -3.672 -9.514 55 HG21 THR 7 HG21 THR 7 2.152 -6.843 -9.231 56 HG22 THR 7 HG22 THR 7 2.648 -5.612 -10.394 57 HG23 THR 7 HG23 THR 7 0.964 -6.133 -10.324 58 H LEU 8 HN LEU 8 -0.097 -7.697 -7.138 59 HA LEU 8 HA LEU 8 1.480 -7.723 -4.689 60 HB2 LEU 8 HB2 LEU 8 -0.948 -8.855 -5.582 61 HB3 LEU 8 HB1 LEU 8 0.153 -10.179 -5.356 62 HG LEU 8 HG LEU 8 0.516 -8.783 -3.035 63 HD11 LEU 8 HD11 LEU 8 -2.448 -8.732 -3.461 64 HD12 LEU 8 HD12 LEU 8 -1.446 -7.342 -3.880 65 HD13 LEU 8 HD13 LEU 8 -1.484 -7.932 -2.220 66 HD21 LEU 8 HD21 LEU 8 -0.862 -10.529 -2.010 67 HD22 LEU 8 HD22 LEU 8 0.214 -11.186 -3.243 68 HD23 LEU 8 HD23 LEU 8 -1.498 -10.956 -3.597 69 HA PRO 9 HA PRO 9 4.689 -10.268 -6.460 70 HB2 PRO 9 HB2 PRO 9 4.719 -12.086 -4.176 71 HB3 PRO 9 HB1 PRO 9 5.924 -10.886 -4.658 72 HG2 PRO 9 HG2 PRO 9 4.399 -10.595 -2.449 73 HG3 PRO 9 HG1 PRO 9 4.989 -9.222 -3.405 74 HD2 PRO 9 HD2 PRO 9 2.279 -10.474 -3.378 75 HD3 PRO 9 HD1 PRO 9 2.734 -8.761 -3.469 76 H ASP 10 HN ASP 10 1.614 -11.450 -5.883 77 HA ASP 10 HA ASP 10 2.181 -14.189 -6.708 78 HB2 ASP 10 HB2 ASP 10 -0.310 -12.748 -5.821 79 HB3 ASP 10 HB1 ASP 10 -0.388 -14.353 -6.541 80 H GLY 11 HN GLY 11 1.348 -11.188 -8.096 81 HA2 GLY 11 HA2 GLY 11 1.505 -10.864 -10.455 82 HA3 GLY 11 HA1 GLY 11 0.967 -12.519 -10.686 83 H LYS 12 HN LYS 12 -0.934 -11.094 -8.331 84 HA LYS 12 HA LYS 12 -3.027 -10.570 -10.323 85 HB2 LYS 12 HB2 LYS 12 -4.605 -10.830 -8.380 86 HB3 LYS 12 HB1 LYS 12 -3.717 -12.280 -8.820 87 HG2 LYS 12 HG2 LYS 12 -2.159 -11.876 -6.966 88 HG3 LYS 12 HG1 LYS 12 -3.089 -10.446 -6.515 89 HD2 LYS 12 HD2 LYS 12 -5.078 -11.881 -6.200 90 HD3 LYS 12 HD1 LYS 12 -4.083 -13.295 -6.559 91 HE2 LYS 12 HE2 LYS 12 -2.648 -12.742 -4.636 92 HE3 LYS 12 HE1 LYS 12 -3.693 -11.369 -4.268 93 HZ1 LYS 12 HZ1 LYS 12 -4.527 -14.222 -4.280 94 HZ2 LYS 12 HZ2 LYS 12 -5.528 -12.906 -3.926 95 HZ3 LYS 12 HZ3 LYS 12 -4.237 -13.284 -2.901 96 H THR 13 HN THR 13 -4.250 -8.721 -10.274 97 HA THR 13 HA THR 13 -3.141 -6.528 -8.657 98 HB THR 13 HB THR 13 -4.146 -5.051 -10.493 99 HG1 THR 13 HG1 THR 13 -3.840 -7.034 -12.355 100 HG21 THR 13 HG21 THR 13 -1.854 -6.894 -11.186 101 HG22 THR 13 HG22 THR 13 -1.737 -5.411 -10.241 102 HG23 THR 13 HG23 THR 13 -2.187 -5.336 -11.943 103 H LEU 14 HN LEU 14 -4.558 -4.968 -7.824 104 HA LEU 14 HA LEU 14 -7.414 -5.629 -7.844 105 HB2 LEU 14 HB2 LEU 14 -5.595 -5.518 -5.507 106 HB3 LEU 14 HB1 LEU 14 -7.189 -4.813 -5.307 107 HG LEU 14 HG LEU 14 -7.187 -7.491 -6.517 108 HD11 LEU 14 HD11 LEU 14 -6.770 -8.644 -4.411 109 HD12 LEU 14 HD12 LEU 14 -6.339 -7.111 -3.654 110 HD13 LEU 14 HD13 LEU 14 -5.345 -7.763 -4.955 111 HD21 LEU 14 HD21 LEU 14 -9.043 -7.801 -4.973 112 HD22 LEU 14 HD22 LEU 14 -9.224 -6.296 -5.877 113 HD23 LEU 14 HD23 LEU 14 -8.673 -6.258 -4.202 114 H THR 15 HN THR 15 -8.799 -3.843 -7.636 115 HA THR 15 HA THR 15 -7.455 -1.244 -7.912 116 HB THR 15 HB THR 15 -10.216 -1.085 -8.628 117 HG1 THR 15 HG1 THR 15 -10.407 -3.102 -9.331 118 HG21 THR 15 HG21 THR 15 -7.764 -1.011 -10.386 119 HG22 THR 15 HG22 THR 15 -8.316 0.341 -9.397 120 HG23 THR 15 HG23 THR 15 -9.330 -0.261 -10.710 121 H LEU 16 HN LEU 16 -7.627 0.173 -6.309 122 HA LEU 16 HA LEU 16 -9.970 -0.037 -4.522 123 HB2 LEU 16 HB2 LEU 16 -7.695 -0.810 -3.594 124 HB3 LEU 16 HB1 LEU 16 -7.272 0.892 -3.584 125 HG LEU 16 HG LEU 16 -9.500 1.132 -2.208 126 HD11 LEU 16 HD11 LEU 16 -9.860 -0.828 -0.748 127 HD12 LEU 16 HD12 LEU 16 -8.752 -1.752 -1.764 128 HD13 LEU 16 HD13 LEU 16 -10.262 -1.142 -2.439 129 HD21 LEU 16 HD21 LEU 16 -7.292 1.701 -1.378 130 HD22 LEU 16 HD22 LEU 16 -6.956 0.000 -1.053 131 HD23 LEU 16 HD23 LEU 16 -8.211 0.839 -0.144 132 H THR 17 HN THR 17 -10.692 1.934 -3.553 133 HA THR 17 HA THR 17 -10.313 4.214 -5.309 134 HB THR 17 HB THR 17 -12.057 4.395 -2.899 135 HG1 THR 17 HG1 THR 17 -12.228 2.280 -4.365 136 HG21 THR 17 HG21 THR 17 -12.379 5.231 -5.784 137 HG22 THR 17 HG22 THR 17 -11.887 6.275 -4.449 138 HG23 THR 17 HG23 THR 17 -13.512 5.588 -4.479 139 H VAL 18 HN VAL 18 -9.170 6.009 -4.830 140 HA VAL 18 HA VAL 18 -8.040 6.199 -2.110 141 HB VAL 18 HB VAL 18 -6.255 7.643 -3.356 142 HG11 VAL 18 HG11 VAL 18 -6.416 4.650 -3.312 143 HG12 VAL 18 HG12 VAL 18 -5.536 5.729 -2.229 144 HG13 VAL 18 HG13 VAL 18 -4.979 5.497 -3.886 145 HG21 VAL 18 HG21 VAL 18 -7.341 7.660 -5.525 146 HG22 VAL 18 HG22 VAL 18 -7.275 5.899 -5.596 147 HG23 VAL 18 HG23 VAL 18 -5.784 6.843 -5.630 148 H THR 19 HN THR 19 -7.879 8.204 -1.133 149 HA THR 19 HA THR 19 -9.070 10.500 -2.505 150 HB THR 19 HB THR 19 -10.284 11.060 -0.318 151 HG1 THR 19 HG1 THR 19 -9.244 8.619 0.307 152 HG21 THR 19 HG21 THR 19 -12.248 9.715 -0.914 153 HG22 THR 19 HG22 THR 19 -11.236 8.696 -1.939 154 HG23 THR 19 HG23 THR 19 -11.473 10.398 -2.343 155 HA PRO 20 HA PRO 20 -5.811 12.722 -0.512 156 HB2 PRO 20 HB2 PRO 20 -7.480 15.074 -0.117 157 HB3 PRO 20 HB1 PRO 20 -6.160 14.827 -1.266 158 HG2 PRO 20 HG2 PRO 20 -8.746 15.044 -2.039 159 HG3 PRO 20 HG1 PRO 20 -7.542 14.094 -2.927 160 HD2 PRO 20 HD2 PRO 20 -9.664 13.161 -1.047 161 HD3 PRO 20 HD1 PRO 20 -9.102 12.442 -2.570 162 H GLU 21 HN GLU 21 -8.674 12.007 1.133 163 HA GLU 21 HA GLU 21 -7.799 13.259 3.623 164 HB2 GLU 21 HB2 GLU 21 -10.254 13.146 2.603 165 HB3 GLU 21 HB1 GLU 21 -10.280 11.628 3.488 166 HG2 GLU 21 HG2 GLU 21 -9.737 12.802 5.547 167 HG3 GLU 21 HG1 GLU 21 -9.661 14.326 4.667 168 H PHE 22 HN PHE 22 -7.630 10.263 2.017 169 HA PHE 22 HA PHE 22 -7.551 8.645 4.403 170 HB2 PHE 22 HB2 PHE 22 -7.731 8.180 1.573 171 HB3 PHE 22 HB1 PHE 22 -6.404 7.256 2.234 172 HD1 PHE 22 HD2 PHE 22 -9.994 8.005 2.831 173 HD2 PHE 22 HD1 PHE 22 -6.812 5.206 3.203 174 HE1 PHE 22 HE2 PHE 22 -11.585 6.312 3.644 175 HE2 PHE 22 HE1 PHE 22 -8.395 3.508 4.015 176 HZ PHE 22 HZ PHE 22 -10.784 4.060 4.237 177 H THR 23 HN THR 23 -5.758 7.857 5.404 178 HA THR 23 HA THR 23 -3.225 9.126 4.700 179 HB THR 23 HB THR 23 -2.454 8.013 6.880 180 HG1 THR 23 HG1 THR 23 -3.927 7.033 8.097 181 HG21 THR 23 HG21 THR 23 -4.607 10.126 6.865 182 HG22 THR 23 HG22 THR 23 -2.859 10.366 6.837 183 HG23 THR 23 HG23 THR 23 -3.639 9.726 8.283 184 H VAL 24 HN VAL 24 -1.234 7.637 5.031 185 HA VAL 24 HA VAL 24 -1.439 5.501 3.171 186 HB VAL 24 HB VAL 24 0.822 6.039 5.107 187 HG11 VAL 24 HG11 VAL 24 2.208 4.782 3.647 188 HG12 VAL 24 HG12 VAL 24 0.947 4.692 2.416 189 HG13 VAL 24 HG13 VAL 24 0.765 3.809 3.932 190 HG21 VAL 24 HG21 VAL 24 0.448 7.068 2.296 191 HG22 VAL 24 HG22 VAL 24 1.840 7.359 3.340 192 HG23 VAL 24 HG23 VAL 24 0.263 8.023 3.768 193 H LYS 25 HN LYS 25 -1.491 5.714 6.658 194 HA LYS 25 HA LYS 25 -1.211 2.931 7.189 195 HB2 LYS 25 HB2 LYS 25 -0.943 5.051 8.732 196 HB3 LYS 25 HB1 LYS 25 -2.649 4.769 9.050 197 HG2 LYS 25 HG2 LYS 25 -2.145 2.512 9.812 198 HG3 LYS 25 HG1 LYS 25 -0.432 2.779 9.479 199 HD2 LYS 25 HD2 LYS 25 -0.393 4.592 11.116 200 HD3 LYS 25 HD1 LYS 25 -2.110 4.342 11.440 201 HE2 LYS 25 HE2 LYS 25 -1.628 2.069 12.210 202 HE3 LYS 25 HE1 LYS 25 0.089 2.327 11.892 203 HZ1 LYS 25 HZ1 LYS 25 0.088 4.098 13.535 204 HZ2 LYS 25 HZ2 LYS 25 -0.431 2.644 14.225 205 HZ3 LYS 25 HZ3 LYS 25 -1.556 3.847 13.842 206 H GLU 26 HN GLU 26 -3.945 5.097 6.700 207 HA GLU 26 HA GLU 26 -5.940 3.196 7.425 208 HB2 GLU 26 HB2 GLU 26 -5.938 5.883 7.064 209 HB3 GLU 26 HB1 GLU 26 -6.690 5.357 5.562 210 HG2 GLU 26 HG2 GLU 26 -8.484 4.348 6.688 211 HG3 GLU 26 HG1 GLU 26 -7.649 4.405 8.243 212 H LEU 27 HN LEU 27 -4.727 4.397 4.283 213 HA LEU 27 HA LEU 27 -6.341 2.773 2.682 214 HB2 LEU 27 HB2 LEU 27 -4.888 4.754 2.023 215 HB3 LEU 27 HB1 LEU 27 -3.547 3.630 1.996 216 HG LEU 27 HG LEU 27 -5.131 2.276 0.376 217 HD11 LEU 27 HD11 LEU 27 -7.055 3.717 0.615 218 HD12 LEU 27 HD12 LEU 27 -6.451 3.790 -1.039 219 HD13 LEU 27 HD13 LEU 27 -6.114 5.109 0.081 220 HD21 LEU 27 HD21 LEU 27 -3.606 4.740 -0.462 221 HD22 LEU 27 HD22 LEU 27 -4.096 3.425 -1.528 222 HD23 LEU 27 HD23 LEU 27 -2.937 3.125 -0.234 223 H ALA 28 HN ALA 28 -3.318 2.104 4.339 224 HA ALA 28 HA ALA 28 -2.749 -0.334 2.983 225 HB1 ALA 28 HB1 ALA 28 -1.108 -0.712 4.762 226 HB2 ALA 28 HB2 ALA 28 -1.769 0.659 5.652 227 HB3 ALA 28 HB3 ALA 28 -0.990 0.917 4.092 228 H GLU 29 HN GLU 29 -4.507 0.457 5.962 229 HA GLU 29 HA GLU 29 -4.795 -2.243 6.806 230 HB2 GLU 29 HB2 GLU 29 -6.119 -1.443 8.549 231 HB3 GLU 29 HB1 GLU 29 -5.043 -0.096 8.207 232 HG2 GLU 29 HG2 GLU 29 -6.857 0.907 6.825 233 HG3 GLU 29 HG1 GLU 29 -7.920 -0.382 7.386 234 H GLU 30 HN GLU 30 -6.503 -0.279 4.518 235 HA GLU 30 HA GLU 30 -8.951 -1.723 4.464 236 HB2 GLU 30 HB2 GLU 30 -7.877 0.535 3.184 237 HB3 GLU 30 HB1 GLU 30 -8.257 -0.595 1.897 238 HG2 GLU 30 HG2 GLU 30 -10.552 -0.806 3.020 239 HG3 GLU 30 HG1 GLU 30 -10.109 0.668 3.885 240 H ILE 31 HN ILE 31 -6.102 -1.802 2.342 241 HA ILE 31 HA ILE 31 -7.011 -4.021 0.811 242 HB ILE 31 HB ILE 31 -5.398 -2.363 -0.062 243 HG12 ILE 31 HG12 ILE 31 -3.702 -4.165 -0.925 244 HG13 ILE 31 HG11 ILE 31 -4.751 -5.290 -0.071 245 HG21 ILE 31 HG21 ILE 31 -4.058 -2.077 1.969 246 HG22 ILE 31 HG22 ILE 31 -3.052 -2.458 0.571 247 HG23 ILE 31 HG23 ILE 31 -3.412 -3.705 1.766 248 HD11 ILE 31 HD11 ILE 31 -6.583 -4.785 -1.446 249 HD12 ILE 31 HD12 ILE 31 -5.202 -4.956 -2.530 250 HD13 ILE 31 HD13 ILE 31 -5.796 -3.350 -2.104 251 H ALA 32 HN ALA 32 -5.047 -3.717 3.691 252 HA ALA 32 HA ALA 32 -3.971 -6.340 3.683 253 HB1 ALA 32 HB1 ALA 32 -4.382 -4.484 6.019 254 HB2 ALA 32 HB2 ALA 32 -2.974 -4.501 4.956 255 HB3 ALA 32 HB3 ALA 32 -3.325 -5.895 5.980 256 H ARG 33 HN ARG 33 -7.007 -5.017 4.734 257 HA ARG 33 HA ARG 33 -7.766 -7.087 6.505 258 HB2 ARG 33 HB2 ARG 33 -8.770 -4.677 5.997 259 HB3 ARG 33 HB1 ARG 33 -9.844 -5.620 4.971 260 HG2 ARG 33 HG2 ARG 33 -10.498 -6.979 6.886 261 HG3 ARG 33 HG1 ARG 33 -9.407 -6.052 7.918 262 HD2 ARG 33 HD2 ARG 33 -11.544 -5.139 8.276 263 HD3 ARG 33 HD1 ARG 33 -10.711 -3.998 7.223 264 HE ARG 33 HE ARG 33 -12.100 -5.727 5.569 265 HH11 ARG 33 HH12 ARG 33 -12.844 -3.411 8.068 266 HH12 ARG 33 HH11 ARG 33 -14.397 -3.010 7.416 267 HH21 ARG 33 HH21 ARG 33 -14.150 -5.204 4.703 268 HH22 ARG 33 HH22 ARG 33 -15.139 -4.028 5.502 269 H ARG 34 HN ARG 34 -8.028 -6.727 3.023 270 HA ARG 34 HA ARG 34 -9.890 -8.877 2.676 271 HB2 ARG 34 HB2 ARG 34 -8.266 -7.160 0.847 272 HB3 ARG 34 HB1 ARG 34 -8.995 -8.633 0.220 273 HG2 ARG 34 HG2 ARG 34 -10.677 -7.184 -0.242 274 HG3 ARG 34 HG1 ARG 34 -11.144 -7.623 1.404 275 HD2 ARG 34 HD2 ARG 34 -10.027 -5.644 2.267 276 HD3 ARG 34 HD1 ARG 34 -9.497 -5.217 0.642 277 HE ARG 34 HE ARG 34 -12.360 -5.466 0.968 278 HH11 ARG 34 HH12 ARG 34 -9.598 -3.336 1.050 279 HH12 ARG 34 HH11 ARG 34 -10.534 -1.899 0.800 280 HH21 ARG 34 HH22 ARG 34 -13.602 -3.566 0.660 281 HH22 ARG 34 HH21 ARG 34 -12.803 -2.031 0.580 282 H LEU 35 HN LEU 35 -6.392 -8.601 2.700 283 HA LEU 35 HA LEU 35 -6.129 -11.348 1.739 284 HB2 LEU 35 HB2 LEU 35 -4.184 -9.102 2.135 285 HB3 LEU 35 HB1 LEU 35 -3.629 -10.748 1.904 286 HG LEU 35 HG LEU 35 -5.252 -10.575 -0.220 287 HD11 LEU 35 HD11 LEU 35 -4.284 -7.753 0.230 288 HD12 LEU 35 HD12 LEU 35 -5.961 -8.296 0.240 289 HD13 LEU 35 HD13 LEU 35 -5.022 -8.362 -1.251 290 HD21 LEU 35 HD21 LEU 35 -2.928 -11.213 -0.324 291 HD22 LEU 35 HD22 LEU 35 -2.423 -9.547 -0.044 292 HD23 LEU 35 HD23 LEU 35 -3.250 -9.977 -1.541 293 H GLY 36 HN GLY 36 -6.111 -9.589 4.673 294 HA2 GLY 36 HA2 GLY 36 -6.095 -10.453 6.828 295 HA3 GLY 36 HA1 GLY 36 -5.652 -12.021 6.167 296 H LEU 37 HN LEU 37 -4.069 -8.829 5.991 297 HA LEU 37 HA LEU 37 -1.760 -9.989 7.393 298 HB2 LEU 37 HB2 LEU 37 -1.481 -8.093 5.077 299 HB3 LEU 37 HB1 LEU 37 -0.214 -8.978 5.898 300 HG LEU 37 HG LEU 37 -2.362 -10.512 4.499 301 HD11 LEU 37 HD11 LEU 37 0.010 -9.231 3.148 302 HD12 LEU 37 HD12 LEU 37 -1.692 -8.874 2.847 303 HD13 LEU 37 HD13 LEU 37 -1.037 -10.457 2.432 304 HD21 LEU 37 HD21 LEU 37 -0.742 -11.695 5.878 305 HD22 LEU 37 HD22 LEU 37 0.583 -10.976 4.960 306 HD23 LEU 37 HD23 LEU 37 -0.529 -12.098 4.174 307 H SER 38 HN SER 38 -0.119 -8.065 7.795 308 HA SER 38 HA SER 38 -1.688 -5.983 9.155 309 HB2 SER 38 HB2 SER 38 1.123 -6.940 9.752 310 HB3 SER 38 HB1 SER 38 0.222 -5.739 10.679 311 HG SER 38 HG SER 38 0.239 -8.266 11.138 312 HA PRO 39 HA PRO 39 -0.060 -2.908 6.427 313 HB2 PRO 39 HB2 PRO 39 -0.168 -0.979 8.632 314 HB3 PRO 39 HB1 PRO 39 -1.111 -1.029 7.140 315 HG2 PRO 39 HG2 PRO 39 -2.211 -1.563 9.534 316 HG3 PRO 39 HG1 PRO 39 -2.754 -2.344 8.037 317 HD2 PRO 39 HD2 PRO 39 -1.008 -3.420 10.202 318 HD3 PRO 39 HD1 PRO 39 -2.280 -4.226 9.264 319 H GLU 40 HN GLU 40 1.449 -3.505 9.512 320 HA GLU 40 HA GLU 40 3.696 -1.781 9.114 321 HB2 GLU 40 HB2 GLU 40 3.078 -3.996 11.051 322 HB3 GLU 40 HB1 GLU 40 4.640 -3.189 11.041 323 HG2 GLU 40 HG2 GLU 40 3.545 -1.050 11.465 324 HG3 GLU 40 HG1 GLU 40 1.975 -1.852 11.456 325 H ASP 41 HN ASP 41 2.858 -4.880 7.954 326 HA ASP 41 HA ASP 41 5.639 -5.654 7.470 327 HB2 ASP 41 HB2 ASP 41 3.024 -7.124 7.114 328 HB3 ASP 41 HB1 ASP 41 4.568 -7.768 6.565 329 H ILE 42 HN ILE 42 2.796 -4.523 5.782 330 HA ILE 42 HA ILE 42 4.006 -5.012 3.179 331 HB ILE 42 HB ILE 42 1.491 -3.450 3.388 332 HG12 ILE 42 HG12 ILE 42 1.468 -6.445 3.770 333 HG13 ILE 42 HG11 ILE 42 1.352 -5.321 5.114 334 HG21 ILE 42 HG21 ILE 42 2.455 -3.994 1.229 335 HG22 ILE 42 HG22 ILE 42 0.906 -4.811 1.436 336 HG23 ILE 42 HG23 ILE 42 2.412 -5.712 1.622 337 HD11 ILE 42 HD11 ILE 42 -0.589 -5.633 2.843 338 HD12 ILE 42 HD12 ILE 42 -0.674 -4.356 4.056 339 HD13 ILE 42 HD13 ILE 42 -0.842 -6.044 4.540 340 H LYS 43 HN LYS 43 5.230 -3.575 2.189 341 HA LYS 43 HA LYS 43 5.030 -0.759 3.017 342 HB2 LYS 43 HB2 LYS 43 7.247 -2.306 3.097 343 HB3 LYS 43 HB1 LYS 43 7.393 -1.641 1.474 344 HG2 LYS 43 HG2 LYS 43 7.355 0.600 2.326 345 HG3 LYS 43 HG1 LYS 43 7.023 0.017 3.957 346 HD2 LYS 43 HD2 LYS 43 9.206 -1.225 3.846 347 HD3 LYS 43 HD1 LYS 43 9.534 -0.366 2.340 348 HE2 LYS 43 HE2 LYS 43 9.343 1.770 3.519 349 HE3 LYS 43 HE1 LYS 43 9.013 0.909 5.022 350 HZ1 LYS 43 HZ1 LYS 43 11.519 0.697 3.439 351 HZ2 LYS 43 HZ2 LYS 43 11.203 -0.084 4.906 352 HZ3 LYS 43 HZ3 LYS 43 11.331 1.602 4.857 353 H LEU 44 HN LEU 44 4.413 0.708 1.579 354 HA LEU 44 HA LEU 44 3.893 -0.169 -1.153 355 HB2 LEU 44 HB2 LEU 44 3.094 2.337 0.327 356 HB3 LEU 44 HB1 LEU 44 2.658 1.986 -1.334 357 HG LEU 44 HG LEU 44 1.914 0.009 0.773 358 HD11 LEU 44 HD11 LEU 44 -0.171 1.222 1.204 359 HD12 LEU 44 HD12 LEU 44 0.429 2.581 0.252 360 HD13 LEU 44 HD13 LEU 44 1.241 2.128 1.751 361 HD21 LEU 44 HD21 LEU 44 1.530 -0.477 -1.599 362 HD22 LEU 44 HD22 LEU 44 0.548 0.981 -1.736 363 HD23 LEU 44 HD23 LEU 44 0.015 -0.348 -0.705 364 H THR 45 HN THR 45 5.069 0.469 -2.853 365 HA THR 45 HA THR 45 7.013 2.637 -2.424 366 HB THR 45 HB THR 45 7.604 0.481 -4.394 367 HG1 THR 45 HG1 THR 45 8.800 -0.277 -2.220 368 HG21 THR 45 HG21 THR 45 9.913 0.982 -3.723 369 HG22 THR 45 HG22 THR 45 9.309 2.133 -2.528 370 HG23 THR 45 HG23 THR 45 9.061 2.435 -4.248 371 H HIS 46 HN HIS 46 6.908 4.273 -3.779 372 HA HIS 46 HA HIS 46 5.686 3.884 -6.417 373 HB2 HIS 46 HB2 HIS 46 4.199 4.991 -4.544 374 HB3 HIS 46 HB1 HIS 46 5.163 6.417 -4.916 375 HD1 HIS 46 HD1 HIS 46 3.572 3.829 -7.215 376 HD2 HIS 46 HD2 HIS 46 3.627 7.927 -6.540 377 HE1 HIS 46 HE1 HIS 46 2.180 4.833 -9.054 378 HE2 HIS 46 HE2 HIS 46 2.225 7.313 -8.624 379 H ASN 47 HN ASN 47 7.097 4.415 -7.911 380 HA ASN 47 HA ASN 47 8.730 5.453 -9.094 381 HB2 ASN 47 HB2 ASN 47 8.075 7.698 -7.187 382 HB3 ASN 47 HB1 ASN 47 9.243 7.867 -8.496 383 HD21 ASN 47 HD21 ASN 47 5.971 7.854 -7.607 384 HD22 ASN 47 HD22 ASN 47 5.299 8.090 -9.176 385 H GLY 48 HN GLY 48 9.323 3.877 -6.630 386 HA2 GLY 48 HA2 GLY 48 11.445 3.102 -5.951 387 HA3 GLY 48 HA1 GLY 48 12.136 4.638 -6.455 388 H LYS 49 HN LYS 49 9.679 5.810 -4.872 389 HA LYS 49 HA LYS 49 11.148 5.902 -2.331 390 HB2 LYS 49 HB2 LYS 49 9.116 7.740 -3.584 391 HB3 LYS 49 HB1 LYS 49 9.586 7.881 -1.896 392 HG2 LYS 49 HG2 LYS 49 11.904 8.239 -2.564 393 HG3 LYS 49 HG1 LYS 49 11.443 8.088 -4.259 394 HD2 LYS 49 HD2 LYS 49 11.319 10.344 -4.128 395 HD3 LYS 49 HD1 LYS 49 9.716 9.998 -3.480 396 HE2 LYS 49 HE2 LYS 49 10.634 10.097 -1.203 397 HE3 LYS 49 HE1 LYS 49 12.222 10.476 -1.868 398 HZ1 LYS 49 HZ1 LYS 49 9.780 12.137 -2.178 399 HZ2 LYS 49 HZ2 LYS 49 11.304 12.501 -2.811 400 HZ3 LYS 49 HZ3 LYS 49 11.070 12.468 -1.137 401 H THR 50 HN THR 50 10.233 5.377 -0.405 402 HA THR 50 HA THR 50 7.817 3.761 -0.549 403 HB THR 50 HB THR 50 8.484 3.334 1.940 404 HG1 THR 50 HG1 THR 50 10.629 3.753 2.383 405 HG21 THR 50 HG21 THR 50 8.629 1.652 0.184 406 HG22 THR 50 HG22 THR 50 10.057 1.579 1.216 407 HG23 THR 50 HG23 THR 50 10.155 2.339 -0.372 408 H LEU 51 HN LEU 51 6.073 4.013 0.873 409 HA LEU 51 HA LEU 51 5.590 6.802 1.608 410 HB2 LEU 51 HB2 LEU 51 3.804 4.432 1.150 411 HB3 LEU 51 HB1 LEU 51 3.208 5.895 1.912 412 HG LEU 51 HG LEU 51 4.262 7.018 -0.257 413 HD11 LEU 51 HD11 LEU 51 5.149 4.934 -1.161 414 HD12 LEU 51 HD12 LEU 51 3.910 5.608 -2.218 415 HD13 LEU 51 HD13 LEU 51 3.528 4.240 -1.174 416 HD21 LEU 51 HD21 LEU 51 1.998 7.350 0.312 417 HD22 LEU 51 HD22 LEU 51 1.596 5.657 0.028 418 HD23 LEU 51 HD23 LEU 51 1.996 6.709 -1.331 419 H ASP 52 HN ASP 52 5.235 7.488 3.648 420 HA ASP 52 HA ASP 52 5.763 5.577 5.792 421 HB2 ASP 52 HB2 ASP 52 6.909 7.926 5.431 422 HB3 ASP 52 HB1 ASP 52 5.481 8.510 6.284 423 HA PRO 53 HA PRO 53 1.493 5.356 6.998 424 HB2 PRO 53 HB2 PRO 53 2.457 4.888 9.737 425 HB3 PRO 53 HB1 PRO 53 1.528 3.824 8.675 426 HG2 PRO 53 HG2 PRO 53 4.102 3.343 9.256 427 HG3 PRO 53 HG1 PRO 53 3.388 2.931 7.686 428 HD2 PRO 53 HD2 PRO 53 5.163 5.208 8.412 429 HD3 PRO 53 HD1 PRO 53 5.113 4.236 6.929 430 H SER 54 HN SER 54 3.757 7.473 8.619 431 HA SER 54 HA SER 54 1.751 8.772 10.232 432 HB2 SER 54 HB2 SER 54 4.623 9.505 9.648 433 HB3 SER 54 HB1 SER 54 3.592 10.340 10.810 434 HG SER 54 HG SER 54 3.826 7.569 11.025 435 H LEU 55 HN LEU 55 3.123 9.262 7.062 436 HA LEU 55 HA LEU 55 2.137 11.959 6.869 437 HB2 LEU 55 HB2 LEU 55 3.756 10.130 5.193 438 HB3 LEU 55 HB1 LEU 55 2.955 11.465 4.443 439 HG LEU 55 HG LEU 55 4.160 12.749 6.496 440 HD11 LEU 55 HD11 LEU 55 6.090 10.600 5.653 441 HD12 LEU 55 HD12 LEU 55 5.251 10.644 7.203 442 HD13 LEU 55 HD13 LEU 55 6.390 11.922 6.780 443 HD21 LEU 55 HD21 LEU 55 4.235 13.456 4.194 444 HD22 LEU 55 HD22 LEU 55 5.322 12.128 3.786 445 HD23 LEU 55 HD23 LEU 55 5.870 13.419 4.855 446 H THR 56 HN THR 56 1.261 12.220 4.419 447 HA THR 56 HA THR 56 -1.148 10.530 4.294 448 HB THR 56 HB THR 56 -2.323 12.458 3.286 449 HG1 THR 56 HG1 THR 56 -0.100 14.038 4.083 450 HG21 THR 56 HG21 THR 56 -1.081 12.850 6.002 451 HG22 THR 56 HG22 THR 56 -2.669 12.181 5.618 452 HG23 THR 56 HG23 THR 56 -2.351 13.897 5.368 453 H LEU 57 HN LEU 57 -2.162 10.485 2.090 454 HA LEU 57 HA LEU 57 -0.238 9.582 0.189 455 HB2 LEU 57 HB2 LEU 57 -3.221 9.965 0.029 456 HB3 LEU 57 HB1 LEU 57 -2.264 9.257 -1.259 457 HG LEU 57 HG LEU 57 -2.146 8.071 1.489 458 HD11 LEU 57 HD11 LEU 57 -4.007 6.593 0.920 459 HD12 LEU 57 HD12 LEU 57 -4.292 7.517 -0.555 460 HD13 LEU 57 HD13 LEU 57 -4.523 8.276 1.019 461 HD21 LEU 57 HD21 LEU 57 -0.585 7.336 -0.275 462 HD22 LEU 57 HD22 LEU 57 -1.964 6.859 -1.266 463 HD23 LEU 57 HD23 LEU 57 -1.655 6.045 0.269 464 H ALA 58 HN ALA 58 -2.069 12.525 0.624 465 HA ALA 58 HA ALA 58 -1.481 13.526 -2.022 466 HB1 ALA 58 HB1 ALA 58 -2.683 15.521 -1.320 467 HB2 ALA 58 HB2 ALA 58 -2.719 14.927 0.340 468 HB3 ALA 58 HB3 ALA 58 -3.598 14.067 -0.921 469 H GLU 59 HN GLU 59 0.289 13.314 0.809 470 HA GLU 59 HA GLU 59 1.652 15.856 0.596 471 HB2 GLU 59 HB2 GLU 59 1.365 13.840 2.573 472 HB3 GLU 59 HB1 GLU 59 3.080 13.982 2.214 473 HG2 GLU 59 HG2 GLU 59 2.968 16.386 2.658 474 HG3 GLU 59 HG1 GLU 59 1.254 16.227 3.031 475 H TYR 60 HN TYR 60 1.972 12.674 -0.652 476 HA TYR 60 HA TYR 60 4.770 12.986 -1.329 477 HB2 TYR 60 HB2 TYR 60 2.788 10.774 -1.342 478 HB3 TYR 60 HB1 TYR 60 4.120 10.673 -2.481 479 HD1 TYR 60 HD2 TYR 60 6.436 10.470 -1.674 480 HD2 TYR 60 HD1 TYR 60 3.150 10.558 1.030 481 HE1 TYR 60 HE2 TYR 60 7.896 9.642 0.123 482 HE2 TYR 60 HE1 TYR 60 4.601 9.730 2.832 483 HH TYR 60 HH TYR 60 6.811 8.351 2.932 484 H GLY 61 HN GLY 61 1.695 13.529 -2.768 485 HA2 GLY 61 HA2 GLY 61 1.274 14.627 -4.782 486 HA3 GLY 61 HA1 GLY 61 2.971 14.450 -5.201 487 H ILE 62 HN ILE 62 0.525 12.009 -4.365 488 HA ILE 62 HA ILE 62 1.247 10.561 -6.801 489 HB ILE 62 HB ILE 62 -0.545 9.556 -4.603 490 HG12 ILE 62 HG12 ILE 62 2.281 8.680 -4.681 491 HG13 ILE 62 HG11 ILE 62 2.001 10.324 -4.114 492 HG21 ILE 62 HG21 ILE 62 1.132 8.123 -6.659 493 HG22 ILE 62 HG22 ILE 62 -0.619 8.324 -6.710 494 HG23 ILE 62 HG23 ILE 62 0.122 7.358 -5.433 495 HD11 ILE 62 HD11 ILE 62 0.477 9.480 -2.416 496 HD12 ILE 62 HD12 ILE 62 2.075 8.747 -2.269 497 HD13 ILE 62 HD13 ILE 62 0.747 7.834 -2.987 498 H THR 63 HN THR 63 -0.191 9.989 -8.367 499 HA THR 63 HA THR 63 -2.898 11.127 -8.173 500 HB THR 63 HB THR 63 -2.747 11.350 -10.720 501 HG1 THR 63 HG1 THR 63 -0.128 11.820 -10.808 502 HG21 THR 63 HG21 THR 63 -2.735 13.275 -9.212 503 HG22 THR 63 HG22 THR 63 -1.643 13.540 -10.571 504 HG23 THR 63 HG23 THR 63 -0.995 13.102 -8.991 505 HA PRO 64 HA PRO 64 -4.419 7.084 -9.090 506 HB2 PRO 64 HB2 PRO 64 -6.774 7.705 -10.294 507 HB3 PRO 64 HB1 PRO 64 -6.507 7.884 -8.554 508 HG2 PRO 64 HG2 PRO 64 -6.408 9.971 -10.690 509 HG3 PRO 64 HG1 PRO 64 -7.130 10.057 -9.072 510 HD2 PRO 64 HD2 PRO 64 -4.724 11.139 -9.625 511 HD3 PRO 64 HD1 PRO 64 -5.114 10.443 -8.039 512 H GLY 65 HN GLY 65 -4.598 5.579 -10.752 513 HA2 GLY 65 HA2 GLY 65 -4.910 5.035 -13.086 514 HA3 GLY 65 HA1 GLY 65 -4.223 6.600 -13.492 515 H SER 66 HN SER 66 -2.419 5.398 -11.011 516 HA SER 66 HA SER 66 -0.424 4.309 -12.881 517 HB2 SER 66 HB2 SER 66 -0.025 5.571 -10.155 518 HB3 SER 66 HB1 SER 66 1.263 4.940 -11.181 519 HG SER 66 HG SER 66 -0.066 6.560 -12.710 520 H THR 67 HN THR 67 0.959 2.587 -12.082 521 HA THR 67 HA THR 67 -0.593 0.599 -10.638 522 HB THR 67 HB THR 67 1.430 -0.876 -11.247 523 HG1 THR 67 HG1 THR 67 2.354 1.492 -12.025 524 HG21 THR 67 HG21 THR 67 0.640 -1.170 -13.546 525 HG22 THR 67 HG22 THR 67 -0.192 0.381 -13.465 526 HG23 THR 67 HG23 THR 67 -0.716 -0.953 -12.439 527 H ILE 68 HN ILE 68 -0.271 0.074 -8.563 528 HA ILE 68 HA ILE 68 2.074 1.240 -7.217 529 HB ILE 68 HB ILE 68 -0.307 0.105 -5.781 530 HG12 ILE 68 HG12 ILE 68 -1.166 1.791 -7.352 531 HG13 ILE 68 HG11 ILE 68 -1.285 2.354 -5.690 532 HG21 ILE 68 HG21 ILE 68 0.413 1.667 -4.021 533 HG22 ILE 68 HG22 ILE 68 1.775 2.148 -5.033 534 HG23 ILE 68 HG23 ILE 68 1.657 0.492 -4.439 535 HD11 ILE 68 HD11 ILE 68 0.761 3.691 -6.042 536 HD12 ILE 68 HD12 ILE 68 -0.569 4.151 -7.107 537 HD13 ILE 68 HD13 ILE 68 0.765 3.179 -7.731 538 H THR 69 HN THR 69 3.678 -0.053 -6.661 539 HA THR 69 HA THR 69 3.245 -2.940 -6.585 540 HB THR 69 HB THR 69 5.881 -2.785 -6.454 541 HG1 THR 69 HG1 THR 69 5.870 -0.470 -6.316 542 HG21 THR 69 HG21 THR 69 4.634 -3.829 -8.276 543 HG22 THR 69 HG22 THR 69 5.959 -2.855 -8.914 544 HG23 THR 69 HG23 THR 69 4.306 -2.243 -8.973 545 H LEU 70 HN LEU 70 3.532 -4.113 -4.758 546 HA LEU 70 HA LEU 70 4.341 -2.632 -2.342 547 HB2 LEU 70 HB2 LEU 70 2.904 -4.101 -1.054 548 HB3 LEU 70 HB1 LEU 70 1.996 -3.289 -2.314 549 HG LEU 70 HG LEU 70 2.747 -5.670 -3.500 550 HD11 LEU 70 HD11 LEU 70 1.962 -7.382 -1.906 551 HD12 LEU 70 HD12 LEU 70 1.943 -6.157 -0.637 552 HD13 LEU 70 HD13 LEU 70 3.466 -6.611 -1.403 553 HD21 LEU 70 HD21 LEU 70 0.182 -4.931 -2.101 554 HD22 LEU 70 HD22 LEU 70 0.365 -6.215 -3.295 555 HD23 LEU 70 HD23 LEU 70 0.621 -4.533 -3.762 556 H GLU 71 HN GLU 71 5.320 -3.924 -0.623 557 HA GLU 71 HA GLU 71 6.700 -6.349 -1.488 558 HB2 GLU 71 HB2 GLU 71 8.006 -3.969 -1.661 559 HB3 GLU 71 HB1 GLU 71 8.416 -4.447 -0.018 560 HG2 GLU 71 HG2 GLU 71 8.748 -6.394 -2.253 561 HG3 GLU 71 HG1 GLU 71 9.949 -5.130 -2.000 562 H ILE 72 HN ILE 72 6.883 -7.833 0.104 563 HA ILE 72 HA ILE 72 6.208 -6.976 2.847 564 HB ILE 72 HB ILE 72 5.664 -9.767 1.899 565 HG12 ILE 72 HG12 ILE 72 3.201 -8.532 1.809 566 HG13 ILE 72 HG11 ILE 72 4.258 -7.343 1.052 567 HG21 ILE 72 HG21 ILE 72 4.404 -8.018 4.004 568 HG22 ILE 72 HG22 ILE 72 5.579 -9.305 4.284 569 HG23 ILE 72 HG23 ILE 72 3.975 -9.695 3.664 570 HD11 ILE 72 HD11 ILE 72 4.146 -10.227 0.221 571 HD12 ILE 72 HD12 ILE 72 4.929 -8.890 -0.618 572 HD13 ILE 72 HD13 ILE 72 3.170 -8.955 -0.511 573 H LYS 73 HN LYS 73 7.420 -7.761 4.513 574 HA LYS 73 HA LYS 73 9.864 -9.186 3.746 575 HB2 LYS 73 HB2 LYS 73 9.176 -7.403 6.068 576 HB3 LYS 73 HB1 LYS 73 10.602 -8.428 6.088 577 HG2 LYS 73 HG2 LYS 73 11.433 -7.327 4.077 578 HG3 LYS 73 HG1 LYS 73 9.997 -6.302 4.047 579 HD2 LYS 73 HD2 LYS 73 10.619 -5.373 6.226 580 HD3 LYS 73 HD1 LYS 73 12.056 -6.398 6.251 581 HE2 LYS 73 HE2 LYS 73 12.859 -5.296 4.206 582 HE3 LYS 73 HE1 LYS 73 11.436 -4.255 4.220 583 HZ1 LYS 73 HZ1 LYS 73 12.155 -3.362 6.345 584 HZ2 LYS 73 HZ2 LYS 73 13.357 -3.147 5.172 585 HZ3 LYS 73 HZ3 LYS 73 13.519 -4.365 6.335 586 H LYS 74 HN LYS 74 10.321 -11.167 4.483 587 HA LYS 74 HA LYS 74 8.481 -12.346 6.459 588 HB2 LYS 74 HB2 LYS 74 9.760 -13.547 4.013 589 HB3 LYS 74 HB1 LYS 74 9.143 -14.551 5.316 590 HG2 LYS 74 HG2 LYS 74 6.920 -13.574 5.013 591 HG3 LYS 74 HG1 LYS 74 7.542 -12.585 3.690 592 HD2 LYS 74 HD2 LYS 74 8.132 -14.625 2.457 593 HD3 LYS 74 HD1 LYS 74 7.489 -15.602 3.778 594 HE2 LYS 74 HE2 LYS 74 5.275 -14.617 3.426 595 HE3 LYS 74 HE1 LYS 74 5.920 -13.647 2.101 596 HZ1 LYS 74 HZ1 LYS 74 5.829 -16.616 2.186 597 HZ2 LYS 74 HZ2 LYS 74 6.442 -15.685 0.912 598 HZ3 LYS 74 HZ3 LYS 74 4.794 -15.621 1.287 599 H LYS 75 HN LYS 75 9.347 -13.788 7.992 600 HA LYS 75 HA LYS 75 12.263 -13.559 8.334 601 HB2 LYS 75 HB2 LYS 75 10.040 -13.658 10.362 602 HB3 LYS 75 HB1 LYS 75 11.708 -14.001 10.797 603 HG2 LYS 75 HG2 LYS 75 12.369 -11.775 10.046 604 HG3 LYS 75 HG1 LYS 75 10.697 -11.429 9.599 605 HD2 LYS 75 HD2 LYS 75 10.016 -11.741 11.937 606 HD3 LYS 75 HD1 LYS 75 11.695 -12.067 12.376 607 HE2 LYS 75 HE2 LYS 75 12.321 -9.819 11.636 608 HE3 LYS 75 HE1 LYS 75 10.646 -9.497 11.194 609 HZ1 LYS 75 HZ1 LYS 75 10.017 -9.779 13.509 610 HZ2 LYS 75 HZ2 LYS 75 11.188 -8.566 13.356 611 HZ3 LYS 75 HZ3 LYS 75 11.624 -10.095 13.934 612 H GLY 76 HN GLY 76 13.436 -15.364 8.997 613 HA2 GLY 76 HA2 GLY 76 12.827 -17.765 9.939 614 HA3 GLY 76 HA1 GLY 76 12.184 -17.907 8.310 615 H GLY 77 HN GLY 77 14.614 -18.970 9.990 616 HA2 GLY 77 HA2 GLY 77 16.440 -18.893 7.695 617 HA3 GLY 77 HA1 GLY 77 17.063 -18.431 9.269 618 H LEU 78 HN LEU 78 17.968 -19.969 10.443 619 HA LEU 78 HA LEU 78 17.586 -22.753 9.624 620 HB2 LEU 78 HB2 LEU 78 19.719 -21.386 11.254 621 HB3 LEU 78 HB1 LEU 78 19.620 -23.129 11.083 622 HG LEU 78 HG LEU 78 19.563 -22.214 8.464 623 HD11 LEU 78 HD11 LEU 78 21.590 -20.636 10.044 624 HD12 LEU 78 HD12 LEU 78 20.185 -19.974 9.206 625 HD13 LEU 78 HD13 LEU 78 21.488 -20.723 8.285 626 HD21 LEU 78 HD21 LEU 78 21.903 -23.168 10.108 627 HD22 LEU 78 HD22 LEU 78 21.814 -23.167 8.348 628 HD23 LEU 78 HD23 LEU 78 20.723 -24.190 9.285 629 H GLU 79 HN GLU 79 17.545 -20.683 12.494 630 HA GLU 79 HA GLU 79 16.365 -22.871 14.054 631 HB2 GLU 79 HB2 GLU 79 18.368 -21.291 14.790 632 HB3 GLU 79 HB1 GLU 79 17.049 -20.230 15.268 633 HG2 GLU 79 HG2 GLU 79 16.150 -21.980 16.704 634 HG3 GLU 79 HG1 GLU 79 17.453 -23.061 16.213 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -9.511 7.071 -12.216 2 H2 MET 1 HT2 MET 1 -8.049 7.698 -11.644 3 H3 MET 1 HT3 MET 1 -8.546 8.026 -13.227 4 HA MET 1 HA MET 1 -8.895 9.941 -11.838 5 HB2 MET 1 HB2 MET 1 -11.336 8.471 -12.809 6 HB3 MET 1 HB1 MET 1 -11.433 10.100 -12.155 7 HG2 MET 1 HG2 MET 1 -9.875 10.877 -13.871 8 HG3 MET 1 HG1 MET 1 -9.798 9.245 -14.532 9 HE1 MET 1 HE1 MET 1 -10.450 10.157 -16.950 10 HE2 MET 1 HE2 MET 1 -10.492 11.794 -16.292 11 HE3 MET 1 HE3 MET 1 -11.845 11.192 -17.251 12 H ASP 2 HN ASP 2 -10.514 7.041 -10.649 13 HA ASP 2 HA ASP 2 -10.546 8.232 -7.967 14 HB2 ASP 2 HB2 ASP 2 -12.871 6.925 -9.376 15 HB3 ASP 2 HB1 ASP 2 -12.796 7.061 -7.624 16 H THR 3 HN THR 3 -10.098 5.540 -10.031 17 HA THR 3 HA THR 3 -9.790 3.726 -7.738 18 HB THR 3 HB THR 3 -9.793 1.924 -9.559 19 HG1 THR 3 HG1 THR 3 -11.310 3.423 -11.238 20 HG21 THR 3 HG21 THR 3 -11.693 2.307 -8.064 21 HG22 THR 3 HG22 THR 3 -12.243 1.902 -9.691 22 HG23 THR 3 HG23 THR 3 -12.288 3.574 -9.135 23 H ILE 4 HN ILE 4 -7.985 2.331 -7.650 24 HA ILE 4 HA ILE 4 -5.686 3.100 -9.320 25 HB ILE 4 HB ILE 4 -4.255 2.680 -7.244 26 HG12 ILE 4 HG12 ILE 4 -6.507 3.597 -5.560 27 HG13 ILE 4 HG11 ILE 4 -6.584 1.915 -6.078 28 HG21 ILE 4 HG21 ILE 4 -6.033 5.104 -7.410 29 HG22 ILE 4 HG22 ILE 4 -4.467 4.874 -8.190 30 HG23 ILE 4 HG23 ILE 4 -4.567 4.999 -6.435 31 HD11 ILE 4 HD11 ILE 4 -4.387 1.515 -5.111 32 HD12 ILE 4 HD12 ILE 4 -5.514 2.137 -3.907 33 HD13 ILE 4 HD13 ILE 4 -4.295 3.202 -4.607 34 H ASN 5 HN ASN 5 -3.950 1.464 -9.310 35 HA ASN 5 HA ASN 5 -5.057 -1.242 -8.974 36 HB2 ASN 5 HB2 ASN 5 -4.584 -1.528 -11.149 37 HB3 ASN 5 HB1 ASN 5 -3.797 0.033 -11.237 38 HD21 ASN 5 HD21 ASN 5 -1.669 0.120 -11.412 39 HD22 ASN 5 HD22 ASN 5 -0.628 -1.257 -11.387 40 H ILE 6 HN ILE 6 -4.046 -2.577 -7.641 41 HA ILE 6 HA ILE 6 -1.347 -1.843 -6.710 42 HB ILE 6 HB ILE 6 -3.258 -3.408 -4.997 43 HG12 ILE 6 HG12 ILE 6 -3.312 -0.881 -3.923 44 HG13 ILE 6 HG11 ILE 6 -3.380 -0.544 -5.649 45 HG21 ILE 6 HG21 ILE 6 -0.724 -3.157 -4.600 46 HG22 ILE 6 HG22 ILE 6 -1.821 -2.886 -3.245 47 HG23 ILE 6 HG23 ILE 6 -1.122 -1.512 -4.102 48 HD11 ILE 6 HD11 ILE 6 -5.356 -1.912 -5.869 49 HD12 ILE 6 HD12 ILE 6 -5.598 -0.700 -4.610 50 HD13 ILE 6 HD13 ILE 6 -5.257 -2.375 -4.171 51 H THR 7 HN THR 7 0.082 -3.226 -7.481 52 HA THR 7 HA THR 7 -0.740 -5.894 -8.285 53 HB THR 7 HB THR 7 2.100 -5.038 -8.507 54 HG1 THR 7 HG1 THR 7 0.254 -4.152 -10.446 55 HG21 THR 7 HG21 THR 7 1.898 -6.188 -10.665 56 HG22 THR 7 HG22 THR 7 0.180 -6.444 -10.363 57 HG23 THR 7 HG23 THR 7 1.383 -7.219 -9.332 58 H LEU 8 HN LEU 8 -0.211 -7.748 -7.324 59 HA LEU 8 HA LEU 8 1.239 -7.618 -4.788 60 HB2 LEU 8 HB2 LEU 8 -1.101 -8.896 -5.701 61 HB3 LEU 8 HB1 LEU 8 0.071 -10.155 -5.458 62 HG LEU 8 HG LEU 8 0.334 -8.733 -3.142 63 HD11 LEU 8 HD11 LEU 8 -1.667 -7.378 -3.967 64 HD12 LEU 8 HD12 LEU 8 -1.749 -8.039 -2.333 65 HD13 LEU 8 HD13 LEU 8 -2.623 -8.825 -3.648 66 HD21 LEU 8 HD21 LEU 8 -1.566 -11.010 -3.694 67 HD22 LEU 8 HD22 LEU 8 -0.926 -10.551 -2.115 68 HD23 LEU 8 HD23 LEU 8 0.161 -11.157 -3.364 69 HA PRO 9 HA PRO 9 4.634 -9.972 -6.468 70 HB2 PRO 9 HB2 PRO 9 4.729 -11.734 -4.132 71 HB3 PRO 9 HB1 PRO 9 5.882 -10.492 -4.640 72 HG2 PRO 9 HG2 PRO 9 4.336 -10.195 -2.457 73 HG3 PRO 9 HG1 PRO 9 4.846 -8.829 -3.465 74 HD2 PRO 9 HD2 PRO 9 2.215 -10.241 -3.397 75 HD3 PRO 9 HD1 PRO 9 2.565 -8.507 -3.544 76 H ASP 10 HN ASP 10 1.631 -11.323 -5.903 77 HA ASP 10 HA ASP 10 2.371 -14.037 -6.674 78 HB2 ASP 10 HB2 ASP 10 -0.204 -12.742 -5.809 79 HB3 ASP 10 HB1 ASP 10 -0.184 -14.356 -6.510 80 H GLY 11 HN GLY 11 1.430 -11.120 -8.133 81 HA2 GLY 11 HA2 GLY 11 1.573 -10.859 -10.502 82 HA3 GLY 11 HA1 GLY 11 1.074 -12.532 -10.683 83 H LYS 12 HN LYS 12 -0.854 -11.088 -8.366 84 HA LYS 12 HA LYS 12 -2.937 -10.598 -10.384 85 HB2 LYS 12 HB2 LYS 12 -4.544 -10.977 -8.483 86 HB3 LYS 12 HB1 LYS 12 -3.609 -12.385 -8.966 87 HG2 LYS 12 HG2 LYS 12 -2.094 -12.015 -7.072 88 HG3 LYS 12 HG1 LYS 12 -3.071 -10.628 -6.578 89 HD2 LYS 12 HD2 LYS 12 -5.023 -12.126 -6.352 90 HD3 LYS 12 HD1 LYS 12 -3.989 -13.498 -6.756 91 HE2 LYS 12 HE2 LYS 12 -2.594 -12.995 -4.791 92 HE3 LYS 12 HE1 LYS 12 -3.676 -11.664 -4.380 93 HZ1 LYS 12 HZ1 LYS 12 -4.190 -13.648 -3.103 94 HZ2 LYS 12 HZ2 LYS 12 -4.440 -14.531 -4.524 95 HZ3 LYS 12 HZ3 LYS 12 -5.477 -13.255 -4.129 96 H THR 13 HN THR 13 -4.302 -8.815 -10.190 97 HA THR 13 HA THR 13 -3.196 -6.627 -8.559 98 HB THR 13 HB THR 13 -4.323 -5.135 -10.292 99 HG1 THR 13 HG1 THR 13 -5.194 -6.060 -12.015 100 HG21 THR 13 HG21 THR 13 -2.474 -5.410 -11.908 101 HG22 THR 13 HG22 THR 13 -2.066 -6.950 -11.152 102 HG23 THR 13 HG23 THR 13 -1.912 -5.451 -10.238 103 H LEU 14 HN LEU 14 -4.674 -5.075 -7.699 104 HA LEU 14 HA LEU 14 -7.449 -6.007 -7.460 105 HB2 LEU 14 HB2 LEU 14 -5.496 -5.399 -5.300 106 HB3 LEU 14 HB1 LEU 14 -7.182 -4.983 -5.040 107 HG LEU 14 HG LEU 14 -6.795 -7.709 -6.034 108 HD11 LEU 14 HD11 LEU 14 -5.933 -8.607 -3.953 109 HD12 LEU 14 HD12 LEU 14 -5.744 -6.977 -3.309 110 HD13 LEU 14 HD13 LEU 14 -4.771 -7.501 -4.682 111 HD21 LEU 14 HD21 LEU 14 -8.382 -8.202 -4.246 112 HD22 LEU 14 HD22 LEU 14 -8.932 -6.844 -5.227 113 HD23 LEU 14 HD23 LEU 14 -8.221 -6.552 -3.640 114 H THR 15 HN THR 15 -9.006 -4.374 -7.108 115 HA THR 15 HA THR 15 -8.063 -1.683 -7.833 116 HB THR 15 HB THR 15 -10.947 -2.425 -8.024 117 HG1 THR 15 HG1 THR 15 -9.005 -3.808 -9.248 118 HG21 THR 15 HG21 THR 15 -9.089 -0.730 -9.696 119 HG22 THR 15 HG22 THR 15 -10.267 -0.146 -8.520 120 HG23 THR 15 HG23 THR 15 -10.813 -0.944 -9.995 121 H LEU 16 HN LEU 16 -8.230 -0.093 -6.398 122 HA LEU 16 HA LEU 16 -10.222 -0.303 -4.250 123 HB2 LEU 16 HB2 LEU 16 -7.819 -0.978 -3.582 124 HB3 LEU 16 HB1 LEU 16 -7.452 0.731 -3.717 125 HG LEU 16 HG LEU 16 -9.476 1.005 -2.069 126 HD11 LEU 16 HD11 LEU 16 -10.193 -1.313 -2.117 127 HD12 LEU 16 HD12 LEU 16 -9.649 -0.871 -0.498 128 HD13 LEU 16 HD13 LEU 16 -8.609 -1.836 -1.548 129 HD21 LEU 16 HD21 LEU 16 -7.179 1.631 -1.571 130 HD22 LEU 16 HD22 LEU 16 -6.785 -0.049 -1.203 131 HD23 LEU 16 HD23 LEU 16 -7.921 0.833 -0.183 132 H THR 17 HN THR 17 -10.672 1.783 -3.202 133 HA THR 17 HA THR 17 -10.515 3.954 -5.160 134 HB THR 17 HB THR 17 -12.173 4.198 -2.692 135 HG1 THR 17 HG1 THR 17 -13.691 3.063 -4.540 136 HG21 THR 17 HG21 THR 17 -13.690 5.337 -4.252 137 HG22 THR 17 HG22 THR 17 -12.605 4.944 -5.587 138 HG23 THR 17 HG23 THR 17 -12.070 6.031 -4.305 139 H VAL 18 HN VAL 18 -9.512 5.877 -4.733 140 HA VAL 18 HA VAL 18 -8.184 6.104 -2.105 141 HB VAL 18 HB VAL 18 -6.551 7.626 -3.448 142 HG11 VAL 18 HG11 VAL 18 -5.262 5.516 -4.148 143 HG12 VAL 18 HG12 VAL 18 -6.612 4.633 -3.432 144 HG13 VAL 18 HG13 VAL 18 -5.652 5.732 -2.441 145 HG21 VAL 18 HG21 VAL 18 -6.227 6.908 -5.769 146 HG22 VAL 18 HG22 VAL 18 -7.815 7.636 -5.526 147 HG23 VAL 18 HG23 VAL 18 -7.657 5.884 -5.647 148 H THR 19 HN THR 19 -8.072 8.095 -1.116 149 HA THR 19 HA THR 19 -9.455 10.348 -2.379 150 HB THR 19 HB THR 19 -10.525 10.840 -0.106 151 HG1 THR 19 HG1 THR 19 -10.918 8.479 0.814 152 HG21 THR 19 HG21 THR 19 -11.836 10.107 -2.033 153 HG22 THR 19 HG22 THR 19 -12.459 9.387 -0.548 154 HG23 THR 19 HG23 THR 19 -11.476 8.424 -1.651 155 HA PRO 20 HA PRO 20 -6.154 12.690 -0.610 156 HB2 PRO 20 HB2 PRO 20 -7.873 14.985 -0.114 157 HB3 PRO 20 HB1 PRO 20 -6.638 14.772 -1.362 158 HG2 PRO 20 HG2 PRO 20 -9.286 14.890 -1.923 159 HG3 PRO 20 HG1 PRO 20 -8.120 13.985 -2.905 160 HD2 PRO 20 HD2 PRO 20 -10.049 12.977 -0.864 161 HD3 PRO 20 HD1 PRO 20 -9.581 12.273 -2.425 162 H GLU 21 HN GLU 21 -8.868 11.871 1.226 163 HA GLU 21 HA GLU 21 -7.841 13.158 3.645 164 HB2 GLU 21 HB2 GLU 21 -10.359 13.073 2.799 165 HB3 GLU 21 HB1 GLU 21 -10.343 11.548 3.675 166 HG2 GLU 21 HG2 GLU 21 -9.649 12.707 5.700 167 HG3 GLU 21 HG1 GLU 21 -9.628 14.237 4.822 168 H PHE 22 HN PHE 22 -7.681 10.201 2.033 169 HA PHE 22 HA PHE 22 -7.525 8.548 4.393 170 HB2 PHE 22 HB2 PHE 22 -7.749 8.123 1.561 171 HB3 PHE 22 HB1 PHE 22 -6.383 7.224 2.173 172 HD1 PHE 22 HD2 PHE 22 -9.983 7.855 2.827 173 HD2 PHE 22 HD1 PHE 22 -6.717 5.150 3.140 174 HE1 PHE 22 HE2 PHE 22 -11.516 6.104 3.628 175 HE2 PHE 22 HE1 PHE 22 -8.241 3.393 3.937 176 HZ PHE 22 HZ PHE 22 -10.645 3.869 4.183 177 H THR 23 HN THR 23 -5.689 7.786 5.348 178 HA THR 23 HA THR 23 -3.202 9.124 4.598 179 HB THR 23 HB THR 23 -2.354 8.046 6.757 180 HG1 THR 23 HG1 THR 23 -4.583 7.796 8.060 181 HG21 THR 23 HG21 THR 23 -4.596 10.063 6.806 182 HG22 THR 23 HG22 THR 23 -2.865 10.385 6.715 183 HG23 THR 23 HG23 THR 23 -3.560 9.712 8.190 184 H VAL 24 HN VAL 24 -1.171 7.661 4.919 185 HA VAL 24 HA VAL 24 -1.357 5.545 3.033 186 HB VAL 24 HB VAL 24 0.914 6.072 4.961 187 HG11 VAL 24 HG11 VAL 24 2.303 4.944 3.335 188 HG12 VAL 24 HG12 VAL 24 0.922 4.731 2.256 189 HG13 VAL 24 HG13 VAL 24 0.970 3.889 3.804 190 HG21 VAL 24 HG21 VAL 24 1.902 7.418 3.159 191 HG22 VAL 24 HG22 VAL 24 0.379 8.098 3.731 192 HG23 VAL 24 HG23 VAL 24 0.430 7.209 2.209 193 H LYS 25 HN LYS 25 -1.375 5.720 6.520 194 HA LYS 25 HA LYS 25 -1.059 2.934 7.019 195 HB2 LYS 25 HB2 LYS 25 -0.793 5.029 8.590 196 HB3 LYS 25 HB1 LYS 25 -2.501 4.750 8.902 197 HG2 LYS 25 HG2 LYS 25 -2.026 2.510 9.679 198 HG3 LYS 25 HG1 LYS 25 -0.317 2.715 9.291 199 HD2 LYS 25 HD2 LYS 25 -0.167 4.537 10.918 200 HD3 LYS 25 HD1 LYS 25 -1.878 4.333 11.306 201 HE2 LYS 25 HE2 LYS 25 -1.424 2.046 12.060 202 HE3 LYS 25 HE1 LYS 25 0.285 2.264 11.683 203 HZ1 LYS 25 HZ1 LYS 25 -1.259 3.818 13.690 204 HZ2 LYS 25 HZ2 LYS 25 0.377 4.038 13.324 205 HZ3 LYS 25 HZ3 LYS 25 -0.143 2.592 14.032 206 H GLU 26 HN GLU 26 -3.821 5.080 6.609 207 HA GLU 26 HA GLU 26 -5.793 3.147 7.313 208 HB2 GLU 26 HB2 GLU 26 -5.802 5.845 6.961 209 HB3 GLU 26 HB1 GLU 26 -6.580 5.313 5.474 210 HG2 GLU 26 HG2 GLU 26 -8.341 4.279 6.646 211 HG3 GLU 26 HG1 GLU 26 -7.483 4.384 8.183 212 H LEU 27 HN LEU 27 -4.610 4.396 4.179 213 HA LEU 27 HA LEU 27 -6.230 2.803 2.558 214 HB2 LEU 27 HB2 LEU 27 -4.808 4.792 1.906 215 HB3 LEU 27 HB1 LEU 27 -3.442 3.694 1.876 216 HG LEU 27 HG LEU 27 -4.972 2.316 0.233 217 HD11 LEU 27 HD11 LEU 27 -6.376 3.758 -1.146 218 HD12 LEU 27 HD12 LEU 27 -6.045 5.117 -0.074 219 HD13 LEU 27 HD13 LEU 27 -6.942 3.721 0.523 220 HD21 LEU 27 HD21 LEU 27 -3.538 4.848 -0.564 221 HD22 LEU 27 HD22 LEU 27 -3.986 3.536 -1.655 222 HD23 LEU 27 HD23 LEU 27 -2.814 3.252 -0.369 223 H ALA 28 HN ALA 28 -3.057 2.137 3.994 224 HA ALA 28 HA ALA 28 -2.683 -0.355 2.659 225 HB1 ALA 28 HB1 ALA 28 -0.857 -0.714 4.237 226 HB2 ALA 28 HB2 ALA 28 -1.410 0.656 5.198 227 HB3 ALA 28 HB3 ALA 28 -0.801 0.919 3.566 228 H GLU 29 HN GLU 29 -4.352 0.644 5.553 229 HA GLU 29 HA GLU 29 -4.579 -1.883 6.787 230 HB2 GLU 29 HB2 GLU 29 -5.425 0.843 7.170 231 HB3 GLU 29 HB1 GLU 29 -6.733 -0.255 7.521 232 HG2 GLU 29 HG2 GLU 29 -5.261 -1.467 9.078 233 HG3 GLU 29 HG1 GLU 29 -3.993 -0.296 8.726 234 H GLU 30 HN GLU 30 -6.300 -0.244 4.254 235 HA GLU 30 HA GLU 30 -8.690 -1.794 4.354 236 HB2 GLU 30 HB2 GLU 30 -7.624 0.382 2.782 237 HB3 GLU 30 HB1 GLU 30 -8.352 -0.826 1.733 238 HG2 GLU 30 HG2 GLU 30 -10.381 -0.696 3.260 239 HG3 GLU 30 HG1 GLU 30 -9.645 0.764 3.923 240 H ILE 31 HN ILE 31 -5.832 -1.847 2.220 241 HA ILE 31 HA ILE 31 -6.641 -4.105 0.730 242 HB ILE 31 HB ILE 31 -4.933 -2.451 -0.034 243 HG12 ILE 31 HG12 ILE 31 -3.269 -4.375 -0.799 244 HG13 ILE 31 HG11 ILE 31 -4.524 -5.403 -0.116 245 HG21 ILE 31 HG21 ILE 31 -2.975 -3.954 1.680 246 HG22 ILE 31 HG22 ILE 31 -3.700 -2.422 2.166 247 HG23 ILE 31 HG23 ILE 31 -2.693 -2.501 0.720 248 HD11 ILE 31 HD11 ILE 31 -4.731 -5.008 -2.554 249 HD12 ILE 31 HD12 ILE 31 -5.022 -3.303 -2.205 250 HD13 ILE 31 HD13 ILE 31 -6.149 -4.526 -1.623 251 H ALA 32 HN ALA 32 -4.868 -3.748 3.723 252 HA ALA 32 HA ALA 32 -3.832 -6.384 3.855 253 HB1 ALA 32 HB1 ALA 32 -4.363 -4.460 6.110 254 HB2 ALA 32 HB2 ALA 32 -2.900 -4.502 5.127 255 HB3 ALA 32 HB3 ALA 32 -3.307 -5.870 6.163 256 H ARG 33 HN ARG 33 -6.909 -4.987 4.688 257 HA ARG 33 HA ARG 33 -7.783 -7.026 6.455 258 HB2 ARG 33 HB2 ARG 33 -8.689 -4.577 5.868 259 HB3 ARG 33 HB1 ARG 33 -9.783 -5.526 4.868 260 HG2 ARG 33 HG2 ARG 33 -10.525 -6.771 6.801 261 HG3 ARG 33 HG1 ARG 33 -9.365 -5.922 7.823 262 HD2 ARG 33 HD2 ARG 33 -10.492 -3.803 7.323 263 HD3 ARG 33 HD1 ARG 33 -11.663 -4.669 6.330 264 HE ARG 33 HE ARG 33 -11.770 -5.882 8.782 265 HH11 ARG 33 HH12 ARG 33 -12.210 -2.637 7.585 266 HH12 ARG 33 HH11 ARG 33 -13.353 -2.204 8.811 267 HH21 ARG 33 HH21 ARG 33 -13.269 -5.321 10.397 268 HH22 ARG 33 HH22 ARG 33 -13.954 -3.732 10.411 269 H ARG 34 HN ARG 34 -7.921 -6.656 2.967 270 HA ARG 34 HA ARG 34 -9.828 -8.763 2.571 271 HB2 ARG 34 HB2 ARG 34 -8.158 -7.041 0.795 272 HB3 ARG 34 HB1 ARG 34 -8.847 -8.517 0.132 273 HG2 ARG 34 HG2 ARG 34 -10.523 -7.076 -0.378 274 HG3 ARG 34 HG1 ARG 34 -11.051 -7.552 1.237 275 HD2 ARG 34 HD2 ARG 34 -9.976 -5.573 2.177 276 HD3 ARG 34 HD1 ARG 34 -9.422 -5.100 0.572 277 HE ARG 34 HE ARG 34 -12.267 -5.417 0.719 278 HH11 ARG 34 HH12 ARG 34 -9.618 -3.243 1.343 279 HH12 ARG 34 HH11 ARG 34 -10.585 -1.813 1.211 280 HH21 ARG 34 HH22 ARG 34 -13.560 -3.530 0.556 281 HH22 ARG 34 HH21 ARG 34 -12.824 -1.976 0.765 282 H LEU 35 HN LEU 35 -6.326 -8.556 2.667 283 HA LEU 35 HA LEU 35 -6.110 -11.300 1.681 284 HB2 LEU 35 HB2 LEU 35 -4.134 -9.093 2.112 285 HB3 LEU 35 HB1 LEU 35 -3.591 -10.750 1.928 286 HG LEU 35 HG LEU 35 -5.134 -10.614 -0.245 287 HD11 LEU 35 HD11 LEU 35 -5.887 -8.338 0.148 288 HD12 LEU 35 HD12 LEU 35 -4.897 -8.417 -1.310 289 HD13 LEU 35 HD13 LEU 35 -4.216 -7.775 0.186 290 HD21 LEU 35 HD21 LEU 35 -3.098 -10.005 -1.513 291 HD22 LEU 35 HD22 LEU 35 -2.808 -11.229 -0.277 292 HD23 LEU 35 HD23 LEU 35 -2.323 -9.557 0.006 293 H GLY 36 HN GLY 36 -6.111 -9.584 4.642 294 HA2 GLY 36 HA2 GLY 36 -6.174 -10.517 6.773 295 HA3 GLY 36 HA1 GLY 36 -5.689 -12.059 6.087 296 H LEU 37 HN LEU 37 -4.149 -8.848 6.024 297 HA LEU 37 HA LEU 37 -1.873 -9.980 7.498 298 HB2 LEU 37 HB2 LEU 37 -1.533 -8.107 5.173 299 HB3 LEU 37 HB1 LEU 37 -0.285 -8.961 6.050 300 HG LEU 37 HG LEU 37 -2.354 -10.543 4.589 301 HD11 LEU 37 HD11 LEU 37 0.055 -9.254 3.314 302 HD12 LEU 37 HD12 LEU 37 -1.638 -8.919 2.943 303 HD13 LEU 37 HD13 LEU 37 -0.952 -10.502 2.576 304 HD21 LEU 37 HD21 LEU 37 -0.773 -11.683 6.048 305 HD22 LEU 37 HD22 LEU 37 0.575 -10.963 5.170 306 HD23 LEU 37 HD23 LEU 37 -0.493 -12.111 4.362 307 H SER 38 HN SER 38 -0.274 -8.022 7.942 308 HA SER 38 HA SER 38 -1.920 -5.909 9.158 309 HB2 SER 38 HB2 SER 38 0.151 -5.627 10.671 310 HB3 SER 38 HB1 SER 38 -0.850 -7.057 10.920 311 HG SER 38 HG SER 38 1.744 -6.915 10.259 312 HA PRO 39 HA PRO 39 -0.003 -2.902 6.556 313 HB2 PRO 39 HB2 PRO 39 -0.119 -0.950 8.732 314 HB3 PRO 39 HB1 PRO 39 -1.018 -0.985 7.212 315 HG2 PRO 39 HG2 PRO 39 -2.200 -1.445 9.587 316 HG3 PRO 39 HG1 PRO 39 -2.740 -2.214 8.084 317 HD2 PRO 39 HD2 PRO 39 -1.094 -3.347 10.298 318 HD3 PRO 39 HD1 PRO 39 -2.380 -4.105 9.338 319 H GLU 40 HN GLU 40 1.387 -3.669 9.633 320 HA GLU 40 HA GLU 40 3.679 -1.973 9.417 321 HB2 GLU 40 HB2 GLU 40 2.957 -4.298 11.179 322 HB3 GLU 40 HB1 GLU 40 4.538 -3.533 11.265 323 HG2 GLU 40 HG2 GLU 40 3.480 -1.401 11.801 324 HG3 GLU 40 HG1 GLU 40 1.894 -2.163 11.702 325 H ASP 41 HN ASP 41 2.829 -5.027 8.096 326 HA ASP 41 HA ASP 41 5.621 -5.729 7.578 327 HB2 ASP 41 HB2 ASP 41 3.042 -7.261 7.388 328 HB3 ASP 41 HB1 ASP 41 4.499 -7.842 6.589 329 H ILE 42 HN ILE 42 2.750 -4.597 5.959 330 HA ILE 42 HA ILE 42 3.932 -5.038 3.331 331 HB ILE 42 HB ILE 42 1.410 -3.502 3.589 332 HG12 ILE 42 HG12 ILE 42 1.415 -6.501 3.931 333 HG13 ILE 42 HG11 ILE 42 1.296 -5.391 5.289 334 HG21 ILE 42 HG21 ILE 42 2.322 -5.738 1.786 335 HG22 ILE 42 HG22 ILE 42 2.367 -4.016 1.415 336 HG23 ILE 42 HG23 ILE 42 0.817 -4.830 1.621 337 HD11 ILE 42 HD11 ILE 42 -0.660 -5.784 3.050 338 HD12 ILE 42 HD12 ILE 42 -0.728 -4.412 4.154 339 HD13 ILE 42 HD13 ILE 42 -0.901 -6.052 4.777 340 H LYS 43 HN LYS 43 5.067 -3.562 2.298 341 HA LYS 43 HA LYS 43 4.823 -0.757 3.150 342 HB2 LYS 43 HB2 LYS 43 7.071 -2.277 3.344 343 HB3 LYS 43 HB1 LYS 43 7.289 -1.560 1.753 344 HG2 LYS 43 HG2 LYS 43 7.171 0.648 2.655 345 HG3 LYS 43 HG1 LYS 43 6.712 0.027 4.242 346 HD2 LYS 43 HD2 LYS 43 8.915 -1.191 4.279 347 HD3 LYS 43 HD1 LYS 43 9.356 -0.276 2.834 348 HE2 LYS 43 HE2 LYS 43 9.062 1.810 4.051 349 HE3 LYS 43 HE1 LYS 43 8.561 0.918 5.486 350 HZ1 LYS 43 HZ1 LYS 43 10.749 -0.089 5.589 351 HZ2 LYS 43 HZ2 LYS 43 10.879 1.597 5.612 352 HZ3 LYS 43 HZ3 LYS 43 11.230 0.744 4.195 353 H LEU 44 HN LEU 44 4.345 0.715 1.639 354 HA LEU 44 HA LEU 44 3.921 -0.244 -1.080 355 HB2 LEU 44 HB2 LEU 44 3.136 2.321 0.302 356 HB3 LEU 44 HB1 LEU 44 2.811 1.986 -1.389 357 HG LEU 44 HG LEU 44 1.836 0.043 0.653 358 HD11 LEU 44 HD11 LEU 44 -0.230 1.332 0.919 359 HD12 LEU 44 HD12 LEU 44 0.497 2.669 0.029 360 HD13 LEU 44 HD13 LEU 44 1.167 2.178 1.583 361 HD21 LEU 44 HD21 LEU 44 0.030 -0.222 -0.970 362 HD22 LEU 44 HD22 LEU 44 1.606 -0.453 -1.725 363 HD23 LEU 44 HD23 LEU 44 0.728 1.057 -1.963 364 H THR 45 HN THR 45 5.148 0.322 -2.772 365 HA THR 45 HA THR 45 7.179 2.410 -2.345 366 HB THR 45 HB THR 45 7.707 0.135 -4.209 367 HG1 THR 45 HG1 THR 45 8.626 -1.019 -2.436 368 HG21 THR 45 HG21 THR 45 9.228 2.055 -4.170 369 HG22 THR 45 HG22 THR 45 10.028 0.597 -3.580 370 HG23 THR 45 HG23 THR 45 9.477 1.823 -2.439 371 H HIS 46 HN HIS 46 7.110 4.030 -3.737 372 HA HIS 46 HA HIS 46 6.006 3.581 -6.418 373 HB2 HIS 46 HB2 HIS 46 4.372 4.644 -4.678 374 HB3 HIS 46 HB1 HIS 46 5.340 6.095 -4.919 375 HD1 HIS 46 HD1 HIS 46 4.904 7.442 -7.004 376 HD2 HIS 46 HD2 HIS 46 2.965 3.767 -7.026 377 HE1 HIS 46 HE1 HIS 46 3.375 7.501 -8.999 378 HE2 HIS 46 HE2 HIS 46 2.213 5.266 -8.996 379 H ASN 47 HN ASN 47 7.348 4.278 -7.931 380 HA ASN 47 HA ASN 47 8.977 5.387 -9.043 381 HB2 ASN 47 HB2 ASN 47 7.529 7.354 -8.092 382 HB3 ASN 47 HB1 ASN 47 8.929 7.636 -7.065 383 HD21 ASN 47 HD21 ASN 47 9.606 9.513 -7.930 384 HD22 ASN 47 HD22 ASN 47 10.172 9.691 -9.553 385 H GLY 48 HN GLY 48 9.591 3.652 -6.686 386 HA2 GLY 48 HA2 GLY 48 11.725 2.813 -6.119 387 HA3 GLY 48 HA1 GLY 48 12.418 4.374 -6.515 388 H LYS 49 HN LYS 49 10.209 5.634 -4.796 389 HA LYS 49 HA LYS 49 11.649 5.272 -2.267 390 HB2 LYS 49 HB2 LYS 49 10.461 7.422 -1.619 391 HB3 LYS 49 HB1 LYS 49 11.662 7.552 -2.895 392 HG2 LYS 49 HG2 LYS 49 9.882 7.531 -4.572 393 HG3 LYS 49 HG1 LYS 49 8.681 7.424 -3.284 394 HD2 LYS 49 HD2 LYS 49 9.399 9.575 -2.407 395 HD3 LYS 49 HD1 LYS 49 10.661 9.672 -3.637 396 HE2 LYS 49 HE2 LYS 49 8.904 11.008 -4.447 397 HE3 LYS 49 HE1 LYS 49 8.795 9.498 -5.350 398 HZ1 LYS 49 HZ1 LYS 49 6.629 10.299 -4.562 399 HZ2 LYS 49 HZ2 LYS 49 7.160 10.161 -2.964 400 HZ3 LYS 49 HZ3 LYS 49 7.013 8.780 -3.925 401 H THR 50 HN THR 50 10.548 5.022 -0.309 402 HA THR 50 HA THR 50 8.031 3.583 -0.593 403 HB THR 50 HB THR 50 8.486 3.098 1.914 404 HG1 THR 50 HG1 THR 50 11.147 3.726 1.151 405 HG21 THR 50 HG21 THR 50 10.328 2.043 -0.238 406 HG22 THR 50 HG22 THR 50 8.724 1.424 0.153 407 HG23 THR 50 HG23 THR 50 10.034 1.276 1.322 408 H LEU 51 HN LEU 51 6.300 3.918 0.919 409 HA LEU 51 HA LEU 51 5.957 6.768 1.545 410 HB2 LEU 51 HB2 LEU 51 4.003 4.523 1.093 411 HB3 LEU 51 HB1 LEU 51 3.513 6.079 1.737 412 HG LEU 51 HG LEU 51 4.778 6.936 -0.457 413 HD11 LEU 51 HD11 LEU 51 4.299 5.447 -2.334 414 HD12 LEU 51 HD12 LEU 51 3.731 4.211 -1.211 415 HD13 LEU 51 HD13 LEU 51 5.423 4.705 -1.195 416 HD21 LEU 51 HD21 LEU 51 2.548 6.905 -1.573 417 HD22 LEU 51 HD22 LEU 51 2.532 7.535 0.074 418 HD23 LEU 51 HD23 LEU 51 1.959 5.898 -0.251 419 H ASP 52 HN ASP 52 5.595 7.483 3.584 420 HA ASP 52 HA ASP 52 5.983 5.570 5.737 421 HB2 ASP 52 HB2 ASP 52 7.054 7.977 5.446 422 HB3 ASP 52 HB1 ASP 52 5.577 8.479 6.267 423 HA PRO 53 HA PRO 53 1.655 5.223 6.683 424 HB2 PRO 53 HB2 PRO 53 2.496 4.569 9.423 425 HB3 PRO 53 HB1 PRO 53 1.641 3.570 8.243 426 HG2 PRO 53 HG2 PRO 53 4.194 3.092 8.923 427 HG3 PRO 53 HG1 PRO 53 3.566 2.774 7.296 428 HD2 PRO 53 HD2 PRO 53 5.254 5.031 8.263 429 HD3 PRO 53 HD1 PRO 53 5.304 4.155 6.720 430 H SER 54 HN SER 54 3.829 7.229 8.539 431 HA SER 54 HA SER 54 1.763 8.392 10.170 432 HB2 SER 54 HB2 SER 54 4.636 9.214 9.726 433 HB3 SER 54 HB1 SER 54 3.560 9.907 10.940 434 HG SER 54 HG SER 54 4.495 7.236 10.776 435 H LEU 55 HN LEU 55 3.239 9.140 7.093 436 HA LEU 55 HA LEU 55 2.281 11.843 7.094 437 HB2 LEU 55 HB2 LEU 55 3.787 10.108 5.183 438 HB3 LEU 55 HB1 LEU 55 3.202 11.675 4.731 439 HG LEU 55 HG LEU 55 4.947 11.338 7.140 440 HD11 LEU 55 HD11 LEU 55 6.891 11.829 5.775 441 HD12 LEU 55 HD12 LEU 55 5.894 11.813 4.319 442 HD13 LEU 55 HD13 LEU 55 6.127 10.330 5.244 443 HD21 LEU 55 HD21 LEU 55 5.536 13.682 6.601 444 HD22 LEU 55 HD22 LEU 55 3.825 13.455 6.967 445 HD23 LEU 55 HD23 LEU 55 4.353 13.643 5.294 446 H THR 56 HN THR 56 1.411 12.334 4.660 447 HA THR 56 HA THR 56 -1.041 10.718 4.426 448 HB THR 56 HB THR 56 -2.137 12.742 3.500 449 HG1 THR 56 HG1 THR 56 0.183 14.140 4.378 450 HG21 THR 56 HG21 THR 56 -0.924 12.932 6.251 451 HG22 THR 56 HG22 THR 56 -2.526 12.343 5.807 452 HG23 THR 56 HG23 THR 56 -2.145 14.058 5.660 453 H LEU 57 HN LEU 57 -2.002 10.583 2.285 454 HA LEU 57 HA LEU 57 -0.057 9.880 0.318 455 HB2 LEU 57 HB2 LEU 57 -3.065 9.969 0.275 456 HB3 LEU 57 HB1 LEU 57 -2.104 9.413 -1.083 457 HG LEU 57 HG LEU 57 -1.708 8.142 1.594 458 HD11 LEU 57 HD11 LEU 57 -3.934 7.460 -0.320 459 HD12 LEU 57 HD12 LEU 57 -4.119 8.131 1.300 460 HD13 LEU 57 HD13 LEU 57 -3.456 6.512 1.090 461 HD21 LEU 57 HD21 LEU 57 -1.569 7.106 -1.234 462 HD22 LEU 57 HD22 LEU 57 -1.174 6.198 0.226 463 HD23 LEU 57 HD23 LEU 57 -0.196 7.590 -0.238 464 H ALA 58 HN ALA 58 -2.144 12.640 0.829 465 HA ALA 58 HA ALA 58 -1.803 13.697 -1.819 466 HB1 ALA 58 HB1 ALA 58 -3.046 15.616 -1.006 467 HB2 ALA 58 HB2 ALA 58 -2.883 15.034 0.652 468 HB3 ALA 58 HB3 ALA 58 -3.831 14.114 -0.513 469 H GLU 59 HN GLU 59 0.142 13.720 0.973 470 HA GLU 59 HA GLU 59 1.371 16.291 0.460 471 HB2 GLU 59 HB2 GLU 59 1.113 14.874 2.724 472 HB3 GLU 59 HB1 GLU 59 2.708 14.323 2.232 473 HG2 GLU 59 HG2 GLU 59 3.476 16.642 2.144 474 HG3 GLU 59 HG1 GLU 59 1.877 17.186 2.647 475 H TYR 60 HN TYR 60 1.789 13.038 -0.522 476 HA TYR 60 HA TYR 60 4.556 13.379 -1.309 477 HB2 TYR 60 HB2 TYR 60 2.613 11.140 -1.166 478 HB3 TYR 60 HB1 TYR 60 3.897 11.012 -2.355 479 HD1 TYR 60 HD1 TYR 60 6.260 10.924 -1.622 480 HD2 TYR 60 HD2 TYR 60 3.055 10.940 1.175 481 HE1 TYR 60 HE1 TYR 60 7.794 10.131 0.131 482 HE2 TYR 60 HE2 TYR 60 4.577 10.150 2.935 483 HH TYR 60 HH TYR 60 7.865 10.263 2.718 484 H GLY 61 HN GLY 61 1.428 13.779 -2.689 485 HA2 GLY 61 HA2 GLY 61 0.963 14.801 -4.742 486 HA3 GLY 61 HA1 GLY 61 2.637 14.550 -5.215 487 H ILE 62 HN ILE 62 0.172 12.225 -4.125 488 HA ILE 62 HA ILE 62 0.700 10.684 -6.569 489 HB ILE 62 HB ILE 62 -0.772 9.667 -4.154 490 HG12 ILE 62 HG12 ILE 62 2.060 8.904 -4.511 491 HG13 ILE 62 HG11 ILE 62 1.782 10.560 -3.976 492 HG21 ILE 62 HG21 ILE 62 -1.013 8.386 -6.217 493 HG22 ILE 62 HG22 ILE 62 -0.095 7.484 -5.010 494 HG23 ILE 62 HG23 ILE 62 0.742 8.267 -6.351 495 HD11 ILE 62 HD11 ILE 62 2.116 9.047 -2.099 496 HD12 ILE 62 HD12 ILE 62 0.738 8.080 -2.629 497 HD13 ILE 62 HD13 ILE 62 0.494 9.738 -2.086 498 H THR 63 HN THR 63 -0.867 10.165 -7.993 499 HA THR 63 HA THR 63 -3.596 11.102 -7.417 500 HB THR 63 HB THR 63 -3.766 11.481 -9.940 501 HG1 THR 63 HG1 THR 63 -1.721 11.876 -10.948 502 HG21 THR 63 HG21 THR 63 -2.739 13.710 -9.795 503 HG22 THR 63 HG22 THR 63 -1.888 13.218 -8.332 504 HG23 THR 63 HG23 THR 63 -3.648 13.321 -8.335 505 HA PRO 64 HA PRO 64 -5.022 7.067 -8.503 506 HB2 PRO 64 HB2 PRO 64 -7.346 8.153 -9.891 507 HB3 PRO 64 HB1 PRO 64 -7.270 7.299 -8.346 508 HG2 PRO 64 HG2 PRO 64 -7.866 9.927 -8.520 509 HG3 PRO 64 HG1 PRO 64 -7.032 9.217 -7.125 510 HD2 PRO 64 HD2 PRO 64 -5.903 10.779 -9.404 511 HD3 PRO 64 HD1 PRO 64 -5.486 10.830 -7.678 512 H GLY 65 HN GLY 65 -5.018 5.583 -10.166 513 HA2 GLY 65 HA2 GLY 65 -5.272 4.976 -12.472 514 HA3 GLY 65 HA1 GLY 65 -4.891 6.634 -12.911 515 H SER 66 HN SER 66 -2.822 5.663 -10.487 516 HA SER 66 HA SER 66 -0.702 5.187 -12.449 517 HB2 SER 66 HB2 SER 66 0.846 5.682 -10.557 518 HB3 SER 66 HB1 SER 66 -0.262 7.007 -10.904 519 HG SER 66 HG SER 66 -0.648 6.863 -8.835 520 H THR 67 HN THR 67 1.035 3.641 -11.764 521 HA THR 67 HA THR 67 -0.219 1.164 -10.847 522 HB THR 67 HB THR 67 1.986 0.150 -11.681 523 HG1 THR 67 HG1 THR 