NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
12555 | 1t3o | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H HIS -9 H HIS -9 12.236 26.097 0.456 2 HA HIS -9 HA HIS -9 14.250 24.404 1.823 3 1HB HIS -9 2HB HIS -9 13.845 27.412 1.810 4 2HB HIS -9 1HB HIS -9 15.095 26.543 2.691 5 HD1 HIS -9 1HD HIS -9 14.582 28.364 -0.347 6 HD2 HIS -9 2HD HIS -9 16.862 25.057 0.760 7 HE1 HIS -9 1HE HIS -9 16.360 28.138 -2.114 8 HE2 HIS -9 2HE HIS -9 17.710 26.116 -1.450 9 H SER -8 HN SER -8 13.773 23.849 3.900 10 HA SER -8 HA SER -8 12.322 23.204 5.527 11 1HB SER -8 2HB SER -8 12.655 25.571 6.289 12 2HB SER -8 1HB SER -8 11.254 26.042 5.326 13 HG SER -8 HG SER -8 10.028 24.521 6.617 14 H SER -7 HN SER -7 11.281 21.732 4.213 15 HA SER -7 HA SER -7 9.698 20.775 2.919 16 1HB SER -7 2HB SER -7 8.075 23.290 3.408 17 2HB SER -7 1HB SER -7 7.467 21.790 2.703 18 HG SER -7 HG SER -7 8.496 20.942 4.850 19 H GLY -6 HN GLY -6 8.256 21.552 0.767 20 1HA GLY -6 2HA GLY -6 8.506 22.352 -1.409 21 2HA GLY -6 1HA GLY -6 9.866 23.331 -0.863 22 H HIS -5 HN HIS -5 9.979 20.156 0.152 23 HA HIS -5 HA HIS -5 11.970 19.453 -1.896 24 1HB HIS -5 2HB HIS -5 12.904 19.681 0.363 25 2HB HIS -5 1HB HIS -5 11.714 18.554 0.989 26 HD1 HIS -5 1HD HIS -5 14.941 18.721 -0.870 27 HD2 HIS -5 2HD HIS -5 12.248 15.864 0.490 28 HE1 HIS -5 1HE HIS -5 16.133 16.513 -1.073 29 HE2 HIS -5 2HE HIS -5 14.537 14.816 -0.102 30 H ILE -4 HN ILE -4 11.613 17.623 -3.077 31 HA ILE -4 HA ILE -4 9.050 16.352 -2.786 32 HB ILE -4 HB ILE -4 9.894 16.755 -5.012 33 1HG1 ILE -4 2HG1 ILE -4 9.885 13.774 -4.535 34 2HG1 ILE -4 1HG1 ILE -4 8.429 14.764 -4.480 35 1HG2 ILE -4 1HG2 ILE -4 12.122 14.841 -4.326 36 2HG2 ILE -4 2HG2 ILE -4 12.284 16.577 -4.606 37 3HG2 ILE -4 3HG2 ILE -4 11.798 15.510 -5.926 38 1HD1 ILE -4 1HD1 ILE -4 8.641 13.694 -6.619 39 2HD1 ILE -4 2HD1 ILE -4 10.245 14.391 -6.841 40 3HD1 ILE -4 3HD1 ILE -4 8.827 15.438 -6.791 41 H GLU -3 HN GLU -3 8.673 14.844 -1.350 42 HA GLU -3 HA GLU -3 10.852 13.163 -0.398 43 1HB GLU -3 2HB GLU -3 9.253 12.528 1.389 44 2HB GLU -3 1HB GLU -3 9.593 14.249 1.325 45 1HG GLU -3 2HG GLU -3 7.481 14.570 0.075 46 2HG GLU -3 1HG GLU -3 7.128 12.860 0.315 47 H GLY -2 HN GLY -2 9.190 12.995 -2.923 48 1HA GLY -2 2HA GLY -2 9.227 11.179 -4.357 49 2HA GLY -2 1HA GLY -2 9.575 10.153 -2.970 50 H ARG -1 HN ARG -1 8.136 8.795 -4.122 51 HA ARG -1 HA ARG -1 5.437 9.132 -3.047 52 1HB ARG -1 2HB ARG -1 4.343 8.319 -4.992 53 2HB ARG -1 1HB ARG -1 5.401 9.619 -5.517 54 1HG ARG -1 2HG ARG -1 7.001 8.023 -6.371 55 2HG ARG -1 1HG ARG -1 6.035 6.685 -5.736 56 1HD ARG -1 2HD ARG -1 5.710 7.070 -8.165 57 2HD ARG -1 1HD ARG -1 4.225 7.211 -7.223 58 HE ARG -1 HE ARG -1 5.753 9.613 -7.983 59 1HH1 ARG -1 1HH1 ARG -1 2.788 7.730 -8.017 60 2HH1 ARG -1 2HH1 ARG -1 1.843 9.007 -8.732 61 1HH2 ARG -1 1HH2 ARG -1 4.503 11.285 -8.928 62 2HH2 ARG -1 2HH2 ARG -1 2.811 11.032 -9.234 63 H HIS 0 HN HIS 0 4.277 6.936 -3.067 64 HA HIS 0 HA HIS 0 6.140 4.716 -2.826 65 1HB HIS 0 2HB HIS 0 5.178 4.091 -0.588 66 2HB HIS 0 1HB HIS 0 6.213 5.513 -0.580 67 HD1 HIS 0 1HD HIS 0 5.298 7.031 1.127 68 HD2 HIS 0 2HD HIS 0 2.293 5.317 -1.164 69 HE1 HIS 0 1HE HIS 0 3.155 8.077 1.932 70 HE2 HIS 0 2HE HIS 0 1.352 7.066 0.493 71 H MET 1 HN MET 1 5.307 2.837 -3.426 72 HA MET 1 HA MET 1 2.377 2.639 -3.642 73 1HB MET 1 2HB MET 1 3.376 2.451 -5.839 74 2HB MET 1 1HB MET 1 4.523 1.253 -5.263 75 1HG MET 1 2HG MET 1 2.650 -0.283 -4.810 76 2HG MET 1 1HG MET 1 1.542 0.916 -5.475 77 1HE MET 1 1HE MET 1 0.609 -0.962 -7.167 78 2HE MET 1 2HE MET 1 1.745 -2.122 -6.478 79 3HE MET 1 3HE MET 1 1.655 -1.905 -8.228 80 H LEU 2 HN LEU 2 1.618 1.530 -1.984 81 HA LEU 2 HA LEU 2 3.329 -0.536 -0.794 82 1HB LEU 2 2HB LEU 2 2.404 1.385 0.625 83 2HB LEU 2 1HB LEU 2 0.832 0.638 0.421 84 HG LEU 2 HG LEU 2 2.140 0.149 2.592 85 1HD1 LEU 2 1HD1 LEU 2 1.311 -2.163 2.691 86 2HD1 LEU 2 2HD1 LEU 2 1.027 -2.123 0.951 87 3HD1 LEU 2 3HD1 LEU 2 0.118 -1.052 2.018 88 1HD2 LEU 2 1HD2 LEU 2 4.281 -0.360 1.523 89 2HD2 LEU 2 2HD2 LEU 2 3.553 -1.754 0.729 90 3HD2 LEU 2 3HD2 LEU 2 3.697 -1.717 2.486 91 H VAL 3 HN VAL 3 2.809 -2.580 -0.991 92 HA VAL 3 HA VAL 3 0.663 -3.267 -2.751 93 HB VAL 3 HB VAL 3 1.709 -5.582 -2.431 94 1HG1 VAL 3 1HG1 VAL 3 3.339 -3.328 -3.594 95 2HG1 VAL 3 2HG1 VAL 3 2.038 -4.193 -4.413 96 3HG1 VAL 3 3HG1 VAL 3 3.526 -5.039 -3.986 97 1HG2 VAL 3 1HG2 VAL 3 4.016 -5.581 -1.616 98 2HG2 VAL 3 2HG2 VAL 3 2.887 -5.111 -0.347 99 3HG2 VAL 3 3HG2 VAL 3 3.852 -3.884 -1.168 100 H LEU 4 HN LEU 4 -1.203 -4.083 -2.237 101 HA LEU 4 HA LEU 4 -1.666 -5.183 0.464 102 1HB LEU 4 2HB LEU 4 -3.857 -4.492 -1.459 103 2HB LEU 4 1HB LEU 4 -3.936 -4.640 0.255 104 HG LEU 4 HG LEU 4 -2.669 -2.474 0.463 105 1HD1 LEU 4 1HD1 LEU 4 -1.772 -2.420 -1.831 106 2HD1 LEU 4 2HD1 LEU 4 -2.730 -0.987 -1.458 107 3HD1 LEU 4 3HD1 LEU 4 -3.415 -2.270 -2.457 108 1HD2 LEU 4 1HD2 LEU 4 -4.694 -1.162 0.020 109 2HD2 LEU 4 2HD2 LEU 4 -5.049 -2.673 0.857 110 3HD2 LEU 4 3HD2 LEU 4 -5.371 -2.525 -0.870 111 H SER 5 HN SER 5 -2.044 -7.363 0.491 112 HA SER 5 HA SER 5 -2.302 -8.645 -2.106 113 1HB SER 5 2HB SER 5 -1.650 -9.805 0.597 114 2HB SER 5 1HB SER 5 -1.883 -10.771 -0.864 115 HG SER 5 HG SER 5 0.092 -8.795 -0.375 116 H ARG 6 HN ARG 6 -4.062 -9.331 -2.864 117 HA ARG 6 HA ARG 6 -6.309 -10.081 -1.213 118 1HB ARG 6 2HB ARG 6 -6.989 -7.883 -1.307 119 2HB ARG 6 1HB ARG 6 -6.110 -7.555 -2.790 120 1HG ARG 6 2HG ARG 6 -8.231 -9.393 -3.346 121 2HG ARG 6 1HG ARG 6 -8.871 -8.013 -2.450 122 1HD ARG 6 2HD ARG 6 -8.931 -7.637 -4.882 123 2HD ARG 6 1HD ARG 6 -7.887 -6.477 -4.061 124 HE ARG 6 HE ARG 6 -6.384 -8.711 -4.937 125 1HH1 ARG 6 1HH1 ARG 6 -8.002 -5.871 -6.217 126 2HH1 ARG 6 2HH1 ARG 6 -6.896 -5.701 -7.544 127 1HH2 ARG 6 1HH2 ARG 6 -4.950 -8.491 -6.663 128 2HH2 ARG 6 2HH2 ARG 6 -5.138 -7.189 -7.790 129 H LYS 7 HN LYS 7 -7.070 -11.894 -2.112 130 HA LYS 7 HA LYS 7 -6.053 -12.550 -4.793 131 1HB LYS 7 2HB LYS 7 -7.353 -14.559 -2.987 132 2HB LYS 7 1HB LYS 7 -6.030 -14.777 -4.127 133 1HG LYS 7 2HG LYS 7 -5.890 -13.458 -1.422 134 2HG LYS 7 1HG LYS 7 -5.155 -14.990 -1.900 135 1HD LYS 7 2HD LYS 7 -3.448 -13.973 -2.981 136 2HD LYS 7 1HD LYS 7 -4.421 -12.565 -3.428 137 1HE LYS 7 2HE LYS 7 -2.820 -11.889 -1.779 138 2HE LYS 7 1HE LYS 7 -4.421 -11.872 -1.054 139 1HZ LYS 7 1HZ LYS 7 -3.996 -13.931 0.036 140 2HZ LYS 7 2HZ LYS 7 -2.702 -12.890 0.384 141 3HZ LYS 7 3HZ LYS 7 -2.513 -14.128 -0.763 142 H ILE 8 HN ILE 8 -8.228 -10.813 -4.423 143 HA ILE 8 HA ILE 8 -10.572 -12.382 -5.270 144 HB ILE 8 HB ILE 8 -10.773 -9.692 -3.942 145 1HG1 ILE 8 2HG1 ILE 8 -9.288 -11.189 -2.533 146 2HG1 ILE 8 1HG1 ILE 8 -10.781 -10.675 -1.740 147 1HG2 ILE 8 1HG2 ILE 8 -12.773 -10.645 -4.944 148 2HG2 ILE 8 2HG2 ILE 8 -12.931 -10.585 -3.189 149 3HG2 ILE 8 3HG2 ILE 8 -12.574 -12.114 -3.992 150 1HD1 ILE 8 1HD1 ILE 8 -10.309 -13.353 -3.033 151 2HD1 ILE 8 2HD1 ILE 8 -11.785 -12.845 -2.212 152 3HD1 ILE 8 3HD1 ILE 8 -10.284 -13.016 -1.302 153 H ASN 9 HN ASN 9 -8.272 -10.271 -6.279 154 HA ASN 9 HA ASN 9 -8.049 -8.493 -7.674 155 1HB ASN 9 2HB ASN 9 -8.899 -8.873 -9.939 156 2HB ASN 9 1HB ASN 9 -8.165 -10.319 -9.269 157 1HD2 ASN 9 1HD2 ASN 9 -9.442 -12.111 -8.881 158 2HD2 ASN 9 2HD2 ASN 9 -11.071 -12.242 -9.449 159 H GLU 10 HN GLU 10 -10.305 -8.238 -5.757 160 HA GLU 10 HA GLU 10 -12.268 -6.625 -7.064 161 1HB GLU 10 2HB GLU 10 -12.993 -6.071 -4.767 162 2HB GLU 10 1HB GLU 10 -12.836 -7.803 -5.015 163 1HG GLU 10 2HG GLU 10 -10.734 -7.829 -3.836 164 2HG GLU 10 1HG GLU 10 -10.759 -6.072 -3.688 165 H ALA 11 HN ALA 11 -12.626 -4.341 -6.094 166 HA ALA 11 HA ALA 11 -10.063 -2.910 -6.334 167 1HB ALA 11 1HB ALA 11 -11.347 -1.002 -7.157 168 2HB ALA 11 2HB ALA 11 -12.845 -1.909 -6.957 169 3HB ALA 11 3HB ALA 11 -11.650 -2.431 -8.145 170 H ILE 12 HN ILE 12 -9.571 -1.282 -4.865 171 HA ILE 12 HA ILE 12 -11.224 -1.376 -2.434 172 HB ILE 12 HB ILE 12 -8.336 -0.508 -2.611 173 1HG1 ILE 12 2HG1 ILE 12 -8.478 -2.852 -3.276 174 2HG1 ILE 12 1HG1 ILE 12 -7.773 -2.719 -1.669 175 1HG2 ILE 12 1HG2 ILE 12 -9.501 0.358 -0.676 176 2HG2 ILE 12 2HG2 ILE 12 -8.378 -0.907 -0.172 177 3HG2 ILE 12 3HG2 ILE 12 -10.104 -1.253 -0.284 178 1HD1 ILE 12 1HD1 ILE 12 -10.618 -3.486 -2.287 179 2HD1 ILE 12 2HD1 ILE 12 -9.917 -3.343 -0.674 180 3HD1 ILE 12 3HD1 ILE 12 -9.326 -4.576 -1.787 181 H GLN 13 HN GLN 13 -12.544 0.294 -2.351 182 HA GLN 13 HA GLN 13 -11.506 2.973 -3.011 183 1HB GLN 13 2HB GLN 13 -13.344 2.429 -4.476 184 2HB GLN 13 1HB GLN 13 -14.314 1.851 -3.131 185 1HG GLN 13 2HG GLN 13 -15.200 3.944 -3.711 186 2HG GLN 13 1HG GLN 13 -14.270 4.212 -2.240 187 1HE2 GLN 13 1HE2 GLN 13 -12.341 5.397 -2.355 188 2HE2 GLN 13 2HE2 GLN 13 -11.941 6.370 -3.733 189 H ILE 14 HN ILE 14 -10.781 3.696 -1.046 190 HA ILE 14 HA ILE 14 -12.674 3.429 1.186 191 HB ILE 14 HB ILE 14 -10.750 3.573 2.742 192 1HG1 ILE 14 2HG1 ILE 14 -9.191 4.524 0.885 193 2HG1 ILE 14 1HG1 ILE 14 -8.524 3.430 2.087 194 1HG2 ILE 14 1HG2 ILE 14 -10.064 1.232 2.440 195 2HG2 ILE 14 2HG2 ILE 14 -10.782 1.244 0.829 196 3HG2 ILE 14 3HG2 ILE 14 -11.803 1.459 2.252 197 1HD1 ILE 14 1HD1 ILE 14 -7.683 2.914 -0.122 198 2HD1 ILE 14 2HD1 ILE 14 -9.327 2.699 -0.722 199 3HD1 ILE 14 3HD1 ILE 14 -8.677 1.589 0.484 200 H GLY 15 HN GLY 15 -13.646 5.196 1.669 201 1HA GLY 15 2HA GLY 15 -13.986 7.317 2.449 202 2HA GLY 15 1HA GLY 15 -12.265 7.375 2.780 203 H ALA 16 HN ALA 16 -13.147 6.800 -0.473 204 HA ALA 16 HA ALA 16 -13.022 8.016 -2.383 205 1HB ALA 16 1HB ALA 16 -14.904 9.228 -1.385 206 2HB ALA 16 2HB ALA 16 -13.897 10.278 -2.379 207 3HB ALA 16 3HB ALA 16 -13.772 10.344 -0.622 208 H ASP 17 HN ASP 17 -10.702 8.017 -0.252 209 HA ASP 17 HA ASP 17 -9.134 10.207 -1.421 210 1HB ASP 17 2HB ASP 17 -8.968 9.840 1.054 211 2HB ASP 17 1HB ASP 17 -8.312 8.239 0.730 212 H ILE 18 HN ILE 18 -8.955 6.722 -0.875 213 HA ILE 18 HA ILE 18 -7.128 6.525 -3.166 214 HB ILE 18 HB ILE 18 -7.149 4.986 -0.568 215 1HG1 ILE 18 2HG1 ILE 18 -5.920 7.115 -0.601 216 2HG1 ILE 18 1HG1 ILE 18 -4.832 5.745 -0.415 217 1HG2 ILE 18 1HG2 ILE 18 -5.347 3.591 -1.518 218 2HG2 ILE 18 2HG2 ILE 18 -5.630 4.328 -3.095 219 3HG2 ILE 18 3HG2 ILE 18 -6.890 3.353 -2.340 220 1HD1 ILE 18 1HD1 ILE 18 -4.233 5.900 -2.770 221 2HD1 ILE 18 2HD1 ILE 18 -3.923 7.416 -1.923 222 3HD1 ILE 18 3HD1 ILE 18 -5.338 7.262 -2.966 223 H GLU 19 HN GLU 19 -7.978 5.522 -4.827 224 HA GLU 19 HA GLU 19 -9.525 3.097 -4.387 225 1HB GLU 19 2HB GLU 19 -11.151 3.696 -6.146 226 2HB GLU 19 1HB GLU 19 -11.263 4.736 -4.739 227 1HG GLU 19 2HG GLU 19 -9.837 5.479 -7.280 228 2HG GLU 19 1HG GLU 19 -11.512 5.895 -6.921 229 H VAL 20 HN VAL 20 -8.663 1.496 -5.533 230 HA VAL 20 HA VAL 20 -7.961 1.548 -8.203 231 HB VAL 20 HB VAL 20 -6.212 3.183 -7.412 232 1HG1 VAL 20 1HG1 VAL 20 -4.260 2.349 -6.226 233 2HG1 VAL 20 2HG1 VAL 20 -5.018 0.765 -6.068 234 3HG1 VAL 20 3HG1 VAL 20 -5.717 2.164 -5.254 235 1HG2 VAL 20 1HG2 VAL 20 -5.238 0.617 -8.655 236 2HG2 VAL 20 2HG2 VAL 20 -4.360 2.147 -8.666 237 3HG2 VAL 20 3HG2 VAL 20 -5.911 2.014 -9.498 238 H LYS 21 HN LYS 21 -7.297 -0.459 -8.903 239 HA LYS 21 HA LYS 21 -6.285 -2.351 -6.911 240 1HB LYS 21 2HB LYS 21 -7.465 -4.146 -8.328 241 2HB LYS 21 1HB LYS 21 -8.433 -3.215 -7.196 242 1HG LYS 21 2HG LYS 21 -9.271 -1.827 -8.969 243 2HG LYS 21 1HG LYS 21 -8.215 -2.632 -10.141 244 1HD LYS 21 2HD LYS 21 -9.376 -4.750 -9.734 245 2HD LYS 21 1HD LYS 21 -10.423 -3.953 -8.557 246 1HE LYS 21 2HE LYS 21 -11.269 -2.482 -10.330 247 2HE LYS 21 1HE LYS 21 -10.241 -3.313 -11.499 248 1HZ LYS 21 1HZ LYS 21 -12.521 -4.142 -11.546 249 2HZ LYS 21 2HZ LYS 21 -12.418 -4.580 -9.915 250 3HZ LYS 21 3HZ LYS 21 -11.444 -5.359 -11.064 251 H VAL 22 HN VAL 22 -4.196 -2.135 -7.519 252 HA VAL 22 HA VAL 22 -3.536 -2.610 -10.333 253 HB VAL 22 HB VAL 22 -1.651 -2.072 -8.022 254 1HG1 VAL 22 1HG1 VAL 22 -0.616 -3.211 -9.920 255 2HG1 VAL 22 2HG1 VAL 22 -0.015 -1.562 -9.758 256 3HG1 VAL 22 3HG1 VAL 22 -1.201 -1.949 -11.004 257 1HG2 VAL 22 1HG2 VAL 22 -2.714 -0.134 -10.077 258 2HG2 VAL 22 2HG2 VAL 22 -1.504 0.218 -8.842 259 3HG2 VAL 22 3HG2 VAL 22 -3.156 -0.174 -8.370 260 H ILE 23 HN ILE 23 -3.642 -4.708 -10.831 261 HA ILE 23 HA ILE 23 -3.099 -6.673 -8.760 262 HB ILE 23 HB ILE 23 -4.076 -7.124 -11.574 263 1HG1 ILE 23 2HG1 ILE 23 -5.724 -7.081 -9.044 264 2HG1 ILE 23 1HG1 ILE 23 -5.542 -5.656 -10.063 265 1HG2 ILE 23 1HG2 ILE 23 -4.095 -8.900 -9.144 266 2HG2 ILE 23 2HG2 ILE 23 -3.086 -9.102 -10.576 267 3HG2 ILE 23 3HG2 ILE 23 -4.837 -9.285 -10.695 268 1HD1 ILE 23 1HD1 ILE 23 -6.741 -8.297 -10.882 269 2HD1 ILE 23 2HD1 ILE 23 -6.551 -6.891 -11.926 270 3HD1 ILE 23 3HD1 ILE 23 -7.621 -6.812 -10.529 271 H ALA 24 HN ALA 24 -1.203 -7.483 -8.506 272 HA ALA 24 HA ALA 24 0.644 -7.643 -10.789 273 1HB ALA 24 1HB ALA 24 1.334 -6.898 -7.947 274 2HB ALA 24 2HB ALA 24 1.243 -5.784 -9.309 275 3HB ALA 24 3HB ALA 24 2.471 -7.047 -9.286 276 H VAL 25 HN VAL 25 2.325 -9.255 -10.550 277 HA VAL 25 HA VAL 25 1.216 -11.674 -9.370 278 HB VAL 25 HB VAL 25 3.628 -11.395 -11.171 279 1HG1 VAL 25 1HG1 VAL 25 3.600 -13.460 -9.866 280 2HG1 VAL 25 2HG1 VAL 25 3.327 -13.783 -11.578 281 3HG1 VAL 25 3HG1 VAL 25 1.974 -13.812 -10.448 282 1HG2 VAL 25 1HG2 VAL 25 0.768 -12.044 -11.882 283 2HG2 VAL 25 2HG2 VAL 25 2.141 -12.128 -12.988 284 3HG2 VAL 25 3HG2 VAL 25 1.645 -10.576 -12.311 285 H GLU 26 HN GLU 26 1.777 -12.177 -7.392 286 HA GLU 26 HA GLU 26 4.404 -11.413 -6.323 287 1HB GLU 26 2HB GLU 26 2.223 -10.893 -5.118 288 2HB GLU 26 1HB GLU 26 2.037 -12.630 -4.896 289 1HG GLU 26 2HG GLU 26 2.921 -11.456 -2.908 290 2HG GLU 26 1HG GLU 26 3.974 -12.739 -3.504 291 H GLY 27 HN GLY 27 4.642 -13.363 -8.186 292 1HA GLY 27 2HA GLY 27 5.583 -15.463 -8.433 293 2HA GLY 27 1HA GLY 27 5.433 -15.695 -6.694 294 H ASP 28 HN ASP 28 3.280 -16.200 -5.851 295 HA ASP 28 HA ASP 28 1.478 -17.335 -7.861 296 1HB ASP 28 2HB ASP 28 1.165 -19.360 -6.653 297 2HB ASP 28 1HB ASP 28 2.906 -19.118 -6.744 298 H GLN 29 HN GLN 29 1.736 -15.002 -5.837 299 HA GLN 29 HA GLN 29 -1.007 -15.235 -4.789 300 1HB GLN 29 2HB GLN 29 0.732 -15.060 -3.031 301 2HB GLN 29 1HB GLN 29 1.296 -13.561 -3.756 302 1HG GLN 29 2HG GLN 29 -0.569 -12.369 -3.051 303 2HG GLN 29 1HG GLN 29 -1.530 -13.829 -2.785 304 1HE2 GLN 29 1HE2 GLN 29 0.839 -11.673 -1.509 305 2HE2 GLN 29 2HE2 GLN 29 0.849 -12.325 0.088 306 H VAL 30 HN VAL 30 -2.447 -13.620 -5.367 307 HA VAL 30 HA VAL 30 -1.357 -11.591 -7.188 308 HB VAL 30 HB VAL 30 -3.665 -11.253 -8.010 309 1HG1 VAL 30 1HG1 VAL 30 -3.883 -13.426 -9.205 310 2HG1 VAL 30 2HG1 VAL 30 -2.626 -14.082 -8.155 311 3HG1 VAL 30 3HG1 VAL 30 -2.254 -12.751 -9.253 312 1HG2 VAL 30 1HG2 VAL 30 -4.908 -11.936 -6.034 313 2HG2 VAL 30 2HG2 VAL 30 -4.364 -13.602 -6.249 314 3HG2 VAL 30 3HG2 VAL 30 -5.428 -12.858 -7.445 315 H LYS 31 HN LYS 31 -1.395 -9.547 -6.685 316 HA LYS 31 HA LYS 31 -2.851 -8.758 -4.282 317 1HB LYS 31 2HB LYS 31 -0.889 -7.891 -3.253 318 2HB LYS 31 1HB LYS 31 -0.514 -9.526 -3.787 319 1HG LYS 31 2HG LYS 31 0.475 -8.463 -5.862 320 2HG LYS 31 1HG LYS 31 0.338 -6.927 -5.013 321 1HD LYS 31 2HD LYS 31 1.954 -9.334 -4.224 322 2HD LYS 31 1HD LYS 31 2.548 -7.737 -4.686 323 1HE LYS 31 2HE LYS 31 1.389 -6.802 -2.692 324 2HE LYS 31 1HE LYS 31 0.986 -8.452 -2.213 325 1HZ LYS 31 1HZ LYS 31 3.698 -7.284 -2.482 326 2HZ LYS 31 2HZ LYS 31 3.407 -8.933 -2.238 327 3HZ LYS 31 3HZ LYS 31 2.941 -7.808 -1.057 328 H LEU 32 HN LEU 32 -3.281 -6.544 -4.092 329 HA LEU 32 HA LEU 32 -2.891 -4.967 -6.538 330 1HB LEU 32 2HB LEU 32 -4.572 -3.472 -5.764 331 2HB LEU 32 1HB LEU 32 -5.221 -5.090 -5.636 332 HG LEU 32 HG LEU 32 -3.937 -3.983 -3.205 333 1HD1 LEU 32 1HD1 LEU 32 -5.921 -2.652 -2.654 334 2HD1 LEU 32 2HD1 LEU 32 -6.563 -2.945 -4.271 335 3HD1 LEU 32 3HD1 LEU 32 -5.078 -2.016 -4.065 336 1HD2 LEU 32 1HD2 LEU 32 -5.863 -5.040 -2.140 337 2HD2 LEU 32 2HD2 LEU 32 -5.029 -6.165 -3.211 338 3HD2 LEU 32 3HD2 LEU 32 -6.540 -5.415 -3.725 339 H GLY 33 HN GLY 33 -2.325 -2.590 -6.120 340 1HA GLY 33 2HA GLY 33 -1.126 -2.190 -3.480 341 2HA GLY 33 1HA GLY 33 -0.069 -1.980 -4.886 342 H ILE 34 HN ILE 34 -1.033 -0.041 -2.816 343 HA ILE 34 HA ILE 34 -2.408 1.833 -4.607 344 HB ILE 34 HB ILE 34 -3.104 3.128 -2.736 345 1HG1 ILE 34 2HG1 ILE 34 -1.933 1.384 -0.651 346 2HG1 ILE 34 1HG1 ILE 34 -0.805 2.440 -1.505 347 1HG2 ILE 34 1HG2 ILE 34 -4.424 1.147 -3.200 348 2HG2 ILE 34 2HG2 ILE 34 -4.447 1.547 -1.483 349 3HG2 ILE 34 3HG2 ILE 34 -3.442 0.220 -2.067 350 1HD1 ILE 34 1HD1 ILE 34 -3.279 3.278 -0.007 351 2HD1 ILE 34 2HD1 ILE 34 -2.222 4.364 -0.908 352 3HD1 ILE 34 3HD1 ILE 34 -1.605 3.504 0.506 353 H ASP 35 HN ASP 35 -1.298 3.416 -5.493 354 HA ASP 35 HA ASP 35 1.239 4.201 -4.223 355 1HB ASP 35 2HB ASP 35 1.758 3.302 -6.380 356 2HB ASP 35 1HB ASP 35 0.464 4.214 -7.143 357 H ALA 36 HN ALA 36 1.489 6.245 -3.641 358 HA ALA 36 HA ALA 36 -0.571 8.183 -4.441 359 1HB ALA 36 1HB ALA 36 -1.169 7.258 -2.245 360 2HB ALA 36 2HB ALA 36 -0.755 8.969 -2.145 361 3HB ALA 36 3HB ALA 36 0.403 7.747 -1.618 362 HA PRO 37 HA PRO 37 2.909 10.861 -5.090 363 1HB PRO 37 2HB PRO 37 1.665 13.262 -4.919 364 2HB PRO 37 1HB PRO 37 1.464 12.179 -6.300 365 1HG PRO 37 2HG PRO 37 -0.325 12.567 -3.922 366 2HG PRO 37 1HG PRO 37 -0.760 12.458 -5.639 367 1HD PRO 37 2HD PRO 37 -1.010 10.365 -3.961 368 2HD PRO 37 1HD PRO 37 -0.568 10.157 -5.670 369 H LYS 38 HN LYS 38 2.303 9.934 -2.344 370 HA LYS 38 HA LYS 38 2.998 10.255 -0.219 371 1HB LYS 38 2HB LYS 38 5.061 10.974 -1.578 372 2HB LYS 38 1HB LYS 38 4.593 12.617 -1.157 373 1HG LYS 38 2HG LYS 38 6.285 11.760 0.351 374 2HG LYS 38 1HG LYS 38 4.776 12.076 1.206 375 1HD LYS 38 2HD LYS 38 4.365 9.857 1.588 376 2HD LYS 38 1HD LYS 38 5.222 9.334 0.134 377 1HE LYS 38 2HE LYS 38 6.506 8.668 2.048 378 2HE LYS 38 1HE LYS 38 7.364 9.968 1.214 379 1HZ LYS 38 1HZ LYS 38 7.363 10.245 3.633 380 2HZ LYS 38 2HZ LYS 38 5.669 10.308 3.637 381 3HZ LYS 38 3HZ LYS 38 6.558 11.533 2.866 382 H HIS 39 HN HIS 39 0.670 11.683 -1.296 383 HA HIS 39 HA HIS 39 0.323 14.124 0.058 384 1HB HIS 39 2HB HIS 39 -2.008 13.848 -0.358 385 2HB HIS 39 1HB HIS 39 -1.206 13.056 -1.711 386 HD1 HIS 39 1HD HIS 39 -0.586 10.492 0.264 387 HD2 HIS 39 2HD HIS 39 -4.262 12.142 -0.724 388 HE1 HIS 39 1HE HIS 39 -2.243 8.706 0.725 389 HE2 HIS 39 2HE HIS 39 -4.505 9.765 0.282 390 H ILE 40 HN ILE 40 -1.611 14.059 1.815 391 HA ILE 40 HA ILE 40 -0.577 12.540 4.061 392 HB ILE 40 HB ILE 40 -2.155 13.829 5.435 393 1HG1 ILE 40 2HG1 ILE 40 -3.708 14.090 3.310 394 2HG1 ILE 40 1HG1 ILE 40 -3.751 15.272 4.619 395 1HG2 ILE 40 1HG2 ILE 40 -0.454 15.540 3.633 396 2HG2 ILE 40 2HG2 ILE 40 0.072 14.707 5.095 397 3HG2 ILE 40 3HG2 ILE 40 -1.093 16.027 5.203 398 1HD1 ILE 40 1HD1 ILE 40 -2.312 15.546 1.985 399 2HD1 ILE 40 2HD1 ILE 40 -2.242 16.718 3.299 400 3HD1 ILE 40 3HD1 ILE 40 -3.775 16.389 2.490 401 H ASP 41 HN ASP 41 -1.892 11.058 5.191 402 HA ASP 41 HA ASP 41 -3.930 9.925 3.450 403 1HB ASP 41 2HB ASP 41 -3.780 7.991 5.173 404 2HB ASP 41 1HB ASP 41 -2.475 8.259 4.015 405 H ILE 42 HN ILE 42 -5.832 10.683 3.675 406 HA ILE 42 HA ILE 42 -6.817 11.810 6.135 407 HB ILE 42 HB ILE 42 -8.430 11.191 3.658 408 1HG1 ILE 42 2HG1 ILE 42 -6.399 12.436 3.011 409 2HG1 ILE 42 1HG1 ILE 42 -7.863 13.390 2.792 410 1HG2 ILE 42 1HG2 ILE 42 -8.733 13.277 5.814 411 2HG2 ILE 42 2HG2 ILE 42 -9.732 11.842 5.586 412 3HG2 ILE 42 3HG2 ILE 42 -9.757 13.133 4.386 413 1HD1 ILE 42 1HD1 ILE 42 -7.397 14.600 4.846 414 2HD1 ILE 42 2HD1 ILE 42 -6.043 14.718 3.722 415 3HD1 ILE 42 3HD1 ILE 42 -5.951 13.625 5.104 416 H HIS 43 HN HIS 43 -8.158 10.828 7.589 417 HA HIS 43 HA HIS 43 -9.637 8.442 6.724 418 1HB HIS 43 2HB HIS 43 -8.432 8.449 9.476 419 2HB HIS 43 1HB HIS 43 -9.055 7.095 8.534 420 HD1 HIS 43 1HD HIS 43 -6.015 8.346 9.748 421 HD2 HIS 43 2HD HIS 43 -7.211 6.802 6.073 422 HE1 HIS 43 1HE HIS 43 -3.911 7.594 8.617 423 HE2 HIS 43 2HE HIS 43 -4.700 6.359 6.575 424 H ARG 44 HN ARG 44 -11.397 7.961 8.261 425 HA ARG 44 HA ARG 44 -12.129 10.292 9.890 426 1HB ARG 44 2HB ARG 44 -14.522 9.112 9.599 427 2HB ARG 44 1HB ARG 44 -13.931 10.358 8.511 428 1HG ARG 44 2HG ARG 44 -13.078 8.501 7.039 429 2HG ARG 44 1HG ARG 44 -13.987 7.388 8.067 430 1HD ARG 44 2HD ARG 44 -15.207 8.133 6.007 431 2HD ARG 44 1HD ARG 44 -16.055 8.457 7.520 432 HE ARG 44 HE ARG 44 -14.594 10.734 6.972 433 1HH1 ARG 44 1HH1 ARG 44 -17.138 8.935 5.352 434 2HH1 ARG 44 2HH1 ARG 44 -17.810 10.348 4.599 435 1HH2 ARG 44 1HH2 ARG 44 -15.479 12.569 5.983 436 2HH2 ARG 44 2HH2 ARG 44 -16.852 12.410 4.930 437 H LYS 45 HN LYS 45 -14.295 8.757 11.186 438 HA LYS 45 HA LYS 45 -12.862 7.719 13.336 439 1HB LYS 45 2HB LYS 45 -15.661 6.945 12.498 440 2HB LYS 45 1HB LYS 45 -14.966 6.766 14.104 441 1HG LYS 45 2HG LYS 45 -15.551 9.348 12.673 442 2HG LYS 45 1HG LYS 45 -16.405 8.691 14.068 443 1HD LYS 45 2HD LYS 45 -14.446 8.951 15.449 444 2HD LYS 45 1HD LYS 45 -13.485 9.448 14.056 445 1HE LYS 45 2HE LYS 45 -14.093 11.404 15.322 446 2HE LYS 45 1HE LYS 45 -14.966 11.414 13.790 447 1HZ LYS 45 1HZ LYS 45 -16.386 12.037 15.648 448 2HZ LYS 45 2HZ LYS 45 -16.087 10.551 16.404 449 3HZ LYS 45 3HZ LYS 45 -16.931 10.601 14.931 450 H GLU 46 HN GLU 46 -11.594 6.051 13.417 451 HA GLU 46 HA GLU 46 -10.607 4.043 13.063 452 1HB GLU 46 2HB GLU 46 -13.223 3.348 12.889 453 2HB GLU 46 1HB GLU 46 -12.670 2.919 11.278 454 1HG GLU 46 2HG GLU 46 -12.495 0.998 12.656 455 2HG GLU 46 1HG GLU 46 -10.862 1.579 12.323 456 H ILE 47 HN ILE 47 -8.931 3.868 11.747 457 HA ILE 47 HA ILE 47 -8.690 5.392 9.413 458 HB ILE 47 HB ILE 47 -6.612 4.240 8.961 459 1HG1 ILE 47 2HG1 ILE 47 -7.511 2.337 11.144 460 2HG1 ILE 47 1HG1 ILE 47 -7.258 1.953 9.445 461 1HG2 ILE 47 1HG2 ILE 47 -6.626 5.976 10.669 462 2HG2 ILE 47 2HG2 ILE 47 -5.458 4.719 11.075 463 3HG2 ILE 47 3HG2 ILE 47 -7.013 4.780 11.904 464 1HD1 ILE 47 1HD1 ILE 47 -4.878 2.310 9.697 465 2HD1 ILE 47 2HD1 ILE 47 -5.455 1.131 10.876 466 3HD1 ILE 47 3HD1 ILE 47 -5.107 2.784 11.381 467 H TYR 48 HN TYR 48 -9.283 5.080 7.404 468 HA TYR 48 HA TYR 48 -10.499 2.538 6.766 469 1HB TYR 48 2HB TYR 48 -11.678 3.687 5.017 470 2HB TYR 48 1HB TYR 48 -11.783 4.591 6.519 471 HD1 TYR 48 1HD TYR 48 -9.091 4.574 4.003 472 HD2 TYR 48 2HD TYR 48 -12.202 6.793 5.850 473 HE1 TYR 48 1HE TYR 48 -8.293 6.597 2.877 474 HE2 TYR 48 2HE TYR 48 -11.407 8.843 4.741 475 HH TYR 48 HH TYR 48 -9.474 9.733 3.683 476 H LEU 49 HN LEU 49 -7.528 3.931 6.289 477 HA LEU 49 HA LEU 49 -7.127 2.781 3.621 478 1HB LEU 49 2HB LEU 49 -5.815 4.886 5.219 479 2HB LEU 49 1HB LEU 49 -4.742 3.897 4.246 480 HG LEU 49 HG LEU 49 -7.145 5.311 3.089 481 1HD1 LEU 49 1HD1 LEU 49 -5.594 7.022 2.301 482 2HD1 LEU 49 2HD1 LEU 49 -4.274 6.243 3.177 483 3HD1 LEU 49 3HD1 LEU 49 -5.621 6.964 4.064 484 1HD2 LEU 49 1HD2 LEU 49 -4.662 4.132 1.852 485 2HD2 LEU 49 2HD2 LEU 49 -5.963 4.949 0.989 486 3HD2 LEU 49 3HD2 LEU 49 -6.274 3.421 1.814 487 H THR 50 HN THR 50 -5.040 2.989 6.463 488 HA THR 50 HA THR 50 -3.504 1.632 7.345 489 HB THR 50 HB THR 50 -5.713 0.358 7.841 490 HG1 THR 50 1HG THR 50 -3.757 0.086 9.019 491 1HG2 THR 50 1HG2 THR 50 -4.407 -1.625 5.966 492 2HG2 THR 50 2HG2 THR 50 -5.939 -0.796 5.687 493 3HG2 THR 50 3HG2 THR 50 -5.788 -1.947 7.016 494 H ILE 51 HN ILE 51 -3.577 2.034 4.277 495 HA ILE 51 HA ILE 51 -1.753 -0.165 3.587 496 HB ILE 51 HB ILE 51 -2.536 1.897 1.540 497 1HG1 ILE 51 2HG1 ILE 51 -4.201 -0.560 2.029 498 2HG1 ILE 51 1HG1 ILE 51 -4.561 0.935 2.867 499 1HG2 ILE 51 1HG2 ILE 51 -0.842 0.230 1.036 500 2HG2 ILE 51 2HG2 ILE 51 -2.292 -0.036 0.069 501 3HG2 ILE 51 3HG2 ILE 51 -1.964 -1.061 1.466 502 1HD1 ILE 51 1HD1 ILE 51 -4.525 0.543 -0.099 503 2HD1 ILE 51 2HD1 ILE 51 -4.850 2.065 0.727 504 3HD1 ILE 51 3HD1 ILE 51 -5.951 0.704 0.923 505 H GLN 52 HN GLN 52 -1.826 3.346 2.775 506 HA GLN 52 HA GLN 52 1.042 3.320 2.717 507 1HB GLN 52 2HB GLN 52 1.006 5.495 1.879 508 2HB GLN 52 1HB GLN 52 -0.473 4.793 1.227 509 1HG GLN 52 2HG GLN 52 -1.827 6.057 2.588 510 2HG GLN 52 1HG GLN 52 -0.580 6.274 3.816 511 1HE2 GLN 52 1HE2 GLN 52 -0.648 8.474 3.938 512 2HE2 GLN 52 2HE2 GLN 52 -0.210 9.520 2.623 513 H GLU 53 HN GLU 53 -1.281 3.906 5.093 514 HA GLU 53 HA GLU 53 0.401 5.656 6.615 515 1HB GLU 53 2HB GLU 53 -1.292 5.523 8.278 516 2HB GLU 53 1HB GLU 53 -2.048 5.756 6.726 517 1HG GLU 53 2HG GLU 53 -2.500 3.321 6.658 518 2HG GLU 53 1HG GLU 53 -1.921 3.227 8.325 519 H GLU 54 HN GLU 54 0.087 2.329 6.124 520 HA GLU 54 HA GLU 54 1.614 1.589 8.469 521 1HB GLU 54 2HB GLU 54 0.558 0.095 6.067 522 2HB GLU 54 1HB GLU 54 1.664 -0.661 7.216 523 1HG GLU 54 2HG GLU 54 -1.028 0.519 7.878 524 2HG GLU 54 1HG GLU 54 -0.682 -1.196 7.671 525 H ASN 55 HN ASN 55 2.040 2.433 5.153 526 HA ASN 55 HA ASN 55 4.874 1.702 5.179 527 1HB ASN 55 2HB ASN 55 3.532 0.989 3.238 528 2HB ASN 55 1HB ASN 55 3.110 2.664 2.912 529 1HD2 ASN 55 1HD2 ASN 55 5.535 0.227 2.689 530 2HD2 ASN 55 2HD2 ASN 55 6.635 1.123 1.686 531 H ASN 56 HN ASN 56 3.763 4.253 3.162 532 HA ASN 56 HA ASN 56 4.082 6.480 3.038 533 1HB ASN 56 2HB ASN 56 2.924 6.367 5.263 534 2HB ASN 56 1HB ASN 56 4.511 6.450 6.021 535 1HD2 ASN 56 1HD2 ASN 56 3.902 8.404 7.018 536 2HD2 ASN 56 2HD2 ASN 56 3.852 9.887 6.140 537 H ARG 57 HN ARG 57 6.423 4.418 3.495 538 HA ARG 57 HA ARG 57 8.550 6.146 2.927 539 1HB ARG 57 2HB ARG 57 9.846 5.707 5.105 540 2HB ARG 57 1HB ARG 57 8.601 6.949 5.124 541 1HG ARG 57 2HG ARG 57 7.040 5.219 6.068 542 2HG ARG 57 1HG ARG 57 8.447 4.172 6.263 543 1HD ARG 57 2HD ARG 57 7.912 5.369 8.334 544 2HD ARG 57 1HD ARG 57 9.496 5.824 7.711 545 HE ARG 57 HE ARG 57 8.598 7.920 7.035 546 1HH1 ARG 57 1HH1 ARG 57 6.354 5.942 8.868 547 2HH1 ARG 57 2HH1 ARG 57 5.371 7.288 9.370 548 1HH2 ARG 57 1HH2 ARG 57 7.289 9.696 7.656 549 2HH2 ARG 57 2HH2 ARG 57 5.889 9.426 8.654 550 H ALA 58 HN ALA 58 8.067 3.125 4.815 551 HA ALA 58 HA ALA 58 9.049 1.467 2.750 552 1HB ALA 58 1HB ALA 58 11.173 2.579 3.229 553 2HB ALA 58 2HB ALA 58 11.234 0.858 3.606 554 3HB ALA 58 3HB ALA 58 11.074 2.040 4.905 555 H ALA 59 HN ALA 59 6.979 0.705 3.790 556 HA ALA 59 HA ALA 59 7.546 -1.106 6.032 557 1HB ALA 59 1HB ALA 59 5.127 -1.469 6.114 558 2HB ALA 59 2HB ALA 59 4.925 -0.393 4.731 559 3HB ALA 59 3HB ALA 59 5.539 0.239 6.258 560 H ALA 60 HN ALA 60 6.721 -3.347 5.867 561 HA ALA 60 HA ALA 60 6.658 -4.346 3.091 562 1HB ALA 60 1HB ALA 60 8.173 -5.579 5.390 563 2HB ALA 60 2HB ALA 60 8.871 -4.803 3.967 564 3HB ALA 60 3HB ALA 60 7.968 -6.309 3.799 565 H LEU 61 HN LEU 61 4.470 -4.668 3.047 566 HA LEU 61 HA LEU 61 3.384 -6.588 5.003 567 1HB LEU 61 2HB LEU 61 2.002 -4.388 3.467 568 2HB LEU 61 1HB LEU 61 1.131 -5.662 4.292 569 HG LEU 61 HG LEU 61 2.301 -4.874 6.424 570 1HD1 LEU 61 1HD1 LEU 61 2.819 -2.456 4.703 571 2HD1 LEU 61 2HD1 LEU 61 4.046 -3.530 5.381 572 3HD1 LEU 61 3HD1 LEU 61 3.038 -2.553 6.451 573 1HD2 LEU 61 1HD2 LEU 61 0.337 -3.072 5.020 574 2HD2 LEU 61 2HD2 LEU 61 0.678 -3.058 6.749 575 3HD2 LEU 61 3HD2 LEU 61 -0.047 -4.483 6.006 576 H SER 62 HN SER 62 2.341 -8.382 4.283 577 HA SER 62 HA SER 62 1.690 -10.073 2.872 578 1HB SER 62 2HB SER 62 0.142 -9.441 1.145 579 2HB SER 62 1HB SER 62 -0.103 -8.380 2.528 580 HG SER 62 HG SER 62 1.388 -6.907 1.311 581 H SER 63 HN SER 63 4.378 -9.457 2.638 582 HA SER 63 HA SER 63 5.017 -10.656 0.157 583 1HB SER 63 2HB SER 63 4.588 -8.268 -0.560 584 2HB SER 63 1HB SER 63 5.954 -7.795 0.450 585 HG SER 63 HG SER 63 5.918 -9.320 -1.922 586 H ASP 64 HN ASP 64 6.371 -8.404 2.526 587 HA ASP 64 HA ASP 64 8.259 -8.389 3.759 588 1HB ASP 64 2HB ASP 64 7.204 -10.379 4.791 589 2HB ASP 64 1HB ASP 64 8.073 -11.400 3.644 590 H VAL 65 HN VAL 65 9.597 -7.467 2.365 591 HA VAL 65 HA VAL 65 10.763 -8.665 0.128 592 HB VAL 65 HB VAL 65 11.854 -6.357 1.750 593 1HG1 VAL 65 1HG1 VAL 65 13.484 -7.197 0.178 594 2HG1 VAL 65 2HG1 VAL 65 12.855 -5.652 -0.398 595 3HG1 VAL 65 3HG1 VAL 65 12.296 -7.158 -1.125 596 1HG2 VAL 65 1HG2 VAL 65 10.586 -4.903 0.271 597 2HG2 VAL 65 2HG2 VAL 65 9.502 -6.021 1.101 598 3HG2 VAL 65 3HG2 VAL 65 9.938 -6.302 -0.585 599 H ILE 66 HN ILE 66 12.322 -7.825 3.221 600 HA ILE 66 HA ILE 66 14.023 -10.171 2.959 601 HB ILE 66 HB ILE 66 15.934 -8.539 3.833 602 1HG1 ILE 66 2HG1 ILE 66 15.855 -6.431 2.433 603 2HG1 ILE 66 1HG1 ILE 66 14.154 -6.772 2.141 604 1HG2 ILE 66 1HG2 ILE 66 16.101 -10.022 1.923 605 2HG2 ILE 66 2HG2 ILE 66 16.775 -8.439 1.536 606 3HG2 ILE 66 3HG2 ILE 66 15.177 -8.889 0.939 607 1HD1 ILE 66 1HD1 ILE 66 13.706 -6.591 4.530 608 2HD1 ILE 66 2HD1 ILE 66 14.440 -5.118 3.892 609 3HD1 ILE 66 3HD1 ILE 66 15.413 -6.260 4.824 610 H SER 67 HN SER 67 12.486 -7.825 4.947 611 HA SER 67 HA SER 67 12.169 -7.555 7.156 612 1HB SER 67 2HB SER 67 11.110 -9.745 6.732 613 2HB SER 67 1HB SER 67 12.617 -10.531 7.183 614 HG SER 67 HG SER 67 10.659 -9.404 8.756 615 H ALA 68 HN ALA 68 14.232 -10.282 7.888 616 HA ALA 68 HA ALA 68 16.059 -8.511 9.319 617 1HB ALA 68 1HB ALA 68 16.900 -10.558 10.354 618 2HB ALA 68 2HB ALA 68 15.836 -11.518 9.329 619 3HB ALA 68 3HB ALA 68 15.153 -10.424 10.532 620 H LEU 69 HN LEU 69 17.993 -8.013 8.604 621 HA LEU 69 HA LEU 69 19.919 -7.970 7.415 622 1HB LEU 69 2HB LEU 69 19.323 -10.833 6.670 623 2HB LEU 69 1HB LEU 69 20.876 -10.021 6.562 624 HG LEU 69 HG LEU 69 19.387 -10.591 9.129 625 1HD1 LEU 69 1HD1 LEU 69 21.812 -11.913 7.906 626 2HD1 LEU 69 2HD1 LEU 69 20.220 -12.641 8.126 627 3HD1 LEU 69 3HD1 LEU 69 21.200 -12.214 9.533 628 1HD2 LEU 69 1HD2 LEU 69 22.143 -9.458 8.640 629 2HD2 LEU 69 2HD2 LEU 69 21.475 -9.886 10.214 630 3HD2 LEU 69 3HD2 LEU 69 20.753 -8.581 9.274 631 H SER 70 HN SER 70 19.204 -6.476 5.974 632 HA SER 70 HA SER 70 17.450 -7.131 3.822 633 1HB SER 70 2HB SER 70 19.110 -4.633 4.228 634 2HB SER 70 1HB SER 70 17.676 -4.793 3.212 635 HG SER 70 HG SER 70 17.114 -3.863 5.190 636 H SER 71 HN SER 71 20.777 -7.471 4.218 637 HA SER 71 HA SER 71 21.287 -7.369 1.351 638 1HB SER 71 2HB SER 71 23.642 -7.933 2.053 639 2HB SER 71 1HB SER 71 23.028 -6.414 2.706 640 HG SER 71 HG SER 71 23.529 -7.217 4.575 641 H GLN 72 HN GLN 72 20.613 -9.576 3.899 642 HA GLN 72 HA GLN 72 20.483 -11.830 4.094 643 1HB GLN 72 2HB GLN 72 20.267 -11.669 1.083 644 2HB GLN 72 1HB GLN 72 19.950 -13.111 2.034 645 1HG GLN 72 2HG GLN 72 18.437 -10.552 2.468 646 2HG GLN 72 1HG GLN 72 17.947 -11.757 1.271 647 1HE2 GLN 72 1HE2 GLN 72 18.126 -10.949 4.613 648 2HE2 GLN 72 2HE2 GLN 72 17.258 -12.321 5.209 649 H LYS 73 HN LYS 73 22.349 -12.682 4.859 650 HA LYS 73 HA LYS 73 24.793 -12.205 3.506 651 1HB LYS 73 2HB LYS 73 25.915 -13.218 5.330 652 2HB LYS 73 1HB LYS 73 24.560 -12.332 6.001 653 1HG LYS 73 2HG LYS 73 24.590 -15.302 5.536 654 2HG LYS 73 1HG LYS 73 24.982 -14.519 7.064 655 1HD LYS 73 2HD LYS 73 22.722 -13.550 7.121 656 2HD LYS 73 1HD LYS 73 22.341 -14.390 5.615 657 1HE LYS 73 2HE LYS 73 22.788 -16.539 6.722 658 2HE LYS 73 1HE LYS 73 23.129 -15.684 8.225 659 1HZ LYS 73 1HZ LYS 73 20.533 -15.888 6.807 660 2HZ LYS 73 2HZ LYS 73 20.810 -14.796 8.068 661 3HZ LYS 73 3HZ LYS 73 20.926 -16.460 8.355 662 H LYS 74 HN LYS 74 25.338 -13.155 1.738 663 HA LYS 74 HA LYS 74 24.917 -16.055 1.481 664 1HB LYS 74 2HB LYS 74 24.824 -13.933 -0.675 665 2HB LYS 74 1HB LYS 74 24.752 -15.665 -0.974 666 1HG LYS 74 2HG LYS 74 22.661 -15.826 0.230 667 2HG LYS 74 1HG LYS 74 22.753 -14.118 0.663 668 1HD LYS 74 2HD LYS 74 22.625 -15.147 -2.170 669 2HD LYS 74 1HD LYS 74 21.223 -14.603 -1.249 670 1HE LYS 74 2HE LYS 74 23.644 -12.899 -1.810 671 2HE LYS 74 1HE LYS 74 22.183 -12.886 -2.794 672 1HZ LYS 74 1HZ LYS 74 22.126 -11.087 -1.219 673 2HZ LYS 74 2HZ LYS 74 22.380 -12.143 0.080 674 3HZ LYS 74 3HZ LYS 74 20.932 -12.216 -0.804 Start of MODEL 2 1 H HIS -9 H HIS -9 15.398 22.248 -13.484 2 HA HIS -9 HA HIS -9 17.829 21.618 -11.921 3 1HB HIS -9 2HB HIS -9 18.100 23.206 -13.863 4 2HB HIS -9 1HB HIS -9 16.935 24.266 -13.080 5 HD1 HIS -9 1HD HIS -9 18.019 26.089 -11.831 6 HD2 HIS -9 2HD HIS -9 20.346 22.643 -11.877 7 HE1 HIS -9 1HE HIS -9 20.129 26.676 -10.598 8 HE2 HIS -9 2HE HIS -9 21.588 24.629 -10.781 9 H SER -8 HN SER -8 14.606 23.021 -12.033 10 HA SER -8 HA SER -8 14.751 24.193 -9.424 11 1HB SER -8 2HB SER -8 12.274 23.466 -11.006 12 2HB SER -8 1HB SER -8 12.393 24.639 -9.695 13 HG SER -8 HG SER -8 12.773 25.018 -12.302 14 H SER -7 HN SER -7 13.955 21.053 -10.686 15 HA SER -7 HA SER -7 13.443 19.063 -9.712 16 1HB SER -7 2HB SER -7 15.400 19.744 -8.244 17 2HB SER -7 1HB SER -7 14.224 20.348 -7.079 18 HG SER -7 HG SER -7 14.028 18.384 -6.392 19 H GLY -6 HN GLY -6 11.438 21.083 -10.071 20 1HA GLY -6 2HA GLY -6 9.635 20.945 -7.819 21 2HA GLY -6 1HA GLY -6 9.280 21.614 -9.407 22 H HIS -5 HN HIS -5 10.639 18.666 -9.841 23 HA HIS -5 HA HIS -5 8.099 17.417 -10.446 24 1HB HIS -5 2HB HIS -5 9.881 17.255 -12.089 25 2HB HIS -5 1HB HIS -5 10.975 16.572 -10.892 26 HD1 HIS -5 1HD HIS -5 7.820 15.683 -12.812 27 HD2 HIS -5 2HD HIS -5 10.916 13.854 -10.723 28 HE1 HIS -5 1HE HIS -5 7.551 13.216 -13.218 29 HE2 HIS -5 2HE HIS -5 9.587 12.172 -12.169 30 H ILE -4 HN ILE -4 7.088 16.575 -8.729 31 HA ILE -4 HA ILE -4 8.648 15.432 -6.563 32 HB ILE -4 HB ILE -4 6.799 16.794 -5.874 33 1HG1 ILE -4 2HG1 ILE -4 5.499 15.179 -4.486 34 2HG1 ILE -4 1HG1 ILE -4 6.224 13.863 -5.404 35 1HG2 ILE -4 1HG2 ILE -4 5.394 16.646 -7.836 36 2HG2 ILE -4 2HG2 ILE -4 4.466 16.253 -6.388 37 3HG2 ILE -4 3HG2 ILE -4 5.011 14.965 -7.462 38 1HD1 ILE -4 1HD1 ILE -4 8.439 14.553 -4.624 39 2HD1 ILE -4 2HD1 ILE -4 7.356 14.166 -3.287 40 3HD1 ILE -4 3HD1 ILE -4 7.695 15.848 -3.686 41 H GLU -3 HN GLU -3 9.479 13.516 -7.088 42 HA GLU -3 HA GLU -3 7.674 11.478 -8.153 43 1HB GLU -3 2HB GLU -3 9.701 10.250 -8.790 44 2HB GLU -3 1HB GLU -3 9.659 11.855 -9.500 45 1HG GLU -3 2HG GLU -3 11.286 12.674 -8.020 46 2HG GLU -3 1HG GLU -3 11.165 11.249 -6.984 47 H GLY -2 HN GLY -2 8.546 12.584 -5.342 48 1HA GLY -2 2HA GLY -2 9.277 10.199 -3.925 49 2HA GLY -2 1HA GLY -2 8.742 11.714 -3.202 50 H ARG -1 HN ARG -1 7.842 8.569 -4.191 51 HA ARG -1 HA ARG -1 5.119 9.074 -3.226 52 1HB ARG -1 2HB ARG -1 4.164 7.698 -4.948 53 2HB ARG -1 1HB ARG -1 5.157 8.925 -5.720 54 1HG ARG -1 2HG ARG -1 6.948 7.297 -6.025 55 2HG ARG -1 1HG ARG -1 5.954 6.069 -5.230 56 1HD ARG -1 2HD ARG -1 5.857 5.859 -7.666 57 2HD ARG -1 1HD ARG -1 4.282 6.256 -6.984 58 HE ARG -1 HE ARG -1 5.946 8.411 -8.058 59 1HH1 ARG -1 1HH1 ARG -1 3.070 6.408 -8.263 60 2HH1 ARG -1 2HH1 ARG -1 2.322 7.408 -9.480 61 1HH2 ARG -1 1HH2 ARG -1 4.959 9.719 -9.643 62 2HH2 ARG -1 2HH2 ARG -1 3.388 9.287 -10.256 63 H HIS 0 HN HIS 0 4.012 6.993 -2.648 64 HA HIS 0 HA HIS 0 5.939 4.986 -1.731 65 1HB HIS 0 2HB HIS 0 4.494 4.651 0.302 66 2HB HIS 0 1HB HIS 0 5.379 6.167 0.255 67 HD1 HIS 0 1HD HIS 0 4.002 7.965 1.192 68 HD2 HIS 0 2HD HIS 0 1.719 5.245 -0.936 69 HE1 HIS 0 1HE HIS 0 1.641 8.815 1.336 70 HE2 HIS 0 2HE HIS 0 0.251 7.017 0.253 71 H MET 1 HN MET 1 5.468 2.982 -2.381 72 HA MET 1 HA MET 1 2.695 2.437 -3.214 73 1HB MET 1 2HB MET 1 4.175 2.389 -5.144 74 2HB MET 1 1HB MET 1 5.258 1.279 -4.324 75 1HG MET 1 2HG MET 1 3.525 -0.435 -4.317 76 2HG MET 1 1HG MET 1 2.416 0.685 -5.110 77 1HE MET 1 1HE MET 1 3.222 -1.919 -7.932 78 2HE MET 1 2HE MET 1 1.958 -1.166 -6.959 79 3HE MET 1 3HE MET 1 3.111 -2.268 -6.207 80 H LEU 2 HN LEU 2 1.740 1.279 -1.705 81 HA LEU 2 HA LEU 2 3.319 -0.746 -0.291 82 1HB LEU 2 2HB LEU 2 2.095 1.192 0.929 83 2HB LEU 2 1HB LEU 2 0.644 0.270 0.592 84 HG LEU 2 HG LEU 2 1.727 0.004 2.910 85 1HD1 LEU 2 1HD1 LEU 2 1.142 -2.377 3.021 86 2HD1 LEU 2 2HD1 LEU 2 1.077 -2.430 1.259 87 3HD1 LEU 2 3HD1 LEU 2 -0.064 -1.427 2.153 88 1HD2 LEU 2 1HD2 LEU 2 3.572 -1.764 1.307 89 2HD2 LEU 2 2HD2 LEU 2 3.463 -1.716 3.065 90 3HD2 LEU 2 3HD2 LEU 2 4.027 -0.300 2.179 91 H VAL 3 HN VAL 3 2.361 -2.879 -0.044 92 HA VAL 3 HA VAL 3 0.485 -3.454 -2.214 93 HB VAL 3 HB VAL 3 1.620 -5.750 -2.079 94 1HG1 VAL 3 1HG1 VAL 3 3.116 -3.364 -3.130 95 2HG1 VAL 3 2HG1 VAL 3 1.846 -4.251 -3.975 96 3HG1 VAL 3 3HG1 VAL 3 3.387 -5.035 -3.623 97 1HG2 VAL 3 1HG2 VAL 3 3.723 -4.072 -0.736 98 2HG2 VAL 3 2HG2 VAL 3 3.957 -5.714 -1.335 99 3HG2 VAL 3 3HG2 VAL 3 2.840 -5.412 -0.005 100 H LEU 4 HN LEU 4 -1.357 -4.439 -1.740 101 HA LEU 4 HA LEU 4 -1.680 -5.707 0.907 102 1HB LEU 4 2HB LEU 4 -3.316 -3.836 -0.517 103 2HB LEU 4 1HB LEU 4 -4.189 -5.349 -0.405 104 HG LEU 4 HG LEU 4 -3.295 -3.527 1.825 105 1HD1 LEU 4 1HD1 LEU 4 -5.926 -4.810 1.101 106 2HD1 LEU 4 2HD1 LEU 4 -5.466 -3.131 0.816 107 3HD1 LEU 4 3HD1 LEU 4 -5.641 -3.731 2.466 108 1HD2 LEU 4 1HD2 LEU 4 -4.060 -5.294 3.405 109 2HD2 LEU 4 2HD2 LEU 4 -2.578 -5.718 2.553 110 3HD2 LEU 4 3HD2 LEU 4 -4.112 -6.433 2.059 111 H SER 5 HN SER 5 -1.997 -7.878 0.900 112 HA SER 5 HA SER 5 -2.118 -9.203 -1.680 113 1HB SER 5 2HB SER 5 -1.868 -10.441 1.069 114 2HB SER 5 1HB SER 5 -1.535 -11.213 -0.484 115 HG SER 5 HG SER 5 0.267 -10.196 0.902 116 H ARG 6 HN ARG 6 -4.068 -9.480 -2.542 117 HA ARG 6 HA ARG 6 -6.179 -10.676 -0.976 118 1HB ARG 6 2HB ARG 6 -6.355 -7.878 -2.035 119 2HB ARG 6 1HB ARG 6 -7.795 -8.890 -2.029 120 1HG ARG 6 2HG ARG 6 -7.469 -9.257 0.398 121 2HG ARG 6 1HG ARG 6 -6.123 -8.121 0.352 122 1HD ARG 6 2HD ARG 6 -7.629 -6.353 -0.386 123 2HD ARG 6 1HD ARG 6 -8.975 -7.493 -0.397 124 HE ARG 6 HE ARG 6 -7.609 -7.262 2.144 125 1HH1 ARG 6 1HH1 ARG 6 -10.223 -6.048 0.140 126 2HH1 ARG 6 2HH1 ARG 6 -11.121 -5.422 1.479 127 1HH2 ARG 6 1HH2 ARG 6 -8.806 -6.452 3.893 128 2HH2 ARG 6 2HH2 ARG 6 -10.334 -5.659 3.611 129 H LYS 7 HN LYS 7 -7.072 -12.187 -2.155 130 HA LYS 7 HA LYS 7 -6.135 -12.379 -4.920 131 1HB LYS 7 2HB LYS 7 -7.533 -14.608 -3.500 132 2HB LYS 7 1HB LYS 7 -6.176 -14.673 -4.620 133 1HG LYS 7 2HG LYS 7 -6.068 -13.740 -1.756 134 2HG LYS 7 1HG LYS 7 -5.449 -15.272 -2.378 135 1HD LYS 7 2HD LYS 7 -3.617 -14.282 -3.297 136 2HD LYS 7 1HD LYS 7 -4.462 -12.761 -3.612 137 1HE LYS 7 2HE LYS 7 -2.860 -12.388 -1.872 138 2HE LYS 7 1HE LYS 7 -4.480 -12.330 -1.175 139 1HZ LYS 7 1HZ LYS 7 -4.169 -14.700 -0.522 140 2HZ LYS 7 2HZ LYS 7 -3.142 -13.623 0.282 141 3HZ LYS 7 3HZ LYS 7 -2.545 -14.576 -0.990 142 H ILE 8 HN ILE 8 -7.878 -10.591 -5.004 143 HA ILE 8 HA ILE 8 -10.503 -11.747 -5.619 144 HB ILE 8 HB ILE 8 -10.261 -9.088 -4.243 145 1HG1 ILE 8 2HG1 ILE 8 -10.536 -11.750 -2.817 146 2HG1 ILE 8 1HG1 ILE 8 -9.085 -10.749 -2.806 147 1HG2 ILE 8 1HG2 ILE 8 -12.449 -11.161 -4.354 148 2HG2 ILE 8 2HG2 ILE 8 -12.386 -9.667 -5.289 149 3HG2 ILE 8 3HG2 ILE 8 -12.550 -9.603 -3.533 150 1HD1 ILE 8 1HD1 ILE 8 -11.777 -9.967 -1.698 151 2HD1 ILE 8 2HD1 ILE 8 -10.319 -8.976 -1.675 152 3HD1 ILE 8 3HD1 ILE 8 -10.375 -10.484 -0.762 153 H ASN 9 HN ASN 9 -8.075 -9.322 -6.053 154 HA ASN 9 HA ASN 9 -7.770 -7.584 -7.475 155 1HB ASN 9 2HB ASN 9 -7.952 -8.292 -9.896 156 2HB ASN 9 1HB ASN 9 -6.924 -9.270 -8.861 157 1HD2 ASN 9 1HD2 ASN 9 -9.851 -9.159 -10.721 158 2HD2 ASN 9 2HD2 ASN 9 -10.186 -10.856 -10.639 159 H GLU 10 HN GLU 10 -10.317 -7.422 -6.297 160 HA GLU 10 HA GLU 10 -12.144 -6.316 -8.191 161 1HB GLU 10 2HB GLU 10 -12.860 -5.136 -5.877 162 2HB GLU 10 1HB GLU 10 -13.275 -6.803 -6.260 163 1HG GLU 10 2HG GLU 10 -11.671 -7.673 -4.838 164 2HG GLU 10 1HG GLU 10 -10.700 -6.199 -4.860 165 H ALA 11 HN ALA 11 -12.195 -3.900 -6.098 166 HA ALA 11 HA ALA 11 -9.732 -2.497 -6.874 167 1HB ALA 11 1HB ALA 11 -11.430 -1.773 -8.506 168 2HB ALA 11 2HB ALA 11 -10.971 -0.456 -7.428 169 3HB ALA 11 3HB ALA 11 -12.499 -1.300 -7.186 170 H ILE 12 HN ILE 12 -9.179 -0.816 -5.318 171 HA ILE 12 HA ILE 12 -10.597 -1.271 -2.779 172 HB ILE 12 HB ILE 12 -7.767 -0.321 -3.262 173 1HG1 ILE 12 2HG1 ILE 12 -8.080 -2.727 -3.587 174 2HG1 ILE 12 1HG1 ILE 12 -7.133 -2.411 -2.136 175 1HG2 ILE 12 1HG2 ILE 12 -9.212 -0.729 -0.649 176 2HG2 ILE 12 2HG2 ILE 12 -8.729 0.820 -1.338 177 3HG2 ILE 12 3HG2 ILE 12 -7.501 -0.342 -0.835 178 1HD1 ILE 12 1HD1 ILE 12 -8.683 -4.167 -1.678 179 2HD1 ILE 12 2HD1 ILE 12 -10.030 -3.208 -2.285 180 3HD1 ILE 12 3HD1 ILE 12 -9.206 -2.730 -0.796 181 H GLN 13 HN GLN 13 -12.036 0.232 -2.445 182 HA GLN 13 HA GLN 13 -11.279 3.055 -2.823 183 1HB GLN 13 2HB GLN 13 -13.015 2.515 -4.425 184 2HB GLN 13 1HB GLN 13 -13.977 1.725 -3.182 185 1HG GLN 13 2HG GLN 13 -14.980 3.820 -3.617 186 2HG GLN 13 1HG GLN 13 -14.187 3.945 -2.049 187 1HE2 GLN 13 1HE2 GLN 13 -12.337 5.227 -1.850 188 2HE2 GLN 13 2HE2 GLN 13 -11.905 6.403 -3.040 189 H ILE 14 HN ILE 14 -10.652 3.539 -0.785 190 HA ILE 14 HA ILE 14 -12.639 3.002 1.311 191 HB ILE 14 HB ILE 14 -10.838 3.273 2.994 192 1HG1 ILE 14 2HG1 ILE 14 -9.283 4.468 1.290 193 2HG1 ILE 14 1HG1 ILE 14 -8.569 3.391 2.483 194 1HG2 ILE 14 1HG2 ILE 14 -9.878 1.036 2.665 195 2HG2 ILE 14 2HG2 ILE 14 -10.489 1.037 1.010 196 3HG2 ILE 14 3HG2 ILE 14 -11.615 1.083 2.367 197 1HD1 ILE 14 1HD1 ILE 14 -9.144 2.705 -0.389 198 2HD1 ILE 14 2HD1 ILE 14 -8.423 1.629 0.805 199 3HD1 ILE 14 3HD1 ILE 14 -7.566 3.084 0.297 200 H GLY 15 HN GLY 15 -13.760 4.649 1.865 201 1HA GLY 15 2HA GLY 15 -14.248 6.706 2.756 202 2HA GLY 15 1HA GLY 15 -12.538 7.106 2.680 203 H ALA 16 HN ALA 16 -11.700 7.414 0.456 204 HA ALA 16 HA ALA 16 -13.064 8.198 -1.760 205 1HB ALA 16 1HB ALA 16 -14.315 9.811 -0.402 206 2HB ALA 16 2HB ALA 16 -13.285 10.640 -1.571 207 3HB ALA 16 3HB ALA 16 -12.803 10.551 0.124 208 H ASP 17 HN ASP 17 -10.525 8.694 0.502 209 HA ASP 17 HA ASP 17 -8.811 10.305 -1.061 210 1HB ASP 17 2HB ASP 17 -8.639 10.157 1.393 211 2HB ASP 17 1HB ASP 17 -8.156 8.470 1.255 212 H ILE 18 HN ILE 18 -8.994 6.791 -0.475 213 HA ILE 18 HA ILE 18 -7.057 6.529 -2.673 214 HB ILE 18 HB ILE 18 -7.266 4.843 -0.189 215 1HG1 ILE 18 2HG1 ILE 18 -5.926 6.888 -0.016 216 2HG1 ILE 18 1HG1 ILE 18 -4.899 5.460 0.055 217 1HG2 ILE 18 1HG2 ILE 18 -7.030 3.341 -2.095 218 2HG2 ILE 18 2HG2 ILE 18 -5.529 3.405 -1.170 219 3HG2 ILE 18 3HG2 ILE 18 -5.664 4.288 -2.691 220 1HD1 ILE 18 1HD1 ILE 18 -3.873 7.174 -1.296 221 2HD1 ILE 18 2HD1 ILE 18 -5.301 7.252 -2.329 222 3HD1 ILE 18 3HD1 ILE 18 -4.308 5.794 -2.304 223 H GLU 19 HN GLU 19 -8.050 5.945 -4.385 224 HA GLU 19 HA GLU 19 -9.628 3.461 -4.307 225 1HB GLU 19 2HB GLU 19 -11.125 5.246 -4.960 226 2HB GLU 19 1HB GLU 19 -9.955 5.861 -6.121 227 1HG GLU 19 2HG GLU 19 -10.185 3.522 -7.211 228 2HG GLU 19 1HG GLU 19 -11.681 3.431 -6.284 229 H VAL 20 HN VAL 20 -8.330 1.869 -5.101 230 HA VAL 20 HA VAL 20 -7.400 1.868 -7.728 231 HB VAL 20 HB VAL 20 -5.792 3.563 -6.977 232 1HG1 VAL 20 1HG1 VAL 20 -5.571 2.958 -4.647 233 2HG1 VAL 20 2HG1 VAL 20 -3.986 2.984 -5.420 234 3HG1 VAL 20 3HG1 VAL 20 -4.781 1.445 -5.088 235 1HG2 VAL 20 1HG2 VAL 20 -5.154 2.080 -8.788 236 2HG2 VAL 20 2HG2 VAL 20 -4.509 0.916 -7.631 237 3HG2 VAL 20 3HG2 VAL 20 -3.750 2.498 -7.805 238 H LYS 21 HN LYS 21 -7.080 -0.186 -8.321 239 HA LYS 21 HA LYS 21 -5.562 -1.904 -6.510 240 1HB LYS 21 2HB LYS 21 -8.115 -2.521 -7.831 241 2HB LYS 21 1HB LYS 21 -6.860 -3.735 -8.039 242 1HG LYS 21 2HG LYS 21 -6.605 -3.447 -5.441 243 2HG LYS 21 1HG LYS 21 -8.270 -2.868 -5.575 244 1HD LYS 21 2HD LYS 21 -8.788 -4.960 -6.859 245 2HD LYS 21 1HD LYS 21 -7.171 -5.536 -6.444 246 1HE LYS 21 2HE LYS 21 -8.854 -6.425 -4.920 247 2HE LYS 21 1HE LYS 21 -7.716 -5.375 -4.076 248 1HZ LYS 21 1HZ LYS 21 -10.129 -5.048 -3.514 249 2HZ LYS 21 2HZ LYS 21 -10.331 -4.422 -5.078 250 3HZ LYS 21 3HZ LYS 21 -9.296 -3.652 -3.994 251 H VAL 22 HN VAL 22 -3.647 -1.545 -7.502 252 HA VAL 22 HA VAL 22 -3.497 -2.485 -10.272 253 HB VAL 22 HB VAL 22 -1.099 -1.782 -10.236 254 1HG1 VAL 22 1HG1 VAL 22 -1.555 0.612 -10.434 255 2HG1 VAL 22 2HG1 VAL 22 -3.098 0.390 -9.611 256 3HG1 VAL 22 3HG1 VAL 22 -2.827 -0.350 -11.189 257 1HG2 VAL 22 1HG2 VAL 22 -0.339 -0.242 -8.480 258 2HG2 VAL 22 2HG2 VAL 22 -0.679 -1.850 -7.841 259 3HG2 VAL 22 3HG2 VAL 22 -1.830 -0.538 -7.584 260 H ILE 23 HN ILE 23 -3.330 -4.566 -10.459 261 HA ILE 23 HA ILE 23 -2.459 -6.099 -8.150 262 HB ILE 23 HB ILE 23 -3.797 -6.961 -10.715 263 1HG1 ILE 23 2HG1 ILE 23 -5.139 -5.557 -9.116 264 2HG1 ILE 23 1HG1 ILE 23 -5.802 -7.164 -9.395 265 1HG2 ILE 23 1HG2 ILE 23 -4.134 -9.126 -9.627 266 2HG2 ILE 23 2HG2 ILE 23 -3.182 -8.582 -8.246 267 3HG2 ILE 23 3HG2 ILE 23 -2.421 -8.765 -9.827 268 1HD1 ILE 23 1HD1 ILE 23 -4.860 -7.913 -7.271 269 2HD1 ILE 23 2HD1 ILE 23 -5.942 -6.536 -7.056 270 3HD1 ILE 23 3HD1 ILE 23 -4.194 -6.303 -7.001 271 H ALA 24 HN ALA 24 -0.698 -7.291 -8.039 272 HA ALA 24 HA ALA 24 0.957 -7.585 -10.459 273 1HB ALA 24 1HB ALA 24 2.949 -7.346 -9.055 274 2HB ALA 24 2HB ALA 24 1.926 -7.065 -7.646 275 3HB ALA 24 3HB ALA 24 1.938 -5.903 -8.972 276 H VAL 25 HN VAL 25 2.216 -9.509 -10.530 277 HA VAL 25 HA VAL 25 0.852 -11.671 -9.164 278 HB VAL 25 HB VAL 25 1.088 -11.970 -11.536 279 1HG1 VAL 25 1HG1 VAL 25 4.059 -11.712 -11.134 280 2HG1 VAL 25 2HG1 VAL 25 3.010 -10.538 -11.931 281 3HG1 VAL 25 3HG1 VAL 25 3.256 -12.132 -12.647 282 1HG2 VAL 25 1HG2 VAL 25 2.999 -13.789 -10.077 283 2HG2 VAL 25 2HG2 VAL 25 2.229 -14.129 -11.628 284 3HG2 VAL 25 3HG2 VAL 25 1.249 -13.981 -10.169 285 H GLU 26 HN GLU 26 1.569 -12.537 -7.443 286 HA GLU 26 HA GLU 26 4.186 -11.845 -6.393 287 1HB GLU 26 2HB GLU 26 1.987 -11.655 -5.136 288 2HB GLU 26 1HB GLU 26 1.939 -13.412 -5.120 289 1HG GLU 26 2HG GLU 26 2.708 -12.465 -3.010 290 2HG GLU 26 1HG GLU 26 3.933 -13.492 -3.764 291 H GLY 27 HN GLY 27 3.865 -13.735 -8.596 292 1HA GLY 27 2HA GLY 27 5.111 -15.669 -9.138 293 2HA GLY 27 1HA GLY 27 5.151 -16.090 -7.428 294 H ASP 28 HN ASP 28 2.819 -16.389 -6.514 295 HA ASP 28 HA ASP 28 1.119 -17.752 -8.479 296 1HB ASP 28 2HB ASP 28 2.286 -19.520 -7.339 297 2HB ASP 28 1HB ASP 28 1.971 -18.791 -5.771 298 H GLN 29 HN GLN 29 1.379 -15.325 -6.376 299 HA GLN 29 HA GLN 29 -1.413 -15.494 -5.465 300 1HB GLN 29 2HB GLN 29 0.190 -15.554 -3.621 301 2HB GLN 29 1HB GLN 29 0.949 -14.085 -4.216 302 1HG GLN 29 2HG GLN 29 -1.098 -12.843 -3.788 303 2HG GLN 29 1HG GLN 29 -1.864 -14.314 -3.199 304 1HE2 GLN 29 1HE2 GLN 29 0.439 -11.828 -2.542 305 2HE2 GLN 29 2HE2 GLN 29 0.631 -12.185 -0.867 306 H VAL 30 HN VAL 30 -2.688 -13.604 -5.606 307 HA VAL 30 HA VAL 30 -1.535 -11.494 -7.294 308 HB VAL 30 HB VAL 30 -3.839 -10.874 -7.928 309 1HG1 VAL 30 1HG1 VAL 30 -4.332 -12.879 -9.322 310 2HG1 VAL 30 2HG1 VAL 30 -3.076 -13.746 -8.434 311 3HG1 VAL 30 3HG1 VAL 30 -2.655 -12.341 -9.413 312 1HG2 VAL 30 1HG2 VAL 30 -4.646 -13.335 -6.384 313 2HG2 VAL 30 2HG2 VAL 30 -5.706 -12.368 -7.413 314 3HG2 VAL 30 3HG2 VAL 30 -5.012 -11.664 -5.950 315 H LYS 31 HN LYS 31 -1.265 -9.582 -6.478 316 HA LYS 31 HA LYS 31 -2.693 -8.876 -4.021 317 1HB LYS 31 2HB LYS 31 -0.700 -8.372 -2.869 318 2HB LYS 31 1HB LYS 31 -0.360 -9.895 -3.683 319 1HG LYS 31 2HG LYS 31 0.679 -8.519 -5.532 320 2HG LYS 31 1HG LYS 31 0.539 -7.133 -4.455 321 1HD LYS 31 2HD LYS 31 2.091 -9.663 -3.939 322 2HD LYS 31 1HD LYS 31 2.763 -8.078 -4.321 323 1HE LYS 31 2HE LYS 31 1.608 -7.236 -2.235 324 2HE LYS 31 1HE LYS 31 1.292 -8.927 -1.839 325 1HZ LYS 31 1HZ LYS 31 3.718 -9.314 -1.992 326 2HZ LYS 31 2HZ LYS 31 3.295 -8.249 -0.745 327 3HZ LYS 31 3HZ LYS 31 3.952 -7.647 -2.181 328 H LEU 32 HN LEU 32 -2.926 -6.607 -3.707 329 HA LEU 32 HA LEU 32 -2.669 -5.085 -6.209 330 1HB LEU 32 2HB LEU 32 -4.269 -3.521 -5.208 331 2HB LEU 32 1HB LEU 32 -4.933 -5.136 -5.323 332 HG LEU 32 HG LEU 32 -3.679 -4.849 -2.774 333 1HD1 LEU 32 1HD1 LEU 32 -3.915 -2.452 -3.080 334 2HD1 LEU 32 2HD1 LEU 32 -5.009 -3.037 -1.829 335 3HD1 LEU 32 3HD1 LEU 32 -5.631 -2.653 -3.434 336 1HD2 LEU 32 1HD2 LEU 32 -5.946 -5.312 -1.956 337 2HD2 LEU 32 2HD2 LEU 32 -5.472 -6.399 -3.262 338 3HD2 LEU 32 3HD2 LEU 32 -6.574 -5.060 -3.585 339 H GLY 33 HN GLY 33 -2.137 -2.783 -5.991 340 1HA GLY 33 2HA GLY 33 -0.479 -2.214 -3.624 341 2HA GLY 33 1HA GLY 33 0.097 -1.852 -5.246 342 H ILE 34 HN ILE 34 -0.901 -0.317 -2.678 343 HA ILE 34 HA ILE 34 -2.463 1.638 -4.202 344 HB ILE 34 HB ILE 34 -2.967 2.797 -2.143 345 1HG1 ILE 34 2HG1 ILE 34 -0.787 2.309 -1.009 346 2HG1 ILE 34 1HG1 ILE 34 -2.189 2.124 0.039 347 1HG2 ILE 34 1HG2 ILE 34 -4.308 1.108 -1.005 348 2HG2 ILE 34 2HG2 ILE 34 -3.416 -0.163 -1.842 349 3HG2 ILE 34 3HG2 ILE 34 -4.420 0.962 -2.759 350 1HD1 ILE 34 1HD1 ILE 34 -2.094 -0.272 -0.248 351 2HD1 ILE 34 2HD1 ILE 34 -0.588 0.377 0.400 352 3HD1 ILE 34 3HD1 ILE 34 -0.690 -0.087 -1.298 353 H ASP 35 HN ASP 35 -1.230 2.966 -5.308 354 HA ASP 35 HA ASP 35 1.130 4.049 -3.956 355 1HB ASP 35 2HB ASP 35 2.023 2.603 -5.612 356 2HB ASP 35 1HB ASP 35 0.872 3.151 -6.818 357 H ALA 36 HN ALA 36 1.185 6.133 -3.809 358 HA ALA 36 HA ALA 36 -0.501 7.798 -5.522 359 1HB ALA 36 1HB ALA 36 -0.554 7.840 -2.500 360 2HB ALA 36 2HB ALA 36 -1.853 7.281 -3.552 361 3HB ALA 36 3HB ALA 36 -1.385 8.982 -3.555 362 HA PRO 37 HA PRO 37 3.002 10.464 -5.522 363 1HB PRO 37 2HB PRO 37 1.868 12.927 -5.665 364 2HB PRO 37 1HB PRO 37 1.860 11.790 -7.019 365 1HG PRO 37 2HG PRO 37 -0.295 12.357 -5.007 366 2HG PRO 37 1HG PRO 37 -0.429 12.191 -6.769 367 1HD PRO 37 2HD PRO 37 -1.068 10.187 -5.094 368 2HD PRO 37 1HD PRO 37 -0.334 9.880 -6.684 369 H LYS 38 HN LYS 38 1.991 9.692 -2.860 370 HA LYS 38 HA LYS 38 2.398 10.135 -0.682 371 1HB LYS 38 2HB LYS 38 4.466 11.536 -2.190 372 2HB LYS 38 1HB LYS 38 4.249 12.113 -0.544 373 1HG LYS 38 2HG LYS 38 4.530 9.204 -1.136 374 2HG LYS 38 1HG LYS 38 5.948 10.247 -0.999 375 1HD LYS 38 2HD LYS 38 3.857 10.320 1.128 376 2HD LYS 38 1HD LYS 38 5.007 8.981 1.091 377 1HE LYS 38 2HE LYS 38 6.005 10.560 2.500 378 2HE LYS 38 1HE LYS 38 6.827 10.757 0.952 379 1HZ LYS 38 1HZ LYS 38 6.222 12.886 2.001 380 2HZ LYS 38 2HZ LYS 38 4.583 12.466 1.897 381 3HZ LYS 38 3HZ LYS 38 5.497 12.688 0.481 382 H HIS 39 HN HIS 39 0.292 11.608 -2.013 383 HA HIS 39 HA HIS 39 -0.089 14.130 -0.874 384 1HB HIS 39 2HB HIS 39 -2.439 13.776 -1.263 385 2HB HIS 39 1HB HIS 39 -1.574 12.982 -2.580 386 HD1 HIS 39 1HD HIS 39 -0.829 10.385 -1.034 387 HD2 HIS 39 2HD HIS 39 -4.605 12.078 -1.040 388 HE1 HIS 39 1HE HIS 39 -2.369 8.561 -0.357 389 HE2 HIS 39 2HE HIS 39 -4.640 9.649 -0.184 390 H ILE 40 HN ILE 40 -2.211 14.117 0.769 391 HA ILE 40 HA ILE 40 -1.177 13.184 3.271 392 HB ILE 40 HB ILE 40 -3.072 14.283 4.299 393 1HG1 ILE 40 2HG1 ILE 40 -4.603 13.623 2.281 394 2HG1 ILE 40 1HG1 ILE 40 -4.955 15.090 3.193 395 1HG2 ILE 40 1HG2 ILE 40 -2.678 16.589 3.548 396 2HG2 ILE 40 2HG2 ILE 40 -1.836 15.964 2.128 397 3HG2 ILE 40 3HG2 ILE 40 -1.183 15.673 3.740 398 1HD1 ILE 40 1HD1 ILE 40 -3.657 14.866 0.489 399 2HD1 ILE 40 2HD1 ILE 40 -3.726 16.363 1.415 400 3HD1 ILE 40 3HD1 ILE 40 -5.218 15.583 0.889 401 H ASP 41 HN ASP 41 -2.318 11.851 4.708 402 HA ASP 41 HA ASP 41 -3.885 9.821 3.302 403 1HB ASP 41 2HB ASP 41 -3.238 8.371 5.295 404 2HB ASP 41 1HB ASP 41 -1.894 8.963 4.310 405 H ILE 42 HN ILE 42 -5.954 10.317 3.406 406 HA ILE 42 HA ILE 42 -7.042 11.732 5.704 407 HB ILE 42 HB ILE 42 -8.439 10.916 3.149 408 1HG1 ILE 42 2HG1 ILE 42 -7.073 13.522 3.848 409 2HG1 ILE 42 1HG1 ILE 42 -6.459 12.317 2.722 410 1HG2 ILE 42 1HG2 ILE 42 -9.931 11.474 5.016 411 2HG2 ILE 42 2HG2 ILE 42 -10.033 12.666 3.721 412 3HG2 ILE 42 3HG2 ILE 42 -9.126 13.032 5.188 413 1HD1 ILE 42 1HD1 ILE 42 -9.023 13.862 2.394 414 2HD1 ILE 42 2HD1 ILE 42 -8.351 12.696 1.251 415 3HD1 ILE 42 3HD1 ILE 42 -7.499 14.206 1.577 416 H HIS 43 HN HIS 43 -8.598 10.932 7.079 417 HA HIS 43 HA HIS 43 -9.627 8.225 6.584 418 1HB HIS 43 2HB HIS 43 -8.645 8.971 9.330 419 2HB HIS 43 1HB HIS 43 -9.047 7.376 8.697 420 HD1 HIS 43 1HD HIS 43 -6.241 9.279 9.634 421 HD2 HIS 43 2HD HIS 43 -7.091 6.786 6.414 422 HE1 HIS 43 1HE HIS 43 -4.009 8.574 8.716 423 HE2 HIS 43 2HE HIS 43 -4.551 7.266 6.644 424 H ARG 44 HN ARG 44 -11.410 7.687 8.104 425 HA ARG 44 HA ARG 44 -12.914 10.107 8.838 426 1HB ARG 44 2HB ARG 44 -13.983 8.578 7.181 427 2HB ARG 44 1HB ARG 44 -13.954 7.301 8.386 428 1HG ARG 44 2HG ARG 44 -16.127 8.120 8.465 429 2HG ARG 44 1HG ARG 44 -15.330 8.876 9.844 430 1HD ARG 44 2HD ARG 44 -15.693 10.190 7.154 431 2HD ARG 44 1HD ARG 44 -16.787 10.405 8.517 432 HE ARG 44 HE ARG 44 -14.537 11.172 9.645 433 1HH1 ARG 44 1HH1 ARG 44 -15.683 11.855 6.408 434 2HH1 ARG 44 2HH1 ARG 44 -14.935 13.419 6.340 435 1HH2 ARG 44 1HH2 ARG 44 -13.554 13.243 9.562 436 2HH2 ARG 44 2HH2 ARG 44 -13.731 14.214 8.124 437 H LYS 45 HN LYS 45 -12.685 6.701 9.886 438 HA LYS 45 HA LYS 45 -12.236 7.594 12.645 439 1HB LYS 45 2HB LYS 45 -14.345 5.569 11.858 440 2HB LYS 45 1HB LYS 45 -13.894 5.992 13.501 441 1HG LYS 45 2HG LYS 45 -14.666 8.300 13.077 442 2HG LYS 45 1HG LYS 45 -15.205 7.790 11.477 443 1HD LYS 45 2HD LYS 45 -16.178 6.675 14.104 444 2HD LYS 45 1HD LYS 45 -17.048 7.826 13.090 445 1HE LYS 45 2HE LYS 45 -17.105 6.169 11.281 446 2HE LYS 45 1HE LYS 45 -16.261 5.020 12.318 447 1HZ LYS 45 1HZ LYS 45 -18.657 4.647 12.298 448 2HZ LYS 45 2HZ LYS 45 -18.923 6.212 12.897 449 3HZ LYS 45 3HZ LYS 45 -18.115 5.065 13.850 450 H GLU 46 HN GLU 46 -10.596 6.489 13.519 451 HA GLU 46 HA GLU 46 -9.083 4.859 13.993 452 1HB GLU 46 2HB GLU 46 -11.292 3.084 12.945 453 2HB GLU 46 1HB GLU 46 -9.887 2.516 13.838 454 1HG GLU 46 2HG GLU 46 -10.589 3.547 15.818 455 2HG GLU 46 1HG GLU 46 -11.758 4.563 14.975 456 H ILE 47 HN ILE 47 -8.939 6.122 11.441 457 HA ILE 47 HA ILE 47 -8.128 6.037 9.353 458 HB ILE 47 HB ILE 47 -6.044 4.984 8.965 459 1HG1 ILE 47 2HG1 ILE 47 -6.506 3.340 11.466 460 2HG1 ILE 47 1HG1 ILE 47 -6.534 2.727 9.815 461 1HG2 ILE 47 1HG2 ILE 47 -4.760 5.750 10.917 462 2HG2 ILE 47 2HG2 ILE 47 -6.258 5.858 11.841 463 3HG2 ILE 47 3HG2 ILE 47 -6.008 6.900 10.440 464 1HD1 ILE 47 1HD1 ILE 47 -4.447 2.181 10.902 465 2HD1 ILE 47 2HD1 ILE 47 -4.149 3.886 11.240 466 3HD1 ILE 47 3HD1 ILE 47 -4.168 3.309 9.573 467 H TYR 48 HN TYR 48 -9.257 5.433 7.702 468 HA TYR 48 HA TYR 48 -10.267 2.751 7.547 469 1HB TYR 48 2HB TYR 48 -11.611 3.539 5.678 470 2HB TYR 48 1HB TYR 48 -11.731 4.603 7.066 471 HD1 TYR 48 1HD TYR 48 -9.089 4.613 4.422 472 HD2 TYR 48 2HD TYR 48 -12.425 6.568 6.180 473 HE1 TYR 48 1HE TYR 48 -8.736 6.542 2.941 474 HE2 TYR 48 2HE TYR 48 -12.074 8.507 4.723 475 HH TYR 48 HH TYR 48 -10.157 9.528 3.438 476 H LEU 49 HN LEU 49 -7.470 4.181 6.616 477 HA LEU 49 HA LEU 49 -7.132 2.723 4.124 478 1HB LEU 49 2HB LEU 49 -5.702 4.896 5.545 479 2HB LEU 49 1HB LEU 49 -4.736 3.847 4.524 480 HG LEU 49 HG LEU 49 -7.223 5.137 3.453 481 1HD1 LEU 49 1HD1 LEU 49 -5.856 6.976 2.635 482 2HD1 LEU 49 2HD1 LEU 49 -4.456 6.333 3.495 483 3HD1 LEU 49 3HD1 LEU 49 -5.850 6.929 4.397 484 1HD2 LEU 49 1HD2 LEU 49 -6.206 3.314 2.200 485 2HD2 LEU 49 2HD2 LEU 49 -4.657 4.161 2.214 486 3HD2 LEU 49 3HD2 LEU 49 -6.031 4.848 1.345 487 H THR 50 HN THR 50 -4.756 3.166 6.682 488 HA THR 50 HA THR 50 -3.450 1.753 7.835 489 HB THR 50 HB THR 50 -5.813 0.209 7.498 490 HG1 THR 50 1HG THR 50 -3.669 -0.286 9.306 491 1HG2 THR 50 1HG2 THR 50 -4.912 -2.074 7.618 492 2HG2 THR 50 2HG2 THR 50 -3.295 -1.450 7.292 493 3HG2 THR 50 3HG2 THR 50 -4.555 -1.317 6.065 494 H ILE 51 HN ILE 51 -4.186 0.954 4.548 495 HA ILE 51 HA ILE 51 -1.893 -0.687 4.137 496 HB ILE 51 HB ILE 51 -2.844 0.702 1.750 497 1HG1 ILE 51 2HG1 ILE 51 -4.776 -1.089 3.233 498 2HG1 ILE 51 1HG1 ILE 51 -4.915 0.658 3.145 499 1HG2 ILE 51 1HG2 ILE 51 -2.697 -2.200 2.588 500 2HG2 ILE 51 2HG2 ILE 51 -1.447 -1.304 1.725 501 3HG2 ILE 51 3HG2 ILE 51 -2.999 -1.624 0.948 502 1HD1 ILE 51 1HD1 ILE 51 -5.035 -1.246 