NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
561668 | 2m2j | 18917 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H HIS 21 HT1 HIS 21 1.641 0.815 -0.300 2 HA HIS 21 HA HIS 21 2.698 1.285 -2.369 3 HB2 HIS 21 HB2 HIS 21 5.050 -0.037 -1.013 4 HB3 HIS 21 HB1 HIS 21 4.910 -0.171 -2.758 5 HD1 HIS 21 HD1 HIS 21 5.730 1.739 -4.120 6 HD2 HIS 21 HD2 HIS 21 5.397 2.723 -0.093 7 HE1 HIS 21 HE1 HIS 21 6.812 3.997 -3.885 8 HE2 HIS 21 HE2 HIS 21 6.788 4.452 -1.419 9 H ALA 22 HN ALA 22 2.955 -0.317 -4.138 10 HA ALA 22 HA ALA 22 2.328 -3.103 -3.700 11 HB1 ALA 22 HB1 ALA 22 0.270 -1.334 -5.092 12 HB2 ALA 22 HB2 ALA 22 0.057 -2.118 -3.527 13 HB3 ALA 22 HB3 ALA 22 0.210 -3.098 -4.987 14 H ALA 23 HN ALA 23 2.937 -4.313 -5.527 15 HA ALA 23 HA ALA 23 4.671 -3.050 -7.415 16 HB1 ALA 23 HB1 ALA 23 4.961 -5.295 -8.367 17 HB2 ALA 23 HB2 ALA 23 3.601 -5.894 -7.409 18 HB3 ALA 23 HB3 ALA 23 5.070 -5.336 -6.606 19 H THR 24 HN THR 24 4.354 -2.541 -9.546 20 HA THR 24 HA THR 24 1.650 -2.073 -10.445 21 HB THR 24 HB THR 24 4.331 -1.542 -11.819 22 HG1 THR 24 HG1 THR 24 2.640 0.057 -10.168 23 HG21 THR 24 HG21 THR 24 2.475 -1.556 -13.463 24 HG22 THR 24 HG22 THR 24 3.089 0.080 -13.216 25 HG23 THR 24 HG23 THR 24 1.575 -0.415 -12.458 26 H GLU 25 HN GLU 25 0.516 -3.199 -12.034 27 HA GLU 25 HA GLU 25 1.412 -5.761 -12.932 28 HB2 GLU 25 HB2 GLU 25 -1.014 -5.168 -12.680 29 HB3 GLU 25 HB1 GLU 25 -0.879 -4.066 -14.051 30 HG2 GLU 25 HG2 GLU 25 -0.321 -5.971 -15.529 31 HG3 GLU 25 HG1 GLU 25 -0.437 -7.076 -14.163 32 H LEU 26 HN LEU 26 2.808 -6.144 -14.516 33 HA LEU 26 HA LEU 26 3.629 -3.981 -16.330 34 HB2 LEU 26 HB2 LEU 26 5.256 -5.249 -14.735 35 HB3 LEU 26 HB1 LEU 26 5.101 -6.596 -15.844 36 HG LEU 26 HG LEU 26 5.977 -5.090 -17.687 37 HD11 LEU 26 HD11 LEU 26 6.541 -3.172 -15.396 38 HD12 LEU 26 HD12 LEU 26 5.388 -2.918 -16.712 39 HD13 LEU 26 HD13 LEU 26 7.112 -3.002 -17.058 40 HD21 LEU 26 HD21 LEU 26 7.462 -6.689 -16.554 41 HD22 LEU 26 HD22 LEU 26 7.831 -5.491 -15.310 42 HD23 LEU 26 HD23 LEU 26 8.330 -5.215 -16.982 43 H THR 27 HN THR 27 3.241 -4.133 -18.457 44 HA THR 27 HA THR 27 1.574 -6.177 -19.564 45 HB THR 27 HB THR 27 1.860 -4.889 -21.704 46 HG1 THR 27 HG1 THR 27 3.113 -2.721 -20.827 47 HG21 THR 27 HG21 THR 27 0.789 -2.791 -20.952 48 HG22 THR 27 HG22 THR 27 1.263 -3.132 -19.287 49 HG23 THR 27 HG23 THR 27 0.106 -4.183 -20.110 50 HA PRO 28 HA PRO 28 4.595 -9.120 -21.113 51 HB2 PRO 28 HB2 PRO 28 3.598 -9.747 -23.638 52 HB3 PRO 28 HB1 PRO 28 2.951 -10.392 -22.123 53 HG2 PRO 28 HG2 PRO 28 1.987 -8.034 -23.751 54 HG3 PRO 28 HG1 PRO 28 1.039 -9.354 -23.029 55 HD2 PRO 28 HD2 PRO 28 1.162 -6.967 -21.834 56 HD3 PRO 28 HD1 PRO 28 1.210 -8.455 -20.857 57 H GLU 29 HN GLU 29 3.995 -6.202 -22.926 58 HA GLU 29 HA GLU 29 6.162 -6.406 -24.794 59 HB2 GLU 29 HB2 GLU 29 4.706 -3.926 -23.784 60 HB3 GLU 29 HB1 GLU 29 5.752 -4.004 -25.205 61 HG2 GLU 29 HG2 GLU 29 4.160 -5.649 -26.221 62 HG3 GLU 29 HG1 GLU 29 3.096 -5.426 -24.832 63 H GLN 30 HN GLN 30 5.697 -4.559 -21.773 64 HA GLN 30 HA GLN 30 8.382 -3.628 -21.552 65 HB2 GLN 30 HB2 GLN 30 6.171 -3.848 -19.478 66 HB3 GLN 30 HB1 GLN 30 7.710 -3.044 -19.187 67 HG2 GLN 30 HG2 GLN 30 5.730 -2.195 -21.322 68 HG3 GLN 30 HG1 GLN 30 5.779 -1.523 -19.693 69 HE21 GLN 30 HE21 GLN 30 6.228 0.561 -20.400 70 HE22 GLN 30 HE22 GLN 30 7.743 1.022 -21.088 71 H ALA 31 HN ALA 31 6.695 -6.466 -20.395 72 HA ALA 31 HA ALA 31 8.614 -7.418 -18.526 73 HB1 ALA 31 HB1 ALA 31 7.338 -9.525 -18.610 74 HB2 ALA 31 HB2 ALA 31 6.454 -8.944 -20.025 75 HB3 ALA 31 HB3 ALA 31 6.260 -8.134 -18.470 76 H ALA 32 HN ALA 32 8.086 -7.944 -22.002 77 HA ALA 32 HA ALA 32 10.026 -9.999 -22.385 78 HB1 ALA 32 HB1 ALA 32 9.773 -9.525 -24.787 79 HB2 ALA 32 HB2 ALA 32 8.905 -8.032 -24.407 80 HB3 ALA 32 HB3 ALA 32 8.204 -9.593 -23.982 81 H ALA 33 HN ALA 33 10.284 -6.543 -22.092 82 HA ALA 33 HA ALA 33 13.026 -6.431 -23.158 83 HB1 ALA 33 HB1 ALA 33 11.235 -4.226 -22.077 84 HB2 ALA 33 HB2 ALA 33 11.470 -4.638 -23.777 85 HB3 ALA 33 HB3 ALA 33 12.815 -3.999 -22.835 86 H LEU 34 HN LEU 34 11.779 -7.425 -20.307 87 HA LEU 34 HA LEU 34 14.152 -6.558 -18.754 88 HB2 LEU 34 HB2 LEU 34 11.282 -6.826 -17.750 89 HB3 LEU 34 HB1 LEU 34 12.675 -6.664 -16.688 90 HG LEU 34 HG LEU 34 11.714 -4.569 -18.675 91 HD11 LEU 34 HD11 LEU 34 11.062 -3.255 -16.699 92 HD12 LEU 34 HD12 LEU 34 11.517 -4.597 -15.643 93 HD13 LEU 34 HD13 LEU 34 10.183 -4.780 -16.785 94 HD21 LEU 34 HD21 LEU 34 13.384 -3.070 -17.631 95 HD22 LEU 34 HD22 LEU 34 14.142 -4.450 -18.420 96 HD23 LEU 34 HD23 LEU 34 13.988 -4.418 -16.661 97 H LYS 35 HN LYS 35 14.975 -8.114 -17.298 98 HA LYS 35 HA LYS 35 14.013 -10.895 -17.625 99 HB2 LYS 35 HB2 LYS 35 16.349 -10.567 -18.317 100 HB3 LYS 35 HB1 LYS 35 16.735 -9.818 -16.773 101 HG2 LYS 35 HG2 LYS 35 16.314 -11.970 -15.621 102 HG3 LYS 35 HG1 LYS 35 15.907 -12.714 -17.167 103 HD2 LYS 35 HD2 LYS 35 18.191 -13.314 -16.554 104 HD3 LYS 35 HD1 LYS 35 18.214 -12.270 -17.977 105 HE2 LYS 35 HE2 LYS 35 18.763 -10.327 -16.499 106 HE3 LYS 35 HE1 LYS 35 18.817 -11.428 -15.119 107 HZ1 LYS 35 HZ1 LYS 35 21.013 -10.979 -16.003 108 HZ2 LYS 35 HZ2 LYS 35 20.562 -11.576 -17.518 109 HZ3 LYS 35 HZ3 LYS 35 20.623 -12.613 -16.183 110 HA PRO 36 HA PRO 36 12.624 -10.344 -13.321 111 HB2 PRO 36 HB2 PRO 36 11.757 -12.910 -12.871 112 HB3 PRO 36 HB1 PRO 36 10.829 -11.738 -13.819 113 HG2 PRO 36 HG2 PRO 36 12.668 -13.926 -14.785 114 HG3 PRO 36 HG1 PRO 36 11.049 -13.490 -15.373 115 HD2 PRO 36 HD2 PRO 36 13.295 -12.676 -16.654 116 HD3 PRO 36 HD1 PRO 36 11.842 -11.655 -16.588 117 H TYR 37 HN TYR 37 13.735 -10.497 -11.447 118 HA TYR 37 HA TYR 37 16.194 -12.014 -11.248 119 HB2 TYR 37 HB2 TYR 37 16.503 -10.943 -9.092 120 HB3 TYR 37 HB1 TYR 37 15.959 -9.732 -10.239 121 HD1 TYR 37 HD1 TYR 37 13.381 -9.164 -10.197 122 HD2 TYR 37 HD2 TYR 37 15.405 -11.121 -6.976 123 HE1 TYR 37 HE1 TYR 37 11.605 -8.468 -8.650 124 HE2 TYR 37 HE2 TYR 37 13.614 -10.424 -5.441 125 HH TYR 37 HH TYR 37 11.919 -8.617 -5.311 126 H ASP 38 HN ASP 38 12.910 -12.440 -10.422 127 HA ASP 38 HA ASP 38 13.268 -15.079 -9.307 128 HB2 ASP 38 HB2 ASP 38 13.618 -13.579 -7.318 129 HB3 ASP 38 HB1 ASP 38 12.053 -12.836 -7.614 130 H ARG 39 HN ARG 39 10.980 -15.950 -8.772 131 HA ARG 39 HA ARG 39 8.786 -14.691 -10.268 132 HB2 ARG 39 HB2 ARG 39 10.024 -16.289 -11.772 133 HB3 ARG 39 HB1 ARG 39 9.713 -17.578 -10.615 134 HG2 ARG 39 HG2 ARG 39 7.259 -17.255 -11.019 135 HG3 ARG 39 HG1 ARG 39 7.665 -16.079 -12.275 136 HD2 ARG 39 HD2 ARG 39 7.239 -18.245 -13.302 137 HD3 ARG 39 HD1 ARG 39 8.954 -17.847 -13.469 138 HE ARG 39 HE ARG 39 8.796 -19.294 -11.142 139 HH11 ARG 39 HH11 ARG 39 7.958 -20.013 -14.485 140 HH12 ARG 39 HH12 ARG 39 8.229 -21.714 -14.287 141 HH21 ARG 39 HH21 ARG 39 9.138 -21.494 -10.915 142 HH22 ARG 39 HH22 ARG 39 8.898 -22.551 -12.271 143 H ILE 40 HN ILE 40 7.114 -14.631 -8.862 144 HA ILE 40 HA ILE 40 7.082 -16.419 -6.526 145 HB ILE 40 HB ILE 40 5.418 -14.894 -5.545 146 HG12 ILE 40 HG12 ILE 40 5.646 -13.228 -8.104 147 HG13 ILE 40 HG11 ILE 40 4.243 -14.184 -7.645 148 HG21 ILE 40 HG21 ILE 40 7.817 -13.370 -6.642 149 HG22 ILE 40 HG22 ILE 40 7.807 -14.390 -5.204 150 HG23 ILE 40 HG23 ILE 40 6.857 -12.904 -5.231 151 HD11 ILE 40 HD11 ILE 40 3.902 -11.830 -7.208 152 HD12 ILE 40 HD12 ILE 40 5.312 -11.786 -6.158 153 HD13 ILE 40 HD13 ILE 40 3.896 -12.738 -5.700 154 H VAL 41 HN VAL 41 5.507 -17.899 -6.150 155 HA VAL 41 HA VAL 41 3.263 -18.147 -8.072 156 HB VAL 41 HB VAL 41 4.614 -20.481 -6.630 157 HG11 VAL 41 HG11 VAL 41 3.284 -21.907 -8.155 158 HG12 VAL 41 HG12 VAL 41 2.540 -20.470 -8.861 159 HG13 VAL 41 HG13 VAL 41 2.240 -20.878 -7.170 160 HG21 VAL 41 HG21 VAL 41 5.599 -21.136 -8.805 161 HG22 VAL 41 HG22 VAL 41 6.193 -19.558 -8.280 162 HG23 VAL 41 HG23 VAL 41 4.962 -19.660 -9.538 163 H ILE 42 HN ILE 42 1.298 -18.157 -7.174 164 HA ILE 42 HA ILE 42 0.945 -18.679 -4.271 165 HB ILE 42 HB ILE 42 -0.958 -17.094 -4.274 166 HG12 ILE 42 HG12 ILE 42 -0.096 -16.291 -7.095 167 HG13 ILE 42 HG11 ILE 42 -1.488 -17.309 -6.748 168 HG21 ILE 42 HG21 ILE 42 1.609 -15.770 -5.224 169 HG22 ILE 42 HG22 ILE 42 1.235 -16.236 -3.563 170 HG23 ILE 42 HG23 ILE 42 0.297 -14.968 -4.354 171 HD11 ILE 42 HD11 ILE 42 -2.167 -15.053 -7.202 172 HD12 ILE 42 HD12 ILE 42 -1.128 -14.440 -5.917 173 HD13 ILE 42 HD13 ILE 42 -2.518 -15.455 -5.522 174 H THR 43 HN THR 43 -1.272 -19.492 -3.775 175 HA THR 43 HA THR 43 -2.611 -20.873 -6.039 176 HB THR 43 HB THR 43 -3.538 -22.460 -4.301 177 HG1 THR 43 HG1 THR 43 -3.254 -21.173 -2.453 178 HG21 THR 43 HG21 THR 43 -1.492 -23.800 -3.982 179 HG22 THR 43 HG22 THR 43 -0.500 -22.406 -4.413 180 HG23 THR 43 HG23 THR 43 -1.558 -23.141 -5.619 181 H GLY 44 HN GLY 44 -4.828 -20.655 -6.197 182 HA2 GLY 44 HA2 GLY 44 -6.322 -19.061 -4.237 183 HA3 GLY 44 HA1 GLY 44 -6.241 -18.481 -5.900 184 H ARG 45 HN ARG 45 -7.917 -20.482 -3.748 185 HA ARG 45 HA ARG 45 -8.921 -22.391 -5.689 186 HB2 ARG 45 HB2 ARG 45 -8.554 -22.754 -3.100 187 HB3 ARG 45 HB1 ARG 45 -10.123 -21.991 -2.919 188 HG2 ARG 45 HG2 ARG 45 -9.554 -24.534 -4.487 189 HG3 ARG 45 HG1 ARG 45 -10.247 -24.469 -2.869 190 HD2 ARG 45 HD2 ARG 45 -12.261 -23.412 -3.735 191 HD3 ARG 45 HD1 ARG 45 -11.546 -23.270 -5.343 192 HE ARG 45 HE ARG 45 -11.632 -25.987 -4.450 193 HH11 ARG 45 HH11 ARG 45 -13.658 -23.472 -5.847 194 HH12 ARG 45 HH12 ARG 45 -14.695 -24.603 -6.651 195 HH21 ARG 45 HH21 ARG 45 -12.995 -27.440 -5.514 196 HH22 ARG 45 HH22 ARG 45 -14.329 -26.847 -6.451 197 H PHE 46 HN PHE 46 -9.631 -20.684 -7.152 198 HA PHE 46 HA PHE 46 -11.179 -19.509 -8.259 199 HB2 PHE 46 HB2 PHE 46 -11.994 -21.819 -8.475 200 HB3 PHE 46 HB1 PHE 46 -12.997 -21.619 -7.041 201 HD1 PHE 46 HD2 PHE 46 -12.397 -19.744 -10.264 202 HD2 PHE 46 HD1 PHE 46 -15.274 -21.317 -7.512 203 HE1 PHE 46 HE2 PHE 46 -14.225 -18.893 -11.675 204 HE2 PHE 46 HE1 PHE 46 -17.092 -20.455 -8.929 205 HZ PHE 46 HZ PHE 46 -16.569 -19.244 -11.012 206 H ASN 47 HN ASN 47 -10.923 -17.585 -7.068 207 HA ASN 47 HA ASN 47 -13.355 -16.754 -5.581 208 HB2 ASN 47 HB2 ASN 47 -10.464 -15.848 -5.169 209 HB3 ASN 47 HB1 ASN 47 -11.859 -15.061 -4.430 210 HD21 ASN 47 HD21 ASN 47 -9.822 -17.890 -4.432 211 HD22 ASN 47 HD22 ASN 47 -10.388 -18.558 -2.944 212 H ALA 48 HN ALA 48 -10.540 -15.274 -7.197 213 HA ALA 48 HA ALA 48 -11.969 -14.306 -9.455 214 HB1 ALA 48 HB1 ALA 48 -12.820 -12.639 -7.832 215 HB2 ALA 48 HB2 ALA 48 -11.773 -11.878 -9.029 216 HB3 ALA 48 HB3 ALA 48 -11.167 -12.196 -7.402 217 H ILE 49 HN ILE 49 -10.527 -13.519 -11.024 218 HA ILE 49 HA ILE 49 -7.810 -14.286 -10.829 219 HB ILE 49 HB ILE 49 -8.927 -14.276 -13.009 220 HG12 ILE 49 HG12 ILE 49 -7.180 -13.139 -14.393 221 HG13 ILE 49 HG11 ILE 49 -6.624 -12.263 -12.971 222 HG21 ILE 49 HG21 ILE 49 -9.075 -11.253 -12.798 223 HG22 ILE 49 HG22 ILE 49 -10.438 -12.372 -12.723 224 HG23 ILE 49 HG23 ILE 49 -9.514 -12.210 -14.218 225 HD11 ILE 49 HD11 ILE 49 -5.173 -14.129 -13.519 226 HD12 ILE 49 HD12 ILE 49 -6.520 -15.254 -13.364 227 HD13 ILE 49 HD13 ILE 49 -5.931 -14.378 -11.947 228 H GLY 50 HN GLY 50 -9.473 -11.174 -10.519 229 HA2 GLY 50 HA2 GLY 50 -7.168 -9.513 -10.223 230 HA3 GLY 50 HA1 GLY 50 -8.818 -9.093 -9.788 231 H ASP 51 HN ASP 51 -9.007 -11.474 -7.999 232 HA ASP 51 HA ASP 51 -8.038 -10.439 -5.523 233 HB2 ASP 51 HB2 ASP 51 -10.032 -11.888 -5.646 234 HB3 ASP 51 HB1 ASP 51 -9.066 -13.216 -6.271 235 H ALA 52 HN ALA 52 -7.035 -13.043 -7.670 236 HA ALA 52 HA ALA 52 -4.758 -13.925 -6.234 237 HB1 ALA 52 HB1 ALA 52 -5.910 -15.300 -7.913 238 HB2 ALA 52 HB2 ALA 52 -4.196 -15.123 -8.297 239 HB3 ALA 52 HB3 ALA 52 -5.402 -14.186 -9.185 240 H VAL 53 HN VAL 53 -5.159 -11.635 -8.928 241 HA VAL 53 HA VAL 53 -2.419 -11.036 -9.332 242 HB VAL 53 HB VAL 53 -4.949 -9.553 -10.163 243 HG11 VAL 53 HG11 VAL 53 -2.099 -8.940 -11.026 244 HG12 VAL 53 HG12 VAL 53 -3.134 -7.897 -10.049 245 HG13 VAL 53 HG13 VAL 53 -3.556 -8.231 -11.727 246 HG21 VAL 53 HG21 VAL 53 -4.437 -10.462 -12.412 247 HG22 VAL 53 HG22 VAL 53 -4.629 -11.758 -11.230 248 HG23 VAL 53 HG23 VAL 53 -3.015 -11.281 -11.760 249 H SER 54 HN SER 54 -4.867 -9.719 -7.171 250 HA SER 54 HA SER 54 -3.403 -7.460 -6.228 251 HB2 SER 54 HB2 SER 54 -5.863 -7.712 -5.881 252 HB3 SER 54 HB1 SER 54 -5.564 -9.065 -4.788 253 HG SER 54 HG SER 54 -4.199 -7.399 -3.614 254 H ALA 55 HN ALA 55 -3.548 -10.871 -5.292 255 HA ALA 55 HA ALA 55 -1.881 -10.671 -2.971 256 HB1 ALA 55 HB1 ALA 55 -3.439 -12.544 -3.287 257 HB2 ALA 55 HB2 ALA 55 -1.787 -13.129 -3.080 258 HB3 ALA 55 HB3 ALA 55 -2.517 -13.089 -4.688 259 H VAL 56 HN VAL 56 -1.288 -11.268 -6.404 260 HA VAL 56 HA VAL 56 1.515 -11.794 -6.219 261 HB VAL 56 HB VAL 56 -0.101 -10.774 -8.609 262 HG11 VAL 56 HG11 VAL 56 2.307 -10.301 -8.886 263 HG12 VAL 56 HG12 VAL 56 1.773 -11.548 -10.012 264 HG13 VAL 56 HG13 VAL 56 2.684 -11.996 -8.569 265 HG21 VAL 56 HG21 VAL 56 -0.883 -12.983 -7.840 266 HG22 VAL 56 HG22 VAL 56 0.763 -13.612 -7.921 267 HG23 VAL 56 HG23 VAL 56 -0.067 -13.120 -9.400 268 H SER 57 HN SER 57 -0.441 -8.874 -6.617 269 HA SER 57 HA SER 57 1.617 -6.994 -7.120 270 HB2 SER 57 HB2 SER 57 -0.772 -6.520 -7.561 271 HB3 SER 57 HB1 SER 57 -1.116 -6.572 -5.835 272 HG SER 57 HG SER 57 0.713 -4.766 -7.025 273 H ARG 58 HN ARG 58 0.056 -8.124 -4.164 274 HA ARG 58 HA ARG 58 1.378 -6.494 -2.281 275 HB2 ARG 58 HB2 ARG 58 -0.658 -7.680 -1.655 276 HB3 ARG 58 HB1 ARG 58 0.077 -9.237 -2.031 277 HG2 ARG 58 HG2 ARG 58 1.733 -8.798 -0.164 278 HG3 ARG 58 HG1 ARG 58 0.773 -7.382 0.268 279 HD2 ARG 58 HD2 ARG 58 -1.093 -8.739 0.909 280 HD3 ARG 58 HD1 ARG 58 -0.399 -10.179 0.144 281 HE ARG 58 HE ARG 58 1.471 -9.420 1.998 282 HH11 ARG 58 HH11 ARG 58 -1.927 -10.292 2.225 283 HH12 ARG 58 HH12 ARG 58 -1.764 -10.956 3.818 284 HH21 ARG 58 HH21 ARG 58 1.671 -10.298 4.041 285 HH22 ARG 58 HH22 ARG 58 0.285 -10.961 4.848 286 H ARG 59 HN ARG 59 1.958 -9.899 -3.214 287 HA ARG 59 HA ARG 59 4.165 -10.287 -1.503 288 HB2 ARG 59 HB2 ARG 59 2.797 -12.153 -2.175 289 HB3 ARG 59 HB1 ARG 59 3.156 -11.897 -3.872 290 HG2 ARG 59 HG2 ARG 59 4.310 -13.871 -2.845 291 HG3 ARG 59 HG1 ARG 59 5.395 -12.718 -3.617 292 HD2 ARG 59 HD2 ARG 59 6.286 -13.577 -1.479 293 HD3 ARG 59 HD1 ARG 59 6.070 -11.830 -1.456 294 HE ARG 59 HE ARG 59 3.770 -12.929 -0.348 295 HH11 ARG 59 HH11 ARG 59 7.198 -12.795 0.420 296 HH12 ARG 59 HH12 ARG 59 6.932 -12.911 2.128 297 HH21 ARG 59 HH21 ARG 59 3.450 -13.044 1.905 298 HH22 ARG 59 HH22 ARG 59 4.820 -13.037 2.964 299 H ALA 60 HN ALA 60 4.016 -9.425 -4.950 300 HA ALA 60 HA ALA 60 6.769 -9.562 -5.552 301 HB1 ALA 60 HB1 ALA 60 6.246 -8.028 -7.422 302 HB2 ALA 60 HB2 ALA 60 4.658 -7.718 -6.709 303 HB3 ALA 60 HB3 ALA 60 5.064 -9.333 -7.289 304 H ASP 61 HN ASP 61 4.768 -6.934 -4.258 305 HA ASP 61 HA ASP 61 6.782 -4.956 -3.999 306 HB2 ASP 61 HB2 ASP 61 4.337 -4.477 -3.952 307 HB3 ASP 61 HB1 ASP 61 4.203 -5.325 -2.417 308 H GLU 62 HN GLU 62 5.683 -7.568 -1.849 309 HA GLU 62 HA GLU 62 7.283 -6.833 0.413 310 HB2 GLU 62 HB2 GLU 62 5.963 -9.486 -0.289 311 HB3 GLU 62 HB1 GLU 62 6.696 -9.116 1.275 312 HG2 GLU 62 HG2 GLU 62 5.072 -7.289 1.600 313 HG3 GLU 62 HG1 GLU 62 4.335 -7.654 0.045 314 H GLU 63 HN GLU 63 7.941 -8.547 -2.536 315 HA GLU 63 HA GLU 63 10.526 -9.556 -1.584 316 HB2 GLU 63 HB2 GLU 63 9.270 -9.731 -4.360 317 HB3 GLU 63 HB1 GLU 63 10.786 -10.493 -3.872 318 HG2 GLU 63 HG2 GLU 63 7.976 -11.166 -2.971 319 HG3 GLU 63 HG1 GLU 63 9.109 -12.192 -3.838 320 H GLY 64 HN GLY 64 9.342 -6.634 -2.672 321 HA2 GLY 64 HA2 GLY 64 10.557 -4.656 -2.802 322 HA3 GLY 64 HA1 GLY 64 12.043 -5.572 -2.993 323 H ALA 65 HN ALA 65 9.700 -6.720 -5.105 324 HA ALA 65 HA ALA 65 10.936 -5.698 -7.471 325 HB1 ALA 65 HB1 ALA 65 8.302 -7.186 -7.147 326 HB2 ALA 65 HB2 ALA 65 9.883 -7.929 -7.397 327 HB3 ALA 65 HB3 ALA 65 9.169 -6.932 -8.666 328 H ALA 66 HN ALA 66 10.354 -4.037 -8.752 329 HA ALA 66 HA ALA 66 8.527 -1.995 -7.929 330 HB1 ALA 66 HB1 ALA 66 10.562 -1.485 -9.221 331 HB2 ALA 66 HB2 ALA 66 9.127 -0.907 -10.066 332 HB3 ALA 66 HB3 ALA 66 9.934 -2.387 -10.600 333 H SER 67 HN SER 67 8.468 -4.600 -10.307 334 HA SER 67 HA SER 67 5.578 -4.244 -10.759 335 HB2 SER 67 HB2 SER 67 7.645 -4.601 -12.984 336 HB3 SER 67 HB1 SER 67 5.893 -4.494 -13.193 337 HG SER 67 HG SER 67 7.722 -2.489 -12.426 338 H PHE 68 HN PHE 68 4.716 -6.143 -12.046 339 HA PHE 68 HA PHE 68 6.155 -8.688 -11.734 340 HB2 PHE 68 HB2 PHE 68 4.255 -9.802 -10.679 341 HB3 PHE 68 HB1 PHE 68 4.718 -8.431 -9.685 342 HD1 PHE 68 HD1 PHE 68 2.107 -9.771 -11.957 343 HD2 PHE 68 HD2 PHE 68 3.192 -6.532 -9.384 344 HE1 PHE 68 HE1 PHE 68 -0.214 -8.967 -11.984 345 HE2 PHE 68 HE2 PHE 68 0.862 -5.743 -9.419 346 HZ PHE 68 HZ PHE 68 -0.835 -6.956 -10.713 347 H TYR 69 HN TYR 69 5.005 -10.429 -12.951 348 HA TYR 69 HA TYR 69 3.229 -9.541 -15.112 349 HB2 TYR 69 HB2 TYR 69 5.388 -9.295 -16.160 350 HB3 TYR 69 HB1 TYR 69 5.976 -10.809 -15.490 351 HD1 TYR 69 HD1 TYR 69 3.350 -9.482 -17.839 352 HD2 TYR 69 HD2 TYR 69 5.945 -12.739 -16.863 353 HE1 TYR 69 HE1 TYR 69 2.697 -10.634 -19.906 354 HE2 TYR 69 HE2 TYR 69 5.288 -13.888 -18.935 355 HH TYR 69 HH TYR 69 3.388 -13.906 -20.499 356 H VAL 70 HN VAL 70 1.531 -10.857 -14.780 357 HA VAL 70 HA VAL 