67 3.339 1.433 -12.775 524 HG21 THR 67 HG21 THR 67 -0.126 0.016 -12.930 525 HG22 THR 67 HG22 THR 67 1.253 0.195 -14.012 526 HG23 THR 67 HG23 THR 67 0.215 1.579 -13.670 527 H ILE 68 HN ILE 68 0.159 0.378 -8.863 528 HA ILE 68 HA ILE 68 2.550 1.338 -7.424 529 HB ILE 68 HB ILE 68 -0.030 0.599 -6.056 530 HG12 ILE 68 HG12 ILE 68 0.235 3.344 -5.824 531 HG13 ILE 68 HG11 ILE 68 0.657 3.041 -7.505 532 HG21 ILE 68 HG21 ILE 68 2.379 2.171 -5.149 533 HG22 ILE 68 HG22 ILE 68 1.983 0.518 -4.683 534 HG23 ILE 68 HG23 ILE 68 0.937 1.848 -4.185 535 HD11 ILE 68 HD11 ILE 68 -1.463 1.959 -7.880 536 HD12 ILE 68 HD12 ILE 68 -1.723 3.558 -7.183 537 HD13 ILE 68 HD13 ILE 68 -1.879 2.121 -6.172 538 H THR 69 HN THR 69 3.799 -0.147 -6.430 539 HA THR 69 HA THR 69 2.886 -2.947 -6.488 540 HB THR 69 HB THR 69 5.802 -2.292 -6.508 541 HG1 THR 69 HG1 THR 69 3.984 -1.880 -8.608 542 HG21 THR 69 HG21 THR 69 5.055 -4.614 -6.265 543 HG22 THR 69 HG22 THR 69 5.915 -4.377 -7.786 544 HG23 THR 69 HG23 THR 69 4.156 -4.482 -7.777 545 H LEU 70 HN LEU 70 2.786 -3.947 -4.581 546 HA LEU 70 HA LEU 70 3.867 -2.576 -2.239 547 HB2 LEU 70 HB2 LEU 70 2.445 -4.020 -0.927 548 HB3 LEU 70 HB1 LEU 70 1.519 -3.290 -2.222 549 HG LEU 70 HG LEU 70 2.322 -5.674 -3.335 550 HD11 LEU 70 HD11 LEU 70 3.160 -6.505 -1.222 551 HD12 LEU 70 HD12 LEU 70 1.702 -7.383 -1.683 552 HD13 LEU 70 HD13 LEU 70 1.622 -6.135 -0.439 553 HD21 LEU 70 HD21 LEU 70 -0.182 -4.712 -2.015 554 HD22 LEU 70 HD22 LEU 70 -0.093 -6.342 -2.680 555 HD23 LEU 70 HD23 LEU 70 0.161 -4.948 -3.730 556 H GLU 71 HN GLU 71 4.910 -3.842 -0.534 557 HA GLU 71 HA GLU 71 6.348 -6.224 -1.458 558 HB2 GLU 71 HB2 GLU 71 7.591 -3.681 -0.425 559 HB3 GLU 71 HB1 GLU 71 8.421 -5.225 -0.290 560 HG2 GLU 71 HG2 GLU 71 8.253 -5.477 -2.748 561 HG3 GLU 71 HG1 GLU 71 7.560 -3.858 -2.828 562 H ILE 72 HN ILE 72 7.050 -7.613 0.217 563 HA ILE 72 HA ILE 72 6.078 -6.944 2.917 564 HB ILE 72 HB ILE 72 5.892 -9.736 1.797 565 HG12 ILE 72 HG12 ILE 72 3.296 -8.869 1.997 566 HG13 ILE 72 HG11 ILE 72 4.108 -7.443 1.357 567 HG21 ILE 72 HG21 ILE 72 4.341 -10.064 3.668 568 HG22 ILE 72 HG22 ILE 72 4.603 -8.393 4.169 569 HG23 ILE 72 HG23 ILE 72 5.934 -9.547 4.219 570 HD11 ILE 72 HD11 ILE 72 4.251 -10.193 0.142 571 HD12 ILE 72 HD12 ILE 72 4.926 -8.705 -0.522 572 HD13 ILE 72 HD13 ILE 72 3.177 -8.898 -0.391 573 H LYS 73 HN LYS 73 7.301 -7.734 4.630 574 HA LYS 73 HA LYS 73 9.831 -9.049 3.890 575 HB2 LYS 73 HB2 LYS 73 9.359 -6.788 5.824 576 HB3 LYS 73 HB1 LYS 73 10.807 -7.783 5.881 577 HG2 LYS 73 HG2 LYS 73 10.023 -6.490 3.311 578 HG3 LYS 73 HG1 LYS 73 10.801 -5.528 4.571 579 HD2 LYS 73 HD2 LYS 73 12.674 -7.106 4.616 580 HD3 LYS 73 HD1 LYS 73 11.894 -8.069 3.360 581 HE2 LYS 73 HE2 LYS 73 12.601 -5.168 2.990 582 HE3 LYS 73 HE1 LYS 73 13.715 -6.477 2.600 583 HZ1 LYS 73 HZ1 LYS 73 11.013 -6.105 1.423 584 HZ2 LYS 73 HZ2 LYS 73 12.089 -7.353 1.046 585 HZ3 LYS 73 HZ3 LYS 73 12.479 -5.755 0.655 586 H LYS 74 HN LYS 74 10.491 -10.732 5.124 587 HA LYS 74 HA LYS 74 8.675 -11.561 7.284 588 HB2 LYS 74 HB2 LYS 74 10.412 -13.132 5.392 589 HB3 LYS 74 HB1 LYS 74 9.780 -13.843 6.869 590 HG2 LYS 74 HG2 LYS 74 7.500 -13.375 6.116 591 HG3 LYS 74 HG1 LYS 74 8.142 -12.681 4.625 592 HD2 LYS 74 HD2 LYS 74 9.172 -14.841 4.078 593 HD3 LYS 74 HD1 LYS 74 8.500 -15.530 5.559 594 HE2 LYS 74 HE2 LYS 74 6.239 -15.072 4.744 595 HE3 LYS 74 HE1 LYS 74 6.909 -14.379 3.270 596 HZ1 LYS 74 HZ1 LYS 74 6.198 -16.658 2.928 597 HZ2 LYS 74 HZ2 LYS 74 7.229 -17.196 4.156 598 HZ3 LYS 74 HZ3 LYS 74 7.875 -16.531 2.740 599 H LYS 75 HN LYS 75 9.526 -12.355 9.234 600 HA LYS 75 HA LYS 75 12.378 -11.772 9.689 601 HB2 LYS 75 HB2 LYS 75 9.999 -11.060 11.388 602 HB3 LYS 75 HB1 LYS 75 11.615 -11.167 12.069 603 HG2 LYS 75 HG2 LYS 75 12.387 -9.450 10.509 604 HG3 LYS 75 HG1 LYS 75 10.761 -9.338 9.833 605 HD2 LYS 75 HD2 LYS 75 9.907 -8.662 12.034 606 HD3 LYS 75 HD1 LYS 75 11.544 -8.749 12.689 607 HE2 LYS 75 HE2 LYS 75 12.262 -7.013 11.121 608 HE3 LYS 75 HE1 LYS 75 10.625 -6.926 10.467 609 HZ1 LYS 75 HZ1 LYS 75 9.833 -6.217 12.636 610 HZ2 LYS 75 HZ2 LYS 75 11.029 -5.167 12.067 611 HZ3 LYS 75 HZ3 LYS 75 11.402 -6.302 13.264 612 H GLY 76 HN GLY 76 13.491 -13.130 11.102 613 HA2 GLY 76 HA2 GLY 76 13.542 -14.867 12.771 614 HA3 GLY 76 HA1 GLY 76 11.985 -15.424 12.173 615 H GLY 77 HN GLY 77 15.404 -15.113 11.282 616 HA2 GLY 77 HA2 GLY 77 16.500 -17.232 10.616 617 HA3 GLY 77 HA1 GLY 77 15.072 -17.548 9.641 618 H LEU 78 HN LEU 78 17.900 -17.375 8.885 619 HA LEU 78 HA LEU 78 19.042 -16.800 7.014 620 HB2 LEU 78 HB2 LEU 78 16.596 -15.159 6.374 621 HB3 LEU 78 HB1 LEU 78 17.993 -15.275 5.320 622 HG LEU 78 HG LEU 78 16.615 -17.777 6.203 623 HD11 LEU 78 HD11 LEU 78 15.705 -16.007 3.940 624 HD12 LEU 78 HD12 LEU 78 14.809 -16.352 5.420 625 HD13 LEU 78 HD13 LEU 78 15.135 -17.644 4.264 626 HD21 LEU 78 HD21 LEU 78 18.064 -16.975 3.684 627 HD22 LEU 78 HD22 LEU 78 17.400 -18.573 4.033 628 HD23 LEU 78 HD23 LEU 78 18.729 -17.939 5.003 629 H GLU 79 HN GLU 79 17.370 -13.927 8.306 630 HA GLU 79 HA GLU 79 19.865 -12.416 8.084 631 HB2 GLU 79 HB2 GLU 79 17.006 -11.616 8.614 632 HB3 GLU 79 HB1 GLU 79 18.346 -10.490 8.797 633 HG2 GLU 79 HG2 GLU 79 18.934 -10.796 6.451 634 HG3 GLU 79 HG1 GLU 79 17.606 -11.941 6.264 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -9.518 10.726 -12.090 2 H2 MET 1 HT2 MET 1 -11.181 10.514 -12.305 3 H3 MET 1 HT3 MET 1 -10.114 10.141 -13.563 4 HA MET 1 HA MET 1 -10.912 8.145 -12.480 5 HB2 MET 1 HB2 MET 1 -7.999 8.844 -12.119 6 HB3 MET 1 HB1 MET 1 -8.627 7.228 -11.832 7 HG2 MET 1 HG2 MET 1 -9.378 7.092 -14.143 8 HG3 MET 1 HG1 MET 1 -8.781 8.725 -14.439 9 HE1 MET 1 HE1 MET 1 -6.238 6.465 -16.423 10 HE2 MET 1 HE2 MET 1 -7.349 7.830 -16.532 11 HE3 MET 1 HE3 MET 1 -7.972 6.205 -16.234 12 H ASP 2 HN ASP 2 -10.947 6.808 -10.614 13 HA ASP 2 HA ASP 2 -10.464 8.158 -8.055 14 HB2 ASP 2 HB2 ASP 2 -13.040 6.878 -8.961 15 HB3 ASP 2 HB1 ASP 2 -12.666 7.129 -7.260 16 H THR 3 HN THR 3 -10.202 5.423 -9.991 17 HA THR 3 HA THR 3 -9.805 3.653 -7.675 18 HB THR 3 HB THR 3 -9.835 1.806 -9.442 19 HG1 THR 3 HG1 THR 3 -10.990 3.911 -10.988 20 HG21 THR 3 HG21 THR 3 -11.708 2.203 -7.929 21 HG22 THR 3 HG22 THR 3 -12.292 1.767 -9.535 22 HG23 THR 3 HG23 THR 3 -12.333 3.450 -9.008 23 H ILE 4 HN ILE 4 -7.975 2.325 -7.572 24 HA ILE 4 HA ILE 4 -5.719 3.111 -9.296 25 HB ILE 4 HB ILE 4 -4.259 2.710 -7.240 26 HG12 ILE 4 HG12 ILE 4 -6.519 3.565 -5.526 27 HG13 ILE 4 HG11 ILE 4 -6.553 1.885 -6.051 28 HG21 ILE 4 HG21 ILE 4 -4.539 4.906 -8.177 29 HG22 ILE 4 HG22 ILE 4 -4.596 5.018 -6.418 30 HG23 ILE 4 HG23 ILE 4 -6.088 5.100 -7.354 31 HD11 ILE 4 HD11 ILE 4 -4.348 1.530 -5.093 32 HD12 ILE 4 HD12 ILE 4 -5.477 2.140 -3.884 33 HD13 ILE 4 HD13 ILE 4 -4.282 3.223 -4.599 34 H ASN 5 HN ASN 5 -3.962 1.509 -9.323 35 HA ASN 5 HA ASN 5 -5.030 -1.210 -9.001 36 HB2 ASN 5 HB2 ASN 5 -4.480 -1.499 -11.158 37 HB3 ASN 5 HB1 ASN 5 -3.736 0.087 -11.228 38 HD21 ASN 5 HD21 ASN 5 -1.611 0.227 -11.368 39 HD22 ASN 5 HD22 ASN 5 -0.530 -1.118 -11.313 40 H ILE 6 HN ILE 6 -4.020 -2.583 -7.717 41 HA ILE 6 HA ILE 6 -1.391 -1.807 -6.635 42 HB ILE 6 HB ILE 6 -3.369 -3.466 -5.083 43 HG12 ILE 6 HG12 ILE 6 -3.444 -0.992 -3.887 44 HG13 ILE 6 HG11 ILE 6 -3.429 -0.573 -5.598 45 HG21 ILE 6 HG21 ILE 6 -1.968 -3.184 -3.294 46 HG22 ILE 6 HG22 ILE 6 -1.354 -1.638 -3.881 47 HG23 ILE 6 HG23 ILE 6 -0.795 -3.142 -4.611 48 HD11 ILE 6 HD11 ILE 6 -5.395 -2.419 -4.264 49 HD12 ILE 6 HD12 ILE 6 -5.395 -1.950 -5.964 50 HD13 ILE 6 HD13 ILE 6 -5.695 -0.741 -4.716 51 H THR 7 HN THR 7 0.114 -3.122 -7.376 52 HA THR 7 HA THR 7 -0.608 -5.770 -8.343 53 HB THR 7 HB THR 7 2.210 -4.832 -8.450 54 HG1 THR 7 HG1 THR 7 0.100 -3.381 -9.391 55 HG21 THR 7 HG21 THR 7 0.361 -6.172 -10.430 56 HG22 THR 7 HG22 THR 7 1.554 -6.982 -9.414 57 HG23 THR 7 HG23 THR 7 2.081 -5.870 -10.677 58 H LEU 8 HN LEU 8 -0.110 -7.636 -7.401 59 HA LEU 8 HA LEU 8 1.309 -7.572 -4.847 60 HB2 LEU 8 HB2 LEU 8 -1.005 -8.850 -5.838 61 HB3 LEU 8 HB1 LEU 8 0.176 -10.097 -5.586 62 HG LEU 8 HG LEU 8 0.369 -8.721 -3.240 63 HD11 LEU 8 HD11 LEU 8 -1.727 -8.032 -2.475 64 HD12 LEU 8 HD12 LEU 8 -2.573 -8.803 -3.817 65 HD13 LEU 8 HD13 LEU 8 -1.610 -7.352 -4.100 66 HD21 LEU 8 HD21 LEU 8 0.206 -11.133 -3.471 67 HD22 LEU 8 HD22 LEU 8 -1.499 -10.995 -3.898 68 HD23 LEU 8 HD23 LEU 8 -0.955 -10.549 -2.282 69 HA PRO 9 HA PRO 9 4.737 -9.867 -6.558 70 HB2 PRO 9 HB2 PRO 9 4.868 -11.655 -4.250 71 HB3 PRO 9 HB1 PRO 9 5.990 -10.375 -4.730 72 HG2 PRO 9 HG2 PRO 9 4.420 -10.166 -2.547 73 HG3 PRO 9 HG1 PRO 9 4.912 -8.764 -3.519 74 HD2 PRO 9 HD2 PRO 9 2.308 -10.230 -3.507 75 HD3 PRO 9 HD1 PRO 9 2.625 -8.485 -3.607 76 H ASP 10 HN ASP 10 1.751 -11.256 -6.019 77 HA ASP 10 HA ASP 10 2.516 -13.957 -6.811 78 HB2 ASP 10 HB2 ASP 10 -0.075 -12.693 -5.943 79 HB3 ASP 10 HB1 ASP 10 -0.032 -14.309 -6.645 80 H GLY 11 HN GLY 11 1.517 -11.036 -8.237 81 HA2 GLY 11 HA2 GLY 11 1.657 -10.737 -10.602 82 HA3 GLY 11 HA1 GLY 11 1.195 -12.419 -10.808 83 H LYS 12 HN LYS 12 -0.764 -11.046 -8.472 84 HA LYS 12 HA LYS 12 -2.861 -10.569 -10.479 85 HB2 LYS 12 HB2 LYS 12 -4.458 -11.001 -8.571 86 HB3 LYS 12 HB1 LYS 12 -3.510 -12.384 -9.093 87 HG2 LYS 12 HG2 LYS 12 -1.987 -12.043 -7.197 88 HG3 LYS 12 HG1 LYS 12 -2.979 -10.682 -6.666 89 HD2 LYS 12 HD2 LYS 12 -4.913 -12.217 -6.475 90 HD3 LYS 12 HD1 LYS 12 -3.853 -13.561 -6.906 91 HE2 LYS 12 HE2 LYS 12 -2.468 -13.068 -4.929 92 HE3 LYS 12 HE1 LYS 12 -3.581 -11.773 -4.492 93 HZ1 LYS 12 HZ1 LYS 12 -4.288 -14.651 -4.706 94 HZ2 LYS 12 HZ2 LYS 12 -5.346 -13.404 -4.275 95 HZ3 LYS 12 HZ3 LYS 12 -4.049 -13.801 -3.264 96 H THR 13 HN THR 13 -4.080 -8.742 -10.439 97 HA THR 13 HA THR 13 -3.029 -6.558 -8.785 98 HB THR 13 HB THR 13 -4.282 -5.107 -10.465 99 HG1 THR 13 HG1 THR 13 -5.608 -6.719 -11.379 100 HG21 THR 13 HG21 THR 13 -2.504 -5.315 -12.149 101 HG22 THR 13 HG22 THR 13 -2.036 -6.868 -11.457 102 HG23 THR 13 HG23 THR 13 -1.855 -5.390 -10.511 103 H LEU 14 HN LEU 14 -4.468 -5.016 -7.866 104 HA LEU 14 HA LEU 14 -7.207 -5.993 -7.411 105 HB2 LEU 14 HB2 LEU 14 -5.370 -6.214 -5.499 106 HB3 LEU 14 HB1 LEU 14 -5.787 -4.532 -5.238 107 HG LEU 14 HG LEU 14 -8.059 -6.427 -5.399 108 HD11 LEU 14 HD11 LEU 14 -6.510 -7.752 -4.101 109 HD12 LEU 14 HD12 LEU 14 -7.766 -7.103 -3.050 110 HD13 LEU 14 HD13 LEU 14 -6.160 -6.374 -3.059 111 HD21 LEU 14 HD21 LEU 14 -8.431 -4.067 -4.982 112 HD22 LEU 14 HD22 LEU 14 -7.354 -4.119 -3.586 113 HD23 LEU 14 HD23 LEU 14 -8.876 -5.011 -3.560 114 H THR 15 HN THR 15 -8.787 -4.392 -7.058 115 HA THR 15 HA THR 15 -7.966 -1.682 -7.875 116 HB THR 15 HB THR 15 -10.789 -2.621 -8.171 117 HG1 THR 15 HG1 THR 15 -8.644 -3.730 -9.419 118 HG21 THR 15 HG21 THR 15 -9.019 -0.736 -9.731 119 HG22 THR 15 HG22 THR 15 -10.293 -0.285 -8.598 120 HG23 THR 15 HG23 THR 15 -10.705 -1.092 -10.112 121 H LEU 16 HN LEU 16 -8.151 -0.169 -6.368 122 HA LEU 16 HA LEU 16 -10.288 -0.385 -4.367 123 HB2 LEU 16 HB2 LEU 16 -7.971 -1.141 -3.534 124 HB3 LEU 16 HB1 LEU 16 -7.524 0.550 -3.630 125 HG LEU 16 HG LEU 16 -9.626 0.913 -2.109 126 HD11 LEU 16 HD11 LEU 16 -8.961 -1.977 -1.566 127 HD12 LEU 16 HD12 LEU 16 -10.476 -1.353 -2.217 128 HD13 LEU 16 HD13 LEU 16 -9.998 -0.960 -0.564 129 HD21 LEU 16 HD21 LEU 16 -8.207 0.592 -0.118 130 HD22 LEU 16 HD22 LEU 16 -7.369 1.429 -1.426 131 HD23 LEU 16 HD23 LEU 16 -7.040 -0.277 -1.115 132 H THR 17 HN THR 17 -10.726 1.699 -3.274 133 HA THR 17 HA THR 17 -10.438 3.903 -5.180 134 HB THR 17 HB THR 17 -12.195 4.134 -2.777 135 HG1 THR 17 HG1 THR 17 -13.068 2.263 -3.368 136 HG21 THR 17 HG21 THR 17 -12.494 4.950 -5.670 137 HG22 THR 17 HG22 THR 17 -11.989 5.999 -4.345 138 HG23 THR 17 HG23 THR 17 -13.625 5.340 -4.373 139 H VAL 18 HN VAL 18 -9.477 5.832 -4.656 140 HA VAL 18 HA VAL 18 -8.221 5.988 -1.989 141 HB VAL 18 HB VAL 18 -6.504 7.489 -3.229 142 HG11 VAL 18 HG11 VAL 18 -6.629 4.498 -3.360 143 HG12 VAL 18 HG12 VAL 18 -5.724 5.520 -2.244 144 HG13 VAL 18 HG13 VAL 18 -5.223 5.394 -3.931 145 HG21 VAL 18 HG21 VAL 18 -7.657 7.626 -5.354 146 HG22 VAL 18 HG22 VAL 18 -7.597 5.872 -5.528 147 HG23 VAL 18 HG23 VAL 18 -6.105 6.812 -5.564 148 H THR 19 HN THR 19 -8.043 8.003 -1.004 149 HA THR 19 HA THR 19 -9.401 10.265 -2.282 150 HB THR 19 HB THR 19 -10.453 10.783 -0.001 151 HG1 THR 19 HG1 THR 19 -10.093 9.369 1.517 152 HG21 THR 19 HG21 THR 19 -11.461 8.403 -1.567 153 HG22 THR 19 HG22 THR 19 -11.779 10.099 -1.932 154 HG23 THR 19 HG23 THR 19 -12.420 9.381 -0.455 155 HA PRO 20 HA PRO 20 -5.980 12.534 -0.639 156 HB2 PRO 20 HB2 PRO 20 -7.065 15.015 -0.411 157 HB3 PRO 20 HB1 PRO 20 -6.640 14.291 -1.969 158 HG2 PRO 20 HG2 PRO 20 -9.314 14.482 -0.655 159 HG3 PRO 20 HG1 PRO 20 -8.879 14.721 -2.359 160 HD2 PRO 20 HD2 PRO 20 -9.995 12.429 -1.452 161 HD3 PRO 20 HD1 PRO 20 -8.855 12.470 -2.812 162 H GLU 21 HN GLU 21 -8.851 12.068 1.130 163 HA GLU 21 HA GLU 21 -7.859 13.432 3.511 164 HB2 GLU 21 HB2 GLU 21 -10.350 13.302 2.589 165 HB3 GLU 21 HB1 GLU 21 -10.366 11.826 3.545 166 HG2 GLU 21 HG2 GLU 21 -9.732 13.099 5.528 167 HG3 GLU 21 HG1 GLU 21 -9.703 14.578 4.568 168 H PHE 22 HN PHE 22 -7.601 10.410 2.079 169 HA PHE 22 HA PHE 22 -7.528 8.899 4.552 170 HB2 PHE 22 HB2 PHE 22 -7.807 8.282 1.769 171 HB3 PHE 22 HB1 PHE 22 -6.440 7.403 2.408 172 HD1 PHE 22 HD2 PHE 22 -9.953 8.225 3.338 173 HD2 PHE 22 HD1 PHE 22 -6.840 5.327 3.290 174 HE1 PHE 22 HE2 PHE 22 -11.493 6.565 4.299 175 HE2 PHE 22 HE1 PHE 22 -8.373 3.660 4.251 176 HZ PHE 22 HZ PHE 22 -10.702 4.278 4.757 177 H THR 23 HN THR 23 -5.692 8.007 5.454 178 HA THR 23 HA THR 23 -3.187 9.317 4.698 179 HB THR 23 HB THR 23 -2.348 8.232 6.858 180 HG1 THR 23 HG1 THR 23 -4.164 7.749 8.319 181 HG21 THR 23 HG21 THR 23 -4.568 10.276 6.933 182 HG22 THR 23 HG22 THR 23 -2.837 10.584 6.801 183 HG23 THR 23 HG23 THR 23 -3.503 9.920 8.292 184 H VAL 24 HN VAL 24 -1.182 7.858 4.939 185 HA VAL 24 HA VAL 24 -1.441 5.698 3.110 186 HB VAL 24 HB VAL 24 0.923 6.228 4.918 187 HG11 VAL 24 HG11 VAL 24 2.219 5.170 3.146 188 HG12 VAL 24 HG12 VAL 24 0.751 4.924 2.202 189 HG13 VAL 24 HG13 VAL 24 0.963 4.082 3.736 190 HG21 VAL 24 HG21 VAL 24 0.294 7.441 2.228 191 HG22 VAL 24 HG22 VAL 24 1.822 7.610 3.091 192 HG23 VAL 24 HG23 VAL 24 0.343 8.289 3.774 193 H LYS 25 HN LYS 25 -1.398 5.965 6.577 194 HA LYS 25 HA LYS 25 -0.978 3.207 7.158 195 HB2 LYS 25 HB2 LYS 25 -0.733 5.345 8.657 196 HB3 LYS 25 HB1 LYS 25 -2.432 5.055 9.005 197 HG2 LYS 25 HG2 LYS 25 -1.912 2.845 9.844 198 HG3 LYS 25 HG1 LYS 25 -0.212 3.068 9.429 199 HD2 LYS 25 HD2 LYS 25 -0.072 4.937 10.999 200 HD3 LYS 25 HD1 LYS 25 -1.776 4.722 11.409 201 HE2 LYS 25 HE2 LYS 25 -1.287 2.469 12.232 202 HE3 LYS 25 HE1 LYS 25 0.414 2.691 11.825 203 HZ1 LYS 25 HZ1 LYS 25 -1.114 4.298 13.800 204 HZ2 LYS 25 HZ2 LYS 25 0.517 4.514 13.407 205 HZ3 LYS 25 HZ3 LYS 25 0.013 3.090 14.168 206 H GLU 26 HN GLU 26 -3.825 5.258 6.771 207 HA GLU 26 HA GLU 26 -5.713 3.275 7.560 208 HB2 GLU 26 HB2 GLU 26 -5.826 5.965 7.197 209 HB3 GLU 26 HB1 GLU 26 -6.636 5.398 5.741 210 HG2 GLU 26 HG2 GLU 26 -8.458 5.424 7.040 211 HG3 GLU 26 HG1 GLU 26 -7.853 3.866 7.598 212 H LEU 27 HN LEU 27 -4.678 4.526 4.372 213 HA LEU 27 HA LEU 27 -6.296 2.862 2.823 214 HB2 LEU 27 HB2 LEU 27 -4.926 4.869 2.101 215 HB3 LEU 27 HB1 LEU 27 -3.544 3.797 2.061 216 HG LEU 27 HG LEU 27 -5.053 2.360 0.471 217 HD11 LEU 27 HD11 LEU 27 -7.071 3.706 0.824 218 HD12 LEU 27 HD12 LEU 27 -6.581 3.681 -0.870 219 HD13 LEU 27 HD13 LEU 27 -6.254 5.102 0.123 220 HD21 LEU 27 HD21 LEU 27 -3.757 4.941 -0.395 221 HD22 LEU 27 HD22 LEU 27 -4.176 3.599 -1.460 222 HD23 LEU 27 HD23 LEU 27 -2.959 3.380 -0.203 223 H ALA 28 HN ALA 28 -3.189 2.265 4.353 224 HA ALA 28 HA ALA 28 -2.618 -0.165 2.981 225 HB1 ALA 28 HB1 ALA 28 -0.857 -0.466 4.628 226 HB2 ALA 28 HB2 ALA 28 -1.535 0.836 5.606 227 HB3 ALA 28 HB3 ALA 28 -0.866 1.189 4.015 228 H GLU 29 HN GLU 29 -4.298 0.598 6.006 229 HA GLU 29 HA GLU 29 -4.423 -2.112 6.883 230 HB2 GLU 29 HB2 GLU 29 -5.661 -1.353 8.704 231 HB3 GLU 29 HB1 GLU 29 -4.636 0.015 8.303 232 HG2 GLU 29 HG2 GLU 29 -6.574 0.960 7.020 233 HG3 GLU 29 HG1 GLU 29 -7.561 -0.328 7.713 234 H GLU 30 HN GLU 30 -6.341 -0.199 4.720 235 HA GLU 30 HA GLU 30 -8.705 -1.790 4.806 236 HB2 GLU 30 HB2 GLU 30 -7.852 0.575 3.496 237 HB3 GLU 30 HB1 GLU 30 -8.358 -0.549 2.244 238 HG2 GLU 30 HG2 GLU 30 -10.226 0.801 2.851 239 HG3 GLU 30 HG1 GLU 30 -10.509 -0.836 3.430 240 H ILE 31 HN ILE 31 -5.991 -1.604 2.528 241 HA ILE 31 HA ILE 31 -6.844 -3.755 0.904 242 HB ILE 31 HB ILE 31 -5.251 -1.962 0.190 243 HG12 ILE 31 HG12 ILE 31 -3.603 -3.757 -0.886 244 HG13 ILE 31 HG11 ILE 31 -4.803 -4.873 -0.234 245 HG21 ILE 31 HG21 ILE 31 -3.160 -3.564 1.648 246 HG22 ILE 31 HG22 ILE 31 -3.837 -2.046 2.241 247 HG23 ILE 31 HG23 ILE 31 -2.927 -2.075 0.730 248 HD11 ILE 31 HD11 ILE 31 -5.182 -4.222 -2.594 249 HD12 ILE 31 HD12 ILE 31 -5.458 -2.568 -2.047 250 HD13 ILE 31 HD13 ILE 31 -6.534 -3.864 -1.522 251 H ALA 32 HN ALA 32 -4.857 -3.607 3.792 252 HA ALA 32 HA ALA 32 -3.723 -6.202 3.582 253 HB1 ALA 32 HB1 ALA 32 -2.835 -4.329 4.980 254 HB2 ALA 32 HB2 ALA 32 -2.946 -5.882 5.809 255 HB3 ALA 32 HB3 ALA 32 -4.155 -4.631 6.110 256 H ARG 33 HN ARG 33 -6.732 -4.990 4.881 257 HA ARG 33 HA ARG 33 -7.410 -7.253 6.441 258 HB2 ARG 33 HB2 ARG 33 -8.507 -4.727 5.888 259 HB3 ARG 33 HB1 ARG 33 -9.738 -5.901 5.439 260 HG2 ARG 33 HG2 ARG 33 -9.627 -6.892 7.652 261 HG3 ARG 33 HG1 ARG 33 -8.348 -5.763 8.106 262 HD2 ARG 33 HD2 ARG 33 -9.889 -3.892 7.743 263 HD3 ARG 33 HD1 ARG 33 -11.166 -5.032 7.323 264 HE ARG 33 HE ARG 33 -10.249 -5.774 9.821 265 HH11 ARG 33 HH12 ARG 33 -11.750 -2.974 8.379 266 HH12 ARG 33 HH11 ARG 33 -12.544 -2.490 9.840 267 HH21 ARG 33 HH21 ARG 33 -11.287 -5.146 11.741 268 HH22 ARG 33 HH22 ARG 33 -12.279 -3.726 11.752 269 H ARG 34 HN ARG 34 -7.884 -6.476 3.047 270 HA ARG 34 HA ARG 34 -9.682 -8.707 2.633 271 HB2 ARG 34 HB2 ARG 34 -8.569 -6.550 0.879 272 HB3 ARG 34 HB1 ARG 34 -9.296 -7.976 0.152 273 HG2 ARG 34 HG2 ARG 34 -11.096 -6.561 0.234 274 HG3 ARG 34 HG1 ARG 34 -11.282 -7.427 1.760 275 HD2 ARG 34 HD2 ARG 34 -10.165 -5.603 2.935 276 HD3 ARG 34 HD1 ARG 34 -9.959 -4.741 1.413 277 HE ARG 34 HE ARG 34 -12.660 -5.195 1.637 278 HH11 ARG 34 HH12 ARG 34 -10.212 -3.596 3.537 279 HH12 ARG 34 HH11 ARG 34 -11.305 -2.431 4.206 280 HH21 ARG 34 HH22 ARG 34 -14.108 -3.645 2.502 281 HH22 ARG 34 HH21 ARG 34 -13.518 -2.459 3.619 282 H LEU 35 HN LEU 35 -6.316 -8.270 2.705 283 HA LEU 35 HA LEU 35 -5.854 -10.566 0.941 284 HB2 LEU 35 HB2 LEU 35 -3.982 -8.516 2.104 285 HB3 LEU 35 HB1 LEU 35 -3.424 -9.936 1.240 286 HG LEU 35 HG LEU 35 -5.357 -8.046 -0.060 287 HD11 LEU 35 HD11 LEU 35 -3.447 -6.843 -1.026 288 HD12 LEU 35 HD12 LEU 35 -2.360 -7.739 0.036 289 HD13 LEU 35 HD13 LEU 35 -3.552 -6.633 0.721 290 HD21 LEU 35 HD21 LEU 35 -4.318 -8.884 -2.095 291 HD22 LEU 35 HD22 LEU 35 -4.923 -10.217 -1.109 292 HD23 LEU 35 HD23 LEU 35 -3.197 -9.855 -1.137 293 H GLY 36 HN GLY 36 -6.017 -9.718 4.247 294 HA2 GLY 36 HA2 GLY 36 -6.025 -11.192 6.050 295 HA3 GLY 36 HA1 GLY 36 -5.374 -12.442 5.003 296 H LEU 37 HN LEU 37 -3.955 -9.247 5.379 297 HA LEU 37 HA LEU 37 -1.770 -10.431 6.953 298 HB2 LEU 37 HB2 LEU 37 -1.299 -8.451 4.741 299 HB3 LEU 37 HB1 LEU 37 -0.102 -9.339 5.655 300 HG LEU 37 HG LEU 37 -2.061 -10.876 4.010 301 HD11 LEU 37 HD11 LEU 37 -1.296 -9.157 2.482 302 HD12 LEU 37 HD12 LEU 37 -0.572 -10.711 2.070 303 HD13 LEU 37 HD13 LEU 37 0.383 -9.491 2.915 304 HD21 LEU 37 HD21 LEU 37 0.845 -11.269 4.720 305 HD22 LEU 37 HD22 LEU 37 -0.154 -12.397 3.802 306 HD23 LEU 37 HD23 LEU 37 -0.531 -12.057 5.491 307 H SER 38 HN SER 38 -0.213 -8.503 7.588 308 HA SER 38 HA SER 38 -1.932 -6.518 8.905 309 HB2 SER 38 HB2 SER 38 0.109 -6.206 10.404 310 HB3 SER 38 HB1 SER 38 -0.715 -7.761 10.527 311 HG SER 38 HG SER 38 1.170 -8.576 10.107 312 HA PRO 39 HA PRO 39 -0.298 -3.326 6.317 313 HB2 PRO 39 HB2 PRO 39 -0.794 -1.175 7.904 314 HB3 PRO 39 HB1 PRO 39 -2.061 -2.037 7.017 315 HG2 PRO 39 HG2 PRO 39 -1.283 -2.285 9.891 316 HG3 PRO 39 HG1 PRO 39 -2.901 -2.223 9.168 317 HD2 PRO 39 HD2 PRO 39 -1.768 -4.541 9.942 318 HD3 PRO 39 HD1 PRO 39 -2.861 -4.437 8.547 319 H GLU 40 HN GLU 40 0.980 -3.932 9.473 320 HA GLU 40 HA GLU 40 3.034 -1.941 9.421 321 HB2 GLU 40 HB2 GLU 40 2.509 -4.360 11.123 322 HB3 GLU 40 HB1 GLU 40 3.970 -3.401 11.316 323 HG2 GLU 40 HG2 GLU 40 2.607 -1.423 11.777 324 HG3 GLU 40 HG1 GLU 40 1.146 -2.396 11.597 325 H ASP 41 HN ASP 41 2.705 -5.098 8.078 326 HA ASP 41 HA ASP 41 5.593 -5.403 7.729 327 HB2 ASP 41 HB2 ASP 41 3.252 -7.252 7.387 328 HB3 ASP 41 HB1 ASP 41 4.797 -7.629 6.632 329 H ILE 42 HN ILE 42 2.718 -4.617 5.925 330 HA ILE 42 HA ILE 42 4.039 -4.940 3.362 331 HB ILE 42 HB ILE 42 1.426 -3.533 3.579 332 HG12 ILE 42 HG12 ILE 42 1.634 -6.539 3.770 333 HG13 ILE 42 HG11 ILE 42 1.360 -5.506 5.165 334 HG21 ILE 42 HG21 ILE 42 2.512 -3.869 1.415 335 HG22 ILE 42 HG22 ILE 42 0.982 -4.738 1.509 336 HG23 ILE 42 HG23 ILE 42 2.502 -5.611 1.681 337 HD11 ILE 42 HD11 ILE 42 -0.449 -5.934 2.807 338 HD12 ILE 42 HD12 ILE 42 -0.688 -4.649 3.989 339 HD13 ILE 42 HD13 ILE 42 -0.746 -6.334 4.500 340 H LYS 43 HN LYS 43 5.189 -3.427 2.408 341 HA LYS 43 HA LYS 43 4.811 -0.635 3.256 342 HB2 LYS 43 HB2 LYS 43 7.110 -2.065 3.457 343 HB3 LYS 43 HB1 LYS 43 7.313 -1.349 1.865 344 HG2 LYS 43 HG2 LYS 43 7.089 0.861 2.759 345 HG3 LYS 43 HG1 LYS 43 6.671 0.221 4.350 346 HD2 LYS 43 HD2 LYS 43 8.931 -0.884 4.381 347 HD3 LYS 43 HD1 LYS 43 9.318 0.030 2.922 348 HE2 LYS 43 HE2 LYS 43 8.928 2.120 4.112 349 HE3 LYS 43 HE1 LYS 43 8.486 1.222 5.564 350 HZ1 LYS 43 HZ1 LYS 43 10.768 2.022 5.656 351 HZ2 LYS 43 HZ2 LYS 43 11.150 1.163 4.252 352 HZ3 LYS 43 HZ3 LYS 43 10.723 0.330 5.660 353 H LEU 44 HN LEU 44 4.468 0.902 1.755 354 HA LEU 44 HA LEU 44 3.911 -0.014 -0.953 355 HB2 LEU 44 HB2 LEU 44 3.329 2.582 0.472 356 HB3 LEU 44 HB1 LEU 44 2.942 2.296 -1.212 357 HG LEU 44 HG LEU 44 1.680 0.189 -0.150 358 HD11 LEU 44 HD11 LEU 44 0.573 0.863 1.934 359 HD12 LEU 44 HD12 LEU 44 1.602 2.294 2.009 360 HD13 LEU 44 HD13 LEU 44 2.317 0.686 2.139 361 HD21 LEU 44 HD21 LEU 44 0.619 3.008 -0.287 362 HD22 LEU 44 HD22 LEU 44 -0.371 1.553 -0.197 363 HD23 LEU 44 HD23 LEU 44 0.658 1.833 -1.601 364 H THR 45 HN THR 45 5.145 0.462 -2.671 365 HA THR 45 HA THR 45 7.297 2.438 -2.297 366 HB THR 45 HB THR 45 7.701 0.158 -4.174 367 HG1 THR 45 HG1 THR 45 7.032 -0.382 -1.766 368 HG21 THR 45 HG21 THR 45 10.037 0.460 -3.481 369 HG22 THR 45 HG22 THR 45 9.534 1.703 -2.336 370 HG23 THR 45 HG23 THR 45 9.338 1.970 -4.069 371 H HIS 46 HN HIS 46 7.317 4.039 -3.704 372 HA HIS 46 HA HIS 46 6.140 3.645 -6.363 373 HB2 HIS 46 HB2 HIS 46 4.628 4.851 -4.592 374 HB3 HIS 46 HB1 HIS 46 5.684 6.225 -4.899 375 HD1 HIS 46 HD1 HIS 46 2.829 4.363 -6.285 376 HD2 HIS 46 HD2 HIS 46 5.561 7.204 -7.604 377 HE1 HIS 46 HE1 HIS 46 1.871 5.278 -8.423 378 HE2 HIS 46 HE2 HIS 46 3.541 6.995 -9.205 379 H ASN 47 HN ASN 47 7.526 4.202 -7.891 380 HA ASN 47 HA ASN 47 9.230 5.155 -9.039 381 HB2 ASN 47 HB2 ASN 47 7.879 7.237 -8.180 382 HB3 ASN 47 HB1 ASN 47 9.298 7.497 -7.173 383 HD21 ASN 47 HD21 ASN 47 9.986 9.330 -8.150 384 HD22 ASN 47 HD22 ASN 47 10.577 9.396 -9.771 385 H GLY 48 HN GLY 48 9.767 3.477 -6.648 386 HA2 GLY 48 HA2 GLY 48 11.840 2.577 -5.990 387 HA3 GLY 48 HA1 GLY 48 12.617 4.082 -6.454 388 H LYS 49 HN LYS 49 10.385 5.478 -4.839 389 HA LYS 49 HA LYS 49 11.816 5.318 -2.291 390 HB2 LYS 49 HB2 LYS 49 9.981 7.389 -3.487 391 HB3 LYS 49 HB1 LYS 49 10.471 7.437 -1.798 392 HG2 LYS 49 HG2 LYS 49 12.809 7.577 -2.473 393 HG3 LYS 49 HG1 LYS 49 12.329 7.513 -4.168 394 HD2 LYS 49 HD2 LYS 49 11.081 9.599 -3.892 395 HD3 LYS 49 HD1 LYS 49 11.554 9.659 -2.192 396 HE2 LYS 49 HE2 LYS 49 13.052 11.095 -3.296 397 HE3 LYS 49 HE1 LYS 49 13.956 9.607 -3.017 398 HZ1 LYS 49 HZ1 LYS 49 12.631 10.359 -5.568 399 HZ2 LYS 49 HZ2 LYS 49 13.532 8.954 -5.297 400 HZ3 LYS 49 HZ3 LYS 49 14.291 10.465 -5.256 401 H THR 50 HN THR 50 10.737 5.117 -0.316 402 HA THR 50 HA THR 50 8.249 3.600 -0.507 403 HB THR 50 HB THR 50 8.770 3.191 2.000 404 HG1 THR 50 HG1 THR 50 11.445 3.606 1.321 405 HG21 THR 50 HG21 THR 50 10.365 1.385 1.409 406 HG22 THR 50 HG22 THR 50 10.527 2.094 -0.198 407 HG23 THR 50 HG23 THR 50 8.971 1.449 0.331 408 H LEU 51 HN LEU 51 6.514 3.989 0.960 409 HA LEU 51 HA LEU 51 6.208 6.844 1.570 410 HB2 LEU 51 HB2 LEU 51 4.229 4.634 1.074 411 HB3 LEU 51 HB1 LEU 51 3.747 6.180 1.746 412 HG LEU 51 HG LEU 51 5.013 7.100 -0.402 413 HD11 LEU 51 HD11 LEU 51 4.070 4.363 -1.246 414 HD12 LEU 51 HD12 LEU 51 5.742 4.921 -1.191 415 HD13 LEU 51 HD13 LEU 51 4.607 5.647 -2.329 416 HD21 LEU 51 HD21 LEU 51 2.764 7.669 0.034 417 HD22 LEU 51 HD22 LEU 51 2.217 6.012 -0.218 418 HD23 LEU 51 HD23 LEU 51 2.787 6.970 -1.584 419 H ASP 52 HN ASP 52 5.831 7.578 3.589 420 HA ASP 52 HA ASP 52 6.141 5.675 5.766 421 HB2 ASP 52 HB2 ASP 52 7.295 8.038 5.466 422 HB3 ASP 52 HB1 ASP 52 5.822 8.605 6.248 423 HA PRO 53 HA PRO 53 1.795 5.486 6.701 424 HB2 PRO 53 HB2 PRO 53 2.584 4.939 9.480 425 HB3 PRO 53 HB1 PRO 53 1.713 3.909 8.338 426 HG2 PRO 53 HG2 PRO 53 4.241 3.387 9.065 427 HG3 PRO 53 HG1 PRO 53 3.626 3.025 7.442 428 HD2 PRO 53 HD2 PRO 53 5.360 5.272 8.346 429 HD3 PRO 53 HD1 PRO 53 5.417 4.329 6.846 430 H SER 54 HN SER 54 3.994 7.521 8.496 431 HA SER 54 HA SER 54 1.971 8.806 10.074 432 HB2 SER 54 HB2 SER 54 4.846 9.555 9.525 433 HB3 SER 54 HB1 SER 54 3.803 10.377 10.685 434 HG SER 54 HG SER 54 3.699 7.750 11.134 435 H LEU 55 HN LEU 55 3.343 9.348 6.917 436 HA LEU 55 HA LEU 55 2.418 12.059 6.773 437 HB2 LEU 55 HB2 LEU 55 3.836 10.178 4.935 438 HB3 LEU 55 HB1 LEU 55 3.231 11.702 4.382 439 HG LEU 55 HG LEU 55 5.060 11.588 6.743 440 HD11 LEU 55 HD11 LEU 55 5.937 11.751 3.866 441 HD12 LEU 55 HD12 LEU 55 6.160 10.358 4.923 442 HD13 LEU 55 HD13 LEU 55 6.970 11.881 5.289 443 HD21 LEU 55 HD21 LEU 55 4.445 13.687 4.671 444 HD22 LEU 55 HD22 LEU 55 5.658 13.850 5.943 445 HD23 LEU 55 HD23 LEU 55 3.951 13.690 6.363 446 H THR 56 HN THR 56 1.458 12.396 4.346 447 HA THR 56 HA THR 56 -1.006 10.784 4.295 448 HB THR 56 HB THR 56 -2.155 12.759 3.344 449 HG1 THR 56 HG1 THR 56 0.190 14.215 4.038 450 HG21 THR 56 HG21 THR 56 -2.413 12.460 5.690 451 HG22 THR 56 HG22 THR 56 -2.079 14.173 5.432 452 HG23 THR 56 HG23 THR 56 -0.802 13.104 6.013 453 H LEU 57 HN LEU 57 -2.097 10.716 2.159 454 HA LEU 57 HA LEU 57 -0.267 9.822 0.162 455 HB2 LEU 57 HB2 LEU 57 -3.259 10.157 0.179 456 HB3 LEU 57 HB1 LEU 57 -2.374 9.481 -1.175 457 HG LEU 57 HG LEU 57 -2.046 8.269 1.540 458 HD11 LEU 57 HD11 LEU 57 -4.450 8.435 1.261 459 HD12 LEU 57 HD12 LEU 57 -3.919 6.763 1.089 460 HD13 LEU 57 HD13 LEU 57 -4.332 7.709 -0.340 461 HD21 LEU 57 HD21 LEU 57 -1.676 6.244 0.231 462 HD22 LEU 57 HD22 LEU 57 -0.591 7.539 -0.278 463 HD23 LEU 57 HD23 LEU 57 -2.003 7.138 -1.255 464 H ALA 58 HN ALA 58 -2.107 12.754 0.670 465 HA ALA 58 HA ALA 58 -1.688 13.726 -2.014 466 HB1 ALA 58 HB1 ALA 58 -2.843 15.725 -1.270 467 HB2 ALA 58 HB2 ALA 58 -2.760 15.167 0.400 468 HB3 ALA 58 HB3 ALA 58 -3.726 14.279 -0.776 469 H GLU 59 HN GLU 59 0.280 13.560 0.690 470 HA GLU 59 HA GLU 59 1.619 16.103 0.318 471 HB2 GLU 59 HB2 GLU 59 1.366 14.486 2.475 472 HB3 GLU 59 HB1 GLU 59 2.944 13.978 1.892 473 HG2 GLU 59 HG2 GLU 59 2.409 16.887 2.169 474 HG3 GLU 59 HG1 GLU 59 2.677 15.936 3.627 475 H TYR 60 HN TYR 60 2.014 12.775 -0.611 476 HA TYR 60 HA TYR 60 4.690 13.101 -1.595 477 HB2 TYR 60 HB2 TYR 60 2.699 10.901 -1.419 478 HB3 TYR 60 HB1 TYR 60 3.984 10.753 -2.603 479 HD1 TYR 60 HD2 TYR 60 6.342 10.629 -1.864 480 HD2 TYR 60 HD1 TYR 60 3.131 10.700 0.926 481 HE1 TYR 60 HE2 TYR 60 7.861 9.821 -0.102 482 HE2 TYR 60 HE1 TYR 60 4.637 9.892 2.692 483 HH TYR 60 HH TYR 60 7.957 9.922 2.441 484 H GLY 61 HN GLY 61 1.519 13.578 -2.836 485 HA2 GLY 61 HA2 GLY 61 0.986 14.618 -4.861 486 HA3 GLY 61 HA1 GLY 61 2.631 14.339 -5.409 487 H ILE 62 HN ILE 62 0.171 12.054 -4.221 488 HA ILE 62 HA ILE 62 0.593 10.479 -6.661 489 HB ILE 62 HB ILE 62 -0.946 9.546 -4.254 490 HG12 ILE 62 HG12 ILE 62 1.895 8.742 -4.532 491 HG13 ILE 62 HG11 ILE 62 1.602 10.386 -3.971 492 HG21 ILE 62 HG21 ILE 62 0.602 8.078 -6.385 493 HG22 ILE 62 HG22 ILE 62 -1.153 8.235 -6.304 494 HG23 ILE 62 HG23 ILE 62 -0.288 7.333 -5.058 495 HD11 ILE 62 HD11 ILE 62 0.215 9.499 -2.159 496 HD12 ILE 62 HD12 ILE 62 1.866 8.886 -2.102 497 HD13 ILE 62 HD13 ILE 62 0.565 7.861 -2.709 498 H THR 63 HN THR 63 -1.048 9.900 -8.020 499 HA THR 63 HA THR 63 -3.700 11.055 -7.478 500 HB THR 63 HB THR 63 -3.885 11.315 -10.012 501 HG1 THR 63 HG1 THR 63 -1.109 10.797 -9.721 502 HG21 THR 63 HG21 THR 63 -2.720 13.481 -10.004 503 HG22 THR 63 HG22 THR 63 -1.876 13.019 -8.526 504 HG23 THR 63 HG23 THR 63 -3.629 13.229 -8.514 505 HA PRO 64 HA PRO 64 -5.383 7.059 -8.325 506 HB2 PRO 64 HB2 PRO 64 -7.631 8.212 -9.795 507 HB3 PRO 64 HB1 PRO 64 -7.620 7.420 -8.216 508 HG2 PRO 64 HG2 PRO 64 -8.059 10.065 -8.493 509 HG3 PRO 64 HG1 PRO 64 -7.262 9.369 -7.070 510 HD2 PRO 64 HD2 PRO 64 -6.053 10.767 -9.412 511 HD3 PRO 64 HD1 PRO 64 -5.631 10.867 -7.691 512 H GLY 65 HN GLY 65 -5.167 5.505 -9.856 513 HA2 GLY 65 HA2 GLY 65 -5.423 4.689 -12.097 514 HA3 GLY 65 HA1 GLY 65 -5.174 6.327 -12.681 515 H SER 66 HN SER 66 -3.043 5.510 -10.193 516 HA SER 66 HA SER 66 -0.881 5.161 -12.143 517 HB2 SER 66 HB2 SER 66 -0.826 7.041 -10.411 518 HB3 SER 66 HB1 SER 66 -0.540 5.782 -9.209 519 HG SER 66 HG SER 66 1.183 6.896 -10.976 520 H THR 67 HN THR 67 0.874 3.693 -11.592 521 HA THR 67 HA THR 67 -0.168 1.151 -10.655 522 HB THR 67 HB THR 67 2.155 0.343 -11.382 523 HG1 THR 67 HG1 THR 67 2.786 2.781 -11.393 524 HG21 THR 67 HG21 THR 67 1.551 0.368 -13.744 525 HG22 THR 67 HG22 THR 67 0.398 1.670 -13.452 526 HG23 THR 67 HG23 THR 67 0.125 0.075 -12.749 527 H ILE 68 HN ILE 68 0.147 0.378 -8.663 528 HA ILE 68 HA ILE 68 2.407 1.438 -7.090 529 HB ILE 68 HB ILE 68 -0.182 0.540 -5.842 530 HG12 ILE 68 HG12 ILE 68 0.360 3.431 -5.932 531 HG13 ILE 68 HG11 ILE 68 -0.039 2.718 -7.490 532 HG21 ILE 68 HG21 ILE 68 0.631 1.837 -3.928 533 HG22 ILE 68 HG22 ILE 68 2.086 2.255 -4.832 534 HG23 ILE 68 HG23 ILE 68 1.777 0.578 -4.388 535 HD11 ILE 68 HD11 ILE 68 -2.015 3.589 -6.393 536 HD12 ILE 68 HD12 ILE 68 -1.709 2.560 -4.994 537 HD13 ILE 68 HD13 ILE 68 -2.111 1.836 -6.552 538 H THR 69 HN THR 69 3.781 -0.028 -6.334 539 HA THR 69 HA THR 69 3.007 -2.856 -6.419 540 HB THR 69 HB THR 69 5.675 -2.986 -6.254 541 HG1 THR 69 HG1 THR 69 6.090 -0.790 -6.305 542 HG21 THR 69 HG21 THR 69 5.706 -3.206 -8.721 543 HG22 THR 69 HG22 THR 69 4.086 -2.511 -8.775 544 HG23 THR 69 HG23 THR 69 4.353 -4.061 -7.979 545 H LEU 70 HN LEU 70 2.855 -3.908 -4.539 546 HA LEU 70 HA LEU 70 3.816 -2.580 -2.114 547 HB2 LEU 70 HB2 LEU 70 2.356 -4.064 -0.894 548 HB3 LEU 70 HB1 LEU 70 1.472 -3.296 -2.195 549 HG LEU 70 HG LEU 70 2.303 -5.639 -3.360 550 HD11 LEU 70 HD11 LEU 70 1.574 -6.193 -0.487 551 HD12 LEU 70 HD12 LEU 70 3.107 -6.558 -1.281 552 HD13 LEU 70 HD13 LEU 70 1.639 -7.404 -1.767 553 HD21 LEU 70 HD21 LEU 70 -0.126 -6.340 -2.754 554 HD22 LEU 70 HD22 LEU 70 0.146 -4.933 -3.780 555 HD23 LEU 70 HD23 LEU 70 -0.231 -4.720 -2.070 556 H GLU 71 HN GLU 71 4.795 -3.901 -0.403 557 HA GLU 71 HA GLU 71 6.276 -6.249 -1.338 558 HB2 GLU 71 HB2 GLU 71 7.488 -3.717 -0.251 559 HB3 GLU 71 HB1 GLU 71 8.316 -5.258 -0.097 560 HG2 GLU 71 HG2 GLU 71 8.157 -5.493 -2.583 561 HG3 GLU 71 HG1 GLU 71 7.554 -3.836 -2.633 562 H ILE 72 HN ILE 72 6.794 -7.727 0.267 563 HA ILE 72 HA ILE 72 5.847 -7.099 2.988 564 HB ILE 72 HB ILE 72 5.588 -9.866 1.839 565 HG12 ILE 72 HG12 ILE 72 3.018 -8.895 1.843 566 HG13 ILE 72 HG11 ILE 72 3.930 -7.515 1.238 567 HG21 ILE 72 HG21 ILE 72 4.197 -8.431 4.097 568 HG22 ILE 72 HG22 ILE 72 5.466 -9.646 4.251 569 HG23 ILE 72 HG23 ILE 72 3.890 -10.096 3.598 570 HD11 ILE 72 HD11 ILE 72 4.057 -10.291 0.080 571 HD12 ILE 72 HD12 ILE 72 4.815 -8.833 -0.565 572 HD13 ILE 72 HD13 ILE 72 3.057 -8.976 -0.542 573 H LYS 73 HN LYS 73 6.968 -8.095 4.698 574 HA LYS 73 HA LYS 73 9.507 -9.380 3.940 575 HB2 LYS 73 HB2 LYS 73 8.956 -7.280 6.019 576 HB3 LYS 73 HB1 LYS 73 10.365 -8.324 6.130 577 HG2 LYS 73 HG2 LYS 73 11.134 -7.536 3.958 578 HG3 LYS 73 HG1 LYS 73 9.714 -6.498 3.828 579 HD2 LYS 73 HD2 LYS 73 10.430 -5.293 5.847 580 HD3 LYS 73 HD1 LYS 73 11.865 -6.316 5.937 581 HE2 LYS 73 HE2 LYS 73 12.569 -4.319 4.896 582 HE3 LYS 73 HE1 LYS 73 12.418 -5.507 3.600 583 HZ1 LYS 73 HZ1 LYS 73 10.265 -4.574 3.039 584 HZ2 LYS 73 HZ2 LYS 73 11.460 -3.378 2.976 585 HZ3 LYS 73 HZ3 LYS 73 10.396 -3.443 4.290 586 H LYS 74 HN LYS 74 9.663 -11.396 4.647 587 HA LYS 74 HA LYS 74 8.447 -12.103 7.225 588 HB2 LYS 74 HB2 LYS 74 8.101 -13.542 4.604 589 HB3 LYS 74 HB1 LYS 74 7.874 -14.358 6.144 590 HG2 LYS 74 HG2 LYS 74 6.116 -12.775 6.735 591 HG3 LYS 74 HG1 LYS 74 6.349 -11.941 5.196 592 HD2 LYS 74 HD2 LYS 74 5.742 -14.004 4.005 593 HD3 LYS 74 HD1 LYS 74 5.473 -14.807 5.554 594 HE2 LYS 74 HE2 LYS 74 3.718 -13.183 6.085 595 HE3 LYS 74 HE1 LYS 74 3.987 -12.388 4.534 596 HZ1 LYS 74 HZ1 LYS 74 2.094 -13.888 4.448 597 HZ2 LYS 74 HZ2 LYS 74 3.073 -15.191 4.904 598 HZ3 LYS 74 HZ3 LYS 74 3.324 -14.425 3.416 599 H LYS 75 HN LYS 75 9.439 -13.847 8.326 600 HA LYS 75 HA LYS 75 12.047 -14.690 7.253 601 HB2 LYS 75 HB2 LYS 75 11.418 -13.595 9.986 602 HB3 LYS 75 HB1 LYS 75 12.824 -14.610 9.705 603 HG2 LYS 75 HG2 LYS 75 13.651 -12.999 8.057 604 HG3 LYS 75 HG1 LYS 75 12.245 -11.977 8.362 605 HD2 LYS 75 HD2 LYS 75 12.931 -11.751 10.707 606 HD3 LYS 75 HD1 LYS 75 14.345 -12.757 10.387 607 HE2 LYS 75 HE2 LYS 75 15.142 -11.107 8.760 608 HE3 LYS 75 HE1 LYS 75 13.732 -10.102 9.092 609 HZ1 LYS 75 HZ1 LYS 75 14.480 -9.871 11.377 610 HZ2 LYS 75 HZ2 LYS 75 15.673 -9.335 10.307 611 HZ3 LYS 75 HZ3 LYS 75 15.831 -10.842 11.060 612 H GLY 76 HN GLY 76 12.575 -16.807 7.558 613 HA2 GLY 76 HA2 GLY 76 11.880 -18.569 9.501 614 HA3 GLY 76 HA1 GLY 76 10.468 -18.565 8.455 615 H GLY 77 HN GLY 77 12.634 -20.591 9.115 616 HA2 GLY 77 HA2 GLY 77 12.689 -22.282 7.127 617 HA3 GLY 77 HA1 GLY 77 13.733 -21.051 6.434 618 H LEU 78 HN LEU 78 14.152 -23.902 7.328 619 HA LEU 78 HA LEU 78 16.245 -23.494 9.342 620 HB2 LEU 78 HB2 LEU 78 14.899 -25.993 8.320 621 HB3 LEU 78 HB1 LEU 78 16.279 -26.016 9.402 622 HG LEU 78 HG LEU 78 13.845 -24.479 10.203 623 HD11 LEU 78 HD11 LEU 78 12.957 -26.617 9.470 624 HD12 LEU 78 HD12 LEU 78 12.913 -26.500 11.229 625 HD13 LEU 78 HD13 LEU 78 14.160 -27.467 10.440 626 HD21 LEU 78 HD21 LEU 78 15.905 -26.081 11.718 627 HD22 LEU 78 HD22 LEU 78 14.580 -25.167 12.437 628 HD23 LEU 78 HD23 LEU 78 15.859 -24.325 11.566 629 H GLU 79 HN GLU 79 18.340 -23.624 8.850 630 HA GLU 79 HA GLU 79 19.059 -24.477 6.124 631 HB2 GLU 79 HB2 GLU 79 20.281 -22.408 7.944 632 HB3 GLU 79 HB1 GLU 79 21.122 -23.030 6.531 633 HG2 GLU 79 HG2 GLU 79 18.378 -21.867 6.288 634 HG3 GLU 79 HG1 GLU 79 19.804 -20.832 6.332 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -9.205 10.650 -12.473 2 H2 MET 1 HT2 MET 1 -10.891 10.545 -12.545 3 H3 MET 1 HT3 MET 1 -9.956 10.011 -13.849 4 HA MET 1 HA MET 1 -10.797 8.158 -12.563 5 HB2 MET 1 HB2 MET 1 -7.826 8.673 -12.512 6 HB3 MET 1 HB1 MET 1 -8.520 7.133 -12.022 7 HG2 MET 1 HG2 MET 1 -9.496 6.851 -14.232 8 HG3 MET 1 HG1 MET 1 -8.844 8.412 -14.728 9 HE1 MET 1 HE1 MET 1 -6.649 5.806 -16.721 10 HE2 MET 1 HE2 MET 1 -7.675 7.233 -16.864 11 HE3 MET 1 HE3 MET 1 -8.367 5.695 -16.345 12 H ASP 2 HN ASP 2 -10.794 6.969 -10.605 13 HA ASP 2 HA ASP 2 -9.977 8.444 -8.205 14 HB2 ASP 2 HB2 ASP 2 -12.729 7.356 -8.800 15 HB3 ASP 2 HB1 ASP 2 -12.186 7.694 -7.159 16 H THR 3 HN THR 3 -9.794 5.667 -9.939 17 HA THR 3 HA THR 3 -9.570 3.964 -7.552 18 HB THR 3 HB THR 3 -9.634 2.053 -9.250 19 HG1 THR 3 HG1 THR 3 -10.996 2.962 -11.154 20 HG21 THR 3 HG21 THR 3 -12.071 3.812 -8.925 21 HG22 THR 3 HG22 THR 3 -11.516 2.586 -7.785 22 HG23 THR 3 HG23 THR 3 -12.088 2.107 -9.382 23 H ILE 4 HN ILE 4 -7.800 2.547 -7.356 24 HA ILE 4 HA ILE 4 -5.461 3.201 -9.025 25 HB ILE 4 HB ILE 4 -4.088 2.856 -6.900 26 HG12 ILE 4 HG12 ILE 4 -6.357 3.839 -5.290 27 HG13 ILE 4 HG11 ILE 4 -6.490 2.161 -5.795 28 HG21 ILE 4 HG21 ILE 4 -5.864 5.270 -7.212 29 HG22 ILE 4 HG22 ILE 4 -4.273 5.016 -7.931 30 HG23 ILE 4 HG23 ILE 4 -4.432 5.209 -6.185 31 HD11 ILE 4 HD11 ILE 4 -4.338 1.675 -4.772 32 HD12 ILE 4 HD12 ILE 4 -5.465 2.359 -3.601 33 HD13 ILE 4 HD13 ILE 4 -4.184 3.362 -4.283 34 H ASN 5 HN ASN 5 -3.814 1.533 -9.081 35 HA ASN 5 HA ASN 5 -4.954 -1.131 -8.797 36 HB2 ASN 5 HB2 ASN 5 -2.803 0.101 -10.452 37 HB3 ASN 5 HB1 ASN 5 -2.848 -1.621 -10.222 38 HD21 ASN 5 HD21 ASN 5 -3.093 -0.266 -12.644 39 HD22 ASN 5 HD22 ASN 5 -4.647 -0.620 -13.277 40 H ILE 6 HN ILE 6 -3.712 -2.822 -7.941 41 HA ILE 6 HA ILE 6 -1.401 -2.089 -6.278 42 HB ILE 6 HB ILE 6 -3.720 -3.789 -5.322 43 HG12 ILE 6 HG12 ILE 6 -3.394 -1.726 -3.524 44 HG13 ILE 6 HG11 ILE 6 -3.108 -0.935 -5.071 45 HG21 ILE 6 HG21 ILE 6 -1.136 -3.024 -3.982 46 HG22 ILE 6 HG22 ILE 6 -1.690 -4.645 -4.401 47 HG23 ILE 6 HG23 ILE 6 -2.518 -3.728 -3.142 48 HD11 ILE 6 HD11 ILE 6 -5.546 -2.553 -4.369 49 HD12 ILE 6 HD12 ILE 6 -5.265 -1.679 -5.875 50 HD13 ILE 6 HD13 ILE 6 -5.443 -0.792 -4.361 51 H THR 7 HN THR 7 0.240 -3.274 -7.021 52 HA THR 7 HA THR 7 -0.306 -5.859 -8.278 53 HB THR 7 HB THR 7 2.439 -4.699 -8.231 54 HG1 THR 7 HG1 THR 7 0.238 -3.707 -9.737 55 HG21 THR 7 HG21 THR 7 2.506 -5.667 -10.479 56 HG22 THR 7 HG22 THR 7 0.804 -6.109 -10.342 57 HG23 THR 7 HG23 THR 7 2.000 -6.867 -9.290 58 H LEU 8 HN LEU 8 -0.005 -7.686 -7.212 59 HA LEU 8 HA LEU 8 1.529 -7.677 -4.739 60 HB2 LEU 8 HB2 LEU 8 -0.839 -8.918 -5.714 61 HB3 LEU 8 HB1 LEU 8 0.315 -10.166 -5.366 62 HG LEU 8 HG LEU 8 0.479 -8.635 -3.104 63 HD11 LEU 8 HD11 LEU 8 -1.686 -7.986 -2.411 64 HD12 LEU 8 HD12 LEU 8 -2.441 -8.738 -3.815 65 HD13 LEU 8 HD13 LEU 8 -1.448 -7.294 -4.016 66 HD21 LEU 8 HD21 LEU 8 0.332 -11.059 -3.175 67 HD22 LEU 8 HD22 LEU 8 -1.366 -10.959 -3.645 68 HD23 LEU 8 HD23 LEU 8 -0.857 -10.401 -2.051 69 HA PRO 9 HA PRO 9 4.830 -10.093 -6.510 70 HB2 PRO 9 HB2 PRO 9 5.480 -11.827 -4.544 71 HB3 PRO 9 HB1 PRO 9 5.794 -10.090 -4.403 72 HG2 PRO 9 HG2 PRO 9 3.535 -11.680 -3.259 73 HG3 PRO 9 HG1 PRO 9 4.524 -10.420 -2.493 74 HD2 PRO 9 HD2 PRO 9 2.062 -9.918 -3.487 75 HD3 PRO 9 HD1 PRO 9 3.358 -8.706 -3.482 76 H ASP 10 HN ASP 10 1.814 -11.407 -5.949 77 HA ASP 10 HA ASP 10 2.498 -14.123 -6.760 78 HB2 ASP 10 HB2 ASP 10 -0.073 -12.785 -5.934 79 HB3 ASP 10 HB1 ASP 10 -0.041 -14.419 -6.591 80 H GLY 11 HN GLY 11 1.566 -11.162 -8.163 81 HA2 GLY 11 HA2 GLY 11 1.722 -10.835 -10.520 82 HA3 GLY 11 HA1 GLY 11 1.247 -12.508 -10.753 83 H LYS 12 HN LYS 12 -0.724 -11.152 -8.416 84 HA LYS 12 HA LYS 12 -2.817 -10.693 -10.427 85 HB2 LYS 12 HB2 LYS 12 -4.395 -11.004 -8.476 86 HB3 LYS 12 HB1 LYS 12 -3.480 -12.427 -8.951 87 HG2 LYS 12 HG2 LYS 12 -1.922 -12.033 -7.103 88 HG3 LYS 12 HG1 LYS 12 -2.866 -10.623 -6.619 89 HD2 LYS 12 HD2 LYS 12 -4.828 -12.081 -6.297 90 HD3 LYS 12 HD1 LYS 12 -3.835 -13.479 -6.717 91 HE2 LYS 12 HE2 LYS 12 -3.831 -13.477 -4.387 92 HE3 LYS 12 HE1 LYS 12 -2.301 -12.711 -4.810 93 HZ1 LYS 12 HZ1 LYS 12 -3.448 -11.522 -3.043 94 HZ2 LYS 12 HZ2 LYS 12 -4.788 -11.278 -4.044 95 HZ3 LYS 12 HZ3 LYS 12 -3.307 -10.554 -4.422 96 H THR 13 HN THR 13 -4.139 -8.890 -10.339 97 HA THR 13 HA THR 13 -3.021 -6.643 -8.804 98 HB THR 13 HB THR 13 -4.229 -5.234 -10.571 99 HG1 THR 13 HG1 THR 13 -4.114 -7.682 -12.026 100 HG21 THR 13 HG21 THR 13 -1.936 -7.012 -11.419 101 HG22 THR 13 HG22 THR 13 -1.796 -5.508 -10.506 102 HG23 THR 13 HG23 THR 13 -2.381 -5.478 -12.170 103 H LEU 14 HN LEU 14 -4.480 -5.032 -8.010 104 HA LEU 14 HA LEU 14 -7.272 -5.858 -7.688 105 HB2 LEU 14 HB2 LEU 14 -5.616 -6.436 -5.708 106 HB3 LEU 14 HB1 LEU 14 -5.828 -4.737 -5.328 107 HG LEU 14 HG LEU 14 -8.320 -6.268 -5.757 108 HD11 LEU 14 HD11 LEU 14 -7.041 -7.931 -4.555 109 HD12 LEU 14 HD12 LEU 14 -8.248 -7.215 -3.487 110 HD13 LEU 14 HD13 LEU 14 -6.558 -6.730 -3.358 111 HD21 LEU 14 HD21 LEU 14 -7.398 -4.305 -3.657 112 HD22 LEU 14 HD22 LEU 14 -9.037 -4.931 -3.833 113 HD23 LEU 14 HD23 LEU 14 -8.340 -3.921 -5.099 114 H THR 15 HN THR 15 -8.718 -4.123 -7.272 115 HA THR 15 HA THR 15 -7.555 -1.463 -7.784 116 HB THR 15 HB THR 15 -10.377 -1.605 -8.416 117 HG1 THR 15 HG1 THR 15 -9.434 -3.842 -8.920 118 HG21 THR 15 HG21 THR 15 -9.697 -0.488 -10.393 119 HG22 THR 15 HG22 THR 15 -8.052 -1.113 -10.265 120 HG23 THR 15 HG23 THR 15 -8.626 0.093 -9.116 121 H LEU 16 HN LEU 16 -7.824 0.017 -6.254 122 HA LEU 16 HA LEU 16 -10.073 -0.292 -4.371 123 HB2 LEU 16 HB2 LEU 16 -7.749 -0.962 -3.494 124 HB3 LEU 16 HB1 LEU 16 -7.375 0.749 -3.542 125 HG LEU 16 HG LEU 16 -9.544 0.963 -2.070 126 HD11 LEU 16 HD11 LEU 16 -9.813 -0.961 -0.561 127 HD12 LEU 16 HD12 LEU 16 -8.699 -1.886 -1.570 128 HD13 LEU 16 HD13 LEU 16 -10.243 -1.349 -2.230 129 HD21 LEU 16 HD21 LEU 16 -6.932 -0.093 -0.999 130 HD22 LEU 16 HD22 LEU 16 -8.157 0.770 -0.069 131 HD23 LEU 16 HD23 LEU 16 -7.296 1.591 -1.372 132 H THR 17 HN THR 17 -10.548 1.785 -3.189 133 HA THR 17 HA THR 17 -10.377 4.007 -5.085 134 HB THR 17 HB THR 17 -12.066 4.203 -2.641 135 HG1 THR 17 HG1 THR 17 -13.377 2.631 -3.225 136 HG21 THR 17 HG21 THR 17 -12.477 4.961 -5.534 137 HG22 THR 17 HG22 THR 17 -11.961 6.044 -4.244 138 HG23 THR 17 HG23 THR 17 -13.578 5.340 -4.210 139 H VAL 18 HN VAL 18 -9.570 6.029 -4.520 140 HA VAL 18 HA VAL 18 -8.223 6.181 -1.897 141 HB VAL 18 HB VAL 18 -6.590 7.757 -3.191 142 HG11 VAL 18 HG11 VAL 18 -5.696 5.868 -2.156 143 HG12 VAL 18 HG12 VAL 18 -5.226 5.695 -3.847 144 HG13 VAL 18 HG13 VAL 18 -6.578 4.762 -3.207 145 HG21 VAL 18 HG21 VAL 18 -7.769 7.771 -5.302 146 HG22 VAL 18 HG22 VAL 18 -7.637 6.016 -5.417 147 HG23 VAL 18 HG23 VAL 18 -6.188 7.018 -5.505 148 H THR 19 HN THR 19 -8.100 8.182 -0.904 149 HA THR 19 HA THR 19 -9.510 10.428 -2.143 150 HB THR 19 HB THR 19 -10.562 10.896 0.152 151 HG1 THR 19 HG1 THR 19 -10.911 8.976 1.402 152 HG21 THR 19 HG21 THR 19 -12.500 9.462 -0.304 153 HG22 THR 19 HG22 THR 19 -11.527 8.508 -1.424 154 HG23 THR 19 HG23 THR 19 -11.881 10.198 -1.783 155 HA PRO 20 HA PRO 20 -6.209 12.780 -0.381 156 HB2 PRO 20 HB2 PRO 20 -7.932 15.065 0.140 157 HB3 PRO 20 HB1 PRO 20 -6.706 14.865 -1.116 158 HG2 PRO 20 HG2 PRO 20 -9.361 14.974 -1.661 159 HG3 PRO 20 HG1 PRO 20 -8.195 14.083 -2.656 160 HD2 PRO 20 HD2 PRO 20 -10.107 13.049 -0.611 161 HD3 PRO 20 HD1 PRO 20 -9.642 12.360 -2.179 162 H GLU 21 HN GLU 21 -8.908 11.943 1.471 163 HA GLU 21 HA GLU 21 -7.874 13.224 3.889 164 HB2 GLU 21 HB2 GLU 21 -10.399 13.103 3.058 165 HB3 GLU 21 HB1 GLU 21 -10.351 11.580 3.935 166 HG2 GLU 21 HG2 GLU 21 -9.667 12.749 5.954 167 HG3 GLU 21 HG1 GLU 21 -9.658 14.277 5.077 168 H PHE 22 HN PHE 22 -7.777 10.241 2.268 169 HA PHE 22 HA PHE 22 -7.526 8.612 4.634 170 HB2 PHE 22 HB2 PHE 22 -7.854 8.162 1.812 171 HB3 PHE 22 HB1 PHE 22 -6.483 7.254 2.396 172 HD1 PHE 22 HD1 PHE 22 -10.042 7.954 3.202 173 HD2 PHE 22 HD2 PHE 22 -6.817 5.183 3.350 174 HE1 PHE 22 HE1 PHE 22 -11.567 6.235 4.082 175 HE2 PHE 22 HE2 PHE 22 -8.334 3.461 4.231 176 HZ PHE 22 HZ PHE 22 -10.712 3.984 4.598 177 H THR 23 HN THR 23 -5.655 7.835 5.509 178 HA THR 23 HA THR 23 -3.195 9.166 4.665 179 HB THR 23 HB THR 23 -2.271 8.058 6.785 180 HG1 THR 23 HG1 THR 23 -3.700 7.158 8.172 181 HG21 THR 23 HG21 THR 23 -3.424 9.728 8.275 182 HG22 THR 23 HG22 THR 23 -4.465 10.121 6.908 183 HG23 THR 23 HG23 THR 23 -2.728 10.398 6.800 184 H VAL 24 HN VAL 24 -1.154 7.699 4.885 185 HA VAL 24 HA VAL 24 -1.424 5.584 3.013 186 HB VAL 24 HB VAL 24 0.922 6.073 4.856 187 HG11 VAL 24 HG11 VAL 24 2.227 4.989 3.093 188 HG12 VAL 24 HG12 VAL 24 0.754 4.730 2.157 189 HG13 VAL 24 HG13 VAL 24 0.969 3.916 3.707 190 HG21 VAL 24 HG21 VAL 24 1.856 7.432 3.035 191 HG22 VAL 24 HG22 VAL 24 0.367 8.124 3.679 192 HG23 VAL 24 HG23 VAL 24 0.346 7.258 2.143 193 H LYS 25 HN LYS 25 -1.337 5.759 6.495 194 HA LYS 25 HA LYS 25 -0.996 2.975 6.991 195 HB2 LYS 25 HB2 LYS 25 -0.673 5.071 8.540 196 HB3 LYS 25 HB1 LYS 25 -2.369 4.804 8.915 197 HG2 LYS 25 HG2 LYS 25 -1.868 2.550 9.668 198 HG3 LYS 25 HG1 LYS 25 -0.168 2.779 9.250 199 HD2 LYS 25 HD2 LYS 25 -0.009 4.593 10.880 200 HD3 LYS 25 HD1 LYS 25 -1.712 4.377 11.291 201 HE2 LYS 25 HE2 LYS 25 -1.239 2.098 12.039 202 HE3 LYS 25 HE1 LYS 25 0.462 2.315 11.628 203 HZ1 LYS 25 HZ1 LYS 25 0.595 4.083 13.268 204 HZ2 LYS 25 HZ2 LYS 25 0.075 2.644 13.987 205 HZ3 LYS 25 HZ3 LYS 25 -1.038 3.875 13.663 206 H GLU 26 HN GLU 26 -3.786 5.116 6.696 207 HA GLU 26 HA GLU 26 -5.704 3.153 7.460 208 HB2 GLU 26 HB2 GLU 26 -5.768 5.852 7.184 209 HB3 GLU 26 HB1 GLU 26 -6.612 5.349 5.724 210 HG2 GLU 26 HG2 GLU 26 -8.297 4.260 6.947 211 HG3 GLU 26 HG1 GLU 26 -7.359 4.312 8.439 212 H LEU 27 HN LEU 27 -4.620 4.430 4.306 213 HA LEU 27 HA LEU 27 -6.320 2.840 2.750 214 HB2 LEU 27 HB2 LEU 27 -4.914 4.823 2.028 215 HB3 LEU 27 HB1 LEU 27 -3.557 3.717 1.956 216 HG LEU 27 HG LEU 27 -5.133 2.331 0.383 217 HD11 LEU 27 HD11 LEU 27 -7.118 3.666 0.730 218 HD12 LEU 27 HD12 LEU 27 -6.602 3.778 -0.952 219 HD13 LEU 27 HD13 LEU 27 -6.279 5.108 0.160 220 HD21 LEU 27 HD21 LEU 27 -3.020 3.298 -0.320 221 HD22 LEU 27 HD22 LEU 27 -3.780 4.880 -0.492 222 HD23 LEU 27 HD23 LEU 27 -4.254 3.555 -1.554 223 H ALA 28 HN ALA 28 -3.269 2.153 4.313 224 HA ALA 28 HA ALA 28 -2.720 -0.270 2.920 225 HB1 ALA 28 HB1 ALA 28 -1.680 0.703 5.570 226 HB2 ALA 28 HB2 ALA 28 -0.945 0.989 3.993 227 HB3 ALA 28 HB3 ALA 28 -1.030 -0.649 4.646 228 H GLU 29 HN GLU 29 -4.448 0.491 5.927 229 HA GLU 29 HA GLU 29 -4.702 -2.218 6.769 230 HB2 GLU 29 HB2 GLU 29 -6.149 -1.430 8.475 231 HB3 GLU 29 HB1 GLU 29 -4.938 -0.180 8.251 232 HG2 GLU 29 HG2 GLU 29 -6.659 1.230 8.174 233 HG3 GLU 29 HG1 GLU 29 -6.910 0.618 6.540 234 H GLU 30 HN GLU 30 -6.459 -0.220 4.541 235 HA GLU 30 HA GLU 30 -8.882 -1.686 4.489 236 HB2 GLU 30 HB2 GLU 30 -7.798 0.582 3.183 237 HB3 GLU 30 HB1 GLU 30 -8.298 -0.535 1.924 238 HG2 GLU 30 HG2 GLU 30 -10.517 -0.673 3.193 239 HG3 GLU 30 HG1 GLU 30 -9.966 0.776 4.036 240 H ILE 31 HN ILE 31 -6.059 -1.718 2.320 241 HA ILE 31 HA ILE 31 -6.956 -3.930 0.788 242 HB ILE 31 HB ILE 31 -5.324 -2.253 -0.048 243 HG12 ILE 31 HG12 ILE 31 -3.642 -4.110 -0.907 244 HG13 ILE 31 HG11 ILE 31 -4.813 -5.190 -0.156 245 HG21 ILE 31 HG21 ILE 31 -2.993 -2.366 0.573 246 HG22 ILE 31 HG22 ILE 31 -3.328 -3.683 1.696 247 HG23 ILE 31 HG23 ILE 31 -3.975 -2.073 2.008 248 HD11 ILE 31 HD11 ILE 31 -5.456 -3.134 -2.250 249 HD12 ILE 31 HD12 ILE 31 -6.569 -4.307 -1.546 250 HD13 ILE 31 HD13 ILE 31 -5.224 -4.854 -2.547 251 H ALA 32 HN ALA 32 -5.005 -3.645 3.686 252 HA ALA 32 HA ALA 32 -3.936 -6.274 3.660 253 HB1 ALA 32 HB1 ALA 32 -2.937 -4.432 4.939 254 HB2 ALA 32 HB2 ALA 32 -3.266 -5.843 5.945 255 HB3 ALA 32 HB3 ALA 32 -4.334 -4.440 6.014 256 H ARG 33 HN ARG 33 -6.966 -4.946 4.738 257 HA ARG 33 HA ARG 33 -7.713 -7.049 6.482 258 HB2 ARG 33 HB2 ARG 33 -8.691 -4.616 6.040 259 HB3 ARG 33 HB1 ARG 33 -9.795 -5.525 5.016 260 HG2 ARG 33 HG2 ARG 33 -10.448 -6.901 6.909 261 HG3 ARG 33 HG1 ARG 33 -9.307 -6.038 7.941 262 HD2 ARG 33 HD2 ARG 33 -10.527 -3.961 7.562 263 HD3 ARG 33 HD1 ARG 33 -11.664 -4.815 6.519 264 HE ARG 33 HE ARG 33 -11.658 -6.130 8.958 265 HH11 ARG 33 HH12 ARG 33 -12.479 -2.973 7.726 266 HH12 ARG 33 HH11 ARG 33 -13.697 -2.684 8.921 267 HH21 ARG 33 HH21 ARG 33 -13.253 -5.757 10.532 268 HH22 ARG 33 HH22 ARG 33 -14.138 -4.268 10.518 269 H ARG 34 HN ARG 34 -8.029 -6.597 3.016 270 HA ARG 34 HA ARG 34 -9.896 -8.748 2.659 271 HB2 ARG 34 HB2 ARG 34 -8.374 -6.932 0.842 272 HB3 ARG 34 HB1 ARG 34 -9.073 -8.403 0.178 273 HG2 ARG 34 HG2 ARG 34 -10.753 -6.886 -0.200 274 HG3 ARG 34 HG1 ARG 34 -11.247 -7.576 1.347 275 HD2 ARG 34 HD2 ARG 34 -10.240 -5.691 2.520 276 HD3 ARG 34 HD1 ARG 34 -9.703 -5.010 0.985 277 HE ARG 34 HE ARG 34 -12.369 -5.214 0.643 278 HH11 ARG 34 HH12 ARG 34 -10.404 -3.853 3.180 279 HH12 ARG 34 HH11 ARG 34 -11.563 -2.638 3.607 280 HH21 ARG 34 HH22 ARG 34 -13.897 -3.591 1.181 281 HH22 ARG 34 HH21 ARG 34 -13.546 -2.490 2.470 282 H LEU 35 HN LEU 35 -6.418 -8.446 2.671 283 HA LEU 35 HA LEU 35 -6.141 -11.137 1.559 284 HB2 LEU 35 HB2 LEU 35 -4.248 -8.862 1.978 285 HB3 LEU 35 HB1 LEU 35 -3.628 -10.489 1.769 286 HG LEU 35 HG LEU 35 -5.216 -10.421 -0.371 287 HD11 LEU 35 HD11 LEU 35 -5.126 -8.206 -1.423 288 HD12 LEU 35 HD12 LEU 35 -4.458 -7.536 0.065 289 HD13 LEU 35 HD13 LEU 35 -6.094 -8.197 0.052 290 HD21 LEU 35 HD21 LEU 35 -3.245 -9.688 -1.676 291 HD22 LEU 35 HD22 LEU 35 -2.856 -10.898 -0.453 292 HD23 LEU 35 HD23 LEU 35 -2.468 -9.201 -0.168 293 H GLY 36 HN GLY 36 -6.096 -9.519 4.571 294 HA2 GLY 36 HA2 GLY 36 -6.063 -10.510 6.675 295 HA3 GLY 36 HA1 GLY 36 -5.565 -12.022 5.928 296 H LEU 37 HN LEU 37 -4.096 -8.770 5.916 297 HA LEU 37 HA LEU 37 -1.755 -9.903 7.284 298 HB2 LEU 37 HB2 LEU 37 -1.527 -7.961 5.001 299 HB3 LEU 37 HB1 LEU 37 -0.232 -8.805 5.819 300 HG LEU 37 HG LEU 37 -2.312 -10.402 4.388 301 HD11 LEU 37 HD11 LEU 37 -1.691 -8.727 2.756 302 HD12 LEU 37 HD12 LEU 37 -0.976 -10.282 2.331 303 HD13 LEU 37 HD13 LEU 37 0.020 -9.024 3.064 304 HD21 LEU 37 HD21 LEU 37 -0.659 -11.541 5.765 305 HD22 LEU 37 HD22 LEU 37 0.644 -10.766 4.867 306 HD23 LEU 37 HD23 LEU 37 -0.419 -11.919 4.060 307 H SER 38 HN SER 38 -0.167 -7.950 7.727 308 HA SER 38 HA SER 38 -1.775 -5.933 9.140 309 HB2 SER 38 HB2 SER 38 -0.294 -7.503 10.486 310 HB3 SER 38 HB1 SER 38 1.088 -6.697 9.745 311 HG SER 38 HG SER 38 0.215 -5.913 11.882 312 HA PRO 39 HA PRO 39 -0.181 -2.785 6.455 313 HB2 PRO 39 HB2 PRO 39 -0.317 -0.911 8.711 314 HB3 PRO 39 HB1 PRO 39 -1.227 -0.913 7.196 315 HG2 PRO 39 HG2 PRO 39 -2.377 -1.515 9.552 316 HG3 PRO 39 HG1 PRO 39 -2.894 -2.244 8.022 317 HD2 PRO 39 HD2 PRO 39 -1.228 -3.407 10.197 318 HD3 PRO 39 HD1 PRO 39 -2.454 -4.175 9.173 319 H GLU 40 HN GLU 40 1.308 -3.397 9.555 320 HA GLU 40 HA GLU 40 3.558 -1.669 9.170 321 HB2 GLU 40 HB2 GLU 40 2.917 -3.872 11.113 322 HB3 GLU 40 HB1 GLU 40 4.486 -3.080 11.108 323 HG2 GLU 40 HG2 GLU 40 3.404 -0.930 11.514 324 HG3 GLU 40 HG1 GLU 40 1.828 -1.721 11.508 325 H ASP 41 HN ASP 41 2.718 -4.739 7.977 326 HA ASP 41 HA ASP 41 5.495 -5.547 7.526 327 HB2 ASP 41 HB2 ASP 41 2.867 -6.981 7.148 328 HB3 ASP 41 HB1 ASP 41 4.400 -7.643 6.590 329 H ILE 42 HN ILE 42 2.663 -4.428 5.800 330 HA ILE 42 HA ILE 42 3.925 -4.890 3.216 331 HB ILE 42 HB ILE 42 1.382 -3.376 3.385 332 HG12 ILE 42 HG12 ILE 42 1.396 -6.370 3.766 333 HG13 ILE 42 HG11 ILE 42 1.245 -5.247 5.110 334 HG21 ILE 42 HG21 ILE 42 2.366 -5.621 1.634 335 HG22 ILE 42 HG22 ILE 42 2.388 -3.902 1.243 336 HG23 ILE 42 HG23 ILE 42 0.849 -4.743 1.425 337 HD11 ILE 42 HD11 ILE 42 -0.761 -4.288 3.916 338 HD12 ILE 42 HD12 ILE 42 -0.938 -5.915 4.570 339 HD13 ILE 42 HD13 ILE 42 -0.668 -5.684 2.843 340 H LYS 43 HN LYS 43 5.092 -3.419 2.204 341 HA LYS 43 HA LYS 43 4.817 -0.611 3.036 342 HB2 LYS 43 HB2 LYS 43 7.083 -2.120 3.146 343 HB3 LYS 43 HB1 LYS 43 7.250 -1.372 1.563 344 HG2 LYS 43 HG2 LYS 43 7.120 0.819 2.510 345 HG3 LYS 43 HG1 LYS 43 6.722 0.159 4.098 346 HD2 LYS 43 HD2 LYS 43 8.949 -0.997 4.070 347 HD3 LYS 43 HD1 LYS 43 9.329 -0.088 2.602 348 HE2 LYS 43 HE2 LYS 43 8.976 2.010 3.830 349 HE3 LYS 43 HE1 LYS 43 8.635 1.087 5.293 350 HZ1 LYS 43 HZ1 LYS 43 10.877 0.197 5.212 351 HZ2 LYS 43 HZ2 LYS 43 10.915 1.887 5.254 352 HZ3 LYS 43 HZ3 LYS 43 11.203 1.073 3.800 353 H LEU 44 HN LEU 44 4.278 0.861 1.562 354 HA LEU 44 HA LEU 44 3.724 -0.059 -1.140 355 HB2 LEU 44 HB2 LEU 44 3.031 2.478 0.333 356 HB3 LEU 44 HB1 LEU 44 2.642 2.209 -1.355 357 HG LEU 44 