0.826 503 2HD1 ILE 51 2HD1 ILE 51 -5.146 0.513 0.717 504 3HD1 ILE 51 3HD1 ILE 51 -6.399 -0.401 1.560 505 H GLN 52 HN GLN 52 -2.619 2.563 2.772 506 HA GLN 52 HA GLN 52 0.144 3.098 2.362 507 1HB GLN 52 2HB GLN 52 -0.407 5.062 1.419 508 2HB GLN 52 1HB GLN 52 -1.917 4.184 1.196 509 1HG GLN 52 2HG GLN 52 -2.969 5.383 2.918 510 2HG GLN 52 1HG GLN 52 -1.430 5.994 3.537 511 1HE2 GLN 52 1HE2 GLN 52 -3.662 7.591 2.783 512 2HE2 GLN 52 2HE2 GLN 52 -3.156 8.545 1.460 513 H GLU 53 HN GLU 53 -1.942 3.343 5.037 514 HA GLU 53 HA GLU 53 -0.546 5.370 6.460 515 1HB GLU 53 2HB GLU 53 -2.862 4.770 6.990 516 2HB GLU 53 1HB GLU 53 -2.348 3.152 7.450 517 1HG GLU 53 2HG GLU 53 -2.703 4.406 9.433 518 2HG GLU 53 1HG GLU 53 -0.974 4.161 9.233 519 H GLU 54 HN GLU 54 -0.373 1.847 6.342 520 HA GLU 54 HA GLU 54 1.650 1.481 8.257 521 1HB GLU 54 2HB GLU 54 0.455 -0.062 6.047 522 2HB GLU 54 1HB GLU 54 2.103 -0.532 6.484 523 1HG GLU 54 2HG GLU 54 1.392 -0.798 8.821 524 2HG GLU 54 1HG GLU 54 -0.247 -0.346 8.366 525 H ASN 55 HN ASN 55 1.755 2.052 4.790 526 HA ASN 55 HA ASN 55 4.653 2.162 4.785 527 1HB ASN 55 2HB ASN 55 3.267 1.255 2.873 528 2HB ASN 55 1HB ASN 55 2.733 2.905 2.582 529 1HD2 ASN 55 1HD2 ASN 55 4.274 0.984 0.959 530 2HD2 ASN 55 2HD2 ASN 55 5.709 1.833 0.491 531 H ASN 56 HN ASN 56 3.130 4.401 2.775 532 HA ASN 56 HA ASN 56 2.985 6.661 2.638 533 1HB ASN 56 2HB ASN 56 1.628 6.338 4.675 534 2HB ASN 56 1HB ASN 56 3.082 6.568 5.649 535 1HD2 ASN 56 1HD2 ASN 56 2.350 8.354 6.700 536 2HD2 ASN 56 2HD2 ASN 56 2.104 9.880 5.919 537 H ARG 57 HN ARG 57 5.588 5.178 4.157 538 HA ARG 57 HA ARG 57 7.620 7.000 3.667 539 1HB ARG 57 2HB ARG 57 7.905 7.769 6.119 540 2HB ARG 57 1HB ARG 57 6.692 8.594 5.147 541 1HG ARG 57 2HG ARG 57 5.386 8.216 6.937 542 2HG ARG 57 1HG ARG 57 5.181 6.631 6.184 543 1HD ARG 57 2HD ARG 57 5.650 6.285 8.491 544 2HD ARG 57 1HD ARG 57 7.077 5.805 7.575 545 HE ARG 57 HE ARG 57 8.212 7.726 8.372 546 1HH1 ARG 57 1HH1 ARG 57 4.983 7.388 9.679 547 2HH1 ARG 57 2HH1 ARG 57 5.275 8.417 11.046 548 1HH2 ARG 57 1HH2 ARG 57 8.622 9.066 10.185 549 2HH2 ARG 57 2HH2 ARG 57 7.337 9.411 11.313 550 H ALA 58 HN ALA 58 6.182 4.635 5.794 551 HA ALA 58 HA ALA 58 8.796 3.382 6.224 552 1HB ALA 58 1HB ALA 58 7.759 2.180 8.074 553 2HB ALA 58 2HB ALA 58 6.201 2.917 7.693 554 3HB ALA 58 3HB ALA 58 7.537 3.921 8.261 555 H ALA 59 HN ALA 59 8.293 2.919 3.833 556 HA ALA 59 HA ALA 59 6.517 0.946 3.011 557 1HB ALA 59 1HB ALA 59 8.044 0.585 1.130 558 2HB ALA 59 2HB ALA 59 9.297 1.498 1.972 559 3HB ALA 59 3HB ALA 59 7.816 2.303 1.456 560 H ALA 60 HN ALA 60 7.051 -1.275 2.326 561 HA ALA 60 HA ALA 60 7.624 -2.931 4.442 562 1HB ALA 60 1HB ALA 60 7.970 -3.545 1.509 563 2HB ALA 60 2HB ALA 60 6.468 -3.671 2.425 564 3HB ALA 60 3HB ALA 60 7.824 -4.736 2.801 565 H LEU 61 HN LEU 61 9.425 -3.013 5.583 566 HA LEU 61 HA LEU 61 11.988 -2.497 4.297 567 1HB LEU 61 2HB LEU 61 11.314 -1.260 6.349 568 2HB LEU 61 1HB LEU 61 11.310 -2.778 7.226 569 HG LEU 61 HG LEU 61 13.736 -3.017 6.755 570 1HD1 LEU 61 1HD1 LEU 61 13.825 -1.676 4.716 571 2HD1 LEU 61 2HD1 LEU 61 14.977 -1.091 5.916 572 3HD1 LEU 61 3HD1 LEU 61 13.465 -0.225 5.650 573 1HD2 LEU 61 1HD2 LEU 61 12.947 -2.052 8.860 574 2HD2 LEU 61 2HD2 LEU 61 12.944 -0.448 8.125 575 3HD2 LEU 61 3HD2 LEU 61 14.463 -1.316 8.344 576 H SER 62 HN SER 62 13.745 -3.859 4.486 577 HA SER 62 HA SER 62 14.844 -5.823 4.389 578 1HB SER 62 2HB SER 62 12.938 -6.549 6.615 579 2HB SER 62 1HB SER 62 14.442 -7.386 6.239 580 HG SER 62 HG SER 62 14.058 -5.214 7.752 581 H SER 63 HN SER 63 14.080 -8.450 4.663 582 HA SER 63 HA SER 63 11.933 -8.748 2.693 583 1HB SER 63 2HB SER 63 14.240 -10.613 3.295 584 2HB SER 63 1HB SER 63 12.995 -10.878 2.075 585 HG SER 63 HG SER 63 13.729 -8.793 1.175 586 H ASP 64 HN ASP 64 11.797 -8.454 5.630 587 HA ASP 64 HA ASP 64 10.900 -11.126 6.448 588 1HB ASP 64 2HB ASP 64 12.670 -9.763 7.776 589 2HB ASP 64 1HB ASP 64 11.307 -8.788 8.308 590 H VAL 65 HN VAL 65 9.423 -9.467 4.738 591 HA VAL 65 HA VAL 65 7.158 -8.526 6.323 592 HB VAL 65 HB VAL 65 7.808 -8.396 3.394 593 1HG1 VAL 65 1HG1 VAL 65 5.386 -8.520 3.681 594 2HG1 VAL 65 2HG1 VAL 65 5.860 -6.898 3.174 595 3HG1 VAL 65 3HG1 VAL 65 5.445 -7.209 4.859 596 1HG2 VAL 65 1HG2 VAL 65 8.046 -5.979 3.800 597 2HG2 VAL 65 2HG2 VAL 65 9.188 -6.939 4.744 598 3HG2 VAL 65 3HG2 VAL 65 7.756 -6.261 5.517 599 H ILE 66 HN ILE 66 8.057 -10.864 3.852 600 HA ILE 66 HA ILE 66 7.400 -13.022 3.581 601 HB ILE 66 HB ILE 66 5.273 -12.501 5.668 602 1HG1 ILE 66 2HG1 ILE 66 7.555 -12.159 6.517 603 2HG1 ILE 66 1HG1 ILE 66 6.818 -13.596 7.226 604 1HG2 ILE 66 1HG2 ILE 66 4.754 -14.411 4.240 605 2HG2 ILE 66 2HG2 ILE 66 5.179 -14.936 5.870 606 3HG2 ILE 66 3HG2 ILE 66 6.350 -15.093 4.560 607 1HD1 ILE 66 1HD1 ILE 66 9.140 -14.002 6.669 608 2HD1 ILE 66 2HD1 ILE 66 8.840 -13.545 4.992 609 3HD1 ILE 66 3HD1 ILE 66 8.089 -14.995 5.659 610 H SER 67 HN SER 67 5.020 -10.479 3.552 611 HA SER 67 HA SER 67 3.536 -9.842 1.957 612 1HB SER 67 2HB SER 67 5.106 -10.698 0.263 613 2HB SER 67 1HB SER 67 4.408 -12.307 0.431 614 HG SER 67 HG SER 67 3.585 -11.075 -1.363 615 H ALA 68 HN ALA 68 3.439 -13.390 2.320 616 HA ALA 68 HA ALA 68 0.528 -13.322 2.474 617 1HB ALA 68 1HB ALA 68 2.433 -15.657 2.691 618 2HB ALA 68 2HB ALA 68 1.623 -15.127 1.217 619 3HB ALA 68 3HB ALA 68 0.677 -15.754 2.567 620 H LEU 69 HN LEU 69 -0.479 -12.994 4.315 621 HA LEU 69 HA LEU 69 -1.072 -13.023 6.499 622 1HB LEU 69 2HB LEU 69 1.255 -14.898 6.945 623 2HB LEU 69 1HB LEU 69 -0.091 -14.624 8.036 624 HG LEU 69 HG LEU 69 -0.351 -15.834 5.281 625 1HD1 LEU 69 1HD1 LEU 69 -0.309 -17.164 7.991 626 2HD1 LEU 69 2HD1 LEU 69 0.926 -17.305 6.739 627 3HD1 LEU 69 3HD1 LEU 69 -0.690 -17.956 6.463 628 1HD2 LEU 69 1HD2 LEU 69 -2.308 -15.631 7.568 629 2HD2 LEU 69 2HD2 LEU 69 -2.588 -16.442 6.027 630 3HD2 LEU 69 3HD2 LEU 69 -2.358 -14.694 6.074 631 H SER 70 HN SER 70 2.452 -12.951 6.149 632 HA SER 70 HA SER 70 4.039 -11.487 6.795 633 1HB SER 70 2HB SER 70 2.332 -9.763 6.046 634 2HB SER 70 1HB SER 70 1.860 -9.618 7.739 635 HG SER 70 HG SER 70 4.537 -9.298 6.861 636 H SER 71 HN SER 71 1.497 -10.954 9.256 637 HA SER 71 HA SER 71 3.414 -11.569 11.341 638 1HB SER 71 2HB SER 71 0.446 -11.001 11.594 639 2HB SER 71 1HB SER 71 1.636 -10.989 12.896 640 HG SER 71 HG SER 71 1.071 -8.876 12.016 641 H GLN 72 HN GLN 72 3.818 -13.728 10.583 642 HA GLN 72 HA GLN 72 1.617 -15.609 11.120 643 1HB GLN 72 2HB GLN 72 2.690 -17.111 9.455 644 2HB GLN 72 1HB GLN 72 2.119 -15.602 8.759 645 1HG GLN 72 2HG GLN 72 4.316 -14.734 8.604 646 2HG GLN 72 1HG GLN 72 4.971 -16.039 9.596 647 1HE2 GLN 72 1HE2 GLN 72 2.610 -16.482 7.047 648 2HE2 GLN 72 2HE2 GLN 72 3.652 -17.347 5.969 649 H LYS 73 HN LYS 73 1.942 -17.000 12.706 650 HA LYS 73 HA LYS 73 4.526 -17.400 13.883 651 1HB LYS 73 2HB LYS 73 3.455 -18.865 15.433 652 2HB LYS 73 1HB LYS 73 2.344 -17.534 15.160 653 1HG LYS 73 2HG LYS 73 2.133 -20.217 13.813 654 2HG LYS 73 1HG LYS 73 1.272 -19.769 15.283 655 1HD LYS 73 2HD LYS 73 0.144 -17.972 14.078 656 2HD LYS 73 1HD LYS 73 1.028 -18.395 12.610 657 1HE LYS 73 2HE LYS 73 -0.895 -20.187 14.094 658 2HE LYS 73 1HE LYS 73 -1.249 -19.318 12.602 659 1HZ LYS 73 1HZ LYS 73 -0.648 -21.689 12.280 660 2HZ LYS 73 2HZ LYS 73 0.906 -21.351 12.867 661 3HZ LYS 73 3HZ LYS 73 0.362 -20.617 11.441 662 H LYS 74 HN LYS 74 5.763 -19.350 13.805 663 HA LYS 74 HA LYS 74 5.619 -20.501 11.164 664 1HB LYS 74 2HB LYS 74 7.670 -20.810 13.343 665 2HB LYS 74 1HB LYS 74 7.799 -21.529 11.739 666 1HG LYS 74 2HG LYS 74 7.463 -18.601 12.229 667 2HG LYS 74 1HG LYS 74 9.036 -19.375 12.028 668 1HD LYS 74 2HD LYS 74 8.313 -20.131 9.786 669 2HD LYS 74 1HD LYS 74 6.783 -19.281 10.016 670 1HE LYS 74 2HE LYS 74 8.089 -17.177 10.334 671 2HE LYS 74 1HE LYS 74 9.542 -18.070 9.890 672 1HZ LYS 74 1HZ LYS 74 8.803 -17.002 7.951 673 2HZ LYS 74 2HZ LYS 74 7.188 -17.457 8.194 674 3HZ LYS 74 3HZ LYS 74 8.339 -18.622 7.759 Start of MODEL 3 1 H HIS -9 H HIS -9 9.108 19.323 -21.991 2 HA HIS -9 HA HIS -9 8.139 17.270 -22.654 3 1HB HIS -9 2HB HIS -9 9.546 15.459 -23.591 4 2HB HIS -9 1HB HIS -9 9.415 16.832 -24.678 5 HD1 HIS -9 1HD HIS -9 11.835 14.594 -23.186 6 HD2 HIS -9 2HD HIS -9 11.860 18.503 -24.612 7 HE1 HIS -9 1HE HIS -9 14.250 15.161 -23.569 8 HE2 HIS -9 2HE HIS -9 14.253 17.596 -24.205 9 H SER -8 HN SER -8 7.757 16.787 -20.602 10 HA SER -8 HA SER -8 9.974 15.725 -19.001 11 1HB SER -8 2HB SER -8 7.948 17.703 -17.931 12 2HB SER -8 1HB SER -8 9.324 17.020 -17.063 13 HG SER -8 HG SER -8 9.297 18.908 -19.163 14 H SER -7 HN SER -7 9.233 13.642 -19.136 15 HA SER -7 HA SER -7 6.859 13.094 -17.506 16 1HB SER -7 2HB SER -7 6.244 12.854 -19.927 17 2HB SER -7 1HB SER -7 7.485 11.614 -20.080 18 HG SER -7 HG SER -7 5.343 11.474 -18.217 19 H GLY -6 HN GLY -6 6.861 10.678 -16.869 20 1HA GLY -6 2HA GLY -6 7.958 8.984 -15.743 21 2HA GLY -6 1HA GLY -6 9.395 9.365 -16.691 22 H HIS -5 HN HIS -5 7.423 11.142 -14.364 23 HA HIS -5 HA HIS -5 9.870 12.291 -13.255 24 1HB HIS -5 2HB HIS -5 8.009 13.781 -14.085 25 2HB HIS -5 1HB HIS -5 7.004 13.125 -12.811 26 HD1 HIS -5 1HD HIS -5 10.541 13.893 -11.977 27 HD2 HIS -5 2HD HIS -5 6.798 15.641 -11.737 28 HE1 HIS -5 1HE HIS -5 10.783 15.779 -10.358 29 HE2 HIS -5 2HE HIS -5 8.555 16.953 -10.365 30 H ILE -4 HN ILE -4 10.669 11.377 -11.481 31 HA ILE -4 HA ILE -4 9.003 9.883 -9.664 32 HB ILE -4 HB ILE -4 11.927 10.623 -9.625 33 1HG1 ILE -4 2HG1 ILE -4 12.112 8.081 -9.538 34 2HG1 ILE -4 1HG1 ILE -4 10.382 8.040 -9.850 35 1HG2 ILE -4 1HG2 ILE -4 12.183 9.395 -7.538 36 2HG2 ILE -4 2HG2 ILE -4 10.436 9.156 -7.457 37 3HG2 ILE -4 3HG2 ILE -4 11.111 10.781 -7.327 38 1HD1 ILE -4 1HD1 ILE -4 10.736 9.190 -11.971 39 2HD1 ILE -4 2HD1 ILE -4 11.659 7.690 -11.882 40 3HD1 ILE -4 3HD1 ILE -4 12.471 9.239 -11.653 41 H GLU -3 HN GLU -3 7.798 10.778 -8.159 42 HA GLU -3 HA GLU -3 8.391 13.545 -7.352 43 1HB GLU -3 2HB GLU -3 5.727 12.110 -7.345 44 2HB GLU -3 1HB GLU -3 5.998 13.806 -6.966 45 1HG GLU -3 2HG GLU -3 6.671 14.254 -9.234 46 2HG GLU -3 1HG GLU -3 6.555 12.542 -9.641 47 H GLY -2 HN GLY -2 9.177 10.803 -6.260 48 1HA GLY -2 2HA GLY -2 9.570 9.890 -4.193 49 2HA GLY -2 1HA GLY -2 9.030 11.412 -3.495 50 H ARG -1 HN ARG -1 7.194 9.286 -5.614 51 HA ARG -1 HA ARG -1 5.069 9.240 -3.627 52 1HB ARG -1 2HB ARG -1 3.632 8.465 -5.360 53 2HB ARG -1 1HB ARG -1 4.626 9.730 -6.063 54 1HG ARG -1 2HG ARG -1 5.999 8.115 -7.185 55 2HG ARG -1 1HG ARG -1 5.188 6.788 -6.345 56 1HD ARG -1 2HD ARG -1 4.411 7.085 -8.677 57 2HD ARG -1 1HD ARG -1 3.126 7.253 -7.483 58 HE ARG -1 HE ARG -1 4.435 9.629 -8.626 59 1HH1 ARG -1 1HH1 ARG -1 1.585 7.678 -8.057 60 2HH1 ARG -1 2HH1 ARG -1 0.475 8.911 -8.592 61 1HH2 ARG -1 1HH2 ARG -1 2.978 11.268 -9.348 62 2HH2 ARG -1 2HH2 ARG -1 1.269 10.931 -9.341 63 H HIS 0 HN HIS 0 3.876 7.098 -3.408 64 HA HIS 0 HA HIS 0 5.765 4.871 -3.340 65 1HB HIS 0 2HB HIS 0 4.968 4.293 -1.019 66 2HB HIS 0 1HB HIS 0 6.019 5.697 -1.136 67 HD1 HIS 0 1HD HIS 0 5.273 7.356 0.530 68 HD2 HIS 0 2HD HIS 0 2.059 5.473 -1.305 69 HE1 HIS 0 1HE HIS 0 3.214 8.432 1.498 70 HE2 HIS 0 2HE HIS 0 1.278 7.194 0.459 71 H MET 1 HN MET 1 4.959 3.115 -4.083 72 HA MET 1 HA MET 1 2.049 2.773 -4.156 73 1HB MET 1 2HB MET 1 2.976 2.625 -6.350 74 2HB MET 1 1HB MET 1 4.294 1.607 -5.799 75 1HG MET 1 2HG MET 1 2.674 -0.192 -5.344 76 2HG MET 1 1HG MET 1 1.397 0.836 -5.993 77 1HE MET 1 1HE MET 1 0.951 -1.426 -7.535 78 2HE MET 1 2HE MET 1 2.429 -2.199 -6.960 79 3HE MET 1 3HE MET 1 2.138 -2.032 -8.691 80 H LEU 2 HN LEU 2 1.340 1.631 -2.458 81 HA LEU 2 HA LEU 2 3.135 -0.403 -1.350 82 1HB LEU 2 2HB LEU 2 2.144 1.410 0.167 83 2HB LEU 2 1HB LEU 2 0.599 0.611 -0.073 84 HG LEU 2 HG LEU 2 1.950 0.046 2.057 85 1HD1 LEU 2 1HD1 LEU 2 -0.049 -1.184 1.380 86 2HD1 LEU 2 2HD1 LEU 2 1.168 -2.256 2.071 87 3HD1 LEU 2 3HD1 LEU 2 0.933 -2.199 0.324 88 1HD2 LEU 2 1HD2 LEU 2 3.376 -1.730 0.083 89 2HD2 LEU 2 2HD2 LEU 2 3.565 -1.743 1.837 90 3HD2 LEU 2 3HD2 LEU 2 4.085 -0.340 0.905 91 H VAL 3 HN VAL 3 2.820 -2.355 -1.933 92 HA VAL 3 HA VAL 3 0.301 -3.138 -3.157 93 HB VAL 3 HB VAL 3 2.455 -3.527 -4.322 94 1HG1 VAL 3 1HG1 VAL 3 3.885 -5.390 -3.654 95 2HG1 VAL 3 2HG1 VAL 3 2.948 -5.569 -2.169 96 3HG1 VAL 3 3HG1 VAL 3 3.876 -4.095 -2.455 97 1HG2 VAL 3 1HG2 VAL 3 1.921 -5.793 -5.069 98 2HG2 VAL 3 2HG2 VAL 3 0.484 -4.782 -4.919 99 3HG2 VAL 3 3HG2 VAL 3 0.847 -5.986 -3.684 100 H LEU 4 HN LEU 4 -1.145 -4.288 -2.166 101 HA LEU 4 HA LEU 4 -0.560 -5.416 0.491 102 1HB LEU 4 2HB LEU 4 -2.668 -3.752 -0.566 103 2HB LEU 4 1HB LEU 4 -3.351 -5.256 0.007 104 HG LEU 4 HG LEU 4 -2.037 -3.051 1.558 105 1HD1 LEU 4 1HD1 LEU 4 -3.972 -3.467 3.026 106 2HD1 LEU 4 2HD1 LEU 4 -4.524 -4.709 1.904 107 3HD1 LEU 4 3HD1 LEU 4 -4.420 -3.029 1.380 108 1HD2 LEU 4 1HD2 LEU 4 -2.186 -5.947 2.410 109 2HD2 LEU 4 2HD2 LEU 4 -1.970 -4.601 3.528 110 3HD2 LEU 4 3HD2 LEU 4 -0.747 -4.931 2.303 111 H SER 5 HN SER 5 -1.302 -7.536 0.934 112 HA SER 5 HA SER 5 -1.542 -9.150 -1.464 113 1HB SER 5 2HB SER 5 -1.397 -11.044 0.284 114 2HB SER 5 1HB SER 5 0.028 -10.030 0.055 115 HG SER 5 HG SER 5 -0.193 -9.975 2.190 116 H ARG 6 HN ARG 6 -3.488 -9.360 -2.301 117 HA ARG 6 HA ARG 6 -5.750 -10.041 -0.592 118 1HB ARG 6 2HB ARG 6 -5.686 -7.546 -0.753 119 2HB ARG 6 1HB ARG 6 -5.789 -7.688 -2.499 120 1HG ARG 6 2HG ARG 6 -7.960 -7.242 -1.938 121 2HG ARG 6 1HG ARG 6 -7.974 -9.004 -1.994 122 1HD ARG 6 2HD ARG 6 -8.055 -9.200 0.317 123 2HD ARG 6 1HD ARG 6 -7.411 -7.577 0.576 124 HE ARG 6 HE ARG 6 -10.049 -7.834 -0.677 125 1HH1 ARG 6 1HH1 ARG 6 -8.172 -7.080 2.197 126 2HH1 ARG 6 2HH1 ARG 6 -9.429 -6.119 2.905 127 1HH2 ARG 6 1HH2 ARG 6 -11.686 -6.570 0.261 128 2HH2 ARG 6 2HH2 ARG 6 -11.420 -5.819 1.814 129 H LYS 7 HN LYS 7 -6.772 -11.677 -1.586 130 HA LYS 7 HA LYS 7 -5.796 -12.250 -4.296 131 1HB LYS 7 2HB LYS 7 -6.873 -14.144 -2.197 132 2HB LYS 7 1HB LYS 7 -6.221 -14.610 -3.764 133 1HG LYS 7 2HG LYS 7 -4.409 -14.992 -2.415 134 2HG LYS 7 1HG LYS 7 -4.090 -13.336 -2.925 135 1HD LYS 7 2HD LYS 7 -5.482 -12.780 -0.740 136 2HD LYS 7 1HD LYS 7 -4.940 -14.387 -0.273 137 1HE LYS 7 2HE LYS 7 -2.619 -13.700 -0.722 138 2HE LYS 7 1HE LYS 7 -3.185 -12.065 -1.096 139 1HZ LYS 7 1HZ LYS 7 -4.115 -12.000 1.211 140 2HZ LYS 7 2HZ LYS 7 -2.432 -12.126 1.162 141 3HZ LYS 7 3HZ LYS 7 -3.364 -13.490 1.521 142 H ILE 8 HN ILE 8 -7.771 -10.488 -4.180 143 HA ILE 8 HA ILE 8 -10.165 -11.967 -5.040 144 HB ILE 8 HB ILE 8 -10.208 -9.215 -3.794 145 1HG1 ILE 8 2HG1 ILE 8 -9.285 -10.868 -2.170 146 2HG1 ILE 8 1HG1 ILE 8 -10.837 -10.202 -1.672 147 1HG2 ILE 8 1HG2 ILE 8 -12.587 -9.733 -3.425 148 2HG2 ILE 8 2HG2 ILE 8 -12.361 -11.279 -4.243 149 3HG2 ILE 8 3HG2 ILE 8 -12.143 -9.772 -5.133 150 1HD1 ILE 8 1HD1 ILE 8 -10.716 -12.582 -1.230 151 2HD1 ILE 8 2HD1 ILE 8 -10.398 -12.895 -2.935 152 3HD1 ILE 8 3HD1 ILE 8 -11.952 -12.230 -2.436 153 H ASN 9 HN ASN 9 -7.716 -9.813 -5.819 154 HA ASN 9 HA ASN 9 -7.397 -8.069 -7.225 155 1HB ASN 9 2HB ASN 9 -7.703 -8.574 -9.539 156 2HB ASN 9 1HB ASN 9 -7.194 -10.029 -8.708 157 1HD2 ASN 9 1HD2 ASN 9 -7.939 -11.497 -10.111 158 2HD2 ASN 9 2HD2 ASN 9 -9.612 -11.720 -10.506 159 H GLU 10 HN GLU 10 -9.627 -7.733 -5.599 160 HA GLU 10 HA GLU 10 -11.791 -6.583 -7.055 161 1HB GLU 10 2HB GLU 10 -12.400 -5.675 -4.772 162 2HB GLU 10 1HB GLU 10 -12.248 -7.424 -4.864 163 1HG GLU 10 2HG GLU 10 -10.032 -7.310 -3.873 164 2HG GLU 10 1HG GLU 10 -10.131 -5.553 -3.822 165 H ALA 11 HN ALA 11 -12.361 -4.190 -6.309 166 HA ALA 11 HA ALA 11 -9.965 -2.577 -6.913 167 1HB ALA 11 1HB ALA 11 -12.888 -1.918 -7.375 168 2HB ALA 11 2HB ALA 11 -11.731 -2.404 -8.614 169 3HB ALA 11 3HB ALA 11 -11.525 -0.872 -7.767 170 H ILE 12 HN ILE 12 -9.565 -0.728 -5.717 171 HA ILE 12 HA ILE 12 -10.691 -1.040 -3.032 172 HB ILE 12 HB ILE 12 -7.967 0.037 -3.779 173 1HG1 ILE 12 2HG1 ILE 12 -7.306 -2.257 -2.682 174 2HG1 ILE 12 1HG1 ILE 12 -8.937 -2.734 -3.141 175 1HG2 ILE 12 1HG2 ILE 12 -9.115 -0.848 -1.137 176 2HG2 ILE 12 2HG2 ILE 12 -8.822 0.820 -1.628 177 3HG2 ILE 12 3HG2 ILE 12 -7.465 -0.287 -1.410 178 1HD1 ILE 12 1HD1 ILE 12 -8.438 -2.350 -5.456 179 2HD1 ILE 12 2HD1 ILE 12 -7.233 -3.427 -4.752 180 3HD1 ILE 12 3HD1 ILE 12 -6.840 -1.732 -5.042 181 H GLN 13 HN GLN 13 -12.098 0.439 -2.618 182 HA GLN 13 HA GLN 13 -11.474 3.259 -3.227 183 1HB GLN 13 2HB GLN 13 -13.214 2.570 -4.759 184 2HB GLN 13 1HB GLN 13 -14.116 1.794 -3.468 185 1HG GLN 13 2HG GLN 13 -15.212 3.824 -4.026 186 2HG GLN 13 1HG GLN 13 -14.459 4.035 -2.447 187 1HE2 GLN 13 1HE2 GLN 13 -12.734 5.436 -2.229 188 2HE2 GLN 13 2HE2 GLN 13 -12.328 6.600 -3.450 189 H ILE 14 HN ILE 14 -10.799 3.820 -1.229 190 HA ILE 14 HA ILE 14 -12.687 3.304 0.955 191 HB ILE 14 HB ILE 14 -10.788 3.491 2.545 192 1HG1 ILE 14 2HG1 ILE 14 -9.266 4.601 0.761 193 2HG1 ILE 14 1HG1 ILE 14 -8.549 3.468 1.898 194 1HG2 ILE 14 1HG2 ILE 14 -10.669 1.247 0.542 195 2HG2 ILE 14 2HG2 ILE 14 -11.726 1.348 1.948 196 3HG2 ILE 14 3HG2 ILE 14 -9.981 1.207 2.164 197 1HD1 ILE 14 1HD1 ILE 14 -9.344 2.841 -0.936 198 2HD1 ILE 14 2HD1 ILE 14 -8.592 1.727 0.204 199 3HD1 ILE 14 3HD1 ILE 14 -7.707 3.144 -0.356 200 H GLY 15 HN GLY 15 -13.727 4.980 1.561 201 1HA GLY 15 2HA GLY 15 -14.092 7.018 2.545 202 2HA GLY 15 1HA GLY 15 -12.376 7.355 2.412 203 H ALA 16 HN ALA 16 -11.644 7.636 0.100 204 HA ALA 16 HA ALA 16 -12.985 8.624 -1.997 205 1HB ALA 16 1HB ALA 16 -13.225 11.042 -1.682 206 2HB ALA 16 2HB ALA 16 -12.705 10.885 -0.004 207 3HB ALA 16 3HB ALA 16 -14.225 10.160 -0.530 208 H ASP 17 HN ASP 17 -10.364 8.783 0.177 209 HA ASP 17 HA ASP 17 -8.729 10.554 -1.377 210 1HB ASP 17 2HB ASP 17 -8.547 10.443 1.096 211 2HB ASP 17 1HB ASP 17 -7.948 8.791 0.961 212 H ILE 18 HN ILE 18 -9.019 7.056 -0.894 213 HA ILE 18 HA ILE 18 -7.045 6.763 -3.062 214 HB ILE 18 HB ILE 18 -7.366 4.972 -0.654 215 1HG1 ILE 18 2HG1 ILE 18 -6.046 7.025 -0.288 216 2HG1 ILE 18 1HG1 ILE 18 -5.042 5.583 -0.194 217 1HG2 ILE 18 1HG2 ILE 18 -5.608 4.587 -3.077 218 2HG2 ILE 18 2HG2 ILE 18 -7.024 3.625 -2.660 219 3HG2 ILE 18 3HG2 ILE 18 -5.597 3.588 -1.625 220 1HD1 ILE 18 1HD1 ILE 18 -4.212 6.004 -2.441 221 2HD1 ILE 18 2HD1 ILE 18 -3.926 7.388 -1.386 222 3HD1 ILE 18 3HD1 ILE 18 -5.240 7.433 -2.562 223 H GLU 19 HN GLU 19 -7.979 6.133 -4.804 224 HA GLU 19 HA GLU 19 -9.680 3.745 -4.725 225 1HB GLU 19 2HB GLU 19 -10.951 4.690 -6.678 226 2HB GLU 19 1HB GLU 19 -11.229 5.520 -5.155 227 1HG GLU 19 2HG GLU 19 -9.866 7.353 -5.806 228 2HG GLU 19 1HG GLU 19 -9.274 6.486 -7.222 229 H VAL 20 HN VAL 20 -8.629 2.153 -5.781 230 HA VAL 20 HA VAL 20 -7.642 2.229 -8.356 231 HB VAL 20 HB VAL 20 -6.005 3.894 -7.510 232 1HG1 VAL 20 1HG1 VAL 20 -4.217 3.208 -6.005 233 2HG1 VAL 20 2HG1 VAL 20 -4.985 1.634 -5.795 234 3HG1 VAL 20 3HG1 VAL 20 -5.791 3.094 -5.221 235 1HG2 VAL 20 1HG2 VAL 20 -3.999 2.857 -8.433 236 2HG2 VAL 20 2HG2 VAL 20 -5.418 2.480 -9.410 237 3HG2 VAL 20 3HG2 VAL 20 -4.756 1.268 -8.313 238 H LYS 21 HN LYS 21 -7.050 0.209 -9.003 239 HA LYS 21 HA LYS 21 -6.013 -1.704 -6.995 240 1HB LYS 21 2HB LYS 21 -7.185 -3.510 -8.314 241 2HB LYS 21 1HB LYS 21 -8.215 -2.486 -7.327 242 1HG LYS 21 2HG LYS 21 -8.954 -1.259 -9.235 243 2HG LYS 21 1HG LYS 21 -7.775 -2.076 -10.270 244 1HD LYS 21 2HD LYS 21 -8.920 -4.208 -9.879 245 2HD LYS 21 1HD LYS 21 -10.108 -3.375 -8.873 246 1HE LYS 21 2HE LYS 21 -10.939 -3.758 -11.155 247 2HE LYS 21 1HE LYS 21 -10.822 -2.042 -10.768 248 1HZ LYS 21 1HZ LYS 21 -8.825 -1.869 -12.035 249 2HZ LYS 21 2HZ LYS 21 -9.978 -2.629 -13.006 250 3HZ LYS 21 3HZ LYS 21 -8.749 -3.544 -12.281 251 H VAL 22 HN VAL 22 -3.931 -1.453 -7.645 252 HA VAL 22 HA VAL 22 -3.403 -2.282 -10.419 253 HB VAL 22 HB VAL 22 -1.037 -1.530 -10.059 254 1HG1 VAL 22 1HG1 VAL 22 -2.655 -0.173 -11.281 255 2HG1 VAL 22 2HG1 VAL 22 -1.533 0.841 -10.377 256 3HG1 VAL 22 3HG1 VAL 22 -3.170 0.584 -9.776 257 1HG2 VAL 22 1HG2 VAL 22 -1.005 -1.538 -7.616 258 2HG2 VAL 22 2HG2 VAL 22 -2.179 -0.219 -7.595 259 3HG2 VAL 22 3HG2 VAL 22 -0.564 0.043 -8.260 260 H ILE 23 HN ILE 23 -3.168 -4.334 -10.611 261 HA ILE 23 HA ILE 23 -2.555 -5.941 -8.287 262 HB ILE 23 HB ILE 23 -3.424 -6.688 -11.075 263 1HG1 ILE 23 2HG1 ILE 23 -5.000 -6.918 -8.521 264 2HG1 ILE 23 1HG1 ILE 23 -4.995 -5.420 -9.455 265 1HG2 ILE 23 1HG2 ILE 23 -3.173 -8.446 -8.639 266 2HG2 ILE 23 2HG2 ILE 23 -2.115 -8.491 -10.049 267 3HG2 ILE 23 3HG2 ILE 23 -3.816 -8.932 -10.209 268 1HD1 ILE 23 1HD1 ILE 23 -5.889 -8.127 -10.436 269 2HD1 ILE 23 2HD1 ILE 23 -5.889 -6.635 -11.376 270 3HD1 ILE 23 3HD1 ILE 23 -6.933 -6.788 -9.963 271 H ALA 24 HN ALA 24 -0.785 -7.071 -7.938 272 HA ALA 24 HA ALA 24 1.256 -7.186 -10.055 273 1HB ALA 24 1HB ALA 24 2.982 -6.899 -8.337 274 2HB ALA 24 2HB ALA 24 1.727 -6.691 -7.116 275 3HB ALA 24 3HB ALA 24 1.903 -5.505 -8.407 276 H VAL 25 HN VAL 25 2.780 -8.983 -9.770 277 HA VAL 25 HA VAL 25 1.296 -11.327 -8.944 278 HB VAL 25 HB VAL 25 3.214 -12.546 -10.090 279 1HG1 VAL 25 1HG1 VAL 25 1.509 -10.666 -11.710 280 2HG1 VAL 25 2HG1 VAL 25 1.016 -12.244 -11.098 281 3HG1 VAL 25 3HG1 VAL 25 2.289 -12.128 -12.313 282 1HG2 VAL 25 1HG2 VAL 25 3.809 -9.752 -11.055 283 2HG2 VAL 25 2HG2 VAL 25 4.498 -11.232 -11.726 284 3HG2 VAL 25 3HG2 VAL 25 4.862 -10.764 -10.065 285 H GLU 26 HN GLU 26 1.560 -12.145 -7.047 286 HA GLU 26 HA GLU 26 3.975 -11.691 -5.479 287 1HB GLU 26 2HB GLU 26 1.593 -11.479 -4.592 288 2HB GLU 26 1HB GLU 26 1.468 -13.223 -4.765 289 1HG GLU 26 2HG GLU 26 1.907 -12.778 -2.502 290 2HG GLU 26 1HG GLU 26 3.390 -13.442 -3.186 291 H GLY 27 HN GLY 27 4.074 -13.288 -7.868 292 1HA GLY 27 2HA GLY 27 5.092 -15.238 -8.563 293 2HA GLY 27 1HA GLY 27 5.235 -15.715 -6.877 294 H ASP 28 HN ASP 28 3.201 -16.431 -5.821 295 HA ASP 28 HA ASP 28 1.453 -17.855 -7.719 296 1HB ASP 28 2HB ASP 28 2.487 -18.904 -5.072 297 2HB ASP 28 1HB ASP 28 1.382 -19.748 -6.152 298 H GLN 29 HN GLN 29 1.071 -15.338 -6.538 299 HA GLN 29 HA GLN 29 -1.386 -15.754 -5.075 300 1HB GLN 29 2HB GLN 29 0.268 -15.787 -3.286 301 2HB GLN 29 1HB GLN 29 0.997 -14.317 -3.911 302 1HG GLN 29 2HG GLN 29 -0.708 -12.973 -3.134 303 2HG GLN 29 1HG GLN 29 -1.848 -14.318 -3.000 304 1HE2 GLN 29 1HE2 GLN 29 0.868 -12.696 -1.542 305 2HE2 GLN 29 2HE2 GLN 29 0.751 -13.471 0.004 306 H VAL 30 HN VAL 30 -2.698 -13.862 -5.067 307 HA VAL 30 HA VAL 30 -1.779 -11.866 -7.006 308 HB VAL 30 HB VAL 30 -4.649 -12.532 -6.292 309 1HG1 VAL 30 1HG1 VAL 30 -4.330 -10.235 -7.070 310 2HG1 VAL 30 2HG1 VAL 30 -5.269 -11.194 -8.210 311 3HG1 VAL 30 3HG1 VAL 30 -3.576 -10.842 -8.544 312 1HG2 VAL 30 1HG2 VAL 30 -4.802 -13.622 -8.477 313 2HG2 VAL 30 2HG2 VAL 30 -3.614 -14.417 -7.445 314 3HG2 VAL 30 3HG2 VAL 30 -3.081 -13.345 -8.741 315 H LYS 31 HN LYS 31 -1.521 -9.865 -6.341 316 HA LYS 31 HA LYS 31 -2.956 -9.009 -3.951 317 1HB LYS 31 2HB LYS 31 -0.975 -8.237 -2.870 318 2HB LYS 31 1HB LYS 31 -0.683 -9.893 -3.386 319 1HG LYS 31 2HG LYS 31 0.459 -8.919 -5.412 320 2HG LYS 31 1HG LYS 31 0.336 -7.350 -4.633 321 1HD LYS 31 2HD LYS 31 1.744 -9.770 -3.520 322 2HD LYS 31 1HD LYS 31 2.519 -8.362 -4.246 323 1HE LYS 31 2HE LYS 31 1.467 -6.958 -2.476 324 2HE LYS 31 1HE LYS 31 0.874 -8.439 -1.722 325 1HZ LYS 31 1HZ LYS 31 3.740 -7.862 -2.242 326 2HZ LYS 31 2HZ LYS 31 3.106 -9.190 -1.396 327 3HZ LYS 31 3HZ LYS 31 2.968 -7.625 -0.749 328 H LEU 32 HN LEU 32 -3.286 -6.769 -3.783 329 HA LEU 32 HA LEU 32 -3.121 -5.348 -6.356 330 1HB LEU 32 2HB LEU 32 -4.909 -3.926 -5.477 331 2HB LEU 32 1HB LEU 32 -5.373 -5.607 -5.440 332 HG LEU 32 HG LEU 32 -4.383 -5.386 -2.953 333 1HD1 LEU 32 1HD1 LEU 32 -3.819 -3.042 -3.143 334 2HD1 LEU 32 2HD1 LEU 32 -5.097 -3.278 -1.954 335 3HD1 LEU 32 3HD1 LEU 32 -5.488 -2.655 -3.555 336 1HD2 LEU 32 1HD2 LEU 32 -6.694 -5.114 -2.185 337 2HD2 LEU 32 2HD2 LEU 32 -6.572 -6.260 -3.519 338 3HD2 LEU 32 3HD2 LEU 32 -7.169 -4.628 -3.812 339 H GLY 33 HN GLY 33 -2.750 -2.938 -6.151 340 1HA GLY 33 2HA GLY 33 -1.200 -2.274 -3.739 341 2HA GLY 33 1HA GLY 33 -0.542 -1.951 -5.335 342 H ILE 34 HN ILE 34 -1.306 -0.163 -3.063 343 HA ILE 34 HA ILE 34 -2.930 1.641 -4.730 344 HB ILE 34 HB ILE 34 -3.619 2.879 -2.812 345 1HG1 ILE 34 2HG1 ILE 34 -2.279 1.078 -0.847 346 2HG1 ILE 34 1HG1 ILE 34 -1.308 2.336 -1.615 347 1HG2 ILE 34 1HG2 ILE 34 -4.841 1.179 -1.523 348 2HG2 ILE 34 2HG2 ILE 34 -3.867 -0.072 -2.298 349 3HG2 ILE 34 3HG2 ILE 34 -4.942 0.937 -3.266 350 1HD1 ILE 34 1HD1 ILE 34 -2.858 4.025 -0.809 351 2HD1 ILE 34 2HD1 ILE 34 -2.219 3.059 0.522 352 3HD1 ILE 34 3HD1 ILE 34 -3.853 2.770 -0.073 353 H ASP 35 HN ASP 35 -1.984 3.410 -5.502 354 HA ASP 35 HA ASP 35 0.626 4.148 -4.375 355 1HB ASP 35 2HB ASP 35 1.093 3.180 -6.502 356 2HB ASP 35 1HB ASP 35 -0.227 4.052 -7.271 357 H ALA 36 HN ALA 36 0.979 6.232 -3.964 358 HA ALA 36 HA ALA 36 -1.074 8.189 -4.712 359 1HB ALA 36 1HB ALA 36 -1.100 9.069 -2.419 360 2HB ALA 36 2HB ALA 36 -0.012 7.776 -1.909 361 3HB ALA 36 3HB ALA 36 -1.640 7.391 -2.468 362 HA PRO 37 HA PRO 37 2.416 10.652 -5.659 363 1HB PRO 37 2HB PRO 37 1.062 13.134 -5.116 364 2HB PRO 37 1HB PRO 37 1.312 12.348 -6.674 365 1HG PRO 37 2HG PRO 37 -1.137 12.646 -5.471 366 2HG PRO 37 1HG PRO 37 -0.757 11.385 -6.656 367 1HD PRO 37 2HD PRO 37 -0.884 11.217 -3.669 368 2HD PRO 37 1HD PRO 37 -1.427 10.043 -4.894 369 H LYS 38 HN LYS 38 2.054 9.919 -2.802 370 HA LYS 38 HA LYS 38 2.969 10.278 -0.782 371 1HB LYS 38 2HB LYS 38 5.017 10.755 -2.112 372 2HB LYS 38 1HB LYS 38 4.585 12.458 -2.097 373 1HG LYS 38 2HG LYS 38 6.274 11.879 -0.411 374 2HG LYS 38 1HG LYS 38 4.796 12.539 0.297 375 1HD LYS 38 2HD LYS 38 4.464 10.691 1.498 376 2HD LYS 38 1HD LYS 38 4.617 9.658 0.075 377 1HE LYS 38 2HE LYS 38 6.299 9.118 1.778 378 2HE LYS 38 1HE LYS 38 7.037 9.686 0.282 379 1HZ LYS 38 1HZ LYS 38 6.605 11.333 2.716 380 2HZ LYS 38 2HZ LYS 38 7.353 11.852 1.287 381 3HZ LYS 38 3HZ LYS 38 8.084 10.653 2.235 382 H HIS 39 HN HIS 39 1.578 10.981 0.603 383 HA HIS 39 HA HIS 39 1.211 13.700 1.253 384 1HB HIS 39 2HB HIS 39 -1.055 14.079 0.580 385 2HB HIS 39 1HB HIS 39 -0.235 13.467 -0.856 386 HD1 HIS 39 1HD HIS 39 -0.341 10.481 -0.249 387 HD2 HIS 39 2HD HIS 39 -3.577 13.023 0.260 388 HE1 HIS 39 1HE HIS 39 -2.325 9.001 -0.135 389 HE2 HIS 39 2HE HIS 39 -4.284 10.525 0.309 390 H ILE 40 HN ILE 40 -1.066 13.605 2.676 391 HA ILE 40 HA ILE 40 -0.549 11.543 4.651 392 HB ILE 40 HB ILE 40 -2.136 12.792 6.064 393 1HG1 ILE 40 2HG1 ILE 40 -3.273 13.678 3.821 394 2HG1 ILE 40 1HG1 ILE 40 -3.415 14.559 5.346 395 1HG2 ILE 40 1HG2 ILE 40 0.229 13.351 6.162 396 2HG2 ILE 40 2HG2 ILE 40 -0.760 14.789 6.411 397 3HG2 ILE 40 3HG2 ILE 40 0.023 14.517 4.856 398 1HD1 ILE 40 1HD1 ILE 40 -2.938 16.061 3.499 399 2HD1 ILE 40 2HD1 ILE 40 -1.473 15.159 3.119 400 3HD1 ILE 40 3HD1 ILE 40 -1.594 16.040 4.639 401 H ASP 41 HN ASP 41 -2.030 9.960 5.161 402 HA ASP 41 HA ASP 41 -4.207 9.688 3.249 403 1HB ASP 41 2HB ASP 41 -4.387 7.351 4.307 404 2HB ASP 41 1HB ASP 41 -2.994 7.722 3.285 405 H ILE 42 HN ILE 42 -6.131 10.255 3.713 406 HA ILE 42 HA ILE 42 -6.785 11.199 6.351 407 HB ILE 42 HB ILE 42 -8.587 11.030 3.936 408 1HG1 ILE 42 2HG1 ILE 42 -6.511 12.189 3.351 409 2HG1 ILE 42 1HG1 ILE 42 -7.871 13.307 3.393 410 1HG2 ILE 42 1HG2 ILE 42 -9.748 11.489 6.025 411 2HG2 ILE 42 2HG2 ILE 42 -9.762 12.905 4.976 412 3HG2 ILE 42 3HG2 ILE 42 -8.660 12.837 6.349 413 1HD1 ILE 42 1HD1 ILE 42 -5.887 14.293 4.385 414 2HD1 ILE 42 2HD1 ILE 42 -5.796 12.970 5.548 415 3HD1 ILE 42 3HD1 ILE 42 -7.157 14.092 5.593 416 H HIS 43 HN HIS 43 -8.292 10.332 7.763 417 HA HIS 43 HA HIS 43 -9.693 7.897 6.899 418 1HB HIS 43 2HB HIS 43 -8.520 8.079 9.669 419 2HB HIS 43 1HB HIS 43 -9.128 6.658 8.817 420 HD1 HIS 43 1HD HIS 43 -6.084 7.862 9.974 421 HD2 HIS 43 2HD HIS 43 -7.318 6.429 6.265 422 HE1 HIS 43 1HE HIS 43 -3.987 7.195 8.752 423 HE2 HIS 43 2HE HIS 43 -4.733 6.543 6.468 424 H ARG 44 HN ARG 44 -11.479 7.347 8.503 425 HA ARG 44 HA ARG 44 -12.570 9.835 9.641 426 1HB ARG 44 2HB ARG 44 -13.804 9.205 7.619 427 2HB ARG 44 1HB ARG 44 -14.109 7.609 8.288 428 1HG ARG 44 2HG ARG 44 -15.604 8.439 9.885 429 2HG ARG 44 1HG ARG 44 -15.035 10.098 9.687 430 1HD ARG 44 2HD ARG 44 -16.552 8.484 7.636 431 2HD ARG 44 1HD ARG 44 -17.215 9.782 8.631 432 HE ARG 44 HE ARG 44 -15.317 11.135 7.461 433 1HH1 ARG 44 1HH1 ARG 44 -17.449 8.745 6.027 434 2HH1 ARG 44 2HH1 ARG 44 -17.254 9.361 4.409 435 1HH2 ARG 44 1HH2 ARG 44 -15.076 11.956 5.347 436 2HH2 ARG 44 2HH2 ARG 44 -15.914 11.192 4.022 437 H LYS 45 HN LYS 45 -12.202 9.615 11.735 438 HA LYS 45 HA LYS 45 -12.259 8.849 13.863 439 1HB LYS 45 2HB LYS 45 -14.626 8.333 13.456 440 2HB LYS 45 1HB LYS 45 -14.180 6.774 12.785 441 1HG LYS 45 2HG LYS 45 -14.982 6.406 14.984 442 2HG LYS 45 1HG LYS 45 -13.236 6.171 15.020 443 1HD LYS 45 2HD LYS 45 -14.474 8.810 15.739 444 2HD LYS 45 1HD LYS 45 -14.333 7.514 16.926 445 1HE LYS 45 2HE LYS 45 -12.038 8.703 15.368 446 2HE LYS 45 1HE LYS 45 -12.466 9.132 17.022 447 1HZ LYS 45 1HZ LYS 45 -11.983 6.921 17.740 448 2HZ LYS 45 2HZ LYS 45 -10.649 7.497 16.861 449 3HZ LYS 45 3HZ LYS 45 -11.719 6.389 16.149 450 H GLU 46 HN GLU 46 -12.610 5.741 12.173 451 HA GLU 46 HA GLU 46 -10.034 4.894 13.287 452 1HB GLU 46 2HB GLU 46 -12.118 3.238 11.844 453 2HB GLU 46 1HB GLU 46 -10.712 2.631 12.709 454 1HG GLU 46 2HG GLU 46 -13.100 4.016 13.909 455 2HG GLU 46 1HG GLU 46 -12.702 2.305 14.026 456 H ILE 47 HN ILE 47 -8.875 3.289 11.546 457 HA ILE 47 HA ILE 47 -8.469 5.105 9.300 458 HB ILE 47 HB ILE 47 -6.436 3.932 8.796 459 1HG1 ILE 47 2HG1 ILE 47 -7.109 2.102 11.117 460 2HG1 ILE 47 1HG1 ILE 47 -7.150 1.653 9.411 461 1HG2 ILE 47 1HG2 ILE 47 -5.197 4.382 10.905 462 2HG2 ILE 47 2HG2 ILE 47 -6.746 4.578 11.728 463 3HG2 ILE 47 3HG2 ILE 47 -6.287 5.685 10.433 464 1HD1 ILE 47 1HD1 ILE 47 -4.793 1.868 9.215 465 2HD1 ILE 47 2HD1 ILE 47 -5.124 0.900 10.653 466 3HD1 ILE 47 3HD1 ILE 47 -4.665 2.596 10.817 467 H TYR 48 HN TYR 48 -9.340 4.787 7.430 468 HA TYR 48 HA TYR 48 -10.592 2.241 6.868 469 1HB TYR 48 2HB TYR 48 -11.872 3.395 5.185 470 2HB TYR 48 1HB TYR 48 -11.890 4.308 6.684 471 HD1 TYR 48 1HD TYR 48 -9.250 4.293 4.094 472 HD2 TYR 48 2HD TYR 48 -12.403 6.478 5.917 473 HE1 TYR 48 1HE TYR 48 -8.507 6.319 2.920 474 HE2 TYR 48 2HE TYR 48 -11.666 8.517 4.759 475 HH TYR 48 HH TYR 48 -9.530 8.495 2.179 476 H LEU 49 HN LEU 49 -7.640 3.487 6.316 477 HA LEU 49 HA LEU 49 -7.389 2.444 3.571 478 1HB LEU 49 2HB LEU 49 -6.426 4.855 4.853 479 2HB LEU 49 1HB LEU 49 -5.089 3.906 4.224 480 HG LEU 49 HG LEU 49 -7.468 4.649 2.535 481 1HD1 LEU 49 1HD1 LEU 49 -6.426 6.700 3.354 482 2HD1 LEU 49 2HD1 LEU 49 -6.097 6.462 1.636 483 3HD1 LEU 49 3HD1 LEU 49 -4.847 6.113 2.832 484 1HD2 LEU 49 1HD2 LEU 49 -4.655 3.793 1.858 485 2HD2 LEU 49 2HD2 LEU 49 -5.944 4.153 0.709 486 3HD2 LEU 49 3HD2 LEU 49 -6.086 2.765 1.786 487 H THR 50 HN THR 50 -5.035 3.099 6.117 488 HA THR 50 HA THR 50 -3.672 1.737 7.310 489 HB THR 50 HB THR 50 -5.226 -0.522 6.073 490 HG1 THR 50 1HG THR 50 -6.610 -0.324 7.726 491 1HG2 THR 50 1HG2 THR 50 -3.045 -1.209 7.044 492 2HG2 THR 50 2HG2 THR 50 -4.423 -1.882 7.917 493 3HG2 THR 50 3HG2 THR 50 -3.547 -0.504 8.583 494 H ILE 51 HN ILE 51 -4.161 1.124 3.930 495 HA ILE 51 HA ILE 51 -1.938 -0.528 3.445 496 HB ILE 51 HB ILE 51 -2.965 1.344 1.325 497 1HG1 ILE 51 2HG1 ILE 51 -4.379 -1.142 2.310 498 2HG1 ILE 51 1HG1 ILE 51 -4.880 0.505 2.668 499 1HG2 ILE 51 1HG2 ILE 51 -2.137 -1.555 1.336 500 2HG2 ILE 51 2HG2 ILE 51 -1.180 -0.196 0.746 501 3HG2 ILE 51 3HG2 ILE 51 -2.673 -0.646 -0.075 502 1HD1 ILE 51 1HD1 ILE 51 -4.747 -0.743 -0.061 503 2HD1 ILE 51 2HD1 ILE 51 -5.257 0.907 0.296 504 3HD1 ILE 51 3HD1 ILE 51 -6.208 -0.457 0.885 505 H GLN 52 HN GLN 52 -2.239 2.975 2.580 506 HA GLN 52 HA GLN 52 0.658 3.069 2.588 507 1HB GLN 52 2HB GLN 52 0.592 5.186 1.651 508 2HB GLN 52 1HB GLN 52 -0.833 4.421 0.951 509 1HG GLN 52 2HG GLN 52 -2.267 5.782 2.075 510 2HG GLN 52 1HG GLN 52 -1.191 5.959 3.460 511 1HE2 GLN 52 1HE2 GLN 52 -1.137 8.134 3.617 512 2HE2 GLN 52 2HE2 GLN 52 -0.525 9.186 2.380 513 H GLU 53 HN GLU 53 -1.677 3.214 4.904 514 HA GLU 53 HA GLU 53 -0.533 5.251 6.582 515 1HB GLU 53 2HB GLU 53 -2.949 4.290 6.627 516 2HB GLU 53 1HB GLU 53 -2.251 2.945 7.518 517 1HG GLU 53 2HG GLU 53 -2.155 5.831 8.378 518 2HG GLU 53 1HG GLU 53 -3.324 4.645 8.945 519 H GLU 54 HN GLU 54 -0.533 1.737 6.409 520 HA GLU 54 HA GLU 54 1.483 1.270 8.314 521 1HB GLU 54 2HB GLU 54 0.309 -0.298 6.015 522 2HB GLU 54 1HB GLU 54 1.662 -0.943 6.966 523 1HG GLU 54 2HG GLU 54 0.274 -0.666 9.011 524 2HG GLU 54 1HG GLU 54 -1.062 -0.150 7.984 525 H ASN 55 HN ASN 55 1.545 1.882 4.837 526 HA ASN 55 HA ASN 55 4.438 1.616 4.753 527 1HB ASN 55 2HB ASN 55 3.099 0.823 2.846 528 2HB ASN 55 1HB ASN 55 2.497 2.458 2.588 529 1HD2 ASN 55 1HD2 ASN 55 5.173 0.293 2.220 530 2HD2 ASN 55 2HD2 ASN 55 6.124 1.318 1.195 531 H ASN 56 HN ASN 56 2.876 4.133 2.945 532 HA ASN 56 HA ASN 56 2.979 6.397 2.925 533 1HB ASN 56 2HB ASN 56 2.199 6.146 5.280 534 2HB ASN 56 1HB ASN 56 3.881 6.211 5.803 535 1HD2 ASN 56 1HD2 ASN 56 1.180 8.000 4.596 536 2HD2 ASN 56 2HD2 ASN 56 1.855 9.575 4.815 537 H ARG 57 HN ARG 57 5.557 4.454 3.207 538 HA ARG 57 HA ARG 57 7.501 6.304 2.339 539 1HB ARG 57 2HB ARG 57 9.017 5.948 4.396 540 2HB ARG 57 1HB ARG 57 7.717 7.125 4.524 541 1HG ARG 57 2HG ARG 57 6.340 5.283 5.587 542 2HG ARG 57 1HG ARG 57 7.840 4.362 5.698 543 1HD ARG 57 2HD ARG 57 7.469 7.121 6.843 544 2HD ARG 57 1HD ARG 57 7.207 5.639 7.757 545 HE ARG 57 HE ARG 57 9.803 5.792 6.529 546 1HH1 ARG 57 1HH1 ARG 57 7.878 6.649 9.332 547 2HH1 ARG 57 2HH1 ARG 57 9.256 6.774 10.391 548 1HH2 ARG 57 1HH2 ARG 57 11.624 5.979 7.943 549 2HH2 ARG 57 2HH2 ARG 57 11.355 6.399 9.609 550 H ALA 58 HN ALA 58 7.463 3.346 4.356 551 HA ALA 58 HA ALA 58 8.021 1.573 2.258 552 1HB ALA 58 1HB ALA 58 10.473 2.310 3.859 553 2HB ALA 58 2HB ALA 58 10.193 2.709 2.166 554 3HB ALA 58 3HB ALA 58 10.362 1.025 2.658 555 H ALA 59 HN ALA 59 6.368 0.557 3.513 556 HA ALA 59 HA ALA 59 7.075 -0.500 6.120 557 1HB ALA 59 1HB ALA 59 4.761 0.167 5.675 558 2HB ALA 59 2HB ALA 59 4.874 -1.547 6.077 559 3HB ALA 59 3HB ALA 59 4.659 -1.049 4.399 560 H ALA 60 HN ALA 60 8.162 -2.300 6.412 561 HA ALA 60 HA ALA 60 7.796 -4.764 5.223 562 1HB ALA 60 1HB ALA 60 8.528 -3.727 3.120 563 2HB ALA 60 2HB ALA 60 9.641 -4.986 3.650 564 3HB ALA 60 3HB ALA 60 10.061 -3.288 3.875 565 H LEU 61 HN LEU 61 9.362 -2.663 7.244 566 HA LEU 61 HA LEU 61 11.666 -4.378 7.778 567 1HB LEU 61 2HB LEU 61 10.932 -1.658 8.863 568 2HB LEU 61 1HB LEU 61 12.410 -2.525 9.233 569 HG LEU 61 HG LEU 61 11.612 -1.540 6.490 570 1HD1 LEU 61 1HD1 LEU 61 12.153 0.299 7.985 571 2HD1 LEU 61 2HD1 LEU 61 13.434 0.072 6.793 572 3HD1 LEU 61 3HD1 LEU 61 13.656 -0.498 8.449 573 1HD2 LEU 61 1HD2 LEU 61 13.872 -2.173 5.839 574 2HD2 LEU 61 2HD2 LEU 61 12.981 -3.574 6.435 575 3HD2 LEU 61 3HD2 LEU 61 14.182 -2.790 7.462 576 H SER 62 HN SER 62 12.143 -5.175 9.841 577 HA SER 62 HA SER 62 11.776 -6.045 11.898 578 1HB SER 62 2HB SER 62 11.389 -3.624 12.436 579 2HB SER 62 1HB SER 62 9.663 -3.894 12.196 580 HG SER 62 HG SER 62 9.540 -4.900 14.056 581 H SER 63 HN SER 63 10.241 -6.968 9.570 582 HA SER 63 HA SER 63 8.567 -8.395 9.008 583 1HB SER 63 2HB SER 63 8.524 -8.899 11.984 584 2HB SER 63 1HB SER 63 7.798 -9.943 10.760 585 HG SER 63 HG SER 63 10.323 -9.884 11.655 586 H ASP 64 HN ASP 64 7.967 -5.570 9.818 587 HA ASP 64 HA ASP 64 5.236 -5.784 10.745 588 1HB ASP 64 2HB ASP 64 6.815 -3.814 11.257 589 2HB ASP 64 1HB ASP 64 6.506 -3.300 9.602 590 H VAL 65 HN VAL 65 3.902 -6.664 9.376 591 HA VAL 65 HA VAL 65 2.706 -7.188 7.574 592 HB VAL 65 HB VAL 65 3.721 -4.532 6.653 593 1HG1 VAL 65 1HG1 VAL 65 1.942 -4.573 4.947 594 2HG1 VAL 65 2HG1 VAL 65 1.559 -6.235 5.404 595 3HG1 VAL 65 3HG1 VAL 65 3.126 -5.854 4.687 596 1HG2 VAL 65 1HG2 VAL 65 1.462 -3.766 7.224 597 2HG2 VAL 65 2HG2 VAL 65 2.306 -4.448 8.615 598 3HG2 VAL 65 3HG2 VAL 65 1.067 -5.392 7.784 599 H ILE 66 HN ILE 66 5.700 -5.706 6.337 600 HA ILE 66 HA ILE 66 7.380 -6.543 5.064 601 HB ILE 66 HB ILE 66 5.978 -9.216 5.300 602 1HG1 ILE 66 2HG1 ILE 66 8.344 -8.085 6.820 603 2HG1 ILE 66 1HG1 ILE 66 6.707 -8.232 7.455 604 1HG2 ILE 66 1HG2 ILE 66 8.762 -8.535 4.350 605 2HG2 ILE 66 2HG2 ILE 66 7.447 -9.194 3.376 606 3HG2 ILE 66 3HG2 ILE 66 8.166 -10.167 4.659 607 1HD1 ILE 66 1HD1 ILE 66 8.468 -10.516 6.600 608 2HD1 ILE 66 2HD1 ILE 66 6.844 -10.650 7.275 609 3HD1 ILE 66 3HD1 ILE 66 8.157 -10.011 8.261 610 H SER 67 HN SER 67 4.090 -7.048 4.242 611 HA SER 67 HA SER 67 2.912 -6.633 2.369 612 1HB SER 67 2HB SER 67 4.422 -4.848 1.768 613 2HB SER 67 1HB SER 67 5.588 -5.998 1.117 614 HG SER 67 HG SER 67 3.151 -5.120 0.057 615 H ALA 68 HN ALA 68 5.904 -8.267 1.240 616 HA ALA 68 HA ALA 68 4.451 -10.022 -0.476 617 1HB ALA 68 1HB ALA 68 6.567 -11.197 -0.753 618 2HB ALA 68 2HB ALA 68 7.252 -10.312 0.611 619 3HB ALA 68 3HB ALA 68 6.809 -9.453 -0.864 620 H LEU 69 HN LEU 69 3.217 -11.609 0.108 621 HA LEU 69 HA LEU 69 2.297 -13.368 1.210 622 1HB LEU 69 2HB LEU 69 4.951 -13.587 2.629 623 2HB LEU 69 1HB LEU 69 3.709 -14.823 2.557 624 HG LEU 69 HG LEU 69 5.251 -13.772 0.181 625 1HD1 LEU 69 1HD1 LEU 69 6.342 -15.978 0.206 626 2HD1 LEU 69 2HD1 LEU 69 5.509 -16.363 1.713 627 3HD1 LEU 69 3HD1 LEU 69 6.687 -15.051 1.665 628 1HD2 LEU 69 1HD2 LEU 69 4.227 -15.651 -1.015 629 2HD2 LEU 69 2HD2 LEU 69 3.012 -14.526 -0.409 630 3HD2 LEU 69 3HD2 LEU 69 3.289 -16.058 0.424 631 H SER 70 HN SER 70 4.036 -11.102 3.247 632 HA SER 70 HA SER 70 3.447 -9.925 5.070 633 1HB SER 70 2HB SER 70 1.146 -9.858 4.006 634 2HB SER 70 1HB SER 70 0.728 -11.255 4.996 635 HG SER 70 HG SER 70 1.537 -9.782 6.802 636 H SER 71 HN SER 71 1.796 -13.074 5.477 637 HA SER 71 HA SER 71 2.647 -13.352 8.166 638 1HB SER 71 2HB SER 71 1.966 -15.662 6.350 639 2HB SER 71 1HB SER 71 1.675 -15.504 8.082 640 HG SER 71 HG SER 71 0.038 -14.056 7.681 641 H GLN 72 HN GLN 72 3.974 -14.219 5.067 642 HA GLN 72 HA GLN 72 5.979 -15.024 4.381 643 1HB GLN 72 2HB GLN 72 6.706 -14.217 7.193 644 2HB GLN 72 1HB GLN 72 7.880 -14.921 6.090 645 1HG GLN 72 2HG GLN 72 6.289 -12.487 5.333 646 2HG GLN 72 1HG GLN 72 7.777 -12.370 6.280 647 1HE2 GLN 72 1HE2 GLN 72 6.411 -13.102 3.179 648 2HE2 GLN 72 2HE2 GLN 72 7.907 -13.178 2.304 649 H LYS 73 HN LYS 73 7.783 -16.774 5.218 650 HA LYS 73 HA LYS 73 6.146 -19.079 5.906 651 1HB LYS 73 2HB LYS 73 9.040 -18.935 5.041 652 2HB LYS 73 1HB LYS 73 8.147 -20.419 5.340 653 1HG LYS 73 2HG LYS 73 7.743 -20.381 3.147 654 2HG LYS 73 1HG LYS 73 6.524 -19.170 3.549 655 1HD LYS 73 2HD LYS 73 7.833 -18.296 1.760 656 2HD LYS 73 1HD LYS 73 8.294 -17.420 3.222 657 1HE LYS 73 2HE LYS 73 10.268 -18.017 1.931 658 2HE LYS 73 1HE LYS 73 10.251 -18.876 3.470 659 1HZ LYS 73 1HZ LYS 73 10.889 -20.331 1.642 660 2HZ LYS 73 2HZ LYS 73 9.426 -20.014 0.849 661 3HZ LYS 73 3HZ LYS 73 9.425 -20.843 2.329 662 H LYS 74 HN LYS 74 5.794 -19.248 8.009 663 HA LYS 74 HA LYS 74 8.078 -19.519 9.798 664 1HB LYS 74 2HB LYS 74 5.791 -17.603 10.323 665 2HB LYS 74 1HB LYS 74 7.011 -18.056 11.503 666 1HG LYS 74 2HG LYS 74 8.742 -17.054 10.102 667 2HG LYS 74 1HG LYS 74 7.515 -16.597 8.918 668 1HD LYS 74 2HD LYS 74 6.424 -15.182 10.571 669 2HD LYS 74 1HD LYS 74 7.604 -15.674 11.789 670 1HE LYS 74 2HE LYS 74 8.162 -14.140 9.254 671 2HE LYS 74 1HE LYS 74 8.190 -13.502 10.898 672 1HZ LYS 74 1HZ LYS 74 9.976 -15.220 11.330 673 2HZ LYS 74 2HZ LYS 74 10.404 -13.905 10.346 674 3HZ LYS 74 3HZ LYS 74 10.067 -15.412 9.645 Start of MODEL 4 1 H HIS -9 H HIS -9 13.767 19.884 -17.922 2 HA HIS -9 HA HIS -9 15.567 19.391 -16.413 3 1HB HIS -9 2HB HIS -9 15.347 21.624 -17.657 4 2HB HIS -9 1HB HIS -9 14.859 22.312 -16.113 5 HD1 HIS -9 1HD HIS -9 17.731 21.950 -18.143 6 HD2 HIS -9 2HD HIS -9 17.028 21.645 -14.052 7 HE1 HIS -9 1HE HIS -9 19.974 22.240 -17.043 8 HE2 HIS -9 2HE HIS -9 19.522 22.119 -14.564 9 H SER -8 HN SER -8 13.064 21.403 -14.841 10 HA SER -8 HA SER -8 14.215 20.904 -12.239 11 1HB SER -8 2HB SER -8 13.124 23.071 -12.865 12 2HB SER -8 1HB SER -8 11.577 22.227 -12.911 13 HG SER -8 HG SER -8 11.545 22.106 -10.782 14 H SER -7 HN SER -7 12.023 19.292 -14.281 15 HA SER -7 HA SER -7 10.394 18.118 -12.245 16 1HB SER -7 2HB SER -7 9.702 18.359 -14.652 17 2HB SER -7 1HB SER -7 10.853 17.088 -15.055 18 HG SER -7 HG SER -7 9.553 15.963 -13.221 19 H GLY -6 HN GLY -6 13.589 17.736 -12.901 20 1HA GLY -6 2HA GLY -6 13.814 14.926 -12.290 21 2HA GLY -6 1HA GLY -6 15.126 16.104 -12.301 22 H HIS -5 HN HIS -5 12.746 17.458 -10.582 23 HA HIS -5 HA HIS -5 14.002 17.166 -8.056 24 1HB HIS -5 2HB HIS -5 12.685 19.164 -8.829 25 2HB HIS -5 1HB HIS -5 11.222 18.203 -8.695 26 HD1 HIS -5 1HD HIS -5 13.509 20.329 -6.779 27 HD2 HIS -5 2HD HIS -5 10.558 17.516 -5.984 28 HE1 HIS -5 1HE HIS -5 12.893 20.661 -4.359 29 HE2 HIS -5 2HE HIS -5 11.084 18.961 -3.896 30 H ILE -4 HN ILE -4 13.898 15.361 -6.882 31 HA ILE -4 HA ILE -4 11.848 13.412 -7.351 32 HB ILE -4 HB ILE -4 14.094 12.634 -6.907 33 1HG1 ILE -4 2HG1 ILE -4 13.624 11.030 -5.056 34 2HG1 ILE -4 1HG1 ILE -4 12.169 11.948 -4.679 35 1HG2 ILE -4 1HG2 ILE -4 13.825 13.929 -4.199 36 2HG2 ILE -4 2HG2 ILE -4 14.907 14.425 -5.501 37 3HG2 ILE -4 3HG2 ILE -4 15.146 12.870 -4.702 38 1HD1 ILE -4 1HD1 ILE -4 11.260 11.438 -6.872 39 2HD1 ILE -4 2HD1 ILE -4 11.678 9.960 -6.001 40 3HD1 ILE -4 3HD1 ILE -4 12.731 10.554 -7.286 41 H GLU -3 HN GLU -3 9.940 13.423 -6.464 42 HA GLU -3 HA GLU -3 9.581 14.690 -3.836 43 1HB GLU -3 2HB GLU -3 7.525 14.020 -5.954 44 2HB GLU -3 1HB GLU -3 7.195 14.820 -4.423 45 1HG GLU -3 2HG GLU -3 8.455 16.740 -5.080 46 2HG GLU -3 1HG GLU -3 9.017 15.927 -6.540 47 H GLY -2 HN GLY -2 8.437 13.573 -2.235 48 1HA GLY -2 2HA GLY -2 8.983 10.801 -2.127 49 2HA GLY -2 1HA GLY -2 8.020 11.707 -0.968 50 H ARG -1 HN ARG -1 7.928 9.208 -3.032 51 HA ARG -1 HA ARG -1 5.011 9.357 -3.199 52 1HB ARG -1 2HB ARG -1 4.913 8.582 -5.401 53 2HB ARG -1 1HB ARG -1 6.230 9.744 -5.454 54 1HG ARG -1 2HG ARG -1 6.616 6.769 -5.177 55 2HG ARG -1 1HG ARG -1 6.632 7.632 -6.714 56 1HD ARG -1 2HD ARG -1 8.503 9.039 -5.793 57 2HD ARG -1 1HD ARG -1 8.555 7.939 -4.416 58 HE ARG -1 HE ARG -1 8.786 6.678 -7.013 59 1HH1 ARG -1 1HH1 ARG -1 10.456 8.016 -4.253 60 2HH1 ARG -1 2HH1 ARG -1 11.962 7.224 -4.597 61 1HH2 ARG -1 1HH2 ARG -1 10.759 5.633 -7.505 62 2HH2 ARG -1 2HH2 ARG -1 12.128 5.858 -6.457 63 H HIS 0 HN HIS 0 4.031 7.131 -3.351 64 HA HIS 0 HA HIS 0 5.809 5.035 -2.393 65 1HB HIS 0 2HB HIS 0 4.316 4.430 -0.508 66 2HB HIS 0 1HB HIS 0 5.086 5.994 -0.302 67 HD1 HIS 0 1HD HIS 0 3.460 7.263 1.063 68 HD2 HIS 0 2HD HIS 0 1.608 5.281 -2.073 69 HE1 HIS 0 1HE HIS 0 1.072 8.024 1.112 70 HE2 HIS 0 2HE HIS 0 -0.075 6.671 -0.677 71 H MET 1 HN MET 1 5.326 3.104 -3.193 72 HA MET 1 HA MET 1 2.581 2.646 -4.156 73 1HB MET 1 2HB MET 1 4.258 2.607 -5.976 74 2HB MET 1 1HB MET 1 5.146 1.352 -5.122 75 1HG MET 1 2HG MET 1 3.311 -0.190 -5.394 76 2HG MET 1 1HG MET 1 2.325 1.072 -6.134 77 1HE MET 1 1HE MET 1 4.211 1.720 -9.503 78 2HE MET 1 2HE MET 1 4.400 2.582 -7.976 79 3HE MET 1 3HE MET 1 2.791 2.113 -8.529 80 H LEU 2 HN LEU 2 1.609 1.621 -2.465 81 HA LEU 2 HA LEU 2 3.200 -0.394 -1.042 82 1HB LEU 2 2HB LEU 2 2.031 1.573 0.203 83 2HB LEU 2 1HB LEU 2 0.557 0.669 -0.091 84 HG LEU 2 HG LEU 2 1.790 0.387 2.184 85 1HD1 LEU 2 1HD1 LEU 2 -0.153 -0.936 1.513 86 2HD1 LEU 2 2HD1 LEU 2 1.028 -1.923 2.372 87 3HD1 LEU 2 3HD1 LEU 2 0.900 -2.031 0.616 88 1HD2 LEU 2 1HD2 LEU 2 3.362 -1.533 0.467 89 2HD2 LEU 2 2HD2 LEU 2 3.391 -1.456 2.227 90 3HD2 LEU 2 3HD2 LEU 2 4.004 -0.105 1.280 91 H VAL 3 HN VAL 3 2.835 -2.426 -1.459 92 HA VAL 3 HA VAL 3 0.556 -3.220 -3.037 93 HB VAL 3 HB VAL 3 1.822 -5.460 -2.904 94 1HG1 VAL 3 1HG1 VAL 3 1.717 -4.081 -4.905 95 2HG1 VAL 3 2HG1 VAL 3 3.339 -4.744 -4.707 96 3HG1 VAL 3 3HG1 VAL 3 3.017 -3.061 -4.286 97 1HG2 VAL 3 1HG2 VAL 3 3.971 -3.571 -1.968 98 2HG2 VAL 3 2HG2 VAL 3 4.224 -5.240 -2.478 99 3HG2 VAL 3 3HG2 VAL 3 3.274 -4.894 -1.034 100 H LEU 4 HN LEU 4 -1.119 -4.313 -2.323 101 HA LEU 4 HA LEU 4 -1.215 -5.172 0.494 102 1HB LEU 4 2HB LEU 4 -3.597 -4.720 -1.281 103 2HB LEU 4 1HB LEU 4 -3.556 -4.825 0.444 104 HG LEU 4 HG LEU 4 -2.400 -2.596 0.490 105 1HD1 LEU 4 1HD1 LEU 4 -3.332 -2.534 -2.380 106 2HD1 LEU 4 2HD1 LEU 4 -1.649 -2.584 -1.856 107 3HD1 LEU 4 3HD1 LEU 4 -2.650 -1.185 -1.468 108 1HD2 LEU 4 1HD2 LEU 4 -5.161 -2.775 -0.701 109 2HD2 LEU 4 2HD2 LEU 4 -4.503 -1.426 0.223 110 3HD2 LEU 4 3HD2 LEU 4 -4.761 -2.984 1.004 111 H SER 5 HN SER 5 -1.829 -7.301 0.884 112 HA SER 5 HA SER 5 -1.815 -9.013 -1.472 113 1HB SER 5 2HB SER 5 -1.792 -10.828 0.404 114 2HB SER 5 1HB SER 5 -0.344 -9.871 0.105 115 HG SER 5 HG SER 5 -0.673 -8.748 1.922 116 H ARG 6 HN ARG 6 -3.741 -9.186 -2.434 117 HA ARG 6 HA ARG 6 -6.020 -10.181 -0.919 118 1HB ARG 6 2HB ARG 6 -6.207 -7.697 -0.810 119 2HB ARG 6 1HB ARG 6 -6.186 -7.641 -2.564 120 1HG ARG 6 2HG ARG 6 -8.426 -7.422 -2.019 121 2HG ARG 6 1HG ARG 6 -8.268 -9.125 -2.447 122 1HD ARG 6 2HD ARG 6 -8.381 -9.807 -0.201 123 2HD ARG 6 1HD ARG 6 -8.049 -8.180 0.395 124 HE ARG 6 HE ARG 6 -10.463 -8.321 -1.152 125 1HH1 ARG 6 1HH1 ARG 6 -9.168 -8.996 2.050 126 2HH1 ARG 6 2HH1 ARG 6 -10.666 -8.633 2.858 127 1HH2 ARG 6 1HH2 ARG 6 -12.397 -7.835 -0.088 128 2HH2 ARG 6 2HH2 ARG 6 -12.495 -7.970 1.642 129 H LYS 7 HN LYS 7 -6.844 -11.814 -2.149 130 HA LYS 7 HA LYS 7 -5.751 -11.961 -4.869 131 1HB LYS 7 2HB LYS 7 -6.605 -14.221 -3.047 132 2HB LYS 7 1HB LYS 7 -5.869 -14.401 -4.634 133 1HG LYS 7 2HG LYS 7 -4.058 -14.722 -3.268 134 2HG LYS 7 1HG LYS 7 -3.936 -12.990 -3.582 135 1HD LYS 7 2HD LYS 7 -5.392 -12.798 -1.415 136 2HD LYS 7 1HD LYS 7 -4.792 -14.421 -1.102 137 1HE LYS 7 2HE LYS 7 -2.491 -13.577 -1.329 138 2HE LYS 7 1HE LYS 7 -3.132 -11.940 -1.553 139 1HZ LYS 7 1HZ LYS 7 -2.427 -12.425 0.762 140 2HZ LYS 7 2HZ LYS 7 -3.607 -13.639 0.857 141 3HZ LYS 7 3HZ LYS 7 -4.072 -12.025 0.651 142 H ILE 8 HN ILE 8 -8.358 -10.818 -3.868 143 HA ILE 8 HA ILE 8 -10.285 -12.493 -5.286 144 HB ILE 8 HB ILE 8 -10.898 -9.941 -3.809 145 1HG1 ILE 8 2HG1 ILE 8 -10.627 -12.736 -2.655 146 2HG1 ILE 8 1HG1 ILE 8 -9.585 -11.364 -2.292 147 1HG2 ILE 8 1HG2 ILE 8 -13.078 -11.038 -3.464 148 2HG2 ILE 8 2HG2 ILE 8 -12.509 -12.430 -4.388 149 3HG2 ILE 8 3HG2 ILE 8 -12.687 -10.861 -5.175 150 1HD1 ILE 8 1HD1 ILE 8 -12.519 -11.559 -1.635 151 2HD1 ILE 8 2HD1 ILE 8 -11.451 -10.215 -1.238 152 3HD1 ILE 8 3HD1 ILE 8 -11.187 -11.796 -0.506 153 H ASN 9 HN ASN 9 -8.183 -10.127 -5.964 154 HA ASN 9 HA ASN 9 -8.144 -8.178 -7.190 155 1HB ASN 9 2HB ASN 9 -9.019 -10.184 -9.261 156 2HB ASN 9 1HB ASN 9 -8.142 -8.695 -9.535 157 1HD2 ASN 9 1HD2 ASN 9 -7.413 -11.482 -10.065 158 2HD2 ASN 9 2HD2 ASN 9 -5.910 -11.717 -9.243 159 H GLU 10 HN GLU 10 -9.913 -7.328 -6.000 160 HA GLU 10 HA GLU 10 -12.358 -6.876 -7.538 161 1HB GLU 10 2HB GLU 10 -13.034 -5.873 -5.248 162 2HB GLU 10 1HB GLU 10 -12.838 -7.623 -5.341 163 1HG GLU 10 2HG GLU 10 -10.461 -7.269 -4.546 164 2HG GLU 10 1HG GLU 10 -10.933 -5.610 -4.171 165 H ALA 11 HN ALA 11 -12.564 -4.413 -5.692 166 HA ALA 11 HA ALA 11 -10.354 -2.745 -6.635 167 1HB ALA 11 1HB ALA 11 -13.259 -2.023 -7.105 168 2HB ALA 11 2HB ALA 11 -12.069 -2.413 -8.350 169 3HB ALA 11 3HB ALA 11 -11.881 -0.955 -7.374 170 H ILE 12 HN ILE 12 -9.796 -1.220 -5.113 171 HA ILE 12 HA ILE 12 -11.350 -1.440 -2.625 172 HB ILE 12 HB ILE 12 -8.455 -0.624 -2.935 173 1HG1 ILE 12 2HG1 ILE 12 -8.766 -2.981 -3.534 174 2HG1 ILE 12 1HG1 ILE 12 -7.915 -2.833 -2.001 175 1HG2 ILE 12 1HG2 ILE 12 -10.070 -1.284 -0.474 176 2HG2 ILE 12 2HG2 ILE 12 -9.521 0.322 -0.959 177 3HG2 ILE 12 3HG2 ILE 12 -8.346 -0.913 -0.509 178 1HD1 ILE 12 1HD1 ILE 12 -9.979 -3.335 -0.804 179 2HD1 ILE 12 2HD1 ILE 12 -9.552 -4.620 -1.932 180 3HD1 ILE 12 3HD1 ILE 12 -10.836 -3.480 -2.339 181 H GLN 13 HN GLN 13 -12.663 0.180 -2.422 182 HA GLN 13 HA GLN 13 -11.742 2.925 -2.988 183 1HB GLN 13 2HB GLN 13 -13.658 2.452 -4.331 184 2HB GLN 13 1HB GLN 13 -14.486 1.659 -2.999 185 1HG GLN 13 2HG GLN 13 -15.524 3.767 -3.372 186 2HG GLN 13 1HG GLN 13 -14.636 3.862 -1.856 187 1HE2 GLN 13 1HE2 GLN 13 -12.824 5.182 -1.725 188 2HE2 GLN 13 2HE2 GLN 13 -12.478 6.380 -2.918 189 H ILE 14 HN ILE 14 -10.854 3.541 -1.107 190 HA ILE 14 HA ILE 14 -12.561 3.252 1.259 191 HB ILE 14 HB ILE 14 -10.533 3.459 2.668 192 1HG1 ILE 14 2HG1 ILE 14 -9.136 4.432 0.700 193 2HG1 ILE 14 1HG1 ILE 14 -8.355 3.364 1.857 194 1HG2 ILE 14 1HG2 ILE 14 -10.640 1.119 0.776 195 2HG2 ILE 14 2HG2 ILE 14 -11.554 1.314 2.273 196 3HG2 ILE 14 3HG2 ILE 14 -9.799 1.136 2.327 197 1HD1 ILE 14 1HD1 ILE 14 -7.672 2.860 -0.408 198 2HD1 ILE 14 2HD1 ILE 14 -9.351 2.588 -0.873 199 3HD1 ILE 14 3HD1 ILE 14 -8.570 1.511 0.284 200 H GLY 15 HN GLY 15 -13.605 5.018 1.565 201 1HA GLY 15 2HA GLY 15 -13.827 7.074 2.570 202 2HA GLY 15 1HA GLY 15 -12.097 7.328 2.384 203 H ALA 16 HN ALA 16 -11.405 7.546 0.051 204 HA ALA 16 HA ALA 16 -12.791 8.619 -1.997 205 1HB ALA 16 1HB ALA 16 -12.265 10.842 -0.016 206 2HB ALA 16 2HB ALA 16 -13.854 10.191 -0.413 207 3HB ALA 16 3HB ALA 16 -12.910 11.025 -1.647 208 H ASP 17 HN ASP 17 -10.084 8.738 0.115 209 HA ASP 17 HA ASP 17 -8.413 10.344 -1.563 210 1HB ASP 17 2HB ASP 17 -8.131 10.219 0.921 211 2HB ASP 17 1HB ASP 17 -7.585 8.556 0.739 212 H ILE 18 HN ILE 18 -8.848 6.888 -0.909 213 HA ILE 18 HA ILE 18 -7.190 6.407 -3.291 214 HB ILE 18 HB ILE 18 -7.173 4.800 -0.737 215 1HG1 ILE 18 2HG1 ILE 18 -5.738 6.794 -0.721 216 2HG1 ILE 18 1HG1 ILE 18 -4.773 5.321 -0.735 217 1HG2 ILE 18 1HG2 ILE 18 -7.198 3.293 -2.652 218 2HG2 ILE 18 2HG2 ILE 18 -5.622 3.281 -1.860 219 3HG2 ILE 18 3HG2 ILE 18 -5.845 4.165 -3.372 220 1HD1 ILE 18 1HD1 ILE 18 -4.386 5.609 -3.135 221 2HD1 ILE 18 2HD1 ILE 18 -3.820 6.993 -2.199 222 3HD1 ILE 18 3HD1 ILE 18 -5.334 7.097 -3.098 223 H GLU 19 HN GLU 19 -8.303 5.564 -4.837 224 HA GLU 19 HA GLU 19 -10.017 3.258 -4.277 225 1HB GLU 19 2HB GLU 19 -11.573 4.054 -6.096 226 2HB GLU 19 1HB GLU 19 -11.617 5.005 -4.617 227 1HG GLU 19 2HG GLU 19 -10.360 6.758 -5.606 228 2HG GLU 19 1HG GLU 19 -9.985 5.775 -7.020 229 H VAL 20 HN VAL 20 -9.019 1.586 -5.276 230 HA VAL 20 HA VAL 20 -8.697 1.300 -7.994 231 HB VAL 20 HB VAL 20 -7.039 3.179 -7.774 232 1HG1 VAL 20 1HG1 VAL 20 -4.808 2.653 -6.865 233 2HG1 VAL 20 2HG1 VAL 20 -5.445 1.129 -6.245 234 3HG1 VAL 20 3HG1 VAL 20 -6.069 2.660 -5.631 235 1HG2 VAL 20 1HG2 VAL 20 -5.308 2.131 -9.172 236 2HG2 VAL 20 2HG2 VAL 20 -6.939 1.688 -9.679 237 3HG2 VAL 20 3HG2 VAL 20 -5.959 0.544 -8.764 238 H LYS 21 HN LYS 21 -7.893 -0.753 -8.533 239 HA LYS 21 HA LYS 21 -6.261 -2.080 -6.498 240 1HB LYS 21 2HB LYS 21 -8.765 -3.060 -7.617 241 2HB LYS 21 1HB LYS 21 -7.431 -4.191 -7.821 242 1HG LYS 21 2HG LYS 21 -7.036 -3.534 -5.273 243 2HG LYS 21 1HG LYS 21 -8.777 -3.255 -5.366 244 1HD LYS 21 2HD LYS 21 -8.094 -5.569 -4.632 245 2HD LYS 21 1HD LYS 21 -9.171 -5.521 -6.030 246 1HE LYS 21 2HE LYS 21 -7.562 -6.245 -7.472 247 2HE LYS 21 1HE LYS 21 -6.250 -5.506 -6.557 248 1HZ LYS 21 1HZ LYS 21 -7.719 -7.926 -5.663 249 2HZ LYS 21 2HZ LYS 21 -6.310 -7.284 -4.990 250 3HZ LYS 21 3HZ LYS 21 -6.268 -7.982 -6.532 251 H VAL 22 HN VAL 22 -4.381 -1.688 -7.450 252 HA VAL 22 HA VAL 22 -3.940 -2.455 -10.215 253 HB VAL 22 HB VAL 22 -1.927 -1.666 -8.086 254 1HG1 VAL 22 1HG1 VAL 22 -1.622 -1.846 -11.082 255 2HG1 VAL 22 2HG1 VAL 22 -0.937 -2.968 -9.907 256 3HG1 VAL 22 3HG1 VAL 22 -0.396 -1.290 -9.945 257 1HG2 VAL 22 1HG2 VAL 22 -3.166 -0.001 -10.274 258 2HG2 VAL 22 2HG2 VAL 22 -1.900 0.525 -9.166 259 3HG2 VAL 22 3HG2 VAL 22 -3.506 0.139 -8.550 260 H ILE 23 HN ILE 23 -3.913 -4.588 -10.624 261 HA ILE 23 HA ILE 23 -3.173 -6.403 -8.471 262 HB ILE 23 HB ILE 23 -4.366 -7.086 -11.163 263 1HG1 ILE 23 2HG1 ILE 23 -5.912 -7.121 -8.618 264 2HG1 ILE 23 1HG1 ILE 23 -5.646 -5.564 -9.404 265 1HG2 ILE 23 1HG2 ILE 23 -4.132 -8.680 -8.627 266 2HG2 ILE 23 2HG2 ILE 23 -3.201 -8.935 -10.103 267 3HG2 ILE 23 3HG2 ILE 23 -4.945 -9.197 -10.105 268 1HD1 ILE 23 1HD1 ILE 23 -7.767 -6.478 -10.079 269 2HD1 ILE 23 2HD1 ILE 23 -6.999 -7.981 -10.592 270 3HD1 ILE 23 3HD1 ILE 23 -6.668 -6.480 -11.458 271 H ALA 24 HN ALA 24 -1.261 -7.297 -8.365 272 HA ALA 24 HA ALA 24 0.456 -7.216 -10.754 273 1HB ALA 24 1HB ALA 24 0.966 -5.343 -9.247 274 2HB ALA 24 2HB ALA 24 2.314 -6.475 -9.381 275 3HB ALA 24 3HB ALA 24 1.285 -6.493 -7.947 276 H VAL 25 HN VAL 25 2.681 -8.372 -9.969 277 HA VAL 25 HA VAL 25 1.792 -11.119 -9.573 278 HB VAL 25 HB VAL 25 4.526 -10.123 -10.379 279 1HG1 VAL 25 1HG1 VAL 25 4.495 -12.400 -9.481 280 2HG1 VAL 25 2HG1 VAL 25 4.875 -12.383 -11.204 281 3HG1 VAL 25 3HG1 VAL 25 3.262 -12.844 -10.659 282 1HG2 VAL 25 1HG2 VAL 25 2.860 -9.382 -11.989 283 2HG2 VAL 25 2HG2 VAL 25 2.240 -11.027 -12.122 284 3HG2 VAL 25 3HG2 VAL 25 3.871 -10.653 -12.676 285 H GLU 26 HN GLU 26 2.071 -12.194 -7.767 286 HA GLU 26 HA GLU 26 4.271 -11.451 -5.944 287 1HB GLU 26 2HB GLU 26 1.958 -10.991 -5.052 288 2HB GLU 26 1HB GLU 26 1.615 -12.708 -5.202 289 1HG GLU 26 2HG GLU 26 2.112 -12.300 -2.942 290 2HG GLU 26 1HG GLU 26 3.506 -13.135 -3.624 291 H GLY 27 HN GLY 27 4.444 -13.154 -8.184 292 1HA GLY 27 2HA GLY 27 5.370 -15.198 -8.714 293 2HA GLY 27 1HA GLY 27 5.300 -15.627 -7.008 294 H ASP 28 HN ASP 28 3.324 -16.386 -6.144 295 HA ASP 28 HA ASP 28 1.387 -17.352 -8.135 296 1HB ASP 28 2HB ASP 28 1.164 -19.461 -6.877 297 2HB ASP 28 1HB ASP 28 2.807 -19.240 -7.475 298 H GLN 29 HN GLN 29 1.719 -15.206 -5.939 299 HA GLN 29 HA GLN 29 -0.929 -15.622 -4.710 300 1HB GLN 29 2HB GLN 29 0.852 -15.450 -3.029 301 2HB GLN 29 1HB GLN 29 1.412 -13.954 -3.760 302 1HG GLN 29 2HG GLN 29 -0.462 -12.753 -3.012 303 2HG GLN 29 1HG GLN 29 -1.345 -14.227 -2.600 304 1HE2 GLN 29 1HE2 GLN 29 1.013 -11.936 -1.652 305 2HE2 GLN 29 2HE2 GLN 29 1.250 -12.503 -0.037 306 H VAL 30 HN VAL 30 -2.364 -13.811 -4.754 307 HA VAL 30 HA VAL 30 -1.613 -11.926 -6.871 308 HB VAL 30 HB VAL 30 -4.486 -12.452 -6.221 309 1HG1 VAL 30 1HG1 VAL 30 -3.075 -11.813 -8.806 310 2HG1 VAL 30 2HG1 VAL 30 -3.866 -10.638 -7.752 311 3HG1 VAL 30 3HG1 VAL 30 -4.819 -11.891 -8.549 312 1HG2 VAL 30 1HG2 VAL 30 -3.533 -14.685 -6.488 313 2HG2 VAL 30 2HG2 VAL 30 -2.825 -14.202 -8.031 314 3HG2 VAL 30 3HG2 VAL 30 -4.578 -14.270 -7.846 315 H LYS 31 HN LYS 31 -1.592 -9.856 -6.425 316 HA LYS 31 HA LYS 31 -2.855 -8.935 -3.952 317 1HB LYS 31 2HB LYS 31 -0.832 -7.948 -3.177 318 2HB LYS 31 1HB LYS 31 -0.479 -9.625 -3.597 319 1HG LYS 31 2HG LYS 31 0.233 -8.648 -5.880 320 2HG LYS 31 1HG LYS 31 0.267 -7.104 -5.046 321 1HD LYS 31 2HD LYS 31 1.813 -9.557 -4.249 322 2HD LYS 31 1HD LYS 31 2.465 -8.169 -5.119 323 1HE LYS 31 2HE LYS 31 1.749 -6.744 -3.180 324 2HE LYS 31 1HE LYS 31 1.380 -8.244 -2.321 325 1HZ LYS 31 1HZ LYS 31 3.656 -7.324 -1.893 326 2HZ LYS 31 2HZ LYS 31 4.043 -7.703 -3.502 327 3HZ LYS 31 3HZ LYS 31 3.616 -8.935 -2.419 328 H LEU 32 HN LEU 32 -3.296 -6.737 -3.844 329 HA LEU 32 HA LEU 32 -3.222 -5.283 -6.402 330 1HB LEU 32 2HB LEU 32 -4.953 -3.906 -5.615 331 2HB LEU 32 1HB LEU 32 -5.415 -5.521 -5.122 332 HG LEU 32 HG LEU 32 -3.881 -4.243 -3.041 333 1HD1 LEU 32 1HD1 LEU 32 -6.380 -2.811 -3.958 334 2HD1 LEU 32 2HD1 LEU 32 -4.738 -2.172 -4.046 335 3HD1 LEU 32 3HD1 LEU 