70 1.588 -13.463 -13.680 358 HB VAL 70 HB VAL 70 -0.534 -12.213 -15.498 359 HG11 VAL 70 HG11 VAL 70 -2.101 -13.884 -14.537 360 HG12 VAL 70 HG12 VAL 70 -0.767 -14.631 -13.657 361 HG13 VAL 70 HG13 VAL 70 -0.786 -14.663 -15.421 362 HG21 VAL 70 HG21 VAL 70 -0.140 -10.866 -13.462 363 HG22 VAL 70 HG22 VAL 70 -0.398 -12.292 -12.453 364 HG23 VAL 70 HG23 VAL 70 -1.729 -11.636 -13.409 365 H VAL 71 HN VAL 71 2.516 -15.202 -14.593 366 HA VAL 71 HA VAL 71 3.256 -15.258 -17.398 367 HB VAL 71 HB VAL 71 3.732 -17.350 -15.214 368 HG11 VAL 71 HG11 VAL 71 5.071 -17.062 -17.936 369 HG12 VAL 71 HG12 VAL 71 3.941 -18.330 -17.453 370 HG13 VAL 71 HG13 VAL 71 5.523 -18.223 -16.684 371 HG21 VAL 71 HG21 VAL 71 5.602 -15.148 -16.154 372 HG22 VAL 71 HG22 VAL 71 6.003 -16.420 -14.996 373 HG23 VAL 71 HG23 VAL 71 4.774 -15.220 -14.597 374 H ASP 72 HN ASP 72 1.241 -17.083 -15.103 375 HA ASP 72 HA ASP 72 -0.441 -18.213 -17.131 376 HB2 ASP 72 HB2 ASP 72 1.637 -19.524 -17.452 377 HB3 ASP 72 HB1 ASP 72 1.636 -19.978 -15.768 378 H THR 73 HN THR 73 -2.278 -19.066 -16.272 379 HA THR 73 HA THR 73 -2.509 -19.429 -13.333 380 HB THR 73 HB THR 73 -4.919 -18.753 -13.567 381 HG1 THR 73 HG1 THR 73 -4.702 -19.140 -16.069 382 HG21 THR 73 HG21 THR 73 -3.245 -17.041 -12.919 383 HG22 THR 73 HG22 THR 73 -4.570 -16.336 -13.843 384 HG23 THR 73 HG23 THR 73 -3.013 -16.632 -14.617 385 H SER 74 HN SER 74 -2.475 -21.584 -13.062 386 HA SER 74 HA SER 74 -3.954 -23.355 -14.924 387 HB2 SER 74 HB2 SER 74 -1.976 -24.991 -14.569 388 HB3 SER 74 HB1 SER 74 -1.688 -23.606 -15.620 389 HG SER 74 HG SER 74 -0.419 -22.708 -14.146 390 H GLU 75 HN GLU 75 -4.872 -25.159 -14.063 391 HA GLU 75 HA GLU 75 -5.755 -25.115 -11.385 392 HB2 GLU 75 HB2 GLU 75 -5.872 -27.312 -13.488 393 HB3 GLU 75 HB1 GLU 75 -6.781 -27.338 -11.977 394 HG2 GLU 75 HG2 GLU 75 -8.153 -25.509 -12.627 395 HG3 GLU 75 HG1 GLU 75 -7.064 -25.041 -13.932 396 H PHE 76 HN PHE 76 -4.782 -25.778 -9.621 397 HA PHE 76 HA PHE 76 -2.133 -26.826 -9.581 398 HB2 PHE 76 HB2 PHE 76 -2.999 -25.097 -7.977 399 HB3 PHE 76 HB1 PHE 76 -4.087 -26.289 -7.307 400 HD1 PHE 76 HD2 PHE 76 -0.435 -25.667 -7.859 401 HD2 PHE 76 HD1 PHE 76 -3.400 -27.579 -5.436 402 HE1 PHE 76 HE2 PHE 76 1.303 -26.359 -6.260 403 HE2 PHE 76 HE1 PHE 76 -1.648 -28.269 -3.848 404 HZ PHE 76 HZ PHE 76 0.701 -27.659 -4.261 405 H GLY 77 HN GLY 77 -2.581 -28.884 -10.689 406 HA2 GLY 77 HA2 GLY 77 -2.594 -31.192 -10.587 407 HA3 GLY 77 HA1 GLY 77 -3.037 -31.115 -8.892 408 H ASN 78 HN ASN 78 -5.388 -29.886 -8.807 409 HA ASN 78 HA ASN 78 -7.246 -31.478 -10.471 410 HB2 ASN 78 HB2 ASN 78 -7.533 -30.661 -7.540 411 HB3 ASN 78 HB1 ASN 78 -8.749 -31.520 -8.476 412 HD21 ASN 78 HD21 ASN 78 -8.409 -33.726 -9.009 413 HD22 ASN 78 HD22 ASN 78 -7.217 -34.667 -8.183 414 H SER 79 HN SER 79 -9.497 -30.480 -10.452 415 HA SER 79 HA SER 79 -9.311 -27.783 -11.460 416 HB2 SER 79 HB2 SER 79 -10.722 -29.592 -12.526 417 HB3 SER 79 HB1 SER 79 -11.791 -29.529 -11.129 418 HG SER 79 HG SER 79 -11.271 -27.456 -13.003 419 H GLY 80 HN GLY 80 -10.802 -26.051 -10.770 420 HA2 GLY 80 HA2 GLY 80 -12.053 -24.818 -9.240 421 HA3 GLY 80 HA1 GLY 80 -11.940 -26.130 -8.077 422 H ASN 81 HN ASN 81 -9.367 -26.539 -7.609 423 HA ASN 81 HA ASN 81 -8.359 -24.036 -6.490 424 HB2 ASN 81 HB2 ASN 81 -6.721 -25.451 -5.288 425 HB3 ASN 81 HB1 ASN 81 -8.352 -25.995 -4.999 426 HD21 ASN 81 HD21 ASN 81 -5.263 -26.844 -6.161 427 HD22 ASN 81 HD22 ASN 81 -5.609 -28.483 -6.576 428 H TRP 82 HN TRP 82 -7.752 -22.942 -8.340 429 HA TRP 82 HA TRP 82 -5.495 -24.029 -9.891 430 HB2 TRP 82 HB2 TRP 82 -5.786 -21.816 -11.224 431 HB3 TRP 82 HB1 TRP 82 -7.005 -23.063 -11.428 432 HD1 TRP 82 HD1 TRP 82 -9.477 -22.527 -10.593 433 HE1 TRP 82 HE1 TRP 82 -10.664 -20.345 -9.960 434 HE3 TRP 82 HE3 TRP 82 -5.389 -19.484 -10.025 435 HZ2 TRP 82 HZ2 TRP 82 -9.993 -17.694 -9.293 436 HZ3 TRP 82 HZ3 TRP 82 -5.759 -17.135 -9.381 437 HH2 TRP 82 HH2 TRP 82 -8.013 -16.257 -9.022 438 H ARG 83 HN ARG 83 -3.821 -22.256 -10.398 439 HA ARG 83 HA ARG 83 -3.007 -20.703 -8.049 440 HB2 ARG 83 HB2 ARG 83 -0.810 -21.787 -7.924 441 HB3 ARG 83 HB1 ARG 83 -2.068 -22.990 -7.721 442 HG2 ARG 83 HG2 ARG 83 -0.691 -24.160 -9.126 443 HG3 ARG 83 HG1 ARG 83 -1.691 -23.360 -10.334 444 HD2 ARG 83 HD2 ARG 83 0.113 -21.543 -10.420 445 HD3 ARG 83 HD1 ARG 83 1.120 -22.634 -9.456 446 HE ARG 83 HE ARG 83 -0.002 -23.788 -11.874 447 HH11 ARG 83 HH11 ARG 83 2.816 -22.217 -10.467 448 HH12 ARG 83 HH12 ARG 83 3.847 -22.633 -11.801 449 HH21 ARG 83 HH21 ARG 83 1.353 -24.296 -13.591 450 HH22 ARG 83 HH22 ARG 83 3.020 -23.803 -13.557 451 H VAL 84 HN VAL 84 -1.328 -19.172 -8.573 452 HA VAL 84 HA VAL 84 -1.189 -18.460 -11.450 453 HB VAL 84 HB VAL 84 -1.286 -16.516 -9.089 454 HG11 VAL 84 HG11 VAL 84 0.030 -15.616 -10.965 455 HG12 VAL 84 HG12 VAL 84 -1.499 -14.749 -10.817 456 HG13 VAL 84 HG13 VAL 84 -1.292 -15.961 -12.083 457 HG21 VAL 84 HG21 VAL 84 -3.475 -17.551 -9.377 458 HG22 VAL 84 HG22 VAL 84 -3.448 -17.213 -11.106 459 HG23 VAL 84 HG23 VAL 84 -3.534 -15.884 -9.953 460 H VAL 85 HN VAL 85 0.819 -18.977 -12.056 461 HA VAL 85 HA VAL 85 3.143 -18.279 -10.419 462 HB VAL 85 HB VAL 85 3.231 -20.413 -11.633 463 HG11 VAL 85 HG11 VAL 85 3.031 -18.840 -14.212 464 HG12 VAL 85 HG12 VAL 85 1.804 -19.922 -13.549 465 HG13 VAL 85 HG13 VAL 85 3.358 -20.571 -14.074 466 HG21 VAL 85 HG21 VAL 85 5.346 -19.253 -11.226 467 HG22 VAL 85 HG22 VAL 85 5.207 -18.412 -12.770 468 HG23 VAL 85 HG23 VAL 85 5.425 -20.165 -12.734 469 H ALA 86 HN ALA 86 4.274 -16.419 -10.712 470 HA ALA 86 HA ALA 86 3.836 -14.710 -13.054 471 HB1 ALA 86 HB1 ALA 86 3.200 -12.771 -11.688 472 HB2 ALA 86 HB2 ALA 86 3.228 -13.765 -10.227 473 HB3 ALA 86 HB3 ALA 86 2.036 -14.082 -11.490 474 H ASP 87 HN ASP 87 5.694 -13.712 -13.631 475 HA ASP 87 HA ASP 87 8.118 -13.870 -12.128 476 HB2 ASP 87 HB2 ASP 87 7.404 -12.148 -14.538 477 HB3 ASP 87 HB1 ASP 87 9.032 -12.323 -13.888 478 H VAL 88 HN VAL 88 9.358 -12.068 -11.316 479 HA VAL 88 HA VAL 88 7.889 -9.566 -10.750 480 HB VAL 88 HB VAL 88 8.926 -9.486 -8.458 481 HG11 VAL 88 HG11 VAL 88 6.585 -10.179 -8.736 482 HG12 VAL 88 HG12 VAL 88 7.331 -11.034 -7.386 483 HG13 VAL 88 HG13 VAL 88 7.087 -11.861 -8.928 484 HG21 VAL 88 HG21 VAL 88 10.784 -11.084 -8.786 485 HG22 VAL 88 HG22 VAL 88 9.629 -12.408 -8.932 486 HG23 VAL 88 HG23 VAL 88 9.789 -11.541 -7.401 487 H TYR 89 HN TYR 89 9.138 -7.711 -10.778 488 HA TYR 89 HA TYR 89 11.855 -7.968 -11.941 489 HB2 TYR 89 HB2 TYR 89 9.637 -6.102 -12.932 490 HB3 TYR 89 HB1 TYR 89 11.274 -6.197 -13.574 491 HD1 TYR 89 HD1 TYR 89 8.041 -7.990 -13.308 492 HD2 TYR 89 HD2 TYR 89 11.874 -7.914 -15.188 493 HE1 TYR 89 HE1 TYR 89 7.294 -9.674 -14.920 494 HE2 TYR 89 HE2 TYR 89 11.111 -9.595 -16.808 495 HH TYR 89 HH TYR 89 9.392 -11.375 -16.957 496 H LYS 90 HN LYS 90 13.317 -6.488 -11.217 497 HA LYS 90 HA LYS 90 12.653 -4.719 -9.017 498 HB2 LYS 90 HB2 LYS 90 15.262 -5.342 -10.463 499 HB3 LYS 90 HB1 LYS 90 15.166 -4.191 -9.137 500 HG2 LYS 90 HG2 LYS 90 14.544 -7.154 -8.974 501 HG3 LYS 90 HG1 LYS 90 16.014 -6.367 -8.396 502 HD2 LYS 90 HD2 LYS 90 13.190 -5.941 -7.327 503 HD3 LYS 90 HD1 LYS 90 14.488 -6.840 -6.535 504 HE2 LYS 90 HE2 LYS 90 14.454 -3.853 -7.104 505 HE3 LYS 90 HE1 LYS 90 14.249 -4.621 -5.530 506 HZ1 LYS 90 HZ1 LYS 90 16.480 -3.800 -5.772 507 HZ2 LYS 90 HZ2 LYS 90 16.703 -4.664 -7.205 508 HZ3 LYS 90 HZ3 LYS 90 16.523 -5.492 -5.742 509 H ALA 91 HN ALA 91 13.447 -2.479 -8.973 510 HA ALA 91 HA ALA 91 13.178 -0.997 -11.506 511 HB1 ALA 91 HB1 ALA 91 13.284 0.017 -8.632 512 HB2 ALA 91 HB2 ALA 91 11.825 -0.200 -9.596 513 HB3 ALA 91 HB3 ALA 91 13.015 1.009 -10.068 Start of MODEL 2 1 H HIS 21 HT1 HIS 21 0.813 -2.535 -0.149 2 HA HIS 21 HA HIS 21 0.500 -0.192 -0.476 3 HB2 HIS 21 HB2 HIS 21 2.970 -0.277 -2.270 4 HB3 HIS 21 HB1 HIS 21 2.018 1.137 -1.832 5 HD1 HIS 21 HD1 HIS 21 4.834 -0.973 -0.731 6 HD2 HIS 21 HD2 HIS 21 2.500 2.074 0.872 7 HE1 HIS 21 HE1 HIS 21 6.060 -0.193 1.315 8 HE2 HIS 21 HE2 HIS 21 4.537 1.521 2.353 9 H ALA 22 HN ALA 22 2.172 -1.377 -3.376 10 HA ALA 22 HA ALA 22 0.238 -2.839 -4.693 11 HB1 ALA 22 HB1 ALA 22 -1.248 -0.856 -4.626 12 HB2 ALA 22 HB2 ALA 22 -0.777 -1.215 -6.287 13 HB3 ALA 22 HB3 ALA 22 -0.009 0.118 -5.417 14 H ALA 23 HN ALA 23 1.865 -3.894 -5.779 15 HA ALA 23 HA ALA 23 4.109 -2.563 -7.002 16 HB1 ALA 23 HB1 ALA 23 4.706 -4.795 -7.857 17 HB2 ALA 23 HB2 ALA 23 3.147 -5.432 -7.319 18 HB3 ALA 23 HB3 ALA 23 4.321 -4.852 -6.136 19 H THR 24 HN THR 24 4.507 -2.257 -9.230 20 HA THR 24 HA THR 24 2.261 -1.474 -10.811 21 HB THR 24 HB THR 24 5.180 -1.778 -11.667 22 HG1 THR 24 HG1 THR 24 3.799 0.255 -10.272 23 HG21 THR 24 HG21 THR 24 2.973 -0.037 -12.864 24 HG22 THR 24 HG22 THR 24 3.678 -1.471 -13.615 25 HG23 THR 24 HG23 THR 24 4.667 -0.034 -13.359 26 H GLU 25 HN GLU 25 1.272 -2.496 -12.541 27 HA GLU 25 HA GLU 25 1.873 -5.273 -13.112 28 HB2 GLU 25 HB2 GLU 25 -0.466 -4.489 -13.136 29 HB3 GLU 25 HB1 GLU 25 -0.099 -3.359 -14.434 30 HG2 GLU 25 HG2 GLU 25 0.374 -5.227 -15.960 31 HG3 GLU 25 HG1 GLU 25 0.096 -6.381 -14.655 32 H LEU 26 HN LEU 26 3.284 -5.950 -14.615 33 HA LEU 26 HA LEU 26 4.356 -4.076 -16.615 34 HB2 LEU 26 HB2 LEU 26 5.814 -5.608 -15.015 35 HB3 LEU 26 HB1 LEU 26 5.420 -6.882 -16.151 36 HG LEU 26 HG LEU 26 6.448 -5.494 -17.985 37 HD11 LEU 26 HD11 LEU 26 7.350 -3.676 -15.729 38 HD12 LEU 26 HD12 LEU 26 6.191 -3.264 -16.997 39 HD13 LEU 26 HD13 LEU 26 7.872 -3.582 -17.413 40 HD21 LEU 26 HD21 LEU 26 8.782 -5.917 -17.359 41 HD22 LEU 26 HD22 LEU 26 7.749 -7.266 -16.897 42 HD23 LEU 26 HD23 LEU 26 8.302 -6.124 -15.671 43 H THR 27 HN THR 27 3.690 -4.234 -18.680 44 HA THR 27 HA THR 27 1.748 -6.169 -19.502 45 HB THR 27 HB THR 27 1.911 -4.963 -21.736 46 HG1 THR 27 HG1 THR 27 3.492 -2.996 -20.511 47 HG21 THR 27 HG21 THR 27 1.530 -3.152 -19.316 48 HG22 THR 27 HG22 THR 27 0.292 -4.198 -20.017 49 HG23 THR 27 HG23 THR 27 0.932 -2.847 -20.950 50 HA PRO 28 HA PRO 28 4.121 -9.630 -20.992 51 HB2 PRO 28 HB2 PRO 28 2.509 -9.197 -23.518 52 HB3 PRO 28 HB1 PRO 28 2.858 -10.710 -22.664 53 HG2 PRO 28 HG2 PRO 28 0.496 -9.506 -22.365 54 HG3 PRO 28 HG1 PRO 28 1.303 -10.247 -20.964 55 HD2 PRO 28 HD2 PRO 28 0.994 -7.350 -21.659 56 HD3 PRO 28 HD1 PRO 28 1.125 -8.122 -20.066 57 H GLU 29 HN GLU 29 3.865 -6.891 -23.243 58 HA GLU 29 HA GLU 29 5.983 -7.667 -24.991 59 HB2 GLU 29 HB2 GLU 29 4.137 -6.131 -25.640 60 HB3 GLU 29 HB1 GLU 29 4.744 -4.920 -24.514 61 HG2 GLU 29 HG2 GLU 29 6.769 -4.635 -25.837 62 HG3 GLU 29 HG1 GLU 29 6.309 -5.964 -26.899 63 H GLN 30 HN GLN 30 5.787 -5.424 -22.230 64 HA GLN 30 HA GLN 30 8.515 -4.586 -22.276 65 HB2 GLN 30 HB2 GLN 30 6.543 -4.539 -19.947 66 HB3 GLN 30 HB1 GLN 30 8.077 -3.673 -20.011 67 HG2 GLN 30 HG2 GLN 30 5.621 -3.174 -21.715 68 HG3 GLN 30 HG1 GLN 30 6.257 -2.144 -20.436 69 HE21 GLN 30 HE21 GLN 30 8.233 -0.999 -20.821 70 HE22 GLN 30 HE22 GLN 30 8.760 -0.668 -22.433 71 H ALA 31 HN ALA 31 6.756 -7.160 -20.650 72 HA ALA 31 HA ALA 31 8.823 -8.039 -18.893 73 HB1 ALA 31 HB1 ALA 31 6.440 -8.392 -18.419 74 HB2 ALA 31 HB2 ALA 31 7.315 -9.925 -18.438 75 HB3 ALA 31 HB3 ALA 31 6.313 -9.462 -19.817 76 H ALA 32 HN ALA 32 7.921 -8.825 -22.186 77 HA ALA 32 HA ALA 32 9.503 -11.176 -22.524 78 HB1 ALA 32 HB1 ALA 32 9.202 -10.779 -24.946 79 HB2 ALA 32 HB2 ALA 32 8.577 -9.162 -24.604 80 HB3 ALA 32 HB3 ALA 32 7.679 -10.583 -24.075 81 H ALA 33 HN ALA 33 10.094 -7.726 -22.815 82 HA ALA 33 HA ALA 33 12.741 -7.942 -23.958 83 HB1 ALA 33 HB1 ALA 33 11.306 -5.551 -22.754 84 HB2 ALA 33 HB2 ALA 33 11.299 -6.015 -24.456 85 HB3 ALA 33 HB3 ALA 33 12.802 -5.496 -23.693 86 H LEU 34 HN LEU 34 11.382 -7.439 -20.718 87 HA LEU 34 HA LEU 34 13.992 -6.846 -19.534 88 HB2 LEU 34 HB2 LEU 34 11.216 -6.953 -18.296 89 HB3 LEU 34 HB1 LEU 34 12.673 -6.478 -17.431 90 HG LEU 34 HG LEU 34 11.390 -4.976 -19.756 91 HD11 LEU 34 HD11 LEU 34 10.931 -3.212 -18.107 92 HD12 LEU 34 HD12 LEU 34 11.594 -4.225 -16.822 93 HD13 LEU 34 HD13 LEU 34 10.132 -4.723 -17.676 94 HD21 LEU 34 HD21 LEU 34 13.096 -3.230 -19.356 95 HD22 LEU 34 HD22 LEU 34 13.813 -4.744 -19.895 96 HD23 LEU 34 HD23 LEU 34 13.903 -4.286 -18.192 97 H LYS 35 HN LYS 35 14.784 -7.982 -17.693 98 HA LYS 35 HA LYS 35 14.052 -10.842 -17.518 99 HB2 LYS 35 HB2 LYS 35 16.430 -10.276 -18.235 100 HB3 LYS 35 HB1 LYS 35 16.666 -9.494 -16.675 101 HG2 LYS 35 HG2 LYS 35 16.113 -11.750 -15.597 102 HG3 LYS 35 HG1 LYS 35 16.185 -12.448 -17.216 103 HD2 LYS 35 HD2 LYS 35 18.338 -12.838 -16.239 104 HD3 LYS 35 HD1 LYS 35 18.565 -11.521 -17.392 105 HE2 LYS 35 HE2 LYS 35 19.763 -11.041 -15.319 106 HE3 LYS 35 HE1 LYS 35 18.439 -9.889 -15.514 107 HZ1 LYS 35 HZ1 LYS 35 18.350 -12.326 -13.811 108 HZ2 LYS 35 HZ2 LYS 35 17.119 -11.175 -13.960 109 HZ3 LYS 35 HZ3 LYS 35 18.595 -10.751 -13.256 110 HA PRO 36 HA PRO 36 12.715 -9.622 -13.303 111 HB2 PRO 36 HB2 PRO 36 11.999 -12.087 -12.384 112 HB3 PRO 36 HB1 PRO 36 11.009 -11.199 -13.555 113 HG2 PRO 36 HG2 PRO 36 13.034 -13.386 -14.063 114 HG3 PRO 36 HG1 PRO 36 11.377 -13.232 -14.694 115 HD2 PRO 36 HD2 PRO 36 13.543 -12.495 -16.160 116 HD3 PRO 36 HD1 PRO 36 11.993 -11.630 -16.282 117 H TYR 37 HN TYR 37 13.526 -9.911 -11.152 118 HA TYR 37 HA TYR 37 16.219 -11.094 -10.957 119 HB2 TYR 37 HB2 TYR 37 16.581 -9.756 -9.011 120 HB3 TYR 37 HB1 TYR 37 15.804 -8.703 -10.180 121 HD1 TYR 37 HD1 TYR 37 13.284 -8.210 -9.875 122 HD2 TYR 37 HD2 TYR 37 15.632 -10.070 -6.821 123 HE1 TYR 37 HE1 TYR 37 11.589 -7.619 -8.197 124 HE2 TYR 37 HE2 TYR 37 13.926 -9.480 -5.157 125 HH TYR 37 HH TYR 37 12.153 -7.798 -4.875 126 H ASP 38 HN ASP 38 12.998 -11.837 -10.253 127 HA ASP 38 HA ASP 38 13.629 -14.218 -8.747 128 HB2 ASP 38 HB2 ASP 38 13.631 -12.545 -6.933 129 HB3 ASP 38 HB1 ASP 38 12.076 -11.920 -7.453 130 H ARG 39 HN ARG 39 11.841 -15.663 -8.663 131 HA ARG 39 HA ARG 39 9.329 -14.905 -10.042 132 HB2 ARG 39 HB2 ARG 39 10.744 -17.611 -10.087 133 HB3 ARG 39 HB1 ARG 39 9.153 -17.296 -10.779 134 HG2 ARG 39 HG2 ARG 39 10.105 -15.837 -12.463 135 HG3 ARG 39 HG1 ARG 39 11.702 -15.920 -11.706 136 HD2 ARG 39 HD2 ARG 39 10.209 -18.247 -12.984 137 HD3 ARG 39 HD1 ARG 39 11.583 -17.377 -13.683 138 HE ARG 39 HE ARG 39 12.474 -18.252 -11.229 139 HH11 ARG 39 HH11 ARG 39 11.230 -19.899 -14.099 140 HH12 ARG 39 HH12 ARG 39 12.168 -21.326 -13.794 141 HH21 ARG 39 HH21 ARG 39 13.630 -20.144 -10.857 142 HH22 ARG 39 HH22 ARG 39 13.499 -21.469 -11.971 143 H ILE 40 HN ILE 40 7.614 -15.080 -8.746 144 HA ILE 40 HA ILE 40 7.714 -16.661 -6.256 145 HB ILE 40 HB ILE 40 5.820 -15.307 -5.465 146 HG12 ILE 40 HG12 ILE 40 5.945 -13.831 -8.148 147 HG13 ILE 40 HG11 ILE 40 4.661 -14.930 -7.660 148 HG21 ILE 40 HG21 ILE 40 6.939 -13.102 -5.281 149 HG22 ILE 40 HG22 ILE 40 8.032 -13.544 -6.593 150 HG23 ILE 40 HG23 ILE 40 8.087 -14.427 -5.067 151 HD11 ILE 40 HD11 ILE 40 5.322 -12.276 -6.388 152 HD12 ILE 40 HD12 ILE 40 4.055 -13.379 -5.844 153 HD13 ILE 40 HD13 ILE 40 3.957 -12.641 -7.440 154 H VAL 41 HN VAL 41 5.752 -17.808 -5.629 155 HA VAL 41 HA VAL 41 3.906 -18.608 -7.767 156 HB VAL 41 HB VAL 41 5.556 -20.404 -7.822 157 HG11 VAL 41 HG11 VAL 41 5.171 -20.737 -4.822 158 HG12 VAL 41 HG12 VAL 41 6.616 -20.121 -5.626 159 HG13 VAL 41 HG13 VAL 41 6.131 -21.801 -5.856 160 HG21 VAL 41 HG21 VAL 41 3.094 -21.373 -6.311 161 HG22 VAL 41 HG22 VAL 41 4.146 -22.367 -7.324 162 HG23 VAL 41 HG23 VAL 41 3.185 -21.078 -8.048 163 H ILE 42 HN ILE 42 1.868 -18.572 -7.097 164 HA ILE 42 HA ILE 42 1.165 -18.944 -4.240 165 HB ILE 42 HB ILE 42 -0.699 -17.328 -4.491 166 HG12 ILE 42 HG12 ILE 42 0.493 -16.554 -7.196 167 HG13 ILE 42 HG11 ILE 42 -0.924 -17.582 -7.017 168 HG21 ILE 42 HG21 ILE 42 1.985 -16.060 -5.159 169 HG22 ILE 42 HG22 ILE 42 1.420 -16.501 -3.548 170 HG23 ILE 42 HG23 ILE 42 0.600 -15.224 -4.448 171 HD11 ILE 42 HD11 ILE 42 -2.111 -15.741 -5.931 172 HD12 ILE 42 HD12 ILE 42 -1.556 -15.330 -7.553 173 HD13 ILE 42 HD13 ILE 42 -0.692 -14.711 -6.147 174 H THR 43 HN THR 43 -1.152 -19.631 -4.025 175 HA THR 43 HA THR 43 -2.457 -20.867 -6.326 176 HB THR 43 HB THR 43 -1.783 -22.556 -3.860 177 HG1 THR 43 HG1 THR 43 -0.335 -22.116 -6.119 178 HG21 THR 43 HG21 THR 43 -3.918 -23.212 -4.948 179 HG22 THR 43 HG22 THR 43 -2.686 -24.452 -5.167 180 HG23 THR 43 HG23 THR 43 -3.071 -23.365 -6.498 181 H GLY 44 HN GLY 44 -4.643 -20.596 -6.112 182 HA2 GLY 44 HA2 GLY 44 -5.806 -20.000 -3.444 183 HA3 GLY 44 HA1 GLY 44 -6.117 -18.956 -4.826 184 H ARG 45 HN ARG 45 -7.687 -21.042 -3.044 185 HA ARG 45 HA ARG 45 -8.942 -22.599 -5.206 186 HB2 ARG 45 HB2 ARG 45 -8.190 -23.824 -3.175 187 HB3 ARG 45 HB1 ARG 45 -9.278 -22.849 -2.192 188 HG2 ARG 45 HG2 ARG 45 -11.212 -23.773 -3.458 189 HG3 ARG 45 HG1 ARG 45 -10.099 -24.785 -4.383 190 HD2 ARG 45 HD2 ARG 45 -10.509 -24.910 -1.372 191 HD3 ARG 45 HD1 ARG 45 -11.219 -26.022 -2.550 192 HE ARG 45 HE ARG 45 -8.325 -25.770 -1.941 193 HH11 ARG 45 HH11 ARG 45 -10.954 -27.676 -3.266 194 HH12 ARG 45 HH12 ARG 45 -10.052 -29.155 -3.233 195 HH21 ARG 45 HH21 ARG 45 -7.155 -27.711 -1.918 196 HH22 ARG 45 HH22 ARG 45 -7.899 -29.175 -2.480 197 H PHE 46 HN PHE 46 -10.811 -21.946 -6.047 198 HA PHE 46 HA PHE 46 -12.731 -20.868 -6.522 199 HB2 PHE 46 HB2 PHE 46 -13.072 -20.853 -3.496 200 HB3 PHE 46 HB1 PHE 46 -14.333 -20.346 -4.616 201 HD1 PHE 46 HD1 PHE 46 -14.755 -22.172 -6.592 202 HD2 PHE 46 HD2 PHE 46 -13.270 -23.042 -2.678 203 HE1 PHE 46 HE1 PHE 46 -15.555 -24.490 -6.791 204 HE2 PHE 46 HE2 PHE 46 -14.066 -25.357 -2.893 205 HZ PHE 46 HZ PHE 46 -15.207 -26.083 -4.951 206 H ASN 47 HN ASN 47 -10.182 -19.291 -5.640 207 HA ASN 47 HA ASN 47 -11.198 -16.656 -5.010 208 HB2 ASN 47 HB2 ASN 47 -8.420 -17.731 -5.660 209 HB3 ASN 47 HB1 ASN 47 -8.718 -16.007 -5.450 210 HD21 ASN 47 HD21 ASN 47 -8.682 -19.121 -3.837 211 HD22 ASN 47 HD22 ASN 47 -8.619 -18.505 -2.229 212 H ALA 48 HN ALA 48 -11.200 -14.866 -6.380 213 HA ALA 48 HA ALA 48 -11.558 -15.374 -9.214 214 HB1 ALA 48 HB1 ALA 48 -13.077 -13.827 -8.045 215 HB2 ALA 48 HB2 ALA 48 -12.198 -12.995 -9.331 216 HB3 ALA 48 HB3 ALA 48 -11.714 -12.778 -7.646 217 H ILE 49 HN ILE 49 -10.488 -13.863 -10.804 218 HA ILE 49 HA ILE 49 -7.694 -13.998 -10.789 219 HB ILE 49 HB ILE 49 -8.990 -13.737 -12.869 220 HG12 ILE 49 HG12 ILE 49 -7.543 -12.046 -14.048 221 HG13 ILE 49 HG11 ILE 49 -6.958 -11.472 -12.489 222 HG21 ILE 49 HG21 ILE 49 -9.939 -11.567 -13.556 223 HG22 ILE 49 HG22 ILE 49 -9.538 -10.889 -11.976 224 HG23 ILE 49 HG23 ILE 49 -10.718 -12.197 -12.101 225 HD11 ILE 49 HD11 ILE 49 -6.539 -14.224 -13.660 226 HD12 ILE 49 HD12 ILE 49 -5.951 -13.687 -12.083 227 HD13 ILE 49 HD13 ILE 49 -5.347 -12.930 -13.557 228 H GLY 50 HN GLY 50 -9.869 -11.504 -9.611 229 HA2 GLY 50 HA2 GLY 50 -8.148 -9.368 -9.129 230 HA3 GLY 50 HA1 GLY 50 -9.585 -9.739 -8.196 231 H ASP 51 HN ASP 51 -8.899 -12.167 -7.045 232 HA ASP 51 HA ASP 51 -7.322 -11.380 -4.798 233 HB2 ASP 51 HB2 ASP 51 -8.251 -14.175 -5.607 234 HB3 ASP 51 HB1 ASP 51 -7.594 -13.739 -4.029 235 H ALA 52 HN ALA 52 -6.689 -13.355 -7.657 236 HA ALA 52 HA ALA 52 -4.157 -14.413 -6.929 237 HB1 ALA 52 HB1 ALA 52 -5.267 -13.923 -9.718 238 HB2 ALA 52 HB2 ALA 52 -5.493 -15.385 -8.754 239 HB3 ALA 52 HB3 ALA 52 -3.882 -14.941 -9.320 240 H VAL 53 HN VAL 53 -4.999 -11.665 -9.041 241 HA VAL 53 HA VAL 53 -2.426 -10.646 -9.492 242 HB VAL 53 HB VAL 53 -5.122 -9.211 -9.535 243 HG11 VAL 53 HG11 VAL 53 -2.472 -8.256 -10.688 244 HG12 VAL 53 HG12 VAL 53 -3.330 -7.542 -9.323 245 HG13 VAL 53 HG13 VAL 53 -4.037 -7.475 -10.936 246 HG21 VAL 53 HG21 VAL 53 -4.980 -11.088 -11.134 247 HG22 VAL 53 HG22 VAL 53 -3.501 -10.413 -11.820 248 HG23 VAL 53 HG23 VAL 53 -5.027 -9.544 -11.987 249 H SER 54 HN SER 54 -4.741 -10.088 -6.896 250 HA SER 54 HA SER 54 -3.478 -7.920 -5.580 251 HB2 SER 54 HB2 SER 54 -5.819 -8.475 -5.119 252 HB3 SER 54 HB1 SER 54 -5.360 -10.058 -4.498 253 HG SER 54 HG SER 54 -4.221 -7.786 -3.313 254 H ALA 55 HN ALA 55 -3.201 -11.440 -5.220 255 HA ALA 55 HA ALA 55 -1.504 -11.384 -2.906 256 HB1 ALA 55 HB1 ALA 55 -1.322 -13.816 -3.262 257 HB2 ALA 55 HB2 ALA 55 -2.115 -13.645 -4.830 258 HB3 ALA 55 HB3 ALA 55 -3.000 -13.273 -3.351 259 H VAL 56 HN VAL 56 -0.959 -11.770 -6.394 260 HA VAL 56 HA VAL 56 1.843 -12.152 -6.341 261 HB VAL 56 HB VAL 56 0.083 -10.965 -8.539 262 HG11 VAL 56 HG11 VAL 56 1.953 -11.392 -10.100 263 HG12 VAL 56 HG12 VAL 56 2.976 -11.885 -8.749 264 HG13 VAL 56 HG13 VAL 56 2.406 -10.220 -8.864 265 HG21 VAL 56 HG21 VAL 56 -0.456 -13.310 -8.022 266 HG22 VAL 56 HG22 VAL 56 1.233 -13.771 -8.234 267 HG23 VAL 56 HG23 VAL 56 0.297 -13.188 -9.614 268 H SER 57 HN SER 57 -0.149 -9.217 -6.597 269 HA SER 57 HA SER 57 1.973 -7.335 -6.848 270 HB2 SER 57 HB2 SER 57 -0.390 -6.886 -7.561 271 HB3 SER 57 HB1 SER 57 -0.866 -6.827 -5.867 272 HG SER 57 HG SER 57 0.363 -4.935 -7.413 273 H ARG 58 HN ARG 58 0.262 -8.751 -4.130 274 HA ARG 58 HA ARG 58 1.172 -7.047 -2.060 275 HB2 ARG 58 HB2 ARG 58 -0.761 -8.578 -1.770 276 HB3 ARG 58 HB1 ARG 58 0.295 -9.970 -1.935 277 HG2 ARG 58 HG2 ARG 58 -0.265 -9.634 0.407 278 HG3 ARG 58 HG1 ARG 58 1.458 -9.334 0.161 279 HD2 ARG 58 HD2 ARG 58 0.904 -6.858 0.028 280 HD3 ARG 58 HD1 ARG 58 -0.738 -7.272 0.540 281 HE ARG 58 HE ARG 58 1.257 -8.342 2.295 282 HH11 ARG 58 HH11 ARG 58 -0.540 -5.396 1.611 283 HH12 ARG 58 HH12 ARG 58 -0.278 -4.729 3.190 284 HH21 ARG 58 HH21 ARG 58 1.646 -7.436 4.320 285 HH22 ARG 58 HH22 ARG 58 0.964 -5.894 4.735 286 H ARG 59 HN ARG 59 2.263 -10.252 -3.138 287 HA ARG 59 HA ARG 59 4.468 -10.492 -1.411 288 HB2 ARG 59 HB2 ARG 59 3.434 -12.432 -2.494 289 HB3 ARG 59 HB1 ARG 59 3.937 -11.862 -4.078 290 HG2 ARG 59 HG2 ARG 59 5.339 -13.729 -3.219 291 HG3 ARG 59 HG1 ARG 59 6.278 -12.275 -3.555 292 HD2 ARG 59 HD2 ARG 59 6.974 -13.377 -1.456 293 HD3 ARG 59 HD1 ARG 59 6.374 -11.741 -1.169 294 HE ARG 59 HE ARG 59 4.806 -14.217 -0.641 295 HH11 ARG 59 HH11 ARG 59 5.695 -10.938 0.253 296 HH12 ARG 59 HH12 ARG 59 4.685 -10.914 1.661 297 HH21 ARG 59 HH21 ARG 59 3.507 -14.185 1.240 298 HH22 ARG 59 HH22 ARG 59 3.483 -12.766 2.241 299 H ALA 60 HN ALA 60 4.242 -9.351 -4.765 300 HA ALA 60 HA ALA 60 6.955 -8.952 -5.335 301 HB1 ALA 60 HB1 ALA 60 6.175 -7.475 -7.149 302 HB2 ALA 60 HB2 ALA 60 4.564 -7.427 -6.422 303 HB3 ALA 60 HB3 ALA 60 5.199 -8.944 -7.057 304 H ASP 61 HN ASP 61 4.522 -6.689 -4.070 305 HA ASP 61 HA ASP 61 6.156 -4.405 -3.871 306 HB2 ASP 61 HB2 ASP 61 3.693 -4.328 -3.873 307 HB3 ASP 61 HB1 ASP 61 3.651 -5.150 -2.320 308 H GLU 62 HN GLU 62 5.468 -7.034 -1.569 309 HA GLU 62 HA GLU 62 6.916 -5.859 0.635 310 HB2 GLU 62 HB2 GLU 62 5.796 -8.650 0.202 311 HB3 GLU 62 HB1 GLU 62 6.583 -8.140 1.696 312 HG2 GLU 62 HG2 GLU 62 4.849 -6.373 1.975 313 HG3 GLU 62 HG1 GLU 62 4.045 -6.953 0.515 314 H GLU 63 HN GLU 63 7.797 -7.878 -2.066 315 HA GLU 63 HA GLU 63 10.401 -8.634 -1.070 316 HB2 GLU 63 HB2 GLU 63 9.190 -8.639 -3.869 317 HB3 GLU 63 HB1 GLU 63 10.856 -9.135 -3.556 318 HG2 GLU 63 HG2 GLU 63 8.337 -10.450 -2.485 319 HG3 GLU 63 HG1 GLU 63 9.415 -11.087 -3.728 320 H GLY 64 HN GLY 64 8.990 -5.811 -2.433 321 HA2 GLY 64 HA2 GLY 64 9.960 -3.687 -2.605 322 HA3 GLY 64 HA1 GLY 64 11.567 -4.404 -2.542 323 H ALA 65 HN ALA 65 9.533 -6.072 -4.669 324 HA ALA 65 HA ALA 65 10.878 -5.352 -7.041 325 HB1 ALA 65 HB1 ALA 65 8.194 -6.739 -6.717 326 HB2 ALA 65 HB2 ALA 65 9.769 -7.531 -6.760 327 HB3 ALA 65 HB3 ALA 65 9.166 -6.694 -8.192 328 H ALA 66 HN ALA 66 10.534 -3.717 -8.405 329 HA ALA 66 HA ALA 66 8.751 -1.575 -7.920 330 HB1 ALA 66 HB1 ALA 66 9.581 -0.703 -10.079 331 HB2 ALA 66 HB2 ALA 66 10.325 -2.265 -10.435 332 HB3 ALA 66 HB3 ALA 66 10.905 -1.300 -9.078 333 H SER 67 HN SER 67 8.612 -4.415 -9.978 334 HA SER 67 HA SER 67 5.837 -3.881 -10.738 335 HB2 SER 67 HB2 SER 67 7.373 -2.954 -12.558 336 HB3 SER 67 HB1 SER 67 7.975 -4.590 -12.814 337 HG SER 67 HG SER 67 5.257 -3.799 -13.028 338 H PHE 68 HN PHE 68 5.003 -5.868 -11.992 339 HA PHE 68 HA PHE 68 6.303 -8.423 -11.408 340 HB2 PHE 68 HB2 PHE 68 4.367 -9.429 -10.329 341 HB3 PHE 68 HB1 PHE 68 4.775 -7.977 -9.431 342 HD1 PHE 68 HD1 PHE 68 2.272 -9.536 -11.688 343 HD2 PHE 68 HD2 PHE 68 3.215 -6.075 -9.359 344 HE1 PHE 68 HE1 PHE 68 -0.053 -8.762 -11.891 345 HE2 PHE 68 HE2 PHE 68 0.885 -5.317 -9.570 346 HZ PHE 68 HZ PHE 68 -0.748 -6.654 -10.834 347 H TYR 69 HN TYR 69 5.221 -10.188 -12.607 348 HA TYR 69 HA TYR 69 3.265 -9.490 -14.641 349 HB2 TYR 69 HB2 TYR 69 5.288 -8.964 -15.857 350 HB3 TYR 69 HB1 TYR 69 6.088 -10.437 -15.321 351 HD1 TYR 69 HD1 TYR 69 2.970 -9.423 -17.198 352 HD2 TYR 69 HD2 TYR 69 6.214 -12.194 -16.907 353 HE1 TYR 69 HE1 TYR 69 2.208 -10.542 -19.247 354 HE2 TYR 69 HE2 TYR 69 5.450 -13.303 -18.960 355 HH TYR 69 HH TYR 69 3.484 -13.560 -20.290 356 H VAL 70 HN VAL 70 1.795 -11.033 -14.368 357 HA VAL 70 HA VAL 70 2.314 -13.686 -13.437 358 HB VAL 70 HB VAL 70 -0.143 -12.554 -14.870 359 HG11 VAL 70 HG11 VAL 70 -1.345 -14.552 -13.996 360 HG12 VAL 70 HG12 VAL 70 0.186 -15.201 -13.406 361 HG13 VAL 70 HG13 VAL 70 -0.071 -14.986 -15.136 362 HG21 VAL 70 HG21 VAL 70 0.358 -13.000 -11.893 363 HG22 VAL 70 HG22 VAL 70 -1.161 -12.451 -12.606 364 HG23 VAL 70 HG23 VAL 70 0.280 -11.438 -12.711 365 H VAL 71 HN VAL 71 3.316 -15.230 -14.634 366 HA VAL 71 HA VAL 71 3.569 -14.826 -17.546 367 HB VAL 71 HB VAL 71 5.629 -15.073 -16.129 368 HG11 VAL 71 HG11 VAL 71 6.312 -17.262 -15.258 369 HG12 VAL 71 HG12 VAL 71 4.765 -17.956 -15.746 370 HG13 VAL 71 HG13 VAL 71 4.818 -16.714 -14.494 371 HG21 VAL 71 HG21 VAL 71 5.741 -15.537 -18.541 372 HG22 VAL 71 HG22 VAL 71 5.307 -17.224 -18.256 373 HG23 VAL 71 HG23 VAL 71 6.843 -16.593 -17.656 374 H ASP 72 HN ASP 72 2.047 -16.919 -15.193 375 HA ASP 72 HA ASP 72 0.533 -18.276 -17.238 376 HB2 ASP 72 HB2 ASP 72 2.695 -19.578 -17.211 377 HB3 ASP 72 HB1 ASP 72 2.419 -19.963 -15.532 378 H THR 73 HN THR 73 -1.454 -18.501 -16.441 379 HA THR 73 HA THR 73 -1.891 -19.269 -13.604 380 HB THR 73 HB THR 73 -4.284 -18.617 -14.013 381 HG1 THR 73 HG1 THR 73 -4.354 -18.867 -16.275 382 HG21 THR 73 HG21 THR 73 -2.336 -16.368 -14.652 383 HG22 THR 73 HG22 THR 73 -2.751 -16.925 -13.029 384 HG23 THR 73 HG23 THR 73 -3.982 -16.173 -14.047 385 H SER 74 HN SER 74 -2.973 -21.215 -13.226 386 HA SER 74 HA SER 74 -4.183 -22.756 -15.352 387 HB2 SER 74 HB2 SER 74 -1.735 -23.219 -15.693 388 HB3 SER 74 HB1 SER 74 -1.646 -23.841 -14.047 389 HG SER 74 HG SER 74 -3.207 -24.862 -16.185 390 H GLU 75 HN GLU 75 -5.591 -24.273 -14.539 391 HA GLU 75 HA GLU 75 -6.249 -24.096 -11.748 392 HB2 GLU 75 HB2 GLU 75 -7.568 -25.660 -13.999 393 HB3 GLU 75 HB1 GLU 75 -8.194 -25.570 -12.349 394 HG2 GLU 75 HG2 GLU 75 -8.303 -23.058 -12.607 395 HG3 GLU 75 HG1 GLU 75 -7.856 -23.262 -14.298 396 H PHE 76 HN PHE 76 -5.580 -25.358 -10.204 397 HA PHE 76 HA PHE 76 -3.674 -27.447 -10.674 398 HB2 PHE 76 HB2 PHE 76 -3.433 -25.731 -8.853 399 HB3 PHE 76 HB1 PHE 76 -4.842 -26.402 -8.048 400 HD1 PHE 76 HD2 PHE 76 -1.338 -27.147 -9.085 401 HD2 PHE 76 HD1 PHE 76 -4.629 -28.329 -6.623 402 HE1 PHE 76 HE2 PHE 76 0.112 -28.733 -7.888 403 HE2 PHE 76 HE1 PHE 76 -3.172 -29.913 -5.438 404 HZ PHE 76 HZ PHE 76 -0.796 -30.117 -6.068 405 H GLY 77 HN GLY 77 -3.981 -29.604 -10.483 406 HA2 GLY 77 HA2 GLY 77 -4.988 -31.646 -10.167 407 HA3 GLY 77 HA1 GLY 77 -6.239 -30.856 -9.224 408 H ASN 78 HN ASN 78 -7.883 -29.632 -10.461 409 HA ASN 78 HA ASN 78 -8.405 -30.570 -13.211 410 HB2 ASN 78 HB2 ASN 78 -10.450 -30.717 -10.934 411 HB3 ASN 78 HB1 ASN 78 -10.803 -31.013 -12.634 412 HD21 ASN 78 HD21 ASN 78 -9.116 -32.223 -9.806 413 HD22 ASN 78 HD22 ASN 78 -8.970 -33.855 -10.352 414 H SER 79 HN SER 79 -10.333 -28.783 -10.788 415 HA SER 79 HA SER 79 -9.917 -26.192 -12.017 416 HB2 SER 79 HB2 SER 79 -12.641 -27.575 -12.203 417 HB3 SER 79 HB1 SER 79 -12.391 -25.847 -12.476 418 HG SER 79 HG SER 79 -10.906 -26.458 -14.158 419 H GLY 80 HN GLY 80 -11.568 -24.578 -10.906 420 HA2 GLY 80 HA2 GLY 80 -12.565 -23.706 -8.982 421 HA3 GLY 80 HA1 GLY 80 -12.318 -25.240 -8.155 422 H ASN 81 HN ASN 81 -9.969 -25.788 -7.752 423 HA ASN 81 HA ASN 81 -8.484 -23.593 -6.593 424 HB2 ASN 81 HB2 ASN 81 -8.493 -25.874 -5.537 425 HB3 ASN 81 HB1 ASN 81 -7.661 -26.521 -6.951 426 HD21 ASN 81 HD21 ASN 81 -5.770 -27.112 -5.935 427 HD22 ASN 81 HD22 ASN 81 -4.687 -25.994 -5.185 428 H TRP 82 HN TRP 82 -6.712 -22.590 -7.514 429 HA TRP 82 HA TRP 82 -5.507 -23.631 -9.936 430 HB2 TRP 82 HB2 TRP 82 -5.964 -21.649 -11.320 431 HB3 TRP 82 HB1 TRP 82 -7.446 -22.466 -10.872 432 HD1 TRP 82 HD1 TRP 82 -8.534 -21.168 -8.402 433 HE1 TRP 82 HE1 TRP 82 -8.992 -18.648 -8.202 434 HE3 TRP 82 HE3 TRP 82 -5.499 -19.480 -12.149 435 HZ2 TRP 82 HZ2 TRP 82 -8.224 -16.274 -9.482 436 HZ3 TRP 82 HZ3 TRP 82 -5.440 -17.064 -12.619 437 HH2 TRP 82 HH2 TRP 82 -6.774 -15.495 -11.310 438 H ARG 83 HN ARG 83 -3.492 -23.165 -10.085 439 HA ARG 83 HA ARG 83 -2.161 -21.436 -8.132 440 HB2 ARG 83 HB2 ARG 83 -0.061 -22.612 -9.083 441 HB3 ARG 83 HB1 ARG 83 -1.191 -23.590 -8.162 442 HG2 ARG 83 HG2 ARG 83 -0.588 -24.957 -9.964 443 HG3 ARG 83 HG1 ARG 83 -2.179 -24.347 -10.404 444 HD2 ARG 83 HD2 ARG 83 -0.928 -24.217 -12.392 445 HD3 ARG 83 HD1 ARG 83 -0.904 -22.560 -11.780 446 HE ARG 83 HE ARG 83 1.357 -23.406 -10.744 447 HH11 ARG 83 HH11 ARG 83 0.138 -24.103 -13.956 448 HH12 ARG 83 HH12 ARG 83 1.709 -24.215 -14.661 449 HH21 ARG 83 HH21 ARG 83 3.417 -23.507 -11.689 450 HH22 ARG 83 HH22 ARG 83 3.579 -23.853 -13.382 451 H VAL 84 HN VAL 84 -0.475 -20.016 -8.813 452 HA VAL 84 HA VAL 84 -0.553 -18.985 -11.562 453 HB VAL 84 HB VAL 84 -0.817 -17.168 -9.106 454 HG11 VAL 84 HG11 VAL 84 -0.765 -16.496 -12.060 455 HG12 VAL 84 HG12 VAL 84 0.505 -16.149 -10.883 456 HG13 VAL 84 HG13 VAL 84 -1.059 -15.341 -10.757 457 HG21 VAL 84 HG21 VAL 84 -3.060 -16.558 -9.938 458 HG22 VAL 84 HG22 VAL 84 -2.971 -18.273 -9.525 459 HG23 VAL 84 HG23 VAL 84 -2.923 -17.767 -11.217 460 H VAL 85 HN VAL 85 1.558 -19.188 -12.148 461 HA VAL 85 HA VAL 85 3.688 -18.374 -10.279 462 HB VAL 85 HB VAL 85 4.258 -20.403 -11.448 463 HG11 VAL 85 HG11 VAL 85 3.740 -18.999 -14.077 464 HG12 VAL 85 HG12 VAL 85 2.790 -20.308 -13.373 465 HG13 VAL 85 HG13 VAL 85 4.445 -20.609 -13.896 466 HG21 VAL 85 HG21 VAL 85 6.128 -18.834 -11.075 467 HG22 VAL 85 HG22 VAL 85 5.869 -18.127 -12.671 468 HG23 VAL 85 HG23 VAL 85 6.402 -19.803 -12.525 469 H ALA 86 HN ALA 86 4.711 -16.507 -10.469 470 HA ALA 86 HA ALA 86 4.352 -14.744 -12.776 471 HB1 ALA 86 HB1 ALA 86 3.664 -12.862 -11.328 472 HB2 ALA 86 HB2 ALA 86 3.630 -13.934 -9.924 473 HB3 ALA 86 HB3 ALA 86 2.490 -14.178 -11.248 474 H ASP 87 HN ASP 87 6.121 -13.515 -13.108 475 HA ASP 87 HA ASP 87 8.377 -13.733 -11.217 476 HB2 ASP 87 HB2 ASP 87 9.605 -12.753 -13.394 477 HB3 ASP 87 HB1 ASP 87 9.297 -14.470 -13.194 478 H VAL 88 HN VAL 88 9.445 -11.900 -10.514 479 HA VAL 88 HA VAL 88 7.898 -9.376 -10.672 480 HB VAL 88 HB VAL 88 8.519 -8.942 -8.322 481 HG11 VAL 88 HG11 VAL 88 7.090 -10.656 -7.235 482 HG12 VAL 88 HG12 VAL 88 7.203 -11.664 -8.681 483 HG13 VAL 88 HG13 VAL 88 6.398 -10.097 -8.762 484 HG21 VAL 88 HG21 VAL 88 10.663 -10.145 -8.182 485 HG22 VAL 88 HG22 VAL 88 9.830 -11.693 -8.324 486 HG23 VAL 88 HG23 VAL 88 9.576 -10.680 -6.900 487 H TYR 89 HN TYR 89 9.063 -7.422 -10.647 488 HA TYR 89 HA TYR 89 11.793 -7.633 -11.791 489 HB2 TYR 89 HB2 TYR 89 9.432 -5.991 -12.838 490 HB3 TYR 89 HB1 TYR 89 11.079 -5.869 -13.451 491 HD1 TYR 89 HD1 TYR 89 8.239 -8.287 -13.052 492 HD2 TYR 89 HD2 TYR 89 11.794 -7.311 -15.220 493 HE1 TYR 89 HE1 TYR 89 7.746 -10.061 -14.678 494 HE2 TYR 89 HE2 TYR 89 11.285 -9.088 -16.841 495 HH TYR 89 HH TYR 89 8.250 -10.828 -16.774 496 H LYS 90 HN LYS 90 13.101 -5.792 -11.631 497 HA LYS 90 HA LYS 90 12.248 -3.597 -9.840 498 HB2 LYS 90 HB2 LYS 90 15.020 -4.679 -10.509 499 HB3 LYS 90 HB1 LYS 90 14.777 -3.159 -9.656 500 HG2 LYS 90 HG2 LYS 90 13.828 -5.876 -8.662 501 HG3 LYS 90 HG1 LYS 90 15.324 -5.083 -8.152 502 HD2 LYS 90 HD2 LYS 90 12.508 -3.973 -7.756 503 HD3 LYS 90 HD1 LYS 90 13.473 -4.782 -6.516 504 HE2 LYS 90 HE2 LYS 90 15.141 -2.999 -6.593 505 HE3 LYS 90 HE1 LYS 90 14.307 -2.229 -7.941 506 HZ1 LYS 90 HZ1 LYS 90 13.183 -2.574 -5.220 507 HZ2 LYS 90 HZ2 LYS 90 12.441 -1.781 -6.513 508 HZ3 LYS 90 HZ3 LYS 90 13.848 -1.147 -5.833 509 H ALA 91 HN ALA 91 12.589 -1.461 -10.541 510 HA ALA 91 HA ALA 91 12.860 -1.122 -13.464 511 HB1 ALA 91 HB1 ALA 91 11.389 0.650 -11.486 512 HB2 ALA 91 HB2 ALA 91 10.645 -0.509 -12.587 513 HB3 ALA 91 HB3 ALA 91 11.488 0.895 -13.237 Start of MODEL 3 1 H HIS 21 HT1 HIS 21 0.663 1.164 -1.106 2 HA HIS 21 HA HIS 21 3.163 1.108 -2.687 3 HB2 HIS 21 HB2 HIS 21 3.419 1.698 -0.230 4 HB3 HIS 21 HB1 HIS 21 2.698 0.151 0.182 5 HD1 HIS 21 HD1 HIS 21 4.304 -1.806 0.373 6 HD2 HIS 21 HD2 HIS 21 6.000 1.424 -1.631 7 HE1 HIS 21 HE1 HIS 21 6.749 -2.336 0.175 8 HE2 HIS 21 HE2 HIS 21 7.724 -0.431 -1.137 9 H ALA 22 HN ALA 22 2.324 -0.225 -4.260 10 HA ALA 22 HA ALA 22 2.033 -3.059 -3.569 11 HB1 ALA 22 HB1 ALA 22 0.076 -3.348 -5.061 12 HB2 ALA 22 HB2 ALA 22 0.015 -1.604 -5.332 13 HB3 ALA 22 HB3 ALA 22 -0.306 -2.257 -3.725 14 H ALA 23 HN ALA 23 2.817 -4.424 -5.243 15 HA ALA 23 HA ALA 23 4.703 -3.322 -7.070 16 HB1 ALA 23 HB1 ALA 23 4.962 -5.634 -7.903 17 HB2 ALA 23 HB2 ALA 23 3.523 -6.122 -7.003 18 HB3 ALA 23 HB3 ALA 23 4.960 -5.580 -6.139 19 H THR 24 HN THR 24 4.440 -2.632 -9.124 20 HA THR 24 HA THR 24 1.890 -2.153 -10.256 21 HB THR 24 HB THR 24 4.612 -2.045 -11.651 22 HG1 THR 24 HG1 THR 24 4.929 -0.626 -10.096 23 HG21 THR 24 HG21 THR 24 2.024 -0.539 -12.264 24 HG22 THR 24 HG22 THR 24 2.722 -1.834 -13.239 25 HG23 THR 24 HG23 THR 24 3.575 -0.302 -13.074 26 H GLU 25 HN GLU 25 0.677 -3.403 -11.679 27 HA GLU 25 HA GLU 25 1.589 -5.952 -12.650 28 HB2 GLU 25 HB2 GLU 25 -0.838 -5.436 -12.276 29 HB3 GLU 25 HB1 GLU 25 -0.779 -4.267 -13.591 30 HG2 GLU 25 HG2 GLU 25 -0.293 -6.045 -15.199 31 HG3 GLU 25 HG1 GLU 25 -0.244 -7.243 -13.905 32 H LEU 26 HN LEU 26 3.032 -6.154 -14.269 33 HA LEU 26 HA LEU 26 3.738 -3.852 -15.915 34 HB2 LEU 26 HB2 LEU 26 5.448 -5.319 -14.650 35 HB3 LEU 26 HB1 LEU 26 5.140 -6.551 -15.856 36 HG LEU 26 HG LEU 26 5.923 -4.962 -17.637 37 HD11 LEU 26 HD11 LEU 26 7.120 -2.908 -16.999 38 HD12 LEU 26 HD12 LEU 26 6.665 -3.148 -15.310 39 HD13 LEU 26 HD13 LEU 26 5.424 -2.831 -16.526 40 HD21 LEU 26 HD21 LEU 26 8.319 -5.113 -17.122 41 HD22 LEU 26 HD22 LEU 26 7.492 -6.606 -16.688 42 HD23 LEU 26 HD23 LEU 26 7.954 -5.459 -15.428 43 H THR 27 HN THR 27 3.371 -3.754 -18.083 44 HA THR 27 HA THR 27 1.404 -5.439 -19.252 45 HB THR 27 HB THR 27 1.812 -4.101 -21.328 46 HG1 THR 27 HG1 THR 27 3.537 -2.296 -20.216 47 HG21 THR 27 HG21 THR 27 0.287 -3.169 -19.636 48 HG22 THR 27 HG22 THR 27 1.192 -1.886 -20.439 49 HG23 THR 27 HG23 THR 27 1.649 -2.400 -18.815 50 HA PRO 28 HA PRO 28 3.759 -8.907 -21.016 51 HB2 PRO 28 HB2 PRO 28 2.106 -8.147 -23.448 52 HB3 PRO 28 HB1 PRO 28 2.439 -9.757 -22.784 53 HG2 PRO 28 HG2 PRO 28 0.102 -8.551 -22.308 54 HG3 PRO 28 HG1 PRO 28 0.907 -9.489 -21.029 55 HD2 PRO 28 HD2 PRO 28 0.640 -6.522 -21.319 56 HD3 PRO 28 HD1 PRO 28 0.792 -7.501 -19.847 57 H GLU 29 HN GLU 29 3.393 -5.902 -22.832 58 HA GLU 29 HA GLU 29 5.455 -6.229 -24.733 59 HB2 GLU 29 HB2 GLU 29 3.592 -4.592 -24.906 60 HB3 GLU 29 HB1 GLU 29 4.259 -3.682 -23.557 61 HG2 GLU 29 HG2 GLU 29 6.193 -3.042 -24.854 62 HG3 GLU 29 HG1 GLU 29 5.724 -4.116 -26.174 63 H GLN 30 HN GLN 30 5.425 -4.295 -21.696 64 HA GLN 30 HA GLN 30 8.184 -3.631 -21.732 65 HB2 GLN 30 HB2 GLN 30 6.224 -3.709 -19.410 66 HB3 GLN 30 HB1 GLN 30 7.850 -3.030 -19.306 67 HG2 GLN 30 HG2 GLN 30 7.248 -1.348 -21.010 68 HG3 GLN 30 HG1 GLN 30 5.619 -2.027 -21.097 69 HE21 GLN 30 HE21 GLN 30 7.884 -0.266 -19.083 70 HE22 GLN 30 HE22 GLN 30 6.720 0.360 -17.974 71 H ALA 31 HN ALA 31 6.423 -6.359 -20.427 72 HA ALA 31 HA ALA 31 8.433 -7.375 -18.683 73 HB1 ALA 31 HB1 ALA 31 6.965 -9.336 -18.483 74 HB2 ALA 31 HB2 ALA 31 5.984 -8.740 -19.825 75 HB3 ALA 31 HB3 ALA 31 6.060 -7.830 -18.315 76 H ALA 32 HN ALA 32 7.756 -7.758 -22.079 77 HA ALA 32 HA ALA 32 9.432 -10.092 -22.478 78 HB1 ALA 32 HB1 ALA 32 8.983 -9.730 -24.868 79 HB2 ALA 32 HB2 ALA 32 8.247 -8.166 -24.502 80 HB3 ALA 32 HB3 ALA 32 7.489 -9.652 -23.929 81 H ALA 33 HN ALA 33 9.957 -6.697 -22.213 82 HA ALA 33 HA ALA 33 12.559 -6.753 -23.599 83 HB1 ALA 33 HB1 ALA 33 11.052 -4.894 -24.127 84 HB2 ALA 33 HB2 ALA 33 12.522 -4.306 -23.346 85 HB3 ALA 33 HB3 ALA 33 11.016 -4.422 -22.428 86 H LEU 34 HN LEU 34 11.129 -6.221 -20.433 87 HA LEU 34 HA LEU 34 13.670 -5.758 -19.096 88 HB2 LEU 34 HB2 LEU 34 10.830 -5.905 -18.008 89 HB3 LEU 34 HB1 LEU 34 12.244 -5.498 -17.043 90 HG LEU 34 HG LEU 34 11.194 -3.851 -19.383 91 HD11 LEU 34 HD11 LEU 34 10.978 -3.285 -16.407 92 HD12 LEU 34 HD12 LEU 34 9.650 -3.730 -17.480 93 HD13 LEU 34 HD13 LEU 34 10.481 -2.193 -17.705 94 HD21 LEU 34 HD21 LEU 34 13.441 -3.240 -17.432 95 HD22 LEU 34 HD22 LEU 34 12.812 -2.135 -18.653 96 HD23 LEU 34 HD23 LEU 34 13.620 -3.617 -19.149 97 H LYS 35 HN LYS 35 14.626 -7.193 -17.689 98 HA LYS 35 HA LYS 35 13.682 -9.984 -17.788 99 HB2 LYS 35 HB2 LYS 35 16.455 -8.813 -17.361 100 HB3 LYS 35 HB1 LYS 35 16.091 -10.490 -16.981 101 HG2 LYS 35 HG2 LYS 35 17.103 -10.458 -19.151 102 HG3 LYS 35 HG1 LYS 35 15.394 -10.841 -19.368 103 HD2 LYS 35 HD2 LYS 35 14.993 -8.437 -19.989 104 HD3 LYS 35 HD1 LYS 35 16.730 -8.157 -19.863 105 HE2 LYS 35 HE2 LYS 35 17.098 -9.843 -21.668 106 HE3 LYS 35 HE1 LYS 35 15.351 -10.031 -21.818 107 HZ1 LYS 35 HZ1 LYS 35 16.878 -7.531 -22.298 108 HZ2 LYS 35 HZ2 LYS 35 15.200 -7.692 -22.425 109 HZ3 LYS 35 HZ3 LYS 35 16.210 -8.535 -23.485 110 HA PRO 36 HA PRO 36 12.758 -9.507 -13.358 111 HB2 PRO 36 HB2 PRO 36 11.775 -11.984 -12.904 112 HB3 PRO 36 HB1 PRO 36 10.883 -10.814 -13.894 113 HG2 PRO 36 HG2 PRO 36 12.688 -13.067 -14.796 114 HG3 PRO 36 HG1 PRO 36 11.052 -12.657 -15.359 115 HD2 PRO 36 HD2 PRO 36 13.295 -11.883 -16.697 116 HD3 PRO 36 HD1 PRO 36 11.807 -10.908 -16.688 117 H TYR 37 HN TYR 37 13.519 -10.409 -11.328 118 HA TYR 37 HA TYR 37 16.185 -11.667 -11.519 119 HB2 TYR 37 HB2 TYR 37 16.669 -10.728 -9.363 120 HB3 TYR 37 HB1 TYR 37 15.893 -9.454 -10.291 121 HD1 TYR 37 HD1 TYR 37 13.375 -9.009 -9.847 122 HD2 TYR 37 HD2 TYR 37 15.800 -11.359 -7.227 123 HE1 TYR 37 HE1 TYR 37 11.741 -8.686 -8.038 124 HE2 TYR 37 HE2 TYR 37 14.164 -11.038 -5.428 125 HH TYR 37 HH TYR 37 11.092 -10.023 -5.872 126 H ASP 38 HN ASP 38 12.948 -12.345 -10.602 127 HA ASP 38 HA ASP 38 13.528 -15.027 -9.671 128 HB2 ASP 38 HB2 ASP 38 13.807 -13.650 -7.589 129 HB3 ASP 38 HB1 ASP 38 12.185 -13.005 -7.802 130 H ARG 39 HN ARG 39 11.542 -16.309 -9.472 131 HA ARG 39 HA ARG 39 9.079 -15.069 -10.571 132 HB2 ARG 39 HB2 ARG 39 10.037 -17.946 -10.961 133 HB3 ARG 39 HB1 ARG 39 8.500 -17.294 -11.530 134 HG2 ARG 39 HG2 ARG 39 9.765 -15.722 -12.995 135 HG3 ARG 39 HG1 ARG 39 11.269 -16.483 -12.482 136 HD2 ARG 39 HD2 ARG 39 9.003 -17.947 -13.887 137 HD3 ARG 39 HD1 ARG 39 10.413 -17.270 -14.706 138 HE ARG 39 HE ARG 39 10.916 -19.193 -12.557 139 HH11 ARG 39 HH11 ARG 39 10.697 -18.683 -16.044 140 HH12 ARG 39 HH12 ARG 39 11.630 -20.098 -16.414 141 HH21 ARG 39 HH21 ARG 39 12.126 -21.026 -13.084 142 HH22 ARG 39 HH22 ARG 39 12.445 -21.413 -14.742 143 H ILE 40 HN ILE 40 7.568 -14.945 -8.979 144 HA ILE 40 HA ILE 40 7.682 -16.765 -6.684 145 HB ILE 40 HB ILE 40 5.926 -15.382 -5.641 146 HG12 ILE 40 HG12 ILE 40 6.012 -13.608 -8.143 147 HG13 ILE 40 HG11 ILE 40 4.686 -14.688 -7.730 148 HG21 ILE 40 HG21 ILE 40 8.289 -14.729 -5.330 149 HG22 ILE 40 HG22 ILE 40 7.233 -13.320 -5.285 150 HG23 ILE 40 HG23 ILE 40 8.192 -13.658 -6.731 151 HD11 ILE 40 HD11 ILE 40 5.575 -12.283 -6.139 152 HD12 ILE 40 HD12 ILE 40 4.249 -13.368 -5.707 153 HD13 ILE 40 HD13 ILE 40 4.157 -12.399 -7.175 154 H VAL 41 HN VAL 41 6.381 -18.462 -6.446 155 HA VAL 41 HA VAL 41 4.084 -18.855 -8.276 156 HB VAL 41 HB VAL 41 5.553 -20.974 -6.622 157 HG11 VAL 41 HG11 VAL 41 3.456 -21.296 -8.810 158 HG12 VAL 41 HG12 VAL 41 3.214 -21.583 -7.085 159 HG13 VAL 41 HG13 VAL 41 4.312 -22.614 -8.001 160 HG21 VAL 41 HG21 VAL 41 6.566 -21.734 -8.745 161 HG22 VAL 41 HG22 VAL 41 7.042 -20.077 -8.372 162 HG23 VAL 41 HG23 VAL 41 5.812 -20.384 -9.601 163 H ILE 42 HN ILE 42 2.187 -18.511 -7.391 164 HA ILE 42 HA ILE 42 1.719 -18.908 -4.490 165 HB ILE 42 HB ILE 42 0.020 -17.164 -4.525 166 HG12 ILE 42 HG12 ILE 42 0.639 -16.508 -7.441 167 HG13 ILE 42 HG11 ILE 42 -0.647 -17.622 -7.007 168 HG21 ILE 42 HG21 ILE 42 2.550 -16.084 -5.836 169 HG22 ILE 42 HG22 ILE 42 2.301 -16.341 -4.109 170 HG23 ILE 42 HG23 ILE 42 1.360 -15.116 -4.960 171 HD11 ILE 42 HD11 ILE 42 -1.777 -15.855 -5.770 172 HD12 ILE 42 HD12 ILE 42 -1.495 -15.411 -7.453 173 HD13 ILE 42 HD13 ILE 42 -0.476 -14.733 -6.186 174 H THR 43 HN THR 43 -0.798 -19.213 -4.161 175 HA THR 43 HA THR 43 -2.006 -20.792 -6.362 176 HB THR 43 HB THR 43 -3.403 -21.870 -4.502 177 HG1 THR 43 HG1 THR 43 -2.197 -21.811 -2.397 178 HG21 THR 43 HG21 THR 43 -1.540 -23.070 -5.587 179 HG22 THR 43 HG22 THR 43 -1.660 -23.494 -3.881 180 HG23 THR 43 HG23 THR 43 -0.406 -22.379 -4.423 181 H GLY 44 HN GLY 44 -3.646 -19.771 -7.305 182 HA2 GLY 44 HA2 GLY 44 -5.151 -17.653 -5.854 183 HA3 GLY 44 HA1 GLY 44 -4.912 -17.726 -7.599 184 H ARG 45 HN ARG 45 -7.368 -17.900 -5.677 185 HA ARG 45 HA ARG 45 -8.435 -20.527 -6.490 186 HB2 ARG 45 HB2 ARG 45 -9.306 -18.552 -4.350 187 HB3 ARG 45 HB1 ARG 45 -10.226 -20.002 -4.759 188 HG2 ARG 45 HG2 ARG 45 -8.407 -21.446 -4.064 189 HG3 ARG 45 HG1 ARG 45 -7.327 -20.064 -3.859 190 HD2 ARG 45 HD2 ARG 45 -9.823 -20.578 -2.204 191 HD3 ARG 45 HD1 ARG 45 -8.167 -20.943 -1.702 192 HE ARG 45 HE ARG 45 -7.808 -18.422 -2.147 193 HH11 ARG 45 HH11 ARG 45 -10.728 -19.782 -0.742 194 HH12 ARG 45 HH12 ARG 45 -11.106 -18.336 0.141 195 HH21 ARG 45 HH21 ARG 45 -8.317 -16.549 -1.001 196 HH22 ARG 45 HH22 ARG 45 -9.738 -16.509 -0.001 197 H PHE 46 HN PHE 46 -10.928 -20.464 -6.830 198 HA PHE 46 HA PHE 46 -11.285 -19.181 -9.356 199 HB2 PHE 46 HB2 PHE 46 -12.080 -21.509 -8.708 200 HB3 PHE 46 HB1 PHE 46 -13.344 -20.760 -7.744 201 HD1 PHE 46 HD2 PHE 46 -11.999 -20.805 -11.260 202 HD2 PHE 46 HD1 PHE 46 -15.456 -20.401 -8.769 203 HE1 PHE 46 HE2 PHE 46 -13.442 -20.759 -13.256 204 HE2 PHE 46 HE1 PHE 46 -16.887 -20.353 -10.772 205 HZ PHE 46 HZ PHE 46 -15.884 -20.534 -13.017 206 H ASN 47 HN ASN 47 -11.597 -17.825 -6.395 207 HA ASN 47 HA ASN 47 -13.962 -16.422 -6.216 208 HB2 ASN 47 HB2 ASN 47 -11.163 -15.423 -5.540 209 HB3 ASN 47 HB1 ASN 47 -12.659 -14.725 -4.929 210 HD21 ASN 47 HD21 ASN 47 -10.378 -15.914 -3.504 211 HD22 ASN 47 HD22 ASN 47 -11.049 -17.155 -2.506 212 H ALA 48 HN ALA 48 -10.990 -15.410 -7.944 213 HA ALA 48 HA ALA 48 -12.309 -14.055 -10.061 214 HB1 ALA 48 HB1 ALA 48 -12.811 -12.364 -8.314 215 HB2 ALA 48 HB2 ALA 48 -11.705 -11.709 -9.523 216 HB3 ALA 48 HB3 ALA 48 -11.094 -12.216 -7.945 217 H ILE 49 HN ILE 49 -10.755 -13.007 -11.549 218 HA ILE 49 HA ILE 49 -8.117 -14.057 -11.653 219 HB ILE 49 HB ILE 49 -9.119 -13.350 -13.737 220 HG12 ILE 49 HG12 ILE 49 -7.380 -11.797 -14.698 221 HG13 ILE 49 HG11 ILE 49 -6.812 -11.442 -13.072 222 HG21 ILE 49 HG21 ILE 49 -10.644 -11.627 -12.916 223 HG22 ILE 49 HG22 ILE 49 -9.709 -11.013 -14.280 224 HG23 ILE 49 HG23 ILE 49 -9.297 -10.526 -12.632 225 HD11 ILE 49 HD11 ILE 49 -5.360 -13.014 -14.216 226 HD12 ILE 49 HD12 ILE 49 -6.702 -14.133 -14.440 227 HD13 ILE 49 HD13 ILE 49 -6.108 -13.779 -12.814 228 H GLY 50 HN GLY 50 -9.476 -10.994 -10.495 229 HA2 GLY 50 HA2 GLY 50 -7.041 -9.721 -9.747 230 HA3 GLY 50 HA1 GLY 50 -8.651 -9.261 -9.246 231 H ASP 51 HN ASP 51 -8.896 -12.180 -8.203 232 HA ASP 51 HA ASP 51 -8.146 -11.850 -5.481 233 HB2 ASP 51 HB2 ASP 51 -9.936 -13.364 -6.056 234 HB3 ASP 51 HB1 ASP 51 -8.916 -14.274 -7.152 235 H ALA 52 HN ALA 52 -6.777 -13.854 -8.083 236 HA ALA 52 HA ALA 52 -4.442 -14.695 -6.694 237 HB1 ALA 52 HB1 ALA 52 -3.687 -15.521 -8.864 238 HB2 ALA 52 HB2 ALA 52 -4.966 -14.613 -9.679 239 HB3 ALA 52 HB3 ALA 52 -5.377 -15.938 -8.589 240 H VAL 53 HN VAL 53 -5.018 -12.150 -9.132 241 HA VAL 53 HA VAL 53 -2.391 -11.221 -9.455 242 HB VAL 53 HB VAL 53 -5.055 -9.776 -9.828 243 HG11 VAL 53 HG11 VAL 53 -3.341 -8.048 -9.497 244 HG12 VAL 53 HG12 VAL 53 -3.843 -8.083 -11.186 245 HG13 VAL 53 HG13 VAL 53 -2.306 -8.807 -10.708 246 HG21 VAL 53 HG21 VAL 53 -4.649 -10.203 -12.238 247 HG22 VAL 53 HG22 VAL 53 -4.692 -11.707 -11.319 248 HG23 VAL 53 HG23 VAL 53 -3.145 -11.037 -11.839 249 H SER 54 HN SER 54 -4.827 -10.357 -7.036 250 HA SER 54 HA SER 54 -3.473 -8.220 -5.751 251 HB2 SER 54 HB2 SER 54 -5.852 -8.625 -5.335 252 HB3 SER 54 HB1 SER 54 -5.503 -10.212 -4.655 253 HG SER 54 HG SER 54 -4.951 -9.312 -2.828 254 H ALA 55 HN ALA 55 -3.487 -11.737 -5.174 255 HA ALA 55 HA ALA 55 -1.741 -11.708 -2.918 256 HB1 ALA 55 HB1 ALA 55 -3.296 -13.551 -3.336 257 HB2 ALA 55 HB2 ALA 55 -1.639 -14.147 -3.225 258 HB3 ALA 55 HB3 ALA 55 -2.417 -13.983 -4.802 259 H VAL 56 HN VAL 56 -1.165 -11.841 -6.408 260 HA VAL 56 HA VAL 56 1.642 -12.444 -6.282 261 HB VAL 56 HB VAL 56 0.182 -10.959 -8.533 262 HG11 VAL 56 HG11 VAL 56 2.854 -12.421 -8.538 263 HG12 VAL 56 HG12 VAL 56 2.621 -10.674 -8.620 264 HG13 VAL 56 HG13 VAL 56 2.079 -11.694 -9.951 265 HG21 VAL 56 HG21 VAL 56 0.063 -13.130 -9.719 266 HG22 VAL 56 HG22 VAL 56 -0.838 -13.175 -8.206 267 HG23 VAL 56 HG23 VAL 56 0.742 -13.946 -8.307 268 H SER 57 HN SER 57 -0.282 -9.479 -6.482 269 HA SER 57 HA SER 57 1.796 -7.618 -6.884 270 HB2 SER 57 HB2 SER 57 -0.590 -7.132 -7.399 271 HB3 SER 57 HB1 SER 57 -0.969 -7.139 -5.679 272 HG SER 57 HG SER 57 0.445 -5.261 -7.197 273 H ARG 58 HN ARG 58 0.108 -8.703 -3.964 274 HA ARG 58 HA ARG 58 1.463 -6.951 -2.170 275 HB2 ARG 58 HB2 ARG 58 -0.275 -9.399 -1.674 276 HB3 ARG 58 HB1 ARG 58 0.401 -8.420 -0.373 277 HG2 ARG 58 HG2 ARG 58 -1.522 -7.441 -2.517 278 HG3 ARG 58 HG1 ARG 58 -1.934 -7.802 -0.835 279 HD2 ARG 58 HD2 ARG 58 -0.519 -5.987 -0.044 280 HD3 ARG 58 HD1 ARG 58 0.082 -5.682 -1.679 281 HE ARG 58 HE ARG 58 -2.797 -5.428 -1.348 282 HH11 ARG 58 HH11 ARG 58 0.272 -3.710 -1.290 283 HH12 ARG 58 HH12 ARG 58 -0.451 -2.169 -1.600 284 HH21 ARG 58 HH21 ARG 58 -3.727 -3.402 -1.766 285 HH22 ARG 58 HH22 ARG 58 -2.716 -1.992 -1.871 286 H ARG 59 HN ARG 59 1.966 -10.321 -3.188 287 HA ARG 59 HA ARG 59 3.966 -10.941 -1.251 288 HB2 ARG 59 HB2 ARG 59 2.751 -12.700 -2.567 289 HB3 ARG 59 HB1 ARG 59 3.621 -12.205 -4.015 290 HG2 ARG 59 HG2 ARG 59 4.677 -14.195 -3.081 291 HG3 ARG 59 HG1 ARG 59 5.774 -12.821 -2.916 292 HD2 ARG 59 HD2 ARG 59 4.809 -12.566 -0.524 293 HD3 ARG 59 HD1 ARG 59 4.134 -14.176 -0.767 294 HE ARG 59 HE ARG 59 6.562 -14.828 -1.235 295 HH11 ARG 59 HH11 ARG 59 5.674 -12.281 1.015 296 HH12 ARG 59 HH12 ARG 59 7.047 -12.544 2.036 297 HH21 ARG 59 HH21 ARG 59 8.381 -15.139 0.114 298 HH22 ARG 59 HH22 ARG 59 8.579 -14.153 1.524 299 H ALA 60 HN ALA 60 4.156 -9.889 -4.628 300 HA ALA 60 HA ALA 60 6.945 -9.635 -4.892 301 HB1 ALA 60 HB1 ALA 60 5.438 -9.696 -6.825 302 HB2 ALA 60 HB2 ALA 60 6.429 -8.236 -6.864 303 HB3 ALA 60 HB3 ALA 60 4.740 -8.145 -6.352 304 H ASP 61 HN ASP 61 4.464 -7.466 -3.669 305 HA ASP 61 HA ASP 61 5.957 -5.069 -3.479 306 HB2 ASP 61 HB2 ASP 61 3.471 -5.175 -3.367 307 HB3 ASP 61 HB1 ASP 61 3.578 -5.986 -1.809 308 H GLU 62 HN GLU 62 5.420 -7.770 -1.203 309 HA GLU 62 HA GLU 62 6.883 -6.767 1.015 310 HB2 GLU 62 HB2 GLU 62 6.364 -9.651 0.177 311 HB3 GLU 62 HB1 GLU 62 7.025 -9.175 1.741 312 HG2 GLU 62 HG2 GLU 62 4.934 -7.983 2.269 313 HG3 GLU 62 HG1 GLU 62 4.275 -8.427 0.698 314 H GLU 63 HN GLU 63 7.837 -8.525 -1.879 315 HA GLU 63 HA GLU 63 10.587 -8.951 -1.099 316 HB2 GLU 63 HB2 GLU 63 9.343 -9.142 -3.874 317 HB3 GLU 63 HB1 GLU 63 10.887 -9.827 -3.366 318 HG2 GLU 63 HG2 GLU 63 8.106 -10.705 -2.529 319 HG3 GLU 63 HG1 GLU 63 9.265 -11.601 -3.504 320 H GLY 64 HN GLY 64 8.889 -6.234 -2.148 321 HA2 GLY 64 HA2 GLY 64 9.614 -4.077 -2.508 322 HA3 GLY 64 HA1 GLY 64 11.277 -4.637 -2.425 323 H ALA 65 HN ALA 65 9.258 -6.321 -4.612 324 HA ALA 65 HA ALA 65 10.690 -5.492 -6.944 325 HB1 ALA 65 HB1 ALA 65 9.865 -7.800 -6.690 326 HB2 ALA 65 HB2 ALA 65 9.197 -7.052 -8.143 327 HB3 ALA 65 HB3 ALA 65 8.198 -7.219 -6.697 328 H ALA 66 HN ALA 66 10.205 -3.919 -8.322 329 HA ALA 66 HA ALA 66 8.205 -1.963 -7.799 330 HB1 ALA 66 HB1 ALA 66 9.962 -2.342 -10.253 331 HB2 ALA 66 HB2 ALA 66 10.370 -1.401 -8.816 332 HB3 ALA 66 HB3 ALA 66 9.042 -0.887 -9.854 333 H SER 67 HN SER 67 8.363 -4.766 -9.882 334 HA SER 67 HA SER 67 5.603 -4.384 -10.784 335 HB2 SER 67 HB2 SER 67 7.942 -4.775 -12.707 336 HB3 SER 67 HB1 SER 67 6.238 -4.816 -13.160 337 HG SER 67 HG SER 67 6.546 -2.568 -11.873 338 H PHE 68 HN PHE 68 4.830 -6.306 -12.009 339 HA PHE 68 HA PHE 68 6.262 -8.831 -11.729 340 HB2 PHE 68 HB2 PHE 68 4.429 -10.017 -10.640 341 HB3 PHE 68 HB1 PHE 68 4.871 -8.653 -9.627 342 HD1 PHE 68 HD1 PHE 68 2.241 -10.041 -11.857 343 HD2 PHE 68 HD2 PHE 68 3.276 -6.826 -9.228 344 HE1 PHE 68 HE1 PHE 68 -0.114 -9.335 -11.791 345 HE2 PHE 68 HE2 PHE 68 0.915 -6.136 -9.173 346 HZ PHE 68 HZ PHE 68 -0.778 -7.380 -10.450 347 H TYR 69 HN TYR 69 5.097 -10.554 -13.003 348 HA TYR 69 HA TYR 69 2.970 -9.745 -14.793 349 HB2 TYR 69 HB2 TYR 69 4.786 -8.931 -16.136 350 HB3 TYR 69 HB1 TYR 69 5.778 -10.348 -15.807 351 HD1 TYR 69 HD1 TYR 69 2.474 -9.451 -17.425 352 HD2 TYR 69 HD2 TYR 69 5.912 -11.993 -17.489 353 HE1 TYR 69 HE1 TYR 69 1.678 -10.487 -19.511 354 HE2 TYR 69 HE2 TYR 69 5.116 -13.015 -19.574 355 HH TYR 69 HH TYR 69 2.992 -13.362 -20.744 356 H VAL 70 HN VAL 70 1.648 -11.442 -15.084 357 HA VAL 70 HA VAL 70 2.280 -14.031 -13.961 358 HB VAL 70 HB VAL 70 -0.198 -13.024 -15.444 359 HG11 VAL 70 HG11 VAL 70 -1.351 -15.045 -14.571 360 HG12 VAL 70 HG12 VAL 70 0.192 -15.654 -13.965 361 HG13 VAL 70 HG13 VAL 70 -0.058 -15.450 -15.699 362 HG21 VAL 70 HG21 VAL 70 0.308 -13.436 -12.463 363 HG22 VAL 70 HG22 VAL 70 -1.227 -12.945 -13.184 364 HG23 VAL 70 HG23 VAL 70 0.176 -11.884 -13.294 365 H VAL 71 HN VAL 71 3.475 -15.446 -15.027 366 HA VAL 71 HA VAL 71 3.534 -15.517 -17.973 367 HB VAL 71 HB VAL 71 5.546 -16.943 -17.733 368 HG11 VAL 71 HG11 VAL 71 5.834 -14.509 -17.867 369 HG12 VAL 71 HG12 VAL 71 7.075 -15.226 -16.840 370 HG13 VAL 71 HG13 VAL 71 5.712 -14.375 -16.109 371 HG21 VAL 71 HG21 VAL 71 5.209 -16.576 -14.724 372 HG22 VAL 71 HG22 VAL 71 6.601 -17.316 -15.521 373 HG23 VAL 71 HG23 VAL 71 5.021 -18.090 -15.617 374 H ASP 72 HN ASP 72 2.351 -17.346 -15.250 375 HA ASP 72 HA ASP 72 1.284 -19.438 -17.003 376 HB2 ASP 72 HB2 ASP 72 3.552 -20.239 -16.256 377 HB3 ASP 72 HB1 ASP 72 3.030 -20.107 -14.586 378 H THR 73 HN THR 73 -0.656 -20.114 -16.344 379 HA THR 73 HA THR 73 -1.465 -19.999 -13.513 380 HB THR 73 HB THR 73 -3.839 -19.437 -14.311 381 HG1 THR 73 HG1 THR 73 -3.971 -19.547 -16.439 382 HG21 THR 73 HG21 THR 73 -2.429 -17.726 -13.212 383 HG22 THR 73 HG22 THR 73 -3.459 -17.010 -14.452 384 HG23 THR 73 HG23 THR 73 -1.746 -17.285 -14.778 385 H SER 74 HN SER 74 -1.535 -22.096 -13.043 386 HA SER 74 HA SER 74 -2.723 -24.061 -14.922 387 HB2 SER 74 HB2 SER 74 -0.274 -24.365 -14.736 388 HB3 SER 74 HB1 SER 74 -0.397 -24.441 -12.980 389 HG SER 74 HG SER 74 -1.937 -26.228 -14.484 390 H GLU 75 HN GLU 75 -4.270 -25.435 -14.045 391 HA GLU 75 HA GLU 75 -5.456 -24.784 -11.536 392 HB2 GLU 75 HB2 GLU 75 -6.974 -26.699 -11.968 393 HB3 GLU 75 HB1 GLU 75 -6.835 -25.632 -13.363 394 HG2 GLU 75 HG2 GLU 75 -5.311 -27.206 -14.457 395 HG3 GLU 75 HG1 GLU 75 -5.352 -28.259 -13.041 396 H PHE 76 HN PHE 76 -5.784 -26.254 -9.741 397 HA PHE 76 HA PHE 76 -3.443 -27.703 -8.869 398 HB2 PHE 76 HB2 PHE 76 -4.892 -26.333 -7.334 399 HB3 PHE 76 HB1 PHE 76 -6.211 -27.468 -7.584 400 