HG LEU 44 1.517 0.008 -0.314 358 HD11 LEU 44 HD11 LEU 44 2.135 0.528 1.976 359 HD12 LEU 44 HD12 LEU 44 0.384 0.589 1.777 360 HD13 LEU 44 HD13 LEU 44 1.313 2.085 1.862 361 HD21 LEU 44 HD21 LEU 44 0.285 2.758 -0.419 362 HD22 LEU 44 HD22 LEU 44 -0.612 1.242 -0.343 363 HD23 LEU 44 HD23 LEU 44 0.393 1.601 -1.746 364 H THR 45 HN THR 45 5.032 0.326 -2.797 365 HA THR 45 HA THR 45 7.036 2.467 -2.511 366 HB THR 45 HB THR 45 7.580 0.178 -4.328 367 HG1 THR 45 HG1 THR 45 8.186 -1.156 -2.666 368 HG21 THR 45 HG21 THR 45 9.284 1.825 -2.457 369 HG22 THR 45 HG22 THR 45 9.140 2.045 -4.201 370 HG23 THR 45 HG23 THR 45 9.884 0.582 -3.557 371 H HIS 46 HN HIS 46 7.024 4.008 -3.983 372 HA HIS 46 HA HIS 46 5.793 3.494 -6.604 373 HB2 HIS 46 HB2 HIS 46 4.486 4.938 -4.771 374 HB3 HIS 46 HB1 HIS 46 5.521 6.209 -5.411 375 HD1 HIS 46 HD1 HIS 46 4.390 7.498 -7.171 376 HD2 HIS 46 HD2 HIS 46 3.177 3.522 -7.174 377 HE1 HIS 46 HE1 HIS 46 2.732 7.304 -9.051 378 HE2 HIS 46 HE2 HIS 46 2.010 4.889 -9.036 379 H ASN 47 HN ASN 47 7.280 3.728 -8.112 380 HA ASN 47 HA ASN 47 8.999 4.509 -9.369 381 HB2 ASN 47 HB2 ASN 47 8.527 6.983 -7.704 382 HB3 ASN 47 HB1 ASN 47 9.711 6.921 -9.007 383 HD21 ASN 47 HD21 ASN 47 6.427 7.221 -8.162 384 HD22 ASN 47 HD22 ASN 47 5.793 7.382 -9.755 385 H GLY 48 HN GLY 48 9.440 3.149 -6.750 386 HA2 GLY 48 HA2 GLY 48 11.482 2.275 -5.957 387 HA3 GLY 48 HA1 GLY 48 12.308 3.676 -6.622 388 H LYS 49 HN LYS 49 9.831 5.083 -5.132 389 HA LYS 49 HA LYS 49 11.371 5.433 -2.652 390 HB2 LYS 49 HB2 LYS 49 9.338 7.169 -4.041 391 HB3 LYS 49 HB1 LYS 49 9.863 7.480 -2.392 392 HG2 LYS 49 HG2 LYS 49 12.165 7.729 -3.169 393 HG3 LYS 49 HG1 LYS 49 11.641 7.413 -4.825 394 HD2 LYS 49 HD2 LYS 49 10.197 9.394 -4.737 395 HD3 LYS 49 HD1 LYS 49 10.737 9.710 -3.087 396 HE2 LYS 49 HE2 LYS 49 13.033 9.976 -3.891 397 HE3 LYS 49 HE1 LYS 49 12.493 9.653 -5.539 398 HZ1 LYS 49 HZ1 LYS 49 11.624 11.941 -3.854 399 HZ2 LYS 49 HZ2 LYS 49 11.112 11.633 -5.437 400 HZ3 LYS 49 HZ3 LYS 49 12.730 12.020 -5.133 401 H THR 50 HN THR 50 10.514 5.063 -0.679 402 HA THR 50 HA THR 50 8.037 3.544 -0.607 403 HB THR 50 HB THR 50 8.746 3.280 1.875 404 HG1 THR 50 HG1 THR 50 10.506 5.027 1.232 405 HG21 THR 50 HG21 THR 50 10.390 2.128 -0.384 406 HG22 THR 50 HG22 THR 50 8.893 1.464 0.275 407 HG23 THR 50 HG23 THR 50 10.354 1.497 1.263 408 H LEU 51 HN LEU 51 6.337 3.982 0.816 409 HA LEU 51 HA LEU 51 6.015 6.835 1.427 410 HB2 LEU 51 HB2 LEU 51 4.019 4.612 1.056 411 HB3 LEU 51 HB1 LEU 51 3.579 6.221 1.597 412 HG LEU 51 HG LEU 51 5.081 5.898 -0.969 413 HD11 LEU 51 HD11 LEU 51 3.276 4.309 -1.182 414 HD12 LEU 51 HD12 LEU 51 2.931 5.736 -2.158 415 HD13 LEU 51 HD13 LEU 51 2.115 5.507 -0.611 416 HD21 LEU 51 HD21 LEU 51 4.709 8.127 0.002 417 HD22 LEU 51 HD22 LEU 51 2.969 7.843 -0.051 418 HD23 LEU 51 HD23 LEU 51 3.898 7.927 -1.549 419 H ASP 52 HN ASP 52 5.646 7.570 3.456 420 HA ASP 52 HA ASP 52 6.059 5.699 5.625 421 HB2 ASP 52 HB2 ASP 52 6.397 8.571 5.210 422 HB3 ASP 52 HB1 ASP 52 5.708 8.175 6.780 423 HA PRO 53 HA PRO 53 1.726 5.252 6.535 424 HB2 PRO 53 HB2 PRO 53 2.565 4.491 9.242 425 HB3 PRO 53 HB1 PRO 53 1.742 3.527 8.009 426 HG2 PRO 53 HG2 PRO 53 4.300 3.073 8.694 427 HG3 PRO 53 HG1 PRO 53 3.693 2.814 7.048 428 HD2 PRO 53 HD2 PRO 53 5.313 5.070 8.130 429 HD3 PRO 53 HD1 PRO 53 5.415 4.251 6.559 430 H SER 54 HN SER 54 3.876 7.198 8.463 431 HA SER 54 HA SER 54 1.828 8.265 10.170 432 HB2 SER 54 HB2 SER 54 4.671 9.166 9.682 433 HB3 SER 54 HB1 SER 54 3.618 9.792 10.951 434 HG SER 54 HG SER 54 4.381 8.193 12.078 435 H LEU 55 HN LEU 55 3.178 9.146 7.069 436 HA LEU 55 HA LEU 55 2.117 11.820 7.219 437 HB2 LEU 55 HB2 LEU 55 3.815 10.280 5.336 438 HB3 LEU 55 HB1 LEU 55 2.998 11.694 4.771 439 HG LEU 55 HG LEU 55 4.638 11.901 7.249 440 HD11 LEU 55 HD11 LEU 55 5.725 11.828 4.442 441 HD12 LEU 55 HD12 LEU 55 6.165 10.784 5.794 442 HD13 LEU 55 HD13 LEU 55 6.597 12.493 5.822 443 HD21 LEU 55 HD21 LEU 55 3.274 13.794 6.556 444 HD22 LEU 55 HD22 LEU 55 4.058 13.796 4.977 445 HD23 LEU 55 HD23 LEU 55 4.990 14.176 6.425 446 H THR 56 HN THR 56 1.258 12.367 4.795 447 HA THR 56 HA THR 56 -1.162 10.714 4.528 448 HB THR 56 HB THR 56 -2.225 12.733 3.518 449 HG1 THR 56 HG1 THR 56 -0.198 14.342 4.594 450 HG21 THR 56 HG21 THR 56 -2.317 14.050 5.682 451 HG22 THR 56 HG22 THR 56 -1.142 12.902 6.322 452 HG23 THR 56 HG23 THR 56 -2.730 12.340 5.798 453 H LEU 57 HN LEU 57 -2.109 10.585 2.360 454 HA LEU 57 HA LEU 57 -0.145 9.804 0.443 455 HB2 LEU 57 HB2 LEU 57 -3.148 9.974 0.351 456 HB3 LEU 57 HB1 LEU 57 -2.187 9.398 -0.999 457 HG LEU 57 HG LEU 57 -1.839 8.113 1.677 458 HD11 LEU 57 HD11 LEU 57 -4.251 8.171 1.377 459 HD12 LEU 57 HD12 LEU 57 -3.630 6.534 1.175 460 HD13 LEU 57 HD13 LEU 57 -4.079 7.486 -0.240 461 HD21 LEU 57 HD21 LEU 57 -1.746 7.046 -1.140 462 HD22 LEU 57 HD22 LEU 57 -1.329 6.165 0.329 463 HD23 LEU 57 HD23 LEU 57 -0.348 7.538 -0.184 464 H ALA 58 HN ALA 58 -2.184 12.613 0.879 465 HA ALA 58 HA ALA 58 -1.718 13.656 -1.758 466 HB1 ALA 58 HB1 ALA 58 -2.962 15.596 -1.005 467 HB2 ALA 58 HB2 ALA 58 -2.877 15.022 0.661 468 HB3 ALA 58 HB3 ALA 58 -3.794 14.111 -0.538 469 H GLU 59 HN GLU 59 0.181 13.558 1.020 470 HA GLU 59 HA GLU 59 1.434 16.146 0.678 471 HB2 GLU 59 HB2 GLU 59 1.154 14.639 2.858 472 HB3 GLU 59 HB1 GLU 59 2.702 14.006 2.316 473 HG2 GLU 59 HG2 GLU 59 3.315 15.699 3.762 474 HG3 GLU 59 HG1 GLU 59 3.417 16.479 2.183 475 H TYR 60 HN TYR 60 1.849 12.926 -0.450 476 HA TYR 60 HA TYR 60 4.595 13.355 -1.268 477 HB2 TYR 60 HB2 TYR 60 2.729 11.042 -1.124 478 HB3 TYR 60 HB1 TYR 60 4.054 10.963 -2.270 479 HD1 TYR 60 HD2 TYR 60 6.377 10.892 -1.488 480 HD2 TYR 60 HD1 TYR 60 3.126 10.981 1.259 481 HE1 TYR 60 HE2 TYR 60 7.891 10.203 0.324 482 HE2 TYR 60 HE1 TYR 60 4.632 10.291 3.075 483 HH TYR 60 HH TYR 60 6.767 9.172 3.373 484 H GLY 61 HN GLY 61 1.435 13.652 -2.581 485 HA2 GLY 61 HA2 GLY 61 0.893 14.658 -4.619 486 HA3 GLY 61 HA1 GLY 61 2.565 14.473 -5.126 487 H ILE 62 HN ILE 62 0.215 12.038 -4.003 488 HA ILE 62 HA ILE 62 0.800 10.497 -6.425 489 HB ILE 62 HB ILE 62 -0.827 9.541 -4.080 490 HG12 ILE 62 HG12 ILE 62 2.007 8.708 -4.324 491 HG13 ILE 62 HG11 ILE 62 1.728 10.355 -3.762 492 HG21 ILE 62 HG21 ILE 62 -1.015 8.252 -6.146 493 HG22 ILE 62 HG22 ILE 62 -0.185 7.330 -4.892 494 HG23 ILE 62 HG23 ILE 62 0.739 8.074 -6.197 495 HD11 ILE 62 HD11 ILE 62 1.935 8.884 -1.877 496 HD12 ILE 62 HD12 ILE 62 0.682 7.822 -2.521 497 HD13 ILE 62 HD13 ILE 62 0.269 9.451 -1.987 498 H THR 63 HN THR 63 -0.685 10.018 -7.955 499 HA THR 63 HA THR 63 -3.432 10.990 -7.531 500 HB THR 63 HB THR 63 -3.452 11.377 -10.059 501 HG1 THR 63 HG1 THR 63 -1.364 10.234 -10.315 502 HG21 THR 63 HG21 THR 63 -1.671 13.103 -8.335 503 HG22 THR 63 HG22 THR 63 -3.428 13.209 -8.443 504 HG23 THR 63 HG23 THR 63 -2.433 13.600 -9.847 505 HA PRO 64 HA PRO 64 -4.867 6.979 -8.719 506 HB2 PRO 64 HB2 PRO 64 -7.117 8.143 -10.174 507 HB3 PRO 64 HB1 PRO 64 -7.120 7.236 -8.658 508 HG2 PRO 64 HG2 PRO 64 -7.670 9.871 -8.754 509 HG3 PRO 64 HG1 PRO 64 -6.878 9.107 -7.363 510 HD2 PRO 64 HD2 PRO 64 -5.671 10.718 -9.570 511 HD3 PRO 64 HD1 PRO 64 -5.308 10.727 -7.831 512 H GLY 65 HN GLY 65 -5.149 5.535 -10.476 513 HA2 GLY 65 HA2 GLY 65 -5.282 5.015 -12.793 514 HA3 GLY 65 HA1 GLY 65 -4.719 6.637 -13.160 515 H SER 66 HN SER 66 -2.855 5.476 -10.696 516 HA SER 66 HA SER 66 -0.760 4.642 -12.584 517 HB2 SER 66 HB2 SER 66 -0.508 5.797 -9.794 518 HB3 SER 66 HB1 SER 66 0.847 5.296 -10.804 519 HG SER 66 HG SER 66 -0.341 7.638 -10.776 520 H THR 67 HN THR 67 0.626 2.908 -12.009 521 HA THR 67 HA THR 67 -0.748 0.822 -10.530 522 HB THR 67 HB THR 67 1.263 -0.565 -11.350 523 HG1 THR 67 HG1 THR 67 2.692 0.424 -12.572 524 HG21 THR 67 HG21 THR 67 -0.582 0.716 -13.370 525 HG22 THR 67 HG22 THR 67 -0.974 -0.668 -12.352 526 HG23 THR 67 HG23 THR 67 0.281 -0.806 -13.581 527 H ILE 68 HN ILE 68 -0.252 0.233 -8.501 528 HA ILE 68 HA ILE 68 2.232 1.327 -7.346 529 HB ILE 68 HB ILE 68 -0.192 0.469 -5.775 530 HG12 ILE 68 HG12 ILE 68 0.438 3.345 -6.086 531 HG13 ILE 68 HG11 ILE 68 -0.249 2.549 -7.497 532 HG21 ILE 68 HG21 ILE 68 2.197 2.163 -5.056 533 HG22 ILE 68 HG22 ILE 68 1.901 0.508 -4.525 534 HG23 ILE 68 HG23 ILE 68 0.832 1.807 -3.997 535 HD11 ILE 68 HD11 ILE 68 -1.473 2.605 -4.750 536 HD12 ILE 68 HD12 ILE 68 -2.172 1.861 -6.189 537 HD13 ILE 68 HD13 ILE 68 -1.955 3.609 -6.116 538 H THR 69 HN THR 69 3.728 -0.011 -6.596 539 HA THR 69 HA THR 69 3.143 -2.878 -6.541 540 HB THR 69 HB THR 69 5.796 -2.845 -6.450 541 HG1 THR 69 HG1 THR 69 5.687 -0.445 -6.430 542 HG21 THR 69 HG21 THR 69 4.099 -2.407 -8.906 543 HG22 THR 69 HG22 THR 69 4.596 -3.949 -8.208 544 HG23 THR 69 HG23 THR 69 5.792 -2.895 -8.959 545 H LEU 70 HN LEU 70 3.410 -4.029 -4.688 546 HA LEU 70 HA LEU 70 4.246 -2.505 -2.316 547 HB2 LEU 70 HB2 LEU 70 2.930 -4.057 -0.997 548 HB3 LEU 70 HB1 LEU 70 1.949 -3.323 -2.250 549 HG LEU 70 HG LEU 70 2.848 -5.646 -3.440 550 HD11 LEU 70 HD11 LEU 70 2.285 -7.419 -1.842 551 HD12 LEU 70 HD12 LEU 70 2.139 -6.212 -0.565 552 HD13 LEU 70 HD13 LEU 70 3.700 -6.497 -1.336 553 HD21 LEU 70 HD21 LEU 70 0.502 -6.408 -3.056 554 HD22 LEU 70 HD22 LEU 70 0.644 -4.780 -3.717 555 HD23 LEU 70 HD23 LEU 70 0.278 -5.010 -2.005 556 H GLU 71 HN GLU 71 5.342 -3.708 -0.611 557 HA GLU 71 HA GLU 71 6.876 -6.033 -1.499 558 HB2 GLU 71 HB2 GLU 71 8.051 -3.422 -0.554 559 HB3 GLU 71 HB1 GLU 71 8.937 -4.934 -0.421 560 HG2 GLU 71 HG2 GLU 71 8.778 -5.237 -2.844 561 HG3 GLU 71 HG1 GLU 71 7.906 -3.710 -2.971 562 H ILE 72 HN ILE 72 7.222 -7.501 0.072 563 HA ILE 72 HA ILE 72 6.324 -6.794 2.789 564 HB ILE 72 HB ILE 72 6.434 -9.605 1.715 565 HG12 ILE 72 HG12 ILE 72 3.766 -8.951 1.728 566 HG13 ILE 72 HG11 ILE 72 4.504 -7.481 1.100 567 HG21 ILE 72 HG21 ILE 72 4.868 -8.340 3.959 568 HG22 ILE 72 HG22 ILE 72 6.302 -9.352 4.135 569 HG23 ILE 72 HG23 ILE 72 4.812 -10.041 3.491 570 HD11 ILE 72 HD11 ILE 72 5.527 -8.708 -0.692 571 HD12 ILE 72 HD12 ILE 72 3.801 -9.062 -0.655 572 HD13 ILE 72 HD13 ILE 72 4.955 -10.237 -0.023 573 H LYS 73 HN LYS 73 7.541 -7.416 4.549 574 HA LYS 73 HA LYS 73 10.328 -8.073 3.947 575 HB2 LYS 73 HB2 LYS 73 8.982 -6.867 6.355 576 HB3 LYS 73 HB1 LYS 73 10.651 -7.414 6.391 577 HG2 LYS 73 HG2 LYS 73 11.214 -5.853 4.608 578 HG3 LYS 73 HG1 LYS 73 9.534 -5.315 4.544 579 HD2 LYS 73 HD2 LYS 73 9.694 -4.543 6.858 580 HD3 LYS 73 HD1 LYS 73 11.368 -5.092 6.929 581 HE2 LYS 73 HE2 LYS 73 11.940 -3.526 5.125 582 HE3 LYS 73 HE1 LYS 73 10.269 -2.961 5.100 583 HZ1 LYS 73 HZ1 LYS 73 11.722 -1.502 6.394 584 HZ2 LYS 73 HZ2 LYS 73 12.098 -2.781 7.435 585 HZ3 LYS 73 HZ3 LYS 73 10.515 -2.188 7.361 586 H LYS 74 HN LYS 74 11.445 -9.704 5.045 587 HA LYS 74 HA LYS 74 9.780 -11.669 6.465 588 HB2 LYS 74 HB2 LYS 74 11.695 -12.138 4.194 589 HB3 LYS 74 HB1 LYS 74 11.292 -13.418 5.330 590 HG2 LYS 74 HG2 LYS 74 8.925 -13.181 4.749 591 HG3 LYS 74 HG1 LYS 74 9.347 -11.920 3.589 592 HD2 LYS 74 HD2 LYS 74 10.738 -13.539 2.366 593 HD3 LYS 74 HD1 LYS 74 10.261 -14.795 3.511 594 HE2 LYS 74 HE2 LYS 74 7.923 -14.507 2.851 595 HE3 LYS 74 HE1 LYS 74 8.398 -13.251 1.709 596 HZ1 LYS 74 HZ1 LYS 74 8.090 -15.374 0.606 597 HZ2 LYS 74 HZ2 LYS 74 9.249 -16.094 1.605 598 HZ3 LYS 74 HZ3 LYS 74 9.710 -14.890 0.509 599 H LYS 75 HN LYS 75 13.064 -10.543 5.768 600 HA LYS 75 HA LYS 75 13.903 -11.557 8.402 601 HB2 LYS 75 HB2 LYS 75 15.426 -11.187 5.835 602 HB3 LYS 75 HB1 LYS 75 16.251 -11.339 7.380 603 HG2 LYS 75 HG2 LYS 75 15.212 -13.525 7.716 604 HG3 LYS 75 HG1 LYS 75 14.391 -13.373 6.162 605 HD2 LYS 75 HD2 LYS 75 16.569 -13.250 5.036 606 HD3 LYS 75 HD1 LYS 75 17.380 -13.428 6.594 607 HE2 LYS 75 HE2 LYS 75 16.329 -15.622 6.883 608 HE3 LYS 75 HE1 LYS 75 15.522 -15.441 5.327 609 HZ1 LYS 75 HZ1 LYS 75 18.462 -15.546 5.750 610 HZ2 LYS 75 HZ2 LYS 75 17.689 -15.373 4.255 611 HZ3 LYS 75 HZ3 LYS 75 17.507 -16.802 5.141 612 H GLY 76 HN GLY 76 15.151 -10.237 9.733 613 HA2 GLY 76 HA2 GLY 76 15.606 -7.468 8.913 614 HA3 GLY 76 HA1 GLY 76 14.528 -7.728 10.275 615 H GLY 77 HN GLY 77 15.362 -8.567 12.222 616 HA2 GLY 77 HA2 GLY 77 18.007 -9.363 12.659 617 HA3 GLY 77 HA1 GLY 77 17.932 -7.626 12.907 618 H LEU 78 HN LEU 78 17.019 -6.816 14.730 619 HA LEU 78 HA LEU 78 15.929 -8.770 16.649 620 HB2 LEU 78 HB2 LEU 78 17.813 -6.469 17.152 621 HB3 LEU 78 HB1 LEU 78 16.951 -7.303 18.430 622 HG LEU 78 HG LEU 78 18.636 -8.907 16.563 623 HD11 LEU 78 HD11 LEU 78 19.700 -7.290 18.872 624 HD12 LEU 78 HD12 LEU 78 20.085 -7.058 17.167 625 HD13 LEU 78 HD13 LEU 78 20.589 -8.533 17.991 626 HD21 LEU 78 HD21 LEU 78 17.996 -9.107 19.502 627 HD22 LEU 78 HD22 LEU 78 18.949 -10.264 18.573 628 HD23 LEU 78 HD23 LEU 78 17.237 -10.034 18.207 629 H GLU 79 HN GLU 79 16.041 -5.379 15.653 630 HA GLU 79 HA GLU 79 13.555 -4.842 17.102 631 HB2 GLU 79 HB2 GLU 79 15.691 -3.121 15.890 632 HB3 GLU 79 HB1 GLU 79 14.104 -2.445 16.226 633 HG2 GLU 79 HG2 GLU 79 15.179 -1.919 18.160 634 HG3 GLU 79 HG1 GLU 79 14.522 -3.494 18.599 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -9.002 7.119 -12.033 2 H2 MET 1 HT2 MET 1 -7.636 7.899 -11.413 3 H3 MET 1 HT3 MET 1 -8.052 8.089 -13.041 4 HA MET 1 HA MET 1 -8.631 10.042 -11.744 5 HB2 MET 1 HB2 MET 1 -10.814 8.379 -12.972 6 HB3 MET 1 HB1 MET 1 -11.149 9.976 -12.322 7 HG2 MET 1 HG2 MET 1 -10.804 10.270 -14.625 8 HG3 MET 1 HG1 MET 1 -9.341 10.852 -13.835 9 HE1 MET 1 HE1 MET 1 -8.045 10.822 -16.078 10 HE2 MET 1 HE2 MET 1 -9.420 10.195 -16.987 11 HE3 MET 1 HE3 MET 1 -7.845 9.410 -17.116 12 H ASP 2 HN ASP 2 -10.154 7.070 -10.633 13 HA ASP 2 HA ASP 2 -10.527 8.298 -8.005 14 HB2 ASP 2 HB2 ASP 2 -12.782 7.130 -7.857 15 HB3 ASP 2 HB1 ASP 2 -12.714 8.544 -8.904 16 H THR 3 HN THR 3 -10.043 5.517 -10.004 17 HA THR 3 HA THR 3 -9.696 3.821 -7.626 18 HB THR 3 HB THR 3 -9.738 1.927 -9.363 19 HG1 THR 3 HG1 THR 3 -11.271 3.612 -10.981 20 HG21 THR 3 HG21 THR 3 -11.576 2.368 -7.802 21 HG22 THR 3 HG22 THR 3 -12.186 1.864 -9.379 22 HG23 THR 3 HG23 THR 3 -12.238 3.564 -8.917 23 H ILE 4 HN ILE 4 -7.902 2.401 -7.540 24 HA ILE 4 HA ILE 4 -5.639 3.107 -9.286 25 HB ILE 4 HB ILE 4 -4.162 2.728 -7.244 26 HG12 ILE 4 HG12 ILE 4 -6.372 3.661 -5.511 27 HG13 ILE 4 HG11 ILE 4 -6.455 1.973 -6.004 28 HG21 ILE 4 HG21 ILE 4 -5.950 5.143 -7.415 29 HG22 ILE 4 HG22 ILE 4 -4.392 4.906 -8.207 30 HG23 ILE 4 HG23 ILE 4 -4.475 5.060 -6.451 31 HD11 ILE 4 HD11 ILE 4 -4.236 1.589 -5.085 32 HD12 ILE 4 HD12 ILE 4 -5.331 2.235 -3.863 33 HD13 ILE 4 HD13 ILE 4 -4.131 3.286 -4.615 34 H ASN 5 HN ASN 5 -3.918 1.467 -9.298 35 HA ASN 5 HA ASN 5 -5.014 -1.227 -8.843 36 HB2 ASN 5 HB2 ASN 5 -4.671 -1.593 -11.031 37 HB3 ASN 5 HB1 ASN 5 -3.911 -0.023 -11.220 38 HD21 ASN 5 HD21 ASN 5 -1.806 0.078 -11.550 39 HD22 ASN 5 HD22 ASN 5 -0.744 -1.283 -11.546 40 H ILE 6 HN ILE 6 -3.915 -2.543 -7.564 41 HA ILE 6 HA ILE 6 -1.173 -1.773 -6.813 42 HB ILE 6 HB ILE 6 -2.895 -3.345 -4.933 43 HG12 ILE 6 HG12 ILE 6 -3.063 -0.774 -3.967 44 HG13 ILE 6 HG11 ILE 6 -3.280 -0.534 -5.698 45 HG21 ILE 6 HG21 ILE 6 -0.899 -1.252 -4.201 46 HG22 ILE 6 HG22 ILE 6 -0.345 -2.828 -4.761 47 HG23 ILE 6 HG23 ILE 6 -1.365 -2.712 -3.328 48 HD11 ILE 6 HD11 ILE 6 -5.185 -1.950 -5.731 49 HD12 ILE 6 HD12 ILE 6 -5.382 -0.829 -4.385 50 HD13 ILE 6 HD13 ILE 6 -4.885 -2.493 -4.081 51 H THR 7 HN THR 7 0.225 -3.146 -7.617 52 HA THR 7 HA THR 7 -0.592 -5.810 -8.411 53 HB THR 7 HB THR 7 2.246 -4.951 -8.640 54 HG1 THR 7 HG1 THR 7 0.102 -3.536 -9.626 55 HG21 THR 7 HG21 THR 7 2.024 -6.069 -10.817 56 HG22 THR 7 HG22 THR 7 0.305 -6.318 -10.509 57 HG23 THR 7 HG23 THR 7 1.507 -7.120 -9.499 58 H LEU 8 HN LEU 8 -0.119 -7.660 -7.426 59 HA LEU 8 HA LEU 8 1.372 -7.559 -4.913 60 HB2 LEU 8 HB2 LEU 8 -0.994 -8.808 -5.802 61 HB3 LEU 8 HB1 LEU 8 0.167 -10.081 -5.573 62 HG LEU 8 HG LEU 8 0.461 -8.646 -3.259 63 HD11 LEU 8 HD11 LEU 8 -2.500 -8.781 -3.686 64 HD12 LEU 8 HD12 LEU 8 -1.583 -7.336 -4.117 65 HD13 LEU 8 HD13 LEU 8 -1.588 -7.914 -2.450 66 HD21 LEU 8 HD21 LEU 8 0.315 -11.061 -3.430 67 HD22 LEU 8 HD22 LEU 8 -1.403 -10.953 -3.815 68 HD23 LEU 8 HD23 LEU 8 -0.822 -10.465 -2.222 69 HA PRO 9 HA PRO 9 4.699 -9.971 -6.653 70 HB2 PRO 9 HB2 PRO 9 4.912 -11.650 -4.276 71 HB3 PRO 9 HB1 PRO 9 6.010 -10.388 -4.848 72 HG2 PRO 9 HG2 PRO 9 4.509 -10.102 -2.619 73 HG3 PRO 9 HG1 PRO 9 4.988 -8.740 -3.648 74 HD2 PRO 9 HD2 PRO 9 2.368 -10.164 -3.509 75 HD3 PRO 9 HD1 PRO 9 2.706 -8.430 -3.692 76 H ASP 10 HN ASP 10 1.718 -11.271 -5.959 77 HA ASP 10 HA ASP 10 2.392 -14.030 -6.630 78 HB2 ASP 10 HB2 ASP 10 0.596 -13.136 -4.898 79 HB3 ASP 10 HB1 ASP 10 -0.425 -13.082 -6.330 80 H GLY 11 HN GLY 11 1.483 -11.151 -8.184 81 HA2 GLY 11 HA2 GLY 11 1.565 -10.986 -10.566 82 HA3 GLY 11 HA1 GLY 11 1.016 -12.651 -10.669 83 H LYS 12 HN LYS 12 -0.802 -11.045 -8.358 84 HA LYS 12 HA LYS 12 -2.921 -10.563 -10.342 85 HB2 LYS 12 HB2 LYS 12 -4.512 -10.883 -8.444 86 HB3 LYS 12 HB1 LYS 12 -3.572 -12.311 -8.842 87 HG2 LYS 12 HG2 LYS 12 -2.075 -11.829 -6.951 88 HG3 LYS 12 HG1 LYS 12 -3.078 -10.436 -6.538 89 HD2 LYS 12 HD2 LYS 12 -5.007 -11.932 -6.242 90 HD3 LYS 12 HD1 LYS 12 -3.978 -13.317 -6.615 91 HE2 LYS 12 HE2 LYS 12 -2.576 -12.775 -4.669 92 HE3 LYS 12 HE1 LYS 12 -3.643 -11.422 -4.291 93 HZ1 LYS 12 HZ1 LYS 12 -4.440 -14.283 -4.357 94 HZ2 LYS 12 HZ2 LYS 12 -5.460 -12.986 -3.991 95 HZ3 LYS 12 HZ3 LYS 12 -4.175 -13.367 -2.960 96 H THR 13 HN THR 13 -4.298 -8.755 -10.081 97 HA THR 13 HA THR 13 -3.023 -6.549 -8.609 98 HB THR 13 HB THR 13 -4.235 -5.069 -10.288 99 HG1 THR 13 HG1 THR 13 -4.500 -6.430 -12.345 100 HG21 THR 13 HG21 THR 13 -2.508 -5.420 -12.016 101 HG22 THR 13 HG22 THR 13 -2.095 -6.966 -11.271 102 HG23 THR 13 HG23 THR 13 -1.832 -5.463 -10.388 103 H LEU 14 HN LEU 14 -4.270 -5.093 -7.482 104 HA LEU 14 HA LEU 14 -7.032 -5.959 -6.915 105 HB2 LEU 14 HB2 LEU 14 -4.814 -5.026 -5.159 106 HB3 LEU 14 HB1 LEU 14 -6.443 -4.566 -4.717 107 HG LEU 14 HG LEU 14 -5.804 -6.543 -3.496 108 HD11 LEU 14 HD11 LEU 14 -7.701 -7.428 -5.651 109 HD12 LEU 14 HD12 LEU 14 -8.143 -6.299 -4.371 110 HD13 LEU 14 HD13 LEU 14 -7.648 -7.942 -3.965 111 HD21 LEU 14 HD21 LEU 14 -4.088 -7.376 -5.025 112 HD22 LEU 14 HD22 LEU 14 -5.339 -7.849 -6.173 113 HD23 LEU 14 HD23 LEU 14 -5.244 -8.640 -4.600 114 H THR 15 HN THR 15 -8.610 -4.338 -6.587 115 HA THR 15 HA THR 15 -7.832 -1.666 -7.561 116 HB THR 15 HB THR 15 -10.650 -2.598 -7.849 117 HG1 THR 15 HG1 THR 15 -9.925 -3.430 -9.986 118 HG21 THR 15 HG21 THR 15 -8.820 -0.914 -9.563 119 HG22 THR 15 HG22 THR 15 -10.030 -0.305 -8.433 120 HG23 THR 15 HG23 THR 15 -10.533 -1.205 -9.865 121 H LEU 16 HN LEU 16 -8.111 -0.068 -6.169 122 HA LEU 16 HA LEU 16 -10.258 -0.241 -4.181 123 HB2 LEU 16 HB2 LEU 16 -7.901 -0.921 -3.321 124 HB3 LEU 16 HB1 LEU 16 -7.556 0.796 -3.395 125 HG LEU 16 HG LEU 16 -9.739 0.995 -1.941 126 HD11 LEU 16 HD11 LEU 16 -9.966 -0.916 -0.397 127 HD12 LEU 16 HD12 LEU 16 -8.836 -1.830 -1.398 128 HD13 LEU 16 HD13 LEU 16 -10.391 -1.329 -2.059 129 HD21 LEU 16 HD21 LEU 16 -7.524 1.691 -1.229 130 HD22 LEU 16 HD22 LEU 16 -7.099 0.021 -0.852 131 HD23 LEU 16 HD23 LEU 16 -8.353 0.844 0.077 132 H THR 17 HN THR 17 -10.761 1.862 -3.200 133 HA THR 17 HA THR 17 -10.455 4.001 -5.169 134 HB THR 17 HB THR 17 -12.220 4.321 -2.789 135 HG1 THR 17 HG1 THR 17 -13.256 2.536 -3.271 136 HG21 THR 17 HG21 THR 17 -13.656 5.432 -4.445 137 HG22 THR 17 HG22 THR 17 -12.517 4.995 -5.718 138 HG23 THR 17 HG23 THR 17 -12.026 6.109 -4.443 139 H VAL 18 HN VAL 18 -9.376 5.874 -4.749 140 HA VAL 18 HA VAL 18 -8.175 6.136 -2.064 141 HB VAL 18 HB VAL 18 -6.487 7.636 -3.368 142 HG11 VAL 18 HG11 VAL 18 -5.661 5.734 -2.298 143 HG12 VAL 18 HG12 VAL 18 -5.172 5.531 -3.981 144 HG13 VAL 18 HG13 VAL 18 -6.557 4.639 -3.351 145 HG21 VAL 18 HG21 VAL 18 -6.093 6.922 -5.667 146 HG22 VAL 18 HG22 VAL 18 -7.705 7.615 -5.486 147 HG23 VAL 18 HG23 VAL 18 -7.503 5.865 -5.588 148 H THR 19 HN THR 19 -8.029 8.165 -1.113 149 HA THR 19 HA THR 19 -9.381 10.394 -2.443 150 HB THR 19 HB THR 19 -10.488 10.947 -0.207 151 HG1 THR 19 HG1 THR 19 -9.330 8.535 0.391 152 HG21 THR 19 HG21 THR 19 -11.424 8.501 -1.711 153 HG22 THR 19 HG22 THR 19 -11.770 10.179 -2.133 154 HG23 THR 19 HG23 THR 19 -12.418 9.492 -0.643 155 HA PRO 20 HA PRO 20 -6.086 12.748 -0.680 156 HB2 PRO 20 HB2 PRO 20 -7.784 15.070 -0.272 157 HB3 PRO 20 HB1 PRO 20 -6.534 14.813 -1.494 158 HG2 PRO 20 HG2 PRO 20 -9.173 14.944 -2.099 159 HG3 PRO 20 HG1 PRO 20 -8.001 14.004 -3.041 160 HD2 PRO 20 HD2 PRO 20 -9.971 13.063 -1.010 161 HD3 PRO 20 HD1 PRO 20 -9.481 12.318 -2.545 162 H GLU 21 HN GLU 21 -8.842 12.013 1.128 163 HA GLU 21 HA GLU 21 -7.835 13.344 3.533 164 HB2 GLU 21 HB2 GLU 21 -10.343 13.266 2.643 165 HB3 GLU 21 HB1 GLU 21 -10.358 11.769 3.563 166 HG2 GLU 21 HG2 GLU 21 -9.667 12.987 5.561 167 HG3 GLU 21 HG1 GLU 21 -9.638 14.488 4.636 168 H PHE 22 HN PHE 22 -7.651 10.365 1.986 169 HA PHE 22 HA PHE 22 -7.586 8.754 4.382 170 HB2 PHE 22 HB2 PHE 22 -7.733 8.282 1.543 171 HB3 PHE 22 HB1 PHE 22 -6.439 7.341 2.242 172 HD1 PHE 22 HD2 PHE 22 -10.016 8.181 2.789 173 HD2 PHE 22 HD1 PHE 22 -6.920 5.289 3.177 174 HE1 PHE 22 HE2 PHE 22 -11.663 6.532 3.576 175 HE2 PHE 22 HE1 PHE 22 -8.560 3.634 3.965 176 HZ PHE 22 HZ PHE 22 -10.934 4.255 4.167 177 H THR 23 HN THR 23 -5.771 7.924 5.347 178 HA THR 23 HA THR 23 -3.258 9.243 4.645 179 HB THR 23 HB THR 23 -2.450 8.162 6.815 180 HG1 THR 23 HG1 THR 23 -5.226 7.861 7.348 181 HG21 THR 23 HG21 THR 23 -4.699 10.173 6.847 182 HG22 THR 23 HG22 THR 23 -2.967 10.499 6.787 183 HG23 THR 23 HG23 THR 23 -3.684 9.811 8.243 184 H VAL 24 HN VAL 24 -1.253 7.756 4.983 185 HA VAL 24 HA VAL 24 -1.457 5.639 3.096 186 HB VAL 24 HB VAL 24 0.829 6.092 5.020 187 HG11 VAL 24 HG11 VAL 24 0.840 3.973 3.750 188 HG12 VAL 24 HG12 VAL 24 2.184 5.030 3.321 189 HG13 VAL 24 HG13 VAL 24 0.790 4.898 2.249 190 HG21 VAL 24 HG21 VAL 24 0.333 8.191 3.912 191 HG22 VAL 24 HG22 VAL 24 0.324 7.388 2.342 192 HG23 VAL 24 HG23 VAL 24 1.822 7.507 3.264 193 H LYS 25 HN LYS 25 -1.489 5.835 6.582 194 HA LYS 25 HA LYS 25 -1.200 3.044 7.087 195 HB2 LYS 25 HB2 LYS 25 -0.903 5.151 8.645 196 HB3 LYS 25 HB1 LYS 25 -2.605 4.869 8.986 197 HG2 LYS 25 HG2 LYS 25 -2.107 2.619 9.741 198 HG3 LYS 25 HG1 LYS 25 -0.403 2.850 9.343 199 HD2 LYS 25 HD2 LYS 25 -0.258 4.653 10.982 200 HD3 LYS 25 HD1 LYS 25 -1.967 4.447 11.369 201 HE2 LYS 25 HE2 LYS 25 -1.518 2.161 12.116 202 HE3 LYS 25 HE1 LYS 25 0.191 2.374 11.738 203 HZ1 LYS 25 HZ1 LYS 25 0.295 4.142 13.383 204 HZ2 LYS 25 HZ2 LYS 25 -0.234 2.699 14.087 205 HZ3 LYS 25 HZ3 LYS 25 -1.343 3.931 13.748 206 H GLU 26 HN GLU 26 -3.924 5.226 6.628 207 HA GLU 26 HA GLU 26 -5.933 3.350 7.375 208 HB2 GLU 26 HB2 GLU 26 -5.918 6.021 6.989 209 HB3 GLU 26 HB1 GLU 26 -6.641 5.498 5.473 210 HG2 GLU 26 HG2 GLU 26 -8.477 4.533 6.552 211 HG3 GLU 26 HG1 GLU 26 -7.674 4.541 8.122 212 H LEU 27 HN LEU 27 -4.723 4.493 4.215 213 HA LEU 27 HA LEU 27 -6.344 2.851 2.638 214 HB2 LEU 27 HB2 LEU 27 -4.888 4.818 1.945 215 HB3 LEU 27 HB1 LEU 27 -3.546 3.692 1.942 216 HG LEU 27 HG LEU 27 -5.078 2.304 0.330 217 HD11 LEU 27 HD11 LEU 27 -6.477 3.748 -1.081 218 HD12 LEU 27 HD12 LEU 27 -6.185 5.090 0.026 219 HD13 LEU 27 HD13 LEU 27 -7.061 3.664 0.582 220 HD21 LEU 27 HD21 LEU 27 -4.112 3.495 -1.590 221 HD22 LEU 27 HD22 LEU 27 -2.929 3.238 -0.307 222 HD23 LEU 27 HD23 LEU 27 -3.663 4.828 -0.526 223 H ALA 28 HN ALA 28 -3.289 2.218 4.262 224 HA ALA 28 HA ALA 28 -2.752 -0.254 2.957 225 HB1 ALA 28 HB1 ALA 28 -0.977 -0.530 4.516 226 HB2 ALA 28 HB2 ALA 28 -1.701 0.629 5.633 227 HB3 ALA 28 HB3 ALA 28 -1.048 1.182 4.091 228 H GLU 29 HN GLU 29 -4.472 0.604 5.938 229 HA GLU 29 HA GLU 29 -4.676 -2.072 6.881 230 HB2 GLU 29 HB2 GLU 29 -6.003 -1.245 8.619 231 HB3 GLU 29 HB1 GLU 29 -4.934 0.093 8.230 232 HG2 GLU 29 HG2 GLU 29 -6.762 1.060 6.845 233 HG3 GLU 29 HG1 GLU 29 -7.818 -0.222 7.439 234 H GLU 30 HN GLU 30 -6.482 -0.223 4.574 235 HA GLU 30 HA GLU 30 -8.861 -1.798 4.628 236 HB2 GLU 30 HB2 GLU 30 -7.940 0.523 3.279 237 HB3 GLU 30 HB1 GLU 30 -8.436 -0.627 2.048 238 HG2 GLU 30 HG2 GLU 30 -10.590 -0.873 3.398 239 HG3 GLU 30 HG1 GLU 30 -10.085 0.598 4.232 240 H ILE 31 HN ILE 31 -6.048 -1.707 2.463 241 HA ILE 31 HA ILE 31 -6.877 -3.926 0.894 242 HB ILE 31 HB ILE 31 -5.284 -2.160 0.119 243 HG12 ILE 31 HG12 ILE 31 -3.627 -3.958 -0.882 244 HG13 ILE 31 HG11 ILE 31 -4.756 -5.088 -0.140 245 HG21 ILE 31 HG21 ILE 31 -2.988 -2.191 0.718 246 HG22 ILE 31 HG22 ILE 31 -3.183 -3.680 1.643 247 HG23 ILE 31 HG23 ILE 31 -3.909 -2.181 2.224 248 HD11 ILE 31 HD11 ILE 31 -5.157 -4.523 -2.560 249 HD12 ILE 31 HD12 ILE 31 -5.634 -2.916 -2.012 250 HD13 ILE 31 HD13 ILE 31 -6.536 -4.333 -1.478 251 H ALA 32 HN ALA 32 -4.926 -3.626 3.796 252 HA ALA 32 HA ALA 32 -3.749 -6.202 3.718 253 HB1 ALA 32 HB1 ALA 32 -2.895 -4.303 5.057 254 HB2 ALA 32 HB2 ALA 32 -3.087 -5.789 5.989 255 HB3 ALA 32 HB3 ALA 32 -4.274 -4.493 6.139 256 H ARG 33 HN ARG 33 -6.790 -4.990 4.962 257 HA ARG 33 HA ARG 33 -7.497 -7.165 6.587 258 HB2 ARG 33 HB2 ARG 33 -8.587 -4.762 6.101 259 HB3 ARG 33 HB1 ARG 33 -9.651 -5.761 5.117 260 HG2 ARG 33 HG2 ARG 33 -10.246 -7.092 7.033 261 HG3 ARG 33 HG1 ARG 33 -9.083 -6.225 8.038 262 HD2 ARG 33 HD2 ARG 33 -10.340 -4.154 7.694 263 HD3 ARG 33 HD1 ARG 33 -11.503 -5.029 6.697 264 HE ARG 33 HE ARG 33 -11.523 -6.398 9.030 265 HH11 ARG 33 HH12 ARG 33 -11.922 -3.029 8.223 266 HH12 ARG 33 HH11 ARG 33 -12.976 -2.704 9.556 267 HH21 ARG 33 HH21 ARG 33 -12.907 -5.980 10.783 268 HH22 ARG 33 HH22 ARG 33 -13.537 -4.384 11.013 269 H ARG 34 HN ARG 34 -7.766 -6.681 3.124 270 HA ARG 34 HA ARG 34 -9.397 -9.057 2.791 271 HB2 ARG 34 HB2 ARG 34 -8.363 -6.951 0.925 272 HB3 ARG 34 HB1 ARG 34 -8.998 -8.464 0.292 273 HG2 ARG 34 HG2 ARG 34 -10.900 -7.220 0.246 274 HG3 ARG 34 HG1 ARG 34 -11.025 -7.863 1.884 275 HD2 ARG 34 HD2 ARG 34 -10.045 -5.830 2.779 276 HD3 ARG 34 HD1 ARG 34 -9.834 -5.194 1.152 277 HE ARG 34 HE ARG 34 -12.559 -5.856 1.810 278 HH11 ARG 34 HH12 ARG 34 -10.087 -3.403 1.908 279 HH12 ARG 34 HH11 ARG 34 -11.210 -2.086 1.997 280 HH21 ARG 34 HH22 ARG 34 -14.053 -4.124 1.951 281 HH22 ARG 34 HH21 ARG 34 -13.462 -2.497 2.023 282 H LEU 35 HN LEU 35 -6.098 -8.399 3.067 283 HA LEU 35 HA LEU 35 -5.326 -10.633 1.342 284 HB2 LEU 35 HB2 LEU 35 -3.716 -8.550 2.805 285 HB3 LEU 35 HB1 LEU 35 -2.984 -9.916 1.982 286 HG LEU 35 HG LEU 35 -4.806 -8.044 0.505 287 HD11 LEU 35 HD11 LEU 35 -1.861 -7.677 1.021 288 HD12 LEU 35 HD12 LEU 35 -3.170 -6.594 1.496 289 HD13 LEU 35 HD13 LEU 35 -2.781 -6.812 -0.210 290 HD21 LEU 35 HD21 LEU 35 -4.159 -10.209 -0.506 291 HD22 LEU 35 HD22 LEU 35 -2.468 -9.719 -0.396 292 HD23 LEU 35 HD23 LEU 35 -3.583 -8.815 -1.421 293 H GLY 36 HN GLY 36 -5.915 -9.926 4.646 294 HA2 GLY 36 HA2 GLY 36 -6.151 -11.583 6.300 295 HA3 GLY 36 HA1 GLY 36 -5.154 -12.657 5.339 296 H LEU 37 HN LEU 37 -3.387 -9.925 5.322 297 HA LEU 37 HA LEU 37 -2.084 -10.601 7.877 298 HB2 LEU 37 HB2 LEU 37 0.069 -9.890 6.794 299 HB3 LEU 37 HB1 LEU 37 -0.618 -11.393 6.216 300 HG LEU 37 HG LEU 37 -1.282 -8.944 4.673 301 HD11 LEU 37 HD11 LEU 37 0.834 -9.051 3.448 302 HD12 LEU 37 HD12 LEU 37 1.435 -10.251 4.592 303 HD13 LEU 37 HD13 LEU 37 1.086 -8.610 5.138 304 HD21 LEU 37 HD21 LEU 37 -2.180 -11.032 3.928 305 HD22 LEU 37 HD22 LEU 37 -0.594 -11.801 4.003 306 HD23 LEU 37 HD23 LEU 37 -0.912 -10.553 2.799 307 H SER 38 HN SER 38 -0.694 -8.835 8.755 308 HA SER 38 HA SER 38 -2.262 -6.413 8.812 309 HB2 SER 38 HB2 SER 38 0.210 -7.201 10.358 310 HB3 SER 38 HB1 SER 38 -0.764 -5.766 10.670 311 HG SER 38 HG SER 38 -1.469 -7.349 12.048 312 HA PRO 39 HA PRO 39 0.131 -3.792 6.190 313 HB2 PRO 39 HB2 PRO 39 -0.096 -1.634 8.176 314 HB3 PRO 39 HB1 PRO 39 -0.761 -1.730 6.540 315 HG2 PRO 39 HG2 PRO 39 -2.337 -1.897 8.695 316 HG3 PRO 39 HG1 PRO 39 -2.668 -2.816 7.214 317 HD2 PRO 39 HD2 PRO 39 -1.450 -3.742 9.777 318 HD3 PRO 39 HD1 PRO 39 -2.629 -4.554 8.727 319 H GLU 40 HN GLU 40 1.146 -4.350 9.441 320 HA GLU 40 HA GLU 40 3.466 -2.784 9.581 321 HB2 GLU 40 HB2 GLU 40 2.632 -5.346 10.904 322 HB3 GLU 40 HB1 GLU 40 4.192 -4.609 11.239 323 HG2 GLU 40 HG2 GLU 40 3.067 -2.575 11.991 324 HG3 GLU 40 HG1 GLU 40 1.505 -3.323 11.661 325 H ASP 41 HN ASP 41 2.835 -5.722 7.856 326 HA ASP 41 HA ASP 41 5.698 -6.163 7.380 327 HB2 ASP 41 HB2 ASP 41 3.271 -7.889 6.896 328 HB3 ASP 41 HB1 ASP 41 4.865 -8.298 6.271 329 H ILE 42 HN ILE 42 2.804 -5.054 5.852 330 HA ILE 42 HA ILE 42 3.932 -5.265 3.173 331 HB ILE 42 HB ILE 42 1.378 -3.819 3.624 332 HG12 ILE 42 HG12 ILE 42 1.488 -6.835 3.729 333 HG13 ILE 42 HG11 ILE 42 1.341 -5.831 5.164 334 HG21 ILE 42 HG21 ILE 42 0.756 -4.990 1.570 335 HG22 ILE 42 HG22 ILE 42 2.287 -5.867 1.609 336 HG23 ILE 42 HG23 ILE 42 2.278 -4.118 1.388 337 HD11 ILE 42 HD11 ILE 42 -0.621 -6.048 2.895 338 HD12 ILE 42 HD12 ILE 42 -0.753 -4.892 4.219 339 HD13 ILE 42 HD13 ILE 42 -0.827 -6.622 4.550 340 H LYS 43 HN LYS 43 4.956 -3.663 2.176 341 HA LYS 43 HA LYS 43 4.571 -0.931 3.191 342 HB2 LYS 43 HB2 LYS 43 6.930 -0.461 2.596 343 HB3 LYS 43 HB1 LYS 43 6.760 -1.650 3.879 344 HG2 LYS 43 HG2 LYS 43 7.135 -3.441 2.224 345 HG3 LYS 43 HG1 LYS 43 7.393 -2.206 0.989 346 HD2 LYS 43 HD2 LYS 43 9.276 -1.316 2.277 347 HD3 LYS 43 HD1 LYS 43 9.021 -2.557 3.507 348 HE2 LYS 43 HE2 LYS 43 9.536 -3.224 0.622 349 HE3 LYS 43 HE1 LYS 43 10.842 -2.991 1.782 350 HZ1 LYS 43 HZ1 LYS 43 8.667 -5.003 1.993 351 HZ2 LYS 43 HZ2 LYS 43 9.897 -4.770 3.130 352 HZ3 LYS 43 HZ3 LYS 43 10.276 -5.319 1.576 353 H LEU 44 HN LEU 44 4.338 0.673 1.722 354 HA LEU 44 HA LEU 44 3.851 -0.179 -1.026 355 HB2 LEU 44 HB2 LEU 44 3.153 2.341 0.481 356 HB3 LEU 44 HB1 LEU 44 2.832 2.118 -1.228 357 HG LEU 44 HG LEU 44 1.590 -0.063 -0.302 358 HD11 LEU 44 HD11 LEU 44 1.401 1.937 1.948 359 HD12 LEU 44 HD12 LEU 44 2.128 0.332 2.027 360 HD13 LEU 44 HD13 LEU 44 0.392 0.500 1.770 361 HD21 LEU 44 HD21 LEU 44 0.458 2.731 -0.336 362 HD22 LEU 44 HD22 LEU 44 -0.491 1.246 -0.363 363 HD23 LEU 44 HD23 LEU 44 0.582 1.631 -1.709 364 H THR 45 HN THR 45 5.035 0.491 -2.736 365 HA THR 45 HA THR 45 7.105 2.525 -2.261 366 HB THR 45 HB THR 45 7.716 0.244 -4.093 367 HG1 THR 45 HG1 THR 45 8.644 -0.853 -2.245 368 HG21 THR 45 HG21 THR 45 9.399 1.954 -2.259 369 HG22 THR 45 HG22 THR 45 9.217 2.173 -3.998 370 HG23 THR 45 HG23 THR 45 10.011 0.730 -3.371 371 H HIS 46 HN HIS 46 7.080 4.117 -3.702 372 HA HIS 46 HA HIS 46 6.030 3.607 -6.390 373 HB2 HIS 46 HB2 HIS 46 4.454 4.810 -4.535 374 HB3 HIS 46 HB1 HIS 46 5.269 6.212 -5.225 375 HD1 HIS 46 HD1 HIS 46 5.265 5.862 -8.116 376 HD2 HIS 46 HD2 HIS 46 2.116 4.449 -5.803 377 HE1 HIS 46 HE1 HIS 46 3.322 5.635 -9.694 378 HE2 HIS 46 HE2 HIS 46 1.427 4.777 -8.276 379 H ASN 47 HN ASN 47 7.304 4.382 -7.918 380 HA ASN 47 HA ASN 47 8.911 5.533 -9.027 381 HB2 ASN 47 HB2 ASN 47 8.292 7.611 -6.923 382 HB3 ASN 47 HB1 ASN 47 9.381 7.898 -8.277 383 HD21 ASN 47 HD21 ASN 47 6.211 7.973 -7.196 384 HD22 ASN 47 HD22 ASN 47 5.431 8.244 -8.712 385 H GLY 48 HN GLY 48 9.564 3.763 -6.713 386 HA2 GLY 48 HA2 GLY 48 11.676 2.958 -6.081 387 HA3 GLY 48 HA1 GLY 48 12.377 4.496 -6.554 388 H LYS 49 HN LYS 49 10.102 5.773 -4.889 389 HA LYS 49 HA LYS 49 11.607 5.704 -2.382 390 HB2 LYS 49 HB2 LYS 49 9.598 7.637 -3.525 391 HB3 LYS 49 HB1 LYS 49 10.108 7.714 -1.843 392 HG2 LYS 49 HG2 LYS 49 12.429 8.012 -2.569 393 HG3 LYS 49 HG1 LYS 49 11.901 7.958 -4.252 394 HD2 LYS 49 HD2 LYS 49 10.505 9.940 -3.866 395 HD3 LYS 49 HD1 LYS 49 11.064 9.998 -2.191 396 HE2 LYS 49 HE2 LYS 49 12.955 10.085 -4.525 397 HE3 LYS 49 HE1 LYS 49 12.221 11.541 -3.854 398 HZ1 LYS 49 HZ1 LYS 49 13.930 9.611 -2.378 399 HZ2 LYS 49 HZ2 LYS 49 13.202 10.981 -1.706 400 HZ3 LYS 49 HZ3 LYS 49 14.392 11.154 -2.895 401 H THR 50 HN THR 50 10.597 5.423 -0.370 402 HA THR 50 HA THR 50 8.224 3.724 -0.504 403 HB THR 50 HB THR 50 8.796 3.270 1.944 404 HG1 THR 50 HG1 THR 50 11.014 4.828 1.132 405 HG21 THR 50 HG21 THR 50 10.580 1.689 1.357 406 HG22 THR 50 HG22 THR 50 10.810 2.521 -0.182 407 HG23 THR 50 HG23 THR 50 9.295 1.683 0.151 408 H LEU 51 HN LEU 51 6.518 3.974 1.057 409 HA LEU 51 HA LEU 51 6.033 6.807 1.680 410 HB2 LEU 51 HB2 LEU 51 4.167 4.500 1.168 411 HB3 LEU 51 HB1 LEU 51 3.618 6.033 1.820 412 HG LEU 51 HG LEU 51 4.885 6.953 -0.348 413 HD11 LEU 51 HD11 LEU 51 5.615 4.774 -1.121 414 HD12 LEU 51 HD12 LEU 51 4.445 5.464 -2.247 415 HD13 LEU 51 HD13 LEU 51 3.949 4.195 -1.127 416 HD21 LEU 51 HD21 LEU 51 2.624 7.497 0.140 417 HD22 LEU 51 HD22 LEU 51 2.095 5.842 -0.163 418 HD23 LEU 51 HD23 LEU 51 2.663 6.844 -1.498 419 H ASP 52 HN ASP 52 5.647 7.466 3.719 420 HA ASP 52 HA ASP 52 6.004 5.507 5.847 421 HB2 ASP 52 HB2 ASP 52 7.115 7.922 5.571 422 HB3 ASP 52 HB1 ASP 52 5.673 8.400 6.461 423 HA PRO 53 HA PRO 53 1.667 5.271 6.799 424 HB2 PRO 53 HB2 PRO 53 2.482 4.750 9.578 425 HB3 PRO 53 HB1 PRO 53 1.600 3.712 8.452 426 HG2 PRO 53 HG2 PRO 53 4.137 3.198 9.152 427 HG3 PRO 53 HG1 PRO 53 3.504 2.827 7.538 428 HD2 PRO 53 HD2 PRO 53 5.256 5.072 8.409 429 HD3 PRO 53 HD1 PRO 53 5.276 4.133 6.903 430 H SER 54 HN SER 54 3.838 7.338 8.578 431 HA SER 54 HA SER 54 1.784 8.608 10.138 432 HB2 SER 54 HB2 SER 54 3.581 10.116 10.870 433 HB3 SER 54 HB1 SER 54 4.075 8.428 10.988 434 HG SER 54 HG SER 54 5.452 8.686 9.357 435 H LEU 55 HN LEU 55 3.286 9.185 7.038 436 HA LEU 55 HA LEU 55 2.383 11.893 6.868 437 HB2 LEU 55 HB2 LEU 55 3.767 9.979 5.033 438 HB3 LEU 55 HB1 LEU 55 3.237 11.537 4.501 439 HG LEU 55 HG LEU 55 5.014 11.298 6.892 440 HD11 LEU 55 HD11 LEU 55 5.957 11.491 4.037 441 HD12 LEU 55 HD12 LEU 55 6.088 10.059 5.058 442 HD13 LEU 55 HD13 LEU 55 6.963 11.528 5.485 443 HD21 LEU 55 HD21 LEU 55 4.524 13.459 4.851 444 HD22 LEU 55 HD22 LEU 55 5.717 13.551 6.146 445 HD23 LEU 55 HD23 LEU 55 4.000 13.451 6.534 446 H THR 56 HN THR 56 1.464 12.259 4.436 447 HA THR 56 HA THR 56 -1.020 10.677 4.324 448 HB THR 56 HB THR 56 -2.142 12.671 3.402 449 HG1 THR 56 HG1 THR 56 -0.975 14.698 3.612 450 HG21 THR 56 HG21 THR 56 -2.049 14.072 5.503 451 HG22 THR 56 HG22 THR 56 -0.792 12.976 6.079 452 HG23 THR 56 HG23 THR 56 -2.411 12.363 5.742 453 H LEU 57 HN LEU 57 -2.066 10.635 2.174 454 HA LEU 57 HA LEU 57 -0.194 9.777 0.198 455 HB2 LEU 57 HB2 LEU 57 -3.188 10.100 0.175 456 HB3 LEU 57 HB1 LEU 57 -2.282 9.465 -1.187 457 HG LEU 57 HG LEU 57 -1.986 8.189 1.505 458 HD11 LEU 57 HD11 LEU 57 -4.222 7.648 -0.440 459 HD12 LEU 57 HD12 LEU 57 -4.383 8.323 1.181 460 HD13 LEU 57 HD13 LEU 57 -3.824 6.664 0.969 461 HD21 LEU 57 HD21 LEU 57 -0.482 7.538 -0.311 462 HD22 LEU 57 HD22 LEU 57 -1.873 7.116 -1.310 463 HD23 LEU 57 HD23 LEU 57 -1.540 6.210 0.166 464 H ALA 58 HN ALA 58 -2.054 12.688 0.727 465 HA ALA 58 HA ALA 58 -1.603 13.728 -1.919 466 HB1 ALA 58 HB1 ALA 58 -3.631 14.277 -0.662 467 HB2 ALA 58 HB2 ALA 58 -2.729 15.722 -1.120 468 HB3 ALA 58 HB3 ALA 58 -2.650 15.120 0.536 469 H GLU 59 HN GLU 59 0.308 13.524 0.855 470 HA GLU 59 HA GLU 59 1.712 16.028 0.480 471 HB2 GLU 59 HB2 GLU 59 1.350 14.564 2.677 472 HB3 GLU 59 HB1 GLU 59 2.861 13.841 2.140 473 HG2 GLU 59 HG2 GLU 59 3.569 15.513 3.566 474 HG3 GLU 59 HG1 GLU 59 3.708 16.269 1.978 475 H TYR 60 HN TYR 60 1.948 12.762 -0.591 476 HA TYR 60 HA TYR 60 4.711 12.998 -1.416 477 HB2 TYR 60 HB2 TYR 60 2.669 10.845 -1.300 478 HB3 TYR 60 HB1 TYR 60 3.947 10.681 -2.490 479 HD1 TYR 60 HD1 TYR 60 6.292 10.431 -1.770 480 HD2 TYR 60 HD2 TYR 60 3.112 10.636 1.050 481 HE1 TYR 60 HE1 TYR 60 7.788 9.551 -0.026 482 HE2 TYR 60 HE2 TYR 60 4.600 9.759 2.798 483 HH TYR 60 HH TYR 60 7.952 9.583 2.454 484 H GLY 61 HN GLY 61 1.590 13.561 -2.746 485 HA2 GLY 61 HA2 GLY 61 1.132 14.629 -4.773 486 HA3 GLY 61 HA1 GLY 61 2.792 14.344 -5.268 487 H ILE 62 HN ILE 62 0.275 12.057 -4.203 488 HA ILE 62 HA ILE 62 0.797 10.525 -6.644 489 HB ILE 62 HB ILE 62 -0.859 9.573 -4.322 490 HG12 ILE 62 HG12 ILE 62 1.974 8.724 -4.525 491 HG13 ILE 62 HG11 ILE 62 1.698 10.370 -3.958 492 HG21 ILE 62 HG21 ILE 62 0.742 8.117 -6.422 493 HG22 ILE 62 HG22 ILE 62 -1.011 8.307 -6.408 494 HG23 ILE 62 HG23 ILE 62 -0.215 7.365 -5.146 495 HD11 ILE 62 HD11 ILE 62 0.272 9.516 -2.178 496 HD12 ILE 62 HD12 ILE 62 1.888 8.815 -2.108 497 HD13 ILE 62 HD13 ILE 62 0.544 7.869 -2.749 498 H THR 63 HN THR 63 -0.773 9.966 -8.093 499 HA THR 63 HA THR 63 -3.428 11.188 -7.724 500 HB THR 63 HB THR 63 -2.289 12.490 -9.380 501 HG1 THR 63 HG1 THR 63 -4.035 10.631 -10.651 502 HG21 THR 63 HG21 THR 63 -1.293 11.525 -11.401 503 HG22 THR 63 HG22 THR 63 -1.654 9.904 -10.806 504 HG23 THR 63 HG23 THR 63 -0.502 10.923 -9.944 505 HA PRO 64 HA PRO 64 -5.038 7.098 -8.382 506 HB2 PRO 64 HB2 PRO 64 -7.436 8.265 -9.585 507 HB3 PRO 64 HB1 PRO 64 -7.264 7.391 -8.060 508 HG2 PRO 64 HG2 PRO 64 -7.773 10.039 -8.161 509 HG3 PRO 64 HG1 PRO 64 -6.857 9.280 -6.846 510 HD2 PRO 64 HD2 PRO 64 -5.869 10.871 -9.161 511 HD3 PRO 64 HD1 PRO 64 -5.286 10.819 -7.486 512 H GLY 65 HN GLY 65 -4.933 5.611 -9.989 513 HA2 GLY 65 HA2 GLY 65 -5.506 4.946 -12.259 514 HA3 GLY 65 HA1 GLY 65 -5.138 6.587 -12.767 515 H SER 66 HN SER 66 -2.891 5.667 -10.508 516 HA SER 66 HA SER 66 -0.939 5.085 -12.615 517 HB2 SER 66 HB2 SER 66 -0.571 6.996 -10.989 518 HB3 SER 66 HB1 SER 66 -0.369 5.782 -9.727 519 HG SER 66 HG SER 66 1.170 5.859 -12.106 520 H THR 67 HN THR 67 0.874 3.580 -11.927 521 HA THR 67 HA THR 67 -0.327 1.118 -10.920 522 HB THR 67 HB THR 67 1.905 0.128 -11.715 523 HG1 THR 67 HG1 THR 67 3.187 1.408 -12.953 524 HG21 THR 67 HG21 THR 67 0.133 1.473 -13.759 525 HG22 THR 67 HG22 THR 67 -0.209 -0.064 -12.967 526 HG23 THR 67 HG23 THR 67 1.182 0.083 -14.041 527 H ILE 68 HN ILE 68 0.005 0.451 -8.893 528 HA ILE 68 HA ILE 68 2.357 1.495 -7.447 529 HB ILE 68 HB ILE 68 -0.226 0.597 -6.174 530 HG12 ILE 68 HG12 ILE 68 -0.008 3.325 -5.777 531 HG13 ILE 68 HG11 ILE 68 0.496 3.126 -7.450 532 HG21 ILE 68 HG21 ILE 68 1.694 0.447 -4.705 533 HG22 ILE 68 HG22 ILE 68 0.663 1.788 -4.207 534 HG23 ILE 68 HG23 ILE 68 2.153 2.104 -5.095 535 HD11 ILE 68 HD11 ILE 68 -1.587 2.065 -7.998 536 HD12 ILE 68 HD12 ILE 68 -1.904 3.603 -7.195 537 HD13 ILE 68 HD13 ILE 68 -2.085 2.089 -6.307 538 H THR 69 HN THR 69 3.718 0.071 -6.497 539 HA THR 69 HA THR 69 3.004 -2.777 -6.647 540 HB THR 69 HB THR 69 5.735 -2.757 -6.487 541 HG1 THR 69 HG1 THR 69 5.006 -0.640 -8.251 542 HG21 THR 69 HG21 THR 69 4.069 -2.681 -9.006 543 HG22 THR 69 HG22 THR 69 4.362 -4.107 -8.014 544 HG23 THR 69 HG23 THR 69 5.700 -3.338 -8.868 545 H LEU 70 HN LEU 70 2.987 -3.884 -4.790 546 HA LEU 70 HA LEU 70 3.988 -2.530 -2.386 547 HB2 LEU 70 HB2 LEU 70 2.525 -3.958 -1.116 548 HB3 LEU 70 HB1 LEU 70 1.620 -3.200 -2.411 549 HG LEU 70 HG LEU 70 2.401 -5.582 -3.546 550 HD11 LEU 70 HD11 LEU 70 1.687 -6.068 -0.658 551 HD12 LEU 70 HD12 LEU 70 3.216 -6.458 -1.447 552 HD13 LEU 70 HD13 LEU 70 1.741 -7.302 -1.916 553 HD21 LEU 70 HD21 LEU 70 -0.108 -4.642 -2.205 554 HD22 LEU 70 HD22 LEU 70 -0.018 -6.234 -2.958 555 HD23 LEU 70 HD23 LEU 70 0.248 -4.785 -3.927 556 H GLU 71 HN GLU 71 5.026 -3.828 -0.723 557 HA GLU 71 HA GLU 71 6.375 -6.245 -1.677 558 HB2 GLU 71 HB2 GLU 71 7.737 -3.751 -0.679 559 HB3 GLU 71 HB1 GLU 71 8.515 -5.323 -0.600 560 HG2 GLU 71 HG2 GLU 71 8.345 -5.545 -3.017 561 HG3 GLU 71 HG1 GLU 71 7.537 -3.981 -3.109 562 H ILE 72 HN ILE 72 7.064 -7.654 -0.054 563 HA ILE 72 HA ILE 72 6.264 -6.978 2.700 564 HB ILE 72 HB ILE 72 5.891 -9.745 1.569 565 HG12 ILE 72 HG12 ILE 72 3.346 -8.747 1.864 566 HG13 ILE 72 HG11 ILE 72 4.207 -7.374 1.176 567 HG21 ILE 72 HG21 ILE 72 4.403 -10.019 3.489 568 HG22 ILE 72 HG22 ILE 72 4.725 -8.356 3.977 569 HG23 ILE 72 HG23 ILE 72 6.025 -9.549 3.993 570 HD11 ILE 72 HD11 ILE 72 3.134 -8.794 -0.518 571 HD12 ILE 72 HD12 ILE 72 4.151 -10.141 -0.008 572 HD13 ILE 72 HD13 ILE 72 4.884 -8.702 -0.717 573 H LYS 73 HN LYS 73 7.588 -7.790 4.315 574 HA LYS 73 HA LYS 73 10.113 -8.951 3.370 575 HB2 LYS 73 HB2 LYS 73 10.992 -8.204 5.613 576 HB3 LYS 73 HB1 LYS 73 10.510 -6.911 4.521 577 HG2 LYS 73 HG2 LYS 73 8.398 -6.677 5.726 578 HG3 LYS 73 HG1 LYS 73 8.877 -7.980 6.815 579 HD2 LYS 73 HD2 LYS 73 10.795 -6.655 7.555 580 HD3 LYS 73 HD1 LYS 73 10.313 -5.350 6.468 581 HE2 LYS 73 HE2 LYS 73 8.492 -6.432 8.601 582 HE3 LYS 73 HE1 LYS 73 9.639 -5.131 8.915 583 HZ1 LYS 73 HZ1 LYS 73 8.566 -3.821 7.189 584 HZ2 LYS 73 HZ2 LYS 73 7.447 -4.275 8.374 585 HZ3 LYS 73 HZ3 LYS 73 7.469 -5.074 6.884 586 H LYS 74 HN LYS 74 11.034 -10.734 4.397 587 HA LYS 74 HA LYS 74 9.221 -12.245 6.160 588 HB2 LYS 74 HB2 LYS 74 10.822 -13.197 3.796 589 HB3 LYS 74 HB1 LYS 74 10.286 -14.307 5.051 590 HG2 LYS 74 HG2 LYS 74 7.965 -13.691 4.609 591 HG3 LYS 74 HG1 LYS 74 8.501 -12.569 3.357 592 HD2 LYS 74 HD2 LYS 74 9.488 -14.449 2.119 593 HD3 LYS 74 HD1 LYS 74 8.909 -15.559 3.364 594 HE2 LYS 74 HE2 LYS 74 6.603 -14.905 2.870 595 HE3 LYS 74 HE1 LYS 74 7.182 -13.794 1.630 596 HZ1 LYS 74 HZ1 LYS 74 7.536 -16.743 1.613 597 HZ2 LYS 74 HZ2 LYS 74 8.094 -15.681 0.422 598 HZ3 LYS 74 HZ3 LYS 74 6.433 -15.876 0.669 599 H LYS 75 HN LYS 75 12.577 -11.839 5.096 600 HA LYS 75 HA LYS 75 13.523 -12.998 7.613 601 HB2 LYS 75 HB2 LYS 75 14.859 -12.377 4.990 602 HB3 LYS 75 HB1 LYS 75 15.791 -12.761 6.431 603 HG2 LYS 75 HG2 LYS 75 14.659 -14.925 6.581 604 HG3 LYS 75 HG1 LYS 75 13.737 -14.539 5.126 605 HD2 LYS 75 HD2 LYS 75 15.831 -14.375 3.855 606 HD3 LYS 75 HD1 LYS 75 16.742 -14.780 5.311 607 HE2 LYS 75 HE2 LYS 75 15.603 -16.946 5.415 608 HE3 LYS 75 HE1 LYS 75 14.693 -16.536 3.963 609 HZ1 LYS 75 HZ1 LYS 75 16.582 -17.947 3.450 610 HZ2 LYS 75 HZ2 LYS 75 17.644 -16.819 4.128 611 HZ3 LYS 75 HZ3 LYS 75 16.772 -16.424 2.735 612 H GLY 76 HN GLY 76 14.463 -11.822 9.180 613 HA2 GLY 76 HA2 GLY 76 16.047 -9.784 9.389 614 HA3 GLY 76 HA1 GLY 76 14.665 -8.918 8.735 615 H GLY 77 HN GLY 77 12.543 -9.930 10.053 616 HA2 GLY 77 HA2 GLY 77 13.102 -9.085 12.810 617 HA3 GLY 77 HA1 GLY 77 11.526 -9.068 12.033 618 H LEU 78 HN LEU 78 11.353 -11.618 11.043 619 HA LEU 78 HA LEU 78 11.133 -13.153 13.525 620 HB2 LEU 78 HB2 LEU 78 9.810 -13.453 10.833 621 HB3 LEU 78 HB1 LEU 78 9.657 -14.647 12.108 622 HG LEU 78 HG LEU 78 8.953 -12.270 13.354 623 HD11 LEU 78 HD11 LEU 78 7.249 -11.293 11.904 624 HD12 LEU 78 HD12 LEU 78 7.749 -12.360 10.593 625 HD13 LEU 78 HD13 LEU 78 8.860 -11.134 11.200 626 HD21 LEU 78 HD21 LEU 78 7.916 -14.450 13.686 627 HD22 LEU 78 HD22 LEU 78 7.193 -14.362 12.080 628 HD23 LEU 78 HD23 LEU 78 6.698 -13.224 13.332 629 H GLU 79 HN GLU 79 12.450 -14.793 13.938 630 HA GLU 79 HA GLU 79 13.953 -15.982 11.699 631 HB2 GLU 79 HB2 GLU 79 14.846 -15.302 14.493 632 HB3 GLU 79 HB1 GLU 79 15.719 -16.458 13.497 633 HG2 GLU 79 HG2 GLU 79 16.075 -14.729 11.805 634 HG3 GLU 79 HG1 GLU 79 15.202 -13.572 12.808 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -11.418 10.756 -11.600 2 H2 MET 1 HT2 MET 1 -10.336 10.494 -12.872 3 H3 MET 1 HT3 MET 1 -9.756 10.939 -11.346 4 HA MET 1 HA MET 1 -11.151 8.410 -11.991 5 HB2 MET 1 HB2 MET 1 -8.244 9.071 -11.524 6 HB3 MET 1 HB1 MET 1 -8.874 7.433 -11.403 7 HG2 MET 1 HG2 MET 1 -9.036 9.168 -13.859 8 HG3 MET 1 HG1 MET 1 -7.825 7.919 -13.578 9 HE1 MET 1 HE1 MET 1 -10.078 6.311 -16.347 10 HE2 MET 1 HE2 MET 1 -8.435 6.751 -15.883 11 HE3 MET 1 HE3 MET 1 -9.629 8.009 -16.193 12 H ASP 2 HN ASP 2 -11.196 6.903 -10.258 13 HA ASP 2 HA ASP 2 -10.726 7.998 -7.578 14 HB2 ASP 2 HB2 ASP 2 -12.936 6.959 -6.879 15 HB3 ASP 2 HB1 ASP 2 -13.054 8.411 -7.868 16 H THR 3 HN THR 3 -10.470 5.473 -9.774 17 HA THR 3 HA THR 3 -10.100 3.469 -7.654 18 HB THR 3 HB THR 3 -10.106 1.827 -9.615 19 HG1 THR 3 HG1 THR 3 -11.656 3.379 -11.180 20 HG21 THR 3 HG21 THR 3 -12.618 3.404 -9.044 21 HG22 THR 3 HG22 THR 3 -11.993 2.071 -8.074 22 HG23 THR 3 HG23 THR 3 -12.552 1.777 -9.721 23 H ILE 4 HN ILE 4 -8.253 2.181 -7.621 24 HA ILE 4 HA ILE 4 -6.007 3.072 -9.297 25 HB ILE 4 HB ILE 4 -4.539 2.665 -7.250 26 HG12 ILE 4 HG12 ILE 4 -6.886 3.395 -5.570 27 HG13 ILE 4 HG11 ILE 4 -6.740 1.710 -6.062 28 HG21 ILE 4 HG21 ILE 4 -4.936 4.946 -6.380 29 HG22 ILE 4 HG22 ILE 4 -6.428 5.009 -7.317 30 HG23 ILE 4 HG23 ILE 4 -4.876 4.874 -8.141 31 HD11 ILE 4 HD11 ILE 4 -4.647 3.293 -4.587 32 HD12 ILE 4 HD12 ILE 4 -4.538 1.593 -5.047 33 HD13 ILE 4 HD13 ILE 4 -5.748 2.114 -3.875 34 H ASN 5 HN ASN 5 -4.303 1.521 -9.528 35 HA ASN 5 HA ASN 5 -5.255 -1.240 -9.205 36 HB2 ASN 5 HB2 ASN 5 -4.781 -1.396 -11.398 37 HB3 ASN 5 HB1 ASN 5 -4.026 0.183 -11.408 38 HD21 ASN 5 HD21 ASN 5 -1.883 0.331 -11.478 39 HD22 ASN 5 HD22 ASN 5 -0.822 -1.028 -11.548 40 H ILE 6 HN ILE 6 -4.186 -2.557 -7.875 41 HA ILE 6 HA ILE 6 -1.560 -1.656 -6.888 42 HB ILE 6 HB ILE 6 -3.487 -3.392 -5.346 43 HG12 ILE 6 HG12 ILE 6 -3.420 -0.979 -4.035 44 HG13 ILE 6 HG11 ILE 6 -3.431 -0.478 -5.723 45 HG21 ILE 6 HG21 ILE 6 -1.033 -1.846 -4.527 46 HG22 ILE 6 HG22 ILE 6 -1.166 -3.599 -4.675 47 HG23 ILE 6 HG23 ILE 6 -2.085 -2.745 -3.434 48 HD11 ILE 6 HD11 ILE 6 -5.438 -2.318 -4.441 49 HD12 ILE 6 HD12 ILE 6 -5.466 -1.731 -6.102 50 HD13 ILE 6 HD13 ILE 6 -5.676 -0.600 -4.766 51 H THR 7 HN THR 7 -0.015 -2.836 -7.768 52 HA THR 7 HA THR 7 -0.516 -5.597 -8.529 53 HB THR 7 HB THR 7 2.177 -4.363 -8.848 54 HG1 THR 7 HG1 THR 7 1.184 -3.500 -10.925 55 HG21 THR 7 HG21 THR 7 0.433 -6.094 -10.604 56 HG22 THR 7 HG22 THR 7 1.779 -6.644 -9.607 57 HG23 THR 7 HG23 THR 7 2.078 -5.585 -10.986 58 H LEU 8 HN LEU 8 0.022 -7.286 -7.317 59 HA LEU 8 HA LEU 8 1.698 -6.871 -4.967 60 HB2 LEU 8 HB2 LEU 8 -0.665 -8.289 -5.514 61 HB3 LEU 8 HB1 LEU 8 0.564 -9.491 -5.264 62 HG LEU 8 HG LEU 8 1.073 -8.016 -3.114 63 HD11 LEU 8 HD11 LEU 8 -1.849 -7.514 -3.651 64 HD12 LEU 8 HD12 LEU 8 -0.569 -6.302 -3.631 65 HD13 LEU 8 HD13 LEU 8 -1.000 -7.153 -2.148 66 HD21 LEU 8 HD21 LEU 8 -0.414 -9.508 -1.848 67 HD22 LEU 8 HD22 LEU 8 0.515 -10.369 -3.074 68 HD23 LEU 8 HD23 LEU 8 -1.186 -9.997 -3.356 69 HA PRO 9 HA PRO 9 5.055 -9.258 -6.645 70 HB2 PRO 9 HB2 PRO 9 5.356 -10.779 -4.157 71 HB3 PRO 9 HB1 PRO 9 6.441 -9.577 -4.870 72 HG2 PRO 9 HG2 PRO 9 5.045 -9.079 -2.626 73 HG3 PRO 9 HG1 PRO 9 5.437 -7.817 -3.807 74 HD2 PRO 9 HD2 PRO 9 2.864 -9.274 -3.392 75 HD3 PRO 9 HD1 PRO 9 3.147 -7.559 -3.751 76 H ASP 10 HN ASP 10 2.144 -10.631 -5.800 77 HA ASP 10 HA ASP 10 2.934 -13.390 -6.329 78 HB2 ASP 10 HB2 ASP 10 0.347 -12.088 -5.508 79 HB3 ASP 10 HB1 ASP 10 0.424 -13.781 -5.987 80 H GLY 11 HN GLY 11 1.751 -10.662 -8.004 81 HA2 GLY 11 HA2 GLY 11 1.761 -10.621 -10.391 82 HA3 GLY 11 HA1 GLY 11 1.376 -12.332 -10.391 83 H LYS 12 HN LYS 12 -0.552 -10.807 -8.118 84 HA LYS 12 HA LYS 12 -2.734 -10.617 -10.081 85 HB2 LYS 12 HB2 LYS 12 -4.254 -10.955 -8.099 86 HB3 LYS 12 HB1 LYS 12 -3.257 -12.336 -8.528 87 HG2 LYS 12 HG2 LYS 12 -1.719 -11.797 -6.710 88 HG3 LYS 12 HG1 LYS 12 -2.709 -10.398 -6.288 89 HD2 LYS 12 HD2 LYS 12 -4.621 -11.920 -5.893 90 HD3 LYS 12 HD1 LYS 12 -3.561 -13.293 -6.214 91 HE2 LYS 12 HE2 LYS 12 -2.901 -11.264 -4.107 92 HE3 LYS 12 HE1 LYS 12 -3.980 -12.618 -3.770 93 HZ1 LYS 12 HZ1 LYS 12 -1.733 -13.163 -3.147 94 HZ2 LYS 12 HZ2 LYS 12 -1.168 -12.813 -4.702 95 HZ3 LYS 12 HZ3 LYS 12 -2.200 -14.128 -4.455 96 H THR 13 HN THR 13 -4.031 -8.854 -10.159 97 HA THR 13 HA THR 13 -3.116 -6.520 -8.622 98 HB THR 13 HB THR 13 -4.298 -5.212 -10.472 99 HG1 THR 13 HG1 THR 13 -4.055 -7.689 -11.859 100 HG21 THR 13 HG21 THR 13 -1.878 -5.350 -10.356 101 HG22 THR 13 HG22 THR 13 -2.399 -5.480 -12.036 102 HG23 THR 13 HG23 THR 13 -1.905 -6.925 -11.150 103 H LEU 14 HN LEU 14 -4.666 -5.044 -7.802 104 HA LEU 14 HA LEU 14 -7.408 -6.085 -7.618 105 HB2 LEU 14 HB2 LEU 14 -5.533 -5.386 -5.424 106 HB3 LEU 14 HB1 LEU 14 -7.227 -4.989 -5.210 107 HG LEU 14 HG LEU 14 -6.744 -7.733 -6.132 108 HD11 LEU 14 HD11 LEU 14 -4.803 -7.454 -4.692 109 HD12 LEU 14 HD12 LEU 14 -5.986 -8.545 -3.968 110 HD13 LEU 14 HD13 LEU 14 -5.845 -6.886 -3.387 111 HD21 LEU 14 HD21 LEU 14 -8.323 -6.556 -3.847 112 HD22 LEU 14 HD22 LEU 14 -8.415 -8.221 -4.425 113 HD23 LEU 14 HD23 LEU 14 -8.942 -6.898 -5.463 114 H THR 15 HN THR 15 -9.039 -4.523 -7.351 115 HA THR 15 HA THR 15 -8.197 -1.783 -8.020 116 HB THR 15 HB THR 15 -11.018 -2.698 -8.388 117 HG1 THR 15 HG1 THR 15 -8.957 -3.185 -10.294 118 HG21 THR 15 HG21 THR 15 -10.880 -1.155 -10.310 119 HG22 THR 15 HG22 THR 15 -9.193 -0.833 -9.909 120 HG23 THR 15 HG23 THR 15 -10.470 -0.364 -8.787 121 H LEU 16 HN LEU 16 -8.453 -0.279 -6.500 122 HA LEU 16 HA LEU 16 -10.577 -0.651 -4.503 123 HB2 LEU 16 HB2 LEU 16 -8.221 -1.257 -3.703 124 HB3 LEU 16 HB1 LEU 16 -7.875 0.457 -3.794 125 HG LEU 16 HG LEU 16 -9.999 0.666 -2.256 126 HD11 LEU 16 HD11 LEU 16 -10.190 -1.234 -0.714 127 HD12 LEU 16 HD12 LEU 16 -9.072 -2.153 -1.721 128 HD13 LEU 16 HD13 LEU 16 -10.642 -1.671 -2.361 129 HD21 LEU 16 HD21 LEU 16 -7.325 -0.320 -1.262 130 HD22 LEU 16 HD22 LEU 16 -8.536 0.523 -0.295 131 HD23 LEU 16 HD23 LEU 16 -7.745 1.352 -1.637 132 H THR 17 HN THR 17 -11.422 1.261 -3.585 133 HA THR 17 HA THR 17 -11.012 3.638 -5.261 134 HB THR 17 HB THR 17 -13.295 3.410 -3.342 135 HG1 THR 17 HG1 THR 17 -13.237 1.415 -4.542 136 HG21 THR 17 HG21 THR 17 -13.028 4.578 -6.116 137 HG22 THR 17 HG22 THR 17 -12.949 5.484 -4.605 138 HG23 THR 17 HG23 THR 17 -14.451 4.689 -5.082 139 H VAL 18 HN VAL 18 -9.889 5.288 -4.415 140 HA VAL 18 HA VAL 18 -9.962 5.674 -1.495 141 HB VAL 18 HB VAL 18 -7.543 6.399 -1.633 142 HG11 VAL 18 HG11 VAL 18 -8.391 3.550 -2.045 143 HG12 VAL 18 HG12 VAL 18 -7.944 4.368 -0.546 144 HG13 VAL 18 HG13 VAL 18 -6.709 3.986 -1.746 145 HG21 VAL 18 HG21 VAL 18 -6.306 5.197 -3.550 146 HG22 VAL 18 HG22 VAL 18 -7.115 6.724 -3.902 147 HG23 VAL 18 HG23 VAL 18 -7.872 5.200 -4.363 148 H THR 19 HN THR 19 -8.989 7.866 -0.893 149 HA THR 19 HA THR 19 -9.569 9.899 -2.937 150 HB THR 19 HB THR 19 -10.650 11.292 -1.094 151 HG1 THR 19 HG1 THR 19 -11.213 8.830 0.163 152 HG21 THR 19 HG21 THR 19 -11.983 10.321 -2.878 153 HG22 THR 19 HG22 THR 19 -12.854 10.210 -1.349 154 HG23 THR 19 HG23 THR 19 -12.059 8.784 -2.016 155 HA PRO 20 HA PRO 20 -5.971 12.002 -1.473 156 HB2 PRO 20 HB2 PRO 20 -7.445 14.545 -1.258 157 HB3 PRO 20 HB1 PRO 20 -6.101 14.115 -2.324 158 HG2 PRO 20 HG2 PRO 20 -8.571 14.423 -3.286 159 HG3 PRO 20 HG1 PRO 20 -7.469 13.189 -3.929 160 HD2 PRO 20 HD2 PRO 20 -9.753 12.873 -2.027 161 HD3 PRO 20 HD1 PRO 20 -9.269 11.845 -3.393 162 H GLU 21 HN GLU 21 -8.832 12.042 0.419 163 HA GLU 21 HA GLU 21 -7.590 13.374 2.684 164 HB2 GLU 21 HB2 GLU 21 -10.129 13.396 1.884 165 HB3 GLU 21 HB1 GLU 21 -10.212 11.986 2.932 166 HG2 GLU 21 HG2 GLU 21 -9.396 13.305 4.801 167 HG3 GLU 21 HG1 GLU 21 -9.254 14.717 3.756 168 H PHE 22 HN PHE 22 -7.550 10.317 1.398 169 HA PHE 22 HA PHE 22 -7.626 8.813 3.841 170 HB2 PHE 22 HB2 PHE 22 -7.450 8.293 0.969 171 HB3 PHE 22 HB1 PHE 22 -6.443 7.236 1.915 172 HD1 PHE 22 HD1 PHE 22 -9.898 8.603 1.949 173 HD2 PHE 22 HD2 PHE 22 -7.362 5.259 2.642 174 HE1 PHE 22 HE1 PHE 22 -11.869 7.222 2.467 175 HE2 PHE 22 HE2 PHE 22 -9.326 3.873 3.163 176 HZ PHE 22 HZ PHE 22 -11.583 4.854 3.075 177 H THR 23 HN THR 23 -5.889 8.078 5.002 178 HA THR 23 HA THR 23 -3.330 9.359 4.437 179 HB THR 23 HB THR 23 -2.683 8.261 6.667 180 HG1 THR 23 HG1 THR 23 -4.142 6.895 7.368 181 HG21 THR 23 HG21 THR 23 -3.174 10.622 6.524 182 HG22 THR 23 HG22 THR 23 -3.915 9.967 7.984 183 HG23 THR 23 HG23 THR 23 -4.908 10.302 6.563 184 H VAL 24 HN VAL 24 -1.318 7.953 4.853 185 HA VAL 24 HA VAL 24 -1.337 5.798 3.012 186 HB VAL 24 HB VAL 24 0.794 6.340 5.087 187 HG11 VAL 24 HG11 VAL 24 0.900 4.996 2.385 188 HG12 VAL 24 HG12 VAL 24 1.019 4.199 3.954 189 HG13 VAL 24 HG13 VAL 24 2.286 5.307 3.430 190 HG21 VAL 24 HG21 VAL 24 0.279 8.382 3.831 191 HG22 VAL 24 HG22 VAL 24 0.526 7.510 2.319 192 HG23 VAL 24 HG23 VAL 