32 -5.480 -2.482 -2.476 336 1HD2 LEU 32 1HD2 LEU 32 -5.349 -6.160 -2.728 337 2HD2 LEU 32 2HD2 LEU 32 -6.741 -5.190 -3.209 338 3HD2 LEU 32 3HD2 LEU 32 -5.869 -4.804 -1.725 339 H GLY 33 HN GLY 33 -2.712 -2.885 -6.157 340 1HA GLY 33 2HA GLY 33 -1.303 -2.282 -3.666 341 2HA GLY 33 1HA GLY 33 -0.385 -2.134 -5.173 342 H ILE 34 HN ILE 34 -1.077 -0.052 -3.222 343 HA ILE 34 HA ILE 34 -2.584 1.699 -5.042 344 HB ILE 34 HB ILE 34 -3.328 3.050 -3.244 345 1HG1 ILE 34 2HG1 ILE 34 -2.128 1.461 -1.059 346 2HG1 ILE 34 1HG1 ILE 34 -1.013 2.496 -1.960 347 1HG2 ILE 34 1HG2 ILE 34 -4.593 1.468 -1.881 348 2HG2 ILE 34 2HG2 ILE 34 -3.570 0.158 -2.468 349 3HG2 ILE 34 3HG2 ILE 34 -4.607 1.040 -3.590 350 1HD1 ILE 34 1HD1 ILE 34 -1.885 3.629 -0.006 351 2HD1 ILE 34 2HD1 ILE 34 -3.536 3.373 -0.569 352 3HD1 ILE 34 3HD1 ILE 34 -2.447 4.419 -1.479 353 H ASP 35 HN ASP 35 -1.446 3.275 -6.006 354 HA ASP 35 HA ASP 35 1.107 4.025 -4.754 355 1HB ASP 35 2HB ASP 35 1.990 4.522 -6.980 356 2HB ASP 35 1HB ASP 35 1.445 2.853 -6.890 357 H ALA 36 HN ALA 36 1.265 5.982 -4.061 358 HA ALA 36 HA ALA 36 -0.231 8.163 -5.302 359 1HB ALA 36 1HB ALA 36 -0.332 7.543 -2.349 360 2HB ALA 36 2HB ALA 36 -1.665 7.382 -3.489 361 3HB ALA 36 3HB ALA 36 -1.011 8.977 -3.120 362 HA PRO 37 HA PRO 37 3.601 10.222 -4.576 363 1HB PRO 37 2HB PRO 37 2.890 12.811 -4.636 364 2HB PRO 37 1HB PRO 37 2.794 11.787 -6.072 365 1HG PRO 37 2HG PRO 37 0.623 12.691 -4.241 366 2HG PRO 37 1HG PRO 37 0.599 12.500 -6.001 367 1HD PRO 37 2HD PRO 37 -0.426 10.682 -4.184 368 2HD PRO 37 1HD PRO 37 0.031 10.299 -5.859 369 H LYS 38 HN LYS 38 2.694 9.168 -2.269 370 HA LYS 38 HA LYS 38 2.880 9.215 -0.026 371 1HB LYS 38 2HB LYS 38 5.023 10.513 -0.721 372 2HB LYS 38 1HB LYS 38 4.165 11.905 -0.078 373 1HG LYS 38 2HG LYS 38 5.654 10.940 1.584 374 2HG LYS 38 1HG LYS 38 3.969 10.796 2.088 375 1HD LYS 38 2HD LYS 38 3.968 8.524 1.927 376 2HD LYS 38 1HD LYS 38 5.090 8.519 0.562 377 1HE LYS 38 2HE LYS 38 6.904 9.170 2.170 378 2HE LYS 38 1HE LYS 38 5.750 8.913 3.477 379 1HZ LYS 38 1HZ LYS 38 5.542 6.593 2.750 380 2HZ LYS 38 2HZ LYS 38 7.140 6.978 3.169 381 3HZ LYS 38 3HZ LYS 38 6.699 6.864 1.537 382 H HIS 39 HN HIS 39 2.447 12.623 -0.736 383 HA HIS 39 HA HIS 39 1.181 14.143 0.321 384 1HB HIS 39 2HB HIS 39 -1.041 14.191 -0.512 385 2HB HIS 39 1HB HIS 39 -0.067 13.380 -1.722 386 HD1 HIS 39 1HD HIS 39 -0.183 10.539 -1.108 387 HD2 HIS 39 2HD HIS 39 -3.439 12.983 -0.314 388 HE1 HIS 39 1HE HIS 39 -2.131 9.001 -0.887 389 HE2 HIS 39 2HE HIS 39 -4.117 10.490 -0.429 390 H ILE 40 HN ILE 40 -1.597 13.610 1.304 391 HA ILE 40 HA ILE 40 -0.852 12.621 3.967 392 HB ILE 40 HB ILE 40 -2.834 13.898 4.781 393 1HG1 ILE 40 2HG1 ILE 40 -3.792 13.935 2.331 394 2HG1 ILE 40 1HG1 ILE 40 -4.120 15.277 3.428 395 1HG2 ILE 40 1HG2 ILE 40 -0.639 14.838 5.034 396 2HG2 ILE 40 2HG2 ILE 40 -1.770 16.124 4.606 397 3HG2 ILE 40 3HG2 ILE 40 -0.675 15.469 3.388 398 1HD1 ILE 40 1HD1 ILE 40 -1.982 15.241 1.305 399 2HD1 ILE 40 2HD1 ILE 40 -2.389 16.596 2.358 400 3HD1 ILE 40 3HD1 ILE 40 -3.557 16.023 1.166 401 H ASP 41 HN ASP 41 -1.936 10.941 4.841 402 HA ASP 41 HA ASP 41 -3.964 9.691 3.163 403 1HB ASP 41 2HB ASP 41 -3.684 7.720 4.653 404 2HB ASP 41 1HB ASP 41 -2.200 8.206 3.847 405 H ILE 42 HN ILE 42 -5.936 10.265 3.473 406 HA ILE 42 HA ILE 42 -6.794 11.528 5.922 407 HB ILE 42 HB ILE 42 -8.445 10.901 3.477 408 1HG1 ILE 42 2HG1 ILE 42 -6.369 12.125 2.877 409 2HG1 ILE 42 1HG1 ILE 42 -7.826 13.072 2.589 410 1HG2 ILE 42 1HG2 ILE 42 -9.736 11.568 5.433 411 2HG2 ILE 42 2HG2 ILE 42 -9.785 12.823 4.193 412 3HG2 ILE 42 3HG2 ILE 42 -8.745 13.017 5.605 413 1HD1 ILE 42 1HD1 ILE 42 -7.429 14.324 4.637 414 2HD1 ILE 42 2HD1 ILE 42 -6.037 14.416 3.558 415 3HD1 ILE 42 3HD1 ILE 42 -5.996 13.350 4.961 416 H HIS 43 HN HIS 43 -8.283 10.723 7.386 417 HA HIS 43 HA HIS 43 -9.633 8.203 6.739 418 1HB HIS 43 2HB HIS 43 -8.587 8.531 9.525 419 2HB HIS 43 1HB HIS 43 -9.037 7.060 8.664 420 HD1 HIS 43 1HD HIS 43 -6.190 8.733 9.900 421 HD2 HIS 43 2HD HIS 43 -7.026 6.659 6.390 422 HE1 HIS 43 1HE HIS 43 -3.964 8.062 8.966 423 HE2 HIS 43 2HE HIS 43 -4.476 7.016 6.752 424 H ARG 44 HN ARG 44 -11.395 7.756 8.364 425 HA ARG 44 HA ARG 44 -12.696 10.313 9.049 426 1HB ARG 44 2HB ARG 44 -13.895 8.788 7.498 427 2HB ARG 44 1HB ARG 44 -13.907 7.556 8.752 428 1HG ARG 44 2HG ARG 44 -15.197 9.157 10.183 429 2HG ARG 44 1HG ARG 44 -15.329 10.203 8.768 430 1HD ARG 44 2HD ARG 44 -16.310 7.359 8.964 431 2HD ARG 44 1HD ARG 44 -17.314 8.807 9.043 432 HE ARG 44 HE ARG 44 -16.495 9.248 6.702 433 1HH1 ARG 44 1HH1 ARG 44 -16.611 6.002 8.002 434 2HH1 ARG 44 2HH1 ARG 44 -16.894 5.252 6.464 435 1HH2 ARG 44 1HH2 ARG 44 -16.876 8.267 4.657 436 2HH2 ARG 44 2HH2 ARG 44 -17.032 6.529 4.568 437 H LYS 45 HN LYS 45 -13.277 7.094 10.339 438 HA LYS 45 HA LYS 45 -11.971 7.791 12.864 439 1HB LYS 45 2HB LYS 45 -14.264 8.140 13.455 440 2HB LYS 45 1HB LYS 45 -14.786 6.725 12.544 441 1HG LYS 45 2HG LYS 45 -13.544 5.299 14.152 442 2HG LYS 45 1HG LYS 45 -13.185 6.744 15.096 443 1HD LYS 45 2HD LYS 45 -15.441 7.070 15.658 444 2HD LYS 45 1HD LYS 45 -16.000 5.957 14.407 445 1HE LYS 45 2HE LYS 45 -16.155 4.966 16.646 446 2HE LYS 45 1HE LYS 45 -15.044 4.081 15.606 447 1HZ LYS 45 1HZ LYS 45 -14.243 6.063 17.672 448 2HZ LYS 45 2HZ LYS 45 -13.188 5.150 16.701 449 3HZ LYS 45 3HZ LYS 45 -14.171 4.380 17.847 450 H GLU 46 HN GLU 46 -10.567 6.212 13.382 451 HA GLU 46 HA GLU 46 -9.405 4.250 13.280 452 1HB GLU 46 2HB GLU 46 -11.561 3.321 14.126 453 2HB GLU 46 1HB GLU 46 -12.066 3.050 12.468 454 1HG GLU 46 2HG GLU 46 -10.301 1.441 12.155 455 2HG GLU 46 1HG GLU 46 -9.673 1.775 13.770 456 H ILE 47 HN ILE 47 -7.947 4.049 11.691 457 HA ILE 47 HA ILE 47 -8.305 5.352 9.311 458 HB ILE 47 HB ILE 47 -6.230 4.474 8.517 459 1HG1 ILE 47 2HG1 ILE 47 -6.271 2.510 10.822 460 2HG1 ILE 47 1HG1 ILE 47 -6.668 2.081 9.162 461 1HG2 ILE 47 1HG2 ILE 47 -6.183 4.908 11.502 462 2HG2 ILE 47 2HG2 ILE 47 -6.130 6.158 10.259 463 3HG2 ILE 47 3HG2 ILE 47 -4.787 5.029 10.431 464 1HD1 ILE 47 1HD1 ILE 47 -4.441 2.596 8.438 465 2HD1 ILE 47 2HD1 ILE 47 -4.363 1.494 9.815 466 3HD1 ILE 47 3HD1 ILE 47 -4.022 3.209 10.039 467 H TYR 48 HN TYR 48 -9.112 4.969 7.409 468 HA TYR 48 HA TYR 48 -10.267 2.371 6.894 469 1HB TYR 48 2HB TYR 48 -11.592 3.458 5.202 470 2HB TYR 48 1HB TYR 48 -11.614 4.412 6.675 471 HD1 TYR 48 1HD TYR 48 -9.147 4.335 3.898 472 HD2 TYR 48 2HD TYR 48 -12.033 6.618 6.022 473 HE1 TYR 48 1HE TYR 48 -8.462 6.341 2.662 474 HE2 TYR 48 2HE TYR 48 -11.359 8.625 4.791 475 HH TYR 48 HH TYR 48 -9.494 8.558 2.031 476 H LEU 49 HN LEU 49 -7.365 3.716 6.307 477 HA LEU 49 HA LEU 49 -7.120 2.787 3.533 478 1HB LEU 49 2HB LEU 49 -6.026 5.035 5.052 479 2HB LEU 49 1HB LEU 49 -4.799 4.149 4.167 480 HG LEU 49 HG LEU 49 -7.303 5.200 2.860 481 1HD1 LEU 49 1HD1 LEU 49 -5.936 7.055 2.052 482 2HD1 LEU 49 2HD1 LEU 49 -4.582 6.486 3.030 483 3HD1 LEU 49 3HD1 LEU 49 -6.051 7.071 3.811 484 1HD2 LEU 49 1HD2 LEU 49 -5.983 4.912 0.825 485 2HD2 LEU 49 2HD2 LEU 49 -6.157 3.390 1.698 486 3HD2 LEU 49 3HD2 LEU 49 -4.641 4.286 1.782 487 H THR 50 HN THR 50 -4.787 3.187 6.150 488 HA THR 50 HA THR 50 -3.391 1.730 7.178 489 HB THR 50 HB THR 50 -5.039 -0.353 5.766 490 HG1 THR 50 1HG THR 50 -6.163 -0.481 7.626 491 1HG2 THR 50 1HG2 THR 50 -2.819 -1.256 6.287 492 2HG2 THR 50 2HG2 THR 50 -4.052 -1.983 7.317 493 3HG2 THR 50 3HG2 THR 50 -2.994 -0.729 7.960 494 H ILE 51 HN ILE 51 -3.976 1.333 3.776 495 HA ILE 51 HA ILE 51 -1.686 -0.109 3.059 496 HB ILE 51 HB ILE 51 -2.719 1.954 1.146 497 1HG1 ILE 51 2HG1 ILE 51 -4.233 -0.599 1.687 498 2HG1 ILE 51 1HG1 ILE 51 -4.673 0.910 2.448 499 1HG2 ILE 51 1HG2 ILE 51 -2.415 0.131 -0.411 500 2HG2 ILE 51 2HG2 ILE 51 -1.999 -0.951 0.917 501 3HG2 ILE 51 3HG2 ILE 51 -0.952 0.416 0.531 502 1HD1 ILE 51 1HD1 ILE 51 -6.045 0.468 0.507 503 2HD1 ILE 51 2HD1 ILE 51 -4.600 0.417 -0.503 504 3HD1 ILE 51 3HD1 ILE 51 -5.073 1.922 0.286 505 H GLN 52 HN GLN 52 -2.199 3.355 2.404 506 HA GLN 52 HA GLN 52 0.652 3.721 2.257 507 1HB GLN 52 2HB GLN 52 0.108 6.083 1.788 508 2HB GLN 52 1HB GLN 52 -0.668 4.949 0.684 509 1HG GLN 52 2HG GLN 52 -2.754 5.181 2.015 510 2HG GLN 52 1HG GLN 52 -1.947 6.417 2.982 511 1HE2 GLN 52 1HE2 GLN 52 -3.384 8.032 2.339 512 2HE2 GLN 52 2HE2 GLN 52 -3.437 8.657 0.731 513 H GLU 53 HN GLU 53 -1.636 3.790 4.723 514 HA GLU 53 HA GLU 53 -0.436 5.743 6.427 515 1HB GLU 53 2HB GLU 53 -2.751 4.446 6.550 516 2HB GLU 53 1HB GLU 53 -1.814 3.291 7.479 517 1HG GLU 53 2HG GLU 53 -2.066 6.210 8.164 518 2HG GLU 53 1HG GLU 53 -3.084 4.942 8.834 519 H GLU 54 HN GLU 54 -0.199 2.266 6.000 520 HA GLU 54 HA GLU 54 1.991 1.788 7.690 521 1HB GLU 54 2HB GLU 54 0.679 0.395 5.398 522 2HB GLU 54 1HB GLU 54 2.282 -0.157 5.892 523 1HG GLU 54 2HG GLU 54 -0.149 0.038 7.667 524 2HG GLU 54 1HG GLU 54 0.493 -1.440 6.952 525 H ASN 55 HN ASN 55 1.791 2.543 4.221 526 HA ASN 55 HA ASN 55 4.701 2.652 4.054 527 1HB ASN 55 2HB ASN 55 3.154 1.607 2.298 528 2HB ASN 55 1HB ASN 55 2.772 3.254 1.822 529 1HD2 ASN 55 1HD2 ASN 55 3.994 1.268 0.210 530 2HD2 ASN 55 2HD2 ASN 55 5.575 1.821 -0.213 531 H ASN 56 HN ASN 56 3.221 4.591 5.608 532 HA ASN 56 HA ASN 56 4.066 7.039 4.286 533 1HB ASN 56 2HB ASN 56 1.788 6.839 5.362 534 2HB ASN 56 1HB ASN 56 2.601 6.697 6.914 535 1HD2 ASN 56 1HD2 ASN 56 0.706 8.684 6.168 536 2HD2 ASN 56 2HD2 ASN 56 1.502 10.218 6.230 537 H ARG 57 HN ARG 57 5.624 4.763 5.346 538 HA ARG 57 HA ARG 57 7.655 6.103 6.803 539 1HB ARG 57 2HB ARG 57 7.317 4.369 8.778 540 2HB ARG 57 1HB ARG 57 6.494 5.925 8.777 541 1HG ARG 57 2HG ARG 57 4.564 4.731 7.632 542 2HG ARG 57 1HG ARG 57 5.377 3.229 8.084 543 1HD ARG 57 2HD ARG 57 3.679 3.847 9.724 544 2HD ARG 57 1HD ARG 57 5.293 3.875 10.432 545 HE ARG 57 HE ARG 57 5.237 6.301 10.287 546 1HH1 ARG 57 1HH1 ARG 57 2.199 4.625 9.857 547 2HH1 ARG 57 2HH1 ARG 57 1.222 6.004 10.263 548 1HH2 ARG 57 1HH2 ARG 57 3.970 8.120 10.854 549 2HH2 ARG 57 2HH2 ARG 57 2.235 7.991 10.867 550 H ALA 58 HN ALA 58 6.542 2.714 7.060 551 HA ALA 58 HA ALA 58 8.397 1.737 5.121 552 1HB ALA 58 1HB ALA 58 9.921 0.565 6.609 553 2HB ALA 58 2HB ALA 58 9.107 1.254 8.014 554 3HB ALA 58 3HB ALA 58 9.987 2.303 6.902 555 H ALA 59 HN ALA 59 6.001 1.099 4.857 556 HA ALA 59 HA ALA 59 4.955 -1.046 6.384 557 1HB ALA 59 1HB ALA 59 3.380 -1.334 4.562 558 2HB ALA 59 2HB ALA 59 4.359 -0.284 3.536 559 3HB ALA 59 3HB ALA 59 3.568 0.371 4.971 560 H ALA 60 HN ALA 60 4.546 -3.208 5.671 561 HA ALA 60 HA ALA 60 6.786 -4.568 4.537 562 1HB ALA 60 1HB ALA 60 5.361 -5.570 6.268 563 2HB ALA 60 2HB ALA 60 5.436 -6.575 4.821 564 3HB ALA 60 3HB ALA 60 4.009 -5.587 5.137 565 H LEU 61 HN LEU 61 6.630 -6.014 2.656 566 HA LEU 61 HA LEU 61 5.084 -4.734 0.515 567 1HB LEU 61 2HB LEU 61 7.610 -6.370 0.360 568 2HB LEU 61 1HB LEU 61 6.781 -5.668 -1.016 569 HG LEU 61 HG LEU 61 8.066 -4.110 1.233 570 1HD1 LEU 61 1HD1 LEU 61 9.695 -3.445 -0.478 571 2HD1 LEU 61 2HD1 LEU 61 8.931 -4.551 -1.621 572 3HD1 LEU 61 3HD1 LEU 61 9.719 -5.183 -0.176 573 1HD2 LEU 61 1HD2 LEU 61 6.752 -3.179 -1.320 574 2HD2 LEU 61 2HD2 LEU 61 7.629 -2.153 -0.188 575 3HD2 LEU 61 3HD2 LEU 61 6.137 -2.947 0.316 576 H SER 62 HN SER 62 4.300 -6.900 2.380 577 HA SER 62 HA SER 62 2.697 -8.542 0.884 578 1HB SER 62 2HB SER 62 4.966 -9.363 -0.034 579 2HB SER 62 1HB SER 62 5.250 -10.031 1.574 580 HG SER 62 HG SER 62 3.678 -10.952 -0.458 581 H SER 63 HN SER 63 2.972 -10.939 2.449 582 HA SER 63 HA SER 63 2.422 -9.938 5.099 583 1HB SER 63 2HB SER 63 1.105 -11.832 4.114 584 2HB SER 63 1HB SER 63 2.568 -12.813 4.133 585 HG SER 63 HG SER 63 1.607 -13.336 5.996 586 H ASP 64 HN ASP 64 5.068 -10.175 3.472 587 HA ASP 64 HA ASP 64 6.712 -10.748 5.831 588 1HB ASP 64 2HB ASP 64 6.846 -12.715 4.299 589 2HB ASP 64 1HB ASP 64 7.388 -11.644 3.011 590 H VAL 65 HN VAL 65 7.828 -8.964 6.267 591 HA VAL 65 HA VAL 65 7.770 -6.767 4.477 592 HB VAL 65 HB VAL 65 9.638 -7.049 6.845 593 1HG1 VAL 65 1HG1 VAL 65 10.111 -5.143 5.444 594 2HG1 VAL 65 2HG1 VAL 65 9.399 -4.597 6.962 595 3HG1 VAL 65 3HG1 VAL 65 8.421 -4.641 5.496 596 1HG2 VAL 65 1HG2 VAL 65 7.899 -6.038 8.233 597 2HG2 VAL 65 2HG2 VAL 65 7.396 -7.603 7.596 598 3HG2 VAL 65 3HG2 VAL 65 6.768 -6.118 6.878 599 H ILE 66 HN ILE 66 10.684 -7.999 5.987 600 HA ILE 66 HA ILE 66 11.915 -8.775 3.459 601 HB ILE 66 HB ILE 66 13.459 -7.146 5.465 602 1HG1 ILE 66 2HG1 ILE 66 12.169 -6.039 2.958 603 2HG1 ILE 66 1HG1 ILE 66 11.627 -5.710 4.600 604 1HG2 ILE 66 1HG2 ILE 66 13.942 -7.815 2.562 605 2HG2 ILE 66 2HG2 ILE 66 14.782 -8.497 3.956 606 3HG2 ILE 66 3HG2 ILE 66 14.991 -6.794 3.546 607 1HD1 ILE 66 1HD1 ILE 66 14.293 -4.946 3.432 608 2HD1 ILE 66 2HD1 ILE 66 13.756 -4.612 5.079 609 3HD1 ILE 66 3HD1 ILE 66 12.927 -3.867 3.711 610 H SER 67 HN SER 67 10.687 -10.080 5.585 611 HA SER 67 HA SER 67 10.842 -11.609 7.242 612 1HB SER 67 2HB SER 67 12.842 -12.550 6.098 613 2HB SER 67 1HB SER 67 13.852 -11.385 6.952 614 HG SER 67 HG SER 67 13.314 -13.733 7.805 615 H ALA 68 HN ALA 68 12.128 -11.705 9.568 616 HA ALA 68 HA ALA 68 11.537 -9.083 10.668 617 1HB ALA 68 1HB ALA 68 12.310 -11.631 12.088 618 2HB ALA 68 2HB ALA 68 10.661 -11.096 11.769 619 3HB ALA 68 3HB ALA 68 11.699 -10.158 12.840 620 H LEU 69 HN LEU 69 13.032 -7.606 10.913 621 HA LEU 69 HA LEU 69 15.585 -8.056 12.009 622 1HB LEU 69 2HB LEU 69 16.784 -7.170 9.841 623 2HB LEU 69 1HB LEU 69 16.521 -8.879 10.105 624 HG LEU 69 HG LEU 69 14.460 -8.680 8.643 625 1HD1 LEU 69 1HD1 LEU 69 14.349 -6.786 7.112 626 2HD1 LEU 69 2HD1 LEU 69 15.689 -6.014 7.961 627 3HD1 LEU 69 3HD1 LEU 69 14.150 -6.264 8.784 628 1HD2 LEU 69 1HD2 LEU 69 17.141 -8.045 7.424 629 2HD2 LEU 69 2HD2 LEU 69 15.750 -8.714 6.567 630 3HD2 LEU 69 3HD2 LEU 69 16.535 -9.649 7.840 631 H SER 70 HN SER 70 13.183 -6.063 10.660 632 HA SER 70 HA SER 70 12.617 -3.902 11.011 633 1HB SER 70 2HB SER 70 14.758 -4.032 13.130 634 2HB SER 70 1HB SER 70 13.535 -2.767 12.984 635 HG SER 70 HG SER 70 12.517 -4.093 14.304 636 H SER 71 HN SER 71 14.955 -4.696 9.245 637 HA SER 71 HA SER 71 16.422 -3.724 7.817 638 1HB SER 71 2HB SER 71 15.157 -1.113 8.696 639 2HB SER 71 1HB SER 71 16.082 -1.388 7.220 640 HG SER 71 HG SER 71 13.486 -1.668 7.563 641 H GLN 72 HN GLN 72 16.849 -3.894 10.838 642 HA GLN 72 HA GLN 72 18.717 -1.718 11.315 643 1HB GLN 72 2HB GLN 72 17.747 -3.891 13.174 644 2HB GLN 72 1HB GLN 72 18.698 -2.484 13.632 645 1HG GLN 72 2HG GLN 72 16.792 -1.068 12.798 646 2HG GLN 72 1HG GLN 72 15.841 -2.559 12.667 647 1HE2 GLN 72 1HE2 GLN 72 17.444 -0.344 14.827 648 2HE2 GLN 72 2HE2 GLN 72 16.661 -0.878 16.275 649 H LYS 73 HN LYS 73 20.679 -2.056 10.523 650 HA LYS 73 HA LYS 73 21.909 -4.672 10.836 651 1HB LYS 73 2HB LYS 73 23.697 -3.805 9.386 652 2HB LYS 73 1HB LYS 73 22.110 -3.689 8.647 653 1HG LYS 73 2HG LYS 73 23.353 -1.342 10.026 654 2HG LYS 73 1HG LYS 73 23.704 -1.731 8.341 655 1HD LYS 73 2HD LYS 73 20.948 -1.284 9.470 656 2HD LYS 73 1HD LYS 73 21.889 -0.066 8.603 657 1HE LYS 73 2HE LYS 73 21.919 -1.523 6.627 658 2HE LYS 73 1HE LYS 73 20.971 -2.724 7.505 659 1HZ LYS 73 1HZ LYS 73 19.165 -1.148 7.669 660 2HZ LYS 73 2HZ LYS 73 19.600 -1.356 6.044 661 3HZ LYS 73 3HZ LYS 73 20.078 0.039 6.877 662 H LYS 74 HN LYS 74 22.785 -5.010 12.737 663 HA LYS 74 HA LYS 74 24.105 -2.751 14.083 664 1HB LYS 74 2HB LYS 74 22.855 -5.209 15.337 665 2HB LYS 74 1HB LYS 74 23.607 -3.875 16.205 666 1HG LYS 74 2HG LYS 74 21.893 -2.354 15.376 667 2HG LYS 74 1HG LYS 74 21.150 -3.678 14.475 668 1HD LYS 74 2HD LYS 74 19.924 -3.340 16.514 669 2HD LYS 74 1HD LYS 74 20.793 -4.872 16.617 670 1HE LYS 74 2HE LYS 74 22.542 -3.786 17.943 671 2HE LYS 74 1HE LYS 74 21.671 -2.255 17.837 672 1HZ LYS 74 1HZ LYS 74 20.661 -4.741 19.113 673 2HZ LYS 74 2HZ LYS 74 19.823 -3.267 19.020 674 3HZ LYS 74 3HZ LYS 74 21.249 -3.376 19.933 Start of MODEL 5 1 H HIS -9 H HIS -9 2.097 26.020 -9.611 2 HA HIS -9 HA HIS -9 0.580 24.179 -9.679 3 1HB HIS -9 2HB HIS -9 0.293 25.916 -11.358 4 2HB HIS -9 1HB HIS -9 1.471 25.137 -12.407 5 HD1 HIS -9 1HD HIS -9 0.532 23.631 -14.135 6 HD2 HIS -9 2HD HIS -9 -2.097 24.180 -10.954 7 HE1 HIS -9 1HE HIS -9 -1.580 22.422 -14.776 8 HE2 HIS -9 2HE HIS -9 -3.086 22.615 -12.768 9 H SER -8 HN SER -8 3.581 23.571 -11.436 10 HA SER -8 HA SER -8 2.737 20.921 -12.206 11 1HB SER -8 2HB SER -8 5.448 22.255 -12.412 12 2HB SER -8 1HB SER -8 4.978 20.747 -13.197 13 HG SER -8 HG SER -8 4.452 22.070 -14.764 14 H SER -7 HN SER -7 2.382 20.877 -9.607 15 HA SER -7 HA SER -7 4.727 20.108 -8.119 16 1HB SER -7 2HB SER -7 1.794 19.901 -7.378 17 2HB SER -7 1HB SER -7 3.157 19.748 -6.270 18 HG SER -7 HG SER -7 3.726 21.935 -6.921 19 H GLY -6 HN GLY -6 3.353 18.523 -10.498 20 1HA GLY -6 2HA GLY -6 2.987 15.918 -9.318 21 2HA GLY -6 1HA GLY -6 3.022 16.294 -11.037 22 H HIS -5 HN HIS -5 5.614 17.533 -9.243 23 HA HIS -5 HA HIS -5 7.566 15.932 -10.550 24 1HB HIS -5 2HB HIS -5 8.113 18.197 -9.956 25 2HB HIS -5 1HB HIS -5 7.701 17.925 -8.271 26 HD1 HIS -5 1HD HIS -5 10.437 17.509 -10.766 27 HD2 HIS -5 2HD HIS -5 9.689 16.585 -6.783 28 HE1 HIS -5 1HE HIS -5 12.667 16.880 -9.783 29 HE2 HIS -5 2HE HIS -5 12.159 16.139 -7.427 30 H ILE -4 HN ILE -4 7.899 13.857 -10.048 31 HA ILE -4 HA ILE -4 7.064 12.838 -7.499 32 HB ILE -4 HB ILE -4 6.718 11.497 -9.503 33 1HG1 ILE -4 2HG1 ILE -4 7.581 9.358 -8.640 34 2HG1 ILE -4 1HG1 ILE -4 8.653 10.239 -7.555 35 1HG2 ILE -4 1HG2 ILE -4 9.717 11.297 -9.663 36 2HG2 ILE -4 2HG2 ILE -4 8.659 12.122 -10.806 37 3HG2 ILE -4 3HG2 ILE -4 8.573 10.368 -10.632 38 1HD1 ILE -4 1HD1 ILE -4 6.690 9.461 -6.383 39 2HD1 ILE -4 2HD1 ILE -4 5.647 10.310 -7.523 40 3HD1 ILE -4 3HD1 ILE -4 6.709 11.223 -6.449 41 H GLU -3 HN GLU -3 8.247 13.355 -5.795 42 HA GLU -3 HA GLU -3 11.159 13.042 -5.953 43 1HB GLU -3 2HB GLU -3 11.226 14.540 -4.001 44 2HB GLU -3 1HB GLU -3 10.451 15.274 -5.396 45 1HG GLU -3 2HG GLU -3 8.272 14.904 -4.445 46 2HG GLU -3 1HG GLU -3 8.984 14.040 -3.083 47 H GLY -2 HN GLY -2 8.790 11.170 -5.251 48 1HA GLY -2 2HA GLY -2 9.822 9.175 -3.900 49 2HA GLY -2 1HA GLY -2 9.622 10.314 -2.573 50 H ARG -1 HN ARG -1 8.075 8.078 -4.677 51 HA ARG -1 HA ARG -1 5.457 8.713 -3.475 52 1HB ARG -1 2HB ARG -1 4.404 7.626 -5.281 53 2HB ARG -1 1HB ARG -1 5.705 8.549 -6.022 54 1HG ARG -1 2HG ARG -1 7.057 6.578 -6.239 55 2HG ARG -1 1HG ARG -1 5.881 5.626 -5.326 56 1HD ARG -1 2HD ARG -1 4.212 6.065 -7.095 57 2HD ARG -1 1HD ARG -1 5.453 6.912 -8.022 58 HE ARG -1 HE ARG -1 6.447 4.382 -7.411 59 1HH1 ARG -1 1HH1 ARG -1 3.803 5.758 -9.248 60 2HH1 ARG -1 2HH1 ARG -1 3.781 4.479 -10.425 61 1HH2 ARG -1 1HH2 ARG -1 6.419 2.686 -8.944 62 2HH2 ARG -1 2HH2 ARG -1 5.262 2.735 -10.251 63 H HIS 0 HN HIS 0 4.094 6.803 -2.959 64 HA HIS 0 HA HIS 0 5.648 4.377 -2.508 65 1HB HIS 0 2HB HIS 0 4.344 3.953 -0.400 66 2HB HIS 0 1HB HIS 0 5.523 5.254 -0.301 67 HD1 HIS 0 1HD HIS 0 4.659 7.180 0.947 68 HD2 HIS 0 2HD HIS 0 1.631 5.175 -1.052 69 HE1 HIS 0 1HE HIS 0 2.552 8.450 1.460 70 HE2 HIS 0 2HE HIS 0 0.713 7.078 0.425 71 H MET 1 HN MET 1 4.826 2.947 -3.840 72 HA MET 1 HA MET 1 1.899 2.698 -3.942 73 1HB MET 1 2HB MET 1 2.933 2.783 -6.151 74 2HB MET 1 1HB MET 1 4.018 1.475 -5.727 75 1HG MET 1 2HG MET 1 2.036 -0.001 -5.447 76 2HG MET 1 1HG MET 1 1.036 1.313 -6.056 77 1HE MET 1 1HE MET 1 2.951 2.578 -8.297 78 2HE MET 1 2HE MET 1 1.223 2.292 -8.521 79 3HE MET 1 3HE MET 1 2.378 1.711 -9.723 80 H LEU 2 HN LEU 2 1.311 1.545 -2.190 81 HA LEU 2 HA LEU 2 3.071 -0.656 -1.393 82 1HB LEU 2 2HB LEU 2 2.424 1.120 0.322 83 2HB LEU 2 1HB LEU 2 0.792 0.484 0.223 84 HG LEU 2 HG LEU 2 2.398 -0.314 2.128 85 1HD1 LEU 2 1HD1 LEU 2 0.156 -1.188 1.791 86 2HD1 LEU 2 2HD1 LEU 2 1.281 -2.480 2.208 87 3HD1 LEU 2 3HD1 LEU 2 0.755 -2.274 0.538 88 1HD2 LEU 2 1HD2 LEU 2 4.246 -0.961 0.674 89 2HD2 LEU 2 2HD2 LEU 2 3.212 -2.142 -0.130 90 3HD2 LEU 2 3HD2 LEU 2 3.627 -2.347 1.571 91 H VAL 3 HN VAL 3 2.557 -2.570 -1.941 92 HA VAL 3 HA VAL 3 0.009 -3.166 -3.052 93 HB VAL 3 HB VAL 3 1.126 -5.499 -3.203 94 1HG1 VAL 3 1HG1 VAL 3 0.744 -4.058 -5.122 95 2HG1 VAL 3 2HG1 VAL 3 2.339 -4.803 -5.231 96 3HG1 VAL 3 3HG1 VAL 3 2.186 -3.122 -4.724 97 1HG2 VAL 3 1HG2 VAL 3 3.576 -5.416 -3.218 98 2HG2 VAL 3 2HG2 VAL 3 2.918 -5.077 -1.618 99 3HG2 VAL 3 3HG2 VAL 3 3.510 -3.758 -2.626 100 H LEU 4 HN LEU 4 -1.613 -4.140 -2.128 101 HA LEU 4 HA LEU 4 -1.302 -5.193 0.592 102 1HB LEU 4 2HB LEU 4 -2.966 -3.274 -0.142 103 2HB LEU 4 1HB LEU 4 -3.953 -4.635 -0.614 104 HG LEU 4 HG LEU 4 -4.286 -3.586 1.732 105 1HD1 LEU 4 1HD1 LEU 4 -4.887 -5.776 2.666 106 2HD1 LEU 4 2HD1 LEU 4 -3.958 -6.574 1.395 107 3HD1 LEU 4 3HD1 LEU 4 -5.392 -5.632 0.982 108 1HD2 LEU 4 1HD2 LEU 4 -2.910 -4.432 3.492 109 2HD2 LEU 4 2HD2 LEU 4 -1.863 -3.652 2.307 110 3HD2 LEU 4 3HD2 LEU 4 -1.974 -5.413 2.367 111 H SER 5 HN SER 5 -1.914 -7.367 0.914 112 HA SER 5 HA SER 5 -2.003 -8.802 -1.594 113 1HB SER 5 2HB SER 5 -1.717 -9.882 1.219 114 2HB SER 5 1HB SER 5 -1.437 -10.776 -0.275 115 HG SER 5 HG SER 5 0.291 -9.319 1.092 116 H ARG 6 HN ARG 6 -3.916 -9.157 -2.467 117 HA ARG 6 HA ARG 6 -6.077 -10.185 -0.807 118 1HB ARG 6 2HB ARG 6 -6.430 -7.760 -0.742 119 2HB ARG 6 1HB ARG 6 -6.308 -7.671 -2.488 120 1HG ARG 6 2HG ARG 6 -8.606 -7.506 -1.871 121 2HG ARG 6 1HG ARG 6 -8.350 -9.062 -2.660 122 1HD ARG 6 2HD ARG 6 -9.765 -9.411 -0.760 123 2HD ARG 6 1HD ARG 6 -8.186 -10.109 -0.404 124 HE ARG 6 HE ARG 6 -7.775 -8.313 1.098 125 1HH1 ARG 6 1HH1 ARG 6 -10.997 -8.260 -0.263 126 2HH1 ARG 6 2HH1 ARG 6 -11.669 -7.320 1.030 127 1HH2 ARG 6 1HH2 ARG 6 -8.661 -7.095 2.827 128 2HH2 ARG 6 2HH2 ARG 6 -10.351 -6.675 2.793 129 H LYS 7 HN LYS 7 -6.818 -11.897 -1.829 130 HA LYS 7 HA LYS 7 -5.909 -12.289 -4.573 131 1HB LYS 7 2HB LYS 7 -6.703 -14.123 -2.340 132 2HB LYS 7 1HB LYS 7 -6.700 -14.716 -3.995 133 1HG LYS 7 2HG LYS 7 -4.564 -15.217 -3.629 134 2HG LYS 7 1HG LYS 7 -4.252 -13.501 -3.810 135 1HD LYS 7 2HD LYS 7 -4.927 -14.731 -1.156 136 2HD LYS 7 1HD LYS 7 -3.276 -14.688 -1.771 137 1HE LYS 7 2HE LYS 7 -3.397 -12.241 -1.926 138 2HE LYS 7 1HE LYS 7 -5.056 -12.305 -1.329 139 1HZ LYS 7 1HZ LYS 7 -2.658 -13.218 0.175 140 2HZ LYS 7 2HZ LYS 7 -4.257 -13.257 0.745 141 3HZ LYS 7 3HZ LYS 7 -3.501 -11.776 0.449 142 H ILE 8 HN ILE 8 -7.969 -10.564 -4.405 143 HA ILE 8 HA ILE 8 -10.261 -12.096 -5.458 144 HB ILE 8 HB ILE 8 -10.429 -9.385 -4.134 145 1HG1 ILE 8 2HG1 ILE 8 -9.623 -11.149 -2.548 146 2HG1 ILE 8 1HG1 ILE 8 -11.189 -10.460 -2.112 147 1HG2 ILE 8 1HG2 ILE 8 -12.824 -9.896 -3.993 148 2HG2 ILE 8 2HG2 ILE 8 -12.543 -11.421 -4.833 149 3HG2 ILE 8 3HG2 ILE 8 -12.249 -9.892 -5.661 150 1HD1 ILE 8 1HD1 ILE 8 -12.297 -12.429 -3.061 151 2HD1 ILE 8 2HD1 ILE 8 -11.171 -12.854 -1.773 152 3HD1 ILE 8 3HD1 ILE 8 -10.721 -13.111 -3.459 153 H ASN 9 HN ASN 9 -7.957 -9.599 -5.877 154 HA ASN 9 HA ASN 9 -7.438 -8.119 -7.511 155 1HB ASN 9 2HB ASN 9 -9.388 -9.650 -9.236 156 2HB ASN 9 1HB ASN 9 -8.169 -8.522 -9.797 157 1HD2 ASN 9 1HD2 ASN 9 -8.766 -11.726 -8.634 158 2HD2 ASN 9 2HD2 ASN 9 -7.183 -12.351 -8.951 159 H GLU 10 HN GLU 10 -9.913 -7.936 -5.773 160 HA GLU 10 HA GLU 10 -11.794 -6.322 -7.145 161 1HB GLU 10 2HB GLU 10 -12.538 -5.690 -4.849 162 2HB GLU 10 1HB GLU 10 -12.426 -7.429 -5.090 163 1HG GLU 10 2HG GLU 10 -10.276 -7.457 -3.932 164 2HG GLU 10 1HG GLU 10 -10.373 -5.715 -3.704 165 H ALA 11 HN ALA 11 -12.178 -4.001 -6.139 166 HA ALA 11 HA ALA 11 -9.612 -2.583 -6.421 167 1HB ALA 11 1HB ALA 11 -10.933 -0.664 -7.193 168 2HB ALA 11 2HB ALA 11 -12.416 -1.599 -6.985 169 3HB ALA 11 3HB ALA 11 -11.229 -2.087 -8.194 170 H ILE 12 HN ILE 12 -9.189 -0.843 -5.000 171 HA ILE 12 HA ILE 12 -10.721 -1.056 -2.506 172 HB ILE 12 HB ILE 12 -7.950 0.101 -2.842 173 1HG1 ILE 12 2HG1 ILE 12 -7.949 -2.288 -3.430 174 2HG1 ILE 12 1HG1 ILE 12 -7.097 -1.994 -1.920 175 1HG2 ILE 12 1HG2 ILE 12 -9.135 0.900 -0.880 176 2HG2 ILE 12 2HG2 ILE 12 -7.825 -0.183 -0.408 177 3HG2 ILE 12 3HG2 ILE 12 -9.493 -0.758 -0.398 178 1HD1 ILE 12 1HD1 ILE 12 -9.045 -2.766 -0.666 179 2HD1 ILE 12 2HD1 ILE 12 -8.451 -3.998 -1.782 180 3HD1 ILE 12 3HD1 ILE 12 -9.896 -3.068 -2.183 181 H GLN 13 HN GLN 13 -12.207 0.444 -2.420 182 HA GLN 13 HA GLN 13 -11.489 3.217 -3.105 183 1HB GLN 13 2HB GLN 13 -13.257 2.367 -4.562 184 2HB GLN 13 1HB GLN 13 -14.184 1.830 -3.171 185 1HG GLN 13 2HG GLN 13 -15.165 3.829 -4.000 186 2HG GLN 13 1HG GLN 13 -14.391 4.194 -2.461 187 1HE2 GLN 13 1HE2 GLN 13 -12.584 5.503 -2.421 188 2HE2 GLN 13 2HE2 GLN 13 -12.093 6.463 -3.777 189 H ILE 14 HN ILE 14 -10.839 3.984 -1.159 190 HA ILE 14 HA ILE 14 -12.638 3.478 1.107 191 HB ILE 14 HB ILE 14 -10.719 3.737 2.636 192 1HG1 ILE 14 2HG1 ILE 14 -9.280 4.931 0.848 193 2HG1 ILE 14 1HG1 ILE 14 -8.490 3.821 1.957 194 1HG2 ILE 14 1HG2 ILE 14 -9.812 1.502 2.259 195 2HG2 ILE 14 2HG2 ILE 14 -10.500 1.502 0.635 196 3HG2 ILE 14 3HG2 ILE 14 -11.561 1.553 2.041 197 1HD1 ILE 14 1HD1 ILE 14 -8.510 2.097 0.220 198 2HD1 ILE 14 2HD1 ILE 14 -7.644 3.548 -0.283 199 3HD1 ILE 14 3HD1 ILE 14 -9.270 3.239 -0.887 200 H GLY 15 HN GLY 15 -13.724 5.143 1.707 201 1HA GLY 15 2HA GLY 15 -14.205 7.204 2.565 202 2HA GLY 15 1HA GLY 15 -12.493 7.323 2.925 203 H ALA 16 HN ALA 16 -13.393 6.953 -0.370 204 HA ALA 16 HA ALA 16 -13.286 8.287 -2.183 205 1HB ALA 16 1HB ALA 16 -14.224 10.512 -2.044 206 2HB ALA 16 2HB ALA 16 -14.083 10.486 -0.285 207 3HB ALA 16 3HB ALA 16 -15.191 9.380 -1.098 208 H ASP 17 HN ASP 17 -10.883 8.124 -0.232 209 HA ASP 17 HA ASP 17 -9.441 10.452 -1.315 210 1HB ASP 17 2HB ASP 17 -9.162 10.142 1.103 211 2HB ASP 17 1HB ASP 17 -8.562 8.507 0.835 212 H ILE 18 HN ILE 18 -9.299 6.932 -1.075 213 HA ILE 18 HA ILE 18 -7.380 6.948 -3.303 214 HB ILE 18 HB ILE 18 -7.409 5.155 -0.872 215 1HG1 ILE 18 2HG1 ILE 18 -6.287 7.312 -0.576 216 2HG1 ILE 18 1HG1 ILE 18 -5.123 5.993 -0.555 217 1HG2 ILE 18 1HG2 ILE 18 -5.541 3.934 -1.887 218 2HG2 ILE 18 2HG2 ILE 18 -5.718 4.884 -3.362 219 3HG2 ILE 18 3HG2 ILE 18 -7.007 3.791 -2.855 220 1HD1 ILE 18 1HD1 ILE 18 -5.669 7.839 -2.870 221 2HD1 ILE 18 2HD1 ILE 18 -4.518 6.504 -2.871 222 3HD1 ILE 18 3HD1 ILE 18 -4.265 7.883 -1.801 223 H GLU 19 HN GLU 19 -8.064 5.942 -5.051 224 HA GLU 19 HA GLU 19 -9.659 3.504 -4.786 225 1HB GLU 19 2HB GLU 19 -11.002 4.152 -6.773 226 2HB GLU 19 1HB GLU 19 -11.283 5.201 -5.392 227 1HG GLU 19 2HG GLU 19 -9.992 6.950 -6.359 228 2HG GLU 19 1HG GLU 19 -9.413 5.891 -7.642 229 H VAL 20 HN VAL 20 -8.601 1.868 -5.792 230 HA VAL 20 HA VAL 20 -7.480 1.934 -8.327 231 HB VAL 20 HB VAL 20 -5.890 3.580 -7.463 232 1HG1 VAL 20 1HG1 VAL 20 -4.265 3.008 -5.733 233 2HG1 VAL 20 2HG1 VAL 20 -5.064 1.456 -5.489 234 3HG1 VAL 20 3HG1 VAL 20 -5.915 2.955 -5.110 235 1HG2 VAL 20 1HG2 VAL 20 -3.800 2.478 -8.087 236 2HG2 VAL 20 2HG2 VAL 20 -5.110 2.043 -9.186 237 3HG2 VAL 20 3HG2 VAL 20 -4.584 0.905 -7.947 238 H LYS 21 HN LYS 21 -7.084 -0.131 -8.949 239 HA LYS 21 HA LYS 21 -5.783 -1.865 -6.996 240 1HB LYS 21 2HB LYS 21 -6.924 -3.840 -8.171 241 2HB LYS 21 1HB LYS 21 -7.836 -2.927 -6.987 242 1HG LYS 21 2HG LYS 21 -9.376 -3.269 -8.648 243 2HG LYS 21 1HG LYS 21 -8.772 -1.655 -9.045 244 1HD LYS 21 2HD LYS 21 -7.350 -2.584 -10.763 245 2HD LYS 21 1HD LYS 21 -7.786 -4.225 -10.287 246 1HE LYS 21 2HE LYS 21 -9.013 -3.637 -12.264 247 2HE LYS 21 1HE LYS 21 -10.130 -3.735 -10.905 248 1HZ LYS 21 1HZ LYS 21 -10.349 -1.784 -12.501 249 2HZ LYS 21 2HZ LYS 21 -8.968 -1.148 -11.743 250 3HZ LYS 21 3HZ LYS 21 -10.377 -1.440 -10.843 251 H VAL 22 HN VAL 22 -3.769 -1.615 -7.723 252 HA VAL 22 HA VAL 22 -3.302 -2.410 -10.508 253 HB VAL 22 HB VAL 22 -0.938 -1.710 -10.187 254 1HG1 VAL 22 1HG1 VAL 22 -2.998 0.404 -9.586 255 2HG1 VAL 22 2HG1 VAL 22 -2.536 -0.185 -11.183 256 3HG1 VAL 22 3HG1 VAL 22 -1.372 0.700 -10.200 257 1HG2 VAL 22 1HG2 VAL 22 -1.900 -0.653 -7.529 258 2HG2 VAL 22 2HG2 VAL 22 -0.326 -0.334 -8.260 259 3HG2 VAL 22 3HG2 VAL 22 -0.756 -1.974 -7.769 260 H ILE 23 HN ILE 23 -3.068 -4.461 -10.816 261 HA ILE 23 HA ILE 23 -2.489 -6.149 -8.515 262 HB ILE 23 HB ILE 23 -3.580 -6.826 -11.244 263 1HG1 ILE 23 2HG1 ILE 23 -5.027 -5.435 -9.694 264 2HG1 ILE 23 1HG1 ILE 23 -5.729 -6.978 -10.184 265 1HG2 ILE 23 1HG2 ILE 23 -2.354 -8.706 -10.283 266 2HG2 ILE 23 2HG2 ILE 23 -4.091 -9.025 -10.319 267 3HG2 ILE 23 3HG2 ILE 23 -3.308 -8.573 -8.804 268 1HD1 ILE 23 1HD1 ILE 23 -6.123 -6.527 -7.837 269 2HD1 ILE 23 2HD1 ILE 23 -4.387 -6.391 -7.553 270 3HD1 ILE 23 3HD1 ILE 23 -5.086 -7.941 -8.032 271 H ALA 24 HN ALA 24 -0.705 -7.248 -8.276 272 HA ALA 24 HA ALA 24 1.124 -7.552 -10.561 273 1HB ALA 24 1HB ALA 24 1.904 -6.909 -7.715 274 2HB ALA 24 2HB ALA 24 1.935 -5.780 -9.069 275 3HB ALA 24 3HB ALA 24 3.011 -7.176 -9.061 276 H VAL 25 HN VAL 25 2.569 -9.406 -10.372 277 HA VAL 25 HA VAL 25 1.192 -11.597 -9.046 278 HB VAL 25 HB VAL 25 1.745 -11.984 -11.355 279 1HG1 VAL 25 1HG1 VAL 25 4.626 -11.544 -10.596 280 2HG1 VAL 25 2HG1 VAL 25 3.641 -10.500 -11.620 281 3HG1 VAL 25 3HG1 VAL 25 4.060 -12.127 -12.159 282 1HG2 VAL 25 1HG2 VAL 25 3.484 -13.637 -9.532 283 2HG2 VAL 25 2HG2 VAL 25 2.984 -14.093 -11.161 284 3HG2 VAL 25 3HG2 VAL 25 1.778 -13.910 -9.886 285 H GLU 26 HN GLU 26 1.677 -12.062 -7.097 286 HA GLU 26 HA GLU 26 4.237 -11.353 -5.908 287 1HB GLU 26 2HB GLU 26 1.937 -10.925 -4.880 288 2HB GLU 26 1HB GLU 26 1.825 -12.667 -4.647 289 1HG GLU 26 2HG GLU 26 2.465 -11.656 -2.595 290 2HG GLU 26 1HG GLU 26 3.848 -12.555 -3.223 291 H GLY 27 HN GLY 27 4.528 -13.328 -7.808 292 1HA GLY 27 2HA GLY 27 5.590 -15.391 -7.980 293 2HA GLY 27 1HA GLY 27 5.315 -15.648 -6.262 294 H ASP 28 HN ASP 28 3.160 -16.247 -5.573 295 HA ASP 28 HA ASP 28 1.461 -17.303 -7.718 296 1HB ASP 28 2HB ASP 28 2.803 -19.136 -6.628 297 2HB ASP 28 1HB ASP 28 1.992 -18.756 -5.115 298 H GLN 29 HN GLN 29 1.627 -14.995 -5.755 299 HA GLN 29 HA GLN 29 -1.108 -15.226 -4.699 300 1HB GLN 29 2HB GLN 29 0.406 -14.951 -2.867 301 2HB GLN 29 1HB GLN 29 1.295 -13.702 -3.722 302 1HG GLN 29 2HG GLN 29 -0.223 -12.072 -3.244 303 2HG GLN 29 1HG GLN 29 -1.562 -13.212 -3.065 304 1HE2 GLN 29 1HE2 GLN 29 1.200 -11.759 -1.554 305 2HE2 GLN 29 2HE2 GLN 29 0.820 -12.238 0.063 306 H VAL 30 HN VAL 30 -2.552 -13.598 -5.199 307 HA VAL 30 HA VAL 30 -1.511 -11.576 -7.041 308 HB VAL 30 HB VAL 30 -3.854 -11.260 -7.838 309 1HG1 VAL 30 1HG1 VAL 30 -3.987 -13.387 -9.115 310 2HG1 VAL 30 2HG1 VAL 30 -2.706 -14.037 -8.093 311 3HG1 VAL 30 3HG1 VAL 30 -2.385 -12.653 -9.136 312 1HG2 VAL 30 1HG2 VAL 30 -4.429 -13.700 -6.160 313 2HG2 VAL 30 2HG2 VAL 30 -5.537 -12.962 -7.317 314 3HG2 VAL 30 3HG2 VAL 30 -5.044 -12.070 -5.878 315 H LYS 31 HN LYS 31 -1.439 -9.583 -6.427 316 HA LYS 31 HA LYS 31 -3.112 -8.730 -4.193 317 1HB LYS 31 2HB LYS 31 -1.267 -7.910 -2.954 318 2HB LYS 31 1HB LYS 31 -0.851 -9.550 -3.439 319 1HG LYS 31 2HG LYS 31 0.452 -8.570 -5.329 320 2HG LYS 31 1HG LYS 31 0.127 -6.968 -4.658 321 1HD LYS 31 2HD LYS 31 1.716 -9.216 -3.441 322 2HD LYS 31 1HD LYS 31 2.268 -7.597 -3.873 323 1HE LYS 31 2HE LYS 31 0.825 -6.651 -2.135 324 2HE LYS 31 1HE LYS 31 0.287 -8.275 -1.703 325 1HZ LYS 31 1HZ LYS 31 2.839 -8.671 -1.430 326 2HZ LYS 31 2HZ LYS 31 1.940 -7.944 -0.189 327 3HZ LYS 31 3HZ LYS 31 2.879 -6.987 -1.218 328 H LEU 32 HN LEU 32 -3.544 -6.535 -4.129 329 HA LEU 32 HA LEU 32 -2.938 -5.060 -6.594 330 1HB LEU 32 2HB LEU 32 -4.757 -3.549 -5.864 331 2HB LEU 32 1HB LEU 32 -5.306 -5.192 -6.115 332 HG LEU 32 HG LEU 32 -4.837 -5.328 -3.490 333 1HD1 LEU 32 1HD1 LEU 32 -5.530 -2.435 -3.940 334 2HD1 LEU 32 2HD1 LEU 32 -4.019 -3.058 -3.278 335 3HD1 LEU 32 3HD1 LEU 32 -5.525 -3.264 -2.384 336 1HD2 LEU 32 1HD2 LEU 32 -6.939 -5.862 -4.565 337 2HD2 LEU 32 2HD2 LEU 32 -7.303 -4.146 -4.751 338 3HD2 LEU 32 3HD2 LEU 32 -7.216 -4.860 -3.140 339 H GLY 33 HN GLY 33 -2.459 -2.686 -6.272 340 1HA GLY 33 2HA GLY 33 -1.283 -2.185 -3.621 341 2HA GLY 33 1HA GLY 33 -0.399 -1.784 -5.087 342 H ILE 34 HN ILE 34 -1.651 -0.223 -2.737 343 HA ILE 34 HA ILE 34 -3.180 1.654 -4.343 344 HB ILE 34 HB ILE 34 -3.656 2.925 -2.396 345 1HG1 ILE 34 2HG1 ILE 34 -2.043 1.105 -0.641 346 2HG1 ILE 34 1HG1 ILE 34 -1.280 2.491 -1.423 347 1HG2 ILE 34 1HG2 ILE 34 -4.775 1.255 -0.981 348 2HG2 ILE 34 2HG2 ILE 34 -3.866 -0.019 -1.795 349 3HG2 ILE 34 3HG2 ILE 34 -5.019 0.961 -2.702 350 1HD1 ILE 34 1HD1 ILE 34 -3.651 2.580 0.428 351 2HD1 ILE 34 2HD1 ILE 34 -2.901 3.971 -0.355 352 3HD1 ILE 34 3HD1 ILE 34 -1.996 3.033 0.832 353 H ASP 35 HN ASP 35 -2.216 3.324 -5.358 354 HA ASP 35 HA ASP 35 0.493 4.050 -4.467 355 1HB ASP 35 2HB ASP 35 0.845 3.161 -6.589 356 2HB ASP 35 1HB ASP 35 -0.652 3.811 -7.232 357 H ALA 36 HN ALA 36 0.810 6.021 -3.786 358 HA ALA 36 HA ALA 36 -1.031 8.153 -4.600 359 1HB ALA 36 1HB ALA 36 -1.247 8.902 -2.278 360 2HB ALA 36 2HB ALA 36 -0.313 7.507 -1.743 361 3HB ALA 36 3HB ALA 36 -1.888 7.275 -2.496 362 HA PRO 37 HA PRO 37 2.716 10.442 -5.038 363 1HB PRO 37 2HB PRO 37 1.756 12.962 -4.933 364 2HB PRO 37 1HB PRO 37 1.429 11.881 -6.293 365 1HG PRO 37 2HG PRO 37 -0.308 12.520 -3.928 366 2HG PRO 37 1HG PRO 37 -0.745 12.452 -5.648 367 1HD PRO 37 2HD PRO 37 -1.248 10.414 -3.954 368 2HD PRO 37 1HD PRO 37 -0.839 10.149 -5.662 369 H LYS 38 HN LYS 38 2.258 9.521 -2.367 370 HA LYS 38 HA LYS 38 3.063 9.791 -0.271 371 1HB LYS 38 2HB LYS 38 5.073 10.423 -1.651 372 2HB LYS 38 1HB LYS 38 4.639 12.105 -1.393 373 1HG LYS 38 2HG LYS 38 6.414 11.255 0.104 374 2HG LYS 38 1HG LYS 38 5.011 11.908 0.949 375 1HD LYS 38 2HD LYS 38 4.304 9.825 1.677 376 2HD LYS 38 1HD LYS 38 5.123 8.973 0.367 377 1HE LYS 38 2HE LYS 38 6.234 8.617 2.519 378 2HE LYS 38 1HE LYS 38 7.279 9.435 1.356 379 1HZ LYS 38 1HZ LYS 38 5.690 10.960 3.335 380 2HZ LYS 38 2HZ LYS 38 7.066 11.453 2.470 381 3HZ LYS 38 3HZ LYS 38 7.211 10.331 3.725 382 H HIS 39 HN HIS 39 0.733 11.442 -1.279 383 HA HIS 39 HA HIS 39 0.537 13.769 0.299 384 1HB HIS 39 2HB HIS 39 -1.798 13.710 -0.178 385 2HB HIS 39 1HB HIS 39 -1.043 12.971 -1.583 386 HD1 HIS 39 1HD HIS 39 -0.631 10.219 0.148 387 HD2 HIS 39 2HD HIS 39 -4.184 12.207 -0.656 388 HE1 HIS 39 1HE HIS 39 -2.409 8.540 0.538 389 HE2 HIS 39 2HE HIS 39 -4.600 9.782 0.181 390 H ILE 40 HN ILE 40 -1.319 13.743 2.100 391 HA ILE 40 HA ILE 40 -0.594 11.771 4.096 392 HB ILE 40 HB ILE 40 -1.910 13.025 5.667 393 1HG1 ILE 40 2HG1 ILE 40 -3.718 13.532 3.900 394 2HG1 ILE 40 1HG1 ILE 40 -3.439 14.726 5.167 395 1HG2 ILE 40 1HG2 ILE 40 -0.824 15.218 5.598 396 2HG2 ILE 40 2HG2 ILE 40 -0.344 14.919 3.928 397 3HG2 ILE 40 3HG2 ILE 40 0.300 13.912 5.224 398 1HD1 ILE 40 1HD1 ILE 40 -2.538 14.852 2.298 399 2HD1 ILE 40 2HD1 ILE 40 -2.028 15.991 3.541 400 3HD1 ILE 40 3HD1 ILE 40 -3.731 15.872 3.099 401 H ASP 41 HN ASP 41 -2.057 10.214 4.843 402 HA ASP 41 HA ASP 41 -4.224 9.734 2.972 403 1HB ASP 41 2HB ASP 41 -4.349 7.489 4.264 404 2HB ASP 41 1HB ASP 41 -3.000 7.808 3.170 405 H ILE 42 HN ILE 42 -6.192 10.200 3.340 406 HA ILE 42 HA ILE 42 -6.956 11.449 5.815 407 HB ILE 42 HB ILE 42 -8.696 10.767 3.432 408 1HG1 ILE 42 2HG1 ILE 42 -7.080 13.272 3.949 409 2HG1 ILE 42 1HG1 ILE 42 -6.728 12.055 2.724 410 1HG2 ILE 42 1HG2 ILE 42 -9.008 12.882 5.563 411 2HG2 ILE 42 2HG2 ILE 42 -9.931 11.381 5.450 412 3HG2 ILE 42 3HG2 ILE 42 -10.093 12.613 4.197 413 1HD1 ILE 42 1HD1 ILE 42 -7.789 13.991 1.734 414 2HD1 ILE 42 2HD1 ILE 42 -9.163 13.818 2.826 415 3HD1 ILE 42 3HD1 ILE 42 -8.842 12.580 1.612 416 H HIS 43 HN HIS 43 -8.477 10.686 7.310 417 HA HIS 43 HA HIS 43 -9.524 7.984 6.831 418 1HB HIS 43 2HB HIS 43 -8.356 8.723 9.512 419 2HB HIS 43 1HB HIS 43 -8.887 7.137 8.946 420 HD1 HIS 43 1HD HIS 43 -5.897 8.678 9.771 421 HD2 HIS 43 2HD HIS 43 -7.137 6.619 6.378 422 HE1 HIS 43 1HE HIS 43 -3.798 7.851 8.645 423 HE2 HIS 43 2HE HIS 43 -4.561 6.859 6.493 424 H ARG 44 HN ARG 44 -11.194 7.413 8.546 425 HA ARG 44 HA ARG 44 -12.972 9.731 8.736 426 1HB ARG 44 2HB ARG 44 -13.821 7.662 7.683 427 2HB ARG 44 1HB ARG 44 -13.559 6.799 9.192 428 1HG ARG 44 2HG ARG 44 -15.197 8.192 10.307 429 2HG ARG 44 1HG ARG 44 -15.437 9.123 8.827 430 1HD ARG 44 2HD ARG 44 -17.218 7.526 9.029 431 2HD ARG 44 1HD ARG 44 -16.169 7.042 7.699 432 HE ARG 44 HE ARG 44 -15.189 5.639 9.804 433 1HH1 ARG 44 1HH1 ARG 44 -18.358 5.983 8.352 434 2HH1 ARG 44 2HH1 ARG 44 -18.917 4.419 8.880 435 1HH2 ARG 44 1HH2 ARG 44 -15.905 3.571 10.497 436 2HH2 ARG 44 2HH2 ARG 44 -17.516 3.048 10.105 437 H LYS 45 HN LYS 45 -12.615 6.906 10.845 438 HA LYS 45 HA LYS 45 -12.102 8.727 13.113 439 1HB LYS 45 2HB LYS 45 -13.615 6.103 13.127 440 2HB LYS 45 1HB LYS 45 -13.185 7.018 14.564 441 1HG LYS 45 2HG LYS 45 -14.563 8.891 13.748 442 2HG LYS 45 1HG LYS 45 -15.041 7.901 12.365 443 1HD LYS 45 2HD LYS 45 -16.742 7.840 14.115 444 2HD LYS 45 1HD LYS 45 -16.015 6.250 13.886 445 1HE LYS 45 2HE LYS 45 -16.252 6.689 16.245 446 2HE LYS 45 1HE LYS 45 -14.542 6.679 15.819 447 1HZ LYS 45 1HZ LYS 45 -14.546 9.089 15.816 448 2HZ LYS 45 2HZ LYS 45 -15.107 8.509 17.308 449 3HZ LYS 45 3HZ LYS 45 -16.206 9.115 16.172 450 H GLU 46 HN GLU 46 -11.915 5.313 12.209 451 HA GLU 46 HA GLU 46 -9.159 5.149 13.155 452 1HB GLU 46 2HB GLU 46 -9.362 2.758 12.586 453 2HB GLU 46 1HB GLU 46 -10.671 3.265 13.646 454 1HG GLU 46 2HG GLU 46 -12.125 3.491 11.651 455 2HG GLU 46 1HG GLU 46 -10.816 2.836 10.672 456 H ILE 47 HN ILE 47 -7.708 3.870 11.419 457 HA ILE 47 HA ILE 47 -7.782 5.546 9.076 458 HB ILE 47 HB ILE 47 -5.770 4.539 8.346 459 1HG1 ILE 47 2HG1 ILE 47 -6.139 2.497 10.558 460 2HG1 ILE 47 1HG1 ILE 47 -6.242 2.180 8.831 461 1HG2 ILE 47 1HG2 ILE 47 -5.593 6.173 10.159 462 2HG2 ILE 47 2HG2 ILE 47 -4.302 4.980 10.262 463 3HG2 ILE 47 3HG2 ILE 47 -5.686 4.877 11.352 464 1HD1 ILE 47 1HD1 ILE 47 -3.877 2.723 8.594 465 2HD1 ILE 47 2HD1 ILE 47 -4.131 1.420 9.755 466 3HD1 ILE 47 3HD1 ILE 47 -3.778 3.052 10.323 467 H TYR 48 HN TYR 48 -8.784 5.119 7.242 468 HA TYR 48 HA TYR 48 -10.039 2.527 7.047 469 1HB TYR 48 2HB TYR 48 -11.539 3.517 5.415 470 2HB TYR 48 1HB TYR 48 -11.468 4.457 6.897 471 HD1 TYR 48 1HD TYR 48 -9.254 4.483 3.926 472 HD2 TYR 48 2HD TYR 48 -12.041 6.635 6.295 473 HE1 TYR 48 1HE TYR 48 -8.754 6.517 2.647 474 HE2 TYR 48 2HE TYR 48 -11.547 8.686 5.032 475 HH TYR 48 HH TYR 48 -9.877 8.675 2.111 476 H LEU 49 HN LEU 49 -7.295 3.991 5.814 477 HA LEU 49 HA LEU 49 -7.215 2.420 3.373 478 1HB LEU 49 2HB LEU 49 -5.094 4.079 4.739 479 2HB LEU 49 1HB LEU 49 -4.820 3.171 3.268 480 HG LEU 49 HG LEU 49 -6.873 4.619 2.418 481 1HD1 LEU 49 1HD1 LEU 49 -6.770 6.880 3.314 482 2HD1 LEU 49 2HD1 LEU 49 -5.609 6.349 4.531 483 3HD1 LEU 49 3HD1 LEU 49 -7.256 5.721 4.552 484 1HD2 LEU 49 1HD2 LEU 49 -4.056 5.661 2.643 485 2HD2 LEU 49 2HD2 LEU 49 -5.267 6.182 1.473 486 3HD2 LEU 49 3HD2 LEU 49 -4.643 4.532 1.424 487 H THR 50 HN THR 50 -4.988 2.617 6.124 488 HA THR 50 HA THR 50 -3.738 1.120 7.203 489 HB THR 50 HB THR 50 -6.152 0.002 7.394 490 HG1 THR 50 1HG THR 50 -5.099 -0.638 9.107 491 1HG2 THR 50 1HG2 THR 50 -4.521 -2.135 6.009 492 2HG2 THR 50 2HG2 THR 50 -5.951 -1.345 5.344 493 3HG2 THR 50 3HG2 THR 50 -6.094 -2.362 6.778 494 H ILE 51 HN ILE 51 -3.818 1.320 4.064 495 HA ILE 51 HA ILE 51 -1.996 -0.883 3.515 496 HB ILE 51 HB ILE 51 -2.687 1.193 1.514 497 1HG1 ILE 51 2HG1 ILE 51 -4.763 0.421 2.751 498 2HG1 ILE 51 1HG1 ILE 51 -4.707 0.201 1.032 499 1HG2 ILE 51 1HG2 ILE 51 -2.517 -0.696 -0.019 500 2HG2 ILE 51 2HG2 ILE 51 -2.209 -1.768 1.346 501 3HG2 ILE 51 3HG2 ILE 51 -1.049 -0.504 0.940 502 1HD1 ILE 51 1HD1 ILE 51 -5.695 -1.688 2.169 503 2HD1 ILE 51 2HD1 ILE 51 -4.144 -1.961 2.966 504 3HD1 ILE 51 3HD1 ILE 51 -4.276 -2.096 1.208 505 H GLN 52 HN GLN 52 -2.058 2.584 2.690 506 HA GLN 52 HA GLN 52 0.825 2.669 2.663 507 1HB GLN 52 2HB GLN 52 0.695 4.753 1.703 508 2HB GLN 52 1HB GLN 52 -0.802 4.018 1.129 509 1HG GLN 52 2HG GLN 52 -2.109 5.241 2.664 510 2HG GLN 52 1HG GLN 52 -0.697 5.723 3.600 511 1HE2 GLN 52 1HE2 GLN 52 -0.903 7.885 3.475 512 2HE2 GLN 52 2HE2 GLN 52 -0.845 8.776 1.992 513 H GLU 53 HN GLU 53 -1.697 3.420 4.952 514 HA GLU 53 HA GLU 53 -0.259 5.265 6.534 515 1HB GLU 53 2HB GLU 53 -2.744 4.522 6.701 516 2HB GLU 53 1HB GLU 53 -2.134 3.201 7.697 517 1HG GLU 53 2HG GLU 53 -1.829 6.144 8.271 518 2HG GLU 53 1HG GLU 53 -2.976 5.054 9.038 519 H GLU 54 HN GLU 54 -0.388 1.787 6.375 520 HA GLU 54 HA GLU 54 1.520 1.210 8.366 521 1HB GLU 54 2HB GLU 54 0.366 -0.242 6.002 522 2HB GLU 54 1HB GLU 54 1.727 -0.941 6.888 523 1HG GLU 54 2HG GLU 54 -0.949 -0.186 8.052 524 2HG GLU 54 1HG GLU 54 -0.410 -1.819 7.661 525 H ASN 55 HN ASN 55 1.799 2.285 5.068 526 HA ASN 55 HA ASN 55 4.704 1.825 5.102 527 1HB ASN 55 2HB ASN 55 2.735 1.009 2.991 528 2HB ASN 55 1HB ASN 55 4.480 1.034 2.735 529 1HD2 ASN 55 1HD2 ASN 55 1.827 -0.574 4.249 530 2HD2 ASN 55 2HD2 ASN 55 2.700 -1.970 4.778 531 H ASN 56 HN ASN 56 3.666 4.342 5.471 532 HA ASN 56 HA ASN 56 3.319 5.668 2.960 533 1HB ASN 56 2HB ASN 56 2.127 6.319 5.038 534 2HB ASN 56 1HB ASN 56 3.664 6.834 5.720 535 1HD2 ASN 56 1HD2 ASN 56 1.160 8.301 5.134 536 2HD2 ASN 56 2HD2 ASN 56 1.652 9.642 4.159 537 H ARG 57 HN ARG 57 5.614 5.916 5.594 538 HA ARG 57 HA ARG 57 7.555 7.436 4.246 539 1HB ARG 57 2HB ARG 57 9.016 6.691 6.135 540 2HB ARG 57 1HB ARG 57 7.473 7.366 6.650 541 1HG ARG 57 2HG ARG 57 6.613 5.005 6.766 542 2HG ARG 57 1HG ARG 57 8.281 4.476 6.550 543 1HD ARG 57 2HD ARG 57 7.919 4.471 8.878 544 2HD ARG 57 1HD ARG 57 8.854 5.930 8.552 545 HE ARG 57 HE ARG 57 5.971 6.263 8.626 546 1HH1 ARG 57 1HH1 ARG 57 9.014 6.490 10.356 547 2HH1 ARG 57 2HH1 ARG 57 8.355 7.484 11.618 548 1HH2 ARG 57 1HH2 ARG 57 5.125 7.603 10.293 549 2HH2 ARG 57 2HH2 ARG 57 6.167 8.096 11.597 550 H ALA 58 HN ALA 58 7.174 3.930 4.704 551 HA ALA 58 HA ALA 58 8.957 3.442 2.475 552 1HB ALA 58 1HB ALA 58 10.496 3.576 4.371 553 2HB ALA 58 2HB ALA 58 10.431 1.944 3.700 554 3HB ALA 58 3HB ALA 58 9.581 2.317 5.200 555 H ALA 59 HN ALA 59 7.063 2.624 1.522 556 HA ALA 59 HA ALA 59 5.567 0.435 2.389 557 1HB ALA 59 1HB ALA 59 6.377 1.097 -0.444 558 2HB ALA 59 2HB ALA 59 5.024 1.822 0.427 559 3HB ALA 59 3HB ALA 59 5.009 0.099 0.050 560 H ALA 60 HN ALA 60 6.107 -1.621 2.803 561 HA ALA 60 HA ALA 60 8.216 -2.959 1.289 562 1HB ALA 60 1HB ALA 60 8.409 -2.622 4.274 563 2HB ALA 60 2HB ALA 60 9.409 -1.792 3.082 564 3HB ALA 60 3HB ALA 60 9.509 -3.545 3.252 565 H LEU 61 HN LEU 61 5.246 -3.322 1.834 566 HA LEU 61 HA LEU 61 5.335 -5.834 3.326 567 1HB LEU 61 2HB LEU 61 3.047 -4.007 2.666 568 2HB LEU 61 1HB LEU 61 2.800 -5.632 3.275 569 HG LEU 61 HG LEU 61 4.146 -3.337 4.693 570 1HD1 LEU 61 1HD1 LEU 61 2.381 -3.700 6.345 571 2HD1 LEU 61 2HD1 LEU 61 1.712 -4.992 5.348 572 3HD1 LEU 61 3HD1 LEU 61 1.709 -3.330 4.756 573 1HD2 LEU 61 1HD2 LEU 61 3.928 -6.213 5.570 574 2HD2 LEU 61 2HD2 LEU 61 4.536 -4.874 6.543 575 3HD2 LEU 61 3HD2 LEU 61 5.413 -5.385 5.102 576 H SER 62 HN SER 62 5.596 -7.542 2.252 577 HA SER 62 HA SER 62 3.924 -8.349 0.066 578 1HB SER 62 2HB SER 62 6.933 -8.182 -0.317 579 2HB SER 62 1HB SER 62 5.789 -8.901 -1.448 580 HG SER 62 HG SER 62 5.566 -6.997 -2.264 581 H SER 63 HN SER 63 6.984 -8.965 1.544 582 HA SER 63 HA SER 63 6.715 -10.845 3.382 583 1HB SER 63 2HB SER 63 6.667 -12.194 0.667 584 2HB SER 63 1HB SER 63 7.357 -13.003 2.074 585 HG SER 63 HG SER 63 4.709 -11.968 1.931 586 H ASP 64 HN ASP 64 8.208 -10.213 0.336 587 HA ASP 64 HA ASP 64 10.892 -10.214 1.467 588 1HB ASP 64 2HB ASP 64 9.722 -10.042 -1.289 589 2HB ASP 64 1HB ASP 64 11.382 -9.507 -1.000 590 H VAL 65 HN VAL 65 11.062 -8.455 2.733 591 HA VAL 65 HA VAL 65 10.011 -5.891 2.187 592 HB VAL 65 HB VAL 65 12.473 -6.577 3.778 593 1HG1 VAL 65 1HG1 VAL 65 12.278 -4.200 3.331 594 2HG1 VAL 65 2HG1 VAL 65 11.974 -4.530 5.038 595 3HG1 VAL 65 3HG1 VAL 65 10.625 -4.205 3.948 596 1HG2 VAL 65 1HG2 VAL 65 11.000 -6.668 5.740 597 2HG2 VAL 65 2HG2 VAL 65 10.593 -7.905 4.552 598 3HG2 VAL 65 3HG2 VAL 65 9.603 -6.453 4.687 599 H ILE 66 HN ILE 66 13.456 -6.592 2.386 600 HA ILE 66 HA ILE 66 13.894 -5.209 -0.173 601 HB ILE 66 HB ILE 66 15.973 -5.745 1.970 602 1HG1 ILE 66 2HG1 ILE 66 14.410 -3.196 1.478 603 2HG1 ILE 66 1HG1 ILE 66 14.179 -4.282 2.842 604 1HG2 ILE 66 1HG2 ILE 66 15.960 -3.890 -0.413 605 2HG2 ILE 66 2HG2 ILE 66 16.900 -5.374 -0.245 606 3HG2 ILE 66 3HG2 ILE 66 17.244 -3.989 0.793 607 1HD1 ILE 66 1HD1 ILE 66 16.455 -3.810 3.594 608 2HD1 ILE 66 2HD1 ILE 66 15.478 -2.346 3.483 609 3HD1 ILE 66 3HD1 ILE 66 16.669 -2.707 2.234 610 H SER 67 HN SER 67 13.468 -8.077 1.147 611 HA SER 67 HA SER 67 13.703 -10.202 0.542 612 1HB SER 67 2HB SER 67 13.284 -9.319 -1.692 613 2HB SER 67 1HB SER 67 15.008 -9.054 -1.907 614 HG SER 67 HG SER 67 13.591 -11.492 -1.708 615 H ALA 68 HN ALA 68 16.733 -8.824 -0.776 616 HA ALA 68 HA ALA 68 18.351 -10.937 0.158 617 1HB ALA 68 1HB ALA 68 19.158 -8.106 -0.510 618 2HB ALA 68 2HB ALA 68 19.014 -9.433 -1.664 619 3HB ALA 68 3HB ALA 68 20.239 -9.497 -0.395 620 H LEU 69 HN LEU 69 18.840 -11.442 2.150 621 HA LEU 69 HA LEU 69 19.575 -11.329 4.293 622 1HB LEU 69 2HB LEU 69 19.861 -8.355 3.877 623 2HB LEU 69 1HB LEU 69 20.571 -9.304 5.169 624 HG LEU 69 HG LEU 69 21.268 -9.549 2.239 625 1HD1 LEU 69 1HD1 LEU 69 23.410 -8.567 2.911 626 2HD1 LEU 69 2HD1 LEU 69 22.790 -8.342 4.548 627 3HD1 LEU 69 3HD1 LEU 69 22.067 -7.459 3.202 628 1HD2 LEU 69 1HD2 LEU 69 23.084 -10.987 3.029 629 2HD2 LEU 69 2HD2 LEU 69 21.504 -11.666 3.424 630 3HD2 LEU 69 3HD2 LEU 69 22.461 -10.870 4.674 631 H SER 70 HN SER 70 17.504 -8.577 3.503 632 HA SER 70 HA SER 70 15.561 -7.803 4.347 633 1HB SER 70 2HB SER 70 14.934 -10.257 4.408 634 2HB SER 70 1HB SER 70 15.414 -10.257 6.104 635 HG SER 70 HG SER 70 13.109 -9.848 5.574 636 H SER 71 HN SER 71 14.738 -6.680 6.183 637 HA SER 71 HA SER 71 15.048 -5.240 7.911 638 1HB SER 71 2HB SER 71 16.421 -7.649 9.136 639 2HB SER 71 1HB SER 71 15.803 -6.256 10.021 640 HG SER 71 HG SER 71 14.327 -8.201 8.566 641 H GLN 72 HN GLN 72 16.955 -5.005 5.877 642 HA GLN 72 HA GLN 72 19.626 -5.092 6.744 643 1HB GLN 72 2HB GLN 72 18.358 -3.438 4.562 644 2HB GLN 72 1HB GLN 72 20.089 -3.627 4.795 645 1HG GLN 72 2HG GLN 72 19.799 -6.076 4.463 646 2HG GLN 72 1HG GLN 72 18.109 -5.769 4.058 647 1HE2 GLN 72 1HE2 GLN 72 20.209 -6.904 2.407 648 2HE2 GLN 72 2HE2 GLN 72 20.352 -5.885 1.014 649 H LYS 73 HN LYS 73 20.402 -3.982 8.377 650 HA LYS 73 HA LYS 73 19.500 -1.324 8.997 651 1HB LYS 73 2HB LYS 73 21.236 -1.379 10.761 652 2HB LYS 73 1HB LYS 73 20.157 -2.761 10.838 653 1HG LYS 73 2HG LYS 73 22.809 -2.940 9.456 654 2HG LYS 73 1HG LYS 73 22.661 -3.148 11.199 655 1HD LYS 73 2HD LYS 73 21.120 -4.994 10.875 656 2HD LYS 73 1HD LYS 73 21.170 -4.757 9.127 657 1HE LYS 73 2HE LYS 73 23.547 -5.303 9.112 658 2HE LYS 73 1HE LYS 73 23.526 -5.486 10.865 659 1HZ LYS 73 1HZ LYS 73 21.997 -7.152 8.937 660 2HZ LYS 73 2HZ LYS 73 21.978 -7.322 10.624 661 3HZ LYS 73 3HZ LYS 73 23.406 -7.622 9.761 662 H LYS 74 HN LYS 74 20.281 0.484 8.170 663 HA LYS 74 HA LYS 74 22.871 0.392 6.781 664 1HB LYS 74 2HB LYS 74 20.341 1.756 5.825 665 2HB LYS 74 1HB LYS 74 21.909 1.860 5.037 666 1HG LYS 74 2HG LYS 74 21.869 -0.457 4.476 667 2HG LYS 74 1HG LYS 74 20.437 -0.726 5.470 668 1HD LYS 74 2HD LYS 74 20.414 1.174 3.142 669 2HD LYS 74 1HD LYS 74 20.125 -0.551 2.930 670 1HE LYS 74 2HE LYS 74 18.000 0.508 3.108 671 2HE LYS 74 1HE LYS 74 18.277 -0.362 4.612 672 1HZ LYS 74 1HZ LYS 74 18.858 1.695 5.691 673 2HZ LYS 74 2HZ LYS 74 17.343 1.863 4.954 674 3HZ LYS 74 3HZ LYS 74 18.718 2.552 4.233 Start of MODEL 6 1 H HIS -9 H HIS -9 16.811 21.109 -14.651 2 HA HIS -9 HA HIS -9 16.825 18.814 -15.414 3 1HB HIS -9 2HB HIS -9 16.144 18.217 -12.520 4 2HB HIS -9 1HB HIS -9 16.051 17.056 -13.837 5 HD1 HIS -9 1HD HIS -9 18.308 16.127 -14.764 6 HD2 HIS -9 2HD HIS -9 18.690 18.675 -11.495 7 HE1 HIS -9 1HE HIS -9 20.649 15.799 -13.913 8 HE2 HIS -9 2HE HIS -9 20.863 17.332 -11.929 9 H SER -8 HN SER -8 14.675 17.488 -15.476 10 HA SER -8 HA SER -8 12.373 19.018 -14.572 11 1HB SER -8 2HB SER -8 12.956 19.868 -16.874 12 2HB SER -8 1HB SER -8 12.637 18.246 -17.490 13 HG SER -8 HG SER -8 10.629 18.836 -17.576 14 H SER -7 HN SER -7 12.923 16.364 -16.912 15 HA SER -7 HA SER -7 10.982 14.787 -15.384 16 1HB SER -7 2HB SER -7 12.089 14.288 -18.158 17 2HB SER -7 1HB SER -7 10.758 13.420 -17.391 18 HG SER -7 HG SER -7 10.220 15.196 -18.907 19 H GLY -6 HN GLY -6 14.292 15.107 -15.656 20 1HA GLY -6 2HA GLY -6 14.943 12.327 -15.144 21 2HA GLY -6 1HA GLY -6 16.042 13.702 -15.023 22 H HIS -5 HN HIS -5 13.037 13.996 -13.504 23 HA HIS -5 HA HIS -5 14.256 13.681 -10.853 24 1HB HIS -5 2HB HIS -5 13.677 15.966 -11.195 25 2HB HIS -5 1HB HIS -5 12.131 15.541 -11.927 26 HD1 HIS -5 1HD HIS -5 13.842 15.462 -8.527 27 HD2 HIS -5 2HD HIS -5 10.038 15.524 -10.202 28 HE1 HIS -5 1HE HIS -5 12.250 15.746 -6.595 29 HE2 HIS -5 2HE HIS -5 9.949 15.577 -7.623 30 H ILE -4 HN ILE -4 13.405 12.177 -9.536 31 HA ILE -4 HA ILE -4 10.924 10.870 -10.388 32 HB ILE -4 HB ILE -4 12.771 9.335 -10.065 33 1HG1 ILE -4 2HG1 ILE -4 11.774 7.826 -8.338 34 2HG1 ILE -4 1HG1 ILE -4 10.695 9.140 -7.878 35 1HG2 ILE -4 1HG2 ILE -4 12.930 10.359 -7.240 36 2HG2 ILE -4 2HG2 ILE -4 14.120 10.619 -8.514 37 3HG2 ILE -4 3HG2 ILE -4 13.835 8.993 -7.893 38 1HD1 ILE -4 1HD1 ILE -4 9.578 7.569 -9.348 39 2HD1 ILE -4 2HD1 ILE -4 10.816 7.818 -10.580 40 3HD1 ILE -4 3HD1 ILE -4 9.743 9.142 -10.126 41 H GLU -3 HN GLU -3 9.102 11.263 -9.364 42 HA GLU -3 HA GLU -3 9.062 13.048 -7.113 43 1HB GLU -3 2HB GLU -3 6.862 11.640 -8.635 44 2HB GLU -3 1HB GLU -3 6.571 12.754 -7.305 45 1HG GLU -3 2HG GLU -3 8.107 13.515 -9.769 46 2HG GLU -3 1HG GLU -3 6.362 13.706 -9.623 47 H GLY -2 HN GLY -2 8.910 12.529 -5.034 48 1HA GLY -2 2HA GLY -2 9.083 9.839 -4.174 49 2HA GLY -2 1HA GLY -2 8.798 11.229 -3.131 50 H ARG -1 HN ARG -1 7.435 8.554 -4.718 51 HA ARG -1 HA ARG -1 4.814 9.207 -3.555 52 1HB ARG -1 2HB ARG -1 3.730 8.040 -5.378 53 2HB ARG -1 1HB ARG -1 4.790 9.269 -6.054 54 1HG ARG -1 2HG ARG -1 6.461 7.593 -6.575 55 2HG ARG -1 1HG ARG -1 5.471 6.346 -5.813 56 1HD ARG -1 2HD ARG -1 5.172 6.193 -8.180 57 2HD ARG -1 1HD ARG -1 3.687 6.829 -7.476 58 HE ARG -1 HE ARG -1 5.681 8.632 -8.679 59 1HH1 ARG -1 1HH1 ARG -1 2.424 7.342 -8.494 60 2HH1 ARG -1 2HH1 ARG -1 1.784 8.470 -9.653 61 1HH2 ARG -1 1HH2 ARG -1 4.860 10.091 -10.212 62 2HH2 ARG -1 2HH2 ARG -1 3.174 10.035 -10.652 63 H HIS 0 HN HIS 0 3.565 7.160 -3.023 64 HA HIS 0 HA HIS 0 5.425 4.960 -2.513 65 1HB HIS 0 2HB HIS 0 4.248 4.431 -0.378 66 2HB HIS 0 1HB HIS 0 5.169 5.922 -0.347 67 HD1 HIS 0 1HD HIS 0 3.943 7.231 1.374 68 HD2 HIS 0 2HD HIS 0 1.384 5.577 -1.437 69 HE1 HIS 0 1HE HIS 0 1.662 8.149 1.917 70 HE2 HIS 0 2HE HIS 0 0.102 6.980 0.311 71 H MET 1 HN MET 1 4.889 3.340 -3.706 72 HA MET 1 HA MET 1 2.048 2.751 -4.130 73 1HB MET 1 2HB MET 1 3.435 2.859 -6.147 74 2HB MET 1 1HB MET 1 4.505 1.634 -5.492 75 1HG MET 1 2HG MET 1 2.619 0.035 -5.489 76 2HG MET 1 1HG MET 1 1.622 1.269 -6.259 77 1HE MET 1 1HE MET 1 2.285 -1.318 -9.152 78 2HE MET 1 2HE MET 1 1.050 -0.452 -8.237 79 3HE MET 1 3HE MET 1 2.048 -1.668 -7.439 80 H LEU 2 HN LEU 2 1.292 1.605 -2.467 81 HA LEU 2 HA LEU 2 3.082 -0.378 -1.253 82 1HB LEU 2 2HB LEU 2 1.982 1.458 0.151 83 2HB LEU 2 1HB LEU 2 0.471 0.614 -0.131 84 HG LEU 2 HG LEU 2 1.761 0.160 2.077 85 1HD1 LEU 2 1HD1 LEU 2 0.959 -2.132 2.154 86 2HD1 LEU 2 2HD1 LEU 2 0.792 -2.147 0.397 87 3HD1 LEU 2 3HD1 LEU 2 -0.223 -1.083 1.371 88 1HD2 LEU 2 1HD2 LEU 2 3.358 -1.660 1.968 89 2HD2 LEU 2 2HD2 LEU 2 3.930 -0.281 1.029 90 3HD2 LEU 2 3HD2 LEU 2 3.242 -1.684 0.210 91 H VAL 3 HN VAL 3 2.829 -2.371 -1.819 92 HA VAL 3 HA VAL 3 0.433 -3.265 -3.126 93 HB VAL 3 HB VAL 3 1.838 -5.454 -3.140 94 1HG1 VAL 3 1HG1 VAL 3 2.624 -3.004 -4.704 95 2HG1 VAL 3 2HG1 VAL 3 1.354 -4.152 -5.125 96 3HG1 VAL 3 3HG1 VAL 3 3.043 -4.661 -5.141 97 1HG2 VAL 3 1HG2 VAL 3 3.948 -3.397 -2.536 98 2HG2 VAL 3 2HG2 VAL 3 4.256 -5.049 -3.069 99 3HG2 VAL 3 3HG2 VAL 3 3.493 -4.753 -1.507 100 H LEU 4 HN LEU 4 -1.183 -4.156 -2.122 101 HA LEU 4 HA LEU 4 -0.794 -5.316 0.562 102 1HB LEU 4 2HB LEU 4 -2.462 -3.314 -0.120 103 2HB LEU 4 1HB LEU 4 -3.498 -4.673 -0.484 104 HG LEU 4 HG LEU 4 -3.829 -3.658 1.785 105 1HD1 LEU 4 1HD1 LEU 4 -4.612 -5.900 1.341 106 2HD1 LEU 4 2HD1 LEU 4 -3.945 -5.819 2.971 107 3HD1 LEU 4 3HD1 LEU 4 -3.012 -6.561 1.672 108 1HD2 LEU 4 1HD2 LEU 4 -1.458 -3.197 2.256 109 2HD2 LEU 4 2HD2 LEU 4 -1.162 -4.932 2.387 110 3HD2 LEU 4 3HD2 LEU 4 -2.232 -4.130 3.535 111 H SER 5 HN SER 5 -1.471 -7.459 0.841 112 HA SER 5 HA SER 5 -1.749 -8.804 -1.695 113 1HB SER 5 2HB SER 5 -1.383 -10.887 -0.337 114 2HB SER 5 1HB SER 5 -0.076 -9.710 -0.225 115 HG SER 5 HG SER 5 -0.457 -9.495 1.833 116 H ARG 6 HN ARG 6 -3.677 -9.033 -2.502 117 HA ARG 6 HA ARG 6 -5.859 -10.035 -0.840 118 1HB ARG 6 2HB ARG 6 -6.085 -7.562 -0.884 119 2HB ARG 6 1HB ARG 6 -6.088 -7.606 -2.640 120 1HG ARG 6 2HG ARG 6 -8.336 -7.380 -1.953 121 2HG ARG 6 1HG ARG 6 -8.141 -9.044 -2.507 122 1HD ARG 6 2HD ARG 6 -9.407 -9.112 -0.498 123 2HD ARG 6 1HD ARG 6 -7.786 -9.698 -0.118 124 HE ARG 6 HE ARG 6 -7.854 -6.951 0.386 125 1HH1 ARG 6 1HH1 ARG 6 -9.232 -9.915 1.637 126 2HH1 ARG 6 2HH1 ARG 6 -9.471 -9.275 3.234 127 1HH2 ARG 6 1HH2 ARG 6 -8.149 -6.116 2.516 128 2HH2 ARG 6 2HH2 ARG 6 -8.861 -7.134 3.734 129 H LYS 7 HN LYS 7 -6.738 -11.722 -1.895 130 HA LYS 7 HA LYS 7 -5.761 -12.101 -4.630 131 1HB LYS 7 2HB LYS 7 -6.583 -14.191 -2.602 132 2HB LYS 7 1HB LYS 7 -5.915 -14.514 -4.197 133 1HG LYS 7 2HG LYS 7 -4.051 -14.759 -2.882 134 2HG LYS 7 1HG LYS 7 -3.916 -13.061 -3.338 135 1HD LYS 7 2HD LYS 7 -5.302 -12.684 -1.143 136 2HD LYS 7 1HD LYS 7 -4.677 -14.272 -0.718 137 1HE LYS 7 2HE LYS 7 -2.398 -13.461 -1.033 138 2HE LYS 7 1HE LYS 7 -3.012 -11.858 -1.482 139 1HZ LYS 7 1HZ LYS 7 -2.365 -11.863 0.826 140 2HZ LYS 7 2HZ LYS 7 -3.315 -13.224 1.160 141 3HZ LYS 7 3HZ LYS 7 -4.055 -11.753 0.751 142 H ILE 8 HN ILE 8 -7.824 -10.567 -4.602 143 HA ILE 8 HA ILE 8 -10.172 -12.223 -5.254 144 HB ILE 8 HB ILE 8 -10.310 -9.489 -3.964 145 1HG1 ILE 8 2HG1 ILE 8 -9.259 -11.153 -2.429 146 2HG1 ILE 8 1HG1 ILE 8 -10.819 -10.566 -1.854 147 1HG2 ILE 8 1HG2 ILE 8 -12.649 -10.090 -3.547 148 2HG2 ILE 8 2HG2 ILE 8 -12.396 -11.630 -4.370 149 3HG2 ILE 8 3HG2 ILE 8 -12.264 -10.118 -5.268 150 1HD1 ILE 8 1HD1 ILE 8 -11.882 -12.613 -2.620 151 2HD1 ILE 8 2HD1 ILE 8 -10.562 -12.958 -1.503 152 3HD1 ILE 8 3HD1 ILE 8 -10.335 -13.191 -3.236 153 H ASN 9 HN ASN 9 -8.075 -9.586 -5.898 154 HA ASN 9 HA ASN 9 -7.805 -8.112 -7.589 155 1HB ASN 9 2HB ASN 9 -8.384 -10.358 -8.866 156 2HB ASN 9 1HB ASN 9 -9.855 -9.483 -9.274 157 1HD2 ASN 9 1HD2 ASN 9 -7.339 -10.411 -10.699 158 2HD2 ASN 9 2HD2 ASN 9 -6.862 -9.025 -11.633 159 H GLU 10 HN GLU 10 -10.032 -8.032 -5.588 160 HA GLU 10 HA GLU 10 -12.137 -6.533 -6.776 161 1HB GLU 10 2HB GLU 10 -12.762 -5.994 -4.447 162 2HB GLU 10 1HB GLU 10 -12.514 -7.716 -4.686 163 1HG GLU 10 2HG GLU 10 -10.344 -7.591 -3.630 164 2HG GLU 10 1HG GLU 10 -10.488 -5.841 -3.478 165 H ALA 11 HN ALA 11 -12.561 -4.249 -5.945 166 HA ALA 11 HA ALA 11 -10.085 -2.707 -6.362 167 1HB ALA 11 1HB ALA 11 -11.515 -0.941 -7.263 168 2HB ALA 11 2HB ALA 11 -12.944 -1.925 -6.955 169 3HB ALA 11 3HB ALA 11 -11.751 -2.449 -8.143 170 H ILE 12 HN ILE 12 -9.566 -1.079 -4.946 171 HA ILE 12 HA ILE 12 -11.188 -1.112 -2.498 172 HB ILE 12 HB ILE 12 -8.308 -0.241 -2.745 173 1HG1 ILE 12 2HG1 ILE 12 -8.502 -2.609 -3.373 174 2HG1 ILE 12 1HG1 ILE 12 -7.695 -2.429 -1.818 175 1HG2 ILE 12 1HG2 ILE 12 -9.481 0.643 -0.809 176 2HG2 ILE 12 2HG2 ILE 12 -8.281 -0.555 -0.319 177 3HG2 ILE 12 3HG2 ILE 12 -9.991 -0.985 -0.358 178 1HD1 ILE 12 1HD1 ILE 12 -9.727 -3.064 -0.663 179 2HD1 ILE 12 2HD1 ILE 12 -9.280 -4.295 -1.847 180 3HD1 ILE 12 3HD1 ILE 12 -10.589 -3.167 -2.198 181 H GLN 13 HN GLN 13 -12.528 0.506 -2.494 182 HA GLN 13 HA GLN 13 -11.522 3.221 -3.042 183 1HB GLN 13 2HB GLN 13 -13.266 2.859 -4.596 184 2HB GLN 13 1HB GLN 13 -14.239 1.972 -3.435 185 1HG GLN 13 2HG GLN 13 -15.261 4.095 -3.840 186 2HG GLN 13 1HG GLN 13 -14.624 4.075 -2.198 187 1HE2 GLN 13 1HE2 GLN 13 -12.879 5.399 -1.681 188 2HE2 GLN 13 2HE2 GLN 13 -12.371 6.692 -2.706 189 H ILE 14 HN ILE 14 -10.858 3.864 -1.081 190 HA ILE 14 HA ILE 14 -12.792 3.563 1.104 191 HB ILE 14 HB ILE 14 -10.912 3.705 2.702 192 1HG1 ILE 14 2HG1 ILE 14 -9.328 4.713 0.898 193 2HG1 ILE 14 1HG1 ILE 14 -8.668 3.620 2.107 194 1HG2 ILE 14 1HG2 ILE 14 -11.911 1.580 2.138 195 2HG2 ILE 14 2HG2 ILE 14 -10.177 1.385 2.391 196 3HG2 ILE 14 3HG2 ILE 14 -10.831 1.410 0.754 197 1HD1 ILE 14 1HD1 ILE 14 -7.775 3.169 -0.106 198 2HD1 ILE 14 2HD1 ILE 14 -9.404 2.881 -0.716 199 3HD1 ILE 14 3HD1 ILE 14 -8.711 1.801 0.494 200 H GLY 15 HN GLY 15 -13.763 5.316 1.569 201 1HA GLY 15 2HA GLY 15 -14.050 7.433 2.412 202 2HA GLY 15 1HA GLY 15 -12.314 7.688 2.281 203 H ALA 16 HN ALA 16 -11.543 7.769 -0.005 204 HA ALA 16 HA ALA 16 -12.795 8.643 -2.212 205 1HB ALA 16 1HB ALA 16 -13.968 10.360 -0.873 206 2HB ALA 16 2HB ALA 16 -12.916 11.083 -2.090 207 3HB ALA 16 3HB ALA 16 -12.409 11.039 -0.401 208 H ASP 17 HN ASP 17 -10.299 8.966 0.093 209 HA ASP 17 HA ASP 17 -8.392 10.436 -1.348 210 1HB ASP 17 2HB ASP 17 -8.366 9.963 1.153 211 2HB ASP 17 1HB ASP 17 -7.812 8.342 0.755 212 H ILE 18 HN ILE 18 -8.951 6.956 -0.944 213 HA ILE 18 HA ILE 18 -7.152 6.528 -3.226 214 HB ILE 18 HB ILE 18 -7.243 4.966 -0.652 215 1HG1 ILE 18 2HG1 ILE 18 -5.805 6.947 -0.654 216 2HG1 ILE 18 1HG1 ILE 18 -4.842 5.475 -0.589 217 1HG2 ILE 18 1HG2 ILE 18 -7.205 3.391 -2.524 218 2HG2 ILE 18 2HG2 ILE 18 -5.672 3.392 -1.654 219 3HG2 ILE 18 3HG2 ILE 18 -5.805 4.224 -3.202 220 1HD1 ILE 18 1HD1 ILE 18 -4.367 5.687 -2.976 221 2HD1 ILE 18 2HD1 ILE 18 -3.841 7.107 -2.071 222 3HD1 ILE 18 3HD1 ILE 18 -5.321 7.171 -3.031 223 H GLU 19 HN GLU 19 -8.320 5.844 -4.835 224 HA GLU 19 HA GLU 19 -9.884 3.382 -4.441 225 1HB GLU 19 2HB GLU 19 -11.507 5.099 -4.901 226 2HB GLU 19 1HB GLU 19 -10.545 5.726 -6.231 227 1HG GLU 19 2HG GLU 19 -10.924 3.649 -7.473 228 2HG GLU 19 1HG GLU 19 -11.909 3.047 -6.141 229 H VAL 20 HN VAL 20 -8.791 1.749 -5.423 230 HA VAL 20 HA VAL 20 -8.116 1.677 -8.112 231 HB VAL 20 HB VAL 20 -6.456 3.429 -7.527 232 1HG1 VAL 20 1HG1 VAL 20 -4.448 2.796 -6.237 233 2HG1 VAL 20 2HG1 VAL 20 -5.234 1.276 -5.811 234 3HG1 VAL 20 3HG1 VAL 20 -5.920 2.804 -5.265 235 1HG2 VAL 20 1HG2 VAL 20 -5.267 0.797 -8.385 236 2HG2 VAL 20 2HG2 VAL 20 -4.529 2.382 -8.625 237 3HG2 VAL 20 3HG2 VAL 20 -6.049 1.982 -9.431 238 H LYS 21 HN LYS 21 -7.443 -0.361 -8.729 239 HA LYS 21 HA LYS 21 -6.191 -2.073 -6.725 240 1HB LYS 21 2HB LYS 21 -7.383 -4.011 -7.988 241 2HB LYS 21 1HB LYS 21 -8.239 -3.130 -6.737 242 1HG LYS 21 2HG LYS 21 -9.839 -3.242 -8.353 243 2HG LYS 21 1HG LYS 21 -9.095 -1.688 -8.744 244 1HD LYS 21 2HD LYS 21 -7.717 -2.831 -10.453 245 2HD LYS 21 1HD LYS 21 -8.542 -4.344 -10.077 246 1HE LYS 21 2HE LYS 21 -9.484 -3.273 -12.063 247 2HE LYS 21 1HE LYS 21 -10.665 -3.378 -10.758 248 1HZ LYS 21 1HZ LYS 21 -10.656 -1.215 -11.907 249 2HZ LYS 21 2HZ LYS 21 -9.068 -0.951 -11.373 250 3HZ LYS 21 3HZ LYS 21 -10.329 -1.079 -10.249 251 H VAL 22 HN VAL 22 -4.164 -1.875 -7.471 252 HA VAL 22 HA VAL 22 -3.704 -2.543 -10.294 253 HB VAL 22 HB VAL 22 -1.705 -1.599 -8.221 254 1HG1 VAL 22 1HG1 VAL 22 -1.425 -1.956 -11.205 255 2HG1 VAL 22 2HG1 VAL 22 -0.671 -2.951 -9.959 256 3HG1 VAL 22 3HG1 VAL 22 -0.209 -1.257 -10.135 257 1HG2 VAL 22 1HG2 VAL 22 -1.739 0.531 -9.454 258 2HG2 VAL 22 2HG2 VAL 22 -3.302 0.154 -8.731 259 3HG2 VAL 22 3HG2 VAL 22 -3.050 -0.087 -10.459 260 H ILE 23 HN ILE 23 -3.644 -4.668 -10.619 261 HA ILE 23 HA ILE 23 -2.723 -6.375 -8.431 262 HB ILE 23 HB ILE 23 -4.362 -6.974 -10.886 263 1HG1 ILE 23 2HG1 ILE 23 -5.553 -5.904 -9.008 264 2HG1 ILE 23 1HG1 ILE 23 -6.091 -7.565 -9.249 265 1HG2 ILE 23 1HG2 ILE 23 -2.848 -8.841 -10.515 266 2HG2 ILE 23 2HG2 ILE 23 -4.508 -9.284 -10.114 267 3HG2 ILE 23 3HG2 ILE 23 -3.356 -8.927 -8.827 268 1HD1 ILE 23 1HD1 ILE 23 -4.732 -8.294 -7.373 269 2HD1 ILE 23 2HD1 ILE 23 -5.866 -7.033 -6.894 270 3HD1 ILE 23 3HD1 ILE 23 -4.164 -6.641 -7.136 271 H ALA 24 HN ALA 24 -0.991 -7.585 -8.529 272 HA ALA 24 HA ALA 24 0.368 -8.000 -11.086 273 1HB ALA 24 1HB ALA 24 2.535 -7.421 -10.116 274 2HB ALA 24 2HB ALA 24 1.750 -6.981 -8.599 275 3HB ALA 24 3HB ALA 24 1.436 -6.044 -10.060 276 H VAL 25 HN VAL 25 2.221 -9.634 -10.737 277 HA VAL 25 HA VAL 25 1.130 -11.813 -9.164 278 HB VAL 25 HB VAL 25 3.025 -13.115 -10.291 279 1HG1 VAL 25 1HG1 VAL 25 0.711 -13.339 -10.960 280 2HG1 VAL 25 2HG1 VAL 25 1.754 -13.342 -12.382 281 3HG1 VAL 25 3HG1 VAL 25 0.842 -11.893 -11.963 282 1HG2 VAL 25 1HG2 VAL 25 4.391 -11.217 -10.972 283 2HG2 VAL 25 2HG2 VAL 25 3.085 -10.637 -12.006 284 3HG2 VAL 25 3HG2 VAL 25 3.890 -12.163 -12.375 285 H GLU 26 HN GLU 26 1.779 -12.128 -7.179 286 HA GLU 26 HA GLU 26 4.298 -11.021 -6.230 287 1HB GLU 26 2HB GLU 26 1.963 -11.058 -5.030 288 2HB GLU 26 1HB GLU 26 2.422 -12.705 -4.602 289 1HG GLU 26 2HG GLU 26 4.339 -11.929 -3.398 290 2HG GLU 26 1HG GLU 26 4.107 -10.286 -3.990 291 H GLY 27 HN GLY 27 4.383 -13.126 -8.160 292 1HA GLY 27 2HA GLY 27 5.792 -14.997 -8.396 293 2HA GLY 27 1HA GLY 27 5.746 -15.217 -6.652 294 H ASP 28 HN ASP 28 3.527 -15.786 -5.765 295 HA ASP 28 HA ASP 28 1.925 -17.315 -7.686 296 1HB ASP 28 2HB ASP 28 2.798 -18.362 -4.980 297 2HB ASP 28 1HB ASP 28 1.686 -19.170 -6.078 298 H GLN 29 HN GLN 29 1.938 -14.838 -5.736 299 HA GLN 29 HA GLN 29 -0.723 -15.364 -4.597 300 1HB GLN 29 2HB GLN 29 1.076 -15.057 -2.919 301 2HB GLN 29 1HB GLN 29 1.418 -13.477 -3.610 302 1HG GLN 29 2HG GLN 29 -0.515 -12.541 -2.781 303 2HG GLN 29 1HG GLN 29 -1.307 -14.104 -2.576 304 1HE2 GLN 29 1HE2 GLN 29 1.021 -11.865 -1.285 305 2HE2 GLN 29 2HE2 GLN 29 1.105 -12.573 0.303 306 H VAL 30 HN VAL 30 -2.284 -13.718 -4.797 307 HA VAL 30 HA VAL 30 -1.657 -11.779 -6.901 308 HB VAL 30 HB VAL 30 -4.435 -12.432 -5.928 309 1HG1 VAL 30 1HG1 VAL 30 -3.483 -11.380 -8.579 310 2HG1 VAL 30 2HG1 VAL 30 -4.172 -10.411 -7.276 311 3HG1 VAL 30 3HG1 VAL 30 -5.157 -11.631 -8.081 312 1HG2 VAL 30 1HG2 VAL 30 -3.398 -14.541 -6.592 313 2HG2 VAL 30 2HG2 VAL 30 -2.972 -13.841 -8.155 314 3HG2 VAL 30 3HG2 VAL 30 -4.666 -14.061 -7.718 315 H LYS 31 HN LYS 31 -1.447 -9.727 -6.378 316 HA LYS 31 HA LYS 31 -2.694 -8.768 -3.915 317 1HB LYS 31 2HB LYS 31 -0.643 -7.869 -3.107 318 2HB LYS 31 1HB LYS 31 -0.348 -9.551 -3.549 319 1HG LYS 31 2HG LYS 31 0.544 -8.735 -5.729 320 2HG LYS 31 1HG LYS 31 0.378 -7.082 -5.134 321 1HD LYS 31 2HD LYS 31 2.178 -9.270 -4.143 322 2HD LYS 31 1HD LYS 31 2.624 -7.682 -4.771 323 1HE LYS 31 2HE LYS 31 1.615 -6.619 -2.821 324 2HE LYS 31 1HE LYS 31 1.138 -8.203 -2.203 325 1HZ LYS 31 1HZ LYS 31 3.966 -7.522 -2.775 326 2HZ LYS 31 2HZ LYS 31 3.361 -8.824 -1.863 327 3HZ LYS 31 3HZ LYS 31 3.249 -7.242 -1.264 328 H LEU 32 HN LEU 32 -3.095 -6.553 -3.839 329 HA LEU 32 HA LEU 32 -2.923 -5.163 -6.421 330 1HB LEU 32 2HB LEU 32 -4.577 -3.586 -5.411 331 2HB LEU 32 1HB LEU 32 -5.187 -5.205 -5.673 332 HG LEU 32 HG LEU 32 -4.384 -5.443 -3.111 333 1HD1 LEU 32 1HD1 LEU 32 -3.592 -3.164 -2.923 334 2HD1 LEU 32 2HD1 LEU 32 -4.995 -3.413 -1.882 335 3HD1 LEU 32 3HD1 LEU 32 -5.173 -2.550 -3.411 336 1HD2 LEU 32 1HD2 LEU 32 -7.007 -4.249 -4.017 337 2HD2 LEU 32 2HD2 LEU 32 -6.717 -5.069 -2.481 338 3HD2 LEU 32 3HD2 LEU 32 -6.604 -5.968 -3.993 339 H GLY 33 HN GLY 33 -2.475 -2.791 -6.280 340 1HA GLY 33 2HA GLY 33 -0.837 -2.111 -3.931 341 2HA GLY 33 1HA GLY 33 -0.184 -1.897 -5.547 342 H ILE 34 HN ILE 34 -1.396 -0.216 -3.088 343 HA ILE 34 HA ILE 34 -2.821 1.677 -4.810 344 HB ILE 34 HB ILE 34 -3.600 2.828 -2.878 345 1HG1 ILE 34 2HG1 ILE 34 -2.280 0.989 -0.929 346 2HG1 ILE 34 1HG1 ILE 34 -1.314 2.297 -1.628 347 1HG2 ILE 34 1HG2 ILE 34 -3.782 -0.145 -2.447 348 2HG2 ILE 34 2HG2 ILE 34 -4.839 0.843 -3.455 349 3HG2 ILE 34 3HG2 ILE 34 -4.835 1.059 -1.706 350 1HD1 ILE 34 1HD1 ILE 34 -2.308 2.938 0.497 351 2HD1 ILE 34 2HD1 ILE 34 -3.918 2.613 -0.148 352 3HD1 ILE 34 3HD1 ILE 34 -2.944 3.919 -0.824 353 H ASP 35 HN ASP 35 -1.767 3.342 -5.650 354 HA ASP 35 HA ASP 35 0.722 4.168 -4.332 355 1HB ASP 35 2HB ASP 35 1.345 3.224 -6.416 356 2HB ASP 35 1HB ASP 35 0.043 4.039 -7.263 357 H ALA 36 HN ALA 36 0.930 6.176 -3.750 358 HA ALA 36 HA ALA 36 -0.853 8.227 -4.832 359 1HB ALA 36 1HB ALA 36 -1.296 9.086 -2.565 360 2HB ALA 36 2HB ALA 36 -0.437 7.703 -1.885 361 3HB ALA 36 3HB ALA 36 -1.932 7.456 -2.790 362 HA PRO 37 HA PRO 37 2.859 10.535 -5.035 363 1HB PRO 37 2HB PRO 37 1.982 13.083 -4.857 364 2HB PRO 37 1HB PRO 37 1.644 12.054 -6.254 365 1HG PRO 37 2HG PRO 37 -0.110 12.711 -3.915 366 2HG PRO 37 1HG PRO 37 -0.520 12.650 -5.641 367 1HD PRO 37 2HD PRO 37 -1.082 10.632 -3.914 368 2HD PRO 37 1HD PRO 37 -0.737 10.363 -5.635 369 H LYS 38 HN LYS 38 2.049 9.670 -2.291 370 HA LYS 38 HA LYS 38 2.870 9.843 -0.193 371 1HB LYS 38 2HB LYS 38 4.815 11.342 -1.815 372 2HB LYS 38 1HB LYS 38 4.873 11.626 -0.080 373 1HG LYS 38 2HG LYS 38 4.916 8.884 -1.300 374 2HG LYS 38 1HG LYS 38 6.375 9.812 -0.932 375 1HD LYS 38 2HD LYS 38 4.283 9.395 1.164 376 2HD LYS 38 1HD LYS 38 5.446 8.113 0.807 377 1HE LYS 38 2HE LYS 38 6.398 9.352 2.581 378 2HE LYS 38 1HE LYS 38 7.267 9.837 1.119 379 1HZ LYS 38 1HZ LYS 38 6.752 11.760 2.447 380 2HZ LYS 38 2HZ LYS 38 5.103 11.373 2.473 381 3HZ LYS 38 3HZ LYS 38 5.847 11.826 1.017 382 H HIS 39 HN HIS 39 0.850 11.840 -1.285 383 HA HIS 39 HA HIS 39 0.839 14.075 0.394 384 1HB HIS 39 2HB HIS 39 -1.541 14.151 0.020 385 2HB HIS 39 1HB HIS 39 -0.801 13.564 -1.469 386 HD1 HIS 39 1HD HIS 39 -0.408 10.624 -0.235 387 HD2 HIS 39 2HD HIS 39 -3.951 12.764 -0.396 388 HE1 HIS 39 1HE HIS 39 -2.207 8.932 0.016 389 HE2 HIS 39 2HE HIS 39 -4.358 10.251 0.052 390 H ILE 40 HN ILE 40 -1.112 14.116 2.130 391 HA ILE 40 HA ILE 40 -0.374 12.363 4.273 392 HB ILE 40 HB ILE 40 -1.968 13.570 5.623 393 1HG1 ILE 40 2HG1 ILE 40 -3.649 13.680 3.657 394 2HG1 ILE 40 1HG1 ILE 40 -3.638 15.003 4.826 395 1HG2 ILE 40 1HG2 ILE 40 -0.470 15.453 3.809 396 2HG2 ILE 40 2HG2 ILE 40 0.161 14.665 5.253 397 3HG2 ILE 40 3HG2 ILE 40 -1.126 15.863 5.393 398 1HD1 ILE 40 1HD1 ILE 40 -2.517 14.988 2.035 399 2HD1 ILE 40 2HD1 ILE 40 -2.201 16.271 3.199 400 3HD1 ILE 40 3HD1 ILE 40 -3.850 15.949 2.664 401 H ASP 41 HN ASP 41 -1.857 10.977 5.375 402 HA ASP 41 HA ASP 41 -3.724 9.765 3.479 403 1HB ASP 41 2HB ASP 41 -3.452 7.705 4.840 404 2HB ASP 41 1HB ASP 41 -1.932 8.326 4.194 405 H ILE 42 HN ILE 42 -5.692 10.437 3.721 406 HA ILE 42 HA ILE 42 -6.666 11.515 6.212 407 HB ILE 42 HB ILE 42 -8.125 11.111 3.593 408 1HG1 ILE 42 2HG1 ILE 42 -6.125 12.525 3.345 409 2HG1 ILE 42 1HG1 ILE 42 -7.606 13.449 3.121 410 1HG2 ILE 42 1HG2 ILE 42 -9.638 12.864 4.434 411 2HG2 ILE 42 2HG2 ILE 42 -8.778 12.842 5.972 412 3HG2 ILE 42 3HG2 ILE 42 -9.657 11.412 5.435 413 1HD1 ILE 42 1HD1 ILE 42 -6.001 14.714 4.411 414 2HD1 ILE 42 2HD1 ILE 42 -5.885 13.410 5.590 415 3HD1 ILE 42 3HD1 ILE 42 -7.393 14.308 5.413 416 H HIS 43 HN HIS 43 -8.200 10.636 7.558 417 HA HIS 43 HA HIS 43 -9.466 8.103 6.747 418 1HB HIS 43 2HB HIS 43 -8.446 8.500 9.554 419 2HB HIS 43 1HB HIS 43 -9.050 7.022 8.812 420 HD1 HIS 43 1HD HIS 43 -6.105 7.956 10.129 421 HD2 HIS 43 2HD HIS 43 -7.091 6.830 6.239 422 HE1 HIS 43 1HE HIS 43 -3.967 7.166 9.093 423 HE2 HIS 43 2HE HIS 43 -4.530 6.769 6.683 424 H ARG 44 HN ARG 44 -11.344 7.581 8.244 425 HA ARG 44 HA ARG 44 -12.834 10.010 8.785 426 1HB ARG 44 2HB ARG 44 -13.674 7.211 9.524 427 2HB ARG 44 1HB ARG 44 -14.699 8.611 9.264 428 1HG ARG 44 2HG ARG 44 -14.241 8.547 6.888 429 2HG ARG 44 1HG ARG 44 -13.121 7.199 7.123 430 1HD ARG 44 2HD ARG 44 -15.095 5.994 8.203 431 2HD ARG 44 1HD ARG 44 -16.101 7.247 7.480 432 HE ARG 44 HE ARG 44 -15.189 6.498 5.291 433 1HH1 ARG 44 1HH1 ARG 44 -15.045 4.359 8.061 434 2HH1 ARG 44 2HH1 ARG 44 -15.167 2.903 7.112 435 1HH2 ARG 44 1HH2 ARG 44 -15.335 4.572 4.026 436 2HH2 ARG 44 2HH2 ARG 44 -15.341 3.028 4.820 437 H LYS 45 HN LYS 45 -12.303 7.103 10.748 438 HA LYS 45 HA LYS 45 -11.061 8.513 12.905 439 1HB LYS 45 2HB LYS 45 -12.793 8.177 14.599 440 2HB LYS 45 1HB LYS 45 -13.375 9.224 13.317 441 1HG LYS 45 2HG LYS 45 -13.976 6.288 13.299 442 2HG LYS 45 1HG LYS 45 -14.940 7.411 14.256 443 1HD LYS 45 2HD LYS 45 -15.473 8.684 12.243 444 2HD LYS 45 1HD LYS 45 -14.472 7.598 11.280 445 1HE LYS 45 2HE LYS 45 -16.919 6.779 12.842 446 2HE LYS 45 1HE LYS 45 -16.881 7.088 11.107 447 1HZ LYS 45 1HZ LYS 45 -15.199 5.293 10.928 448 2HZ LYS 45 2HZ LYS 45 -16.708 4.752 11.468 449 3HZ LYS 45 3HZ LYS 45 -15.441 4.941 12.571 450 H GLU 46 HN GLU 46 -11.285 5.947 11.112 451 HA GLU 46 HA GLU 46 -10.654 4.007 13.242 452 1HB GLU 46 2HB GLU 46 -11.994 2.328 12.153 453 2HB GLU 46 1HB GLU 46 -13.005 3.743 12.400 454 1HG GLU 46 2HG GLU 46 -11.641 3.042 9.804 455 2HG GLU 46 1HG GLU 46 -13.318 2.670 10.190 456 H ILE 47 HN ILE 47 -9.278 5.651 11.008 457 HA ILE 47 HA ILE 47 -8.215 5.535 9.035 458 HB ILE 47 HB ILE 47 -6.293 4.221 8.852 459 1HG1 ILE 47 2HG1 ILE 47 -7.249 2.440 11.106 460 2HG1 ILE 47 1HG1 ILE 47 -7.330 2.004 9.403 461 1HG2 ILE 47 1HG2 ILE 47 -6.186 5.927 10.558 462 2HG2 ILE 47 2HG2 ILE 47 -5.219 4.537 11.050 463 3HG2 ILE 47 3HG2 ILE 47 -6.809 4.802 11.765 464 1HD1 ILE 47 1HD1 ILE 47 -4.977 1.945 9.212 465 2HD1 ILE 47 2HD1 ILE 47 -5.398 1.058 10.680 466 3HD1 ILE 47 3HD1 ILE 47 -4.763 2.699 10.797 467 H TYR 48 HN TYR 48 -9.267 5.234 7.270 468 HA TYR 48 HA TYR 48 -10.591 2.716 6.811 469 1HB TYR 48 2HB TYR 48 -11.828 3.859 5.081 470 2HB TYR 48 1HB TYR 48 -11.813 4.806 6.558 471 HD1 TYR 48 1HD TYR 48 -9.063 4.756 4.060 472 HD2 TYR 48 2HD TYR 48 -12.366 6.874 5.690 473 HE1 TYR 48 1HE TYR 48 -8.458 6.723 2.713 474 HE2 TYR 48 2HE TYR 48 -11.758 8.854 4.376 475 HH TYR 48 HH TYR 48 -9.646 9.778 3.297 476 H LEU 49 HN LEU 49 -7.613 3.838 6.220 477 HA LEU 49 HA LEU 49 -7.366 2.779 3.496 478 1HB LEU 49 2HB LEU 49 -6.095 4.960 4.988 479 2HB LEU 49 1HB LEU 49 -4.955 3.935 4.138 480 HG LEU 49 HG LEU 49 -7.319 5.217 2.783 481 1HD1 LEU 49 1HD1 LEU 49 -4.481 6.208 2.998 482 2HD1 LEU 49 2HD1 LEU 49 -5.915 6.982 3.670 483 3HD1 LEU 49 3HD1 LEU 49 -5.712 6.866 1.923 484 1HD2 LEU 49 1HD2 LEU 49 -6.373 3.266 1.672 485 2HD2 LEU 49 2HD2 LEU 49 -4.766 3.992 1.750 486 3HD2 LEU 49 3HD2 LEU 49 -6.027 4.739 0.769 487 H THR 50 HN THR 50 -5.018 3.117 6.085 488 HA THR 50 HA THR 50 -3.808 1.626 7.276 489 HB THR 50 HB THR 50 -5.635 -0.427 6.059 490 HG1 THR 50 1HG THR 50 -6.630 -0.295 8.167 491 1HG2 THR 50 1HG2 THR 50 -4.916 -1.903 7.876 492 2HG2 THR 50 2HG2 THR 50 -3.791 -0.665 8.437 493 3HG2 THR 50 3HG2 THR 50 -3.544 -1.436 6.869 494 H ILE 51 HN ILE 51 -4.391 0.966 3.906 495 HA ILE 51 HA ILE 51 -2.208 -0.731 3.393 496 HB ILE 51 HB ILE 51 -3.089 1.195 1.267 497 1HG1 ILE 51 2HG1 ILE 51 -4.781 -1.098 2.304 498 2HG1 ILE 51 1HG1 ILE 51 -5.143 0.612 2.541 499 1HG2 ILE 51 1HG2 ILE 51 -2.585 -1.776 1.314 500 2HG2 ILE 51 2HG2 ILE 51 -1.463 -0.537 0.748 501 3HG2 ILE 51 3HG2 ILE 51 -2.978 -0.817 -0.113 502 1HD1 ILE 51 1HD1 ILE 51 -5.398 0.889 0.134 503 2HD1 ILE 51 2HD1 ILE 51 -6.479 -0.357 0.755 504 3HD1 ILE 51 3HD1 ILE 51 -5.010 -0.814 -0.106 505 H GLN 52 HN GLN 52 -2.453 2.743 2.538 506 HA GLN 52 HA GLN 52 0.437 2.928 2.468 507 1HB GLN 52 2HB GLN 52 0.120 5.241 1.803 508 2HB GLN 52 1HB GLN 52 -0.911 4.190 0.837 509 1HG GLN 52 2HG GLN 52 -2.843 4.834 2.089 510 2HG GLN 52 1HG GLN 52 -1.854 5.728 3.243 511 1HE2 GLN 52 1HE2 GLN 52 -2.898 7.675 2.861 512 2HE2 GLN 52 2HE2 GLN 52 -2.757 8.536 1.376 513 H GLU 53 HN GLU 53 -1.771 2.943 4.903 514 HA GLU 53 HA GLU 53 -0.519 4.987 6.534 515 1HB GLU 53 2HB GLU 53 -2.998 4.047 6.575 516 2HB GLU 53 1HB GLU 53 -2.301 2.862 7.667 517 1HG GLU 53 2HG GLU 53 -2.294 5.851 8.041 518 2HG GLU 53 1HG GLU 53 -3.352 4.707 8.859 519 H GLU 54 HN GLU 54 -0.765 1.460 6.423 520 HA GLU 54 HA GLU 54 1.233 0.766 8.220 521 1HB GLU 54 2HB GLU 54 -0.001 -0.450 5.797 522 2HB GLU 54 1HB GLU 54 1.542 -1.130 6.331 523 1HG GLU 54 2HG GLU 54 -0.903 -0.833 8.059 524 2HG GLU 54 1HG GLU 54 -0.414 -2.317 7.237 525 H ASN 55 HN ASN 55 1.430 1.612 4.792 526 HA ASN 55 HA ASN 55 4.327 1.513 4.865 527 1HB ASN 55 2HB ASN 55 3.054 0.743 2.866 528 2HB ASN 55 1HB ASN 55 2.490 2.389 2.627 529 1HD2 ASN 55 1HD2 ASN 55 5.171 0.214 2.371 530 2HD2 ASN 55 2HD2 ASN 55 6.187 1.261 1.446 531 H ASN 56 HN ASN 56 2.911 3.990 2.969 532 HA ASN 56 HA ASN 56 3.212 6.234 2.875 533 1HB ASN 56 2HB ASN 56 2.073 6.107 5.138 534 2HB ASN 56 1HB ASN 56 3.682 6.165 5.856 535 1HD2 ASN 56 1HD2 ASN 56 1.504 8.032 6.160 536 2HD2 ASN 56 2HD2 ASN 56 2.081 9.569 5.598 537 H ARG 57 HN ARG 57 5.405 4.875 5.259 538 HA ARG 57 HA ARG 57 7.675 6.332 4.117 539 1HB ARG 57 2HB ARG 57 8.740 5.388 6.320 540 2HB ARG 57 1HB ARG 57 7.638 6.756 6.407 541 1HG ARG 57 2HG ARG 57 5.798 5.169 6.917 542 2HG ARG 57 1HG ARG 57 6.991 3.873 6.984 543 1HD ARG 57 2HD ARG 57 7.061 6.342 8.703 544 2HD ARG 57 1HD ARG 57 6.328 4.818 9.192 545 HE ARG 57 HE ARG 57 8.808 4.037 8.560 546 1HH1 ARG 57 1HH1 ARG 57 7.674 6.771 10.433 547 2HH1 ARG 57 2HH1 ARG 57 9.008 6.728 11.548 548 1HH2 ARG 57 1HH2 ARG 57 10.564 3.972 10.018 549 2HH2 ARG 57 2HH2 ARG 57 10.661 5.135 11.310 550 H ALA 58 HN ALA 58 7.280 3.170 5.717 551 HA ALA 58 HA ALA 58 8.052 1.665 3.428 552 1HB ALA 58 1HB ALA 58 10.086 1.914 5.644 553 2HB ALA 58 2HB ALA 58 10.257 2.541 4.004 554 3HB ALA 58 3HB ALA 58 10.181 0.800 4.281 555 H ALA 59 HN ALA 59 6.288 0.410 3.883 556 HA ALA 59 HA ALA 59 5.835 -0.728 6.489 557 1HB ALA 59 1HB ALA 59 3.960 -0.137 5.038 558 2HB ALA 59 2HB ALA 59 3.939 -1.851 5.455 559 3HB ALA 59 3HB ALA 59 4.491 -1.337 3.860 560 H ALA 60 HN ALA 60 5.604 -3.004 6.879 561 HA ALA 60 HA ALA 60 7.288 -4.734 5.181 562 1HB ALA 60 1HB ALA 60 8.349 -4.337 7.361 563 2HB ALA 60 2HB ALA 60 7.860 -6.024 7.182 564 3HB ALA 60 3HB ALA 60 6.898 -4.926 8.173 565 H LEU 61 HN LEU 61 6.628 -7.151 5.621 566 HA LEU 61 HA LEU 61 5.117 -8.760 5.172 567 1HB LEU 61 2HB LEU 61 4.253 -8.235 7.356 568 2HB LEU 61 1HB LEU 61 3.293 -6.926 6.704 569 HG LEU 61 HG LEU 61 2.031 -8.650 5.360 570 1HD1 LEU 61 1HD1 LEU 61 3.497 -10.549 7.182 571 2HD1 LEU 61 2HD1 LEU 61 3.649 -10.446 5.427 572 3HD1 LEU 61 3HD1 LEU 61 2.127 -10.967 6.150 573 1HD2 LEU 61 1HD2 LEU 61 1.919 -8.869 8.363 574 2HD2 LEU 61 2HD2 LEU 61 0.643 -9.349 7.244 575 3HD2 LEU 61 3HD2 LEU 61 1.109 -7.654 7.375 576 H SER 62 HN SER 62 3.956 -9.322 3.427 577 HA SER 62 HA SER 62 3.024 -9.146 1.364 578 1HB SER 62 2HB SER 62 1.641 -6.819 2.700 579 2HB SER 62 1HB SER 62 1.181 -7.475 1.127 580 HG SER 62 HG SER 62 1.295 -8.989 3.527 581 H SER 63 HN SER 63 5.487 -7.629 2.120 582 HA SER 63 HA SER 63 5.875 -6.318 -0.386 583 1HB SER 63 2HB SER 63 5.951 -4.652 2.149 584 2HB SER 63 1HB SER 63 6.617 -4.135 0.603 585 HG SER 63 HG SER 63 3.948 -4.984 0.685 586 H ASP 64 HN ASP 64 7.269 -5.993 2.847 587 HA ASP 64 HA ASP 64 9.327 -6.414 3.708 588 1HB ASP 64 2HB ASP 64 9.000 -8.846 1.960 589 2HB ASP 64 1HB ASP 64 10.087 -8.723 3.341 590 H VAL 65 HN VAL 65 9.441 -4.701 1.557 591 HA VAL 65 HA VAL 65 11.108 -5.310 -0.568 592 HB VAL 65 HB VAL 65 10.934 -2.663 0.874 593 1HG1 VAL 65 1HG1 VAL 65 11.462 -1.692 -1.314 594 2HG1 VAL 65 2HG1 VAL 65 11.595 -3.308 -2.004 595 3HG1 VAL 65 3HG1 VAL 65 12.742 -2.780 -0.776 596 1HG2 VAL 65 1HG2 VAL 65 8.706 -3.495 0.352 597 2HG2 VAL 65 2HG2 VAL 65 9.181 -3.764 -1.324 598 3HG2 VAL 65 3HG2 VAL 65 9.114 -2.123 -0.679 599 H ILE 66 HN ILE 66 12.173 -3.187 2.041 600 HA ILE 66 HA ILE 66 14.702 -4.656 2.235 601 HB ILE 66 HB ILE 66 14.562 -1.636 2.078 602 1HG1 ILE 66 2HG1 ILE 66 15.615 -3.563 -0.006 603 2HG1 ILE 66 1HG1 ILE 66 14.062 -2.743 -0.115 604 1HG2 ILE 66 1HG2 ILE 66 17.002 -1.787 1.957 605 2HG2 ILE 66 2HG2 ILE 66 16.898 -3.541 2.120 606 3HG2 ILE 66 3HG2 ILE 66 16.378 -2.500 3.444 607 1HD1 ILE 66 1HD1 ILE 66 15.728 -1.635 -1.475 608 2HD1 ILE 66 2HD1 ILE 66 16.768 -1.428 -0.064 609 3HD1 ILE 66 3HD1 ILE 66 15.218 -0.585 -0.150 610 H SER 67 HN SER 67 12.703 -2.039 3.513 611 HA SER 67 HA SER 67 12.033 -1.478 5.587 612 1HB SER 67 2HB SER 67 11.511 -3.814 5.973 613 2HB SER 67 1HB SER 67 13.194 -4.164 6.350 614 HG SER 67 HG SER 67 12.483 -3.840 8.322 615 H ALA 68 HN ALA 68 15.004 -3.223 6.538 616 HA ALA 68 HA ALA 68 15.978 -0.862 7.877 617 1HB ALA 68 1HB ALA 68 16.385 -3.091 8.810 618 2HB ALA 68 2HB ALA 68 17.896 -2.241 8.482 619 3HB ALA 68 3HB ALA 68 17.341 -3.507 7.387 620 H LEU 69 HN LEU 69 17.003 0.732 6.921 621 HA LEU 69 HA LEU 69 18.236 1.960 5.464 622 1HB LEU 69 2HB LEU 69 19.651 -0.642 4.849 623 2HB LEU 69 1HB LEU 69 20.254 0.975 4.527 624 HG LEU 69 HG LEU 69 19.730 -0.143 7.284 625 1HD1 LEU 69 1HD1 LEU 69 22.142 -0.324 7.492 626 2HD1 LEU 69 2HD1 LEU 69 22.352 0.256 5.840 627 3HD1 LEU 69 3HD1 LEU 69 21.574 -1.298 6.136 628 1HD2 LEU 69 1HD2 LEU 69 21.085 2.397 6.371 629 2HD2 LEU 69 2HD2 LEU 69 21.006 1.821 8.035 630 3HD2 LEU 69 3HD2 LEU 69 19.528 2.278 7.191 631 H SER 70 HN SER 70 16.201 2.112 4.266 632 HA SER 70 HA SER 70 15.629 0.243 2.173 633 1HB SER 70 2HB SER 70 14.355 2.937 2.665 634 2HB SER 70 1HB SER 70 13.663 1.569 1.797 635 HG SER 70 HG SER 70 14.362 0.706 4.204 636 H SER 71 HN SER 71 18.168 1.723 1.938 637 HA SER 71 HA SER 71 17.925 2.372 -0.869 638 1HB SER 71 2HB SER 71 19.079 4.396 1.074 639 2HB SER 71 1HB SER 71 19.024 4.556 -0.683 640 HG SER 71 HG SER 71 16.565 4.065 0.031 641 H GLN 72 HN GLN 72 19.119 0.339 0.839 642 HA GLN 72 HA GLN 72 21.830 0.864 1.347 643 1HB GLN 72 2HB GLN 72 21.910 -1.760 1.399 644 2HB GLN 72 1HB GLN 72 21.107 -0.847 2.662 645 1HG GLN 72 2HG GLN 72 19.788 -2.760 2.038 646 2HG GLN 72 1HG GLN 72 18.947 -1.277 1.600 647 1HE2 GLN 72 1HE2 GLN 72 20.678 -4.055 0.411 648 2HE2 GLN 72 2HE2 GLN 72 20.101 -3.956 -1.221 649 H LYS 73 HN LYS 73 23.651 0.479 0.306 650 HA LYS 73 HA LYS 73 23.531 -0.410 -2.460 651 1HB LYS 73 2HB LYS 73 25.857 0.342 -2.604 652 2HB LYS 73 1HB LYS 73 24.826 1.610 -1.968 653 1HG LYS 73 2HG LYS 73 26.446 -0.165 -0.172 654 2HG LYS 73 1HG LYS 73 27.100 1.308 -0.886 655 1HD LYS 73 2HD LYS 73 25.316 2.613 0.160 656 2HD LYS 73 1HD LYS 73 24.648 1.142 0.864 657 1HE LYS 73 2HE LYS 73 26.692 0.819 2.151 658 2HE LYS 73 1HE LYS 73 27.391 2.266 1.423 659 1HZ LYS 73 1HZ LYS 73 25.084 2.101 3.278 660 2HZ LYS 73 2HZ LYS 73 25.447 3.498 2.392 661 3HZ LYS 73 3HZ LYS 73 26.560 2.898 3.523 662 H LYS 74 HN LYS 74 24.216 -2.372 -3.100 663 HA LYS 74 HA LYS 74 25.895 -3.988 -1.362 664 1HB LYS 74 2HB LYS 74 23.400 -4.361 -0.803 665 2HB LYS 74 1HB LYS 74 23.292 -5.136 -2.375 666 1HG LYS 74 2HG LYS 74 25.173 -6.006 -0.190 667 2HG LYS 74 1HG LYS 74 23.574 -6.694 -0.456 668 1HD LYS 74 2HD LYS 74 25.673 -6.647 -2.611 669 2HD LYS 74 1HD LYS 74 25.584 -7.946 -1.422 670 1HE LYS 74 2HE LYS 74 24.437 -8.612 -3.436 671 2HE LYS 74 1HE LYS 74 23.266 -8.399 -2.141 672 1HZ LYS 74 1HZ LYS 74 23.833 -6.263 -4.116 673 2HZ LYS 74 2HZ LYS 74 22.496 -6.412 -3.076 674 3HZ LYS 74 3HZ LYS 74 22.667 -7.465 -4.394 Start of MODEL 7 1 H HIS -9 H HIS -9 9.665 14.672 -21.357 2 HA HIS -9 HA HIS -9 12.044 15.095 -23.069 3 1HB HIS -9 2HB HIS -9 11.343 16.119 -20.309 4 2HB HIS -9 1HB HIS -9 12.969 16.165 -20.974 5 HD1 HIS -9 1HD HIS -9 9.871 18.047 -20.801 6 HD2 HIS -9 2HD HIS -9 13.159 17.875 -23.338 7 HE1 HIS -9 1HE HIS -9 9.810 20.181 -22.133 8 HE2 HIS -9 2HE HIS -9 11.961 20.164 -23.457 9 H SER -8 HN SER -8 11.389 14.204 -19.691 10 HA SER -8 HA SER -8 12.697 11.633 -20.158 11 1HB SER -8 2HB SER -8 14.472 13.077 -19.332 12 2HB SER -8 1HB SER -8 13.457 13.607 -17.991 13 HG SER -8 HG SER -8 15.020 11.393 -18.209 14 H SER -7 HN SER -7 11.226 10.197 -19.613 15 HA SER -7 HA SER -7 9.419 10.712 -17.373 16 1HB SER -7 2HB SER -7 9.515 8.341 -19.267 17 2HB SER -7 1HB SER -7 8.227 8.713 -18.120 18 HG SER -7 HG SER -7 9.027 10.389 -20.276 19 H GLY -6 HN GLY -6 12.413 9.394 -17.986 20 1HA GLY -6 2HA GLY -6 12.455 7.353 -15.978 21 2HA GLY -6 1HA GLY -6 13.855 8.121 -16.714 22 H HIS -5 HN HIS -5 11.911 10.528 -15.695 23 HA HIS -5 HA HIS -5 13.467 11.239 -13.429 24 1HB HIS -5 2HB HIS -5 12.320 12.881 -14.917 25 2HB HIS -5 1HB HIS -5 10.771 12.309 -14.321 26 HD1 HIS -5 1HD HIS -5 13.172 14.902 -13.801 27 HD2 HIS -5 2HD HIS -5 10.616 12.727 -11.368 28 HE1 HIS -5 1HE HIS -5 12.950 16.246 -11.685 29 HE2 HIS -5 2HE HIS -5 11.188 15.036 -10.354 30 H ILE -4 HN ILE -4 13.337 10.195 -11.567 31 HA ILE -4 HA ILE -4 11.069 8.500 -11.040 32 HB ILE -4 HB ILE -4 13.277 7.605 -10.635 33 1HG1 ILE -4 2HG1 ILE -4 12.994 6.863 -8.252 34 2HG1 ILE -4 1HG1 ILE -4 11.677 8.023 -8.104 35 1HG2 ILE -4 1HG2 ILE -4 13.609 9.774 -8.575 36 2HG2 ILE -4 2HG2 ILE -4 14.473 9.642 -10.105 37 3HG2 ILE -4 3HG2 ILE -4 14.724 8.435 -8.844 38 1HD1 ILE -4 1HD1 ILE -4 10.815 5.802 -8.513 39 2HD1 ILE -4 2HD1 ILE -4 11.775 5.677 -9.985 40 3HD1 ILE -4 3HD1 ILE -4 10.466 6.853 -9.885 41 H GLU -3 HN GLU -3 9.326 9.188 -10.058 42 HA GLU -3 HA GLU -3 9.372 11.447 -8.249 43 1HB GLU -3 2HB GLU -3 7.142 9.623 -9.173 44 2HB GLU -3 1HB GLU -3 6.911 10.960 -8.057 45 1HG GLU -3 2HG GLU -3 7.958 11.230 -10.866 46 2HG GLU -3 1HG GLU -3 6.283 11.495 -10.379 47 H GLY -2 HN GLY -2 9.241 11.346 -6.052 48 1HA GLY -2 2HA GLY -2 9.825 8.828 -4.793 49 2HA GLY -2 1HA GLY -2 9.587 10.370 -3.981 50 H ARG -1 HN ARG -1 7.712 7.963 -5.805 51 HA ARG -1 HA ARG -1 5.331 8.615 -4.258 52 1HB ARG -1 2HB ARG -1 4.109 7.332 -5.824 53 2HB ARG -1 1HB ARG -1 5.330 8.164 -6.780 54 1HG ARG -1 2HG ARG -1 6.686 6.158 -6.863 55 2HG ARG -1 1HG ARG -1 5.546 5.322 -5.804 56 1HD ARG -1 2HD ARG -1 5.173 4.652 -8.092 57 2HD ARG -1 1HD ARG -1 3.799 5.594 -7.517 58 HE ARG -1 HE ARG -1 5.918 6.817 -9.161 59 1HH1 ARG -1 1HH1 ARG -1 2.560 6.057 -8.547 60 2HH1 ARG -1 2HH1 ARG -1 1.973 7.036 -9.858 61 1HH2 ARG -1 1HH2 ARG -1 5.162 8.107 -10.889 62 2HH2 ARG -1 2HH2 ARG -1 3.444 8.212 -11.192 63 H HIS 0 HN HIS 0 4.012 6.753 -3.407 64 HA HIS 0 HA HIS 0 5.757 4.592 -2.478 65 1HB HIS 0 2HB HIS 0 4.581 4.512 -0.330 66 2HB HIS 0 1HB HIS 0 5.358 6.066 -0.578 67 HD1 HIS 0 1HD HIS 0 3.960 7.901 0.284 68 HD2 HIS 0 2HD HIS 0 1.638 4.806 -1.206 69 HE1 HIS 0 1HE HIS 0 1.579 8.610 0.650 70 HE2 HIS 0 2HE HIS 0 0.207 6.604 -0.025 71 H MET 1 HN MET 1 5.143 2.720 -3.256 72 HA MET 1 HA MET 1 2.255 2.266 -3.633 73 1HB MET 1 2HB MET 1 3.455 2.231 -5.775 74 2HB MET 1 1HB MET 1 4.554 1.013 -5.151 75 1HG MET 1 2HG MET 1 2.670 -0.542 -4.903 76 2HG MET 1 1HG MET 1 1.597 0.678 -5.589 77 1HE MET 1 1HE MET 1 3.045 1.015 -9.236 78 2HE MET 1 2HE MET 1 3.546 1.954 -7.828 79 3HE MET 1 3HE MET 1 1.838 1.602 -8.091 80 H LEU 2 HN LEU 2 1.547 1.125 -1.959 81 HA LEU 2 HA LEU 2 3.315 -0.925 -0.847 82 1HB LEU 2 2HB LEU 2 2.253 0.913 0.608 83 2HB LEU 2 1HB LEU 2 0.760 0.026 0.400 84 HG LEU 2 HG LEU 2 2.092 -0.372 2.550 85 1HD1 LEU 2 1HD1 LEU 2 1.544 -2.754 2.619 86 2HD1 LEU 2 2HD1 LEU 2 1.309 -2.746 0.872 87 3HD1 LEU 2 3HD1 LEU 2 0.241 -1.802 1.908 88 1HD2 LEU 2 1HD2 LEU 2 3.756 -2.046 0.677 89 2HD2 LEU 2 2HD2 LEU 2 3.866 -2.027 2.438 90 3HD2 LEU 2 3HD2 LEU 2 4.292 -0.588 1.513 91 H VAL 3 HN VAL 3 2.597 -3.073 -0.663 92 HA VAL 3 HA VAL 3 0.490 -3.677 -2.582 93 HB VAL 3 HB VAL 3 1.676 -5.968 -2.507 94 1HG1 VAL 3 1HG1 VAL 3 3.241 -5.243 -4.238 95 2HG1 VAL 3 2HG1 VAL 3 3.030 -3.572 -3.722 96 3HG1 VAL 3 3HG1 VAL 3 1.678 -4.453 -4.427 97 1HG2 VAL 3 1HG2 VAL 3 4.060 -5.860 -1.983 98 2HG2 VAL 3 2HG2 VAL 3 3.076 -5.524 -0.558 99 3HG2 VAL 3 3HG2 VAL 3 3.857 -4.199 -1.422 100 H LEU 4 HN LEU 4 -1.341 -4.512 -1.915 101 HA LEU 4 HA LEU 4 -1.468 -5.892 0.689 102 1HB LEU 4 2HB LEU 4 -3.117 -3.874 -0.468 103 2HB LEU 4 1HB LEU 4 -4.055 -5.350 -0.429 104 HG LEU 4 HG LEU 4 -2.945 -3.784 1.898 105 1HD1 LEU 4 1HD1 LEU 4 -5.263 -3.950 2.660 106 2HD1 LEU 4 2HD1 LEU 4 -5.677 -4.851 1.200 107 3HD1 LEU 4 3HD1 LEU 4 -5.137 -3.177 1.080 108 1HD2 LEU 4 1HD2 LEU 4 -3.701 -5.636 3.356 109 2HD2 LEU 4 2HD2 LEU 4 -2.316 -6.074 2.362 110 3HD2 LEU 4 3HD2 LEU 4 -3.927 -6.643 1.927 111 H SER 5 HN SER 5 -2.207 -8.008 0.695 112 HA SER 5 HA SER 5 -2.240 -9.237 -1.926 113 1HB SER 5 2HB SER 5 -2.307 -10.535 0.806 114 2HB SER 5 1HB SER 5 -1.994 -11.342 -0.733 115 HG SER 5 HG SER 5 0.016 -10.755 -0.556 116 H ARG 6 HN ARG 6 -4.119 -9.198 -2.942 117 HA ARG 6 HA ARG 6 -6.531 -10.138 -1.577 118 1HB ARG 6 2HB ARG 6 -6.501 -7.639 -1.459 119 2HB ARG 6 1HB ARG 6 -6.396 -7.582 -3.208 120 1HG ARG 6 2HG ARG 6 -8.636 -7.156 -2.708 121 2HG ARG 6 1HG ARG 6 -8.598 -8.837 -3.239 122 1HD ARG 6 2HD ARG 6 -8.712 -9.614 -0.962 123 2HD ARG 6 1HD ARG 6 -8.563 -7.966 -0.349 124 HE ARG 6 HE ARG 6 -10.795 -7.992 -2.004 125 1HH1 ARG 6 1HH1 ARG 6 -9.794 -9.521 1.001 126 2HH1 ARG 6 2HH1 ARG 6 -11.421 -9.699 1.583 127 1HH2 ARG 6 1HH2 ARG 6 -12.897 -8.217 -1.234 128 2HH2 ARG 6 2HH2 ARG 6 -13.186 -8.970 0.308 129 H LYS 7 HN LYS 7 -7.351 -11.707 -2.804 130 HA LYS 7 HA LYS 7 -6.228 -11.989 -5.492 131 1HB LYS 7 2HB LYS 7 -7.407 -13.955 -3.539 132 2HB LYS 7 1HB LYS 7 -7.115 -14.381 -5.219 133 1HG LYS 7 2HG LYS 7 -5.110 -15.037 -4.514 134 2HG LYS 7 1HG LYS 7 -4.703 -13.327 -4.470 135 1HD LYS 7 2HD LYS 7 -5.933 -14.727 -2.114 136 2HD LYS 7 1HD LYS 7 -4.192 -14.750 -2.399 137 1HE LYS 7 2HE LYS 7 -4.060 -12.355 -2.248 138 2HE LYS 7 1HE LYS 7 -5.826 -12.236 -2.212 139 1HZ LYS 7 1HZ LYS 7 -4.897 -11.991 0.005 140 2HZ LYS 7 2HZ LYS 7 -4.150 -13.507 -0.110 141 3HZ LYS 7 3HZ LYS 7 -5.841 -13.397 -0.085 142 H ILE 8 HN ILE 8 -8.487 -10.275 -4.800 143 HA ILE 8 HA ILE 8 -10.690 -11.565 -6.236 144 HB ILE 8 HB ILE 8 -10.818 -8.899 -4.825 145 1HG1 ILE 8 2HG1 ILE 8 -10.019 -10.619 -3.221 146 2HG1 ILE 8 1HG1 ILE 8 -11.626 -10.019 -2.822 147 1HG2 ILE 8 1HG2 ILE 8 -12.631 -9.453 -6.376 148 2HG2 ILE 8 2HG2 ILE 8 -13.203 -9.375 -4.710 149 3HG2 ILE 8 3HG2 ILE 8 -12.942 -10.941 -5.480 150 1HD1 ILE 8 1HD1 ILE 8 -12.617 -12.024 -3.781 151 2HD1 ILE 8 2HD1 ILE 8 -11.457 -12.423 -2.512 152 3HD1 ILE 8 3HD1 ILE 8 -11.011 -12.616 -4.207 153 H ASN 9 HN ASN 9 -8.065 -9.561 -6.626 154 HA ASN 9 HA ASN 9 -7.524 -7.724 -7.886 155 1HB ASN 9 2HB ASN 9 -8.083 -8.260 -10.409 156 2HB ASN 9 1HB ASN 9 -6.872 -9.179 -9.528 157 1HD2 ASN 9 1HD2 ASN 9 -10.213 -9.201 -10.599 158 2HD2 ASN 9 2HD2 ASN 9 -10.365 -10.918 -10.687 159 H GLU 10 HN GLU 10 -9.626 -7.060 -6.559 160 HA GLU 10 HA GLU 10 -11.551 -5.790 -8.349 161 1HB GLU 10 2HB GLU 10 -12.710 -5.257 -6.189 162 2HB GLU 10 1HB GLU 10 -12.500 -6.983 -6.465 163 1HG GLU 10 2HG GLU 10 -10.585 -7.010 -4.969 164 2HG GLU 10 1HG GLU 10 -10.732 -5.276 -4.722 165 H ALA 11 HN ALA 11 -12.186 -3.534 -7.043 166 HA ALA 11 HA ALA 11 -9.648 -2.069 -6.827 167 1HB ALA 11 1HB ALA 11 -12.407 -0.963 -7.388 168 2HB ALA 11 2HB ALA 11 -11.167 -1.271 -8.604 169 3HB ALA 11 3HB ALA 11 -10.899 -0.050 -7.361 170 H ILE 12 HN ILE 12 -9.281 -0.784 -4.999 171 HA ILE 12 HA ILE 12 -11.067 -1.469 -2.767 172 HB ILE 12 HB ILE 12 -8.197 -0.529 -2.639 173 1HG1 ILE 12 2HG1 ILE 12 -8.328 -2.753 -3.626 174 2HG1 ILE 12 1HG1 ILE 12 -7.681 -2.854 -1.992 175 1HG2 ILE 12 1HG2 ILE 12 -8.295 -1.165 -0.293 176 2HG2 ILE 12 2HG2 ILE 12 -9.988 -1.627 -0.478 177 3HG2 ILE 12 3HG2 ILE 12 -9.508 0.062 -0.664 178 1HD1 ILE 12 1HD1 ILE 12 -9.875 -3.566 -1.176 179 2HD1 ILE 12 2HD1 ILE 12 -9.242 -4.652 -2.412 180 3HD1 ILE 12 3HD1 ILE 12 -10.502 -3.490 -2.824 181 H GLN 13 HN GLN 13 -12.467 0.043 -2.405 182 HA GLN 13 HA GLN 13 -11.667 2.872 -2.535 183 1HB GLN 13 2HB GLN 13 -13.512 2.400 -4.005 184 2HB GLN 13 1HB GLN 13 -14.359 1.511 -2.750 185 1HG GLN 13 2HG GLN 13 -15.443 3.601 -2.974 186 2HG GLN 13 1HG GLN 13 -14.534 3.650 -1.467 187 1HE2 GLN 13 1HE2 GLN 13 -12.672 4.949 -1.346 188 2HE2 GLN 13 2HE2 GLN 13 -12.384 6.219 -2.483 189 H ILE 14 HN ILE 14 -10.930 3.385 -0.567 190 HA ILE 14 HA ILE 14 -12.686 2.736 1.697 191 HB ILE 14 HB ILE 14 -10.675 3.256 3.158 192 1HG1 ILE 14 2HG1 ILE 14 -9.378 4.217 1.115 193 2HG1 ILE 14 1HG1 ILE 14 -8.505 3.263 2.307 194 1HG2 ILE 14 1HG2 ILE 14 -9.812 0.973 2.953 195 2HG2 ILE 14 2HG2 ILE 14 -10.627 0.815 1.395 196 3HG2 ILE 14 3HG2 ILE 14 -11.573 1.028 2.869 197 1HD1 ILE 14 1HD1 ILE 14 -9.505 2.289 -0.358 198 2HD1 ILE 14 2HD1 ILE 14 -8.642 1.318 0.835 199 3HD1 ILE 14 3HD1 ILE 14 -7.837 2.682 0.058 200 H GLY 15 HN GLY 15 -13.888 4.302 2.313 201 1HA GLY 15 2HA GLY 15 -14.445 6.363 3.193 202 2HA GLY 15 1HA GLY 15 -12.801 6.910 2.893 203 H ALA 16 HN ALA 16 -12.227 7.289 0.648 204 HA ALA 16 HA ALA 16 -13.823 7.619 -1.526 205 1HB ALA 16 1HB ALA 16 -15.276 9.085 -0.183 206 2HB ALA 16 2HB ALA 16 -14.519 9.964 -1.512 207 3HB ALA 16 3HB ALA 16 -13.904 10.148 0.130 208 H ASP 17 HN ASP 17 -11.346 8.852 0.532 209 HA ASP 17 HA ASP 17 -9.990 10.426 -1.412 210 1HB ASP 17 2HB ASP 17 -9.056 9.332 1.255 211 2HB ASP 17 1HB ASP 17 -8.166 10.496 0.271 212 H ILE 18 HN ILE 18 -9.861 7.054 -0.440 213 HA ILE 18 HA ILE 18 -7.688 6.720 -2.403 214 HB ILE 18 HB ILE 18 -8.082 5.051 0.084 215 1HG1 ILE 18 2HG1 ILE 18 -7.197 7.330 0.537 216 2HG1 ILE 18 1HG1 ILE 18 -6.028 6.066 0.898 217 1HG2 ILE 18 1HG2 ILE 18 -5.928 4.966 -2.027 218 2HG2 ILE 18 2HG2 ILE 18 -7.202 3.770 -1.802 219 3HG2 ILE 18 3HG2 ILE 18 -5.970 3.990 -0.557 220 1HD1 ILE 18 1HD1 ILE 18 -6.065 7.803 -1.559 221 2HD1 ILE 18 2HD1 ILE 18 -4.898 6.525 -1.223 222 3HD1 ILE 18 3HD1 ILE 18 -4.968 7.951 -0.187 223 H GLU 19 HN GLU 19 -8.696 6.005 -4.159 224 HA GLU 19 HA GLU 19 -9.749 3.269 -3.933 225 1HB GLU 19 2HB GLU 19 -11.684 4.701 -4.415 226 2HB GLU 19 1HB GLU 19 -10.833 5.412 -5.781 227 1HG GLU 19 2HG GLU 19 -10.770 3.206 -6.864 228 2HG GLU 19 1HG GLU 19 -11.686 2.537 -5.515 229 H VAL 20 HN VAL 20 -8.417 1.932 -5.016 230 HA VAL 20 HA VAL 20 -7.438 2.491 -7.617 231 HB VAL 20 HB VAL 20 -5.966 4.020 -6.357 232 1HG1 VAL 20 1HG1 VAL 20 -4.999 1.520 -4.981 233 2HG1 VAL 20 2HG1 VAL 20 -5.857 2.869 -4.239 234 3HG1 VAL 20 3HG1 VAL 20 -4.228 3.102 -4.876 235 1HG2 VAL 20 1HG2 VAL 20 -5.149 3.071 -8.421 236 2HG2 VAL 20 2HG2 VAL 20 -4.557 1.646 -7.566 237 3HG2 VAL 20 3HG2 VAL 20 -3.826 3.224 -7.267 238 H LYS 21 HN LYS 21 -6.690 0.674 -8.610 239 HA LYS 21 HA LYS 21 -5.826 -1.560 -6.933 240 1HB LYS 21 2HB LYS 21 -6.852 -3.048 -8.811 241 2HB LYS 21 1HB LYS 21 -7.846 -2.462 -7.493 242 1HG LYS 21 2HG LYS 21 -9.164 -2.186 -9.396 243 2HG LYS 21 1HG LYS 21 -8.539 -0.571 -9.056 244 1HD LYS 21 2HD LYS 21 -6.900 -0.786 -10.804 245 2HD LYS 21 1HD LYS 21 -7.326 -2.477 -11.056 246 1HE LYS 21 2HE LYS 21 -9.282 -0.224 -11.427 247 2HE LYS 21 1HE LYS 21 -8.251 -0.816 -12.730 248 1HZ LYS 21 1HZ LYS 21 -10.348 -1.898 -12.886 249 2HZ LYS 21 2HZ LYS 21 -10.329 -2.341 -11.252 250 3HZ LYS 21 3HZ LYS 21 -9.232 -3.052 -12.337 251 H VAL 22 HN VAL 22 -3.698 -1.408 -7.273 252 HA VAL 22 HA VAL 22 -2.800 -1.641 -10.071 253 HB VAL 22 HB VAL 22 -1.139 -1.123 -7.586 254 1HG1 VAL 22 1HG1 VAL 22 0.106 -2.277 -9.346 255 2HG1 VAL 22 2HG1 VAL 22 0.673 -0.618 -9.140 256 3HG1 VAL 22 3HG1 VAL 22 -0.368 -1.032 -10.502 257 1HG2 VAL 22 1HG2 VAL 22 -2.602 0.764 -8.120 258 2HG2 VAL 22 2HG2 VAL 22 -1.981 0.781 -9.770 259 3HG2 VAL 22 3HG2 VAL 22 -0.908 1.158 -8.420 260 H ILE 23 HN ILE 23 -2.730 -3.735 -10.699 261 HA ILE 23 HA ILE 23 -2.463 -5.754 -8.613 262 HB ILE 23 HB ILE 23 -3.214 -6.027 -11.519 263 1HG1 ILE 23 2HG1 ILE 23 -4.941 -6.515 -9.093 264 2HG1 ILE 23 1HG1 ILE 23 -4.826 -4.916 -9.837 265 1HG2 ILE 23 1HG2 ILE 23 -3.108 -8.113 -9.347 266 2HG2 ILE 23 2HG2 ILE 23 -2.102 -8.042 -10.793 267 3HG2 ILE 23 3HG2 ILE 23 -3.830 -8.343 -10.939 268 1HD1 ILE 23 1HD1 ILE 23 -5.632 -5.881 -11.951 269 2HD1 ILE 23 2HD1 ILE 23 -6.784 -6.082 -10.631 270 3HD1 ILE 23 3HD1 ILE 23 -5.796 -7.445 -11.154 271 H ALA 24 HN ALA 24 -0.736 -6.836 -8.238 272 HA ALA 24 HA ALA 24 1.325 -7.137 -10.301 273 1HB ALA 24 1HB ALA 24 3.080 -6.707 -8.645 274 2HB ALA 24 2HB ALA 24 1.851 -6.346 -7.433 275 3HB ALA 24 3HB ALA 24 2.032 -5.300 -8.842 276 H VAL 25 HN VAL 25 2.915 -8.911 -9.622 277 HA VAL 25 HA VAL 25 1.280 -11.093 -8.631 278 HB VAL 25 HB VAL 25 3.152 -12.550 -9.413 279 1HG1 VAL 25 1HG1 VAL 25 2.604 -12.332 -11.782 280 2HG1 VAL 25 2HG1 VAL 25 1.925 -10.734 -11.477 281 3HG1 VAL 25 3HG1 VAL 25 1.172 -12.164 -10.771 282 1HG2 VAL 25 1HG2 VAL 25 4.210 -9.995 -10.609 283 2HG2 VAL 25 2HG2 VAL 25 4.813 -11.620 -10.942 284 3HG2 VAL 25 3HG2 VAL 25 4.974 -10.934 -9.325 285 H GLU 26 HN GLU 26 1.455 -11.928 -6.731 286 HA GLU 26 HA GLU 26 3.628 -11.240 -4.924 287 1HB GLU 26 2HB GLU 26 1.232 -11.329 -4.198 288 2HB GLU 26 1HB GLU 26 1.211 -13.039 -4.594 289 1HG GLU 26 2HG GLU 26 1.411 -12.959 -2.289 290 2HG GLU 26 1HG GLU 26 3.037 -13.323 -2.860 291 H GLY 27 HN GLY 27 4.005 -12.782 -7.373 292 1HA GLY 27 2HA GLY 27 5.216 -14.610 -8.088 293 2HA GLY 27 1HA GLY 27 5.431 -15.071 -6.405 294 H ASP 28 HN ASP 28 3.377 -15.866 -5.339 295 HA ASP 28 HA ASP 28 2.117 -17.802 -7.157 296 1HB ASP 28 2HB ASP 28 3.409 -18.865 -5.439 297 2HB ASP 28 1HB ASP 28 2.691 -17.855 -4.192 298 H GLN 29 HN GLN 29 1.511 -15.027 -5.415 299 HA GLN 29 HA GLN 29 -1.358 -15.638 -5.131 300 1HB GLN 29 2HB GLN 29 -0.081 -15.413 -2.999 301 2HB GLN 29 1HB GLN 29 0.348 -13.779 -3.470 302 1HG GLN 29 2HG GLN 29 -1.960 -13.100 -3.352 303 2HG GLN 29 1HG GLN 29 -2.454 -14.755 -2.992 304 1HE2 GLN 29 1HE2 GLN 29 0.432 -13.251 -1.679 305 2HE2 GLN 29 2HE2 GLN 29 -0.117 -13.206 -0.044 306 H VAL 30 HN VAL 30 -2.817 -13.798 -5.499 307 HA VAL 30 HA VAL 30 -1.616 -11.764 -7.247 308 HB VAL 30 HB VAL 30 -4.586 -12.231 -6.925 309 1HG1 VAL 30 1HG1 VAL 30 -3.031 -10.986 -9.184 310 2HG1 VAL 30 2HG1 VAL 30 -3.900 -10.107 -7.927 311 3HG1 VAL 30 3HG1 VAL 30 -4.783 -11.126 -9.062 312 1HG2 VAL 30 1HG2 VAL 30 -4.545 -13.597 -8.960 313 2HG2 VAL 30 2HG2 VAL 30 -3.634 -14.347 -7.650 314 3HG2 VAL 30 3HG2 VAL 30 -2.783 -13.534 -8.964 315 H LYS 31 HN LYS 31 -1.375 -9.782 -6.497 316 HA LYS 31 HA LYS 31 -3.070 -8.946 -4.277 317 1HB LYS 31 2HB LYS 31 -1.225 -8.287 -2.924 318 2HB LYS 31 1HB LYS 31 -0.957 -9.951 -3.438 319 1HG LYS 31 2HG LYS 31 0.588 -9.127 -5.176 320 2HG LYS 31 1HG LYS 31 0.329 -7.476 -4.612 321 1HD LYS 31 2HD LYS 31 1.602 -9.756 -3.119 322 2HD LYS 31 1HD LYS 31 2.363 -8.254 -3.651 323 1HE LYS 31 2HE LYS 31 1.007 -6.981 -2.102 324 2HE LYS 31 1HE LYS 31 0.135 -8.441 -1.628 325 1HZ LYS 31 1HZ LYS 31 3.039 -7.956 -1.209 326 2HZ LYS 31 2HZ LYS 31 2.199 -9.357 -0.769 327 3HZ LYS 31 3HZ LYS 31 1.842 -7.883 -0.014 328 H LEU 32 HN LEU 32 -3.303 -6.704 -4.015 329 HA LEU 32 HA LEU 32 -2.672 -5.213 -6.467 330 1HB LEU 32 2HB LEU 32 -4.599 -3.830 -6.016 331 2HB LEU 32 1HB LEU 32 -5.065 -5.514 -5.991 332 HG LEU 32 HG LEU 32 -4.635 -5.168 -3.366 333 1HD1 LEU 32 1HD1 LEU 32 -5.549 -3.001 -2.678 334 2HD1 LEU 32 2HD1 LEU 32 -5.575 -2.480 -4.364 335 3HD1 LEU 32 3HD1 LEU 32 -4.038 -2.816 -3.571 336 1HD2 LEU 32 1HD2 LEU 32 -7.078 -4.831 -3.181 337 2HD2 LEU 32 2HD2 LEU 32 -6.638 -6.092 -4.331 338 3HD2 LEU 32 3HD2 LEU 32 -7.136 -4.503 -4.912 339 H GLY 33 HN GLY 33 -2.381 -2.821 -6.118 340 1HA GLY 33 2HA GLY 33 -0.950 -2.369 -3.583 341 2HA GLY 33 1HA GLY 33 -0.250 -1.929 -5.133 342 H ILE 34 HN ILE 34 -1.343 -0.519 -2.588 343 HA ILE 34 HA ILE 34 -2.998 1.475 -3.916 344 HB ILE 34 HB ILE 34 -3.169 2.619 -1.774 345 1HG1 ILE 34 2HG1 ILE 34 -0.859 1.981 -0.986 346 2HG1 ILE 34 1HG1 ILE 34 -2.112 1.860 0.251 347 1HG2 ILE 34 1HG2 ILE 34 -4.749 0.843 -2.275 348 2HG2 ILE 34 2HG2 ILE 34 -4.429 0.937 -0.544 349 3HG2 ILE 34 3HG2 ILE 34 -3.683 -0.337 -1.510 350 1HD1 ILE 34 1HD1 ILE 34 -0.595 0.009 0.370 351 2HD1 ILE 34 2HD1 ILE 34 -0.944 -0.412 -1.307 352 3HD1 ILE 34 3HD1 ILE 34 -2.207 -0.540 -0.082 353 H ASP 35 HN ASP 35 -1.910 2.819 -5.182 354 HA ASP 35 HA ASP 35 0.599 3.888 -4.113 355 1HB ASP 35 2HB ASP 35 1.284 2.576 -5.944 356 2HB ASP 35 1HB ASP 35 -0.073 3.092 -6.931 357 H ALA 36 HN ALA 36 0.857 5.983 -4.080 358 HA ALA 36 HA ALA 36 -1.108 7.729 -5.353 359 1HB ALA 36 1HB ALA 36 -1.958 7.251 -3.095 360 2HB ALA 36 2HB ALA 36 -1.487 8.941 -3.277 361 3HB ALA 36 3HB ALA 36 -0.435 7.824 -2.411 362 HA PRO 37 HA PRO 37 2.448 10.236 -6.151 363 1HB PRO 37 2HB PRO 37 1.436 12.756 -5.980 364 2HB PRO 37 1HB PRO 37 1.104 11.671 -7.335 365 1HG PRO 37 2HG PRO 37 -0.584 12.267 -4.932 366 2HG PRO 37 1HG PRO 37 -1.064 12.137 -6.635 367 1HD PRO 37 2HD PRO 37 -1.447 10.131 -4.880 368 2HD PRO 37 1HD PRO 37 -1.061 9.827 -6.588 369 H LYS 38 HN LYS 38 1.990 9.440 -3.345 370 HA LYS 38 HA LYS 38 2.945 9.737 -1.323 371 1HB LYS 38 2HB LYS 38 4.906 10.128 -2.824 372 2HB LYS 38 1HB LYS 38 4.616 11.857 -2.664 373 1HG LYS 38 2HG LYS 38 6.313 11.373 -1.141 374 2HG LYS 38 1HG LYS 38 4.852 11.486 -0.160 375 1HD LYS 38 2HD LYS 38 4.727 9.170 0.150 376 2HD LYS 38 1HD LYS 38 5.809 8.841 -1.215 377 1HE LYS 38 2HE LYS 38 7.548 10.196 0.148 378 2HE LYS 38 1HE LYS 38 6.484 9.881 1.515 379 1HZ LYS 38 1HZ LYS 38 6.735 7.489 1.064 380 2HZ LYS 38 2HZ LYS 38 8.210 8.240 1.423 381 3HZ LYS 38 3HZ LYS 38 7.837 7.844 -0.182 382 H HIS 39 HN HIS 39 0.617 11.295 -2.101 383 HA HIS 39 HA HIS 39 0.573 13.777 -0.768 384 1HB HIS 39 2HB HIS 39 -1.837 13.552 -0.798 385 2HB HIS 39 1HB HIS 39 -1.222 12.869 -2.301 386 HD1 HIS 39 1HD HIS 39 -0.320 10.198 -0.661 387 HD2 HIS 39 2HD HIS 39 -4.123 11.834 -0.931 388 HE1 HIS 39 1HE HIS 39 -1.869 8.338 -0.133 389 HE2 HIS 39 2HE HIS 39 -4.179 9.273 -0.598 390 H ILE 40 HN ILE 40 -1.486 13.498 1.089 391 HA ILE 40 HA ILE 40 -0.153 12.214 3.343 392 HB ILE 40 HB ILE 40 -1.644 13.529 4.766 393 1HG1 ILE 40 2HG1 ILE 40 -3.427 13.528 2.818 394 2HG1 ILE 40 1HG1 ILE 40 -3.400 14.826 4.012 395 1HG2 ILE 40 1HG2 ILE 40 -0.726 15.737 4.334 396 2HG2 ILE 40 2HG2 ILE 40 -0.303 15.256 2.689 397 3HG2 ILE 40 3HG2 ILE 40 0.497 14.493 4.063 398 1HD1 ILE 40 1HD1 ILE 40 -2.150 16.219 2.414 399 2HD1 ILE 40 2HD1 ILE 40 -3.724 15.721 1.802 400 3HD1 ILE 40 3HD1 ILE 40 -2.264 14.925 1.226 401 H ASP 41 HN ASP 41 -1.443 10.928 4.804 402 HA ASP 41 HA ASP 41 -3.442 9.424 3.309 403 1HB ASP 41 2HB ASP 41 -3.166 7.694 5.057 404 2HB ASP 41 1HB ASP 41 -1.630 8.179 4.328 405 H ILE 42 HN ILE 42 -5.429 10.087 3.443 406 HA ILE 42 HA ILE 42 -6.436 11.466 5.793 407 HB ILE 42 HB ILE 42 -8.002 10.694 3.334 408 1HG1 ILE 42 2HG1 ILE 42 -5.973 11.901 2.645 409 2HG1 ILE 42 1HG1 ILE 42 -7.426 12.853 2.358 410 1HG2 ILE 42 1HG2 ILE 42 -9.353 12.666 3.918 411 2HG2 ILE 42 2HG2 ILE 42 -8.356 12.905 5.352 412 3HG2 ILE 42 3HG2 ILE 42 -9.343 11.452 5.197 413 1HD1 ILE 42 1HD1 ILE 42 -5.509 13.188 4.653 414 2HD1 ILE 42 2HD1 ILE 42 -6.966 14.145 4.379 415 3HD1 ILE 42 3HD1 ILE 42 -5.630 14.225 3.231 416 H HIS 43 HN HIS 43 -8.049 10.659 7.146 417 HA HIS 43 HA HIS 43 -9.100 7.991 6.530 418 1HB HIS 43 2HB HIS 43 -8.213 8.776 9.314 419 2HB HIS 43 1HB HIS 43 -8.864 7.219 8.799 420 HD1 HIS 43 1HD HIS 43 -5.895 8.212 10.004 421 HD2 HIS 43 2HD HIS 43 -6.880 6.623 6.283 422 HE1 HIS 43 1HE HIS 43 -3.783 7.166 9.142 423 HE2 HIS 43 2HE HIS 43 -4.336 6.492 6.788 424 H ARG 44 HN ARG 44 -11.035 7.502 7.933 425 HA ARG 44 HA ARG 44 -12.522 9.904 8.684 426 1HB ARG 44 2HB ARG 44 -13.527 7.903 6.643 427 2HB ARG 44 1HB ARG 44 -14.456 9.240 7.306 428 1HG ARG 44 2HG ARG 44 -12.977 10.838 6.264 429 2HG ARG 44 1HG ARG 44 -11.935 9.538 5.687 430 1HD ARG 44 2HD ARG 44 -13.829 8.662 4.364 431 2HD ARG 44 1HD ARG 44 -14.797 10.042 4.884 432 HE ARG 44 HE ARG 44 -12.267 10.579 3.512 433 1HH1 ARG 44 1HH1 ARG 44 -15.770 10.421 3.351 434 2HH1 ARG 44 2HH1 ARG 44 -15.863 11.450 1.947 435 1HH2 ARG 44 1HH2 ARG 44 -12.388 11.895 1.681 436 2HH2 ARG 44 2HH2 ARG 44 -13.947 12.308 1.016 437 H LYS 45 HN LYS 45 -12.746 9.312 10.762 438 HA LYS 45 HA LYS 45 -13.376 8.197 12.625 439 1HB LYS 45 2HB LYS 45 -15.583 8.175 11.412 440 2HB LYS 45 1HB LYS 45 -15.176 6.569 10.825 441 1HG LYS 45 2HG LYS 45 -15.175 5.689 13.048 442 2HG LYS 45 1HG LYS 45 -15.368 7.303 13.736 443 1HD LYS 45 2HD LYS 45 -17.549 7.472 12.544 444 2HD LYS 45 1HD LYS 45 -17.357 5.790 12.043 445 1HE LYS 45 2HE LYS 45 -18.792 6.027 14.030 446 2HE LYS 45 1HE LYS 45 -17.346 5.072 14.350 447 1HZ LYS 45 1HZ LYS 45 -17.589 7.958 14.989 448 2HZ LYS 45 2HZ LYS 45 -16.341 6.910 15.451 449 3HZ LYS 45 3HZ LYS 45 -17.892 6.718 16.102 450 H GLU 46 HN GLU 46 -11.558 7.212 13.225 451 HA GLU 46 HA GLU 46 -9.923 5.667 13.493 452 1HB GLU 46 2HB GLU 46 -11.989 3.851 12.256 453 2HB GLU 46 1HB GLU 46 -10.390 3.279 12.709 454 1HG GLU 46 2HG GLU 46 -12.371 4.546 14.587 455 2HG GLU 46 1HG GLU 46 -12.096 2.813 14.415 456 H ILE 47 HN ILE 47 -8.592 3.956 11.992 457 HA ILE 47 HA ILE 47 -8.087 5.548 9.602 458 HB ILE 47 HB ILE 47 -5.971 4.432 9.369 459 1HG1 ILE 47 2HG1 ILE 47 -6.675 2.830 11.844 460 2HG1 ILE 47 1HG1 ILE 47 -6.715 2.186 10.206 461 1HG2 ILE 47 1HG2 ILE 47 -6.074 6.338 10.870 462 2HG2 ILE 47 2HG2 ILE 47 -4.897 5.164 11.463 463 3HG2 ILE 47 3HG2 ILE 47 -6.486 5.282 12.221 464 1HD1 ILE 47 1HD1 ILE 47 -4.379 2.347 9.978 465 2HD1 ILE 47 2HD1 ILE 47 -4.670 1.654 11.576 466 3HD1 ILE 47 3HD1 ILE 47 -4.232 3.358 11.421 467 H TYR 48 HN TYR 48 -8.902 5.002 7.757 468 HA TYR 48 HA TYR 48 -10.076 2.377 7.467 469 1HB TYR 48 2HB TYR 48 -11.350 3.307 5.633 470 2HB TYR 48 1HB TYR 48 -11.418 4.377 7.023 471 HD1 TYR 48 1HD TYR 48 -8.581 4.310 4.640 472 HD2 TYR 48 2HD TYR 48 -12.113 6.289 5.912 473 HE1 TYR 48 1HE TYR 48 -8.031 6.208 3.190 474 HE2 TYR 48 2HE TYR 48 -11.569 8.199 4.475 475 HH TYR 48 HH TYR 48 -9.081 8.077 2.126 476 H LEU 49 HN LEU 49 -7.155 3.650 6.824 477 HA LEU 49 HA LEU 49 -6.815 2.339 4.225 478 1HB LEU 49 2HB LEU 49 -5.518 4.648 5.564 479 2HB LEU 49 1HB LEU 49 -4.489 3.634 4.574 480 HG LEU 49 HG LEU 49 -7.024 4.904 3.552 481 1HD1 LEU 49 1HD1 LEU 49 -5.580 6.560 2.491 482 2HD1 LEU 49 2HD1 LEU 49 -4.180 5.872 3.312 483 3HD1 LEU 49 3HD1 LEU 49 -5.463 6.641 4.248 484 1HD2 LEU 49 1HD2 LEU 49 -5.987 4.428 1.368 485 2HD2 LEU 49 2HD2 LEU 49 -6.307 2.966 2.299 486 3HD2 LEU 49 3HD2 LEU 49 -4.665 3.605 2.196 487 H THR 50 HN THR 50 -4.456 3.071 6.714 488 HA THR 50 HA THR 50 -3.119 1.799 8.004 489 HB THR 50 HB THR 50 -4.918 -0.448 7.147 490 HG1 THR 50 1HG THR 50 -5.396 -0.013 9.589 491 1HG2 THR 50 1HG2 THR 50 -4.007 -1.697 9.058 492 2HG2 THR 50 2HG2 THR 50 -2.864 -0.388 9.358 493 3HG2 THR 50 3HG2 THR 50 -2.754 -1.331 7.871 494 H ILE 51 HN ILE 51 -3.857 0.540 4.840 495 HA ILE 51 HA ILE 51 -1.588 -1.060 4.455 496 HB ILE 51 HB ILE 51 -2.507 0.380 2.047 497 1HG1 ILE 51 2HG1 ILE 51 -4.395 -1.497 3.497 498 2HG1 ILE 51 1HG1 ILE 51 -4.568 0.248 3.475 499 1HG2 ILE 51 1HG2 ILE 51 -2.595 -1.928 1.204 500 2HG2 ILE 51 2HG2 ILE 51 -2.292 -2.534 2.832 501 3HG2 ILE 51 3HG2 ILE 51 -1.057 -1.591 1.997 502 1HD1 ILE 51 1HD1 ILE 51 -4.825 0.199 1.052 503 2HD1 ILE 51 2HD1 ILE 51 -6.037 -0.795 1.859 504 3HD1 ILE 51 3HD1 ILE 51 -4.651 -1.556 1.078 505 H GLN 52 HN GLN 52 -2.159 2.217 3.156 506 HA GLN 52 HA GLN 52 0.679 2.538 2.698 507 1HB GLN 52 2HB GLN 52 0.164 4.603 1.617 508 2HB GLN 52 1HB GLN 52 -1.039 3.432 1.099 509 1HG GLN 52 2HG GLN 52 -2.736 4.454 2.279 510 2HG GLN 52 1HG GLN 52 -1.624 5.239 3.400 511 1HE2 GLN 52 1HE2 GLN 52 -2.460 7.268 3.085 512 2HE2 GLN 52 2HE2 GLN 52 -2.253 8.150 1.620 513 H GLU 53 HN GLU 53 -1.197 2.831 5.398 514 HA GLU 53 HA GLU 53 0.281 5.101 6.470 515 1HB GLU 53 2HB GLU 53 -2.210 4.228 7.007 516 2HB GLU 53 1HB GLU 53 -1.333 3.407 8.291 517 1HG GLU 53 2HG GLU 53 -1.377 6.373 7.760 518 2HG GLU 53 1HG GLU 53 -2.241 5.535 9.043 519 H GLU 54 HN GLU 54 0.030 1.592 6.792 520 HA GLU 54 HA GLU 54 2.232 1.035 8.372 521 1HB GLU 54 2HB GLU 54 1.077 -0.288 5.917 522 2HB GLU 54 1HB GLU 54 2.532 -0.930 6.682 523 1HG GLU 54 2HG GLU 54 -0.136 -0.564 8.027 524 2HG GLU 54 1HG GLU 54 0.469 -2.080 7.367 525 H ASN 55 HN ASN 55 2.042 1.763 4.925 526 HA ASN 55 HA ASN 55 4.938 1.933 4.697 527 1HB ASN 55 2HB ASN 55 3.555 0.784 2.961 528 2HB ASN 55 1HB ASN 55 2.811 2.330 2.583 529 1HD2 ASN 55 1HD2 ASN 55 5.646 0.362 2.292 530 2HD2 ASN 55 2HD2 ASN 55 6.452 1.362 1.133 531 H ASN 56 HN ASN 56 3.108 4.003 2.668 532 HA ASN 56 HA ASN 56 3.176 6.216 2.234 533 1HB ASN 56 2HB ASN 56 2.020 6.379 4.460 534 2HB ASN 56 1HB ASN 56 3.598 6.649 5.196 535 1HD2 ASN 56 1HD2 ASN 56 2.774 8.688 5.911 536 2HD2 ASN 56 2HD2 ASN 56 2.721 10.034 4.818 537 H ARG 57 HN ARG 57 5.380 6.034 4.954 538 HA ARG 57 HA ARG 57 7.418 7.587 3.741 539 1HB ARG 57 2HB ARG 57 8.630 6.125 5.776 540 2HB ARG 57 1HB ARG 57 7.890 7.715 5.938 541 1HG ARG 57 2HG ARG 57 5.808 6.744 6.611 542 2HG ARG 57 1HG ARG 57 6.412 5.118 6.288 543 1HD ARG 57 2HD ARG 57 8.010 5.327 8.094 544 2HD ARG 57 1HD ARG 57 7.504 6.996 8.379 545 HE ARG 57 HE ARG 57 5.207 5.906 8.784 546 1HH1 ARG 57 1HH1 ARG 57 8.287 4.448 9.625 547 2HH1 ARG 57 2HH1 ARG 57 7.617 3.494 10.919 548 1HH2 ARG 57 1HH2 ARG 57 4.340 4.646 10.462 549 2HH2 ARG 57 2HH2 ARG 57 5.371 3.594 11.376 550 H ALA 58 HN ALA 58 7.643 4.201 4.842 551 HA ALA 58 HA ALA 58 8.439 3.057 2.434 552 1HB ALA 58 1HB ALA 58 10.815 3.821 4.128 553 2HB ALA 58 2HB ALA 58 10.375 4.575 2.597 554 3HB ALA 58 3HB ALA 58 10.843 2.878 2.638 555 H ALA 59 HN ALA 59 6.954 1.623 3.654 556 HA ALA 59 HA ALA 59 8.400 -0.091 5.556 557 1HB ALA 59 1HB ALA 59 6.170 0.609 6.265 558 2HB ALA 59 2HB ALA 59 6.233 -1.135 6.004 559 3HB ALA 59 3HB ALA 59 5.478 -0.088 4.800 560 H ALA 60 HN ALA 60 9.401 -1.814 4.749 561 HA ALA 60 HA ALA 60 8.284 -3.777 3.152 562 1HB ALA 60 1HB ALA 60 10.046 -1.969 1.495 563 2HB ALA 60 2HB ALA 60 8.289 -2.049 1.374 564 3HB ALA 60 3HB ALA 60 9.262 -3.463 0.972 565 H LEU 61 HN LEU 61 9.409 -5.078 4.597 566 HA LEU 61 HA LEU 61 12.305 -5.060 4.598 567 1HB LEU 61 2HB LEU 61 10.743 -5.754 6.536 568 2HB LEU 61 1HB LEU 61 10.529 -7.255 5.660 569 HG LEU 61 HG LEU 61 12.201 -7.341 7.521 570 1HD1 LEU 61 1HD1 LEU 61 13.912 -8.571 6.271 571 2HD1 LEU 61 2HD1 LEU 61 13.253 -7.934 4.763 572 3HD1 LEU 61 3HD1 LEU 61 12.279 -9.006 5.765 573 1HD2 LEU 61 1HD2 LEU 61 14.399 -6.352 7.162 574 2HD2 LEU 61 2HD2 LEU 61 13.145 -5.116 7.250 575 3HD2 LEU 61 3HD2 LEU 61 13.817 -5.581 5.687 576 H SER 62 HN SER 62 9.906 -7.534 3.761 577 HA SER 62 HA SER 62 10.999 -7.906 1.158 578 1HB SER 62 2HB SER 62 11.145 -10.175 3.166 579 2HB SER 62 1HB SER 62 11.395 -10.356 1.431 580 HG SER 62 HG SER 62 12.949 -8.382 2.463 581 H SER 63 HN SER 63 9.292 -10.292 3.097 582 HA SER 63 HA SER 63 6.761 -9.384 1.935 583 1HB SER 63 2HB SER 63 7.497 -11.669 1.144 584 2HB SER 63 1HB SER 63 7.431 -12.210 2.818 585 HG SER 63 HG SER 63 5.508 -12.477 1.297 586 H ASP 64 HN ASP 64 8.690 -9.567 4.529 587 HA ASP 64 HA ASP 64 6.767 -10.035 6.599 588 1HB ASP 64 2HB ASP 64 9.482 -8.751 6.921 589 2HB ASP 64 1HB ASP 64 8.574 -9.689 8.105 590 H VAL 65 HN VAL 65 5.359 -8.439 5.540 591 HA VAL 65 HA VAL 65 5.738 -5.809 6.796 592 HB VAL 65 HB VAL 65 4.464 -6.320 4.106 593 1HG1 VAL 65 1HG1 VAL 65 3.428 -4.465 5.300 594 2HG1 VAL 65 2HG1 VAL 65 4.356 -3.873 3.920 595 3HG1 VAL 65 3HG1 VAL 65 5.011 -3.727 5.554 596 1HG2 VAL 65 1HG2 VAL 65 7.107 -5.017 4.755 597 2HG2 VAL 65 2HG2 VAL 65 6.360 -5.062 3.160 598 3HG2 VAL 65 3HG2 VAL 65 6.869 -6.560 3.936 599 H ILE 66 HN ILE 66 3.223 -7.266 4.837 600 HA ILE 66 HA ILE 66 1.684 -8.083 7.135 601 HB ILE 66 HB ILE 66 -0.435 -7.106 6.029 602 1HG1 ILE 66 2HG1 ILE 66 1.634 -5.165 4.958 603 2HG1 ILE 66 1HG1 ILE 66 0.665 -6.264 3.983 604 1HG2 ILE 66 1HG2 ILE 66 -0.263 -5.048 7.358 605 2HG2 ILE 66 2HG2 ILE 66 1.475 -5.304 7.513 606 3HG2 ILE 66 3HG2 ILE 66 0.348 -6.454 8.233 607 1HD1 ILE 66 1HD1 ILE 66 -1.359 -5.094 4.695 608 2HD1 ILE 66 2HD1 ILE 66 -0.220 -4.015 3.893 609 3HD1 ILE 66 3HD1 ILE 66 -0.375 -3.988 5.650 610 H SER 67 HN SER 67 1.000 -7.529 3.699 611 HA SER 67 HA SER 67 0.173 -8.868 2.073 612 1HB SER 67 2HB SER 67 2.509 -10.491 3.068 613 2HB SER 67 1HB SER 67 1.744 -10.682 1.490 614 HG SER 67 HG SER 67 3.604 -9.317 1.423 615 H ALA 68 HN ALA 68 1.265 -11.761 3.676 616 HA ALA 68 HA ALA 68 -1.513 -12.679 3.795 617 1HB ALA 68 1HB ALA 68 0.076 -14.062 2.515 618 2HB ALA 68 2HB ALA 68 -0.608 -14.928 3.889 619 3HB ALA 68 3HB ALA 68 1.033 -14.286 3.978 620 H LEU 69 HN LEU 69 -2.526 -12.909 5.624 621 HA LEU 69 HA LEU 69 -2.999 -13.213 7.820 622 1HB LEU 69 2HB LEU 69 -0.045 -13.641 8.272 623 2HB LEU 69 1HB LEU 69 -1.344 -14.044 9.380 624 HG LEU 69 HG LEU 69 -0.970 -15.308 6.663 625 1HD1 LEU 69 1HD1 LEU 69 -0.202 -17.281 7.888 626 2HD1 LEU 69 2HD1 LEU 69 -0.313 -16.394 9.408 627 3HD1 LEU 69 3HD1 LEU 69 0.858 -15.902 8.185 628 1HD2 LEU 69 1HD2 LEU 69 -2.621 -16.917 7.458 629 2HD2 LEU 69 2HD2 LEU 69 -3.284 -15.282 7.456 630 3HD2 LEU 69 3HD2 LEU 69 -2.777 -16.027 8.971 631 H SER 70 HN SER 70 -0.332 -11.164 6.934 632 HA SER 70 HA SER 70 0.007 -8.955 7.245 633 1HB SER 70 2HB SER 70 -2.531 -8.966 8.899 634 2HB SER 70 1HB SER 70 -1.707 -7.545 8.256 635 HG SER 70 HG SER 70 -2.343 -9.494 6.402 636 H SER 71 HN SER 71 -1.322 -10.182 10.325 637 HA SER 71 HA SER 71 0.815 -8.815 11.727 638 1HB SER 71 2HB SER 71 -0.474 -9.885 13.748 639 2HB SER 71 1HB SER 71 -1.193 -8.531 12.876 640 HG SER 71 HG SER 71 -2.717 -9.789 12.131 641 H GLN 72 HN GLN 72 2.268 -10.385 10.445 642 HA GLN 72 HA GLN 72 2.418 -13.026 11.617 643 1HB GLN 72 2HB GLN 72 4.596 -13.027 10.100 644 2HB GLN 72 1HB GLN 72 2.997 -13.311 9.441 645 1HG GLN 72 2HG GLN 72 4.265 -11.830 8.024 646 2HG GLN 72 1HG GLN 72 2.872 -10.983 8.703 647 1HE2 GLN 72 1HE2 GLN 72 6.342 -11.293 8.710 648 2HE2 GLN 72 2HE2 GLN 72 6.671 -9.795 9.530 649 H LYS 73 HN LYS 73 2.715 -12.054 13.768 650 HA LYS 73 HA LYS 73 5.143 -10.749 14.417 651 1HB LYS 73 2HB LYS 73 4.540 -11.241 16.783 652 2HB LYS 73 1HB LYS 73 3.262 -10.448 15.879 653 1HG LYS 73 2HG LYS 73 3.256 -13.421 16.125 654 2HG LYS 73 1HG LYS 73 2.723 -12.428 17.482 655 1HD LYS 73 2HD LYS 73 1.051 -11.366 16.075 656 2HD LYS 73 1HD LYS 73 1.617 -12.289 14.681 657 1HE LYS 73 2HE LYS 73 0.915 -14.351 15.684 658 2HE LYS 73 1HE LYS 73 0.534 -13.540 17.201 659 1HZ LYS 73 1HZ LYS 73 -1.249 -12.365 16.117 660 2HZ LYS 73 2HZ LYS 73 -1.448 -14.029 15.867 661 3HZ LYS 73 3HZ LYS 73 -0.856 -13.048 14.614 662 H LYS 74 HN LYS 74 7.035 -11.619 14.196 663 HA LYS 74 HA LYS 74 7.397 -14.474 14.819 664 1HB LYS 74 2HB LYS 74 8.316 -12.798 12.573 665 2HB LYS 74 1HB LYS 74 9.547 -13.844 13.264 666 1HG LYS 74 2HG LYS 74 8.382 -14.852 11.349 667 2HG LYS 74 1HG LYS 74 8.206 -15.797 12.828 668 1HD LYS 74 2HD LYS 74 5.973 -14.692 13.143 669 2HD LYS 74 1HD LYS 74 6.171 -13.988 11.536 670 1HE LYS 74 2HE LYS 74 4.852 -15.972 11.320 671 2HE LYS 74 1HE LYS 74 6.445 -16.286 10.631 672 1HZ LYS 74 1HZ LYS 74 6.972 -17.226 12.955 673 2HZ LYS 74 2HZ LYS 74 6.034 -18.159 11.900 