HD1 PHE 76 HD2 PHE 76 -2.805 -27.077 -6.124 401 HD2 PHE 76 HD1 PHE 76 -6.300 -29.537 -6.319 402 HE1 PHE 76 HE2 PHE 76 -1.982 -28.412 -4.225 403 HE2 PHE 76 HE1 PHE 76 -5.463 -30.868 -4.426 404 HZ PHE 76 HZ PHE 76 -3.305 -30.307 -3.375 405 H GLY 77 HN GLY 77 -6.673 -28.399 -10.060 406 HA2 GLY 77 HA2 GLY 77 -6.487 -30.475 -11.599 407 HA3 GLY 77 HA1 GLY 77 -6.237 -31.309 -10.068 408 H ASN 78 HN ASN 78 -7.932 -31.590 -8.671 409 HA ASN 78 HA ASN 78 -10.604 -31.412 -9.799 410 HB2 ASN 78 HB2 ASN 78 -9.639 -32.699 -7.202 411 HB3 ASN 78 HB1 ASN 78 -11.262 -32.847 -7.872 412 HD21 ASN 78 HD21 ASN 78 -7.906 -33.772 -8.249 413 HD22 ASN 78 HD22 ASN 78 -8.177 -35.068 -9.355 414 H SER 79 HN SER 79 -8.669 -29.741 -7.470 415 HA SER 79 HA SER 79 -10.799 -28.423 -6.050 416 HB2 SER 79 HB2 SER 79 -7.830 -27.737 -6.260 417 HB3 SER 79 HB1 SER 79 -8.962 -27.015 -5.117 418 HG SER 79 HG SER 79 -8.930 -29.765 -5.082 419 H GLY 80 HN GLY 80 -11.448 -26.259 -6.233 420 HA2 GLY 80 HA2 GLY 80 -11.258 -24.986 -8.852 421 HA3 GLY 80 HA1 GLY 80 -12.221 -24.452 -7.483 422 H ASN 81 HN ASN 81 -8.772 -25.106 -7.831 423 HA ASN 81 HA ASN 81 -8.044 -22.326 -7.181 424 HB2 ASN 81 HB2 ASN 81 -7.763 -23.556 -5.104 425 HB3 ASN 81 HB1 ASN 81 -6.943 -24.876 -5.926 426 HD21 ASN 81 HD21 ASN 81 -4.752 -24.662 -6.433 427 HD22 ASN 81 HD22 ASN 81 -3.781 -23.364 -5.848 428 H TRP 82 HN TRP 82 -6.909 -21.587 -8.796 429 HA TRP 82 HA TRP 82 -5.193 -23.315 -10.457 430 HB2 TRP 82 HB2 TRP 82 -5.419 -21.368 -12.137 431 HB3 TRP 82 HB1 TRP 82 -6.852 -22.347 -11.878 432 HD1 TRP 82 HD1 TRP 82 -8.789 -21.178 -10.180 433 HE1 TRP 82 HE1 TRP 82 -9.459 -18.701 -9.968 434 HE3 TRP 82 HE3 TRP 82 -4.681 -19.007 -12.340 435 HZ2 TRP 82 HZ2 TRP 82 -8.420 -16.197 -10.626 436 HZ3 TRP 82 HZ3 TRP 82 -4.614 -16.553 -12.514 437 HH2 TRP 82 HH2 TRP 82 -6.447 -15.177 -11.673 438 H ARG 83 HN ARG 83 -3.182 -23.245 -9.714 439 HA ARG 83 HA ARG 83 -2.021 -21.177 -8.146 440 HB2 ARG 83 HB2 ARG 83 -0.012 -22.478 -8.153 441 HB3 ARG 83 HB1 ARG 83 -1.318 -23.642 -8.190 442 HG2 ARG 83 HG2 ARG 83 0.017 -24.615 -9.782 443 HG3 ARG 83 HG1 ARG 83 -0.863 -23.519 -10.842 444 HD2 ARG 83 HD2 ARG 83 1.046 -21.850 -10.492 445 HD3 ARG 83 HD1 ARG 83 1.940 -23.164 -9.721 446 HE ARG 83 HE ARG 83 1.183 -22.938 -12.562 447 HH11 ARG 83 HH11 ARG 83 2.849 -24.822 -10.110 448 HH12 ARG 83 HH12 ARG 83 3.864 -25.622 -11.265 449 HH21 ARG 83 HH21 ARG 83 2.511 -23.969 -14.046 450 HH22 ARG 83 HH22 ARG 83 3.660 -25.156 -13.509 451 H VAL 84 HN VAL 84 -0.347 -19.695 -8.750 452 HA VAL 84 HA VAL 84 -0.283 -18.942 -11.618 453 HB VAL 84 HB VAL 84 -0.496 -17.012 -9.256 454 HG11 VAL 84 HG11 VAL 84 -0.419 -16.408 -12.233 455 HG12 VAL 84 HG12 VAL 84 0.844 -16.044 -11.056 456 HG13 VAL 84 HG13 VAL 84 -0.713 -15.226 -10.951 457 HG21 VAL 84 HG21 VAL 84 -2.639 -18.119 -9.625 458 HG22 VAL 84 HG22 VAL 84 -2.592 -17.718 -11.344 459 HG23 VAL 84 HG23 VAL 84 -2.737 -16.438 -10.140 460 H VAL 85 HN VAL 85 1.788 -19.333 -12.233 461 HA VAL 85 HA VAL 85 4.032 -18.438 -10.570 462 HB VAL 85 HB VAL 85 4.152 -19.439 -13.458 463 HG11 VAL 85 HG11 VAL 85 6.127 -18.154 -12.751 464 HG12 VAL 85 HG12 VAL 85 6.537 -19.853 -12.989 465 HG13 VAL 85 HG13 VAL 85 6.340 -19.215 -11.353 466 HG21 VAL 85 HG21 VAL 85 4.488 -21.065 -10.904 467 HG22 VAL 85 HG22 VAL 85 4.783 -21.650 -12.545 468 HG23 VAL 85 HG23 VAL 85 3.154 -21.190 -12.056 469 H ALA 86 HN ALA 86 4.762 -16.416 -10.702 470 HA ALA 86 HA ALA 86 4.274 -14.739 -13.065 471 HB1 ALA 86 HB1 ALA 86 2.375 -14.314 -11.551 472 HB2 ALA 86 HB2 ALA 86 3.421 -12.900 -11.666 473 HB3 ALA 86 HB3 ALA 86 3.486 -13.931 -10.234 474 H ASP 87 HN ASP 87 6.141 -13.783 -13.600 475 HA ASP 87 HA ASP 87 8.400 -13.899 -11.788 476 HB2 ASP 87 HB2 ASP 87 9.739 -13.128 -13.715 477 HB3 ASP 87 HB1 ASP 87 8.805 -14.567 -14.070 478 H VAL 88 HN VAL 88 9.538 -12.144 -11.008 479 HA VAL 88 HA VAL 88 7.968 -9.649 -10.766 480 HB VAL 88 HB VAL 88 8.900 -9.486 -8.416 481 HG11 VAL 88 HG11 VAL 88 7.330 -11.137 -7.439 482 HG12 VAL 88 HG12 VAL 88 7.199 -11.942 -9.005 483 HG13 VAL 88 HG13 VAL 88 6.613 -10.290 -8.815 484 HG21 VAL 88 HG21 VAL 88 10.850 -11.011 -8.670 485 HG22 VAL 88 HG22 VAL 88 9.760 -12.385 -8.860 486 HG23 VAL 88 HG23 VAL 88 9.819 -11.505 -7.328 487 H TYR 89 HN TYR 89 9.037 -7.711 -10.769 488 HA TYR 89 HA TYR 89 11.755 -7.738 -11.955 489 HB2 TYR 89 HB2 TYR 89 9.394 -5.913 -12.658 490 HB3 TYR 89 HB1 TYR 89 11.000 -5.842 -13.381 491 HD1 TYR 89 HD1 TYR 89 8.024 -8.098 -12.973 492 HD2 TYR 89 HD2 TYR 89 11.446 -7.120 -15.346 493 HE1 TYR 89 HE1 TYR 89 7.275 -9.662 -14.713 494 HE2 TYR 89 HE2 TYR 89 10.679 -8.680 -17.074 495 HH TYR 89 HH TYR 89 7.606 -10.401 -16.771 496 H LYS 90 HN LYS 90 13.180 -6.292 -11.164 497 HA LYS 90 HA LYS 90 12.391 -4.327 -9.127 498 HB2 LYS 90 HB2 LYS 90 15.119 -5.334 -10.059 499 HB3 LYS 90 HB1 LYS 90 14.930 -4.000 -8.924 500 HG2 LYS 90 HG2 LYS 90 14.035 -6.870 -8.490 501 HG3 LYS 90 HG1 LYS 90 15.426 -6.083 -7.734 502 HD2 LYS 90 HD2 LYS 90 13.828 -4.453 -6.657 503 HD3 LYS 90 HD1 LYS 90 12.486 -5.379 -7.330 504 HE2 LYS 90 HE2 LYS 90 12.750 -6.041 -5.040 505 HE3 LYS 90 HE1 LYS 90 13.332 -7.377 -6.030 506 HZ1 LYS 90 HZ1 LYS 90 15.603 -6.547 -5.654 507 HZ2 LYS 90 HZ2 LYS 90 14.823 -6.992 -4.224 508 HZ3 LYS 90 HZ3 LYS 90 14.984 -5.361 -4.618 509 H ALA 91 HN ALA 91 13.159 -2.111 -9.309 510 HA ALA 91 HA ALA 91 13.178 -1.096 -12.086 511 HB1 ALA 91 HB1 ALA 91 11.503 -0.113 -10.581 512 HB2 ALA 91 HB2 ALA 91 12.684 1.105 -11.066 513 HB3 ALA 91 HB3 ALA 91 12.762 0.384 -9.456 Start of MODEL 4 1 H HIS 21 HT1 HIS 21 3.560 0.314 -0.694 2 HA HIS 21 HA HIS 21 1.595 -0.956 -0.137 3 HB2 HIS 21 HB2 HIS 21 1.443 1.364 -1.124 4 HB3 HIS 21 HB1 HIS 21 1.265 0.645 -2.719 5 HD1 HIS 21 HD1 HIS 21 -0.608 1.514 0.343 6 HD2 HIS 21 HD2 HIS 21 -1.275 -0.681 -3.121 7 HE1 HIS 21 HE1 HIS 21 -3.086 1.137 0.252 8 HE2 HIS 21 HE2 HIS 21 -3.467 -0.193 -1.851 9 H ALA 22 HN ALA 22 1.990 -1.026 -3.688 10 HA ALA 22 HA ALA 22 1.809 -3.883 -3.916 11 HB1 ALA 22 HB1 ALA 22 -0.274 -3.940 -5.267 12 HB2 ALA 22 HB2 ALA 22 -0.534 -2.223 -4.945 13 HB3 ALA 22 HB3 ALA 22 -0.594 -3.387 -3.621 14 H ALA 23 HN ALA 23 2.900 -4.453 -5.738 15 HA ALA 23 HA ALA 23 4.280 -2.498 -7.284 16 HB1 ALA 23 HB1 ALA 23 4.113 -5.508 -7.696 17 HB2 ALA 23 HB2 ALA 23 5.291 -4.661 -6.693 18 HB3 ALA 23 HB3 ALA 23 5.294 -4.423 -8.440 19 H THR 24 HN THR 24 4.163 -2.074 -9.511 20 HA THR 24 HA THR 24 1.539 -1.987 -10.677 21 HB THR 24 HB THR 24 4.247 -1.283 -11.916 22 HG1 THR 24 HG1 THR 24 4.125 0.515 -10.832 23 HG21 THR 24 HG21 THR 24 1.439 -0.422 -12.746 24 HG22 THR 24 HG22 THR 24 2.511 -1.492 -13.658 25 HG23 THR 24 HG23 THR 24 2.939 0.204 -13.427 26 H GLU 25 HN GLU 25 0.706 -3.231 -12.380 27 HA GLU 25 HA GLU 25 1.955 -5.705 -13.119 28 HB2 GLU 25 HB2 GLU 25 -0.489 -5.514 -13.103 29 HB3 GLU 25 HB1 GLU 25 -0.438 -4.267 -14.348 30 HG2 GLU 25 HG2 GLU 25 0.375 -5.851 -15.997 31 HG3 GLU 25 HG1 GLU 25 0.576 -7.101 -14.769 32 H LEU 26 HN LEU 26 3.568 -5.897 -14.510 33 HA LEU 26 HA LEU 26 4.339 -3.748 -16.300 34 HB2 LEU 26 HB2 LEU 26 5.942 -5.186 -14.847 35 HB3 LEU 26 HB1 LEU 26 5.690 -6.458 -16.032 36 HG LEU 26 HG LEU 26 6.596 -4.924 -17.816 37 HD11 LEU 26 HD11 LEU 26 7.238 -3.062 -15.494 38 HD12 LEU 26 HD12 LEU 26 6.083 -2.749 -16.795 39 HD13 LEU 26 HD13 LEU 26 7.801 -2.876 -17.157 40 HD21 LEU 26 HD21 LEU 26 8.062 -6.581 -16.738 41 HD22 LEU 26 HD22 LEU 26 8.478 -5.412 -15.481 42 HD23 LEU 26 HD23 LEU 26 8.952 -5.117 -17.155 43 H THR 27 HN THR 27 3.621 -3.668 -18.343 44 HA THR 27 HA THR 27 1.806 -5.550 -19.420 45 HB THR 27 HB THR 27 2.060 -4.100 -21.552 46 HG1 THR 27 HG1 THR 27 3.441 -2.278 -19.893 47 HG21 THR 27 HG21 THR 27 1.351 -2.670 -18.964 48 HG22 THR 27 HG22 THR 27 0.256 -3.683 -19.914 49 HG23 THR 27 HG23 THR 27 0.874 -2.175 -20.588 50 HA PRO 28 HA PRO 28 4.109 -8.901 -21.150 51 HB2 PRO 28 HB2 PRO 28 2.723 -8.117 -23.733 52 HB3 PRO 28 HB1 PRO 28 2.967 -9.733 -23.050 53 HG2 PRO 28 HG2 PRO 28 0.627 -8.474 -22.769 54 HG3 PRO 28 HG1 PRO 28 1.297 -9.436 -21.433 55 HD2 PRO 28 HD2 PRO 28 1.084 -6.472 -21.699 56 HD3 PRO 28 HD1 PRO 28 1.177 -7.466 -20.234 57 H GLU 29 HN GLU 29 4.138 -6.002 -23.229 58 HA GLU 29 HA GLU 29 6.402 -6.813 -24.798 59 HB2 GLU 29 HB2 GLU 29 5.373 -3.959 -24.567 60 HB3 GLU 29 HB1 GLU 29 6.219 -4.704 -25.919 61 HG2 GLU 29 HG2 GLU 29 3.357 -5.178 -25.039 62 HG3 GLU 29 HG1 GLU 29 3.910 -4.402 -26.519 63 H GLN 30 HN GLN 30 5.914 -4.633 -22.030 64 HA GLN 30 HA GLN 30 8.624 -3.742 -21.780 65 HB2 GLN 30 HB2 GLN 30 6.467 -3.833 -19.630 66 HB3 GLN 30 HB1 GLN 30 7.971 -2.918 -19.545 67 HG2 GLN 30 HG2 GLN 30 5.647 -2.433 -21.421 68 HG3 GLN 30 HG1 GLN 30 6.117 -1.446 -20.042 69 HE21 GLN 30 HE21 GLN 30 8.003 -0.155 -20.209 70 HE22 GLN 30 HE22 GLN 30 8.660 0.273 -21.749 71 H ALA 31 HN ALA 31 6.738 -6.375 -20.395 72 HA ALA 31 HA ALA 31 8.619 -7.431 -18.562 73 HB1 ALA 31 HB1 ALA 31 6.214 -7.955 -18.461 74 HB2 ALA 31 HB2 ALA 31 7.172 -9.432 -18.564 75 HB3 ALA 31 HB3 ALA 31 6.330 -8.825 -19.993 76 H ALA 32 HN ALA 32 8.137 -7.845 -22.005 77 HA ALA 32 HA ALA 32 9.993 -10.015 -22.384 78 HB1 ALA 32 HB1 ALA 32 8.122 -9.631 -23.944 79 HB2 ALA 32 HB2 ALA 32 9.669 -9.568 -24.789 80 HB3 ALA 32 HB3 ALA 32 8.810 -8.072 -24.403 81 H ALA 33 HN ALA 33 10.190 -6.521 -22.263 82 HA ALA 33 HA ALA 33 12.870 -6.397 -23.455 83 HB1 ALA 33 HB1 ALA 33 12.578 -3.962 -23.373 84 HB2 ALA 33 HB2 ALA 33 11.068 -4.150 -22.475 85 HB3 ALA 33 HB3 ALA 33 11.186 -4.733 -24.135 86 H LEU 34 HN LEU 34 11.490 -6.630 -20.320 87 HA LEU 34 HA LEU 34 13.976 -5.655 -19.006 88 HB2 LEU 34 HB2 LEU 34 11.129 -5.773 -17.919 89 HB3 LEU 34 HB1 LEU 34 12.534 -5.335 -16.957 90 HG LEU 34 HG LEU 34 11.466 -3.763 -19.344 91 HD11 LEU 34 HD11 LEU 34 10.839 -2.037 -17.705 92 HD12 LEU 34 HD12 LEU 34 11.341 -3.096 -16.385 93 HD13 LEU 34 HD13 LEU 34 9.985 -3.550 -17.419 94 HD21 LEU 34 HD21 LEU 34 13.789 -3.091 -17.496 95 HD22 LEU 34 HD22 LEU 34 13.118 -2.029 -18.737 96 HD23 LEU 34 HD23 LEU 34 13.899 -3.537 -19.203 97 H LYS 35 HN LYS 35 14.927 -6.932 -17.465 98 HA LYS 35 HA LYS 35 14.278 -9.788 -17.542 99 HB2 LYS 35 HB2 LYS 35 16.612 -9.145 -18.009 100 HB3 LYS 35 HB1 LYS 35 16.712 -8.296 -16.467 101 HG2 LYS 35 HG2 LYS 35 16.406 -10.459 -15.275 102 HG3 LYS 35 HG1 LYS 35 16.351 -11.291 -16.831 103 HD2 LYS 35 HD2 LYS 35 18.669 -10.648 -17.299 104 HD3 LYS 35 HD1 LYS 35 18.728 -9.681 -15.819 105 HE2 LYS 35 HE2 LYS 35 18.372 -12.699 -15.954 106 HE3 LYS 35 HE1 LYS 35 19.857 -11.851 -15.515 107 HZ1 LYS 35 HZ1 LYS 35 18.656 -12.604 -13.565 108 HZ2 LYS 35 HZ2 LYS 35 17.287 -11.723 -14.020 109 HZ3 LYS 35 HZ3 LYS 35 18.711 -10.913 -13.597 110 HA PRO 36 HA PRO 36 12.789 -9.490 -13.209 111 HB2 PRO 36 HB2 PRO 36 12.083 -12.079 -12.839 112 HB3 PRO 36 HB1 PRO 36 11.119 -10.993 -13.855 113 HG2 PRO 36 HG2 PRO 36 13.162 -13.052 -14.688 114 HG3 PRO 36 HG1 PRO 36 11.555 -12.730 -15.377 115 HD2 PRO 36 HD2 PRO 36 13.902 -11.755 -16.461 116 HD3 PRO 36 HD1 PRO 36 12.328 -10.952 -16.654 117 H TYR 37 HN TYR 37 13.627 -10.108 -11.186 118 HA TYR 37 HA TYR 37 16.355 -11.242 -11.222 119 HB2 TYR 37 HB2 TYR 37 16.781 -10.108 -9.159 120 HB3 TYR 37 HB1 TYR 37 15.991 -8.948 -10.213 121 HD1 TYR 37 HD1 TYR 37 13.277 -8.894 -9.879 122 HD2 TYR 37 HD2 TYR 37 16.086 -10.138 -6.902 123 HE1 TYR 37 HE1 TYR 37 11.648 -8.384 -8.118 124 HE2 TYR 37 HE2 TYR 37 14.440 -9.631 -5.146 125 HH TYR 37 HH TYR 37 12.470 -8.191 -4.840 126 H ASP 38 HN ASP 38 13.150 -11.712 -9.927 127 HA ASP 38 HA ASP 38 13.824 -14.406 -8.991 128 HB2 ASP 38 HB2 ASP 38 13.991 -12.691 -7.023 129 HB3 ASP 38 HB1 ASP 38 12.250 -12.495 -7.183 130 H ARG 39 HN ARG 39 11.618 -15.446 -8.281 131 HA ARG 39 HA ARG 39 9.363 -14.613 -9.973 132 HB2 ARG 39 HB2 ARG 39 10.739 -16.264 -11.242 133 HB3 ARG 39 HB1 ARG 39 10.631 -17.393 -9.894 134 HG2 ARG 39 HG2 ARG 39 8.153 -17.490 -10.236 135 HG3 ARG 39 HG1 ARG 39 8.346 -16.459 -11.661 136 HD2 ARG 39 HD2 ARG 39 9.570 -19.211 -11.256 137 HD3 ARG 39 HD1 ARG 39 8.194 -18.838 -12.295 138 HE ARG 39 HE ARG 39 10.816 -17.568 -12.805 139 HH11 ARG 39 HH11 ARG 39 8.229 -19.649 -13.947 140 HH12 ARG 39 HH12 ARG 39 8.909 -19.821 -15.528 141 HH21 ARG 39 HH21 ARG 39 11.689 -17.821 -14.864 142 HH22 ARG 39 HH22 ARG 39 10.859 -18.781 -16.047 143 H ILE 40 HN ILE 40 7.558 -14.634 -8.722 144 HA ILE 40 HA ILE 40 7.457 -16.319 -6.289 145 HB ILE 40 HB ILE 40 5.590 -14.893 -5.512 146 HG12 ILE 40 HG12 ILE 40 6.031 -13.244 -8.060 147 HG13 ILE 40 HG11 ILE 40 4.615 -14.232 -7.718 148 HG21 ILE 40 HG21 ILE 40 7.885 -14.273 -4.884 149 HG22 ILE 40 HG22 ILE 40 6.885 -12.833 -5.047 150 HG23 ILE 40 HG23 ILE 40 8.033 -13.257 -6.320 151 HD11 ILE 40 HD11 ILE 40 4.010 -12.760 -5.876 152 HD12 ILE 40 HD12 ILE 40 4.209 -11.857 -7.377 153 HD13 ILE 40 HD13 ILE 40 5.468 -11.799 -6.149 154 H VAL 41 HN VAL 41 5.637 -17.593 -5.848 155 HA VAL 41 HA VAL 41 3.562 -17.918 -7.890 156 HB VAL 41 HB VAL 41 5.185 -19.692 -8.480 157 HG11 VAL 41 HG11 VAL 41 4.875 -20.737 -5.639 158 HG12 VAL 41 HG12 VAL 41 6.318 -19.971 -6.304 159 HG13 VAL 41 HG13 VAL 41 5.778 -21.528 -6.934 160 HG21 VAL 41 HG21 VAL 41 2.700 -20.853 -7.145 161 HG22 VAL 41 HG22 VAL 41 3.669 -21.662 -8.380 162 HG23 VAL 41 HG23 VAL 41 2.783 -20.190 -8.778 163 H ILE 42 HN ILE 42 1.620 -18.123 -7.001 164 HA ILE 42 HA ILE 42 1.319 -18.692 -4.098 165 HB ILE 42 HB ILE 42 -0.771 -17.337 -4.169 166 HG12 ILE 42 HG12 ILE 42 0.036 -16.553 -7.023 167 HG13 ILE 42 HG11 ILE 42 -1.276 -17.658 -6.636 168 HG21 ILE 42 HG21 ILE 42 0.273 -15.091 -4.292 169 HG22 ILE 42 HG22 ILE 42 1.666 -15.777 -5.130 170 HG23 ILE 42 HG23 ILE 42 1.325 -16.241 -3.463 171 HD11 ILE 42 HD11 ILE 42 -2.455 -15.840 -5.493 172 HD12 ILE 42 HD12 ILE 42 -2.112 -15.467 -7.181 173 HD13 ILE 42 HD13 ILE 42 -1.136 -14.739 -5.906 174 H THR 43 HN THR 43 -0.554 -19.927 -3.518 175 HA THR 43 HA THR 43 -2.099 -21.243 -5.665 176 HB THR 43 HB THR 43 -1.027 -22.701 -3.189 177 HG1 THR 43 HG1 THR 43 0.608 -22.304 -4.730 178 HG21 THR 43 HG21 THR 43 -1.882 -24.746 -4.272 179 HG22 THR 43 HG22 THR 43 -2.532 -23.782 -5.598 180 HG23 THR 43 HG23 THR 43 -3.196 -23.604 -3.972 181 H GLY 44 HN GLY 44 -4.276 -21.422 -5.181 182 HA2 GLY 44 HA2 GLY 44 -5.275 -20.725 -2.496 183 HA3 GLY 44 HA1 GLY 44 -5.776 -19.737 -3.867 184 H ARG 45 HN ARG 45 -7.244 -21.663 -2.003 185 HA ARG 45 HA ARG 45 -8.113 -23.884 -3.535 186 HB2 ARG 45 HB2 ARG 45 -8.297 -23.902 -1.086 187 HB3 ARG 45 HB1 ARG 45 -9.426 -22.548 -1.136 188 HG2 ARG 45 HG2 ARG 45 -11.039 -23.969 -2.395 189 HG3 ARG 45 HG1 ARG 45 -9.922 -25.328 -2.270 190 HD2 ARG 45 HD2 ARG 45 -10.213 -25.438 0.123 191 HD3 ARG 45 HD1 ARG 45 -11.102 -23.912 0.144 192 HE ARG 45 HE ARG 45 -12.962 -24.968 -0.839 193 HH11 ARG 45 HH11 ARG 45 -10.473 -27.301 -0.022 194 HH12 ARG 45 HH12 ARG 45 -11.516 -28.668 -0.251 195 HH21 ARG 45 HH21 ARG 45 -14.310 -26.751 -1.122 196 HH22 ARG 45 HH22 ARG 45 -13.683 -28.353 -0.883 197 H PHE 46 HN PHE 46 -9.463 -20.650 -2.991 198 HA PHE 46 HA PHE 46 -10.533 -20.540 -5.635 199 HB2 PHE 46 HB2 PHE 46 -12.381 -21.828 -4.539 200 HB3 PHE 46 HB1 PHE 46 -12.585 -20.545 -3.351 201 HD1 PHE 46 HD2 PHE 46 -12.854 -21.340 -6.990 202 HD2 PHE 46 HD1 PHE 46 -13.919 -18.602 -3.877 203 HE1 PHE 46 HE2 PHE 46 -14.396 -20.190 -8.519 204 HE2 PHE 46 HE1 PHE 46 -15.450 -17.455 -5.416 205 HZ PHE 46 HZ PHE 46 -15.693 -18.245 -7.738 206 H ASN 47 HN ASN 47 -10.622 -18.485 -6.286 207 HA ASN 47 HA ASN 47 -11.216 -16.267 -4.580 208 HB2 ASN 47 HB2 ASN 47 -9.017 -15.048 -5.132 209 HB3 ASN 47 HB1 ASN 47 -8.893 -16.334 -3.940 210 HD21 ASN 47 HD21 ASN 47 -7.857 -18.310 -4.578 211 HD22 ASN 47 HD22 ASN 47 -6.762 -18.353 -5.914 212 H ALA 48 HN ALA 48 -9.377 -15.143 -7.180 213 HA ALA 48 HA ALA 48 -11.013 -15.836 -9.403 214 HB1 ALA 48 HB1 ALA 48 -11.806 -13.542 -9.944 215 HB2 ALA 48 HB2 ALA 48 -11.165 -12.952 -8.405 216 HB3 ALA 48 HB3 ALA 48 -12.491 -14.113 -8.422 217 H ILE 49 HN ILE 49 -10.153 -14.558 -11.409 218 HA ILE 49 HA ILE 49 -7.329 -14.761 -11.467 219 HB ILE 49 HB ILE 49 -8.690 -15.128 -13.496 220 HG12 ILE 49 HG12 ILE 49 -7.242 -13.878 -15.136 221 HG13 ILE 49 HG11 ILE 49 -6.644 -12.875 -13.819 222 HG21 ILE 49 HG21 ILE 49 -9.627 -13.248 -14.798 223 HG22 ILE 49 HG22 ILE 49 -9.195 -12.133 -13.500 224 HG23 ILE 49 HG23 ILE 49 -10.394 -13.394 -13.214 225 HD11 ILE 49 HD11 ILE 49 -5.050 -14.593 -14.430 226 HD12 ILE 49 HD12 ILE 49 -6.236 -15.855 -14.105 227 HD13 ILE 49 HD13 ILE 49 -5.625 -14.855 -12.784 228 H GLY 50 HN GLY 50 -9.508 -12.006 -11.122 229 HA2 GLY 50 HA2 GLY 50 -7.592 -9.906 -11.142 230 HA3 GLY 50 HA1 GLY 50 -9.205 -9.839 -10.449 231 H ASP 51 HN ASP 51 -9.058 -11.788 -8.490 232 HA ASP 51 HA ASP 51 -7.753 -10.513 -6.314 233 HB2 ASP 51 HB2 ASP 51 -9.003 -13.273 -6.599 234 HB3 ASP 51 HB1 ASP 51 -8.265 -12.758 -5.086 235 H ALA 52 HN ALA 52 -6.799 -13.124 -8.438 236 HA ALA 52 HA ALA 52 -4.576 -14.096 -6.914 237 HB1 ALA 52 HB1 ALA 52 -5.771 -15.517 -8.545 238 HB2 ALA 52 HB2 ALA 52 -4.046 -15.425 -8.893 239 HB3 ALA 52 HB3 ALA 52 -5.190 -14.494 -9.864 240 H VAL 53 HN VAL 53 -4.909 -12.015 -9.784 241 HA VAL 53 HA VAL 53 -2.187 -11.301 -10.090 242 HB VAL 53 HB VAL 53 -4.747 -9.887 -10.980 