24 1.877 7.755 3.426 193 H LYS 25 HN LYS 25 -1.587 6.022 6.492 194 HA LYS 25 HA LYS 25 -1.274 3.247 7.042 195 HB2 LYS 25 HB2 LYS 25 -1.132 5.353 8.605 196 HB3 LYS 25 HB1 LYS 25 -2.857 5.072 8.806 197 HG2 LYS 25 HG2 LYS 25 -2.420 2.830 9.625 198 HG3 LYS 25 HG1 LYS 25 -0.688 3.063 9.371 199 HD2 LYS 25 HD2 LYS 25 -0.694 4.889 10.998 200 HD3 LYS 25 HD1 LYS 25 -2.427 4.666 11.246 201 HE2 LYS 25 HE2 LYS 25 -2.013 2.393 12.052 202 HE3 LYS 25 HE1 LYS 25 -0.281 2.620 11.806 203 HZ1 LYS 25 HZ1 LYS 25 -0.890 2.959 14.113 204 HZ2 LYS 25 HZ2 LYS 25 -1.981 4.177 13.679 205 HZ3 LYS 25 HZ3 LYS 25 -0.322 4.403 13.437 206 H GLU 26 HN GLU 26 -3.986 5.302 6.218 207 HA GLU 26 HA GLU 26 -6.022 3.423 6.903 208 HB2 GLU 26 HB2 GLU 26 -6.051 6.062 6.395 209 HB3 GLU 26 HB1 GLU 26 -6.569 5.462 4.825 210 HG2 GLU 26 HG2 GLU 26 -8.523 4.564 5.668 211 HG3 GLU 26 HG1 GLU 26 -7.898 4.484 7.315 212 H LEU 27 HN LEU 27 -4.632 4.489 3.793 213 HA LEU 27 HA LEU 27 -6.020 2.735 2.142 214 HB2 LEU 27 HB2 LEU 27 -4.526 4.700 1.538 215 HB3 LEU 27 HB1 LEU 27 -3.172 3.607 1.727 216 HG LEU 27 HG LEU 27 -5.353 2.772 -0.117 217 HD11 LEU 27 HD11 LEU 27 -5.070 5.122 -0.681 218 HD12 LEU 27 HD12 LEU 27 -4.407 4.087 -1.945 219 HD13 LEU 27 HD13 LEU 27 -3.326 4.893 -0.810 220 HD21 LEU 27 HD21 LEU 27 -3.445 1.314 0.260 221 HD22 LEU 27 HD22 LEU 27 -2.342 2.604 -0.220 222 HD23 LEU 27 HD23 LEU 27 -3.450 1.906 -1.400 223 H ALA 28 HN ALA 28 -3.106 2.241 4.056 224 HA ALA 28 HA ALA 28 -2.429 -0.287 2.938 225 HB1 ALA 28 HB1 ALA 28 -0.823 -0.453 4.748 226 HB2 ALA 28 HB2 ALA 28 -1.594 0.903 5.574 227 HB3 ALA 28 HB3 ALA 28 -0.782 1.160 4.030 228 H GLU 29 HN GLU 29 -4.361 0.698 5.743 229 HA GLU 29 HA GLU 29 -4.576 -1.941 6.802 230 HB2 GLU 29 HB2 GLU 29 -5.961 -1.049 8.450 231 HB3 GLU 29 HB1 GLU 29 -4.901 0.287 8.037 232 HG2 GLU 29 HG2 GLU 29 -6.700 1.163 6.554 233 HG3 GLU 29 HG1 GLU 29 -7.756 -0.107 7.178 234 H GLU 30 HN GLU 30 -6.288 -0.207 4.340 235 HA GLU 30 HA GLU 30 -8.636 -1.842 4.381 236 HB2 GLU 30 HB2 GLU 30 -7.650 0.426 2.853 237 HB3 GLU 30 HB1 GLU 30 -8.438 -0.762 1.822 238 HG2 GLU 30 HG2 GLU 30 -10.103 0.775 2.462 239 HG3 GLU 30 HG1 GLU 30 -10.389 -0.689 3.403 240 H ILE 31 HN ILE 31 -5.734 -1.725 2.318 241 HA ILE 31 HA ILE 31 -6.510 -3.941 0.722 242 HB ILE 31 HB ILE 31 -4.885 -2.207 -0.022 243 HG12 ILE 31 HG12 ILE 31 -3.145 -4.054 -0.836 244 HG13 ILE 31 HG11 ILE 31 -4.371 -5.136 -0.180 245 HG21 ILE 31 HG21 ILE 31 -3.616 -2.103 2.121 246 HG22 ILE 31 HG22 ILE 31 -2.604 -2.240 0.684 247 HG23 ILE 31 HG23 ILE 31 -2.883 -3.653 1.701 248 HD11 ILE 31 HD11 ILE 31 -4.638 -4.730 -2.584 249 HD12 ILE 31 HD12 ILE 31 -4.875 -3.015 -2.250 250 HD13 ILE 31 HD13 ILE 31 -6.035 -4.197 -1.646 251 H ALA 32 HN ALA 32 -4.679 -3.631 3.699 252 HA ALA 32 HA ALA 32 -3.574 -6.247 3.706 253 HB1 ALA 32 HB1 ALA 32 -4.093 -4.415 6.039 254 HB2 ALA 32 HB2 ALA 32 -2.640 -4.420 5.038 255 HB3 ALA 32 HB3 ALA 32 -3.031 -5.824 6.035 256 H ARG 33 HN ARG 33 -6.655 -4.952 4.672 257 HA ARG 33 HA ARG 33 -7.467 -7.031 6.396 258 HB2 ARG 33 HB2 ARG 33 -8.506 -4.611 5.529 259 HB3 ARG 33 HB1 ARG 33 -9.649 -5.805 4.925 260 HG2 ARG 33 HG2 ARG 33 -9.984 -6.673 7.146 261 HG3 ARG 33 HG1 ARG 33 -8.736 -5.599 7.786 262 HD2 ARG 33 HD2 ARG 33 -10.093 -3.662 7.076 263 HD3 ARG 33 HD1 ARG 33 -11.357 -4.773 6.549 264 HE ARG 33 HE ARG 33 -10.837 -5.400 9.183 265 HH11 ARG 33 HH12 ARG 33 -11.932 -2.611 7.401 266 HH12 ARG 33 HH11 ARG 33 -12.882 -1.989 8.710 267 HH21 ARG 33 HH21 ARG 33 -12.080 -4.589 10.908 268 HH22 ARG 33 HH22 ARG 33 -12.964 -3.114 10.705 269 H ARG 34 HN ARG 34 -7.589 -6.683 2.906 270 HA ARG 34 HA ARG 34 -9.338 -8.957 2.564 271 HB2 ARG 34 HB2 ARG 34 -7.962 -7.059 0.700 272 HB3 ARG 34 HB1 ARG 34 -8.632 -8.563 0.082 273 HG2 ARG 34 HG2 ARG 34 -10.410 -7.177 -0.242 274 HG3 ARG 34 HG1 ARG 34 -10.773 -7.760 1.384 275 HD2 ARG 34 HD2 ARG 34 -9.789 -5.765 2.347 276 HD3 ARG 34 HD1 ARG 34 -9.319 -5.194 0.748 277 HE ARG 34 HE ARG 34 -11.963 -5.427 0.469 278 HH11 ARG 34 HH12 ARG 34 -10.048 -4.003 3.011 279 HH12 ARG 34 HH11 ARG 34 -11.244 -2.820 3.429 280 HH21 ARG 34 HH22 ARG 34 -13.536 -3.850 0.996 281 HH22 ARG 34 HH21 ARG 34 -13.224 -2.734 2.282 282 H LEU 35 HN LEU 35 -5.938 -8.430 2.786 283 HA LEU 35 HA LEU 35 -5.364 -11.008 1.523 284 HB2 LEU 35 HB2 LEU 35 -3.567 -8.780 2.460 285 HB3 LEU 35 HB1 LEU 35 -2.967 -10.313 1.854 286 HG LEU 35 HG LEU 35 -4.839 -8.742 0.139 287 HD11 LEU 35 HD11 LEU 35 -3.239 -7.071 0.880 288 HD12 LEU 35 HD12 LEU 35 -2.954 -7.498 -0.808 289 HD13 LEU 35 HD13 LEU 35 -1.903 -8.141 0.455 290 HD21 LEU 35 HD21 LEU 35 -2.450 -10.496 -0.424 291 HD22 LEU 35 HD22 LEU 35 -3.487 -9.745 -1.638 292 HD23 LEU 35 HD23 LEU 35 -4.144 -10.971 -0.553 293 H GLY 36 HN GLY 36 -5.752 -9.607 4.610 294 HA2 GLY 36 HA2 GLY 36 -5.811 -10.648 6.670 295 HA3 GLY 36 HA1 GLY 36 -5.303 -12.138 5.889 296 H LEU 37 HN LEU 37 -3.716 -8.943 6.093 297 HA LEU 37 HA LEU 37 -1.520 -10.238 7.564 298 HB2 LEU 37 HB2 LEU 37 -1.070 -8.151 5.449 299 HB3 LEU 37 HB1 LEU 37 0.135 -9.111 6.278 300 HG LEU 37 HG LEU 37 -1.900 -10.527 4.620 301 HD11 LEU 37 HD11 LEU 37 -0.459 -10.276 2.643 302 HD12 LEU 37 HD12 LEU 37 0.507 -9.087 3.516 303 HD13 LEU 37 HD13 LEU 37 -1.184 -8.749 3.146 304 HD21 LEU 37 HD21 LEU 37 -0.329 -11.798 5.978 305 HD22 LEU 37 HD22 LEU 37 1.024 -10.980 5.198 306 HD23 LEU 37 HD23 LEU 37 -0.018 -12.051 4.260 307 H SER 38 HN SER 38 0.090 -8.378 8.267 308 HA SER 38 HA SER 38 -1.561 -6.393 9.675 309 HB2 SER 38 HB2 SER 38 0.585 -6.246 11.157 310 HB3 SER 38 HB1 SER 38 -0.489 -7.632 11.344 311 HG SER 38 HG SER 38 2.062 -7.690 10.817 312 HA PRO 39 HA PRO 39 0.175 -3.274 7.020 313 HB2 PRO 39 HB2 PRO 39 -0.582 -1.471 9.243 314 HB3 PRO 39 HB1 PRO 39 -1.066 -1.428 7.543 315 HG2 PRO 39 HG2 PRO 39 -2.776 -2.211 9.424 316 HG3 PRO 39 HG1 PRO 39 -2.746 -2.983 7.827 317 HD2 PRO 39 HD2 PRO 39 -1.663 -3.974 10.422 318 HD3 PRO 39 HD1 PRO 39 -2.478 -4.862 9.119 319 H GLU 40 HN GLU 40 1.207 -3.849 10.280 320 HA GLU 40 HA GLU 40 3.262 -1.861 10.347 321 HB2 GLU 40 HB2 GLU 40 2.614 -4.255 12.044 322 HB3 GLU 40 HB1 GLU 40 4.055 -3.288 12.330 323 HG2 GLU 40 HG2 GLU 40 2.663 -1.311 12.670 324 HG3 GLU 40 HG1 GLU 40 1.218 -2.278 12.375 325 H ASP 41 HN ASP 41 2.999 -4.890 8.836 326 HA ASP 41 HA ASP 41 5.928 -5.180 8.689 327 HB2 ASP 41 HB2 ASP 41 3.695 -7.182 8.388 328 HB3 ASP 41 HB1 ASP 41 5.327 -7.523 7.821 329 H ILE 42 HN ILE 42 3.108 -4.462 6.861 330 HA ILE 42 HA ILE 42 4.375 -5.033 4.305 331 HB ILE 42 HB ILE 42 1.807 -3.535 4.445 332 HG12 ILE 42 HG12 ILE 42 1.916 -6.517 4.902 333 HG13 ILE 42 HG11 ILE 42 1.709 -5.356 6.205 334 HG21 ILE 42 HG21 ILE 42 2.729 -4.058 2.292 335 HG22 ILE 42 HG22 ILE 42 1.282 -5.033 2.543 336 HG23 ILE 42 HG23 ILE 42 2.879 -5.760 2.723 337 HD11 ILE 42 HD11 ILE 42 -0.311 -4.513 4.912 338 HD12 ILE 42 HD12 ILE 42 -0.444 -6.087 5.696 339 HD13 ILE 42 HD13 ILE 42 -0.164 -5.988 3.958 340 H LYS 43 HN LYS 43 5.063 -3.518 2.839 341 HA LYS 43 HA LYS 43 4.904 -0.702 3.640 342 HB2 LYS 43 HB2 LYS 43 7.213 -2.168 3.880 343 HB3 LYS 43 HB1 LYS 43 7.403 -1.423 2.297 344 HG2 LYS 43 HG2 LYS 43 7.145 0.769 3.229 345 HG3 LYS 43 HG1 LYS 43 6.743 0.095 4.810 346 HD2 LYS 43 HD2 LYS 43 9.048 -1.016 4.715 347 HD3 LYS 43 HD1 LYS 43 9.388 0.093 3.385 348 HE2 LYS 43 HE2 LYS 43 8.917 1.995 4.824 349 HE3 LYS 43 HE1 LYS 43 8.500 0.911 6.149 350 HZ1 LYS 43 HZ1 LYS 43 10.750 1.792 6.357 351 HZ2 LYS 43 HZ2 LYS 43 11.174 1.102 4.872 352 HZ3 LYS 43 HZ3 LYS 43 10.768 0.109 6.179 353 H LEU 44 HN LEU 44 4.935 0.802 1.965 354 HA LEU 44 HA LEU 44 4.254 -0.325 -0.659 355 HB2 LEU 44 HB2 LEU 44 3.653 2.341 0.619 356 HB3 LEU 44 HB1 LEU 44 3.333 2.000 -1.071 357 HG LEU 44 HG LEU 44 2.001 -0.054 -0.005 358 HD11 LEU 44 HD11 LEU 44 0.831 0.675 2.026 359 HD12 LEU 44 HD12 LEU 44 1.882 2.089 2.114 360 HD13 LEU 44 HD13 LEU 44 2.563 0.473 2.296 361 HD21 LEU 44 HD21 LEU 44 1.060 1.589 -1.517 362 HD22 LEU 44 HD22 LEU 44 0.981 2.777 -0.216 363 HD23 LEU 44 HD23 LEU 44 -0.025 1.329 -0.152 364 H THR 45 HN THR 45 5.445 0.140 -2.446 365 HA THR 45 HA THR 45 7.685 2.023 -2.098 366 HB THR 45 HB THR 45 7.940 -0.248 -4.013 367 HG1 THR 45 HG1 THR 45 8.560 -1.641 -2.392 368 HG21 THR 45 HG21 THR 45 10.303 -0.048 -3.394 369 HG22 THR 45 HG22 THR 45 9.889 1.193 -2.213 370 HG23 THR 45 HG23 THR 45 9.651 1.498 -3.933 371 H HIS 46 HN HIS 46 7.714 3.664 -3.461 372 HA HIS 46 HA HIS 46 6.508 3.356 -6.119 373 HB2 HIS 46 HB2 HIS 46 5.097 4.610 -4.259 374 HB3 HIS 46 HB1 HIS 46 6.161 5.948 -4.677 375 HD1 HIS 46 HD1 HIS 46 5.013 7.454 -6.246 376 HD2 HIS 46 HD2 HIS 46 4.072 3.473 -6.984 377 HE1 HIS 46 HE1 HIS 46 3.500 7.482 -8.255 378 HE2 HIS 46 HE2 HIS 46 2.939 5.062 -8.684 379 H ASN 47 HN ASN 47 7.987 3.772 -7.593 380 HA ASN 47 HA ASN 47 9.714 4.682 -8.746 381 HB2 ASN 47 HB2 ASN 47 9.223 6.965 -6.835 382 HB3 ASN 47 HB1 ASN 47 10.427 7.038 -8.118 383 HD21 ASN 47 HD21 ASN 47 7.126 7.232 -7.299 384 HD22 ASN 47 HD22 ASN 47 6.518 7.573 -8.876 385 H GLY 48 HN GLY 48 10.133 3.049 -6.288 386 HA2 GLY 48 HA2 GLY 48 12.173 2.095 -5.586 387 HA3 GLY 48 HA1 GLY 48 12.997 3.567 -6.072 388 H LYS 49 HN LYS 49 10.688 4.996 -4.531 389 HA LYS 49 HA LYS 49 12.107 4.918 -1.964 390 HB2 LYS 49 HB2 LYS 49 10.279 6.941 -3.242 391 HB3 LYS 49 HB1 LYS 49 10.713 7.030 -1.540 392 HG2 LYS 49 HG2 LYS 49 13.079 7.167 -2.158 393 HG3 LYS 49 HG1 LYS 49 12.628 7.107 -3.863 394 HD2 LYS 49 HD2 LYS 49 11.356 9.179 -3.597 395 HD3 LYS 49 HD1 LYS 49 11.799 9.236 -1.890 396 HE2 LYS 49 HE2 LYS 49 14.162 9.388 -2.517 397 HE3 LYS 49 HE1 LYS 49 13.711 9.340 -4.220 398 HZ1 LYS 49 HZ1 LYS 49 12.497 11.408 -3.919 399 HZ2 LYS 49 HZ2 LYS 49 14.117 11.599 -3.479 400 HZ3 LYS 49 HZ3 LYS 49 12.931 11.453 -2.283 401 H THR 50 HN THR 50 11.042 4.652 -0.007 402 HA THR 50 HA THR 50 8.531 3.181 -0.211 403 HB THR 50 HB THR 50 9.043 2.726 2.280 404 HG1 THR 50 HG1 THR 50 11.147 3.090 2.901 405 HG21 THR 50 HG21 THR 50 10.852 1.680 0.099 406 HG22 THR 50 HG22 THR 50 9.278 1.029 0.552 407 HG23 THR 50 HG23 THR 50 10.630 0.929 1.678 408 H LEU 51 HN LEU 51 6.732 3.641 1.064 409 HA LEU 51 HA LEU 51 6.528 6.461 1.864 410 HB2 LEU 51 HB2 LEU 51 4.460 4.414 1.088 411 HB3 LEU 51 HB1 LEU 51 4.036 5.958 1.799 412 HG LEU 51 HG LEU 51 5.481 6.901 -0.209 413 HD11 LEU 51 HD11 LEU 51 4.470 4.272 -1.287 414 HD12 LEU 51 HD12 LEU 51 6.163 4.682 -1.008 415 HD13 LEU 51 HD13 LEU 51 5.231 5.562 -2.217 416 HD21 LEU 51 HD21 LEU 51 2.645 5.900 -0.329 417 HD22 LEU 51 HD22 LEU 51 3.363 6.946 -1.554 418 HD23 LEU 51 HD23 LEU 51 3.209 7.513 0.108 419 H ASP 52 HN ASP 52 6.027 7.055 3.914 420 HA ASP 52 HA ASP 52 5.997 4.939 5.915 421 HB2 ASP 52 HB2 ASP 52 6.900 7.699 5.822 422 HB3 ASP 52 HB1 ASP 52 5.927 7.374 7.255 423 HA PRO 53 HA PRO 53 1.628 5.127 6.597 424 HB2 PRO 53 HB2 PRO 53 2.150 4.438 9.403 425 HB3 PRO 53 HB1 PRO 53 1.313 3.506 8.157 426 HG2 PRO 53 HG2 PRO 53 3.731 2.789 9.077 427 HG3 PRO 53 HG1 PRO 53 3.231 2.514 7.396 428 HD2 PRO 53 HD2 PRO 53 5.023 4.619 8.512 429 HD3 PRO 53 HD1 PRO 53 5.153 3.705 6.996 430 H SER 54 HN SER 54 3.830 6.933 8.601 431 HA SER 54 HA SER 54 1.824 8.301 10.114 432 HB2 SER 54 HB2 SER 54 4.751 8.923 9.703 433 HB3 SER 54 HB1 SER 54 3.704 9.711 10.882 434 HG SER 54 HG SER 54 4.455 6.977 10.788 435 H LEU 55 HN LEU 55 3.318 8.846 7.015 436 HA LEU 55 HA LEU 55 2.587 11.625 6.962 437 HB2 LEU 55 HB2 LEU 55 3.958 9.734 5.100 438 HB3 LEU 55 HB1 LEU 55 3.474 11.316 4.592 439 HG LEU 55 HG LEU 55 5.181 10.981 7.022 440 HD11 LEU 55 HD11 LEU 55 6.190 11.213 4.192 441 HD12 LEU 55 HD12 LEU 55 6.295 9.772 5.203 442 HD13 LEU 55 HD13 LEU 55 7.169 11.234 5.660 443 HD21 LEU 55 HD21 LEU 55 5.944 13.236 6.365 444 HD22 LEU 55 HD22 LEU 55 4.212 13.158 6.696 445 HD23 LEU 55 HD23 LEU 55 4.792 13.205 5.030 446 H THR 56 HN THR 56 1.759 12.128 4.519 447 HA THR 56 HA THR 56 -0.800 10.684 4.282 448 HB THR 56 HB THR 56 -1.764 12.780 3.375 449 HG1 THR 56 HG1 THR 56 -0.569 14.581 3.213 450 HG21 THR 56 HG21 THR 56 -1.731 14.065 5.532 451 HG22 THR 56 HG22 THR 56 -0.520 12.923 6.119 452 HG23 THR 56 HG23 THR 56 -2.137 12.357 5.698 453 H LEU 57 HN LEU 57 -1.738 10.562 2.148 454 HA LEU 57 HA LEU 57 0.187 9.818 0.174 455 HB2 LEU 57 HB2 LEU 57 -2.819 10.008 0.115 456 HB3 LEU 57 HB1 LEU 57 -1.862 9.414 -1.230 457 HG LEU 57 HG LEU 57 -1.527 8.138 1.450 458 HD11 LEU 57 HD11 LEU 57 -3.340 6.576 0.941 459 HD12 LEU 57 HD12 LEU 57 -3.782 7.551 -0.460 460 HD13 LEU 57 HD13 LEU 57 -3.934 8.221 1.166 461 HD21 LEU 57 HD21 LEU 57 -0.037 7.510 -0.370 462 HD22 LEU 57 HD22 LEU 57 -1.425 7.099 -1.379 463 HD23 LEU 57 HD23 LEU 57 -1.087 6.166 0.078 464 H ALA 58 HN ALA 58 -1.835 12.622 0.706 465 HA ALA 58 HA ALA 58 -1.516 13.717 -1.914 466 HB1 ALA 58 HB1 ALA 58 -3.445 14.240 -0.501 467 HB2 ALA 58 HB2 ALA 58 -2.591 15.695 -1.010 468 HB3 ALA 58 HB3 ALA 58 -2.382 15.078 0.629 469 H GLU 59 HN GLU 59 0.508 13.636 0.848 470 HA GLU 59 HA GLU 59 1.908 16.094 0.233 471 HB2 GLU 59 HB2 GLU 59 1.593 14.796 2.550 472 HB3 GLU 59 HB1 GLU 59 3.112 14.068 2.045 473 HG2 GLU 59 HG2 GLU 59 4.109 16.291 1.849 474 HG3 GLU 59 HG1 GLU 59 2.585 17.015 2.363 475 H TYR 60 HN TYR 60 2.039 12.811 -0.691 476 HA TYR 60 HA TYR 60 4.808 12.921 -1.551 477 HB2 TYR 60 HB2 TYR 60 2.712 10.831 -1.287 478 HB3 TYR 60 HB1 TYR 60 3.964 10.574 -2.490 479 HD1 TYR 60 HD2 TYR 60 6.335 10.363 -1.784 480 HD2 TYR 60 HD1 TYR 60 3.170 10.653 1.046 481 HE1 TYR 60 HE2 TYR 60 7.834 9.517 -0.024 482 HE2 TYR 60 HE1 TYR 60 4.656 9.807 2.809 483 HH TYR 60 HH TYR 60 7.953 9.689 2.539 484 H GLY 61 HN GLY 61 1.667 13.484 -2.826 485 HA2 GLY 61 HA2 GLY 61 1.191 14.476 -4.890 486 HA3 GLY 61 HA1 GLY 61 2.817 14.081 -5.426 487 H ILE 62 HN ILE 62 0.249 11.976 -4.133 488 HA ILE 62 HA ILE 62 0.501 10.362 -6.580 489 HB ILE 62 HB ILE 62 -0.772 9.460 -4.005 490 HG12 ILE 62 HG12 ILE 62 1.931 8.472 -4.675 491 HG13 ILE 62 HG11 ILE 62 1.856 10.149 -4.144 492 HG21 ILE 62 HG21 ILE 62 -1.350 8.184 -5.996 493 HG22 ILE 62 HG22 ILE 62 -0.347 7.228 -4.907 494 HG23 ILE 62 HG23 ILE 62 0.361 7.947 -6.351 495 HD11 ILE 62 HD11 ILE 62 0.648 9.403 -2.122 496 HD12 ILE 62 HD12 ILE 62 2.274 8.736 -2.257 497 HD13 ILE 62 HD13 ILE 62 0.877 7.735 -2.646 498 H THR 63 HN THR 63 -1.205 9.984 -7.878 499 HA THR 63 HA THR 63 -3.842 10.965 -7.013 500 HB THR 63 HB THR 63 -4.231 11.509 -9.481 501 HG1 THR 63 HG1 THR 63 -1.700 10.577 -9.604 502 HG21 THR 63 HG21 THR 63 -3.923 13.251 -7.797 503 HG22 THR 63 HG22 THR 63 -3.142 13.705 -9.311 504 HG23 THR 63 HG23 THR 63 -2.174 13.115 -7.961 505 HA PRO 64 HA PRO 64 -5.422 7.013 -8.204 506 HB2 PRO 64 HB2 PRO 64 -7.858 8.198 -9.288 507 HB3 PRO 64 HB1 PRO 64 -7.643 7.245 -7.817 508 HG2 PRO 64 HG2 PRO 64 -8.224 9.885 -7.769 509 HG3 PRO 64 HG1 PRO 64 -7.288 9.074 -6.500 510 HD2 PRO 64 HD2 PRO 64 -6.333 10.795 -8.740 511 HD3 PRO 64 HD1 PRO 64 -5.760 10.696 -7.063 512 H GLY 65 HN GLY 65 -5.347 5.673 -9.946 513 HA2 GLY 65 HA2 GLY 65 -5.895 5.229 -12.270 514 HA3 GLY 65 HA1 GLY 65 -5.539 6.916 -12.615 515 H SER 66 HN SER 66 -3.219 6.166 -10.524 516 HA SER 66 HA SER 66 -1.311 5.578 -12.656 517 HB2 SER 66 HB2 SER 66 -0.839 6.427 -9.785 518 HB3 SER 66 HB1 SER 66 0.409 6.241 -11.019 519 HG SER 66 HG SER 66 -1.681 8.144 -10.901 520 H THR 67 HN THR 67 0.514 4.097 -12.106 521 HA THR 67 HA THR 67 -0.571 1.622 -11.017 522 HB THR 67 HB THR 67 1.681 0.707 -11.885 523 HG1 THR 67 HG1 THR 67 1.967 2.617 -13.746 524 HG21 THR 67 HG21 THR 67 0.852 0.579 -14.170 525 HG22 THR 67 HG22 THR 67 -0.240 1.931 -13.868 526 HG23 THR 67 HG23 THR 67 -0.483 0.398 -13.031 527 H ILE 68 HN ILE 68 -0.091 0.887 -9.040 528 HA ILE 68 HA ILE 68 2.190 2.103 -7.618 529 HB ILE 68 HB ILE 68 -0.212 0.867 -6.278 530 HG12 ILE 68 HG12 ILE 68 -0.408 3.603 -5.906 531 HG13 ILE 68 HG11 ILE 68 0.052 3.463 -7.601 532 HG21 ILE 68 HG21 ILE 68 1.816 1.064 -4.922 533 HG22 ILE 68 HG22 ILE 68 0.548 2.145 -4.341 534 HG23 ILE 68 HG23 ILE 68 1.891 2.788 -5.285 535 HD11 ILE 68 HD11 ILE 68 -1.858 2.058 -8.035 536 HD12 ILE 68 HD12 ILE 68 -2.377 3.557 -7.265 537 HD13 ILE 68 HD13 ILE 68 -2.290 2.068 -6.327 538 H THR 69 HN THR 69 3.543 0.794 -6.399 539 HA THR 69 HA THR 69 3.345 -2.087 -6.963 540 HB THR 69 HB THR 69 5.941 -0.856 -6.157 541 HG1 THR 69 HG1 THR 69 4.820 -0.684 -8.775 542 HG21 THR 69 HG21 THR 69 6.818 -2.564 -7.708 543 HG22 THR 69 HG22 THR 69 5.166 -3.047 -8.088 544 HG23 THR 69 HG23 THR 69 5.795 -3.266 -6.456 545 H LEU 70 HN LEU 70 2.801 -3.254 -5.247 546 HA LEU 70 HA LEU 70 3.481 -2.227 -2.580 547 HB2 LEU 70 HB2 LEU 70 1.043 -2.770 -3.408 548 HB3 LEU 70 HB1 LEU 70 1.503 -4.416 -3.019 549 HG LEU 70 HG LEU 70 1.980 -2.369 -0.924 550 HD11 LEU 70 HD11 LEU 70 -0.222 -1.724 -1.757 551 HD12 LEU 70 HD12 LEU 70 -0.337 -2.471 -0.162 552 HD13 LEU 70 HD13 LEU 70 -0.774 -3.393 -1.601 553 HD21 LEU 70 HD21 LEU 70 1.172 -4.243 0.496 554 HD22 LEU 70 HD22 LEU 70 2.579 -4.651 -0.486 555 HD23 LEU 70 HD23 LEU 70 0.977 -5.211 -0.965 556 H GLU 71 HN GLU 71 4.583 -3.482 -1.121 557 HA GLU 71 HA GLU 71 5.419 -6.163 -1.999 558 HB2 GLU 71 HB2 GLU 71 7.165 -3.908 -1.034 559 HB3 GLU 71 HB1 GLU 71 7.682 -5.586 -0.933 560 HG2 GLU 71 HG2 GLU 71 7.410 -5.795 -3.367 561 HG3 GLU 71 HG1 GLU 71 6.963 -4.090 -3.444 562 H ILE 72 HN ILE 72 5.717 -7.677 -0.374 563 HA ILE 72 HA ILE 72 4.991 -6.804 2.349 564 HB ILE 72 HB ILE 72 4.429 -9.562 1.282 565 HG12 ILE 72 HG12 ILE 72 2.148 -7.720 1.543 566 HG13 ILE 72 HG11 ILE 72 3.246 -7.339 0.220 567 HG21 ILE 72 HG21 ILE 72 3.291 -7.997 3.593 568 HG22 ILE 72 HG22 ILE 72 4.467 -9.306 3.703 569 HG23 ILE 72 HG23 ILE 72 2.830 -9.635 3.132 570 HD11 ILE 72 HD11 ILE 72 2.972 -9.602 -0.650 571 HD12 ILE 72 HD12 ILE 72 1.428 -8.757 -0.527 572 HD13 ILE 72 HD13 ILE 72 1.866 -9.973 0.672 573 H LYS 73 HN LYS 73 6.268 -7.471 4.009 574 HA LYS 73 HA LYS 73 8.687 -8.951 3.273 575 HB2 LYS 73 HB2 LYS 73 8.018 -7.122 5.571 576 HB3 LYS 73 HB1 LYS 73 9.454 -8.137 5.581 577 HG2 LYS 73 HG2 LYS 73 10.229 -7.061 3.527 578 HG3 LYS 73 HG1 LYS 73 8.794 -6.031 3.536 579 HD2 LYS 73 HD2 LYS 73 9.483 -5.112 5.705 580 HD3 LYS 73 HD1 LYS 73 10.929 -6.124 5.665 581 HE2 LYS 73 HE2 LYS 73 10.270 -4.153 3.494 582 HE3 LYS 73 HE1 LYS 73 11.201 -3.708 4.923 583 HZ1 LYS 73 HZ1 LYS 73 12.817 -5.419 4.346 584 HZ2 LYS 73 HZ2 LYS 73 12.653 -4.292 3.096 585 HZ3 LYS 73 HZ3 LYS 73 11.929 -5.816 2.961 586 H LYS 74 HN LYS 74 9.150 -10.911 4.047 587 HA LYS 74 HA LYS 74 7.256 -12.089 5.965 588 HB2 LYS 74 HB2 LYS 74 7.760 -13.039 3.526 589 HB3 LYS 74 HB1 LYS 74 9.101 -13.801 4.372 590 HG2 LYS 74 HG2 LYS 74 7.562 -14.869 5.907 591 HG3 LYS 74 HG1 LYS 74 6.200 -14.061 5.132 592 HD2 LYS 74 HD2 LYS 74 6.691 -15.228 3.043 593 HD3 LYS 74 HD1 LYS 74 8.071 -16.021 3.805 594 HE2 LYS 74 HE2 LYS 74 5.278 -16.267 4.883 595 HE3 LYS 74 HE1 LYS 74 5.905 -17.355 3.646 596 HZ1 LYS 74 HZ1 LYS 74 7.053 -16.943 6.356 597 HZ2 LYS 74 HZ2 LYS 74 7.705 -17.955 5.167 598 HZ3 LYS 74 HZ3 LYS 74 6.189 -18.301 5.835 599 H LYS 75 HN LYS 75 10.666 -12.206 5.005 600 HA LYS 75 HA LYS 75 12.598 -12.282 6.176 601 HB2 LYS 75 HB2 LYS 75 10.753 -11.658 8.466 602 HB3 LYS 75 HB1 LYS 75 12.468 -11.945 8.717 603 HG2 LYS 75 HG2 LYS 75 12.979 -10.105 7.165 604 HG3 LYS 75 HG1 LYS 75 11.250 -9.793 7.000 605 HD2 LYS 75 HD2 LYS 75 11.119 -9.377 9.426 606 HD3 LYS 75 HD1 LYS 75 12.861 -9.639 9.547 607 HE2 LYS 75 HE2 LYS 75 13.256 -7.752 8.054 608 HE3 LYS 75 HE1 LYS 75 11.517 -7.497 7.903 609 HZ1 LYS 75 HZ1 LYS 75 13.090 -7.278 10.413 610 HZ2 LYS 75 HZ2 LYS 75 11.421 -7.041 10.276 611 HZ3 LYS 75 HZ3 LYS 75 12.490 -5.981 9.506 612 H GLY 76 HN GLY 76 13.753 -14.053 6.433 613 HA2 GLY 76 HA2 GLY 76 13.177 -16.054 8.355 614 HA3 GLY 76 HA1 GLY 76 12.663 -16.590 6.762 615 H GLY 77 HN GLY 77 14.140 -18.179 6.426 616 HA2 GLY 77 HA2 GLY 77 16.481 -17.833 5.179 617 HA3 GLY 77 HA1 GLY 77 16.970 -17.668 6.858 618 H LEU 78 HN LEU 78 17.697 -19.697 4.869 619 HA LEU 78 HA LEU 78 16.526 -22.103 6.081 620 HB2 LEU 78 HB2 LEU 78 18.017 -21.680 3.494 621 HB3 LEU 78 HB1 LEU 78 17.645 -23.271 4.131 622 HG LEU 78 HG LEU 78 15.191 -21.975 4.138 623 HD11 LEU 78 HD11 LEU 78 16.678 -21.315 1.600 624 HD12 LEU 78 HD12 LEU 78 16.118 -20.157 2.806 625 HD13 LEU 78 HD13 LEU 78 14.951 -21.095 1.873 626 HD21 LEU 78 HD21 LEU 78 15.601 -24.307 3.562 627 HD22 LEU 78 HD22 LEU 78 16.387 -23.811 2.064 628 HD23 LEU 78 HD23 LEU 78 14.666 -23.506 2.300 629 H GLU 79 HN GLU 79 17.702 -23.355 7.383 630 HA GLU 79 HA GLU 79 20.622 -22.992 7.409 631 HB2 GLU 79 HB2 GLU 79 18.719 -23.140 9.740 632 HB3 GLU 79 HB1 GLU 79 20.436 -23.482 9.916 633 HG2 GLU 79 HG2 GLU 79 20.977 -21.243 9.132 634 HG3 GLU 79 HG1 GLU 79 19.262 -20.896 8.914 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -8.339 8.037 -13.268 2 H2 MET 1 HT2 MET 1 -9.412 7.204 -12.260 3 H3 MET 1 HT3 MET 1 -7.879 7.636 -11.690 4 HA MET 1 HA MET 1 -8.436 9.971 -11.876 5 HB2 MET 1 HB2 MET 1 -11.057 8.816 -12.811 6 HB3 MET 1 HB1 MET 1 -10.943 10.442 -12.148 7 HG2 MET 1 HG2 MET 1 -9.329 11.032 -13.887 8 HG3 MET 1 HG1 MET 1 -9.464 9.407 -14.556 9 HE1 MET 1 HE1 MET 1 -10.024 10.432 -16.956 10 HE2 MET 1 HE2 MET 1 -9.868 12.053 -16.278 11 HE3 MET 1 HE3 MET 1 -11.292 11.628 -17.226 12 H ASP 2 HN ASP 2 -10.276 7.248 -10.627 13 HA ASP 2 HA ASP 2 -10.190 8.485 -7.968 14 HB2 ASP 2 HB2 ASP 2 -12.610 7.288 -9.313 15 HB3 ASP 2 HB1 ASP 2 -12.501 7.466 -7.565 16 H THR 3 HN THR 3 -9.879 5.739 -9.973 17 HA THR 3 HA THR 3 -9.664 3.961 -7.643 18 HB THR 3 HB THR 3 -9.755 2.105 -9.387 19 HG1 THR 3 HG1 THR 3 -9.742 4.228 -11.019 20 HG21 THR 3 HG21 THR 3 -11.662 2.643 -7.964 21 HG22 THR 3 HG22 THR 3 -12.204 2.234 -9.592 22 HG23 THR 3 HG23 THR 3 -12.148 3.921 -9.078 23 H ILE 4 HN ILE 4 -7.921 2.507 -7.489 24 HA ILE 4 HA ILE 4 -5.562 3.135 -9.137 25 HB ILE 4 HB ILE 4 -4.195 2.765 -7.010 26 HG12 ILE 4 HG12 ILE 4 -6.418 3.819 -5.391 27 HG13 ILE 4 HG11 ILE 4 -6.627 2.149 -5.904 28 HG21 ILE 4 HG21 ILE 4 -5.909 5.227 -7.295 29 HG22 ILE 4 HG22 ILE 4 -4.352 4.925 -8.068 30 HG23 ILE 4 HG23 ILE 4 -4.444 5.122 -6.319 31 HD11 ILE 4 HD11 ILE 4 -4.264 3.240 -4.397 32 HD12 ILE 4 HD12 ILE 4 -4.492 1.565 -4.897 33 HD13 ILE 4 HD13 ILE 4 -5.584 2.290 -3.715 34 H ASN 5 HN ASN 5 -3.927 1.431 -9.152 35 HA ASN 5 HA ASN 5 -5.116 -1.215 -8.858 36 HB2 ASN 5 HB2 ASN 5 -2.960 -0.025 -10.533 37 HB3 ASN 5 HB1 ASN 5 -3.009 -1.742 -10.280 38 HD21 ASN 5 HD21 ASN 5 -3.289 -0.311 -12.702 39 HD22 ASN 5 HD22 ASN 5 -4.831 -0.717 -13.331 40 H ILE 6 HN ILE 6 -3.883 -2.921 -7.977 41 HA ILE 6 HA ILE 6 -1.559 -2.183 -6.339 42 HB ILE 6 HB ILE 6 -3.936 -3.750 -5.304 43 HG12 ILE 6 HG12 ILE 6 -3.487 -1.668 -3.563 44 HG13 ILE 6 HG11 ILE 6 -3.152 -0.929 -5.125 45 HG21 ILE 6 HG21 ILE 6 -1.311 -3.075 -3.990 46 HG22 ILE 6 HG22 ILE 6 -1.914 -4.680 -4.403 47 HG23 ILE 6 HG23 ILE 6 -2.715 -3.735 -3.147 48 HD11 ILE 6 HD11 ILE 6 -5.686 -2.380 -4.398 49 HD12 ILE 6 HD12 ILE 6 -5.350 -1.552 -5.919 50 HD13 ILE 6 HD13 ILE 6 -5.475 -0.630 -4.422 51 H THR 7 HN THR 7 0.075 -3.547 -6.734 52 HA THR 7 HA THR 7 -0.557 -6.169 -7.902 53 HB THR 7 HB THR 7 2.228 -5.113 -7.926 54 HG1 THR 7 HG1 THR 7 0.762 -3.374 -8.613 55 HG21 THR 7 HG21 THR 7 1.730 -7.330 -8.827 56 HG22 THR 7 HG22 THR 7 2.260 -6.237 -10.106 57 HG23 THR 7 HG23 THR 7 0.549 -6.625 -9.931 58 H LEU 8 HN LEU 8 -0.570 -7.755 -6.475 59 HA LEU 8 HA LEU 8 1.187 -7.663 -4.159 60 HB2 LEU 8 HB2 LEU 8 -0.196 -9.715 -3.511 61 HB3 LEU 8 HB1 LEU 8 -0.978 -8.161 -3.531 62 HG LEU 8 HG LEU 8 -1.238 -9.756 -5.999 63 HD11 LEU 8 HD11 LEU 8 -2.892 -10.418 -3.574 64 HD12 LEU 8 HD12 LEU 8 -1.485 -11.366 -4.053 65 HD13 LEU 8 HD13 LEU 8 -2.870 -11.233 -5.136 66 HD21 LEU 8 HD21 LEU 8 -3.182 -8.153 -4.332 67 HD22 LEU 8 HD22 LEU 8 -3.489 -8.819 -5.933 68 HD23 LEU 8 HD23 LEU 8 -2.287 -7.547 -5.726 69 HA PRO 9 HA PRO 9 4.161 -10.703 -5.337 70 HB2 PRO 9 HB2 PRO 9 3.802 -12.687 -3.406 71 HB3 PRO 9 HB1 PRO 9 4.840 -11.266 -3.252 72 HG2 PRO 9 HG2 PRO 9 2.084 -11.697 -2.219 73 HG3 PRO 9 HG1 PRO 9 3.444 -10.826 -1.484 74 HD2 PRO 9 HD2 PRO 9 1.429 -9.502 -2.607 75 HD3 PRO 9 HD1 PRO 9 3.100 -8.930 -2.768 76 H ASP 10 HN ASP 10 0.866 -11.821 -4.852 77 HA ASP 10 HA ASP 10 1.183 -14.393 -5.995 78 HB2 ASP 10 HB2 ASP 10 -1.244 -12.623 -5.703 79 HB3 ASP 10 HB1 ASP 10 -1.316 -14.259 -6.349 80 H GLY 11 HN GLY 11 0.880 -11.209 -7.344 81 HA2 GLY 11 HA2 GLY 11 1.701 -10.822 -9.574 82 HA3 GLY 11 HA1 GLY 11 1.161 -12.429 -10.016 83 H LYS 12 HN LYS 12 -1.375 -11.322 -8.320 84 HA LYS 12 HA LYS 12 -2.702 -10.422 -10.764 85 HB2 LYS 12 HB2 LYS 12 -4.801 -10.639 -9.300 86 HB3 LYS 12 HB1 LYS 12 -3.972 -12.116 -9.761 87 HG2 LYS 12 HG2 LYS 12 -2.815 -12.022 -7.518 88 HG3 LYS 12 HG1 LYS 12 -3.954 -10.742 -7.092 89 HD2 LYS 12 HD2 LYS 12 -5.815 -12.294 -7.628 90 HD3 LYS 12 HD1 LYS 12 -4.626 -13.570 -7.900 91 HE2 LYS 12 HE2 LYS 12 -3.848 -13.318 -5.582 92 HE3 LYS 12 HE1 LYS 12 -5.071 -12.074 -5.318 93 HZ1 LYS 12 HZ1 LYS 12 -5.805 -14.221 -4.493 94 HZ2 LYS 12 HZ2 LYS 12 -5.612 -14.908 -6.027 95 HZ3 LYS 12 HZ3 LYS 12 -6.785 -13.716 -5.778 96 H THR 13 HN THR 13 -4.401 -8.662 -10.450 97 HA THR 13 HA THR 13 -3.246 -6.540 -8.769 98 HB THR 13 HB THR 13 -4.307 -4.969 -10.507 99 HG1 THR 13 HG1 THR 13 -5.431 -6.825 -11.542 100 HG21 THR 13 HG21 THR 13 -1.960 -6.703 -11.294 101 HG22 THR 13 HG22 THR 13 -1.889 -5.292 -10.238 102 HG23 THR 13 HG23 THR 13 -2.324 -5.101 -11.935 103 H LEU 14 HN LEU 14 -4.631 -5.037 -7.825 104 HA LEU 14 HA LEU 14 -7.473 -5.801 -7.699 105 HB2 LEU 14 HB2 LEU 14 -5.886 -6.365 -5.675 106 HB3 LEU 14 HB1 LEU 14 -6.069 -4.658 -5.319 107 HG LEU 14 HG LEU 14 -8.587 -6.137 -5.772 108 HD11 LEU 14 HD11 LEU 14 -6.889 -6.610 -3.328 109 HD12 LEU 14 HD12 LEU 14 -7.341 -7.812 -4.535 110 HD13 LEU 14 HD13 LEU 14 -8.577 -7.083 -3.511 111 HD21 LEU 14 HD21 LEU 14 -7.658 -4.186 -3.667 112 HD22 LEU 14 HD22 LEU 14 -9.309 -4.767 -3.881 113 HD23 LEU 14 HD23 LEU 14 -8.551 -3.781 -5.131 114 H THR 15 HN THR 15 -8.945 -4.075 -7.357 115 HA THR 15 HA THR 15 -7.801 -1.416 -7.900 116 HB THR 15 HB THR 15 -10.619 -1.541 -8.482 117 HG1 THR 15 HG1 THR 15 -9.042 -3.672 -9.342 118 HG21 THR 15 HG21 THR 15 -8.305 -1.225 -10.388 119 HG22 THR 15 HG22 THR 15 -8.857 0.065 -9.325 120 HG23 THR 15 HG23 THR 15 -9.939 -0.585 -10.556 121 H LEU 16 HN LEU 16 -8.001 0.052 -6.352 122 HA LEU 16 HA LEU 16 -10.256 -0.181 -4.465 123 HB2 LEU 16 HB2 LEU 16 -7.926 -0.907 -3.603 124 HB3 LEU 16 HB1 LEU 16 -7.547 0.805 -3.619 125 HG LEU 16 HG LEU 16 -9.707 1.020 -2.153 126 HD11 LEU 16 HD11 LEU 16 -10.457 -1.273 -2.379 127 HD12 LEU 16 HD12 LEU 16 -10.048 -0.926 -0.697 128 HD13 LEU 16 HD13 LEU 16 -8.937 -1.860 -1.700 129 HD21 LEU 16 HD21 LEU 16 -7.487 1.596 -1.385 130 HD22 LEU 16 HD22 LEU 16 -7.107 -0.106 -1.122 131 HD23 LEU 16 HD23 LEU 16 -8.336 0.686 -0.134 132 H THR 17 HN THR 17 -10.691 1.897 -3.301 133 HA THR 17 HA THR 17 -10.420 4.132 -5.175 134 HB THR 17 HB THR 17 -12.184 4.332 -2.776 135 HG1 THR 17 HG1 THR 17 -13.370 3.165 -4.993 136 HG21 THR 17 HG21 THR 17 -13.614 5.539 -4.369 137 HG22 THR 17 HG22 THR 17 -12.477 5.167 -5.665 138 HG23 THR 17 HG23 THR 17 -11.982 6.207 -4.329 139 H VAL 18 HN VAL 18 -9.432 6.036 -4.630 140 HA VAL 18 HA VAL 18 -8.235 6.174 -1.934 141 HB VAL 18 HB VAL 18 -6.459 7.641 -3.150 142 HG11 VAL 18 HG11 VAL 18 -6.617 4.648 -3.193 143 HG12 VAL 18 HG12 VAL 18 -5.729 5.697 -2.085 144 HG13 VAL 18 HG13 VAL 18 -5.184 5.510 -3.753 145 HG21 VAL 18 HG21 VAL 18 -5.993 6.893 -5.451 146 HG22 VAL 18 HG22 VAL 18 -7.540 7.728 -5.316 147 HG23 VAL 18 HG23 VAL 18 -7.496 5.969 -5.435 148 H THR 19 HN THR 19 -8.018 8.201 -0.971 149 HA THR 19 HA THR 19 -9.315 10.474 -2.292 150 HB THR 19 HB THR 19 -10.385 11.041 -0.032 151 HG1 THR 19 HG1 THR 19 -9.896 9.658 1.490 152 HG21 THR 19 HG21 THR 19 -11.696 10.341 -1.972 153 HG22 THR 19 HG22 THR 19 -12.369 9.666 -0.489 154 HG23 THR 19 HG23 THR 19 -11.414 8.648 -1.567 155 HA PRO 20 HA PRO 20 -5.948 12.748 -0.543 156 HB2 PRO 20 HB2 PRO 20 -7.597 15.109 -0.119 157 HB3 PRO 20 HB1 PRO 20 -6.351 14.831 -1.341 158 HG2 PRO 20 HG2 PRO 20 -8.986 15.023 -1.948 159 HG3 PRO 20 HG1 PRO 20 -7.836 14.057 -2.891 160 HD2 PRO 20 HD2 PRO 20 -9.828 13.163 -0.856 161 HD3 PRO 20 HD1 PRO 20 -9.364 12.409 -2.394 162 H GLU 21 HN GLU 21 -8.725 12.091 1.269 163 HA GLU 21 HA GLU 21 -7.701 13.389 3.679 164 HB2 GLU 21 HB2 GLU 21 -10.208 13.314 2.792 165 HB3 GLU 21 HB1 GLU 21 -10.223 11.812 3.705 166 HG2 GLU 21 HG2 GLU 21 -9.544 13.016 5.709 167 HG3 GLU 21 HG1 GLU 21 -9.503 14.522 4.796 168 H PHE 22 HN PHE 22 -7.582 10.380 2.133 169 HA PHE 22 HA PHE 22 -7.457 8.812 4.559 170 HB2 PHE 22 HB2 PHE 22 -7.783 8.266 1.761 171 HB3 PHE 22 HB1 PHE 22 -6.435 7.343 2.377 172 HD1 PHE 22 HD2 PHE 22 -9.927 8.228 3.325 173 HD2 PHE 22 HD1 PHE 22 -6.872 5.267 3.248 174 HE1 PHE 22 HE2 PHE 22 -11.499 6.588 4.272 175 HE2 PHE 22 HE1 PHE 22 -8.437 3.623 4.195 176 HZ PHE 22 HZ PHE 22 -10.754 4.282 4.708 177 H THR 23 HN THR 23 -5.651 8.025 5.508 178 HA THR 23 HA THR 23 -3.123 9.229 4.689 179 HB THR 23 HB THR 23 -2.301 8.143 6.865 180 HG1 THR 23 HG1 THR 23 -4.925 8.122 7.781 181 HG21 THR 23 HG21 THR 23 -3.411 9.898 8.274 182 HG22 THR 23 HG22 THR 23 -4.424 10.286 6.883 183 HG23 THR 23 HG23 THR 23 -2.676 10.504 6.791 184 H VAL 24 HN VAL 24 -1.147 7.739 4.938 185 HA VAL 24 HA VAL 24 -1.451 5.563 3.140 186 HB VAL 24 HB VAL 24 0.911 6.115 4.948 187 HG11 VAL 24 HG11 VAL 24 0.820 4.724 2.274 188 HG12 VAL 24 HG12 VAL 24 0.858 3.894 3.829 189 HG13 VAL 24 HG13 VAL 24 2.217 4.903 3.336 190 HG21 VAL 24 HG21 VAL 24 0.377 7.159 2.169 191 HG22 VAL 24 HG22 VAL 24 1.840 7.423 3.119 192 HG23 VAL 24 HG23 VAL 24 0.305 8.106 3.654 193 H LYS 25 HN LYS 25 -1.422 5.859 6.609 194 HA LYS 25 HA LYS 25 -1.049 3.104 7.220 195 HB2 LYS 25 HB2 LYS 25 -0.843 5.286 8.692 196 HB3 LYS 25 HB1 LYS 25 -2.529 4.937 9.048 197 HG2 LYS 25 HG2 LYS 25 -1.921 2.741 9.881 198 HG3 LYS 25 HG1 LYS 25 -0.230 3.044 9.481 199 HD2 LYS 25 HD2 LYS 25 -0.188 4.915 11.052 200 HD3 LYS 25 HD1 LYS 25 -1.885 4.625 11.446 201 HE2 LYS 25 HE2 LYS 25 -1.304 2.396 12.275 202 HE3 LYS 25 HE1 LYS 25 0.390 2.694 11.886 203 HZ1 LYS 25 HZ1 LYS 25 -0.059 3.077 14.225 204 HZ2 LYS 25 HZ2 LYS 25 -1.231 4.234 13.842 205 HZ3 LYS 25 HZ3 LYS 25 0.393 4.521 13.467 206 H GLU 26 HN GLU 26 -3.877 5.180 6.787 207 HA GLU 26 HA GLU 26 -5.791 3.220 7.562 208 HB2 GLU 26 HB2 GLU 26 -5.877 5.907 7.154 209 HB3 GLU 26 HB1 GLU 26 -6.683 5.319 5.706 210 HG2 GLU 26 HG2 GLU 26 -8.512 5.385 6.994 211 HG3 GLU 26 HG1 GLU 26 -7.922 3.831 7.585 212 H LEU 27 HN LEU 27 -4.727 4.435 4.369 213 HA LEU 27 HA LEU 27 -6.320 2.750 2.823 214 HB2 LEU 27 HB2 LEU 27 -4.933 4.745 2.097 215 HB3 LEU 27 HB1 LEU 27 -3.558 3.664 2.081 216 HG LEU 27 HG LEU 27 -5.067 2.218 0.494 217 HD11 LEU 27 HD11 LEU 27 -6.272 4.965 0.215 218 HD12 LEU 27 HD12 LEU 27 -7.092 3.492 0.728 219 HD13 LEU 27 HD13 LEU 27 -6.502 3.641 -0.925 220 HD21 LEU 27 HD21 LEU 27 -2.950 3.212 -0.165 221 HD22 LEU 27 HD22 LEU 27 -3.737 4.775 -0.400 222 HD23 LEU 27 HD23 LEU 27 -4.150 3.415 -1.441 223 H ALA 28 HN ALA 28 -3.251 2.159 4.423 224 HA ALA 28 HA ALA 28 -2.651 -0.279 3.081 225 HB1 ALA 28 HB1 ALA 28 -0.920 1.072 4.153 226 HB2 ALA 28 HB2 ALA 28 -0.934 -0.577 4.776 227 HB3 ALA 28 HB3 ALA 28 -1.634 0.730 5.729 228 H GLU 29 HN GLU 29 -4.376 0.497 6.079 229 HA GLU 29 HA GLU 29 -4.540 -2.205 6.961 230 HB2 GLU 29 HB2 GLU 29 -5.812 -1.429 8.747 231 HB3 GLU 29 HB1 GLU 29 -4.797 -0.053 8.346 232 HG2 GLU 29 HG2 GLU 29 -6.694 0.887 7.044 233 HG3 GLU 29 HG1 GLU 29 -7.693 -0.439 7.640 234 H GLU 30 HN GLU 30 -6.406 -0.313 4.730 235 HA GLU 30 HA GLU 30 -8.773 -1.903 4.787 236 HB2 GLU 30 HB2 GLU 30 -7.883 0.444 3.456 237 HB3 GLU 30 HB1 GLU 30 -8.401 -0.694 2.220 238 HG2 GLU 30 HG2 GLU 30 -10.260 0.676 2.793 239 HG3 GLU 30 HG1 GLU 30 -10.555 -0.942 3.424 240 H ILE 31 HN ILE 31 -6.017 -1.746 2.548 241 HA ILE 31 HA ILE 31 -6.859 -3.934 0.957 242 HB ILE 31 HB ILE 31 -5.319 -2.156 0.160 243 HG12 ILE 31 HG12 ILE 31 -3.597 -3.910 -0.835 244 HG13 ILE 31 HG11 ILE 31 -4.709 -5.064 -0.105 245 HG21 ILE 31 HG21 ILE 31 -2.973 -2.197 0.711 246 HG22 ILE 31 HG22 ILE 31 -3.211 -3.587 1.769 247 HG23 ILE 31 HG23 ILE 31 -3.918 -2.029 2.190 248 HD11 ILE 31 HD11 ILE 31 -6.537 -4.161 -1.404 249 HD12 ILE 31 HD12 ILE 31 -5.209 -4.646 -2.459 250 HD13 ILE 31 HD13 ILE 31 -5.469 -2.939 -2.093 251 H ALA 32 HN ALA 32 -4.855 -3.700 3.830 252 HA ALA 32 HA ALA 32 -3.695 -6.286 3.669 253 HB1 ALA 32 HB1 ALA 32 -4.141 -4.650 6.155 254 HB2 ALA 32 HB2 ALA 32 -2.797 -4.415 5.036 255 HB3 ALA 32 HB3 ALA 32 -2.957 -5.936 5.919 256 H ARG 33 HN ARG 33 -6.751 -5.110 4.853 257 HA ARG 33 HA ARG 33 -7.402 -7.330 6.496 258 HB2 ARG 33 HB2 ARG 33 -8.463 -4.904 6.231 259 HB3 ARG 33 HB1 ARG 33 -9.557 -5.777 5.165 260 HG2 ARG 33 HG2 ARG 33 -10.127 -7.303 6.979 261 HG3 ARG 33 HG1 ARG 33 -9.010 -6.454 8.048 262 HD2 ARG 33 HD2 ARG 33 -11.313 -5.093 6.673 263 HD3 ARG 33 HD1 ARG 33 -11.455 -5.841 8.264 264 HE ARG 33 HE ARG 33 -9.272 -4.108 8.332 265 HH11 ARG 33 HH12 ARG 33 -12.739 -3.931 7.967 266 HH12 ARG 33 HH11 ARG 33 -12.859 -2.353 8.670 267 HH21 ARG 33 HH21 ARG 33 -9.427 -2.036 9.263 268 HH22 ARG 33 HH22 ARG 33 -10.977 -1.277 9.406 269 H ARG 34 HN ARG 34 -7.799 -6.683 3.069 270 HA ARG 34 HA ARG 34 -9.602 -8.879 2.630 271 HB2 ARG 34 HB2 ARG 34 -8.229 -6.877 0.893 272 HB3 ARG 34 HB1 ARG 34 -8.885 -8.331 0.153 273 HG2 ARG 34 HG2 ARG 34 -10.647 -6.879 -0.063 274 HG3 ARG 34 HG1 ARG 34 -11.048 -7.687 1.454 275 HD2 ARG 34 HD2 ARG 34 -10.070 -5.832 2.707 276 HD3 ARG 34 HD1 ARG 34 -9.646 -5.027 1.195 277 HE ARG 34 HE ARG 34 -12.331 -5.392 1.000 278 HH11 ARG 34 HH12 ARG 34 -10.251 -3.944 3.399 279 HH12 ARG 34 HH11 ARG 34 -11.435 -2.794 3.923 280 HH21 ARG 34 HH22 ARG 34 -13.894 -3.860 1.674 281 HH22 ARG 34 HH21 ARG 34 -13.505 -2.747 2.941 282 H LEU 35 HN LEU 35 -6.154 -8.452 2.629 283 HA LEU 35 HA LEU 35 -5.753 -10.994 1.252 284 HB2 LEU 35 HB2 LEU 35 -3.997 -8.698 1.972 285 HB3 LEU 35 HB1 LEU 35 -3.259 -10.272 1.749 286 HG LEU 35 HG LEU 35 -4.597 -10.235 -0.525 287 HD11 LEU 35 HD11 LEU 35 -4.284 -7.304 0.106 288 HD12 LEU 35 HD12 LEU 35 -5.805 -8.174 -0.101 289 HD13 LEU 35 HD13 LEU 35 -4.710 -7.971 -1.469 290 HD21 LEU 35 HD21 LEU 35 -2.208 -10.404 -0.428 291 HD22 LEU 35 HD22 LEU 35 -2.059 -8.704 0.015 292 HD23 LEU 35 HD23 LEU 35 -2.629 -9.149 -1.593 293 H GLY 36 HN GLY 36 -5.909 -9.746 4.431 294 HA2 GLY 36 HA2 GLY 36 -5.947 -10.952 6.411 295 HA3 GLY 36 HA1 GLY 36 -5.420 -12.373 5.526 296 H LEU 37 HN LEU 37 -3.846 -9.194 5.744 297 HA LEU 37 HA LEU 37 -1.655 -10.456 7.241 298 HB2 LEU 37 HB2 LEU 37 -1.179 -8.481 5.027 299 HB3 LEU 37 HB1 LEU 37 0.009 -9.426 5.895 300 HG LEU 37 HG LEU 37 -2.059 -10.870 4.303 301 HD11 LEU 37 HD11 LEU 37 -1.293 -9.165 2.763 302 HD12 LEU 37 HD12 LEU 37 -0.630 -10.736 2.314 303 HD13 LEU 37 HD13 LEU 37 0.387 -9.552 3.136 304 HD21 LEU 37 HD21 LEU 37 -0.215 -12.452 4.008 305 HD22 LEU 37 HD22 LEU 37 -0.521 -12.122 5.714 306 HD23 LEU 37 HD23 LEU 37 0.853 -11.372 4.902 307 H SER 38 HN SER 38 -0.013 -8.589 7.832 308 HA SER 38 HA SER 38 -1.615 -6.606 9.278 309 HB2 SER 38 HB2 SER 38 1.280 -7.398 9.691 310 HB3 SER 38 HB1 SER 38 0.326 -6.347 10.739 311 HG SER 38 HG SER 38 0.541 -8.690 11.301 312 HA PRO 39 HA PRO 39 -0.319 -3.436 6.475 313 HB2 PRO 39 HB2 PRO 39 -0.950 -1.279 8.006 314 HB3 PRO 39 HB1 PRO 39 -2.158 -2.261 7.167 315 HG2 PRO 39 HG2 PRO 39 -1.330 -2.358 10.035 316 HG3 PRO 39 HG1 PRO 39 -2.957 -2.448 9.332 317 HD2 PRO 39 HD2 PRO 39 -1.630 -4.641 10.164 318 HD3 PRO 39 HD1 PRO 39 -2.748 -4.671 8.785 319 H GLU 40 HN GLU 40 1.013 -3.735 9.676 320 HA GLU 40 HA GLU 40 2.942 -1.633 9.410 321 HB2 GLU 40 HB2 GLU 40 3.946 -2.695 11.464 322 HB3 GLU 40 HB1 GLU 40 2.271 -2.181 11.619 323 HG2 GLU 40 HG2 GLU 40 1.519 -4.471 11.312 324 HG3 GLU 40 HG1 GLU 40 3.188 -5.004 11.107 325 H ASP 41 HN ASP 41 2.758 -4.801 8.211 326 HA ASP 41 HA ASP 41 5.662 -5.081 7.969 327 HB2 ASP 41 HB2 ASP 41 3.371 -6.984 7.518 328 HB3 ASP 41 HB1 ASP 41 5.017 -7.362 7.020 329 H ILE 42 HN ILE 42 2.793 -4.478 6.090 330 HA ILE 42 HA ILE 42 4.146 -4.845 3.556 331 HB ILE 42 HB ILE 42 1.494 -3.496 3.719 332 HG12 ILE 42 HG12 ILE 42 1.778 -6.492 3.988 333 HG13 ILE 42 HG11 ILE 42 1.485 -5.435 5.359 334 HG21 ILE 42 HG21 ILE 42 2.563 -3.843 1.567 335 HG22 ILE 42 HG22 ILE 42 1.091 -4.810 1.692 336 HG23 ILE 42 HG23 ILE 42 2.670 -5.575 1.882 337 HD11 ILE 42 HD11 ILE 42 -0.322 -5.902 3.005 338 HD12 ILE 42 HD12 ILE 42 -0.596 -4.665 4.230 339 HD13 ILE 42 HD13 ILE 42 -0.594 -6.367 4.686 340 H LYS 43 HN LYS 43 5.252 -3.338 2.535 341 HA LYS 43 HA LYS 43 4.811 -0.526 3.279 342 HB2 LYS 43 HB2 LYS 43 7.138 -1.896 3.533 343 HB3 LYS 43 HB1 LYS 43 7.324 -1.240 1.910 344 HG2 LYS 43 HG2 LYS 43 7.051 0.997 2.717 345 HG3 LYS 43 HG1 LYS 43 6.660 0.410 4.335 346 HD2 LYS 43 HD2 LYS 43 8.939 -0.639 4.401 347 HD3 LYS 43 HD1 LYS 43 9.300 0.208 2.895 348 HE2 LYS 43 HE2 LYS 43 8.872 2.348 3.984 349 HE3 LYS 43 HE1 LYS 43 8.470 1.511 5.484 350 HZ1 LYS 43 HZ1 LYS 43 10.738 2.363 5.503 351 HZ2 LYS 43 HZ2 LYS 43 11.118 1.443 4.136 352 HZ3 LYS 43 HZ3 LYS 43 10.728 0.673 5.591 353 H LEU 44 HN LEU 44 4.307 0.897 1.729 354 HA LEU 44 HA LEU 44 3.867 -0.146 -0.954 355 HB2 LEU 44 HB2 LEU 44 3.079 2.462 0.343 356 HB3 LEU 44 HB1 LEU 44 2.704 2.035 -1.317 357 HG LEU 44 HG LEU 44 1.826 0.184 0.850 358 HD11 LEU 44 HD11 LEU 44 1.168 2.366 1.695 359 HD12 LEU 44 HD12 LEU 44 -0.241 1.462 1.139 360 HD13 LEU 44 HD13 LEU 44 0.424 2.758 0.145 361 HD21 LEU 44 HD21 LEU 44 0.607 1.063 -1.767 362 HD22 LEU 44 HD22 LEU 44 -0.031 -0.183 -0.693 363 HD23 LEU 44 HD23 LEU 44 1.521 -0.420 -1.499 364 H THR 45 HN THR 45 5.000 0.447 -2.712 365 HA THR 45 HA THR 45 7.053 2.527 -2.359 366 HB THR 45 HB THR 45 7.544 0.261 -4.236 367 HG1 THR 45 HG1 THR 45 7.082 -0.884 -2.385 368 HG21 THR 45 HG21 THR 45 9.339 1.898 -2.447 369 HG22 THR 45 HG22 THR 45 9.077 2.169 -4.168 370 HG23 THR 45 HG23 THR 45 9.870 0.693 -3.619 371 H HIS 46 HN HIS 46 6.940 4.135 -3.755 372 HA HIS 46 HA HIS 46 5.760 3.669 -6.401 373 HB2 HIS 46 HB2 HIS 46 4.191 4.764 -4.616 374 HB3 HIS 46 HB1 HIS 46 5.156 6.205 -4.916 375 HD1 HIS 46 HD1 HIS 46 4.647 7.524 -6.995 376 HD2 HIS 46 HD2 HIS 46 2.718 3.844 -6.914 377 HE1 HIS 46 HE1 HIS 46 3.072 7.550 -8.954 378 HE2 HIS 46 HE2 HIS 46 1.914 5.311 -8.887 379 H ASN 47 HN ASN 47 7.073 4.324 -7.951 380 HA ASN 47 HA ASN 47 8.691 5.389 -9.124 381 HB2 ASN 47 HB2 ASN 47 7.251 7.383 -8.200 382 HB3 ASN 47 HB1 ASN 47 8.678 7.704 -7.223 383 HD21 ASN 47 HD21 ASN 47 9.267 9.574 -8.182 384 HD22 ASN 47 HD22 ASN 47 9.804 9.694 -9.819 385 H GLY 48 HN GLY 48 9.364 3.717 -6.755 386 HA2 GLY 48 HA2 GLY 48 11.500 2.916 -6.161 387 HA3 GLY 48 HA1 GLY 48 12.185 4.465 -6.626 388 H LYS 49 HN LYS 49 9.932 5.731 -4.947 389 HA LYS 49 HA LYS 49 11.421 5.602 -2.429 390 HB2 LYS 49 HB2 LYS 49 9.499 7.621 -3.573 391 HB3 LYS 49 HB1 LYS 49 10.009 7.668 -1.891 392 HG2 LYS 49 HG2 LYS 49 12.339 7.879 -2.607 393 HG3 LYS 49 HG1 LYS 49 11.818 7.847 -4.292 394 HD2 LYS 49 HD2 LYS 49 10.510 9.887 -3.919 395 HD3 LYS 49 HD1 LYS 49 11.045 9.918 -2.236 396 HE2 LYS 49 HE2 LYS 49 12.968 9.935 -4.548 397 HE3 LYS 49 HE1 LYS 49 12.296 11.416 -3.868 398 HZ1 LYS 49 HZ1 LYS 49 13.898 9.394 -2.396 399 HZ2 LYS 49 HZ2 LYS 49 13.229 10.789 -1.716 400 HZ3 LYS 49 HZ3 LYS 49 14.437 10.919 -2.892 401 H THR 50 HN THR 50 10.375 5.361 -0.433 402 HA THR 50 HA THR 50 7.951 3.742 -0.599 403 HB THR 50 HB THR 50 8.512 3.368 1.908 404 HG1 THR 50 HG1 THR 50 11.166 3.850 1.231 405 HG21 THR 50 HG21 THR 50 10.303 2.329 -0.293 406 HG22 THR 50 HG22 THR 50 8.766 1.635 0.222 407 HG23 THR 50 HG23 THR 50 10.151 1.614 1.313 408 H LEU 51 HN LEU 51 6.221 4.052 0.890 409 HA LEU 51 HA LEU 51 5.759 6.890 1.458 410 HB2 LEU 51 HB2 LEU 51 3.927 4.539 1.067 411 HB3 LEU 51 HB1 LEU 51 3.353 6.051 1.740 412 HG LEU 51 HG LEU 51 4.481 7.032 -0.462 413 HD11 LEU 51 HD11 LEU 51 3.692 4.229 -1.245 414 HD12 LEU 51 HD12 LEU 51 5.327 4.886 -1.245 415 HD13 LEU 51 HD13 LEU 51 4.119 5.530 -2.355 416 HD21 LEU 51 HD21 LEU 51 1.775 5.750 -0.186 417 HD22 LEU 51 HD22 LEU 51 2.235 6.756 -1.559 418 HD23 LEU 51 HD23 LEU 51 2.211 7.440 0.067 419 H ASP 52 HN ASP 52 5.384 7.650 3.474 420 HA ASP 52 HA ASP 52 5.936 5.847 5.682 421 HB2 ASP 52 HB2 ASP 52 6.867 8.283 5.302 422 HB3 ASP 52 HB1 ASP 52 5.361 8.752 6.085 423 HA PRO 53 HA PRO 53 1.646 5.263 6.703 424 HB2 PRO 53 HB2 PRO 53 2.574 4.665 9.425 425 HB3 PRO 53 HB1 PRO 53 1.751 3.619 8.264 426 HG2 PRO 53 HG2 PRO 53 4.337 3.276 8.893 427 HG3 PRO 53 HG1 PRO 53 3.696 2.926 7.276 428 HD2 PRO 53 HD2 PRO 53 5.275 5.273 8.215 429 HD3 PRO 53 HD1 PRO 53 5.352 4.393 6.675 430 H SER 54 HN SER 54 3.748 7.393 8.501 431 HA SER 54 HA SER 54 1.639 8.467 10.152 432 HB2 SER 54 HB2 SER 54 4.477 9.408 9.721 433 HB3 SER 54 HB1 SER 54 3.373 10.028 10.947 434 HG SER 54 HG SER 54 4.609 7.508 10.773 435 H LEU 55 HN LEU 55 3.123 9.281 7.088 436 HA LEU 55 HA LEU 55 2.021 11.933 7.080 437 HB2 LEU 55 HB2 LEU 55 3.726 10.308 5.256 438 HB3 LEU 55 HB1 LEU 55 2.978 11.759 4.693 439 HG LEU 55 HG LEU 55 4.658 11.810 7.165 440 HD11 LEU 55 HD11 LEU 55 6.071 10.778 5.502 441 HD12 LEU 55 HD12 LEU 55 6.580 12.447 5.758 442 HD13 LEU 55 HD13 LEU 55 5.643 12.019 4.324 443 HD21 LEU 55 HD21 LEU 55 5.008 14.141 6.489 444 HD22 LEU 55 HD22 LEU 55 3.297 13.767 6.693 445 HD23 LEU 55 HD23 LEU 55 3.988 13.878 5.074 446 H THR 56 HN THR 56 1.203 12.381 4.621 447 HA THR 56 HA THR 56 -1.188 10.686 4.346 448 HB THR 56 HB THR 56 -2.233 12.654 3.214 449 HG1 THR 56 HG1 THR 56 -0.697 14.588 4.178 450 HG21 THR 56 HG21 THR 56 -1.256 12.959 6.047 451 HG22 THR 56 HG22 THR 56 -2.806 12.320 5.497 452 HG23 THR 56 HG23 THR 56 -2.445 14.036 5.316 453 H LEU 57 HN LEU 57 -2.076 10.476 2.156 454 HA LEU 57 HA LEU 57 -0.061 9.626 0.321 455 HB2 LEU 57 HB2 LEU 57 -3.059 9.822 0.086 456 HB3 LEU 57 HB1 LEU 57 -2.029 9.124 -1.151 457 HG LEU 57 HG LEU 57 -1.828 8.035 1.617 458 HD11 LEU 57 HD11 LEU 57 -4.062 7.357 -0.291 459 HD12 LEU 57 HD12 LEU 57 -4.231 8.174 1.263 460 HD13 LEU 57 HD13 LEU 57 -3.679 6.501 1.204 461 HD21 LEU 57 HD21 LEU 57 -0.329 7.248 -0.144 462 HD22 LEU 57 HD22 LEU 57 -1.720 6.778 -1.123 463 HD23 LEU 57 HD23 LEU 57 -1.403 5.963 0.409 464 H ALA 58 HN ALA 58 -2.061 12.472 0.626 465 HA ALA 58 HA ALA 58 -1.532 13.405 -2.049 466 HB1 ALA 58 HB1 ALA 58 -3.657 13.891 -0.939 467 HB2 ALA 58 HB2 ALA 58 -2.814 15.365 -1.415 468 HB3 ALA 58 HB3 ALA 58 -2.799 14.842 0.272 469 H GLU 59 HN GLU 59 0.307 13.379 0.741 470 HA GLU 59 HA GLU 59 1.527 15.984 0.414 471 HB2 GLU 59 HB2 GLU 59 1.256 14.346 2.560 472 HB3 GLU 59 HB1 GLU 59 2.896 13.951 2.061 473 HG2 GLU 59 HG2 GLU 59 2.159 16.816 2.297 474 HG3 GLU 59 HG1 GLU 59 2.383 15.885 3.776 475 H TYR 60 HN TYR 60 2.058 12.730 -0.611 476 HA TYR 60 HA TYR 60 4.798 13.145 -1.379 477 HB2 TYR 60 HB2 TYR 60 2.866 10.889 -1.387 478 HB3 TYR 60 HB1 TYR 60 4.209 10.813 -2.517 479 HD1 TYR 60 HD1 TYR 60 6.515 10.652 -1.704 480 HD2 TYR 60 HD2 TYR 60 3.225 10.707 0.995 481 HE1 TYR 60 HE1 TYR 60 7.984 9.855 0.100 482 HE2 TYR 60 HE2 TYR 60 4.687 9.912 2.804 483 HH TYR 60 HH TYR 60 6.835 8.649 3.012 484 H GLY 61 HN GLY 61 1.710 13.613 -2.824 485 HA2 GLY 61 HA2 GLY 61 1.293 14.719 -4.837 486 HA3 GLY 61 HA1 GLY 61 2.987 14.529 -5.263 487 H ILE 62 HN ILE 62 0.527 12.101 -4.406 488 HA ILE 62 HA ILE 62 1.179 10.709 -6.912 489 HB ILE 62 HB ILE 62 -0.378 9.519 -4.632 490 HG12 ILE 62 HG12 ILE 62 2.472 8.815 -4.825 491 HG13 ILE 62 HG11 ILE 62 2.165 10.468 -4.299 492 HG21 ILE 62 HG21 ILE 62 -0.455 8.341 -6.768 493 HG22 ILE 62 HG22 ILE 62 0.425 7.407 -5.558 494 HG23 ILE 62 HG23 ILE 62 1.310 8.287 -6.806 495 HD11 ILE 62 HD11 ILE 62 2.400 8.845 -2.449 496 HD12 ILE 62 HD12 ILE 62 0.947 8.032 -3.030 497 HD13 ILE 62 HD13 ILE 62 0.855 9.696 -2.456 498 H THR 63 HN THR 63 -0.390 10.069 -8.350 499 HA THR 63 HA THR 63 -3.101 11.107 -7.873 500 HB THR 63 HB THR 63 -3.217 11.352 -10.416 501 HG1 THR 63 HG1 THR 63 -1.127 11.657 -11.388 502 HG21 THR 63 HG21 THR 63 -1.320 13.122 -8.868 503 HG22 THR 63 HG22 THR 63 -3.077 13.269 -8.903 504 HG23 THR 63 HG23 THR 63 -2.140 13.557 -10.368 505 HA PRO 64 HA PRO 64 -4.619 7.044 -8.735 506 HB2 PRO 64 HB2 PRO 64 -6.969 8.138 -10.073 507 HB3 PRO 64 HB1 PRO 64 -6.859 7.324 -8.509 508 HG2 PRO 64 HG2 PRO 64 -7.409 9.954 -8.723 509 HG3 PRO 64 HG1 PRO 64 -6.520 9.267 -7.350 510 HD2 PRO 64 HD2 PRO 64 -5.470 10.735 -9.731 511 HD3 PRO 64 HD1 PRO 64 -4.986 10.848 -8.028 512 H GLY 65 HN GLY 65 -5.068 5.523 -10.402 513 HA2 GLY 65 HA2 GLY 65 -5.380 4.916 -12.687 514 HA3 GLY 65 HA1 GLY 65 -4.774 6.496 -13.158 515 H SER 66 HN SER 66 -2.807 5.402 -10.758 516 HA SER 66 HA SER 66 -0.839 4.426 -12.708 517 HB2 SER 66 HB2 SER 66 -0.422 5.562 -9.930 518 HB3 SER 66 HB1 SER 66 0.862 5.038 -11.017 519 HG SER 66 HG SER 66 0.112 6.651 -12.494 520 H THR 67 HN THR 67 0.558 2.676 -12.110 521 HA THR 67 HA THR 67 -0.856 0.615 -10.629 522 HB THR 67 HB THR 67 1.131 -0.809 -11.452 523 HG1 THR 67 HG1 THR 67 2.608 0.208 -12.568 524 HG21 THR 67 HG21 THR 67 0.137 -1.052 -13.675 525 HG22 THR 67 HG22 THR 67 -0.696 0.490 -13.480 526 HG23 THR 67 HG23 THR 67 -1.116 -0.876 -12.446 527 H ILE 68 HN ILE 68 -0.386 0.056 -8.594 528 HA ILE 68 HA ILE 68 2.114 1.102 -7.429 529 HB ILE 68 HB ILE 68 -0.344 0.266 -5.891 530 HG12 ILE 68 HG12 ILE 68 0.353 3.135 -6.172 531 HG13 ILE 68 HG11 ILE 68 -0.354 2.361 -7.585 532 HG21 ILE 68 HG21 ILE 68 2.047 1.926 -5.097 533 HG22 ILE 68 HG22 ILE 68 1.743 0.257 -4.614 534 HG23 ILE 68 HG23 ILE 68 0.664 1.542 -4.069 535 HD11 ILE 68 HD11 ILE 68 -2.025 3.464 -6.179 536 HD12 ILE 68 HD12 ILE 68 -1.582 2.404 -4.840 537 HD13 ILE 68 HD13 ILE 68 -2.299 1.726 -6.302 538 H THR 69 HN THR 69 3.519 -0.219 -6.397 539 HA THR 69 HA THR 69 2.888 -3.098 -6.347 540 HB THR 69 HB THR 69 5.722 -2.143 -6.416 541 HG1 THR 69 HG1 THR 69 4.065 -2.411 -8.724 542 HG21 THR 69 HG21 THR 69 5.128 -4.541 -6.107 543 HG22 THR 69 HG22 THR 69 6.100 -4.240 -7.548 544 HG23 THR 69 HG23 THR 69 4.365 -4.519 -7.697 545 H LEU 70 HN LEU 70 3.077 -4.135 -4.437 546 HA LEU 70 HA LEU 70 4.061 -2.566 -2.156 547 HB2 LEU 70 HB2 LEU 70 2.714 -4.004 -0.743 548 HB3 LEU 70 HB1 LEU 70 1.730 -3.292 -2.007 549 HG LEU 70 HG LEU 70 2.517 -5.710 -3.100 550 HD11 LEU 70 HD11 LEU 70 1.825 -6.124 -0.197 551 HD12 LEU 70 HD12 LEU 70 3.385 -6.456 -0.951 552 HD13 LEU 70 HD13 LEU 70 1.963 -7.385 -1.419 553 HD21 LEU 70 HD21 LEU 70 0.001 -4.939 -1.636 554 HD22 LEU 70 HD22 LEU 70 0.162 -6.365 -2.663 555 HD23 LEU 70 HD23 LEU 70 0.336 -4.753 -3.359 556 H GLU 71 HN GLU 71 5.159 -3.754 -0.429 557 HA GLU 71 HA GLU 71 6.574 -6.164 -1.293 558 HB2 GLU 71 HB2 GLU 71 7.865 -3.580 -0.437 559 HB3 GLU 71 HB1 GLU 71 8.696 -5.121 -0.278 560 HG2 GLU 71 HG2 GLU 71 8.458 -5.482 -2.694 561 HG3 GLU 71 HG1 GLU 71 7.677 -3.908 -2.838 562 H ILE 72 HN ILE 72 7.424 -7.423 0.415 563 HA ILE 72 HA ILE 72 6.435 -6.716 3.102 564 HB ILE 72 HB ILE 72 6.544 -9.549 2.068 565 HG12 ILE 72 HG12 ILE 72 3.875 -8.989 2.270 566 HG13 ILE 72 HG11 ILE 72 4.500 -7.477 1.623 567 HG21 ILE 72 HG21 ILE 72 5.141 -8.302 4.428 568 HG22 ILE 72 HG22 ILE 72 6.590 -9.307 4.485 569 HG23 ILE 72 HG23 ILE 72 5.058 -10.003 3.963 570 HD11 ILE 72 HD11 ILE 72 5.494 -8.682 -0.244 571 HD12 ILE 72 HD12 ILE 72 3.758 -8.973 -0.143 572 HD13 ILE 72 HD13 ILE 72 4.893 -10.204 0.411 573 H LYS 73 HN LYS 73 7.840 -7.045 4.773 574 HA LYS 73 HA LYS 73 10.539 -7.908 4.026 575 HB2 LYS 73 HB2 LYS 73 11.166 -6.912 6.269 576 HB3 LYS 73 HB1 LYS 73 10.586 -5.776 5.060 577 HG2 LYS 73 HG2 LYS 73 8.386 -5.761 6.129 578 HG3 LYS 73 HG1 LYS 73 8.973 -6.901 7.341 579 HD2 LYS 73 HD2 LYS 73 10.639 -5.267 8.071 580 HD3 LYS 73 HD1 LYS 73 10.057 -4.126 6.855 581 HE2 LYS 73 HE2 LYS 73 8.274 -5.287 8.980 582 HE3 LYS 73 HE1 LYS 73 9.201 -3.808 9.225 583 HZ1 LYS 73 HZ1 LYS 73 8.058 -2.810 7.356 584 HZ2 LYS 73 HZ2 LYS 73 6.934 -3.356 8.499 585 HZ3 LYS 73 HZ3 LYS 73 7.193 -4.240 7.078 586 H LYS 74 HN LYS 74 11.441 -9.717 4.776 587 HA LYS 74 HA LYS 74 10.134 -11.143 6.989 588 HB2 LYS 74 HB2 LYS 74 10.840 -12.224 4.271 589 HB3 LYS 74 HB1 LYS 74 10.714 -13.282 5.669 590 HG2 LYS 74 HG2 LYS 74 8.397 -12.554 6.001 591 HG3 LYS 74 HG1 LYS 74 8.528 -11.523 4.575 592 HD2 LYS 74 HD2 LYS 74 8.988 -13.512 3.203 593 HD3 LYS 74 HD1 LYS 74 8.813 -14.529 4.636 594 HE2 LYS 74 HE2 LYS 74 6.497 -13.773 4.881 595 HE3 LYS 74 HE1 LYS 74 6.674 -12.760 3.449 596 HZ1 LYS 74 HZ1 LYS 74 7.073 -14.751 2.136 597 HZ2 LYS 74 HZ2 LYS 74 5.578 -14.845 2.924 598 HZ3 LYS 74 HZ3 LYS 74 6.900 -15.721 3.511 599 H LYS 75 HN LYS 75 12.995 -10.829 4.937 600 HA LYS 75 HA LYS 75 14.646 -12.082 7.006 601 HB2 LYS 75 HB2 LYS 75 15.140 -11.386 4.117 602 HB3 LYS 75 HB1 LYS 75 16.443 -11.864 5.197 603 HG2 LYS 75 HG2 LYS 75 14.045 -13.617 4.981 604 HG3 LYS 75 HG1 LYS 75 15.231 -13.620 3.673 605 HD2 LYS 75 HD2 LYS 75 17.002 -14.135 5.295 606 HD3 LYS 75 HD1 LYS 75 15.803 -14.149 6.590 607 HE2 LYS 75 HE2 LYS 75 14.644 -16.004 5.482 608 HE3 LYS 75 HE1 LYS 75 15.857 -15.992 4.202 609 HZ1 LYS 75 HZ1 LYS 75 17.543 -16.539 5.841 610 HZ2 LYS 75 HZ2 LYS 75 16.317 -17.703 5.842 611 HZ3 LYS 75 HZ3 LYS 75 16.382 -16.546 7.073 612 H GLY 76 HN GLY 76 16.423 -11.045 7.919 613 HA2 GLY 76 HA2 GLY 76 17.599 -8.670 7.336 614 HA3 GLY 76 HA1 GLY 76 16.142 -8.187 8.193 615 H GLY 77 HN GLY 77 15.807 -9.256 10.348 616 HA2 GLY 77 HA2 GLY 77 17.953 -10.478 11.722 617 HA3 GLY 77 HA1 GLY 77 17.968 -8.750 12.041 618 H LEU 78 HN LEU 78 16.354 -7.830 13.301 619 HA LEU 78 HA LEU 78 14.816 -9.773 14.862 620 HB2 LEU 78 HB2 LEU 78 16.407 -7.729 15.700 621 HB3 LEU 78 HB1 LEU 78 14.834 -6.956 15.725 622 HG LEU 78 HG LEU 78 15.416 -7.873 17.917 623 HD11 LEU 78 HD11 LEU 78 13.195 -9.507 16.716 624 HD12 LEU 78 HD12 LEU 78 13.042 -7.799 17.127 625 HD13 LEU 78 HD13 LEU 78 13.369 -8.986 18.390 626 HD21 LEU 78 HD21 LEU 78 15.778 -10.162 18.333 627 HD22 LEU 78 HD22 LEU 78 16.795 -9.765 16.946 628 HD23 LEU 78 HD23 LEU 78 15.270 -10.620 16.707 629 H GLU 79 HN GLU 79 12.869 -10.133 14.118 630 HA GLU 79 HA GLU 79 10.708 -9.850 13.519 631 HB2 GLU 79 HB2 GLU 79 11.302 -7.046 14.438 632 HB3 GLU 79 HB1 GLU 79 9.736 -7.477 13.764 633 HG2 GLU 79 HG2 GLU 79 9.452 -9.169 15.503 634 HG3 GLU 79 HG1 GLU 79 11.022 -8.731 16.178 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 -9.436 8.311 -12.576 2 H2 MET 1 HT2 MET 1 -10.389 7.348 -11.563 3 H3 MET 1 HT3 MET 1 -8.819 7.771 -11.096 4 HA MET 1 HA MET 1 -9.454 10.099 -11.003 5 HB2 MET 1 HB2 MET 1 -12.125 8.932 -11.764 6 HB3 MET 1 HB1 MET 1 -11.987 10.493 -10.965 7 HG2 MET 1 HG2 MET 1 -10.565 11.286 -12.804 8 HG3 MET 1 HG1 MET 1 -10.774 9.732 -13.610 9 HE1 MET 1 HE1 MET 1 -11.360 12.503 -15.005 10 HE2 MET 1 HE2 MET 1 -12.905 12.206 -15.798 11 HE3 MET 1 HE3 MET 1 -11.646 10.972 -15.828 12 H ASP 2 HN ASP 2 -11.062 7.198 -9.848 13 HA ASP 2 HA ASP 2 -10.728 8.177 -7.102 14 HB2 ASP 2 HB2 ASP 2 -13.236 6.995 -8.296 15 HB3 ASP 2 HB1 ASP 2 -12.942 7.024 -6.562 16 H THR 3 HN THR 3 -10.349 5.731 -9.389 17 HA THR 3 HA THR 3 -10.026 3.661 -7.329 18 HB THR 3 HB THR 3 -9.974 2.087 -9.340 19 HG1 THR 3 HG1 THR 3 -11.437 3.456 -11.001 20 HG21 THR 3 HG21 THR 3 -11.910 2.285 -7.851 21 HG22 THR 3 HG22 THR 3 -12.418 2.047 -9.524 22 HG23 THR 3 HG23 THR 3 -12.501 3.653 -8.795 23 H ILE 4 HN ILE 4 -8.191 2.389 -7.257 24 HA ILE 4 HA ILE 4 -5.883 3.245 -8.861 25 HB ILE 4 HB ILE 4 -4.470 2.908 -6.768 26 HG12 ILE 4 HG12 ILE 4 -6.891 3.635 -5.180 27 HG13 ILE 4 HG11 ILE 4 -6.663 1.943 -5.603 28 HG21 ILE 