674 3HZ LYS 74 3HZ LYS 74 5.285 -17.296 13.150 Start of MODEL 8 1 H HIS -9 H HIS -9 8.629 13.557 -20.792 2 HA HIS -9 HA HIS -9 10.871 11.798 -21.584 3 1HB HIS -9 2HB HIS -9 12.002 13.783 -22.421 4 2HB HIS -9 1HB HIS -9 10.480 13.572 -23.268 5 HD1 HIS -9 1HD HIS -9 8.574 15.303 -22.710 6 HD2 HIS -9 2HD HIS -9 12.278 16.147 -21.018 7 HE1 HIS -9 1HE HIS -9 8.454 17.706 -21.970 8 HE2 HIS -9 2HE HIS -9 10.761 18.240 -21.100 9 H SER -8 HN SER -8 12.648 11.885 -20.267 10 HA SER -8 HA SER -8 13.758 11.999 -18.297 11 1HB SER -8 2HB SER -8 13.846 14.429 -19.040 12 2HB SER -8 1HB SER -8 12.499 14.728 -17.945 13 HG SER -8 HG SER -8 15.163 14.351 -17.407 14 H SER -7 HN SER -7 12.331 10.296 -17.548 15 HA SER -7 HA SER -7 10.393 11.225 -15.524 16 1HB SER -7 2HB SER -7 9.528 9.955 -17.600 17 2HB SER -7 1HB SER -7 10.284 8.533 -16.885 18 HG SER -7 HG SER -7 8.758 8.442 -15.418 19 H GLY -6 HN GLY -6 13.410 10.226 -15.682 20 1HA GLY -6 2HA GLY -6 13.385 8.082 -13.740 21 2HA GLY -6 1HA GLY -6 14.801 8.948 -14.327 22 H HIS -5 HN HIS -5 11.972 10.484 -13.006 23 HA HIS -5 HA HIS -5 13.592 11.456 -10.757 24 1HB HIS -5 2HB HIS -5 13.058 13.303 -12.170 25 2HB HIS -5 1HB HIS -5 11.389 12.776 -12.350 26 HD1 HIS -5 1HD HIS -5 13.714 14.388 -9.832 27 HD2 HIS -5 2HD HIS -5 9.661 13.698 -10.437 28 HE1 HIS -5 1HE HIS -5 12.526 15.719 -8.061 29 HE2 HIS -5 2HE HIS -5 10.090 15.097 -8.307 30 H ILE -4 HN ILE -4 13.018 10.667 -8.867 31 HA ILE -4 HA ILE -4 10.344 9.530 -8.540 32 HB ILE -4 HB ILE -4 12.240 8.139 -7.876 33 1HG1 ILE -4 2HG1 ILE -4 10.715 9.008 -5.420 34 2HG1 ILE -4 1HG1 ILE -4 9.988 8.065 -6.718 35 1HG2 ILE -4 1HG2 ILE -4 12.795 10.286 -5.836 36 2HG2 ILE -4 2HG2 ILE -4 13.811 9.862 -7.212 37 3HG2 ILE -4 3HG2 ILE -4 13.577 8.708 -5.901 38 1HD1 ILE -4 1HD1 ILE -4 10.692 6.666 -4.861 39 2HD1 ILE -4 2HD1 ILE -4 12.352 7.229 -5.064 40 3HD1 ILE -4 3HD1 ILE -4 11.577 6.285 -6.337 41 H GLU -3 HN GLU -3 8.837 10.339 -7.167 42 HA GLU -3 HA GLU -3 9.361 13.005 -6.088 43 1HB GLU -3 2HB GLU -3 6.799 11.461 -6.531 44 2HB GLU -3 1HB GLU -3 6.869 13.071 -5.826 45 1HG GLU -3 2HG GLU -3 8.020 12.471 -8.529 46 2HG GLU -3 1HG GLU -3 6.321 12.888 -8.301 47 H GLY -2 HN GLY -2 10.254 10.417 -4.844 48 1HA GLY -2 2HA GLY -2 10.460 9.527 -2.734 49 2HA GLY -2 1HA GLY -2 9.725 11.009 -2.131 50 H ARG -1 HN ARG -1 8.250 8.795 -4.399 51 HA ARG -1 HA ARG -1 5.877 8.797 -2.750 52 1HB ARG -1 2HB ARG -1 4.695 8.089 -4.667 53 2HB ARG -1 1HB ARG -1 5.898 9.217 -5.278 54 1HG ARG -1 2HG ARG -1 7.247 7.465 -6.128 55 2HG ARG -1 1HG ARG -1 6.313 6.239 -5.268 56 1HD ARG -1 2HD ARG -1 4.323 7.040 -6.653 57 2HD ARG -1 1HD ARG -1 5.509 7.880 -7.651 58 HE ARG -1 HE ARG -1 6.508 5.403 -7.649 59 1HH1 ARG -1 1HH1 ARG -1 3.248 6.575 -8.155 60 2HH1 ARG -1 2HH1 ARG -1 2.771 5.231 -9.144 61 1HH2 ARG -1 1HH2 ARG -1 5.900 3.635 -8.989 62 2HH2 ARG -1 2HH2 ARG -1 4.293 3.576 -9.643 63 H HIS 0 HN HIS 0 4.621 6.747 -2.659 64 HA HIS 0 HA HIS 0 6.364 4.430 -2.325 65 1HB HIS 0 2HB HIS 0 5.117 3.846 -0.256 66 2HB HIS 0 1HB HIS 0 6.085 5.308 -0.118 67 HD1 HIS 0 1HD HIS 0 4.924 6.989 1.211 68 HD2 HIS 0 2HD HIS 0 2.263 4.790 -1.097 69 HE1 HIS 0 1HE HIS 0 2.640 7.917 1.725 70 HE2 HIS 0 2HE HIS 0 1.059 6.633 0.246 71 H MET 1 HN MET 1 5.560 2.540 -3.009 72 HA MET 1 HA MET 1 2.687 2.429 -3.669 73 1HB MET 1 2HB MET 1 3.983 2.186 -5.697 74 2HB MET 1 1HB MET 1 5.021 0.984 -4.942 75 1HG MET 1 2HG MET 1 3.122 -0.549 -4.773 76 2HG MET 1 1HG MET 1 2.088 0.653 -5.540 77 1HE MET 1 1HE MET 1 1.434 -1.441 -7.148 78 2HE MET 1 2HE MET 1 2.667 -2.478 -6.430 79 3HE MET 1 3HE MET 1 2.600 -2.268 -8.180 80 H LEU 2 HN LEU 2 1.683 1.380 -2.051 81 HA LEU 2 HA LEU 2 3.175 -0.775 -0.738 82 1HB LEU 2 2HB LEU 2 2.156 1.160 0.621 83 2HB LEU 2 1HB LEU 2 0.603 0.415 0.275 84 HG LEU 2 HG LEU 2 1.712 -0.139 2.524 85 1HD1 LEU 2 1HD1 LEU 2 0.844 -2.383 0.714 86 2HD1 LEU 2 2HD1 LEU 2 -0.199 -1.386 1.729 87 3HD1 LEU 2 3HD1 LEU 2 0.970 -2.477 2.470 88 1HD2 LEU 2 1HD2 LEU 2 3.342 -1.961 0.764 89 2HD2 LEU 2 2HD2 LEU 2 3.345 -1.919 2.526 90 3HD2 LEU 2 3HD2 LEU 2 3.959 -0.543 1.610 91 H VAL 3 HN VAL 3 2.655 -2.775 -1.093 92 HA VAL 3 HA VAL 3 0.291 -3.286 -2.736 93 HB VAL 3 HB VAL 3 2.596 -3.806 -3.593 94 1HG1 VAL 3 1HG1 VAL 3 3.648 -5.901 -2.901 95 2HG1 VAL 3 2HG1 VAL 3 2.469 -6.056 -1.599 96 3HG1 VAL 3 3HG1 VAL 3 3.611 -4.712 -1.601 97 1HG2 VAL 3 1HG2 VAL 3 1.920 -5.917 -4.629 98 2HG2 VAL 3 2HG2 VAL 3 0.625 -4.720 -4.624 99 3HG2 VAL 3 3HG2 VAL 3 0.602 -6.049 -3.466 100 H LEU 4 HN LEU 4 -1.349 -4.383 -1.983 101 HA LEU 4 HA LEU 4 -1.151 -5.609 0.693 102 1HB LEU 4 2HB LEU 4 -2.856 -3.619 -0.356 103 2HB LEU 4 1HB LEU 4 -3.834 -5.056 -0.211 104 HG LEU 4 HG LEU 4 -3.826 -3.416 1.766 105 1HD1 LEU 4 1HD1 LEU 4 -3.983 -5.245 3.383 106 2HD1 LEU 4 2HD1 LEU 4 -3.200 -6.333 2.236 107 3HD1 LEU 4 3HD1 LEU 4 -4.788 -5.658 1.870 108 1HD2 LEU 4 1HD2 LEU 4 -2.059 -3.616 3.362 109 2HD2 LEU 4 2HD2 LEU 4 -1.351 -3.160 1.812 110 3HD2 LEU 4 3HD2 LEU 4 -1.235 -4.825 2.382 111 H SER 5 HN SER 5 -2.031 -7.694 0.960 112 HA SER 5 HA SER 5 -2.163 -9.122 -1.554 113 1HB SER 5 2HB SER 5 -2.204 -11.144 0.050 114 2HB SER 5 1HB SER 5 -0.733 -10.168 -0.003 115 HG SER 5 HG SER 5 -1.736 -10.755 2.141 116 H ARG 6 HN ARG 6 -4.006 -9.416 -2.549 117 HA ARG 6 HA ARG 6 -6.389 -10.159 -1.061 118 1HB ARG 6 2HB ARG 6 -6.307 -7.616 -1.231 119 2HB ARG 6 1HB ARG 6 -6.456 -7.816 -2.968 120 1HG ARG 6 2HG ARG 6 -8.628 -7.418 -2.350 121 2HG ARG 6 1HG ARG 6 -8.581 -9.182 -2.370 122 1HD ARG 6 2HD ARG 6 -8.080 -7.598 0.132 123 2HD ARG 6 1HD ARG 6 -9.706 -8.044 -0.376 124 HE ARG 6 HE ARG 6 -8.351 -10.406 -0.386 125 1HH1 ARG 6 1HH1 ARG 6 -8.753 -7.875 2.010 126 2HH1 ARG 6 2HH1 ARG 6 -8.777 -8.991 3.348 127 1HH2 ARG 6 1HH2 ARG 6 -8.370 -11.853 1.390 128 2HH2 ARG 6 2HH2 ARG 6 -8.552 -11.222 3.000 129 H LYS 7 HN LYS 7 -7.227 -11.823 -2.160 130 HA LYS 7 HA LYS 7 -6.170 -12.275 -4.847 131 1HB LYS 7 2HB LYS 7 -7.452 -14.190 -2.886 132 2HB LYS 7 1HB LYS 7 -6.836 -14.638 -4.473 133 1HG LYS 7 2HG LYS 7 -5.068 -15.224 -3.128 134 2HG LYS 7 1HG LYS 7 -4.613 -13.584 -3.589 135 1HD LYS 7 2HD LYS 7 -5.887 -12.919 -1.410 136 2HD LYS 7 1HD LYS 7 -5.636 -14.604 -0.971 137 1HE LYS 7 2HE LYS 7 -3.194 -14.231 -1.460 138 2HE LYS 7 1HE LYS 7 -3.567 -12.504 -1.575 139 1HZ LYS 7 1HZ LYS 7 -4.024 -14.236 0.812 140 2HZ LYS 7 2HZ LYS 7 -4.404 -12.590 0.708 141 3HZ LYS 7 3HZ LYS 7 -2.784 -13.092 0.644 142 H ILE 8 HN ILE 8 -8.112 -10.398 -4.678 143 HA ILE 8 HA ILE 8 -10.425 -11.707 -5.948 144 HB ILE 8 HB ILE 8 -10.714 -9.111 -4.458 145 1HG1 ILE 8 2HG1 ILE 8 -10.983 -11.862 -3.205 146 2HG1 ILE 8 1HG1 ILE 8 -9.656 -10.748 -2.888 147 1HG2 ILE 8 1HG2 ILE 8 -13.031 -9.893 -4.218 148 2HG2 ILE 8 2HG2 ILE 8 -12.611 -11.387 -5.053 149 3HG2 ILE 8 3HG2 ILE 8 -12.530 -9.848 -5.909 150 1HD1 ILE 8 1HD1 ILE 8 -11.306 -10.703 -1.106 151 2HD1 ILE 8 2HD1 ILE 8 -12.562 -10.261 -2.263 152 3HD1 ILE 8 3HD1 ILE 8 -11.232 -9.149 -1.935 153 H ASN 9 HN ASN 9 -7.902 -9.512 -6.146 154 HA ASN 9 HA ASN 9 -7.357 -7.694 -7.385 155 1HB ASN 9 2HB ASN 9 -7.413 -8.069 -9.766 156 2HB ASN 9 1HB ASN 9 -7.029 -9.570 -8.950 157 1HD2 ASN 9 1HD2 ASN 9 -8.414 -11.289 -9.121 158 2HD2 ASN 9 2HD2 ASN 9 -9.768 -11.309 -10.194 159 H GLU 10 HN GLU 10 -9.838 -7.349 -6.049 160 HA GLU 10 HA GLU 10 -11.531 -5.868 -7.860 161 1HB GLU 10 2HB GLU 10 -12.861 -5.361 -5.861 162 2HB GLU 10 1HB GLU 10 -12.552 -7.084 -6.005 163 1HG GLU 10 2HG GLU 10 -10.898 -7.010 -4.289 164 2HG GLU 10 1HG GLU 10 -10.953 -5.247 -4.236 165 H ALA 11 HN ALA 11 -12.218 -3.625 -6.574 166 HA ALA 11 HA ALA 11 -9.686 -2.115 -6.554 167 1HB ALA 11 1HB ALA 11 -12.459 -1.149 -7.267 168 2HB ALA 11 2HB ALA 11 -11.174 -1.531 -8.414 169 3HB ALA 11 3HB ALA 11 -10.983 -0.183 -7.295 170 H ILE 12 HN ILE 12 -9.324 -0.638 -4.899 171 HA ILE 12 HA ILE 12 -11.140 -0.996 -2.613 172 HB ILE 12 HB ILE 12 -8.279 -0.022 -2.516 173 1HG1 ILE 12 2HG1 ILE 12 -8.307 -2.305 -3.399 174 2HG1 ILE 12 1HG1 ILE 12 -7.679 -2.290 -1.755 175 1HG2 ILE 12 1HG2 ILE 12 -10.129 -1.064 -0.372 176 2HG2 ILE 12 2HG2 ILE 12 -9.636 0.614 -0.604 177 3HG2 ILE 12 3HG2 ILE 12 -8.445 -0.600 -0.138 178 1HD1 ILE 12 1HD1 ILE 12 -9.157 -4.176 -2.121 179 2HD1 ILE 12 2HD1 ILE 12 -10.466 -3.081 -2.569 180 3HD1 ILE 12 3HD1 ILE 12 -9.832 -3.072 -0.922 181 H GLN 13 HN GLN 13 -12.543 0.625 -2.543 182 HA GLN 13 HA GLN 13 -11.528 3.375 -2.822 183 1HB GLN 13 2HB GLN 13 -13.296 2.959 -4.397 184 2HB GLN 13 1HB GLN 13 -14.306 2.235 -3.155 185 1HG GLN 13 2HG GLN 13 -15.223 4.352 -3.462 186 2HG GLN 13 1HG GLN 13 -14.240 4.519 -2.009 187 1HE2 GLN 13 1HE2 GLN 13 -12.241 5.645 -2.168 188 2HE2 GLN 13 2HE2 GLN 13 -11.946 6.766 -3.454 189 H ILE 14 HN ILE 14 -10.912 3.972 -0.823 190 HA ILE 14 HA ILE 14 -12.887 3.574 1.319 191 HB ILE 14 HB ILE 14 -11.022 3.751 2.956 192 1HG1 ILE 14 2HG1 ILE 14 -9.424 4.765 1.180 193 2HG1 ILE 14 1HG1 ILE 14 -8.766 3.646 2.366 194 1HG2 ILE 14 1HG2 ILE 14 -10.265 1.427 2.652 195 2HG2 ILE 14 2HG2 ILE 14 -10.940 1.445 1.022 196 3HG2 ILE 14 3HG2 ILE 14 -12.005 1.620 2.416 197 1HD1 ILE 14 1HD1 ILE 14 -9.493 2.982 -0.479 198 2HD1 ILE 14 2HD1 ILE 14 -8.838 1.856 0.706 199 3HD1 ILE 14 3HD1 ILE 14 -7.867 3.223 0.157 200 H GLY 15 HN GLY 15 -13.886 5.340 1.882 201 1HA GLY 15 2HA GLY 15 -14.218 7.452 2.708 202 2HA GLY 15 1HA GLY 15 -12.481 7.558 2.927 203 H ALA 16 HN ALA 16 -13.454 6.893 -0.255 204 HA ALA 16 HA ALA 16 -13.510 8.057 -2.192 205 1HB ALA 16 1HB ALA 16 -14.186 10.456 -0.502 206 2HB ALA 16 2HB ALA 16 -15.348 9.277 -1.105 207 3HB ALA 16 3HB ALA 16 -14.442 10.281 -2.236 208 H ASP 17 HN ASP 17 -11.106 8.404 -0.024 209 HA ASP 17 HA ASP 17 -9.676 10.501 -1.465 210 1HB ASP 17 2HB ASP 17 -9.404 10.423 0.975 211 2HB ASP 17 1HB ASP 17 -8.764 8.785 0.874 212 H ILE 18 HN ILE 18 -9.426 7.041 -0.826 213 HA ILE 18 HA ILE 18 -7.595 6.853 -3.119 214 HB ILE 18 HB ILE 18 -7.619 5.243 -0.565 215 1HG1 ILE 18 2HG1 ILE 18 -6.421 7.390 -0.488 216 2HG1 ILE 18 1HG1 ILE 18 -5.313 6.028 -0.356 217 1HG2 ILE 18 1HG2 ILE 18 -6.062 4.714 -3.096 218 2HG2 ILE 18 2HG2 ILE 18 -7.303 3.683 -2.385 219 3HG2 ILE 18 3HG2 ILE 18 -5.772 3.925 -1.547 220 1HD1 ILE 18 1HD1 ILE 18 -4.405 7.758 -1.787 221 2HD1 ILE 18 2HD1 ILE 18 -5.823 7.658 -2.832 222 3HD1 ILE 18 3HD1 ILE 18 -4.718 6.287 -2.710 223 H GLU 19 HN GLU 19 -8.691 6.058 -4.800 224 HA GLU 19 HA GLU 19 -9.777 3.363 -4.395 225 1HB GLU 19 2HB GLU 19 -11.681 4.855 -4.950 226 2HB GLU 19 1HB GLU 19 -10.853 5.331 -6.430 227 1HG GLU 19 2HG GLU 19 -10.874 2.970 -7.163 228 2HG GLU 19 1HG GLU 19 -11.792 2.558 -5.719 229 H VAL 20 HN VAL 20 -8.413 2.014 -5.299 230 HA VAL 20 HA VAL 20 -7.573 2.257 -7.991 231 HB VAL 20 HB VAL 20 -6.060 3.940 -7.021 232 1HG1 VAL 20 1HG1 VAL 20 -5.872 3.110 -4.762 233 2HG1 VAL 20 2HG1 VAL 20 -4.270 3.262 -5.481 234 3HG1 VAL 20 3HG1 VAL 20 -5.021 1.674 -5.330 235 1HG2 VAL 20 1HG2 VAL 20 -4.672 1.420 -7.919 236 2HG2 VAL 20 2HG2 VAL 20 -3.940 3.023 -7.868 237 3HG2 VAL 20 3HG2 VAL 20 -5.294 2.706 -8.951 238 H LYS 21 HN LYS 21 -6.852 0.326 -8.763 239 HA LYS 21 HA LYS 21 -5.873 -1.616 -6.807 240 1HB LYS 21 2HB LYS 21 -6.918 -3.381 -8.450 241 2HB LYS 21 1HB LYS 21 -7.867 -2.670 -7.158 242 1HG LYS 21 2HG LYS 21 -9.299 -2.623 -8.966 243 2HG LYS 21 1HG LYS 21 -8.644 -0.986 -8.939 244 1HD LYS 21 2HD LYS 21 -7.217 -1.428 -10.766 245 2HD LYS 21 1HD LYS 21 -7.475 -3.169 -10.644 246 1HE LYS 21 2HE LYS 21 -9.741 -2.944 -11.386 247 2HE LYS 21 1HE LYS 21 -9.633 -1.185 -11.330 248 1HZ LYS 21 1HZ LYS 21 -9.389 -2.337 -13.579 249 2HZ LYS 21 2HZ LYS 21 -7.828 -2.759 -13.060 250 3HZ LYS 21 3HZ LYS 21 -8.270 -1.127 -13.181 251 H VAL 22 HN VAL 22 -3.761 -1.390 -7.252 252 HA VAL 22 HA VAL 22 -2.913 -1.844 -10.015 253 HB VAL 22 HB VAL 22 -1.202 -1.347 -7.563 254 1HG1 VAL 22 1HG1 VAL 22 -0.027 -2.538 -9.341 255 2HG1 VAL 22 2HG1 VAL 22 0.576 -0.887 -9.179 256 3HG1 VAL 22 3HG1 VAL 22 -0.515 -1.302 -10.501 257 1HG2 VAL 22 1HG2 VAL 22 -2.627 0.569 -8.066 258 2HG2 VAL 22 2HG2 VAL 22 -2.060 0.557 -9.737 259 3HG2 VAL 22 3HG2 VAL 22 -0.936 0.920 -8.428 260 H ILE 23 HN ILE 23 -2.947 -3.909 -10.595 261 HA ILE 23 HA ILE 23 -2.793 -5.928 -8.504 262 HB ILE 23 HB ILE 23 -3.517 -6.256 -11.411 263 1HG1 ILE 23 2HG1 ILE 23 -5.366 -6.169 -9.022 264 2HG1 ILE 23 1HG1 ILE 23 -5.035 -4.759 -10.023 265 1HG2 ILE 23 1HG2 ILE 23 -3.859 -8.112 -9.059 266 2HG2 ILE 23 2HG2 ILE 23 -2.730 -8.323 -10.397 267 3HG2 ILE 23 3HG2 ILE 23 -4.467 -8.402 -10.690 268 1HD1 ILE 23 1HD1 ILE 23 -7.129 -5.826 -10.638 269 2HD1 ILE 23 2HD1 ILE 23 -6.280 -7.338 -10.958 270 3HD1 ILE 23 3HD1 ILE 23 -5.962 -5.920 -11.958 271 H ALA 24 HN ALA 24 -1.033 -6.972 -8.106 272 HA ALA 24 HA ALA 24 0.984 -7.282 -10.222 273 1HB ALA 24 1HB ALA 24 1.675 -5.533 -8.637 274 2HB ALA 24 2HB ALA 24 2.740 -6.935 -8.573 275 3HB ALA 24 3HB ALA 24 1.532 -6.690 -7.312 276 H VAL 25 HN VAL 25 2.155 -9.198 -10.185 277 HA VAL 25 HA VAL 25 0.814 -11.366 -8.778 278 HB VAL 25 HB VAL 25 3.046 -11.540 -10.812 279 1HG1 VAL 25 1HG1 VAL 25 2.293 -13.867 -11.058 280 2HG1 VAL 25 2HG1 VAL 25 1.116 -13.614 -9.769 281 3HG1 VAL 25 3HG1 VAL 25 2.842 -13.523 -9.418 282 1HG2 VAL 25 1HG2 VAL 25 1.076 -10.455 -11.780 283 2HG2 VAL 25 2HG2 VAL 25 0.066 -11.795 -11.234 284 3HG2 VAL 25 3HG2 VAL 25 1.311 -12.069 -12.453 285 H GLU 26 HN GLU 26 1.545 -12.049 -6.907 286 HA GLU 26 HA GLU 26 4.116 -11.161 -5.910 287 1HB GLU 26 2HB GLU 26 1.730 -11.440 -4.700 288 2HB GLU 26 1HB GLU 26 2.407 -13.033 -4.344 289 1HG GLU 26 2HG GLU 26 4.460 -11.744 -3.500 290 2HG GLU 26 1HG GLU 26 3.415 -10.320 -3.546 291 H GLY 27 HN GLY 27 4.209 -13.024 -8.066 292 1HA GLY 27 2HA GLY 27 5.540 -14.844 -8.602 293 2HA GLY 27 1HA GLY 27 5.860 -15.062 -6.886 294 H ASP 28 HN ASP 28 3.650 -15.642 -5.686 295 HA ASP 28 HA ASP 28 2.330 -17.761 -7.237 296 1HB ASP 28 2HB ASP 28 4.109 -18.693 -5.758 297 2HB ASP 28 1HB ASP 28 3.267 -18.013 -4.372 298 H GLN 29 HN GLN 29 1.769 -14.950 -6.011 299 HA GLN 29 HA GLN 29 -0.875 -15.629 -4.965 300 1HB GLN 29 2HB GLN 29 0.598 -15.386 -3.019 301 2HB GLN 29 1HB GLN 29 1.119 -13.813 -3.601 302 1HG GLN 29 2HG GLN 29 -0.844 -12.789 -3.013 303 2HG GLN 29 1HG GLN 29 -1.772 -14.290 -3.051 304 1HE2 GLN 29 1HE2 GLN 29 0.409 -12.304 -1.210 305 2HE2 GLN 29 2HE2 GLN 29 0.199 -13.128 0.299 306 H VAL 30 HN VAL 30 -2.409 -13.884 -5.161 307 HA VAL 30 HA VAL 30 -1.514 -11.796 -7.019 308 HB VAL 30 HB VAL 30 -3.936 -11.581 -7.687 309 1HG1 VAL 30 1HG1 VAL 30 -2.407 -12.729 -9.149 310 2HG1 VAL 30 2HG1 VAL 30 -3.932 -13.615 -9.114 311 3HG1 VAL 30 3HG1 VAL 30 -2.546 -14.210 -8.199 312 1HG2 VAL 30 1HG2 VAL 30 -4.193 -14.171 -6.160 313 2HG2 VAL 30 2HG2 VAL 30 -5.416 -13.492 -7.232 314 3HG2 VAL 30 3HG2 VAL 30 -4.962 -12.638 -5.757 315 H LYS 31 HN LYS 31 -1.480 -9.811 -6.317 316 HA LYS 31 HA LYS 31 -3.216 -9.071 -4.095 317 1HB LYS 31 2HB LYS 31 -1.402 -8.195 -2.805 318 2HB LYS 31 1HB LYS 31 -1.039 -9.865 -3.221 319 1HG LYS 31 2HG LYS 31 0.337 -8.922 -5.132 320 2HG LYS 31 1HG LYS 31 0.139 -7.350 -4.366 321 1HD LYS 31 2HD LYS 31 1.473 -9.796 -3.239 322 2HD LYS 31 1HD LYS 31 2.204 -8.231 -3.608 323 1HE LYS 31 2HE LYS 31 0.971 -7.175 -1.838 324 2HE LYS 31 1HE LYS 31 0.055 -8.655 -1.543 325 1HZ LYS 31 1HZ LYS 31 1.843 -8.379 0.064 326 2HZ LYS 31 2HZ LYS 31 2.984 -8.364 -1.192 327 3HZ LYS 31 3HZ LYS 31 2.075 -9.765 -0.891 328 H LEU 32 HN LEU 32 -3.647 -6.869 -3.890 329 HA LEU 32 HA LEU 32 -3.172 -5.311 -6.323 330 1HB LEU 32 2HB LEU 32 -4.955 -3.870 -5.555 331 2HB LEU 32 1HB LEU 32 -5.481 -5.531 -5.527 332 HG LEU 32 HG LEU 32 -4.672 -5.308 -2.976 333 1HD1 LEU 32 1HD1 LEU 32 -5.658 -2.560 -3.723 334 2HD1 LEU 32 2HD1 LEU 32 -4.035 -2.970 -3.169 335 3HD1 LEU 32 3HD1 LEU 32 -5.411 -3.157 -2.084 336 1HD2 LEU 32 1HD2 LEU 32 -7.028 -4.975 -2.413 337 2HD2 LEU 32 2HD2 LEU 32 -6.834 -6.119 -3.744 338 3HD2 LEU 32 3HD2 LEU 32 -7.351 -4.464 -4.070 339 H GLY 33 HN GLY 33 -2.661 -2.967 -5.990 340 1HA GLY 33 2HA GLY 33 -1.301 -2.445 -3.445 341 2HA GLY 33 1HA GLY 33 -0.411 -2.251 -4.947 342 H ILE 34 HN ILE 34 -1.285 -0.317 -2.808 343 HA ILE 34 HA ILE 34 -2.649 1.528 -4.640 344 HB ILE 34 HB ILE 34 -3.338 2.890 -2.803 345 1HG1 ILE 34 2HG1 ILE 34 -2.196 1.054 -0.734 346 2HG1 ILE 34 1HG1 ILE 34 -1.155 2.290 -1.453 347 1HG2 ILE 34 1HG2 ILE 34 -4.753 1.323 -1.542 348 2HG2 ILE 34 2HG2 ILE 34 -3.817 -0.017 -2.206 349 3HG2 ILE 34 3HG2 ILE 34 -4.760 1.017 -3.280 350 1HD1 ILE 34 1HD1 ILE 34 -2.729 4.013 -0.747 351 2HD1 ILE 34 2HD1 ILE 34 -2.169 3.054 0.623 352 3HD1 ILE 34 3HD1 ILE 34 -3.774 2.777 -0.050 353 H ASP 35 HN ASP 35 -1.247 2.694 -5.764 354 HA ASP 35 HA ASP 35 1.039 3.771 -4.281 355 1HB ASP 35 2HB ASP 35 2.267 4.036 -6.315 356 2HB ASP 35 1HB ASP 35 1.641 2.396 -6.295 357 H ALA 36 HN ALA 36 1.382 5.898 -4.230 358 HA ALA 36 HA ALA 36 -0.618 7.649 -5.445 359 1HB ALA 36 1HB ALA 36 -1.011 8.770 -3.309 360 2HB ALA 36 2HB ALA 36 0.061 7.628 -2.501 361 3HB ALA 36 3HB ALA 36 -1.452 7.065 -3.210 362 HA PRO 37 HA PRO 37 2.883 10.391 -5.953 363 1HB PRO 37 2HB PRO 37 1.665 12.814 -5.704 364 2HB PRO 37 1HB PRO 37 1.514 11.808 -7.150 365 1HG PRO 37 2HG PRO 37 -0.374 12.102 -4.840 366 2HG PRO 37 1HG PRO 37 -0.730 12.074 -6.578 367 1HD PRO 37 2HD PRO 37 -1.082 9.914 -5.018 368 2HD PRO 37 1HD PRO 37 -0.546 9.769 -6.706 369 H LYS 38 HN LYS 38 2.036 9.391 -3.258 370 HA LYS 38 HA LYS 38 2.643 9.567 -1.108 371 1HB LYS 38 2HB LYS 38 4.728 10.645 -2.607 372 2HB LYS 38 1HB LYS 38 4.494 11.776 -1.279 373 1HG LYS 38 2HG LYS 38 4.999 8.818 -1.058 374 2HG LYS 38 1HG LYS 38 6.143 10.112 -0.698 375 1HD LYS 38 2HD LYS 38 3.921 10.737 0.828 376 2HD LYS 38 1HD LYS 38 4.034 8.973 0.931 377 1HE LYS 38 2HE LYS 38 6.073 9.011 1.967 378 2HE LYS 38 1HE LYS 38 6.533 10.561 1.256 379 1HZ LYS 38 1HZ LYS 38 4.961 11.655 2.751 380 2HZ LYS 38 2HZ LYS 38 6.128 10.785 3.614 381 3HZ LYS 38 3HZ LYS 38 4.566 10.162 3.453 382 H HIS 39 HN HIS 39 0.450 11.192 -2.129 383 HA HIS 39 HA HIS 39 0.282 13.601 -0.689 384 1HB HIS 39 2HB HIS 39 -2.032 13.570 -1.162 385 2HB HIS 39 1HB HIS 39 -1.326 12.670 -2.499 386 HD1 HIS 39 1HD HIS 39 -0.995 9.964 -0.945 387 HD2 HIS 39 2HD HIS 39 -4.459 12.244 -1.032 388 HE1 HIS 39 1HE HIS 39 -2.811 8.419 -0.265 389 HE2 HIS 39 2HE HIS 39 -4.925 9.822 -0.240 390 H ILE 40 HN ILE 40 -1.426 13.773 1.180 391 HA ILE 40 HA ILE 40 -0.516 12.139 3.351 392 HB ILE 40 HB ILE 40 -2.016 13.445 4.763 393 1HG1 ILE 40 2HG1 ILE 40 -3.723 13.662 2.792 394 2HG1 ILE 40 1HG1 ILE 40 -3.627 14.934 4.011 395 1HG2 ILE 40 1HG2 ILE 40 0.165 14.347 4.346 396 2HG2 ILE 40 2HG2 ILE 40 -1.003 15.667 4.421 397 3HG2 ILE 40 3HG2 ILE 40 -0.394 15.113 2.861 398 1HD1 ILE 40 1HD1 ILE 40 -2.525 14.975 1.209 399 2HD1 ILE 40 2HD1 ILE 40 -2.134 16.189 2.427 400 3HD1 ILE 40 3HD1 ILE 40 -3.802 15.982 1.891 401 H ASP 41 HN ASP 41 -1.903 10.830 4.660 402 HA ASP 41 HA ASP 41 -3.981 9.587 3.024 403 1HB ASP 41 2HB ASP 41 -3.680 7.630 4.608 404 2HB ASP 41 1HB ASP 41 -2.271 8.072 3.633 405 H ILE 42 HN ILE 42 -5.898 10.365 3.378 406 HA ILE 42 HA ILE 42 -6.685 11.535 5.883 407 HB ILE 42 HB ILE 42 -8.457 10.875 3.527 408 1HG1 ILE 42 2HG1 ILE 42 -6.505 12.162 2.769 409 2HG1 ILE 42 1HG1 ILE 42 -7.988 13.101 2.653 410 1HG2 ILE 42 1HG2 ILE 42 -8.697 13.000 5.653 411 2HG2 ILE 42 2HG2 ILE 42 -9.620 11.499 5.582 412 3HG2 ILE 42 3HG2 ILE 42 -9.827 12.718 4.327 413 1HD1 ILE 42 1HD1 ILE 42 -7.393 14.264 4.729 414 2HD1 ILE 42 2HD1 ILE 42 -6.170 14.469 3.475 415 3HD1 ILE 42 3HD1 ILE 42 -5.894 13.339 4.801 416 H HIS 43 HN HIS 43 -8.260 10.684 7.338 417 HA HIS 43 HA HIS 43 -9.150 7.947 6.746 418 1HB HIS 43 2HB HIS 43 -8.072 8.750 9.451 419 2HB HIS 43 1HB HIS 43 -8.687 7.166 8.979 420 HD1 HIS 43 1HD HIS 43 -5.702 8.233 9.966 421 HD2 HIS 43 2HD HIS 43 -6.907 6.736 6.277 422 HE1 HIS 43 1HE HIS 43 -3.619 7.340 8.901 423 HE2 HIS 43 2HE HIS 43 -4.318 6.729 6.572 424 H ARG 44 HN ARG 44 -10.863 7.201 8.051 425 HA ARG 44 HA ARG 44 -12.507 9.264 9.334 426 1HB ARG 44 2HB ARG 44 -13.454 7.781 7.477 427 2HB ARG 44 1HB ARG 44 -13.261 6.423 8.570 428 1HG ARG 44 2HG ARG 44 -14.838 7.446 10.127 429 2HG ARG 44 1HG ARG 44 -15.020 8.825 9.036 430 1HD ARG 44 2HD ARG 44 -16.828 7.109 8.844 431 2HD ARG 44 1HD ARG 44 -15.974 7.439 7.337 432 HE ARG 44 HE ARG 44 -15.397 5.089 9.036 433 1HH1 ARG 44 1HH1 ARG 44 -15.926 6.557 5.899 434 2HH1 ARG 44 2HH1 ARG 44 -15.601 5.089 5.017 435 1HH2 ARG 44 1HH2 ARG 44 -14.952 3.177 7.890 436 2HH2 ARG 44 2HH2 ARG 44 -15.043 3.158 6.151 437 H LYS 45 HN LYS 45 -13.846 7.360 11.059 438 HA LYS 45 HA LYS 45 -12.080 7.261 13.227 439 1HB LYS 45 2HB LYS 45 -14.495 7.304 13.500 440 2HB LYS 45 1HB LYS 45 -14.642 5.740 12.716 441 1HG LYS 45 2HG LYS 45 -13.656 4.621 14.550 442 2HG LYS 45 1HG LYS 45 -13.124 6.141 15.278 443 1HD LYS 45 2HD LYS 45 -15.424 6.795 15.670 444 2HD LYS 45 1HD LYS 45 -16.004 5.341 14.856 445 1HE LYS 45 2HE LYS 45 -14.222 5.223 17.273 446 2HE LYS 45 1HE LYS 45 -15.976 5.331 17.407 447 1HZ LYS 45 1HZ LYS 45 -14.505 3.192 15.950 448 2HZ LYS 45 2HZ LYS 45 -16.185 3.287 16.173 449 3HZ LYS 45 3HZ LYS 45 -15.164 3.039 17.505 450 H GLU 46 HN GLU 46 -10.391 6.003 13.557 451 HA GLU 46 HA GLU 46 -9.126 4.151 13.881 452 1HB GLU 46 2HB GLU 46 -11.605 2.650 13.032 453 2HB GLU 46 1HB GLU 46 -10.160 1.906 13.708 454 1HG GLU 46 2HG GLU 46 -10.479 3.031 15.793 455 2HG GLU 46 1HG GLU 46 -11.800 3.990 15.126 456 H ILE 47 HN ILE 47 -8.792 5.526 11.556 457 HA ILE 47 HA ILE 47 -8.030 5.518 9.434 458 HB ILE 47 HB ILE 47 -6.114 4.188 8.970 459 1HG1 ILE 47 2HG1 ILE 47 -6.848 2.476 11.365 460 2HG1 ILE 47 1HG1 ILE 47 -6.992 1.983 9.679 461 1HG2 ILE 47 1HG2 ILE 47 -4.781 4.644 10.973 462 2HG2 ILE 47 2HG2 ILE 47 -6.258 4.863 11.908 463 3HG2 ILE 47 3HG2 ILE 47 -5.874 5.978 10.598 464 1HD1 ILE 47 1HD1 ILE 47 -4.397 2.757 10.993 465 2HD1 ILE 47 2HD1 ILE 47 -4.623 2.043 9.391 466 3HD1 ILE 47 3HD1 ILE 47 -4.985 1.101 10.837 467 H TYR 48 HN TYR 48 -9.097 5.231 7.676 468 HA TYR 48 HA TYR 48 -10.441 2.709 7.225 469 1HB TYR 48 2HB TYR 48 -11.818 3.860 5.647 470 2HB TYR 48 1HB TYR 48 -11.659 4.836 7.097 471 HD1 TYR 48 1HD TYR 48 -9.104 4.767 4.412 472 HD2 TYR 48 2HD TYR 48 -12.350 6.845 6.189 473 HE1 TYR 48 1HE TYR 48 -8.621 6.723 2.995 474 HE2 TYR 48 2HE TYR 48 -11.867 8.814 4.812 475 HH TYR 48 HH TYR 48 -9.989 9.786 3.576 476 H LEU 49 HN LEU 49 -7.501 3.876 6.492 477 HA LEU 49 HA LEU 49 -7.396 2.804 3.747 478 1HB LEU 49 2HB LEU 49 -6.319 5.187 4.972 479 2HB LEU 49 1HB LEU 49 -5.013 4.184 4.370 480 HG LEU 49 HG LEU 49 -7.346 5.073 2.681 481 1HD1 LEU 49 1HD1 LEU 49 -4.580 6.249 2.933 482 2HD1 LEU 49 2HD1 LEU 49 -6.095 7.023 3.393 483 3HD1 LEU 49 3HD1 LEU 49 -5.760 6.682 1.696 484 1HD2 LEU 49 1HD2 LEU 49 -6.235 3.047 1.904 485 2HD2 LEU 49 2HD2 LEU 49 -4.674 3.860 1.982 486 3HD2 LEU 49 3HD2 LEU 49 -5.893 4.401 0.826 487 H THR 50 HN THR 50 -4.985 3.364 6.258 488 HA THR 50 HA THR 50 -3.668 1.964 7.444 489 HB THR 50 HB THR 50 -5.301 -0.247 6.228 490 HG1 THR 50 1HG THR 50 -6.592 -0.088 7.998 491 1HG2 THR 50 1HG2 THR 50 -3.494 -0.249 8.646 492 2HG2 THR 50 2HG2 THR 50 -3.190 -1.082 7.120 493 3HG2 THR 50 3HG2 THR 50 -4.532 -1.586 8.148 494 H ILE 51 HN ILE 51 -4.201 1.265 4.076 495 HA ILE 51 HA ILE 51 -1.999 -0.421 3.627 496 HB ILE 51 HB ILE 51 -2.897 1.435 1.448 497 1HG1 ILE 51 2HG1 ILE 51 -4.538 -0.872 2.530 498 2HG1 ILE 51 1HG1 ILE 51 -4.930 0.842 2.740 499 1HG2 ILE 51 1HG2 ILE 51 -2.748 -0.628 0.125 500 2HG2 ILE 51 2HG2 ILE 51 -2.309 -1.517 1.586 501 3HG2 ILE 51 3HG2 ILE 51 -1.237 -0.263 0.962 502 1HD1 ILE 51 1HD1 ILE 51 -6.259 -0.164 0.971 503 2HD1 ILE 51 2HD1 ILE 51 -4.787 -0.636 0.120 504 3HD1 ILE 51 3HD1 ILE 51 -5.180 1.070 0.323 505 H GLN 52 HN GLN 52 -2.212 3.056 2.647 506 HA GLN 52 HA GLN 52 0.688 3.098 2.729 507 1HB GLN 52 2HB GLN 52 0.669 5.240 1.747 508 2HB GLN 52 1HB GLN 52 -0.528 4.279 0.881 509 1HG GLN 52 2HG GLN 52 -2.310 5.453 1.832 510 2HG GLN 52 1HG GLN 52 -1.308 6.096 3.134 511 1HE2 GLN 52 1HE2 GLN 52 -1.667 8.226 2.769 512 2HE2 GLN 52 2HE2 GLN 52 -1.154 9.061 1.348 513 H GLU 53 HN GLU 53 -1.655 3.458 4.971 514 HA GLU 53 HA GLU 53 -0.389 5.566 6.465 515 1HB GLU 53 2HB GLU 53 -2.468 5.656 7.234 516 2HB GLU 53 1HB GLU 53 -2.837 4.077 6.606 517 1HG GLU 53 2HG GLU 53 -3.234 3.823 8.856 518 2HG GLU 53 1HG GLU 53 -1.597 3.204 8.690 519 H GLU 54 HN GLU 54 -0.633 2.055 6.531 520 HA GLU 54 HA GLU 54 1.281 1.639 8.572 521 1HB GLU 54 2HB GLU 54 0.088 -0.050 6.380 522 2HB GLU 54 1HB GLU 54 1.442 -0.667 7.349 523 1HG GLU 54 2HG GLU 54 -1.318 0.106 8.262 524 2HG GLU 54 1HG GLU 54 -0.542 -1.473 8.353 525 H ASN 55 HN ASN 55 1.479 1.640 5.027 526 HA ASN 55 HA ASN 55 4.321 1.399 4.930 527 1HB ASN 55 2HB ASN 55 2.911 0.784 3.018 528 2HB ASN 55 1HB ASN 55 2.377 2.454 2.866 529 1HD2 ASN 55 1HD2 ASN 55 5.647 1.484 3.608 530 2HD2 ASN 55 2HD2 ASN 55 6.357 2.028 2.119 531 H ASN 56 HN ASN 56 3.063 4.035 3.123 532 HA ASN 56 HA ASN 56 3.246 6.298 3.206 533 1HB ASN 56 2HB ASN 56 2.301 6.063 5.450 534 2HB ASN 56 1HB ASN 56 3.927 5.857 6.110 535 1HD2 ASN 56 1HD2 ASN 56 1.555 8.065 5.008 536 2HD2 ASN 56 2HD2 ASN 56 2.426 9.522 5.339 537 H ARG 57 HN ARG 57 5.828 4.491 4.678 538 HA ARG 57 HA ARG 57 7.814 6.419 3.752 539 1HB ARG 57 2HB ARG 57 8.811 6.026 6.187 540 2HB ARG 57 1HB ARG 57 7.629 7.296 5.875 541 1HG ARG 57 2HG ARG 57 6.304 6.395 7.403 542 2HG ARG 57 1HG ARG 57 6.159 4.964 6.373 543 1HD ARG 57 2HD ARG 57 8.310 4.153 7.461 544 2HD ARG 57 1HD ARG 57 8.068 5.437 8.649 545 HE ARG 57 HE ARG 57 5.735 4.293 8.859 546 1HH1 ARG 57 1HH1 ARG 57 8.841 2.720 8.521 547 2HH1 ARG 57 2HH1 ARG 57 8.300 1.232 9.221 548 1HH2 ARG 57 1HH2 ARG 57 5.027 2.357 9.804 549 2HH2 ARG 57 2HH2 ARG 57 6.131 1.028 9.978 550 H ALA 58 HN ALA 58 7.300 3.344 5.515 551 HA ALA 58 HA ALA 58 9.296 2.044 3.927 552 1HB ALA 58 1HB ALA 58 10.743 3.258 5.468 553 2HB ALA 58 2HB ALA 58 10.848 1.519 5.738 554 3HB ALA 58 3HB ALA 58 9.906 2.527 6.836 555 H ALA 59 HN ALA 59 7.364 0.790 3.597 556 HA ALA 59 HA ALA 59 6.754 -1.081 5.767 557 1HB ALA 59 1HB ALA 59 4.876 -0.040 4.562 558 2HB ALA 59 2HB ALA 59 4.877 -1.799 4.441 559 3HB ALA 59 3HB ALA 59 5.425 -0.819 3.078 560 H ALA 60 HN ALA 60 6.461 -3.395 5.078 561 HA ALA 60 HA ALA 60 8.938 -4.233 3.758 562 1HB ALA 60 1HB ALA 60 8.544 -6.385 4.812 563 2HB ALA 60 2HB ALA 60 6.980 -5.824 5.404 564 3HB ALA 60 3HB ALA 60 8.466 -5.085 6.002 565 H LEU 61 HN LEU 61 8.306 -6.782 2.940 566 HA LEU 61 HA LEU 61 6.453 -6.246 0.722 567 1HB LEU 61 2HB LEU 61 7.719 -7.722 -0.644 568 2HB LEU 61 1HB LEU 61 8.846 -6.636 0.140 569 HG LEU 61 HG LEU 61 8.323 -9.425 1.160 570 1HD1 LEU 61 1HD1 LEU 61 10.468 -8.510 -0.750 571 2HD1 LEU 61 2HD1 LEU 61 9.109 -9.563 -1.145 572 3HD1 LEU 61 3HD1 LEU 61 10.346 -10.107 -0.012 573 1HD2 LEU 61 1HD2 LEU 61 10.589 -7.478 1.579 574 2HD2 LEU 61 2HD2 LEU 61 10.520 -9.121 2.211 575 3HD2 LEU 61 3HD2 LEU 61 9.356 -7.917 2.762 576 H SER 62 HN SER 62 5.423 -8.230 -0.203 577 HA SER 62 HA SER 62 3.889 -9.858 -0.032 578 1HB SER 62 2HB SER 62 5.988 -10.888 1.854 579 2HB SER 62 1HB SER 62 4.576 -11.836 1.385 580 HG SER 62 HG SER 62 5.320 -11.995 -0.629 581 H SER 63 HN SER 63 4.707 -10.323 3.360 582 HA SER 63 HA SER 63 1.957 -9.942 4.079 583 1HB SER 63 2HB SER 63 3.379 -11.734 5.068 584 2HB SER 63 1HB SER 63 4.318 -10.478 5.877 585 HG SER 63 HG SER 63 2.054 -9.827 6.655 586 H ASP 64 HN ASP 64 4.741 -8.010 3.946 587 HA ASP 64 HA ASP 64 5.430 -6.079 4.916 588 1HB ASP 64 2HB ASP 64 3.735 -5.099 3.505 589 2HB ASP 64 1HB ASP 64 2.478 -5.464 4.688 590 H VAL 65 HN VAL 65 6.164 -6.844 6.850 591 HA VAL 65 HA VAL 65 4.453 -7.220 9.084 592 HB VAL 65 HB VAL 65 7.456 -6.800 9.043 593 1HG1 VAL 65 1HG1 VAL 65 7.435 -7.925 11.218 594 2HG1 VAL 65 2HG1 VAL 65 5.675 -8.011 11.161 595 3HG1 VAL 65 3HG1 VAL 65 6.477 -6.444 11.257 596 1HG2 VAL 65 1HG2 VAL 65 7.610 -9.242 9.124 597 2HG2 VAL 65 2HG2 VAL 65 6.780 -8.703 7.663 598 3HG2 VAL 65 3HG2 VAL 65 5.853 -9.361 9.012 599 H ILE 66 HN ILE 66 7.236 -5.090 9.178 600 HA ILE 66 HA ILE 66 5.707 -2.663 9.433 601 HB ILE 66 HB ILE 66 7.304 -3.714 11.787 602 1HG1 ILE 66 2HG1 ILE 66 4.442 -2.765 11.516 603 2HG1 ILE 66 1HG1 ILE 66 4.974 -4.421 11.790 604 1HG2 ILE 66 1HG2 ILE 66 6.241 -0.923 11.376 605 2HG2 ILE 66 2HG2 ILE 66 7.939 -1.395 11.375 606 3HG2 ILE 66 3HG2 ILE 66 6.986 -1.537 12.852 607 1HD1 ILE 66 1HD1 ILE 66 5.297 -2.118 13.701 608 2HD1 ILE 66 2HD1 ILE 66 5.836 -3.776 13.981 609 3HD1 ILE 66 3HD1 ILE 66 4.114 -3.421 13.823 610 H SER 67 HN SER 67 8.643 -4.454 9.229 611 HA SER 67 HA SER 67 10.502 -4.120 7.987 612 1HB SER 67 2HB SER 67 9.110 -2.773 6.434 613 2HB SER 67 1HB SER 67 9.451 -1.343 7.404 614 HG SER 67 HG SER 67 11.211 -1.152 6.288 615 H ALA 68 HN ALA 68 9.709 -1.100 9.739 616 HA ALA 68 HA ALA 68 12.473 -0.981 10.691 617 1HB ALA 68 1HB ALA 68 11.844 1.202 11.610 618 2HB ALA 68 2HB ALA 68 10.184 0.943 11.076 619 3HB ALA 68 3HB ALA 68 11.478 1.090 9.888 620 H LEU 69 HN LEU 69 12.999 -1.998 12.466 621 HA LEU 69 HA LEU 69 13.045 -2.732 14.604 622 1HB LEU 69 2HB LEU 69 10.487 -1.180 14.989 623 2HB LEU 69 1HB LEU 69 11.486 -1.858 16.263 624 HG LEU 69 HG LEU 69 12.354 0.315 14.351 625 1HD1 LEU 69 1HD1 LEU 69 10.618 1.076 15.896 626 2HD1 LEU 69 2HD1 LEU 69 12.179 1.796 16.283 627 3HD1 LEU 69 3HD1 LEU 69 11.555 0.467 17.259 628 1HD2 LEU 69 1HD2 LEU 69 14.223 -1.031 15.103 629 2HD2 LEU 69 2HD2 LEU 69 13.696 -0.875 16.778 630 3HD2 LEU 69 3HD2 LEU 69 14.260 0.544 15.897 631 H SER 70 HN SER 70 9.830 -2.884 13.149 632 HA SER 70 HA SER 70 8.399 -4.590 12.791 633 1HB SER 70 2HB SER 70 10.660 -6.303 13.825 634 2HB SER 70 1HB SER 70 9.150 -6.950 13.183 635 HG SER 70 HG SER 70 11.258 -5.643 11.866 636 H SER 71 HN SER 71 10.033 -5.335 15.898 637 HA SER 71 HA SER 71 7.503 -5.908 17.146 638 1HB SER 71 2HB SER 71 10.150 -5.360 18.508 639 2HB SER 71 1HB SER 71 8.774 -6.253 19.160 640 HG SER 71 HG SER 71 9.183 -7.639 17.159 641 H GLN 72 HN GLN 72 9.836 -3.291 17.108 642 HA GLN 72 HA GLN 72 9.726 -1.084 17.522 643 1HB GLN 72 2HB GLN 72 6.782 -1.621 17.250 644 2HB GLN 72 1HB GLN 72 7.417 -0.015 17.578 645 1HG GLN 72 2HG GLN 72 8.806 -0.236 15.512 646 2HG GLN 72 1HG GLN 72 7.932 -1.728 15.160 647 1HE2 GLN 72 1HE2 GLN 72 5.399 -0.782 16.168 648 2HE2 GLN 72 2HE2 GLN 72 4.808 0.375 15.017 649 H LYS 73 HN LYS 73 10.507 -0.521 19.397 650 HA LYS 73 HA LYS 73 9.307 -1.232 21.880 651 1HB LYS 73 2HB LYS 73 11.025 0.244 22.890 652 2HB LYS 73 1HB LYS 73 11.706 -0.946 21.795 653 1HG LYS 73 2HG LYS 73 11.104 1.830 20.852 654 2HG LYS 73 1HG LYS 73 12.587 1.471 21.733 655 1HD LYS 73 2HD LYS 73 11.761 -0.090 19.303 656 2HD LYS 73 1HD LYS 73 12.683 1.410 19.180 657 1HE LYS 73 2HE LYS 73 13.509 -1.080 20.674 658 2HE LYS 73 1HE LYS 73 14.166 -0.524 19.134 659 1HZ LYS 73 1HZ LYS 73 14.467 0.713 21.806 660 2HZ LYS 73 2HZ LYS 73 14.795 1.569 20.379 661 3HZ LYS 73 3HZ LYS 73 15.684 0.173 20.755 662 H LYS 74 HN LYS 74 7.530 -0.331 22.654 663 HA LYS 74 HA LYS 74 7.025 2.506 22.049 664 1HB LYS 74 2HB LYS 74 5.021 0.310 22.628 665 2HB LYS 74 1HB LYS 74 4.621 1.998 22.346 666 1HG LYS 74 2HG LYS 74 5.520 1.819 20.071 667 2HG LYS 74 1HG LYS 74 5.892 0.120 20.362 668 1HD LYS 74 2HD LYS 74 3.518 -0.341 20.728 669 2HD LYS 74 1HD LYS 74 3.140 1.359 20.446 670 1HE LYS 74 2HE LYS 74 4.037 1.164 18.169 671 2HE LYS 74 1HE LYS 74 4.376 -0.542 18.456 672 1HZ LYS 74 1HZ LYS 74 2.017 -0.932 18.765 673 2HZ LYS 74 2HZ LYS 74 2.293 -0.220 17.255 674 3HZ LYS 74 3HZ LYS 74 1.681 0.713 18.530 Start of MODEL 9 1 H HIS -9 H HIS -9 11.908 15.579 -16.599 2 HA HIS -9 HA HIS -9 12.085 15.688 -19.556 3 1HB HIS -9 2HB HIS -9 13.666 16.954 -17.755 4 2HB HIS -9 1HB HIS -9 14.456 15.383 -17.779 5 HD1 HIS -9 1HD HIS -9 14.736 18.553 -19.284 6 HD2 HIS -9 2HD HIS -9 14.962 14.653 -20.726 7 HE1 HIS -9 1HE HIS -9 16.006 18.696 -21.453 8 HE2 HIS -9 2HE HIS -9 16.231 16.313 -22.244 9 H SER -8 HN SER -8 14.402 13.952 -19.454 10 HA SER -8 HA SER -8 13.177 11.453 -19.676 11 1HB SER -8 2HB SER -8 15.709 10.722 -19.561 12 2HB SER -8 1HB SER -8 15.110 11.662 -20.931 13 HG SER -8 HG SER -8 17.065 12.518 -20.025 14 H SER -7 HN SER -7 15.773 12.220 -17.349 15 HA SER -7 HA SER -7 14.722 10.216 -15.539 16 1HB SER -7 2HB SER -7 17.185 10.506 -15.892 17 2HB SER -7 1HB SER -7 17.069 12.084 -15.118 18 HG SER -7 HG SER -7 17.349 9.711 -13.964 19 H GLY -6 HN GLY -6 12.694 11.511 -15.474 20 1HA GLY -6 2HA GLY -6 12.823 13.436 -13.246 21 2HA GLY -6 1HA GLY -6 11.465 13.265 -14.357 22 H HIS -5 HN HIS -5 13.351 10.814 -12.695 23 HA HIS -5 HA HIS -5 10.913 9.389 -12.114 24 1HB HIS -5 2HB HIS -5 12.878 8.231 -13.017 25 2HB HIS -5 1HB HIS -5 13.808 8.664 -11.590 26 HD1 HIS -5 1HD HIS -5 14.222 6.286 -10.780 27 HD2 HIS -5 2HD HIS -5 10.231 7.172 -11.427 28 HE1 HIS -5 1HE HIS -5 12.940 4.323 -9.857 29 HE2 HIS -5 2HE HIS -5 10.508 4.879 -10.247 30 H ILE -4 HN ILE -4 9.804 10.121 -10.441 31 HA ILE -4 HA ILE -4 11.143 11.155 -8.099 32 HB ILE -4 HB ILE -4 9.201 12.361 -8.843 33 1HG1 ILE -4 2HG1 ILE -4 7.804 12.317 -6.781 34 2HG1 ILE -4 1HG1 ILE -4 8.638 10.848 -6.287 35 1HG2 ILE -4 1HG2 ILE -4 6.954 11.395 -8.861 36 2HG2 ILE -4 2HG2 ILE -4 7.636 9.815 -8.476 37 3HG2 ILE -4 3HG2 ILE -4 8.025 10.593 -10.009 38 1HD1 ILE -4 1HD1 ILE -4 9.929 13.532 -6.728 39 2HD1 ILE -4 2HD1 ILE -4 10.745 12.062 -6.193 40 3HD1 ILE -4 3HD1 ILE -4 9.530 12.819 -5.166 41 H GLU -3 HN GLU -3 11.986 9.726 -6.759 42 HA GLU -3 HA GLU -3 10.536 7.230 -6.263 43 1HB GLU -3 2HB GLU -3 13.382 8.010 -5.600 44 2HB GLU -3 1HB GLU -3 12.661 6.446 -5.243 45 1HG GLU -3 2HG GLU -3 12.291 6.097 -7.654 46 2HG GLU -3 1HG GLU -3 13.096 7.634 -7.972 47 H GLY -2 HN GLY -2 10.212 10.078 -5.140 48 1HA GLY -2 2HA GLY -2 10.359 9.534 -2.282 49 2HA GLY -2 1HA GLY -2 9.827 11.036 -3.029 50 H ARG -1 HN ARG -1 8.489 8.403 -4.514 51 HA ARG -1 HA ARG -1 5.879 8.865 -3.305 52 1HB ARG -1 2HB ARG -1 4.970 7.785 -5.203 53 2HB ARG -1 1HB ARG -1 6.314 8.729 -5.835 54 1HG ARG -1 2HG ARG -1 7.690 6.580 -5.564 55 2HG ARG -1 1HG ARG -1 6.122 5.774 -5.407 56 1HD ARG -1 2HD ARG -1 6.933 7.520 -7.733 57 2HD ARG -1 1HD ARG -1 7.051 5.763 -7.719 58 HE ARG -1 HE ARG -1 4.451 6.211 -7.098 59 1HH1 ARG -1 1HH1 ARG -1 6.532 7.330 -9.693 60 2HH1 ARG -1 2HH1 ARG -1 5.250 7.411 -10.857 61 1HH2 ARG -1 1HH2 ARG -1 2.765 6.326 -8.627 62 2HH2 ARG -1 2HH2 ARG -1 3.115 6.845 -10.262 63 H HIS 0 HN HIS 0 4.530 6.833 -2.911 64 HA HIS 0 HA HIS 0 6.193 4.587 -2.073 65 1HB HIS 0 2HB HIS 0 4.897 4.404 0.066 66 2HB HIS 0 1HB HIS 0 5.972 5.789 -0.030 67 HD1 HIS 0 1HD HIS 0 4.957 7.844 0.851 68 HD2 HIS 0 2HD HIS 0 2.112 5.286 -0.743 69 HE1 HIS 0 1HE HIS 0 2.743 8.962 1.277 70 HE2 HIS 0 2HE HIS 0 1.016 7.284 0.510 71 H MET 1 HN MET 1 5.444 2.747 -2.806 72 HA MET 1 HA MET 1 2.549 2.488 -3.275 73 1HB MET 1 2HB MET 1 3.716 2.396 -5.389 74 2HB MET 1 1HB MET 1 4.846 1.210 -4.763 75 1HG MET 1 2HG MET 1 2.963 -0.372 -4.483 76 2HG MET 1 1HG MET 1 1.909 0.814 -5.251 77 1HE MET 1 1HE MET 1 1.184 -1.080 -7.037 78 2HE MET 1 2HE MET 1 2.259 -2.208 -6.213 79 3HE MET 1 3HE MET 1 2.357 -2.016 -7.964 80 H LEU 2 HN LEU 2 1.625 1.219 -1.829 81 HA LEU 2 HA LEU 2 3.266 -0.858 -0.534 82 1HB LEU 2 2HB LEU 2 2.201 1.126 0.788 83 2HB LEU 2 1HB LEU 2 0.699 0.246 0.576 84 HG LEU 2 HG LEU 2 1.808 -0.119 2.788 85 1HD1 LEU 2 1HD1 LEU 2 1.458 -2.514 2.870 86 2HD1 LEU 2 2HD1 LEU 2 1.519 -2.599 1.111 87 3HD1 LEU 2 3HD1 LEU 2 0.203 -1.739 1.906 88 1HD2 LEU 2 1HD2 LEU 2 3.875 -1.542 1.125 89 2HD2 LEU 2 2HD2 LEU 2 3.724 -1.668 2.875 90 3HD2 LEU 2 3HD2 LEU 2 4.123 -0.120 2.135 91 H VAL 3 HN VAL 3 2.718 -2.928 -0.884 92 HA VAL 3 HA VAL 3 0.317 -3.444 -2.456 93 HB VAL 3 HB VAL 3 1.539 -5.716 -2.735 94 1HG1 VAL 3 1HG1 VAL 3 2.544 -3.194 -4.036 95 2HG1 VAL 3 2HG1 VAL 3 1.141 -4.134 -4.539 96 3HG1 VAL 3 3HG1 VAL 3 2.759 -4.825 -4.672 97 1HG2 VAL 3 1HG2 VAL 3 3.269 -5.356 -1.069 98 2HG2 VAL 3 2HG2 VAL 3 3.834 -3.937 -1.947 99 3HG2 VAL 3 3HG2 VAL 3 3.982 -5.538 -2.670 100 H LEU 4 HN LEU 4 -1.311 -4.541 -1.709 101 HA LEU 4 HA LEU 4 -1.069 -5.992 0.846 102 1HB LEU 4 2HB LEU 4 -3.282 -4.428 -0.423 103 2HB LEU 4 1HB LEU 4 -3.697 -5.753 0.636 104 HG LEU 4 HG LEU 4 -2.283 -3.179 1.321 105 1HD1 LEU 4 1HD1 LEU 4 -4.077 -3.025 2.982 106 2HD1 LEU 4 2HD1 LEU 4 -4.747 -4.545 2.387 107 3HD1 LEU 4 3HD1 LEU 4 -4.698 -3.129 1.336 108 1HD2 LEU 4 1HD2 LEU 4 -0.994 -4.882 2.429 109 2HD2 LEU 4 2HD2 LEU 4 -2.460 -5.690 2.986 110 3HD2 LEU 4 3HD2 LEU 4 -2.034 -4.099 3.619 111 H SER 5 HN SER 5 -1.580 -8.138 0.868 112 HA SER 5 HA SER 5 -1.926 -9.358 -1.745 113 1HB SER 5 2HB SER 5 -1.441 -10.600 0.973 114 2HB SER 5 1HB SER 5 -1.472 -11.475 -0.558 115 HG SER 5 HG SER 5 0.512 -9.952 0.549 116 H ARG 6 HN ARG 6 -3.865 -9.564 -2.510 117 HA ARG 6 HA ARG 6 -6.044 -10.575 -0.855 118 1HB ARG 6 2HB ARG 6 -6.227 -8.133 -0.659 119 2HB ARG 6 1HB ARG 6 -6.154 -7.968 -2.406 120 1HG ARG 6 2HG ARG 6 -8.409 -7.684 -1.737 121 2HG ARG 6 1HG ARG 6 -8.291 -9.248 -2.539 122 1HD ARG 6 2HD ARG 6 -9.677 -9.376 -0.539 123 2HD ARG 6 1HD ARG 6 -8.228 -10.364 -0.379 124 HE ARG 6 HE ARG 6 -7.342 -8.758 1.147 125 1HH1 ARG 6 1HH1 ARG 6 -10.639 -8.053 0.158 126 2HH1 ARG 6 2HH1 ARG 6 -11.005 -7.157 1.609 127 1HH2 ARG 6 1HH2 ARG 6 -7.831 -7.573 3.027 128 2HH2 ARG 6 2HH2 ARG 6 -9.409 -6.880 3.235 129 H LYS 7 HN LYS 7 -7.025 -12.141 -2.036 130 HA LYS 7 HA LYS 7 -6.005 -12.367 -4.772 131 1HB LYS 7 2HB LYS 7 -6.999 -14.522 -2.902 132 2HB LYS 7 1HB LYS 7 -6.368 -14.791 -4.523 133 1HG LYS 7 2HG LYS 7 -4.512 -15.241 -3.265 134 2HG LYS 7 1HG LYS 7 -4.272 -13.526 -3.595 135 1HD LYS 7 2HD LYS 7 -5.619 -13.249 -1.349 136 2HD LYS 7 1HD LYS 7 -5.056 -14.889 -1.062 137 1HE LYS 7 2HE LYS 7 -2.731 -14.071 -1.526 138 2HE LYS 7 1HE LYS 7 -3.381 -12.421 -1.552 139 1HZ LYS 7 1HZ LYS 7 -3.538 -14.328 0.741 140 2HZ LYS 7 2HZ LYS 7 -4.160 -12.751 0.730 141 3HZ LYS 7 3HZ LYS 7 -2.483 -13.003 0.637 142 H ILE 8 HN ILE 8 -8.446 -10.974 -3.777 143 HA ILE 8 HA ILE 8 -10.537 -12.439 -5.196 144 HB ILE 8 HB ILE 8 -10.914 -9.839 -3.724 145 1HG1 ILE 8 2HG1 ILE 8 -10.931 -12.636 -2.543 146 2HG1 ILE 8 1HG1 ILE 8 -9.757 -11.372 -2.183 147 1HG2 ILE 8 1HG2 ILE 8 -13.192 -10.712 -3.406 148 2HG2 ILE 8 2HG2 ILE 8 -12.751 -12.174 -4.290 149 3HG2 ILE 8 3HG2 ILE 8 -12.763 -10.612 -5.115 150 1HD1 ILE 8 1HD1 ILE 8 -12.704 -11.256 -1.562 151 2HD1 ILE 8 2HD1 ILE 8 -11.504 -10.028 -1.161 152 3HD1 ILE 8 3HD1 ILE 8 -11.419 -11.621 -0.412 153 H ASN 9 HN ASN 9 -8.154 -10.288 -5.839 154 HA ASN 9 HA ASN 9 -7.828 -8.431 -7.134 155 1HB ASN 9 2HB ASN 9 -8.476 -8.787 -9.527 156 2HB ASN 9 1HB ASN 9 -7.578 -10.116 -8.814 157 1HD2 ASN 9 1HD2 ASN 9 -8.556 -12.098 -8.577 158 2HD2 ASN 9 2HD2 ASN 9 -10.084 -12.484 -9.288 159 H GLU 10 HN GLU 10 -9.649 -7.810 -5.414 160 HA GLU 10 HA GLU 10 -12.012 -6.735 -6.692 161 1HB GLU 10 2HB GLU 10 -12.546 -5.948 -4.381 162 2HB GLU 10 1HB GLU 10 -12.314 -7.688 -4.495 163 1HG GLU 10 2HG GLU 10 -10.067 -7.473 -3.594 164 2HG GLU 10 1HG GLU 10 -10.246 -5.719 -3.529 165 H ALA 11 HN ALA 11 -12.521 -4.392 -5.939 166 HA ALA 11 HA ALA 11 -10.115 -2.782 -6.494 167 1HB ALA 11 1HB ALA 11 -11.861 -2.616 -8.220 168 2HB ALA 11 2HB ALA 11 -11.618 -1.077 -7.392 169 3HB ALA 11 3HB ALA 11 -13.012 -2.078 -6.997 170 H ILE 12 HN ILE 12 -9.648 -1.050 -5.161 171 HA ILE 12 HA ILE 12 -11.081 -1.169 -2.604 172 HB ILE 12 HB ILE 12 -8.271 -0.183 -3.098 173 1HG1 ILE 12 2HG1 ILE 12 -8.446 -2.576 -3.593 174 2HG1 ILE 12 1HG1 ILE 12 -7.533 -2.311 -2.111 175 1HG2 ILE 12 1HG2 ILE 12 -9.289 0.774 -1.118 176 2HG2 ILE 12 2HG2 ILE 12 -8.046 -0.391 -0.662 177 3HG2 ILE 12 3HG2 ILE 12 -9.750 -0.831 -0.556 178 1HD1 ILE 12 1HD1 ILE 12 -9.521 -2.889 -0.803 179 2HD1 ILE 12 2HD1 ILE 12 -9.028 -4.195 -1.880 180 3HD1 ILE 12 3HD1 ILE 12 -10.409 -3.181 -2.300 181 H GLN 13 HN GLN 13 -12.461 0.369 -2.398 182 HA GLN 13 HA GLN 13 -11.735 3.142 -3.119 183 1HB GLN 13 2HB GLN 13 -13.535 2.476 -4.566 184 2HB GLN 13 1HB GLN 13 -14.399 1.706 -3.245 185 1HG GLN 13 2HG GLN 13 -15.563 3.685 -3.692 186 2HG GLN 13 1HG GLN 13 -14.634 4.009 -2.231 187 1HE2 GLN 13 1HE2 GLN 13 -12.906 5.449 -2.325 188 2HE2 GLN 13 2HE2 GLN 13 -12.663 6.524 -3.665 189 H ILE 14 HN ILE 14 -11.026 3.865 -1.198 190 HA ILE 14 HA ILE 14 -12.773 3.371 1.105 191 HB ILE 14 HB ILE 14 -10.791 3.653 2.569 192 1HG1 ILE 14 2HG1 ILE 14 -9.424 4.766 0.671 193 2HG1 ILE 14 1HG1 ILE 14 -8.600 3.687 1.787 194 1HG2 ILE 14 1HG2 ILE 14 -10.728 1.362 0.616 195 2HG2 ILE 14 2HG2 ILE 14 -11.690 1.465 2.089 196 3HG2 ILE 14 3HG2 ILE 14 -9.931 1.382 2.188 197 1HD1 ILE 14 1HD1 ILE 14 -8.685 1.903 0.136 198 2HD1 ILE 14 2HD1 ILE 14 -7.878 3.335 -0.500 199 3HD1 ILE 14 3HD1 ILE 14 -9.531 2.969 -0.983 200 H GLY 15 HN GLY 15 -13.876 5.043 1.606 201 1HA GLY 15 2HA GLY 15 -14.192 7.041 2.703 202 2HA GLY 15 1HA GLY 15 -12.490 7.409 2.477 203 H ALA 16 HN ALA 16 -11.935 7.656 0.072 204 HA ALA 16 HA ALA 16 -13.332 8.726 -1.912 205 1HB ALA 16 1HB ALA 16 -14.577 10.175 -0.353 206 2HB ALA 16 2HB ALA 16 -13.644 11.119 -1.518 207 3HB ALA 16 3HB ALA 16 -13.063 10.936 0.136 208 H ASP 17 HN ASP 17 -10.625 8.782 0.129 209 HA ASP 17 HA ASP 17 -9.108 10.689 -1.420 210 1HB ASP 17 2HB ASP 17 -8.827 10.575 1.042 211 2HB ASP 17 1HB ASP 17 -8.197 8.935 0.891 212 H ILE 18 HN ILE 18 -9.364 7.202 -1.035 213 HA ILE 18 HA ILE 18 -7.535 6.941 -3.316 214 HB ILE 18 HB ILE 18 -7.404 5.303 -0.784 215 1HG1 ILE 18 2HG1 ILE 18 -6.135 7.425 -0.791 216 2HG1 ILE 18 1HG1 ILE 18 -5.070 6.025 -0.729 217 1HG2 ILE 18 1HG2 ILE 18 -5.997 4.775 -3.403 218 2HG2 ILE 18 2HG2 ILE 18 -7.301 3.806 -2.719 219 3HG2 ILE 18 3HG2 ILE 18 -5.744 3.896 -1.895 220 1HD1 ILE 18 1HD1 ILE 18 -4.186 7.710 -2.221 221 2HD1 ILE 18 2HD1 ILE 18 -5.677 7.689 -3.163 222 3HD1 ILE 18 3HD1 ILE 18 -4.635 6.268 -3.128 223 H GLU 19 HN GLU 19 -8.510 5.999 -4.910 224 HA GLU 19 HA GLU 19 -9.966 3.521 -4.395 225 1HB GLU 19 2HB GLU 19 -11.562 4.099 -6.264 226 2HB GLU 19 1HB GLU 19 -11.792 4.986 -4.770 227 1HG GLU 19 2HG GLU 19 -10.263 6.101 -7.100 228 2HG GLU 19 1HG GLU 19 -12.006 6.285 -6.918 229 H VAL 20 HN VAL 20 -8.887 1.954 -5.389 230 HA VAL 20 HA VAL 20 -8.246 1.851 -8.087 231 HB VAL 20 HB VAL 20 -6.659 3.699 -7.503 232 1HG1 VAL 20 1HG1 VAL 20 -5.288 1.570 -5.874 233 2HG1 VAL 20 2HG1 VAL 20 -6.057 3.035 -5.260 234 3HG1 VAL 20 3HG1 VAL 20 -4.611 3.152 -6.266 235 1HG2 VAL 20 1HG2 VAL 20 -5.373 1.136 -8.429 236 2HG2 VAL 20 2HG2 VAL 20 -4.740 2.761 -8.685 237 3HG2 VAL 20 3HG2 VAL 20 -6.259 2.280 -9.437 238 H LYS 21 HN LYS 21 -7.367 -0.137 -8.652 239 HA LYS 21 HA LYS 21 -6.240 -1.781 -6.503 240 1HB LYS 21 2HB LYS 21 -7.278 -3.757 -7.859 241 2HB LYS 21 1HB LYS 21 -8.236 -2.901 -6.664 242 1HG LYS 21 2HG LYS 21 -9.747 -2.955 -8.343 243 2HG LYS 21 1HG LYS 21 -8.910 -1.465 -8.794 244 1HD LYS 21 2HD LYS 21 -7.626 -2.617 -10.454 245 2HD LYS 21 1HD LYS 21 -8.178 -4.189 -9.873 246 1HE LYS 21 2HE LYS 21 -9.360 -3.622 -11.896 247 2HE LYS 21 1HE LYS 21 -10.478 -3.586 -10.534 248 1HZ LYS 21 1HZ LYS 21 -10.050 -1.119 -10.482 249 2HZ LYS 21 2HZ LYS 21 -10.937 -1.688 -11.794 250 3HZ LYS 21 3HZ LYS 21 -9.302 -1.292 -11.990 251 H VAL 22 HN VAL 22 -4.177 -1.507 -7.069 252 HA VAL 22 HA VAL 22 -3.410 -2.113 -9.828 253 HB VAL 22 HB VAL 22 -1.647 -1.302 -7.499 254 1HG1 VAL 22 1HG1 VAL 22 0.046 -0.866 -9.223 255 2HG1 VAL 22 2HG1 VAL 22 -1.060 -1.478 -10.455 256 3HG1 VAL 22 3HG1 VAL 22 -0.444 -2.561 -9.207 257 1HG2 VAL 22 1HG2 VAL 22 -2.721 0.346 -9.781 258 2HG2 VAL 22 2HG2 VAL 22 -1.554 0.897 -8.577 259 3HG2 VAL 22 3HG2 VAL 22 -3.197 0.477 -8.088 260 H ILE 23 HN ILE 23 -3.369 -4.213 -10.210 261 HA ILE 23 HA ILE 23 -2.801 -6.054 -8.048 262 HB ILE 23 HB ILE 23 -3.714 -6.602 -10.876 263 1HG1 ILE 23 2HG1 ILE 23 -5.321 -6.684 -8.313 264 2HG1 ILE 23 1HG1 ILE 23 -5.272 -5.263 -9.355 265 1HG2 ILE 23 1HG2 ILE 23 -4.272 -8.834 -10.045 266 2HG2 ILE 23 2HG2 ILE 23 -3.606 -8.417 -8.466 267 3HG2 ILE 23 3HG2 ILE 23 -2.547 -8.504 -9.874 268 1HD1 ILE 23 1HD1 ILE 23 -6.204 -6.605 -11.187 269 2HD1 ILE 23 2HD1 ILE 23 -7.260 -6.576 -9.775 270 3HD1 ILE 23 3HD1 ILE 23 -6.279 -8.002 -10.112 271 H ALA 24 HN ALA 24 -1.011 -7.211 -7.851 272 HA ALA 24 HA ALA 24 1.010 -6.982 -9.980 273 1HB ALA 24 1HB ALA 24 1.501 -6.823 -7.005 274 2HB ALA 24 2HB ALA 24 1.532 -5.461 -8.125 275 3HB ALA 24 3HB ALA 24 2.732 -6.747 -8.267 276 H VAL 25 HN VAL 25 2.733 -8.636 -9.794 277 HA VAL 25 HA VAL 25 1.455 -11.210 -9.325 278 HB VAL 25 HB VAL 25 4.118 -10.611 -10.625 279 1HG1 VAL 25 1HG1 VAL 25 2.459 -13.130 -10.565 280 2HG1 VAL 25 2HG1 VAL 25 4.008 -12.879 -9.762 281 3HG1 VAL 25 3HG1 VAL 25 3.918 -12.895 -11.524 282 1HG2 VAL 25 1HG2 VAL 25 2.943 -11.019 -12.746 283 2HG2 VAL 25 2HG2 VAL 25 2.298 -9.618 -11.890 284 3HG2 VAL 25 3HG2 VAL 25 1.422 -11.147 -11.865 285 H GLU 26 HN GLU 26 1.675 -12.107 -7.434 286 HA GLU 26 HA GLU 26 4.107 -11.685 -5.841 287 1HB GLU 26 2HB GLU 26 1.806 -11.288 -4.868 288 2HB GLU 26 1HB GLU 26 1.493 -13.005 -5.084 289 1HG GLU 26 2HG GLU 26 2.091 -12.402 -2.772 290 2HG GLU 26 1HG GLU 26 3.181 -13.586 -3.489 291 H GLY 27 HN GLY 27 4.884 -13.149 -7.820 292 1HA GLY 27 2HA GLY 27 5.802 -15.190 -8.397 293 2HA GLY 27 1HA GLY 27 5.231 -15.829 -6.857 294 H ASP 28 HN ASP 28 2.941 -16.356 -6.697 295 HA ASP 28 HA ASP 28 1.529 -16.667 -9.236 296 1HB ASP 28 2HB ASP 28 0.939 -18.958 -8.842 297 2HB ASP 28 1HB ASP 28 2.687 -18.839 -8.679 298 H GLN 29 HN GLN 29 1.502 -15.076 -6.688 299 HA GLN 29 HA GLN 29 -1.287 -15.569 -5.880 300 1HB GLN 29 2HB GLN 29 0.321 -15.811 -4.035 301 2HB GLN 29 1HB GLN 29 0.979 -14.225 -4.394 302 1HG GLN 29 2HG GLN 29 -0.999 -13.140 -3.650 303 2HG GLN 29 1HG GLN 29 -1.864 -14.675 -3.537 304 1HE2 GLN 29 1HE2 GLN 29 0.541 -12.623 -2.080 305 2HE2 GLN 29 2HE2 GLN 29 0.612 -13.457 -0.570 306 H VAL 30 HN VAL 30 -2.638 -13.712 -5.694 307 HA VAL 30 HA VAL 30 -1.624 -11.460 -7.265 308 HB VAL 30 HB VAL 30 -4.011 -10.962 -7.834 309 1HG1 VAL 30 1HG1 VAL 30 -2.975 -13.673 -8.662 310 2HG1 VAL 30 2HG1 VAL 30 -2.640 -12.131 -9.451 311 3HG1 VAL 30 3HG1 VAL 30 -4.272 -12.798 -9.474 312 1HG2 VAL 30 1HG2 VAL 30 -5.053 -12.125 -5.947 313 2HG2 VAL 30 2HG2 VAL 30 -4.539 -13.671 -6.621 314 3HG2 VAL 30 3HG2 VAL 30 -5.707 -12.676 -7.488 315 H LYS 31 HN LYS 31 -1.538 -9.572 -6.402 316 HA LYS 31 HA LYS 31 -3.049 -9.043 -3.964 317 1HB LYS 31 2HB LYS 31 -1.081 -8.275 -2.817 318 2HB LYS 31 1HB LYS 31 -0.780 -9.906 -3.433 319 1HG LYS 31 2HG LYS 31 0.323 -8.769 -5.426 320 2HG LYS 31 1HG LYS 31 0.243 -7.278 -4.498 321 1HD LYS 31 2HD LYS 31 1.662 -9.811 -3.693 322 2HD LYS 31 1HD LYS 31 2.422 -8.320 -4.250 323 1HE LYS 31 2HE LYS 31 1.326 -7.169 -2.297 324 2HE LYS 31 1HE LYS 31 0.877 -8.771 -1.711 325 1HZ LYS 31 1HZ LYS 31 3.644 -7.807 -2.202 326 2HZ LYS 31 2HZ LYS 31 3.235 -9.371 -1.694 327 3HZ LYS 31 3HZ LYS 31 2.925 -8.039 -0.684 328 H LEU 32 HN LEU 32 -3.453 -6.842 -3.572 329 HA LEU 32 HA LEU 32 -3.310 -5.198 -5.988 330 1HB LEU 32 2HB LEU 32 -5.054 -3.865 -5.020 331 2HB LEU 32 1HB LEU 32 -5.507 -5.546 -4.906 332 HG LEU 32 HG LEU 32 -4.360 -5.209 -2.464 333 1HD1 LEU 32 1HD1 LEU 32 -3.968 -2.821 -2.868 334 2HD1 LEU 32 2HD1 LEU 32 -5.084 -3.098 -1.530 335 3HD1 LEU 32 3HD1 LEU 32 -5.700 -2.583 -3.099 336 1HD2 LEU 32 1HD2 LEU 32 -6.636 -5.044 -1.600 337 2HD2 LEU 32 2HD2 LEU 32 -6.537 -6.206 -2.922 338 3HD2 LEU 32 3HD2 LEU 32 -7.220 -4.605 -3.205 339 H GLY 33 HN GLY 33 -2.838 -2.852 -5.641 340 1HA GLY 33 2HA GLY 33 -1.178 -2.321 -3.298 341 2HA GLY 33 1HA GLY 33 -0.418 -2.217 -4.876 342 H ILE 34 HN ILE 34 -1.047 -0.189 -2.736 343 HA ILE 34 HA ILE 34 -2.392 1.685 -4.563 344 HB ILE 34 HB ILE 34 -3.004 3.085 -2.703 345 1HG1 ILE 34 2HG1 ILE 34 -1.962 1.091 -0.721 346 2HG1 ILE 34 1HG1 ILE 34 -0.897 2.342 -1.364 347 1HG2 ILE 34 1HG2 ILE 34 -4.546 1.309 -3.259 348 2HG2 ILE 34 2HG2 ILE 34 -4.567 1.613 -1.521 349 3HG2 ILE 34 3HG2 ILE 34 -3.710 0.211 -2.162 350 1HD1 ILE 34 1HD1 ILE 34 -1.875 3.005 0.755 351 2HD1 ILE 34 2HD1 ILE 34 -3.494 2.805 0.086 352 3HD1 ILE 34 3HD1 ILE 34 -2.426 4.056 -0.549 353 H ASP 35 HN ASP 35 -1.200 3.230 -5.399 354 HA ASP 35 HA ASP 35 1.319 3.940 -4.063 355 1HB ASP 35 2HB ASP 35 1.934 2.942 -6.128 356 2HB ASP 35 1HB ASP 35 0.658 3.773 -7.002 357 H ALA 36 HN ALA 36 1.473 5.973 -3.402 358 HA ALA 36 HA ALA 36 -0.626 7.831 -4.300 359 1HB ALA 36 1HB ALA 36 -1.081 7.006 -2.050 360 2HB ALA 36 2HB ALA 36 -0.705 8.730 -2.030 361 3HB ALA 36 3HB ALA 36 0.507 7.554 -1.519 362 HA PRO 37 HA PRO 37 2.570 10.700 -5.285 363 1HB PRO 37 2HB PRO 37 0.705 12.883 -4.745 364 2HB PRO 37 1HB PRO 37 1.348 12.322 -6.289 365 1HG PRO 37 2HG PRO 37 -1.241 11.982 -5.584 366 2HG PRO 37 1HG PRO 37 -0.372 10.823 -6.608 367 1HD PRO 37 2HD PRO 37 -0.981 10.684 -3.677 368 2HD PRO 37 1HD PRO 37 -1.099 9.411 -4.913 369 H LYS 38 HN LYS 38 1.905 10.040 -2.318 370 HA LYS 38 HA LYS 38 3.091 10.377 -0.431 371 1HB LYS 38 2HB LYS 38 4.944 10.823 -2.024 372 2HB LYS 38 1HB LYS 38 4.571 12.539 -1.923 373 1HG LYS 38 2HG LYS 38 6.464 11.820 -0.519 374 2HG LYS 38 1HG LYS 38 5.153 12.571 0.397 375 1HD LYS 38 2HD LYS 38 4.407 10.512 1.240 376 2HD LYS 38 1HD LYS 38 5.320 9.598 0.033 377 1HE LYS 38 2HE LYS 38 6.427 9.453 2.181 378 2HE LYS 38 1HE LYS 38 7.416 10.365 1.045 379 1HZ LYS 38 1HZ LYS 38 5.627 11.619 3.055 380 2HZ LYS 38 2HZ LYS 38 6.773 12.401 2.073 381 3HZ LYS 38 3HZ LYS 38 7.282 11.351 3.303 382 H HIS 39 HN HIS 39 0.644 11.995 -1.168 383 HA HIS 39 HA HIS 39 0.747 14.211 0.627 384 1HB HIS 39 2HB HIS 39 -1.666 14.191 0.536 385 2HB HIS 39 1HB HIS 39 -1.084 13.800 -1.079 386 HD1 HIS 39 1HD HIS 39 -0.427 10.773 -0.057 387 HD2 HIS 39 2HD HIS 39 -4.073 12.736 0.067 388 HE1 HIS 39 1HE HIS 39 -2.125 8.987 0.166 389 HE2 HIS 39 2HE HIS 39 -4.370 10.170 0.150 390 H ILE 40 HN ILE 40 -1.346 13.664 2.408 391 HA ILE 40 HA ILE 40 -0.154 11.683 4.193 392 HB ILE 40 HB ILE 40 -1.392 12.735 6.004 393 1HG1 ILE 40 2HG1 ILE 40 -3.232 13.466 4.276 394 2HG1 ILE 40 1HG1 ILE 40 -2.984 14.394 5.757 395 1HG2 ILE 40 1HG2 ILE 40 0.111 14.768 4.364 396 2HG2 ILE 40 2HG2 ILE 40 0.818 13.609 5.491 397 3HG2 ILE 40 3HG2 ILE 40 -0.240 14.891 6.088 398 1HD1 ILE 40 1HD1 ILE 40 -3.284 15.873 3.877 399 2HD1 ILE 40 2HD1 ILE 40 -1.971 15.085 3.004 400 3HD1 ILE 40 3HD1 ILE 40 -1.627 16.004 4.471 401 H ASP 41 HN ASP 41 -1.535 10.278 5.326 402 HA ASP 41 HA ASP 41 -3.544 9.232 3.535 403 1HB ASP 41 2HB ASP 41 -1.807 7.848 4.613 404 2HB ASP 41 1HB ASP 41 -2.521 8.185 6.182 405 H ILE 42 HN ILE 42 -5.519 9.969 3.619 406 HA ILE 42 HA ILE 42 -6.608 11.218 5.997 407 HB ILE 42 HB ILE 42 -7.951 10.757 3.325 408 1HG1 ILE 42 2HG1 ILE 42 -5.838 11.995 3.075 409 2HG1 ILE 42 1HG1 ILE 42 -7.237 13.003 2.713 410 1HG2 ILE 42 1HG2 ILE 42 -8.546 12.711 5.548 411 2HG2 ILE 42 2HG2 ILE 42 -9.510 11.299 5.109 412 3HG2 ILE 42 3HG2 ILE 42 -9.367 12.654 3.989 413 1HD1 ILE 42 1HD1 ILE 42 -5.647 13.022 5.270 414 2HD1 ILE 42 2HD1 ILE 42 -7.060 14.021 4.931 415 3HD1 ILE 42 3HD1 ILE 42 -5.585 14.233 3.989 416 H HIS 43 HN HIS 43 -8.561 10.527 7.030 417 HA HIS 43 HA HIS 43 -9.381 7.769 6.458 418 1HB HIS 43 2HB HIS 43 -8.792 8.693 9.276 419 2HB HIS 43 1HB HIS 43 -9.218 7.066 8.735 420 HD1 HIS 43 1HD HIS 43 -6.469 8.514 10.085 421 HD2 HIS 43 2HD HIS 43 -7.029 6.581 6.439 422 HE1 HIS 43 1HE HIS 43 -4.181 7.749 9.366 423 HE2 HIS 43 2HE HIS 43 -4.523 6.666 7.109 424 H ARG 44 HN ARG 44 -11.342 7.179 7.866 425 HA ARG 44 HA ARG 44 -13.204 9.426 7.552 426 1HB ARG 44 2HB ARG 44 -13.705 7.168 6.541 427 2HB ARG 44 1HB ARG 44 -13.893 6.553 8.179 428 1HG ARG 44 2HG ARG 44 -16.057 7.049 7.297 429 2HG ARG 44 1HG ARG 44 -15.680 8.235 8.550 430 1HD ARG 44 2HD ARG 44 -14.860 9.733 6.666 431 2HD ARG 44 1HD ARG 44 -15.639 8.597 5.564 432 HE ARG 44 HE ARG 44 -17.169 9.919 7.710 433 1HH1 ARG 44 1HH1 ARG 44 -16.664 9.203 4.317 434 2HH1 ARG 44 2HH1 ARG 44 -18.125 9.988 3.800 435 1HH2 ARG 44 1HH2 ARG 44 -19.101 10.918 7.041 436 2HH2 ARG 44 2HH2 ARG 44 -19.539 10.921 5.361 437 H LYS 45 HN LYS 45 -13.394 6.746 9.856 438 HA LYS 45 HA LYS 45 -13.414 8.700 12.069 439 1HB LYS 45 2HB LYS 45 -14.559 5.898 11.908 440 2HB LYS 45 1HB LYS 45 -14.494 6.853 13.381 441 1HG LYS 45 2HG LYS 45 -15.970 8.508 12.415 442 2HG LYS 45 1HG LYS 45 -15.983 7.628 10.883 443 1HD LYS 45 2HD LYS 45 -17.090 5.761 11.896 444 2HD LYS 45 1HD LYS 45 -16.901 6.458 13.505 445 1HE LYS 45 2HE LYS 45 -18.519 7.686 11.277 446 2HE LYS 45 1HE LYS 45 -19.188 6.703 12.580 447 1HZ LYS 45 1HZ LYS 45 -19.462 8.970 13.176 448 2HZ LYS 45 2HZ LYS 45 -17.844 9.338 12.823 449 3HZ LYS 45 3HZ LYS 45 -18.217 8.356 14.151 450 H GLU 46 HN GLU 46 -12.538 5.378 11.295 451 HA GLU 46 HA GLU 46 -10.010 5.723 12.758 452 1HB GLU 46 2HB GLU 46 -11.584 3.820 13.396 453 2HB GLU 46 1HB GLU 46 -11.266 3.136 11.810 454 1HG GLU 46 2HG GLU 46 -8.955 2.828 12.333 455 2HG GLU 46 1HG GLU 46 -9.134 3.705 13.854 456 H ILE 47 HN ILE 47 -8.358 4.023 11.472 457 HA ILE 47 HA ILE 47 -7.977 5.344 8.978 458 HB ILE 47 HB ILE 47 -6.038 3.963 8.671 459 1HG1 ILE 47 2HG1 ILE 47 -6.975 2.462 11.129 460 2HG1 ILE 47 1HG1 ILE 47 -6.901 1.825 9.490 461 1HG2 ILE 47 1HG2 ILE 47 -6.333 4.922 11.514 462 2HG2 ILE 47 2HG2 ILE 47 -5.819 5.882 10.127 463 3HG2 ILE 47 3HG2 ILE 47 -4.797 4.571 10.718 464 1HD1 ILE 47 1HD1 ILE 47 -4.504 1.927 9.497 465 2HD1 ILE 47 2HD1 ILE 47 -5.049 1.063 10.937 466 3HD1 ILE 47 3HD1 ILE 47 -4.502 2.737 11.067 467 H TYR 48 HN TYR 48 -9.006 4.911 7.189 468 HA TYR 48 HA TYR 48 -10.339 2.355 6.901 469 1HB TYR 48 2HB TYR 48 -11.642 3.416 5.129 470 2HB TYR 48 1HB TYR 48 -11.653 4.366 6.607 471 HD1 TYR 48 1HD TYR 48 -8.872 4.462 4.157 472 HD2 TYR 48 2HD TYR 48 -12.357 6.365 5.662 473 HE1 TYR 48 1HE TYR 48 -8.333 6.474 2.854 474 HE2 TYR 48 2HE TYR 48 -11.822 8.384 4.377 475 HH TYR 48 HH TYR 48 -9.141 8.456 2.105 476 H LEU 49 HN LEU 49 -7.415 3.538 6.114 477 HA LEU 49 HA LEU 49 -7.261 2.144 3.524 478 1HB LEU 49 2HB LEU 49 -6.415 4.774 4.336 479 2HB LEU 49 1HB LEU 49 -5.021 3.826 3.849 480 HG LEU 49 HG LEU 49 -7.467 4.072 2.120 481 1HD1 LEU 49 1HD1 LEU 49 -4.987 5.776 2.040 482 2HD1 LEU 49 2HD1 LEU 49 -6.583 6.314 2.559 483 3HD1 LEU 49 3HD1 LEU 49 -6.320 5.818 0.886 484 1HD2 LEU 49 1HD2 LEU 49 -5.870 3.454 0.356 485 2HD2 LEU 49 2HD2 LEU 49 -5.997 2.220 1.610 486 3HD2 LEU 49 3HD2 LEU 49 -4.606 3.305 1.577 487 H THR 50 HN THR 50 -4.873 3.286 5.874 488 HA THR 50 HA THR 50 -3.480 2.152 7.287 489 HB THR 50 HB THR 50 -4.841 -0.364 6.338 490 HG1 THR 50 1HG THR 50 -6.452 0.111 7.600 491 1HG2 THR 50 1HG2 THR 50 -3.296 0.205 8.868 492 2HG2 THR 50 2HG2 THR 50 -2.723 -0.763 7.511 493 3HG2 THR 50 3HG2 THR 50 -4.095 -1.315 8.467 494 H ILE 51 HN ILE 51 -3.847 1.282 3.985 495 HA ILE 51 HA ILE 51 -1.621 -0.428 3.697 496 HB ILE 51 HB ILE 51 -2.554 1.332 1.444 497 1HG1 ILE 51 2HG1 ILE 51 -4.010 -1.083 2.542 498 2HG1 ILE 51 1HG1 ILE 51 -4.562 0.582 2.640 499 1HG2 ILE 51 1HG2 ILE 51 -0.722 -0.228 1.044 500 2HG2 ILE 51 2HG2 ILE 51 -2.160 -0.699 0.142 501 3HG2 ILE 51 3HG2 ILE 51 -1.724 -1.563 1.615 502 1HD1 ILE 51 1HD1 ILE 51 -4.160 -0.977 0.098 503 2HD1 ILE 51 2HD1 ILE 51 -4.762 0.677 0.222 504 3HD1 ILE 51 3HD1 ILE 51 -5.708 -0.657 0.880 505 H GLN 52 HN GLN 52 -2.006 3.040 2.876 506 HA GLN 52 HA GLN 52 0.867 3.255 2.659 507 1HB GLN 52 2HB GLN 52 0.583 5.463 1.904 508 2HB GLN 52 1HB GLN 52 -0.738 4.552 1.181 509 1HG GLN 52 2HG GLN 52 -2.264 5.408 2.868 510 2HG GLN 52 1HG GLN 52 -0.940 6.288 3.631 511 1HE2 GLN 52 1HE2 GLN 52 -3.356 7.384 2.624 512 2HE2 GLN 52 2HE2 GLN 52 -2.939 8.463 1.342 513 H GLU 53 HN GLU 53 -1.517 3.649 5.095 514 HA GLU 53 HA GLU 53 -0.126 5.438 6.784 515 1HB GLU 53 2HB GLU 53 -2.524 4.673 7.086 516 2HB GLU 53 1HB GLU 53 -1.886 3.140 7.662 517 1HG GLU 53 2HG GLU 53 -2.502 4.568 9.519 518 2HG GLU 53 1HG GLU 53 -0.767 4.266 9.500 519 H GLU 54 HN GLU 54 -0.152 1.926 6.464 520 HA GLU 54 HA GLU 54 1.902 1.247 8.210 521 1HB GLU 54 2HB GLU 54 0.832 0.105 5.653 522 2HB GLU 54 1HB GLU 54 2.323 -0.563 6.326 523 1HG GLU 54 2HG GLU 54 -0.329 -0.373 7.751 524 2HG GLU 54 1HG GLU 54 0.320 -1.820 6.985 525 H ASN 55 HN ASN 55 2.049 2.085 4.784 526 HA ASN 55 HA ASN 55 4.946 2.032 4.753 527 1HB ASN 55 2HB ASN 55 3.524 1.206 2.865 528 2HB ASN 55 1HB ASN 55 2.995 2.857 2.586 529 1HD2 ASN 55 1HD2 ASN 55 4.368 1.040 0.813 530 2HD2 ASN 55 2HD2 ASN 55 5.838 1.833 0.342 531 H ASN 56 HN ASN 56 3.294 4.452 2.941 532 HA ASN 56 HA ASN 56 3.258 6.702 2.901 533 1HB ASN 56 2HB ASN 56 2.477 6.398 5.281 534 2HB ASN 56 1HB ASN 56 4.136 6.710 5.779 535 1HD2 ASN 56 1HD2 ASN 56 3.553 8.575 6.876 536 2HD2 ASN 56 2HD2 ASN 56 3.105 10.037 6.065 537 H ARG 57 HN ARG 57 6.035 4.985 3.645 538 HA ARG 57 HA ARG 57 7.697 7.070 2.523 539 1HB ARG 57 2HB ARG 57 9.395 6.756 4.385 540 2HB ARG 57 1HB ARG 57 7.949 7.662 4.807 541 1HG ARG 57 2HG ARG 57 7.008 5.644 5.852 542 2HG ARG 57 1HG ARG 57 8.491 4.771 5.464 543 1HD ARG 57 2HD ARG 57 8.272 7.201 7.229 544 2HD ARG 57 1HD ARG 57 8.474 5.538 7.779 545 HE ARG 57 HE ARG 57 10.559 6.220 5.993 546 1HH1 ARG 57 1HH1 ARG 57 9.450 6.754 9.272 547 2HH1 ARG 57 2HH1 ARG 57 11.025 7.174 9.881 548 1HH2 ARG 57 1HH2 ARG 57 12.641 6.729 6.777 549 2HH2 ARG 57 2HH2 ARG 57 12.855 7.137 8.456 550 H ALA 58 HN ALA 58 7.912 3.933 4.185 551 HA ALA 58 HA ALA 58 8.494 2.323 2.024 552 1HB ALA 58 1HB ALA 58 10.533 3.645 1.697 553 2HB ALA 58 2HB ALA 58 10.915 1.985 2.154 554 3HB ALA 58 3HB ALA 58 11.040 3.279 3.347 555 H ALA 59 HN ALA 59 7.062 1.226 3.508 556 HA ALA 59 HA ALA 59 8.289 0.316 6.005 557 1HB ALA 59 1HB ALA 59 5.419 0.126 5.141 558 2HB ALA 59 2HB ALA 59 6.104 1.408 6.143 559 3HB ALA 59 3HB ALA 59 6.071 -0.256 6.735 560 H ALA 60 HN ALA 60 8.182 -1.805 6.696 561 HA ALA 60 HA ALA 60 8.152 -3.870 4.633 562 1HB ALA 60 1HB ALA 60 9.956 -3.897 6.276 563 2HB ALA 60 2HB ALA 60 8.951 -5.338 6.434 564 3HB ALA 60 3HB ALA 60 8.778 -4.011 7.584 565 H LEU 61 HN LEU 61 7.268 -6.002 6.155 566 HA LEU 61 HA LEU 61 5.444 -7.192 6.701 567 1HB LEU 61 2HB LEU 61 5.403 -5.496 8.520 568 2HB LEU 61 1HB LEU 61 4.252 -4.574 7.576 569 HG LEU 61 HG LEU 61 2.667 -6.470 7.685 570 1HD1 LEU 61 1HD1 LEU 61 3.105 -8.292 9.277 571 2HD1 LEU 61 2HD1 LEU 61 4.745 -7.685 9.502 572 3HD1 LEU 61 3HD1 LEU 61 4.240 -8.296 7.927 573 1HD2 LEU 61 1HD2 LEU 61 2.063 -6.194 10.026 574 2HD2 LEU 61 2HD2 LEU 61 2.545 -4.654 9.317 575 3HD2 LEU 61 3HD2 LEU 61 3.658 -5.525 10.372 576 H SER 62 HN SER 62 5.507 -5.096 4.234 577 HA SER 62 HA SER 62 2.821 -5.277 3.299 578 1HB SER 62 2HB SER 62 4.465 -3.466 2.682 579 2HB SER 62 1HB SER 62 5.333 -4.664 1.725 580 HG SER 62 HG SER 62 2.687 -4.656 1.118 581 H SER 63 HN SER 63 3.510 -7.753 4.041 582 HA SER 63 HA SER 63 3.591 -9.921 3.476 583 1HB SER 63 2HB SER 63 3.275 -8.886 0.662 584 2HB SER 63 1HB SER 63 3.144 -10.583 1.127 585 HG SER 63 HG SER 63 1.567 -8.968 2.655 586 H ASP 64 HN ASP 64 5.771 -7.754 1.765 587 HA ASP 64 HA ASP 64 7.710 -9.778 1.197 588 1HB ASP 64 2HB ASP 64 7.569 -7.490 0.081 589 2HB ASP 64 1HB ASP 64 8.278 -6.826 1.548 590 H VAL 65 HN VAL 65 7.270 -10.655 3.381 591 HA VAL 65 HA VAL 65 9.506 -10.101 5.107 592 HB VAL 65 HB VAL 65 6.660 -9.688 6.005 593 1HG1 VAL 65 1HG1 VAL 65 7.646 -11.329 7.533 594 2HG1 VAL 65 2HG1 VAL 65 7.437 -9.776 8.340 595 3HG1 VAL 65 3HG1 VAL 65 9.035 -10.275 7.786 596 1HG2 VAL 65 1HG2 VAL 65 7.598 -7.694 7.094 597 2HG2 VAL 65 2HG2 VAL 65 7.889 -7.692 5.356 598 3HG2 VAL 65 3HG2 VAL 65 9.191 -8.114 6.466 599 H ILE 66 HN ILE 66 6.366 -11.700 5.020 600 HA ILE 66 HA ILE 66 7.703 -14.280 5.326 601 HB ILE 66 HB ILE 66 5.475 -14.943 6.561 602 1HG1 ILE 66 2HG1 ILE 66 4.758 -13.008 8.058 603 2HG1 ILE 66 1HG1 ILE 66 5.579 -11.940 6.928 604 1HG2 ILE 66 1HG2 ILE 66 7.667 -13.350 7.880 605 2HG2 ILE 66 2HG2 ILE 66 7.665 -15.085 7.561 606 3HG2 ILE 66 3HG2 ILE 66 6.522 -14.398 8.717 607 1HD1 ILE 66 1HD1 ILE 66 3.205 -11.984 6.502 608 2HD1 ILE 66 2HD1 ILE 66 3.245 -13.736 6.311 609 3HD1 ILE 66 3HD1 ILE 66 4.077 -12.704 5.148 610 H SER 67 HN SER 67 5.324 -12.376 3.791 611 HA SER 67 HA SER 67 3.850 -12.653 2.122 612 1HB SER 67 2HB SER 67 5.944 -13.011 0.946 613 2HB SER 67 1HB SER 67 5.888 -14.726 1.334 614 HG SER 67 HG SER 67 5.095 -13.993 -0.826 615 H ALA 68 HN ALA 68 4.599 -16.035 1.746 616 HA ALA 68 HA ALA 68 1.879 -16.764 2.372 617 1HB ALA 68 1HB ALA 68 3.067 -17.839 0.510 618 2HB ALA 68 2HB ALA 68 2.554 -19.017 1.720 619 3HB ALA 68 3HB ALA 68 4.239 -18.501 1.650 620 H LEU 69 HN LEU 69 1.206 -17.151 4.327 621 HA LEU 69 HA LEU 69 1.056 -17.861 6.467 622 1HB LEU 69 2HB LEU 69 3.743 -19.171 6.046 623 2HB LEU 69 1HB LEU 69 2.619 -19.493 7.355 624 HG LEU 69 HG LEU 69 2.099 -20.060 4.436 625 1HD1 LEU 69 1HD1 LEU 69 2.798 -21.906 6.718 626 2HD1 LEU 69 2HD1 LEU 69 3.814 -21.527 5.326 627 3HD1 LEU 69 3HD1 LEU 69 2.306 -22.417 5.104 628 1HD2 LEU 69 1HD2 LEU 69 0.055 -19.569 5.655 629 2HD2 LEU 69 2HD2 LEU 69 0.500 -20.729 6.906 630 3HD2 LEU 69 3HD2 LEU 69 0.147 -21.288 5.272 631 H SER 70 HN SER 70 1.122 -16.111 7.694 632 HA SER 70 HA SER 70 3.500 -14.524 8.041 633 1HB SER 70 2HB SER 70 1.986 -13.382 9.785 634 2HB SER 70 1HB SER 70 1.464 -13.317 8.101 635 HG SER 70 HG SER 70 -0.229 -14.457 8.585 636 H SER 71 HN SER 71 1.833 -17.068 9.738 637 HA SER 71 HA SER 71 3.589 -16.775 12.049 638 1HB SER 71 2HB SER 71 2.030 -18.631 12.955 639 2HB SER 71 1HB SER 71 1.356 -17.013 12.750 640 HG SER 71 HG SER 71 0.797 -19.368 11.388 641 H GLN 72 HN GLN 72 4.678 -17.700 9.569 642 HA GLN 72 HA GLN 72 5.061 -20.521 9.693 643 1HB GLN 72 2HB GLN 72 6.956 -20.071 8.108 644 2HB GLN 72 1HB GLN 72 5.402 -19.446 7.578 645 1HG GLN 72 2HG GLN 72 6.032 -17.213 8.288 646 2HG GLN 72 1HG GLN 72 7.576 -17.822 8.880 647 1HE2 GLN 72 1HE2 GLN 72 5.649 -17.137 6.075 648 2HE2 GLN 72 2HE2 GLN 72 6.947 -17.146 4.929 649 H LYS 73 HN LYS 73 6.508 -21.685 10.800 650 HA LYS 73 HA LYS 73 8.070 -20.307 12.817 651 1HB LYS 73 2HB LYS 73 7.310 -23.154 12.315 652 2HB LYS 73 1HB LYS 73 8.721 -22.823 13.309 653 1HG LYS 73 2HG LYS 73 6.825 -23.133 14.729 654 2HG LYS 73 1HG LYS 73 7.305 -21.440 14.791 655 1HD LYS 73 2HD LYS 73 4.898 -21.599 14.677 656 2HD LYS 73 1HD LYS 73 5.513 -20.906 13.177 657 1HE LYS 73 2HE LYS 73 3.753 -22.549 12.755 658 2HE LYS 73 1HE LYS 73 5.295 -23.057 12.071 659 1HZ LYS 73 1HZ LYS 73 5.606 -24.603 13.836 660 2HZ LYS 73 2HZ LYS 73 4.032 -24.834 13.247 661 3HZ LYS 73 3HZ LYS 73 4.279 -23.995 14.702 662 H LYS 74 HN LYS 74 10.061 -19.679 12.499 663 HA LYS 74 HA LYS 74 11.875 -21.271 10.857 664 1HB LYS 74 2HB LYS 74 10.792 -19.545 9.382 665 2HB LYS 74 1HB LYS 74 11.500 -18.306 10.410 666 1HG LYS 74 2HG LYS 74 13.742 -19.338 9.878 667 2HG LYS 74 1HG LYS 74 12.909 -20.271 8.632 668 1HD LYS 74 2HD LYS 74 13.814 -18.312 7.597 669 2HD LYS 74 1HD LYS 74 12.062 -18.117 7.688 670 1HE LYS 74 2HE LYS 74 12.541 -16.890 9.907 671 2HE LYS 74 1HE LYS 74 14.201 -16.788 9.320 672 1HZ LYS 74 1HZ LYS 74 13.296 -15.716 7.286 673 2HZ LYS 74 2HZ LYS 74 13.070 -14.808 8.702 674 3HZ LYS 74 3HZ LYS 74 11.773 -15.671 8.034 Start of MODEL 10 1 H HIS -9 H HIS -9 18.335 12.365 -18.728 2 HA HIS -9 HA HIS -9 16.121 11.734 -18.028 3 1HB HIS -9 2HB HIS -9 16.649 11.125 -15.772 4 2HB HIS -9 1HB HIS -9 18.151 11.088 -16.683 5 HD1 HIS -9 1HD HIS -9 16.497 12.693 -13.786 6 HD2 HIS -9 2HD HIS -9 19.979 13.200 -16.011 7 HE1 HIS -9 1HE HIS -9 17.981 14.178 -12.402 8 HE2 HIS -9 2HE HIS -9 20.028 14.572 -13.817 9 H SER -8 HN SER -8 14.206 12.213 -17.054 10 HA SER -8 HA SER -8 13.955 14.719 -15.588 11 1HB SER -8 2HB SER -8 13.520 15.274 -17.984 12 2HB SER -8 1HB SER -8 12.210 14.097 -17.987 13 HG SER -8 HG SER -8 12.382 16.588 -16.677 14 H SER -7 HN SER -7 11.528 12.598 -17.103 15 HA SER -7 HA SER -7 10.361 12.116 -14.492 16 1HB SER -7 2HB SER -7 8.606 10.911 -15.888 17 2HB SER -7 1HB SER -7 8.777 12.641 -16.185 18 HG SER -7 HG SER -7 9.536 10.455 -17.785 19 H GLY -6 HN GLY -6 9.345 9.602 -14.601 20 1HA GLY -6 2HA GLY -6 9.933 7.393 -14.241 21 2HA GLY -6 1HA GLY -6 11.357 7.660 -15.244 22 H HIS -5 HN HIS -5 10.762 9.807 -12.676 23 HA HIS -5 HA HIS -5 13.025 8.680 -11.175 24 1HB HIS -5 2HB HIS -5 13.433 10.894 -12.207 25 2HB HIS -5 1HB HIS -5 12.047 11.546 -11.353 26 HD1 HIS -5 1HD HIS -5 15.593 10.450 -10.837 27 HD2 HIS -5 2HD HIS -5 12.500 12.228 -8.706 28 HE1 HIS -5 1HE HIS -5 16.644 11.343 -8.737 29 HE2 HIS -5 2HE HIS -5 14.813 12.660 -7.623 30 H ILE -4 HN ILE -4 12.704 8.155 -9.078 31 HA ILE -4 HA ILE -4 10.014 8.225 -8.051 32 HB ILE -4 HB ILE -4 11.357 6.272 -7.583 33 1HG1 ILE -4 2HG1 ILE -4 11.165 6.185 -5.090 34 2HG1 ILE -4 1HG1 ILE -4 10.806 7.908 -5.105 35 1HG2 ILE -4 1HG2 ILE -4 13.319 6.342 -6.110 36 2HG2 ILE -4 2HG2 ILE -4 13.245 8.104 -6.119 37 3HG2 ILE -4 3HG2 ILE -4 13.572 7.229 -7.614 38 1HD1 ILE -4 1HD1 ILE -4 9.179 5.758 -6.436 39 2HD1 ILE -4 2HD1 ILE -4 8.811 7.485 -6.439 40 3HD1 ILE -4 3HD1 ILE -4 8.782 6.577 -4.924 41 H GLU -3 HN GLU -3 9.144 9.901 -7.068 42 HA GLU -3 HA GLU -3 10.861 12.049 -6.113 43 1HB GLU -3 2HB GLU -3 7.932 12.301 -5.883 44 2HB GLU -3 1HB GLU -3 9.107 13.447 -6.509 45 1HG GLU -3 2HG GLU -3 7.992 12.969 -8.422 46 2HG GLU -3 1HG GLU -3 9.210 11.696 -8.486 47 H GLY -2 HN GLY -2 10.180 9.385 -4.738 48 1HA GLY -2 2HA GLY -2 10.222 8.827 -2.470 49 2HA GLY -2 1HA GLY -2 9.853 10.504 -2.077 50 H ARG -1 HN ARG -1 8.008 8.528 -4.341 51 HA ARG -1 HA ARG -1 5.651 9.065 -2.729 52 1HB ARG -1 2HB ARG -1 4.346 8.394 -4.578 53 2HB ARG -1 1HB ARG -1 5.690 9.292 -5.270 54 1HG ARG -1 2HG ARG -1 6.774 7.267 -5.953 55 2HG ARG -1 1HG ARG -1 5.587 6.293 -5.076 56 1HD ARG -1 2HD ARG -1 5.208 6.390 -7.537 57 2HD ARG -1 1HD ARG -1 3.844 6.943 -6.569 58 HE ARG -1 HE ARG -1 5.694 8.963 -7.569 59 1HH1 ARG -1 1HH1 ARG -1 2.591 7.334 -7.846 60 2HH1 ARG -1 2HH1 ARG -1 1.890 8.591 -8.819 61 1HH2 ARG -1 1HH2 ARG -1 4.781 10.594 -8.824 62 2HH2 ARG -1 2HH2 ARG -1 3.145 10.449 -9.405 63 H HIS 0 HN HIS 0 4.054 7.176 -2.537 64 HA HIS 0 HA HIS 0 5.589 4.824 -1.714 65 1HB HIS 0 2HB HIS 0 3.978 4.569 0.185 66 2HB HIS 0 1HB HIS 0 5.051 5.955 0.302 67 HD1 HIS 0 1HD HIS 0 3.939 8.051 0.935 68 HD2 HIS 0 2HD HIS 0 1.313 5.385 -0.848 69 HE1 HIS 0 1HE HIS 0 1.700 9.172 1.018 70 HE2 HIS 0 2HE HIS 0 0.096 7.412 0.221 71 H MET 1 HN MET 1 5.000 3.072 -2.782 72 HA MET 1 HA MET 1 2.139 2.715 -3.360 73 1HB MET 1 2HB MET 1 3.396 2.783 -5.431 74 2HB MET 1 1HB MET 1 4.535 1.595 -4.825 75 1HG MET 1 2HG MET 1 2.772 -0.086 -4.775 76 2HG MET 1 1HG MET 1 1.618 1.106 -5.371 77 1HE MET 1 1HE MET 1 0.949 -0.576 -7.349 78 2HE MET 1 2HE MET 1 2.109 -1.734 -6.698 79 3HE MET 1 3HE MET 1 2.136 -1.328 -8.415 80 H LEU 2 HN LEU 2 1.323 1.512 -1.772 81 HA LEU 2 HA LEU 2 3.038 -0.562 -0.592 82 1HB LEU 2 2HB LEU 2 1.952 1.320 0.815 83 2HB LEU 2 1HB LEU 2 0.459 0.428 0.589 84 HG LEU 2 HG LEU 2 1.754 0.027 2.766 85 1HD1 LEU 2 1HD1 LEU 2 -0.088 -1.397 2.084 86 2HD1 LEU 2 2HD1 LEU 2 1.201 -2.352 2.818 87 3HD1 LEU 2 3HD1 LEU 2 1.000 -2.341 1.067 88 1HD2 LEU 2 1HD2 LEU 2 3.971 -0.192 1.731 89 2HD2 LEU 2 2HD2 LEU 2 3.441 -1.679 0.943 90 3HD2 LEU 2 3HD2 LEU 2 3.539 -1.599 2.702 91 H VAL 3 HN VAL 3 2.453 -2.650 -0.624 92 HA VAL 3 HA VAL 3 0.302 -3.247 -2.518 93 HB VAL 3 HB VAL 3 2.705 -3.742 -3.076 94 1HG1 VAL 3 1HG1 VAL 3 3.476 -4.574 -0.951 95 2HG1 VAL 3 2HG1 VAL 3 3.690 -5.801 -2.199 96 3HG1 VAL 3 3HG1 VAL 3 2.359 -5.937 -1.048 97 1HG2 VAL 3 1HG2 VAL 3 0.758 -6.030 -3.127 98 2HG2 VAL 3 2HG2 VAL 3 2.195 -5.876 -4.137 99 3HG2 VAL 3 3HG2 VAL 3 0.873 -4.720 -4.301 100 H LEU 4 HN LEU 4 -1.363 -4.463 -1.979 101 HA LEU 4 HA LEU 4 -1.400 -5.805 0.644 102 1HB LEU 4 2HB LEU 4 -3.315 -4.039 -0.721 103 2HB LEU 4 1HB LEU 4 -4.038 -5.493 -0.069 104 HG LEU 4 HG LEU 4 -2.692 -3.229 1.400 105 1HD1 LEU 4 1HD1 LEU 4 -5.074 -3.039 0.930 106 2HD1 LEU 4 2HD1 LEU 4 -4.780 -3.229 2.657 107 3HD1 LEU 4 3HD1 LEU 4 -5.361 -4.596 1.706 108 1HD2 LEU 4 1HD2 LEU 4 -1.709 -5.181 2.394 109 2HD2 LEU 4 2HD2 LEU 4 -3.264 -6.008 2.432 110 3HD2 LEU 4 3HD2 LEU 4 -2.984 -4.611 3.471 111 H SER 5 HN SER 5 -2.341 -7.867 0.760 112 HA SER 5 HA SER 5 -2.285 -9.350 -1.757 113 1HB SER 5 2HB SER 5 -2.638 -11.290 -0.053 114 2HB SER 5 1HB SER 5 -1.086 -10.459 -0.095 115 HG SER 5 HG SER 5 -1.493 -9.536 1.795 116 H ARG 6 HN ARG 6 -4.091 -9.673 -2.891 117 HA ARG 6 HA ARG 6 -6.575 -10.303 -1.544 118 1HB ARG 6 2HB ARG 6 -6.375 -7.736 -1.889 119 2HB ARG 6 1HB ARG 6 -6.615 -8.095 -3.591 120 1HG ARG 6 2HG ARG 6 -8.693 -7.447 -2.511 121 2HG ARG 6 1HG ARG 6 -8.767 -9.110 -3.094 122 1HD ARG 6 2HD ARG 6 -9.712 -8.672 -0.778 123 2HD ARG 6 1HD ARG 6 -8.559 -9.995 -0.924 124 HE ARG 6 HE ARG 6 -6.890 -8.201 -0.128 125 1HH1 ARG 6 1HH1 ARG 6 -10.242 -8.383 0.882 126 2HH1 ARG 6 2HH1 ARG 6 -9.917 -7.738 2.468 127 1HH2 ARG 6 1HH2 ARG 6 -6.485 -7.350 1.969 128 2HH2 ARG 6 2HH2 ARG 6 -7.808 -7.148 3.076 129 H LYS 7 HN LYS 7 -7.324 -12.041 -2.607 130 HA LYS 7 HA LYS 7 -6.265 -12.539 -5.311 131 1HB LYS 7 2HB LYS 7 -7.659 -14.707 -3.852 132 2HB LYS 7 1HB LYS 7 -6.168 -14.759 -4.782 133 1HG LYS 7 2HG LYS 7 -6.457 -13.666 -1.994 134 2HG LYS 7 1HG LYS 7 -5.784 -15.241 -2.424 135 1HD LYS 7 2HD LYS 7 -3.851 -14.330 -3.237 136 2HD LYS 7 1HD LYS 7 -4.624 -12.795 -3.649 137 1HE LYS 7 2HE LYS 7 -3.168 -12.466 -1.766 138 2HE LYS 7 1HE LYS 7 -4.840 -12.289 -1.256 139 1HZ LYS 7 1HZ LYS 7 -3.219 -14.759 -0.873 140 2HZ LYS 7 2HZ LYS 7 -4.808 -14.504 -0.329 141 3HZ LYS 7 3HZ LYS 7 -3.533 -13.604 0.326 142 H ILE 8 HN ILE 8 -8.260 -10.766 -5.322 143 HA ILE 8 HA ILE 8 -10.689 -12.254 -6.017 144 HB ILE 8 HB ILE 8 -10.781 -9.700 -4.404 145 1HG1 ILE 8 2HG1 ILE 8 -10.637 -12.554 -3.382 146 2HG1 ILE 8 1HG1 ILE 8 -9.505 -11.252 -3.033 147 1HG2 ILE 8 1HG2 ILE 8 -12.829 -10.327 -5.547 148 2HG2 ILE 8 2HG2 ILE 8 -13.023 -10.525 -3.806 149 3HG2 ILE 8 3HG2 ILE 8 -12.765 -11.938 -4.830 150 1HD1 ILE 8 1HD1 ILE 8 -11.213 -10.091 -1.760 151 2HD1 ILE 8 2HD1 ILE 8 -10.991 -11.735 -1.152 152 3HD1 ILE 8 3HD1 ILE 8 -12.387 -11.347 -2.156 153 H ASN 9 HN ASN 9 -8.339 -10.222 -6.950 154 HA ASN 9 HA ASN 9 -8.090 -8.294 -8.145 155 1HB ASN 9 2HB ASN 9 -9.148 -8.520 -10.452 156 2HB ASN 9 1HB ASN 9 -8.067 -9.805 -9.936 157 1HD2 ASN 9 1HD2 ASN 9 -11.439 -8.910 -10.263 158 2HD2 ASN 9 2HD2 ASN 9 -12.038 -10.522 -10.485 159 H GLU 10 HN GLU 10 -9.995 -7.899 -6.180 160 HA GLU 10 HA GLU 10 -12.112 -6.348 -7.403 161 1HB GLU 10 2HB GLU 10 -12.890 -5.967 -5.121 162 2HB GLU 10 1HB GLU 10 -12.620 -7.680 -5.401 163 1HG GLU 10 2HG GLU 10 -10.545 -7.608 -4.187 164 2HG GLU 10 1HG GLU 10 -10.672 -5.858 -3.999 165 H ALA 11 HN ALA 11 -12.444 -4.135 -6.342 166 HA ALA 11 HA ALA 11 -9.853 -2.739 -6.456 167 1HB ALA 11 1HB ALA 11 -11.119 -0.757 -7.166 168 2HB ALA 11 2HB ALA 11 -12.612 -1.694 -7.102 169 3HB ALA 11 3HB ALA 11 -11.356 -2.112 -8.267 170 H ILE 12 HN ILE 12 -9.346 -1.251 -4.871 171 HA ILE 12 HA ILE 12 -11.039 -1.471 -2.481 172 HB ILE 12 HB ILE 12 -8.158 -0.585 -2.593 173 1HG1 ILE 12 2HG1 ILE 12 -8.319 -2.902 -3.379 174 2HG1 ILE 12 1HG1 ILE 12 -7.571 -2.833 -1.786 175 1HG2 ILE 12 1HG2 ILE 12 -9.911 -1.467 -0.310 176 2HG2 ILE 12 2HG2 ILE 12 -9.353 0.174 -0.631 177 3HG2 ILE 12 3HG2 ILE 12 -8.196 -1.082 -0.187 178 1HD1 ILE 12 1HD1 ILE 12 -9.131 -4.692 -1.960 179 2HD1 ILE 12 2HD1 ILE 12 -10.437 -3.568 -2.345 180 3HD1 ILE 12 3HD1 ILE 12 -9.670 -3.517 -0.758 181 H GLN 13 HN GLN 13 -12.366 0.188 -2.346 182 HA GLN 13 HA GLN 13 -11.282 2.882 -2.808 183 1HB GLN 13 2HB GLN 13 -13.252 2.206 -4.231 184 2HB GLN 13 1HB GLN 13 -14.202 2.075 -2.757 185 1HG GLN 13 2HG GLN 13 -12.796 4.620 -3.494 186 2HG GLN 13 1HG GLN 13 -14.386 4.227 -4.141 187 1HE2 GLN 13 1HE2 GLN 13 -13.550 6.422 -2.495 188 2HE2 GLN 13 2HE2 GLN 13 -14.468 6.351 -1.031 189 H ILE 14 HN ILE 14 -10.552 3.550 -0.909 190 HA ILE 14 HA ILE 14 -12.415 3.315 1.341 191 HB ILE 14 HB ILE 14 -10.457 3.540 2.877 192 1HG1 ILE 14 2HG1 ILE 14 -8.915 4.346 0.957 193 2HG1 ILE 14 1HG1 ILE 14 -8.245 3.275 2.182 194 1HG2 ILE 14 1HG2 ILE 14 -11.539 1.432 2.598 195 2HG2 ILE 14 2HG2 ILE 14 -9.797 1.158 2.657 196 3HG2 ILE 14 3HG2 ILE 14 -10.647 1.113 1.109 197 1HD1 ILE 14 1HD1 ILE 14 -7.502 2.660 -0.045 198 2HD1 ILE 14 2HD1 ILE 14 -9.174 2.456 -0.562 199 3HD1 ILE 14 3HD1 ILE 14 -8.494 1.385 0.661 200 H GLY 15 HN GLY 15 -13.445 5.123 1.465 201 1HA GLY 15 2HA GLY 15 -13.880 7.274 1.992 202 2HA GLY 15 1HA GLY 15 -12.279 7.306 2.711 203 H ALA 16 HN ALA 16 -12.567 6.706 -0.667 204 HA ALA 16 HA ALA 16 -12.358 7.929 -2.555 205 1HB ALA 16 1HB ALA 16 -12.925 10.268 -2.611 206 2HB ALA 16 2HB ALA 16 -12.812 10.372 -0.853 207 3HB ALA 16 3HB ALA 16 -14.077 9.396 -1.603 208 H ASP 17 HN ASP 17 -10.287 8.359 0.099 209 HA ASP 17 HA ASP 17 -8.372 10.069 -1.157 210 1HB ASP 17 2HB ASP 17 -8.462 9.633 1.336 211 2HB ASP 17 1HB ASP 17 -7.830 8.021 1.005 212 H ILE 18 HN ILE 18 -9.053 6.656 -1.039 213 HA ILE 18 HA ILE 18 -6.994 6.207 -3.074 214 HB ILE 18 HB ILE 18 -7.246 4.638 -0.506 215 1HG1 ILE 18 2HG1 ILE 18 -5.805 6.652 -0.462 216 2HG1 ILE 18 1HG1 ILE 18 -4.889 5.166 -0.228 217 1HG2 ILE 18 1HG2 ILE 18 -5.575 3.087 -1.439 218 2HG2 ILE 18 2HG2 ILE 18 -5.692 3.912 -2.995 219 3HG2 ILE 18 3HG2 ILE 18 -7.090 3.055 -2.344 220 1HD1 ILE 18 1HD1 ILE 18 -5.080 6.757 -2.776 221 2HD1 ILE 18 2HD1 ILE 18 -4.179 5.252 -2.570 222 3HD1 ILE 18 3HD1 ILE 18 -3.703 6.697 -1.674 223 H GLU 19 HN GLU 19 -8.016 5.467 -4.736 224 HA GLU 19 HA GLU 19 -9.698 3.095 -4.427 225 1HB GLU 19 2HB GLU 19 -11.187 3.976 -6.265 226 2HB GLU 19 1HB GLU 19 -11.334 4.825 -4.730 227 1HG GLU 19 2HG GLU 19 -10.005 6.648 -5.550 228 2HG GLU 19 1HG GLU 19 -9.664 5.777 -7.044 229 H VAL 20 HN VAL 20 -8.690 1.513 -5.557 230 HA VAL 20 HA VAL 20 -7.925 1.605 -8.204 231 HB VAL 20 HB VAL 20 -6.306 3.350 -7.431 232 1HG1 VAL 20 1HG1 VAL 20 -4.300 2.624 -6.196 233 2HG1 VAL 20 2HG1 VAL 20 -5.069 1.061 -5.913 234 3HG1 VAL 20 3HG1 VAL 20 -5.775 2.527 -5.234 235 1HG2 VAL 20 1HG2 VAL 20 -4.358 2.423 -8.603 236 2HG2 VAL 20 2HG2 VAL 20 -5.868 2.108 -9.457 237 3HG2 VAL 20 3HG2 VAL 20 -5.095 0.821 -8.530 238 H LYS 21 HN LYS 21 -7.094 -0.348 -8.898 239 HA LYS 21 HA LYS 21 -6.060 -2.202 -6.894 240 1HB LYS 21 2HB LYS 21 -7.128 -4.041 -8.331 241 2HB LYS 21 1HB LYS 21 -8.181 -3.135 -7.257 242 1HG LYS 21 2HG LYS 21 -9.068 -1.863 -9.045 243 2HG LYS 21 1HG LYS 21 -7.840 -2.470 -10.169 244 1HD LYS 21 2HD LYS 21 -8.779 -4.786 -9.736 245 2HD LYS 21 1HD LYS 21 -10.126 -3.986 -8.924 246 1HE LYS 21 2HE LYS 21 -9.298 -3.413 -11.762 247 2HE LYS 21 1HE LYS 21 -10.523 -4.597 -11.320 248 1HZ LYS 21 1HZ LYS 21 -11.418 -2.395 -11.950 249 2HZ LYS 21 2HZ LYS 21 -10.669 -1.724 -10.583 250 3HZ LYS 21 3HZ LYS 21 -11.878 -2.898 -10.395 251 H VAL 22 HN VAL 22 -3.964 -1.894 -7.459 252 HA VAL 22 HA VAL 22 -3.245 -2.446 -10.255 253 HB VAL 22 HB VAL 22 -1.446 -1.511 -8.005 254 1HG1 VAL 22 1HG1 VAL 22 -0.974 -1.702 -10.975 255 2HG1 VAL 22 2HG1 VAL 22 -0.239 -2.710 -9.728 256 3HG1 VAL 22 3HG1 VAL 22 0.138 -0.989 -9.808 257 1HG2 VAL 22 1HG2 VAL 22 -2.689 0.079 -10.250 258 2HG2 VAL 22 2HG2 VAL 22 -1.493 0.683 -9.100 259 3HG2 VAL 22 3HG2 VAL 22 -3.093 0.201 -8.536 260 H ILE 23 HN ILE 23 -3.056 -4.549 -10.621 261 HA ILE 23 HA ILE 23 -2.464 -6.294 -8.374 262 HB ILE 23 HB ILE 23 -3.372 -6.967 -11.171 263 1HG1 ILE 23 2HG1 ILE 23 -4.925 -6.988 -8.576 264 2HG1 ILE 23 1HG1 ILE 23 -4.978 -5.656 -9.728 265 1HG2 ILE 23 1HG2 ILE 23 -3.156 -8.704 -8.715 266 2HG2 ILE 23 2HG2 ILE 23 -2.143 -8.808 -10.158 267 3HG2 ILE 23 3HG2 ILE 23 -3.863 -9.187 -10.259 268 1HD1 ILE 23 1HD1 ILE 23 -6.898 -7.104 -9.980 269 2HD1 ILE 23 2HD1 ILE 23 -5.847 -8.495 -10.233 270 3HD1 ILE 23 3HD1 ILE 23 -5.882 -7.190 -11.418 271 H ALA 24 HN ALA 24 -0.626 -7.276 -8.074 272 HA ALA 24 HA ALA 24 1.344 -7.285 -10.260 273 1HB ALA 24 1HB ALA 24 1.912 -5.527 -8.668 274 2HB ALA 24 2HB ALA 24 3.101 -6.830 -8.610 275 3HB ALA 24 3HB ALA 24 1.877 -6.695 -7.349 276 H VAL 25 HN VAL 25 3.257 -8.791 -9.532 277 HA VAL 25 HA VAL 25 1.971 -11.350 -9.121 278 HB VAL 25 HB VAL 25 4.255 -12.229 -9.822 279 1HG1 VAL 25 1HG1 VAL 25 2.334 -12.223 -11.295 280 2HG1 VAL 25 2HG1 VAL 25 3.789 -11.803 -12.198 281 3HG1 VAL 25 3HG1 VAL 25 2.646 -10.544 -11.731 282 1HG2 VAL 25 1HG2 VAL 25 5.569 -10.230 -9.392 283 2HG2 VAL 25 2HG2 VAL 25 4.622 -9.332 -10.579 284 3HG2 VAL 25 3HG2 VAL 25 5.658 -10.660 -11.101 285 H GLU 26 HN GLU 26 1.995 -12.345 -7.310 286 HA GLU 26 HA GLU 26 4.079 -11.824 -5.300 287 1HB GLU 26 2HB GLU 26 1.664 -11.519 -4.684 288 2HB GLU 26 1HB GLU 26 1.400 -13.220 -5.048 289 1HG GLU 26 2HG GLU 26 1.543 -12.973 -2.698 290 2HG GLU 26 1HG GLU 26 3.009 -13.790 -3.241 291 H GLY 27 HN GLY 27 4.861 -13.271 -7.488 292 1HA GLY 27 2HA GLY 27 5.910 -15.268 -8.003 293 2HA GLY 27 1HA GLY 27 5.373 -15.910 -6.453 294 H ASP 28 HN ASP 28 3.055 -16.441 -6.287 295 HA ASP 28 HA ASP 28 1.846 -17.197 -8.852 296 1HB ASP 28 2HB ASP 28 1.239 -19.382 -8.018 297 2HB ASP 28 1HB ASP 28 2.975 -19.180 -7.808 298 H GLN 29 HN GLN 29 1.552 -15.282 -6.411 299 HA GLN 29 HA GLN 29 -1.328 -15.712 -5.981 300 1HB GLN 29 2HB GLN 29 -0.076 -15.961 -3.917 301 2HB GLN 29 1HB GLN 29 0.774 -14.455 -4.218 302 1HG GLN 29 2HG GLN 29 -1.162 -13.157 -3.750 303 2HG GLN 29 1HG GLN 29 -2.194 -14.598 -3.740 304 1HE2 GLN 29 1HE2 GLN 29 0.340 -12.888 -2.049 305 2HE2 GLN 29 2HE2 GLN 29 0.103 -13.658 -0.519 306 H VAL 30 HN VAL 30 -2.622 -13.765 -5.855 307 HA VAL 30 HA VAL 30 -1.413 -11.596 -7.411 308 HB VAL 30 HB VAL 30 -3.743 -11.006 -8.124 309 1HG1 VAL 30 1HG1 VAL 30 -3.971 -12.857 -9.751 310 2HG1 VAL 30 2HG1 VAL 30 -2.751 -13.757 -8.853 311 3HG1 VAL 30 3HG1 VAL 30 -2.325 -12.237 -9.642 312 1HG2 VAL 30 1HG2 VAL 30 -4.949 -12.093 -6.302 313 2HG2 VAL 30 2HG2 VAL 30 -4.441 -13.672 -6.904 314 3HG2 VAL 30 3HG2 VAL 30 -5.515 -12.662 -7.874 315 H LYS 31 HN LYS 31 -1.257 -9.705 -6.529 316 HA LYS 31 HA LYS 31 -2.993 -9.046 -4.272 317 1HB LYS 31 2HB LYS 31 -1.181 -8.450 -2.879 318 2HB LYS 31 1HB LYS 31 -0.738 -9.999 -3.585 319 1HG LYS 31 2HG LYS 31 0.565 -8.692 -5.304 320 2HG LYS 31 1HG LYS 31 0.280 -7.270 -4.304 321 1HD LYS 31 2HD LYS 31 1.716 -9.797 -3.484 322 2HD LYS 31 1HD LYS 31 2.443 -8.216 -3.779 323 1HE LYS 31 2HE LYS 31 1.097 -7.295 -1.917 324 2HE LYS 31 1HE LYS 31 0.488 -8.921 -1.598 325 1HZ LYS 31 1HZ LYS 31 2.389 -8.267 -0.161 326 2HZ LYS 31 2HZ LYS 31 3.372 -8.192 -1.539 327 3HZ LYS 31 3HZ LYS 31 2.683 -9.668 -1.077 328 H LEU 32 HN LEU 32 -3.345 -6.791 -3.999 329 HA LEU 32 HA LEU 32 -2.807 -5.247 -6.433 330 1HB LEU 32 2HB LEU 32 -4.526 -3.699 -5.575 331 2HB LEU 32 1HB LEU 32 -5.140 -5.308 -5.870 332 HG LEU 32 HG LEU 32 -4.510 -5.484 -3.220 333 1HD1 LEU 32 1HD1 LEU 32 -5.328 -3.452 -2.129 334 2HD1 LEU 32 2HD1 LEU 32 -5.413 -2.648 -3.696 335 3HD1 LEU 32 3HD1 LEU 32 -3.852 -3.161 -3.052 336 1HD2 LEU 32 1HD2 LEU 32 -6.912 -5.173 -2.812 337 2HD2 LEU 32 2HD2 LEU 32 -6.606 -6.173 -4.235 338 3HD2 LEU 32 3HD2 LEU 32 -7.088 -4.487 -4.428 339 H GLY 33 HN GLY 33 -2.327 -2.896 -6.126 340 1HA GLY 33 2HA GLY 33 -0.936 -2.357 -3.591 341 2HA GLY 33 1HA GLY 33 -0.079 -2.131 -5.111 342 H ILE 34 HN ILE 34 -1.318 -0.376 -2.798 343 HA ILE 34 HA ILE 34 -2.712 1.498 -4.562 344 HB ILE 34 HB ILE 34 -3.515 2.673 -2.664 345 1HG1 ILE 34 2HG1 ILE 34 -2.213 0.937 -0.634 346 2HG1 ILE 34 1HG1 ILE 34 -1.194 2.149 -1.419 347 1HG2 ILE 34 1HG2 ILE 34 -3.637 -0.289 -2.135 348 2HG2 ILE 34 2HG2 ILE 34 -4.715 0.644 -3.175 349 3HG2 ILE 34 3HG2 ILE 34 -4.712 0.919 -1.431 350 1HD1 ILE 34 1HD1 ILE 34 -2.770 3.889 -0.731 351 2HD1 ILE 34 2HD1 ILE 34 -2.132 2.994 0.647 352 3HD1 ILE 34 3HD1 ILE 34 -3.763 2.666 0.062 353 H ASP 35 HN ASP 35 -1.670 3.136 -5.420 354 HA ASP 35 HA ASP 35 0.755 4.100 -4.070 355 1HB ASP 35 2HB ASP 35 1.437 3.056 -6.119 356 2HB ASP 35 1HB ASP 35 0.186 3.889 -7.028 357 H ALA 36 HN ALA 36 1.024 6.269 -3.867 358 HA ALA 36 HA ALA 36 -1.181 7.998 -4.728 359 1HB ALA 36 1HB ALA 36 -1.369 8.952 -2.474 360 2HB ALA 36 2HB ALA 36 -0.197 7.773 -1.881 361 3HB ALA 36 3HB ALA 36 -1.763 7.233 -2.486 362 HA PRO 37 HA PRO 37 1.990 10.920 -5.629 363 1HB PRO 37 2HB PRO 37 0.266 13.107 -4.700 364 2HB PRO 37 1HB PRO 37 0.822 12.735 -6.333 365 1HG PRO 37 2HG PRO 37 -1.743 12.389 -5.580 366 2HG PRO 37 1HG PRO 37 -0.950 11.333 -6.763 367 1HD PRO 37 2HD PRO 37 -1.512 10.856 -3.862 368 2HD PRO 37 1HD PRO 37 -1.658 9.739 -5.239 369 H LYS 38 HN LYS 38 1.840 9.893 -2.832 370 HA LYS 38 HA LYS 38 2.860 10.163 -0.852 371 1HB LYS 38 2HB LYS 38 4.759 10.488 -2.409 372 2HB LYS 38 1HB LYS 38 4.517 12.226 -2.300 373 1HG LYS 38 2HG LYS 38 6.338 11.314 -0.883 374 2HG LYS 38 1HG LYS 38 5.114 12.241 -0.014 375 1HD LYS 38 2HD LYS 38 4.099 10.268 0.849 376 2HD LYS 38 1HD LYS 38 5.055 9.231 -0.221 377 1HE LYS 38 2HE LYS 38 6.674 11.013 1.391 378 2HE LYS 38 1HE LYS 38 5.706 9.897 2.358 379 1HZ LYS 38 1HZ LYS 38 7.466 9.053 0.126 380 2HZ LYS 38 2HZ LYS 38 6.714 8.061 1.277 381 3HZ LYS 38 3HZ LYS 38 7.971 9.098 1.743 382 H HIS 39 HN HIS 39 0.543 11.919 -1.468 383 HA HIS 39 HA HIS 39 0.823 14.110 0.351 384 1HB HIS 39 2HB HIS 39 -1.572 14.287 0.219 385 2HB HIS 39 1HB HIS 39 -1.028 13.812 -1.385 386 HD1 HIS 39 1HD HIS 39 -0.659 10.758 -0.149 387 HD2 HIS 39 2HD HIS 39 -4.100 13.056 -0.366 388 HE1 HIS 39 1HE HIS 39 -2.522 9.148 0.022 389 HE2 HIS 39 2HE HIS 39 -4.614 10.566 0.121 390 H ILE 40 HN ILE 40 -1.414 13.486 2.100 391 HA ILE 40 HA ILE 40 -0.354 11.222 3.648 392 HB ILE 40 HB ILE 40 -1.171 12.270 5.687 393 1HG1 ILE 40 2HG1 ILE 40 -2.981 13.550 4.340 394 2HG1 ILE 40 1HG1 ILE 40 -2.328 14.292 5.802 395 1HG2 ILE 40 1HG2 ILE 40 0.398 14.172 5.844 396 2HG2 ILE 40 2HG2 ILE 40 0.618 14.101 4.094 397 3HG2 ILE 40 3HG2 ILE 40 1.116 12.741 5.102 398 1HD1 ILE 40 1HD1 ILE 40 -2.573 15.913 4.007 399 2HD1 ILE 40 2HD1 ILE 40 -1.532 14.941 2.969 400 3HD1 ILE 40 3HD1 ILE 40 -0.872 15.694 4.419 401 H ASP 41 HN ASP 41 -1.907 9.986 4.762 402 HA ASP 41 HA ASP 41 -4.287 9.725 3.151 403 1HB ASP 41 2HB ASP 41 -4.548 7.587 4.521 404 2HB ASP 41 1HB ASP 41 -3.158 7.710 3.446 405 H ILE 42 HN ILE 42 -6.120 10.535 3.642 406 HA ILE 42 HA ILE 42 -6.683 11.665 6.236 407 HB ILE 42 HB ILE 42 -8.637 11.331 3.960 408 1HG1 ILE 42 2HG1 ILE 42 -6.584 13.522 4.335 409 2HG1 ILE 42 1HG1 ILE 42 -6.585 12.312 3.055 410 1HG2 ILE 42 1HG2 ILE 42 -9.577 12.079 6.065 411 2HG2 ILE 42 2HG2 ILE 42 -9.610 13.387 4.883 412 3HG2 ILE 42 3HG2 ILE 42 -8.390 13.381 6.158 413 1HD1 ILE 42 1HD1 ILE 42 -8.666 13.246 2.186 414 2HD1 ILE 42 2HD1 ILE 42 -7.385 14.456 2.252 415 3HD1 ILE 42 3HD1 ILE 42 -8.660 14.457 3.469 416 H HIS 43 HN HIS 43 -8.276 10.930 7.692 417 HA HIS 43 HA HIS 43 -9.657 8.431 7.019 418 1HB HIS 43 2HB HIS 43 -8.472 8.683 9.763 419 2HB HIS 43 1HB HIS 43 -9.027 7.240 8.908 420 HD1 HIS 43 1HD HIS 43 -6.032 8.825 9.966 421 HD2 HIS 43 2HD HIS 43 -7.175 6.767 6.532 422 HE1 HIS 43 1HE HIS 43 -3.899 8.080 8.864 423 HE2 HIS 43 2HE HIS 43 -4.594 6.965 6.743 424 H ARG 44 HN ARG 44 -11.341 7.952 8.793 425 HA ARG 44 HA ARG 44 -12.719 10.480 9.250 426 1HB ARG 44 2HB ARG 44 -13.680 7.639 9.613 427 2HB ARG 44 1HB ARG 44 -14.665 9.079 9.833 428 1HG ARG 44 2HG ARG 44 -14.100 9.653 7.428 429 2HG ARG 44 1HG ARG 44 -13.487 8.004 7.292 430 1HD ARG 44 2HD ARG 44 -15.792 8.132 6.522 431 2HD ARG 44 1HD ARG 44 -15.681 7.146 7.982 432 HE ARG 44 HE ARG 44 -16.230 9.708 8.837 433 1HH1 ARG 44 1HH1 ARG 44 -17.800 7.327 6.799 434 2HH1 ARG 44 2HH1 ARG 44 -19.403 7.877 7.183 435 1HH2 ARG 44 1HH2 ARG 44 -18.329 10.424 9.352 436 2HH2 ARG 44 2HH2 ARG 44 -19.708 9.630 8.634 437 H LYS 45 HN LYS 45 -13.269 7.784 11.378 438 HA LYS 45 HA LYS 45 -12.049 9.328 13.580 439 1HB LYS 45 2HB LYS 45 -14.348 7.356 13.695 440 2HB LYS 45 1HB LYS 45 -13.637 8.167 15.085 441 1HG LYS 45 2HG LYS 45 -14.310 10.336 14.137 442 2HG LYS 45 1HG LYS 45 -15.074 9.488 12.792 443 1HD LYS 45 2HD LYS 45 -16.557 8.342 14.376 444 2HD LYS 45 1HD LYS 45 -15.804 9.225 15.706 445 1HE LYS 45 2HE LYS 45 -17.837 10.341 15.151 446 2HE LYS 45 1HE LYS 45 -16.502 11.347 14.592 447 1HZ LYS 45 1HZ LYS 45 -16.851 10.320 12.351 448 2HZ LYS 45 2HZ LYS 45 -18.120 11.306 12.885 449 3HZ LYS 45 3HZ LYS 45 -18.273 9.617 12.954 450 H GLU 46 HN GLU 46 -12.342 6.335 11.926 451 HA GLU 46 HA GLU 46 -10.068 5.252 13.455 452 1HB GLU 46 2HB GLU 46 -10.722 3.058 12.669 453 2HB GLU 46 1HB GLU 46 -12.145 3.822 13.363 454 1HG GLU 46 2HG GLU 46 -11.544 3.754 10.410 455 2HG GLU 46 1HG GLU 46 -12.541 2.564 11.240 456 H ILE 47 HN ILE 47 -8.649 3.843 11.762 457 HA ILE 47 HA ILE 47 -8.321 5.607 9.457 458 HB ILE 47 HB ILE 47 -6.252 4.537 8.948 459 1HG1 ILE 47 2HG1 ILE 47 -6.655 2.759 11.365 460 2HG1 ILE 47 1HG1 ILE 47 -6.922 2.235 9.702 461 1HG2 ILE 47 1HG2 ILE 47 -6.185 6.334 10.564 462 2HG2 ILE 47 2HG2 ILE 47 -4.970 5.126 10.981 463 3HG2 ILE 47 3HG2 ILE 47 -6.484 5.202 11.882 464 1HD1 ILE 47 1HD1 ILE 47 -4.288 3.299 10.691 465 2HD1 ILE 47 2HD1 ILE 47 -4.628 2.462 9.171 466 3HD1 ILE 47 3HD1 ILE 47 -4.722 1.589 10.701 467 H TYR 48 HN TYR 48 -9.150 5.148 7.592 468 HA TYR 48 HA TYR 48 -10.434 2.583 7.269 469 1HB TYR 48 2HB TYR 48 -11.703 3.642 5.487 470 2HB TYR 48 1HB TYR 48 -11.712 4.629 6.946 471 HD1 TYR 48 1HD TYR 48 -9.204 4.442 4.175 472 HD2 TYR 48 2HD TYR 48 -12.038 6.775 6.308 473 HE1 TYR 48 1HE TYR 48 -8.609 6.396 2.805 474 HE2 TYR 48 2HE TYR 48 -11.443 8.740 4.966 475 HH TYR 48 HH TYR 48 -9.422 9.513 3.638 476 H LEU 49 HN LEU 49 -7.487 3.746 6.549 477 HA LEU 49 HA LEU 49 -7.312 2.536 3.876 478 1HB LEU 49 2HB LEU 49 -6.292 4.961 5.044 479 2HB LEU 49 1HB LEU 49 -4.966 3.964 4.474 480 HG LEU 49 HG LEU 49 -7.294 4.510 2.677 481 1HD1 LEU 49 1HD1 LEU 49 -4.946 6.322 3.185 482 2HD1 LEU 49 2HD1 LEU 49 -6.655 6.699 3.420 483 3HD1 LEU 49 3HD1 LEU 49 -6.020 6.444 1.791 484 1HD2 LEU 49 1HD2 LEU 49 -5.688 2.816 2.014 485 2HD2 LEU 49 2HD2 LEU 49 -4.365 3.963 2.230 486 3HD2 LEU 49 3HD2 LEU 49 -5.563 4.225 0.963 487 H THR 50 HN THR 50 -4.914 3.173 6.394 488 HA THR 50 HA THR 50 -3.547 1.793 7.567 489 HB THR 50 HB THR 50 -5.295 -0.342 6.388 490 HG1 THR 50 1HG THR 50 -6.360 -0.226 8.224 491 1HG2 THR 50 1HG2 THR 50 -3.099 -0.720 8.425 492 2HG2 THR 50 2HG2 THR 50 -3.043 -1.275 6.751 493 3HG2 THR 50 3HG2 THR 50 -4.225 -1.960 7.868 494 H ILE 51 HN ILE 51 -4.119 1.068 4.209 495 HA ILE 51 HA ILE 51 -1.829 -0.473 3.698 496 HB ILE 51 HB ILE 51 -2.859 1.334 1.543 497 1HG1 ILE 51 2HG1 ILE 51 -4.380 -1.065 2.594 498 2HG1 ILE 51 1HG1 ILE 51 -4.837 0.605 2.887 499 1HG2 ILE 51 1HG2 ILE 51 -1.128 -0.288 1.033 500 2HG2 ILE 51 2HG2 ILE 51 -2.631 -0.718 0.216 501 3HG2 ILE 51 3HG2 ILE 51 -2.133 -1.592 1.665 502 1HD1 ILE 51 1HD1 ILE 51 -6.172 -0.353 1.119 503 2HD1 ILE 51 2HD1 ILE 51 -4.716 -0.757 0.210 504 3HD1 ILE 51 3HD1 ILE 51 -5.148 0.932 0.482 505 H GLN 52 HN GLN 52 -2.309 2.991 2.818 506 HA GLN 52 HA GLN 52 0.557 3.305 2.623 507 1HB GLN 52 2HB GLN 52 0.211 5.310 1.625 508 2HB GLN 52 1HB GLN 52 -1.337 4.553 1.269 509 1HG GLN 52 2HG GLN 52 -2.303 5.710 3.215 510 2HG GLN 52 1HG GLN 52 -0.751 6.507 3.478 511 1HE2 GLN 52 1HE2 GLN 52 -3.594 6.380 1.592 512 2HE2 GLN 52 2HE2 GLN 52 -3.313 7.786 0.663 513 H GLU 53 HN GLU 53 -1.709 3.459 5.125 514 HA GLU 53 HA GLU 53 -0.411 5.467 6.703 515 1HB GLU 53 2HB GLU 53 -2.836 4.706 6.917 516 2HB GLU 53 1HB GLU 53 -2.230 3.229 7.663 517 1HG GLU 53 2HG GLU 53 -1.680 5.978 8.750 518 2HG GLU 53 1HG GLU 53 -3.070 5.009 9.227 519 H GLU 54 HN GLU 54 -0.464 1.933 6.627 520 HA GLU 54 HA GLU 54 1.557 1.371 8.445 521 1HB GLU 54 2HB GLU 54 0.547 0.039 5.945 522 2HB GLU 54 1HB GLU 54 2.000 -0.589 6.733 523 1HG GLU 54 2HG GLU 54 -0.691 -0.263 8.053 524 2HG GLU 54 1HG GLU 54 -0.058 -1.769 7.389 525 H ASN 55 HN ASN 55 1.721 2.247 5.039 526 HA ASN 55 HA ASN 55 4.647 2.180 5.083 527 1HB ASN 55 2HB ASN 55 3.350 1.076 3.258 528 2HB ASN 55 1HB ASN 55 2.738 2.652 2.783 529 1HD2 ASN 55 1HD2 ASN 55 5.367 0.461 2.662 530 2HD2 ASN 55 2HD2 ASN 55 6.359 1.404 1.611 531 H ASN 56 HN ASN 56 2.891 4.294 2.982 532 HA ASN 56 HA ASN 56 2.955 6.500 2.534 533 1HB ASN 56 2HB ASN 56 2.057 6.646 4.908 534 2HB ASN 56 1HB ASN 56 3.716 6.990 5.415 535 1HD2 ASN 56 1HD2 ASN 56 1.375 8.699 5.617 536 2HD2 ASN 56 2HD2 ASN 56 1.751 10.135 4.727 537 H ARG 57 HN ARG 57 5.531 6.005 4.915 538 HA ARG 57 HA ARG 57 7.467 7.335 3.230 539 1HB ARG 57 2HB ARG 57 8.989 6.354 5.181 540 2HB ARG 57 1HB ARG 57 8.005 7.794 5.409 541 1HG ARG 57 2HG ARG 57 6.353 6.602 6.592 542 2HG ARG 57 1HG ARG 57 7.025 5.045 6.106 543 1HD ARG 57 2HD ARG 57 8.918 5.337 7.485 544 2HD ARG 57 1HD ARG 57 8.528 7.031 7.784 545 HE ARG 57 HE ARG 57 6.382 5.818 8.793 546 1HH1 ARG 57 1HH1 ARG 57 9.778 5.059 9.116 547 2HH1 ARG 57 2HH1 ARG 57 9.626 4.479 10.748 548 1HH2 ARG 57 1HH2 ARG 57 6.167 5.048 10.939 549 2HH2 ARG 57 2HH2 ARG 57 7.576 4.475 11.786 550 H ALA 58 HN ALA 58 7.558 4.195 4.885 551 HA ALA 58 HA ALA 58 7.960 2.582 2.640 552 1HB ALA 58 1HB ALA 58 10.056 3.808 2.359 553 2HB ALA 58 2HB ALA 58 10.361 2.124 2.787 554 3HB ALA 58 3HB ALA 58 10.531 3.388 4.007 555 H ALA 59 HN ALA 59 6.594 1.278 3.864 556 HA ALA 59 HA ALA 59 7.675 0.141 6.334 557 1HB ALA 59 1HB ALA 59 5.490 -0.894 6.613 558 2HB ALA 59 2HB ALA 59 4.988 -0.285 5.036 559 3HB ALA 59 3HB ALA 59 5.330 0.841 6.349 560 H ALA 60 HN ALA 60 8.105 -2.018 6.593 561 HA ALA 60 HA ALA 60 8.566 -4.179 6.127 562 1HB ALA 60 1HB ALA 60 6.954 -3.794 3.612 563 2HB ALA 60 2HB ALA 60 6.312 -4.289 5.178 564 3HB ALA 60 3HB ALA 60 7.446 -5.333 4.320 565 H LEU 61 HN LEU 61 9.770 -1.645 4.479 566 HA LEU 61 HA LEU 61 11.207 -2.894 2.377 567 1HB LEU 61 2HB LEU 61 11.008 -0.271 3.538 568 2HB LEU 61 1HB LEU 61 12.695 -0.687 3.311 569 HG LEU 61 HG LEU 61 11.792 0.541 1.391 570 1HD1 LEU 61 1HD1 LEU 61 12.545 -0.976 -0.359 571 2HD1 LEU 61 2HD1 LEU 61 12.437 -2.333 0.761 572 3HD1 LEU 61 3HD1 LEU 61 13.610 -1.048 1.046 573 1HD2 LEU 61 1HD2 LEU 61 10.147 -0.540 -0.084 574 2HD2 LEU 61 2HD2 LEU 61 9.475 -0.161 1.502 575 3HD2 LEU 61 3HD2 LEU 61 9.934 -1.819 1.110 576 H SER 62 HN SER 62 12.631 -4.447 2.672 577 HA SER 62 HA SER 62 14.251 -5.777 3.513 578 1HB SER 62 2HB SER 62 15.146 -3.189 4.771 579 2HB SER 62 1HB SER 62 16.129 -4.650 4.652 580 HG SER 62 HG SER 62 15.616 -4.426 2.277 581 H SER 63 HN SER 63 11.779 -4.930 5.137 582 HA SER 63 HA SER 63 12.555 -6.217 7.644 583 1HB SER 63 2HB SER 63 10.637 -3.894 7.414 584 2HB SER 63 1HB SER 63 11.195 -4.654 8.905 585 HG SER 63 HG SER 63 12.729 -3.140 7.052 586 H ASP 64 HN ASP 64 11.564 -7.348 5.374 587 HA ASP 64 HA ASP 64 8.892 -7.543 4.868 588 1HB ASP 64 2HB ASP 64 10.749 -9.923 4.854 589 2HB ASP 64 1HB ASP 64 9.347 -9.647 3.827 590 H VAL 65 HN VAL 65 7.464 -7.612 6.515 591 HA VAL 65 HA VAL 65 7.635 -9.507 8.670 592 HB VAL 65 HB VAL 65 5.205 -7.945 7.764 593 1HG1 VAL 65 1HG1 VAL 65 5.912 -9.110 10.460 594 2HG1 VAL 65 2HG1 VAL 65 4.749 -9.788 9.322 595 3HG1 VAL 65 3HG1 VAL 65 4.445 -8.218 10.064 596 1HG2 VAL 65 1HG2 VAL 65 7.091 -6.429 8.175 597 2HG2 VAL 65 2HG2 VAL 65 7.297 -7.127 9.782 598 3HG2 VAL 65 3HG2 VAL 65 5.824 -6.242 9.386 599 H ILE 66 HN ILE 66 4.966 -9.041 6.411 600 HA ILE 66 HA ILE 66 5.175 -11.736 5.409 601 HB ILE 66 HB ILE 66 2.492 -11.762 5.877 602 1HG1 ILE 66 2HG1 ILE 66 2.297 -11.400 8.388 603 2HG1 ILE 66 1HG1 ILE 66 3.803 -10.501 8.288 604 1HG2 ILE 66 1HG2 ILE 66 4.680 -12.954 7.559 605 2HG2 ILE 66 2HG2 ILE 66 3.948 -13.649 6.114 606 3HG2 ILE 66 3HG2 ILE 66 2.994 -13.468 7.585 607 1HD1 ILE 66 1HD1 ILE 66 1.252 -9.809 6.855 608 2HD1 ILE 66 2HD1 ILE 66 2.759 -8.896 6.792 609 3HD1 ILE 66 3HD1 ILE 66 1.871 -9.030 8.311 610 H SER 67 HN SER 67 3.263 -8.756 5.503 611 HA SER 67 HA SER 67 2.352 -7.453 3.902 612 1HB SER 67 2HB SER 67 4.479 -7.667 2.700 613 2HB SER 67 1HB SER 67 3.915 -9.159 1.952 614 HG SER 67 HG SER 67 2.822 -6.548 1.638 615 H ALA 68 HN ALA 68 2.417 -10.811 2.706 616 HA ALA 68 HA ALA 68 -0.439 -10.573 2.072 617 1HB ALA 68 1HB ALA 68 -0.145 -12.713 0.921 618 2HB ALA 68 2HB ALA 68 1.536 -12.769 1.454 619 3HB ALA 68 3HB ALA 68 1.007 -11.509 0.338 620 H LEU 69 HN LEU 69 -1.774 -11.062 3.675 621 HA LEU 69 HA LEU 69 -2.812 -12.134 5.361 622 1HB LEU 69 2HB LEU 69 -0.990 -14.447 4.695 623 2HB LEU 69 1HB LEU 69 -2.452 -14.524 5.663 624 HG LEU 69 HG LEU 69 -2.337 -13.827 2.725 625 1HD1 LEU 69 1HD1 LEU 69 -3.304 -16.321 4.116 626 2HD1 LEU 69 2HD1 LEU 69 -1.842 -16.178 3.139 627 3HD1 LEU 69 3HD1 LEU 69 -3.425 -15.986 2.389 628 1HD2 LEU 69 1HD2 LEU 69 -4.704 -14.253 4.544 629 2HD2 LEU 69 2HD2 LEU 69 -4.767 -13.961 2.805 630 3HD2 LEU 69 3HD2 LEU 69 -4.171 -12.704 3.891 631 H SER 70 HN SER 70 -2.340 -11.095 7.146 632 HA SER 70 HA SER 70 0.286 -10.774 8.139 633 1HB SER 70 2HB SER 70 -2.392 -10.044 9.305 634 2HB SER 70 1HB SER 70 -0.840 -9.478 9.929 635 HG SER 70 HG SER 70 -1.476 -7.896 8.574 636 H SER 71 HN SER 71 0.492 -13.246 8.252 637 HA SER 71 HA SER 71 0.994 -15.060 9.512 638 1HB SER 71 2HB SER 71 1.820 -13.350 11.165 639 2HB SER 71 1HB SER 71 0.236 -13.401 11.934 640 HG SER 71 HG SER 71 1.055 -14.989 13.036 641 H GLN 72 HN GLN 72 -1.915 -13.824 9.041 642 HA GLN 72 HA GLN 72 -3.400 -15.654 10.752 643 1HB GLN 72 2HB GLN 72 -5.343 -14.253 9.568 644 2HB GLN 72 1HB GLN 72 -4.503 -13.688 11.003 645 1HG GLN 72 2HG GLN 72 -4.188 -11.810 9.847 646 2HG GLN 72 1HG GLN 72 -2.920 -12.699 8.998 647 1HE2 GLN 72 1HE2 GLN 72 -6.101 -11.350 8.821 648 2HE2 GLN 72 2HE2 GLN 72 -6.336 -11.597 7.115 649 H LYS 73 HN LYS 73 -3.557 -17.612 9.892 650 HA LYS 73 HA LYS 73 -4.100 -17.908 7.069 651 1HB LYS 73 2HB LYS 73 -3.992 -20.348 7.515 652 2HB LYS 73 1HB LYS 73 -2.543 -19.478 7.983 653 1HG LYS 73 2HG LYS 73 -4.667 -20.214 9.971 654 2HG LYS 73 1HG LYS 73 -3.346 -21.301 9.540 655 1HD LYS 73 2HD LYS 73 -3.007 -18.506 10.617 656 2HD LYS 73 1HD LYS 73 -2.891 -19.979 11.582 657 1HE LYS 73 2HE LYS 73 -0.972 -20.707 10.312 658 2HE LYS 73 1HE LYS 73 -1.139 -19.344 9.205 659 1HZ LYS 73 1HZ LYS 73 0.588 -18.873 10.782 660 2HZ LYS 73 2HZ LYS 73 -0.432 -19.217 12.090 661 3HZ LYS 73 3HZ LYS 73 -0.726 -17.858 11.122 662 H LYS 74 HN LYS 74 -6.071 -17.444 6.481 663 HA LYS 74 HA LYS 74 -8.311 -18.455 8.096 664 1HB LYS 74 2HB LYS 74 -8.151 -15.922 6.449 665 2HB LYS 74 1HB LYS 74 -9.634 -16.539 7.160 666 1HG LYS 74 2HG LYS 74 -8.737 -16.250 9.380 667 2HG LYS 74 1HG LYS 74 -7.184 -15.737 8.715 668 1HD LYS 74 2HD LYS 74 -8.206 -13.781 7.732 669 2HD LYS 74 1HD LYS 74 -9.807 -14.320 8.239 670 1HE LYS 74 2HE LYS 74 -7.539 -13.626 10.102 671 2HE LYS 74 1HE LYS 74 -8.865 -12.546 9.685 672 1HZ LYS 74 1HZ LYS 74 -9.637 -13.445 11.613 673 2HZ LYS 74 2HZ LYS 74 -8.880 -14.942 11.374 674 3HZ LYS 74 3HZ LYS 74 -10.287 -14.560 10.513 Start of MODEL 11 1 H HIS -9 H HIS -9 19.962 1.963 -10.721 2 HA HIS -9 HA HIS -9 21.332 1.027 -13.170 3 1HB HIS -9 2HB HIS -9 18.579 0.569 -12.033 4 2HB HIS -9 1HB HIS -9 18.900 0.382 -13.752 5 HD1 HIS -9 1HD HIS -9 18.427 -1.714 -11.069 6 HD2 HIS -9 2HD HIS -9 21.518 -1.376 -13.835 7 HE1 HIS -9 1HE HIS -9 19.600 -3.939 -11.055 8 HE2 HIS -9 2HE HIS -9 21.564 -3.656 -12.618 9 H SER -8 HN SER -8 18.175 2.566 -12.608 10 HA SER -8 HA SER -8 19.058 5.069 -13.707 11 1HB SER -8 2HB SER -8 18.738 3.572 -15.732 12 2HB SER -8 1HB SER -8 17.028 3.504 -15.317 13 HG SER -8 HG SER -8 16.941 5.780 -15.555 14 H SER -7 HN SER -7 16.047 3.160 -13.467 15 HA SER -7 HA SER -7 14.651 5.454 -12.391 16 1HB SER -7 2HB SER -7 13.700 2.627 -12.899 17 2HB SER -7 1HB SER -7 12.672 4.000 -12.492 18 HG SER -7 HG SER -7 13.350 5.001 -14.427 19 H GLY -6 HN GLY -6 16.752 4.592 -10.748 20 1HA GLY -6 2HA GLY -6 15.499 3.279 -8.466 21 2HA GLY -6 1HA GLY -6 17.156 3.875 -8.552 22 H HIS -5 HN HIS -5 15.570 6.288 -9.821 23 HA HIS -5 HA HIS -5 15.504 7.907 -7.466 24 1HB HIS -5 2HB HIS -5 16.165 9.024 -9.451 25 2HB HIS -5 1HB HIS -5 14.812 8.374 -10.366 26 HD1 HIS -5 1HD HIS -5 15.567 10.961 -7.695 27 HD2 HIS -5 2HD HIS -5 12.563 9.935 -10.385 28 HE1 HIS -5 1HE HIS -5 13.891 12.835 -7.592 29 HE2 HIS -5 2HE HIS -5 12.152 12.262 -9.329 30 H ILE -4 HN ILE -4 13.846 8.181 -6.136 31 HA ILE -4 HA ILE -4 11.212 7.248 -6.996 32 HB ILE -4 HB ILE -4 12.037 6.395 -4.845 33 1HG1 ILE -4 2HG1 ILE -4 10.028 6.945 -3.499 34 2HG1 ILE -4 1HG1 ILE -4 9.654 8.240 -4.634 35 1HG2 ILE -4 1HG2 ILE -4 11.932 9.254 -3.915 36 2HG2 ILE -4 2HG2 ILE -4 13.387 8.283 -4.144 37 3HG2 ILE -4 3HG2 ILE -4 12.222 7.843 -2.895 38 1HD1 ILE -4 1HD1 ILE -4 9.779 5.300 -5.263 39 2HD1 ILE -4 2HD1 ILE -4 9.456 6.583 -6.429 40 3HD1 ILE -4 3HD1 ILE -4 8.323 6.283 -5.112 41 H GLU -3 HN GLU -3 9.737 8.610 -7.648 42 HA GLU -3 HA GLU -3 10.354 11.417 -7.760 43 1HB GLU -3 2HB GLU -3 7.831 10.039 -8.683 44 2HB GLU -3 1HB GLU -3 8.467 11.582 -9.233 45 1HG GLU -3 2HG GLU -3 9.153 10.308 -10.968 46 2HG GLU -3 1HG GLU -3 10.534 10.046 -9.903 47 H GLY -2 HN GLY -2 9.800 10.379 -5.092 48 1HA GLY -2 2HA GLY -2 8.697 11.068 -3.194 49 2HA GLY -2 1HA GLY -2 8.066 12.409 -4.143 50 H ARG -1 HN ARG -1 7.628 8.988 -4.727 51 HA ARG -1 HA ARG -1 4.799 9.197 -3.969 52 1HB ARG -1 2HB ARG -1 4.146 7.916 -5.925 53 2HB ARG -1 1HB ARG -1 5.040 9.338 -6.456 54 1HG ARG -1 2HG ARG -1 7.054 7.978 -6.715 55 2HG ARG -1 1HG ARG -1 6.147 6.555 -6.188 56 1HD ARG -1 2HD ARG -1 4.819 6.557 -8.138 57 2HD ARG -1 1HD ARG -1 5.322 8.194 -8.573 58 HE ARG -1 HE ARG -1 7.607 7.195 -8.887 59 1HH1 ARG -1 1HH1 ARG -1 4.709 5.250 -9.313 60 2HH1 ARG -1 2HH1 ARG -1 5.494 4.119 -10.376 61 1HH2 ARG -1 1HH2 ARG -1 8.600 5.761 -10.287 62 2HH2 ARG -1 2HH2 ARG -1 7.721 4.404 -10.938 63 H HIS 0 HN HIS 0 3.857 6.985 -3.592 64 HA HIS 0 HA HIS 0 5.810 4.849 -3.504 65 1HB HIS 0 2HB HIS 0 5.189 4.071 -1.257 66 2HB HIS 0 1HB HIS 0 5.943 5.655 -1.212 67 HD1 HIS 0 1HD HIS 0 4.924 6.350 0.994 68 HD2 HIS 0 2HD HIS 0 2.095 5.234 -1.818 69 HE1 HIS 0 1HE HIS 0 2.708 7.069 1.941 70 HE2 HIS 0 2HE HIS 0 1.004 6.385 0.223 71 H MET 1 HN MET 1 4.983 2.920 -4.035 72 HA MET 1 HA MET 1 2.053 2.724 -4.198 73 1HB MET 1 2HB MET 1 2.964 2.616 -6.424 74 2HB MET 1 1HB MET 1 4.182 1.456 -5.932 75 1HG MET 1 2HG MET 1 2.427 -0.198 -5.518 76 2HG MET 1 1HG MET 1 1.217 0.969 -6.052 77 1HE MET 1 1HE MET 1 1.685 -2.023 -7.212 78 2HE MET 1 2HE MET 1 1.449 -1.747 -8.938 79 3HE MET 1 3HE MET 1 0.375 -0.980 -7.763 80 H LEU 2 HN LEU 2 1.471 1.700 -2.367 81 HA LEU 2 HA LEU 2 3.140 -0.554 -1.519 82 1HB LEU 2 2HB LEU 2 2.655 1.266 0.195 83 2HB LEU 2 1HB LEU 2 0.965 0.772 0.108 84 HG LEU 2 HG LEU 2 2.487 -0.168 2.006 85 1HD1 LEU 2 1HD1 LEU 2 1.199 -2.230 2.066 86 2HD1 LEU 2 2HD1 LEU 2 0.727 -1.998 0.380 87 3HD1 LEU 2 3HD1 LEU 2 0.179 -0.863 1.617 88 1HD2 LEU 2 1HD2 LEU 2 3.168 -2.024 -0.269 89 2HD2 LEU 2 2HD2 LEU 2 3.553 -2.289 1.432 90 3HD2 LEU 2 3HD2 LEU 2 4.287 -0.943 0.560 91 H VAL 3 HN VAL 3 2.455 -2.513 -1.719 92 HA VAL 3 HA VAL 3 -0.133 -2.880 -3.008 93 HB VAL 3 HB VAL 3 2.014 -3.438 -4.165 94 1HG1 VAL 3 1HG1 VAL 3 3.071 -5.584 -3.652 95 2HG1 VAL 3 2HG1 VAL 3 2.084 -5.699 -2.194 96 3HG1 VAL 3 3HG1 VAL 3 3.259 -4.394 -2.363 97 1HG2 VAL 3 1HG2 VAL 3 0.000 -5.638 -3.835 98 2HG2 VAL 3 2HG2 VAL 3 1.168 -5.503 -5.150 99 3HG2 VAL 3 3HG2 VAL 3 -0.088 -4.280 -4.955 100 H LEU 4 HN LEU 4 -1.620 -4.299 -2.287 101 HA LEU 4 HA LEU 4 -1.286 -5.320 0.461 102 1HB LEU 4 2HB LEU 4 -3.289 -3.728 -0.778 103 2HB LEU 4 1HB LEU 4 -4.009 -5.300 -0.482 104 HG LEU 4 HG LEU 4 -2.891 -3.360 1.547 105 1HD1 LEU 4 1HD1 LEU 4 -5.155 -2.942 0.810 106 2HD1 LEU 4 2HD1 LEU 4 -5.150 -3.530 2.473 107 3HD1 LEU 4 3HD1 LEU 4 -5.603 -4.614 1.155 108 1HD2 LEU 4 1HD2 LEU 4 -3.380 -5.031 3.261 109 2HD2 LEU 4 2HD2 LEU 4 -2.132 -5.608 2.155 110 3HD2 LEU 4 3HD2 LEU 4 -3.784 -6.211 2.013 111 H SER 5 HN SER 5 -1.806 -7.478 0.861 112 HA SER 5 HA SER 5 -1.839 -9.117 -1.526 113 1HB SER 5 2HB SER 5 -1.761 -10.054 1.346 114 2HB SER 5 1HB SER 5 -1.275 -10.948 -0.094 115 HG SER 5 HG SER 5 0.279 -9.563 1.426 116 H ARG 6 HN ARG 6 -3.727 -9.463 -2.432 117 HA ARG 6 HA ARG 6 -5.946 -10.493 -0.889 118 1HB ARG 6 2HB ARG 6 -6.066 -7.892 -2.430 119 2HB ARG 6 1HB ARG 6 -7.507 -8.858 -2.130 120 1HG ARG 6 2HG ARG 6 -5.711 -7.770 0.020 121 2HG ARG 6 1HG ARG 6 -7.164 -6.968 -0.571 122 1HD ARG 6 2HD ARG 6 -7.332 -9.781 0.400 123 2HD ARG 6 1HD ARG 6 -7.252 -8.464 1.569 124 HE ARG 6 HE ARG 6 -9.296 -8.396 -0.545 125 1HH1 ARG 6 1HH1 ARG 6 -8.474 -8.701 2.860 126 2HH1 ARG 6 2HH1 ARG 6 -10.101 -8.409 3.392 127 1HH2 ARG 6 1HH2 ARG 6 -11.401 -7.986 0.162 128 2HH2 ARG 6 2HH2 ARG 6 -11.770 -8.001 1.867 129 H LYS 7 HN LYS 7 -6.560 -12.209 -2.022 130 HA LYS 7 HA LYS 7 -5.430 -12.468 -4.703 131 1HB LYS 7 2HB LYS 7 -6.772 -14.748 -3.322 132 2HB LYS 7 1HB LYS 7 -5.307 -14.735 -4.295 133 1HG LYS 7 2HG LYS 7 -5.576 -13.768 -1.453 134 2HG LYS 7 1HG LYS 7 -4.761 -15.240 -1.993 135 1HD LYS 7 2HD LYS 7 -2.956 -14.094 -2.789 136 2HD LYS 7 1HD LYS 7 -3.886 -12.619 -3.087 137 1HE LYS 7 2HE LYS 7 -2.464 -12.217 -1.213 138 2HE LYS 7 1HE LYS 7 -4.112 -12.344 -0.630 139 1HZ LYS 7 1HZ LYS 7 -2.208 -14.616 -0.566 140 2HZ LYS 7 2HZ LYS 7 -3.715 -14.505 0.206 141 3HZ LYS 7 3HZ LYS 7 -2.420 -13.546 0.731 142 H ILE 8 HN ILE 8 -7.695 -10.856 -4.165 143 HA ILE 8 HA ILE 8 -9.943 -12.367 -5.253 144 HB ILE 8 HB ILE 8 -10.178 -9.790 -3.727 145 1HG1 ILE 8 2HG1 ILE 8 -9.976 -12.621 -2.646 146 2HG1 ILE 8 1HG1 ILE 8 -8.898 -11.276 -2.285 147 1HG2 ILE 8 1HG2 ILE 8 -12.065 -12.111 -4.147 148 2HG2 ILE 8 2HG2 ILE 8 -12.140 -10.551 -4.964 149 3HG2 ILE 8 3HG2 ILE 8 -12.417 -10.648 -3.227 150 1HD1 ILE 8 1HD1 ILE 8 -10.722 -10.146 -1.115 151 2HD1 ILE 8 2HD1 ILE 8 -10.392 -11.737 -0.431 152 3HD1 ILE 8 3HD1 ILE 8 -11.793 -11.499 -1.477 153 H ASN 9 HN ASN 9 -7.743 -9.862 -5.830 154 HA ASN 9 HA ASN 9 -7.535 -8.152 -7.321 155 1HB ASN 9 2HB ASN 9 -9.416 -9.639 -9.134 156 2HB ASN 9 1HB ASN 9 -8.050 -8.626 -9.562 157 1HD2 ASN 9 1HD2 ASN 9 -8.625 -11.307 -10.412 158 2HD2 ASN 9 2HD2 ASN 9 -7.264 -12.270 -9.942 159 H GLU 10 HN GLU 10 -9.618 -7.976 -5.406 160 HA GLU 10 HA GLU 10 -11.958 -6.884 -6.603 161 1HB GLU 10 2HB GLU 10 -12.476 -6.173 -4.280 162 2HB GLU 10 1HB GLU 10 -12.089 -7.882 -4.413 163 1HG GLU 10 2HG GLU 10 -9.782 -7.370 -3.670 164 2HG GLU 10 1HG GLU 10 -10.276 -5.695 -3.419 165 H ALA 11 HN ALA 11 -12.619 -4.613 -5.807 166 HA ALA 11 HA ALA 11 -10.406 -2.813 -6.525 167 1HB ALA 11 1HB ALA 11 -12.223 -2.822 -8.155 168 2HB ALA 11 2HB ALA 11 -12.136 -1.265 -7.330 169 3HB ALA 11 3HB ALA 11 -13.383 -2.430 -6.886 170 H ILE 12 HN ILE 12 -9.844 -1.247 -5.095 171 HA ILE 12 HA ILE 12 -11.307 -1.343 -2.553 172 HB ILE 12 HB ILE 12 -8.448 -0.476 -2.999 173 1HG1 ILE 12 2HG1 ILE 12 -8.697 -2.851 -3.535 174 2HG1 ILE 12 1HG1 ILE 12 -7.828 -2.652 -2.018 175 1HG2 ILE 12 1HG2 ILE 12 -8.256 -0.708 -0.570 176 2HG2 ILE 12 2HG2 ILE 12 -9.964 -1.128 -0.474 177 3HG2 ILE 12 3HG2 ILE 12 -9.482 0.482 -1.009 178 1HD1 ILE 12 1HD1 ILE 12 -9.826 -3.203 -0.767 179 2HD1 ILE 12 2HD1 ILE 12 -9.441 -4.482 -1.921 180 3HD1 ILE 12 3HD1 ILE 12 -10.745 -3.346 -2.266 181 H GLN 13 HN GLN 13 -12.659 0.282 -2.410 182 HA GLN 13 HA GLN 13 -11.614 3.004 -2.839 183 1HB GLN 13 2HB GLN 13 -13.523 2.370 -4.345 184 2HB GLN 13 1HB GLN 13 -14.510 2.121 -2.916 185 1HG GLN 13 2HG GLN 13 -13.189 4.760 -3.401 186 2HG GLN 13 1HG GLN 13 -14.698 4.352 -4.217 187 1HE2 GLN 13 1HE2 GLN 13 -13.150 5.330 -1.370 188 2HE2 GLN 13 2HE2 GLN 13 -14.547 5.537 -0.380 189 H ILE 14 HN ILE 14 -10.873 3.463 -0.865 190 HA ILE 14 HA ILE 14 -12.774 3.129 1.338 191 HB ILE 14 HB ILE 14 -10.836 3.530 2.877 192 1HG1 ILE 14 2HG1 ILE 14 -9.381 4.430 0.906 193 2HG1 ILE 14 1HG1 ILE 14 -8.623 3.494 2.186 194 1HG2 ILE 14 1HG2 ILE 14 -10.751 1.078 1.128 195 2HG2 ILE 14 2HG2 ILE 14 -11.770 1.328 2.548 196 3HG2 ILE 14 3HG2 ILE 14 -10.019 1.222 2.727 197 1HD1 ILE 14 1HD1 ILE 14 -9.417 2.473 -0.531 198 2HD1 ILE 14 2HD1 ILE 14 -8.689 1.511 0.754 199 3HD1 ILE 14 3HD1 ILE 14 -7.783 2.832 0.021 200 H GLY 15 HN GLY 15 -13.926 4.808 1.600 201 1HA GLY 15 2HA GLY 15 -14.446 6.868 2.375 202 2HA GLY 15 1HA GLY 15 -12.740 7.277 2.430 203 H ALA 16 HN ALA 16 -11.755 7.600 0.212 204 HA ALA 16 HA ALA 16 -13.192 8.386 -2.005 205 1HB ALA 16 1HB ALA 16 -13.355 10.811 -1.808 206 2HB ALA 16 2HB ALA 16 -12.730 10.734 -0.160 207 3HB ALA 16 3HB ALA 16 -14.301 10.028 -0.541 208 H ASP 17 HN ASP 17 -10.501 8.890 0.138 209 HA ASP 17 HA ASP 17 -8.861 10.275 -1.727 210 1HB ASP 17 2HB ASP 17 -8.497 10.444 0.717 211 2HB ASP 17 1HB ASP 17 -8.025 8.747 0.754 212 H ILE 18 HN ILE 18 -9.409 6.880 -0.935 213 HA ILE 18 HA ILE 18 -7.492 6.256 -3.090 214 HB ILE 18 HB ILE 18 -7.921 4.594 -0.604 215 1HG1 ILE 18 2HG1 ILE 18 -6.588 6.658 -0.229 216 2HG1 ILE 18 1HG1 ILE 18 -5.641 5.192 -0.014 217 1HG2 ILE 18 1HG2 ILE 18 -6.127 3.186 -1.487 218 2HG2 ILE 18 2HG2 ILE 18 -6.056 4.180 -2.942 219 3HG2 ILE 18 3HG2 ILE 18 -7.502 3.233 -2.592 220 1HD1 ILE 18 1HD1 ILE 18 -5.616 6.983 -2.430 221 2HD1 ILE 18 2HD1 ILE 18 -4.679 5.501 -2.244 222 3HD1 ILE 18 3HD1 ILE 18 -4.368 6.880 -1.188 223 H GLU 19 HN GLU 19 -8.732 5.753 -4.744 224 HA GLU 19 HA GLU 19 -10.342 3.313 -4.448 225 1HB GLU 19 2HB GLU 19 -11.906 5.163 -4.838 226 2HB GLU 19 1HB GLU 19 -10.969 5.678 -6.236 227 1HG GLU 19 2HG GLU 19 -11.448 3.270 -7.100 228 2HG GLU 19 1HG GLU 19 -12.760 3.314 -5.924 229 H VAL 20 HN VAL 20 -9.209 1.749 -5.486 230 HA VAL 20 HA VAL 20 -8.539 1.869 -8.201 231 HB VAL 20 HB VAL 20 -6.874 3.545 -7.432 232 1HG1 VAL 20 1HG1 VAL 20 -6.393 2.649 -5.220 233 2HG1 VAL 20 2HG1 VAL 20 -4.914 2.842 -6.159 234 3HG1 VAL 20 3HG1 VAL 20 -5.619 1.240 -5.949 235 1HG2 VAL 20 1HG2 VAL 20 -6.466 2.250 -9.458 236 2HG2 VAL 20 2HG2 VAL 20 -5.652 1.006 -8.506 237 3HG2 VAL 20 3HG2 VAL 20 -4.959 2.625 -8.623 238 H LYS 21 HN LYS 21 -7.897 -0.103 -8.988 239 HA LYS 21 HA LYS 21 -6.586 -1.938 -7.125 240 1HB LYS 21 2HB LYS 21 -7.674 -3.792 -8.663 241 2HB LYS 21 1HB LYS 21 -8.487 -3.180 -7.237 242 1HG LYS 21 2HG LYS 21 -10.133 -3.302 -8.875 243 2HG LYS 21 1HG LYS 21 -9.710 -1.589 -8.796 244 1HD LYS 21 2HD LYS 21 -8.282 -1.888 -10.786 245 2HD LYS 21 1HD LYS 21 -8.755 -3.586 -10.854 246 1HE LYS 21 2HE LYS 21 -10.087 -2.376 -12.430 247 2HE LYS 21 1HE LYS 21 -11.119 -2.854 -11.084 248 1HZ LYS 21 1HZ LYS 21 -10.910 -0.616 -10.180 249 2HZ LYS 21 2HZ LYS 21 -11.538 -0.571 -11.751 250 3HZ LYS 21 3HZ LYS 21 -9.917 -0.167 -11.478 251 H VAL 22 HN VAL 22 -4.604 -1.511 -7.797 252 HA VAL 22 HA VAL 22 -4.017 -2.211 -10.590 253 HB VAL 22 HB VAL 22 -1.700 -1.301 -10.135 254 1HG1 VAL 22 1HG1 VAL 22 -3.368 -0.064 -11.409 255 2HG1 VAL 22 2HG1 VAL 22 -2.364 1.023 -10.451 256 3HG1 VAL 22 3HG1 VAL 22 -4.001 0.635 -9.918 257 1HG2 VAL 22 1HG2 VAL 22 -3.051 -0.157 -7.692 258 2HG2 VAL 22 2HG2 VAL 22 -1.461 0.307 -8.300 259 3HG2 VAL 22 3HG2 VAL 22 -1.733 -1.332 -7.705 260 H ILE 23 HN ILE 23 -3.565 -4.229 -10.855 261 HA ILE 23 HA ILE 23 -2.904 -5.836 -8.529 262 HB ILE 23 HB ILE 23 -3.645 -6.632 -11.349 263 1HG1 ILE 23 2HG1 ILE 23 -5.314 -6.865 -8.844 264 2HG1 ILE 23 1HG1 ILE 23 -5.373 -5.430 -9.865 265 1HG2 ILE 23 1HG2 ILE 23 -3.339 -8.315 -8.862 266 2HG2 ILE 23 2HG2 ILE 23 -2.302 -8.360 -10.290 267 3HG2 ILE 23 3HG2 ILE 23 -3.984 -8.880 -10.403 268 1HD1 ILE 23 1HD1 ILE 23 -6.122 -6.791 -11.737 269 2HD1 ILE 23 2HD1 ILE 23 -7.193 -6.983 -10.349 270 3HD1 ILE 23 3HD1 ILE 23 -6.020 -8.240 -10.739 271 H ALA 24 HN ALA 24 -1.026 -6.790 -8.167 272 HA ALA 24 HA ALA 24 1.044 -6.610 -10.250 273 1HB ALA 24 1HB ALA 24 2.690 -6.092 -8.533 274 2HB ALA 24 2HB ALA 24 1.438 -6.146 -7.292 275 3HB ALA 24 3HB ALA 24 1.401 -4.890 -8.527 276 H VAL 25 HN VAL 25 2.811 -8.187 -9.939 277 HA VAL 25 HA VAL 25 1.607 -10.723 -9.180 278 HB VAL 25 HB VAL 25 2.622 -10.632 -11.375 279 1HG1 VAL 25 1HG1 VAL 25 5.212 -10.008 -9.964 280 2HG1 VAL 25 2HG1 VAL 25 4.298 -8.924 -11.013 281 3HG1 VAL 25 3HG1 VAL 25 5.041 -10.376 -11.683 282 1HG2 VAL 25 1HG2 VAL 25 4.171 -12.368 -9.459 283 2HG2 VAL 25 2HG2 VAL 25 4.135 -12.574 -11.210 284 3HG2 VAL 25 3HG2 VAL 25 2.658 -12.771 -10.269 285 H GLU 26 HN GLU 26 2.017 -11.731 -7.397 286 HA GLU 26 HA GLU 26 4.298 -10.920 -5.724 287 1HB GLU 26 2HB GLU 26 1.979 -10.654 -4.827 288 2HB GLU 26 1HB GLU 26 1.743 -12.384 -5.020 289 1HG GLU 26 2HG GLU 26 2.175 -11.913 -2.731 290 2HG GLU 26 1HG GLU 26 3.558 -12.778 -3.401 291 H GLY 27 HN GLY 27 5.033 -12.493 -7.764 292 1HA GLY 27 2HA GLY 27 6.136 -14.461 -8.240 293 2HA GLY 27 1HA GLY 27 5.807 -14.988 -6.593 294 H ASP 28 HN ASP 28 3.758 -15.880 -6.104 295 HA ASP 28 HA ASP 28 2.112 -16.672 -8.399 296 1HB ASP 28 2HB ASP 28 3.261 -18.521 -6.312 297 2HB ASP 28 1HB ASP 28 1.817 -18.941 -7.228 298 H GLN 29 HN GLN 29 2.093 -14.781 -6.098 299 HA GLN 29 HA GLN 29 -0.579 -15.463 -5.069 300 1HB GLN 29 2HB GLN 29 1.018 -15.271 -3.258 301 2HB GLN 29 1HB GLN 29 1.641 -13.770 -3.920 302 1HG GLN 29 2HG GLN 29 -0.143 -12.529 -3.185 303 2HG GLN 29 1HG GLN 29 -1.212 -13.939 -3.043 304 1HE2 GLN 29 1HE2 GLN 29 1.295 -12.068 -1.561 305 2HE2 GLN 29 2HE2 GLN 29 1.206 -12.809 -0.002 306 H VAL 30 HN VAL 30 -2.166 -13.777 -5.227 307 HA VAL 30 HA VAL 30 -1.338 -11.693 -7.115 308 HB VAL 30 HB VAL 30 -4.237 -12.385 -6.714 309 1HG1 VAL 30 1HG1 VAL 30 -4.475 -11.596 -8.974 310 2HG1 VAL 30 2HG1 VAL 30 -2.730 -11.447 -9.150 311 3HG1 VAL 30 3HG1 VAL 30 -3.596 -10.398 -8.025 312 1HG2 VAL 30 1HG2 VAL 30 -4.146 -14.055 -8.476 313 2HG2 VAL 30 2HG2 VAL 30 -3.110 -14.532 -7.129 314 3HG2 VAL 30 3HG2 VAL 30 -2.398 -13.863 -8.599 315 H LYS 31 HN LYS 31 -1.346 -9.671 -6.455 316 HA LYS 31 HA LYS 31 -3.093 -8.965 -4.240 317 1HB LYS 31 2HB LYS 31 -1.341 -8.021 -2.951 318 2HB LYS 31 1HB LYS 31 -0.845 -9.638 -3.406 319 1HG LYS 31 2HG LYS 31 0.472 -8.573 -5.267 320 2HG LYS 31 1HG LYS 31 0.126 -7.032 -4.496 321 1HD LYS 31 2HD LYS 31 1.665 -9.355 -3.372 322 2HD LYS 31 1HD LYS 31 2.237 -7.711 -3.672 323 1HE LYS 31 2HE LYS 31 0.722 -6.871 -1.943 324 2HE LYS 31 1HE LYS 31 0.139 -8.508 -1.655 325 1HZ LYS 31 1HZ LYS 31 2.654 -8.977 -1.253 326 2HZ LYS 31 2HZ LYS 31 1.694 -8.308 -0.028 327 3HZ LYS 31 3HZ LYS 31 2.716 -7.308 -0.935 328 H LEU 32 HN LEU 32 -3.738 -6.832 -4.155 329 HA LEU 32 HA LEU 32 -3.281 -5.268 -6.599 330 1HB LEU 32 2HB LEU 32 -5.295 -4.075 -6.028 331 2HB LEU 32 1HB LEU 32 -5.609 -5.793 -5.952 332 HG LEU 32 HG LEU 32 -4.956 -5.302 -3.366 333 1HD1 LEU 32 1HD1 LEU 32 -6.135 -3.267 -2.677 334 2HD1 LEU 32 2HD1 LEU 32 -6.370 -2.838 -4.370 335 3HD1 LEU 32 3HD1 LEU 32 -4.743 -2.912 -3.700 336 1HD2 LEU 32 1HD2 LEU 32 -6.896 -6.549 -4.168 337 2HD2 LEU 32 2HD2 LEU 32 -7.689 -5.041 -4.621 338 3HD2 LEU 32 3HD2 LEU 32 -7.362 -5.387 -2.924 339 H GLY 33 HN GLY 33 -3.181 -2.799 -6.187 340 1HA GLY 33 2HA GLY 33 -1.685 -2.349 -3.692 341 2HA GLY 33 1HA GLY 33 -0.957 -1.942 -5.234 342 H ILE 34 HN ILE 34 -1.630 -0.264 -2.895 343 HA ILE 34 HA ILE 34 -3.241 1.696 -4.381 344 HB ILE 34 HB ILE 34 -3.649 2.912 -2.367 345 1HG1 ILE 34 2HG1 ILE 34 -2.266 0.897 -0.632 346 2HG1 ILE 34 1HG1 ILE 34 -1.308 2.177 -1.393 347 1HG2 ILE 34 1HG2 ILE 34 -4.911 1.252 -1.070 348 2HG2 ILE 34 2HG2 ILE 34 -4.085 -0.034 -1.949 349 3HG2 ILE 34 3HG2 ILE 34 -5.147 1.081 -2.808 350 1HD1 ILE 34 1HD1 ILE 34 -2.757 3.845 -0.345 351 2HD1 ILE 34 2HD1 ILE 34 -1.980 2.799 0.844 352 3HD1 ILE 34 3HD1 ILE 34 -3.676 2.552 0.428 353 H ASP 35 HN ASP 35 -2.200 3.313 -5.313 354 HA ASP 35 HA ASP 35 0.529 3.884 -4.403 355 1HB ASP 35 2HB ASP 35 0.924 3.056 -6.516 356 2HB ASP 35 1HB ASP 35 -0.616 3.614 -7.145 357 H ALA 36 HN ALA 36 0.999 5.869 -3.801 358 HA ALA 36 HA ALA 36 -0.806 8.065 -4.495 359 1HB ALA 36 1HB ALA 36 -0.952 8.801 -2.180 360 2HB ALA 36 2HB ALA 36 0.003 7.411 -1.663 361 3HB ALA 36 3HB ALA 36 -1.603 7.171 -2.353 362 HA PRO 37 HA PRO 37 3.022 10.229 -4.949 363 1HB PRO 37 2HB PRO 37 2.144 12.778 -4.854 364 2HB PRO 37 1HB PRO 37 1.782 11.709 -6.213 365 1HG PRO 37 2HG PRO 37 0.068 12.441 -3.873 366 2HG PRO 37 1HG PRO 37 -0.370 12.328 -5.588 367 1HD PRO 37 2HD PRO 37 -0.909 10.365 -3.789 368 2HD PRO 37 1HD PRO 37 -0.601 10.043 -5.507 369 H LYS 38 HN LYS 38 2.557 9.305 -2.311 370 HA LYS 38 HA LYS 38 3.282 9.542 -0.187 371 1HB LYS 38 2HB LYS 38 5.146 11.209 -1.780 372 2HB LYS 38 1HB LYS 38 5.251 11.293 -0.025 373 1HG LYS 38 2HG LYS 38 5.347 8.737 -1.599 374 2HG LYS 38 1HG LYS 38 6.772 9.632 -1.068 375 1HD LYS 38 2HD LYS 38 4.709 8.959 0.970 376 2HD LYS 38 1HD LYS 38 5.730 7.648 0.367 377 1HE LYS 38 2HE LYS 38 6.829 8.494 2.276 378 2HE LYS 38 1HE LYS 38 7.718 9.105 0.883 379 1HZ LYS 38 1HZ LYS 38 6.643 11.231 1.131 380 2HZ LYS 38 2HZ LYS 38 7.372 10.796 2.598 381 3HZ LYS 38 3HZ LYS 38 5.689 10.652 2.413 382 H HIS 39 HN HIS 39 1.092 11.327 -1.086 383 HA HIS 39 HA HIS 39 1.139 13.642 0.548 384 1HB HIS 39 2HB HIS 39 -1.251 13.687 0.246 385 2HB HIS 39 1HB HIS 39 -0.572 13.082 -1.263 386 HD1 HIS 39 1HD HIS 39 -0.180 10.209 0.467 387 HD2 HIS 39 2HD HIS 39 -3.648 12.231 -0.587 388 HE1 HIS 39 1HE HIS 39 -1.987 8.520 0.636 389 HE2 HIS 39 2HE HIS 39 -4.133 9.776 0.113 390 H ILE 40 HN ILE 40 -0.777 13.570 2.383 391 HA ILE 40 HA ILE 40 -0.071 11.447 4.245 392 HB ILE 40 HB ILE 40 -1.307 12.659 5.932 393 1HG1 ILE 40 2HG1 ILE 40 -2.986 13.513 4.123 394 2HG1 ILE 40 1HG1 ILE 40 -2.700 14.483 5.569 395 1HG2 ILE 40 1HG2 ILE 40 0.506 14.485 4.362 396 2HG2 ILE 40 2HG2 ILE 40 0.987 13.331 5.605 397 3HG2 ILE 40 3HG2 ILE 40 0.013 14.739 6.036 398 1HD1 ILE 40 1HD1 ILE 40 -1.570 14.942 2.815 399 2HD1 ILE 40 2HD1 ILE 40 -1.115 15.866 4.244 400 3HD1 ILE 40 3HD1 ILE 40 -2.776 15.918 3.654 401 H ASP 41 HN ASP 41 -1.672 9.999 5.004 402 HA ASP 41 HA ASP 41 -3.810 9.681 3.073 403 1HB ASP 41 2HB ASP 41 -4.120 7.453 4.309 404 2HB ASP 41 1HB ASP 41 -2.656 7.700 3.354 405 H ILE 42 HN ILE 42 -5.776 10.269 3.383 406 HA ILE 42 HA ILE 42 -6.507 11.493 5.906 407 HB ILE 42 HB ILE 42 -8.289 11.283 3.493 408 1HG1 ILE 42 2HG1 ILE 42 -6.108 12.061 2.699 409 2HG1 ILE 42 1HG1 ILE 42 -7.302 13.352 2.632 410 1HG2 ILE 42 1HG2 ILE 42 -9.111 13.458 4.309 411 2HG2 ILE 42 2HG2 ILE 42 -7.993 13.353 5.670 412 3HG2 ILE 42 3HG2 ILE 42 -9.298 12.176 5.506 413 1HD1 ILE 42 1HD1 ILE 42 -6.385 14.280 4.711 414 2HD1 ILE 42 2HD1 ILE 42 -5.183 14.197 3.423 415 3HD1 ILE 42 3HD1 ILE 42 -5.166 13.007 4.725 416 H HIS 43 HN HIS 43 -8.121 10.798 7.268 417 HA HIS 43 HA HIS 43 -9.581 8.367 6.485 418 1HB HIS 43 2HB HIS 43 -8.602 8.713 9.309 419 2HB HIS 43 1HB HIS 43 -9.139 7.245 8.487 420 HD1 HIS 43 1HD HIS 43 -6.164 8.697 9.712 421 HD2 HIS 43 2HD HIS 43 -7.155 6.723 6.187 422 HE1 HIS 43 1HE HIS 43 -3.992 7.907 8.730 423 HE2 HIS 43 2HE HIS 43 -4.585 6.900 6.531 424 H ARG 44 HN ARG 44 -11.436 7.986 8.034 425 HA ARG 44 HA ARG 44 -12.520 10.542 8.992 426 1HB ARG 44 2HB ARG 44 -14.772 9.811 8.135 427 2HB ARG 44 1HB ARG 44 -13.607 10.247 6.893 428 1HG ARG 44 2HG ARG 44 -13.149 7.868 6.507 429 2HG ARG 44 1HG ARG 44 -14.352 7.451 7.726 430 1HD ARG 44 2HD ARG 44 -15.271 7.282 5.468 431 2HD ARG 44 1HD ARG 44 -16.087 8.530 6.407 432 HE ARG 44 HE ARG 44 -14.029 9.769 4.986 433 1HH1 ARG 44 1HH1 ARG 44 -16.995 8.040 4.303 434 2HH1 ARG 44 2HH1 ARG 44 -17.320 8.913 2.834 435 1HH2 ARG 44 1HH2 ARG 44 -14.457 10.941 3.081 436 2HH2 ARG 44 2HH2 ARG 44 -15.878 10.582 2.144 437 H LYS 45 HN LYS 45 -12.662 10.323 11.094 438 HA LYS 45 HA LYS 45 -13.071 9.516 13.173 439 1HB LYS 45 2HB LYS 45 -15.298 8.929 12.489 440 2HB LYS 45 1HB LYS 45 -14.725 7.503 11.636 441 1HG LYS 45 2HG LYS 45 -14.017 6.563 13.826 442 2HG LYS 45 1HG LYS 45 -14.779 7.949 14.608 443 1HD LYS 45 2HD LYS 45 -16.931 7.324 13.792 444 2HD LYS 45 1HD LYS 45 -16.237 6.081 12.749 445 1HE LYS 45 2HE LYS 45 -16.215 6.094 15.766 446 2HE LYS 45 1HE LYS 45 -17.234 5.088 14.738 447 1HZ LYS 45 1HZ LYS 45 -15.156 4.125 13.808 448 2HZ LYS 45 2HZ LYS 45 -15.387 3.792 15.453 449 3HZ LYS 45 3HZ LYS 45 -14.276 4.980 14.982 450 H GLU 46 HN GLU 46 -12.866 6.570 11.223 451 HA GLU 46 HA GLU 46 -10.532 5.730 12.814 452 1HB GLU 46 2HB GLU 46 -11.221 3.400 12.139 453 2HB GLU 46 1HB GLU 46 -12.366 4.220 13.190 454 1HG GLU 46 2HG GLU 46 -13.553 4.889 11.004 455 2HG GLU 46 1HG GLU 46 -12.599 3.596 10.277 456 H ILE 47 HN ILE 47 -8.849 4.546 11.580 457 HA ILE 47 HA ILE 47 -8.398 5.885 9.099 458 HB ILE 47 HB ILE 47 -6.326 4.725 8.889 459 1HG1 ILE 47 2HG1 ILE 47 -7.179 3.047 11.262 460 2HG1 ILE 47 1HG1 ILE 47 -7.033 2.483 9.602 461 1HG2 ILE 47 1HG2 ILE 47 -5.234 5.393 10.978 462 2HG2 ILE 47 2HG2 ILE 47 -6.814 5.529 11.752 463 3HG2 ILE 47 3HG2 ILE 47 -6.390 6.604 10.417 464 1HD1 ILE 47 1HD1 ILE 47 -5.130 1.795 10.932 465 2HD1 ILE 47 2HD1 ILE 47 -4.784 3.476 11.336 466 3HD1 ILE 47 3HD1 ILE 47 -4.634 2.921 9.670 467 H TYR 48 HN TYR 48 -9.237 5.358 7.249 468 HA TYR 48 HA TYR 48 -10.269 2.689 6.916 469 1HB TYR 48 2HB TYR 48 -11.530 3.558 5.047 470 2HB TYR 48 1HB TYR 48 -11.713 4.583 6.460 471 HD1 TYR 48 1HD TYR 48 -8.911 4.624 4.075 472 HD2 TYR 48 2HD TYR 48 -12.411 6.606 5.435 473 HE1 TYR 48 1HE TYR 48 -8.272 6.610 2.782 474 HE2 TYR 48 2HE TYR 48 -11.777 8.603 4.152 475 HH TYR 48 HH TYR 48 -9.338 8.607 1.797 476 H LEU 49 HN LEU 49 -7.422 4.222 6.253 477 HA LEU 49 HA LEU 49 -6.895 2.827 3.749 478 1HB LEU 49 2HB LEU 49 -5.636 5.043 5.220 479 2HB LEU 49 1HB LEU 49 -4.520 3.964 4.406 480 HG LEU 49 HG LEU 49 -6.616 4.624 2.582 481 1HD1 LEU 49 1HD1 LEU 49 -6.981 6.589 4.002 482 2HD1 LEU 49 2HD1 LEU 49 -6.328 7.025 2.421 483 3HD1 LEU 49 3HD1 LEU 49 -5.276 7.011 3.836 484 1HD2 LEU 49 1HD2 LEU 49 -4.740 5.493 1.275 485 2HD2 LEU 49 2HD2 LEU 49 -4.355 3.927 1.987 486 3HD2 LEU 49 3HD2 LEU 49 -3.705 5.404 2.700 487 H THR 50 HN THR 50 -4.678 3.279 6.428 488 HA THR 50 HA THR 50 -3.267 1.977 7.552 489 HB THR 50 HB THR 50 -5.477 0.635 8.005 490 HG1 THR 50 1HG THR 50 -2.959 -0.651 8.392 491 1HG2 THR 50 1HG2 THR 50 -5.441 -0.703 5.937 492 2HG2 THR 50 2HG2 THR 50 -5.314 -1.723 7.372 493 3HG2 THR 50 3HG2 THR 50 -3.878 -1.376 6.406 494 H ILE 51 HN ILE 51 -3.952 1.207 4.278 495 HA ILE 51 HA ILE 51 -1.984 -0.795 3.883 496 HB ILE 51 HB ILE 51 -2.796 1.060 1.656 497 1HG1 ILE 51 2HG1 ILE 51 -4.516 -1.169 2.776 498 2HG1 ILE 51 1HG1 ILE 51 -4.800 0.538 3.070 499 1HG2 ILE 51 1HG2 ILE 51 -2.768 -1.009 0.364 500 2HG2 ILE 51 2HG2 ILE 51 -2.382 -1.922 1.824 501 3HG2 ILE 51 3HG2 ILE 51 -1.230 -0.746 1.187 502 1HD1 ILE 51 1HD1 ILE 51 -4.875 -0.840 0.402 503 2HD1 ILE 51 2HD1 ILE 51 -5.139 0.884 0.672 504 3HD1 ILE 51 3HD1 ILE 51 -6.264 -0.297 1.341 505 H GLN 52 HN GLN 52 -1.945 2.623 2.812 506 HA GLN 52 HA GLN 52 0.914 2.529 2.572 507 1HB GLN 52 2HB GLN 52 0.835 4.671 1.702 508 2HB GLN 52 1HB GLN 52 -0.742 4.044 1.237 509 1HG GLN 52 2HG GLN 52 -1.864 5.339 2.795 510 2HG GLN 52 1HG GLN 52 -0.429 5.568 3.790 511 1HE2 GLN 52 1HE2 GLN 52 -0.500 7.771 3.859 512 2HE2 GLN 52 2HE2 GLN 52 -0.242 8.772 2.466 513 H GLU 53 HN GLU 53 -1.382 3.300 5.026 514 HA GLU 53 HA GLU 53 0.167 5.110 6.546 515 1HB GLU 53 2HB GLU 53 -2.366 4.587 6.650 516 2HB GLU 53 1HB GLU 53 -1.911 3.228 7.674 517 1HG GLU 53 2HG GLU 53 -1.112 6.047 8.321 518 2HG GLU 53 1HG GLU 53 -2.671 5.381 8.797 519 H GLU 54 HN GLU 54 -0.293 1.606 6.678 520 HA GLU 54 HA GLU 54 1.514 1.035 8.750 521 1HB GLU 54 2HB GLU 54 0.152 -0.437 6.577 522 2HB GLU 54 1HB GLU 54 1.660 -1.170 7.154 523 1HG GLU 54 2HG GLU 54 0.808 -1.291 9.391 524 2HG GLU 54 1HG GLU 54 -0.607 -0.333 8.962 525 H ASN 55 HN ASN 55 1.956 1.713 5.377 526 HA ASN 55 HA ASN 55 4.769 0.888 5.550 527 1HB ASN 55 2HB ASN 55 2.827 1.086 3.271 528 2HB ASN 55 1HB ASN 55 4.559 0.969 2.972 529 1HD2 ASN 55 1HD2 ASN 55 1.743 -0.660 4.260 530 2HD2 ASN 55 2HD2 ASN 55 2.432 -2.245 4.305 531 H ASN 56 HN ASN 56 3.576 2.983 3.046 532 HA ASN 56 HA ASN 56 3.809 5.182 2.540 533 1HB ASN 56 2HB ASN 56 2.884 5.447 4.904 534 2HB ASN 56 1HB ASN 56 4.555 5.670 5.422 535 1HD2 ASN 56 1HD2 ASN 56 2.290 7.529 5.516 536 2HD2 ASN 56 2HD2 ASN 56 2.806 8.935 4.651 537 H ARG 57 HN ARG 57 6.154 4.987 5.130 538 HA ARG 57 HA ARG 57 8.233 6.107 3.434 539 1HB ARG 57 2HB ARG 57 9.485 6.182 5.601 540 2HB ARG 57 1HB ARG 57 7.948 7.042 5.649 541 1HG ARG 57 2HG ARG 57 7.612 4.284 6.389 542 2HG ARG 57 1HG ARG 57 8.827 5.067 7.404 543 1HD ARG 57 2HD ARG 57 6.059 6.151 6.890 544 2HD ARG 57 1HD ARG 57 6.497 5.178 8.291 545 HE ARG 57 HE ARG 57 8.182 7.467 8.021 546 1HH1 ARG 57 1HH1 ARG 57 5.033 6.383 9.125 547 2HH1 ARG 57 2HH1 ARG 57 4.837 7.699 10.252 548 1HH2 ARG 57 1HH2 ARG 57 7.920 9.195 9.520 549 2HH2 ARG 57 2HH2 ARG 57 6.469 9.275 10.473 550 H ALA 58 HN ALA 58 7.416 3.165 5.166 551 HA ALA 58 HA ALA 58 9.709 1.827 3.916 552 1HB ALA 58 1HB ALA 58 8.659 1.333 6.700 553 2HB ALA 58 2HB ALA 58 10.179 2.128 6.288 554 3HB ALA 58 3HB ALA 58 9.944 0.421 5.907 555 H ALA 59 HN ALA 59 8.281 1.238 2.256 556 HA ALA 59 HA ALA 59 6.157 -0.669 2.922 557 1HB ALA 59 1HB ALA 59 5.672 1.073 1.267 558 2HB ALA 59 2HB ALA 59 5.600 -0.530 0.534 559 3HB ALA 59 3HB ALA 59 7.003 0.502 0.260 560 H ALA 60 HN ALA 60 6.621 -2.797 2.970 561 HA ALA 60 HA ALA 60 8.661 -3.874 1.159 562 1HB ALA 60 1HB ALA 60 9.795 -5.064 2.958 563 2HB ALA 60 2HB ALA 60 8.724 -4.311 4.142 564 3HB ALA 60 3HB ALA 60 9.854 -3.320 3.216 565 H LEU 61 HN LEU 61 5.621 -4.068 1.832 566 HA LEU 61 HA LEU 61 5.366 -6.845 2.572 567 1HB LEU 61 2HB LEU 61 3.276 -4.832 1.775 568 2HB LEU 61 1HB LEU 61 2.941 -6.465 2.315 569 HG LEU 61 HG LEU 61 4.223 -4.286 3.967 570 1HD1 LEU 61 1HD1 LEU 61 1.842 -3.940 3.621 571 2HD1 LEU 61 2HD1 LEU 61 2.165 -4.422 5.286 572 3HD1 LEU 61 3HD1 LEU 61 1.510 -5.592 4.141 573 1HD2 LEU 61 1HD2 LEU 61 3.490 -7.119 4.709 574 2HD2 LEU 61 2HD2 LEU 61 4.071 -5.880 5.820 575 3HD2 LEU 61 3HD2 LEU 61 5.125 -6.478 4.541 576 H SER 62 HN SER 62 6.474 -7.772 0.852 577 HA SER 62 HA SER 62 4.739 -8.673 -1.234 578 1HB SER 62 2HB SER 62 7.309 -7.227 -1.989 579 2HB SER 62 1HB SER 62 6.303 -8.155 -3.099 580 HG SER 62 HG SER 62 4.935 -6.234 -1.685 581 H SER 63 HN SER 63 4.966 -10.740 -0.744 582 HA SER 63 HA SER 63 5.814 -12.792 -0.328 583 1HB SER 63 2HB SER 63 8.230 -11.614 -1.696 584 2HB SER 63 1HB SER 63 8.030 -13.330 -1.342 585 HG SER 63 HG SER 63 6.148 -11.835 -2.866 586 H ASP 64 HN ASP 64 6.774 -10.157 1.274 587 HA ASP 64 HA ASP 64 8.126 -9.597 3.017 588 1HB ASP 64 2HB ASP 64 6.393 -11.089 4.035 589 2HB ASP 64 1HB ASP 64 7.537 -12.423 3.906 590 H VAL 65 HN VAL 65 9.827 -9.624 1.372 591 HA VAL 65 HA VAL 65 11.593 -11.664 0.829 592 HB VAL 65 HB VAL 65 12.279 -8.730 1.081 593 1HG1 VAL 65 1HG1 VAL 65 13.979 -9.232 -0.640 594 2HG1 VAL 65 2HG1 VAL 65 13.559 -10.941 -0.533 595 3HG1 VAL 65 3HG1 VAL 65 14.257 -10.117 0.860 596 1HG2 VAL 65 1HG2 VAL 65 11.727 -8.587 -1.312 597 2HG2 VAL 65 2HG2 VAL 65 10.327 -9.026 -0.331 598 3HG2 VAL 65 3HG2 VAL 65 11.164 -10.260 -1.274 599 H ILE 66 HN ILE 66 12.641 -8.943 2.801 600 HA ILE 66 HA ILE 66 13.776 -10.817 4.750 601 HB ILE 66 HB ILE 66 15.147 -8.318 3.723 602 1HG1 ILE 66 2HG1 ILE 66 15.885 -11.229 3.326 603 2HG1 ILE 66 1HG1 ILE 66 15.167 -10.194 2.096 604 1HG2 ILE 66 1HG2 ILE 66 16.033 -10.387 5.730 605 2HG2 ILE 66 2HG2 ILE 66 15.638 -8.698 6.057 606 3HG2 ILE 66 3HG2 ILE 66 17.054 -9.101 5.085 607 1HD1 ILE 66 1HD1 ILE 66 17.145 -8.754 2.172 608 2HD1 ILE 66 2HD1 ILE 66 17.550 -10.419 1.755 609 3HD1 ILE 66 3HD1 ILE 66 17.861 -9.818 3.384 610 H SER 67 HN SER 67 12.835 -7.483 4.045 611 HA SER 67 HA SER 67 11.451 -6.067 5.138 612 1HB SER 67 2HB SER 67 10.065 -7.936 5.779 613 2HB SER 67 1HB SER 67 11.161 -8.356 7.088 614 HG SER 67 HG SER 67 9.082 -6.919 7.351 615 H ALA 68 HN ALA 68 13.246 -7.775 7.728 616 HA ALA 68 HA ALA 68 14.151 -5.175 8.732 617 1HB ALA 68 1HB ALA 68 14.534 -7.943 9.875 618 2HB ALA 68 2HB ALA 68 13.282 -6.796 10.358 619 3HB ALA 68 3HB ALA 68 14.981 -6.428 10.656 620 H LEU 69 HN LEU 69 15.986 -4.369 8.011 621 HA LEU 69 HA LEU 69 18.068 -4.155 7.142 622 1HB LEU 69 2HB LEU 69 18.505 -6.951 8.200 623 2HB LEU 69 1HB LEU 69 19.757 -5.809 7.746 624 HG LEU 69 HG LEU 69 17.808 -5.453 10.027 625 1HD1 LEU 69 1HD1 LEU 69 19.766 -5.802 11.456 626 2HD1 LEU 69 2HD1 LEU 69 20.748 -6.140 10.030 627 3HD1 LEU 69 3HD1 LEU 69 19.422 -7.220 10.467 628 1HD2 LEU 69 1HD2 LEU 69 18.458 -3.321 9.085 629 2HD2 LEU 69 2HD2 LEU 69 20.158 -3.781 9.135 630 3HD2 LEU 69 3HD2 LEU 69 19.262 -3.554 10.637 631 H SER 70 HN SER 70 16.294 -4.650 5.256 632 HA SER 70 HA SER 70 16.652 -6.921 3.662 633 1HB SER 70 2HB SER 70 15.869 -4.119 2.836 634 2HB SER 70 1HB SER 70 15.638 -5.574 1.867 635 HG SER 70 HG SER 70 13.735 -5.075 2.969 636 H SER 71 HN SER 71 17.767 -7.144 1.632 637 HA SER 71 HA SER 71 19.707 -7.293 0.479 638 1HB SER 71 2HB SER 71 19.889 -4.342 1.146 639 2HB SER 71 1HB SER 71 20.901 -5.172 -0.035 640 HG SER 71 HG SER 71 19.267 -5.278 -1.399 641 H GLN 72 HN GLN 72 20.088 -8.525 2.605 642 HA GLN 72 HA GLN 72 21.784 -7.457 4.583 643 1HB GLN 72 2HB GLN 72 21.294 -10.342 3.827 644 2HB GLN 72 1HB GLN 72 22.069 -9.793 5.306 645 1HG GLN 72 2HG GLN 72 20.018 -8.689 5.989 646 2HG GLN 72 1HG GLN 72 19.235 -9.199 4.494 647 1HE2 GLN 72 1HE2 GLN 72 18.551 -9.776 7.268 648 2HE2 GLN 72 2HE2 GLN 72 18.549 -11.501 7.413 649 H LYS 73 HN LYS 73 23.906 -7.292 4.730 650 HA LYS 73 HA LYS 73 25.534 -8.106 2.470 651 1HB LYS 73 2HB LYS 73 26.143 -6.553 4.985 652 2HB LYS 73 1HB LYS 73 27.403 -7.066 3.876 653 1HG LYS 73 2HG LYS 73 26.915 -4.831 3.338 654 2HG LYS 73 1HG LYS 73 26.175 -5.810 2.073 655 1HD LYS 73 2HD LYS 73 24.669 -4.032 2.759 656 2HD LYS 73 1HD LYS 73 24.004 -5.603 3.202 657 1HE LYS 73 2HE LYS 73 23.699 -3.972 4.994 658 2HE LYS 73 1HE LYS 73 24.755 -5.291 5.498 659 1HZ LYS 73 1HZ LYS 73 25.513 -3.029 6.154 660 2HZ LYS 73 2HZ LYS 73 25.754 -2.674 4.514 661 3HZ LYS 73 3HZ LYS 73 26.654 -3.905 5.257 662 H LYS 74 HN LYS 74 26.052 -10.185 2.403 663 HA LYS 74 HA LYS 74 26.944 -11.482 4.890 664 1HB LYS 74 2HB LYS 74 25.568 -12.707 2.493 665 2HB LYS 74 1HB LYS 74 26.246 -13.632 3.823 666 1HG LYS 74 2HG LYS 74 24.689 -12.526 5.365 667 2HG LYS 74 1HG LYS 74 23.989 -11.649 4.005 668 1HD LYS 74 2HD LYS 74 23.293 -13.730 2.981 669 2HD LYS 74 1HD LYS 74 24.080 -14.652 4.262 670 1HE LYS 74 2HE LYS 74 22.565 -13.639 5.904 671 2HE LYS 74 1HE LYS 74 21.766 -12.752 4.609 672 1HZ LYS 74 1HZ LYS 74 21.909 -15.708 4.814 673 2HZ LYS 74 2HZ LYS 74 21.087 -14.824 3.619 674 3HZ LYS 74 3HZ LYS 74 20.562 -14.767 5.233 Start of MODEL 12 1 H HIS -9 H HIS -9 15.743 14.628 -21.815 2 HA HIS -9 HA HIS -9 17.174 14.833 -19.929 3 1HB HIS -9 2HB HIS -9 15.144 16.329 -20.159 4 2HB HIS -9 1HB HIS -9 14.316 15.269 -19.027 5 HD1 HIS -9 1HD HIS -9 14.433 15.999 -16.667 6 HD2 HIS -9 2HD HIS -9 17.626 17.452 -18.902 7 HE1 HIS -9 1HE HIS -9 15.746 17.463 -15.102 8 HE2 HIS -9 2HE HIS -9 17.536 18.502 -16.538 9 H SER -8 HN SER -8 17.724 14.241 -17.764 10 HA SER -8 HA SER -8 16.601 11.627 -17.008 11 1HB SER -8 2HB SER -8 19.339 12.746 -16.386 12 2HB SER -8 1HB SER -8 18.768 11.114 -16.037 13 HG SER -8 HG SER -8 19.967 11.092 -17.941 14 H SER -7 HN SER -7 16.760 11.077 -14.681 15 HA SER -7 HA SER -7 16.257 11.381 -12.510 16 1HB SER -7 2HB SER -7 17.742 13.984 -12.952 17 2HB SER -7 1HB SER -7 17.278 13.359 -11.369 18 HG SER -7 HG SER -7 19.474 12.816 -12.593 19 H GLY -6 HN GLY -6 14.494 12.597 -14.715 20 1HA GLY -6 2HA GLY -6 12.892 14.436 -13.139 21 2HA GLY -6 1HA GLY -6 12.501 13.804 -14.738 22 H HIS -5 HN HIS -5 13.444 11.207 -13.113 23 HA HIS -5 HA HIS -5 10.779 10.250 -12.634 24 1HB HIS -5 2HB HIS -5 12.563 8.796 -13.570 25 2HB HIS -5 1HB HIS -5 13.470 8.961 -12.071 26 HD1 HIS -5 1HD HIS -5 10.389 7.350 -13.514 27 HD2 HIS -5 2HD HIS -5 12.608 7.317 -9.999 28 HE1 HIS -5 1HE HIS -5 9.502 5.416 -12.171 29 HE2 HIS -5 2HE HIS -5 10.964 5.313 -10.124 30 H ILE -4 HN ILE -4 9.799 11.059 -10.879 31 HA ILE -4 HA ILE -4 11.371 11.532 -8.481 32 HB ILE -4 HB ILE -4 9.376 12.621 -7.540 33 1HG1 ILE -4 2HG1 ILE -4 7.697 11.284 -8.895 34 2HG1 ILE -4 1HG1 ILE -4 7.371 13.006 -8.761 35 1HG2 ILE -4 1HG2 ILE -4 11.019 13.945 -8.710 36 2HG2 ILE -4 2HG2 ILE -4 9.404 14.595 -8.994 37 3HG2 ILE -4 3HG2 ILE -4 10.204 13.645 -10.246 38 1HD1 ILE -4 1HD1 ILE -4 8.610 11.638 -11.137 39 2HD1 ILE -4 2HD1 ILE -4 8.229 13.355 -11.007 40 3HD1 ILE -4 3HD1 ILE -4 6.929 12.161 -11.003 41 H GLU -3 HN GLU -3 11.552 10.046 -6.999 42 HA GLU -3 HA GLU -3 9.661 7.844 -6.895 43 1HB GLU -3 2HB GLU -3 12.179 8.369 -5.307 44 2HB GLU -3 1HB GLU -3 11.218 6.900 -5.218 45 1HG GLU -3 2HG GLU -3 11.682 6.483 -7.602 46 2HG GLU -3 1HG GLU -3 12.709 7.918 -7.631 47 H GLY -2 HN GLY -2 9.188 10.718 -6.033 48 1HA GLY -2 2HA GLY -2 8.479 10.505 -3.244 49 2HA GLY -2 1HA GLY -2 8.077 11.827 -4.335 50 H ARG -1 HN ARG -1 7.421 8.391 -4.676 51 HA ARG -1 HA ARG -1 4.563 8.867 -4.219 52 1HB ARG -1 2HB ARG -1 3.908 7.691 -6.129 53 2HB ARG -1 1HB ARG -1 5.294 8.594 -6.721 54 1HG ARG -1 2HG ARG -1 6.680 6.535 -6.274 55 2HG ARG -1 1HG ARG -1 5.166 5.678 -5.989 56 1HD ARG -1 2HD ARG -1 6.205 6.887 -8.529 57 2HD ARG -1 1HD ARG -1 5.674 5.235 -8.225 58 HE ARG -1 HE ARG -1 3.896 7.571 -8.491 59 1HH1 ARG -1 1HH1 ARG -1 4.440 4.099 -8.692 60 2HH1 ARG -1 2HH1 ARG -1 2.889 3.786 -9.416 61 1HH2 ARG -1 1HH2 ARG -1 1.903 7.148 -9.485 62 2HH2 ARG -1 2HH2 ARG -1 1.456 5.509 -9.879 63 H HIS 0 HN HIS 0 3.572 7.186 -3.045 64 HA HIS 0 HA HIS 0 5.424 5.044 -2.268 65 1HB HIS 0 2HB HIS 0 4.165 4.776 -0.161 66 2HB HIS 0 1HB HIS 0 4.879 6.371 -0.311 67 HD1 HIS 0 1HD HIS 0 3.337 7.802 1.021 68 HD2 HIS 0 2HD HIS 0 1.287 5.265 -1.527 69 HE1 HIS 0 1HE HIS 0 0.925 8.473 1.208 70 HE2 HIS 0 2HE HIS 0 -0.319 6.800 -0.212 71 H MET 1 HN MET 1 4.964 3.074 -2.946 72 HA MET 1 HA MET 1 2.154 2.458 -3.599 73 1HB MET 1 2HB MET 1 3.616 2.437 -5.581 74 2HB MET 1 1HB MET 1 4.666 1.267 -4.793 75 1HG MET 1 2HG MET 1 2.838 -0.355 -4.753 76 2HG MET 1 1HG MET 1 1.785 0.819 -5.544 77 1HE MET 1 1HE MET 1 5.546 -0.970 -7.532 78 2HE MET 1 2HE MET 1 5.006 -1.409 -5.911 79 3HE MET 1 3HE MET 1 5.598 0.224 -6.233 80 H LEU 2 HN LEU 2 1.284 1.227 -2.066 81 HA LEU 2 HA LEU 2 3.043 -0.715 -0.723 82 1HB LEU 2 2HB LEU 2 1.967 1.299 0.567 83 2HB LEU 2 1HB LEU 2 0.512 0.318 0.493 84 HG LEU 2 HG LEU 2 1.922 0.135 2.624 85 1HD1 LEU 2 1HD1 LEU 2 1.238 -2.380 1.112 86 2HD1 LEU 2 2HD1 LEU 2 0.144 -1.439 2.125 87 3HD1 LEU 2 3HD1 LEU 2 1.520 -2.273 2.849 88 1HD2 LEU 2 1HD2 LEU 2 3.797 -1.386 2.588 89 2HD2 LEU 2 2HD2 LEU 2 4.108 -0.041 1.492 90 3HD2 LEU 2 3HD2 LEU 2 3.625 -1.611 0.850 91 H VAL 3 HN VAL 3 2.512 -2.801 -0.844 92 HA VAL 3 HA VAL 3 0.181 -3.478 -2.418 93 HB VAL 3 HB VAL 3 1.303 -5.728 -2.500 94 1HG1 VAL 3 1HG1 VAL 3 2.782 -3.347 -3.586 95 2HG1 VAL 3 2HG1 VAL 3 1.422 -4.175 -4.346 96 3HG1 VAL 3 3HG1 VAL 3 2.966 -5.004 -4.159 97 1HG2 VAL 3 1HG2 VAL 3 3.605 -4.206 -1.306 98 2HG2 VAL 3 2HG2 VAL 3 3.679 -5.841 -1.957 99 3HG2 VAL 3 3HG2 VAL 3 2.711 -5.506 -0.521 100 H LEU 4 HN LEU 4 -1.542 -4.389 -1.636 101 HA LEU 4 HA LEU 4 -1.461 -5.708 0.997 102 1HB LEU 4 2HB LEU 4 -3.513 -4.065 -0.384 103 2HB LEU 4 1HB LEU 4 -4.096 -5.428 0.543 104 HG LEU 4 HG LEU 4 -2.604 -3.009 1.540 105 1HD1 LEU 4 1HD1 LEU 4 -5.000 -2.751 1.239 106 2HD1 LEU 4 2HD1 LEU 4 -4.581 -2.750 2.952 107 3HD1 LEU 4 3HD1 LEU 4 -5.295 -4.188 2.220 108 1HD2 LEU 4 1HD2 LEU 4 -1.622 -4.870 2.688 109 2HD2 LEU 4 2HD2 LEU 4 -3.207 -5.577 2.997 110 3HD2 LEU 4 3HD2 LEU 4 -2.745 -4.068 3.784 111 H SER 5 HN SER 5 -2.160 -7.813 1.140 112 HA SER 5 HA SER 5 -2.337 -9.198 -1.399 113 1HB SER 5 2HB SER 5 -2.298 -10.303 1.414 114 2HB SER 5 1HB SER 5 -2.102 -11.231 -0.071 115 HG SER 5 HG SER 5 -0.312 -9.547 1.234 116 H ARG 6 HN ARG 6 -4.230 -9.298 -2.352 117 HA ARG 6 HA ARG 6 -6.539 -10.294 -0.888 118 1HB ARG 6 2HB ARG 6 -6.567 -7.727 -0.812 119 2HB ARG 6 1HB ARG 6 -6.778 -7.780 -2.555 120 1HG ARG 6 2HG ARG 6 -8.948 -7.607 -1.929 121 2HG ARG 6 1HG ARG 6 -8.793 -9.363 -1.905 122 1HD ARG 6 2HD ARG 6 -8.421 -7.608 0.519 123 2HD ARG 6 1HD ARG 6 -9.946 -8.376 0.090 124 HE ARG 6 HE ARG 6 -8.456 -10.516 0.192 125 1HH1 ARG 6 1HH1 ARG 6 -8.333 -7.744 2.319 126 2HH1 ARG 6 2HH1 ARG 6 -7.770 -8.644 3.693 127 1HH2 ARG 6 1HH2 ARG 6 -7.768 -11.737 1.994 128 2HH2 ARG 6 2HH2 ARG 6 -7.473 -10.936 3.511 129 H LYS 7 HN LYS 7 -7.437 -11.829 -2.180 130 HA LYS 7 HA LYS 7 -6.214 -11.987 -4.846 131 1HB LYS 7 2HB LYS 7 -7.186 -14.257 -3.096 132 2HB LYS 7 1HB LYS 7 -6.355 -14.414 -4.640 133 1HG LYS 7 2HG LYS 7 -4.622 -14.758 -3.186 134 2HG LYS 7 1HG LYS 7 -4.493 -13.017 -3.440 135 1HD LYS 7 2HD LYS 7 -6.042 -12.864 -1.353 136 2HD LYS 7 1HD LYS 7 -5.512 -14.515 -1.055 137 1HE LYS 7 2HE LYS 7 -3.159 -13.679 -1.209 138 2HE LYS 7 1HE LYS 7 -3.811 -12.035 -1.243 139 1HZ LYS 7 1HZ LYS 7 -4.771 -12.387 0.934 140 2HZ LYS 7 2HZ LYS 7 -3.128 -12.800 1.010 141 3HZ LYS 7 3HZ LYS 7 -4.305 -14.016 0.935 142 H ILE 8 HN ILE 8 -7.932 -10.657 -5.610 143 HA ILE 8 HA ILE 8 -10.284 -12.199 -6.406 144 HB ILE 8 HB ILE 8 -10.759 -9.374 -5.556 145 1HG1 ILE 8 2HG1 ILE 8 -10.723 -11.729 -3.652 146 2HG1 ILE 8 1HG1 ILE 8 -9.690 -10.305 -3.582 147 1HG2 ILE 8 1HG2 ILE 8 -12.469 -11.855 -5.604 148 2HG2 ILE 8 2HG2 ILE 8 -12.479 -10.546 -6.786 149 3HG2 ILE 8 3HG2 ILE 8 -13.018 -10.247 -5.135 150 1HD1 ILE 8 1HD1 ILE 8 -11.435 -10.170 -1.927 151 2HD1 ILE 8 2HD1 ILE 8 -12.671 -10.365 -3.171 152 3HD1 ILE 8 3HD1 ILE 8 -11.660 -8.919 -3.149 153 H ASN 9 HN ASN 9 -8.403 -9.282 -6.607 154 HA ASN 9 HA ASN 9 -8.039 -7.698 -8.116 155 1HB ASN 9 2HB ASN 9 -7.343 -8.395 -10.090 156 2HB ASN 9 1HB ASN 9 -7.764 -10.010 -9.555 157 1HD2 ASN 9 1HD2 ASN 9 -9.576 -11.013 -10.432 158 2HD2 ASN 9 2HD2 ASN 9 -10.394 -10.405 -11.833 159 H GLU 10 HN GLU 10 -9.081 -5.987 -8.326 160 HA GLU 10 HA GLU 10 -11.595 -5.554 -9.515 161 1HB GLU 10 2HB GLU 10 -12.752 -4.969 -7.275 162 2HB GLU 10 1HB GLU 10 -12.643 -6.673 -7.702 163 1HG GLU 10 2HG GLU 10 -10.795 -6.999 -6.230 164 2HG GLU 10 1HG GLU 10 -10.668 -5.272 -5.902 165 H ALA 11 HN ALA 11 -11.948 -3.610 -7.002 166 HA ALA 11 HA ALA 11 -9.544 -1.986 -7.245 167 1HB ALA 11 1HB ALA 11 -10.787 0.073 -7.738 168 2HB ALA 11 2HB ALA 11 -12.276 -0.861 -7.897 169 3HB ALA 11 3HB ALA 11 -10.955 -1.105 -9.040 170 H ILE 12 HN ILE 12 -9.214 -0.630 -5.472 171 HA ILE 12 HA ILE 12 -11.015 -1.177 -3.209 172 HB ILE 12 HB ILE 12 -8.099 -0.373 -3.198 173 1HG1 ILE 12 2HG1 ILE 12 -8.476 -2.715 -3.803 174 2HG1 ILE 12 1HG1 ILE 12 -7.742 -2.590 -2.207 175 1HG2 ILE 12 1HG2 ILE 12 -8.196 -0.626 -0.772 176 2HG2 ILE 12 2HG2 ILE 12 -9.928 -0.936 -0.866 177 3HG2 ILE 12 3HG2 ILE 12 -9.290 0.642 -1.324 178 1HD1 ILE 12 1HD1 ILE 12 -10.658 -3.085 -2.768 179 2HD1 ILE 12 2HD1 ILE 12 -9.916 -2.973 -1.170 180 3HD1 ILE 12 3HD1 ILE 12 -9.474 -4.290 -2.259 181 H GLN 13 HN GLN 13 -12.295 0.425 -2.647 182 HA GLN 13 HA GLN 13 -11.337 3.193 -2.980 183 1HB GLN 13 2HB GLN 13 -13.036 2.983 -4.593 184 2HB GLN 13 1HB GLN 13 -14.034 1.991 -3.545 185 1HG GLN 13 2HG GLN 13 -15.107 4.078 -3.694 186 2HG GLN 13 1HG GLN 13 -14.361 4.027 -2.103 187 1HE2 GLN 13 1HE2 GLN 13 -11.676 4.621 -3.148 188 2HE2 GLN 13 2HE2 GLN 13 -11.705 6.291 -3.576 189 H ILE 14 HN ILE 14 -10.695 3.635 -0.954 190 HA ILE 14 HA ILE 14 -12.687 3.255 1.171 191 HB ILE 14 HB ILE 14 -10.868 3.212 2.824 192 1HG1 ILE 14 2HG1 ILE 14 -9.192 4.369 1.244 193 2HG1 ILE 14 1HG1 ILE 14 -8.589 3.111 2.312 194 1HG2 ILE 14 1HG2 ILE 14 -10.103 0.923 2.351 195 2HG2 ILE 14 2HG2 ILE 14 -10.730 1.077 0.710 196 3HG2 ILE 14 3HG2 ILE 14 -11.833 1.143 2.084 197 1HD1 ILE 14 1HD1 ILE 14 -8.636 1.525 0.446 198 2HD1 ILE 14 2HD1 ILE 14 -7.609 2.920 0.114 199 3HD1 ILE 14 3HD1 ILE 14 -9.207 2.808 -0.618 200 H GLY 15 HN GLY 15 -13.480 5.007 2.036 201 1HA GLY 15 2HA GLY 15 -13.721 7.157 2.775 202 2HA GLY 15 1HA GLY 15 -11.971 7.219 2.862 203 H ALA 16 HN ALA 16 -12.851 6.489 -0.254 204 HA ALA 16 HA ALA 16 -12.922 7.591 -2.223 205 1HB ALA 16 1HB ALA 16 -13.964 9.766 -2.372 206 2HB ALA 16 2HB ALA 16 -13.801 9.991 -0.630 207 3HB ALA 16 3HB ALA 16 -14.870 8.737 -1.257 208 H ASP 17 HN ASP 17 -10.643 8.075 0.013 209 HA ASP 17 HA ASP 17 -9.256 10.244 -1.355 210 1HB ASP 17 2HB ASP 17 -9.057 10.220 1.073 211 2HB ASP 17 1HB ASP 17 -8.401 8.585 1.040 212 H ILE 18 HN ILE 18 -9.029 6.780 -0.823 213 HA ILE 18 HA ILE 18 -7.061 6.670 -3.009 214 HB ILE 18 HB ILE 18 -7.288 4.873 -0.589 215 1HG1 ILE 18 2HG1 ILE 18 -6.101 6.963 -0.198 216 2HG1 ILE 18 1HG1 ILE 18 -4.972 5.613 -0.185 217 1HG2 ILE 18 1HG2 ILE 18 -5.538 4.555 -3.026 218 2HG2 ILE 18 2HG2 ILE 18 -6.848 3.486 -2.526 219 3HG2 ILE 18 3HG2 ILE 18 -5.393 3.618 -1.539 220 1HD1 ILE 18 1HD1 ILE 18 -4.034 7.513 -1.348 221 2HD1 ILE 18 2HD1 ILE 18 -5.411 7.544 -2.450 222 3HD1 ILE 18 3HD1 ILE 18 -4.297 6.177 -2.471 223 H GLU 19 HN GLU 19 -7.742 5.718 -4.773 224 HA GLU 19 HA GLU 19 -9.621 3.476 -4.608 225 1HB GLU 19 2HB GLU 19 -10.823 4.412 -6.613 226 2HB GLU 19 1HB GLU 19 -11.056 5.321 -5.125 227 1HG GLU 19 2HG GLU 19 -9.324 6.915 -5.873 228 2HG GLU 19 1HG GLU 19 -9.212 6.032 -7.394 229 H VAL 20 HN VAL 20 -8.532 1.808 -5.462 230 HA VAL 20 HA VAL 20 -7.913 1.490 -8.107 231 HB VAL 20 HB VAL 20 -6.233 3.331 -7.713 232 1HG1 VAL 20 1HG1 VAL 20 -4.795 1.223 -6.111 233 2HG1 VAL 20 2HG1 VAL 20 -5.496 2.715 -5.483 234 3HG1 VAL 20 3HG1 VAL 20 -4.131 2.782 -6.599 235 1HG2 VAL 20 1HG2 VAL 20 -6.034 1.814 -9.609 236 2HG2 VAL 20 2HG2 VAL 20 -5.107 0.683 -8.619 237 3HG2 VAL 20 3HG2 VAL 20 -4.445 2.276 -8.996 238 H LYS 21 HN LYS 21 -7.130 -0.587 -8.560 239 HA LYS 21 HA LYS 21 -5.655 -1.953 -6.412 240 1HB LYS 21 2HB LYS 21 -7.926 -3.007 -8.012 241 2HB LYS 21 1HB LYS 21 -6.561 -4.090 -7.780 242 1HG LYS 21 2HG LYS 21 -6.803 -3.509 -5.291 243 2HG LYS 21 1HG LYS 21 -8.400 -2.918 -5.741 244 1HD LYS 21 2HD LYS 21 -8.949 -5.126 -6.659 245 2HD LYS 21 1HD LYS 21 -7.349 -5.713 -6.192 246 1HE LYS 21 2HE LYS 21 -7.903 -5.113 -3.832 247 2HE LYS 21 1HE LYS 21 -9.535 -4.730 -4.361 248 1HZ LYS 21 1HZ LYS 21 -9.791 -7.034 -5.076 249 2HZ LYS 21 2HZ LYS 21 -9.439 -6.933 -3.427 250 3HZ LYS 21 3HZ LYS 21 -8.232 -7.394 -4.521 251 H VAL 22 HN VAL 22 -3.655 -1.458 -7.225 252 HA VAL 22 HA VAL 22 -3.038 -2.208 -9.959 253 HB VAL 22 HB VAL 22 -1.166 -1.439 -7.702 254 1HG1 VAL 22 1HG1 VAL 22 0.488 -1.077 -9.484 255 2HG1 VAL 22 2HG1 VAL 22 -0.665 -1.705 -10.664 256 3HG1 VAL 22 3HG1 VAL 22 -0.039 -2.758 -9.396 257 1HG2 VAL 22 1HG2 VAL 22 -2.646 0.400 -8.264 258 2HG2 VAL 22 2HG2 VAL 22 -2.267 0.214 -9.976 259 3HG2 VAL 22 3HG2 VAL 22 -1.018 0.740 -8.847 260 H ILE 23 HN ILE 23 -3.088 -4.306 -10.359 261 HA ILE 23 HA ILE 23 -2.614 -6.182 -8.211 262 HB ILE 23 HB ILE 23 -3.416 -6.667 -11.083 263 1HG1 ILE 23 2HG1 ILE 23 -5.225 -7.008 -8.731 264 2HG1 ILE 23 1HG1 ILE 23 -4.938 -5.374 -9.336 265 1HG2 ILE 23 1HG2 ILE 23 -2.323 -8.604 -10.091 266 2HG2 ILE 23 2HG2 ILE 23 -4.046 -8.896 -10.323 267 3HG2 ILE 23 3HG2 ILE 23 -3.421 -8.526 -8.715 268 1HD1 ILE 23 1HD1 ILE 23 -6.939 -6.279 -10.319 269 2HD1 ILE 23 2HD1 ILE 23 -6.065 -7.705 -10.876 270 3HD1 ILE 23 3HD1 ILE 23 -5.699 -6.123 -11.563 271 H ALA 24 HN ALA 24 -0.859 -7.251 -7.872 272 HA ALA 24 HA ALA 24 1.203 -7.368 -9.968 273 1HB ALA 24 1HB ALA 24 2.906 -7.115 -8.233 274 2HB ALA 24 2HB ALA 24 1.649 -6.957 -7.008 275 3HB ALA 24 3HB ALA 24 1.825 -5.721 -8.253 276 H VAL 25 HN VAL 25 2.463 -9.267 -9.968 277 HA VAL 25 HA VAL 25 0.994 -11.534 -8.874 278 HB VAL 25 HB VAL 25 3.361 -11.569 -10.753 279 1HG1 VAL 25 1HG1 VAL 25 3.001 -13.659 -9.543 280 2HG1 VAL 25 2HG1 VAL 25 2.619 -13.841 -11.257 281 3HG1 VAL 25 3HG1 VAL 25 1.319 -13.683 -10.075 282 1HG2 VAL 25 1HG2 VAL 25 1.727 -11.927 -12.542 283 2HG2 VAL 25 2HG2 VAL 25 1.501 -10.360 -11.762 284 3HG2 VAL 25 3HG2 VAL 25 0.415 -11.699 -11.386 285 H GLU 26 HN GLU 26 1.515 -12.133 -6.920 286 HA GLU 26 HA GLU 26 4.117 -11.591 -5.775 287 1HB GLU 26 2HB GLU 26 1.702 -11.596 -4.675 288 2HB GLU 26 1HB GLU 26 2.049 -13.308 -4.458 289 1HG GLU 26 2HG GLU 26 4.253 -12.466 -3.383 290 2HG GLU 26 1HG GLU 26 3.385 -10.933 -3.241 291 H GLY 27 HN GLY 27 4.251 -13.303 -7.995 292 1HA GLY 27 2HA GLY 27 5.280 -15.276 -8.602 293 2HA GLY 27 1HA GLY 27 5.416 -15.688 -6.896 294 H ASP 28 HN ASP 28 3.274 -16.219 -5.830 295 HA ASP 28 HA ASP 28 1.559 -17.725 -7.686 296 1HB ASP 28 2HB ASP 28 1.335 -19.475 -5.964 297 2HB ASP 28 1HB ASP 28 3.009 -19.275 -6.465 298 H GLN 29 HN GLN 29 1.583 -15.133 -5.818 299 HA GLN 29 HA GLN 29 -1.150 -15.562 -4.803 300 1HB GLN 29 2HB GLN 29 0.388 -15.353 -2.945 301 2HB GLN 29 1HB GLN 29 1.089 -13.906 -3.652 302 1HG GLN 29 2HG GLN 29 -0.470 -12.574 -2.817 303 2HG GLN 29 1HG GLN 29 -1.785 -13.702 -3.180 304 1HE2 GLN 29 1HE2 GLN 29 0.464 -12.582 -0.829 305 2HE2 GLN 29 2HE2 GLN 29 -0.132 -13.518 0.500 306 H VAL 30 HN VAL 30 -2.631 -13.845 -5.021 307 HA VAL 30 HA VAL 30 -1.769 -11.749 -6.892 308 HB VAL 30 HB VAL 30 -4.620 -12.494 -6.198 309 1HG1 VAL 30 1HG1 VAL 30 -3.547 -10.900 -8.517 310 2HG1 VAL 30 2HG1 VAL 30 -4.300 -10.229 -7.072 311 3HG1 VAL 30 3HG1 VAL 30 -5.243 -11.243 -8.163 312 1HG2 VAL 30 1HG2 VAL 30 -3.030 -13.381 -8.604 313 2HG2 VAL 30 2HG2 VAL 30 -4.738 -13.708 -8.305 314 3HG2 VAL 30 3HG2 VAL 30 -3.507 -14.404 -7.251 315 H LYS 31 HN LYS 31 -1.409 -9.823 -6.041 316 HA LYS 31 HA LYS 31 -3.049 -8.996 -3.776 317 1HB LYS 31 2HB LYS 31 -1.173 -8.284 -2.484 318 2HB LYS 31 1HB LYS 31 -0.886 -9.946 -2.973 319 1HG LYS 31 2HG LYS 31 0.536 -8.999 -4.839 320 2HG LYS 31 1HG LYS 31 0.390 -7.438 -4.031 321 1HD LYS 31 2HD LYS 31 1.622 -9.967 -2.954 322 2HD LYS 31 1HD LYS 31 2.424 -8.431 -3.285 323 1HE LYS 31 2HE LYS 31 1.449 -7.384 -1.443 324 2HE LYS 31 1HE LYS 31 0.173 -8.595 -1.320 325 1HZ LYS 31 1HZ LYS 31 1.870 -10.222 -0.657 326 2HZ LYS 31 2HZ LYS 31 1.749 -8.926 0.436 327 3HZ LYS 31 3HZ LYS 31 3.039 -8.996 -0.661 328 H LEU 32 HN LEU 32 -3.269 -6.750 -3.516 329 HA LEU 32 HA LEU 32 -2.962 -5.297 -6.041 330 1HB LEU 32 2HB LEU 32 -4.589 -3.745 -5.159 331 2HB LEU 32 1HB LEU 32 -5.210 -5.375 -5.024 332 HG LEU 32 HG LEU 32 -3.962 -4.923 -2.569 333 1HD1 LEU 32 1HD1 LEU 32 -5.511 -2.472 -3.411 334 2HD1 LEU 32 2HD1 LEU 32 -3.781 -2.545 -3.077 335 3HD1 LEU 32 3HD1 LEU 32 -4.942 -2.821 -1.779 336 1HD2 LEU 32 1HD2 LEU 32 -6.278 -4.857 -1.713 337 2HD2 LEU 32 2HD2 LEU 32 -6.008 -6.159 -2.869 338 3HD2 LEU 32 3HD2 LEU 32 -6.865 -4.700 -3.372 339 H GLY 33 HN GLY 33 -2.323 -3.007 -5.899 340 1HA GLY 33 2HA GLY 33 -0.848 -2.318 -3.449 341 2HA GLY 33 1HA GLY 33 -0.080 -2.140 -5.021 342 H ILE 34 HN ILE 34 -1.224 -0.286 -2.755 343 HA ILE 34 HA ILE 34 -2.742 1.439 -4.564 344 HB ILE 34 HB ILE 34 -3.467 2.741 -2.694 345 1HG1 ILE 34 2HG1 ILE 34 -2.108 0.985 -0.690 346 2HG1 ILE 34 1HG1 ILE 34 -1.186 2.296 -1.438 347 1HG2 ILE 34 1HG2 ILE 34 -4.742 1.092 -1.442 348 2HG2 ILE 34 2HG2 ILE 34 -3.677 -0.184 -2.028 349 3HG2 ILE 34 3HG2 ILE 34 -4.701 0.695 -3.161 350 1HD1 ILE 34 1HD1 ILE 34 -2.167 2.973 0.679 351 2HD1 ILE 34 2HD1 ILE 34 -3.776 2.582 0.073 352 3HD1 ILE 34 3HD1 ILE 34 -2.853 3.896 -0.656 353 H ASP 35 HN ASP 35 -1.710 2.997 -5.597 354 HA ASP 35 HA ASP 35 0.670 4.111 -4.291 355 1HB ASP 35 2HB ASP 35 1.557 4.716 -6.445 356 2HB ASP 35 1HB ASP 35 1.126 3.013 -6.484 357 H ALA 36 HN ALA 36 0.846 6.231 -4.030 358 HA ALA 36 HA ALA 36 -1.315 7.969 -4.962 359 1HB ALA 36 1HB ALA 36 -1.948 7.261 -2.708 360 2HB ALA 36 2HB ALA 36 -1.534 8.975 -2.739 361 3HB ALA 36 3HB ALA 36 -0.387 7.801 -2.091 362 HA PRO 37 HA PRO 37 1.992 10.800 -5.774 363 1HB PRO 37 2HB PRO 37 0.281 13.036 -4.957 364 2HB PRO 37 1HB PRO 37 0.912 12.638 -6.556 365 1HG PRO 37 2HG PRO 37 -1.700 12.373 -5.926 366 2HG PRO 37 1HG PRO 37 -0.887 11.295 -7.075 367 1HD PRO 37 2HD PRO 37 -1.605 10.834 -4.209 368 2HD PRO 37 1HD PRO 37 -1.705 9.721 -5.590 369 H LYS 38 HN LYS 38 1.392 9.853 -2.914 370 HA LYS 38 HA LYS 38 2.373 10.013 -0.907 371 1HB LYS 38 2HB LYS 38 4.218 11.338 -2.727 372 2HB LYS 38 1HB LYS 38 4.417 11.813 -1.044 373 1HG LYS 38 2HG LYS 38 4.383 8.981 -2.055 374 2HG LYS 38 1HG LYS 38 5.838 9.913 -1.687 375 1HD LYS 38 2HD LYS 38 3.684 9.613 0.365 376 2HD LYS 38 1HD LYS 38 4.843 8.305 0.097 377 1HE LYS 38 2HE LYS 38 5.795 11.109 0.515 378 2HE LYS 38 1HE LYS 38 5.358 10.099 1.895 379 1HZ LYS 38 1HZ LYS 38 7.380 9.384 -0.169 380 2HZ LYS 38 2HZ LYS 38 6.998 8.493 1.221 381 3HZ LYS 38 3HZ LYS 38 7.736 10.014 1.369 382 H HIS 39 HN HIS 39 0.236 11.944 -1.689 383 HA HIS 39 HA HIS 39 0.498 14.161 0.065 384 1HB HIS 39 2HB HIS 39 -1.903 14.363 -0.083 385 2HB HIS 39 1HB HIS 39 -1.334 13.852 -1.671 386 HD1 HIS 39 1HD HIS 39 -1.000 10.817 -0.562 387 HD2 HIS 39 2HD HIS 39 -4.440 13.134 -0.526 388 HE1 HIS 39 1HE HIS 39 -2.873 9.203 -0.376 389 HE2 HIS 39 2HE HIS 39 -4.952 10.619 -0.157 390 H ILE 40 HN ILE 40 -1.376 14.104 1.930 391 HA ILE 40 HA ILE 40 -0.558 12.096 3.840 392 HB ILE 40 HB ILE 40 -1.897 13.280 5.459 393 1HG1 ILE 40 2HG1 ILE 40 -3.703 13.790 3.668 394 2HG1 ILE 40 1HG1 ILE 40 -3.477 14.940 4.987 395 1HG2 ILE 40 1HG2 ILE 40 0.305 14.191 5.008 396 2HG2 ILE 40 2HG2 ILE 40 -0.822 15.484 5.412 397 3HG2 ILE 40 3HG2 ILE 40 -0.357 15.212 3.732 398 1HD1 ILE 40 1HD1 ILE 40 -2.596 15.192 2.123 399 2HD1 ILE 40 2HD1 ILE 40 -2.022 16.265 3.397 400 3HD1 ILE 40 3HD1 ILE 40 -3.742 16.199 3.005 401 H ASP 41 HN ASP 41 -2.066 10.719 4.900 402 HA ASP 41 HA ASP 41 -4.215 9.932 3.084 403 1HB ASP 41 2HB ASP 41 -4.077 7.737 4.300 404 2HB ASP 41 1HB ASP 41 -2.612 8.218 3.437 405 H ILE 42 HN ILE 42 -6.211 10.342 3.574 406 HA ILE 42 HA ILE 42 -6.882 11.487 6.142 407 HB ILE 42 HB ILE 42 -8.847 10.894 3.945 408 1HG1 ILE 42 2HG1 ILE 42 -6.901 13.207 4.092 409 2HG1 ILE 42 1HG1 ILE 42 -6.963 11.966 2.846 410 1HG2 ILE 42 1HG2 ILE 42 -9.739 11.696 6.064 411 2HG2 ILE 42 2HG2 ILE 42 -9.951 12.906 4.799 412 3HG2 ILE 42 3HG2 ILE 42 -8.672 13.099 5.997 413 1HD1 ILE 42 1HD1 ILE 42 -9.158 12.790 2.150 414 2HD1 ILE 42 2HD1 ILE 42 -7.912 14.036 2.046 415 3HD1 ILE 42 3HD1 ILE 42 -9.066 14.053 3.381 416 H HIS 43 HN HIS 43 -8.438 10.640 7.604 417 HA HIS 43 HA HIS 43 -9.539 7.991 7.034 418 1HB HIS 43 2HB HIS 43 -8.293 8.446 9.735 419 2HB HIS 43 1HB HIS 43 -8.787 6.929 8.975 420 HD1 HIS 43 1HD HIS 43 -5.855 8.739 9.822 421 HD2 HIS 43 2HD HIS 43 -7.002 6.479 6.529 422 HE1 HIS 43 1HE HIS 43 -3.728 8.073 8.681 423 HE2 HIS 43 2HE HIS 43 -4.441 6.892 6.609 424 H ARG 44 HN ARG 44 -11.149 7.383 8.833 425 HA ARG 44 HA ARG 44 -12.646 9.822 9.496 426 1HB ARG 44 2HB ARG 44 -13.580 6.949 9.352 427 2HB ARG 44 1HB ARG 44 -14.597 8.317 9.787 428 1HG ARG 44 2HG ARG 44 -14.119 9.309 7.562 429 2HG ARG 44 1HG ARG 44 -13.245 7.836 7.143 430 1HD ARG 44 2HD ARG 44 -16.156 7.996 7.915 431 2HD ARG 44 1HD ARG 44 -15.539 7.830 6.272 432 HE ARG 44 HE ARG 44 -14.776 5.772 8.196 433 1HH1 ARG 44 1HH1 ARG 44 -16.774 6.746 5.491 434 2HH1 ARG 44 2HH1 ARG 44 -17.296 5.126 5.122 435 1HH2 ARG 44 1HH2 ARG 44 -15.406 3.649 7.702 436 2HH2 ARG 44 2HH2 ARG 44 -16.489 3.349 6.369 437 H LYS 45 HN LYS 45 -13.813 7.266 11.343 438 HA LYS 45 HA LYS 45 -12.797 8.272 13.791 439 1HB LYS 45 2HB LYS 45 -14.894 6.964 13.685 440 2HB LYS 45 1HB LYS 45 -13.979 5.540 13.207 441 1HG LYS 45 2HG LYS 45 -12.679 6.006 15.431 442 2HG LYS 45 1HG LYS 45 -14.142 6.890 15.854 443 1HD LYS 45 2HD LYS 45 -14.049 4.006 14.973 444 2HD LYS 45 1HD LYS 45 -14.172 4.553 16.646 445 1HE LYS 45 2HE LYS 45 -16.291 5.696 16.074 446 2HE LYS 45 1HE LYS 45 -16.173 5.041 14.442 447 1HZ LYS 45 1HZ LYS 45 -16.429 3.482 16.953 448 2HZ LYS 45 2HZ LYS 45 -16.197 2.804 15.419 449 3HZ LYS 45 3HZ LYS 45 -17.615 3.671 15.755 450 H GLU 46 HN GLU 46 -12.272 5.089 12.336 451 HA GLU 46 HA GLU 46 -9.570 5.007 13.459 452 1HB GLU 46 2HB GLU 46 -11.156 2.856 12.036 453 2HB GLU 46 1HB GLU 46 -9.613 2.637 12.852 454 1HG GLU 46 2HG GLU 46 -10.634 3.115 14.984 455 2HG GLU 46 1HG GLU 46 -12.174 3.461 14.200 456 H ILE 47 HN ILE 47 -8.065 3.691 11.777 457 HA ILE 47 HA ILE 47 -8.001 5.363 9.426 458 HB ILE 47 HB ILE 47 -5.945 4.203 8.819 459 1HG1 ILE 47 2HG1 ILE 47 -6.365 2.602 11.361 460 2HG1 ILE 47 1HG1 ILE 47 -6.558 1.978 9.724 461 1HG2 ILE 47 1HG2 ILE 47 -6.054 5.093 11.703 462 2HG2 ILE 47 2HG2 ILE 47 -5.803 6.122 10.292 463 3HG2 ILE 47 3HG2 ILE 47 -4.582 4.935 10.747 464 1HD1 ILE 47 1HD1 ILE 47 -4.224 2.231 9.285 465 2HD1 ILE 47 2HD1 ILE 47 -4.413 1.369 10.814 466 3HD1 ILE 47 3HD1 ILE 47 -3.977 3.077 10.815 467 H TYR 48 HN TYR 48 -8.994 4.906 7.638 468 HA TYR 48 HA TYR 48 -10.214 2.315 7.320 469 1HB TYR 48 2HB TYR 48 -11.566 3.366 5.590 470 2HB TYR 48 1HB TYR 48 -11.545 4.336 7.057 471 HD1 TYR 48 1HD TYR 48 -9.060 4.235 4.278 472 HD2 TYR 48 2HD TYR 48 -11.998 6.464 6.376 473 HE1 TYR 48 1HE TYR 48 -8.543 6.198 2.894 474 HE2 TYR 48 2HE TYR 48 -11.481 8.444 5.018 475 HH TYR 48 HH TYR 48 -9.543 9.301 3.667 476 H LEU 49 HN LEU 49 -7.312 3.485 6.585 477 HA LEU 49 HA LEU 49 -7.144 2.367 3.881 478 1HB LEU 49 2HB LEU 49 -5.930 4.675 5.225 479 2HB LEU 49 1HB LEU 49 -4.774 3.687 4.354 480 HG LEU 49 HG LEU 49 -7.280 4.727 3.050 481 1HD1 LEU 49 1HD1 LEU 49 -5.933 6.548 2.158 482 2HD1 LEU 49 2HD1 LEU 49 -4.552 6.012 3.112 483 3HD1 LEU 49 3HD1 LEU 49 -5.993 6.626 3.918 484 1HD2 LEU 49 1HD2 LEU 49 -4.636 3.725 1.996 485 2HD2 LEU 49 2HD2 LEU 49 -5.952 4.365 1.011 486 3HD2 LEU 49 3HD2 LEU 49 -6.183 2.876 1.931 487 H THR 50 HN THR 50 -4.716 2.930 6.391 488 HA THR 50 HA THR 50 -3.290 1.548 7.490 489 HB THR 50 HB THR 50 -5.118 -0.716 6.720 490 HG1 THR 50 1HG THR 50 -6.625 0.290 7.762 491 1HG2 THR 50 1HG2 THR 50 -4.464 -1.635 8.909 492 2HG2 THR 50 2HG2 THR 50 -3.425 -0.234 9.178 493 3HG2 THR 50 3HG2 THR 50 -3.056 -1.370 7.878 494 H ILE 51 HN ILE 51 -3.431 1.839 4.380 495 HA ILE 51 HA ILE 51 -1.527 -0.332 3.781 496 HB ILE 51 HB ILE 51 -2.563 1.389 1.555 497 1HG1 ILE 51 2HG1 ILE 51 -4.178 -0.868 2.771 498 2HG1 ILE 51 1HG1 ILE 51 -4.549 0.838 2.976 499 1HG2 ILE 51 1HG2 ILE 51 -2.407 -0.691 0.326 500 2HG2 ILE 51 2HG2 ILE 51 -2.046 -1.568 1.815 501 3HG2 ILE 51 3HG2 ILE 51 -0.902 -0.379 1.195 502 1HD1 ILE 51 1HD1 ILE 51 -5.955 -0.143 1.278 503 2HD1 ILE 51 2HD1 ILE 51 -4.533 -0.679 0.380 504 3HD1 ILE 51 3HD1 ILE 51 -4.867 1.044 0.558 505 H GLN 52 HN GLN 52 -2.088 3.036 2.749 506 HA GLN 52 HA GLN 52 0.758 3.458 2.513 507 1HB GLN 52 2HB GLN 52 0.160 5.723 1.773 508 2HB GLN 52 1HB GLN 52 -0.665 4.472 0.846 509 1HG GLN 52 2HG GLN 52 -2.681 4.833 2.219 510 2HG GLN 52 1HG GLN 52 -1.849 6.146 3.054 511 1HE2 GLN 52 1HE2 GLN 52 -3.362 7.659 2.340 512 2HE2 GLN 52 2HE2 GLN 52 -3.450 8.179 0.695 513 H GLU 53 HN GLU 53 -1.264 3.465 5.060 514 HA GLU 53 HA GLU 53 0.019 5.701 6.391 515 1HB GLU 53 2HB GLU 53 -1.837 5.809 7.598 516 2HB GLU 53 1HB GLU 53 -2.506 4.622 6.517 517 1HG GLU 53 2HG GLU 53 -2.968 3.536 8.407 518 2HG GLU 53 1HG GLU 53 -1.296 3.012 8.270 519 H GLU 54 HN GLU 54 -0.213 2.201 6.468 520 HA GLU 54 HA GLU 54 1.810 1.671 8.350 521 1HB GLU 54 2HB GLU 54 0.786 0.207 5.912 522 2HB GLU 54 1HB GLU 54 2.110 -0.436 6.884 523 1HG GLU 54 2HG GLU 54 -0.709 0.136 7.796 524 2HG GLU 54 1HG GLU 54 0.008 -1.451 7.518 525 H ASN 55 HN ASN 55 1.800 2.094 4.866 526 HA ASN 55 HA ASN 55 4.673 2.048 4.654 527 1HB ASN 55 2HB ASN 55 3.421 1.077 2.859 528 2HB ASN 55 1HB ASN 55 2.437 2.520 2.682 529 1HD2 ASN 55 1HD2 ASN 55 5.875 2.625 3.138 530 2HD2 ASN 55 2HD2 ASN 55 6.263 3.186 1.544 531 H ASN 56 HN ASN 56 3.041 4.375 2.721 532 HA ASN 56 HA ASN 56 3.412 6.579 2.348 533 1HB ASN 56 2HB ASN 56 2.619 6.613 4.802 534 2HB ASN 56 1HB ASN 56 4.326 6.862 5.183 535 1HD2 ASN 56 1HD2 ASN 56 2.075 8.645 5.624 536 2HD2 ASN 56 2HD2 ASN 56 2.439 10.103 4.773 537 H ARG 57 HN ARG 57 5.847 5.168 4.458 538 HA ARG 57 HA ARG 57 7.991 6.520 2.959 539 1HB ARG 57 2HB ARG 57 9.251 6.097 5.188 540 2HB ARG 57 1HB ARG 57 8.064 7.397 5.123 541 1HG ARG 57 2HG ARG 57 6.394 5.928 6.133 542 2HG ARG 57 1HG ARG 57 7.583 4.627 6.208 543 1HD ARG 57 2HD ARG 57 7.770 7.287 7.616 544 2HD ARG 57 1HD ARG 57 7.324 5.751 8.357 545 HE ARG 57 HE ARG 57 9.881 5.651 7.050 546 1HH1 ARG 57 1HH1 ARG 57 8.231 6.583 10.006 547 2HH1 ARG 57 2HH1 ARG 57 9.655 6.422 10.996 548 1HH2 ARG 57 1HH2 ARG 57 11.741 5.450 8.358 549 2HH2 ARG 57 2HH2 ARG 57 11.649 5.808 10.054 550 H ALA 58 HN ALA 58 7.759 3.698 5.174 551 HA ALA 58 HA ALA 58 9.812 2.394 3.545 552 1HB ALA 58 1HB ALA 58 8.853 1.699 6.315 553 2HB ALA 58 2HB ALA 58 10.265 2.689 5.937 554 3HB ALA 58 3HB ALA 58 10.229 0.986 5.473 555 H ALA 59 HN ALA 59 8.012 2.017 1.984 556 HA ALA 59 HA ALA 59 6.063 0.057 2.313 557 1HB ALA 59 1HB ALA 59 6.243 1.504 0.339 558 2HB ALA 59 2HB ALA 59 6.116 -0.201 -0.100 559 3HB ALA 59 3HB ALA 59 7.679 0.617 -0.173 560 H ALA 60 HN ALA 60 5.966 -2.124 1.786 561 HA ALA 60 HA ALA 60 8.506 -3.574 1.452 562 1HB ALA 60 1HB ALA 60 7.620 -5.388 2.837 563 2HB ALA 60 2HB ALA 60 6.157 -4.451 3.143 564 3HB ALA 60 3HB ALA 60 7.714 -3.884 3.751 565 H LEU 61 HN LEU 61 8.310 -5.525 0.162 566 HA LEU 61 HA LEU 61 5.884 -5.502 -1.514 567 1HB LEU 61 2HB LEU 61 8.743 -5.799 -2.435 568 2HB LEU 61 1HB LEU 61 7.337 -6.001 -3.461 569 HG LEU 61 HG LEU 61 8.119 -3.434 -2.074 570 1HD1 LEU 61 1HD1 LEU 61 9.668 -4.055 -3.864 571 2HD1 LEU 61 2HD1 LEU 61 8.695 -2.651 -4.308 572 3HD1 LEU 61 3HD1 LEU 61 8.309 -4.236 -4.976 573 1HD2 LEU 61 1HD2 LEU 61 5.700 -3.660 -2.387 574 2HD2 LEU 61 2HD2 LEU 61 5.953 -4.010 -4.097 575 3HD2 LEU 61 3HD2 LEU 61 6.374 -2.424 -3.451 576 H SER 62 HN SER 62 5.707 -7.467 -2.893 577 HA SER 62 HA SER 62 5.280 -9.675 -3.080 578 1HB SER 62 2HB SER 62 8.183 -9.819 -2.269 579 2HB SER 62 1HB SER 62 7.292 -11.036 -3.181 580 HG SER 62 HG SER 62 7.716 -9.938 -4.909 581 H SER 63 HN SER 63 7.665 -10.164 -0.507 582 HA SER 63 HA SER 63 6.354 -12.427 0.451 583 1HB SER 63 2HB SER 63 8.398 -10.713 1.860 584 2HB SER 63 1HB SER 63 8.005 -12.387 2.250 585 HG SER 63 HG SER 63 8.974 -13.070 0.441 586 H ASP 64 HN ASP 64 5.570 -9.186 1.091 587 HA ASP 64 HA ASP 64 3.985 -8.233 2.420 588 1HB ASP 64 2HB ASP 64 2.828 -10.438 1.523 589 2HB ASP 64 1HB ASP 64 2.976 -10.958 3.196 590 H VAL 65 HN VAL 65 6.511 -8.871 3.442 591 HA VAL 65 HA VAL 65 6.520 -9.982 6.018 592 HB VAL 65 HB VAL 65 8.273 -7.739 5.096 593 1HG1 VAL 65 1HG1 VAL 65 9.987 -8.861 6.475 594 2HG1 VAL 65 2HG1 VAL 65 8.780 -10.051 6.962 595 3HG1 VAL 65 3HG1 VAL 65 8.580 -8.357 7.413 596 1HG2 VAL 65 1HG2 VAL 65 9.792 -9.442 4.137 597 2HG2 VAL 65 2HG2 VAL 65 8.246 -9.339 3.295 598 3HG2 VAL 65 3HG2 VAL 65 8.549 -10.661 4.422 599 H ILE 66 HN ILE 66 5.523 -6.928 4.791 600 HA ILE 66 HA ILE 66 4.539 -5.101 5.723 601 HB ILE 66 HB ILE 66 4.999 -6.310 8.459 602 1HG1 ILE 66 2HG1 ILE 66 2.503 -6.481 6.753 603 2HG1 ILE 66 1HG1 ILE 66 3.688 -7.781 6.889 604 1HG2 ILE 66 1HG2 ILE 66 3.118 -4.835 9.086 605 2HG2 ILE 66 2HG2 ILE 66 3.123 -4.172 7.452 606 3HG2 ILE 66 3HG2 ILE 66 4.521 -3.939 8.502 607 1HD1 ILE 66 1HD1 ILE 66 1.772 -8.158 8.337 608 2HD1 ILE 66 2HD1 ILE 66 2.069 -6.620 9.147 609 3HD1 ILE 66 3HD1 ILE 66 3.244 -7.930 9.282 610 H SER 67 HN SER 67 7.371 -6.346 7.409 611 HA SER 67 HA SER 67 9.397 -5.493 7.868 612 1HB SER 67 2HB SER 67 8.464 -3.366 5.962 613 2HB SER 67 1HB SER 67 10.099 -3.412 6.625 614 HG SER 67 HG SER 67 10.304 -4.555 4.803 615 H ALA 68 HN ALA 68 7.445 -2.500 7.677 616 HA ALA 68 HA ALA 68 8.390 -1.703 10.307 617 1HB ALA 68 1HB ALA 68 6.392 -0.397 8.454 618 2HB ALA 68 2HB ALA 68 8.110 -0.011 8.559 619 3HB ALA 68 3HB ALA 68 7.050 0.313 9.930 620 H LEU 69 HN LEU 69 7.474 -2.422 12.083 621 HA LEU 69 HA LEU 69 6.015 -3.385 13.522 622 1HB LEU 69 2HB LEU 69 3.956 -1.909 11.878 623 2HB LEU 69 1HB LEU 69 3.720 -2.543 13.497 624 HG LEU 69 HG LEU 69 5.682 -0.369 12.761 625 1HD1 LEU 69 1HD1 LEU 69 3.014 -0.205 14.165 626 2HD1 LEU 69 2HD1 LEU 69 3.371 0.381 12.541 627 3HD1 LEU 69 3HD1 LEU 69 4.148 1.127 13.936 628 1HD2 LEU 69 1HD2 LEU 69 5.869 -0.072 15.196 629 2HD2 LEU 69 2HD2 LEU 69 6.418 -1.666 14.679 630 3HD2 LEU 69 3HD2 LEU 69 4.837 -1.481 15.438 631 H SER 70 HN SER 70 6.842 -5.147 11.778 632 HA SER 70 HA SER 70 4.991 -6.431 10.111 633 1HB SER 70 2HB SER 70 7.392 -6.895 10.042 634 2HB SER 70 1HB SER 70 7.328 -7.585 11.663 635 HG SER 70 HG SER 70 6.239 -8.596 9.252 636 H SER 71 HN SER 71 5.413 -6.492 13.572 637 HA SER 71 HA SER 71 3.416 -8.621 13.804 638 1HB SER 71 2HB SER 71 5.163 -7.337 15.923 639 2HB SER 71 1HB SER 71 4.065 -8.691 16.184 640 HG SER 71 HG SER 71 5.386 -9.683 14.367 641 H GLN 72 HN GLN 72 2.659 -6.070 12.827 642 HA GLN 72 HA GLN 72 1.475 -4.363 14.654 643 1HB GLN 72 2HB GLN 72 -0.169 -3.872 12.807 644 2HB GLN 72 1HB GLN 72 1.525 -3.735 12.361 645 1HG GLN 72 2HG GLN 72 1.448 -5.889 11.258 646 2HG GLN 72 1HG GLN 72 -0.227 -6.113 11.772 647 1HE2 GLN 72 1HE2 GLN 72 -0.843 -3.259 11.287 648 2HE2 GLN 72 2HE2 GLN 72 -0.957 -3.097 9.571 649 H LYS 73 HN LYS 73 -0.116 -4.550 16.057 650 HA LYS 73 HA LYS 73 -1.624 -7.051 16.054 651 1HB LYS 73 2HB LYS 73 -1.876 -6.763 18.439 652 2HB LYS 73 1HB LYS 73 -0.187 -6.593 17.997 653 1HG LYS 73 2HG LYS 73 -1.966 -4.214 18.405 654 2HG LYS 73 1HG LYS 73 -1.093 -4.985 19.729 655 1HD LYS 73 2HD LYS 73 1.022 -4.595 18.551 656 2HD LYS 73 1HD LYS 73 0.140 -3.818 17.235 657 1HE LYS 73 2HE LYS 73 1.103 -2.149 18.721 658 2HE LYS 73 1HE LYS 73 -0.657 -2.101 18.789 659 1HZ LYS 73 1HZ LYS 73 1.023 -3.546 20.765 660 2HZ LYS 73 2HZ LYS 73 -0.643 -3.234 20.862 661 3HZ LYS 73 3HZ LYS 73 0.467 -1.961 20.989 662 H LYS 74 HN LYS 74 -3.750 -7.113 15.899 663 HA LYS 74 HA LYS 74 -5.319 -4.730 16.529 664 1HB LYS 74 2HB LYS 74 -5.553 -6.356 13.996 665 2HB LYS 74 1HB LYS 74 -6.837 -5.311 14.578 666 1HG LYS 74 2HG LYS 74 -5.223 -3.405 14.468 667 2HG LYS 74 1HG LYS 74 -4.086 -4.500 13.676 668 1HD LYS 74 2HD LYS 74 -5.336 -3.178 12.037 669 2HD LYS 74 1HD LYS 74 -5.702 -4.899 11.888 670 1HE LYS 74 2HE LYS 74 -7.737 -4.522 13.263 671 2HE LYS 74 1HE LYS 74 -7.391 -2.796 13.237 672 1HZ LYS 74 1HZ LYS 74 -9.031 -3.519 11.557 673 2HZ LYS 74 2HZ LYS 74 -7.829 -4.449 10.809 674 3HZ LYS 74 3HZ LYS 74 -7.677 -2.759 10.876 Start of MODEL 13 1 H HIS -9 H HIS -9 19.409 14.555 -17.903 2 HA HIS -9 HA HIS -9 18.383 14.107 -20.026 3 1HB HIS -9 2HB HIS -9 18.035 11.315 -18.900 4 2HB HIS -9 1HB HIS -9 17.256 11.911 -20.359 5 HD1 HIS -9 1HD HIS -9 20.275 10.261 -19.163 6 HD2 HIS -9 2HD HIS -9 19.182 12.531 -22.480 7 HE1 HIS -9 1HE HIS -9 22.056 9.849 -20.893 8 HE2 HIS -9 2HE HIS -9 21.492 11.405 -22.791 9 H SER -8 HN SER -8 17.014 12.174 -17.356 10 HA SER -8 HA SER -8 15.018 14.273 -16.947 11 1HB SER -8 2HB SER -8 13.249 12.452 -16.875 12 2HB SER -8 1HB SER -8 13.888 12.835 -18.473 13 HG SER -8 HG SER -8 13.755 10.567 -18.064 14 H SER -7 HN SER -7 17.331 13.330 -15.394 15 HA SER -7 HA SER -7 16.283 11.763 -13.221 16 1HB SER -7 2HB SER -7 18.708 11.779 -13.972 17 2HB SER -7 1HB SER -7 18.846 13.376 -13.236 18 HG SER -7 HG SER -7 17.932 11.089 -11.811 19 H GLY -6 HN GLY -6 16.065 14.985 -14.129 20 1HA GLY -6 2HA GLY -6 15.775 16.132 -11.502 21 2HA GLY -6 1HA GLY -6 15.318 16.883 -13.028 22 H HIS -5 HN HIS -5 14.045 13.869 -12.997 23 HA HIS -5 HA HIS -5 11.354 14.705 -12.603 24 1HB HIS -5 2HB HIS -5 11.857 12.917 -14.152 25 2HB HIS -5 1HB HIS -5 12.665 11.988 -12.903 26 HD1 HIS -5 1HD HIS -5 9.299 12.756 -14.316 27 HD2 HIS -5 2HD HIS -5 10.956 10.599 -11.177 28 HE1 HIS -5 1HE HIS -5 7.462 11.275 -13.467 29 HE2 HIS -5 2HE HIS -5 8.569 9.798 -11.758 30 H ILE -4 HN ILE -4 10.188 14.742 -10.745 31 HA ILE -4 HA ILE -4 11.594 14.187 -8.308 32 HB ILE -4 HB ILE -4 9.811 15.162 -7.104 33 1HG1 ILE -4 2HG1 ILE -4 7.934 13.982 -8.205 34 2HG1 ILE -4 1HG1 ILE -4 7.622 15.703 -8.004 35 1HG2 ILE -4 1HG2 ILE -4 9.507 17.327 -8.208 36 2HG2 ILE -4 2HG2 ILE -4 10.106 16.629 -9.714 37 3HG2 ILE -4 3HG2 ILE -4 11.170 16.747 -8.313 38 1HD1 ILE -4 1HD1 ILE -4 8.164 16.070 -10.361 39 2HD1 ILE -4 2HD1 ILE -4 6.844 14.918 -10.162 40 3HD1 ILE -4 3HD1 ILE -4 8.465 14.344 -10.555 41 H GLU -3 HN GLU -3 11.417 12.527 -7.002 42 HA GLU -3 HA GLU -3 9.243 10.602 -7.455 43 1HB GLU -3 2HB GLU -3 12.137 10.016 -6.783 44 2HB GLU -3 1HB GLU -3 10.850 8.816 -6.740 45 1HG GLU -3 2HG GLU -3 10.458 9.119 -9.119 46 2HG GLU -3 1HG GLU -3 11.706 10.364 -9.179 47 H GLY -2 HN GLY -2 9.549 9.004 -5.268 48 1HA GLY -2 2HA GLY -2 9.864 9.347 -2.822 49 2HA GLY -2 1HA GLY -2 9.234 10.971 -3.083 50 H ARG -1 HN ARG -1 7.770 8.586 -4.970 51 HA ARG -1 HA ARG -1 5.322 8.892 -3.428 52 1HB ARG -1 2HB ARG -1 4.149 8.101 -5.311 53 2HB ARG -1 1HB ARG -1 5.445 9.074 -5.995 54 1HG ARG -1 2HG ARG -1 6.700 7.130 -6.573 55 2HG ARG -1 1HG ARG -1 5.586 6.088 -5.680 56 1HD ARG -1 2HD ARG -1 5.165 5.936 -8.066 57 2HD ARG -1 1HD ARG -1 3.795 6.670 -7.240 58 HE ARG -1 HE ARG -1 5.756 8.462 -8.445 59 1HH1 ARG -1 1HH1 ARG -1 2.591 6.944 -8.572 60 2HH1 ARG -1 2HH1 ARG -1 2.005 8.006 -9.820 61 1HH2 ARG -1 1HH2 ARG -1 4.976 9.860 -10.059 62 2HH2 ARG -1 2HH2 ARG -1 3.360 9.660 -10.675 63 H HIS 0 HN HIS 0 3.967 6.842 -3.215 64 HA HIS 0 HA HIS 0 5.673 4.543 -2.645 65 1HB HIS 0 2HB HIS 0 4.499 4.221 -0.453 66 2HB HIS 0 1HB HIS 0 5.578 5.607 -0.513 67 HD1 HIS 0 1HD HIS 0 4.622 7.579 0.595 68 HD2 HIS 0 2HD HIS 0 1.685 5.180 -1.078 69 HE1 HIS 0 1HE HIS 0 2.438 8.696 1.157 70 HE2 HIS 0 2HE HIS 0 0.669 7.122 0.300 71 H MET 1 HN MET 1 4.869 2.755 -3.403 72 HA MET 1 HA MET 1 1.951 2.515 -3.669 73 1HB MET 1 2HB MET 1 3.001 2.355 -5.845 74 2HB MET 1 1HB MET 1 4.164 1.186 -5.246 75 1HG MET 1 2HG MET 1 2.272 -0.378 -4.824 76 2HG MET 1 1HG MET 1 1.211 0.785 -5.620 77 1HE MET 1 1HE MET 1 1.364 1.430 -8.168 78 2HE MET 1 2HE MET 1 2.595 0.816 -9.271 79 3HE MET 1 3HE MET 1 3.050 1.903 -7.959 80 H LEU 2 HN LEU 2 1.170 1.364 -2.013 81 HA LEU 2 HA LEU 2 2.931 -0.649 -0.813 82 1HB LEU 2 2HB LEU 2 1.855 1.170 0.620 83 2HB LEU 2 1HB LEU 2 0.325 0.359 0.327 84 HG LEU 2 HG LEU 2 1.508 -0.157 2.536 85 1HD1 LEU 2 1HD1 LEU 2 0.898 -2.516 2.517 86 2HD1 LEU 2 2HD1 LEU 2 0.803 -2.485 0.755 87 3HD1 LEU 2 3HD1 LEU 2 -0.329 -1.536 1.718 88 1HD2 LEU 2 1HD2 LEU 2 3.237 -1.809 0.710 89 2HD2 LEU 2 2HD2 LEU 2 3.234 -1.865 2.473 90 3HD2 LEU 2 3HD2 LEU 2 3.753 -0.401 1.638 91 H VAL 3 HN VAL 3 2.667 -2.597 -1.420 92 HA VAL 3 HA VAL 3 0.347 -3.451 -2.859 93 HB VAL 3 HB VAL 3 1.690 -5.638 -2.868 94 1HG1 VAL 3 1HG1 VAL 3 1.525 -4.119 -4.773 95 2HG1 VAL 3 2HG1 VAL 3 3.139 -4.824 -4.659 96 3HG1 VAL 3 3HG1 VAL 3 2.859 -3.165 -4.126 97 1HG2 VAL 3 1HG2 VAL 3 4.036 -5.506 -2.377 98 2HG2 VAL 3 2HG2 VAL 3 3.139 -5.014 -0.940 99 3HG2 VAL 3 3HG2 VAL 3 3.896 -3.797 -1.965 100 H LEU 4 HN LEU 4 -1.343 -4.344 -1.994 101 HA LEU 4 HA LEU 4 -1.153 -5.591 0.663 102 1HB LEU 4 2HB LEU 4 -3.183 -3.940 -0.675 103 2HB LEU 4 1HB LEU 4 -3.846 -5.387 0.047 104 HG LEU 4 HG LEU 4 -2.524 -3.042 1.390 105 1HD1 LEU 4 1HD1 LEU 4 -4.906 -2.925 1.039 106 2HD1 LEU 4 2HD1 LEU 4 -4.559 -3.133 2.757 107 3HD1 LEU 4 3HD1 LEU 4 -5.124 -4.502 1.798 108 1HD2 LEU 4 1HD2 LEU 4 -2.934 -5.801 2.540 109 2HD2 LEU 4 2HD2 LEU 4 -2.669 -4.353 3.512 110 3HD2 LEU 4 3HD2 LEU 4 -1.416 -4.912 2.405 111 H SER 5 HN SER 5 -1.413 -7.735 0.753 112 HA SER 5 HA SER 5 -1.723 -9.110 -1.786 113 1HB SER 5 2HB SER 5 -1.050 -10.216 0.949 114 2HB SER 5 1HB SER 5 -0.855 -11.042 -0.598 115 HG SER 5 HG SER 5 1.030 -10.125 -0.754 116 H ARG 6 HN ARG 6 -3.772 -9.435 -2.384 117 HA ARG 6 HA ARG 6 -5.618 -10.701 -0.538 118 1HB ARG 6 2HB ARG 6 -5.856 -8.181 -0.261 119 2HB ARG 6 1HB ARG 6 -6.416 -8.134 -1.927 120 1HG ARG 6 2HG ARG 6 -8.303 -9.523 -1.380 121 2HG ARG 6 1HG ARG 6 -7.709 -9.736 0.267 122 1HD ARG 6 2HD ARG 6 -7.939 -7.308 0.633 123 2HD ARG 6 1HD ARG 6 -8.608 -7.145 -0.992 124 HE ARG 6 HE ARG 6 -10.035 -9.074 0.556 125 1HH1 ARG 6 1HH1 ARG 6 -9.681 -5.611 0.075 126 2HH1 ARG 6 2HH1 ARG 6 -11.304 -5.256 0.572 127 1HH2 ARG 6 1HH2 ARG 6 -12.133 -8.605 1.241 128 2HH2 ARG 6 2HH2 ARG 6 -12.704 -6.963 1.257 129 H LYS 7 HN LYS 7 -6.713 -12.209 -1.623 130 HA LYS 7 HA LYS 7 -5.984 -12.382 -4.452 131 1HB LYS 7 2HB LYS 7 -6.922 -14.522 -2.531 132 2HB LYS 7 1HB LYS 7 -6.462 -14.802 -4.206 133 1HG LYS 7 2HG LYS 7 -4.530 -15.374 -3.112 134 2HG LYS 7 1HG LYS 7 -4.220 -13.678 -3.481 135 1HD LYS 7 2HD LYS 7 -5.435 -13.440 -1.080 136 2HD LYS 7 1HD LYS 7 -4.671 -15.009 -0.889 137 1HE LYS 7 2HE LYS 7 -2.513 -14.025 -1.499 138 2HE LYS 7 1HE LYS 7 -3.271 -12.429 -1.655 139 1HZ LYS 7 1HZ LYS 7 -2.182 -12.773 0.520 140 2HZ LYS 7 2HZ LYS 7 -3.214 -14.079 0.833 141 3HZ LYS 7 3HZ LYS 7 -3.849 -12.516 0.692 142 H ILE 8 HN ILE 8 -7.973 -10.661 -3.874 143 HA ILE 8 HA ILE 8 -10.415 -11.977 -4.853 144 HB ILE 8 HB ILE 8 -10.304 -9.218 -3.641 145 1HG1 ILE 8 2HG1 ILE 8 -9.359 -10.818 -1.992 146 2HG1 ILE 8 1HG1 ILE 8 -10.895 -10.132 -1.470 147 1HG2 ILE 8 1HG2 ILE 8 -12.294 -9.789 -4.903 148 2HG2 ILE 8 2HG2 ILE 8 -12.676 -9.651 -3.188 149 3HG2 ILE 8 3HG2 ILE 8 -12.519 -11.243 -3.930 150 1HD1 ILE 8 1HD1 ILE 8 -10.778 -12.487 -0.950 151 2HD1 ILE 8 2HD1 ILE 8 -10.481 -12.868 -2.646 152 3HD1 ILE 8 3HD1 ILE 8 -12.032 -12.186 -2.152 153 H ASN 9 HN ASN 9 -7.872 -9.787 -5.410 154 HA ASN 9 HA ASN 9 -7.495 -8.020 -6.790 155 1HB ASN 9 2HB ASN 9 -7.974 -8.729 -9.270 156 2HB ASN 9 1HB ASN 9 -6.720 -9.525 -8.328 157 1HD2 ASN 9 1HD2 ASN 9 -9.866 -9.843 -9.764 158 2HD2 ASN 9 2HD2 ASN 9 -9.977 -11.563 -9.592 159 H GLU 10 HN GLU 10 -9.826 -7.619 -5.487 160 HA GLU 10 HA GLU 10 -11.744 -6.542 -7.359 161 1HB GLU 10 2HB GLU 10 -12.875 -5.724 -5.277 162 2HB GLU 10 1HB GLU 10 -12.631 -7.465 -5.317 163 1HG GLU 10 2HG GLU 10 -10.826 -7.341 -3.783 164 2HG GLU 10 1HG GLU 10 -10.767 -5.583 -3.891 165 H ALA 11 HN ALA 11 -12.427 -4.165 -6.162 166 HA ALA 11 HA ALA 11 -10.018 -2.538 -6.666 167 1HB ALA 11 1HB ALA 11 -12.929 -1.795 -7.027 168 2HB ALA 11 2HB ALA 11 -11.800 -2.207 -8.318 169 3HB ALA 11 3HB ALA 11 -11.546 -0.751 -7.356 170 H ILE 12 HN ILE 12 -9.434 -1.008 -5.168 171 HA ILE 12 HA ILE 12 -10.929 -1.161 -2.646 172 HB ILE 12 HB ILE 12 -8.036 -0.393 -3.054 173 1HG1 ILE 