243 HG11 VAL 53 HG11 VAL 53 -1.891 -9.200 -11.790 244 HG12 VAL 53 HG12 VAL 53 -2.970 -8.185 -10.834 245 HG13 VAL 53 HG13 VAL 53 -3.351 -8.524 -12.522 246 HG21 VAL 53 HG21 VAL 53 -4.350 -12.090 -12.031 247 HG22 VAL 53 HG22 VAL 53 -2.742 -11.576 -12.542 248 HG23 VAL 53 HG23 VAL 53 -4.173 -10.796 -13.218 249 H SER 54 HN SER 54 -4.772 -10.013 -8.071 250 HA SER 54 HA SER 54 -3.423 -7.646 -7.164 251 HB2 SER 54 HB2 SER 54 -5.899 -7.872 -7.128 252 HB3 SER 54 HB1 SER 54 -5.764 -9.144 -5.912 253 HG SER 54 HG SER 54 -4.828 -7.589 -4.507 254 H ALA 55 HN ALA 55 -3.700 -10.973 -6.002 255 HA ALA 55 HA ALA 55 -2.385 -10.639 -3.492 256 HB1 ALA 55 HB1 ALA 55 -3.808 -12.587 -3.951 257 HB2 ALA 55 HB2 ALA 55 -2.180 -13.104 -3.506 258 HB3 ALA 55 HB3 ALA 55 -2.686 -13.138 -5.198 259 H VAL 56 HN VAL 56 -1.312 -11.620 -6.715 260 HA VAL 56 HA VAL 56 1.455 -11.916 -6.226 261 HB VAL 56 HB VAL 56 -0.081 -11.287 -8.792 262 HG11 VAL 56 HG11 VAL 56 2.233 -10.433 -9.025 263 HG12 VAL 56 HG12 VAL 56 1.942 -11.814 -10.077 264 HG13 VAL 56 HG13 VAL 56 2.863 -12.022 -8.587 265 HG21 VAL 56 HG21 VAL 56 0.391 -13.654 -9.366 266 HG22 VAL 56 HG22 VAL 56 -0.519 -13.525 -7.860 267 HG23 VAL 56 HG23 VAL 56 1.211 -13.868 -7.815 268 H SER 57 HN SER 57 -0.539 -9.116 -7.041 269 HA SER 57 HA SER 57 1.450 -7.242 -7.717 270 HB2 SER 57 HB2 SER 57 -0.945 -6.890 -8.210 271 HB3 SER 57 HB1 SER 57 -1.310 -6.804 -6.491 272 HG SER 57 HG SER 57 0.171 -4.966 -8.055 273 H ARG 58 HN ARG 58 -0.237 -7.814 -4.635 274 HA ARG 58 HA ARG 58 1.233 -5.895 -3.131 275 HB2 ARG 58 HB2 ARG 58 -1.160 -7.163 -2.749 276 HB3 ARG 58 HB1 ARG 58 -0.161 -8.153 -1.698 277 HG2 ARG 58 HG2 ARG 58 -0.433 -5.129 -1.493 278 HG3 ARG 58 HG1 ARG 58 -1.345 -6.286 -0.520 279 HD2 ARG 58 HD2 ARG 58 0.692 -7.064 0.549 280 HD3 ARG 58 HD1 ARG 58 1.687 -6.072 -0.523 281 HE ARG 58 HE ARG 58 0.267 -4.156 0.562 282 HH11 ARG 58 HH11 ARG 58 1.623 -6.927 2.230 283 HH12 ARG 58 HH12 ARG 58 1.827 -6.071 3.717 284 HH21 ARG 58 HH21 ARG 58 0.553 -3.057 2.536 285 HH22 ARG 58 HH22 ARG 58 1.223 -3.893 3.898 286 H ARG 59 HN ARG 59 1.546 -9.376 -3.692 287 HA ARG 59 HA ARG 59 3.529 -9.925 -1.731 288 HB2 ARG 59 HB2 ARG 59 2.124 -11.697 -2.782 289 HB3 ARG 59 HB1 ARG 59 2.955 -11.448 -4.309 290 HG2 ARG 59 HG2 ARG 59 3.837 -13.435 -3.208 291 HG3 ARG 59 HG1 ARG 59 5.085 -12.190 -3.263 292 HD2 ARG 59 HD2 ARG 59 4.505 -11.587 -0.885 293 HD3 ARG 59 HD1 ARG 59 3.391 -12.966 -0.863 294 HE ARG 59 HE ARG 59 6.193 -13.463 -1.571 295 HH11 ARG 59 HH11 ARG 59 3.723 -13.686 0.919 296 HH12 ARG 59 HH12 ARG 59 4.634 -14.815 1.866 297 HH21 ARG 59 HH21 ARG 59 7.329 -14.956 -0.332 298 HH22 ARG 59 HH22 ARG 59 6.662 -15.540 1.157 299 H ALA 60 HN ALA 60 3.714 -8.928 -5.113 300 HA ALA 60 HA ALA 60 6.498 -9.238 -5.534 301 HB1 ALA 60 HB1 ALA 60 4.913 -8.983 -7.397 302 HB2 ALA 60 HB2 ALA 60 6.176 -7.752 -7.480 303 HB3 ALA 60 HB3 ALA 60 4.566 -7.327 -6.892 304 H ASP 61 HN ASP 61 4.510 -6.641 -4.266 305 HA ASP 61 HA ASP 61 6.549 -4.669 -3.954 306 HB2 ASP 61 HB2 ASP 61 4.018 -4.291 -4.032 307 HB3 ASP 61 HB1 ASP 61 3.946 -4.901 -2.385 308 H GLU 62 HN GLU 62 5.250 -7.260 -1.882 309 HA GLU 62 HA GLU 62 6.637 -6.706 0.529 310 HB2 GLU 62 HB2 GLU 62 5.676 -9.364 -0.614 311 HB3 GLU 62 HB1 GLU 62 6.283 -9.167 1.025 312 HG2 GLU 62 HG2 GLU 62 3.847 -7.742 -0.077 313 HG3 GLU 62 HG1 GLU 62 3.789 -9.261 0.813 314 H GLU 63 HN GLU 63 7.568 -8.444 -2.410 315 HA GLU 63 HA GLU 63 10.092 -9.405 -1.479 316 HB2 GLU 63 HB2 GLU 63 9.276 -8.856 -4.368 317 HB3 GLU 63 HB1 GLU 63 10.603 -9.886 -3.832 318 HG2 GLU 63 HG2 GLU 63 7.630 -10.393 -3.641 319 HG3 GLU 63 HG1 GLU 63 8.848 -11.339 -4.492 320 H GLY 64 HN GLY 64 8.955 -6.378 -2.740 321 HA2 GLY 64 HA2 GLY 64 10.093 -4.306 -2.492 322 HA3 GLY 64 HA1 GLY 64 11.639 -5.143 -2.549 323 H ALA 65 HN ALA 65 9.648 -6.448 -4.879 324 HA ALA 65 HA ALA 65 11.034 -5.305 -7.103 325 HB1 ALA 65 HB1 ALA 65 10.211 -7.634 -7.106 326 HB2 ALA 65 HB2 ALA 65 9.561 -6.721 -8.467 327 HB3 ALA 65 HB3 ALA 65 8.543 -7.056 -7.061 328 H ALA 66 HN ALA 66 10.334 -3.837 -8.592 329 HA ALA 66 HA ALA 66 8.408 -1.849 -7.823 330 HB1 ALA 66 HB1 ALA 66 10.479 -1.260 -9.020 331 HB2 ALA 66 HB2 ALA 66 9.064 -0.743 -9.933 332 HB3 ALA 66 HB3 ALA 66 9.953 -2.192 -10.423 333 H SER 67 HN SER 67 8.507 -4.550 -10.062 334 HA SER 67 HA SER 67 5.676 -4.222 -10.771 335 HB2 SER 67 HB2 SER 67 7.933 -4.475 -12.824 336 HB3 SER 67 HB1 SER 67 6.208 -4.520 -13.191 337 HG SER 67 HG SER 67 6.462 -2.337 -11.856 338 H PHE 68 HN PHE 68 4.970 -6.137 -12.118 339 HA PHE 68 HA PHE 68 6.440 -8.648 -11.732 340 HB2 PHE 68 HB2 PHE 68 4.541 -9.799 -10.708 341 HB3 PHE 68 HB1 PHE 68 4.925 -8.396 -9.724 342 HD1 PHE 68 HD2 PHE 68 3.389 -6.397 -9.741 343 HD2 PHE 68 HD1 PHE 68 2.389 -9.991 -11.841 344 HE1 PHE 68 HE2 PHE 68 1.050 -5.666 -9.916 345 HE2 PHE 68 HE1 PHE 68 0.058 -9.242 -12.011 346 HZ PHE 68 HZ PHE 68 -0.616 -7.079 -11.049 347 H TYR 69 HN TYR 69 5.200 -10.462 -12.935 348 HA TYR 69 HA TYR 69 3.083 -9.696 -14.708 349 HB2 TYR 69 HB2 TYR 69 5.001 -8.954 -16.100 350 HB3 TYR 69 HB1 TYR 69 5.727 -10.555 -15.989 351 HD1 TYR 69 HD1 TYR 69 2.481 -8.948 -17.023 352 HD2 TYR 69 HD2 TYR 69 5.316 -12.048 -17.801 353 HE1 TYR 69 HE1 TYR 69 1.175 -9.662 -18.973 354 HE2 TYR 69 HE2 TYR 69 4.007 -12.756 -19.760 355 HH TYR 69 HH TYR 69 1.608 -12.599 -20.511 356 H VAL 70 HN VAL 70 1.721 -11.315 -14.543 357 HA VAL 70 HA VAL 70 2.289 -13.948 -13.706 358 HB VAL 70 HB VAL 70 -0.155 -12.842 -15.169 359 HG11 VAL 70 HG11 VAL 70 0.138 -15.494 -13.700 360 HG12 VAL 70 HG12 VAL 70 -0.083 -15.280 -15.438 361 HG13 VAL 70 HG13 VAL 70 -1.376 -14.836 -14.325 362 HG21 VAL 70 HG21 VAL 70 0.257 -11.720 -13.005 363 HG22 VAL 70 HG22 VAL 70 0.297 -13.282 -12.183 364 HG23 VAL 70 HG23 VAL 70 -1.199 -12.716 -12.928 365 H VAL 71 HN VAL 71 3.372 -15.414 -14.841 366 HA VAL 71 HA VAL 71 3.459 -15.296 -17.792 367 HB VAL 71 HB VAL 71 5.514 -16.643 -17.634 368 HG11 VAL 71 HG11 VAL 71 5.748 -14.189 -17.601 369 HG12 VAL 71 HG12 VAL 71 7.009 -14.950 -16.634 370 HG13 VAL 71 HG13 VAL 71 5.637 -14.183 -15.835 371 HG21 VAL 71 HG21 VAL 71 6.586 -17.144 -15.448 372 HG22 VAL 71 HG22 VAL 71 5.029 -17.959 -15.605 373 HG23 VAL 71 HG23 VAL 71 5.170 -16.512 -14.604 374 H ASP 72 HN ASP 72 2.216 -17.196 -15.176 375 HA ASP 72 HA ASP 72 1.162 -19.219 -16.980 376 HB2 ASP 72 HB2 ASP 72 3.342 -20.213 -16.513 377 HB3 ASP 72 HB1 ASP 72 3.172 -19.920 -14.793 378 H THR 73 HN THR 73 -0.643 -20.173 -16.227 379 HA THR 73 HA THR 73 -1.418 -20.043 -13.383 380 HB THR 73 HB THR 73 -3.839 -19.679 -14.155 381 HG1 THR 73 HG1 THR 73 -2.848 -19.968 -16.535 382 HG21 THR 73 HG21 THR 73 -1.973 -17.351 -14.751 383 HG22 THR 73 HG22 THR 73 -2.568 -17.791 -13.151 384 HG23 THR 73 HG23 THR 73 -3.698 -17.234 -14.385 385 H SER 74 HN SER 74 -1.441 -22.160 -12.824 386 HA SER 74 HA SER 74 -2.576 -24.183 -14.689 387 HB2 SER 74 HB2 SER 74 -0.430 -24.627 -12.561 388 HB3 SER 74 HB1 SER 74 -1.068 -25.844 -13.664 389 HG SER 74 HG SER 74 0.109 -23.486 -14.678 390 H GLU 75 HN GLU 75 -4.222 -25.436 -13.896 391 HA GLU 75 HA GLU 75 -5.092 -25.002 -11.089 392 HB2 GLU 75 HB2 GLU 75 -7.360 -25.562 -11.844 393 HB3 GLU 75 HB1 GLU 75 -6.707 -24.217 -12.777 394 HG2 GLU 75 HG2 GLU 75 -6.203 -25.767 -14.649 395 HG3 GLU 75 HG1 GLU 75 -6.868 -27.106 -13.714 396 H PHE 76 HN PHE 76 -6.323 -26.871 -10.161 397 HA PHE 76 HA PHE 76 -4.855 -29.331 -10.247 398 HB2 PHE 76 HB2 PHE 76 -6.106 -28.357 -8.244 399 HB3 PHE 76 HB1 PHE 76 -7.608 -28.845 -9.013 400 HD1 PHE 76 HD1 PHE 76 -8.178 -31.288 -9.195 401 HD2 PHE 76 HD2 PHE 76 -4.649 -29.985 -7.159 402 HE1 PHE 76 HE1 PHE 76 -7.965 -33.500 -8.136 403 HE2 PHE 76 HE2 PHE 76 -4.450 -32.199 -6.108 404 HZ PHE 76 HZ PHE 76 -6.100 -33.956 -6.594 405 H GLY 77 HN GLY 77 -7.818 -28.131 -11.692 406 HA2 GLY 77 HA2 GLY 77 -8.552 -29.075 -13.825 407 HA3 GLY 77 HA1 GLY 77 -8.256 -30.678 -13.167 408 H ASN 78 HN ASN 78 -10.240 -27.768 -12.836 409 HA ASN 78 HA ASN 78 -12.416 -27.384 -12.409 410 HB2 ASN 78 HB2 ASN 78 -12.689 -30.374 -12.887 411 HB3 ASN 78 HB1 ASN 78 -14.078 -29.333 -12.589 412 HD21 ASN 78 HD21 ASN 78 -11.552 -30.177 -14.848 413 HD22 ASN 78 HD22 ASN 78 -12.220 -29.340 -16.206 414 H SER 79 HN SER 79 -10.482 -28.566 -10.198 415 HA SER 79 HA SER 79 -12.418 -29.357 -8.150 416 HB2 SER 79 HB2 SER 79 -10.257 -30.587 -8.434 417 HB3 SER 79 HB1 SER 79 -9.383 -29.125 -7.985 418 HG SER 79 HG SER 79 -10.455 -29.230 -5.950 419 H GLY 80 HN GLY 80 -11.574 -26.464 -9.370 420 HA2 GLY 80 HA2 GLY 80 -12.114 -24.355 -8.559 421 HA3 GLY 80 HA1 GLY 80 -12.191 -24.997 -6.926 422 H ASN 81 HN ASN 81 -9.703 -26.152 -6.601 423 HA ASN 81 HA ASN 81 -8.119 -23.854 -6.018 424 HB2 ASN 81 HB2 ASN 81 -6.569 -25.349 -4.926 425 HB3 ASN 81 HB1 ASN 81 -8.198 -25.887 -4.550 426 HD21 ASN 81 HD21 ASN 81 -5.202 -26.708 -6.012 427 HD22 ASN 81 HD22 ASN 81 -5.601 -28.336 -6.424 428 H TRP 82 HN TRP 82 -6.201 -23.218 -6.840 429 HA TRP 82 HA TRP 82 -4.978 -24.337 -9.204 430 HB2 TRP 82 HB2 TRP 82 -5.493 -22.442 -10.695 431 HB3 TRP 82 HB1 TRP 82 -6.987 -23.200 -10.173 432 HD1 TRP 82 HD1 TRP 82 -7.721 -21.696 -7.536 433 HE1 TRP 82 HE1 TRP 82 -8.243 -19.177 -7.554 434 HE3 TRP 82 HE3 TRP 82 -5.368 -20.396 -11.893 435 HZ2 TRP 82 HZ2 TRP 82 -7.752 -16.946 -9.193 436 HZ3 TRP 82 HZ3 TRP 82 -5.452 -18.047 -12.622 437 HH2 TRP 82 HH2 TRP 82 -6.620 -16.362 -11.297 438 H ARG 83 HN ARG 83 -3.389 -22.472 -10.055 439 HA ARG 83 HA ARG 83 -2.190 -20.988 -7.845 440 HB2 ARG 83 HB2 ARG 83 -0.036 -22.057 -7.975 441 HB3 ARG 83 HB1 ARG 83 -1.228 -23.322 -7.775 442 HG2 ARG 83 HG2 ARG 83 0.071 -24.323 -9.389 443 HG3 ARG 83 HG1 ARG 83 -1.041 -23.457 -10.447 444 HD2 ARG 83 HD2 ARG 83 0.632 -21.594 -10.599 445 HD3 ARG 83 HD1 ARG 83 1.750 -22.563 -9.635 446 HE ARG 83 HE ARG 83 0.897 -23.057 -12.404 447 HH11 ARG 83 HH11 ARG 83 2.976 -23.994 -9.730 448 HH12 ARG 83 HH12 ARG 83 3.970 -25.006 -10.719 449 HH21 ARG 83 HH21 ARG 83 2.189 -24.371 -13.669 450 HH22 ARG 83 HH22 ARG 83 3.531 -25.218 -12.964 451 H VAL 84 HN VAL 84 -0.587 -19.466 -8.560 452 HA VAL 84 HA VAL 84 -0.615 -18.783 -11.437 453 HB VAL 84 HB VAL 84 -0.998 -16.824 -9.118 454 HG11 VAL 84 HG11 VAL 84 0.407 -15.813 -10.861 455 HG12 VAL 84 HG12 VAL 84 -1.185 -15.055 -10.834 456 HG13 VAL 84 HG13 VAL 84 -0.789 -16.229 -12.090 457 HG21 VAL 84 HG21 VAL 84 -3.203 -16.342 -10.196 458 HG22 VAL 84 HG22 VAL 84 -3.082 -17.989 -9.590 459 HG23 VAL 84 HG23 VAL 84 -2.921 -17.674 -11.320 460 H VAL 85 HN VAL 85 1.426 -18.958 -12.086 461 HA VAL 85 HA VAL 85 3.718 -18.241 -10.397 462 HB VAL 85 HB VAL 85 3.680 -19.289 -13.272 463 HG11 VAL 85 HG11 VAL 85 5.760 -18.094 -12.771 464 HG12 VAL 85 HG12 VAL 85 6.074 -19.824 -12.899 465 HG13 VAL 85 HG13 VAL 85 5.992 -19.058 -11.310 466 HG21 VAL 85 HG21 VAL 85 2.721 -20.953 -11.747 467 HG22 VAL 85 HG22 VAL 85 4.133 -20.834 -10.694 468 HG23 VAL 85 HG23 VAL 85 4.300 -21.484 -12.327 469 H ALA 86 HN ALA 86 4.723 -16.315 -10.598 470 HA ALA 86 HA ALA 86 4.422 -14.628 -12.969 471 HB1 ALA 86 HB1 ALA 86 2.562 -13.976 -11.497 472 HB2 ALA 86 HB2 ALA 86 3.750 -12.681 -11.627 473 HB3 ALA 86 HB3 ALA 86 3.691 -13.681 -10.172 474 H ASP 87 HN ASP 87 6.395 -13.879 -13.485 475 HA ASP 87 HA ASP 87 8.615 -13.855 -11.624 476 HB2 ASP 87 HB2 ASP 87 8.306 -13.023 -14.535 477 HB3 ASP 87 HB1 ASP 87 9.811 -12.776 -13.649 478 H VAL 88 HN VAL 88 9.638 -12.037 -10.790 479 HA VAL 88 HA VAL 88 8.061 -9.520 -10.815 480 HB VAL 88 HB VAL 88 8.915 -9.135 -8.479 481 HG11 VAL 88 HG11 VAL 88 7.258 -11.658 -8.842 482 HG12 VAL 88 HG12 VAL 88 6.649 -10.001 -8.848 483 HG13 VAL 88 HG13 VAL 88 7.340 -10.679 -7.373 484 HG21 VAL 88 HG21 VAL 88 10.897 -10.626 -8.495 485 HG22 VAL 88 HG22 VAL 88 9.845 -12.038 -8.595 486 HG23 VAL 88 HG23 VAL 88 9.819 -11.018 -7.155 487 H TYR 89 HN TYR 89 9.144 -7.576 -10.896 488 HA TYR 89 HA TYR 89 11.891 -7.681 -12.018 489 HB2 TYR 89 HB2 TYR 89 9.555 -5.923 -12.948 490 HB3 TYR 89 HB1 TYR 89 11.162 -5.975 -13.661 491 HD1 TYR 89 HD1 TYR 89 8.072 -8.016 -13.126 492 HD2 TYR 89 HD2 TYR 89 11.643 -7.548 -15.427 493 HE1 TYR 89 HE1 TYR 89 7.288 -9.733 -14.694 494 HE2 TYR 89 HE2 TYR 89 10.849 -9.267 -16.991 495 HH TYR 89 HH TYR 89 9.308 -11.193 -16.975 496 H LYS 90 HN LYS 90 13.279 -6.080 -11.347 497 HA LYS 90 HA LYS 90 12.441 -4.177 -9.270 498 HB2 LYS 90 HB2 LYS 90 15.170 -4.896 -10.426 499 HB3 LYS 90 HB1 LYS 90 14.940 -3.690 -9.166 500 HG2 LYS 90 HG2 LYS 90 14.159 -6.609 -8.882 501 HG3 LYS 90 HG1 LYS 90 15.710 -5.951 -8.357 502 HD2 LYS 90 HD2 LYS 90 12.998 -5.017 -7.319 503 HD3 LYS 90 HD1 LYS 90 14.030 -6.199 -6.506 504 HE2 LYS 90 HE2 LYS 90 15.818 -4.477 -6.322 505 HE3 LYS 90 HE1 LYS 90 14.746 -3.305 -7.093 506 HZ1 LYS 90 HZ1 LYS 90 14.778 -3.127 -4.668 507 HZ2 LYS 90 HZ2 LYS 90 14.157 -4.696 -4.545 508 HZ3 LYS 90 HZ3 LYS 90 13.236 -3.479 -5.269 509 H ALA 91 HN ALA 91 13.196 -1.890 -9.430 510 HA ALA 91 HA ALA 91 13.010 -0.788 -12.161 511 HB1 ALA 91 HB1 ALA 91 12.667 1.383 -11.052 512 HB2 ALA 91 HB2 ALA 91 12.905 0.630 -9.473 513 HB3 ALA 91 HB3 ALA 91 11.514 0.184 -10.461 Start of MODEL 5 1 H HIS 21 HT1 HIS 21 0.041 1.182 -3.049 2 HA HIS 21 HA HIS 21 2.702 0.146 -3.758 3 HB2 HIS 21 HB2 HIS 21 1.063 -0.141 -1.228 4 HB3 HIS 21 HB1 HIS 21 2.162 -1.432 -1.704 5 HD1 HIS 21 HD1 HIS 21 4.655 -1.037 -1.464 6 HD2 HIS 21 HD2 HIS 21 2.382 2.303 -0.459 7 HE1 HIS 21 HE1 HIS 21 6.254 0.553 -0.364 8 HE2 HIS 21 HE2 HIS 21 4.903 2.638 0.035 9 H ALA 22 HN ALA 22 2.052 -2.533 -3.113 10 HA ALA 22 HA ALA 22 1.526 -4.402 -4.243 11 HB1 ALA 22 HB1 ALA 22 -0.799 -3.915 -3.637 12 HB2 ALA 22 HB2 ALA 22 -0.711 -4.683 -5.224 13 HB3 ALA 22 HB3 ALA 22 -0.997 -2.943 -5.093 14 H ALA 23 HN ALA 23 2.863 -4.871 -5.866 15 HA ALA 23 HA ALA 23 3.961 -3.017 -7.599 16 HB1 ALA 23 HB1 ALA 23 4.014 -6.040 -7.914 17 HB2 ALA 23 HB2 ALA 23 5.092 -5.090 -6.892 18 HB3 ALA 23 HB3 ALA 23 5.149 -4.894 -8.642 19 H THR 24 HN THR 24 3.716 -2.465 -9.706 20 HA THR 24 HA THR 24 1.158 -2.560 -10.915 21 HB THR 24 HB THR 24 3.856 -1.815 -12.156 22 HG1 THR 24 HG1 THR 24 3.530 -0.574 -10.319 23 HG21 THR 24 HG21 THR 24 2.077 -1.994 -13.871 24 HG22 THR 24 HG22 THR 24 2.570 -0.318 -13.636 25 HG23 THR 24 HG23 THR 24 1.056 -0.896 -12.937 26 H GLU 25 HN GLU 25 0.376 -3.798 -12.742 27 HA GLU 25 HA GLU 25 1.738 -6.235 -13.454 28 HB2 GLU 25 HB2 GLU 25 -0.733 -6.059 -13.674 29 HB3 GLU 25 HB1 GLU 25 -0.544 -4.828 -14.921 30 HG2 GLU 25 HG2 GLU 25 0.669 -6.522 -16.331 31 HG3 GLU 25 HG1 GLU 25 0.325 -7.735 -15.103 32 H LEU 26 HN LEU 26 3.383 -6.407 -14.861 33 HA LEU 26 HA LEU 26 4.364 -4.066 -16.235 34 HB2 LEU 26 HB2 LEU 26 5.819 -5.797 -14.969 35 HB3 LEU 26 HB1 LEU 26 5.587 -6.844 -16.359 36 HG LEU 26 HG LEU 26 6.613 -5.064 -17.823 37 HD11 LEU 26 HD11 LEU 26 7.833 -3.202 -16.815 38 HD12 LEU 26 HD12 LEU 26 7.283 -3.668 -15.207 39 HD13 LEU 26 HD13 LEU 26 6.121 -3.098 -16.408 40 HD21 LEU 26 HD21 LEU 26 8.382 -6.023 -15.558 41 HD22 LEU 26 HD22 LEU 26 8.935 -5.442 -17.131 42 HD23 LEU 26 HD23 LEU 26 7.986 -6.923 -17.024 43 H THR 27 HN THR 27 4.380 -3.735 -18.405 44 HA THR 27 HA THR 27 2.550 -5.175 -20.091 45 HB THR 27 HB THR 27 3.194 -3.520 -21.815 46 HG1 THR 27 HG1 THR 27 4.831 -1.943 -21.205 47 HG21 THR 27 HG21 THR 27 2.897 -2.203 -19.079 48 HG22 THR 27 HG22 THR 27 1.565 -2.760 -20.098 49 HG23 THR 27 HG23 THR 27 2.588 -1.429 -20.637 50 HA PRO 28 HA PRO 28 5.344 -8.218 -21.844 51 HB2 PRO 28 HB2 PRO 28 4.572 -8.306 -24.510 52 HB3 PRO 28 HB1 PRO 28 3.657 -9.056 -23.194 53 HG2 PRO 28 HG2 PRO 28 3.240 -6.361 -24.501 54 HG3 PRO 28 HG1 PRO 28 2.036 -7.614 -24.125 55 HD2 PRO 28 HD2 PRO 28 2.322 -5.489 -22.526 56 HD3 PRO 28 HD1 PRO 28 2.044 -7.104 -21.821 57 H GLU 29 HN GLU 29 5.155 -5.063 -23.355 58 HA GLU 29 HA GLU 29 7.468 -4.993 -24.934 59 HB2 GLU 29 HB2 GLU 29 5.691 -3.210 -24.838 60 HB3 GLU 29 HB1 GLU 29 6.267 -2.751 -23.244 61 HG2 GLU 29 HG2 GLU 29 7.124 -1.161 -24.802 62 HG3 GLU 29 HG1 GLU 29 8.479 -2.151 -24.261 63 H GLN 30 HN GLN 30 7.023 -4.008 -21.528 64 HA GLN 30 HA GLN 30 9.819 -3.529 -21.043 65 HB2 GLN 30 HB2 GLN 30 7.540 -3.710 -19.040 66 HB3 GLN 30 HB1 GLN 30 9.125 -3.005 -18.750 67 HG2 GLN 30 HG2 GLN 30 6.955 -1.932 -20.574 68 HG3 GLN 30 HG1 GLN 30 7.441 -1.268 -19.020 69 HE21 GLN 30 HE21 GLN 30 9.481 -0.212 -18.853 70 HE22 GLN 30 HE22 GLN 30 10.269 0.423 -20.255 71 H ALA 31 HN ALA 31 7.656 -6.227 -20.691 72 HA ALA 31 HA ALA 31 9.245 -7.743 -18.808 73 HB1 ALA 31 HB1 ALA 31 7.627 -9.551 -19.204 74 HB2 ALA 31 HB2 ALA 31 6.914 -8.634 -20.536 75 HB3 ALA 31 HB3 ALA 31 6.811 -8.019 -18.884 76 H ALA 32 HN ALA 32 9.107 -7.376 -22.275 77 HA ALA 32 HA ALA 32 10.829 -9.657 -22.851 78 HB1 ALA 32 HB1 ALA 32 9.934 -7.375 -24.653 79 HB2 ALA 32 HB2 ALA 32 9.141 -8.943 -24.508 80 HB3 ALA 32 HB3 ALA 32 10.769 -8.844 -25.181 81 H ALA 33 HN ALA 33 11.109 -6.221 -22.217 82 HA ALA 33 HA ALA 33 13.832 -5.879 -23.090 83 HB1 ALA 33 HB1 ALA 33 12.153 -4.158 -21.224 84 HB2 ALA 33 HB2 ALA 33 12.260 -3.986 -22.975 85 HB3 ALA 33 HB3 ALA 33 13.682 -3.685 -21.980 86 H LEU 34 HN LEU 34 12.346 -5.925 -19.853 87 HA LEU 34 HA LEU 34 14.879 -6.397 -18.518 88 HB2 LEU 34 HB2 LEU 34 12.047 -6.139 -17.429 89 HB3 LEU 34 HB1 