4 HG21 ILE 4 -4.930 5.211 -5.951 29 HG22 ILE 4 HG22 ILE 4 -6.373 5.237 -6.963 30 HG23 ILE 4 HG23 ILE 4 -4.777 5.094 -7.703 31 HD11 ILE 4 HD11 ILE 4 -5.773 2.516 -3.387 32 HD12 ILE 4 HD12 ILE 4 -4.647 3.640 -4.150 33 HD13 ILE 4 HD13 ILE 4 -4.532 1.910 -4.483 34 H ASN 5 HN ASN 5 -4.178 1.649 -8.991 35 HA ASN 5 HA ASN 5 -5.209 -1.069 -8.801 36 HB2 ASN 5 HB2 ASN 5 -3.097 0.308 -10.397 37 HB3 ASN 5 HB1 ASN 5 -3.088 -1.422 -10.243 38 HD21 ASN 5 HD21 ASN 5 -3.361 0.038 -12.608 39 HD22 ASN 5 HD22 ASN 5 -4.895 -0.353 -13.271 40 H ILE 6 HN ILE 6 -3.876 -2.738 -7.973 41 HA ILE 6 HA ILE 6 -1.584 -1.927 -6.331 42 HB ILE 6 HB ILE 6 -3.845 -3.640 -5.269 43 HG12 ILE 6 HG12 ILE 6 -3.549 -1.516 -3.549 44 HG13 ILE 6 HG11 ILE 6 -3.291 -0.762 -5.119 45 HG21 ILE 6 HG21 ILE 6 -2.593 -3.482 -3.126 46 HG22 ILE 6 HG22 ILE 6 -1.258 -2.746 -4.012 47 HG23 ILE 6 HG23 ILE 6 -1.755 -4.399 -4.378 48 HD11 ILE 6 HD11 ILE 6 -5.436 -1.582 -5.887 49 HD12 ILE 6 HD12 ILE 6 -5.621 -0.644 -4.404 50 HD13 ILE 6 HD13 ILE 6 -5.691 -2.406 -4.347 51 H THR 7 HN THR 7 0.089 -3.180 -6.889 52 HA THR 7 HA THR 7 -0.491 -5.856 -7.962 53 HB THR 7 HB THR 7 2.219 -4.673 -8.284 54 HG1 THR 7 HG1 THR 7 0.027 -3.349 -9.026 55 HG21 THR 7 HG21 THR 7 0.394 -6.272 -10.083 56 HG22 THR 7 HG22 THR 7 1.719 -6.916 -9.115 57 HG23 THR 7 HG23 THR 7 2.058 -5.820 -10.455 58 H LEU 8 HN LEU 8 -0.181 -7.464 -6.616 59 HA LEU 8 HA LEU 8 1.728 -7.187 -4.431 60 HB2 LEU 8 HB2 LEU 8 0.596 -9.314 -3.632 61 HB3 LEU 8 HB1 LEU 8 -0.362 -7.860 -3.666 62 HG LEU 8 HG LEU 8 -0.578 -9.580 -6.051 63 HD11 LEU 8 HD11 LEU 8 -1.901 -10.326 -3.448 64 HD12 LEU 8 HD12 LEU 8 -0.522 -11.181 -4.140 65 HD13 LEU 8 HD13 LEU 8 -2.061 -11.146 -5.000 66 HD21 LEU 8 HD21 LEU 8 -2.560 -8.099 -4.318 67 HD22 LEU 8 HD22 LEU 8 -2.938 -8.927 -5.830 68 HD23 LEU 8 HD23 LEU 8 -1.873 -7.522 -5.839 69 HA PRO 9 HA PRO 9 4.841 -9.986 -5.835 70 HB2 PRO 9 HB2 PRO 9 4.161 -11.865 -3.621 71 HB3 PRO 9 HB1 PRO 9 5.723 -11.157 -4.062 72 HG2 PRO 9 HG2 PRO 9 4.418 -10.231 -1.962 73 HG3 PRO 9 HG1 PRO 9 5.249 -9.119 -3.067 74 HD2 PRO 9 HD2 PRO 9 2.338 -9.711 -2.828 75 HD3 PRO 9 HD1 PRO 9 3.156 -8.168 -3.141 76 H ASP 10 HN ASP 10 1.659 -11.340 -5.247 77 HA ASP 10 HA ASP 10 2.104 -13.852 -6.493 78 HB2 ASP 10 HB2 ASP 10 -0.407 -12.272 -5.950 79 HB3 ASP 10 HB1 ASP 10 -0.435 -13.847 -6.736 80 H GLY 11 HN GLY 11 1.487 -10.651 -7.683 81 HA2 GLY 11 HA2 GLY 11 2.153 -10.109 -9.931 82 HA3 GLY 11 HA1 GLY 11 1.718 -11.735 -10.419 83 H LYS 12 HN LYS 12 -0.821 -10.977 -8.584 84 HA LYS 12 HA LYS 12 -2.330 -10.056 -10.907 85 HB2 LYS 12 HB2 LYS 12 -4.321 -10.478 -9.305 86 HB3 LYS 12 HB1 LYS 12 -3.453 -11.859 -9.955 87 HG2 LYS 12 HG2 LYS 12 -2.132 -11.906 -7.818 88 HG3 LYS 12 HG1 LYS 12 -3.258 -10.701 -7.189 89 HD2 LYS 12 HD2 LYS 12 -5.123 -12.249 -7.647 90 HD3 LYS 12 HD1 LYS 12 -3.960 -13.458 -8.192 91 HE2 LYS 12 HE2 LYS 12 -2.927 -13.456 -5.972 92 HE3 LYS 12 HE1 LYS 12 -4.097 -12.253 -5.430 93 HZ1 LYS 12 HZ1 LYS 12 -4.743 -14.998 -6.363 94 HZ2 LYS 12 HZ2 LYS 12 -5.870 -13.844 -5.853 95 HZ3 LYS 12 HZ3 LYS 12 -4.749 -14.474 -4.754 96 H THR 13 HN THR 13 -4.048 -8.405 -10.552 97 HA THR 13 HA THR 13 -3.049 -6.306 -8.749 98 HB THR 13 HB THR 13 -4.234 -4.729 -10.404 99 HG1 THR 13 HG1 THR 13 -3.738 -6.404 -12.491 100 HG21 THR 13 HG21 THR 13 -1.775 -6.238 -11.293 101 HG22 THR 13 HG22 THR 13 -1.797 -4.889 -10.159 102 HG23 THR 13 HG23 THR 13 -2.260 -4.634 -11.841 103 H LEU 14 HN LEU 14 -4.602 -4.847 -7.862 104 HA LEU 14 HA LEU 14 -7.347 -5.888 -7.743 105 HB2 LEU 14 HB2 LEU 14 -5.866 -6.469 -5.724 106 HB3 LEU 14 HB1 LEU 14 -5.947 -4.761 -5.335 107 HG LEU 14 HG LEU 14 -8.558 -5.206 -5.554 108 HD11 LEU 14 HD11 LEU 14 -7.420 -7.884 -4.765 109 HD12 LEU 14 HD12 LEU 14 -8.362 -7.523 -6.213 110 HD13 LEU 14 HD13 LEU 14 -9.115 -7.413 -4.622 111 HD21 LEU 14 HD21 LEU 14 -6.890 -5.933 -3.146 112 HD22 LEU 14 HD22 LEU 14 -8.611 -5.545 -3.127 113 HD23 LEU 14 HD23 LEU 14 -7.437 -4.315 -3.587 114 H THR 15 HN THR 15 -8.962 -4.335 -7.344 115 HA THR 15 HA THR 15 -8.108 -1.583 -7.929 116 HB THR 15 HB THR 15 -10.960 -2.430 -8.185 117 HG1 THR 15 HG1 THR 15 -9.423 -3.979 -9.278 118 HG21 THR 15 HG21 THR 15 -9.171 -0.561 -9.744 119 HG22 THR 15 HG22 THR 15 -10.373 -0.098 -8.539 120 HG23 THR 15 HG23 THR 15 -10.885 -0.829 -10.061 121 H LEU 16 HN LEU 16 -8.243 -0.139 -6.352 122 HA LEU 16 HA LEU 16 -10.219 -0.587 -4.208 123 HB2 LEU 16 HB2 LEU 16 -7.735 -0.984 -3.649 124 HB3 LEU 16 HB1 LEU 16 -7.578 0.759 -3.741 125 HG LEU 16 HG LEU 16 -9.548 0.744 -2.009 126 HD11 LEU 16 HD11 LEU 16 -9.970 -1.658 -2.127 127 HD12 LEU 16 HD12 LEU 16 -9.466 -1.180 -0.506 128 HD13 LEU 16 HD13 LEU 16 -8.322 -1.980 -1.585 129 HD21 LEU 16 HD21 LEU 16 -6.723 -0.017 -1.278 130 HD22 LEU 16 HD22 LEU 16 -7.907 0.708 -0.192 131 HD23 LEU 16 HD23 LEU 16 -7.314 1.616 -1.582 132 H THR 17 HN THR 17 -11.185 1.253 -3.294 133 HA THR 17 HA THR 17 -10.935 3.686 -4.935 134 HB THR 17 HB THR 17 -13.337 3.191 -3.225 135 HG1 THR 17 HG1 THR 17 -13.321 2.235 -5.872 136 HG21 THR 17 HG21 THR 17 -13.079 5.333 -4.386 137 HG22 THR 17 HG22 THR 17 -14.457 4.430 -5.016 138 HG23 THR 17 HG23 THR 17 -12.946 4.486 -5.925 139 H VAL 18 HN VAL 18 -9.955 5.339 -3.957 140 HA VAL 18 HA VAL 18 -10.396 5.746 -1.079 141 HB VAL 18 HB VAL 18 -7.962 6.525 -0.942 142 HG11 VAL 18 HG11 VAL 18 -7.145 4.287 -0.449 143 HG12 VAL 18 HG12 VAL 18 -8.500 3.584 -1.330 144 HG13 VAL 18 HG13 VAL 18 -8.789 4.501 0.151 145 HG21 VAL 18 HG21 VAL 18 -7.888 4.985 -3.523 146 HG22 VAL 18 HG22 VAL 18 -6.455 5.254 -2.532 147 HG23 VAL 18 HG23 VAL 18 -7.326 6.627 -3.212 148 H THR 19 HN THR 19 -9.234 7.962 -0.482 149 HA THR 19 HA THR 19 -9.754 9.929 -2.606 150 HB THR 19 HB THR 19 -10.755 11.430 -0.786 151 HG1 THR 19 HG1 THR 19 -10.567 10.483 1.116 152 HG21 THR 19 HG21 THR 19 -13.008 10.482 -1.048 153 HG22 THR 19 HG22 THR 19 -12.300 8.986 -1.660 154 HG23 THR 19 HG23 THR 19 -12.117 10.485 -2.569 155 HA PRO 20 HA PRO 20 -6.069 11.975 -1.275 156 HB2 PRO 20 HB2 PRO 20 -7.498 14.551 -1.047 157 HB3 PRO 20 HB1 PRO 20 -6.161 14.099 -2.112 158 HG2 PRO 20 HG2 PRO 20 -8.617 14.434 -3.084 159 HG3 PRO 20 HG1 PRO 20 -7.546 13.161 -3.702 160 HD2 PRO 20 HD2 PRO 20 -9.836 12.934 -1.797 161 HD3 PRO 20 HD1 PRO 20 -9.376 11.872 -3.142 162 H GLU 21 HN GLU 21 -8.890 12.154 0.685 163 HA GLU 21 HA GLU 21 -7.561 13.453 2.911 164 HB2 GLU 21 HB2 GLU 21 -10.119 13.509 2.172 165 HB3 GLU 21 HB1 GLU 21 -10.197 12.115 3.242 166 HG2 GLU 21 HG2 GLU 21 -9.313 13.445 5.070 167 HG3 GLU 21 HG1 GLU 21 -9.167 14.839 4.001 168 H PHE 22 HN PHE 22 -7.633 10.365 1.664 169 HA PHE 22 HA PHE 22 -7.659 8.906 4.134 170 HB2 PHE 22 HB2 PHE 22 -7.545 8.331 1.256 171 HB3 PHE 22 HB1 PHE 22 -6.613 7.238 2.235 172 HD1 PHE 22 HD2 PHE 22 -9.965 8.843 2.282 173 HD2 PHE 22 HD1 PHE 22 -7.671 5.321 2.942 174 HE1 PHE 22 HE2 PHE 22 -12.023 7.613 2.829 175 HE2 PHE 22 HE1 PHE 22 -9.726 4.084 3.490 176 HZ PHE 22 HZ PHE 22 -11.905 5.230 3.435 177 H THR 23 HN THR 23 -5.900 8.184 5.263 178 HA THR 23 HA THR 23 -3.347 9.411 4.614 179 HB THR 23 HB THR 23 -2.623 8.314 6.797 180 HG1 THR 23 HG1 THR 23 -4.176 7.397 8.058 181 HG21 THR 23 HG21 THR 23 -3.206 10.662 6.714 182 HG22 THR 23 HG22 THR 23 -3.848 9.949 8.193 183 HG23 THR 23 HG23 THR 23 -4.922 10.270 6.831 184 H VAL 24 HN VAL 24 -1.337 7.964 4.998 185 HA VAL 24 HA VAL 24 -1.408 5.851 3.107 186 HB VAL 24 HB VAL 24 0.765 6.340 5.153 187 HG11 VAL 24 HG11 VAL 24 0.955 4.219 3.965 188 HG12 VAL 24 HG12 VAL 24 2.227 5.332 3.461 189 HG13 VAL 24 HG13 VAL 24 0.831 5.060 2.419 190 HG21 VAL 24 HG21 VAL 24 1.832 7.759 3.462 191 HG22 VAL 24 HG22 VAL 24 0.278 8.416 3.977 192 HG23 VAL 24 HG23 VAL 24 0.416 7.585 2.426 193 H LYS 25 HN LYS 25 -1.647 6.020 6.585 194 HA LYS 25 HA LYS 25 -1.337 3.235 7.100 195 HB2 LYS 25 HB2 LYS 25 -1.221 5.369 8.674 196 HB3 LYS 25 HB1 LYS 25 -2.919 4.986 8.920 197 HG2 LYS 25 HG2 LYS 25 -2.323 2.751 9.673 198 HG3 LYS 25 HG1 LYS 25 -0.616 3.109 9.398 199 HD2 LYS 25 HD2 LYS 25 -0.703 4.880 11.068 200 HD3 LYS 25 HD1 LYS 25 -2.422 4.571 11.322 201 HE2 LYS 25 HE2 LYS 25 -1.894 2.304 12.083 202 HE3 LYS 25 HE1 LYS 25 -0.178 2.620 11.832 203 HZ1 LYS 25 HZ1 LYS 25 -0.802 2.885 14.150 204 HZ2 LYS 25 HZ2 LYS 25 -1.939 4.068 13.737 205 HZ3 LYS 25 HZ3 LYS 25 -0.291 4.362 13.500 206 H GLU 26 HN GLU 26 -4.044 5.326 6.334 207 HA GLU 26 HA GLU 26 -6.083 3.446 6.995 208 HB2 GLU 26 HB2 GLU 26 -6.111 6.088 6.550 209 HB3 GLU 26 HB1 GLU 26 -6.620 5.536 4.958 210 HG2 GLU 26 HG2 GLU 26 -8.606 4.704 5.731 211 HG3 GLU 26 HG1 GLU 26 -7.984 4.416 7.355 212 H LEU 27 HN LEU 27 -4.615 4.485 3.911 213 HA LEU 27 HA LEU 27 -6.053 2.756 2.247 214 HB2 LEU 27 HB2 LEU 27 -4.553 4.715 1.625 215 HB3 LEU 27 HB1 LEU 27 -3.200 3.618 1.814 216 HG LEU 27 HG LEU 27 -5.378 2.735 -0.002 217 HD11 LEU 27 HD11 LEU 27 -4.541 4.072 -1.854 218 HD12 LEU 27 HD12 LEU 27 -3.435 4.909 -0.765 219 HD13 LEU 27 HD13 LEU 27 -5.177 5.102 -0.571 220 HD21 LEU 27 HD21 LEU 27 -2.365 2.667 -0.138 221 HD22 LEU 27 HD22 LEU 27 -3.457 1.948 -1.321 222 HD23 LEU 27 HD23 LEU 27 -3.427 1.339 0.333 223 H ALA 28 HN ALA 28 -3.168 2.245 4.191 224 HA ALA 28 HA ALA 28 -2.453 -0.269 3.063 225 HB1 ALA 28 HB1 ALA 28 -0.902 -0.451 4.926 226 HB2 ALA 28 HB2 ALA 28 -1.693 0.906 5.730 227 HB3 ALA 28 HB3 ALA 28 -0.837 1.161 4.209 228 H GLU 29 HN GLU 29 -4.479 0.676 5.810 229 HA GLU 29 HA GLU 29 -4.725 -1.975 6.841 230 HB2 GLU 29 HB2 GLU 29 -6.176 -1.092 8.446 231 HB3 GLU 29 HB1 GLU 29 -5.095 0.245 8.085 232 HG2 GLU 29 HG2 GLU 29 -6.826 1.133 6.530 233 HG3 GLU 29 HG1 GLU 29 -7.911 -0.134 7.103 234 H GLU 30 HN GLU 30 -6.335 -0.195 4.348 235 HA GLU 30 HA GLU 30 -8.721 -1.759 4.249 236 HB2 GLU 30 HB2 GLU 30 -7.523 0.431 2.747 237 HB3 GLU 30 HB1 GLU 30 -8.336 -0.724 1.700 238 HG2 GLU 30 HG2 GLU 30 -10.361 -0.481 3.130 239 HG3 GLU 30 HG1 GLU 30 -9.530 0.811 3.995 240 H ILE 31 HN ILE 31 -5.738 -1.741 2.296 241 HA ILE 31 HA ILE 31 -6.471 -3.958 0.687 242 HB ILE 31 HB ILE 31 -4.786 -2.268 0.003 243 HG12 ILE 31 HG12 ILE 31 -3.022 -4.081 -0.728 244 HG13 ILE 31 HG11 ILE 31 -4.193 -5.200 -0.034 245 HG21 ILE 31 HG21 ILE 31 -3.630 -2.066 2.168 246 HG22 ILE 31 HG22 ILE 31 -2.517 -2.365 0.833 247 HG23 ILE 31 HG23 ILE 31 -2.947 -3.675 1.932 248 HD11 ILE 31 HD11 ILE 31 -5.875 -4.493 -1.560 249 HD12 ILE 31 HD12 ILE 31 -4.415 -4.848 -2.483 250 HD13 ILE 31 HD13 ILE 31 -4.862 -3.174 -2.147 251 H ALA 32 HN ALA 32 -4.774 -3.678 3.748 252 HA ALA 32 HA ALA 32 -3.698 -6.304 3.792 253 HB1 ALA 32 HB1 ALA 32 -4.320 -4.511 6.132 254 HB2 ALA 32 HB2 ALA 32 -2.844 -4.440 5.168 255 HB3 ALA 32 HB3 ALA 32 -3.210 -5.883 6.115 256 H ARG 33 HN ARG 33 -6.809 -4.979 4.624 257 HA ARG 33 HA ARG 33 -7.690 -7.124 6.263 258 HB2 ARG 33 HB2 ARG 33 -8.622 -4.631 5.718 259 HB3 ARG 33 HB1 ARG 33 -9.745 -5.621 4.793 260 HG2 ARG 33 HG2 ARG 33 -10.324 -6.874 6.785 261 HG3 ARG 33 HG1 ARG 33 -9.147 -5.957 7.724 262 HD2 ARG 33 HD2 ARG 33 -11.190 -4.933 8.203 263 HD3 ARG 33 HD1 ARG 33 -10.448 -3.883 6.997 264 HE ARG 33 HE ARG 33 -12.072 -5.765 5.694 265 HH11 ARG 33 HH12 ARG 33 -12.347 -2.987 7.782 266 HH12 ARG 33 HH11 ARG 33 -13.909 -2.532 7.188 267 HH21 ARG 33 HH21 ARG 33 -14.134 -5.180 4.912 268 HH22 ARG 33 HH22 ARG 33 -14.925 -3.781 5.557 269 H ARG 34 HN ARG 34 -7.775 -6.548 2.804 270 HA ARG 34 HA ARG 34 -9.626 -8.691 2.282 271 HB2 ARG 34 HB2 ARG 34 -8.095 -6.751 0.613 272 HB3 ARG 34 HB1 ARG 34 -8.706 -8.212 -0.151 273 HG2 ARG 34 HG2 ARG 34 -10.483 -6.854 -0.524 274 HG3 ARG 34 HG1 ARG 34 -10.941 -7.464 1.069 275 HD2 ARG 34 HD2 ARG 34 -9.970 -5.485 2.113 276 HD3 ARG 34 HD1 ARG 34 -9.477 -4.882 0.532 277 HE ARG 34 HE ARG 34 -12.213 -5.285 0.400 278 HH11 ARG 34 HH12 ARG 34 -9.991 -3.339 2.250 279 HH12 ARG 34 HH11 ARG 34 -11.117 -2.046 2.491 280 HH21 ARG 34 HH22 ARG 34 -13.709 -3.574 0.709 281 HH22 ARG 34 HH21 ARG 34 -13.228 -2.180 1.616 282 H LEU 35 HN LEU 35 -6.166 -8.362 2.485 283 HA LEU 35 HA LEU 35 -5.761 -10.952 1.202 284 HB2 LEU 35 HB2 LEU 35 -3.811 -8.894 2.229 285 HB3 LEU 35 HB1 LEU 35 -3.332 -10.431 1.532 286 HG LEU 35 HG LEU 35 -5.079 -8.603 -0.065 287 HD11 LEU 35 HD11 LEU 35 -2.091 -8.323 0.209 288 HD12 LEU 35 HD12 LEU 35 -3.298 -7.154 0.744 289 HD13 LEU 35 HD13 LEU 35 -3.100 -7.495 -0.976 290 HD21 LEU 35 HD21 LEU 35 -4.619 -10.849 -0.895 291 HD22 LEU 35 HD22 LEU 35 -2.885 -10.546 -0.779 292 HD23 LEU 35 HD23 LEU 35 -3.867 -9.630 -1.924 293 H GLY 36 HN GLY 36 -6.085 -9.617 4.332 294 HA2 GLY 36 HA2 GLY 36 -6.272 -10.761 6.340 295 HA3 GLY 36 HA1 GLY 36 -5.743 -12.225 5.525 296 H LEU 37 HN LEU 37 -4.066 -9.109 5.675 297 HA LEU 37 HA LEU 37 -2.002 -10.355 7.358 298 HB2 LEU 37 HB2 LEU 37 -1.350 -8.521 5.066 299 HB3 LEU 37 HB1 LEU 37 -0.237 -9.445 6.046 300 HG LEU 37 HG LEU 37 -2.269 -10.914 4.423 301 HD11 LEU 37 HD11 LEU 37 -0.715 -10.955 2.526 302 HD12 LEU 37 HD12 LEU 37 0.301 -9.766 3.341 303 HD13 LEU 37 HD13 LEU 37 -1.336 -9.334 2.839 304 HD21 LEU 37 HD21 LEU 37 -0.479 -12.582 4.343 305 HD22 LEU 37 HD22 LEU 37 -0.872 -12.135 6.001 306 HD23 LEU 37 HD23 LEU 37 0.579 -11.490 5.235 307 H SER 38 HN SER 38 -0.329 -8.506 7.931 308 HA SER 38 HA SER 38 -1.932 -6.395 9.183 309 HB2 SER 38 HB2 SER 38 -0.446 -7.936 10.569 310 HB3 SER 38 HB1 SER 38 0.931 -7.109 9.839 311 HG SER 38 HG SER 38 -0.048 -5.134 10.655 312 HA PRO 39 HA PRO 39 -0.319 -3.387 6.354 313 HB2 PRO 39 HB2 PRO 39 -0.793 -1.145 7.824 314 HB3 PRO 39 HB1 PRO 39 -2.066 -2.043 6.986 315 HG2 PRO 39 HG2 PRO 39 -1.279 -2.159 9.866 316 HG3 PRO 39 HG1 PRO 39 -2.902 -2.102 9.148 317 HD2 PRO 39 HD2 PRO 39 -1.822 -4.400 10.025 318 HD3 PRO 39 HD1 PRO 39 -2.888 -4.344 8.605 319 H GLU 40 HN GLU 40 0.968 -3.818 9.532 320 HA GLU 40 HA GLU 40 3.045 -1.858 9.354 321 HB2 GLU 40 HB2 GLU 40 2.513 -4.177 11.193 322 HB3 GLU 40 HB1 GLU 40 3.976 -3.210 11.326 323 HG2 GLU 40 HG2 GLU 40 2.638 -1.214 11.706 324 HG3 GLU 40 HG1 GLU 40 1.161 -2.163 11.539 325 H ASP 41 HN ASP 41 2.647 -5.080 8.213 326 HA ASP 41 HA ASP 41 5.513 -5.506 7.855 327 HB2 ASP 41 HB2 ASP 41 3.114 -7.266 7.337 328 HB3 ASP 41 HB1 ASP 41 4.758 -7.733 6.918 329 H ILE 42 HN ILE 42 2.679 -4.646 6.031 330 HA ILE 42 HA ILE 42 4.024 -5.037 3.482 331 HB ILE 42 HB ILE 42 1.409 -3.634 3.601 332 HG12 ILE 42 HG12 ILE 42 1.574 -6.630 3.956 333 HG13 ILE 42 HG11 ILE 42 1.309 -5.527 5.298 334 HG21 ILE 42 HG21 ILE 42 0.994 -4.971 1.605 335 HG22 ILE 42 HG22 ILE 42 2.520 -5.822 1.851 336 HG23 ILE 42 HG23 ILE 42 2.519 -4.095 1.483 337 HD11 ILE 42 HD11 ILE 42 -0.729 -4.705 4.140 338 HD12 ILE 42 HD12 ILE 42 -0.796 -6.404 4.607 339 HD13 ILE 42 HD13 ILE 42 -0.488 -5.962 2.927 340 H LYS 43 HN LYS 43 5.203 -3.529 2.547 341 HA LYS 43 HA LYS 43 4.773 -0.730 3.346 342 HB2 LYS 43 HB2 LYS 43 7.090 -2.161 3.556 343 HB3 LYS 43 HB1 LYS 43 7.300 -1.384 1.991 344 HG2 LYS 43 HG2 LYS 43 6.992 0.790 2.976 345 HG3 LYS 43 HG1 LYS 43 6.625 0.065 4.541 346 HD2 LYS 43 HD2 LYS 43 8.914 -0.947 4.514 347 HD3 LYS 43 HD1 LYS 43 9.250 0.002 3.063 348 HE2 LYS 43 HE2 LYS 43 8.780 2.060 4.312 349 HE3 LYS 43 HE1 LYS 43 8.467 1.102 5.759 350 HZ1 LYS 43 HZ1 LYS 43 10.703 2.025 5.753 351 HZ2 LYS 43 HZ2 LYS 43 11.054 1.225 4.305 352 HZ3 LYS 43 HZ3 LYS 43 10.750 0.334 5.710 353 H LEU 44 HN LEU 44 4.615 0.841 1.798 354 HA LEU 44 HA LEU 44 4.009 -0.125 -0.893 355 HB2 LEU 44 HB2 LEU 44 3.445 2.480 0.518 356 HB3 LEU 44 HB1 LEU 44 3.112 2.225 -1.185 357 HG LEU 44 HG LEU 44 1.766 0.136 -0.205 358 HD11 LEU 44 HD11 LEU 44 2.356 0.583 2.115 359 HD12 LEU 44 HD12 LEU 44 0.620 0.763 1.860 360 HD13 LEU 44 HD13 LEU 44 1.645 2.193 1.996 361 HD21 LEU 44 HD21 LEU 44 -0.248 1.535 -0.299 362 HD22 LEU 44 HD22 LEU 44 0.844 1.856 -1.646 363 HD23 LEU 44 HD23 LEU 44 0.766 2.978 -0.290 364 H THR 45 HN THR 45 5.247 0.328 -2.626 365 HA THR 45 HA THR 45 7.440 2.259 -2.253 366 HB THR 45 HB THR 45 7.821 -0.035 -4.113 367 HG1 THR 45 HG1 THR 45 8.857 -0.879 -1.911 368 HG21 THR 45 HG21 THR 45 10.152 0.220 -3.389 369 HG22 THR 45 HG22 THR 45 9.658 1.473 -2.251 370 HG23 THR 45 HG23 THR 45 9.492 1.743 -3.986 371 H HIS 46 HN HIS 46 7.457 3.864 -3.650 372 HA HIS 46 HA HIS 46 6.283 3.472 -6.313 373 HB2 HIS 46 HB2 HIS 46 4.933 4.834 -4.439 374 HB3 HIS 46 HB1 HIS 46 5.960 6.134 -5.033 375 HD1 HIS 46 HD1 HIS 46 3.973 3.413 -6.828 376 HD2 HIS 46 HD2 HIS 46 4.534 7.531 -6.838 377 HE1 HIS 46 HE1 HIS 46 2.552 4.282 -8.715 378 HE2 HIS 46 HE2 HIS 46 2.907 6.777 -8.702 379 H ASN 47 HN ASN 47 7.769 3.824 -7.795 380 HA ASN 47 HA ASN 47 9.511 4.673 -8.970 381 HB2 ASN 47 HB2 ASN 47 9.034 7.036 -7.155 382 HB3 ASN 47 HB1 ASN 47 10.216 7.052 -8.461 383 HD21 ASN 47 HD21 ASN 47 6.936 7.325 -7.593 384 HD22 ASN 47 HD22 ASN 47 6.298 7.579 -9.176 385 H GLY 48 HN GLY 48 9.918 3.137 -6.446 386 HA2 GLY 48 HA2 GLY 48 11.948 2.203 -5.694 387 HA3 GLY 48 HA1 GLY 48 12.787 3.644 -6.246 388 H LYS 49 HN LYS 49 10.397 5.067 -4.735 389 HA LYS 49 HA LYS 49 11.857 5.166 -2.193 390 HB2 LYS 49 HB2 LYS 49 9.923 7.060 -3.514 391 HB3 LYS 49 HB1 LYS 49 10.406 7.242 -1.835 392 HG2 LYS 49 HG2 LYS 49 12.735 7.463 -2.521 393 HG3 LYS 49 HG1 LYS 49 12.258 7.267 -4.210 394 HD2 LYS 49 HD2 LYS 49 10.884 9.292 -4.045 395 HD3 LYS 49 HD1 LYS 49 11.376 9.485 -2.362 396 HE2 LYS 49 HE2 LYS 49 13.707 9.710 -3.071 397 HE3 LYS 49 HE1 LYS 49 13.215 9.508 -4.752 398 HZ1 LYS 49 HZ1 LYS 49 11.906 11.531 -4.575 399 HZ2 LYS 49 HZ2 LYS 49 13.526 11.836 -4.195 400 HZ3 LYS 49 HZ3 LYS 49 12.376 11.724 -2.959 401 H THR 50 HN THR 50 10.879 4.839 -0.230 402 HA THR 50 HA THR 50 8.387 3.325 -0.325 403 HB THR 50 HB THR 50 8.995 2.940 2.164 404 HG1 THR 50 HG1 THR 50 10.773 4.682 1.748 405 HG21 THR 50 HG21 THR 50 10.720 1.848 -0.063 406 HG22 THR 50 HG22 THR 50 9.168 1.200 0.472 407 HG23 THR 50 HG23 THR 50 10.567 1.139 1.545 408 H LEU 51 HN LEU 51 6.650 3.736 1.073 409 HA LEU 51 HA LEU 51 6.404 6.567 1.828 410 HB2 LEU 51 HB2 LEU 51 4.358 4.480 1.108 411 HB3 LEU 51 HB1 LEU 51 3.921 6.024 1.815 412 HG LEU 51 HG LEU 51 5.374 6.928 -0.237 413 HD11 LEU 51 HD11 LEU 51 4.934 5.589 -2.231 414 HD12 LEU 51 HD12 LEU 51 4.225 4.323 -1.228 415 HD13 LEU 51 HD13 LEU 51 5.938 4.711 -1.075 416 HD21 LEU 51 HD21 LEU 51 2.491 6.072 -0.241 417 HD22 LEU 51 HD22 LEU 51 3.213 7.074 -1.500 418 HD23 LEU 51 HD23 LEU 51 3.151 7.656 0.163 419 H ASP 52 HN ASP 52 5.943 7.174 3.873 420 HA ASP 52 HA ASP 52 6.049 5.118 5.930 421 HB2 ASP 52 HB2 ASP 52 7.280 7.494 5.817 422 HB3 ASP 52 HB1 ASP 52 5.812 7.991 6.655 423 HA PRO 53 HA PRO 53 1.656 5.053 6.623 424 HB2 PRO 53 HB2 PRO 53 2.272 4.415 9.429 425 HB3 PRO 53 HB1 PRO 53 1.414 3.454 8.221 426 HG2 PRO 53 HG2 PRO 53 3.875 2.797 9.051 427 HG3 PRO 53 HG1 PRO 53 3.328 2.509 7.389 428 HD2 PRO 53 HD2 PRO 53 5.123 4.639 8.442 429 HD3 PRO 53 HD1 PRO 53 5.196 3.747 6.910 430 H SER 54 HN SER 54 3.791 6.972 8.603 431 HA SER 54 HA SER 54 1.700 8.281 10.078 432 HB2 SER 54 HB2 SER 54 3.512 9.697 10.945 433 HB3 SER 54 HB1 SER 54 3.937 7.989 11.037 434 HG SER 54 HG SER 54 5.355 8.228 9.406 435 H LEU 55 HN LEU 55 3.342 8.850 7.063 436 HA LEU 55 HA LEU 55 2.624 11.609 6.909 437 HB2 LEU 55 HB2 LEU 55 3.907 9.624 5.079 438 HB3 LEU 55 HB1 LEU 55 3.490 11.218 4.550 439 HG LEU 55 HG LEU 55 5.208 10.837 6.966 440 HD11 LEU 55 HD11 LEU 55 6.202 11.013 4.128 441 HD12 LEU 55 HD12 LEU 55 6.226 9.558 5.124 442 HD13 LEU 55 HD13 LEU 55 7.188 10.960 5.588 443 HD21 LEU 55 HD21 LEU 55 4.885 13.054 4.952 444 HD22 LEU 55 HD22 LEU 55 6.067 13.051 6.260 445 HD23 LEU 55 HD23 LEU 55 4.343 13.054 6.629 446 H THR 56 HN THR 56 1.780 12.061 4.455 447 HA THR 56 HA THR 56 -0.798 10.647 4.269 448 HB THR 56 HB THR 56 -1.796 12.730 3.410 449 HG1 THR 56 HG1 THR 56 0.729 13.880 4.078 450 HG21 THR 56 HG21 THR 56 -0.448 12.905 6.100 451 HG22 THR 56 HG22 THR 56 -2.082 12.341 5.748 452 HG23 THR 56 HG23 THR 56 -1.675 14.046 5.549 453 H LEU 57 HN LEU 57 -1.775 10.582 2.136 454 HA LEU 57 HA LEU 57 0.108 9.797 0.143 455 HB2 LEU 57 HB2 LEU 57 -2.889 10.081 0.096 456 HB3 LEU 57 HB1 LEU 57 -1.954 9.443 -1.244 457 HG LEU 57 HG LEU 57 -1.664 8.180 1.447 458 HD11 LEU 57 HD11 LEU 57 -3.942 7.665 -0.454 459 HD12 LEU 57 HD12 LEU 57 -4.064 8.337 1.172 460 HD13 LEU 57 HD13 LEU 57 -3.528 6.672 0.944 461 HD21 LEU 57 HD21 LEU 57 -0.196 7.476 -0.358 462 HD22 LEU 57 HD22 LEU 57 -1.593 7.117 -1.373 463 HD23 LEU 57 HD23 LEU 57 -1.300 6.178 0.091 464 H ALA 58 HN ALA 58 -1.797 12.667 0.723 465 HA ALA 58 HA ALA 58 -1.450 13.757 -1.903 466 HB1 ALA 58 HB1 ALA 58 -2.498 15.754 -1.007 467 HB2 ALA 58 HB2 ALA 58 -2.322 15.125 0.632 468 HB3 ALA 58 HB3 ALA 58 -3.388 14.312 -0.513 469 H GLU 59 HN GLU 59 0.598 13.533 0.792 470 HA GLU 59 HA GLU 59 2.036 15.999 0.299 471 HB2 GLU 59 HB2 GLU 59 1.750 14.473 2.520 472 HB3 GLU 59 HB1 GLU 59 3.298 13.879 1.934 473 HG2 GLU 59 HG2 GLU 59 2.922 16.815 2.072 474 HG3 GLU 59 HG1 GLU 59 3.092 15.938 3.591 475 H TYR 60 HN TYR 60 2.193 12.667 -0.613 476 HA TYR 60 HA TYR 60 4.890 12.798 -1.602 477 HB2 TYR 60 HB2 TYR 60 2.755 10.735 -1.403 478 HB3 TYR 60 HB1 TYR 60 4.032 10.493 -2.583 479 HD1 TYR 60 HD1 TYR 60 6.377 10.233 -1.832 480 HD2 TYR 60 HD2 TYR 60 3.165 10.511 0.942 481 HE1 TYR 60 HE1 TYR 60 7.833 9.334 -0.063 482 HE2 TYR 60 HE2 TYR 60 4.606 9.617 2.718 483 HH TYR 60 HH TYR 60 7.928 9.430 2.477 484 H GLY 61 HN GLY 61 1.745 13.473 -2.826 485 HA2 GLY 61 HA2 GLY 61 1.242 14.509 -4.855 486 HA3 GLY 61 HA1 GLY 61 2.883 14.186 -5.396 487 H ILE 62 HN ILE 62 0.342 11.971 -4.242 488 HA ILE 62 HA ILE 62 0.727 10.411 -6.700 489 HB ILE 62 HB ILE 62 -0.821 9.480 -4.299 490 HG12 ILE 62 HG12 ILE 62 1.998 8.619 -4.601 491 HG13 ILE 62 HG11 ILE 62 1.748 10.265 -4.031 492 HG21 ILE 62 HG21 ILE 62 0.688 8.002 -6.451 493 HG22 ILE 62 HG22 ILE 62 -1.063 8.200 -6.368 494 HG23 ILE 62 HG23 ILE 62 -0.221 7.264 -5.133 495 HD11 ILE 62 HD11 ILE 62 0.366 9.412 -2.206 496 HD12 ILE 62 HD12 ILE 62 1.990 8.730 -2.176 497 HD13 ILE 62 HD13 ILE 62 0.641 7.766 -2.775 498 H THR 63 HN THR 63 -0.910 9.909 -8.076 499 HA THR 63 HA THR 63 -3.545 11.094 -7.517 500 HB THR 63 HB THR 63 -3.722 11.404 -10.044 501 HG1 THR 63 HG1 THR 63 -1.773 10.088 -10.437 502 HG21 THR 63 HG21 THR 63 -1.675 13.033 -8.533 503 HG22 THR 63 HG22 THR 63 -3.421 13.278 -8.505 504 HG23 THR 63 HG23 THR 63 -2.517 13.541 -9.996 505 HA PRO 64 HA PRO 64 -5.272 7.129 -8.426 506 HB2 PRO 64 HB2 PRO 64 -7.602 8.331 -9.696 507 HB3 PRO 64 HB1 PRO 64 -7.486 7.517 -8.134 508 HG2 PRO 64 HG2 PRO 64 -7.924 10.178 -8.368 509 HG3 PRO 64 HG1 PRO 64 -7.077 9.451 -6.990 510 HD2 PRO 64 HD2 PRO 64 -5.952 10.877 -9.356 511 HD3 PRO 64 HD1 PRO 64 -5.450 10.935 -7.654 512 H GLY 65 HN GLY 65 -5.566 5.632 -10.075 513 HA2 GLY 65 HA2 GLY 65 -5.941 4.997 -12.342 514 HA3 GLY 65 HA1 GLY 65 -5.496 6.622 -12.840 515 H SER 66 HN SER 66 -3.363 5.555 -10.513 516 HA SER 66 HA SER 66 -1.397 4.827 -12.574 517 HB2 SER 66 HB2 SER 66 -0.961 6.854 -11.115 518 HB3 SER 66 HB1 SER 66 -0.820 5.749 -9.749 519 HG SER 66 HG SER 66 0.811 5.884 -12.062 520 H THR 67 HN THR 67 0.246 3.224 -11.940 521 HA THR 67 HA THR 67 -1.014 0.993 -10.544 522 HB THR 67 HB THR 67 1.104 -0.223 -11.418 523 HG1 THR 67 HG1 THR 67 1.969 0.852 -13.298 524 HG21 THR 67 HG21 THR 67 0.057 -0.592 -13.587 525 HG22 THR 67 HG22 THR 67 -0.918 0.866 -13.379 526 HG23 THR 67 HG23 THR 67 -1.170 -0.522 -12.320 527 H ILE 68 HN ILE 68 -0.544 0.560 -8.488 528 HA ILE 68 HA ILE 68 1.969 1.637 -7.385 529 HB ILE 68 HB ILE 68 -0.545 0.937 -5.864 530 HG12 ILE 68 HG12 ILE 68 -0.109 3.642 -5.583 531 HG13 ILE 68 HG11 ILE 68 0.323 3.359 -7.267 532 HG21 ILE 68 HG21 ILE 68 0.535 2.066 -3.985 533 HG22 ILE 68 HG22 ILE 68 1.976 2.328 -4.967 534 HG23 ILE 68 HG23 ILE 68 1.491 0.689 -4.532 535 HD11 ILE 68 HD11 ILE 68 -1.846 2.464 -7.730 536 HD12 ILE 68 HD12 ILE 68 -2.034 4.022 -6.924 537 HD13 ILE 68 HD13 ILE 68 -2.286 2.526 -6.023 538 H THR 69 HN THR 69 3.467 0.275 -6.723 539 HA THR 69 HA THR 69 2.817 -2.569 -6.523 540 HB THR 69 HB THR 69 5.454 -2.629 -6.545 541 HG1 THR 69 HG1 THR 69 6.107 -0.843 -8.035 542 HG21 THR 69 HG21 THR 69 4.198 -3.696 -8.264 543 HG22 THR 69 HG22 THR 69 5.357 -2.641 -9.073 544 HG23 THR 69 HG23 THR 69 3.670 -2.148 -8.923 545 H LEU 70 HN LEU 70 3.393 -3.756 -4.707 546 HA LEU 70 HA LEU 70 4.294 -2.173 -2.393 547 HB2 LEU 70 HB2 LEU 70 2.978 -3.619 -0.958 548 HB3 LEU 70 HB1 LEU 70 1.964 -2.857 -2.169 549 HG LEU 70 HG LEU 70 2.635 -5.240 -3.367 550 HD11 LEU 70 HD11 LEU 70 2.117 -6.961 -1.674 551 HD12 LEU 70 HD12 LEU 70 2.215 -5.723 -0.423 552 HD13 LEU 70 HD13 LEU 70 3.644 -6.132 -1.372 553 HD21 LEU 70 HD21 LEU 70 0.319 -5.877 -2.863 554 HD22 LEU 70 HD22 LEU 70 0.448 -4.195 -3.378 555 HD23 LEU 70 HD23 LEU 70 0.231 -4.582 -1.671 556 H GLU 71 HN GLU 71 5.392 -3.412 -0.708 557 HA GLU 71 HA GLU 71 6.809 -5.786 -1.679 558 HB2 GLU 71 HB2 GLU 71 8.066 -3.456 -1.864 559 HB3 GLU 71 HB1 GLU 71 8.360 -3.740 -0.154 560 HG2 GLU 71 HG2 GLU 71 9.408 -5.877 -0.686 561 HG3 GLU 71 HG1 GLU 71 9.109 -5.596 -2.401 562 H ILE 72 HN ILE 72 7.000 -7.350 -0.168 563 HA ILE 72 HA ILE 72 6.146 -6.683 2.565 564 HB ILE 72 HB ILE 72 4.785 -8.368 1.305 565 HG12 ILE 72 HG12 ILE 72 5.071 -10.176 3.227 566 HG13 ILE 72 HG11 ILE 72 6.081 -8.919 3.933 567 HG21 ILE 72 HG21 ILE 72 6.546 -9.482 0.073 568 HG22 ILE 72 HG22 ILE 72 5.658 -10.644 1.059 569 HG23 ILE 72 HG23 ILE 72 7.246 -10.080 1.576 570 HD11 ILE 72 HD11 ILE 72 4.218 -7.365 3.863 571 HD12 ILE 72 HD12 ILE 72 3.790 -8.824 4.758 572 HD13 ILE 72 HD13 ILE 72 3.203 -8.597 3.110 573 H LYS 73 HN LYS 73 7.282 -7.504 4.349 574 HA LYS 73 HA LYS 73 10.077 -8.168 3.747 575 HB2 LYS 73 HB2 LYS 73 8.770 -6.884 6.135 576 HB3 LYS 73 HB1 LYS 73 10.411 -7.511 6.197 577 HG2 LYS 73 HG2 LYS 73 11.062 -5.997 4.396 578 HG3 LYS 73 HG1 LYS 73 9.413 -5.367 4.333 579 HD2 LYS 73 HD2 LYS 73 9.617 -4.594 6.642 580 HD3 LYS 73 HD1 LYS 73 11.261 -5.233 6.715 581 HE2 LYS 73 HE2 LYS 73 11.915 -3.710 4.902 582 HE3 LYS 73 HE1 LYS 73 10.276 -3.058 4.873 583 HZ1 LYS 73 HZ1 LYS 73 11.798 -1.669 6.153 584 HZ2 LYS 73 HZ2 LYS 73 12.113 -2.957 7.204 585 HZ3 LYS 73 HZ3 LYS 73 10.561 -2.286 7.130 586 H LYS 74 HN LYS 74 10.519 -10.243 3.860 587 HA LYS 74 HA LYS 74 9.073 -11.912 5.803 588 HB2 LYS 74 HB2 LYS 74 10.466 -12.572 3.217 589 HB3 LYS 74 HB1 LYS 74 10.021 -13.815 4.378 590 HG2 LYS 74 HG2 LYS 74 7.678 -13.178 4.182 591 HG3 LYS 74 HG1 LYS 74 8.115 -11.909 3.034 592 HD2 LYS 74 HD2 LYS 74 9.002 -13.608 1.505 593 HD3 LYS 74 HD1 LYS 74 8.556 -14.871 2.653 594 HE2 LYS 74 HE2 LYS 74 6.202 -14.225 2.440 595 HE3 LYS 74 HE1 LYS 74 6.654 -12.971 1.285 596 HZ1 LYS 74 HZ1 LYS 74 7.055 -15.891 0.912 597 HZ2 LYS 74 HZ2 LYS 74 7.486 -14.690 -0.197 598 HZ3 LYS 74 HZ3 LYS 74 5.856 -14.958 0.169 599 H LYS 75 HN LYS 75 10.135 -12.984 7.381 600 HA LYS 75 HA LYS 75 13.077 -12.911 7.359 601 HB2 LYS 75 HB2 LYS 75 11.209 -12.114 9.581 602 HB3 LYS 75 HB1 LYS 75 12.859 -12.623 9.911 603 HG2 LYS 75 HG2 LYS 75 13.698 -10.816 8.489 604 HG3 LYS 75 HG1 LYS 75 12.039 -10.302 8.174 605 HD2 LYS 75 HD2 LYS 75 11.725 -9.900 10.580 606 HD3 LYS 75 HD1 LYS 75 13.399 -10.376 10.868 607 HE2 LYS 75 HE2 LYS 75 14.163 -8.528 9.452 608 HE3 LYS 75 HE1 LYS 75 12.487 -8.052 9.173 609 HZ1 LYS 75 HZ1 LYS 75 13.514 -6.709 10.895 610 HZ2 LYS 75 HZ2 LYS 75 13.855 -8.088 11.808 611 HZ3 LYS 75 HZ3 LYS 75 12.250 -7.630 11.540 612 H GLY 76 HN GLY 76 14.117 -14.688 8.237 613 HA2 GLY 76 HA2 GLY 76 14.181 -16.699 9.526 614 HA3 GLY 76 HA1 GLY 76 12.437 -16.818 9.360 615 H GLY 77 HN GLY 77 11.543 -17.599 7.424 616 HA2 GLY 77 HA2 GLY 77 12.580 -18.245 5.044 617 HA3 GLY 77 HA1 GLY 77 13.285 -19.492 6.065 618 H LEU 78 HN LEU 78 10.253 -18.110 4.927 619 HA LEU 78 HA LEU 78 8.853 -20.570 5.709 620 HB2 LEU 78 HB2 LEU 78 7.827 -17.835 4.960 621 HB3 LEU 78 HB1 LEU 78 6.783 -19.226 5.182 622 HG LEU 78 HG LEU 78 8.270 -19.160 7.520 623 HD11 LEU 78 HD11 LEU 78 8.046 -16.867 8.334 624 HD12 LEU 78 HD12 LEU 78 7.492 -16.353 6.742 625 HD13 LEU 78 HD13 LEU 78 9.135 -16.954 6.952 626 HD21 LEU 78 HD21 LEU 78 5.901 -19.685 7.319 627 HD22 LEU 78 HD22 LEU 78 5.545 -17.998 6.949 628 HD23 LEU 78 HD23 LEU 78 6.163 -18.440 8.541 629 H GLU 79 HN GLU 79 8.101 -21.963 4.235 630 HA GLU 79 HA GLU 79 8.299 -21.196 1.398 631 HB2 GLU 79 HB2 GLU 79 8.869 -23.816 2.770 632 HB3 GLU 79 HB1 GLU 79 8.582 -23.717 1.038 633 HG2 GLU 79 HG2 GLU 79 10.478 -22.203 0.802 634 HG3 GLU 79 HG1 GLU 79 10.762 -22.284 2.541 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -11.291 10.593 -11.535 2 H2 MET 1 HT2 MET 1 -10.297 10.253 -12.859 3 H3 MET 1 HT3 MET 1 -9.613 10.772 -11.400 4 HA MET 1 HA MET 1 -11.066 8.228 -11.819 5 HB2 MET 1 HB2 MET 1 -8.132 8.886 -11.588 6 HB3 MET 1 HB1 MET 1 -8.759 7.268 -11.301 7 HG2 MET 1 HG2 MET 1 -9.631 7.184 -13.568 8 HG3 MET 1 HG1 MET 1 -9.056 8.824 -13.860 9 HE1 MET 1 HE1 MET 1 -8.363 6.322 -15.739 10 HE2 MET 1 HE2 MET 1 -6.644 6.579 -16.038 11 HE3 MET 1 HE3 MET 1 -7.757 7.946 -16.066 12 H ASP 2 HN ASP 2 -11.089 6.839 -10.008 13 HA ASP 2 HA ASP 2 -10.438 8.061 -7.422 14 HB2 ASP 2 HB2 ASP 2 -13.105 6.918 -8.252 15 HB3 ASP 2 HB1 ASP 2 -12.641 7.102 -6.563 16 H THR 3 HN THR 3 -10.177 5.473 -9.467 17 HA THR 3 HA THR 3 -9.832 3.553 -7.261 18 HB THR 3 HB THR 3 -9.894 1.823 -9.157 19 HG1 THR 3 HG1 THR 3 -11.503 3.314 -10.721 20 HG21 THR 3 HG21 THR 3 -12.346 1.774 -9.169 21 HG22 THR 3 HG22 THR 3 -12.383 3.427 -8.554 22 HG23 THR 3 HG23 THR 3 -11.725 2.131 -7.556 23 H ILE 4 HN ILE 4 -7.995 2.225 -7.228 24 HA ILE 4 HA ILE 4 -5.773 3.059 -8.972 25 HB ILE 4 HB ILE 4 -4.263 2.657 -6.957 26 HG12 ILE 4 HG12 ILE 4 -6.563 3.403 -5.219 27 HG13 ILE 4 HG11 ILE 4 -6.439 1.715 -5.709 28 HG21 ILE 4 HG21 ILE 4 -4.641 4.865 -7.863 29 HG22 ILE 4 HG22 ILE 4 -4.602 4.941 -6.101 30 HG23 ILE 4 HG23 ILE 4 -6.145 5.011 -6.952 31 HD11 ILE 4 HD11 ILE 4 -4.212 1.590 -4.750 32 HD12 ILE 4 HD12 ILE 4 -5.388 2.118 -3.549 33 HD13 ILE 4 HD13 ILE 4 -4.301 3.291 -4.293 34 H ASN 5 HN ASN 5 -4.025 1.460 -9.104 35 HA ASN 5 HA ASN 5 -5.079 -1.268 -8.794 36 HB2 ASN 5 HB2 ASN 5 -4.650 -1.474 -10.989 37 HB3 ASN 5 HB1 ASN 5 -3.863 0.093 -11.035 38 HD21 ASN 5 HD21 ASN 5 -1.755 0.186 -11.273 39 HD22 ASN 5 HD22 ASN 5 -0.704 -1.181 -11.300 40 H ILE 6 HN ILE 6 -4.037 -2.633 -7.529 41 HA ILE 6 HA ILE 6 -1.348 -1.889 -6.580 42 HB ILE 6 HB ILE 6 -3.191 -3.614 -4.953 43 HG12 ILE 6 HG12 ILE 6 -3.382 -1.143 -3.763 44 HG13 ILE 6 HG11 ILE 6 -3.472 -0.732 -5.472 45 HG21 ILE 6 HG21 ILE 6 -1.759 -3.185 -3.206 46 HG22 ILE 6 HG22 ILE 6 -1.228 -1.645 -3.879 47 HG23 ILE 6 HG23 ILE 6 -0.642 -3.158 -4.571 48 HD11 ILE 6 HD11 ILE 6 -5.678 -1.043 -4.510 49 HD12 ILE 6 HD12 ILE 6 -5.253 -2.687 -4.037 50 HD13 ILE 6 HD13 ILE 6 -5.350 -2.258 -5.746 51 H THR 7 HN THR 7 0.110 -3.180 -7.457 52 HA THR 7 HA THR 7 -0.631 -5.819 -8.407 53 HB THR 7 HB THR 7 2.185 -4.897 -8.572 54 HG1 THR 7 HG1 THR 7 1.757 -3.252 -9.884 55 HG21 THR 7 HG21 THR 7 0.272 -6.174 -10.527 56 HG22 THR 7 HG22 THR 7 1.501 -7.010 -9.577 57 HG23 THR 7 HG23 THR 7 1.982 -5.862 -10.830 58 H LEU 8 HN LEU 8 -0.080 -7.709 -7.537 59 HA LEU 8 HA LEU 8 1.350 -7.698 -4.991 60 HB2 LEU 8 HB2 LEU 8 -0.924 -9.004 -6.023 61 HB3 LEU 8 HB1 LEU 8 0.294 -10.228 -5.842 62 HG LEU 8 HG LEU 8 0.467 -8.957 -3.434 63 HD11 LEU 8 HD11 LEU 8 -1.620 -8.340 -2.627 64 HD12 LEU 8 HD12 LEU 8 -2.478 -9.145 -3.940 65 HD13 LEU 8 HD13 LEU 8 -1.597 -7.648 -4.249 66 HD21 LEU 8 HD21 LEU 8 -1.325 -11.264 -4.181 67 HD22 LEU 8 HD22 LEU 8 -0.771 -10.879 -2.553 68 HD23 LEU 8 HD23 LEU 8 0.390 -11.361 -3.789 69 HA PRO 9 HA PRO 9 4.861 -9.816 -6.753 70 HB2 PRO 9 HB2 PRO 9 4.991 -11.741 -4.556 71 HB3 PRO 9 HB1 PRO 9 6.097 -10.416 -4.944 72 HG2 PRO 9 HG2 PRO 9 4.494 -10.362 -2.775 73 HG3 PRO 9 HG1 PRO 9 4.978 -8.900 -3.656 74 HD2 PRO 9 HD2 PRO 9 2.394 -10.395 -3.760 75 HD3 PRO 9 HD1 PRO 9 2.690 -8.642 -3.771 76 H ASP 10 HN ASP 10 1.904 -11.297 -6.389 77 HA ASP 10 HA ASP 10 2.735 -13.936 -7.317 78 HB2 ASP 10 HB2 ASP 10 0.811 -13.326 -5.612 79 HB3 ASP 10 HB1 ASP 10 -0.130 -13.107 -7.080 80 H GLY 11 HN GLY 11 1.750 -10.937 -8.598 81 HA2 GLY 11 HA2 GLY 11 1.963 -10.492 -10.935 82 HA3 GLY 11 HA1 GLY 11 1.532 -12.163 -11.261 83 H LYS 12 HN LYS 12 -0.521 -10.947 -8.908 84 HA LYS 12 HA LYS 12 -2.566 -10.424 -10.954 85 HB2 LYS 12 HB2 LYS 12 -4.218 -10.945 -9.157 86 HB3 LYS 12 HB1 LYS 12 -3.174 -12.292 -9.583 87 HG2 LYS 12 HG2 LYS 12 -1.798 -11.827 -7.595 88 HG3 LYS 12 HG1 LYS 12 -2.906 -10.523 -7.162 89 HD2 LYS 12 HD2 LYS 12 -4.747 -12.148 -7.042 90 HD3 LYS 12 HD1 LYS 12 -3.617 -13.445 -7.435 91 HE2 LYS 12 HE2 LYS 12 -2.353 -12.958 -5.398 92 HE3 LYS 12 HE1 LYS 12 -3.484 -11.663 -5.005 93 HZ1 LYS 12 HZ1 LYS 12 -4.160 -14.548 -5.235 94 HZ2 LYS 12 HZ2 LYS 12 -5.256 -13.311 -4.878 95 HZ3 LYS 12 HZ3 LYS 12 -4.013 -13.678 -3.791 96 H THR 13 HN THR 13 -4.002 -8.696 -10.732 97 HA THR 13 HA THR 13 -2.921 -6.474 -9.141 98 HB THR 13 HB THR 13 -4.303 -5.046 -10.720 99 HG1 THR 13 HG1 THR 13 -5.610 -6.869 -11.465 100 HG21 THR 13 HG21 THR 13 -2.114 -6.766 -11.897 101 HG22 THR 13 HG22 THR 13 -1.882 -5.294 -10.956 102 HG23 THR 13 HG23 THR 13 -2.656 -5.216 -12.539 103 H LEU 14 HN LEU 14 -4.343 -5.030 -8.079 104 HA LEU 14 HA LEU 14 -7.029 -6.087 -7.499 105 HB2 LEU 14 HB2 LEU 14 -5.092 -6.372 -5.709 106 HB3 LEU 14 HB1 LEU 14 -5.478 -4.699 -5.361 107 HG LEU 14 HG LEU 14 -7.781 -6.552 -5.443 108 HD11 LEU 14 HD11 LEU 14 -5.721 -6.665 -3.246 109 HD12 LEU 14 HD12 LEU 14 -6.162 -7.974 -4.341 110 HD13 LEU 14 HD13 LEU 14 -7.334 -7.371 -3.167 111 HD21 LEU 14 HD21 LEU 14 -7.978 -4.166 -4.869 112 HD22 LEU 14 HD22 LEU 14 -6.913 -4.425 -3.486 113 HD23 LEU 14 HD23 LEU 14 -8.488 -5.216 -3.546 114 H THR 15 HN THR 15 -8.614 -4.522 -6.994 115 HA THR 15 HA THR 15 -7.859 -1.756 -7.676 116 HB THR 15 HB THR 15 -10.673 -2.710 -7.993 117 HG1 THR 15 HG1 THR 15 -8.678 -3.046 -9.998 118 HG21 THR 15 HG21 THR 15 -10.639 -1.065 -9.827 119 HG22 THR 15 HG22 THR 15 -8.939 -0.737 -9.485 120 HG23 THR 15 HG23 THR 15 -10.173 -0.346 -8.286 121 H LEU 16 HN LEU 16 -8.150 -0.281 -6.133 122 HA LEU 16 HA LEU 16 -10.121 -0.836 -4.017 123 HB2 LEU 16 HB2 LEU 16 -7.678 -1.189 -3.359 124 HB3 LEU 16 HB1 LEU 16 -7.498 0.548 -3.506 125 HG LEU 16 HG LEU 16 -9.523 0.604 -1.829 126 HD11 LEU 16 HD11 LEU 16 -8.296 -2.088 -1.239 127 HD12 LEU 16 HD12 LEU 16 -9.912 -1.819 -1.894 128 HD13 LEU 16 HD13 LEU 16 -9.513 -1.257 -0.270 129 HD21 LEU 16 HD21 LEU 16 -7.936 0.655 0.026 130 HD22 LEU 16 HD22 LEU 16 -7.291 1.490 -1.387 131 HD23 LEU 16 HD23 LEU 16 -6.721 -0.130 -0.984 132 H THR 17 HN THR 17 -11.209 0.935 -3.154 133 HA THR 17 HA THR 17 -11.113 3.345 -4.823 134 HB THR 17 HB THR 17 -13.294 2.891 -2.833 135 HG1 THR 17 HG1 THR 17 -13.550 1.748 -5.389 136 HG21 THR 17 HG21 THR 17 -13.237 4.951 -4.157 137 HG22 THR 17 HG22 THR 17 -14.641 3.967 -4.576 138 HG23 THR 17 HG23 THR 17 -13.237 4.002 -5.643 139 H VAL 18 HN VAL 18 -10.020 5.023 -4.037 140 HA VAL 18 HA VAL 18 -10.273 5.684 -1.190 141 HB VAL 18 HB VAL 18 -7.776 6.365 -1.276 142 HG11 VAL 18 HG11 VAL 18 -8.676 4.602 0.165 143 HG12 VAL 18 HG12 VAL 18 -7.077 4.186 -0.453 144 HG13 VAL 18 HG13 VAL 18 -8.514 3.443 -1.157 145 HG21 VAL 18 HG21 VAL 18 -6.391 4.902 -2.706 146 HG22 VAL 18 HG22 VAL 18 -7.396 6.016 -3.633 147 HG23 VAL 18 HG23 VAL 18 -7.860 4.319 -3.489 148 H THR 19 HN THR 19 -9.115 7.901 -0.812 149 HA THR 19 HA THR 19 -9.456 9.658 -3.141 150 HB THR 19 HB THR 19 -10.550 11.354 -1.555 151 HG1 THR 19 HG1 THR 19 -10.728 10.657 0.426 152 HG21 THR 19 HG21 THR 19 -11.789 10.294 -3.358 153 HG22 THR 19 HG22 THR 19 -12.805 10.435 -1.924 154 HG23 THR 19 HG23 THR 19 -12.091 8.879 -2.347 155 HA PRO 20 HA PRO 20 -5.842 11.787 -1.750 156 HB2 PRO 20 HB2 PRO 20 -7.285 14.374 -1.774 157 HB3 PRO 20 HB1 PRO 20 -5.862 13.869 -2.698 158 HG2 PRO 20 HG2 PRO 20 -8.221 14.120 -3.895 159 HG3 PRO 20 HG1 PRO 20 -7.109 12.803 -4.326 160 HD2 PRO 20 HD2 PRO 20 -9.553 12.720 -2.610 161 HD3 PRO 20 HD1 PRO 20 -8.986 11.556 -3.826 162 H GLU 21 HN GLU 21 -8.774 12.131 0.028 163 HA GLU 21 HA GLU 21 -7.572 13.559 2.241 164 HB2 GLU 21 HB2 GLU 21 -10.081 13.553 1.365 165 HB3 GLU 21 HB1 GLU 21 -10.218 12.214 2.497 166 HG2 GLU 21 HG2 GLU 21 -9.432 13.645 4.302 167 HG3 GLU 21 HG1 GLU 21 -9.258 14.985 3.170 168 H PHE 22 HN PHE 22 -7.570 10.395 1.195 169 HA PHE 22 HA PHE 22 -7.705 9.104 3.753 170 HB2 PHE 22 HB2 PHE 22 -7.425 8.335 0.919 171 HB3 PHE 22 HB1 PHE 22 -6.616 7.293 2.050 172 HD1 PHE 22 HD1 PHE 22 -9.895 8.985 1.647 173 HD2 PHE 22 HD2 PHE 22 -7.798 5.490 2.862 174 HE1 PHE 22 HE1 PHE 22 -12.036 7.867 2.109 175 HE2 PHE 22 HE2 PHE 22 -9.936 4.365 3.328 176 HZ PHE 22 HZ PHE 22 -12.058 5.554 2.951 177 H THR 23 HN THR 23 -5.994 8.371 4.962 178 HA THR 23 HA THR 23 -3.419 9.591 4.385 179 HB THR 23 HB THR 23 -2.802 8.518 6.639 180 HG1 THR 23 HG1 THR 23 -4.429 7.037 6.921 181 HG21 THR 23 HG21 THR 23 -3.215 10.870 6.505 182 HG22 THR 23 HG22 THR 23 -4.084 10.257 7.911 183 HG23 THR 23 HG23 THR 23 -4.959 10.616 6.422 184 H VAL 24 HN VAL 24 -1.413 8.207 4.789 185 HA VAL 24 HA VAL 24 -1.416 6.027 2.988 186 HB VAL 24 HB VAL 24 0.692 6.624 5.071 187 HG11 VAL 24 HG11 VAL 24 0.862 5.209 2.409 188 HG12 VAL 24 HG12 VAL 24 0.930 4.443 3.996 189 HG13 VAL 24 HG13 VAL 24 2.214 5.539 3.492 190 HG21 VAL 24 HG21 VAL 24 0.479 7.690 2.257 191 HG22 VAL 24 HG22 VAL 24 1.780 8.008 3.405 192 HG23 VAL 24 HG23 VAL 24 0.156 8.615 3.724 193 H LYS 25 HN LYS 25 -1.687 6.265 6.465 194 HA LYS 25 HA LYS 25 -1.370 3.496 7.033 195 HB2 LYS 25 HB2 LYS 25 -1.235 5.619 8.579 196 HB3 LYS 25 HB1 LYS 25 -2.956 5.323 8.789 197 HG2 LYS 25 HG2 LYS 25 -2.493 3.093 9.626 198 HG3 LYS 25 HG1 LYS 25 -0.765 3.337 9.358 199 HD2 LYS 25 HD2 LYS 25 -0.757 5.159 10.975 200 HD3 LYS 25 HD1 LYS 25 -2.496 4.965 11.218 201 HE2 LYS 25 HE2 LYS 25 -2.124 2.701 12.059 202 HE3 LYS 25 HE1 LYS 25 -0.388 2.890 11.809 203 HZ1 LYS 25 HZ1 LYS 25 -1.001 3.273 14.112 204 HZ2 LYS 25 HZ2 LYS 25 -2.054 4.516 13.655 205 HZ3 LYS 25 HZ3 LYS 25 -0.387 4.688 13.419 206 H GLU 26 HN GLU 26 -4.075 5.537 6.174 207 HA GLU 26 HA GLU 26 -6.115 3.670 6.878 208 HB2 GLU 26 HB2 GLU 26 -6.146 6.302 6.355 209 HB3 GLU 26 HB1 GLU 26 -6.657 5.693 4.785 210 HG2 GLU 26 HG2 GLU 26 -8.623 4.830 5.610 211 HG3 GLU 26 HG1 GLU 26 -7.997 4.694 7.252 212 H LEU 27 HN LEU 27 -4.577 4.602 3.802 213 HA LEU 27 HA LEU 27 -6.014 2.848 2.163 214 HB2 LEU 27 HB2 LEU 27 -4.473 4.760 1.504 215 HB3 LEU 27 HB1 LEU 27 -3.140 3.654 1.766 216 HG LEU 27 HG LEU 27 -5.271 2.708 -0.060 217 HD11 LEU 27 HD11 LEU 27 -5.120 5.035 -0.733 218 HD12 LEU 27 HD12 LEU 27 -4.380 3.990 -1.946 219 HD13 LEU 27 HD13 LEU 27 -3.365 4.909 -0.836 220 HD21 LEU 27 HD21 LEU 27 -3.323 1.895 -1.316 221 HD22 LEU 27 HD22 LEU 27 -3.302 1.357 0.362 222 HD23 LEU 27 HD23 LEU 27 -2.256 2.680 -0.154 223 H ALA 28 HN ALA 28 -3.146 2.378 4.144 224 HA ALA 28 HA ALA 28 -2.491 -0.209 3.148 225 HB1 ALA 28 HB1 ALA 28 -0.905 -0.313 4.977 226 HB2 ALA 28 HB2 ALA 28 -1.659 1.094 5.729 227 HB3 ALA 28 HB3 ALA 28 -0.834 1.260 4.180 228 H GLU 29 HN GLU 29 -4.530 0.922 5.804 229 HA GLU 29 HA GLU 29 -4.764 -1.653 7.032 230 HB2 GLU 29 HB2 GLU 29 -6.343 -0.664 8.509 231 HB3 GLU 29 HB1 GLU 29 -5.119 0.556 8.203 232 HG2 GLU 29 HG2 GLU 29 -6.831 1.923 7.828 233 HG3 GLU 29 HG1 GLU 29 -6.962 1.109 6.270 234 H GLU 30 HN GLU 30 -6.385 -0.034 4.438 235 HA GLU 30 HA GLU 30 -8.755 -1.628 4.459 236 HB2 GLU 30 HB2 GLU 30 -7.622 0.520 2.851 237 HB3 GLU 30 HB1 GLU 30 -8.452 -0.680 1.871 238 HG2 GLU 30 HG2 GLU 30 -10.450 -0.399 3.293 239 HG3 GLU 30 HG1 GLU 30 -9.609 0.880 4.170 240 H ILE 31 HN ILE 31 -5.747 -1.691 2.568 241 HA ILE 31 HA ILE 31 -6.497 -3.932 0.990 242 HB ILE 31 HB ILE 31 -4.790 -2.287 0.271 243 HG12 ILE 31 HG12 ILE 31 -3.022 -4.156 -0.351 244 HG13 ILE 31 HG11 ILE 31 -4.252 -5.224 0.321 245 HG21 ILE 31 HG21 ILE 31 -2.899 -3.655 2.167 246 HG22 ILE 31 HG22 ILE 31 -3.685 -2.117 2.521 247 HG23 ILE 31 HG23 ILE 31 -2.586 -2.252 1.146 248 HD11 ILE 31 HD11 ILE 31 -4.728 -3.242 -1.889 249 HD12 ILE 31 HD12 ILE 31 -5.865 -4.439 -1.274 250 HD13 ILE 31 HD13 ILE 31 -4.409 -4.959 -2.121 251 H ALA 32 HN ALA 32 -4.853 -3.588 4.075 252 HA ALA 32 HA ALA 32 -3.787 -6.210 4.212 253 HB1 ALA 32 HB1 ALA 32 -4.530 -4.420 6.513 254 HB2 ALA 32 HB2 ALA 32 -3.030 -4.293 5.595 255 HB3 ALA 32 HB3 ALA 32 -3.373 -5.751 6.530 256 H ARG 33 HN ARG 33 -6.889 -4.831 5.108 257 HA ARG 33 HA ARG 33 -7.847 -6.993 6.642 258 HB2 ARG 33 HB2 ARG 33 -8.725 -4.507 6.199 259 HB3 ARG 33 HB1 ARG 33 -9.777 -5.373 5.085 260 HG2 ARG 33 HG2 ARG 33 -10.594 -6.762 6.890 261 HG3 ARG 33 HG1 ARG 33 -9.486 -5.979 8.019 262 HD2 ARG 33 HD2 ARG 33 -10.611 -3.840 7.631 263 HD3 ARG 33 HD1 ARG 33 -11.721 -4.630 6.510 264 HE ARG 33 HE ARG 33 -11.952 -6.039 8.842 265 HH11 ARG 33 HH12 ARG 33 -12.341 -2.700 7.910 266 HH12 ARG 33 HH11 ARG 33 -13.546 -2.376 9.110 267 HH21 ARG 33 HH21 ARG 33 -13.530 -5.620 10.419 268 HH22 ARG 33 HH22 ARG 33 -14.222 -4.037 10.538 269 H ARG 34 HN ARG 34 -7.845 -6.392 3.181 270 HA ARG 34 HA ARG 34 -9.734 -8.456 2.568 271 HB2 ARG 34 HB2 ARG 34 -8.039 -6.582 1.019 272 HB3 ARG 34 HB1 ARG 34 -8.513 -8.067 0.207 273 HG2 ARG 34 HG2 ARG 34 -10.213 -6.638 -0.391 274 HG3 ARG 34 HG1 ARG 34 -10.901 -7.445 1.019 275 HD2 ARG 34 HD2 ARG 34 -10.236 -5.567 2.425 276 HD3 ARG 34 HD1 ARG 34 -9.516 -4.766 1.031 277 HE ARG 34 HE ARG 34 -12.154 -5.238 0.366 278 HH11 ARG 34 HH12 ARG 34 -10.411 -3.489 2.823 279 HH12 ARG 34 HH11 ARG 34 -11.634 -2.278 3.016 280 HH21 ARG 34 HH22 ARG 34 -13.774 -3.632 0.602 281 HH22 ARG 34 HH21 ARG 34 -13.545 -2.360 1.755 282 H LEU 35 HN LEU 35 -6.292 -8.350 3.037 283 HA LEU 35 HA LEU 35 -5.962 -10.964 1.784 284 HB2 LEU 35 HB2 LEU 35 -4.107 -8.824 2.697 285 HB3 LEU 35 HB1 LEU 35 -3.504 -10.470 2.651 286 HG LEU 35 HG LEU 35 -4.487 -10.422 0.198 287 HD11 LEU 35 HD11 LEU 35 -4.204 -8.220 -0.836 288 HD12 LEU 35 HD12 LEU 35 -3.930 -7.512 0.756 289 HD13 LEU 35 HD13 LEU 35 -5.495 -8.221 0.364 290 HD21 LEU 35 HD21 LEU 35 -2.170 -10.835 0.693 291 HD22 LEU 35 HD22 LEU 35 -1.900 -9.127 1.042 292 HD23 LEU 35 HD23 LEU 35 -2.279 -9.642 -0.602 293 H GLY 36 HN GLY 36 -6.448 -9.613 4.892 294 HA2 GLY 36 HA2 GLY 36 -6.977 -10.853 6.808 295 HA3 GLY 36 HA1 GLY 36 -6.260 -12.271 6.065 296 H LEU 37 HN LEU 37 -3.971 -10.019 5.594 297 HA LEU 37 HA LEU 37 -2.578 -10.810 8.049 298 HB2 LEU 37 HB2 LEU 37 -0.562 -9.820 6.777 299 HB3 LEU 37 HB1 LEU 37 -1.197 -11.376 6.291 300 HG LEU 37 HG LEU 37 -2.591 -9.795 4.609 301 HD11 LEU 37 HD11 LEU 37 -1.520 -7.750 5.436 302 HD12 LEU 37 HD12 LEU 37 -1.139 -8.053 3.742 303 HD13 LEU 37 HD13 LEU 37 0.057 -8.404 4.990 304 HD21 LEU 37 HD21 LEU 37 0.210 -10.842 4.224 305 HD22 LEU 37 HD22 LEU 37 -0.870 -10.341 2.923 306 HD23 LEU 37 HD23 LEU 37 -1.294 -11.719 3.940 307 H SER 38 HN SER 38 -0.840 -9.047 8.694 308 HA SER 38 HA SER 38 -2.404 -6.699 9.386 309 HB2 SER 38 HB2 SER 38 0.335 -7.586 10.312 310 HB3 SER 38 HB1 SER 38 -0.552 -6.202 10.951 311 HG SER 38 HG SER 38 -1.000 -8.933 11.314 312 HA PRO 39 HA PRO 39 -0.537 -3.919 6.487 313 HB2 PRO 39 HB2 PRO 39 -0.604 -1.781 8.484 314 HB3 PRO 39 HB1 PRO 39 -1.551 -1.957 7.002 315 HG2 PRO 39 HG2 PRO 39 -2.659 -2.200 9.446 316 HG3 PRO 39 HG1 PRO 39 -3.239 -3.105 8.034 317 HD2 PRO 39 HD2 PRO 39 -1.511 -4.025 10.285 318 HD3 PRO 39 HD1 PRO 39 -2.831 -4.872 9.452 319 H GLU 40 HN GLU 40 0.909 -4.458 9.574 320 HA GLU 40 HA GLU 40 3.186 -2.781 9.292 321 HB2 GLU 40 HB2 GLU 40 2.546 -5.150 11.033 322 HB3 GLU 40 HB1 GLU 40 4.113 -4.355 11.096 323 HG2 GLU 40 HG2 GLU 40 3.018 -2.250 11.688 324 HG3 GLU 40 HG1 GLU 40 1.451 -3.054 11.630 325 H ASP 41 HN ASP 41 2.321 -5.720 7.824 326 HA ASP 41 HA ASP 41 5.086 -6.514 7.304 327 HB2 ASP 41 HB2 ASP 41 2.442 -7.854 6.719 328 HB3 ASP 41 HB1 ASP 41 3.984 -8.484 6.154 329 H ILE 42 HN ILE 42 2.484 -4.838 5.809 330 HA ILE 42 HA ILE 42 3.555 -5.232 3.123 331 HB ILE 42 HB ILE 42 1.325 -3.335 3.557 332 HG12 ILE 42 HG12 ILE 42 0.825 -6.307 3.699 333 HG13 ILE 42 HG11 ILE 42 0.888 -5.275 5.124 334 HG21 ILE 42 HG21 ILE 42 1.810 -5.560 1.582 335 HG22 ILE 42 HG22 ILE 42 2.163 -3.849 1.328 336 HG23 ILE 42 HG23 ILE 42 0.493 -4.389 1.513 337 HD11 ILE 42 HD11 ILE 42 -1.396 -5.612 4.509 338 HD12 ILE 42 HD12 ILE 42 -1.073 -5.105 2.850 339 HD13 ILE 42 HD13 ILE 42 -0.965 -3.936 4.165 340 H LYS 43 HN LYS 43 4.290 -3.568 1.815 341 HA LYS 43 HA LYS 43 4.735 -0.959 3.066 342 HB2 LYS 43 HB2 LYS 43 6.760 -2.682 3.098 343 HB3 LYS 43 HB1 LYS 43 6.959 -2.101 1.451 344 HG2 LYS 43 HG2 LYS 43 8.314 -0.650 2.583 345 HG3 LYS 43 HG1 LYS 43 6.798 0.253 2.583 346 HD2 LYS 43 HD2 LYS 43 6.315 -0.756 4.835 347 HD3 LYS 43 HD1 LYS 43 7.959 -1.392 4.824 348 HE2 LYS 43 HE2 LYS 43 8.845 0.875 4.634 349 HE3 LYS 43 HE1 LYS 43 7.203 1.520 4.619 350 HZ1 LYS 43 HZ1 LYS 43 8.198 1.693 6.811 351 HZ2 LYS 43 HZ2 LYS 43 8.452 0.021 6.859 352 HZ3 LYS 43 HZ3 LYS 43 6.876 0.635 6.847 353 H LEU 44 HN LEU 44 4.250 0.663 1.755 354 HA LEU 44 HA LEU 44 3.534 0.063 -0.996 355 HB2 LEU 44 HB2 LEU 44 3.168 2.497 0.742 356 HB3 LEU 44 HB1 LEU 44 2.753 2.484 -0.960 357 HG LEU 44 HG LEU 44 0.716 2.105 0.097 358 HD11 LEU 44 HD11 LEU 44 1.716 -0.694 -0.382 359 HD12 LEU 44 HD12 LEU 44 1.231 0.422 -1.659 360 HD13 LEU 44 HD13 LEU 44 0.052 -0.120 -0.466 361 HD21 LEU 44 HD21 LEU 44 2.003 0.071 1.907 362 HD22 LEU 44 HD22 LEU 44 0.348 0.675 1.986 363 HD23 LEU 44 HD23 LEU 44 1.698 1.749 2.352 364 H THR 45 HN THR 45 4.884 0.371 -2.633 365 HA THR 45 HA THR 45 7.103 2.271 -2.258 366 HB THR 45 HB THR 45 7.329 0.189 -4.356 367 HG1 THR 45 HG1 THR 45 8.184 -1.243 -2.613 368 HG21 THR 45 HG21 THR 45 9.113 1.803 -4.023 369 HG22 THR 45 HG22 THR 45 9.673 0.190 -3.579 370 HG23 THR 45 HG23 THR 45 9.237 1.349 -2.324 371 H HIS 46 HN HIS 46 7.217 3.952 -3.565 372 HA HIS 46 HA HIS 46 5.940 3.851 -6.201 373 HB2 HIS 46 HB2 HIS 46 4.622 5.046 -4.179 374 HB3 HIS 46 HB1 HIS 46 5.638 6.388 -4.687 375 HD1 HIS 46 HD1 HIS 46 3.579 3.824 -6.629 376 HD2 HIS 46 HD2 HIS 46 4.206 7.923 -6.367 377 HE1 HIS 46 HE1 HIS 46 2.130 4.843 -8.415 378 HE2 HIS 46 HE2 HIS 46 2.526 7.325 -8.238 379 H ASN 47 HN ASN 47 7.377 4.401 -7.674 380 HA ASN 47 HA ASN 47 9.109 5.372 -8.771 381 HB2 ASN 47 HB2 ASN 47 8.741 7.481 -6.641 382 HB3 ASN 47 HB1 ASN 47 9.874 7.647 -7.981 383 HD21 ASN 47 HD21 ASN 47 6.656 7.918 -6.943 384 HD22 ASN 47 HD22 ASN 47 5.960 8.375 -8.454 385 H GLY 48 HN GLY 48 9.546 3.505 -6.479 386 HA2 GLY 48 HA2 GLY 48 11.577 2.451 -5.914 387 HA3 GLY 48 HA1 GLY 48 12.427 3.941 -6.290 388 H LYS 49 HN LYS 49 10.273 5.347 -4.582 389 HA LYS 49 HA LYS 49 11.692 4.922 -2.049 390 HB2 LYS 49 HB2 LYS 49 10.072 7.222 -3.132 391 HB3 LYS 49 HB1 LYS 49 10.516 7.119 -1.432 392 HG2 LYS 49 HG2 LYS 49 12.876 7.083 -2.049 393 HG3 LYS 49 HG1 LYS 49 12.434 7.184 -3.755 394 HD2 LYS 49 HD2 LYS 49 11.377 9.353 -3.348 395 HD3 LYS 49 HD1 LYS 49 11.803 9.245 -1.640 396 HE2 LYS 49 HE2 LYS 49 13.454 10.615 -2.598 397 HE3 LYS 49 HE1 LYS 49 14.215 9.034 -2.412 398 HZ1 LYS 49 HZ1 LYS 49 13.036 10.086 -4.928 399 HZ2 LYS 49 HZ2 LYS 49 13.804 8.591 -4.744 400 HZ3 LYS 49 HZ3 LYS 49 14.689 10.021 -4.573 401 H THR 50 HN THR 50 10.572 4.686 -0.090 402 HA THR 50 HA THR 50 7.976 3.393 -0.400 403 HB THR 50 HB THR 50 8.393 2.821 2.085 404 HG1 THR 50 HG1 THR 50 10.600 2.925 2.673 405 HG21 THR 50 HG21 THR 50 8.588 1.209 0.238 406 HG22 THR 50 HG22 THR 50 9.812 0.927 1.478 407 HG23 THR 50 HG23 THR 50 10.252 1.726 -0.030 408 H LEU 51 HN LEU 51 6.181 3.912 0.873 409 HA LEU 51 HA LEU 51 6.090 6.733 1.662 410 HB2 LEU 51 HB2 LEU 51 3.925 4.704 1.125 411 HB3 LEU 51 HB1 LEU 51 3.607 6.333 1.696 412 HG LEU 51 HG LEU 51 5.174 5.930 -0.821 413 HD11 LEU 51 HD11 LEU 51 3.068 6.035 -2.089 414 HD12 LEU 51 HD12 LEU 51 2.171 5.860 -0.579 415 HD13 LEU 51 HD13 LEU 51 3.215 4.555 -1.142 416 HD21 LEU 51 HD21 LEU 51 4.400 8.097 -1.353 417 HD22 LEU 51 HD22 LEU 51 4.916 8.151 0.333 418 HD23 LEU 51 HD23 LEU 51 3.201 8.063 -0.061 419 H ASP 52 HN ASP 52 5.716 7.412 3.707 420 HA ASP 52 HA ASP 52 5.828 5.413 5.815 421 HB2 ASP 52 HB2 ASP 52 7.150 7.691 5.648 422 HB3 ASP 52 HB1 ASP 52 5.687 8.347 6.381 423 HA PRO 53 HA PRO 53 1.456 5.448 6.615 424 HB2 PRO 53 HB2 PRO 53 2.116 4.783 9.401 425 HB3 PRO 53 HB1 PRO 53 1.233 3.834 8.198 426 HG2 PRO 53 HG2 PRO 53 3.707 3.163 9.001 427 HG3 PRO 53 HG1 PRO 53 3.128 2.866 7.352 428 HD2 PRO 53 HD2 PRO 53 4.952 4.993 8.360 429 HD3 PRO 53 HD1 PRO 53 4.998 4.088 6.836 430 H SER 54 HN SER 54 3.684 7.328 8.545 431 HA SER 54 HA SER 54 1.663 8.646 10.095 432 HB2 SER 54 HB2 SER 54 4.577 9.311 9.661 433 HB3 SER 54 HB1 SER 54 3.526 10.104 10.834 434 HG SER 54 HG SER 54 4.172 7.339 10.769 435 H LEU 55 HN LEU 55 3.195 9.265 7.015 436 HA LEU 55 HA LEU 55 2.297 12.000 6.948 437 HB2 LEU 55 HB2 LEU 55 3.921 10.222 5.206 438 HB3 LEU 55 HB1 LEU 55 3.250 11.678 4.560 439 HG LEU 55 HG LEU 55 4.428 12.625 6.827 440 HD11 LEU 55 HD11 LEU 55 6.639 11.652 6.983 441 HD12 LEU 55 HD12 LEU 55 6.236 10.476 5.731 442 HD13 LEU 55 HD13 LEU 55 5.413 10.423 7.291 443 HD21 LEU 55 HD21 LEU 55 6.193 13.458 5.341 444 HD22 LEU 55 HD22 LEU 55 4.592 13.625 4.622 445 HD23 LEU 55 HD23 LEU 55 5.664 12.329 4.093 446 H THR 56 HN THR 56 1.559 12.442 4.462 447 HA THR 56 HA THR 56 -0.924 10.883 4.156 448 HB THR 56 HB THR 56 -1.927 12.909 3.138 449 HG1 THR 56 HG1 THR 56 0.412 14.243 4.075 450 HG21 THR 56 HG21 THR 56 -2.026 14.263 5.260 451 HG22 THR 56 HG22 THR 56 -0.829 13.157 5.933 452 HG23 THR 56 HG23 THR 56 -2.411 12.551 5.442 453 H LEU 57 HN LEU 57 -1.774 10.681 1.988 454 HA LEU 57 HA LEU 57 0.237 9.924 0.111 455 HB2 LEU 57 HB2 LEU 57 -2.766 10.067 -0.105 456 HB3 LEU 57 HB1 LEU 57 -1.725 9.394 -1.347 457 HG LEU 57 HG LEU 57 -1.561 8.299 1.429 458 HD11 LEU 57 HD11 LEU 57 -3.942 8.339 0.989 459 HD12 LEU 57 HD12 LEU 57 -3.330 6.688 0.901 460 HD13 LEU 57 HD13 LEU 57 -3.686 7.576 -0.581 461 HD21 LEU 57 HD21 LEU 57 0.048 7.568 -0.249 462 HD22 LEU 57 HD22 LEU 57 -1.272 7.070 -1.308 463 HD23 LEU 57 HD23 LEU 57 -1.017 6.246 0.230 464 H ALA 58 HN ALA 58 -1.826 12.721 0.494 465 HA ALA 58 HA ALA 58 -1.364 13.708 -2.170 466 HB1 ALA 58 HB1 ALA 58 -2.570 15.106 0.209 467 HB2 ALA 58 HB2 ALA 58 -3.457 14.163 -0.989 468 HB3 ALA 58 HB3 ALA 58 -2.639 15.651 -1.466 469 H GLU 59 HN GLU 59 0.552 13.659 0.577 470 HA GLU 59 HA GLU 59 1.756 16.272 0.220 471 HB2 GLU 59 HB2 GLU 59 1.535 14.662 2.384 472 HB3 GLU 59 HB1 GLU 59 3.148 14.223 1.842 473 HG2 GLU 59 HG2 GLU 59 2.470 17.107 2.081 474 HG3 GLU 59 HG1 GLU 59 2.747 16.180 3.554 475 H TYR 60 HN TYR 60 2.336 12.967 -0.665 476 HA TYR 60 HA TYR 60 5.008 13.441 -1.609 477 HB2 TYR 60 HB2 TYR 60 3.147 11.095 -1.500 478 HB3 TYR 60 HB1 TYR 60 4.621 11.022 -2.446 479 HD1 TYR 60 HD2 TYR 60 6.808 11.036 -1.350 480 HD2 TYR 60 HD1 TYR 60 3.207 11.144 0.911 481 HE1 TYR 60 HE2 TYR 60 8.069 10.442 0.679 482 HE2 TYR 60 HE1 TYR 60 4.453 10.550 2.944 483 HH TYR 60 HH TYR 60 7.830 10.662 3.133 484 H GLY 61 HN GLY 61 1.826 13.638 -2.893 485 HA2 GLY 61 HA2 GLY 61 1.312 14.624 -4.965 486 HA3 GLY 61 HA1 GLY 61 2.948 14.286 -5.505 487 H ILE 62 HN ILE 62 0.459 12.107 -4.170 488 HA ILE 62 HA ILE 62 0.777 10.454 -6.583 489 HB ILE 62 HB ILE 62 -0.529 9.585 -4.009 490 HG12 ILE 62 HG12 ILE 62 2.190 8.601 -4.620 491 HG13 ILE 62 HG11 ILE 62 2.096 10.287 -4.122 492 HG21 ILE 62 HG21 ILE 62 -0.088 7.337 -4.858 493 HG22 ILE 62 HG22 ILE 62 0.653 8.025 -6.302 494 HG23 ILE 62 HG23 ILE 62 -1.067 8.268 -5.992 495 HD11 ILE 62 HD11 ILE 62 2.500 8.895 -2.207 496 HD12 ILE 62 HD12 ILE 62 1.094 7.900 -2.591 497 HD13 ILE 62 HD13 ILE 62 0.877 9.580 -2.098 498 H THR 63 HN THR 63 -0.909 