12 2HG1 ILE 12 -8.424 -2.759 -3.553 174 2HG1 ILE 12 1HG1 ILE 12 -7.524 -2.578 -2.053 175 1HG2 ILE 12 1HG2 ILE 12 -9.616 -0.895 -0.537 176 2HG2 ILE 12 2HG2 ILE 12 -9.007 0.664 -1.095 177 3HG2 ILE 12 3HG2 ILE 12 -7.879 -0.604 -0.612 178 1HD1 ILE 12 1HD1 ILE 12 -10.470 -3.143 -2.273 179 2HD1 ILE 12 2HD1 ILE 12 -9.550 -2.996 -0.776 180 3HD1 ILE 12 3HD1 ILE 12 -9.214 -4.319 -1.892 181 H GLN 13 HN GLN 13 -12.256 0.478 -2.483 182 HA GLN 13 HA GLN 13 -11.140 3.177 -2.790 183 1HB GLN 13 2HB GLN 13 -12.774 2.971 -4.508 184 2HB GLN 13 1HB GLN 13 -13.914 2.181 -3.431 185 1HG GLN 13 2HG GLN 13 -14.482 4.529 -4.008 186 2HG GLN 13 1HG GLN 13 -14.365 4.205 -2.283 187 1HE2 GLN 13 1HE2 GLN 13 -12.821 5.745 -5.012 188 2HE2 GLN 13 2HE2 GLN 13 -11.818 6.804 -4.090 189 H ILE 14 HN ILE 14 -10.703 3.824 -0.829 190 HA ILE 14 HA ILE 14 -12.712 3.353 1.256 191 HB ILE 14 HB ILE 14 -10.856 3.662 2.920 192 1HG1 ILE 14 2HG1 ILE 14 -9.274 4.615 1.089 193 2HG1 ILE 14 1HG1 ILE 14 -8.600 3.571 2.332 194 1HG2 ILE 14 1HG2 ILE 14 -10.120 1.344 2.760 195 2HG2 ILE 14 2HG2 ILE 14 -10.675 1.278 1.087 196 3HG2 ILE 14 3HG2 ILE 14 -11.840 1.494 2.394 197 1HD1 ILE 14 1HD1 ILE 14 -7.693 3.024 0.158 198 2HD1 ILE 14 2HD1 ILE 14 -9.318 2.759 -0.474 199 3HD1 ILE 14 3HD1 ILE 14 -8.671 1.688 0.767 200 H GLY 15 HN GLY 15 -13.747 5.024 1.917 201 1HA GLY 15 2HA GLY 15 -14.161 7.126 2.746 202 2HA GLY 15 1HA GLY 15 -12.460 7.514 2.534 203 H ALA 16 HN ALA 16 -11.808 7.642 0.190 204 HA ALA 16 HA ALA 16 -13.321 8.292 -1.956 205 1HB ALA 16 1HB ALA 16 -13.533 10.741 -1.938 206 2HB ALA 16 2HB ALA 16 -12.922 10.784 -0.283 207 3HB ALA 16 3HB ALA 16 -14.472 10.016 -0.631 208 H ASP 17 HN ASP 17 -10.655 9.013 0.093 209 HA ASP 17 HA ASP 17 -9.092 10.466 -1.767 210 1HB ASP 17 2HB ASP 17 -8.709 9.426 0.976 211 2HB ASP 17 1HB ASP 17 -7.244 9.588 0.004 212 H ILE 18 HN ILE 18 -9.460 7.032 -1.102 213 HA ILE 18 HA ILE 18 -7.202 6.617 -2.950 214 HB ILE 18 HB ILE 18 -7.888 4.896 -0.568 215 1HG1 ILE 18 2HG1 ILE 18 -6.715 6.989 -0.003 216 2HG1 ILE 18 1HG1 ILE 18 -5.697 5.582 0.277 217 1HG2 ILE 18 1HG2 ILE 18 -5.915 3.577 -1.196 218 2HG2 ILE 18 2HG2 ILE 18 -5.735 4.553 -2.655 219 3HG2 ILE 18 3HG2 ILE 18 -7.158 3.535 -2.447 220 1HD1 ILE 18 1HD1 ILE 18 -4.512 6.020 -1.803 221 2HD1 ILE 18 2HD1 ILE 18 -4.448 7.411 -0.722 222 3HD1 ILE 18 3HD1 ILE 18 -5.546 7.417 -2.103 223 H GLU 19 HN GLU 19 -8.170 6.203 -4.760 224 HA GLU 19 HA GLU 19 -9.899 3.813 -4.900 225 1HB GLU 19 2HB GLU 19 -11.027 5.866 -5.675 226 2HB GLU 19 1HB GLU 19 -9.701 6.182 -6.784 227 1HG GLU 19 2HG GLU 19 -11.388 5.290 -8.113 228 2HG GLU 19 1HG GLU 19 -10.277 3.946 -7.852 229 H VAL 20 HN VAL 20 -8.628 2.103 -5.563 230 HA VAL 20 HA VAL 20 -7.230 2.160 -8.002 231 HB VAL 20 HB VAL 20 -5.665 3.628 -6.852 232 1HG1 VAL 20 1HG1 VAL 20 -4.305 2.823 -4.975 233 2HG1 VAL 20 2HG1 VAL 20 -5.283 1.355 -4.910 234 3HG1 VAL 20 3HG1 VAL 20 -6.020 2.920 -4.564 235 1HG2 VAL 20 1HG2 VAL 20 -3.593 2.387 -7.271 236 2HG2 VAL 20 2HG2 VAL 20 -4.778 2.144 -8.555 237 3HG2 VAL 20 3HG2 VAL 20 -4.516 0.886 -7.346 238 H LYS 21 HN LYS 21 -6.967 0.156 -8.712 239 HA LYS 21 HA LYS 21 -6.059 -1.881 -6.831 240 1HB LYS 21 2HB LYS 21 -7.289 -3.496 -8.541 241 2HB LYS 21 1HB LYS 21 -8.083 -2.853 -7.119 242 1HG LYS 21 2HG LYS 21 -9.615 -2.653 -8.905 243 2HG LYS 21 1HG LYS 21 -9.020 -1.028 -8.570 244 1HD LYS 21 2HD LYS 21 -7.441 -1.263 -10.459 245 2HD LYS 21 1HD LYS 21 -8.139 -2.843 -10.810 246 1HE LYS 21 2HE LYS 21 -9.100 -1.193 -12.279 247 2HE LYS 21 1HE LYS 21 -10.331 -1.770 -11.155 248 1HZ LYS 21 1HZ LYS 21 -10.241 0.700 -11.551 249 2HZ LYS 21 2HZ LYS 21 -8.787 0.718 -10.682 250 3HZ LYS 21 3HZ LYS 21 -10.221 0.218 -9.926 251 H VAL 22 HN VAL 22 -3.973 -1.776 -7.353 252 HA VAL 22 HA VAL 22 -3.266 -2.264 -10.166 253 HB VAL 22 HB VAL 22 -1.486 -1.378 -7.881 254 1HG1 VAL 22 1HG1 VAL 22 -0.833 -1.805 -10.797 255 2HG1 VAL 22 2HG1 VAL 22 -0.255 -2.775 -9.442 256 3HG1 VAL 22 3HG1 VAL 22 0.250 -1.092 -9.600 257 1HG2 VAL 22 1HG2 VAL 22 -1.319 0.734 -9.111 258 2HG2 VAL 22 2HG2 VAL 22 -2.983 0.390 -8.646 259 3HG2 VAL 22 3HG2 VAL 22 -2.459 0.127 -10.310 260 H ILE 23 HN ILE 23 -3.178 -4.355 -10.582 261 HA ILE 23 HA ILE 23 -2.607 -6.205 -8.414 262 HB ILE 23 HB ILE 23 -3.539 -6.752 -11.232 263 1HG1 ILE 23 2HG1 ILE 23 -5.165 -6.821 -8.686 264 2HG1 ILE 23 1HG1 ILE 23 -5.071 -5.378 -9.694 265 1HG2 ILE 23 1HG2 ILE 23 -4.143 -8.966 -10.375 266 2HG2 ILE 23 2HG2 ILE 23 -3.454 -8.545 -8.806 267 3HG2 ILE 23 3HG2 ILE 23 -2.410 -8.669 -10.224 268 1HD1 ILE 23 1HD1 ILE 23 -6.057 -6.608 -11.548 269 2HD1 ILE 23 2HD1 ILE 23 -7.091 -6.692 -10.121 270 3HD1 ILE 23 3HD1 ILE 23 -6.094 -8.075 -10.572 271 H ALA 24 HN ALA 24 -0.757 -7.240 -8.195 272 HA ALA 24 HA ALA 24 1.207 -7.001 -10.368 273 1HB ALA 24 1HB ALA 24 2.935 -6.486 -8.737 274 2HB ALA 24 2HB ALA 24 1.752 -6.575 -7.434 275 3HB ALA 24 3HB ALA 24 1.628 -5.305 -8.652 276 H VAL 25 HN VAL 25 3.290 -8.314 -9.516 277 HA VAL 25 HA VAL 25 2.283 -11.041 -9.487 278 HB VAL 25 HB VAL 25 5.105 -10.063 -9.954 279 1HG1 VAL 25 1HG1 VAL 25 5.002 -12.400 -9.268 280 2HG1 VAL 25 2HG1 VAL 25 5.454 -12.265 -10.967 281 3HG1 VAL 25 3HG1 VAL 25 3.812 -12.727 -10.527 282 1HG2 VAL 25 1HG2 VAL 25 3.572 -9.159 -11.627 283 2HG2 VAL 25 2HG2 VAL 25 2.969 -10.784 -11.960 284 3HG2 VAL 25 3HG2 VAL 25 4.643 -10.371 -12.333 285 H GLU 26 HN GLU 26 2.168 -12.116 -7.671 286 HA GLU 26 HA GLU 26 4.143 -11.617 -5.535 287 1HB GLU 26 2HB GLU 26 1.687 -11.125 -5.049 288 2HB GLU 26 1HB GLU 26 1.392 -12.846 -5.262 289 1HG GLU 26 2HG GLU 26 1.542 -12.677 -2.988 290 2HG GLU 26 1HG GLU 26 3.189 -13.133 -3.415 291 H GLY 27 HN GLY 27 4.416 -13.282 -7.883 292 1HA GLY 27 2HA GLY 27 5.479 -15.350 -8.219 293 2HA GLY 27 1HA GLY 27 4.913 -15.865 -6.635 294 H ASP 28 HN ASP 28 2.742 -16.527 -6.395 295 HA ASP 28 HA ASP 28 1.253 -17.045 -8.875 296 1HB ASP 28 2HB ASP 28 1.733 -18.984 -6.601 297 2HB ASP 28 1HB ASP 28 0.472 -19.213 -7.806 298 H GLN 29 HN GLN 29 1.265 -15.122 -6.636 299 HA GLN 29 HA GLN 29 -1.424 -15.539 -5.515 300 1HB GLN 29 2HB GLN 29 0.321 -15.690 -3.845 301 2HB GLN 29 1HB GLN 29 1.023 -14.185 -4.411 302 1HG GLN 29 2HG GLN 29 -0.790 -12.922 -3.557 303 2HG GLN 29 1HG GLN 29 -1.707 -14.388 -3.193 304 1HE2 GLN 29 1HE2 GLN 29 -0.599 -12.138 -1.534 305 2HE2 GLN 29 2HE2 GLN 29 0.242 -12.935 -0.254 306 H VAL 30 HN VAL 30 -2.811 -13.711 -5.498 307 HA VAL 30 HA VAL 30 -1.848 -11.546 -7.215 308 HB VAL 30 HB VAL 30 -4.262 -11.066 -7.723 309 1HG1 VAL 30 1HG1 VAL 30 -4.519 -12.963 -9.298 310 2HG1 VAL 30 2HG1 VAL 30 -3.161 -13.763 -8.505 311 3HG1 VAL 30 3HG1 VAL 30 -2.916 -12.230 -9.345 312 1HG2 VAL 30 1HG2 VAL 30 -5.291 -12.154 -5.826 313 2HG2 VAL 30 2HG2 VAL 30 -4.680 -13.721 -6.358 314 3HG2 VAL 30 3HG2 VAL 30 -5.890 -12.872 -7.323 315 H LYS 31 HN LYS 31 -1.778 -9.609 -6.536 316 HA LYS 31 HA LYS 31 -3.132 -8.870 -4.057 317 1HB LYS 31 2HB LYS 31 -1.077 -8.081 -3.102 318 2HB LYS 31 1HB LYS 31 -0.827 -9.753 -3.640 319 1HG LYS 31 2HG LYS 31 0.144 -8.804 -5.753 320 2HG LYS 31 1HG LYS 31 0.052 -7.208 -5.018 321 1HD LYS 31 2HD LYS 31 1.658 -9.564 -4.059 322 2HD LYS 31 1HD LYS 31 2.275 -8.073 -4.773 323 1HE LYS 31 2HE LYS 31 1.295 -6.817 -2.879 324 2HE LYS 31 1HE LYS 31 0.835 -8.358 -2.150 325 1HZ LYS 31 1HZ LYS 31 2.941 -7.525 -1.267 326 2HZ LYS 31 2HZ LYS 31 3.621 -7.559 -2.819 327 3HZ LYS 31 3HZ LYS 31 3.141 -9.005 -2.069 328 H LEU 32 HN LEU 32 -3.546 -6.640 -3.891 329 HA LEU 32 HA LEU 32 -3.129 -5.101 -6.354 330 1HB LEU 32 2HB LEU 32 -4.690 -3.455 -5.271 331 2HB LEU 32 1HB LEU 32 -5.418 -4.984 -5.710 332 HG LEU 32 HG LEU 32 -4.589 -5.360 -3.067 333 1HD1 LEU 32 1HD1 LEU 32 -5.758 -2.601 -3.372 334 2HD1 LEU 32 2HD1 LEU 32 -4.120 -2.989 -2.844 335 3HD1 LEU 32 3HD1 LEU 32 -5.500 -3.457 -1.850 336 1HD2 LEU 32 1HD2 LEU 32 -7.295 -4.522 -4.109 337 2HD2 LEU 32 2HD2 LEU 32 -6.979 -5.323 -2.571 338 3HD2 LEU 32 3HD2 LEU 32 -6.661 -6.166 -4.086 339 H GLY 33 HN GLY 33 -2.474 -2.810 -6.075 340 1HA GLY 33 2HA GLY 33 -1.008 -2.301 -3.580 341 2HA GLY 33 1HA GLY 33 -0.190 -2.107 -5.127 342 H ILE 34 HN ILE 34 -1.426 -0.339 -2.775 343 HA ILE 34 HA ILE 34 -2.818 1.545 -4.518 344 HB ILE 34 HB ILE 34 -3.546 2.738 -2.611 345 1HG1 ILE 34 2HG1 ILE 34 -2.159 1.069 -0.588 346 2HG1 ILE 34 1HG1 ILE 34 -1.158 2.241 -1.466 347 1HG2 ILE 34 1HG2 ILE 34 -3.620 -0.207 -2.008 348 2HG2 ILE 34 2HG2 ILE 34 -4.751 0.690 -3.020 349 3HG2 ILE 34 3HG2 ILE 34 -4.673 1.009 -1.287 350 1HD1 ILE 34 1HD1 ILE 34 -2.690 4.021 -0.783 351 2HD1 ILE 34 2HD1 ILE 34 -2.016 3.172 0.609 352 3HD1 ILE 34 3HD1 ILE 34 -3.671 2.844 0.091 353 H ASP 35 HN ASP 35 -1.744 3.121 -5.486 354 HA ASP 35 HA ASP 35 0.847 3.899 -4.339 355 1HB ASP 35 2HB ASP 35 1.186 2.864 -6.479 356 2HB ASP 35 1HB ASP 35 -0.065 3.853 -7.213 357 H ALA 36 HN ALA 36 1.270 5.984 -3.961 358 HA ALA 36 HA ALA 36 -0.777 7.969 -4.645 359 1HB ALA 36 1HB ALA 36 -0.768 8.798 -2.328 360 2HB ALA 36 2HB ALA 36 0.268 7.447 -1.868 361 3HB ALA 36 3HB ALA 36 -1.373 7.146 -2.443 362 HA PRO 37 HA PRO 37 2.737 10.551 -5.436 363 1HB PRO 37 2HB PRO 37 1.045 12.872 -4.855 364 2HB PRO 37 1HB PRO 37 1.745 12.356 -6.392 365 1HG PRO 37 2HG PRO 37 -0.900 12.207 -5.902 366 2HG PRO 37 1HG PRO 37 -0.059 11.019 -6.916 367 1HD PRO 37 2HD PRO 37 -0.913 10.801 -4.049 368 2HD PRO 37 1HD PRO 37 -1.033 9.602 -5.355 369 H LYS 38 HN LYS 38 2.085 9.728 -2.589 370 HA LYS 38 HA LYS 38 3.075 9.993 -0.583 371 1HB LYS 38 2HB LYS 38 5.064 10.426 -2.018 372 2HB LYS 38 1HB LYS 38 4.728 12.145 -1.890 373 1HG LYS 38 2HG LYS 38 6.494 11.305 -0.364 374 2HG LYS 38 1HG LYS 38 5.161 12.129 0.446 375 1HD LYS 38 2HD LYS 38 4.315 10.171 1.347 376 2HD LYS 38 1HD LYS 38 5.075 9.147 0.125 377 1HE LYS 38 2HE LYS 38 6.207 8.895 2.255 378 2HE LYS 38 1HE LYS 38 7.275 9.642 1.064 379 1HZ LYS 38 1HZ LYS 38 6.870 11.788 2.059 380 2HZ LYS 38 2HZ LYS 38 7.401 10.706 3.255 381 3HZ LYS 38 3HZ LYS 38 5.760 11.123 3.156 382 H HIS 39 HN HIS 39 0.818 11.819 -1.566 383 HA HIS 39 HA HIS 39 0.832 14.041 0.195 384 1HB HIS 39 2HB HIS 39 -1.544 14.147 -0.175 385 2HB HIS 39 1HB HIS 39 -0.821 13.627 -1.694 386 HD1 HIS 39 1HD HIS 39 -0.447 10.634 -0.641 387 HD2 HIS 39 2HD HIS 39 -3.978 12.802 -0.621 388 HE1 HIS 39 1HE HIS 39 -2.244 8.945 -0.494 389 HE2 HIS 39 2HE HIS 39 -4.385 10.260 -0.859 390 H ILE 40 HN ILE 40 -1.268 13.851 1.863 391 HA ILE 40 HA ILE 40 -0.382 11.976 3.893 392 HB ILE 40 HB ILE 40 -1.822 13.163 5.431 393 1HG1 ILE 40 2HG1 ILE 40 -3.501 13.570 3.427 394 2HG1 ILE 40 1HG1 ILE 40 -3.501 14.625 4.846 395 1HG2 ILE 40 1HG2 ILE 40 -0.809 15.379 5.378 396 2HG2 ILE 40 2HG2 ILE 40 -0.301 15.116 3.711 397 3HG2 ILE 40 3HG2 ILE 40 0.378 14.129 5.004 398 1HD1 ILE 40 1HD1 ILE 40 -2.122 16.242 3.586 399 2HD1 ILE 40 2HD1 ILE 40 -3.683 15.928 2.830 400 3HD1 ILE 40 3HD1 ILE 40 -2.223 15.189 2.177 401 H ASP 41 HN ASP 41 -1.889 10.626 5.012 402 HA ASP 41 HA ASP 41 -3.992 9.717 3.204 403 1HB ASP 41 2HB ASP 41 -3.909 7.601 4.526 404 2HB ASP 41 1HB ASP 41 -2.410 8.030 3.708 405 H ILE 42 HN ILE 42 -5.862 10.536 3.562 406 HA ILE 42 HA ILE 42 -6.717 11.540 6.115 407 HB ILE 42 HB ILE 42 -8.502 11.110 3.726 408 1HG1 ILE 42 2HG1 ILE 42 -6.408 12.183 2.948 409 2HG1 ILE 42 1HG1 ILE 42 -7.807 13.239 2.799 410 1HG2 ILE 42 1HG2 ILE 42 -9.637 13.104 4.560 411 2HG2 ILE 42 2HG2 ILE 42 -8.458 13.233 5.864 412 3HG2 ILE 42 3HG2 ILE 42 -9.550 11.851 5.799 413 1HD1 ILE 42 1HD1 ILE 42 -5.711 13.355 4.955 414 2HD1 ILE 42 2HD1 ILE 42 -7.128 14.397 4.848 415 3HD1 ILE 42 3HD1 ILE 42 -5.887 14.468 3.597 416 H HIS 43 HN HIS 43 -8.525 10.701 7.339 417 HA HIS 43 HA HIS 43 -9.464 8.034 6.559 418 1HB HIS 43 2HB HIS 43 -8.554 8.606 9.386 419 2HB HIS 43 1HB HIS 43 -9.086 7.064 8.714 420 HD1 HIS 43 1HD HIS 43 -6.152 8.386 9.893 421 HD2 HIS 43 2HD HIS 43 -7.145 6.677 6.226 422 HE1 HIS 43 1HE HIS 43 -3.982 7.614 8.897 423 HE2 HIS 43 2HE HIS 43 -4.572 6.820 6.602 424 H ARG 44 HN ARG 44 -11.384 7.365 7.788 425 HA ARG 44 HA ARG 44 -13.145 9.612 8.205 426 1HB ARG 44 2HB ARG 44 -13.866 7.548 6.999 427 2HB ARG 44 1HB ARG 44 -13.715 6.653 8.505 428 1HG ARG 44 2HG ARG 44 -15.451 8.048 9.509 429 2HG ARG 44 1HG ARG 44 -15.597 8.950 7.998 430 1HD ARG 44 2HD ARG 44 -16.203 6.836 6.851 431 2HD ARG 44 1HD ARG 44 -16.167 6.016 8.412 432 HE ARG 44 HE ARG 44 -17.887 8.204 8.633 433 1HH1 ARG 44 1HH1 ARG 44 -17.715 5.123 6.964 434 2HH1 ARG 44 2HH1 ARG 44 -19.447 4.968 6.809 435 1HH2 ARG 44 1HH2 ARG 44 -20.150 7.987 8.465 436 2HH2 ARG 44 2HH2 ARG 44 -20.825 6.603 7.670 437 H LYS 45 HN LYS 45 -12.699 6.668 10.163 438 HA LYS 45 HA LYS 45 -12.484 8.373 12.557 439 1HB LYS 45 2HB LYS 45 -14.070 5.810 12.294 440 2HB LYS 45 1HB LYS 45 -13.810 6.685 13.793 441 1HG LYS 45 2HG LYS 45 -15.208 7.863 11.407 442 2HG LYS 45 1HG LYS 45 -16.040 7.026 12.717 443 1HD LYS 45 2HD LYS 45 -15.043 8.665 14.310 444 2HD LYS 45 1HD LYS 45 -14.386 9.539 12.923 445 1HE LYS 45 2HE LYS 45 -16.469 10.553 13.679 446 2HE LYS 45 1HE LYS 45 -16.645 9.878 12.060 447 1HZ LYS 45 1HZ LYS 45 -18.552 9.353 13.437 448 2HZ LYS 45 2HZ LYS 45 -17.560 8.594 14.581 449 3HZ LYS 45 3HZ LYS 45 -17.722 7.936 13.024 450 H GLU 46 HN GLU 46 -12.340 4.923 11.723 451 HA GLU 46 HA GLU 46 -10.074 4.616 13.561 452 1HB GLU 46 2HB GLU 46 -10.715 2.203 13.476 453 2HB GLU 46 1HB GLU 46 -11.993 3.257 14.073 454 1HG GLU 46 2HG GLU 46 -12.929 3.257 11.736 455 2HG GLU 46 1HG GLU 46 -11.773 1.981 11.362 456 H ILE 47 HN ILE 47 -9.323 5.733 11.240 457 HA ILE 47 HA ILE 47 -8.289 5.639 9.244 458 HB ILE 47 HB ILE 47 -6.258 4.446 9.088 459 1HG1 ILE 47 2HG1 ILE 47 -7.019 2.800 11.504 460 2HG1 ILE 47 1HG1 ILE 47 -7.151 2.214 9.853 461 1HG2 ILE 47 1HG2 ILE 47 -5.199 5.040 11.223 462 2HG2 ILE 47 2HG2 ILE 47 -6.796 5.234 11.947 463 3HG2 ILE 47 3HG2 ILE 47 -6.288 6.298 10.635 464 1HD1 ILE 47 1HD1 ILE 47 -4.580 3.179 11.067 465 2HD1 ILE 47 2HD1 ILE 47 -4.805 2.316 9.539 466 3HD1 ILE 47 3HD1 ILE 47 -5.101 1.496 11.073 467 H TYR 48 HN TYR 48 -9.347 5.196 7.505 468 HA TYR 48 HA TYR 48 -10.516 2.597 7.131 469 1HB TYR 48 2HB TYR 48 -11.699 3.601 5.251 470 2HB TYR 48 1HB TYR 48 -11.818 4.601 6.691 471 HD1 TYR 48 1HD TYR 48 -8.927 4.559 4.349 472 HD2 TYR 48 2HD TYR 48 -12.371 6.634 5.719 473 HE1 TYR 48 1HE TYR 48 -8.283 6.505 3.004 474 HE2 TYR 48 2HE TYR 48 -11.728 8.595 4.389 475 HH TYR 48 HH TYR 48 -9.244 8.453 2.023 476 H LEU 49 HN LEU 49 -7.558 3.828 6.516 477 HA LEU 49 HA LEU 49 -7.243 2.605 3.866 478 1HB LEU 49 2HB LEU 49 -6.179 4.965 5.160 479 2HB LEU 49 1HB LEU 49 -4.890 3.938 4.558 480 HG LEU 49 HG LEU 49 -7.186 4.869 2.848 481 1HD1 LEU 49 1HD1 LEU 49 -5.591 6.496 1.924 482 2HD1 LEU 49 2HD1 LEU 49 -4.425 6.033 3.162 483 3HD1 LEU 49 3HD1 LEU 49 -5.941 6.805 3.625 484 1HD2 LEU 49 1HD2 LEU 49 -5.701 4.204 1.020 485 2HD2 LEU 49 2HD2 LEU 49 -6.044 2.843 2.090 486 3HD2 LEU 49 3HD2 LEU 49 -4.493 3.674 2.192 487 H THR 50 HN THR 50 -4.921 3.163 6.461 488 HA THR 50 HA THR 50 -3.540 1.786 7.599 489 HB THR 50 HB THR 50 -5.454 -0.231 6.532 490 HG1 THR 50 1HG THR 50 -4.704 0.017 9.217 491 1HG2 THR 50 1HG2 THR 50 -2.936 -0.914 8.049 492 2HG2 THR 50 2HG2 THR 50 -3.298 -1.365 6.383 493 3HG2 THR 50 3HG2 THR 50 -4.261 -2.029 7.704 494 H ILE 51 HN ILE 51 -4.160 1.052 4.254 495 HA ILE 51 HA ILE 51 -1.887 -0.468 3.672 496 HB ILE 51 HB ILE 51 -2.955 1.402 1.578 497 1HG1 ILE 51 2HG1 ILE 51 -4.422 -1.044 2.587 498 2HG1 ILE 51 1HG1 ILE 51 -4.887 0.610 2.939 499 1HG2 ILE 51 1HG2 ILE 51 -1.206 -0.213 1.020 500 2HG2 ILE 51 2HG2 ILE 51 -2.708 -0.555 0.164 501 3HG2 ILE 51 3HG2 ILE 51 -2.251 -1.530 1.560 502 1HD1 ILE 51 1HD1 ILE 51 -6.238 -0.352 1.163 503 2HD1 ILE 51 2HD1 ILE 51 -4.783 -0.627 0.206 504 3HD1 ILE 51 3HD1 ILE 51 -5.293 1.019 0.583 505 H GLN 52 HN GLN 52 -2.318 2.998 2.794 506 HA GLN 52 HA GLN 52 0.559 3.221 2.601 507 1HB GLN 52 2HB GLN 52 0.279 5.301 1.589 508 2HB GLN 52 1HB GLN 52 -1.117 4.389 1.028 509 1HG GLN 52 2HG GLN 52 -2.530 5.508 2.643 510 2HG GLN 52 1HG GLN 52 -1.135 6.355 3.309 511 1HE2 GLN 52 1HE2 GLN 52 -3.425 7.629 2.318 512 2HE2 GLN 52 2HE2 GLN 52 -2.990 8.533 0.922 513 H GLU 53 HN GLU 53 -1.532 3.297 5.096 514 HA GLU 53 HA GLU 53 -0.284 5.437 6.596 515 1HB GLU 53 2HB GLU 53 -2.717 4.490 6.821 516 2HB GLU 53 1HB GLU 53 -1.968 3.209 7.762 517 1HG GLU 53 2HG GLU 53 -1.885 6.150 8.406 518 2HG GLU 53 1HG GLU 53 -2.932 4.956 9.162 519 H GLU 54 HN GLU 54 -0.465 1.906 6.738 520 HA GLU 54 HA GLU 54 1.699 1.430 8.428 521 1HB GLU 54 2HB GLU 54 0.335 -0.118 6.239 522 2HB GLU 54 1HB GLU 54 1.795 -0.764 7.008 523 1HG GLU 54 2HG GLU 54 0.566 -0.376 9.224 524 2HG GLU 54 1HG GLU 54 -0.881 -0.180 8.240 525 H ASN 55 HN ASN 55 1.505 1.944 4.965 526 HA ASN 55 HA ASN 55 4.387 1.750 4.668 527 1HB ASN 55 2HB ASN 55 3.004 0.832 2.896 528 2HB ASN 55 1HB ASN 55 2.179 2.370 2.700 529 1HD2 ASN 55 1HD2 ASN 55 5.605 2.118 3.218 530 2HD2 ASN 55 2HD2 ASN 55 6.090 2.602 1.623 531 H ASN 56 HN ASN 56 2.888 4.103 2.710 532 HA ASN 56 HA ASN 56 3.221 6.342 2.435 533 1HB ASN 56 2HB ASN 56 2.337 6.359 4.835 534 2HB ASN 56 1HB ASN 56 4.032 6.445 5.327 535 1HD2 ASN 56 1HD2 ASN 56 1.886 8.362 5.749 536 2HD2 ASN 56 2HD2 ASN 56 2.421 9.854 5.045 537 H ARG 57 HN ARG 57 5.568 4.996 4.647 538 HA ARG 57 HA ARG 57 7.762 6.430 3.323 539 1HB ARG 57 2HB ARG 57 8.818 6.073 5.675 540 2HB ARG 57 1HB ARG 57 7.588 7.320 5.478 541 1HG ARG 57 2HG ARG 57 5.885 5.724 6.278 542 2HG ARG 57 1HG ARG 57 7.159 4.540 6.557 543 1HD ARG 57 2HD ARG 57 6.926 7.236 7.882 544 2HD ARG 57 1HD ARG 57 6.518 5.677 8.604 545 HE ARG 57 HE ARG 57 8.971 5.137 8.173 546 1HH1 ARG 57 1HH1 ARG 57 7.804 8.371 8.891 547 2HH1 ARG 57 2HH1 ARG 57 9.307 8.876 9.609 548 1HH2 ARG 57 1HH2 ARG 57 10.924 5.814 9.109 549 2HH2 ARG 57 2HH2 ARG 57 11.068 7.422 9.749 550 H ALA 58 HN ALA 58 7.279 3.555 5.424 551 HA ALA 58 HA ALA 58 9.216 2.132 3.729 552 1HB ALA 58 1HB ALA 58 10.217 2.700 5.876 553 2HB ALA 58 2HB ALA 58 10.012 0.957 5.709 554 3HB ALA 58 3HB ALA 58 8.898 1.882 6.712 555 H ALA 59 HN ALA 59 7.585 1.234 2.523 556 HA ALA 59 HA ALA 59 5.487 -0.374 3.334 557 1HB ALA 59 1HB ALA 59 5.977 0.284 1.004 558 2HB ALA 59 2HB ALA 59 5.651 -1.443 1.168 559 3HB ALA 59 3HB ALA 59 7.309 -0.871 0.978 560 H ALA 60 HN ALA 60 5.237 -2.398 4.082 561 HA ALA 60 HA ALA 60 7.329 -4.378 3.893 562 1HB ALA 60 1HB ALA 60 6.389 -3.472 6.614 563 2HB ALA 60 2HB ALA 60 7.987 -3.176 5.929 564 3HB ALA 60 3HB ALA 60 7.472 -4.825 6.283 565 H LEU 61 HN LEU 61 5.758 -5.456 2.649 566 HA LEU 61 HA LEU 61 3.648 -6.752 4.243 567 1HB LEU 61 2HB LEU 61 3.188 -4.784 2.288 568 2HB LEU 61 1HB LEU 61 2.808 -6.305 1.506 569 HG LEU 61 HG LEU 61 0.801 -5.342 2.435 570 1HD1 LEU 61 1HD1 LEU 61 1.705 -7.702 4.076 571 2HD1 LEU 61 2HD1 LEU 61 0.958 -7.767 2.479 572 3HD1 LEU 61 3HD1 LEU 61 0.037 -7.170 3.861 573 1HD2 LEU 61 1HD2 LEU 61 1.853 -3.968 4.166 574 2HD2 LEU 61 2HD2 LEU 61 2.186 -5.420 5.109 575 3HD2 LEU 61 3HD2 LEU 61 0.520 -4.929 4.806 576 H SER 62 HN SER 62 2.620 -8.066 1.830 577 HA SER 62 HA SER 62 2.961 -9.760 0.368 578 1HB SER 62 2HB SER 62 4.774 -8.485 -0.620 579 2HB SER 62 1HB SER 62 5.881 -9.012 0.645 580 HG SER 62 HG SER 62 4.856 -10.427 -1.557 581 H SER 63 HN SER 63 5.868 -10.119 2.392 582 HA SER 63 HA SER 63 5.350 -12.925 2.660 583 1HB SER 63 2HB SER 63 7.642 -12.001 2.384 584 2HB SER 63 1HB SER 63 7.499 -11.253 3.972 585 HG SER 63 HG SER 63 7.326 -14.043 3.427 586 H ASP 64 HN ASP 64 4.526 -10.138 4.416 587 HA ASP 64 HA ASP 64 3.816 -9.692 6.533 588 1HB ASP 64 2HB ASP 64 2.050 -11.348 5.835 589 2HB ASP 64 1HB ASP 64 3.008 -12.612 6.595 590 H VAL 65 HN VAL 65 6.037 -9.402 7.037 591 HA VAL 65 HA VAL 65 7.490 -11.593 8.231 592 HB VAL 65 HB VAL 65 8.266 -8.669 8.012 593 1HG1 VAL 65 1HG1 VAL 65 10.576 -9.529 8.263 594 2HG1 VAL 65 2HG1 VAL 65 9.926 -11.142 8.554 595 3HG1 VAL 65 3HG1 VAL 65 9.582 -9.834 9.685 596 1HG2 VAL 65 1HG2 VAL 65 8.892 -10.975 6.167 597 2HG2 VAL 65 2HG2 VAL 65 9.585 -9.359 6.052 598 3HG2 VAL 65 3HG2 VAL 65 7.854 -9.597 5.809 599 H ILE 66 HN ILE 66 7.842 -8.446 9.610 600 HA ILE 66 HA ILE 66 6.344 -9.253 12.011 601 HB ILE 66 HB ILE 66 8.542 -7.170 11.784 602 1HG1 ILE 66 2HG1 ILE 66 9.410 -9.466 11.542 603 2HG1 ILE 66 1HG1 ILE 66 9.931 -8.739 13.057 604 1HG2 ILE 66 1HG2 ILE 66 8.452 -7.120 14.232 605 2HG2 ILE 66 2HG2 ILE 66 7.090 -8.240 14.199 606 3HG2 ILE 66 3HG2 ILE 66 6.921 -6.627 13.509 607 1HD1 ILE 66 1HD1 ILE 66 9.297 -11.065 13.353 608 2HD1 ILE 66 2HD1 ILE 66 7.684 -10.715 12.733 609 3HD1 ILE 66 3HD1 ILE 66 8.221 -9.997 14.252 610 H SER 67 HN SER 67 6.818 -6.999 9.489 611 HA SER 67 HA SER 67 5.559 -5.434 8.529 612 1HB SER 67 2HB SER 67 3.479 -6.339 10.498 613 2HB SER 67 1HB SER 67 3.179 -5.369 9.058 614 HG SER 67 HG SER 67 3.609 -8.077 9.323 615 H ALA 68 HN ALA 68 4.376 -5.149 11.901 616 HA ALA 68 HA ALA 68 5.042 -2.326 11.893 617 1HB ALA 68 1HB ALA 68 3.944 -4.094 14.085 618 2HB ALA 68 2HB ALA 68 3.002 -3.054 13.015 619 3HB ALA 68 3HB ALA 68 4.121 -2.341 14.177 620 H LEU 69 HN LEU 69 6.986 -1.615 12.334 621 HA LEU 69 HA LEU 69 9.199 -1.590 12.878 622 1HB LEU 69 2HB LEU 69 8.221 -2.945 15.390 623 2HB LEU 69 1HB LEU 69 9.714 -2.043 15.205 624 HG LEU 69 HG LEU 69 6.943 -0.863 14.966 625 1HD1 LEU 69 1HD1 LEU 69 8.954 -0.716 17.211 626 2HD1 LEU 69 2HD1 LEU 69 7.421 -1.585 17.244 627 3HD1 LEU 69 3HD1 LEU 69 7.436 0.175 17.130 628 1HD2 LEU 69 1HD2 LEU 69 8.134 1.287 15.055 629 2HD2 LEU 69 2HD2 LEU 69 8.591 0.338 13.641 630 3HD2 LEU 69 3HD2 LEU 69 9.674 0.427 15.029 631 H SER 70 HN SER 70 9.464 -3.233 11.137 632 HA SER 70 HA SER 70 9.724 -5.991 11.905 633 1HB SER 70 2HB SER 70 10.479 -4.596 9.322 634 2HB SER 70 1HB SER 70 10.434 -6.342 9.565 635 HG SER 70 HG SER 70 8.247 -4.532 9.708 636 H SER 71 HN SER 71 11.783 -3.243 11.689 637 HA SER 71 HA SER 71 14.156 -4.921 12.048 638 1HB SER 71 2HB SER 71 15.313 -2.614 11.760 639 2HB SER 71 1HB SER 71 14.603 -3.386 10.339 640 HG SER 71 HG SER 71 13.316 -1.741 10.158 641 H GLN 72 HN GLN 72 12.177 -4.544 14.121 642 HA GLN 72 HA GLN 72 12.918 -2.729 16.095 643 1HB GLN 72 2HB GLN 72 11.962 -4.413 17.700 644 2HB GLN 72 1HB GLN 72 10.899 -3.914 16.393 645 1HG GLN 72 2HG GLN 72 11.425 -5.984 15.187 646 2HG GLN 72 1HG GLN 72 12.457 -6.487 16.526 647 1HE2 GLN 72 1HE2 GLN 72 9.195 -5.837 15.512 648 2HE2 GLN 72 2HE2 GLN 72 8.411 -6.721 16.779 649 H LYS 73 HN LYS 73 14.313 -2.722 17.737 650 HA LYS 73 HA LYS 73 16.796 -3.961 17.338 651 1HB LYS 73 2HB LYS 73 17.175 -2.973 19.740 652 2HB LYS 73 1HB LYS 73 16.997 -1.922 18.348 653 1HG LYS 73 2HG LYS 73 15.774 -1.173 20.388 654 2HG LYS 73 1HG LYS 73 14.773 -1.340 18.947 655 1HD LYS 73 2HD LYS 73 13.912 -3.445 19.732 656 2HD LYS 73 1HD LYS 73 15.003 -3.416 21.122 657 1HE LYS 73 2HE LYS 73 12.782 -1.450 20.573 658 2HE LYS 73 1HE LYS 73 12.719 -2.774 21.736 659 1HZ LYS 73 1HZ LYS 73 14.391 -0.332 21.835 660 2HZ LYS 73 2HZ LYS 73 14.719 -1.690 22.798 661 3HZ LYS 73 3HZ LYS 73 13.244 -0.870 22.966 662 H LYS 74 HN LYS 74 17.892 -5.509 18.509 663 HA LYS 74 HA LYS 74 16.341 -7.055 20.466 664 1HB LYS 74 2HB LYS 74 18.159 -8.215 18.339 665 2HB LYS 74 1HB LYS 74 17.359 -9.131 19.605 666 1HG LYS 74 2HG LYS 74 15.172 -8.402 18.658 667 2HG LYS 74 1HG LYS 74 16.057 -7.669 17.320 668 1HD LYS 74 2HD LYS 74 16.062 -10.591 18.082 669 2HD LYS 74 1HD LYS 74 15.240 -9.876 16.695 670 1HE LYS 74 2HE LYS 74 18.220 -9.879 17.159 671 2HE LYS 74 1HE LYS 74 17.357 -10.962 16.073 672 1HZ LYS 74 1HZ LYS 74 17.450 -8.000 15.821 673 2HZ LYS 74 2HZ LYS 74 16.676 -9.069 14.753 674 3HZ LYS 74 3HZ LYS 74 18.365 -9.094 14.902 Start of MODEL 14 1 H HIS -9 H HIS -9 11.232 0.936 -12.054 2 HA HIS -9 HA HIS -9 13.276 -0.027 -12.772 3 1HB HIS -9 2HB HIS -9 11.783 -0.253 -15.336 4 2HB HIS -9 1HB HIS -9 13.501 0.111 -15.440 5 HD1 HIS -9 1HD HIS -9 14.832 -1.925 -15.755 6 HD2 HIS -9 2HD HIS -9 11.495 -2.626 -13.375 7 HE1 HIS -9 1HE HIS -9 14.934 -4.361 -15.146 8 HE2 HIS -9 2HE HIS -9 13.039 -4.696 -13.520 9 H SER -8 HN SER -8 14.824 1.203 -14.537 10 HA SER -8 HA SER -8 15.906 3.131 -14.988 11 1HB SER -8 2HB SER -8 13.824 3.840 -16.145 12 2HB SER -8 1HB SER -8 13.225 4.507 -14.628 13 HG SER -8 HG SER -8 14.930 5.596 -16.433 14 H SER -7 HN SER -7 17.181 2.995 -13.195 15 HA SER -7 HA SER -7 16.246 4.043 -10.666 16 1HB SER -7 2HB SER -7 17.888 2.052 -11.065 17 2HB SER -7 1HB SER -7 19.105 3.313 -11.257 18 HG SER -7 HG SER -7 17.574 2.633 -8.987 19 H GLY -6 HN GLY -6 17.523 5.733 -9.526 20 1HA GLY -6 2HA GLY -6 18.465 7.868 -9.510 21 2HA GLY -6 1HA GLY -6 18.759 7.725 -11.240 22 H HIS -5 HN HIS -5 15.719 6.744 -10.678 23 HA HIS -5 HA HIS -5 14.548 9.289 -11.495 24 1HB HIS -5 2HB HIS -5 13.967 7.509 -12.956 25 2HB HIS -5 1HB HIS -5 13.638 6.416 -11.619 26 HD1 HIS -5 1HD HIS -5 12.195 9.644 -13.050 27 HD2 HIS -5 2HD HIS -5 10.999 6.172 -11.100 28 HE1 HIS -5 1HE HIS -5 9.688 9.766 -12.920 29 HE2 HIS -5 2HE HIS -5 9.008 7.765 -11.540 30 H ILE -4 HN ILE -4 13.518 10.499 -10.060 31 HA ILE -4 HA ILE -4 13.153 9.605 -7.364 32 HB ILE -4 HB ILE -4 13.775 11.898 -7.650 33 1HG1 ILE -4 2HG1 ILE -4 11.823 13.111 -6.592 34 2HG1 ILE -4 1HG1 ILE -4 10.875 11.642 -6.825 35 1HG2 ILE -4 1HG2 ILE -4 11.313 12.207 -9.363 36 2HG2 ILE -4 2HG2 ILE -4 12.985 12.228 -9.922 37 3HG2 ILE -4 3HG2 ILE -4 12.391 13.514 -8.872 38 1HD1 ILE -4 1HD1 ILE -4 12.415 10.415 -5.391 39 2HD1 ILE -4 2HD1 ILE -4 11.736 11.810 -4.553 40 3HD1 ILE -4 3HD1 ILE -4 13.386 11.871 -5.172 41 H GLU -3 HN GLU -3 11.359 8.841 -6.426 42 HA GLU -3 HA GLU -3 8.819 9.379 -7.783 43 1HB GLU -3 2HB GLU -3 9.791 6.826 -6.576 44 2HB GLU -3 1HB GLU -3 8.069 7.191 -6.561 45 1HG GLU -3 2HG GLU -3 9.859 6.960 -8.966 46 2HG GLU -3 1HG GLU -3 8.563 5.864 -8.491 47 H GLY -2 HN GLY -2 8.260 11.123 -6.626 48 1HA GLY -2 2HA GLY -2 7.951 10.972 -3.743 49 2HA GLY -2 1HA GLY -2 7.384 12.269 -4.800 50 H ARG -1 HN ARG -1 6.718 9.002 -5.570 51 HA ARG -1 HA ARG -1 4.083 9.090 -4.284 52 1HB ARG -1 2HB ARG -1 2.988 8.270 -6.191 53 2HB ARG -1 1HB ARG -1 4.100 9.448 -6.871 54 1HG ARG -1 2HG ARG -1 5.681 7.558 -7.318 55 2HG ARG -1 1HG ARG -1 4.386 6.456 -6.850 56 1HD ARG -1 2HD ARG -1 4.186 6.549 -9.160 57 2HD ARG -1 1HD ARG -1 2.988 7.721 -8.611 58 HE ARG -1 HE ARG -1 5.600 8.846 -9.174 59 1HH1 ARG -1 1HH1 ARG -1 2.441 8.003 -10.478 60 2HH1 ARG -1 2HH1 ARG -1 2.576 9.082 -11.834 61 1HH2 ARG -1 1HH2 ARG -1 5.776 10.254 -10.968 62 2HH2 ARG -1 2HH2 ARG -1 4.472 10.358 -12.125 63 H HIS 0 HN HIS 0 3.309 6.878 -3.778 64 HA HIS 0 HA HIS 0 5.393 4.847 -4.022 65 1HB HIS 0 2HB HIS 0 4.972 4.036 -1.704 66 2HB HIS 0 1HB HIS 0 5.756 5.603 -1.788 67 HD1 HIS 0 1HD HIS 0 4.970 6.003 0.660 68 HD2 HIS 0 2HD HIS 0 1.886 5.622 -2.088 69 HE1 HIS 0 1HE HIS 0 2.931 6.903 1.806 70 HE2 HIS 0 2HE HIS 0 1.098 6.770 0.093 71 H MET 1 HN MET 1 4.700 2.910 -4.604 72 HA MET 1 HA MET 1 1.808 2.426 -4.635 73 1HB MET 1 2HB MET 1 2.903 2.057 -6.753 74 2HB MET 1 1HB MET 1 4.133 1.057 -5.999 75 1HG MET 1 2HG MET 1 2.358 -0.589 -5.430 76 2HG MET 1 1HG MET 1 1.228 0.385 -6.373 77 1HE MET 1 1HE MET 1 1.914 -2.765 -6.884 78 2HE MET 1 2HE MET 1 1.909 -2.765 -8.648 79 3HE MET 1 3HE MET 1 0.689 -1.850 -7.759 80 H LEU 2 HN LEU 2 1.180 1.658 -2.680 81 HA LEU 2 HA LEU 2 2.884 -0.374 -1.408 82 1HB LEU 2 2HB LEU 2 2.041 1.737 -0.120 83 2HB LEU 2 1HB LEU 2 0.495 0.908 -0.091 84 HG LEU 2 HG LEU 2 1.907 0.652 1.984 85 1HD1 LEU 2 1HD1 LEU 2 1.491 -1.751 2.251 86 2HD1 LEU 2 2HD1 LEU 2 1.174 -1.878 0.521 87 3HD1 LEU 2 3HD1 LEU 2 0.108 -0.916 1.546 88 1HD2 LEU 2 1HD2 LEU 2 4.056 0.447 0.794 89 2HD2 LEU 2 2HD2 LEU 2 3.552 -1.144 0.218 90 3HD2 LEU 2 3HD2 LEU 2 3.770 -0.860 1.944 91 H VAL 3 HN VAL 3 2.316 -2.407 -1.566 92 HA VAL 3 HA VAL 3 -0.042 -3.054 -3.037 93 HB VAL 3 HB VAL 3 0.914 -5.394 -2.839 94 1HG1 VAL 3 1HG1 VAL 3 2.600 -3.243 -4.101 95 2HG1 VAL 3 2HG1 VAL 3 1.168 -3.985 -4.816 96 3HG1 VAL 3 3HG1 VAL 3 2.616 -4.954 -4.533 97 1HG2 VAL 3 1HG2 VAL 3 2.283 -4.995 -0.837 98 2HG2 VAL 3 2HG2 VAL 3 3.296 -3.892 -1.769 99 3HG2 VAL 3 3HG2 VAL 3 3.239 -5.602 -2.187 100 H LEU 4 HN LEU 4 -1.814 -3.959 -2.378 101 HA LEU 4 HA LEU 4 -2.151 -4.773 0.435 102 1HB LEU 4 2HB LEU 4 -3.621 -3.016 -1.053 103 2HB LEU 4 1HB LEU 4 -4.492 -4.501 -1.342 104 HG LEU 4 HG LEU 4 -4.143 -2.983 1.223 105 1HD1 LEU 4 1HD1 LEU 4 -6.511 -4.226 -0.185 106 2HD1 LEU 4 2HD1 LEU 4 -6.081 -2.516 -0.167 107 3HD1 LEU 4 3HD1 LEU 4 -6.572 -3.317 1.325 108 1HD2 LEU 4 1HD2 LEU 4 -4.958 -5.888 1.005 109 2HD2 LEU 4 2HD2 LEU 4 -5.070 -4.889 2.455 110 3HD2 LEU 4 3HD2 LEU 4 -3.492 -5.274 1.767 111 H SER 5 HN SER 5 -2.689 -6.952 0.770 112 HA SER 5 HA SER 5 -2.431 -8.595 -1.597 113 1HB SER 5 2HB SER 5 -2.658 -9.480 1.285 114 2HB SER 5 1HB SER 5 -2.092 -10.444 -0.078 115 HG SER 5 HG SER 5 -0.712 -8.747 1.498 116 H ARG 6 HN ARG 6 -4.257 -8.925 -2.733 117 HA ARG 6 HA ARG 6 -6.585 -9.987 -1.327 118 1HB ARG 6 2HB ARG 6 -6.834 -7.455 -1.544 119 2HB ARG 6 1HB ARG 6 -6.882 -7.696 -3.284 120 1HG ARG 6 2HG ARG 6 -9.101 -7.761 -2.954 121 2HG ARG 6 1HG ARG 6 -8.789 -9.438 -2.503 122 1HD ARG 6 2HD ARG 6 -9.056 -7.075 -0.646 123 2HD ARG 6 1HD ARG 6 -10.185 -8.414 -0.830 124 HE ARG 6 HE ARG 6 -8.168 -9.806 -0.029 125 1HH1 ARG 6 1HH1 ARG 6 -8.975 -6.572 1.033 126 2HH1 ARG 6 2HH1 ARG 6 -8.232 -6.750 2.589 127 1HH2 ARG 6 1HH2 ARG 6 -7.186 -10.049 2.049 128 2HH2 ARG 6 2HH2 ARG 6 -7.217 -8.708 3.164 129 H LYS 7 HN LYS 7 -7.148 -11.764 -2.391 130 HA LYS 7 HA LYS 7 -6.092 -12.104 -5.104 131 1HB LYS 7 2HB LYS 7 -6.833 -14.043 -2.927 132 2HB LYS 7 1HB LYS 7 -6.636 -14.578 -4.589 133 1HG LYS 7 2HG LYS 7 -4.490 -14.849 -4.118 134 2HG LYS 7 1HG LYS 7 -4.351 -13.098 -4.101 135 1HD LYS 7 2HD LYS 7 -5.107 -14.693 -1.668 136 2HD LYS 7 1HD LYS 7 -3.433 -14.348 -2.096 137 1HE LYS 7 2HE LYS 7 -3.869 -11.957 -1.980 138 2HE LYS 7 1HE LYS 7 -5.569 -12.283 -1.626 139 1HZ LYS 7 1HZ LYS 7 -4.395 -11.804 0.411 140 2HZ LYS 7 2HZ LYS 7 -3.246 -13.006 0.084 141 3HZ LYS 7 3HZ LYS 7 -4.851 -13.438 0.413 142 H ILE 8 HN ILE 8 -8.408 -10.585 -4.763 143 HA ILE 8 HA ILE 8 -10.375 -12.293 -6.145 144 HB ILE 8 HB ILE 8 -11.073 -9.776 -4.618 145 1HG1 ILE 8 2HG1 ILE 8 -11.156 -12.645 -3.646 146 2HG1 ILE 8 1HG1 ILE 8 -10.100 -11.376 -3.039 147 1HG2 ILE 8 1HG2 ILE 8 -13.345 -10.728 -4.667 148 2HG2 ILE 8 2HG2 ILE 8 -12.738 -12.096 -5.600 149 3HG2 ILE 8 3HG2 ILE 8 -12.698 -10.474 -6.290 150 1HD1 ILE 8 1HD1 ILE 8 -11.923 -11.736 -1.511 151 2HD1 ILE 8 2HD1 ILE 8 -13.097 -11.476 -2.801 152 3HD1 ILE 8 3HD1 ILE 8 -12.078 -10.144 -2.255 153 H ASN 9 HN ASN 9 -8.065 -10.099 -6.586 154 HA ASN 9 HA ASN 9 -7.626 -8.245 -7.835 155 1HB ASN 9 2HB ASN 9 -8.010 -8.568 -10.239 156 2HB ASN 9 1HB ASN 9 -7.383 -10.018 -9.480 157 1HD2 ASN 9 1HD2 ASN 9 -8.623 -11.855 -9.436 158 2HD2 ASN 9 2HD2 ASN 9 -10.106 -12.009 -10.320 159 H GLU 10 HN GLU 10 -9.941 -7.891 -6.279 160 HA GLU 10 HA GLU 10 -11.816 -6.410 -7.896 161 1HB GLU 10 2HB GLU 10 -12.952 -5.943 -5.787 162 2HB GLU 10 1HB GLU 10 -12.583 -7.657 -5.914 163 1HG GLU 10 2HG GLU 10 -10.726 -7.425 -4.401 164 2HG GLU 10 1HG GLU 10 -10.938 -5.675 -4.349 165 H ALA 11 HN ALA 11 -12.350 -4.169 -6.519 166 HA ALA 11 HA ALA 11 -9.817 -2.673 -6.700 167 1HB ALA 11 1HB ALA 11 -11.183 -0.715 -7.241 168 2HB ALA 11 2HB ALA 11 -12.647 -1.688 -7.093 169 3HB ALA 11 3HB ALA 11 -11.484 -2.032 -8.376 170 H ILE 12 HN ILE 12 -9.390 -1.053 -5.120 171 HA ILE 12 HA ILE 12 -10.873 -1.513 -2.624 172 HB ILE 12 HB ILE 12 -8.109 -0.337 -2.918 173 1HG1 ILE 12 2HG1 ILE 12 -8.085 -2.664 -3.633 174 2HG1 ILE 12 1HG1 ILE 12 -7.306 -2.512 -2.061 175 1HG2 ILE 12 1HG2 ILE 12 -9.269 0.365 -0.896 176 2HG2 ILE 12 2HG2 ILE 12 -7.945 -0.735 -0.511 177 3HG2 ILE 12 3HG2 ILE 12 -9.609 -1.319 -0.495 178 1HD1 ILE 12 1HD1 ILE 12 -10.102 -3.516 -2.564 179 2HD1 ILE 12 2HD1 ILE 12 -9.349 -3.331 -0.981 180 3HD1 ILE 12 3HD1 ILE 12 -8.695 -4.491 -2.137 181 H GLN 13 HN GLN 13 -12.299 -0.033 -2.167 182 HA GLN 13 HA GLN 13 -11.763 2.780 -2.895 183 1HB GLN 13 2HB GLN 13 -13.659 1.861 -4.116 184 2HB GLN 13 1HB GLN 13 -14.380 1.285 -2.625 185 1HG GLN 13 2HG GLN 13 -15.522 3.257 -3.411 186 2HG GLN 13 1HG GLN 13 -14.699 3.598 -1.890 187 1HE2 GLN 13 1HE2 GLN 13 -12.965 4.998 -1.874 188 2HE2 GLN 13 2HE2 GLN 13 -12.584 6.035 -3.214 189 H ILE 14 HN ILE 14 -10.853 3.547 -1.015 190 HA ILE 14 HA ILE 14 -12.471 3.170 1.408 191 HB ILE 14 HB ILE 14 -10.430 3.393 2.778 192 1HG1 ILE 14 2HG1 ILE 14 -9.082 4.452 0.839 193 2HG1 ILE 14 1HG1 ILE 14 -8.261 3.341 1.925 194 1HG2 ILE 14 1HG2 ILE 14 -9.642 1.098 2.383 195 2HG2 ILE 14 2HG2 ILE 14 -10.508 1.086 0.847 196 3HG2 ILE 14 3HG2 ILE 14 -11.400 1.230 2.360 197 1HD1 ILE 14 1HD1 ILE 14 -9.301 2.690 -0.823 198 2HD1 ILE 14 2HD1 ILE 14 -8.504 1.559 0.268 199 3HD1 ILE 14 3HD1 ILE 14 -7.617 2.943 -0.369 200 H GLY 15 HN GLY 15 -13.487 4.939 1.944 201 1HA GLY 15 2HA GLY 15 -13.815 7.042 2.759 202 2HA GLY 15 1HA GLY 15 -12.082 7.107 3.014 203 H ALA 16 HN ALA 16 -13.090 6.622 -0.212 204 HA ALA 16 HA ALA 16 -13.085 7.886 -2.080 205 1HB ALA 16 1HB ALA 16 -13.966 10.134 -1.994 206 2HB ALA 16 2HB ALA 16 -13.736 10.182 -0.244 207 3HB ALA 16 3HB ALA 16 -14.907 9.069 -0.950 208 H ASP 17 HN ASP 17 -10.656 8.036 0.063 209 HA ASP 17 HA ASP 17 -9.220 10.214 -1.265 210 1HB ASP 17 2HB ASP 17 -8.940 10.079 1.163 211 2HB ASP 17 1HB ASP 17 -8.340 8.430 1.030 212 H ILE 18 HN ILE 18 -9.212 6.726 -0.966 213 HA ILE 18 HA ILE 18 -7.274 6.617 -3.169 214 HB ILE 18 HB ILE 18 -7.320 4.904 -0.681 215 1HG1 ILE 18 2HG1 ILE 18 -6.120 7.041 -0.485 216 2HG1 ILE 18 1HG1 ILE 18 -5.010 5.675 -0.412 217 1HG2 ILE 18 1HG2 ILE 18 -5.718 4.501 -3.209 218 2HG2 ILE 18 2HG2 ILE 18 -6.996 3.451 -2.598 219 3HG2 ILE 18 3HG2 ILE 18 -5.485 3.614 -1.701 220 1HD1 ILE 18 1HD1 ILE 18 -4.418 6.061 -2.766 221 2HD1 ILE 18 2HD1 ILE 18 -4.073 7.457 -1.744 222 3HD1 ILE 18 3HD1 ILE 18 -5.493 7.459 -2.790 223 H GLU 19 HN GLU 19 -8.156 5.725 -4.879 224 HA GLU 19 HA GLU 19 -9.676 3.249 -4.563 225 1HB GLU 19 2HB GLU 19 -11.318 3.948 -6.267 226 2HB GLU 19 1HB GLU 19 -11.394 4.961 -4.833 227 1HG GLU 19 2HG GLU 19 -10.087 6.679 -6.006 228 2HG GLU 19 1HG GLU 19 -10.072 5.666 -7.447 229 H VAL 20 HN VAL 20 -8.533 1.758 -5.647 230 HA VAL 20 HA VAL 20 -7.957 1.949 -8.387 231 HB VAL 20 HB VAL 20 -6.265 3.594 -7.625 232 1HG1 VAL 20 1HG1 VAL 20 -5.772 2.684 -5.436 233 2HG1 VAL 20 2HG1 VAL 20 -4.294 2.847 -6.384 234 3HG1 VAL 20 3HG1 VAL 20 -5.038 1.261 -6.172 235 1HG2 VAL 20 1HG2 VAL 20 -5.149 1.047 -8.785 236 2HG2 VAL 20 2HG2 VAL 20 -4.327 2.608 -8.798 237 3HG2 VAL 20 3HG2 VAL 20 -5.844 2.404 -9.674 238 H LYS 21 HN LYS 21 -7.183 0.019 -9.238 239 HA LYS 21 HA LYS 21 -6.128 -1.972 -7.381 240 1HB LYS 21 2HB LYS 21 -7.295 -3.585 -9.217 241 2HB LYS 21 1HB LYS 21 -8.042 -3.140 -7.692 242 1HG LYS 21 2HG LYS 21 -9.691 -2.873 -9.358 243 2HG LYS 21 1HG LYS 21 -9.174 -1.253 -8.903 244 1HD LYS 21 2HD LYS 21 -9.306 -1.180 -11.233 245 2HD LYS 21 1HD LYS 21 -7.586 -1.405 -10.913 246 1HE LYS 21 2HE LYS 21 -8.123 -2.895 -12.667 247 2HE LYS 21 1HE LYS 21 -7.989 -3.886 -11.215 248 1HZ LYS 21 1HZ LYS 21 -10.538 -2.890 -12.373 249 2HZ LYS 21 2HZ LYS 21 -10.388 -3.909 -11.030 250 3HZ LYS 21 3HZ LYS 21 -9.930 -4.462 -12.567 251 H VAL 22 HN VAL 22 -4.027 -1.577 -7.997 252 HA VAL 22 HA VAL 22 -3.444 -2.324 -10.782 253 HB VAL 22 HB VAL 22 -1.107 -1.490 -10.345 254 1HG1 VAL 22 1HG1 VAL 22 -1.688 0.855 -10.654 255 2HG1 VAL 22 2HG1 VAL 22 -3.327 0.535 -10.087 256 3HG1 VAL 22 3HG1 VAL 22 -2.757 -0.187 -11.593 257 1HG2 VAL 22 1HG2 VAL 22 -0.800 0.118 -8.511 258 2HG2 VAL 22 2HG2 VAL 22 -1.093 -1.521 -7.925 259 3HG2 VAL 22 3HG2 VAL 22 -2.387 -0.322 -7.879 260 H ILE 23 HN ILE 23 -3.059 -4.376 -11.026 261 HA ILE 23 HA ILE 23 -2.543 -5.976 -8.672 262 HB ILE 23 HB ILE 23 -3.247 -6.757 -11.497 263 1HG1 ILE 23 2HG1 ILE 23 -4.953 -6.961 -9.022 264 2HG1 ILE 23 1HG1 ILE 23 -4.942 -5.509 -10.024 265 1HG2 ILE 23 1HG2 ILE 23 -2.979 -8.460 -9.029 266 2HG2 ILE 23 2HG2 ILE 23 -1.999 -8.553 -10.493 267 3HG2 ILE 23 3HG2 ILE 23 -3.706 -8.994 -10.545 268 1HD1 ILE 23 1HD1 ILE 23 -5.678 -8.281 -10.950 269 2HD1 ILE 23 2HD1 ILE 23 -5.711 -6.813 -11.926 270 3HD1 ILE 23 3HD1 ILE 23 -6.810 -6.987 -10.558 271 H ALA 24 HN ALA 24 -0.744 -7.013 -8.216 272 HA ALA 24 HA ALA 24 1.392 -7.119 -10.238 273 1HB ALA 24 1HB ALA 24 1.735 -6.480 -7.306 274 2HB ALA 24 2HB ALA 24 1.897 -5.339 -8.640 275 3HB ALA 24 3HB ALA 24 3.040 -6.672 -8.479 276 H VAL 25 HN VAL 25 3.100 -8.754 -9.617 277 HA VAL 25 HA VAL 25 1.736 -11.206 -8.829 278 HB VAL 25 HB VAL 25 4.530 -10.856 -9.939 279 1HG1 VAL 25 1HG1 VAL 25 4.271 -12.938 -8.715 280 2HG1 VAL 25 2HG1 VAL 25 4.373 -13.257 -10.445 281 3HG1 VAL 25 3HG1 VAL 25 2.811 -13.319 -9.627 282 1HG2 VAL 25 1HG2 VAL 25 1.984 -11.627 -11.365 283 2HG2 VAL 25 2HG2 VAL 25 3.596 -11.547 -12.079 284 3HG2 VAL 25 3HG2 VAL 25 2.811 -10.076 -11.504 285 H GLU 26 HN GLU 26 1.833 -11.914 -6.834 286 HA GLU 26 HA GLU 26 3.995 -11.040 -5.060 287 1HB GLU 26 2HB GLU 26 1.583 -10.716 -4.410 288 2HB GLU 26 1HB GLU 26 1.411 -12.466 -4.399 289 1HG GLU 26 2HG GLU 26 1.656 -11.668 -2.160 290 2HG GLU 26 1HG GLU 26 3.079 -12.604 -2.607 291 H GLY 27 HN GLY 27 4.031 -13.169 -7.151 292 1HA GLY 27 2HA GLY 27 5.215 -15.160 -7.361 293 2HA GLY 27 1HA GLY 27 5.311 -15.248 -5.604 294 H ASP 28 HN ASP 28 3.508 -16.044 -4.433 295 HA ASP 28 HA ASP 28 1.733 -17.733 -6.069 296 1HB ASP 28 2HB ASP 28 2.781 -18.165 -3.267 297 2HB ASP 28 1HB ASP 28 1.511 -19.147 -3.990 298 H GLN 29 HN GLN 29 1.264 -15.010 -5.481 299 HA GLN 29 HA GLN 29 -1.355 -15.225 -4.283 300 1HB GLN 29 2HB GLN 29 -0.006 -14.811 -2.310 301 2HB GLN 29 1HB GLN 29 0.818 -13.485 -3.117 302 1HG GLN 29 2HG GLN 29 -1.074 -12.103 -3.021 303 2HG GLN 29 1HG GLN 29 -2.129 -13.446 -2.584 304 1HE2 GLN 29 1HE2 GLN 29 0.385 -11.294 -1.459 305 2HE2 GLN 29 2HE2 GLN 29 0.099 -11.538 0.228 306 H VAL 30 HN VAL 30 -2.720 -13.524 -4.906 307 HA VAL 30 HA VAL 30 -1.579 -11.686 -6.887 308 HB VAL 30 HB VAL 30 -4.498 -12.419 -6.508 309 1HG1 VAL 30 1HG1 VAL 30 -4.166 -10.205 -7.484 310 2HG1 VAL 30 2HG1 VAL 30 -4.873 -11.330 -8.643 311 3HG1 VAL 30 3HG1 VAL 30 -3.165 -10.913 -8.753 312 1HG2 VAL 30 1HG2 VAL 30 -3.274 -14.357 -7.296 313 2HG2 VAL 30 2HG2 VAL 30 -2.552 -13.403 -8.592 314 3HG2 VAL 30 3HG2 VAL 30 -4.289 -13.712 -8.584 315 H LYS 31 HN LYS 31 -1.409 -9.622 -6.315 316 HA LYS 31 HA LYS 31 -3.300 -8.600 -4.347 317 1HB LYS 31 2HB LYS 31 -1.637 -7.706 -2.940 318 2HB LYS 31 1HB LYS 31 -1.155 -9.369 -3.264 319 1HG LYS 31 2HG LYS 31 0.361 -8.448 -5.057 320 2HG LYS 31 1HG LYS 31 -0.007 -6.840 -4.423 321 1HD LYS 31 2HD LYS 31 1.392 -9.119 -3.042 322 2HD LYS 31 1HD LYS 31 2.014 -7.506 -3.390 323 1HE LYS 31 2HE LYS 31 0.380 -6.556 -1.817 324 2HE LYS 31 1HE LYS 31 -0.202 -8.181 -1.457 325 1HZ LYS 31 1HZ LYS 31 1.299 -7.661 0.243 326 2HZ LYS 31 2HZ LYS 31 2.438 -7.013 -0.820 327 3HZ LYS 31 3HZ LYS 31 2.175 -8.684 -0.792 328 H LEU 32 HN LEU 32 -3.729 -6.404 -4.478 329 HA LEU 32 HA LEU 32 -2.744 -5.045 -6.890 330 1HB LEU 32 2HB LEU 32 -4.625 -3.518 -6.596 331 2HB LEU 32 1HB LEU 32 -5.184 -5.169 -6.730 332 HG LEU 32 HG LEU 32 -4.981 -4.903 -4.026 333 1HD1 LEU 32 1HD1 LEU 32 -5.973 -2.756 -3.419 334 2HD1 LEU 32 2HD1 LEU 32 -5.852 -2.224 -5.095 335 3HD1 LEU 32 3HD1 LEU 32 -4.388 -2.552 -4.166 336 1HD2 LEU 32 1HD2 LEU 32 -7.396 -4.724 -4.030 337 2HD2 LEU 32 2HD2 LEU 32 -6.871 -5.811 -5.316 338 3HD2 LEU 32 3HD2 LEU 32 -7.375 -4.166 -5.703 339 H GLY 33 HN GLY 33 -2.403 -2.606 -6.555 340 1HA GLY 33 2HA GLY 33 -1.360 -2.140 -3.828 341 2HA GLY 33 1HA GLY 33 -0.454 -1.655 -5.257 342 H ILE 34 HN ILE 34 -1.552 -0.039 -2.995 343 HA ILE 34 HA ILE 34 -3.207 1.755 -4.596 344 HB ILE 34 HB ILE 34 -3.690 3.053 -2.687 345 1HG1 ILE 34 2HG1 ILE 34 -2.019 1.452 -0.802 346 2HG1 ILE 34 1HG1 ILE 34 -1.213 2.673 -1.784 347 1HG2 ILE 34 1HG2 ILE 34 -4.946 0.998 -2.837 348 2HG2 ILE 34 2HG2 ILE 34 -4.676 1.419 -1.146 349 3HG2 ILE 34 3HG2 ILE 34 -3.717 0.147 -1.903 350 1HD1 ILE 34 1HD1 ILE 34 -1.833 3.567 0.376 351 2HD1 ILE 34 2HD1 ILE 34 -3.519 3.137 0.089 352 3HD1 ILE 34 3HD1 ILE 34 -2.741 4.367 -0.907 353 H ASP 35 HN ASP 35 -2.245 3.353 -5.735 354 HA ASP 35 HA ASP 35 0.451 4.132 -4.882 355 1HB ASP 35 2HB ASP 35 0.897 4.879 -7.124 356 2HB ASP 35 1HB ASP 35 0.242 3.252 -7.209 357 H ALA 36 HN ALA 36 0.777 6.024 -4.041 358 HA ALA 36 HA ALA 36 -1.166 8.175 -4.484 359 1HB ALA 36 1HB ALA 36 -1.237 8.677 -2.097 360 2HB ALA 36 2HB ALA 36 -0.200 7.290 -1.766 361 3HB ALA 36 3HB ALA 36 -1.821 7.043 -2.416 362 HA PRO 37 HA PRO 37 2.508 10.523 -4.996 363 1HB PRO 37 2HB PRO 37 1.508 13.024 -4.756 364 2HB PRO 37 1HB PRO 37 1.185 11.994 -6.155 365 1HG PRO 37 2HG PRO 37 -0.534 12.577 -3.783 366 2HG PRO 37 1HG PRO 37 -0.991 12.431 -5.489 367 1HD PRO 37 2HD PRO 37 -1.350 10.449 -3.642 368 2HD PRO 37 1HD PRO 37 -1.133 10.147 -5.378 369 H LYS 38 HN LYS 38 1.964 9.580 -2.250 370 HA LYS 38 HA LYS 38 2.987 9.736 -0.246 371 1HB LYS 38 2HB LYS 38 4.594 11.814 -1.712 372 2HB LYS 38 1HB LYS 38 4.957 11.289 -0.069 373 1HG LYS 38 2HG LYS 38 4.745 9.393 -2.390 374 2HG LYS 38 1HG LYS 38 6.259 10.149 -1.886 375 1HD LYS 38 2HD LYS 38 4.601 8.759 0.165 376 2HD LYS 38 1HD LYS 38 5.535 7.783 -0.980 377 1HE LYS 38 2HE LYS 38 6.669 9.990 0.726 378 2HE LYS 38 1HE LYS 38 6.792 8.268 1.093 379 1HZ LYS 38 1HZ LYS 38 8.009 9.758 -1.157 380 2HZ LYS 38 2HZ LYS 38 7.939 8.065 -1.120 381 3HZ LYS 38 3HZ LYS 38 8.799 8.906 0.073 382 H HIS 39 HN HIS 39 0.744 11.621 -1.105 383 HA HIS 39 HA HIS 39 0.699 13.794 0.652 384 1HB HIS 39 2HB HIS 39 -1.704 13.721 0.436 385 2HB HIS 39 1HB HIS 39 -1.033 13.235 -1.117 386 HD1 HIS 39 1HD HIS 39 -0.449 10.297 0.414 387 HD2 HIS 39 2HD HIS 39 -4.046 12.201 -0.391 388 HE1 HIS 39 1HE HIS 39 -2.158 8.511 0.528 389 HE2 HIS 39 2HE HIS 39 -4.385 9.704 0.246 390 H ILE 40 HN ILE 40 -0.885 13.759 2.618 391 HA ILE 40 HA ILE 40 -0.175 11.682 4.471 392 HB ILE 40 HB ILE 40 -1.535 12.817 6.084 393 1HG1 ILE 40 2HG1 ILE 40 -3.403 13.215 4.368 394 2HG1 ILE 40 1HG1 ILE 40 -3.188 14.436 5.628 395 1HG2 ILE 40 1HG2 ILE 40 -0.115 14.845 4.368 396 2HG2 ILE 40 2HG2 ILE 40 0.590 13.881 5.667 397 3HG2 ILE 40 3HG2 ILE 40 -0.626 15.104 6.035 398 1HD1 ILE 40 1HD1 ILE 40 -2.340 14.597 2.744 399 2HD1 ILE 40 2HD1 ILE 40 -1.906 15.790 3.966 400 3HD1 ILE 40 3HD1 ILE 40 -3.600 15.530 3.551 401 H ASP 41 HN ASP 41 -1.725 10.159 5.320 402 HA ASP 41 HA ASP 41 -3.774 9.605 3.327 403 1HB ASP 41 2HB ASP 41 -3.895 7.344 4.493 404 2HB ASP 41 1HB ASP 41 -2.440 7.735 3.571 405 H ILE 42 HN ILE 42 -5.744 10.051 3.634 406 HA ILE 42 HA ILE 42 -6.623 11.196 6.116 407 HB ILE 42 HB ILE 42 -8.347 10.592 3.718 408 1HG1 ILE 42 2HG1 ILE 42 -6.303 11.730 2.962 409 2HG1 ILE 42 1HG1 ILE 42 -7.726 12.754 2.784 410 1HG2 ILE 42 1HG2 ILE 42 -8.474 12.789 5.780 411 2HG2 ILE 42 2HG2 ILE 42 -9.481 11.342 5.757 412 3HG2 ILE 42 3HG2 ILE 42 -9.616 12.530 4.460 413 1HD1 ILE 42 1HD1 ILE 42 -5.841 14.036 3.602 414 2HD1 ILE 42 2HD1 ILE 42 -5.662 12.936 4.968 415 3HD1 ILE 42 3HD1 ILE 42 -7.101 13.946 4.835 416 H HIS 43 HN HIS 43 -8.272 10.393 7.438 417 HA HIS 43 HA HIS 43 -9.323 7.743 6.801 418 1HB HIS 43 2HB HIS 43 -8.356 8.348 9.595 419 2HB HIS 43 1HB HIS 43 -8.839 6.793 8.910 420 HD1 HIS 43 1HD HIS 43 -5.913 8.437 9.947 421 HD2 HIS 43 2HD HIS 43 -6.906 6.292 6.521 422 HE1 HIS 43 1HE HIS 43 -3.726 7.693 8.938 423 HE2 HIS 43 2HE HIS 43 -4.342 6.599 6.786 424 H ARG 44 HN ARG 44 -11.149 7.216 8.420 425 HA ARG 44 HA ARG 44 -12.815 9.626 8.323 426 1HB ARG 44 2HB ARG 44 -13.499 7.407 7.253 427 2HB ARG 44 1HB ARG 44 -13.777 6.824 8.888 428 1HG ARG 44 2HG ARG 44 -15.827 7.622 7.771 429 2HG ARG 44 1HG ARG 44 -15.465 8.496 9.261 430 1HD ARG 44 2HD ARG 44 -16.174 10.016 7.478 431 2HD ARG 44 1HD ARG 44 -14.512 10.329 7.971 432 HE ARG 44 HE ARG 44 -15.020 8.663 5.602 433 1HH1 ARG 44 1HH1 ARG 44 -13.755 11.602 7.038 434 2HH1 ARG 44 2HH1 ARG 44 -12.985 12.139 5.574 435 1HH2 ARG 44 1HH2 ARG 44 -13.998 9.369 3.677 436 2HH2 ARG 44 2HH2 ARG 44 -13.126 10.871 3.660 437 H LYS 45 HN LYS 45 -12.621 6.852 10.537 438 HA LYS 45 HA LYS 45 -12.364 8.752 12.779 439 1HB LYS 45 2HB LYS 45 -14.661 7.657 12.618 440 2HB LYS 45 1HB LYS 45 -13.865 6.119 12.896 441 1HG LYS 45 2HG LYS 45 -13.651 8.413 14.826 442 2HG LYS 45 1HG LYS 45 -14.964 7.237 14.887 443 1HD LYS 45 2HD LYS 45 -13.296 5.435 15.123 444 2HD LYS 45 1HD LYS 45 -12.015 6.649 15.141 445 1HE LYS 45 2HE LYS 45 -12.521 6.009 17.399 446 2HE LYS 45 1HE LYS 45 -13.070 7.662 17.137 447 1HZ LYS 45 1HZ LYS 45 -14.722 5.205 17.262 448 2HZ LYS 45 2HZ LYS 45 -15.323 6.689 16.703 449 3HZ LYS 45 3HZ LYS 45 -14.776 6.545 18.298 450 H GLU 46 HN GLU 46 -12.222 5.302 12.027 451 HA GLU 46 HA GLU 46 -9.535 5.135 13.174 452 1HB GLU 46 2HB GLU 46 -11.258 3.397 13.764 453 2HB GLU 46 1HB GLU 46 -11.312 2.934 12.069 454 1HG GLU 46 2HG GLU 46 -9.933 1.449 13.504 455 2HG GLU 46 1HG GLU 46 -9.062 2.150 12.138 456 H ILE 47 HN ILE 47 -7.920 3.882 11.734 457 HA ILE 47 HA ILE 47 -7.821 5.240 9.252 458 HB ILE 47 HB ILE 47 -5.855 4.008 8.707 459 1HG1 ILE 47 2HG1 ILE 47 -6.330 2.321 11.176 460 2HG1 ILE 47 1HG1 ILE 47 -6.652 1.783 9.531 461 1HG2 ILE 47 1HG2 ILE 47 -5.562 5.829 10.255 462 2HG2 ILE 47 2HG2 ILE 47 -4.464 4.522 10.697 463 3HG2 ILE 47 3HG2 ILE 47 -5.943 4.780 11.622 464 1HD1 ILE 47 1HD1 ILE 47 -3.946 2.643 10.518 465 2HD1 ILE 47 2HD1 ILE 47 -4.336 1.874 8.975 466 3HD1 ILE 47 3HD1 ILE 47 -4.511 0.972 10.481 467 H TYR 48 HN TYR 48 -8.885 4.816 7.497 468 HA TYR 48 HA TYR 48 -10.098 2.213 7.156 469 1HB TYR 48 2HB TYR 48 -11.452 3.260 5.422 470 2HB TYR 48 1HB TYR 48 -11.496 4.177 6.922 471 HD1 TYR 48 1HD TYR 48 -8.980 4.277 4.157 472 HD2 TYR 48 2HD TYR 48 -11.992 6.311 6.347 473 HE1 TYR 48 1HE TYR 48 -8.497 6.328 2.885 474 HE2 TYR 48 2HE TYR 48 -11.515 8.374 5.111 475 HH TYR 48 HH TYR 48 -9.518 8.422 2.319 476 H LEU 49 HN LEU 49 -7.240 3.559 6.346 477 HA LEU 49 HA LEU 49 -7.121 2.487 3.631 478 1HB LEU 49 2HB LEU 49 -5.865 4.716 5.018 479 2HB LEU 49 1HB LEU 49 -4.684 3.704 4.209 480 HG LEU 49 HG LEU 49 -7.096 4.852 2.814 481 1HD1 LEU 49 1HD1 LEU 49 -4.286 5.934 2.933 482 2HD1 LEU 49 2HD1 LEU 49 -5.720 6.682 3.636 483 3HD1 LEU 49 3HD1 LEU 49 -5.572 6.530 1.883 484 1HD2 LEU 49 1HD2 LEU 49 -4.523 3.656 1.794 485 2HD2 LEU 49 2HD2 LEU 49 -5.809 4.337 0.797 486 3HD2 LEU 49 3HD2 LEU 49 -6.112 2.891 1.759 487 H THR 50 HN THR 50 -4.650 2.807 6.135 488 HA THR 50 HA THR 50 -3.361 1.294 7.200 489 HB THR 50 HB THR 50 -5.297 -0.732 6.106 490 HG1 THR 50 1HG THR 50 -5.348 0.166 8.756 491 1HG2 THR 50 1HG2 THR 50 -3.339 -0.957 8.393 492 2HG2 THR 50 2HG2 THR 50 -3.259 -1.830 6.864 493 3HG2 THR 50 3HG2 THR 50 -4.573 -2.155 7.992 494 H ILE 51 HN ILE 51 -3.593 1.650 4.008 495 HA ILE 51 HA ILE 51 -1.749 -0.439 3.228 496 HB ILE 51 HB ILE 51 -2.529 1.753 1.387 497 1HG1 ILE 51 2HG1 ILE 51 -4.507 0.944 2.781 498 2HG1 ILE 51 1HG1 ILE 51 -4.637 0.840 1.057 499 1HG2 ILE 51 1HG2 ILE 51 -0.977 0.028 0.638 500 2HG2 ILE 51 2HG2 ILE 51 -2.516 -0.110 -0.213 501 3HG2 ILE 51 3HG2 ILE 51 -2.132 -1.224 1.098 502 1HD1 ILE 51 1HD1 ILE 51 -5.523 -1.123 2.161 503 2HD1 ILE 51 2HD1 ILE 51 -3.914 -1.435 2.819 504 3HD1 ILE 51 3HD1 ILE 51 -4.184 -1.490 1.073 505 H GLN 52 HN GLN 52 -1.776 3.060 2.490 506 HA GLN 52 HA GLN 52 1.091 3.136 2.596 507 1HB GLN 52 2HB GLN 52 1.008 5.290 1.798 508 2HB GLN 52 1HB GLN 52 -0.506 4.649 1.165 509 1HG GLN 52 2HG GLN 52 -1.784 5.877 2.647 510 2HG GLN 52 1HG GLN 52 -0.457 6.062 3.795 511 1HE2 GLN 52 1HE2 GLN 52 -0.476 8.238 3.947 512 2HE2 GLN 52 2HE2 GLN 52 -0.080 9.300 2.634 513 H GLU 53 HN GLU 53 -1.344 3.292 4.918 514 HA GLU 53 HA GLU 53 -0.024 5.031 6.767 515 1HB GLU 53 2HB GLU 53 -2.514 4.204 6.701 516 2HB GLU 53 1HB GLU 53 -1.898 2.816 7.587 517 1HG GLU 53 2HG GLU 53 -1.528 5.653 8.516 518 2HG GLU 53 1HG GLU 53 -2.925 4.673 8.946 519 H GLU 54 HN GLU 54 0.002 1.627 5.972 520 HA GLU 54 HA GLU 54 1.919 0.875 7.942 521 1HB GLU 54 2HB GLU 54 0.845 -0.375 5.425 522 2HB GLU 54 1HB GLU 54 2.253 -1.074 6.232 523 1HG GLU 54 2HG GLU 54 -0.484 -0.662 7.413 524 2HG GLU 54 1HG GLU 54 0.251 -2.198 6.950 525 H ASN 55 HN ASN 55 2.038 2.074 4.642 526 HA ASN 55 HA ASN 55 4.963 1.937 4.630 527 1HB ASN 55 2HB ASN 55 3.639 1.291 2.586 528 2HB ASN 55 1HB ASN 55 3.104 2.960 2.476 529 1HD2 ASN 55 1HD2 ASN 55 5.743 0.765 2.012 530 2HD2 ASN 55 2HD2 ASN 55 6.786 1.868 1.182 531 H ASN 56 HN ASN 56 3.305 4.467 2.976 532 HA ASN 56 HA ASN 56 3.414 6.723 3.024 533 1HB ASN 56 2HB ASN 56 2.541 6.420 5.361 534 2HB ASN 56 1HB ASN 56 4.211 6.451 5.930 535 1HD2 ASN 56 1HD2 ASN 56 2.009 8.236 6.571 536 2HD2 ASN 56 2HD2 ASN 56 2.533 9.828 6.119 537 H ARG 57 HN ARG 57 5.980 5.254 4.885 538 HA ARG 57 HA ARG 57 7.998 6.839 3.440 539 1HB ARG 57 2HB ARG 57 9.321 6.063 5.629 540 2HB ARG 57 1HB ARG 57 8.323 7.516 5.617 541 1HG ARG 57 2HG ARG 57 6.462 6.282 6.554 542 2HG ARG 57 1HG ARG 57 7.403 4.792 6.515 543 1HD ARG 57 2HD ARG 57 7.306 5.812 8.745 544 2HD ARG 57 1HD ARG 57 8.950 5.679 8.129 545 HE ARG 57 HE ARG 57 8.216 8.186 7.402 546 1HH1 ARG 57 1HH1 ARG 57 8.120 6.485 10.456 547 2HH1 ARG 57 2HH1 ARG 57 8.425 7.903 11.408 548 1HH2 ARG 57 1HH2 ARG 57 8.625 10.056 8.631 549 2HH2 ARG 57 2HH2 ARG 57 8.714 9.947 10.370 550 H ALA 58 HN ALA 58 7.756 3.832 5.340 551 HA ALA 58 HA ALA 58 8.574 2.188 3.138 552 1HB ALA 58 1HB ALA 58 10.462 2.506 5.472 553 2HB ALA 58 2HB ALA 58 10.743 3.087 3.831 554 3HB ALA 58 3HB ALA 58 10.634 1.355 4.145 555 H ALA 59 HN ALA 59 6.808 0.931 3.511 556 HA ALA 59 HA ALA 59 6.044 -0.090 6.050 557 1HB ALA 59 1HB ALA 59 4.464 0.073 4.195 558 2HB ALA 59 2HB ALA 59 4.574 -1.583 4.788 559 3HB ALA 59 3HB ALA 59 5.388 -1.127 3.290 560 H ALA 60 HN ALA 60 6.466 -2.045 7.017 561 HA ALA 60 HA ALA 60 8.916 -3.312 6.488 562 1HB ALA 60 1HB ALA 60 6.587 -4.361 8.090 563 2HB ALA 60 2HB ALA 60 7.859 -3.302 8.700 564 3HB ALA 60 3HB ALA 60 8.251 -4.938 8.174 565 H LEU 61 HN LEU 61 5.739 -3.863 5.307 566 HA LEU 61 HA LEU 61 6.109 -6.501 4.340 567 1HB LEU 61 2HB LEU 61 4.219 -4.320 3.463 568 2HB LEU 61 1HB LEU 61 4.170 -5.954 2.837 569 HG LEU 61 HG LEU 61 3.812 -6.701 5.261 570 1HD1 LEU 61 1HD1 LEU 61 2.802 -5.034 6.746 571 2HD1 LEU 61 2HD1 LEU 61 3.162 -3.773 5.566 572 3HD1 LEU 61 3HD1 LEU 61 4.477 -4.637 6.362 573 1HD2 LEU 61 1HD2 LEU 61 1.698 -5.049 3.889 574 2HD2 LEU 61 2HD2 LEU 61 1.414 -6.263 5.137 575 3HD2 LEU 61 3HD2 LEU 61 2.062 -6.744 3.570 576 H SER 62 HN SER 62 6.118 -3.375 2.638 577 HA SER 62 HA SER 62 7.105 -4.578 0.250 578 1HB SER 62 2HB SER 62 6.678 -1.660 0.882 579 2HB SER 62 1HB SER 62 6.875 -2.370 -0.724 580 HG SER 62 HG SER 62 4.800 -2.636 -0.688 581 H SER 63 HN SER 63 8.683 -3.872 2.979 582 HA SER 63 HA SER 63 11.083 -2.792 1.824 583 1HB SER 63 2HB SER 63 10.296 -2.520 4.260 584 2HB SER 63 1HB SER 63 10.870 -4.170 4.492 585 HG SER 63 HG SER 63 12.494 -2.108 3.407 586 H ASP 64 HN ASP 64 9.653 -5.388 1.068 587 HA ASP 64 HA ASP 64 10.060 -7.525 0.509 588 1HB ASP 64 2HB ASP 64 12.726 -6.237 -0.006 589 2HB ASP 64 1HB ASP 64 12.423 -7.925 -0.408 590 H VAL 65 HN VAL 65 10.325 -6.788 3.250 591 HA VAL 65 HA VAL 65 12.380 -8.347 4.420 592 HB VAL 65 HB VAL 65 9.760 -7.367 5.553 593 1HG1 VAL 65 1HG1 VAL 65 10.777 -7.773 7.770 594 2HG1 VAL 65 2HG1 VAL 65 12.155 -8.538 6.976 595 3HG1 VAL 65 3HG1 VAL 65 10.551 -9.261 6.852 596 1HG2 VAL 65 1HG2 VAL 65 12.556 -6.278 5.857 597 2HG2 VAL 65 2HG2 VAL 65 11.101 -5.629 6.612 598 3HG2 VAL 65 3HG2 VAL 65 11.280 -5.580 4.860 599 H ILE 66 HN ILE 66 8.966 -8.778 3.704 600 HA ILE 66 HA ILE 66 9.232 -11.616 3.413 601 HB ILE 66 HB ILE 66 7.031 -11.640 5.078 602 1HG1 ILE 66 2HG1 ILE 66 7.940 -10.723 7.255 603 2HG1 ILE 66 1HG1 ILE 66 9.157 -9.873 6.315 604 1HG2 ILE 66 1HG2 ILE 66 8.432 -12.963 6.565 605 2HG2 ILE 66 2HG2 ILE 66 9.877 -12.345 5.764 606 3HG2 ILE 66 3HG2 ILE 66 8.740 -13.358 4.872 607 1HD1 ILE 66 1HD1 ILE 66 6.179 -9.469 6.155 608 2HD1 ILE 66 2HD1 ILE 66 7.381 -8.632 5.172 609 3HD1 ILE 66 3HD1 ILE 66 7.349 -8.391 6.920 610 H SER 67 HN SER 67 6.961 -8.928 3.769 611 HA SER 67 HA SER 67 4.968 -8.422 2.868 612 1HB SER 67 2HB SER 67 6.457 -8.043 0.939 613 2HB SER 67 1HB SER 67 6.189 -9.703 0.426 614 HG SER 67 HG SER 67 4.349 -9.119 -0.433 615 H ALA 68 HN ALA 68 5.107 -11.149 0.673 616 HA ALA 68 HA ALA 68 2.630 -12.185 1.563 617 1HB ALA 68 1HB ALA 68 3.050 -14.024 0.037 618 2HB ALA 68 2HB ALA 68 4.741 -13.543 -0.108 619 3HB ALA 68 3HB ALA 68 3.470 -12.490 -0.727 620 H LEU 69 HN LEU 69 2.240 -13.308 3.317 621 HA LEU 69 HA LEU 69 2.469 -14.631 5.141 622 1HB LEU 69 2HB LEU 69 4.652 -16.011 3.574 623 2HB LEU 69 1HB LEU 69 3.746 -16.672 4.924 624 HG LEU 69 HG LEU 69 2.551 -15.954 2.242 625 1HD1 LEU 69 1HD1 LEU 69 2.432 -18.355 1.855 626 2HD1 LEU 69 2HD1 LEU 69 3.254 -18.654 3.387 627 3HD1 LEU 69 3HD1 LEU 69 4.105 -17.838 2.076 628 1HD2 LEU 69 1HD2 LEU 69 0.972 -15.802 4.105 629 2HD2 LEU 69 2HD2 LEU 69 1.395 -17.440 4.603 630 3HD2 LEU 69 3HD2 LEU 69 0.596 -17.167 3.054 631 H SER 70 HN SER 70 3.281 -12.708 6.192 632 HA SER 70 HA SER 70 6.035 -12.076 6.274 633 1HB SER 70 2HB SER 70 3.868 -11.305 8.244 634 2HB SER 70 1HB SER 70 5.408 -10.478 7.995 635 HG SER 70 HG SER 70 4.252 -10.638 5.632 636 H SER 71 HN SER 71 3.987 -14.130 8.230 637 HA SER 71 HA SER 71 5.970 -14.478 10.288 638 1HB SER 71 2HB SER 71 3.494 -14.663 10.679 639 2HB SER 71 1HB SER 71 3.508 -16.154 9.739 640 HG SER 71 HG SER 71 4.489 -15.631 12.298 641 H GLN 72 HN GLN 72 4.943 -16.107 7.375 642 HA GLN 72 HA GLN 72 5.665 -17.900 6.214 643 1HB GLN 72 2HB GLN 72 8.229 -17.368 7.718 644 2HB GLN 72 1HB GLN 72 8.079 -18.509 6.389 645 1HG GLN 72 2HG GLN 72 7.335 -16.632 4.948 646 2HG GLN 72 1HG GLN 72 7.692 -15.521 6.272 647 1HE2 GLN 72 1HE2 GLN 72 8.978 -17.572 3.810 648 2HE2 GLN 72 2HE2 GLN 72 10.628 -17.067 3.945 649 H LYS 73 HN LYS 73 4.376 -19.498 6.915 650 HA LYS 73 HA LYS 73 4.971 -20.833 9.436 651 1HB LYS 73 2HB LYS 73 2.715 -21.336 7.482 652 2HB LYS 73 1HB LYS 73 2.876 -22.053 9.075 653 1HG LYS 73 2HG LYS 73 1.314 -20.383 9.395 654 2HG LYS 73 1HG LYS 73 2.813 -19.634 9.944 655 1HD LYS 73 2HD LYS 73 3.022 -18.384 7.929 656 2HD LYS 73 1HD LYS 73 1.737 -19.308 7.149 657 1HE LYS 73 2HE LYS 73 1.412 -17.429 9.487 658 2HE LYS 73 1HE LYS 73 0.947 -17.103 7.817 659 1HZ LYS 73 1HZ LYS 73 -0.273 -18.986 9.739 660 2HZ LYS 73 2HZ LYS 73 -0.485 -19.194 8.072 661 3HZ LYS 73 3HZ LYS 73 -1.018 -17.769 8.821 662 H LYS 74 HN LYS 74 6.526 -22.304 9.322 663 HA LYS 74 HA LYS 74 6.764 -23.947 6.912 664 1HB LYS 74 2HB LYS 74 8.621 -23.767 9.291 665 2HB LYS 74 1HB LYS 74 8.938 -24.618 7.787 666 1HG LYS 74 2HG LYS 74 8.860 -22.447 6.594 667 2HG LYS 74 1HG LYS 74 8.683 -21.631 8.150 668 1HD LYS 74 2HD LYS 74 10.830 -22.825 8.833 669 2HD LYS 74 1HD LYS 74 11.019 -23.234 7.129 670 1HE LYS 74 2HE LYS 74 12.281 -21.274 7.445 671 2HE LYS 74 1HE LYS 74 10.792 -20.752 6.658 672 1HZ LYS 74 1HZ LYS 74 9.931 -20.117 8.848 673 2HZ LYS 74 2HZ LYS 74 11.339 -19.270 8.459 674 3HZ LYS 74 3HZ LYS 74 11.400 -20.561 9.559
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