LEU 34 13.484 -6.314 -16.426 90 HG LEU 34 HG LEU 34 12.842 -3.948 -18.234 91 HD11 LEU 34 HD11 LEU 34 12.830 -4.158 -15.199 92 HD12 LEU 34 HD12 LEU 34 11.418 -3.989 -16.249 93 HD13 LEU 34 HD13 LEU 34 12.588 -2.678 -16.134 94 HD21 LEU 34 HD21 LEU 34 15.261 -4.317 -18.154 95 HD22 LEU 34 HD22 LEU 34 15.227 -4.352 -16.388 96 HD23 LEU 34 HD23 LEU 34 14.827 -2.866 -17.254 97 H LYS 35 HN LYS 35 15.425 -8.261 -17.459 98 HA LYS 35 HA LYS 35 13.631 -10.607 -17.605 99 HB2 LYS 35 HB2 LYS 35 16.616 -10.446 -16.984 100 HB3 LYS 35 HB1 LYS 35 15.663 -11.933 -16.975 101 HG2 LYS 35 HG2 LYS 35 15.199 -11.584 -19.416 102 HG3 LYS 35 HG1 LYS 35 16.254 -10.169 -19.382 103 HD2 LYS 35 HD2 LYS 35 17.486 -12.094 -20.257 104 HD3 LYS 35 HD1 LYS 35 18.153 -11.620 -18.694 105 HE2 LYS 35 HE2 LYS 35 16.816 -13.444 -17.619 106 HE3 LYS 35 HE1 LYS 35 16.267 -13.945 -19.219 107 HZ1 LYS 35 HZ1 LYS 35 18.105 -15.283 -18.435 108 HZ2 LYS 35 HZ2 LYS 35 19.084 -13.914 -18.288 109 HZ3 LYS 35 HZ3 LYS 35 18.554 -14.412 -19.814 110 HA PRO 36 HA PRO 36 12.773 -9.850 -13.296 111 HB2 PRO 36 HB2 PRO 36 11.824 -12.270 -12.491 112 HB3 PRO 36 HB1 PRO 36 10.936 -11.230 -13.616 113 HG2 PRO 36 HG2 PRO 36 12.691 -13.606 -14.223 114 HG3 PRO 36 HG1 PRO 36 11.084 -13.214 -14.869 115 HD2 PRO 36 HD2 PRO 36 13.381 -12.678 -16.244 116 HD3 PRO 36 HD1 PRO 36 11.925 -11.664 -16.382 117 H TYR 37 HN TYR 37 13.797 -9.922 -11.337 118 HA TYR 37 HA TYR 37 16.338 -11.269 -11.096 119 HB2 TYR 37 HB2 TYR 37 16.562 -10.119 -8.945 120 HB3 TYR 37 HB1 TYR 37 16.016 -8.987 -10.168 121 HD1 TYR 37 HD1 TYR 37 13.630 -8.152 -10.113 122 HD2 TYR 37 HD2 TYR 37 15.196 -10.590 -6.967 123 HE1 TYR 37 HE1 TYR 37 11.776 -7.464 -8.645 124 HE2 TYR 37 HE2 TYR 37 13.339 -9.898 -5.509 125 HH TYR 37 HH TYR 37 11.763 -8.016 -5.303 126 H ASP 38 HN ASP 38 13.119 -11.991 -10.294 127 HA ASP 38 HA ASP 38 13.721 -14.571 -9.175 128 HB2 ASP 38 HB2 ASP 38 13.925 -13.178 -7.132 129 HB3 ASP 38 HB1 ASP 38 12.362 -12.435 -7.455 130 H ARG 39 HN ARG 39 11.722 -15.846 -8.956 131 HA ARG 39 HA ARG 39 9.279 -14.672 -10.118 132 HB2 ARG 39 HB2 ARG 39 10.293 -15.970 -11.920 133 HB3 ARG 39 HB1 ARG 39 10.536 -17.348 -10.853 134 HG2 ARG 39 HG2 ARG 39 8.157 -17.784 -10.746 135 HG3 ARG 39 HG1 ARG 39 7.798 -16.279 -11.596 136 HD2 ARG 39 HD2 ARG 39 9.420 -18.513 -12.852 137 HD3 ARG 39 HD1 ARG 39 7.662 -18.428 -12.974 138 HE ARG 39 HE ARG 39 8.005 -16.188 -14.041 139 HH11 ARG 39 HH11 ARG 39 10.580 -18.570 -14.272 140 HH12 ARG 39 HH12 ARG 39 11.144 -17.966 -15.797 141 HH21 ARG 39 HH21 ARG 39 8.745 -15.434 -16.039 142 HH22 ARG 39 HH22 ARG 39 10.115 -16.195 -16.784 143 H ILE 40 HN ILE 40 7.681 -14.835 -8.742 144 HA ILE 40 HA ILE 40 7.861 -16.597 -6.405 145 HB ILE 40 HB ILE 40 6.029 -15.239 -5.458 146 HG12 ILE 40 HG12 ILE 40 6.102 -13.683 -8.091 147 HG13 ILE 40 HG11 ILE 40 4.776 -14.697 -7.533 148 HG21 ILE 40 HG21 ILE 40 7.256 -13.135 -5.171 149 HG22 ILE 40 HG22 ILE 40 8.246 -13.488 -6.592 150 HG23 ILE 40 HG23 ILE 40 8.374 -14.503 -5.153 151 HD11 ILE 40 HD11 ILE 40 4.257 -12.364 -7.243 152 HD12 ILE 40 HD12 ILE 40 5.709 -12.113 -6.279 153 HD13 ILE 40 HD13 ILE 40 4.404 -13.131 -5.663 154 H VAL 41 HN VAL 41 5.816 -17.551 -5.613 155 HA VAL 41 HA VAL 41 4.090 -18.742 -7.671 156 HB VAL 41 HB VAL 41 5.905 -20.312 -7.659 157 HG11 VAL 41 HG11 VAL 41 7.103 -19.585 -5.652 158 HG12 VAL 41 HG12 VAL 41 6.876 -21.335 -5.605 159 HG13 VAL 41 HG13 VAL 41 5.856 -20.284 -4.616 160 HG21 VAL 41 HG21 VAL 41 3.675 -21.385 -7.555 161 HG22 VAL 41 HG22 VAL 41 3.792 -21.468 -5.796 162 HG23 VAL 41 HG23 VAL 41 4.910 -22.393 -6.799 163 H ILE 42 HN ILE 42 2.047 -18.909 -6.958 164 HA ILE 42 HA ILE 42 1.402 -19.559 -4.178 165 HB ILE 42 HB ILE 42 -0.475 -17.879 -4.085 166 HG12 ILE 42 HG12 ILE 42 0.868 -16.578 -6.496 167 HG13 ILE 42 HG11 ILE 42 -0.634 -17.489 -6.563 168 HG21 ILE 42 HG21 ILE 42 0.857 -15.896 -3.474 169 HG22 ILE 42 HG22 ILE 42 2.263 -16.579 -4.293 170 HG23 ILE 42 HG23 ILE 42 1.600 -17.378 -2.866 171 HD11 ILE 42 HD11 ILE 42 -0.186 -14.900 -5.091 172 HD12 ILE 42 HD12 ILE 42 -1.695 -15.815 -5.115 173 HD13 ILE 42 HD13 ILE 42 -1.057 -15.121 -6.606 174 H THR 43 HN THR 43 -1.067 -19.971 -4.068 175 HA THR 43 HA THR 43 -2.262 -20.951 -6.577 176 HB THR 43 HB THR 43 -3.233 -22.883 -5.090 177 HG1 THR 43 HG1 THR 43 -2.450 -22.162 -3.109 178 HG21 THR 43 HG21 THR 43 -1.353 -24.395 -5.575 179 HG22 THR 43 HG22 THR 43 -0.310 -23.009 -5.897 180 HG23 THR 43 HG23 THR 43 -1.687 -23.337 -6.949 181 H GLY 44 HN GLY 44 -4.195 -20.067 -6.821 182 HA2 GLY 44 HA2 GLY 44 -5.628 -18.836 -4.568 183 HA3 GLY 44 HA1 GLY 44 -5.991 -18.666 -6.281 184 H ARG 45 HN ARG 45 -6.013 -21.051 -3.633 185 HA ARG 45 HA ARG 45 -7.635 -22.951 -4.975 186 HB2 ARG 45 HB2 ARG 45 -6.094 -23.535 -3.092 187 HB3 ARG 45 HB1 ARG 45 -7.187 -22.728 -1.976 188 HG2 ARG 45 HG2 ARG 45 -8.967 -24.340 -2.517 189 HG3 ARG 45 HG1 ARG 45 -7.911 -25.133 -3.686 190 HD2 ARG 45 HD2 ARG 45 -6.360 -25.728 -1.836 191 HD3 ARG 45 HD1 ARG 45 -7.488 -24.993 -0.682 192 HE ARG 45 HE ARG 45 -8.591 -27.065 -2.420 193 HH11 ARG 45 HH11 ARG 45 -7.206 -26.389 0.739 194 HH12 ARG 45 HH12 ARG 45 -7.850 -27.831 1.447 195 HH21 ARG 45 HH21 ARG 45 -9.426 -28.921 -1.484 196 HH22 ARG 45 HH22 ARG 45 -9.115 -29.264 0.187 197 H PHE 46 HN PHE 46 -9.489 -22.195 -5.716 198 HA PHE 46 HA PHE 46 -11.611 -21.526 -5.897 199 HB2 PHE 46 HB2 PHE 46 -11.884 -23.243 -4.004 200 HB3 PHE 46 HB1 PHE 46 -11.935 -21.888 -2.879 201 HD1 PHE 46 HD2 PHE 46 -13.538 -22.824 -6.173 202 HD2 PHE 46 HD1 PHE 46 -14.117 -21.276 -2.226 203 HE1 PHE 46 HE2 PHE 46 -15.948 -22.609 -6.605 204 HE2 PHE 46 HE1 PHE 46 -16.529 -21.060 -2.675 205 HZ PHE 46 HZ PHE 46 -17.445 -21.730 -4.863 206 H ASN 47 HN ASN 47 -9.379 -19.665 -5.105 207 HA ASN 47 HA ASN 47 -10.801 -17.374 -3.950 208 HB2 ASN 47 HB2 ASN 47 -7.884 -17.811 -4.722 209 HB3 ASN 47 HB1 ASN 47 -8.510 -16.240 -4.228 210 HD21 ASN 47 HD21 ASN 47 -7.769 -19.493 -3.174 211 HD22 ASN 47 HD22 ASN 47 -7.792 -19.172 -1.480 212 H ALA 48 HN ALA 48 -10.952 -15.376 -5.022 213 HA ALA 48 HA ALA 48 -11.944 -15.589 -7.664 214 HB1 ALA 48 HB1 ALA 48 -12.872 -14.054 -5.984 215 HB2 ALA 48 HB2 ALA 48 -12.417 -13.193 -7.453 216 HB3 ALA 48 HB3 ALA 48 -11.386 -13.099 -6.022 217 H ILE 49 HN ILE 49 -11.314 -14.285 -9.526 218 HA ILE 49 HA ILE 49 -8.614 -14.493 -10.288 219 HB ILE 49 HB ILE 49 -10.325 -14.420 -12.008 220 HG12 ILE 49 HG12 ILE 49 -9.432 -12.659 -13.579 221 HG13 ILE 49 HG11 ILE 49 -8.542 -11.951 -12.238 222 HG21 ILE 49 HG21 ILE 49 -11.675 -12.436 -12.558 223 HG22 ILE 49 HG22 ILE 49 -10.989 -11.585 -11.172 224 HG23 ILE 49 HG23 ILE 49 -11.995 -13.010 -10.917 225 HD11 ILE 49 HD11 ILE 49 -8.124 -14.722 -13.362 226 HD12 ILE 49 HD12 ILE 49 -7.186 -13.970 -12.067 227 HD13 ILE 49 HD13 ILE 49 -7.137 -13.301 -13.696 228 H GLY 50 HN GLY 50 -10.495 -11.670 -9.150 229 HA2 GLY 50 HA2 GLY 50 -8.334 -9.804 -9.181 230 HA3 GLY 50 HA1 GLY 50 -9.869 -9.611 -8.343 231 H ASP 51 HN ASP 51 -9.490 -12.087 -6.779 232 HA ASP 51 HA ASP 51 -8.175 -11.023 -4.483 233 HB2 ASP 51 HB2 ASP 51 -10.075 -12.614 -4.336 234 HB3 ASP 51 HB1 ASP 51 -9.091 -13.881 -5.049 235 H ALA 52 HN ALA 52 -7.325 -13.622 -6.769 236 HA ALA 52 HA ALA 52 -4.825 -14.290 -5.572 237 HB1 ALA 52 HB1 ALA 52 -6.084 -15.894 -6.945 238 HB2 ALA 52 HB2 ALA 52 -4.453 -15.660 -7.581 239 HB3 ALA 52 HB3 ALA 52 -5.830 -14.886 -8.371 240 H VAL 53 HN VAL 53 -5.787 -12.078 -8.170 241 HA VAL 53 HA VAL 53 -3.167 -11.276 -8.946 242 HB VAL 53 HB VAL 53 -5.867 -9.914 -9.291 243 HG11 VAL 53 HG11 VAL 53 -3.192 -8.896 -10.347 244 HG12 VAL 53 HG12 VAL 53 -4.219 -8.084 -9.163 245 HG13 VAL 53 HG13 VAL 53 -4.774 -8.276 -10.826 246 HG21 VAL 53 HG21 VAL 53 -3.981 -11.249 -11.274 247 HG22 VAL 53 HG22 VAL 53 -5.526 -10.502 -11.681 248 HG23 VAL 53 HG23 VAL 53 -5.486 -11.934 -10.652 249 H SER 54 HN SER 54 -5.400 -10.104 -6.456 250 HA SER 54 HA SER 54 -3.855 -7.882 -5.569 251 HB2 SER 54 HB2 SER 54 -6.248 -8.186 -4.975 252 HB3 SER 54 HB1 SER 54 -5.837 -9.600 -4.009 253 HG SER 54 HG SER 54 -5.394 -6.882 -3.486 254 H ALA 55 HN ALA 55 -3.840 -11.321 -4.806 255 HA ALA 55 HA ALA 55 -2.140 -11.263 -2.523 256 HB1 ALA 55 HB1 ALA 55 -3.650 -13.144 -3.010 257 HB2 ALA 55 HB2 ALA 55 -1.982 -13.701 -2.850 258 HB3 ALA 55 HB3 ALA 55 -2.712 -13.537 -4.452 259 H VAL 56 HN VAL 56 -1.525 -11.933 -5.981 260 HA VAL 56 HA VAL 56 1.278 -12.466 -5.621 261 HB VAL 56 HB VAL 56 -0.106 -13.513 -7.428 262 HG11 VAL 56 HG11 VAL 56 -1.456 -11.605 -8.113 263 HG12 VAL 56 HG12 VAL 56 -0.598 -12.269 -9.507 264 HG13 VAL 56 HG13 VAL 56 -0.025 -10.784 -8.738 265 HG21 VAL 56 HG21 VAL 56 1.596 -13.414 -9.218 266 HG22 VAL 56 HG22 VAL 56 2.337 -13.557 -7.623 267 HG23 VAL 56 HG23 VAL 56 2.318 -11.997 -8.446 268 H SER 57 HN SER 57 -0.632 -9.645 -6.495 269 HA SER 57 HA SER 57 1.477 -7.941 -7.402 270 HB2 SER 57 HB2 SER 57 -0.920 -7.537 -7.931 271 HB3 SER 57 HB1 SER 57 -1.252 -7.219 -6.234 272 HG SER 57 HG SER 57 0.606 -5.726 -7.763 273 H ARG 58 HN ARG 58 -0.174 -8.392 -4.271 274 HA ARG 58 HA ARG 58 1.244 -6.513 -2.722 275 HB2 ARG 58 HB2 ARG 58 -0.803 -7.520 -1.841 276 HB3 ARG 58 HB1 ARG 58 -0.095 -9.133 -1.923 277 HG2 ARG 58 HG2 ARG 58 1.641 -8.323 -0.227 278 HG3 ARG 58 HG1 ARG 58 0.649 -6.875 -0.039 279 HD2 ARG 58 HD2 ARG 58 -1.130 -8.103 0.947 280 HD3 ARG 58 HD1 ARG 58 -0.493 -9.649 0.369 281 HE ARG 58 HE ARG 58 1.356 -8.342 2.101 282 HH11 ARG 58 HH11 ARG 58 -1.616 -10.197 2.221 283 HH12 ARG 58 HH12 ARG 58 -1.241 -10.926 3.746 284 HH21 ARG 58 HH21 ARG 58 1.872 -9.318 4.041 285 HH22 ARG 58 HH22 ARG 58 0.762 -10.432 4.784 286 H ARG 59 HN ARG 59 1.796 -9.982 -3.305 287 HA ARG 59 HA ARG 59 3.966 -10.412 -1.578 288 HB2 ARG 59 HB2 ARG 59 2.465 -12.118 -2.898 289 HB3 ARG 59 HB1 ARG 59 3.628 -11.937 -4.199 290 HG2 ARG 59 HG2 ARG 59 4.302 -12.922 -1.393 291 HG3 ARG 59 HG1 ARG 59 3.971 -13.972 -2.771 292 HD2 ARG 59 HD2 ARG 59 5.940 -13.208 -3.904 293 HD3 ARG 59 HD1 ARG 59 6.233 -11.955 -2.700 294 HE ARG 59 HE ARG 59 6.818 -14.799 -2.484 295 HH11 ARG 59 HH11 ARG 59 6.404 -11.799 -0.718 296 HH12 ARG 59 HH12 ARG 59 7.476 -12.246 0.562 297 HH21 ARG 59 HH21 ARG 59 8.206 -15.419 -0.787 298 HH22 ARG 59 HH22 ARG 59 8.507 -14.325 0.524 299 H ALA 60 HN ALA 60 3.890 -9.583 -5.035 300 HA ALA 60 HA ALA 60 6.623 -9.459 -5.611 301 HB1 ALA 60 HB1 ALA 60 5.947 -8.033 -7.516 302 HB2 ALA 60 HB2 ALA 60 4.369 -7.777 -6.765 303 HB3 ALA 60 HB3 ALA 60 4.837 -9.390 -7.310 304 H ASP 61 HN ASP 61 4.430 -6.943 -4.412 305 HA ASP 61 HA ASP 61 6.255 -4.773 -4.364 306 HB2 ASP 61 HB2 ASP 61 3.821 -4.449 -4.376 307 HB3 ASP 61 HB1 ASP 61 3.680 -5.256 -2.825 308 H GLU 62 HN GLU 62 5.431 -7.256 -1.965 309 HA GLU 62 HA GLU 62 6.846 -6.101 0.238 310 HB2 GLU 62 HB2 GLU 62 5.990 -8.994 -0.221 311 HB3 GLU 62 HB1 GLU 62 6.633 -8.366 1.298 312 HG2 GLU 62 HG2 GLU 62 4.681 -6.762 1.348 313 HG3 GLU 62 HG1 GLU 62 4.017 -7.620 -0.037 314 H GLU 63 HN GLU 63 7.788 -8.017 -2.499 315 HA GLU 63 HA GLU 63 10.460 -8.593 -1.447 316 HB2 GLU 63 HB2 GLU 63 9.188 -9.222 -4.153 317 HB3 GLU 63 HB1 GLU 63 10.803 -9.736 -3.648 318 HG2 GLU 63 HG2 GLU 63 8.155 -10.559 -2.404 319 HG3 GLU 63 HG1 GLU 63 9.231 -11.568 -3.371 320 H GLY 64 HN GLY 64 9.048 -5.894 -2.607 321 HA2 GLY 64 HA2 GLY 64 9.977 -3.852 -3.087 322 HA3 GLY 64 HA1 GLY 64 11.569 -4.591 -3.084 323 H ALA 65 HN ALA 65 9.097 -5.943 -5.092 324 HA ALA 65 HA ALA 65 10.453 -5.216 -7.547 325 HB1 ALA 65 HB1 ALA 65 9.464 -7.466 -7.304 326 HB2 ALA 65 HB2 ALA 65 8.755 -6.596 -8.664 327 HB3 ALA 65 HB3 ALA 65 7.853 -6.753 -7.152 328 H ALA 66 HN ALA 66 9.913 -3.607 -8.895 329 HA ALA 66 HA ALA 66 7.967 -1.606 -8.284 330 HB1 ALA 66 HB1 ALA 66 9.483 -2.125 -10.872 331 HB2 ALA 66 HB2 ALA 66 10.019 -1.092 -9.548 332 HB3 ALA 66 HB3 ALA 66 8.591 -0.647 -10.482 333 H SER 67 HN SER 67 8.070 -4.438 -10.329 334 HA SER 67 HA SER 67 5.221 -4.355 -10.894 335 HB2 SER 67 HB2 SER 67 7.303 -4.323 -13.137 336 HB3 SER 67 HB1 SER 67 5.576 -4.589 -13.360 337 HG SER 67 HG SER 67 5.751 -2.370 -11.990 338 H PHE 68 HN PHE 68 4.553 -6.335 -12.095 339 HA PHE 68 HA PHE 68 6.356 -8.640 -12.005 340 HB2 PHE 68 HB2 PHE 68 4.882 -10.040 -10.718 341 HB3 PHE 68 HB1 PHE 68 4.994 -8.543 -9.803 342 HD1 PHE 68 HD2 PHE 68 3.042 -6.857 -9.991 343 HD2 PHE 68 HD1 PHE 68 2.754 -10.875 -11.438 344 HE1 PHE 68 HE2 PHE 68 0.588 -6.671 -10.056 345 HE2 PHE 68 HE1 PHE 68 0.306 -10.666 -11.507 346 HZ PHE 68 HZ PHE 68 -0.779 -8.572 -10.817 347 H TYR 69 HN TYR 69 5.763 -10.225 -13.533 348 HA TYR 69 HA TYR 69 3.389 -9.759 -15.217 349 HB2 TYR 69 HB2 TYR 69 5.451 -9.052 -16.425 350 HB3 TYR 69 HB1 TYR 69 6.175 -10.631 -16.146 351 HD1 TYR 69 HD1 TYR 69 3.374 -8.886 -17.902 352 HD2 TYR 69 HD2 TYR 69 5.732 -12.444 -17.665 353 HE1 TYR 69 HE1 TYR 69 2.380 -9.684 -20.003 354 HE2 TYR 69 HE2 TYR 69 4.733 -13.248 -19.765 355 HH TYR 69 HH TYR 69 2.691 -12.914 -21.065 356 H VAL 70 HN VAL 70 2.132 -11.577 -15.419 357 HA VAL 70 HA VAL 70 2.819 -13.947 -13.911 358 HB VAL 70 HB VAL 70 0.361 -13.455 -15.654 359 HG11 VAL 70 HG11 VAL 70 0.815 -15.542 -13.477 360 HG12 VAL 70 HG12 VAL 70 0.724 -15.856 -15.212 361 HG13 VAL 70 HG13 VAL 70 -0.699 -15.274 -14.348 362 HG21 VAL 70 HG21 VAL 70 0.683 -13.013 -12.655 363 HG22 VAL 70 HG22 VAL 70 -0.829 -12.871 -13.557 364 HG23 VAL 70 HG23 VAL 70 0.497 -11.753 -13.879 365 H VAL 71 HN VAL 71 3.821 -15.730 -14.711 366 HA VAL 71 HA VAL 71 4.444 -15.858 -17.572 367 HB VAL 71 HB VAL 71 6.273 -16.207 -15.954 368 HG11 VAL 71 HG11 VAL 71 6.436 -18.237 -14.560 369 HG12 VAL 71 HG12 VAL 71 4.788 -18.675 -15.016 370 HG13 VAL 71 HG13 VAL 71 5.087 -17.203 -14.084 371 HG21 VAL 71 HG21 VAL 71 5.702 -18.724 -17.557 372 HG22 VAL 71 HG22 VAL 71 7.273 -18.265 -16.893 373 HG23 VAL 71 HG23 VAL 71 6.521 -17.270 -18.141 374 H ASP 72 HN ASP 72 2.481 -17.510 -15.167 375 HA ASP 72 HA ASP 72 1.089 -19.087 -17.145 376 HB2 ASP 72 HB2 ASP 72 3.213 -20.393 -16.718 377 HB3 ASP 72 HB1 ASP 72 2.766 -20.521 -15.040 378 H THR 73 HN THR 73 -0.891 -19.661 -16.445 379 HA THR 73 HA THR 73 -1.467 -19.943 -13.569 380 HB THR 73 HB THR 73 -3.850 -19.141 -14.102 381 HG1 THR 73 HG1 THR 73 -2.671 -17.802 -16.315 382 HG21 THR 73 HG21 THR 73 -2.261 -17.731 -12.828 383 HG22 THR 73 HG22 THR 73 -3.335 -16.759 -13.837 384 HG23 THR 73 HG23 THR 73 -1.666 -17.041 -14.339 385 H SER 74 HN SER 74 -1.880 -22.042 -13.283 386 HA SER 74 HA SER 74 -3.238 -23.616 -15.401 387 HB2 SER 74 HB2 SER 74 -0.801 -24.100 -15.384 388 HB3 SER 74 HB1 SER 74 -0.886 -24.516 -13.679 389 HG SER 74 HG SER 74 -1.947 -25.915 -15.895 390 H GLU 75 HN GLU 75 -5.070 -24.444 -14.681 391 HA GLU 75 HA GLU 75 -5.924 -24.422 -11.978 392 HB2 GLU 75 HB2 GLU 75 -7.099 -25.851 -14.400 393 HB3 GLU 75 HB1 GLU 75 -7.928 -25.617 -12.857 394 HG2 GLU 75 HG2 GLU 75 -8.035 -23.248 -13.158 395 HG3 GLU 75 HG1 GLU 75 -6.912 -23.289 -14.516 396 H PHE 76 HN PHE 76 -5.533 -25.830 -10.408 397 HA PHE 76 HA PHE 76 -3.752 -27.993 -10.597 398 HB2 PHE 76 HB2 PHE 76 -4.069 -26.711 -8.537 399 HB3 PHE 76 HB1 PHE 76 -5.747 -27.218 -8.424 400 HD1 PHE 76 HD2 PHE 76 -2.244 -28.566 -8.351 401 HD2 PHE 76 HD1 PHE 76 -6.307 -29.148 -7.146 402 HE1 PHE 76 HE2 PHE 76 -1.562 -30.476 -6.957 403 HE2 PHE 76 HE1 PHE 76 -5.611 -31.061 -5.757 404 HZ PHE 76 HZ PHE 76 -3.241 -31.725 -5.661 405 H GLY 77 HN GLY 77 -7.289 -27.922 -10.333 406 HA2 GLY 77 HA2 GLY 77 -7.584 -30.521 -11.620 407 HA3 GLY 77 HA1 GLY 77 -8.112 -30.457 -9.937 408 H ASN 78 HN ASN 78 -10.223 -31.023 -10.962 409 HA ASN 78 HA ASN 78 -11.640 -29.151 -12.598 410 HB2 ASN 78 HB2 ASN 78 -12.749 -31.418 -10.880 411 HB3 ASN 78 HB1 ASN 78 -13.633 -30.571 -12.145 412 HD21 ASN 78 HD21 ASN 78 -13.064 -33.404 -11.916 413 HD22 ASN 78 HD22 ASN 78 -12.191 -33.845 -13.342 414 H SER 79 HN SER 79 -10.945 -29.186 -9.269 415 HA SER 79 HA SER 79 -13.112 -27.615 -8.265 416 HB2 SER 79 HB2 SER 79 -11.549 -29.021 -6.849 417 HB3 SER 79 HB1 SER 79 -10.263 -27.859 -7.169 418 HG SER 79 HG SER 79 -12.625 -27.556 -5.661 419 H GLY 80 HN GLY 80 -12.407 -25.395 -7.177 420 HA2 GLY 80 HA2 GLY 80 -11.803 -23.554 -9.324 421 HA3 GLY 80 HA1 GLY 80 -12.298 -23.152 -7.691 422 H ASN 81 HN ASN 81 -9.651 -25.281 -7.646 423 HA ASN 81 HA ASN 81 -7.815 -23.207 -6.807 424 HB2 ASN 81 HB2 ASN 81 -7.879 -25.386 -5.596 425 HB3 ASN 81 HB1 ASN 81 -7.334 -26.217 -7.051 426 HD21 ASN 81 HD21 ASN 81 -5.533 -26.977 -5.803 427 HD22 ASN 81 HD22 ASN 81 -4.173 -25.960 -5.483 428 H TRP 82 HN TRP 82 -6.281 -22.308 -7.966 429 HA TRP 82 HA TRP 82 -5.258 -23.550 -10.397 430 HB2 TRP 82 HB2 TRP 82 -5.539 -21.403 -11.690 431 HB3 TRP 82 HB1 TRP 82 -7.047 -22.218 -11.319 432 HD1 TRP 82 HD1 TRP 82 -8.129 -21.090 -8.770 433 HE1 TRP 82 HE1 TRP 82 -8.564 -18.594 -8.355 434 HE3 TRP 82 HE3 TRP 82 -5.048 -19.129 -12.335 435 HZ2 TRP 82 HZ2 TRP 82 -7.733 -16.127 -9.389 436 HZ3 TRP 82 HZ3 TRP 82 -4.930 -16.679 -12.564 437 HH2 TRP 82 HH2 TRP 82 -6.247 -15.210 -11.121 438 H ARG 83 HN ARG 83 -3.193 -23.483 -10.374 439 HA ARG 83 HA ARG 83 -1.489 -22.122 -8.597 440 HB2 ARG 83 HB2 ARG 83 -0.697 -24.168 -9.529 441 HB3 ARG 83 HB1 ARG 83 -1.115 -23.691 -11.163 442 HG2 ARG 83 HG2 ARG 83 1.271 -23.749 -10.953 443 HG3 ARG 83 