10.002 -7.895 499 HA THR 63 HA THR 63 -3.554 11.046 -7.124 500 HB THR 63 HB THR 63 -3.909 11.376 -9.636 501 HG1 THR 63 HG1 THR 63 -2.136 11.396 -10.923 502 HG21 THR 63 HG21 THR 63 -1.856 13.084 -8.225 503 HG22 THR 63 HG22 THR 63 -3.608 13.248 -8.100 504 HG23 THR 63 HG23 THR 63 -2.798 13.566 -9.635 505 HA PRO 64 HA PRO 64 -5.231 7.055 -8.019 506 HB2 PRO 64 HB2 PRO 64 -7.578 8.223 -9.314 507 HB3 PRO 64 HB1 PRO 64 -7.465 7.381 -7.764 508 HG2 PRO 64 HG2 PRO 64 -7.952 10.028 -7.931 509 HG3 PRO 64 HG1 PRO 64 -7.063 9.298 -6.581 510 HD2 PRO 64 HD2 PRO 64 -6.014 10.782 -8.949 511 HD3 PRO 64 HD1 PRO 64 -5.488 10.842 -7.253 512 H GLY 65 HN GLY 65 -5.109 5.553 -9.620 513 HA2 GLY 65 HA2 GLY 65 -5.548 4.852 -11.886 514 HA3 GLY 65 HA1 GLY 65 -5.253 6.504 -12.405 515 H SER 66 HN SER 66 -3.014 5.613 -10.088 516 HA SER 66 HA SER 66 -0.988 5.189 -12.163 517 HB2 SER 66 HB2 SER 66 -0.700 5.948 -9.244 518 HB3 SER 66 HB1 SER 66 0.647 5.727 -10.363 519 HG SER 66 HG SER 66 -1.214 7.400 -11.388 520 H THR 67 HN THR 67 0.875 3.736 -11.451 521 HA THR 67 HA THR 67 -0.278 1.189 -10.601 522 HB THR 67 HB THR 67 2.016 0.311 -11.376 523 HG1 THR 67 HG1 THR 67 2.684 2.039 -13.119 524 HG21 THR 67 HG21 THR 67 -0.070 0.063 -12.662 525 HG22 THR 67 HG22 THR 67 1.327 0.300 -13.711 526 HG23 THR 67 HG23 THR 67 0.217 1.635 -13.407 527 H ILE 68 HN ILE 68 0.025 0.444 -8.598 528 HA ILE 68 HA ILE 68 2.343 1.451 -7.071 529 HB ILE 68 HB ILE 68 -0.251 0.550 -5.824 530 HG12 ILE 68 HG12 ILE 68 -0.097 3.290 -5.467 531 HG13 ILE 68 HG11 ILE 68 0.418 3.079 -7.138 532 HG21 ILE 68 HG21 ILE 68 2.066 2.159 -4.756 533 HG22 ILE 68 HG22 ILE 68 1.705 0.475 -4.373 534 HG23 ILE 68 HG23 ILE 68 0.600 1.752 -3.865 535 HD11 ILE 68 HD11 ILE 68 -2.147 2.017 -5.974 536 HD12 ILE 68 HD12 ILE 68 -1.641 1.940 -7.662 537 HD13 ILE 68 HD13 ILE 68 -1.990 3.499 -6.917 538 H THR 69 HN THR 69 3.708 -0.023 -6.276 539 HA THR 69 HA THR 69 2.939 -2.850 -6.446 540 HB THR 69 HB THR 69 5.622 -2.960 -6.274 541 HG1 THR 69 HG1 THR 69 5.024 -0.515 -7.614 542 HG21 THR 69 HG21 THR 69 4.042 -2.477 -8.802 543 HG22 THR 69 HG22 THR 69 4.282 -4.034 -8.006 544 HG23 THR 69 HG23 THR 69 5.652 -3.191 -8.731 545 H LEU 70 HN LEU 70 2.831 -3.966 -4.599 546 HA LEU 70 HA LEU 70 3.728 -2.661 -2.144 547 HB2 LEU 70 HB2 LEU 70 2.354 -4.261 -0.967 548 HB3 LEU 70 HB1 LEU 70 1.428 -3.499 -2.243 549 HG LEU 70 HG LEU 70 2.395 -5.763 -3.474 550 HD11 LEU 70 HD11 LEU 70 1.800 -7.602 -1.935 551 HD12 LEU 70 HD12 LEU 70 1.651 -6.430 -0.627 552 HD13 LEU 70 HD13 LEU 70 3.215 -6.693 -1.401 553 HD21 LEU 70 HD21 LEU 70 -0.205 -5.055 -2.163 554 HD22 LEU 70 HD22 LEU 70 0.011 -6.601 -2.986 555 HD23 LEU 70 HD23 LEU 70 0.204 -5.094 -3.879 556 H GLU 71 HN GLU 71 4.773 -3.968 -0.472 557 HA GLU 71 HA GLU 71 6.392 -6.191 -1.485 558 HB2 GLU 71 HB2 GLU 71 7.424 -3.652 -0.240 559 HB3 GLU 71 HB1 GLU 71 8.342 -5.147 -0.149 560 HG2 GLU 71 HG2 GLU 71 8.241 -5.260 -2.644 561 HG3 GLU 71 HG1 GLU 71 7.542 -3.640 -2.622 562 H ILE 72 HN ILE 72 7.001 -7.700 0.075 563 HA ILE 72 HA ILE 72 5.954 -7.248 2.792 564 HB ILE 72 HB ILE 72 5.863 -9.937 1.430 565 HG12 ILE 72 HG12 ILE 72 3.332 -8.491 1.919 566 HG13 ILE 72 HG11 ILE 72 4.322 -7.863 0.605 567 HG21 ILE 72 HG21 ILE 72 4.529 -8.866 3.913 568 HG22 ILE 72 HG22 ILE 72 5.898 -9.978 3.865 569 HG23 ILE 72 HG23 ILE 72 4.325 -10.491 3.256 570 HD11 ILE 72 HD11 ILE 72 4.330 -10.088 -0.424 571 HD12 ILE 72 HD12 ILE 72 2.699 -9.445 -0.227 572 HD13 ILE 72 HD13 ILE 72 3.300 -10.679 0.881 573 H LYS 73 HN LYS 73 7.327 -7.710 4.402 574 HA LYS 73 HA LYS 73 9.936 -8.815 3.663 575 HB2 LYS 73 HB2 LYS 73 9.002 -7.114 5.960 576 HB3 LYS 73 HB1 LYS 73 10.558 -7.935 5.998 577 HG2 LYS 73 HG2 LYS 73 11.231 -6.758 3.968 578 HG3 LYS 73 HG1 LYS 73 9.672 -5.932 3.932 579 HD2 LYS 73 HD2 LYS 73 10.171 -4.917 6.107 580 HD3 LYS 73 HD1 LYS 73 11.737 -5.733 6.123 581 HE2 LYS 73 HE2 LYS 73 12.376 -4.533 4.087 582 HE3 LYS 73 HE1 LYS 73 10.815 -3.716 4.079 583 HZ1 LYS 73 HZ1 LYS 73 11.378 -2.709 6.205 584 HZ2 LYS 73 HZ2 LYS 73 12.531 -2.317 5.031 585 HZ3 LYS 73 HZ3 LYS 73 12.880 -3.488 6.201 586 H LYS 74 HN LYS 74 10.608 -10.735 4.335 587 HA LYS 74 HA LYS 74 9.246 -12.025 6.591 588 HB2 LYS 74 HB2 LYS 74 8.563 -12.765 4.133 589 HB3 LYS 74 HB1 LYS 74 10.040 -13.711 4.262 590 HG2 LYS 74 HG2 LYS 74 9.175 -14.799 6.269 591 HG3 LYS 74 HG1 LYS 74 7.697 -13.841 6.154 592 HD2 LYS 74 HD2 LYS 74 7.211 -14.857 3.979 593 HD3 LYS 74 HD1 LYS 74 8.695 -15.807 4.090 594 HE2 LYS 74 HE2 LYS 74 7.835 -16.909 6.098 595 HE3 LYS 74 HE1 LYS 74 6.357 -15.954 5.992 596 HZ1 LYS 74 HZ1 LYS 74 7.300 -17.910 3.964 597 HZ2 LYS 74 HZ2 LYS 74 5.882 -16.994 3.862 598 HZ3 LYS 74 HZ3 LYS 74 6.047 -18.163 5.074 599 H LYS 75 HN LYS 75 10.563 -13.119 7.953 600 HA LYS 75 HA LYS 75 13.428 -13.066 7.328 601 HB2 LYS 75 HB2 LYS 75 11.897 -13.146 9.917 602 HB3 LYS 75 HB1 LYS 75 13.613 -13.523 9.852 603 HG2 LYS 75 HG2 LYS 75 14.059 -11.303 8.915 604 HG3 LYS 75 HG1 LYS 75 12.337 -10.928 9.008 605 HD2 LYS 75 HD2 LYS 75 12.410 -11.233 11.441 606 HD3 LYS 75 HD1 LYS 75 14.134 -11.596 11.341 607 HE2 LYS 75 HE2 LYS 75 14.549 -9.361 10.430 608 HE3 LYS 75 HE1 LYS 75 12.826 -9.000 10.533 609 HZ1 LYS 75 HZ1 LYS 75 14.035 -8.083 12.409 610 HZ2 LYS 75 HZ2 LYS 75 14.603 -9.618 12.831 611 HZ3 LYS 75 HZ3 LYS 75 12.952 -9.273 12.932 612 H GLY 76 HN GLY 76 14.705 -14.878 7.438 613 HA2 GLY 76 HA2 GLY 76 14.443 -17.281 8.560 614 HA3 GLY 76 HA1 GLY 76 13.284 -17.415 7.244 615 H GLY 77 HN GLY 77 16.667 -16.467 7.835 616 HA2 GLY 77 HA2 GLY 77 18.416 -17.792 6.744 617 HA3 GLY 77 HA1 GLY 77 17.366 -17.871 5.334 618 H LEU 78 HN LEU 78 19.320 -15.714 7.326 619 HA LEU 78 HA LEU 78 19.712 -14.014 4.959 620 HB2 LEU 78 HB2 LEU 78 19.205 -13.130 7.794 621 HB3 LEU 78 HB1 LEU 78 19.860 -12.066 6.564 622 HG LEU 78 HG LEU 78 17.570 -13.102 5.386 623 HD11 LEU 78 HD11 LEU 78 15.802 -12.696 7.025 624 HD12 LEU 78 HD12 LEU 78 17.020 -12.441 8.274 625 HD13 LEU 78 HD13 LEU 78 16.851 -14.026 7.519 626 HD21 LEU 78 HD21 LEU 78 17.958 -10.510 6.877 627 HD22 LEU 78 HD22 LEU 78 16.700 -10.833 5.685 628 HD23 LEU 78 HD23 LEU 78 18.393 -10.819 5.196 629 H GLU 79 HN GLU 79 21.761 -13.747 4.433 630 HA GLU 79 HA GLU 79 24.018 -13.615 4.486 631 HB2 GLU 79 HB2 GLU 79 23.463 -13.161 7.410 632 HB3 GLU 79 HB1 GLU 79 25.105 -13.223 6.782 633 HG2 GLU 79 HG2 GLU 79 24.554 -11.384 5.239 634 HG3 GLU 79 HG1 GLU 79 22.946 -11.294 5.958 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -8.717 8.221 -12.363 2 H2 MET 1 HT2 MET 1 -9.736 7.143 -11.551 3 H3 MET 1 HT3 MET 1 -8.312 7.682 -10.811 4 HA MET 1 HA MET 1 -9.159 9.938 -10.765 5 HB2 MET 1 HB2 MET 1 -11.538 8.595 -12.034 6 HB3 MET 1 HB1 MET 1 -11.682 10.127 -11.179 7 HG2 MET 1 HG2 MET 1 -10.062 11.131 -12.704 8 HG3 MET 1 HG1 MET 1 -9.919 9.597 -13.559 9 HE1 MET 1 HE1 MET 1 -10.458 10.808 -15.871 10 HE2 MET 1 HE2 MET 1 -10.571 12.346 -15.013 11 HE3 MET 1 HE3 MET 1 -11.857 11.851 -16.115 12 H ASP 2 HN ASP 2 -10.816 6.909 -10.036 13 HA ASP 2 HA ASP 2 -11.016 7.774 -7.234 14 HB2 ASP 2 HB2 ASP 2 -13.199 6.535 -8.913 15 HB3 ASP 2 HB1 ASP 2 -13.226 6.489 -7.155 16 H THR 3 HN THR 3 -10.287 5.367 -9.540 17 HA THR 3 HA THR 3 -10.043 3.314 -7.446 18 HB THR 3 HB THR 3 -9.860 1.720 -9.441 19 HG1 THR 3 HG1 THR 3 -11.306 3.051 -11.160 20 HG21 THR 3 HG21 THR 3 -11.857 1.861 -8.031 21 HG22 THR 3 HG22 THR 3 -12.294 1.605 -9.722 22 HG23 THR 3 HG23 THR 3 -12.453 3.207 -9.002 23 H ILE 4 HN ILE 4 -8.180 2.025 -7.357 24 HA ILE 4 HA ILE 4 -5.830 3.035 -8.813 25 HB ILE 4 HB ILE 4 -4.493 2.539 -6.708 26 HG12 ILE 4 HG12 ILE 4 -6.929 3.076 -5.094 27 HG13 ILE 4 HG11 ILE 4 -6.762 1.448 -5.741 28 HG21 ILE 4 HG21 ILE 4 -4.889 4.800 -7.471 29 HG22 ILE 4 HG22 ILE 4 -4.988 4.730 -5.711 30 HG23 ILE 4 HG23 ILE 4 -6.463 4.818 -6.673 31 HD11 ILE 4 HD11 ILE 4 -4.598 1.231 -4.649 32 HD12 ILE 4 HD12 ILE 4 -5.867 1.619 -3.487 33 HD13 ILE 4 HD13 ILE 4 -4.746 2.871 -4.019 34 H ASN 5 HN ASN 5 -4.090 1.484 -9.025 35 HA ASN 5 HA ASN 5 -5.059 -1.289 -8.853 36 HB2 ASN 5 HB2 ASN 5 -4.595 -1.387 -11.046 37 HB3 ASN 5 HB1 ASN 5 -3.852 0.205 -11.019 38 HD21 ASN 5 HD21 ASN 5 -1.733 0.358 -11.211 39 HD22 ASN 5 HD22 ASN 5 -0.652 -0.982 -11.276 40 H ILE 6 HN ILE 6 -3.985 -2.670 -7.631 41 HA ILE 6 HA ILE 6 -1.318 -1.893 -6.647 42 HB ILE 6 HB ILE 6 -3.167 -3.628 -5.031 43 HG12 ILE 6 HG12 ILE 6 -3.348 -1.190 -3.802 44 HG13 ILE 6 HG11 ILE 6 -3.387 -0.724 -5.499 45 HG21 ILE 6 HG21 ILE 6 -1.710 -3.275 -3.303 46 HG22 ILE 6 HG22 ILE 6 -1.203 -1.698 -3.908 47 HG23 ILE 6 HG23 ILE 6 -0.597 -3.169 -4.669 48 HD11 ILE 6 HD11 ILE 6 -5.244 -2.678 -4.159 49 HD12 ILE 6 HD12 ILE 6 -5.289 -2.209 -5.860 50 HD13 ILE 6 HD13 ILE 6 -5.625 -1.014 -4.604 51 H THR 7 HN THR 7 0.153 -3.171 -7.515 52 HA THR 7 HA THR 7 -0.569 -5.807 -8.488 53 HB THR 7 HB THR 7 2.241 -4.844 -8.632 54 HG1 THR 7 HG1 THR 7 1.741 -3.401 -10.271 55 HG21 THR 7 HG21 THR 7 0.372 -6.182 -10.592 56 HG22 THR 7 HG22 THR 7 1.606 -6.983 -9.621 57 HG23 THR 7 HG23 THR 7 2.078 -5.839 -10.878 58 H LEU 8 HN LEU 8 -0.015 -7.701 -7.620 59 HA LEU 8 HA LEU 8 1.435 -7.689 -5.086 60 HB2 LEU 8 HB2 LEU 8 -0.850 -9.000 -6.104 61 HB3 LEU 8 HB1 LEU 8 0.373 -10.218 -5.904 62 HG LEU 8 HG LEU 8 0.526 -8.879 -3.516 63 HD11 LEU 8 HD11 LEU 8 -2.409 -9.165 -4.053 64 HD12 LEU 8 HD12 LEU 8 -1.563 -7.643 -4.335 65 HD13 LEU 8 HD13 LEU 8 -1.598 -8.348 -2.719 66 HD21 LEU 8 HD21 LEU 8 -0.647 -10.819 -2.592 67 HD22 LEU 8 HD22 LEU 8 0.533 -11.292 -3.814 68 HD23 LEU 8 HD23 LEU 8 -1.185 -11.262 -4.212 69 HA PRO 9 HA PRO 9 4.925 -9.805 -6.886 70 HB2 PRO 9 HB2 PRO 9 5.083 -11.716 -4.678 71 HB3 PRO 9 HB1 PRO 9 6.180 -10.388 -5.082 72 HG2 PRO 9 HG2 PRO 9 4.598 -10.328 -2.902 73 HG3 PRO 9 HG1 PRO 9 5.062 -8.868 -3.794 74 HD2 PRO 9 HD2 PRO 9 2.491 -10.388 -3.871 75 HD3 PRO 9 HD1 PRO 9 2.770 -8.633 -3.883 76 H ASP 10 HN ASP 10 1.976 -11.312 -6.436 77 HA ASP 10 HA ASP 10 2.833 -13.935 -7.384 78 HB2 ASP 10 HB2 ASP 10 0.191 -12.814 -6.473 79 HB3 ASP 10 HB1 ASP 10 0.307 -14.391 -7.247 80 H GLY 11 HN GLY 11 1.789 -10.969 -8.650 81 HA2 GLY 11 HA2 GLY 11 1.922 -10.544 -10.994 82 HA3 GLY 11 HA1 GLY 11 1.485 -12.217 -11.292 83 H LYS 12 HN LYS 12 -0.499 -11.014 -8.885 84 HA LYS 12 HA LYS 12 -2.601 -10.471 -10.867 85 HB2 LYS 12 HB2 LYS 12 -4.183 -10.989 -8.960 86 HB3 LYS 12 HB1 LYS 12 -3.237 -12.342 -9.562 87 HG2 LYS 12 HG2 LYS 12 -1.698 -12.101 -7.675 88 HG3 LYS 12 HG1 LYS 12 -2.667 -10.757 -7.067 89 HD2 LYS 12 HD2 LYS 12 -4.605 -12.265 -6.885 90 HD3 LYS 12 HD1 LYS 12 -3.601 -13.602 -7.446 91 HE2 LYS 12 HE2 LYS 12 -3.601 -13.831 -5.125 92 HE3 LYS 12 HE1 LYS 12 -2.070 -13.031 -5.477 93 HZ1 LYS 12 HZ1 LYS 12 -3.095 -10.914 -4.896 94 HZ2 LYS 12 HZ2 LYS 12 -3.176 -12.003 -3.603 95 HZ3 LYS 12 HZ3 LYS 12 -4.554 -11.698 -4.538 96 H THR 13 HN THR 13 -3.912 -8.695 -10.694 97 HA THR 13 HA THR 13 -2.854 -6.547 -8.995 98 HB THR 13 HB THR 13 -4.178 -5.060 -10.593 99 HG1 THR 13 HG1 THR 13 -4.048 -7.246 -12.375 100 HG21 THR 13 HG21 THR 13 -2.433 -5.174 -12.324 101 HG22 THR 13 HG22 THR 13 -1.912 -6.734 -11.687 102 HG23 THR 13 HG23 THR 13 -1.746 -5.280 -10.702 103 H LEU 14 HN LEU 14 -4.336 -5.041 -8.032 104 HA LEU 14 HA LEU 14 -7.020 -6.133 -7.504 105 HB2 LEU 14 HB2 LEU 14 -5.147 -6.324 -5.650 106 HB3 LEU 14 HB1 LEU 14 -5.545 -4.638 -5.379 107 HG LEU 14 HG LEU 14 -7.844 -6.498 -5.454 108 HD11 LEU 14 HD11 LEU 14 -7.465 -7.226 -3.137 109 HD12 LEU 14 HD12 LEU 14 -5.851 -6.521 -3.194 110 HD13 LEU 14 HD13 LEU 14 -6.260 -7.874 -4.249 111 HD21 LEU 14 HD21 LEU 14 -8.107 -4.117 -4.980 112 HD22 LEU 14 HD22 LEU 14 -7.021 -4.263 -3.600 113 HD23 LEU 14 HD23 LEU 14 -8.577 -5.094 -3.591 114 H THR 15 HN THR 15 -8.652 -4.592 -7.093 115 HA THR 15 HA THR 15 -7.934 -1.819 -7.791 116 HB THR 15 HB THR 15 -10.676 -2.841 -8.361 117 HG1 THR 15 HG1 THR 15 -8.622 -4.117 -9.303 118 HG21 THR 15 HG21 THR 15 -8.828 -0.893 -9.744 119 HG22 THR 15 HG22 THR 15 -10.178 -0.482 -8.687 120 HG23 THR 15 HG23 THR 15 -10.479 -1.258 -10.243 121 H LEU 16 HN LEU 16 -8.365 -0.380 -6.252 122 HA LEU 16 HA LEU 16 -10.598 -0.886 -4.411 123 HB2 LEU 16 HB2 LEU 16 -8.183 -1.379 -3.523 124 HB3 LEU 16 HB1 LEU 16 -8.070 0.366 -3.406 125 HG LEU 16 HG LEU 16 -10.491 -0.724 -2.166 126 HD11 LEU 16 HD11 LEU 16 -9.315 -1.588 -0.178 127 HD12 LEU 16 HD12 LEU 16 -7.787 -1.465 -1.055 128 HD13 LEU 16 HD13 LEU 16 -9.037 -2.578 -1.615 129 HD21 LEU 16 HD21 LEU 16 -9.791 1.588 -1.930 130 HD22 LEU 16 HD22 LEU 16 -8.267 1.071 -1.211 131 HD23 LEU 16 HD23 LEU 16 -9.786 0.778 -0.365 132 H THR 17 HN THR 17 -11.504 1.019 -3.436 133 HA THR 17 HA THR 17 -11.187 3.392 -5.123 134 HB THR 17 HB THR 17 -13.344 3.183 -3.066 135 HG1 THR 17 HG1 THR 17 -14.594 2.002 -4.658 136 HG21 THR 17 HG21 THR 17 -14.628 4.388 -4.755 137 HG22 THR 17 HG22 THR 17 -13.290 4.236 -5.894 138 HG23 THR 17 HG23 THR 17 -13.098 5.209 -4.438 139 H VAL 18 HN VAL 18 -10.046 5.081 -4.393 140 HA VAL 18 HA VAL 18 -9.951 5.564 -1.490 141 HB VAL 18 HB VAL 18 -7.552 6.286 -1.756 142 HG11 VAL 18 HG11 VAL 18 -8.321 3.405 -2.144 143 HG12 VAL 18 HG12 VAL 18 -7.964 4.245 -0.634 144 HG13 VAL 18 HG13 VAL 18 -6.674 3.927 -1.794 145 HG21 VAL 18 HG21 VAL 18 -8.008 5.082 -4.456 146 HG22 VAL 18 HG22 VAL 18 -6.410 5.023 -3.713 147 HG23 VAL 18 HG23 VAL 18 -7.181 6.579 -4.021 148 H THR 19 HN THR 19 -8.958 7.782 -1.019 149 HA THR 19 HA THR 19 -9.627 9.740 -3.106 150 HB THR 19 HB THR 19 -10.648 11.195 -1.273 151 HG1 THR 19 HG1 THR 19 -11.615 9.756 0.427 152 HG21 THR 19 HG21 THR 19 -12.859 10.114 -1.428 153 HG22 THR 19 HG22 THR 19 -12.090 8.659 -2.060 154 HG23 THR 19 HG23 THR 19 -12.034 10.160 -2.985 155 HA PRO 20 HA PRO 20 -5.963 11.857 -1.826 156 HB2 PRO 20 HB2 PRO 20 -7.374 14.439 -1.796 157 HB3 PRO 20 HB1 PRO 20 -6.066 13.888 -2.852 158 HG2 PRO 20 HG2 PRO 20 -8.558 14.193 -3.776 159 HG3 PRO 20 HG1 PRO 20 -7.495 12.896 -4.359 160 HD2 PRO 20 HD2 PRO 20 -9.737 12.753 -2.388 161 HD3 PRO 20 HD1 PRO 20 -9.304 11.627 -3.692 162 H GLU 21 HN GLU 21 -8.843 12.174 0.042 163 HA GLU 21 HA GLU 21 -7.560 13.618 2.207 164 HB2 GLU 21 HB2 GLU 21 -10.098 13.643 1.399 165 HB3 GLU 21 HB1 GLU 21 -10.217 12.328 2.560 166 HG2 GLU 21 HG2 GLU 21 -9.367 13.774 4.315 167 HG3 GLU 21 HG1 GLU 21 -9.179 15.089 3.157 168 H PHE 22 HN PHE 22 -7.518 10.496 1.164 169 HA PHE 22 HA PHE 22 -7.667 9.168 3.713 170 HB2 PHE 22 HB2 PHE 22 -7.532 8.434 0.908 171 HB3 PHE 22 HB1 PHE 22 -6.429 7.482 1.863 172 HD1 PHE 22 HD2 PHE 22 -9.941 8.696 1.988 173 HD2 PHE 22 HD1 PHE 22 -7.219 5.517 2.754 174 HE1 PHE 22 HE2 PHE 22 -11.817 7.267 2.692 175 HE2 PHE 22 HE1 PHE 22 -9.090 4.081 3.459 176 HZ PHE 22 HZ PHE 22 -11.391 4.956 3.429 177 H THR 23 HN THR 23 -5.945 8.437 4.923 178 HA THR 23 HA THR 23 -3.377 9.692 4.350 179 HB THR 23 HB THR 23 -2.745 8.695 6.617 180 HG1 THR 23 HG1 THR 23 -4.280 7.733 7.788 181 HG21 THR 23 HG21 THR 23 -3.274 11.031 6.435 182 HG22 THR 23 HG22 THR 23 -4.062 10.395 7.876 183 HG23 THR 23 HG23 THR 23 -5.004 10.686 6.413 184 H VAL 24 HN VAL 24 -1.372 8.285 4.837 185 HA VAL 24 HA VAL 24 -1.396 6.073 3.064 186 HB VAL 24 HB VAL 24 0.718 6.696 5.132 187 HG11 VAL 24 HG11 VAL 24 2.225 5.546 3.578 188 HG12 VAL 24 HG12 VAL 24 0.861 5.196 2.517 189 HG13 VAL 24 HG13 VAL 24 0.931 4.483 4.128 190 HG21 VAL 24 HG21 VAL 24 0.563 7.668 2.284 191 HG22 VAL 24 HG22 VAL 24 1.818 8.040 3.464 192 HG23 VAL 24 HG23 VAL 24 0.179 8.646 3.700 193 H LYS 25 HN LYS 25 -1.689 6.406 6.531 194 HA LYS 25 HA LYS 25 -1.411 3.644 7.173 195 HB2 LYS 25 HB2 LYS 25 -1.286 5.831 8.658 196 HB3 LYS 25 HB1 LYS 25 -2.997 5.501 8.884 197 HG2 LYS 25 HG2 LYS 25 -2.479 3.295 9.759 198 HG3 LYS 25 HG1 LYS 25 -0.757 3.584 9.490 199 HD2 LYS 25 HD2 LYS 25 -0.812 5.443 11.067 200 HD3 LYS 25 HD1 LYS 25 -2.542 5.193 11.318 201 HE2 LYS 25 HE2 LYS 25 -2.082 2.951 12.193 202 HE3 LYS 25 HE1 LYS 25 -0.355 3.216 11.952 203 HZ1 LYS 25 HZ1 LYS 25 -2.109 4.791 13.760 204 HZ2 LYS 25 HZ2 LYS 25 -0.452 5.045 13.527 205 HZ3 LYS 25 HZ3 LYS 25 -0.994 3.612 14.243 206 H GLU 26 HN GLU 26 -4.101 5.733 6.325 207 HA GLU 26 HA GLU 26 -6.153 3.878 7.020 208 HB2 GLU 26 HB2 GLU 26 -6.132 6.523 6.468 209 HB3 GLU 26 HB1 GLU 26 -6.713 5.893 4.932 210 HG2 GLU 26 HG2 GLU 26 -8.649 5.035 5.869 211 HG3 GLU 26 HG1 GLU 26 -7.972 5.016 7.497 212 H LEU 27 HN LEU 27 -4.654 4.835 3.927 213 HA LEU 27 HA LEU 27 -6.096 3.090 2.284 214 HB2 LEU 27 HB2 LEU 27 -4.573 5.020 1.638 215 HB3 LEU 27 HB1 LEU 27 -3.232 3.916 1.865 216 HG LEU 27 HG LEU 27 -5.398 3.026 0.039 217 HD11 LEU 27 HD11 LEU 27 -5.210 5.325 -0.642 218 HD12 LEU 27 HD12 LEU 27 -4.407 4.300 -1.832 219 HD13 LEU 27 HD13 LEU 27 -3.450 5.215 -0.666 220 HD21 LEU 27 HD21 LEU 27 -3.458 1.617 0.448 221 HD22 LEU 27 HD22 LEU 27 -2.385 2.916 -0.074 222 HD23 LEU 27 HD23 LEU 27 -3.486 2.162 -1.229 223 H ALA 28 HN ALA 28 -3.210 2.600 4.239 224 HA ALA 28 HA ALA 28 -2.534 0.046 3.178 225 HB1 ALA 28 HB1 ALA 28 -0.887 -0.066 4.878 226 HB2 ALA 28 HB2 ALA 28 -1.732 1.126 5.865 227 HB3 ALA 28 HB3 ALA 28 -0.970 1.618 4.354 228 H GLU 29 HN GLU 29 -4.526 1.093 5.916 229 HA GLU 29 HA GLU 29 -4.772 -1.520 7.033 230 HB2 GLU 29 HB2 GLU 29 -6.223 -0.585 8.611 231 HB3 GLU 29 HB1 GLU 29 -5.129 0.729 8.213 232 HG2 GLU 29 HG2 GLU 29 -6.853 1.592 6.636 233 HG3 GLU 29 HG1 GLU 29 -7.950 0.352 7.244 234 H GLU 30 HN GLU 30 -6.408 0.164 4.483 235 HA GLU 30 HA GLU 30 -8.765 -1.461 4.483 236 HB2 GLU 30 HB2 GLU 30 -7.784 0.819 3.038 237 HB3 GLU 30 HB1 GLU 30 -8.368 -0.385 1.900 238 HG2 GLU 30 HG2 GLU 30 -10.468 -0.483 3.326 239 HG3 GLU 30 HG1 GLU 30 -9.883 0.995 4.090 240 H ILE 31 HN ILE 31 -5.800 -1.394 2.517 241 HA ILE 31 HA ILE 31 -6.523 -3.633 0.926 242 HB ILE 31 HB ILE 31 -4.871 -1.906 0.218 243 HG12 ILE 31 HG12 ILE 31 -3.115 -3.749 -0.541 244 HG13 ILE 31 HG11 ILE 31 -4.339 -4.838 0.110 245 HG21 ILE 31 HG21 ILE 31 -3.674 -1.811 2.415 246 HG22 ILE 31 HG22 ILE 31 -2.623 -1.914 1.003 247 HG23 ILE 31 HG23 ILE 31 -2.911 -3.344 1.994 248 HD11 ILE 31 HD11 ILE 31 -4.542 -4.446 -2.316 249 HD12 ILE 31 HD12 ILE 31 -4.861 -2.745 -1.982 250 HD13 ILE 31 HD13 ILE 31 -5.980 -3.979 -1.406 251 H ALA 32 HN ALA 32 -4.806 -3.295 3.967 252 HA ALA 32 HA ALA 32 -3.651 -5.885 4.014 253 HB1 ALA 32 HB1 ALA 32 -4.335 -4.166 6.383 254 HB2 ALA 32 HB2 ALA 32 -2.897 -3.949 5.383 255 HB3 ALA 32 HB3 ALA 32 -3.121 -5.441 6.297 256 H ARG 33 HN ARG 33 -6.743 -4.605 5.080 257 HA ARG 33 HA ARG 33 -7.570 -6.784 6.648 258 HB2 ARG 33 HB2 ARG 33 -8.574 -4.356 6.203 259 HB3 ARG 33 HB1 ARG 33 -9.603 -5.269 5.104 260 HG2 ARG 33 HG2 ARG 33 -10.306 -6.705 6.938 261 HG3 ARG 33 HG1 ARG 33 -9.252 -5.820 8.043 262 HD2 ARG 33 HD2 ARG 33 -10.526 -3.782 7.631 263 HD3 ARG 33 HD1 ARG 33 -11.570 -4.654 6.510 264 HE ARG 33 HE ARG 33 -11.617 -5.993 8.957 265 HH11 ARG 33 HH12 ARG 33 -12.620 -2.939 7.606 266 HH12 ARG 33 HH11 ARG 33 -13.943 -2.744 8.707 267 HH21 ARG 33 HH21 ARG 33 -13.348 -5.743 10.404 268 HH22 ARG 33 HH22 ARG 33 -14.356 -4.340 10.299 269 H ARG 34 HN ARG 34 -7.701 -6.244 3.179 270 HA ARG 34 HA ARG 34 -9.365 -8.589 2.770 271 HB2 ARG 34 HB2 ARG 34 -8.256 -6.469 0.964 272 HB3 ARG 34 HB1 ARG 34 -8.871 -7.970 0.286 273 HG2 ARG 34 HG2 ARG 34 -10.745 -6.668 0.181 274 HG3 ARG 34 HG1 ARG 34 -10.965 -7.412 1.766 275 HD2 ARG 34 HD2 ARG 34 -10.030 -5.448 2.841 276 HD3 ARG 34 HD1 ARG 34 -9.722 -4.710 1.271 277 HE ARG 34 HE ARG 34 -12.434 -5.268 1.371 278 HH11 ARG 34 HH12 ARG 34 -10.133 -3.318 3.111 279 HH12 ARG 34 HH11 ARG 34 -11.288 -2.103 3.545 280 HH21 ARG 34 HH22 ARG 34 -13.971 -3.659 1.927 281 HH22 ARG 34 HH21 ARG 34 -13.469 -2.297 2.870 282 H LEU 35 HN LEU 35 -6.088 -7.993 3.181 283 HA LEU 35 HA LEU 35 -5.286 -10.206 1.447 284 HB2 LEU 35 HB2 LEU 35 -3.925 -7.895 2.642 285 HB3 LEU 35 HB1 LEU 35 -2.986 -9.375 2.665 286 HG LEU 35 HG LEU 35 -2.517 -7.975 0.683 287 HD11 LEU 35 HD11 LEU 35 -3.897 -10.508 -0.160 288 HD12 LEU 35 HD12 LEU 35 -2.350 -10.495 0.685 289 HD13 LEU 35 HD13 LEU 35 -2.499 -9.728 -0.896 290 HD21 LEU 35 HD21 LEU 35 -4.141 -7.650 -1.041 291 HD22 LEU 35 HD22 LEU 35 -4.826 -7.062 0.472 292 HD23 LEU 35 HD23 LEU 35 -5.331 -8.620 -0.176 293 H GLY 36 HN GLY 36 -6.022 -9.562 4.724 294 HA2 GLY 36 HA2 GLY 36 -6.342 -11.222 6.351 295 HA3 GLY 36 HA1 GLY 36 -5.356 -12.316 5.398 296 H LEU 37 HN LEU 37 -3.510 -9.638 5.480 297 HA LEU 37 HA LEU 37 -2.291 -10.398 8.055 298 HB2 LEU 37 HB2 LEU 37 -0.091 -9.678 6.971 299 HB3 LEU 37 HB1 LEU 37 -0.763 -11.228 6.521 300 HG LEU 37 HG LEU 37 -1.470 -8.946 4.770 301 HD11 LEU 37 HD11 LEU 37 0.669 -9.070 3.584 302 HD12 LEU 37 HD12 LEU 37 1.302 -10.131 4.845 303 HD13 LEU 37 HD13 LEU 37 0.867 -8.465 5.229 304 HD21 LEU 37 HD21 LEU 37 -2.261 -11.146 4.214 305 HD22 LEU 37 HD22 LEU 37 -0.628 -11.807 4.329 306 HD23 LEU 37 HD23 LEU 37 -1.030 -10.675 3.040 307 H SER 38 HN SER 38 -0.841 -8.727 8.975 308 HA SER 38 HA SER 38 -2.269 -6.255 9.190 309 HB2 SER 38 HB2 SER 38 -1.064 -7.552 11.055 310 HB3 SER 38 HB1 SER 38 0.418 -6.846 10.415 311 HG SER 38 HG SER 38 -0.605 -5.642 12.148 312 HA PRO 39 HA PRO 39 -0.096 -3.698 6.283 313 HB2 PRO 39 HB2 PRO 39 -0.197 -1.529 8.281 314 HB3 PRO 39 HB1 PRO 39 -0.915 -1.606 6.667 315 HG2 PRO 39 HG2 PRO 39 -2.420 -1.762 8.876 316 HG3 PRO 39 HG1 PRO 39 -2.816 -2.659 7.399 317 HD2 PRO 39 HD2 PRO 39 -1.585 -3.638 9.927 318 HD3 PRO 39 HD1 PRO 39 -2.756 -4.430 8.854 319 H GLU 40 HN GLU 40 1.107 -4.207 9.481 320 HA GLU 40 HA GLU 40 3.464 -2.671 9.406 321 HB2 GLU 40 HB2 GLU 40 2.671 -5.141 10.925 322 HB3 GLU 40 HB1 GLU 40 4.249 -4.390 11.134 323 HG2 GLU 40 HG2 GLU 40 3.183 -2.318 11.838 324 HG3 GLU 40 HG1 GLU 40 1.595 -3.049 11.602 325 H ASP 41 HN ASP 41 2.639 -5.654 7.873 326 HA ASP 41 HA ASP 41 5.440 -6.294 7.302 327 HB2 ASP 41 HB2 ASP 41 2.872 -7.822 6.853 328 HB3 ASP 41 HB1 ASP 41 4.429 -8.364 6.239 329 H ILE 42 HN ILE 42 2.576 -5.034 5.793 330 HA ILE 42 HA ILE 42 3.684 -5.315 3.112 331 HB ILE 42 HB ILE 42 1.187 -3.776 3.572 332 HG12 ILE 42 HG12 ILE 42 1.210 -6.796 3.685 333 HG13 ILE 42 HG11 ILE 42 1.089 -5.777 5.114 334 HG21 ILE 42 HG21 ILE 42 2.026 -5.840 1.544 335 HG22 ILE 42 HG22 ILE 42 2.048 -4.090 1.328 336 HG23 ILE 42 HG23 ILE 42 0.512 -4.935 1.520 337 HD11 ILE 42 HD11 ILE 42 -1.000 -4.853 4.301 338 HD12 ILE 42 HD12 ILE 42 -1.086 -6.612 4.389 339 HD13 ILE 42 HD13 ILE 42 -0.873 -5.815 2.830 340 H LYS 43 HN LYS 43 4.720 -3.755 2.055 341 HA LYS 43 HA LYS 43 4.533 -1.017 3.111 342 HB2 LYS 43 HB2 LYS 43 6.810 -2.614 3.021 343 HB3 LYS 43 HB1 LYS 43 6.977 -1.534 1.646 344 HG2 LYS 43 HG2 LYS 43 6.779 0.393 3.060 345 HG3 LYS 43 HG1 LYS 43 6.418 -0.622 4.457 346 HD2 LYS 43 HD2 LYS 43 8.668 -1.667 4.184 347 HD3 LYS 43 HD1 LYS 43 9.011 -0.477 2.926 348 HE2 LYS 43 HE2 LYS 43 8.670 1.328 4.533 349 HE3 LYS 43 HE1 LYS 43 8.299 0.148 5.790 350 HZ1 LYS 43 HZ1 LYS 43 10.894 0.398 4.369 351 HZ2 LYS 43 HZ2 LYS 43 10.538 -0.730 5.577 352 HZ3 LYS 43 HZ3 LYS 43 10.578 0.920 5.947 353 H LEU 44 HN LEU 44 4.354 0.637 1.664 354 HA LEU 44 HA LEU 44 3.683 -0.163 -1.072 355 HB2 LEU 44 HB2 LEU 44 3.053 2.309 0.533 356 HB3 LEU 44 HB1 LEU 44 2.702 2.168 -1.179 357 HG LEU 44 HG LEU 44 1.456 -0.044 -0.323 358 HD11 LEU 44 HD11 LEU 44 1.285 1.875 1.997 359 HD12 LEU 44 HD12 LEU 44 2.045 0.283 2.012 360 HD13 LEU 44 HD13 LEU 44 0.303 0.426 1.784 361 HD21 LEU 44 HD21 LEU 44 -0.613 1.288 -0.304 362 HD22 LEU 44 HD22 LEU 44 0.442 1.705 -1.654 363 HD23 LEU 44 HD23 LEU 44 0.353 2.761 -0.244 364 H THR 45 HN THR 45 4.984 0.310 -2.718 365 HA THR 45 HA THR 45 7.119 2.291 -2.266 366 HB THR 45 HB THR 45 7.421 0.292 -4.438 367 HG1 THR 45 HG1 THR 45 6.939 -1.217 -2.967 368 HG21 THR 45 HG21 THR 45 9.137 1.972 -4.050 369 HG22 THR 45 HG22 THR 45 9.765 0.367 -3.673 370 HG23 THR 45 HG23 THR 45 9.289 1.456 -2.371 371 H HIS 46 HN HIS 46 7.141 4.034 -3.506 372 HA HIS 46 HA HIS 46 5.855 3.958 -6.139 373 HB2 HIS 46 HB2 HIS 46 4.403 4.979 -4.214 374 HB3 HIS 46 HB1 HIS 46 5.479 6.363 -4.384 375 HD1 HIS 46 HD1 HIS 46 5.036 7.940 -6.289 376 HD2 HIS 46 HD2 HIS 46 2.846 4.420 -6.581 377 HE1 HIS 46 HE1 HIS 46 3.449 8.292 -8.208 378 HE2 HIS 46 HE2 HIS 46 2.134 6.148 -8.371 379 H ASN 47 HN ASN 47 7.225 4.626 -7.631 380 HA ASN 47 HA ASN 47 8.905 5.685 -8.721 381 HB2 ASN 47 HB2 ASN 47 7.632 7.688 -7.592 382 HB3 ASN 47 HB1 ASN 47 9.086 7.797 -6.606 383 HD21 ASN 47 HD21 ASN 47 9.808 9.705 -7.389 384 HD22 ASN 47 HD22 ASN 47 10.354 9.937 -9.012 385 H GLY 48 HN GLY 48 9.463 3.737 -6.548 386 HA2 GLY 48 HA2 GLY 48 11.529 2.724 -6.058 387 HA3 GLY 48 HA1 GLY 48 12.331 4.250 -6.384 388 H LYS 49 HN LYS 49 10.197 5.521 -4.558 389 HA LYS 49 HA LYS 49 11.674 4.996 -2.078 390 HB2 LYS 49 HB2 LYS 49 10.027 7.340 -3.012 391 HB3 LYS 49 HB1 LYS 49 10.533 7.161 -1.338 392 HG2 LYS 49 HG2 LYS 49 12.870 7.159 -2.038 393 HG3 LYS 49 HG1 LYS 49 12.369 7.327 -3.720 394 HD2 LYS 49 HD2 LYS 49 11.326 9.475 -3.195 395 HD3 LYS 49 HD1 LYS 49 11.808 9.301 -1.507 396 HE2 LYS 49 HE2 LYS 49 13.432 10.706 -2.457 397 HE3 LYS 49 HE1 LYS 49 14.195 9.118 -2.378 398 HZ1 LYS 49 HZ1 LYS 49 13.693 8.786 -4.708 399 HZ2 LYS 49 HZ2 LYS 49 14.585 10.209 -4.505 400 HZ3 LYS 49 HZ3 LYS 49 12.920 10.290 -4.793 401 H THR 50 HN THR 50 10.579 4.740 -0.098 402 HA THR 50 HA THR 50 8.015 3.391 -0.397 403 HB THR 50 HB THR 50 8.431 2.843 2.084 404 HG1 THR 50 HG1 THR 50 10.095 4.440 2.374 405 HG21 THR 50 HG21 THR 50 10.006 1.034 1.495 406 HG22 THR 50 HG22 THR 50 10.321 1.831 -0.045 407 HG23 THR 50 HG23 THR 50 8.711 1.203 0.311 408 H LEU 51 HN LEU 51 6.209 3.856 0.882 409 HA LEU 51 HA LEU 51 6.013 6.679 1.633 410 HB2 LEU 51 HB2 LEU 51 3.926 4.561 1.142 411 HB3 LEU 51 HB1 LEU 51 3.549 6.184 1.689 412 HG LEU 51 HG LEU 51 5.115 5.792 -0.832 413 HD11 LEU 51 HD11 LEU 51 3.177 4.348 -1.075 414 HD12 LEU 51 HD12 LEU 51 3.025 5.777 -2.097 415 HD13 LEU 51 HD13 LEU 51 2.114 5.670 -0.590 416 HD21 LEU 51 HD21 LEU 51 4.212 7.920 -1.406 417 HD22 LEU 51 HD22 LEU 51 4.837 8.028 0.240 418 HD23 LEU 51 HD23 LEU 51 3.102 7.881 -0.037 419 H ASP 52 HN ASP 52 5.632 7.377 3.671 420 HA ASP 52 HA ASP 52 5.801 5.402 5.795 421 HB2 ASP 52 HB2 ASP 52 6.494 8.217 5.480 422 HB3 ASP 52 HB1 ASP 52 5.676 7.886 7.003 423 HA PRO 53 HA PRO 53 1.429 5.398 6.582 424 HB2 PRO 53 HB2 PRO 53 2.083 4.664 9.349 425 HB3 PRO 53 HB1 PRO 53 1.223 3.734 8.114 426 HG2 PRO 53 HG2 PRO 53 3.697 3.074 8.920 427 HG3 PRO 53 HG1 PRO 53 3.138 2.816 7.258 428 HD2 PRO 53 HD2 PRO 53 4.913 4.949 8.341 429 HD3 PRO 53 HD1 PRO 53 5.003 4.073 6.801 430 H SER 54 HN SER 54 3.650 7.230 8.557 431 HA SER 54 HA SER 54 1.621 8.508 10.139 432 HB2 SER 54 HB2 SER 54 4.539 9.186 9.750 433 HB3 SER 54 HB1 SER 54 3.480 9.915 10.957 434 HG SER 54 HG SER 54 3.395 7.203 11.039 435 H LEU 55 HN LEU 55 3.197 9.212 7.097 436 HA LEU 55 HA LEU 55 2.330 11.952 7.121 437 HB2 LEU 55 HB2 LEU 55 3.958 10.232 5.322 438 HB3 LEU 55 HB1 LEU 55 3.347 11.750 4.763 439 HG LEU 55 HG LEU 55 4.893 11.656 7.312 440 HD11 LEU 55 HD11 LEU 55 6.338 10.481 5.818 441 HD12 LEU 55 HD12 LEU 55 6.945 12.128 5.987 442 HD13 LEU 55 HD13 LEU 55 6.058 11.658 4.537 443 HD21 LEU 55 HD21 LEU 55 4.562 13.737 5.157 444 HD22 LEU 55 HD22 LEU 55 5.504 13.932 6.635 445 HD23 LEU 55 HD23 LEU 55 3.753 13.718 6.722 446 H THR 56 HN THR 56 1.639 12.513 4.651 447 HA THR 56 HA THR 56 -0.881 11.044 4.263 448 HB THR 56 HB THR 56 -1.723 13.138 3.185 449 HG1 THR 56 HG1 THR 56 -0.447 14.839 3.010 450 HG21 THR 56 HG21 THR 56 -2.356 12.732 5.456 451 HG22 THR 56 HG22 THR 56 -1.910 14.434 5.328 452 HG23 THR 56 HG23 THR 56 -0.786 13.279 6.048 453 H LEU 57 HN LEU 57 -1.683 10.812 2.095 454 HA LEU 57 HA LEU 57 0.347 9.996 0.262 455 HB2 LEU 57 HB2 LEU 57 -2.649 10.182 -0.010 456 HB3 LEU 57 HB1 LEU 57 -1.594 9.476 -1.221 457 HG LEU 57 HG LEU 57 -1.491 8.421 1.573 458 HD11 LEU 57 HD11 LEU 57 -3.585 7.659 -0.457 459 HD12 LEU 57 HD12 LEU 57 -3.872 8.509 1.063 460 HD13 LEU 57 HD13 LEU 57 -3.282 6.848 1.079 461 HD21 LEU 57 HD21 LEU 57 0.129 7.636 -0.070 462 HD22 LEU 57 HD22 LEU 57 -1.182 7.144 -1.142 463 HD23 LEU 57 HD23 LEU 57 -0.963 6.340 0.414 464 H ALA 58 HN ALA 58 -1.862 12.737 0.442 465 HA ALA 58 HA ALA 58 -1.346 13.724 -2.171 466 HB1 ALA 58 HB1 ALA 58 -2.425 15.194 0.225 467 HB2 ALA 58 HB2 ALA 58 -3.384 14.252 -0.917 468 HB3 ALA 58 HB3 ALA 58 -2.546 15.706 -1.458 469 H GLU 59 HN GLU 59 0.547 13.804 0.662 470 HA GLU 59 HA GLU 59 1.864 16.314 0.064 471 HB2 GLU 59 HB2 GLU 59 1.506 15.048 2.392 472 HB3 GLU 59 HB1 GLU 59 3.074 14.373 1.965 473 HG2 GLU 59 HG2 GLU 59 3.978 16.639 1.753 474 HG3 GLU 59 HG1 GLU 59 2.409 17.298 2.210 475 H TYR 60 HN TYR 60 2.209 12.996 -0.727 476 HA TYR 60 HA TYR 60 4.990 13.234 -1.503 477 HB2 TYR 60 HB2 TYR 60 2.992 11.034 -1.281 478 HB3 TYR 60 HB1 TYR 60 4.368 10.811 -2.342 479 HD1 TYR 60 HD1 TYR 60 6.645 10.692 -1.421 480 HD2 TYR 60 HD2 TYR 60 3.248 11.091 1.108 481 HE1 TYR 60 HE1 TYR 60 8.011 10.019 0.512 482 HE2 TYR 60 HE2 TYR 60 4.600 10.421 3.047 483 HH TYR 60 HH TYR 60 7.930 10.361 3.037 484 H GLY 61 HN GLY 61 1.871 13.561 -2.917 485 HA2 GLY 61 HA2 GLY 61 1.479 14.494 -5.041 486 HA3 GLY 61 HA1 GLY 61 3.114 14.057 -5.510 487 H ILE 62 HN ILE 62 0.481 12.051 -4.185 488 HA ILE 62 HA ILE 62 0.771 10.320 -6.548 489 HB ILE 62 HB ILE 62 -0.593 9.519 -3.988 490 HG12 ILE 62 HG12 ILE 62 2.149 8.533 -4.490 491 HG13 ILE 62 HG11 ILE 62 2.029 10.223 -4.008 492 HG21 ILE 62 HG21 ILE 62 -0.132 7.256 -4.778 493 HG22 ILE 62 HG22 ILE 62 0.673 7.913 -6.203 494 HG23 ILE 62 HG23 ILE 62 -1.056 8.170 -5.971 495 HD11 ILE 62 HD11 ILE 62 0.730 9.517 -2.032 496 HD12 ILE 62 HD12 ILE 62 2.365 8.861 -2.067 497 HD13 ILE 62 HD13 ILE 62 0.996 7.837 -2.498 498 H THR 63 HN THR 63 -0.958 9.782 -7.799 499 HA THR 63 HA THR 63 -3.553 10.987 -7.096 500 HB THR 63 HB THR 63 -3.901 11.196 -9.625 501 HG1 THR 63 HG1 THR 63 -1.111 11.356 -9.843 502 HG21 THR 63 HG21 THR 63 -2.721 13.349 -9.729 503 HG22 THR 63 HG22 THR 63 -1.787 12.904 -8.300 504 HG23 THR 63 HG23 THR 63 -3.531 13.135 -8.177 505 HA PRO 64 HA PRO 64 -5.352 7.008 -7.787 506 HB2 PRO 64 HB2 PRO 64 -7.722 8.143 -9.039 507 HB3 PRO 64 HB1 PRO 64 -7.550 7.421 -7.435 508 HG2 PRO 64 HG2 PRO 64 -7.994 10.069 -7.815 509 HG3 PRO 64 HG1 PRO 64 -7.120 9.414 -6.418 510 HD2 PRO 64 HD2 PRO 64 -6.045 10.711 -8.879 511 HD3 PRO 64 HD1 PRO 64 -5.496 10.845 -7.194 512 H GLY 65 HN GLY 65 -5.304 5.460 -9.311 513 HA2 GLY 65 HA2 GLY 65 -5.722 4.594 -11.496 514 HA3 GLY 65 HA1 GLY 65 -5.585 6.228 -12.134 515 H SER 66 HN SER 66 -3.223 5.422 -9.836 516 HA SER 66 HA SER 66 -1.211 5.224 -11.956 517 HB2 SER 66 HB2 SER 66 -1.001 7.006 -10.192 518 HB3 SER 66 HB1 SER 66 -0.777 5.726 -9.002 519 HG SER 66 HG SER 66 0.852 5.723 -11.272 520 H THR 67 HN THR 67 0.739 3.841 -11.345 521 HA THR 67 HA THR 67 -0.240 1.197 -10.578 522 HB THR 67 HB THR 67 2.073 0.477 -11.423 523 HG1 THR 67 HG1 THR 67 2.046 3.005 -12.712 524 HG21 THR 67 HG21 THR 67 0.002 0.192 -12.717 525 HG22 THR 67 HG22 THR 67 1.373 0.571 -13.760 526 HG23 THR 67 HG23 THR 67 0.190 1.819 -13.370 527 H ILE 68 HN ILE 68 0.158 0.391 -8.614 528 HA ILE 68 HA ILE 68 2.480 1.434 -7.119 529 HB ILE 68 HB ILE 68 -0.088 0.565 -5.800 530 HG12 ILE 68 HG12 ILE 68 0.114 3.308 -5.459 531 HG13 ILE 68 HG11 ILE 68 0.554 3.078 -7.148 532 HG21 ILE 68 HG21 ILE 68 0.837 1.792 -3.877 533 HG22 ILE 68 HG22 ILE 68 2.292 2.132 -4.813 534 HG23 ILE 68 HG23 ILE 68 1.884 0.469 -4.391 535 HD11 ILE 68 HD11 ILE 68 -1.974 2.066 -5.863 536 HD12 ILE 68 HD12 ILE 68 -1.541 1.950 -7.569 537 HD13 ILE 68 HD13 ILE 68 -1.835 3.529 -6.839 538 H THR 69 HN THR 69 3.827 -0.053 -6.284 539 HA THR 69 HA THR 69 3.028 -2.869 -6.481 540 HB THR 69 HB THR 69 5.703 -3.021 -6.331 541 HG1 THR 69 HG1 THR 69 5.104 -0.513 -7.522 542 HG21 THR 69 HG21 THR 69 4.102 -2.497 -8.834 543 HG22 THR 69 HG22 THR 69 4.351 -4.063 -8.062 544 HG23 THR 69 HG23 THR 69 5.711 -3.217 -8.796 545 H LEU 70 HN LEU 70 2.876 -3.973 -4.653 546 HA LEU 70 HA LEU 70 3.845 -2.747 -2.183 547 HB2 LEU 70 HB2 LEU 70 2.414 -4.300 -1.024 548 HB3 LEU 70 HB1 LEU 70 1.509 -3.513 -2.300 549 HG LEU 70 HG LEU 70 2.415 -5.798 -3.537 550 HD11 LEU 70 HD11 LEU 70 1.798 -7.629 -2.008 551 HD12 LEU 70 HD12 LEU 70 1.654 -6.463 -0.692 552 HD13 LEU 70 HD13 LEU 70 3.219 -6.742 -1.456 553 HD21 LEU 70 HD21 LEU 70 0.007 -6.577 -3.018 554 HD22 LEU 70 HD22 LEU 70 0.245 -5.096 -3.944 555 HD23 LEU 70 HD23 LEU 70 -0.157 -5.009 -2.229 556 H GLU 71 HN GLU 71 4.861 -4.120 -0.542 557 HA GLU 71 HA GLU 71 6.319 -6.431 -1.576 558 HB2 GLU 71 HB2 GLU 71 8.440 -5.553 -0.573 559 HB3 GLU 71 HB1 GLU 71 7.878 -4.653 -1.974 560 HG2 GLU 71 HG2 GLU 71 7.102 -2.865 -0.620 561 HG3 GLU 71 HG1 GLU 71 7.332 -3.803 0.854 562 H ILE 72 HN ILE 72 7.139 -7.829 0.071 563 HA ILE 72 HA ILE 72 6.022 -7.344 2.757 564 HB ILE 72 HB ILE 72 6.171 -10.075 1.482 565 HG12 ILE 72 HG12 ILE 72 3.496 -9.515 1.644 566 HG13 ILE 72 HG11 ILE 72 4.154 -7.954 1.165 567 HG21 ILE 72 HG21 ILE 72 4.686 -9.048 3.896 568 HG22 ILE 72 HG22 ILE 72 6.136 -10.052 3.914 569 HG23 ILE 72 HG23 ILE 72 4.624 -10.697 3.275 570 HD11 ILE 72 HD11 ILE 72 3.461 -9.300 -0.751 571 HD12 ILE 72 HD12 ILE 72 4.611 -10.553 -0.281 572 HD13 ILE 72 HD13 ILE 72 5.193 -8.963 -0.774 573 H LYS 73 HN LYS 73 7.353 -7.771 4.451 574 HA LYS 73 HA LYS 73 9.931 -9.058 3.848 575 HB2 LYS 73 HB2 LYS 73 9.401 -6.553 5.430 576 HB3 LYS 73 HB1 LYS 73 10.871 -7.493 5.653 577 HG2 LYS 73 HG2 LYS 73 11.435 -7.187 3.301 578 HG3 LYS 73 HG1 LYS 73 9.956 -6.253 3.065 579 HD2 LYS 73 HD2 LYS 73 10.759 -4.608 4.711 580 HD3 LYS 73 HD1 LYS 73 12.253 -5.532 4.887 581 HE2 LYS 73 HE2 LYS 73 11.300 -4.459 2.244 582 HE3 LYS 73 HE1 LYS 73 12.335 -3.532 3.330 583 HZ1 LYS 73 HZ1 LYS 73 12.983 -6.178 2.151 584 HZ2 LYS 73 HZ2 LYS 73 13.974 -5.310 3.210 585 HZ3 LYS 73 HZ3 LYS 73 13.637 -4.694 1.672 586 H LYS 74 HN LYS 74 10.882 -10.262 5.504 587 HA LYS 74 HA LYS 74 9.143 -10.852 7.803 588 HB2 LYS 74 HB2 LYS 74 10.553 -12.770 5.960 589 HB3 LYS 74 HB1 LYS 74 10.081 -13.238 7.586 590 HG2 LYS 74 HG2 LYS 74 7.746 -12.728 7.048 591 HG3 LYS 74 HG1 LYS 74 8.230 -12.287 5.409 592 HD2 LYS 74 HD2 LYS 74 9.070 -14.567 5.059 593 HD3 LYS 74 HD1 LYS 74 8.557 -15.002 6.691 594 HE2 LYS 74 HE2 LYS 74 6.239 -14.495 6.092 595 HE3 LYS 74 HE1 LYS 74 6.753 -14.064 4.463 596 HZ1 LYS 74 HZ1 LYS 74 5.876 -16.309 4.546 597 HZ2 LYS 74 HZ2 LYS 74 7.021 -16.746 5.709 598 HZ3 LYS 74 HZ3 LYS 74 7.519 -16.337 4.147 599 H LYS 75 HN LYS 75 10.227 -11.594 9.705 600 HA LYS 75 HA LYS 75 12.961 -10.562 9.892 601 HB2 LYS 75 HB2 LYS 75 10.826 -11.116 11.941 602 HB3 LYS 75 HB1 LYS 75 12.495 -10.815 12.403 603 HG2 LYS 75 HG2 LYS 75 12.402 -8.626 11.326 604 HG3 LYS 75 HG1 LYS 75 10.728 -8.927 10.857 605 HD2 LYS 75 HD2 LYS 75 10.112 -9.118 13.226 606 HD3 LYS 75 HD1 LYS 75 11.785 -8.786 13.681 607 HE2 LYS 75 HE2 LYS 75 11.642 -6.592 12.612 608 HE3 LYS 75 HE1 LYS 75 9.976 -6.925 12.144 609 HZ1 LYS 75 HZ1 LYS 75 10.079 -5.564 14.133 610 HZ2 LYS 75 HZ2 LYS 75 10.984 -6.748 14.932 611 HZ3 LYS 75 HZ3 LYS 75 9.386 -7.067 14.483 612 H GLY 76 HN GLY 76 14.677 -11.834 10.292 613 HA2 GLY 76 HA2 GLY 76 15.088 -14.012 11.747 614 HA3 GLY 76 HA1 GLY 76 14.221 -14.716 10.390 615 H GLY 77 HN GLY 77 17.178 -13.181 11.441 616 HA2 GLY 77 HA2 GLY 77 18.886 -14.597 9.816 617 HA3 GLY 77 HA1 GLY 77 18.439 -13.183 8.872 618 H LEU 78 HN LEU 78 19.720 -14.141 12.039 619 HA LEU 78 HA LEU 78 21.328 -11.670 12.028 620 HB2 LEU 78 HB2 LEU 78 20.096 -13.143 14.358 621 HB3 LEU 78 HB1 LEU 78 21.309 -11.887 14.540 622 HG LEU 78 HG LEU 78 18.828 -11.255 13.005 623 HD11 LEU 78 HD11 LEU 78 17.972 -12.349 14.991 624 HD12 LEU 78 HD12 LEU 78 17.693 -10.610 15.079 625 HD13 LEU 78 HD13 LEU 78 18.998 -11.342 16.012 626 HD21 LEU 78 HD21 LEU 78 20.594 -9.677 14.871 627 HD22 LEU 78 HD22 LEU 78 19.217 -9.043 13.970 628 HD23 LEU 78 HD23 LEU 78 20.640 -9.631 13.109 629 H GLU 79 HN GLU 79 21.200 -15.066 13.040 630 HA GLU 79 HA GLU 79 24.132 -15.089 13.234 631 HB2 GLU 79 HB2 GLU 79 22.006 -16.908 14.359 632 HB3 GLU 79 HB1 GLU 79 23.704 -17.361 14.333 633 HG2 GLU 79 HG2 GLU 79 24.257 -15.415 15.689 634 HG3 GLU 79 HG1 GLU 79 22.561 -14.933 15.699 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -9.773 11.085 -11.161 2 H2 MET 1 HT2 MET 1 -11.449 10.892 -11.295 3 H3 MET 1 HT3 MET 1 -10.458 10.630 -12.641 4 HA MET 1 HA MET 1 -11.211 8.549 -11.675 5 HB2 MET 1 HB2 MET 1 -8.282 9.245 -11.556 6 HB3 MET 1 HB1 MET 1 -8.846 7.617 -11.214 7 HG2 MET 1 HG2 MET 1 -8.198 7.639 -13.476 8 HG3 MET 1 HG1 MET 1 -9.960 7.638 -13.466 9 HE1 MET 1 HE1 MET 1 -10.001 8.316 -15.967 10 HE2 MET 1 HE2 MET 1 -8.246 8.429 -16.094 11 HE3 MET 1 HE3 MET 1 -9.257 9.767 -16.638 12 H ASP 2 HN ASP 2 -11.277 7.118 -9.926 13 HA ASP 2 HA ASP 2 -10.507 8.214 -7.312 14 HB2 ASP 2 HB2 ASP 2 -13.207 7.125 -8.108 15 HB3 ASP 2 HB1 ASP 2 -12.693 7.234 -6.427 16 H THR 3 HN THR 3 -10.241 5.727 -9.453 17 HA THR 3 HA THR 3 -9.916 3.702 -7.342 18 HB THR 3 HB THR 3 -9.922 2.059 -9.298 19 HG1 THR 3 HG1 THR 3 -11.435 3.783 -10.813 20 HG21 THR 3 HG21 THR 3 -11.819 2.306 -7.775 21 HG22 THR 3 HG22 THR 3 -12.375 2.036 -9.428 22 HG23 THR 3 HG23 THR 3 -12.424 3.656 -8.734 23 H ILE 4 HN ILE 4 -8.064 2.404 -7.311 24 HA ILE 4 HA ILE 4 -5.806 3.309 -8.967 25 HB ILE 4 HB ILE 4 -4.357 2.920 -6.885 26 HG12 ILE 4 HG12 ILE 4 -6.762 3.703 -5.296 27 HG13 ILE 4 HG11 ILE 4 -6.564 2.004 -5.706 28 HG21 ILE 4 HG21 ILE 4 -6.220 5.286 -7.043 29 HG22 ILE 4 HG22 ILE 4 -4.668 5.107 -7.860 30 HG23 ILE 4 HG23 ILE 4 -4.729 5.235 -6.103 31 HD11 ILE 4 HD11 ILE 4 -4.388 1.988 -4.617 32 HD12 ILE 4 HD12 ILE 4 -5.657 2.512 -3.509 33 HD13 ILE 4 HD13 ILE 4 -4.567 3.699 -4.225 34 H ASN 5 HN ASN 5 -4.088 1.749 -9.193 35 HA ASN 5 HA ASN 5 -5.058 -0.993 -8.995 36 HB2 ASN 5 HB2 ASN 5 -3.096 0.447 -10.726 37 HB3 ASN 5 HB1 ASN 5 -3.035 -1.285 -10.584 38 HD21 ASN 5 HD21 ASN 5 -3.561 0.297 -12.880 39 HD22 ASN 5 HD22 ASN 5 -5.109 -0.178 -13.442 40 H ILE 6 HN ILE 6 -3.644 -2.648 -8.303 41 HA ILE 6 HA ILE 6 -1.281 -1.818 -6.766 42 HB ILE 6 HB ILE 6 -3.379 -3.722 -5.699 43 HG12 ILE 6 HG12 ILE 6 -3.149 -1.675 -3.879 44 HG13 ILE 6 HG11 ILE 6 -3.026 -0.823 -5.415 45 HG21 ILE 6 HG21 ILE 6 -2.067 -3.722 -3.651 46 HG22 ILE 6 HG22 ILE 6 -0.875 -2.664 -4.406 47 HG23 ILE 6 HG23 ILE 6 -1.112 -4.303 -5.014 48 HD11 ILE 6 HD11 ILE 6 -5.264 -2.662 -4.600 49 HD12 ILE 6 HD12 ILE 6 -5.146 -1.782 -6.124 50 HD13 ILE 6 HD13 ILE 6 -5.319 -0.899 -4.609 51 H THR 7 HN THR 7 0.420 -2.966 -7.423 52 HA THR 7 HA THR 7 -0.038 -5.523 -8.777 53 HB THR 7 HB THR 7 2.659 -4.238 -8.670 54 HG1 THR 7 HG1 THR 7 1.348 -3.401 -10.850 55 HG21 THR 7 HG21 THR 7 1.159 -5.751 -10.809 56 HG22 THR 7 HG22 THR 7 2.384 -6.425 -9.735 57 HG23 THR 7 HG23 THR 7 2.830 -5.196 -10.917 58 H LEU 8 HN LEU 8 0.332 -7.371 -7.757 59 HA LEU 8 HA LEU 8 1.841 -7.353 -5.262 60 HB2 LEU 8 HB2 LEU 8 -0.508 -8.595 -6.170 61 HB3 LEU 8 HB1 LEU 8 0.668 -9.863 -6.014 62 HG LEU 8 HG LEU 8 1.057 -8.720 -3.643 63 HD11 LEU 8 HD11 LEU 8 -0.516 -6.913 -3.995 64 HD12 LEU 8 HD12 LEU 8 -1.087 -7.975 -2.710 65 HD13 LEU 8 HD13 LEU 8 -1.809 -8.069 -4.316 66 HD21 LEU 8 HD21 LEU 8 -1.202 -10.596 -4.319 67 HD22 LEU 8 HD22 LEU 8 -0.529 -10.346 -2.708 68 HD23 LEU 8 HD23 LEU 8 0.471 -11.043 -3.982 69 HA PRO 9 HA PRO 9 5.258 -9.604 -7.018 70 HB2 PRO 9 HB2 PRO 9 5.330 -11.473 -4.762 71 HB3 PRO 9 HB1 PRO 9 6.498 -10.227 -5.216 72 HG2 PRO 9 HG2 PRO 9 4.955 -9.996 -3.026 73 HG3 PRO 9 HG1 PRO 9 5.469 -8.595 -3.986 74 HD2 PRO 9 HD2 PRO 9 2.832 -10.001 -3.964 75 HD3 PRO 9 HD1 PRO 9 3.189 -8.262 -4.050 76 H ASP 10 HN ASP 10 2.253 -10.976 -6.576 77 HA ASP 10 HA ASP 10 2.994 -13.658 -7.444 78 HB2 ASP 10 HB2 ASP 10 0.395 -12.376 -6.625 79 HB3 ASP 10 HB1 ASP 10 0.443 -13.975 -7.361 80 H GLY 11 HN GLY 11 2.001 -10.670 -8.781 81 HA2 GLY 11 HA2 GLY 11 2.217 -10.264 -11.124 82 HA3 GLY 11 HA1 GLY 11 1.811 -11.945 -11.419 83 H LYS 12 HN LYS 12 -0.270 -10.721 -9.101 84 HA LYS 12 HA LYS 12 -2.318 -10.261 -11.159 85 HB2 LYS 12 HB2 LYS 12 -3.951 -10.758 -9.309 86 HB3 LYS 12 HB1 LYS 12 -2.934 -12.106 -9.788 87 HG2 LYS 12 HG2 LYS 12 -1.494 -11.704 -7.846 88 HG3 LYS 12 HG1 LYS 12 -2.541 -10.367 -7.360 89 HD2 LYS 12 HD2 LYS 12 -4.434 -11.953 -7.209 90 HD3 LYS 12 HD1 LYS 12 -3.326 -13.272 -7.599 91 HE2 LYS 12 HE2 LYS 12 -2.011 -12.729 -5.589 92 HE3 LYS 12 HE1 LYS 12 -3.167 -11.458 -5.195 93 HZ1 LYS 12 HZ1 LYS 12 -3.620 -13.484 -3.958 94 HZ2 LYS 12 HZ2 LYS 12 -3.793 -14.355 -5.399 95 HZ3 LYS 12 HZ3 LYS 12 -4.897 -13.134 -5.013 96 H THR 13 HN THR 13 -3.708 -8.520 -11.043 97 HA THR 13 HA THR 13 -2.733 -6.291 -9.401 98 HB THR 13 HB THR 13 -4.102 -4.899 -11.067 99 HG1 THR 13 HG1 THR 13 -4.291 -6.064 -13.135 100 HG21 THR 13 HG21 THR 13 -1.707 -6.456 -12.056 101 HG22 THR 13 HG22 THR 13 -1.652 -4.992 -11.073 102 HG23 THR 13 HG23 THR 13 -2.286 -4.927 -12.717 103 H LEU 14 HN LEU 14 -4.209 -4.885 -8.382 104 HA LEU 14 HA LEU 14 -6.936 -5.921 -8.008 105 HB2 LEU 14 HB2 LEU 14 -5.149 -6.398 -6.129 106 HB3 LEU 14 HB1 LEU 14 -5.454 -4.725 -5.705 107 HG LEU 14 HG LEU 14 -7.865 -6.401 -6.013 108 HD11 LEU 14 HD11 LEU 14 -7.593 -7.425 -3.799 109 HD12 LEU 14 HD12 LEU 14 -5.938 -6.820 -3.733 110 HD13 LEU 14 HD13 LEU 14 -6.391 -8.012 -4.951 111 HD21 LEU 14 HD21 LEU 14 -6.922 -4.462 -3.900 112 HD22 LEU 14 HD22 LEU 14 -8.535 -5.167 -4.013 113 HD23 LEU 14 HD23 LEU 14 -7.960 -4.074 -5.271 114 H THR 15 HN THR 15 -8.510 -4.346 -7.505 115 HA THR 15 HA THR 15 -7.648 -1.572 -8.002 116 HB THR 15 HB THR 15 -10.472 -2.460 -8.451 117 HG1 THR 15 HG1 THR 15 -8.240 -2.901 -10.151 118 HG21 THR 15 HG21 THR 15 -9.973 -0.080 -8.542 119 HG22 THR 15 HG22 THR 15 -10.387 -0.674 -10.150 120 HG23 THR 15 HG23 THR 15 -8.700 -0.373 -9.726 121 H LEU 16 HN LEU 16 -7.966 -0.141 -6.425 122 HA LEU 16 HA LEU 16 -9.957 -0.773 -4.345 123 HB2 LEU 16 HB2 LEU 16 -7.503 -1.086 -3.701 124 HB3 LEU 16 HB1 LEU 16 -7.366 0.658 -3.800 125 HG LEU 16 HG LEU 16 -9.382 0.619 -2.113 126 HD11 LEU 16 HD11 LEU 16 -8.095 -2.067 -1.635 127 HD12 LEU 16 HD12 LEU 16 -9.740 -1.793 -2.213 128 HD13 LEU 16 HD13 LEU 16 -9.281 -1.286 -0.587 129 HD21 LEU 16 HD21 LEU 16 -7.186 1.556 -1.647 130 HD22 LEU 16 HD22 LEU 16 -6.548 -0.058 -1.328 131 HD23 LEU 16 HD23 LEU 16 -7.772 0.633 -0.262 132 H THR 17 HN THR 17 -11.053 0.984 -3.414 133 HA THR 17 HA THR 17 -10.917 3.458 -5.002 134 HB THR 17 HB THR 17 -13.263 2.865 -3.252 135 HG1 THR 17 HG1 THR 17 -13.575 1.053 -4.312 136 HG21 THR 17 HG21 THR 17 -12.975 4.125 -5.984 137 HG22 THR 17 HG22 THR 17 -13.110 4.996 -4.458 138 HG23 THR 17 HG23 THR 17 -14.463 4.029 -5.043 139 H VAL 18 HN VAL 18 -9.997 5.141 -4.030 140 HA VAL 18 HA VAL 18 -10.451 5.555 -1.160 141 HB VAL 18 HB VAL 18 -8.013 6.384 -1.032 142 HG11 VAL 18 HG11 VAL 18 -7.192 4.158 -0.441 143 HG12 VAL 18 HG12 VAL 18 -8.575 3.432 -1.259 144 HG13 VAL 18 HG13 VAL 18 -8.822 4.433 0.173 145 HG21 VAL 18 HG21 VAL 18 -7.432 6.346 -3.352 146 HG22 VAL 18 HG22 VAL 18 -7.867 4.642 -3.486 147 HG23 VAL 18 HG23 VAL 18 -6.465 5.123 -2.529 148 H THR 19 HN THR 19 -9.359 7.796 -0.572 149 HA THR 19 HA THR 19 -9.892 9.720 -2.735 150 HB THR 19 HB THR 19 -10.878 11.246 -0.927 151 HG1 THR 19 HG1 THR 19 -10.898 10.421 1.009 152 HG21 THR 19 HG21 THR 19 -12.262 10.263 -2.668 153 HG22 THR 19 HG22 THR 19 -13.127 10.263 -1.132 154 HG23 THR 19 HG23 THR 19 -12.409 8.770 -1.740 155 HA PRO 20 HA PRO 20 -6.195 11.800 -1.506 156 HB2 PRO 20 HB2 PRO 20 -7.625 14.379 -1.321 157 HB3 PRO 20 HB1 PRO 20 -6.299 13.903 -2.390 158 HG2 PRO 20 HG2 PRO 20 -8.765 14.208 -3.343 159 HG3 PRO 20 HG1 PRO 20 -7.698 12.917 -3.937 160 HD2 PRO 20 HD2 PRO 20 -9.966 12.745 -1.999 161 HD3 PRO 20 HD1 PRO 20 -9.525 11.645 -3.322 162 H GLU 21 HN GLU 21 -8.985 12.051 0.505 163 HA GLU 21 HA GLU 21 -7.620 13.415 2.660 164 HB2 GLU 21 HB2 GLU 21 -10.228 13.283 1.900 165 HB3 GLU 21 HB1 GLU 21 -10.194 12.098 3.194 166 HG2 GLU 21 HG2 GLU 21 -8.928 14.723 3.715 167 HG3 GLU 21 HG1 GLU 21 -10.685 14.673 3.613 168 H PHE 22 HN PHE 22 -7.822 10.264 1.507 169 HA PHE 22 HA PHE 22 -7.775 8.860 3.985 170 HB2 PHE 22 HB2 PHE 22 -7.664 8.248 1.125 171 HB3 PHE 22 HB1 PHE 22 -6.672 7.200 2.096 172 HD1 PHE 22 HD1 PHE 22 -10.085 8.665 2.151 173 HD2 PHE 22 HD2 PHE 22 -7.635 5.264 2.874 174 HE1 PHE 22 HE1 PHE 22 -12.082 7.362 2.748 175 HE2 PHE 22 HE2 PHE 22 -9.630 3.952 3.474 176 HZ PHE 22 HZ PHE 22 -11.856 5.001 3.409 177 H THR 23 HN THR 23 -6.037 8.241 5.166 178 HA THR 23 HA THR 23 -3.475 9.434 4.487 179 HB THR 23 HB THR 23 -2.786 8.473 6.739 180 HG1 THR 23 HG1 THR 23 -5.589 8.086 7.065 181 HG21 THR 23 HG21 THR 23 -5.095 10.412 6.598 182 HG22 THR 23 HG22 THR 23 -3.376 10.801 6.558 183 HG23 THR 23 HG23 THR 23 -4.099 10.152 8.029 184 H VAL 24 HN VAL 24 -1.481 7.991 5.012 185 HA VAL 24 HA VAL 24 -1.521 5.788 3.226 186 HB VAL 24 HB VAL 24 0.589 6.396 5.304 187 HG11 VAL 24 HG11 VAL 24 0.827 4.972 2.653 188 HG12 VAL 24 HG12 VAL 24 0.719 4.168 4.219 189 HG13 VAL 24 HG13 VAL 24 2.099 5.202 3.852 190 HG21 VAL 24 HG21 VAL 24 1.721 7.668 3.532 191 HG22 VAL 24 HG22 VAL 24 0.165 8.375 3.963 192 HG23 VAL 24 HG23 VAL 24 0.322 7.430 2.482 193 H LYS 25 HN LYS 25 -1.839 6.120 6.694 194 HA LYS 25 HA LYS 25 -1.567 3.361 7.338 195 HB2 LYS 25 HB2 LYS 25 -1.506 5.558 8.831 196 HB3 LYS 25 HB1 LYS 25 -3.211 5.177 9.035 197 HG2 LYS 25 HG2 LYS 25 -2.637 2.979 9.895 198 HG3 LYS 25 HG1 LYS 25 -0.924 3.321 9.654 199 HD2 LYS 25 HD2 LYS 25 -1.064 5.168 11.249 200 HD3 LYS 25 HD1 LYS 25 -2.782 4.843 11.481 201 HE2 LYS 25 HE2 LYS 25 -2.239 2.614 12.335 202 HE3 LYS 25 HE1 LYS 25 -0.523 2.942 12.102 203 HZ1 LYS 25 HZ1 LYS 25 -1.179 3.283 14.396 204 HZ2 LYS 25 HZ2 LYS 25 -2.337 4.424 13.928 205 HZ3 LYS 25 HZ3 LYS 25 -0.693 4.748 13.701 206 H GLU 26 HN GLU 26 -4.261 5.440 6.460 207 HA GLU 26 HA GLU 26 -6.317 3.570 7.095 208 HB2 GLU 26 HB2 GLU 26 -6.304 6.211 6.565 209 HB3 GLU 26 HB1 GLU 26 -6.812 5.601 4.996 210 HG2 GLU 26 HG2 GLU 26 -8.800 4.778 5.809 211 HG3 GLU 26 HG1 GLU 26 -8.191 4.634 7.457 212 H LEU 27 HN LEU 27 -4.784 4.557 4.023 213 HA LEU 27 HA LEU 27 -6.184 2.814 2.349 214 HB2 LEU 27 HB2 LEU 27 -4.689 4.741 1.695 215 HB3 LEU 27 HB1 LEU 27 -3.324 3.681 1.983 216 HG LEU 27 HG LEU 27 -5.397 2.659 0.127 217 HD11 LEU 27 HD11 LEU 27 -3.511 4.865 -0.682 218 HD12 LEU 27 HD12 LEU 27 -5.259 5.021 -0.522 219 HD13 LEU 27 HD13 LEU 27 -4.577 3.953 -1.749 220 HD21 LEU 27 HD21 LEU 27 -3.404 1.895 -1.092 221 HD22 LEU 27 HD22 LEU 27 -3.402 1.363 0.588 222 HD23 LEU 27 HD23 LEU 27 -2.380 2.712 0.091 223 H ALA 28 HN ALA 28 -3.212 2.321 4.214 224 HA ALA 28 HA ALA 28 -2.645 -0.273 3.190 225 HB1 ALA 28 HB1 ALA 28 -1.037 -0.437 5.015 226 HB2 ALA 28 HB2 ALA 28 -1.744 0.989 5.775 227 HB3 ALA 28 HB3 ALA 28 -0.925 1.135 4.221 228 H GLU 29 HN GLU 29 -4.629 0.935 5.812 229 HA GLU 29 HA GLU 29 -4.994 -1.497 7.189 230 HB2 GLU 29 HB2 GLU 29 -5.858 1.243 7.292 231 HB3 GLU 29 HB1 GLU 29 -7.210 0.172 7.577 232 HG2 GLU 29 HG2 GLU 29 -5.907 -0.942 9.349 233 HG3 GLU 29 HG1 GLU 29 -4.609 0.217 9.064 234 H GLU 30 HN GLU 30 -6.446 -0.080 4.368 235 HA GLU 30 HA GLU 30 -8.834 -1.649 4.368 236 HB2 GLU 30 HB2 GLU 30 -7.608 0.390 2.696 237 HB3 GLU 30 HB1 GLU 30 -8.338 -0.886 1.734 238 HG2 GLU 30 HG2 GLU 30 -10.453 -0.552 2.956 239 HG3 GLU 30 HG1 GLU 30 -9.708 0.791 3.824 240 H ILE 31 HN ILE 31 -5.768 -1.824 2.558 241 HA ILE 31 HA ILE 31 -6.446 -4.206 1.166 242 HB ILE 31 HB ILE 31 -4.744 -2.539 0.389 243 HG12 ILE 31 HG12 ILE 31 -3.008 -4.486 -0.168 244 HG13 ILE 31 HG11 ILE 31 -4.308 -5.482 0.482 245 HG21 ILE 31 HG21 ILE 31 -3.594 -2.283 2.578 246 HG22 ILE 31 HG22 ILE 31 -2.501 -2.586 1.228 247 HG23 ILE 31 HG23 ILE 31 -2.899 -3.888 2.351 248 HD11 ILE 31 HD11 ILE 31 -5.845 -4.593 -1.155 249 HD12 ILE 31 HD12 ILE 31 -4.420 -5.264 -1.950 250 HD13 ILE 31 HD13 ILE 31 -4.591 -3.517 -1.777 251 H ALA 32 HN ALA 32 -4.851 -3.575 4.228 252 HA ALA 32 HA ALA 32 -3.766 -6.173 4.605 253 HB1 ALA 32 HB1 ALA 32 -3.412 -5.496 6.911 254 HB2 ALA 32 HB2 ALA 32 -4.469 -4.105 6.680 255 HB3 ALA 32 HB3 ALA 32 -2.941 -4.200 5.807 256 H ARG 33 HN ARG 33 -6.912 -4.797 5.152 257 HA ARG 33 HA ARG 33 -7.833 -6.770 6.984 258 HB2 ARG 33 HB2 ARG 33 -8.739 -4.354 6.339 259 HB3 ARG 33 HB1 ARG 33 -9.765 -5.306 5.272 260 HG2 ARG 33 HG2 ARG 33 -10.598 -6.574 7.167 261 HG3 ARG 33 HG1 ARG 33 -9.528 -5.682 8.251 262 HD2 ARG 33 HD2 ARG 33 -11.594 -4.335 6.532 263 HD3 ARG 33 HD1 ARG 33 -11.943 -4.920 8.159 264 HE ARG 33 HE ARG 33 -9.664 -3.312 8.286 265 HH11 ARG 33 HH12 ARG 33 -13.069 -2.987 7.591 266 HH12 ARG 33 HH11 ARG 33 -13.154 -1.349 8.143 267 HH21 ARG 33 HH21 ARG 33 -9.774 -1.159 9.021 268 HH22 ARG 33 HH22 ARG 33 -11.281 -0.311 8.956 269 H ARG 34 HN ARG 34 -7.839 -6.514 3.483 270 HA ARG 34 HA ARG 34 -9.729 -8.636 3.090 271 HB2 ARG 34 HB2 ARG 34 -8.043 -6.929 1.336 272 HB3 ARG 34 HB1 ARG 34 -8.602 -8.460 0.680 273 HG2 ARG 34 HG2 ARG 34 -10.274 -7.026 0.020 274 HG3 ARG 34 HG1 ARG 34 -10.932 -7.667 1.527 275 HD2 ARG 34 HD2 ARG 34 -10.132 -5.694 2.720 276 HD3 ARG 34 HD1 ARG 34 -9.448 -5.060 1.222 277 HE ARG 34 HE ARG 34 -12.145 -5.502 0.750 278 HH11 ARG 34 HH12 ARG 34 -10.180 -3.532 2.849 279 HH12 ARG 34 HH11 ARG 34 -11.338 -2.249 2.949 280 HH21 ARG 34 HH22 ARG 34 -13.681 -3.801 0.866 281 HH22 ARG 34 HH21 ARG 34 -13.326 -2.401 1.823 282 H LEU 35 HN LEU 35 -6.219 -8.410 3.207 283 HA LEU 35 HA LEU 35 -5.980 -11.201 2.392 284 HB2 LEU 35 HB2 LEU 35 -4.010 -8.977 2.775 285 HB3 LEU 35 HB1 LEU 35 -3.473 -10.643 2.662 286 HG LEU 35 HG LEU 35 -4.960 -10.583 0.451 287 HD11 LEU 35 HD11 LEU 35 -4.699 -8.420 -0.684 288 HD12 LEU 35 HD12 LEU 35 -4.068 -7.726 0.810 289 HD13 LEU 35 HD13 LEU 35 -5.733 -8.303 0.740 290 HD21 LEU 35 HD21 LEU 35 -2.895 -10.006 -0.794 291 HD22 LEU 35 HD22 LEU 35 -2.632 -11.191 0.485 292 HD23 LEU 35 HD23 LEU 35 -2.157 -9.511 0.730 293 H GLY 36 HN GLY 36 -6.057 -9.327 5.251 294 HA2 GLY 36 HA2 GLY 36 -6.127 -10.065 7.442 295 HA3 GLY 36 HA1 GLY 36 -5.794 -11.692 6.872 296 H LEU 37 HN LEU 37 -3.984 -8.616 6.692 297 HA LEU 37 HA LEU 37 -1.793 -9.936 8.147 298 HB2 LEU 37 HB2 LEU 37 -1.323 -8.036 5.866 299 HB3 LEU 37 HB1 LEU 37 -0.145 -9.023 6.702 300 HG LEU 37 HG LEU 37 -2.362 -10.378 5.228 301 HD11 LEU 37 HD11 LEU 37 -1.543 -8.761 3.623 302 HD12 LEU 37 HD12 LEU 37 -0.996 -10.380 3.190 303 HD13 LEU 37 HD13 LEU 37 0.122 -9.245 3.947 304 HD21 LEU 37 HD21 LEU 37 -0.638 -12.086 4.912 305 HD22 LEU 37 HD22 LEU 37 -0.853 -11.691 6.618 306 HD23 LEU 37 HD23 LEU 37 0.534 -11.055 5.734 307 H SER 38 HN SER 38 -0.039 -8.143 8.612 308 HA SER 38 HA SER 38 -1.468 -5.973 9.988 309 HB2 SER 38 HB2 SER 38 -0.141 -7.626 11.364 310 HB3 SER 38 HB1 SER 38 1.313 -7.010 10.582 311 HG SER 38 HG SER 38 -0.088 -5.972 12.641 312 HA PRO 39 HA PRO 39 0.350 -2.974 7.272 313 HB2 PRO 39 HB2 PRO 39 0.449 -1.132 9.568 314 HB3 PRO 39 HB1 PRO 39 -0.449 -0.992 8.053 315 HG2 PRO 39 HG2 PRO 39 -1.684 -1.509 10.373 316 HG3 PRO 39 HG1 PRO 39 -2.251 -2.178 8.831 317 HD2 PRO 39 HD2 PRO 39 -0.729 -3.506 11.020 318 HD3 PRO 39 HD1 PRO 39 -2.014 -4.149 9.979 319 H GLU 40 HN GLU 40 1.890 -3.913 10.228 320 HA GLU 40 HA GLU 40 4.266 -2.347 9.919 321 HB2 GLU 40 HB2 GLU 40 3.511 -4.690 11.644 322 HB3 GLU 40 HB1 GLU 40 5.143 -4.034 11.647 323 HG2 GLU 40 HG2 GLU 40 4.259 -1.857 12.329 324 HG3 GLU 40 HG1 GLU 40 2.628 -2.526 12.332 325 H ASP 41 HN ASP 41 3.145 -5.325 8.609 326 HA ASP 41 HA ASP 41 5.837 -6.182 7.844 327 HB2 ASP 41 HB2 ASP 41 3.143 -7.537 7.677 328 HB3 ASP 41 HB1 ASP 41 4.596 -8.212 6.949 329 H ILE 42 HN ILE 42 2.947 -4.795 6.493 330 HA ILE 42 HA ILE 42 3.773 -5.282 3.755 331 HB ILE 42 HB ILE 42 1.559 -3.396 4.413 332 HG12 ILE 42 HG12 ILE 42 1.200 -6.394 4.516 333 HG13 ILE 42 HG11 ILE 42 1.354 -5.395 5.953 334 HG21 ILE 42 HG21 ILE 42 2.155 -3.790 2.098 335 HG22 ILE 42 HG22 ILE 42 0.553 -4.444 2.435 336 HG23 ILE 42 HG23 ILE 42 1.940 -5.527 2.316 337 HD11 ILE 42 HD11 ILE 42 -0.965 -5.876 5.509 338 HD12 ILE 42 HD12 ILE 42 -0.821 -5.208 3.883 339 HD13 ILE 42 HD13 ILE 42 -0.654 -4.156 5.287 340 H LYS 43 HN LYS 43 4.752 -3.866 2.428 341 HA LYS 43 HA LYS 43 5.124 -1.114 3.389 342 HB2 LYS 43 HB2 LYS 43 7.141 -2.942 3.331 343 HB3 LYS 43 HB1 LYS 43 7.296 -2.215 1.736 344 HG2 LYS 43 HG2 LYS 43 7.534 -0.027 2.700 345 HG3 LYS 43 HG1 LYS 43 7.227 -0.667 4.315 346 HD2 LYS 43 HD2 LYS 43 9.260 -2.173 3.889 347 HD3 LYS 43 HD1 LYS 43 9.621 -1.078 2.552 348 HE2 LYS 43 HE2 LYS 43 9.661 0.808 4.101 349 HE3 LYS 43 HE1 LYS 43 9.279 -0.277 5.437 350 HZ1 LYS 43 HZ1 LYS 43 11.722 -0.431 3.755 351 HZ2 LYS 43 HZ2 LYS 43 11.362 -1.422 5.079 352 HZ3 LYS 43 HZ3 LYS 43 11.651 0.228 5.311 353 H LEU 44 HN LEU 44 4.603 0.416 1.976 354 HA LEU 44 HA LEU 44 3.899 -0.400 -0.741 355 HB2 LEU 44 HB2 LEU 44 3.325 2.111 0.826 356 HB3 LEU 44 HB1 LEU 44 2.885 1.899 -0.858 357 HG LEU 44 HG LEU 44 1.935 -0.124 1.118 358 HD11 LEU 44 HD11 LEU 44 0.689 2.592 0.733 359 HD12 LEU 44 HD12 LEU 44 1.447 1.994 2.210 360 HD13 LEU 44 HD13 LEU 44 -0.031 1.242 1.609 361 HD21 LEU 44 HD21 LEU 44 0.025 -0.190 -0.401 362 HD22 LEU 44 HD22 LEU 44 1.539 -0.450 -1.266 363 HD23 LEU 44 HD23 LEU 44 0.731 1.115 -1.353 364 H THR 45 HN THR 45 5.011 0.226 -2.498 365 HA THR 45 HA THR 45 7.179 2.179 -2.097 366 HB THR 45 HB THR 45 7.932 0.586 -4.266 367 HG1 THR 45 HG1 THR 45 6.926 -0.977 -2.105 368 HG21 THR 45 HG21 THR 45 9.463 1.576 -2.668 369 HG22 THR 45 HG22 THR 45 9.732 -0.167 -2.744 370 HG23 THR 45 HG23 THR 45 8.844 0.530 -1.388 371 H HIS 46 HN HIS 46 7.508 3.689 -3.640 372 HA HIS 46 HA HIS 46 6.006 3.576 -6.133 373 HB2 HIS 46 HB2 HIS 46 4.742 4.825 -4.198 374 HB3 HIS 46 HB1 HIS 46 5.883 6.118 -4.552 375 HD1 HIS 46 HD1 HIS 46 3.733 3.876 -6.772 376 HD2 HIS 46 HD2 HIS 46 4.682 7.879 -6.187 377 HE1 HIS 46 HE1 HIS 46 2.476 5.134 -8.554 378 HE2 HIS 46 HE2 HIS 46 3.068 7.555 -8.179 379 H ASN 47 HN ASN 47 7.639 3.678 -7.523 380 HA ASN 47 HA ASN 47 9.387 4.464 -8.736 381 HB2 ASN 47 HB2 ASN 47 8.897 6.952 -7.095 382 HB3 ASN 47 HB1 ASN 47 10.100 6.868 -8.380 383 HD21 ASN 47 HD21 ASN 47 6.782 7.124 -7.585 384 HD22 ASN 47 HD22 ASN 47 6.181 7.310 -9.191 385 H GLY 48 HN GLY 48 9.702 3.091 -6.126 386 HA2 GLY 48 HA2 GLY 48 11.704 2.171 -5.275 387 HA3 GLY 48 HA1 GLY 48 12.567 3.591 -5.845 388 H LYS 49 HN LYS 49 10.004 4.935 -4.429 389 HA LYS 49 HA LYS 49 11.421 5.212 -1.870 390 HB2 LYS 49 HB2 LYS 49 9.451 6.980 -3.308 391 HB3 LYS 49 HB1 LYS 49 9.884 7.243 -1.624 392 HG2 LYS 49 HG2 LYS 49 12.230 7.498 -2.271 393 HG3 LYS 49 HG1 LYS 49 11.783 7.253 -3.960 394 HD2 LYS 49 HD2 LYS 49 10.363 9.247 -3.868 395 HD3 LYS 49 HD1 LYS 49 10.816 9.490 -2.181 396 HE2 LYS 49 HE2 LYS 49 12.839 9.363 -4.401 397 HE3 LYS 49 HE1 LYS 49 12.064 10.869 -3.914 398 HZ1 LYS 49 HZ1 LYS 49 13.699 9.109 -2.169 399 HZ2 LYS 49 HZ2 LYS 49 12.929 10.529 -1.672 400 HZ3 LYS 49 HZ3 LYS 49 14.180 10.599 -2.807 401 H THR 50 HN THR 50 10.464 4.803 0.058 402 HA THR 50 HA THR 50 7.992 3.264 -0.035 403 HB THR 50 HB THR 50 8.610 2.926 2.476 404 HG1 THR 50 HG1 THR 50 10.591 3.522 3.053 405 HG21 THR 50 HG21 THR 50 8.728 1.099 0.956 406 HG22 THR 50 HG22 THR 50 10.274 1.147 1.804 407 HG23 THR 50 HG23 THR 50 10.150 1.768 0.157 408 H LEU 51 HN LEU 51 6.187 3.724 1.171 409 HA LEU 51 HA LEU 51 5.892 6.536 1.910 410 HB2 LEU 51 HB2 LEU 51 3.930 4.327 1.353 411 HB3 LEU 51 HB1 LEU 51 3.431 5.862 2.038 412 HG LEU 51 HG LEU 51 4.759 6.790 -0.087 413 HD11 LEU 51 HD11 LEU 51 4.325 5.370 -2.029 414 HD12 LEU 51 HD12 LEU 51 3.728 4.095 -0.966 415 HD13 LEU 51 HD13 LEU 51 5.420 4.589 -0.889 416 HD21 LEU 51 HD21 LEU 51 1.932 5.747 -0.052 417 HD22 LEU 51 HD22 LEU 51 2.579 6.866 -1.253 418 HD23 LEU 51 HD23 LEU 51 2.481 7.350 0.440 419 H ASP 52 HN ASP 52 5.470 7.242 3.932 420 HA ASP 52 HA ASP 52 5.714 5.306 6.099 421 HB2 ASP 52 HB2 ASP 52 6.917 7.697 5.770 422 HB3 ASP 52 HB1 ASP 52 5.512 8.198 6.710 423 HA PRO 53 HA PRO 53 1.365 5.283 6.992 424 HB2 PRO 53 HB2 PRO 53 2.103 4.867 9.811 425 HB3 PRO 53 HB1 PRO 53 1.195 3.815 8.717 426 HG2 PRO 53 HG2 PRO 53 3.694 3.224 9.486 427 HG3 PRO 53 HG1 PRO 53 3.075 2.812 7.875 428 HD2 PRO 53 HD2 PRO 53 4.907 5.016 8.688 429 HD3 PRO 53 HD1 PRO 53 4.914 4.014 7.224 430 H SER 54 HN SER 54 3.549 7.385 8.745 431 HA SER 54 HA SER 54 1.438 8.776 10.136 432 HB2 SER 54 HB2 SER 54 3.256 10.282 10.893 433 HB3 SER 54 HB1 SER 54 3.614 8.581 11.198 434 HG SER 54 HG SER 54 4.474 9.742 8.798 435 H LEU 55 HN LEU 55 3.101 9.138 7.100 436 HA LEU 55 HA LEU 55 2.355 11.887 6.780 437 HB2 LEU 55 HB2 LEU 55 3.769 9.843 5.122 438 HB3 LEU 55 HB1 LEU 55 3.301 11.374 4.468 439 HG LEU 55 HG LEU 55 4.958 11.256 6.952 440 HD11 LEU 55 HD11 LEU 55 6.097 9.878 5.274 441 HD12 LEU 55 HD12 LEU 55 6.972 11.370 5.609 442 HD13 LEU 55 HD13 LEU 55 6.021 11.219 4.133 443 HD21 LEU 55 HD21 LEU 55 4.640 13.288 4.748 444 HD22 LEU 55 HD22 LEU 55 5.744 13.439 6.118 445 HD23 LEU 55 HD23 LEU 55 4.001 13.401 6.390 446 H THR 56 HN THR 56 1.586 12.179 4.281 447 HA THR 56 HA THR 56 -0.939 10.676 4.077 448 HB THR 56 HB THR 56 -1.943 12.676 3.030 449 HG1 THR 56 HG1 THR 56 -0.805 14.577 2.921 450 HG21 THR 56 HG21 THR 56 -0.743 13.044 5.771 451 HG22 THR 56 HG22 THR 56 -2.343 12.418 5.369 452 HG23 THR 56 HG23 THR 56 -1.964 14.119 5.092 453 H LEU 57 HN LEU 57 -1.844 10.553 1.877 454 HA LEU 57 HA LEU 57 0.125 9.612 0.041 455 HB2 LEU 57 HB2 LEU 57 -2.855 9.986 -0.211 456 HB3 LEU 57 HB1 LEU 57 -1.858 9.235 -1.444 457 HG LEU 57 HG LEU 57 -1.751 8.127 1.322 458 HD11 LEU 57 HD11 LEU 57 -3.673 6.694 0.875 459 HD12 LEU 57 HD12 LEU 57 -3.989 7.578 -0.619 460 HD13 LEU 57 HD13 LEU 57 -4.136 8.394 0.937 461 HD21 LEU 57 HD21 LEU 57 -1.659 6.881 -1.422 462 HD22 LEU 57 HD22 LEU 57 -1.425 6.038 0.108 463 HD23 LEU 57 HD23 LEU 57 -0.266 7.261 -0.409 464 H ALA 58 HN ALA 58 -1.776 12.539 0.325 465 HA ALA 58 HA ALA 58 -1.166 13.490 -2.314 466 HB1 ALA 58 HB1 ALA 58 -3.242 14.097 -1.165 467 HB2 ALA 58 HB2 ALA 58 -2.310 15.517 -1.640 468 HB3 ALA 58 HB3 ALA 58 -2.306 14.982 0.040 469 H GLU 59 HN GLU 59 0.613 13.388 0.561 470 HA GLU 59 HA GLU 59 2.058 15.863 0.147 471 HB2 GLU 59 HB2 GLU 59 1.577 14.491 2.384 472 HB3 GLU 59 HB1 GLU 59 3.108 13.740 1.951 473 HG2 GLU 59 HG2 GLU 59 3.746 15.469 3.345 474 HG3 GLU 59 HG1 GLU 59 3.983 16.152 1.739 475 H TYR 60 HN TYR 60 2.250 12.611 -0.877 476 HA TYR 60 HA TYR 60 5.067 12.741 -1.547 477 HB2 TYR 60 HB2 TYR 60 2.953 10.643 -1.516 478 HB3 TYR 60 HB1 TYR 60 4.322 10.419 -2.586 479 HD1 TYR 60 HD1 TYR 60 6.586 10.121 -1.665 480 HD2 TYR 60 HD2 TYR 60 3.190 10.496 0.871 481 HE1 TYR 60 HE1 TYR 60 7.905 9.256 0.222 482 HE2 TYR 60 HE2 TYR 60 4.499 9.634 2.765 483 HH TYR 60 HH TYR 60 6.459 8.395 3.234 484 H GLY 61 HN GLY 61 2.023 13.357 -3.020 485 HA2 GLY 61 HA2 GLY 61 1.738 14.451 -5.079 486 HA3 GLY 61 HA1 GLY 61 3.372 13.985 -5.528 487 H ILE 62 HN ILE 62 0.617 12.004 -4.447 488 HA ILE 62 HA ILE 62 0.853 10.509 -6.978 489 HB ILE 62 HB ILE 62 -0.302 9.382 -4.439 490 HG12 ILE 62 HG12 ILE 62 2.405 8.522 -5.238 491 HG13 ILE 62 HG11 ILE 62 2.301 10.159 -4.593 492 HG21 ILE 62 HG21 ILE 62 -0.898 8.241 -6.507 493 HG22 ILE 62 HG22 ILE 62 0.164 7.235 -5.521 494 HG23 ILE 62 HG23 ILE 62 0.808 8.085 -6.926 495 HD11 ILE 62 HD11 ILE 62 2.816 8.545 -2.851 496 HD12 ILE 62 HD12 ILE 62 1.335 7.660 -3.223 497 HD13 ILE 62 HD13 ILE 62 1.244 9.299 -2.576 498 H THR 63 HN THR 63 -0.928 10.134 -8.182 499 HA THR 63 HA THR 63 -3.504 11.111 -7.145 500 HB THR 63 HB THR 63 -4.031 11.695 -9.575 501 HG1 THR 63 HG1 THR 63 -2.463 11.563 -11.009 502 HG21 THR 63 HG21 THR 63 -2.913 13.879 -9.424 503 HG22 THR 63 HG22 THR 63 -1.871 13.253 -8.147 504 HG23 THR 63 HG23 THR 63 -3.608 13.399 -7.875 505 HA PRO 64 HA PRO 64 -5.242 7.216 -8.306 506 HB2 PRO 64 HB2 PRO 64 -7.676 8.496 -9.297 507 HB3 PRO 64 HB1 PRO 64 -7.449 7.499 -7.857 508 HG2 PRO 64 HG2 PRO 64 -7.944 10.144 -7.707 509 HG3 PRO 64 HG1 PRO 64 -6.953 9.286 -6.513 510 HD2 PRO 64 HD2 PRO 64 -6.088 11.014 -8.790 511 HD3 PRO 64 HD1 PRO 64 -5.439 10.903 -7.140 512 H GLY 65 HN GLY 65 -5.459 5.866 -10.054 513 HA2 GLY 65 HA2 GLY 65 -6.071 5.477 -12.363 514 HA3 GLY 65 HA1 GLY 65 -5.583 7.126 -12.717 515 H SER 66 HN SER 66 -3.338 5.944 -10.635 516 HA SER 66 HA SER 66 -1.558 5.180 -12.848 517 HB2 SER 66 HB2 SER 66 -0.860 6.267 -10.107 518 HB3 SER 66 HB1 SER 66 0.301 5.861 -11.370 519 HG SER 66 HG SER 66 -0.363 7.565 -12.546 520 H THR 67 HN THR 67 0.064 3.539 -12.400 521 HA THR 67 HA THR 67 -1.087 1.337 -10.901 522 HB THR 67 HB THR 67 0.918 0.070 -11.891 523 HG1 THR 67 HG1 THR 67 1.347 2.617 -12.865 524 HG21 THR 67 HG21 THR 67 -1.364 -0.112 -12.761 525 HG22 THR 67 HG22 THR 67 -0.180 -0.152 -14.068 526 HG23 THR 67 HG23 THR 67 -1.101 1.319 -13.758 527 H ILE 68 HN ILE 68 -0.486 0.798 -8.912 528 HA ILE 68 HA ILE 68 2.010 1.948 -7.854 529 HB ILE 68 HB ILE 68 -0.200 0.790 -6.168 530 HG12 ILE 68 HG12 ILE 68 0.033 3.736 -6.560 531 HG13 ILE 68 HG11 ILE 68 -0.761 2.800 -7.823 532 HG21 ILE 68 HG21 ILE 68 0.757 2.217 -4.433 533 HG22 ILE 68 HG22 ILE 68 1.960 2.811 -5.577 534 HG23 ILE 68 HG23 ILE 68 1.969 1.116 -5.088 535 HD11 ILE 68 HD11 ILE 68 -1.554 2.757 -4.924 536 HD12 ILE 68 HD12 ILE 68 -2.402 2.003 -6.274 537 HD13 ILE 68 HD13 ILE 68 -2.311 3.761 -6.160 538 H THR 69 HN THR 69 3.431 0.655 -6.624 539 HA THR 69 HA THR 69 3.245 -2.206 -7.219 540 HB THR 69 HB THR 69 5.813 -1.926 -6.536 541 HG1 THR 69 HG1 THR 69 6.562 0.089 -7.396 542 HG21 THR 69 HG21 THR 69 6.349 -1.761 -8.918 543 HG22 THR 69 HG22 THR 69 4.708 -1.206 -9.253 544 HG23 THR 69 HG23 THR 69 4.980 -2.844 -8.657 545 H LEU 70 HN LEU 70 3.318 -3.654 -5.571 546 HA LEU 70 HA LEU 70 3.726 -2.572 -2.865 547 HB2 LEU 70 HB2 LEU 70 1.309 -3.128 -3.698 548 HB3 LEU 70 HB1 LEU 70 1.790 -4.784 -3.390 549 HG LEU 70 HG LEU 70 2.205 -2.810 -1.206 550 HD11 LEU 70 HD11 LEU 70 -0.032 -2.251 -2.021 551 HD12 LEU 70 HD12 LEU 70 -0.102 -3.045 -0.450 552 HD13 LEU 70 HD13 LEU 70 -0.497 -3.948 -1.913 553 HD21 LEU 70 HD21 LEU 70 2.918 -5.061 -0.837 554 HD22 LEU 70 HD22 LEU 70 1.366 -5.698 -1.382 555 HD23 LEU 70 HD23 LEU 70 1.466 -4.790 0.127 556 H GLU 71 HN GLU 71 4.862 -3.795 -1.442 557 HA GLU 71 HA GLU 71 5.735 -6.464 -2.306 558 HB2 GLU 71 HB2 GLU 71 7.409 -4.431 -2.606 559 HB3 GLU 71 HB1 GLU 71 7.689 -4.706 -0.891 560 HG2 GLU 71 HG2 GLU 71 8.270 -7.039 -1.375 561 HG3 GLU 71 HG1 GLU 71 8.027 -6.730 -3.094 562 H ILE 72 HN ILE 72 5.651 -7.978 -0.767 563 HA ILE 72 HA ILE 72 5.178 -7.106 2.012 564 HB ILE 72 HB ILE 72 4.215 -9.730 0.890 565 HG12 ILE 72 HG12 ILE 72 1.950 -8.204 1.127 566 HG13 ILE 72 HG11 ILE 72 3.105 -7.039 0.484 567 HG21 ILE 72 HG21 ILE 72 4.354 -9.566 3.312 568 HG22 ILE 72 HG22 ILE 72 2.672 -9.649 2.786 569 HG23 ILE 72 HG23 ILE 72 3.367 -8.105 3.282 570 HD11 ILE 72 HD11 ILE 72 1.812 -8.169 -1.267 571 HD12 ILE 72 HD12 ILE 72 2.481 -9.715 -0.744 572 HD13 ILE 72 HD13 ILE 72 3.544 -8.473 -1.407 573 H LYS 73 HN LYS 73 6.241 -8.169 3.661 574 HA LYS 73 HA LYS 73 8.309 -10.092 2.824 575 HB2 LYS 73 HB2 LYS 73 8.438 -7.861 4.842 576 HB3 LYS 73 HB1 LYS 73 9.587 -9.192 4.851 577 HG2 LYS 73 HG2 LYS 73 10.277 -8.623 2.582 578 HG3 LYS 73 HG1 LYS 73 9.116 -7.294 2.561 579 HD2 LYS 73 HD2 LYS 73 10.291 -6.239 4.429 580 HD3 LYS 73 HD1 LYS 73 11.450 -7.573 4.454 581 HE2 LYS 73 HE2 LYS 73 12.122 -7.012 2.163 582 HE3 LYS 73 HE1 LYS 73 10.986 -5.665 2.164 583 HZ1 LYS 73 HZ1 LYS 73 12.227 -4.669 3.984 584 HZ2 LYS 73 HZ2 LYS 73 13.230 -4.925 2.645 585 HZ3 LYS 73 HZ3 LYS 73 13.319 -5.963 3.976 586 H LYS 74 HN LYS 74 8.695 -11.861 4.103 587 HA LYS 74 HA LYS 74 6.663 -12.390 6.163 588 HB2 LYS 74 HB2 LYS 74 8.156 -14.215 4.292 589 HB3 LYS 74 HB1 LYS 74 7.344 -14.830 5.726 590 HG2 LYS 74 HG2 LYS 74 5.221 -13.941 4.906 591 HG3 LYS 74 HG1 LYS 74 6.037 -13.330 3.464 592 HD2 LYS 74 HD2 LYS 74 6.676 -15.618 2.863 593 HD3 LYS 74 HD1 LYS 74 5.852 -16.222 4.301 594 HE2 LYS 74 HE2 LYS 74 4.341 -16.552 2.526 595 HE3 LYS 74 HE1 LYS 74 3.755 -15.128 3.387 596 HZ1 LYS 74 HZ1 LYS 74 3.705 -14.798 0.998 597 HZ2 LYS 74 HZ2 LYS 74 5.366 -15.100 0.892 598 HZ3 LYS 74 HZ3 LYS 74 4.807 -13.732 1.716 599 H LYS 75 HN LYS 75 7.306 -13.583 8.058 600 HA LYS 75 HA LYS 75 10.041 -12.917 8.868 601 HB2 LYS 75 HB2 LYS 75 7.527 -13.512 10.410 602 HB3 LYS 75 HB1 LYS 75 9.104 -13.498 11.188 603 HG2 LYS 75 HG2 LYS 75 9.427 -11.175 10.495 604 HG3 LYS 75 HG1 LYS 75 7.841 -11.192 9.717 605 HD2 LYS 75 HD2 LYS 75 6.793 -11.647 11.889 606 HD3 LYS 75 HD1 LYS 75 8.382 -11.606 12.659 607 HE2 LYS 75 HE2 LYS 75 8.658 -9.279 11.964 608 HE3 LYS 75 HE1 LYS 75 7.076 -9.322 11.182 609 HZ1 LYS 75 HZ1 LYS 75 6.961 -8.293 13.364 610 HZ2 LYS 75 HZ2 LYS 75 7.578 -9.692 14.087 611 HZ3 LYS 75 HZ3 LYS 75 6.062 -9.727 13.336 612 H GLY 76 HN GLY 76 8.649 -15.439 7.473 613 HA2 GLY 76 HA2 GLY 76 9.898 -17.475 7.175 614 HA3 GLY 76 HA1 GLY 76 10.413 -17.354 8.850 615 H GLY 77 HN GLY 77 9.184 -19.601 7.478 616 HA2 GLY 77 HA2 GLY 77 7.103 -20.138 9.434 617 HA3 GLY 77 HA1 GLY 77 6.573 -20.139 7.756 618 H LEU 78 HN LEU 78 9.105 -21.521 9.839 619 HA LEU 78 HA LEU 78 9.115 -23.919 8.146 620 HB2 LEU 78 HB2 LEU 78 11.082 -22.912 10.198 621 HB3 LEU 78 HB1 LEU 78 11.206 -24.481 9.431 622 HG LEU 78 HG LEU 78 11.053 -22.064 7.688 623 HD11 LEU 78 HD11 LEU 78 13.488 -21.796 7.831 624 HD12 LEU 78 HD12 LEU 78 13.527 -22.960 9.154 625 HD13 LEU 78 HD13 LEU 78 12.688 -21.422 9.359 626 HD21 LEU 78 HD21 LEU 78 12.523 -23.427 6.281 627 HD22 LEU 78 HD22 LEU 78 11.040 -24.288 6.689 628 HD23 LEU 78 HD23 LEU 78 12.545 -24.682 7.519 629 H GLU 79 HN GLU 79 8.409 -25.830 8.867 630 HA GLU 79 HA GLU 79 7.738 -26.084 11.721 631 HB2 GLU 79 HB2 GLU 79 6.082 -26.813 9.314 632 HB3 GLU 79 HB1 GLU 79 5.797 -27.545 10.886 633 HG2 GLU 79 HG2 GLU 79 5.399 -25.329 11.842 634 HG3 GLU 79 HG1 GLU 79 5.674 -24.602 10.261 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 -8.193 7.608 -11.833 2 H2 MET 1 HT2 MET 1 -8.762 7.898 -13.398 3 H3 MET 1 HT3 MET 1 -9.691 6.989 -12.318 4 HA MET 1 HA MET 1 -9.015 9.858 -12.052 5 HB2 MET 1 HB2 MET 1 -11.531 8.401 -12.846 6 HB3 MET 1 HB1 MET 1 -11.563 10.051 -12.239 7 HG2 MET 1 HG2 MET 1 -10.089 9.098 -14.684 8 HG3 MET 1 HG1 MET 1 -11.611 9.989 -14.669 9 HE1 MET 1 HE1 MET 1 -10.685 13.574 -13.922 10 HE2 MET 1 HE2 MET 1 -11.571 12.392 -12.960 11 HE3 MET 1 HE3 MET 1 -11.809 12.465 -14.707 12 H ASP 2 HN ASP 2 -10.614 7.018 -10.687 13 HA ASP 2 HA ASP 2 -10.462 8.274 -8.040 14 HB2 ASP 2 HB2 ASP 2 -12.922 7.040 -9.279 15 HB3 ASP 2 HB1 ASP 2 -12.738 7.213 -7.537 16 H THR 3 HN THR 3 -10.102 5.575 -10.057 17 HA THR 3 HA THR 3 -9.838 3.755 -7.762 18 HB THR 3 HB THR 3 -9.865 1.948 -9.566 19 HG1 THR 3 HG1 THR 3 -10.841 2.606 -11.541 20 HG21 THR 3 HG21 THR 3 -12.333 3.651 -9.182 21 HG22 THR 3 HG22 THR 3 -11.776 2.372 -8.102 22 HG23 THR 3 HG23 THR 3 -12.317 1.973 -9.732 23 H ILE 4 HN ILE 4 -8.055 2.347 -7.655 24 HA ILE 4 HA ILE 4 -5.740 3.059 -9.325 25 HB ILE 4 HB ILE 4 -4.315 2.662 -7.250 26 HG12 ILE 4 HG12 ILE 4 -6.534 3.591 -5.539 27 HG13 ILE 4 HG11 ILE 4 -6.662 1.918 -6.079 28 HG21 ILE 4 HG21 ILE 4 -4.607 4.980 -6.451 29 HG22 ILE 4 HG22 ILE 4 -6.094 5.088 -7.397 30 HG23 ILE 4 HG23 ILE 4 -4.545 4.854 -8.210 31 HD11 ILE 4 HD11 ILE 4 -4.322 3.123 -4.618 32 HD12 ILE 4 HD12 ILE 4 -4.465 1.445 -5.142 33 HD13 ILE 4 HD13 ILE 4 -5.562 2.082 -3.918 34 H ASN 5 HN ASN 5 -4.025 1.400 -9.272 35 HA ASN 5 HA ASN 5 -5.196 -1.277 -8.948 36 HB2 ASN 5 HB2 ASN 5 -4.550 -1.625 -11.068 37 HB3 ASN 5 HB1 ASN 5 -3.761 -0.059 -11.131 38 HD21 ASN 5 HD21 ASN 5 -1.637 0.005 -11.250 39 HD22 ASN 5 HD22 ASN 5 -0.592 -1.358 -11.093 40 H ILE 6 HN ILE 6 -4.282 -2.671 -7.607 41 HA ILE 6 HA ILE 6 -1.752 -1.894 -6.317 42 HB ILE 6 HB ILE 6 -3.921 -3.654 -5.147 43 HG12 ILE 6 HG12 ILE 6 -3.821 -1.395 -3.592 44 HG13 ILE 6 HG11 ILE 6 -3.588 -0.733 -5.206 45 HG21 ILE 6 HG21 ILE 6 -2.676 -3.164 -3.016 46 HG22 ILE 6 HG22 ILE 6 -1.384 -2.498 -4.015 47 HG23 ILE 6 HG23 ILE 6 -1.830 -4.198 -4.167 48 HD11 ILE 6 HD11 ILE 6 -5.655 -1.788 -5.942 49 HD12 ILE 6 HD12 ILE 6 -5.928 -0.721 -4.564 50 HD13 ILE 6 HD13 ILE 6 -5.884 -2.467 -4.330 51 H THR 7 HN THR 7 -0.111 -3.061 -7.038 52 HA THR 7 HA THR 7 -0.618 -5.707 -8.172 53 HB THR 7 HB THR 7 2.102 -4.498 -8.235 54 HG1 THR 7 HG1 THR 7 0.533 -2.805 -8.771 55 HG21 THR 7 HG21 THR 7 0.428 -5.990 -10.260 56 HG22 THR 7 HG22 THR 7 1.674 -6.694 -9.230 57 HG23 THR 7 HG23 THR 7 2.114 -5.515 -10.466 58 H LEU 8 HN LEU 8 -0.231 -7.494 -7.086 59 HA LEU 8 HA LEU 8 1.333 -7.391 -4.628 60 HB2 LEU 8 HB2 LEU 8 -1.010 -8.701 -5.492 61 HB3 LEU 8 HB1 LEU 8 0.193 -9.940 -5.287 62 HG LEU 8 HG LEU 8 0.488 -8.526 -2.970 63 HD11 LEU 8 HD11 LEU 8 -2.477 -8.689 -3.338 64 HD12 LEU 8 HD12 LEU 8 -1.587 -7.233 -3.786 65 HD13 LEU 8 HD13 LEU 8 -1.548 -7.813 -2.122 66 HD21 LEU 8 HD21 LEU 8 -0.735 -10.364 -1.917 67 HD22 LEU 8 HD22 LEU 8 0.354 -10.948 -3.174 68 HD23 LEU 8 HD23 LEU 8 -1.378 -10.837 -3.489 69 HA PRO 9 HA PRO 9 4.731 -9.678 -6.385 70 HB2 PRO 9 HB2 PRO 9 4.865 -11.506 -4.103 71 HB3 PRO 9 HB1 PRO 9 5.999 -10.238 -4.586 72 HG2 PRO 9 HG2 PRO 9 4.468 -10.019 -2.382 73 HG3 PRO 9 HG1 PRO 9 4.957 -8.621 -3.354 74 HD2 PRO 9 HD2 PRO 9 2.340 -10.054 -3.300 75 HD3 PRO 9 HD1 PRO 9 2.676 -8.311 -3.406 76 H ASP 10 HN ASP 10 1.749 -11.080 -5.859 77 HA ASP 10 HA ASP 10 2.498 -13.771 -6.696 78 HB2 ASP 10 HB2 ASP 10 0.625 -13.034 -4.980 79 HB3 ASP 10 HB1 ASP 10 -0.344 -12.883 -6.442 80 H GLY 11 HN GLY 11 1.462 -10.810 -8.064 81 HA2 GLY 11 HA2 GLY 11 1.633 -10.435 -10.415 82 HA3 GLY 11 HA1 GLY 11 1.239 -12.125 -10.681 83 H LYS 12 HN LYS 12 -0.820 -10.887 -8.347 84 HA LYS 12 HA LYS 12 -2.910 -10.525 -10.377 85 HB2 LYS 12 HB2 LYS 12 -4.506 -10.887 -8.479 86 HB3 LYS 12 HB1 LYS 12 -3.481 -12.264 -8.845 87 HG2 LYS 12 HG2 LYS 12 -2.025 -11.666 -6.961 88 HG3 LYS 12 HG1 LYS 12 -3.102 -10.319 -6.581 89 HD2 LYS 12 HD2 LYS 12 -4.933 -11.856 -6.172 90 HD3 LYS 12 HD1 LYS 12 -3.925 -13.222 -6.657 91 HE2 LYS 12 HE2 LYS 12 -3.894 -13.246 -4.310 92 HE3 LYS 12 HE1 LYS 12 -2.356 -12.527 -4.782 93 HZ1 LYS 12 HZ1 LYS 12 -3.267 -10.342 -4.344 94 HZ2 LYS 12 HZ2 LYS 12 -3.406 -11.316 -2.967 95 HZ3 LYS 12 HZ3 LYS 12 -4.764 -11.015 -3.927 96 H THR 13 HN THR 13 -4.388 -8.808 -10.239 97 HA THR 13 HA THR 13 -3.324 -6.463 -8.812 98 HB THR 13 HB THR 13 -4.582 -5.134 -10.568 99 HG1 THR 13 HG1 THR 13 -4.772 -7.744 -11.696 100 HG21 THR 13 HG21 THR 13 -2.355 -6.958 -11.488 101 HG22 THR 13 HG22 THR 13 -2.161 -5.414 -10.657 102 HG23 THR 13 HG23 THR 13 -2.844 -5.462 -12.283 103 H LEU 14 HN LEU 14 -4.779 -4.967 -7.898 104 HA LEU 14 HA LEU 14 -7.532 -5.921 -7.500 105 HB2 LEU 14 HB2 LEU 14 -5.787 -6.283 -5.556 106 HB3 LEU 14 HB1 LEU 14 -6.074 -4.578 -5.263 107 HG LEU 14 HG LEU 14 -8.502 -6.245 -5.508 108 HD11 LEU 14 HD11 LEU 14 -8.302 -7.084 -3.206 109 HD12 LEU 14 HD12 LEU 14 -6.633 -6.513 -3.158 110 HD13 LEU 14 HD13 LEU 14 -7.098 -7.789 -4.285 111 HD21 LEU 14 HD21 LEU 14 -7.584 -4.140 -3.550 112 HD22 LEU 14 HD22 LEU 14 -9.196 -4.853 -3.611 113 HD23 LEU 14 HD23 LEU 14 -8.611 -3.876 -4.958 114 H THR 15 HN THR 15 -9.084 -4.287 -7.136 115 HA THR 15 HA THR 15 -8.179 -1.588 -7.886 116 HB THR 15 HB THR 15 -11.039 -2.398 -8.158 117 HG1 THR 15 HG1 THR 15 -10.665 -3.581 -9.922 118 HG21 THR 15 HG21 THR 15 -10.906 -0.872 -10.092 119 HG22 THR 15 HG22 THR 15 -9.195 -0.619 -9.753 120 HG23 THR 15 HG23 THR 15 -10.411 -0.091 -8.590 121 H LEU 16 HN LEU 16 -8.311 -0.080 -6.364 122 HA LEU 16 HA LEU 16 -10.409 -0.301 -4.317 123 HB2 LEU 16 HB2 LEU 16 -8.033 -1.018 -3.584 124 HB3 LEU 16 HB1 LEU 16 -7.658 0.693 -3.642 125 HG LEU 16 HG LEU 16 -9.774 0.886 -2.075 126 HD11 LEU 16 HD11 LEU 16 -8.838 -1.941 -1.601 127 HD12 LEU 16 HD12 LEU 16 -10.423 -1.444 -2.192 128 HD13 LEU 16 HD13 LEU 16 -9.928 -1.036 -0.548 129 HD21 LEU 16 HD21 LEU 16 -7.080 -0.099 -1.140 130 HD22 LEU 16 HD22 LEU 16 -8.283 0.714 -0.137 131 HD23 LEU 16 HD23 LEU 16 -7.523 1.575 -1.476 132 H THR 17 HN THR 17 -10.911 1.752 -3.257 133 HA THR 17 HA THR 17 -10.682 3.965 -5.151 134 HB THR 17 HB THR 17 -12.350 4.202 -2.693 135 HG1 THR 17 HG1 THR 17 -13.611 2.586 -3.220 136 HG21 THR 17 HG21 THR 17 -12.239 6.036 -4.303 137 HG22 THR 17 HG22 THR 17 -13.862 5.345 -4.262 138 HG23 THR 17 HG23 THR 17 -12.771 4.952 -5.590 139 H VAL 18 HN VAL 18 -9.585 5.811 -4.725 140 HA VAL 18 HA VAL 18 -8.313 6.026 -2.068 141 HB VAL 18 HB VAL 18 -6.620 7.502 -3.384 142 HG11 VAL 18 HG11 VAL 18 -5.380 5.357 -4.071 143 HG12 VAL 18 HG12 VAL 18 -6.763 4.512 -3.370 144 HG13 VAL 18 HG13 VAL 18 -5.785 5.588 -2.370 145 HG21 VAL 18 HG21 VAL 18 -7.831 7.563 -5.488 146 HG22 VAL 18 HG22 VAL 18 -7.749 5.805 -5.608 147 HG23 VAL 18 HG23 VAL 18 -6.274 6.766 -5.701 148 H THR 19 HN THR 19 -8.157 8.030 -1.088 149 HA THR 19 HA THR 19 -9.484 10.295 -2.387 150 HB THR 19 HB THR 19 -10.557 10.833 -0.123 151 HG1 THR 19 HG1 THR 19 -10.326 8.035 0.298 152 HG21 THR 19 HG21 THR 19 -12.519 9.424 -0.576 153 HG22 THR 19 HG22 THR 19 -11.550 8.432 -1.664 154 HG23 THR 19 HG23 THR 19 -11.866 10.122 -2.058 155 HA PRO 20 HA PRO 20 -6.151 12.602 -0.632 156 HB2 PRO 20 HB2 PRO 20 -7.832 14.933 -0.180 157 HB3 PRO 20 HB1 PRO 20 -6.591 14.684 -1.412 158 HG2 PRO 20 HG2 PRO 20 -9.231 14.840 -2.001 159 HG3 PRO 20 HG1 PRO 20 -8.074 13.900 -2.959 160 HD2 PRO 20 HD2 PRO 20 -10.037 12.957 -0.918 161 HD3 PRO 20 HD1 PRO 20 -9.571 12.222 -2.466 162 H GLU 21 HN GLU 21 -8.895 11.863 1.193 163 HA GLU 21 HA GLU 21 -7.891 13.174 3.605 164 HB2 GLU 21 HB2 GLU 21 -10.402 13.039 2.732 165 HB3 GLU 21 HB1 GLU 21 -10.372 11.530 3.635 166 HG2 GLU 21 HG2 GLU 21 -9.719 12.731 5.646 167 HG3 GLU 21 HG1 GLU 21 -9.702 14.246 4.747 168 H PHE 22 HN PHE 22 -7.723 10.187 2.031 169 HA PHE 22 HA PHE 22 -7.543 8.578 4.421 170 HB2 PHE 22 HB2 PHE 22 -7.818 8.096 1.605 171 HB3 PHE 22 HB1 PHE 22 -6.437 7.211 2.205 172 HD1 PHE 22 HD1 PHE 22 -10.019 7.858 2.955 173 HD2 PHE 22 HD2 PHE 22 -6.746 5.152 3.192 174 HE1 PHE 22 HE1 PHE 22 -11.526 6.118 3.831 175 HE2 PHE 22 HE2 PHE 22 -8.244 3.410 4.068 176 HZ PHE 22 HZ PHE 22 -10.636 3.891 4.388 177 H THR 23 HN THR 23 -5.696 7.778 5.330 178 HA THR 23 HA THR 23 -3.213 9.120 4.561 179 HB THR 23 HB THR 23 -2.367 8.029 6.734 180 HG1 THR 23 HG1 THR 23 -3.763 6.729 7.639 181 HG21 THR 23 HG21 THR 23 -4.542 10.118 6.772 182 HG22 THR 23 HG22 THR 23 -2.805 10.386 6.640 183 HG23 THR 23 HG23 THR 23 -3.486 9.761 8.141 184 H VAL 24 HN VAL 24 -1.177 7.679 4.839 185 HA VAL 24 HA VAL 24 -1.381 5.527 3.004 186 HB VAL 24 HB VAL 24 0.925 6.027 4.893 187 HG11 VAL 24 HG11 VAL 24 0.811 4.748 2.162 188 HG12 VAL 24 HG12 VAL 24 1.001 3.898 3.696 189 HG13 VAL 24 HG13 VAL 24 2.266 4.990 3.131 190 HG21 VAL 24 HG21 VAL 24 0.387 8.104 3.758 191 HG22 VAL 24 HG22 VAL 24 0.384 7.275 2.202 192 HG23 VAL 24 HG23 VAL 24 1.884 7.430 3.114 193 H LYS 25 HN LYS 25 -1.363 5.752 6.489 194 HA LYS 25 HA LYS 25 -1.024 2.971 7.021 195 HB2 LYS 25 HB2 LYS 25 -0.704 5.064 8.558 196 HB3 LYS 25 HB1 LYS 25 -2.417 4.843 8.894 197 HG2 LYS 25 HG2 LYS 25 -1.998 2.601 9.704 198 HG3 LYS 25 HG1 LYS 25 -0.284 2.762 9.307 199 HD2 LYS 25 HD2 LYS 25 -0.088 4.604 10.899 200 HD3 LYS 25 HD1 LYS 25 -1.802 4.455 11.290 201 HE2 LYS 25 HE2 LYS 25 -1.417 2.178 12.097 202 HE3 LYS 25 HE1 LYS 25 0.296 2.332 11.709 203 HZ1 LYS 25 HZ1 LYS 25 -1.184 3.987 13.682 204 HZ2 LYS 25 HZ2 LYS 25 0.460 4.135 13.309 205 HZ3 LYS 25 HZ3 LYS 25 -0.115 2.727 14.052 206 H GLU 26 HN GLU 26 -3.791 5.102 6.592 207 HA GLU 26 HA GLU 26 -5.749 3.187 7.384 208 HB2 GLU 26 HB2 GLU 26 -5.779 5.874 6.999 209 HB3 GLU 26 HB1 GLU 26 -6.580 5.322 5.531 210 HG2 GLU 26 HG2 GLU 26 -8.315 4.299 6.742 211 HG3 GLU 26 HG1 GLU 26 -7.428 4.407 8.262 212 H LEU 27 HN LEU 27 -4.637 4.388 4.209 213 HA LEU 27 HA LEU 27 -6.264 2.743 2.647 214 HB2 LEU 27 HB2 LEU 27 -4.845 4.724 1.938 215 HB3 LEU 27 HB1 LEU 27 -3.483 3.622 1.919 216 HG LEU 27 HG LEU 27 -5.003 2.211 0.316 217 HD11 LEU 27 HD11 LEU 27 -6.462 3.604 -1.065 218 HD12 LEU 27 HD12 LEU 27 -6.157 4.978 -0.000 219 HD13 LEU 27 HD13 LEU 27 -7.005 3.558 0.613 220 HD21 LEU 27 HD21 LEU 27 -2.880 3.192 -0.335 221 HD22 LEU 27 HD22 LEU 27 -3.649 4.766 -0.546 222 HD23 LEU 27 HD23 LEU 27 -4.079 3.425 -1.607 223 H ALA 28 HN ALA 28 -3.232 2.100 4.279 224 HA ALA 28 HA ALA 28 -2.647 -0.342 2.937 225 HB1 ALA 28 HB1 ALA 28 -1.667 0.637 5.609 226 HB2 ALA 28 HB2 ALA 28 -0.917 0.974 4.050 227 HB3 ALA 28 HB3 ALA 28 -0.972 -0.679 4.666 228 H GLU 29 HN GLU 29 -4.415 0.460 5.906 229 HA GLU 29 HA GLU 29 -4.668 -2.247 6.766 230 HB2 GLU 29 HB2 GLU 29 -5.995 -1.451 8.518 231 HB3 GLU 29 HB1 GLU 29 -4.899 -0.120 8.186 232 HG2 GLU 29 HG2 GLU 29 -6.699 0.921 6.813 233 HG3 GLU 29 HG1 GLU 29 -7.782 -0.358 7.364 234 H GLU 30 HN GLU 30 -6.409 -0.278 4.507 235 HA GLU 30 HA GLU 30 -8.835 -1.760 4.471 236 HB2 GLU 30 HB2 GLU 30 -7.760 0.509 3.130 237 HB3 GLU 30 HB1 GLU 30 -8.305 -0.619 1.902 238 HG2 GLU 30 HG2 GLU 30 -10.486 -0.726 3.229 239 HG3 GLU 30 HG1 GLU 30 -9.904 0.719 4.054 240 H ILE 31 HN ILE 31 -5.970 -1.794 2.364 241 HA ILE 31 HA ILE 31 -6.864 -4.002 0.809 242 HB ILE 31 HB ILE 31 -5.236 -2.304 -0.005 243 HG12 ILE 31 HG12 ILE 31 -3.551 -4.196 -0.856 244 HG13 ILE 31 HG11 ILE 31 -4.803 -5.239 -0.180 245 HG21 ILE 31 HG21 ILE 31 -3.877 -2.168 2.053 246 HG22 ILE 31 HG22 ILE 31 -2.911 -2.417 0.598 247 HG23 ILE 31 HG23 ILE 31 -3.223 -3.765 1.692 248 HD11 ILE 31 HD11 ILE 31 -5.287 -3.084 -2.218 249 HD12 ILE 31 HD12 ILE 31 -6.455 -4.258 -1.614 250 HD13 ILE 31 HD13 ILE 31 -5.085 -4.798 -2.583 251 H ALA 32 HN ALA 32 -4.890 -3.714 3.708 252 HA ALA 32 HA ALA 32 -3.845 -6.353 3.684 253 HB1 ALA 32 HB1 ALA 32 -4.239 -4.563 6.070 254 HB2 ALA 32 HB2 ALA 32 -2.870 -4.466 4.962 255 HB3 ALA 32 HB3 ALA 32 -3.121 -5.919 5.930 256 H ARG 33 HN ARG 33 -6.847 -4.982 4.808 257 HA ARG 33 HA ARG 33 -7.617 -7.070 6.549 258 HB2 ARG 33 HB2 ARG 33 -8.590 -4.632 6.067 259 HB3 ARG 33 HB1 ARG 33 -9.703 -5.564 5.072 260 HG2 ARG 33 HG2 ARG 33 -10.339 -6.899 6.998 261 HG3 ARG 33 HG1 ARG 33 -9.185 -6.019 8.002 262 HD2 ARG 33 HD2 ARG 33 -10.409 -3.946 7.591 263 HD3 ARG 33 HD1 ARG 33 -11.559 -4.823 6.583 264 HE ARG 33 HE ARG 33 -11.492 -6.063 9.077 265 HH11 ARG 33 HH12 ARG 33 -12.442 -3.010 7.688 266 HH12 ARG 33 HH11 ARG 33 -13.671 -2.709 8.871 267 HH21 ARG 33 HH21 ARG 33 -13.103 -5.676 10.637 268 HH22 ARG 33 HH22 ARG 33 -14.046 -4.226 10.549 269 H ARG 34 HN ARG 34 -7.926 -6.646 3.081 270 HA ARG 34 HA ARG 34 -9.709 -8.914 2.817 271 HB2 ARG 34 HB2 ARG 34 -8.542 -6.920 0.910 272 HB3 ARG 34 HB1 ARG 34 -9.240 -8.412 0.294 273 HG2 ARG 34 HG2 ARG 34 -11.051 -7.018 0.186 274 HG3 ARG 34 HG1 ARG 34 -11.278 -7.718 1.790 275 HD2 ARG 34 HD2 ARG 34 -10.222 -5.771 2.801 276 HD3 ARG 34 HD1 ARG 34 -9.938 -5.079 1.206 277 HE ARG 34 HE ARG 34 -12.655 -5.513 1.367 278 HH11 ARG 34 HH12 ARG 34 -10.269 -3.673 3.121 279 HH12 ARG 34 HH11 ARG 34 -11.381 -2.430 3.587 280 HH21 ARG 34 HH22 ARG 34 -14.129 -3.865 1.967 281 HH22 ARG 34 HH21 ARG 34 -13.573 -2.537 2.931 282 H LEU 35 HN LEU 35 -6.335 -8.400 2.896 283 HA LEU 35 HA LEU 35 -5.811 -10.881 1.422 284 HB2 LEU 35 HB2 LEU 35 -3.978 -8.690 2.375 285 HB3 LEU 35 HB1 LEU 35 -3.404 -10.180 1.651 286 HG LEU 35 HG LEU 35 -5.362 -8.472 0.160 287 HD11 LEU 35 HD11 LEU 35 -2.380 -8.043 0.251 288 HD12 LEU 35 HD12 LEU 35 -3.610 -6.939 0.865 289 HD13 LEU 35 HD13 LEU 35 -3.501 -7.265 -0.864 290 HD21 LEU 35 HD21 LEU 35 -3.118 -10.296 -0.694 291 HD22 LEU 35 HD22 LEU 35 -4.226 -9.444 -1.768 292 HD23 LEU 35 HD23 LEU 35 -4.834 -10.699 -0.689 293 H GLY 36 HN GLY 36 -6.013 -9.654 4.606 294 HA2 GLY 36 HA2 GLY 36 -5.979 -10.858 6.588 295 HA3 GLY 36 HA1 GLY 36 -5.402 -12.257 5.698 296 H LEU 37 HN LEU 37 -3.944 -9.024 5.831 297 HA LEU 37 HA LEU 37 -1.693 -10.166 7.342 298 HB2 LEU 37 HB2 LEU 37 -1.316 -8.252 5.055 299 HB3 LEU 37 HB1 LEU 37 -0.081 -9.110 5.947 300 HG LEU 37 HG LEU 37 -2.106 -10.697 4.435 301 HD11 LEU 37 HD11 LEU 37 -1.401 -9.035 2.819 302 HD12 LEU 37 HD12 LEU 37 -0.685 -10.601 2.436 303 HD13 LEU 37 HD13 LEU 37 0.293 -9.350 3.201 304 HD21 LEU 37 HD21 LEU 37 -0.525 -11.835 5.892 305 HD22 LEU 37 HD22 LEU 37 0.823 -11.073 5.050 306 HD23 LEU 37 HD23 LEU 37 -0.206 -12.226 4.201 307 H SER 38 HN SER 38 -0.105 -8.237 7.849 308 HA SER 38 HA SER 38 -1.745 -6.199 9.188 309 HB2 SER 38 HB2 SER 38 -0.302 -7.751 10.584 310 HB3 SER 38 HB1 SER 38 1.103 -6.971 9.859 311 HG SER 38 HG SER 38 0.124 -6.160 11.976 312 HA PRO 39 HA PRO 39 -0.079 -3.064 6.529 313 HB2 PRO 39 HB2 PRO 39 -0.313 -1.163 8.750 314 HB3 PRO 39 HB1 PRO 39 -1.182 -1.202 7.211 315 HG2 PRO 39 HG2 PRO 39 -2.384 -1.783 9.548 316 HG3 PRO 39 HG1 PRO 39 -2.854 -2.542 8.016 317 HD2 PRO 39 HD2 PRO 39 -1.220 -3.647 10.248 318 HD3 PRO 39 HD1 PRO 39 -2.420 -4.448 9.215 319 H GLU 40 HN GLU 40 1.342 -3.757 9.618 320 HA GLU 40 HA GLU 40 3.551 -1.950 9.394 321 HB2 GLU 40 HB2 GLU 40 2.937 -4.290 11.179 322 HB3 GLU 40 HB1 GLU 40 4.483 -3.456 11.254 323 HG2 GLU 40 HG2 GLU 40 3.330 -1.365 11.770 324 HG3 GLU 40 HG1 GLU 40 1.780 -2.201 11.689 325 H ASP 41 HN ASP 41 2.845 -5.057 8.116 326 HA ASP 41 HA ASP 41 5.653 -5.683 7.611 327 HB2 ASP 41 HB2 ASP 41 3.104 -7.244 7.176 328 HB3 ASP 41 HB1 ASP 41 4.673 -7.804 6.613 329 H ILE 42 HN ILE 42 2.777 -4.610 5.948 330 HA ILE 42 HA ILE 42 4.021 -4.949 3.338 331 HB ILE 42 HB ILE 42 1.435 -3.518 3.582 332 HG12 ILE 42 HG12 ILE 42 1.551 -6.522 3.865 333 HG13 ILE 42 HG11 ILE 42 1.373 -5.448 5.243 334 HG21 ILE 42 HG21 ILE 42 0.931 -4.822 1.576 335 HG22 ILE 42 HG22 ILE 42 2.460 -5.683 1.752 336 HG23 ILE 42 HG23 ILE 42 2.455 -3.952 1.416 337 HD11 ILE 42 HD11 ILE 42 -0.791 -6.170 4.702 338 HD12 ILE 42 HD12 ILE 42 -0.542 -5.889 2.978 339 HD13 ILE 42 HD13 ILE 42 -0.673 -4.522 4.086 340 H LYS 43 HN LYS 43 5.158 -3.432 2.389 341 HA LYS 43 HA LYS 43 4.795 -0.644 3.259 342 HB2 LYS 43 HB2 LYS 43 7.088 -2.087 3.461 343 HB3 LYS 43 HB1 LYS 43 7.301 -1.354 1.877 344 HG2 LYS 43 HG2 LYS 43 7.085 0.844 2.799 345 HG3 LYS 43 HG1 LYS 43 6.657 0.187 4.379 346 HD2 LYS 43 HD2 LYS 43 8.911 -0.935 4.396 347 HD3 LYS 43 HD1 LYS 43 9.307 0.007 2.957 348 HE2 LYS 43 HE2 LYS 43 8.923 2.072 4.194 349 HE3 LYS 43 HE1 LYS 43 8.477 1.145 5.625 350 HZ1 LYS 43 HZ1 LYS 43 10.712 0.240 5.698 351 HZ2 LYS 43 HZ2 LYS 43 10.762 1.930 5.739 352 HZ3 LYS 43 HZ3 LYS 43 11.140 1.108 4.309 353 H LEU 44 HN LEU 44 4.501 0.908 1.743 354 HA LEU 44 HA LEU 44 3.940 -0.027 -0.960 355 HB2 LEU 44 HB2 LEU 44 3.346 2.566 0.459 356 HB3 LEU 44 HB1 LEU 44 2.984 2.291 -1.233 357 HG LEU 44 HG LEU 44 1.698 0.185 -0.216 358 HD11 LEU 44 HD11 LEU 44 1.610 2.246 1.982 359 HD12 LEU 44 HD12 LEU 44 2.315 0.632 2.088 360 HD13 LEU 44 HD13 LEU 44 0.575 0.821 1.872 361 HD21 LEU 44 HD21 LEU 44 0.705 1.867 -1.643 362 HD22 LEU 44 HD22 LEU 44 0.649 3.009 -0.299 363 HD23 LEU 44 HD23 LEU 44 -0.346 1.553 -0.261 364 H THR 45 HN THR 45 5.185 0.434 -2.679 365 HA THR 45 HA THR 45 7.348 2.399 -2.295 366 HB THR 45 HB THR 45 7.729 0.139 -4.199 367 HG1 THR 45 HG1 THR 45 7.211 -0.241 -1.600 368 HG21 THR 45 HG21 THR 45 10.069 0.403 -3.499 369 HG22 THR 45 HG22 THR 45 9.577 1.630 -2.332 370 HG23 THR 45 HG23 THR 45 9.388 1.931 -4.059 371 H HIS 46 HN HIS 46 7.361 4.020 -3.677 372 HA HIS 46 HA HIS 46 6.185 3.655 -6.340 373 HB2 HIS 46 HB2 HIS 46 4.672 4.856 -4.591 374 HB3 HIS 46 HB1 HIS 46 5.765 6.216 -4.825 375 HD1 HIS 46 HD1 HIS 46 2.888 4.493 -6.324 376 HD2 HIS 46 HD2 HIS 46 5.745 7.265 -7.518 377 HE1 HIS 46 HE1 HIS 46 2.008 5.489 -8.459 378 HE2 HIS 46 HE2 HIS 46 3.756 7.163 -9.165 379 H ASN 47 HN ASN 47 7.585 4.182 -7.864 380 HA ASN 47 HA ASN 47 9.308 5.110 -9.004 381 HB2 ASN 47 HB2 ASN 47 7.967 7.209 -8.160 382 HB3 ASN 47 HB1 ASN 47 9.385 7.463 -7.152 383 HD21 ASN 47 HD21 ASN 47 10.104 9.277 -8.136 384 HD22 ASN 47 HD22 ASN 47 10.693 9.327 -9.759 385 H GLY 48 HN GLY 48 9.814 3.443 -6.598 386 HA2 GLY 48 HA2 GLY 48 11.876 2.530 -5.924 387 HA3 GLY 48 HA1 GLY 48 12.667 4.025 -6.392 388 H LYS 49 HN LYS 49 10.392 5.408 -4.784 389 HA LYS 49 HA LYS 49 11.837 5.289 -2.238 390 HB2 LYS 49 HB2 LYS 49 9.963 7.323 -3.439 391 HB3 LYS 49 HB1 LYS 49 10.465 7.392 -1.756 392 HG2 LYS 49 HG2 LYS 49 12.800 7.552 -2.459 393 HG3 LYS 49 HG1 LYS 49 12.294 7.489 -4.148 394 HD2 LYS 49 HD2 LYS 49 11.014 9.558 -3.827 395 HD3 LYS 49 HD1 LYS 49 11.542 9.620 -2.145 396 HE2 LYS 49 HE2 LYS 49 13.474 9.552 -4.447 397 HE3 LYS 49 HE1 LYS 49 12.822 11.059 -3.806 398 HZ1 LYS 49 HZ1 LYS 49 14.950 10.555 -2.812 399 HZ2 LYS 49 HZ2 LYS 49 14.391 9.050 -2.283 400 HZ3 LYS 49 HZ3 LYS 49 13.737 10.468 -1.636 401 H THR 50 HN THR 50 10.763 5.066 -0.256 402 HA THR 50 HA THR 50 8.277 3.541 -0.458 403 HB THR 50 HB THR 50 8.785 3.061 2.025 404 HG1 THR 50 HG1 THR 50 11.073 4.452 1.198 405 HG21 THR 50 HG21 THR 50 10.579 2.050 -0.183 406 HG22 THR 50 HG22 THR 50 9.036 1.365 0.327 407 HG23 THR 50 HG23 THR 50 10.429 1.300 1.406 408 H LEU 51 HN LEU 51 6.537 3.913 0.975 409 HA LEU 51 HA LEU 51 6.245 6.751 1.667 410 HB2 LEU 51 HB2 LEU 51 4.258 4.575 1.073 411 HB3 LEU 51 HB1 LEU 51 3.778 6.107 1.778 412 HG LEU 51 HG LEU 51 5.105 7.059 -0.325 413 HD11 LEU 51 HD11 LEU 51 4.687 5.666 -2.293 414 HD12 LEU 51 HD12 LEU 51 4.098 4.371 -1.250 415 HD13 LEU 51 HD13 LEU 51 5.785 4.878 -1.159 416 HD21 LEU 51 HD21 LEU 51 2.280 6.034 -0.226 417 HD22 LEU 51 HD22 LEU 51 2.900 7.042 -1.534 418 HD23 LEU 51 HD23 LEU 51 2.860 7.665 0.117 419 H ASP 52 HN ASP 52 5.827 7.423 3.698 420 HA ASP 52 HA ASP 52 6.099 5.463 5.825 421 HB2 ASP 52 HB2 ASP 52 7.265 7.831 5.607 422 HB3 ASP 52 HB1 ASP 52 5.780 8.379 6.382 423 HA PRO 53 HA PRO 53 1.743 5.266 6.693 424 HB2 PRO 53 HB2 PRO 53 2.492 4.680 9.476 425 HB3 PRO 53 HB1 PRO 53 1.636 3.667 8.307 426 HG2 PRO 53 HG2 PRO 53 4.153 3.133 9.065 427 HG3 PRO 53 HG1 PRO 53 3.562 2.791 7.428 428 HD2 PRO 53 HD2 PRO 53 5.286 5.025 8.385 429 HD3 PRO 53 HD1 PRO 53 5.359 4.103 6.870 430 H SER 54 HN SER 54 3.913 7.277 8.545 431 HA SER 54 HA SER 54 1.860 8.539 10.105 432 HB2 SER 54 HB2 SER 54 4.740 9.320 9.635 433 HB3 SER 54 HB1 SER 54 3.670 10.051 10.830 434 HG SER 54 HG SER 54 4.709 7.426 10.755 435 H LEU 55 HN LEU 55 3.283 9.115 6.979 436 HA LEU 55 HA LEU 55 2.403 11.844 6.876 437 HB2 LEU 55 HB2 LEU 55 3.794 9.975 5.004 438 HB3 LEU 55 HB1 LEU 55 3.237 11.532 4.492 439 HG LEU 55 HG LEU 55 5.040 11.296 6.865 440 HD11 LEU 55 HD11 LEU 55 6.975 11.544 5.450 441 HD12 LEU 55 HD12 LEU 55 5.962 11.528 4.005 442 HD13 LEU 55 HD13 LEU 55 6.101 10.077 5.002 443 HD21 LEU 55 HD21 LEU 55 5.715 13.557 6.130 444 HD22 LEU 55 HD22 LEU 55 4.000 13.442 6.522 445 HD23 LEU 55 HD23 LEU 55 4.519 13.465 4.837 446 H THR 56 HN THR 56 1.465 12.246 4.453 447 HA THR 56 HA THR 56 -1.016 10.660 4.341 448 HB THR 56 HB THR 56 -2.140 12.663 3.430 449 HG1 THR 56 HG1 THR 56 -0.485 14.581 4.184 450 HG21 THR 56 HG21 THR 56 -2.040 14.044 5.551 451 HG22 THR 56 HG22 THR 56 -0.804 12.919 6.116 452 HG23 THR 56 HG23 THR 56 -2.429 12.336 5.759 453 H LEU 57 HN LEU 57 -2.070 10.589 2.211 454 HA LEU 57 HA LEU 57 -0.208 9.776 0.204 455 HB2 LEU 57 HB2 LEU 57 -3.208 10.025 0.237 456 HB3 LEU 57 HB1 LEU 57 -2.317 9.434 -1.153 457 HG LEU 57 HG LEU 57 -1.951 8.127 1.517 458 HD11 LEU 57 HD11 LEU 57 -3.752 6.565 0.971 459 HD12 LEU 57 HD12 LEU 57 -4.179 7.551 -0.427 460 HD13 LEU 57 HD13 LEU 57 -4.354 8.206 1.201 461 HD21 LEU 57 HD21 LEU 57 -0.438 7.533 -0.300 462 HD22 LEU 57 HD22 LEU 57 -1.814 7.112 -1.318 463 HD23 LEU 57 HD23 LEU 57 -1.475 6.175 0.135 464 H ALA 58 HN ALA 58 -2.094 12.660 0.776 465 HA ALA 58 HA ALA 58 -1.721 13.691 -1.889 466 HB1 ALA 58 HB1 ALA 58 -2.886 15.664 -1.084 467 HB2 ALA 58 HB2 ALA 58 -2.772 15.068 0.574 468 HB3 ALA 58 HB3 ALA 58 -3.745 14.198 -0.613 469 H GLU 59 HN GLU 59 0.278 13.505 0.799 470 HA GLU 59 HA GLU 59 1.591 16.061 0.440 471 HB2 GLU 59 HB2 GLU 59 1.377 14.406 2.577 472 HB3 GLU 59 HB1 GLU 59 2.958 13.932 1.971 473 HG2 GLU 59 HG2 GLU 59 2.392 16.829 2.282 474 HG3 GLU 59 HG1 GLU 59 2.657 15.870 3.736 475 H TYR 60 HN TYR 60 1.986 12.754 -0.547 476 HA TYR 60 HA TYR 60 4.652 13.108 -1.549 477 HB2 TYR 60 HB2 TYR 60 2.676 10.891 -1.382 478 HB3 TYR 60 HB1 TYR 60 3.948 10.764 -2.581 479 HD1 TYR 60 HD1 TYR 60 6.316 10.662 -1.870 480 HD2 TYR 60 HD2 TYR 60 3.133 10.649 0.957 481 HE1 TYR 60 HE1 TYR 60 7.861 9.851 -0.136 482 HE2 TYR 60 HE2 TYR 60 4.670 9.839 2.695 483 HH TYR 60 HH TYR 60 6.744 8.788 2.968 484 H GLY 61 HN GLY 61 1.468 13.592 -2.760 485 HA2 GLY 61 HA2 GLY 61 0.895 14.632 -4.767 486 HA3 GLY 61 HA1 GLY 61 2.554 14.437 -5.311 487 H ILE 62 HN ILE 62 0.178 12.027 -4.206 488 HA ILE 62 HA ILE 62 0.702 10.514 -6.661 489 HB ILE 62 HB ILE 62 -0.898 9.517 -4.318 490 HG12 ILE 62 HG12 ILE 62 1.958 8.761 -4.528 491 HG13 ILE 62 HG11 ILE 62 1.628 10.397 -3.964 492 HG21 ILE 62 HG21 ILE 62 0.730 8.101 -6.423 493 HG22 ILE 62 HG22 ILE 62 -1.026 8.235 -6.392 494 HG23 ILE 62 HG23 ILE 62 -0.189 7.327 -5.133 495 HD11 ILE 62 HD11 ILE 62 1.863 8.878 -2.099 496 HD12 ILE 62 HD12 ILE 62 0.584 7.852 -2.747 497 HD13 ILE 62 HD13 ILE 62 0.211 9.483 -2.192 498 H THR 63 HN THR 63 -0.840 9.979 -8.116 499 HA THR 63 HA THR 63 -3.554 11.013 -7.651 500 HB THR 63 HB THR 63 -3.633 11.362 -10.184 501 HG1 THR 63 HG1 THR 63 -1.312 11.892 -10.874 502 HG21 THR 63 HG21 THR 63 -2.573 13.577 -10.023 503 HG22 THR 63 HG22 THR 63 -1.779 13.082 -8.528 504 HG23 THR 63 HG23 THR 63 -3.536 13.216 -8.592 505 HA PRO 64 HA PRO 64 -5.051 7.004 -8.739 506 HB2 PRO 64 HB2 PRO 64 -7.304 8.137 -10.210 507 HB3 PRO 64 HB1 PRO 64 -7.300 7.286 -8.662 508 HG2 PRO 64 HG2 PRO 64 -7.828 9.923 -8.850 509 HG3 PRO 64 HG1 PRO 64 -7.042 9.199 -7.435 510 HD2 PRO 64 HD2 PRO 64 -5.822 10.721 -9.695 511 HD3 PRO 64 HD1 PRO 64 -5.452 10.783 -7.960 512 H GLY 65 HN GLY 65 -5.039 5.505 -10.385 513 HA2 GLY 65 HA2 GLY 65 -5.194 4.856 -12.680 514 HA3 GLY 65 HA1 GLY 65 -4.798 6.506 -13.138 515 H SER 66 HN SER 66 -2.828 5.553 -10.626 516 HA SER 66 HA SER 66 -0.635 4.997 -12.495 517 HB2 SER 66 HB2 SER 66 -0.535 5.913 -9.609 518 HB3 SER 66 HB1 SER 66 0.864 5.674 -10.653 519 HG SER 66 HG SER 66 0.443 7.498 -11.645 520 H THR 67 HN THR 67 1.040 3.471 -11.749 521 HA THR 67 HA THR 67 -0.213 1.044 -10.752 522 HB THR 67 HB THR 67 2.098 0.068 -11.363 523 HG1 THR 67 HG1 THR 67 2.544 2.013 -13.201 524 HG21 THR 67 HG21 THR 67 0.057 -0.228 -12.714 525 HG22 THR 67 HG22 THR 67 1.500 -0.085 -13.720 526 HG23 THR 67 HG23 THR 67 0.402 1.287 -13.546 527 H ILE 68 HN ILE 68 -0.044 0.407 -8.698 528 HA ILE 68 HA ILE 68 2.165 1.508 -7.087 529 HB ILE 68 HB ILE 68 -0.333 0.389 -5.863 530 HG12 ILE 68 HG12 ILE 68 -1.056 2.123 -7.471 531 HG13 ILE 68 HG11 ILE 68 -1.328 2.616 -5.805 532 HG21 ILE 68 HG21 ILE 68 0.278 1.914 -4.032 533 HG22 ILE 68 HG22 ILE 68 1.703 2.409 -4.943 534 HG23 ILE 68 HG23 ILE 68 1.543 0.742 -4.392 535 HD11 ILE 68 HD11 ILE 68 0.737 3.972 -5.920 536 HD12 ILE 68 HD12 ILE 68 -0.506 4.477 -7.067 537 HD13 ILE 68 HD13 ILE 68 0.880 3.538 -7.623 538 H THR 69 HN THR 69 3.682 0.113 -6.554 539 HA THR 69 HA THR 69 3.048 -2.750 -6.494 540 HB THR 69 HB THR 69 5.735 -2.713 -6.469 541 HG1 THR 69 HG1 THR 69 6.426 -0.770 -6.931 542 HG21 THR 69 HG21 THR 69 4.003 -2.405 -8.924 543 HG22 THR 69 HG22 THR 69 4.352 -3.915 -8.081 544 HG23 THR 69 HG23 THR 69 5.644 -3.048 -8.909 545 H LEU 70 HN LEU 70 2.996 -3.731 -4.576 546 HA LEU 70 HA LEU 70 4.059 -2.307 -2.249 547 HB2 LEU 70 HB2 LEU 70 2.710 -3.825 -0.913 548 HB3 LEU 70 HB1 LEU 70 1.737 -3.041 -2.144 549 HG LEU 70 HG LEU 70 2.568 -5.414 -3.334 550 HD11 LEU 70 HD11 LEU 70 1.760 -5.893 -0.471 551 HD12 LEU 70 HD12 LEU 70 3.299 -6.317 -1.224 552 HD13 LEU 70 HD13 LEU 70 1.816 -7.129 -1.728 553 HD21 LEU 70 HD21 LEU 70 0.421 -4.381 -3.662 554 HD22 LEU 70 HD22 LEU 70 -0.018 -4.671 -1.978 555 HD23 LEU 70 HD23 LEU 70 0.185 -6.031 -3.084 556 H GLU 71 HN GLU 71 5.186 -3.510 -0.586 557 HA GLU 71 HA GLU 71 6.617 -5.898 -1.496 558 HB2 GLU 71 HB2 GLU 71 7.882 -3.323 -0.567 559 HB3 GLU 71 HB1 GLU 71 8.736 -4.859 -0.494 560 HG2 GLU 71 HG2 GLU 71 7.525 -3.901 -3.056 561 HG3 GLU 71 HG1 GLU 71 9.103 -3.320 -2.524 562 H ILE 72 HN ILE 72 7.419 -7.214 0.203 563 HA ILE 72 HA ILE 72 6.412 -6.503 2.883 564 HB ILE 72 HB ILE 72 6.510 -9.328 1.821 565 HG12 ILE 72 HG12 ILE 72 3.846 -8.740 2.076 566 HG13 ILE 72 HG11 ILE 72 4.483 -7.227 1.437 567 HG21 ILE 72 HG21 ILE 72 5.060 -9.812 3.730 568 HG22 ILE 72 HG22 ILE 72 5.134 -8.117 4.216 569 HG23 ILE 72 HG23 ILE 72 6.592 -9.108 4.246 570 HD11 ILE 72 HD11 ILE 72 5.406 -8.390 -0.469 571 HD12 ILE 72 HD12 ILE 72 3.685 -8.737 -0.318 572 HD13 ILE 72 HD13 ILE 72 4.874 -9.938 0.187 573 H LYS 73 HN LYS 73 7.713 -6.980 4.620 574 HA LYS 73 HA LYS 73 10.363 -8.100 3.987 575 HB2 LYS 73 HB2 LYS 73 9.627 -5.744 5.703 576 HB3 LYS 73 HB1 LYS 73 11.154 -6.592 5.919 577 HG2 LYS 73 HG2 LYS 73 11.750 -6.117 3.602 578 HG3 LYS 73 HG1 LYS 73 10.218 -5.271 3.380 579 HD2 LYS 73 HD2 LYS 73 10.870 -3.669 5.125 580 HD3 LYS 73 HD1 LYS 73 12.414 -4.508 5.306 581 HE2 LYS 73 HE2 LYS 73 11.477 -3.354 2.690 582 HE3 LYS 73 HE1 LYS 73 12.420 -2.427 3.858 583 HZ1 LYS 73 HZ1 LYS 73 13.842 -3.420 2.186 584 HZ2 LYS 73 HZ2 LYS 73 13.264 -4.965 2.564 585 HZ3 LYS 73 HZ3 LYS 73 14.168 -4.097 3.701 586 H LYS 74 HN LYS 74 11.183 -9.615 5.325 587 HA LYS 74 HA LYS 74 9.532 -10.384 7.643 588 HB2 LYS 74 HB2 LYS 74 11.066 -12.067 5.675 589 HB3 LYS 74 HB1 LYS 74 10.589 -12.691 7.247 590 HG2 LYS 74 HG2 LYS 74 8.245 -12.266 6.705 591 HG3 LYS 74 HG1 LYS 74 8.727 -11.650 5.122 592 HD2 LYS 74 HD2 LYS 74 9.707 -13.834 4.582 593 HD3 LYS 74 HD1 LYS 74 9.200 -14.445 6.158 594 HE2 LYS 74 HE2 LYS 74 7.565 -15.185 4.633 595 HE3 LYS 74 HE1 LYS 74 6.839 -13.820 5.482 596 HZ1 LYS 74 HZ1 LYS 74 8.088 -13.717 2.788 597 HZ2 LYS 74 HZ2 LYS 74 7.390 -12.407 3.602 598 HZ3 LYS 74 HZ3 LYS 74 6.425 -13.707 3.109 599 H LYS 75 HN LYS 75 10.544 -10.877 9.565 600 HA LYS 75 HA LYS 75 13.460 -10.487 9.663 601 HB2 LYS 75 HB2 LYS 75 11.349 -9.239 11.407 602 HB3 LYS 75 HB1 LYS 75 13.012 -9.405 11.953 603 HG2 LYS 75 HG2 LYS 75 13.771 -8.072 10.053 604 HG3 LYS 75 HG1 LYS 75 12.101 -7.906 9.504 605 HD2 LYS 75 HD2 LYS 75 11.539 -6.770 11.610 606 HD3 LYS 75 HD1 LYS 75 13.218 -6.916 12.128 607 HE2 LYS 75 HE2 LYS 75 13.923 -5.566 10.209 608 HE3 LYS 75 HE1 LYS 75 12.242 -5.419 9.699 609 HZ1 LYS 75 HZ1 LYS 75 12.974 -3.462 10.909 610 HZ2 LYS 75 HZ2 LYS 75 13.365 -4.406 12.256 611 HZ3 LYS 75 HZ3 LYS 75 11.752 -4.261 11.763 612 H GLY 76 HN GLY 76 14.573 -11.914 10.888 613 HA2 GLY 76 HA2 GLY 76 14.074 -13.209 13.156 614 HA3 GLY 76 HA1 GLY 76 13.047 -14.113 12.053 615 H GLY 77 HN GLY 77 16.388 -12.864 12.149 616 HA2 GLY 77 HA2 GLY 77 17.809 -15.156 12.263 617 HA3 GLY 77 HA1 GLY 77 17.324 -15.102 10.575 618 H LEU 78 HN LEU 78 19.988 -14.950 11.778 619 HA LEU 78 HA LEU 78 20.801 -12.228 11.047 620 HB2 LEU 78 HB2 LEU 78 22.248 -14.413 12.540 621 HB3 LEU 78 HB1 LEU 78 22.999 -12.902 12.066 622 HG LEU 78 HG LEU 78 20.502 -12.794 13.696 623 HD11 LEU 78 HD11 LEU 78 21.825 -12.943 15.754 624 HD12 LEU 78 HD12 LEU 78 23.239 -13.397 14.804 625 HD13 LEU 78 HD13 LEU 78 21.833 -14.459 14.853 626 HD21 LEU 78 HD21 LEU 78 21.482 -10.738 12.831 627 HD22 LEU 78 HD22 LEU 78 23.018 -11.131 13.605 628 HD23 LEU 78 HD23 LEU 78 21.595 -10.798 14.592 629 H GLU 79 HN GLU 79 21.985 -11.817 9.288 630 HA GLU 79 HA GLU 79 22.676 -14.080 7.562 631 HB2 GLU 79 HB2 GLU 79 22.170 -11.163 7.008 632 HB3 GLU 79 HB1 GLU 79 22.917 -12.218 5.817 633 HG2 GLU 79 HG2 GLU 79 20.947 -13.662 5.858 634 HG3 GLU 79 HG1 GLU 79 20.199 -12.603 7.051 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -11.061 10.666 -11.748 2 H2 MET 1 HT2 MET 1 -9.991 10.320 -13.010 3 H3 MET 1 HT3 MET 1 -9.393 10.824 -11.510 4 HA MET 1 HA MET 1 -10.846 8.299 -12.028 5 HB2 MET 1 HB2 MET 1 -7.925 8.918 -11.602 6 HB3 MET 1 HB1 MET 1 -8.589 7.308 -11.364 7 HG2 MET 1 HG2 MET 1 -8.714 8.869 -13.935 8 HG3 MET 1 HG1 MET 1 -7.545 7.601 -13.567 9 HE1 MET 1 HE1 MET 1 -8.787 5.183 -12.415 10 HE2 MET 1 HE2 MET 1 -7.926 5.143 -13.953 11 HE3 MET 1 HE3 MET 1 -9.493 4.350 -13.800 12 H ASP 2 HN ASP 2 -10.936 6.880 -10.225 13 HA ASP 2 HA ASP 2 -10.489 8.115 -7.600 14 HB2 ASP 2 HB2 ASP 2 -13.063 6.907 -8.606 15 HB3 ASP 2 HB1 ASP 2 -12.720 7.090 -6.889 16 H THR 3 HN THR 3 -10.224 5.450 -9.638 17 HA THR 3 HA THR 3 -9.823 3.606 -7.378 18 HB THR 3 HB THR 3 -9.944 1.807 -9.196 19 HG1 THR 3 HG1 THR 3 -11.401 3.696 -10.692 20 HG21 THR 3 HG21 THR 3 -12.398 1.799 -9.194 21 HG22 THR 3 HG22 THR 3 -12.402 3.472 -8.637 22 HG23 THR 3 HG23 THR 3 -11.755 2.199 -7.601 23 H ILE 4 HN ILE 4 -8.002 2.233 -7.380 24 HA ILE 4 HA ILE 4 -5.811 3.013 -9.186 25 HB ILE 4 HB ILE 4 -4.254 2.622 -7.198 26 HG12 ILE 4 HG12 ILE 4 -6.612 3.373 -5.497 27 HG13 ILE 4 HG11 ILE 4 -6.291 1.678 -5.846 28 HG21 ILE 4 HG21 ILE 4 -4.617 4.819 -8.144 29 HG22 ILE 4 HG22 ILE 4 -4.533 4.932 -6.385 30 HG23 ILE 4 HG23 ILE 4 -6.095 5.010 -7.200 31 HD11 ILE 4 HD11 ILE 4 -4.024 1.965 -4.902 32 HD12 ILE 4 HD12 ILE 4 -5.318 2.249 -3.739 33 HD13 ILE 4 HD13 ILE 4 -4.460 3.614 -4.454 34 H ASN 5 HN ASN 5 -4.194 1.405 -9.517 35 HA ASN 5 HA ASN 5 -5.243 -1.314 -9.180 36 HB2 ASN 5 HB2 ASN 5 -4.702 -1.529 -11.349 37 HB3 ASN 5 HB1 ASN 5 -3.976 0.067 -11.360 38 HD21 ASN 5 HD21 ASN 5 -1.840 0.257 -11.440 39 HD22 ASN 5 HD22 ASN 5 -0.748 -1.078 -11.501 40 H ILE 6 HN ILE 6 -4.177 -2.823 -8.044 41 HA ILE 6 HA ILE 6 -1.656 -1.994 -6.763 42 HB ILE 6 HB ILE 6 -3.336 -4.205 -5.651 43 HG12 ILE 6 HG12 ILE 6 -4.911 -2.319 -5.974 44 HG13 ILE 6 HG11 ILE 6 -4.617 -2.653 -4.272 45 HG21 ILE 6 HG21 ILE 6 -1.135 -3.850 -4.728 46 HG22 ILE 6 HG22 ILE 6 -2.365 -3.426 -3.535 47 HG23 ILE 6 HG23 ILE 6 -1.512 -2.157 -4.413 48 HD11 ILE 6 HD11 ILE 6 -3.025 -0.763 -4.223 49 HD12 ILE 6 HD12 ILE 6 -4.673 -0.284 -4.629 50 HD13 ILE 6 HD13 ILE 6 -3.454 -0.406 -5.895 51 H THR 7 HN THR 7 0.035 -2.944 -7.697 52 HA THR 7 HA THR 7 -0.282 -5.582 -8.915 53 HB THR 7 HB THR 7 2.297 -4.081 -9.044 54 HG1 THR 7 HG1 THR 7 -0.119 -3.403 -10.379 55 HG21 THR 7 HG21 THR 7 2.110 -6.298 -10.064 56 HG22 THR 7 HG22 THR 7 2.343 -5.059 -11.298 57 HG23 THR 7 HG23 THR 7 0.742 -5.746 -11.028 58 H LEU 8 HN LEU 8 0.258 -7.340 -7.830 59 HA LEU 8 HA LEU 8 2.003 -7.118 -5.500 60 HB2 LEU 8 HB2 LEU 8 -0.379 -8.478 -6.071 61 HB3 LEU 8 HB1 LEU 8 0.846 -9.704 -5.991 62 HG LEU 8 HG LEU 8 1.458 -8.426 -3.733 63 HD11 LEU 8 HD11 LEU 8 -0.243 -6.702 -4.039 64 HD12 LEU 8 HD12 LEU 8 -0.562 -7.670 -2.602 65 HD13 LEU 8 HD13 LEU 8 -1.500 -7.940 -4.073 66 HD21 LEU 8 HD21 LEU 8 -0.790 -10.410 -4.065 67 HD22 LEU 8 HD22 LEU 8 0.046 -10.056 -2.553 68 HD23 LEU 8 HD23 LEU 8 0.927 -10.782 -3.897 69 HA PRO 9 HA PRO 9 5.278 -9.383 -7.489 70 HB2 PRO 9 HB2 PRO 9 5.738 -11.040 -5.125 71 HB3 PRO 9 HB1 PRO 9 6.752 -9.762 -5.804 72 HG2 PRO 9 HG2 PRO 9 5.450 -9.469 -3.461 73 HG3 PRO 9 HG1 PRO 9 5.778 -8.114 -4.557 74 HD2 PRO 9 HD2 PRO 9 3.239 -9.632 -4.149 75 HD3 PRO 9 HD1 PRO 9 3.494 -7.891 -4.391 76 H ASP 10 HN ASP 10 2.417 -10.812 -6.574 77 HA ASP 10 HA ASP 10 3.163 -13.540 -7.291 78 HB2 ASP 10 HB2 ASP 10 1.474 -12.742 -5.427 79 HB3 ASP 10 HB1 ASP 10 0.340 -12.702 -6.773 80 H GLY 11 HN GLY 11 1.900 -10.714 -8.742 81 HA2 GLY 11 HA2 GLY 11 1.795 -10.516 -11.119 82 HA3 GLY 11 HA1 GLY 11 1.411 -12.226 -11.213 83 H LYS 12 HN LYS 12 -0.386 -10.839 -8.748 84 HA LYS 12 HA LYS 12 -2.690 -10.591 -10.557 85 HB2 LYS 12 HB2 LYS 12 -4.089 -11.015 -8.540 86 HB3 LYS 12 HB1 LYS 12 -3.032 -12.352 -8.963 87 HG2 LYS 12 HG2 LYS 12 -1.459 -11.616 -7.204 88 HG3 LYS 12 HG1 LYS 12 -2.609 -10.356 -6.748 89 HD2 LYS 12 HD2 LYS 12 -4.296 -12.097 -6.299 90 HD3 LYS 12 HD1 LYS 12 -3.101 -13.335 -6.692 91 HE2 LYS 12 HE2 LYS 12 -1.682 -12.517 -4.856 92 HE3 LYS 12 HE1 LYS 12 -2.915 -11.322 -4.453 93 HZ1 LYS 12 HZ1 LYS 12 -3.071 -13.271 -3.034 94 HZ2 LYS 12 HZ2 LYS 12 -3.281 -14.269 -4.382 95 HZ3 LYS 12 HZ3 LYS 12 -4.458 -13.121 -3.989 96 H THR 13 HN THR 13 -4.102 -8.870 -10.390 97 HA THR 13 HA THR 13 -3.045 -6.545 -8.929 98 HB THR 13 HB THR 13 -4.370 -5.205 -10.649 99 HG1 THR 13 HG1 THR 13 -4.669 -6.431 -12.649 100 HG21 THR 13 HG21 THR 13 -2.589 -5.383 -12.336 101 HG22 THR 13 HG22 THR 13 -2.045 -6.890 -11.598 102 HG23 THR 13 HG23 THR 13 -1.930 -5.376 -10.701 103 H LEU 14 HN LEU 14 -4.427 -5.201 -7.825 104 HA LEU 14 HA LEU 14 -7.172 -6.188 -7.406 105 HB2 LEU 14 HB2 LEU 14 -5.349 -6.454 -5.520 106 HB3 LEU 14 HB1 LEU 14 -5.682 -4.756 -5.246 107 HG LEU 14 HG LEU 14 -8.064 -6.495 -5.372 108 HD11 LEU 14 HD11 LEU 14 -6.097 -6.681 -3.097 109 HD12 LEU 14 HD12 LEU 14 -6.560 -7.983 -4.194 110 HD13 LEU 14 HD13 LEU 14 -7.746 -7.307 -3.076 111 HD21 LEU 14 HD21 LEU 14 -8.728 -5.101 -3.471 112 HD22 LEU 14 HD22 LEU 14 -8.208 -4.120 -4.841 113 HD23 LEU 14 HD23 LEU 14 -7.131 -4.351 -3.463 114 H THR 15 HN THR 15 -8.772 -4.596 -6.980 115 HA THR 15 HA THR 15 -7.958 -1.872 -7.751 116 HB THR 15 HB THR 15 -10.784 -2.766 -8.101 117 HG1 THR 15 HG1 THR 15 -9.370 -4.372 -9.103 118 HG21 THR 15 HG21 THR 15 -8.962 -0.913 -9.638 119 HG22 THR 15 HG22 THR 15 -10.190 -0.430 -8.470 120 HG23 THR 15 HG23 THR 15 -10.667 -1.192 -9.988 121 H LEU 16 HN LEU 16 -8.164 -0.403 -6.219 122 HA LEU 16 HA LEU 16 -10.286 -0.721 -4.211 123 HB2 LEU 16 HB2 LEU 16 -7.976 -1.411 -3.392 124 HB3 LEU 16 HB1 LEU 16 -7.520 0.274 -3.547 125 HG LEU 16 HG LEU 16 -9.644 0.632 -1.996 126 HD11 LEU 16 HD11 LEU 16 -10.324 -1.697 -1.956 127 HD12 LEU 16 HD12 LEU 16 -9.822 -1.179 -0.346 128 HD13 LEU 16 HD13 LEU 16 -8.744 -2.170 -1.332 129 HD21 LEU 16 HD21 LEU 16 -8.142 0.580 -0.064 130 HD22 LEU 16 HD22 LEU 16 -7.362 1.311 -1.468 131 HD23 LEU 16 HD23 LEU 16 -6.966 -0.343 -1.001 132 H THR 17 HN THR 17 -11.275 1.167 -3.544 133 HA THR 17 HA THR 17 -10.572 3.539 -5.098 134 HB THR 17 HB THR 17 -12.854 2.806 -5.426 135 HG1 THR 17 HG1 THR 17 -12.795 5.161 -3.823 136 HG21 THR 17 HG21 THR 17 -13.226 1.662 -3.335 137 HG22 THR 17 HG22 THR 17 -14.466 2.894 -3.564 138 HG23 THR 17 HG23 THR 17 -13.126 3.185 -2.455 139 H VAL 18 HN VAL 18 -9.913 5.384 -4.177 140 HA VAL 18 HA VAL 18 -10.221 5.788 -1.306 141 HB VAL 18 HB VAL 18 -7.730 6.509 -1.237 142 HG11 VAL 18 HG11 VAL 18 -8.646 4.660 0.063 143 HG12 VAL 18 HG12 VAL 18 -7.031 4.283 -0.533 144 HG13 VAL 18 HG13 VAL 18 -8.445 3.582 -1.320 145 HG21 VAL 18 HG21 VAL 18 -7.268 6.296 -3.612 146 HG22 VAL 18 HG22 VAL 18 -7.651 4.574 -3.550 147 HG23 VAL 18 HG23 VAL 18 -6.246 5.200 -2.686 148 H THR 19 HN THR 19 -9.062 7.986 -0.742 149 HA THR 19 HA THR 19 -9.401 9.889 -2.955 150 HB THR 19 HB THR 19 -10.494 11.480 -1.277 151 HG1 THR 19 HG1 THR 19 -11.465 10.553 0.509 152 HG21 THR 19 HG21 THR 19 -12.011 9.016 -2.138 153 HG22 THR 19 HG22 THR 19 -11.765 10.481 -3.089 154 HG23 THR 19 HG23 THR 19 -12.743 10.535 -1.623 155 HA PRO 20 HA PRO 20 -5.766 11.905 -1.467 156 HB2 PRO 20 HB2 PRO 20 -7.169 14.507 -1.358 157 HB3 PRO 20 HB1 PRO 20 -5.770 14.023 -2.326 158 HG2 PRO 20 HG2 PRO 20 -8.145 14.369 -3.471 159 HG3 PRO 20 HG1 PRO 20 -7.059 13.059 -3.984 160 HD2 PRO 20 HD2 PRO 20 -9.473 12.926 -2.229 161 HD3 PRO 20 HD1 PRO 20 -8.951 11.821 -3.517 162 H GLU 21 HN GLU 21 -8.660 12.124 0.369 163 HA GLU 21 HA GLU 21 -7.454 13.487 2.616 164 HB2 GLU 21 HB2 GLU 21 -10.005 13.331 1.697 165 HB3 GLU 21 HB1 GLU 21 -10.038 12.119 2.965 166 HG2 GLU 21 HG2 GLU 21 -8.853 14.757 3.613 167 HG3 GLU 21 HG1 GLU 21 -10.600 14.669 3.414 168 H PHE 22 HN PHE 22 -7.656 10.316 1.442 169 HA PHE 22 HA PHE 22 -7.660 8.932 3.927 170 HB2 PHE 22 HB2 PHE 22 -7.455 8.294 1.059 171 HB3 PHE 22 HB1 PHE 22 -6.620 7.197 2.117 172 HD1 PHE 22 HD1 PHE 22 -9.908 8.886 1.805 173 HD2 PHE 22 HD2 PHE 22 -7.780 5.388 2.957 174 HE1 PHE 22 HE1 PHE 22 -12.040 7.754 2.282 175 HE2 PHE 22 HE2 PHE 22 -9.907 4.249 3.438 176 HZ PHE 22 HZ PHE 22 -12.040 5.432 3.099 177 H THR 23 HN THR 23 -5.956 8.304 5.141 178 HA THR 23 HA THR 23 -3.368 9.446 4.510 179 HB THR 23 HB THR 23 -2.714 8.425 6.747 180 HG1 THR 23 HG1 THR 23 -5.172 8.225 7.751 181 HG21 THR 23 HG21 THR 23 -3.240 10.760 6.626 182 HG22 THR 23 HG22 THR 23 -4.036 10.102 8.054 183 HG23 THR 23 HG23 THR 23 -4.970 10.422 6.592 184 H VAL 24 HN VAL 24 -1.394 7.995 4.991 185 HA VAL 24 HA VAL 24 -1.429 5.825 3.164 186 HB VAL 24 HB VAL 24 0.679 6.375 5.261 187 HG11 VAL 24 HG11 VAL 24 0.892 5.015 2.575 188 HG12 VAL 24 HG12 VAL 24 0.829 4.187 4.131 189 HG13 VAL 24 HG13 VAL 24 2.191 5.240 3.748 190 HG21 VAL 24 HG21 VAL 24 1.817 7.709 3.549 191 HG22 VAL 24 HG22 VAL 24 0.249 8.397 3.974 192 HG23 VAL 24 HG23 VAL 24 0.440 7.495 2.471 193 H LYS 25 HN LYS 25 -1.745 6.090 6.639 194 HA LYS 25 HA LYS 25 -1.495 3.308 7.216 195 HB2 LYS 25 HB2 LYS 25 -1.354 5.460 8.758 196 HB3 LYS 25 HB1 LYS 25 -3.068 5.131 8.979 197 HG2 LYS 25 HG2 LYS 25 -2.551 2.895 9.781 198 HG3 LYS 25 HG1 LYS 25 -0.831 3.191 9.524 199 HD2 LYS 25 HD2 LYS 25 -0.900 5.012 11.159 200 HD3 LYS 25 HD1 LYS 25 -2.623 4.717 11.414 201 HE2 LYS 25 HE2 LYS 25 -0.549 2.584 11.829 202 HE3 LYS 25 HE1 LYS 25 -1.010 3.708 13.106 203 HZ1 LYS 25 HZ1 LYS 25 -2.269 1.668 13.267 204 HZ2 LYS 25 HZ2 LYS 25 -2.833 1.847 11.683 205 HZ3 LYS 25 HZ3 LYS 25 -3.303 2.948 12.876 206 H GLU 26 HN GLU 26 -4.139 5.436 6.347 207 HA GLU 26 HA GLU 26 -6.241 3.629 7.013 208 HB2 GLU 26 HB2 GLU 26 -6.178 6.257 6.470 209 HB3 GLU 26 HB1 GLU 26 -6.674 5.656 4.893 210 HG2 GLU 26 HG2 GLU 26 -8.687 4.867 5.680 211 HG3 GLU 26 HG1 GLU 26 -8.102 4.718 7.338 212 H LEU 27 HN LEU 27 -4.666 4.524 3.937 213 HA LEU 27 HA LEU 27 -6.110 2.785 2.288 214 HB2 LEU 27 HB2 LEU 27 -4.550 4.682 1.639 215 HB3 LEU 27 HB1 LEU 27 -3.229 3.564 1.905 216 HG LEU 27 HG LEU 27 -5.373 2.673 0.053 217 HD11 LEU 27 HD11 LEU 27 -3.335 4.752 -0.730 218 HD12 LEU 27 HD12 LEU 27 -5.071 5.019 -0.581 219 HD13 LEU 27 HD13 LEU 27 -4.451 3.920 -1.813 220 HD21 LEU 27 HD21 LEU 27 -3.466 1.239 0.512 221 HD22 LEU 27 HD22 LEU 27 -2.359 2.517 0.009 222 HD23 LEU 27 HD23 LEU 27 -3.440 1.773 -1.169 223 H ALA 28 HN ALA 28 -3.252 2.269 4.281 224 HA ALA 28 HA ALA 28 -2.613 -0.309 3.261 225 HB1 ALA 28 HB1 ALA 28 -0.956 1.120 4.347 226 HB2 ALA 28 HB2 ALA 28 -1.063 -0.461 5.119 227 HB3 ALA 28 HB3 ALA 28 -1.814 0.943 5.878 228 H GLU 29 HN GLU 29 -4.612 0.808 5.964 229 HA GLU 29 HA GLU 29 -4.926 -1.785 7.112 230 HB2 GLU 29 HB2 GLU 29 -6.364 -0.797 8.668 231 HB3 GLU 29 HB1 GLU 29 -5.245 0.492 8.256 232 HG2 GLU 29 HG2 GLU 29 -6.941 1.376 6.671 233 HG3 GLU 29 HG1 GLU 29 -8.061 0.146 7.253 234 H GLU 30 HN GLU 30 -6.494 -0.092 4.532 235 HA GLU 30 HA GLU 30 -8.903 -1.626 4.514 236 HB2 GLU 30 HB2 GLU 30 -7.707 0.501 2.928 237 HB3 GLU 30 HB1 GLU 30 -8.511 -0.693 1.920 238 HG2 GLU 30 HG2 GLU 30 -10.548 -0.406 3.310 239 HG3 GLU 30 HG1 GLU 30 -9.729 0.902 4.163 240 H ILE 31 HN ILE 31 -5.919 -1.726 2.564 241 HA ILE 31 HA ILE 31 -6.692 -3.998 1.052 242 HB ILE 31 HB ILE 31 -4.978 -2.345 0.311 243 HG12 ILE 31 HG12 ILE 31 -3.269 -4.277 -0.360 244 HG13 ILE 31 HG11 ILE 31 -4.559 -5.292 0.279 245 HG21 ILE 31 HG21 ILE 31 -2.716 -2.453 1.101 246 HG22 ILE 31 HG22 ILE 31 -3.114 -3.779 2.192 247 HG23 ILE 31 HG23 ILE 31 -3.784 -2.173 2.478 248 HD11 ILE 31 HD11 ILE 31 -4.934 -3.217 -1.863 249 HD12 ILE 31 HD12 ILE 31 -6.119 -4.391 -1.296 250 HD13 ILE 31 HD13 ILE 31 -4.683 -4.937 -2.161 251 H ALA 32 HN ALA 32 -4.950 -3.605 4.078 252 HA ALA 32 HA ALA 32 -3.951 -6.254 4.261 253 HB1 ALA 32 HB1 ALA 32 -3.029 -4.354 5.532 254 HB2 ALA 32 HB2 ALA 32 -3.440 -5.726 6.561 255 HB3 ALA 32 HB3 ALA 32 -4.501 -4.320 6.501 256 H ARG 33 HN ARG 33 -7.022 -4.811 5.027 257 HA ARG 33 HA ARG 33 -7.949 -6.806 6.816 258 HB2 ARG 33 HB2 ARG 33 -8.825 -4.368 6.192 259 HB3 ARG 33 HB1 ARG 33 -9.894 -5.306 5.157 260 HG2 ARG 33 HG2 ARG 33 -10.708 -6.549 7.068 261 HG3 ARG 33 HG1 ARG 33 -9.583 -5.693 8.127 262 HD2 ARG 33 HD2 ARG 33 -11.664 -4.282 6.475 263 HD3 ARG 33 HD1 ARG 33 -11.975 -4.861 8.112 264 HE ARG 33 HE ARG 33 -9.651 -3.318 8.176 265 HH11 ARG 33 HH12 ARG 33 -13.062 -2.893 7.571 266 HH12 ARG 33 HH11 ARG 33 -13.085 -1.252 8.124 267 HH21 ARG 33 HH21 ARG 33 -9.679 -1.162 8.912 268 HH22 ARG 33 HH22 ARG 33 -11.163 -0.270 8.886 269 H ARG 34 HN ARG 34 -8.025 -6.519 3.315 270 HA ARG 34 HA ARG 34 -9.945 -8.632 2.967 271 HB2 ARG 34 HB2 ARG 34 -8.319 -6.915 1.150 272 HB3 ARG 34 HB1 ARG 34 -8.990 -8.410 0.512 273 HG2 ARG 34 HG2 ARG 34 -10.643 -6.904 -0.010 274 HG3 ARG 34 HG1 ARG 34 -11.217 -7.531 1.538 275 HD2 ARG 34 HD2 ARG 34 -10.239 -5.602 2.681 276 HD3 ARG 34 HD1 ARG 34 -9.657 -4.979 1.138 277 HE ARG 34 HE ARG 34 -12.362 -5.275 0.809 278 HH11 ARG 34 HH12 ARG 34 -10.300 -3.557 3.033 279 HH12 ARG 34 HH11 ARG 34 -11.433 -2.276 3.301 280 HH21 ARG 34 HH22 ARG 34 -13.861 -3.577 1.145 281 HH22 ARG 34 HH21 ARG 34 -13.457 -2.287 2.229 282 H LEU 35 HN LEU 35 -6.451 -8.409 3.053 283 HA LEU 35 HA LEU 35 -6.210 -11.159 2.095 284 HB2 LEU 35 HB2 LEU 35 -4.257 -8.932 2.526 285 HB3 LEU 35 HB1 LEU 35 -3.694 -10.586 2.381 286 HG LEU 35 HG LEU 35 -5.169 -10.528 0.173 287 HD11 LEU 35 HD11 LEU 35 -6.035 -8.284 0.516 288 HD12 LEU 35 HD12 LEU 35 -5.015 -8.342 -0.924 289 HD13 LEU 35 HD13 LEU 35 -4.392 -7.643 0.573 290 HD21 LEU 35 HD21 LEU 35 -2.415 -9.343 0.468 291 HD22 LEU 35 HD22 LEU 35 -3.134 -9.845 -1.062 292 HD23 LEU 35 HD23 LEU 35 -2.817 -11.039 0.197 293 H GLY 36 HN GLY 36 -6.259 -9.409 5.034 294 HA2 GLY 36 HA2 GLY 36 -6.326 -10.265 7.187 295 HA3 GLY 36 HA1 GLY 36 -5.922 -11.848 6.539 296 H LEU 37 HN LEU 37 -4.223 -8.710 6.449 297 HA LEU 37 HA LEU 37 -2.005 -9.966 7.912 298 HB2 LEU 37 HB2 LEU 37 -1.575 -8.090 5.603 299 HB3 LEU 37 HB1 LEU 37 -0.371 -9.017 6.468 300 HG LEU 37 HG LEU 37 -2.528 -10.475 5.004 301 HD11 LEU 37 HD11 LEU 37 -0.066 -9.299 3.725 302 HD12 LEU 37 HD12 LEU 37 -1.739 -8.870 3.372 303 HD13 LEU 37 HD13 LEU 37 -1.140 -10.482 2.983 304 HD21 LEU 37 HD21 LEU 37 -1.000 -11.713 6.439 305 HD22 LEU 37 HD22 LEU 37 0.379 -11.050 5.565 306 HD23 LEU 37 HD23 LEU 37 -0.747 -12.133 4.746 307 H SER 38 HN SER 38 -0.298 -8.123 8.361 308 HA SER 38 HA SER 38 -1.790 -5.983 9.719 309 HB2 SER 38 HB2 SER 38 -0.421 -7.576 11.114 310 HB3 SER 38 HB1 SER 38 1.018 -6.939 10.322 311 HG SER 38 HG SER 38 -0.774 -5.629 12.062 312 HA PRO 39 HA PRO 39 -0.009 -2.979 6.978 313 HB2 PRO 39 HB2 PRO 39 -0.088 -1.037 9.174 314 HB3 PRO 39 HB1 PRO 39 -0.989 -1.047 7.654 315 HG2 PRO 39 HG2 PRO 39 -2.174 -1.524 10.021 316 HG3 PRO 39 HG1 PRO 39 -2.720 -2.275 8.509 317 HD2 PRO 39 HD2 PRO 39 -1.107 -3.443 10.726 318 HD3 PRO 39 HD1 PRO 39 -2.370 -4.187 9.727 319 H GLU 40 HN GLU 40 1.443 -3.752 10.021 320 HA GLU 40 HA GLU 40 3.737 -2.059 9.775 321 HB2 GLU 40 HB2 GLU 40 3.021 -4.378 11.544 322 HB3 GLU 40 HB1 GLU 40 4.621 -3.649 11.595 323 HG2 GLU 40 HG2 GLU 40 3.611 -1.489 12.149 324 HG3 GLU 40 HG1 GLU 40 2.015 -2.237 12.114 325 H ASP 41 HN ASP 41 2.847 -5.077 8.421 326 HA ASP 41 HA ASP 41 5.626 -5.810 7.855 327 HB2 ASP 41 HB2 ASP 41 3.023 -7.310 7.585 328 HB3 ASP 41 HB1 ASP 41 4.532 -7.911 6.907 329 H ILE 42 HN ILE 42 2.719 -4.667 6.310 330 HA ILE 42 HA ILE 42 3.800 -5.088 3.642 331 HB ILE 42 HB ILE 42 1.339 -3.473 4.021 332 HG12 ILE 42 HG12 ILE 42 1.244 -6.478 4.301 333 HG13 ILE 42 HG11 ILE 42 1.231 -5.402 5.689 334 HG21 ILE 42 HG21 ILE 42 2.106 -5.703 2.145 335 HG22 ILE 42 HG22 ILE 42 2.195 -3.974 1.805 336 HG23 ILE 42 HG23 ILE 42 0.628 -4.742 2.056 337 HD11 ILE 42 HD11 ILE 42 -1.012 -5.996 5.232 338 HD12 ILE 42 HD12 ILE 42 -0.834 -5.615 3.520 339 HD13 ILE 42 HD13 ILE 42 -0.807 -4.322 4.719 340 H LYS 43 HN LYS 43 4.913 -3.622 2.544 341 HA LYS 43 HA LYS 43 4.744 -0.817 3.410 342 HB2 LYS 43 HB2 LYS 43 6.973 -2.366 3.638 343 HB3 LYS 43 HB1 LYS 43 7.223 -1.635 2.058 344 HG2 LYS 43 HG2 LYS 43 7.064 0.570 2.988 345 HG3 LYS 43 HG1 LYS 43 6.632 -0.087 4.567 346 HD2 LYS 43 HD2 LYS 43 8.865 -1.292 4.513 347 HD3 LYS 43 HD1 LYS 43 9.267 -0.272 3.129 348 HE2 LYS 43 HE2 LYS 43 8.900 1.722 4.488 349 HE3 LYS 43 HE1 LYS 43 8.470 0.713 5.867 350 HZ1 LYS 43 HZ1 LYS 43 11.115 0.744 4.515 351 HZ2 LYS 43 HZ2 LYS 43 10.701 -0.201 5.856 352 HZ3 LYS 43 HZ3 LYS 43 10.759 1.484 5.994 353 H LEU 44 HN LEU 44 4.411 0.682 1.891 354 HA LEU 44 HA LEU 44 3.916 -0.256 -0.825 355 HB2 LEU 44 HB2 LEU 44 3.265 2.330 0.583 356 HB3 LEU 44 HB1 LEU 44 2.941 2.049 -1.118 357 HG LEU 44 HG LEU 44 1.668 -0.079 -0.103 358 HD11 LEU 44 HD11 LEU 44 2.210 0.440 2.208 359 HD12 LEU 44 HD12 LEU 44 0.473 0.581 1.934 360 HD13 LEU 44 HD13 LEU 44 1.470 2.032 2.043 361 HD21 LEU 44 HD21 LEU 44 0.562 2.723 -0.270 362 HD22 LEU 44 HD22 LEU 44 -0.392 1.238 -0.264 363 HD23 LEU 44 HD23 LEU 44 0.707 1.575 -1.601 364 H THR 45 HN THR 45 5.130 0.304 -2.543 365 HA THR 45 HA THR 45 7.270 2.278 -2.113 366 HB THR 45 HB THR 45 7.758 -0.053 -3.913 367 HG1 THR 45 HG1 THR 45 7.160 -1.107 -2.040 368 HG21 THR 45 HG21 THR 45 9.539 1.573 -2.098 369 HG22 THR 45 HG22 THR 45 9.364 1.797 -3.838 370 HG23 THR 45 HG23 THR 45 10.073 0.311 -3.206 371 H HIS 46 HN HIS 46 7.417 3.810 -3.601 372 HA HIS 46 HA HIS 46 6.191 3.367 -6.234 373 HB2 HIS 46 HB2 HIS 46 4.852 4.820 -4.521 374 HB3 HIS 46 HB1 HIS 46 6.044 6.055 -4.912 375 HD1 HIS 46 HD1 HIS 46 5.759 7.299 -7.081 376 HD2 HIS 46 HD2 HIS 46 3.214 4.027 -6.755 377 HE1 HIS 46 HE1 HIS 46 4.175 7.481 -9.025 378 HE2 HIS 46 HE2 HIS 46 2.648 5.486 -8.814 379 H ASN 47 HN ASN 47 7.516 3.757 -7.842 380 HA ASN 47 HA ASN 47 9.417 4.181 -8.973 381 HB2 ASN 47 HB2 ASN 47 9.956 6.544 -9.264 382 HB3 ASN 47 HB1 ASN 47 8.220 6.286 -9.267 383 HD21 ASN 47 HD21 ASN 47 10.925 7.580 -7.477 384 HD22 ASN 47 HD22 ASN 47 9.995 8.576 -6.414 385 H GLY 48 HN GLY 48 9.952 3.080 -6.375 386 HA2 GLY 48 HA2 GLY 48 12.016 2.414 -5.483 387 HA3 GLY 48 HA1 GLY 48 12.767 3.802 -6.247 388 H LYS 49 HN LYS 49 9.922 4.303 -4.328 389 HA LYS 49 HA LYS 49 11.557 5.154 -2.038 390 HB2 LYS 49 HB2 LYS 49 9.489 6.786 -3.502 391 HB3 LYS 49 HB1 LYS 49 9.957 7.144 -1.846 392 HG2 LYS 49 HG2 LYS 49 12.266 7.472 -2.568 393 HG3 LYS 49 HG1 LYS 49 11.796 7.117 -4.232 394 HD2 LYS 49 HD2 LYS 49 10.271 9.037 -4.200 395 HD3 LYS 49 HD1 LYS 49 10.761 9.395 -2.541 396 HE2 LYS 49 HE2 LYS 49 13.067 9.729 -3.306 397 HE3 LYS 49 HE1 LYS 49 12.561 9.390 -4.962 398 HZ1 LYS 49 HZ1 LYS 49 12.715 11.763 -4.550 399 HZ2 LYS 49 HZ2 LYS 49 11.593 11.646 -3.289 400 HZ3 LYS 49 HZ3 LYS 49 11.114 11.322 -4.879 401 H THR 50 HN THR 50 10.647 4.840 -0.054 402 HA THR 50 HA THR 50 8.217 3.225 -0.011 403 HB THR 50 HB THR 50 8.886 2.999 2.485 404 HG1 THR 50 HG1 THR 50 11.510 3.420 1.720 405 HG21 THR 50 HG21 THR 50 10.570 1.844 0.258 406 HG22 THR 50 HG22 THR 50 9.084 1.164 0.920 407 HG23 THR 50 HG23 THR 50 10.541 1.235 1.912 408 H LEU 51 HN LEU 51 6.441 3.682 1.261 409 HA LEU 51 HA LEU 51 6.120 6.522 1.926 410 HB2 LEU 51 HB2 LEU 51 4.165 4.327 1.294 411 HB3 LEU 51 HB1 LEU 51 3.653 5.850 1.994 412 HG LEU 51 HG LEU 51 5.007 6.830 -0.080 413 HD11 LEU 51 HD11 LEU 51 4.060 4.132 -1.040 414 HD12 LEU 51 HD12 LEU 51 5.738 4.654 -0.898 415 HD13 LEU 51 HD13 LEU 51 4.667 5.438 -2.059 416 HD21 LEU 51 HD21 LEU 51 2.734 7.380 0.331 417 HD22 LEU 51 HD22 LEU 51 2.199 5.747 -0.062 418 HD23 LEU 51 HD23 LEU 51 2.834 6.796 -1.330 419 H ASP 52 HN ASP 52 5.662 7.213 3.945 420 HA ASP 52 HA ASP 52 5.851 5.262 6.098 421 HB2 ASP 52 HB2 ASP 52 7.066 7.618 5.876 422 HB3 ASP 52 HB1 ASP 52 5.584 8.182 6.647 423 HA PRO 53 HA PRO 53 1.467 5.168 6.854 424 HB2 PRO 53 HB2 PRO 53 2.120 4.628 9.670 425 HB3 PRO 53 HB1 PRO 53 1.274 3.612 8.498 426 HG2 PRO 53 HG2 PRO 53 3.755 3.033 9.336 427 HG3 PRO 53 HG1 PRO 53 3.199 2.672 7.692 428 HD2 PRO 53 HD2 PRO 53 4.958 4.877 8.648 429 HD3 PRO 53 HD1 PRO 53 5.039 3.925 7.152 430 H SER 54 HN SER 54 3.617 7.173 8.736 431 HA SER 54 HA SER 54 1.525 8.523 10.178 432 HB2 SER 54 HB2 SER 54 3.887 8.196 11.014 433 HB3 SER 54 HB1 SER 54 4.388 9.415 9.845 434 HG SER 54 HG SER 54 3.791 10.848 11.246 435 H LEU 55 HN LEU 55 3.225 9.032 7.165 436 HA LEU 55 HA LEU 55 2.445 11.773 6.938 437 HB2 LEU 55 HB2 LEU 55 3.850 9.799 5.184 438 HB3 LEU 55 HB1 LEU 55 3.420 11.381 4.631 439 HG LEU 55 HG LEU 55 5.061 11.037 7.107 440 HD11 LEU 55 HD11 LEU 55 6.122 11.236 4.292 441 HD12 LEU 55 HD12 LEU 55 6.191 9.803 5.318 442 HD13 LEU 55 HD13 LEU 55 7.079 11.257 5.775 443 HD21 LEU 55 HD21 LEU 55 4.145 13.235 6.758 444 HD22 LEU 55 HD22 LEU 55 4.748 13.264 5.101 445 HD23 LEU 55 HD23 LEU 55 5.881 13.277 6.451 446 H THR 56 HN THR 56 1.684 12.170 4.451 447 HA THR 56 HA THR 56 -0.848 10.685 4.184 448 HB THR 56 HB THR 56 -1.838 12.720 3.204 449 HG1 THR 56 HG1 THR 56 -0.512 14.707 3.684 450 HG21 THR 56 HG21 THR 56 -2.248 12.407 5.527 451 HG22 THR 56 HG22 THR 56 -1.838 14.109 5.308 452 HG23 THR 56 HG23 THR 56 -0.639 12.989 5.956 453 H LEU 57 HN LEU 57 -1.718 10.508 2.023 454 HA LEU 57 HA LEU 57 0.263 9.714 0.132 455 HB2 LEU 57 HB2 LEU 57 -2.739 9.913 -0.036 456 HB3 LEU 57 HB1 LEU 57 -1.737 9.262 -1.321 457 HG LEU 57 HG LEU 57 -1.480 8.080 1.406 458 HD11 LEU 57 HD11 LEU 57 -3.882 8.205 1.111 459 HD12 LEU 57 HD12 LEU 57 -3.327 6.539 0.938 460 HD13 LEU 57 HD13 LEU 57 -3.744 7.482 -0.491 461 HD21 LEU 57 HD21 LEU 57 -1.076 6.049 0.110 462 HD22 LEU 57 HD22 LEU 57 0.002 7.353 -0.388 463 HD23 LEU 57 HD23 LEU 57 -1.392 6.933 -1.382 464 H ALA 58 HN ALA 58 -1.758 12.542 0.523 465 HA ALA 58 HA ALA 58 -1.333 13.550 -2.125 466 HB1 ALA 58 HB1 ALA 58 -2.368 14.971 0.321 467 HB2 ALA 58 HB2 ALA 58 -3.349 14.078 -0.841 468 HB3 ALA 58 HB3 ALA 58 -2.492 15.535 -1.346 469 H GLU 59 HN GLU 59 0.571 13.541 0.705 470 HA GLU 59 HA GLU 59 1.941 16.032 0.149 471 HB2 GLU 59 HB2 GLU 59 1.562 14.713 2.449 472 HB3 GLU 59 HB1 GLU 59 3.121 14.031 2.005 473 HG2 GLU 59 HG2 GLU 59 4.064 16.279 1.863 474 HG3 GLU 59 HG1 GLU 59 2.501 16.962 2.307 475 H TYR 60 HN TYR 60 2.180 12.751 -0.768 476 HA TYR 60 HA TYR 60 4.976 12.901 -1.515 477 HB2 TYR 60 HB2 TYR 60 2.881 10.790 -1.396 478 HB3 TYR 60 HB1 TYR 60 4.218 10.560 -2.507 479 HD1 TYR 60 HD1 TYR 60 6.516 10.302 -1.651 480 HD2 TYR 60 HD2 TYR 60 3.188 10.650 0.975 481 HE1 TYR 60 HE1 TYR 60 7.892 9.442 0.200 482 HE2 TYR 60 HE2 TYR 60 4.551 9.797 2.833 483 HH TYR 60 HH TYR 60 7.867 9.620 2.755 484 H GLY 61 HN GLY 61 1.888 13.449 -2.929 485 HA2 GLY 61 HA2 GLY 61 1.522 14.486 -5.001 486 HA3 GLY 61 HA1 GLY 61 3.159 14.059 -5.477 487 H ILE 62 HN ILE 62 0.491 12.017 -4.297 488 HA ILE 62 HA ILE 62 0.748 10.451 -6.780 489 HB ILE 62 HB ILE 62 -0.444 9.414 -4.220 490 HG12 ILE 62 HG12 ILE 62 2.280 8.536 -4.931 491 HG13 ILE 62 HG11 ILE 62 2.159 10.201 -4.367 492 HG21 ILE 62 HG21 ILE 62 -0.995 8.191 -6.254 493 HG22 ILE 62 HG22 ILE 62 0.055 7.232 -5.209 494 HG23 ILE 62 HG23 ILE 62 0.720 8.032 -6.634 495 HD11 ILE 62 HD11 ILE 62 1.207 7.754 -2.901 496 HD12 ILE 62 HD12 ILE 62 1.041 9.417 -2.337 497 HD13 ILE 62 HD13 ILE 62 2.644 8.707 -2.531 498 H THR 63 HN THR 63 -0.995 10.027 -8.001 499 HA THR 63 HA THR 63 -3.609 10.997 -7.057 500 HB THR 63 HB THR 63 -4.085 11.485 -9.520 501 HG1 THR 63 HG1 THR 63 -2.451 11.435 -10.913 502 HG21 THR 63 HG21 THR 63 -3.728 13.261 -7.879 503 HG22 THR 63 HG22 THR 63 -3.001 13.690 -9.429 504 HG23 THR 63 HG23 THR 63 -1.984 13.129 -8.101 505 HA PRO 64 HA PRO 64 -5.242 7.031 -8.135 506 HB2 PRO 64 HB2 PRO 64 -7.648 8.213 -9.301 507 HB3 PRO 64 HB1 PRO 64 -7.476 7.284 -7.808 508 HG2 PRO 64 HG2 PRO 64 -8.028 9.923 -7.806 509 HG3 PRO 64 HG1 PRO 64 -7.091 9.137 -6.521 510 HD2 PRO 64 HD2 PRO 64 -6.132 10.792 -8.812 511 HD3 PRO 64 HD1 PRO 64 -5.567 10.749 -7.130 512 H GLY 65 HN GLY 65 -5.219 5.617 -9.828 513 HA2 GLY 65 HA2 GLY 65 -5.689 5.074 -12.135 514 HA3 GLY 65 HA1 GLY 65 -5.347 6.748 -12.548 515 H SER 66 HN SER 66 -3.095 5.807 -10.324 516 HA SER 66 HA SER 66 -1.127 5.297 -12.434 517 HB2 SER 66 HB2 SER 66 -0.715 6.130 -9.550 518 HB3 SER 66 HB1 SER 66 0.565 5.929 -10.746 519 HG SER 66 HG SER 66 -0.096 7.711 -11.780 520 H THR 67 HN THR 67 0.676 3.810 -11.848 521 HA THR 67 HA THR 67 -0.437 1.303 -10.892 522 HB THR 67 HB THR 67 1.870 0.430 -11.625 523 HG1 THR 67 HG1 THR 67 2.085 2.716 -13.217 524 HG21 THR 67 HG21 THR 67 1.236 0.424 -13.983 525 HG22 THR 67 HG22 THR 67 0.107 1.747 -13.698 526 HG23 THR 67 HG23 THR 67 -0.182 0.169 -12.965 527 H ILE 68 HN ILE 68 -0.081 0.492 -8.921 528 HA ILE 68 HA ILE 68 1.937 1.797 -7.224 529 HB ILE 68 HB ILE 68 -0.190 -0.023 -6.151 530 HG12 ILE 68 HG12 ILE 68 -1.372 1.631 -7.548 531 HG13 ILE 68 HG11 ILE 68 -1.698 1.879 -5.839 532 HG21 ILE 68 HG21 ILE 68 0.071 1.357 -4.147 533 HG22 ILE 68 HG22 ILE 68 1.269 2.344 -4.987 534 HG23 ILE 68 HG23 ILE 68 1.601 0.644 -4.657 535 HD11 ILE 68 HD11 ILE 68 -0.020 3.700 -5.841 536 HD12 ILE 68 HD12 ILE 68 -1.395 4.000 -6.904 537 HD13 ILE 68 HD13 ILE 68 0.150 3.486 -7.582 538 H THR 69 HN THR 69 3.326 0.536 -5.916 539 HA THR 69 HA THR 69 3.693 -2.230 -6.856 540 HB THR 69 HB THR 69 5.979 -0.710 -5.682 541 HG1 THR 69 HG1 THR 69 6.168 0.582 -7.359 542 HG21 THR 69 HG21 THR 69 5.757 -2.740 -7.909 543 HG22 THR 69 HG22 THR 69 6.244 -3.072 -6.245 544 HG23 THR 69 HG23 THR 69 7.261 -2.067 -7.279 545 H LEU 70 HN LEU 70 3.179 -3.642 -5.342 546 HA LEU 70 HA LEU 70 3.354 -2.848 -2.528 547 HB2 LEU 70 HB2 LEU 70 1.246 -3.844 -3.717 548 HB3 LEU 70 HB1 LEU 70 2.069 -5.373 -3.479 549 HG LEU 70 HG LEU 70 1.832 -3.638 -1.096 550 HD11 LEU 70 HD11 LEU 70 -0.538 -5.069 -2.287 551 HD12 LEU 70 HD12 LEU 70 -0.363 -3.326 -2.083 552 HD13 LEU 70 HD13 LEU 70 -0.469 -4.373 -0.669 553 HD21 LEU 70 HD21 LEU 70 1.369 -5.826 -0.046 554 HD22 LEU 70 HD22 LEU 70 2.886 -5.809 -0.946 555 HD23 LEU 70 HD23 LEU 70 1.459 -6.582 -1.636 556 H GLU 71 HN GLU 71 4.859 -3.658 -1.232 557 HA GLU 71 HA GLU 71 6.172 -6.178 -1.966 558 HB2 GLU 71 HB2 GLU 71 7.507 -3.559 -1.304 559 HB3 GLU 71 HB1 GLU 71 8.337 -5.096 -1.099 560 HG2 GLU 71 HG2 GLU 71 7.996 -5.582 -3.480 561 HG3 GLU 71 HG1 GLU 71 7.206 -4.019 -3.674 562 H ILE 72 HN ILE 72 6.397 -7.561 -0.327 563 HA ILE 72 HA ILE 72 5.872 -6.578 2.405 564 HB ILE 72 HB ILE 72 5.394 -9.421 1.548 565 HG12 ILE 72 HG12 ILE 72 2.883 -8.325 1.646 566 HG13 ILE 72 HG11 ILE 72 3.806 -7.046 0.864 567 HG21 ILE 72 HG21 ILE 72 5.482 -8.983 3.934 568 HG22 ILE 72 HG22 ILE 72 3.841 -9.411 3.446 569 HG23 ILE 72 HG23 ILE 72 4.255 -7.726 3.767 570 HD11 ILE 72 HD11 ILE 72 2.756 -8.577 -0.736 571 HD12 ILE 72 HD12 ILE 72 3.691 -9.909 -0.058 572 HD13 ILE 72 HD13 ILE 72 4.515 -8.575 -0.866 573 H LYS 73 HN LYS 73 7.166 -7.342 4.083 574 HA LYS 73 HA LYS 73 9.664 -8.603 3.202 575 HB2 LYS 73 HB2 LYS 73 10.499 -7.863 5.483 576 HB3 LYS 73 HB1 LYS 73 10.129 -6.585 4.336 577 HG2 LYS 73 HG2 LYS 73 7.986 -6.206 5.446 578 HG3 LYS 73 HG1 LYS 73 8.360 -7.492 6.595 579 HD2 LYS 73 HD2 LYS 73 10.288 -6.251 7.396 580 HD3 LYS 73 HD1 LYS 73 9.982 -4.980 6.210 581 HE2 LYS 73 HE2 LYS 73 7.959 -5.790 8.280 582 HE3 LYS 73 HE1 LYS 73 9.178 -4.553 8.583 583 HZ1 LYS 73 HZ1 LYS 73 7.077 -3.600 7.851 584 HZ2 LYS 73 HZ2 LYS 73 7.157 -4.476 6.405 585 HZ3 LYS 73 HZ3 LYS 73 8.307 -3.280 6.734 586 H LYS 74 HN LYS 74 10.200 -10.602 3.778 587 HA LYS 74 HA LYS 74 8.408 -12.031 5.614 588 HB2 LYS 74 HB2 LYS 74 10.252 -12.965 3.419 589 HB3 LYS 74 HB1 LYS 74 9.558 -14.077 4.591 590 HG2 LYS 74 HG2 LYS 74 7.315 -13.451 3.883 591 HG3 LYS 74 HG1 LYS 74 7.993 -12.300 2.731 592 HD2 LYS 74 HD2 LYS 74 9.115 -14.140 1.561 593 HD3 LYS 74 HD1 LYS 74 8.420 -15.287 2.708 594 HE2 LYS 74 HE2 LYS 74 6.174 -14.642 1.986 595 HE3 LYS 74 HE1 LYS 74 6.870 -13.494 0.841 596 HZ1 LYS 74 HZ1 LYS 74 6.255 -15.561 -0.242 597 HZ2 LYS 74 HZ2 LYS 74 7.265 -16.437 0.794 598 HZ3 LYS 74 HZ3 LYS 74 7.933 -15.337 -0.303 599 H LYS 75 HN LYS 75 9.261 -13.395 7.240 600 HA LYS 75 HA LYS 75 11.970 -12.628 8.099 601 HB2 LYS 75 HB2 LYS 75 9.518 -13.390 9.669 602 HB3 LYS 75 HB1 LYS 75 11.120 -13.406 10.387 603 HG2 LYS 75 HG2 LYS 75 11.375 -11.033 9.901 604 HG3 LYS 75 HG1 LYS 75 9.777 -11.009 9.155 605 HD2 LYS 75 HD2 LYS 75 8.778 -11.675 11.293 606 HD3 LYS 75 HD1 LYS 75 10.379 -11.674 12.035 607 HE2 LYS 75 HE2 LYS 75 9.428 -9.607 12.621 608 HE3 LYS 75 HE1 LYS 75 10.548 -9.245 11.308 609 HZ1 LYS 75 HZ1 LYS 75 7.607 -9.575 11.030 610 HZ2 LYS 75 HZ2 LYS 75 8.682 -9.226 9.771 611 HZ3 LYS 75 HZ3 LYS 75 8.442 -8.104 11.014 612 H GLY 76 HN GLY 76 13.433 -14.191 8.726 613 HA2 GLY 76 HA2 GLY 76 13.186 -16.757 9.449 614 HA3 GLY 76 HA1 GLY 76 12.886 -16.864 7.721 615 H GLY 77 HN GLY 77 15.056 -18.007 9.320 616 HA2 GLY 77 HA2 GLY 77 17.191 -18.480 8.235 617 HA3 GLY 77 HA1 GLY 77 17.305 -16.765 7.866 618 H LEU 78 HN LEU 78 19.366 -16.707 8.851 619 HA LEU 78 HA LEU 78 19.365 -16.995 11.777 620 HB2 LEU 78 HB2 LEU 78 21.057 -18.204 10.178 621 HB3 LEU 78 HB1 LEU 78 21.855 -16.644 10.152 622 HG LEU 78 HG LEU 78 21.220 -17.768 12.826 623 HD11 LEU 78 HD11 LEU 78 22.011 -19.748 11.679 624 HD12 LEU 78 HD12 LEU 78 23.245 -19.160 12.793 625 HD13 LEU 78 HD13 LEU 78 23.407 -18.861 11.061 626 HD21 LEU 78 HD21 LEU 78 23.622 -16.365 11.655 627 HD22 LEU 78 HD22 LEU 78 23.403 -16.790 13.352 628 HD23 LEU 78 HD23 LEU 78 22.333 -15.611 12.593 629 H GLU 79 HN GLU 79 19.499 -15.246 13.014 630 HA GLU 79 HA GLU 79 20.214 -12.690 11.740 631 HB2 GLU 79 HB2 GLU 79 18.263 -13.325 13.947 632 HB3 GLU 79 HB1 GLU 79 18.853 -11.693 13.666 633 HG2 GLU 79 HG2 GLU 79 17.957 -11.753 11.397 634 HG3 GLU 79 HG1 GLU 79 17.367 -13.391 11.673 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 -9.455 7.796 -12.797 2 H2 MET 1 HT2 MET 1 -10.193 6.958 -11.523 3 H3 MET 1 HT3 MET 1 -8.638 7.592 -11.330 4 HA MET 1 HA MET 1 -9.451 9.821 -11.495 5 HB2 MET 1 HB2 MET 1 -12.054 9.999 -11.312 6 HB3 MET 1 HB1 MET 1 -11.294 9.825 -12.885 7 HG2 MET 1 HG2 MET 1 -12.813 8.211 -13.189 8 HG3 MET 1 HG1 MET 1 -11.708 7.230 -12.231 9 HE1 MET 1 HE1 MET 1 -13.459 5.599 -11.748 10 HE2 MET 1 HE2 MET 1 -14.907 6.382 -12.376 11 HE3 MET 1 HE3 MET 1 -14.862 5.822 -10.704 12 H ASP 2 HN ASP 2 -10.835 7.054 -9.832 13 HA ASP 2 HA ASP 2 -10.337 8.403 -7.288 14 HB2 ASP 2 HB2 ASP 2 -12.985 7.396 -8.250 15 HB3 ASP 2 HB1 ASP 2 -12.599 7.263 -6.537 16 H THR 3 HN THR 3 -10.093 5.715 -9.238 17 HA THR 3 HA THR 3 -9.730 3.899 -6.955 18 HB THR 3 HB THR 3 -9.799 2.084 -8.748 19 HG1 THR 3 HG1 THR 3 -10.527 2.634 -10.736 20 HG21 THR 3 HG21 THR 3 -12.270 3.763 -8.288 21 HG22 THR 3 HG22 THR 3 -11.657 2.506 -7.213 22 HG23 THR 3 HG23 THR 3 -12.252 2.077 -8.814 23 H ILE 4 HN ILE 4 -7.916 2.526 -6.901 24 HA ILE 4 HA ILE 4 -5.649 3.349 -8.594 25 HB ILE 4 HB ILE 4 -4.197 2.968 -6.540 26 HG12 ILE 4 HG12 ILE 4 -6.508 3.701 -4.832 27 HG13 ILE 4 HG11 ILE 4 -6.455 2.031 -5.378 28 HG21 ILE 4 HG21 ILE 4 -6.112 5.296 -6.606 29 HG22 ILE 4 HG22 ILE 4 -4.562 5.176 -7.439 30 HG23 ILE 4 HG23 ILE 4 -4.613 5.250 -5.678 31 HD11 ILE 4 HD11 ILE 4 -4.304 1.717 -4.366 32 HD12 ILE 4 HD12 ILE 4 -5.418 2.387 -3.172 33 HD13 ILE 4 HD13 ILE 4 -4.215 3.425 -3.938 34 H ASN 5 HN ASN 5 -3.962 1.740 -8.824 35 HA ASN 5 HA ASN 5 -4.996 -0.970 -8.661 36 HB2 ASN 5 HB2 ASN 5 -2.869 0.415 -10.234 37 HB3 ASN 5 HB1 ASN 5 -2.871 -1.320 -10.099 38 HD21 ASN 5 HD21 ASN 5 -3.102 0.025 -12.475 39 HD22 ASN 5 HD22 ASN 5 -4.665 -0.273 -13.122 40 H ILE 6 HN ILE 6 -3.698 -2.674 -7.897 41 HA ILE 6 HA ILE 6 -1.415 -1.970 -6.192 42 HB ILE 6 HB ILE 6 -3.696 -3.757 -5.307 43 HG12 ILE 6 HG12 ILE 6 -3.436 -1.773 -3.423 44 HG13 ILE 6 HG11 ILE 6 -3.139 -0.901 -4.923 45 HG21 ILE 6 HG21 ILE 6 -1.133 -2.982 -3.930 46 HG22 ILE 6 HG22 ILE 6 -1.639 -4.598 -4.424 47 HG23 ILE 6 HG23 ILE 6 -2.494 -3.765 -3.127 48 HD11 ILE 6 HD11 ILE 6 -5.557 -2.601 -4.369 49 HD12 ILE 6 HD12 ILE 6 -5.267 -1.613 -5.800 50 HD13 ILE 6 HD13 ILE 6 -5.492 -0.843 -4.229 51 H THR 7 HN THR 7 0.268 -3.147 -6.861 52 HA THR 7 HA THR 7 -0.234 -5.674 -8.258 53 HB THR 7 HB THR 7 2.496 -4.484 -8.130 54 HG1 THR 7 HG1 THR 7 1.853 -2.704 -9.067 55 HG21 THR 7 HG21 THR 7 2.594 -5.344 -10.428 56 HG22 THR 7 HG22 THR 7 0.904 -5.836 -10.315 57 HG23 THR 7 HG23 THR 7 2.117 -6.603 -9.291 58 H LEU 8 HN LEU 8 0.034 -7.515 -7.212 59 HA LEU 8 HA LEU 8 1.543 -7.575 -4.731 60 HB2 LEU 8 HB2 LEU 8 -0.780 -8.825 -5.809 61 HB3 LEU 8 HB1 LEU 8 0.386 -10.061 -5.456 62 HG LEU 8 HG LEU 8 0.477 -8.633 -3.145 63 HD11 LEU 8 HD11 LEU 8 -2.415 -8.593 -3.977 64 HD12 LEU 8 HD12 LEU 8 -1.361 -7.180 -4.035 65 HD13 LEU 8 HD13 LEU 8 -1.704 -7.959 -2.491 66 HD21 LEU 8 HD21 LEU 8 -1.418 -10.872 -3.843 67 HD22 LEU 8 HD22 LEU 8 -0.968 -10.386 -2.209 68 HD23 LEU 8 HD23 LEU 8 0.252 -11.041 -3.301 69 HA PRO 9 HA PRO 9 4.934 -9.843 -6.527 70 HB2 PRO 9 HB2 PRO 9 5.562 -11.674 -4.637 71 HB3 PRO 9 HB1 PRO 9 5.866 -9.945 -4.411 72 HG2 PRO 9 HG2 PRO 9 3.602 -11.599 -3.377 73 HG3 PRO 9 HG1 PRO 9 4.564 -10.364 -2.540 74 HD2 PRO 9 HD2 PRO 9 2.114 -9.843 -3.547 75 HD3 PRO 9 HD1 PRO 9 3.399 -8.621 -3.479 76 H ASP 10 HN ASP 10 1.931 -11.235 -6.123 77 HA ASP 10 HA ASP 10 2.675 -13.901 -7.027 78 HB2 ASP 10 HB2 ASP 10 0.055 -12.622 -6.267 79 HB3 ASP 10 HB1 ASP 10 0.137 -14.229 -6.983 80 H GLY 11 HN GLY 11 1.759 -10.891 -8.354 81 HA2 GLY 11 HA2 GLY 11 2.020 -10.469 -10.688 82 HA3 GLY 11 HA1 GLY 11 1.578 -12.138 -11.008 83 H LYS 12 HN LYS 12 -0.504 -10.889 -8.706 84 HA LYS 12 HA LYS 12 -2.520 -10.372 -10.780 85 HB2 LYS 12 HB2 LYS 12 -4.176 -10.813 -8.926 86 HB3 LYS 12 HB1 LYS 12 -3.204 -12.192 -9.416 87 HG2 LYS 12 HG2 LYS 12 -1.745 -11.838 -7.473 88 HG3 LYS 12 HG1 LYS 12 -2.765 -10.487 -6.972 89 HD2 LYS 12 HD2 LYS 12 -4.687 -12.033 -6.833 90 HD3 LYS 12 HD1 LYS 12 -3.611 -13.371 -7.248 91 HE2 LYS 12 HE2 LYS 12 -2.279 -12.897 -5.237 92 HE3 LYS 12 HE1 LYS 12 -3.393 -11.596 -4.817 93 HZ1 LYS 12 HZ1 LYS 12 -4.101 -14.473 -5.054 94 HZ2 LYS 12 HZ2 LYS 12 -5.172 -13.225 -4.655 95 HZ3 LYS 12 HZ3 LYS 12 -3.907 -13.618 -3.605 96 H THR 13 HN THR 13 -3.876 -8.597 -10.665 97 HA THR 13 HA THR 13 -2.874 -6.412 -8.971 98 HB THR 13 HB THR 13 -4.044 -4.923 -10.682 99 HG1 THR 13 HG1 THR 13 -4.276 -7.457 -11.897 100 HG21 THR 13 HG21 THR 13 -1.715 -6.624 -11.578 101 HG22 THR 13 HG22 THR 13 -1.616 -5.170 -10.586 102 HG23 THR 13 HG23 THR 13 -2.162 -5.062 -12.259 103 H LEU 14 HN LEU 14 -4.377 -4.909 -8.100 104 HA LEU 14 HA LEU 14 -7.162 -5.804 -7.911 105 HB2 LEU 14 HB2 LEU 14 -5.557 -6.505 -5.945 106 HB3 LEU 14 HB1 LEU 14 -5.760 -4.833 -5.455 107 HG LEU 14 HG LEU 14 -8.262 -6.307 -6.005 108 HD11 LEU 14 HD11 LEU 14 -6.986 -8.059 -4.912 109 HD12 LEU 14 HD12 LEU 14 -8.217 -7.426 -3.819 110 HD13 LEU 14 HD13 LEU 14 -6.531 -6.949 -3.621 111 HD21 LEU 14 HD21 LEU 14 -8.983 -5.101 -4.005 112 HD22 LEU 14 HD22 LEU 14 -8.250 -4.008 -5.179 113 HD23 LEU 14 HD23 LEU 14 -7.337 -4.517 -3.758 114 H THR 15 HN THR 15 -8.653 -4.135 -7.431 115 HA THR 15 HA THR 15 -7.552 -1.417 -7.722 116 HB THR 15 HB THR 15 -10.355 -1.558 -8.394 117 HG1 THR 15 HG1 THR 15 -9.355 -2.756 -10.504 118 HG21 THR 15 HG21 THR 15 -9.658 -0.346 -10.320 119 HG22 THR 15 HG22 THR 15 -8.005 -0.946 -10.177 120 HG23 THR 15 HG23 THR 15 -8.634 0.194 -8.988 121 H LEU 16 HN LEU 16 -7.905 -0.041 -6.101 122 HA LEU 16 HA LEU 16 -10.069 -0.672 -4.195 123 HB2 LEU 16 HB2 LEU 16 -7.680 -1.001 -3.387 124 HB3 LEU 16 HB1 LEU 16 -7.502 0.738 -3.492 125 HG LEU 16 HG LEU 16 -9.616 0.758 -1.933 126 HD11 LEU 16 HD11 LEU 16 -8.433 -1.959 -1.373 127 HD12 LEU 16 HD12 LEU 16 -10.041 -1.636 -2.027 128 HD13 LEU 16 HD13 LEU 16 -9.641 -1.137 -0.382 129 HD21 LEU 16 HD21 LEU 16 -8.140 0.787 0.009 130 HD22 LEU 16 HD22 LEU 16 -7.412 1.637 -1.352 131 HD23 LEU 16 HD23 LEU 16 -6.869 0.011 -0.936 132 H THR 17 HN THR 17 -11.221 1.058 -3.295 133 HA THR 17 HA THR 17 -11.095 3.526 -4.882 134 HB THR 17 HB THR 17 -13.386 2.946 -3.053 135 HG1 THR 17 HG1 THR 17 -12.598 1.193 -4.864 136 HG21 THR 17 HG21 THR 17 -14.651 4.060 -4.821 137 HG22 THR 17 HG22 THR 17 -13.199 4.149 -5.818 138 HG23 THR 17 HG23 THR 17 -13.288 5.055 -4.307 139 H VAL 18 HN VAL 18 -10.117 5.208 -3.969 140 HA VAL 18 HA VAL 18 -10.526 5.735 -1.115 141 HB VAL 18 HB VAL 18 -8.049 6.474 -1.038 142 HG11 VAL 18 HG11 VAL 18 -7.326 4.259 -0.311 143 HG12 VAL 18 HG12 VAL 18 -8.739 3.540 -1.082 144 HG13 VAL 18 HG13 VAL 18 -8.940 4.635 0.285 145 HG21 VAL 18 HG21 VAL 18 -8.077 4.716 -3.469 146 HG22 VAL 18 HG22 VAL 18 -6.631 4.893 -2.477 147 HG23 VAL 18 HG23 VAL 18 -7.341 6.305 -3.256 148 H THR 19 HN THR 19 -9.253 7.947 -0.642 149 HA THR 19 HA THR 19 -9.666 9.800 -2.884 150 HB THR 19 HB THR 19 -10.690 11.446 -1.214 151 HG1 THR 19 HG1 THR 19 -11.604 10.587 0.626 152 HG21 THR 19 HG21 THR 19 -12.271 8.985 -1.964 153 HG22 THR 19 HG22 THR 19 -12.028 10.418 -2.966 154 HG23 THR 19 HG23 THR 19 -12.960 10.532 -1.474 155 HA PRO 20 HA PRO 20 -5.965 11.801 -1.525 156 HB2 PRO 20 HB2 PRO 20 -7.303 14.435 -1.507 157 HB3 PRO 20 HB1 PRO 20 -5.945 13.871 -2.490 158 HG2 PRO 20 HG2 PRO 20 -8.350 14.236 -3.576 159 HG3 PRO 20 HG1 PRO 20 -7.304 12.894 -4.078 160 HD2 PRO 20 HD2 PRO 20 -9.670 12.860 -2.258 161 HD3 PRO 20 HD1 PRO 20 -9.199 11.703 -3.519 162 H GLU 21 HN GLU 21 -8.849 12.166 0.310 163 HA GLU 21 HA GLU 21 -7.573 13.565 2.508 164 HB2 GLU 21 HB2 GLU 21 -10.099 13.635 1.671 165 HB3 GLU 21 HB1 GLU 21 -10.251 12.305 2.809 166 HG2 GLU 21 HG2 GLU 21 -9.403 13.712 4.597 167 HG3 GLU 21 HG1 GLU 21 -9.185 15.042 3.461 168 H PHE 22 HN PHE 22 -7.654 10.420 1.434 169 HA PHE 22 HA PHE 22 -7.809 9.096 3.974 170 HB2 PHE 22 HB2 PHE 22 -7.589 8.372 1.133 171 HB3 PHE 22 HB1 PHE 22 -6.726 7.312 2.207 172 HD1 PHE 22 HD1 PHE 22 -10.042 8.960 1.936 173 HD2 PHE 22 HD2 PHE 22 -7.854 5.485 3.049 174 HE1 PHE 22 HE1 PHE 22 -12.152 7.803 2.448 175 HE2 PHE 22 HE2 PHE 22 -9.960 4.321 3.566 176 HZ PHE 22 HZ PHE 22 -12.111 5.480 3.263 177 H THR 23 HN THR 23 -6.086 8.207 5.115 178 HA THR 23 HA THR 23 -3.496 9.431 4.576 179 HB THR 23 HB THR 23 -2.858 8.363 6.790 180 HG1 THR 23 HG1 THR 23 -5.134 8.031 7.930 181 HG21 THR 23 HG21 THR 23 -4.153 9.995 8.139 182 HG22 THR 23 HG22 THR 23 -5.160 10.315 6.725 183 HG23 THR 23 HG23 THR 23 -3.442 10.704 6.690 184 H VAL 24 HN VAL 24 -1.513 7.976 4.960 185 HA VAL 24 HA VAL 24 -1.612 5.825 3.112 186 HB VAL 24 HB VAL 24 0.575 6.368 5.130 187 HG11 VAL 24 HG11 VAL 24 0.731 4.180 4.051 188 HG12 VAL 24 HG12 VAL 24 2.025 5.246 3.507 189 HG13 VAL 24 HG13 VAL 24 0.633 4.947 2.466 190 HG21 VAL 24 HG21 VAL 24 0.252 7.455 2.334 191 HG22 VAL 24 HG22 VAL 24 1.654 7.690 3.379 192 HG23 VAL 24 HG23 VAL 24 0.094 8.377 3.830 193 H LYS 25 HN LYS 25 -1.843 6.050 6.591 194 HA LYS 25 HA LYS 25 -1.550 3.270 7.142 195 HB2 LYS 25 HB2 LYS 25 -1.432 5.419 8.697 196 HB3 LYS 25 HB1 LYS 25 -3.133 5.044 8.940 197 HG2 LYS 25 HG2 LYS 25 -2.553 2.823 9.726 198 HG3 LYS 25 HG1 LYS 25 -0.845 3.151 9.431 199 HD2 LYS 25 HD2 LYS 25 -0.897 4.950 11.079 200 HD3 LYS 25 HD1 LYS 25 -2.615 4.650 11.361 201 HE2 LYS 25 HE2 LYS 25 -2.084 2.386 12.131 202 HE3 LYS 25 HE1 LYS 25 -0.369 2.698 11.859 203 HZ1 LYS 25 HZ1 LYS 25 -0.961 2.983 14.179 204 HZ2 LYS 25 HZ2 LYS 25 -2.111 4.155 13.774 205 HZ3 LYS 25 HZ3 LYS 25 -0.467 4.458 13.513 206 H GLU 26 HN GLU 26 -4.259 5.378 6.396 207 HA GLU 26 HA GLU 26 -6.300 3.499 7.042 208 HB2 GLU 26 HB2 GLU 26 -6.319 6.140 6.603 209 HB3 GLU 26 HB1 GLU 26 -6.824 5.595 5.009 210 HG2 GLU 26 HG2 GLU 26 -8.809 4.744 5.778 211 HG3 GLU 26 HG1 GLU 26 -8.197 4.497 7.413 212 H LEU 27 HN LEU 27 -4.826 4.538 3.961 213 HA LEU 27 HA LEU 27 -6.268 2.840 2.277 214 HB2 LEU 27 HB2 LEU 27 -4.744 4.768 1.662 215 HB3 LEU 27 HB1 LEU 27 -3.400 3.667 1.887 216 HG LEU 27 HG LEU 27 -5.533 2.767 0.035 217 HD11 LEU 27 HD11 LEU 27 -5.379 5.110 -0.571 218 HD12 LEU 27 HD12 LEU 27 -4.631 4.102 -1.811 219 HD13 LEU 27 HD13 LEU 27 -3.622 4.989 -0.668 220 HD21 LEU 27 HD21 LEU 27 -3.556 1.405 0.426 221 HD22 LEU 27 HD22 LEU 27 -2.517 2.741 -0.071 222 HD23 LEU 27 HD23 LEU 27 -3.591 1.979 -1.242 223 H ALA 28 HN ALA 28 -3.374 2.271 4.200 224 HA ALA 28 HA ALA 28 -2.728 -0.257 3.067 225 HB1 ALA 28 HB1 ALA 28 -1.156 -0.473 4.904 226 HB2 ALA 28 HB2 ALA 28 -1.913 0.890 5.730 227 HB3 ALA 28 HB3 ALA 28 -1.072 1.143 4.202 228 H GLU 29 HN GLU 29 -4.673 0.722 5.868 229 HA GLU 29 HA GLU 29 -4.968 -1.920 6.895 230 HB2 GLU 29 HB2 GLU 29 -6.366 -1.003 8.522 231 HB3 GLU 29 HB1 GLU 29 -5.279 0.317 8.130 232 HG2 GLU 29 HG2 GLU 29 -7.029 1.221 6.611 233 HG3 GLU 29 HG1 GLU 29 -8.116 -0.038 7.197 234 H GLU 30 HN GLU 30 -6.602 -0.126 4.419 235 HA GLU 30 HA GLU 30 -9.005 -1.672 4.392 236 HB2 GLU 30 HB2 GLU 30 -7.885 0.553 2.912 237 HB3 GLU 30 HB1 GLU 30 -8.641 -0.606 1.831 238 HG2 GLU 30 HG2 GLU 30 -10.698 -0.466 3.212 239 HG3 GLU 30 HG1 GLU 30 -9.925 0.810 4.154 240 H ILE 31 HN ILE 31 -6.089 -1.652 2.335 241 HA ILE 31 HA ILE 31 -6.906 -3.868 0.764 242 HB ILE 31 HB ILE 31 -5.271 -2.157 -0.004 243 HG12 ILE 31 HG12 ILE 31 -3.567 -3.991 -0.867 244 HG13 ILE 31 HG11 ILE 31 -4.742 -5.091 -0.149 245 HG21 ILE 31 HG21 ILE 31 -3.956 -1.985 2.063 246 HG22 ILE 31 HG22 ILE 31 -2.945 -2.289 0.651 247 HG23 ILE 31 HG23 ILE 31 -3.312 -3.599 1.772 248 HD11 ILE 31 HD11 ILE 31 -6.472 -4.265 -1.568 249 HD12 ILE 31 HD12 ILE 31 -5.078 -4.675 -2.566 250 HD13 ILE 31 HD13 ILE 31 -5.424 -2.988 -2.183 251 H ALA 32 HN ALA 32 -4.974 -3.591 3.700 252 HA ALA 32 HA ALA 32 -3.946 -6.237 3.676 253 HB1 ALA 32 HB1 ALA 32 -2.948 -4.386 4.967 254 HB2 ALA 32 HB2 ALA 32 -3.260 -5.818 5.950 255 HB3 ALA 32 HB3 ALA 32 -4.340 -4.427 6.050 256 H ARG 33 HN ARG 33 -6.956 -4.861 4.755 257 HA ARG 33 HA ARG 33 -7.751 -6.951 6.491 258 HB2 ARG 33 HB2 ARG 33 -8.692 -4.499 6.023 259 HB3 ARG 33 HB1 ARG 33 -9.809 -5.408 5.014 260 HG2 ARG 33 HG2 ARG 33 -10.481 -6.746 6.922 261 HG3 ARG 33 HG1 ARG 33 -9.319 -5.897 7.943 262 HD2 ARG 33 HD2 ARG 33 -10.506 -3.801 7.547 263 HD3 ARG 33 HD1 ARG 33 -11.664 -4.646 6.522 264 HE ARG 33 HE ARG 33 -11.674 -5.940 8.968 265 HH11 ARG 33 HH12 ARG 33 -12.419 -2.760 7.740 266 HH12 ARG 33 HH11 ARG 33 -13.615 -2.434 8.948 267 HH21 ARG 33 HH21 ARG 33 -13.242 -5.518 10.558 268 HH22 ARG 33 HH22 ARG 33 -14.083 -4.005 10.550 269 H ARG 34 HN ARG 34 -8.039 -6.502 3.017 270 HA ARG 34 HA ARG 34 -9.860 -8.739 2.731 271 HB2 ARG 34 HB2 ARG 34 -8.653 -6.750 0.851 272 HB3 ARG 34 HB1 ARG 34 -9.341 -8.235 0.211 273 HG2 ARG 34 HG2 ARG 34 -11.151 -6.844 0.081 274 HG3 ARG 34 HG1 ARG 34 -11.403 -7.555 1.676 275 HD2 ARG 34 HD2 ARG 34 -10.363 -5.617 2.719 276 HD3 ARG 34 HD1 ARG 34 -10.059 -4.910 1.132 277 HE ARG 34 HE ARG 34 -12.791 -5.385 1.307 278 HH11 ARG 34 HH12 ARG 34 -10.384 -3.437 2.907 279 HH12 ARG 34 HH11 ARG 34 -11.491 -2.173 3.323 280 HH21 ARG 34 HH22 ARG 34 -14.262 -3.712 1.843 281 HH22 ARG 34 HH21 ARG 34 -13.695 -2.327 2.716 282 H LEU 35 HN LEU 35 -6.459 -8.266 2.759 283 HA LEU 35 HA LEU 35 -5.997 -10.768 1.308 284 HB2 LEU 35 HB2 LEU 35 -4.115 -8.614 2.251 285 HB3 LEU 35 HB1 LEU 35 -3.574 -10.117 1.528 286 HG LEU 35 HG LEU 35 -5.500 -8.368 0.042 287 HD11 LEU 35 HD11 LEU 35 -3.631 -7.198 -0.992 288 HD12 LEU 35 HD12 LEU 35 -2.507 -8.021 0.090 289 HD13 LEU 35 HD13 LEU 35 -3.689 -6.886 0.743 290 HD21 LEU 35 HD21 LEU 35 -3.310 -10.256 -0.821 291 HD22 LEU 35 HD22 LEU 35 -4.395 -9.372 -1.895 292 HD23 LEU 35 HD23 LEU 35 -5.038 -10.608 -0.813 293 H GLY 36 HN GLY 36 -6.167 -9.538 4.492 294 HA2 GLY 36 HA2 GLY 36 -6.124 -10.704 6.487 295 HA3 GLY 36 HA1 GLY 36 -5.656 -12.145 5.599 296 H LEU 37 HN LEU 37 -4.018 -8.996 5.715 297 HA LEU 37 HA LEU 37 -1.779 -10.292 7.121 298 HB2 LEU 37 HB2 LEU 37 -1.390 -8.274 4.927 299 HB3 LEU 37 HB1 LEU 37 -0.171 -9.243 5.722 300 HG LEU 37 HG LEU 37 -2.320 -10.640 4.194 301 HD11 LEU 37 HD11 LEU 37 -0.973 -10.484 2.151 302 HD12 LEU 37 HD12 LEU 37 0.092 -9.327 2.950 303 HD13 LEU 37 HD13 LEU 37 -1.598 -8.916 2.654 304 HD21 LEU 37 HD21 LEU 37 -0.739 -11.933 5.519 305 HD22 LEU 37 HD22 LEU 37 0.609 -11.184 4.663 306 HD23 LEU 37 HD23 LEU 37 -0.510 -12.238 3.799 307 H SER 38 HN SER 38 -0.106 -8.440 7.685 308 HA SER 38 HA SER 38 -1.646 -6.484 9.231 309 HB2 SER 38 HB2 SER 38 1.251 -7.318 9.526 310 HB3 SER 38 HB1 SER 38 0.367 -6.248 10.616 311 HG SER 38 HG SER 38 -1.041 -8.026 11.046 312 HA PRO 39 HA PRO 39 -0.484 -3.246 6.417 313 HB2 PRO 39 HB2 PRO 39 -0.925 -1.427 8.692 314 HB3 PRO 39 HB1 PRO 39 -1.756 -1.501 7.134 315 HG2 PRO 39 HG2 PRO 39 -2.956 -2.285 9.394 316 HG3 PRO 39 HG1 PRO 39 -3.265 -3.083 7.840 317 HD2 PRO 39 HD2 PRO 39 -1.573 -3.984 10.123 318 HD3 PRO 39 HD1 PRO 39 -2.632 -4.924 9.053 319 H GLU 40 HN GLU 40 0.977 -3.582 9.582 320 HA GLU 40 HA GLU 40 3.004 -1.600 9.203 321 HB2 GLU 40 HB2 GLU 40 2.578 -3.802 11.203 322 HB3 GLU 40 HB1 GLU 40 4.030 -2.814 11.221 323 HG2 GLU 40 HG2 GLU 40 2.656 -0.809 11.499 324 HG3 GLU 40 HG1 GLU 40 1.205 -1.810 11.491 325 H ASP 41 HN ASP 41 2.617 -4.792 8.089 326 HA ASP 41 HA ASP 41 5.493 -5.237 7.779 327 HB2 ASP 41 HB2 ASP 41 3.086 -7.012 7.428 328 HB3 ASP 41 HB1 ASP 41 4.672 -7.483 6.829 329 H ILE 42 HN ILE 42 2.650 -4.444 5.931 330 HA ILE 42 HA ILE 42 3.988 -4.884 3.389 331 HB ILE 42 HB ILE 42 1.394 -3.436 3.506 332 HG12 ILE 42 HG12 ILE 42 1.504 -6.431 3.865 333 HG13 ILE 42 HG11 ILE 42 1.279 -5.323 5.211 334 HG21 ILE 42 HG21 ILE 42 2.475 -3.912 1.381 335 HG22 ILE 42 HG22 ILE 42 0.945 -4.777 1.516 336 HG23 ILE 42 HG23 ILE 42 2.466 -5.637 1.750 337 HD11 ILE 42 HD11 ILE 42 -0.750 -4.455 4.072 338 HD12 ILE 42 HD12 ILE 42 -0.853 -6.149 4.547 339 HD13 ILE 42 HD13 ILE 42 -0.554 -5.723 2.862 340 H LYS 43 HN LYS 43 5.149 -3.403 2.393 341 HA LYS 43 HA LYS 43 4.817 -0.593 3.198 342 HB2 LYS 43 HB2 LYS 43 7.107 -2.092 3.265 343 HB3 LYS 43 HB1 LYS 43 7.248 -1.288 1.706 344 HG2 LYS 43 HG2 LYS 43 7.028 0.874 2.758 345 HG3 LYS 43 HG1 LYS 43 6.764 0.111 4.328 346 HD2 LYS 43 HD2 LYS 43 9.029 -0.934 4.101 347 HD3 LYS 43 HD1 LYS 43 9.273 0.057 2.661 348 HE2 LYS 43 HE2 LYS 43 8.895 2.078 4.023 349 HE3 LYS 43 HE1 LYS 43 8.734 1.061 5.454 350 HZ1 LYS 43 HZ1 LYS 43 11.006 0.307 5.127 351 HZ2 LYS 43 HZ2 LYS 43 10.953 1.992 5.270 352 HZ3 LYS 43 HZ3 LYS 43 11.156 1.278 3.750 353 H LEU 44 HN LEU 44 4.437 0.934 1.693 354 HA LEU 44 HA LEU 44 3.742 -0.008 -0.973 355 HB2 LEU 44 HB2 LEU 44 3.261 2.599 0.463 356 HB3 LEU 44 HB1 LEU 44 2.831 2.338 -1.216 357 HG LEU 44 HG LEU 44 1.553 0.246 -0.145 358 HD11 LEU 44 HD11 LEU 44 1.544 2.330 2.033 359 HD12 LEU 44 HD12 LEU 44 2.258 0.720 2.133 360 HD13 LEU 44 HD13 LEU 44 0.512 0.901 1.968 361 HD21 LEU 44 HD21 LEU 44 -0.472 1.625 -0.160 362 HD22 LEU 44 HD22 LEU 44 0.551 1.947 -1.560 363 HD23 LEU 44 HD23 LEU 44 0.523 3.079 -0.208 364 H THR 45 HN THR 45 4.847 0.479 -2.780 365 HA THR 45 HA THR 45 7.075 2.391 -2.551 366 HB THR 45 HB THR 45 7.373 0.059 -4.376 367 HG1 THR 45 HG1 THR 45 8.198 -0.211 -1.696 368 HG21 THR 45 HG21 THR 45 9.279 1.603 -2.615 369 HG22 THR 45 HG22 THR 45 9.056 1.819 -4.350 370 HG23 THR 45 HG23 THR 45 9.734 0.313 -3.730 371 H HIS 46 HN HIS 46 7.140 3.908 -4.058 372 HA HIS 46 HA HIS 46 5.723 3.460 -6.594 373 HB2 HIS 46 HB2 HIS 46 4.555 4.977 -4.789 374 HB3 HIS 46 HB1 HIS 46 5.720 6.180 -5.337 375 HD1 HIS 46 HD1 HIS 46 2.546 4.552 -6.253 376 HD2 HIS 46 HD2 HIS 46 5.408 6.935 -8.097 377 HE1 HIS 46 HE1 HIS 46 1.466 5.389 -8.365 378 HE2 HIS 46 HE2 HIS 46 3.217 6.826 -9.466 379 H ASN 47 HN ASN 47 6.954 3.786 -8.287 380 HA ASN 47 HA ASN 47 8.777 4.159 -9.554 381 HB2 ASN 47 HB2 ASN 47 9.317 6.500 -9.942 382 HB3 ASN 47 HB1 ASN 47 7.585 6.280 -9.786 383 HD21 ASN 47 HD21 ASN 47 10.462 7.555 -8.276 384 HD22 ASN 47 HD22 ASN 47 9.653 8.594 -7.159 385 H GLY 48 HN GLY 48 9.483 3.094 -6.979 386 HA2 GLY 48 HA2 GLY 48 11.598 2.416 -6.225 387 HA3 GLY 48 HA1 GLY 48 12.307 3.783 -7.064 388 H LYS 49 HN LYS 49 9.608 4.347 -4.970 389 HA LYS 49 HA LYS 49 11.410 5.250 -2.830 390 HB2 LYS 49 HB2 LYS 49 9.178 6.810 -4.123 391 HB3 LYS 49 HB1 LYS 49 9.823 7.224 -2.541 392 HG2 LYS 49 HG2 LYS 49 11.685 6.948 -4.857 393 HG3 LYS 49 HG1 LYS 49 10.718 8.411 -4.684 394 HD2 LYS 49 HD2 LYS 49 11.627 8.720 -2.415 395 HD3 LYS 49 HD1 LYS 49 12.622 7.278 -2.632 396 HE2 LYS 49 HE2 LYS 49 13.768 8.344 -4.506 397 HE3 LYS 49 HE1 LYS 49 12.761 9.778 -4.314 398 HZ1 LYS 49 HZ1 LYS 49 14.916 10.081 -3.282 399 HZ2 LYS 49 HZ2 LYS 49 14.676 8.723 -2.305 400 HZ3 LYS 49 HZ3 LYS 49 13.701 10.089 -2.104 401 H THR 50 HN THR 50 10.751 4.812 -0.809 402 HA THR 50 HA THR 50 8.360 3.193 -0.507 403 HB THR 50 HB THR 50 9.280 3.044 1.928 404 HG1 THR 50 HG1 THR 50 11.817 3.298 1.162 405 HG21 THR 50 HG21 THR 50 10.857 1.261 1.229 406 HG22 THR 50 HG22 THR 50 10.713 1.824 -0.437 407 HG23 THR 50 HG23 THR 50 9.305 1.167 0.397 408 H LEU 51 HN LEU 51 6.742 3.582 0.991 409 HA LEU 51 HA LEU 51 6.497 6.383 1.878 410 HB2 LEU 51 HB2 LEU 51 4.410 4.491 0.810 411 HB3 LEU 51 HB1 LEU 51 4.005 5.974 1.651 412 HG LEU 51 HG LEU 51 5.589 7.031 -0.203 413 HD11 LEU 51 HD11 LEU 51 4.452 4.589 -1.559 414 HD12 LEU 51 HD12 LEU 51 6.158 4.869 -1.211 415 HD13 LEU 51 HD13 LEU 51 5.305 5.919 -2.343 416 HD21 LEU 51 HD21 LEU 51 3.559 7.436 -1.539 417 HD22 LEU 51 HD22 LEU 51 3.306 7.683 0.187 418 HD23 LEU 51 HD23 LEU 51 2.716 6.214 -0.587 419 H ASP 52 HN ASP 52 5.929 6.755 3.969 420 HA ASP 52 HA ASP 52 5.719 4.416 5.698 421 HB2 ASP 52 HB2 ASP 52 6.781 7.113 5.976 422 HB3 ASP 52 HB1 ASP 52 5.754 6.659 7.332 423 HA PRO 53 HA PRO 53 1.352 4.804 6.313 424 HB2 PRO 53 HB2 PRO 53 1.723 3.926 9.089 425 HB3 PRO 53 HB1 PRO 53 0.891 3.117 7.758 426 HG2 PRO 53 HG2 PRO 53 3.228 2.216 8.720 427 HG3 PRO 53 HG1 PRO 53 2.783 2.065 7.010 428 HD2 PRO 53 HD2 PRO 53 4.637 4.002 8.317 429 HD3 PRO 53 HD1 PRO 53 4.778 3.172 6.754 430 H SER 54 HN SER 54 3.551 6.377 8.517 431 HA SER 54 HA SER 54 1.567 7.744 10.048 432 HB2 SER 54 HB2 SER 54 4.515 8.307 9.704 433 HB3 SER 54 HB1 SER 54 3.476 9.059 10.914 434 HG SER 54 HG SER 54 4.197 7.392 12.029 435 H LEU 55 HN LEU 55 3.188 8.425 7.030 436 HA LEU 55 HA LEU 55 2.547 11.213 7.074 437 HB2 LEU 55 HB2 LEU 55 3.832 9.336 5.143 438 HB3 LEU 55 HB1 LEU 55 3.423 10.956 4.692 439 HG LEU 55 HG LEU 55 5.095 10.495 7.120 440 HD11 LEU 55 HD11 LEU 55 6.154 10.649 4.304 441 HD12 LEU 55 HD12 LEU 55 6.140 9.203 5.314 442 HD13 LEU 55 HD13 LEU 55 7.111 10.598 5.785 443 HD21 LEU 55 HD21 LEU 55 4.922 12.728 5.102 444 HD22 LEU 55 HD22 LEU 55 5.998 12.694 6.499 445 HD23 LEU 55 HD23 LEU 55 4.251 12.736 6.731 446 H THR 56 HN THR 56 1.745 11.846 4.643 447 HA THR 56 HA THR 56 -0.883 10.546 4.371 448 HB THR 56 HB THR 56 -1.732 12.705 3.499 449 HG1 THR 56 HG1 THR 56 0.596 13.957 4.493 450 HG21 THR 56 HG21 THR 56 -1.656 13.942 5.676 451 HG22 THR 56 HG22 THR 56 -0.495 12.745 6.250 452 HG23 THR 56 HG23 THR 56 -2.131 12.251 5.817 453 H LEU 57 HN LEU 57 -1.827 10.529 2.230 454 HA LEU 57 HA LEU 57 0.047 9.688 0.248 455 HB2 LEU 57 HB2 LEU 57 -2.937 10.100 0.150 456 HB3 LEU 57 HB1 LEU 57 -2.001 9.415 -1.166 457 HG LEU 57 HG LEU 57 -1.827 8.148 1.536 458 HD11 LEU 57 HD11 LEU 57 -4.081 7.697 -0.414 459 HD12 LEU 57 HD12 LEU 57 -4.219 8.425 1.188 460 HD13 LEU 57 HD13 LEU 57 -3.749 6.734 1.025 461 HD21 LEU 57 HD21 LEU 57 -1.514 6.129 0.204 462 HD22 LEU 57 HD22 LEU 57 -0.359 7.380 -0.254 463 HD23 LEU 57 HD23 LEU 57 -1.761 7.057 -1.275 464 H ALA 58 HN ALA 58 -1.790 12.617 0.811 465 HA ALA 58 HA ALA 58 -1.356 13.718 -1.794 466 HB1 ALA 58 HB1 ALA 58 -2.217 15.097 0.740 467 HB2 ALA 58 HB2 ALA 58 -3.293 14.332 -0.429 468 HB3 ALA 58 HB3 ALA 58 -2.345 15.745 -0.895 469 H GLU 59 HN GLU 59 0.671 13.373 0.885 470 HA GLU 59 HA GLU 59 2.180 15.810 0.478 471 HB2 GLU 59 HB2 GLU 59 1.847 14.222 2.648 472 HB3 GLU 59 HB1 GLU 59 3.376 13.602 2.042 473 HG2 GLU 59 HG2 GLU 59 3.079 16.542 2.288 474 HG3 GLU 59 HG1 GLU 59 3.242 15.602 3.768 475 H TYR 60 HN TYR 60 2.257 12.497 -0.523 476 HA TYR 60 HA TYR 60 4.954 12.611 -1.521 477 HB2 TYR 60 HB2 TYR 60 2.799 10.562 -1.347 478 HB3 TYR 60 HB1 TYR 60 4.108 10.317 -2.488 479 HD1 TYR 60 HD2 TYR 60 6.421 10.015 -1.683 480 HD2 TYR 60 HD1 TYR 60 3.155 10.381 1.021 481 HE1 TYR 60 HE2 TYR 60 7.823 9.111 0.127 482 HE2 TYR 60 HE1 TYR 60 4.544 9.478 2.836 483 HH TYR 60 HH TYR 60 7.905 9.168 2.606 484 H GLY 61 HN GLY 61 1.802 13.309 -2.715 485 HA2 GLY 61 HA2 GLY 61 1.278 14.354 -4.731 486 HA3 GLY 61 HA1 GLY 61 2.917 14.047 -5.285 487 H ILE 62 HN ILE 62 0.401 11.790 -4.145 488 HA ILE 62 HA ILE 62 0.812 10.241 -6.597 489 HB ILE 62 HB ILE 62 -0.857 9.341 -4.268 490 HG12 ILE 62 HG12 ILE 62 1.967 8.454 -4.414 491 HG13 ILE 62 HG11 ILE 62 1.701 10.103 -3.858 492 HG21 ILE 62 HG21 ILE 62 -0.994 8.060 -6.347 493 HG22 ILE 62 HG22 ILE 62 -0.239 7.118 -5.062 494 HG23 ILE 62 HG23 ILE 62 0.757 7.838 -6.325 495 HD11 ILE 62 HD11 ILE 62 0.507 7.616 -2.665 496 HD12 ILE 62 HD12 ILE 62 0.213 9.264 -2.114 497 HD13 ILE 62 HD13 ILE 62 1.828 8.569 -1.992 498 H THR 63 HN THR 63 -0.816 9.698 -7.997 499 HA THR 63 HA THR 63 -3.418 11.003 -7.566 500 HB THR 63 HB THR 63 -3.501 11.209 -10.114 501 HG1 THR 63 HG1 THR 63 -0.714 10.743 -9.737 502 HG21 THR 63 HG21 THR 63 -1.470 12.849 -8.587 503 HG22 THR 63 HG22 THR 63 -3.209 13.138 -8.637 504 HG23 THR 63 HG23 THR 63 -2.243 13.321 -10.102 505 HA PRO 64 HA PRO 64 -5.283 7.078 -8.397 506 HB2 PRO 64 HB2 PRO 64 -7.473 8.329 -9.859 507 HB3 PRO 64 HB1 PRO 64 -7.492 7.559 -8.271 508 HG2 PRO 64 HG2 PRO 64 -7.800 10.220 -8.585 509 HG3 PRO 64 HG1 PRO 64 -7.037 9.501 -7.153 510 HD2 PRO 64 HD2 PRO 64 -5.759 10.802 -9.519 511 HD3 PRO 64 HD1 PRO 64 -5.335 10.913 -7.798 512 H GLY 65 HN GLY 65 -5.457 5.516 -9.961 513 HA2 GLY 65 HA2 GLY 65 -5.702 4.725 -12.183 514 HA3 GLY 65 HA1 GLY 65 -5.304 6.331 -12.770 515 H SER 66 HN SER 66 -3.210 5.340 -10.306 516 HA SER 66 HA SER 66 -1.170 4.681 -12.314 517 HB2 SER 66 HB2 SER 66 0.487 5.393 -10.632 518 HB3 SER 66 HB1 SER 66 -0.667 6.676 -10.985 519 HG SER 66 HG SER 66 -0.560 6.623 -8.810 520 H THR 67 HN THR 67 0.436 3.081 -11.761 521 HA THR 67 HA THR 67 -0.756 0.816 -10.376 522 HB THR 67 HB THR 67 1.368 -0.354 -11.270 523 HG1 THR 67 HG1 THR 67 2.352 1.790 -11.763 524 HG21 THR 67 HG21 THR 67 -0.882 -0.637 -12.226 525 HG22 THR 67 HG22 THR 67 0.365 -0.655 -13.471 526 HG23 THR 67 HG23 THR 67 -0.624 0.787 -13.234 527 H ILE 68 HN ILE 68 -0.261 0.336 -8.335 528 HA ILE 68 HA ILE 68 2.222 1.458 -7.212 529 HB ILE 68 HB ILE 68 -0.183 0.584 -5.616 530 HG12 ILE 68 HG12 ILE 68 0.418 3.469 -5.950 531 HG13 ILE 68 HG11 ILE 68 -0.286 2.657 -7.344 532 HG21 ILE 68 HG21 ILE 68 0.839 1.924 -3.842 533 HG22 ILE 68 HG22 ILE 68 2.182 2.322 -4.912 534 HG23 ILE 68 HG23 ILE 68 1.933 0.654 -4.392 535 HD11 ILE 68 HD11 ILE 68 -2.186 1.969 -6.007 536 HD12 ILE 68 HD12 ILE 68 -1.976 3.719 -5.939 537 HD13 ILE 68 HD13 ILE 68 -1.470 2.716 -4.578 538 H THR 69 HN THR 69 3.754 0.112 -6.543 539 HA THR 69 HA THR 69 3.185 -2.753 -6.474 540 HB THR 69 HB THR 69 5.828 -2.723 -6.358 541 HG1 THR 69 HG1 THR 69 6.610 -0.911 -7.590 542 HG21 THR 69 HG21 THR 69 4.658 -3.771 -8.164 543 HG22 THR 69 HG22 THR 69 5.866 -2.696 -8.868 544 HG23 THR 69 HG23 THR 69 4.170 -2.209 -8.822 545 H LEU 70 HN LEU 70 3.513 -3.945 -4.639 546 HA LEU 70 HA LEU 70 4.272 -2.419 -2.238 547 HB2 LEU 70 HB2 LEU 70 2.945 -3.984 -0.944 548 HB3 LEU 70 HB1 LEU 70 1.979 -3.247 -2.206 549 HG LEU 70 HG LEU 70 2.884 -5.549 -3.406 550 HD11 LEU 70 HD11 LEU 70 3.769 -6.413 -1.326 551 HD12 LEU 70 HD12 LEU 70 2.357 -7.348 -1.818 552 HD13 LEU 70 HD13 LEU 70 2.215 -6.153 -0.528 553 HD21 LEU 70 HD21 LEU 70 0.658 -4.663 -3.614 554 HD22 LEU 70 HD22 LEU 70 0.318 -5.017 -1.919 555 HD23 LEU 70 HD23 LEU 70 0.563 -6.334 -3.065 556 H GLU 71 HN GLU 71 5.344 -3.631 -0.519 557 HA GLU 71 HA GLU 71 6.926 -5.927 -1.405 558 HB2 GLU 71 HB2 GLU 71 8.032 -3.317 -0.377 559 HB3 GLU 71 HB1 GLU 71 8.935 -4.818 -0.235 560 HG2 GLU 71 HG2 GLU 71 8.786 -5.082 -2.695 561 HG3 GLU 71 HG1 GLU 71 8.013 -3.500 -2.779 562 H ILE 72 HN ILE 72 7.206 -7.432 0.146 563 HA ILE 72 HA ILE 72 6.217 -6.781 2.846 564 HB ILE 72 HB ILE 72 6.431 -9.570 1.720 565 HG12 ILE 72 HG12 ILE 72 3.749 -8.987 1.674 566 HG13 ILE 72 HG11 ILE 72 4.460 -7.477 1.115 567 HG21 ILE 72 HG21 ILE 72 4.774 -8.400 3.952 568 HG22 ILE 72 HG22 ILE 72 6.230 -9.377 4.142 569 HG23 ILE 72 HG23 ILE 72 4.776 -10.090 3.444 570 HD11 ILE 72 HD11 ILE 72 5.022 -10.176 -0.087 571 HD12 ILE 72 HD12 ILE 72 5.563 -8.608 -0.690 572 HD13 ILE 72 HD13 ILE 72 3.847 -9.016 -0.708 573 H LYS 73 HN LYS 73 7.390 -7.415 4.640 574 HA LYS 73 HA LYS 73 10.156 -8.258 4.092 575 HB2 LYS 73 HB2 LYS 73 10.644 -7.142 6.338 576 HB3 LYS 73 HB1 LYS 73 10.285 -6.084 4.981 577 HG2 LYS 73 HG2 LYS 73 7.954 -5.898 5.795 578 HG3 LYS 73 HG1 LYS 73 8.407 -6.863 7.202 579 HD2 LYS 73 HD2 LYS 73 10.102 -5.156 7.777 580 HD3 LYS 73 HD1 LYS 73 9.538 -4.175 6.423 581 HE2 LYS 73 HE2 LYS 73 7.336 -4.011 7.428 582 HE3 LYS 73 HE1 LYS 73 7.836 -5.066 8.747 583 HZ1 LYS 73 HZ1 LYS 73 9.009 -2.404 8.152 584 HZ2 LYS 73 HZ2 LYS 73 9.426 -3.408 9.447 585 HZ3 LYS 73 HZ3 LYS 73 7.883 -2.723 9.373 586 H LYS 74 HN LYS 74 11.116 -9.801 5.407 587 HA LYS 74 HA LYS 74 9.250 -11.331 7.095 588 HB2 LYS 74 HB2 LYS 74 10.310 -12.293 4.870 589 HB3 LYS 74 HB1 LYS 74 11.684 -12.599 5.922 590 HG2 LYS 74 HG2 LYS 74 10.251 -13.914 7.406 591 HG3 LYS 74 HG1 LYS 74 8.878 -13.612 6.337 592 HD2 LYS 74 HD2 LYS 74 10.055 -14.742 4.512 593 HD3 LYS 74 HD1 LYS 74 11.424 -15.044 5.583 594 HE2 LYS 74 HE2 LYS 74 9.996 -16.389 7.037 595 HE3 LYS 74 HE1 LYS 74 8.618 -16.072 5.984 596 HZ1 LYS 74 HZ1 LYS 74 11.093 -17.517 5.203 597 HZ2 LYS 74 HZ2 LYS 74 9.771 -17.212 4.192 598 HZ3 LYS 74 HZ3 LYS 74 9.593 -18.231 5.529 599 H LYS 75 HN LYS 75 10.004 -12.184 9.046 600 HA LYS 75 HA LYS 75 12.630 -11.210 9.955 601 HB2 LYS 75 HB2 LYS 75 9.960 -10.950 11.315 602 HB3 LYS 75 HB1 LYS 75 11.441 -10.992 12.257 603 HG2 LYS 75 HG2 LYS 75 11.233 -8.748 12.018 604 HG3 LYS 75 HG1 LYS 75 12.149 -9.094 10.551 605 HD2 LYS 75 HD2 LYS 75 10.028 -9.199 9.288 606 HD3 LYS 75 HD1 LYS 75 9.152 -8.772 10.760 607 HE2 LYS 75 HE2 LYS 75 9.428 -6.783 9.467 608 HE3 LYS 75 HE1 LYS 75 10.503 -6.673 10.861 609 HZ1 LYS 75 HZ1 LYS 75 11.636 -5.961 8.871 610 HZ2 LYS 75 HZ2 LYS 75 11.293 -7.426 8.098 611 HZ3 LYS 75 HZ3 LYS 75 12.333 -7.398 9.431 612 H GLY 76 HN GLY 76 13.641 -12.482 11.605 613 HA2 GLY 76 HA2 GLY 76 12.999 -14.521 13.105 614 HA3 GLY 76 HA1 GLY 76 12.756 -15.281 11.539 615 H GLY 77 HN GLY 77 14.754 -14.777 10.010 616 HA2 GLY 77 HA2 GLY 77 17.308 -14.355 10.726 617 HA3 GLY 77 HA1 GLY 77 17.024 -15.964 11.376 618 H LEU 78 HN LEU 78 15.939 -14.422 8.364 619 HA LEU 78 HA LEU 78 17.450 -16.442 6.858 620 HB2 LEU 78 HB2 LEU 78 14.565 -15.659 6.445 621 HB3 LEU 78 HB1 LEU 78 15.504 -16.554 5.265 622 HG LEU 78 HG LEU 78 15.302 -17.640 8.037 623 HD11 LEU 78 HD11 LEU 78 13.227 -18.801 7.440 624 HD12 LEU 78 HD12 LEU 78 13.138 -17.863 5.951 625 HD13 LEU 78 HD13 LEU 78 13.006 -17.053 7.512 626 HD21 LEU 78 HD21 LEU 78 16.757 -18.717 6.404 627 HD22 LEU 78 HD22 LEU 78 15.397 -18.895 5.296 628 HD23 LEU 78 HD23 LEU 78 15.404 -19.765 6.831 629 H GLU 79 HN GLU 79 18.650 -15.609 5.275 630 HA GLU 79 HA GLU 79 17.930 -12.971 4.188 631 HB2 GLU 79 HB2 GLU 79 19.954 -13.175 5.888 632 HB3 GLU 79 HB1 GLU 79 20.807 -13.722 4.451 633 HG2 GLU 79 HG2 GLU 79 20.233 -11.644 3.310 634 HG3 GLU 79 HG1 GLU 79 19.356 -11.099 4.741
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