HG1 ARG 83 0.767 -22.077 -11.172 444 HD2 ARG 83 HD2 ARG 83 1.116 -21.610 -8.814 445 HD3 ARG 83 HD1 ARG 83 1.460 -23.318 -8.486 446 HE ARG 83 HE ARG 83 3.271 -21.355 -9.464 447 HH11 ARG 83 HH11 ARG 83 2.607 -24.799 -9.710 448 HH12 ARG 83 HH12 ARG 83 4.224 -25.209 -10.172 449 HH21 ARG 83 HH21 ARG 83 5.406 -21.910 -10.065 450 HH22 ARG 83 HH22 ARG 83 5.805 -23.568 -10.372 451 H VAL 84 HN VAL 84 -1.145 -19.992 -8.605 452 HA VAL 84 HA VAL 84 -0.944 -18.471 -11.138 453 HB VAL 84 HB VAL 84 -1.137 -17.340 -8.305 454 HG11 VAL 84 HG11 VAL 84 -1.715 -15.220 -9.440 455 HG12 VAL 84 HG12 VAL 84 -1.514 -16.003 -11.009 456 HG13 VAL 84 HG13 VAL 84 -0.125 -15.810 -9.936 457 HG21 VAL 84 HG21 VAL 84 -3.407 -17.745 -10.285 458 HG22 VAL 84 HG22 VAL 84 -3.521 -16.853 -8.766 459 HG23 VAL 84 HG23 VAL 84 -3.195 -18.587 -8.746 460 H VAL 85 HN VAL 85 1.157 -18.608 -11.792 461 HA VAL 85 HA VAL 85 3.286 -17.973 -9.824 462 HB VAL 85 HB VAL 85 3.569 -20.268 -10.580 463 HG11 VAL 85 HG11 VAL 85 2.363 -20.268 -12.672 464 HG12 VAL 85 HG12 VAL 85 3.984 -20.923 -12.901 465 HG13 VAL 85 HG13 VAL 85 3.616 -19.278 -13.425 466 HG21 VAL 85 HG21 VAL 85 5.615 -18.982 -10.161 467 HG22 VAL 85 HG22 VAL 85 5.671 -18.492 -11.854 468 HG23 VAL 85 HG23 VAL 85 5.887 -20.190 -11.420 469 H ALA 86 HN ALA 86 4.420 -16.198 -10.207 470 HA ALA 86 HA ALA 86 4.363 -14.866 -12.816 471 HB1 ALA 86 HB1 ALA 86 3.518 -13.500 -10.234 472 HB2 ALA 86 HB2 ALA 86 2.441 -13.945 -11.559 473 HB3 ALA 86 HB3 ALA 86 3.691 -12.725 -11.811 474 H ASP 87 HN ASP 87 6.087 -13.643 -13.197 475 HA ASP 87 HA ASP 87 8.378 -13.812 -11.391 476 HB2 ASP 87 HB2 ASP 87 9.524 -12.852 -13.593 477 HB3 ASP 87 HB1 ASP 87 9.129 -14.552 -13.450 478 H VAL 88 HN VAL 88 9.581 -11.989 -10.784 479 HA VAL 88 HA VAL 88 8.011 -9.468 -10.703 480 HB VAL 88 HB VAL 88 8.939 -9.126 -8.402 481 HG11 VAL 88 HG11 VAL 88 7.503 -10.793 -7.262 482 HG12 VAL 88 HG12 VAL 88 7.424 -11.746 -8.748 483 HG13 VAL 88 HG13 VAL 88 6.711 -10.131 -8.693 484 HG21 VAL 88 HG21 VAL 88 10.017 -11.969 -8.650 485 HG22 VAL 88 HG22 VAL 88 10.021 -10.991 -7.177 486 HG23 VAL 88 HG23 VAL 88 10.991 -10.500 -8.564 487 H TYR 89 HN TYR 89 9.149 -7.506 -10.784 488 HA TYR 89 HA TYR 89 11.818 -7.661 -12.066 489 HB2 TYR 89 HB2 TYR 89 9.366 -6.080 -12.970 490 HB3 TYR 89 HB1 TYR 89 10.976 -5.867 -13.647 491 HD1 TYR 89 HD1 TYR 89 8.156 -8.277 -13.314 492 HD2 TYR 89 HD2 TYR 89 11.803 -7.354 -15.349 493 HE1 TYR 89 HE1 TYR 89 7.654 -9.985 -15.007 494 HE2 TYR 89 HE2 TYR 89 11.293 -9.066 -17.033 495 HH TYR 89 HH TYR 89 8.193 -10.710 -17.092 496 H LYS 90 HN LYS 90 12.844 -5.528 -12.327 497 HA LYS 90 HA LYS 90 12.605 -3.875 -9.898 498 HB2 LYS 90 HB2 LYS 90 14.870 -4.154 -11.920 499 HB3 LYS 90 HB1 LYS 90 14.924 -3.134 -10.485 500 HG2 LYS 90 HG2 LYS 90 14.460 -6.114 -10.214 501 HG3 LYS 90 HG1 LYS 90 16.083 -5.494 -10.491 502 HD2 LYS 90 HD2 LYS 90 15.816 -5.815 -8.124 503 HD3 LYS 90 HD1 LYS 90 15.856 -4.083 -8.431 504 HE2 LYS 90 HE2 LYS 90 13.363 -4.036 -8.222 505 HE3 LYS 90 HE1 LYS 90 13.392 -5.754 -7.816 506 HZ1 LYS 90 HZ1 LYS 90 13.295 -4.344 -5.856 507 HZ2 LYS 90 HZ2 LYS 90 14.746 -3.598 -6.301 508 HZ3 LYS 90 HZ3 LYS 90 14.730 -5.236 -5.890 509 H ALA 91 HN ALA 91 13.003 -1.555 -10.138 510 HA ALA 91 HA ALA 91 11.639 -0.347 -12.426 511 HB1 ALA 91 HB1 ALA 91 11.771 1.750 -11.133 512 HB2 ALA 91 HB2 ALA 91 12.757 0.955 -9.904 513 HB3 ALA 91 HB3 ALA 91 11.086 0.451 -10.155 Start of MODEL 6 1 H HIS 21 HT1 HIS 21 3.761 2.895 -2.914 2 HA HIS 21 HA HIS 21 4.560 0.651 -2.609 3 HB2 HIS 21 HB2 HIS 21 4.154 2.049 -0.623 4 HB3 HIS 21 HB1 HIS 21 2.466 1.563 -0.584 5 HD1 HIS 21 HD1 HIS 21 1.918 -0.427 0.830 6 HD2 HIS 21 HD2 HIS 21 5.980 -0.199 -0.025 7 HE1 HIS 21 HE1 HIS 21 2.999 -2.221 2.205 8 HE2 HIS 21 HE2 HIS 21 5.392 -2.233 1.449 9 H ALA 22 HN ALA 22 3.653 -0.462 -4.437 10 HA ALA 22 HA ALA 22 2.361 -2.860 -3.822 11 HB1 ALA 22 HB1 ALA 22 0.250 -2.652 -5.123 12 HB2 ALA 22 HB2 ALA 22 0.563 -0.929 -5.362 13 HB3 ALA 22 HB3 ALA 22 0.258 -1.554 -3.742 14 H ALA 23 HN ALA 23 2.854 -4.316 -5.461 15 HA ALA 23 HA ALA 23 4.721 -3.524 -7.455 16 HB1 ALA 23 HB1 ALA 23 4.772 -5.745 -6.404 17 HB2 ALA 23 HB2 ALA 23 4.692 -5.872 -8.162 18 HB3 ALA 23 HB3 ALA 23 3.247 -6.165 -7.189 19 H THR 24 HN THR 24 4.240 -2.501 -9.284 20 HA THR 24 HA THR 24 1.663 -2.271 -10.459 21 HB THR 24 HB THR 24 4.399 -1.640 -11.681 22 HG1 THR 24 HG1 THR 24 2.618 -0.098 -10.069 23 HG21 THR 24 HG21 THR 24 3.181 -0.008 -13.091 24 HG22 THR 24 HG22 THR 24 1.644 -0.543 -12.410 25 HG23 THR 24 HG23 THR 24 2.603 -1.647 -13.398 26 H GLU 25 HN GLU 25 0.706 -3.409 -12.136 27 HA GLU 25 HA GLU 25 1.816 -5.932 -12.944 28 HB2 GLU 25 HB2 GLU 25 -0.653 -5.545 -12.726 29 HB3 GLU 25 HB1 GLU 25 -0.597 -4.481 -14.130 30 HG2 GLU 25 HG2 GLU 25 0.206 -6.396 -15.509 31 HG3 GLU 25 HG1 GLU 25 0.082 -7.443 -14.100 32 H LEU 26 HN LEU 26 3.253 -6.202 -14.464 33 HA LEU 26 HA LEU 26 4.101 -4.038 -16.206 34 HB2 LEU 26 HB2 LEU 26 5.573 -5.740 -14.789 35 HB3 LEU 26 HB1 LEU 26 5.307 -6.821 -16.142 36 HG LEU 26 HG LEU 26 6.330 -5.055 -17.648 37 HD11 LEU 26 HD11 LEU 26 5.985 -3.088 -16.229 38 HD12 LEU 26 HD12 LEU 26 7.689 -3.284 -16.635 39 HD13 LEU 26 HD13 LEU 26 7.110 -3.736 -15.030 40 HD21 LEU 26 HD21 LEU 26 8.126 -6.148 -15.461 41 HD22 LEU 26 HD22 LEU 26 8.649 -5.576 -17.049 42 HD23 LEU 26 HD23 LEU 26 7.626 -7.005 -16.923 43 H THR 27 HN THR 27 4.022 -4.133 -18.500 44 HA THR 27 HA THR 27 2.062 -5.948 -19.682 45 HB THR 27 HB THR 27 2.392 -4.594 -21.765 46 HG1 THR 27 HG1 THR 27 3.784 -2.540 -20.802 47 HG21 THR 27 HG21 THR 27 1.468 -2.459 -20.934 48 HG22 THR 27 HG22 THR 27 1.936 -2.884 -19.287 49 HG23 THR 27 HG23 THR 27 0.705 -3.833 -20.125 50 HA PRO 28 HA PRO 28 4.874 -8.966 -21.471 51 HB2 PRO 28 HB2 PRO 28 3.951 -9.124 -24.123 52 HB3 PRO 28 HB1 PRO 28 3.260 -9.989 -22.748 53 HG2 PRO 28 HG2 PRO 28 2.380 -7.394 -24.002 54 HG3 PRO 28 HG1 PRO 28 1.389 -8.759 -23.446 55 HD2 PRO 28 HD2 PRO 28 1.598 -6.557 -21.955 56 HD3 PRO 28 HD1 PRO 28 1.609 -8.158 -21.178 57 H GLU 29 HN GLU 29 4.482 -5.911 -23.242 58 HA GLU 29 HA GLU 29 6.824 -6.085 -24.848 59 HB2 GLU 29 HB2 GLU 29 4.966 -4.496 -25.323 60 HB3 GLU 29 HB1 GLU 29 5.371 -3.592 -23.867 61 HG2 GLU 29 HG2 GLU 29 7.553 -2.996 -24.815 62 HG3 GLU 29 HG1 GLU 29 7.221 -3.961 -26.250 63 H GLN 30 HN GLN 30 6.187 -4.616 -21.659 64 HA GLN 30 HA GLN 30 8.870 -3.687 -21.221 65 HB2 GLN 30 HB2 GLN 30 6.631 -4.196 -19.231 66 HB3 GLN 30 HB1 GLN 30 8.117 -3.312 -18.882 67 HG2 GLN 30 HG2 GLN 30 7.457 -1.569 -20.489 68 HG3 GLN 30 HG1 GLN 30 5.986 -2.474 -20.867 69 HE21 GLN 30 HE21 GLN 30 7.648 -0.559 -18.460 70 HE22 GLN 30 HE22 GLN 30 6.281 -0.272 -17.448 71 H ALA 31 HN ALA 31 7.160 -6.676 -20.607 72 HA ALA 31 HA ALA 31 9.119 -7.884 -18.873 73 HB1 ALA 31 HB1 ALA 31 7.825 -9.957 -19.211 74 HB2 ALA 31 HB2 ALA 31 6.893 -9.174 -20.494 75 HB3 ALA 31 HB3 ALA 31 6.765 -8.599 -18.831 76 H ALA 32 HN ALA 32 8.706 -7.542 -22.311 77 HA ALA 32 HA ALA 32 10.769 -9.465 -23.041 78 HB1 ALA 32 HB1 ALA 32 9.313 -7.389 -24.714 79 HB2 ALA 32 HB2 ALA 32 8.852 -9.082 -24.533 80 HB3 ALA 32 HB3 ALA 32 10.367 -8.666 -25.336 81 H ALA 33 HN ALA 33 10.455 -6.047 -22.365 82 HA ALA 33 HA ALA 33 12.949 -5.152 -23.469 83 HB1 ALA 33 HB1 ALA 33 12.490 -3.060 -22.260 84 HB2 ALA 33 HB2 ALA 33 11.193 -3.847 -21.353 85 HB3 ALA 33 HB3 ALA 33 11.042 -3.623 -23.098 86 H LEU 34 HN LEU 34 11.821 -5.919 -20.194 87 HA LEU 34 HA LEU 34 14.573 -5.902 -19.120 88 HB2 LEU 34 HB2 LEU 34 11.877 -5.855 -17.688 89 HB3 LEU 34 HB1 LEU 34 13.447 -5.809 -16.891 90 HG LEU 34 HG LEU 34 12.357 -3.641 -18.738 91 HD11 LEU 34 HD11 LEU 34 11.096 -3.739 -16.643 92 HD12 LEU 34 HD12 LEU 34 12.076 -2.279 -16.718 93 HD13 LEU 34 HD13 LEU 34 12.591 -3.634 -15.706 94 HD21 LEU 34 HD21 LEU 34 14.276 -2.288 -17.978 95 HD22 LEU 34 HD22 LEU 34 14.803 -3.740 -18.820 96 HD23 LEU 34 HD23 LEU 34 14.897 -3.665 -17.057 97 H LYS 35 HN LYS 35 15.054 -7.623 -17.517 98 HA LYS 35 HA LYS 35 13.540 -10.146 -17.889 99 HB2 LYS 35 HB2 LYS 35 15.627 -11.380 -17.459 100 HB3 LYS 35 HB1 LYS 35 15.825 -10.304 -18.839 101 HG2 LYS 35 HG2 LYS 35 17.032 -8.693 -17.404 102 HG3 LYS 35 HG1 LYS 35 16.845 -9.786 -16.027 103 HD2 LYS 35 HD2 LYS 35 18.185 -11.501 -17.205 104 HD3 LYS 35 HD1 LYS 35 18.344 -10.425 -18.601 105 HE2 LYS 35 HE2 LYS 35 19.418 -9.894 -15.810 106 HE3 LYS 35 HE1 LYS 35 20.370 -10.382 -17.216 107 HZ1 LYS 35 HZ1 LYS 35 20.489 -7.997 -16.817 108 HZ2 LYS 35 HZ2 LYS 35 18.814 -7.853 -16.992 109 HZ3 LYS 35 HZ3 LYS 35 19.767 -8.320 -18.309 110 HA PRO 36 HA PRO 36 12.797 -9.761 -13.486 111 HB2 PRO 36 HB2 PRO 36 12.000 -12.253 -12.843 112 HB3 PRO 36 HB1 PRO 36 11.056 -11.257 -13.966 113 HG2 PRO 36 HG2 PRO 36 13.043 -13.449 -14.585 114 HG3 PRO 36 HG1 PRO 36 11.425 -13.187 -15.271 115 HD2 PRO 36 HD2 PRO 36 13.746 -12.386 -16.517 116 HD3 PRO 36 HD1 PRO 36 12.180 -11.577 -16.754 117 H TYR 37 HN TYR 37 13.530 -10.514 -11.357 118 HA TYR 37 HA TYR 37 16.257 -11.619 -11.414 119 HB2 TYR 37 HB2 TYR 37 16.534 -10.754 -9.150 120 HB3 TYR 37 HB1 TYR 37 16.015 -9.484 -10.235 121 HD1 TYR 37 HD1 TYR 37 13.581 -8.628 -10.056 122 HD2 TYR 37 HD2 TYR 37 15.310 -11.244 -7.148 123 HE1 TYR 37 HE1 TYR 37 11.875 -7.950 -8.413 124 HE2 TYR 37 HE2 TYR 37 13.602 -10.570 -5.520 125 HH TYR 37 HH TYR 37 12.071 -8.848 -5.060 126 H ASP 38 HN ASP 38 13.102 -12.113 -9.860 127 HA ASP 38 HA ASP 38 13.666 -14.977 -9.558 128 HB2 ASP 38 HB2 ASP 38 12.889 -13.095 -7.297 129 HB3 ASP 38 HB1 ASP 38 12.431 -14.790 -7.233 130 H ARG 39 HN ARG 39 11.412 -15.949 -8.587 131 HA ARG 39 HA ARG 39 9.109 -14.632 -9.924 132 HB2 ARG 39 HB2 ARG 39 9.337 -17.643 -9.472 133 HB3 ARG 39 HB1 ARG 39 8.108 -16.782 -10.398 134 HG2 ARG 39 HG2 ARG 39 9.979 -16.129 -12.012 135 HG3 ARG 39 HG1 ARG 39 11.010 -17.271 -11.142 136 HD2 ARG 39 HD2 ARG 39 9.224 -19.041 -11.631 137 HD3 ARG 39 HD1 ARG 39 8.488 -17.863 -12.730 138 HE ARG 39 HE ARG 39 11.259 -18.898 -13.019 139 HH11 ARG 39 HH11 ARG 39 8.295 -17.777 -14.547 140 HH12 ARG 39 HH12 ARG 39 8.799 -18.270 -16.130 141 HH21 ARG 39 HH21 ARG 39 11.903 -19.493 -15.102 142 HH22 ARG 39 HH22 ARG 39 10.838 -19.223 -16.448 143 H ILE 40 HN ILE 40 7.018 -15.317 -8.909 144 HA ILE 40 HA ILE 40 7.138 -16.316 -6.151 145 HB ILE 40 HB ILE 40 5.331 -14.728 -5.439 146 HG12 ILE 40 HG12 ILE 40 5.931 -13.253 -8.043 147 HG13 ILE 40 HG11 ILE 40 4.443 -14.122 -7.682 148 HG21 ILE 40 HG21 ILE 40 7.646 -14.236 -4.793 149 HG22 ILE 40 HG22 ILE 40 6.746 -12.745 -5.062 150 HG23 ILE 40 HG23 ILE 40 7.887 -13.318 -6.282 151 HD11 ILE 40 HD11 ILE 40 5.455 -11.666 -6.259 152 HD12 ILE 40 HD12 ILE 40 3.966 -12.537 -5.880 153 HD13 ILE 40 HD13 ILE 40 4.151 -11.740 -7.441 154 H VAL 41 HN VAL 41 5.473 -17.743 -5.709 155 HA VAL 41 HA VAL 41 3.432 -18.203 -7.806 156 HB VAL 41 HB VAL 41 4.744 -20.418 -6.158 157 HG11 VAL 41 HG11 VAL 41 2.430 -20.934 -6.840 158 HG12 VAL 41 HG12 VAL 41 3.573 -21.953 -7.716 159 HG13 VAL 41 HG13 VAL 41 2.827 -20.574 -8.525 160 HG21 VAL 41 HG21 VAL 41 5.917 -21.116 -8.225 161 HG22 VAL 41 HG22 VAL 41 6.407 -19.495 -7.726 162 HG23 VAL 41 HG23 VAL 41 5.279 -19.701 -9.068 163 H ILE 42 HN ILE 42 1.459 -17.963 -7.051 164 HA ILE 42 HA ILE 42 0.795 -18.641 -4.232 165 HB ILE 42 HB ILE 42 -1.100 -17.052 -4.370 166 HG12 ILE 42 HG12 ILE 42 -0.002 -16.200 -7.088 167 HG13 ILE 42 HG11 ILE 42 -1.424 -17.211 -6.873 168 HG21 ILE 42 HG21 ILE 42 0.149 -14.918 -4.305 169 HG22 ILE 42 HG22 ILE 42 1.530 -15.699 -5.074 170 HG23 ILE 42 HG23 ILE 42 1.023 -16.198 -3.459 171 HD11 ILE 42 HD11 ILE 42 -2.027 -14.928 -7.360 172 HD12 ILE 42 HD12 ILE 42 -1.126 -14.355 -5.957 173 HD13 ILE 42 HD13 ILE 42 -2.557 -15.368 -5.737 174 H THR 43 HN THR 43 -1.638 -19.258 -4.105 175 HA THR 43 HA THR 43 -2.659 -20.574 -6.556 176 HB THR 43 HB THR 43 -3.746 -22.301 -4.993 177 HG1 THR 43 HG1 THR 43 -3.331 -21.205 -3.009 178 HG21 THR 43 HG21 THR 43 -1.861 -22.917 -6.424 179 HG22 THR 43 HG22 THR 43 -1.753 -23.750 -4.872 180 HG23 THR 43 HG23 THR 43 -0.721 -22.355 -5.199 181 H GLY 44 HN GLY 44 -4.373 -19.422 -7.141 182 HA2 GLY 44 HA2 GLY 44 -6.020 -17.909 -5.296 183 HA3 GLY 44 HA1 GLY 44 -6.248 -18.079 -7.036 184 H ARG 45 HN ARG 45 -6.404 -20.016 -4.063 185 HA ARG 45 HA ARG 45 -7.858 -22.178 -5.153 186 HB2 ARG 45 HB2 ARG 45 -6.407 -22.300 -3.122 187 HB3 ARG 45 HB1 ARG 45 -7.584 -21.343 -2.231 188 HG2 ARG 45 HG2 ARG 45 -9.260 -23.169 -2.555 189 HG3 ARG 45 HG1 ARG 45 -8.018 -24.124 -3.368 190 HD2 ARG 45 HD2 ARG 45 -6.649 -24.039 -1.282 191 HD3 ARG 45 HD1 ARG 45 -7.976 -23.186 -0.483 192 HE ARG 45 HE ARG 45 -9.244 -25.382 -1.332 193 HH11 ARG 45 HH11 ARG 45 -6.117 -25.132 0.251 194 HH12 ARG 45 HH12 ARG 45 -6.270 -26.657 1.055 195 HH21 ARG 45 HH21 ARG 45 -9.414 -27.406 -0.283 196 HH22 ARG 45 HH22 ARG 45 -8.135 -27.937 0.761 197 H PHE 46 HN PHE 46 -9.732 -21.616 -6.138 198 HA PHE 46 HA PHE 46 -11.885 -21.080 -6.514 199 HB2 PHE 46 HB2 PHE 46 -12.239 -22.607 -4.538 200 HB3 PHE 46 HB1 PHE 46 -12.256 -21.200 -3.485 201 HD1 PHE 46 HD2 PHE 46 -13.948 -22.203 -6.714 202 HD2 PHE 46 HD1 PHE 46 -14.425 -20.638 -2.762 203 HE1 PHE 46 HE2 PHE 46 -16.374 -22.015 -7.076 204 HE2 PHE 46 HE1 PHE 46 -16.851 -20.452 -3.136 205 HZ PHE 46 HZ PHE 46 -17.829 -21.144 -5.292 206 H ASN 47 HN ASN 47 -9.795 -18.993 -5.700 207 HA ASN 47 HA ASN 47 -11.431 -16.674 -4.969 208 HB2 ASN 47 HB2 ASN 47 -8.446 -17.043 -5.481 209 HB3 ASN 47 HB1 ASN 47 -9.160 -15.450 -5.285 210 HD21 ASN 47 HD21 ASN 47 -10.126 -18.316 -3.441 211 HD22 ASN 47 HD22 ASN 47 -9.540 -17.744 -1.929 212 H ALA 48 HN ALA 48 -11.541 -14.823 -6.301 213 HA ALA 48 HA ALA 48 -11.931 -15.335 -9.101 214 HB1 ALA 48 HB1 ALA 48 -12.602 -12.976 -9.210 215 HB2 ALA 48 HB2 ALA 48 -11.996 -12.705 -7.574 216 HB3 ALA 48 HB3 ALA 48 -13.374 -13.774 -7.841 217 H ILE 49 HN ILE 49 -10.910 -14.005 -10.792 218 HA ILE 49 HA ILE 49 -8.117 -14.318 -10.841 219 HB ILE 49 HB ILE 49 -9.438 -14.358 -12.912 220 HG12 ILE 49 HG12 ILE 49 -7.989 -12.925 -14.388 221 HG13 ILE 49 HG11 ILE 49 -7.388 -12.083 -12.964 222 HG21 ILE 49 HG21 ILE 49 -11.142 -12.698 -12.381 223 HG22 ILE 49 HG22 ILE 49 -10.388 -12.319 -13.932 224 HG23 ILE 49 HG23 ILE 49 -9.947 -11.400 -12.490 225 HD11 ILE 49 HD11 ILE 49 -6.990 -15.009 -13.596 226 HD12 ILE 49 HD12 ILE 49 -6.366 -14.169 -12.172 227 HD13 ILE 49 HD13 ILE 49 -5.797 -13.726 -13.781 228 H GLY 50 HN GLY 50 -10.128 -11.471 -10.168 229 HA2 GLY 50 HA2 GLY 50 -8.102 -9.489 -10.069 230 HA3 GLY 50 HA1 GLY 50 -9.679 -9.397 -9.292 231 H ASP 51 HN ASP 51 -9.391 -11.695 -7.624 232 HA ASP 51 HA ASP 51 -7.992 -10.640 -5.369 233 HB2 ASP 51 HB2 ASP 51 -9.264 -13.360 -5.872 234 HB3 ASP 51 HB1 ASP 51 -8.516 -12.925 -4.333 235 H ALA 52 HN ALA 52 -7.269 -13.119 -7.777 236 HA ALA 52 HA ALA 52 -4.850 -14.101 -6.634 237 HB1 ALA 52 HB1 ALA 52 -6.087 -15.386 -8.344 238 HB2 ALA 52 HB2 ALA 52 -4.420 -15.100 -8.851 239 HB3 ALA 52 HB3 ALA 52 -5.733 -14.144 -9.547 240 H VAL 53 HN VAL 53 -5.565 -11.566 -9.048 241 HA VAL 53 HA VAL 53 -2.893 -10.754 -9.535 242 HB VAL 53 HB VAL 53 -5.496 -9.204 -9.888 243 HG11 VAL 53 HG11 VAL 53 -2.722 -8.465 -10.915 244 HG12 VAL 53 HG12 VAL 53 -3.643 -7.591 -9.688 245 HG13 VAL 53 HG13 VAL 53 -4.224 -7.646 -11.352 246 HG21 VAL 53 HG21 VAL 53 -5.321 -11.220 -11.310 247 HG22 VAL 53 HG22 VAL 53 -3.768 -10.662 -11.932 248 HG23 VAL 53 HG23 VAL 53 -5.239 -9.755 -12.290 249 H SER 54 HN SER 54 -5.277 -9.829 -7.101 250 HA SER 54 HA SER 54 -3.849 -7.627 -5.986 251 HB2 SER 54 HB2 SER 54 -6.303 -7.974 -5.659 252 HB3 SER 54 HB1 SER 54 -5.959 -9.387 -4.664 253 HG SER 54 HG SER 54 -4.610 -7.132 -3.864 254 H ALA 55 HN ALA 55 -3.982 -11.101 -5.243 255 HA ALA 55 HA ALA 55 -2.430 -10.976 -2.839 256 HB1 ALA 55 HB1 ALA 55 -2.442 -13.436 -2.949 257 HB2 ALA 55 HB2 ALA 55 -3.087 -13.363 -4.594 258 HB3 ALA 55 HB3 ALA 55 -4.052 -12.772 -3.240 259 H VAL 56 HN VAL 56 -1.671 -11.569 -6.236 260 HA VAL 56 HA VAL 56 1.052 -12.382 -5.775 261 HB VAL 56 HB VAL 56 -0.449 -13.057 -7.758 262 HG11 VAL 56 HG11 VAL 56 -1.226 -10.862 -8.465 263 HG12 VAL 56 HG12 VAL 56 -0.395 -11.681 -9.786 264 HG13 VAL 56 HG13 VAL 56 0.416 -10.391 -8.894 265 HG21 VAL 56 HG21 VAL 56 1.435 -13.313 -9.303 266 HG22 VAL 56 HG22 VAL 56 1.917 -13.659 -7.641 267 HG23 VAL 56 HG23 VAL 56 2.358 -12.121 -8.383 268 H SER 57 HN SER 57 -0.611 -9.339 -6.484 269 HA SER 57 HA SER 57 1.737 -7.726 -6.916 270 HB2 SER 57 HB2 SER 57 -1.053 -6.893 -6.015 271 HB3 SER 57 HB1 SER 57 0.206 -5.797 -6.600 272 HG SER 57 HG SER 57 -0.570 -7.968 -8.186 273 H ARG 58 HN ARG 58 -0.226 -8.624 -4.153 274 HA ARG 58 HA ARG 58 0.865 -7.016 -2.126 275 HB2 ARG 58 HB2 ARG 58 -1.220 -8.275 -1.812 276 HB3 ARG 58 HB1 ARG 58 -0.381 -9.803 -2.023 277 HG2 ARG 58 HG2 ARG 58 -0.926 -9.437 0.324 278 HG3 ARG 58 HG1 ARG 58 0.828 -9.452 0.100 279 HD2 ARG 58 HD2 ARG 58 0.861 -6.990 0.170 280 HD3 ARG 58 HD1 ARG 58 -0.897 -6.963 0.367 281 HE ARG 58 HE ARG 58 0.010 -8.524 2.432 282 HH11 ARG 58 HH11 ARG 58 0.743 -5.244 1.393 283 HH12 ARG 58 HH12 ARG 58 0.990 -4.681 3.015 284 HH21 ARG 58 HH21 ARG 58 0.320 -7.761 4.540 285 HH22 ARG 58 HH22 ARG 58 0.730 -6.093 4.791 286 H ARG 59 HN ARG 59 1.600 -10.402 -2.995 287 HA ARG 59 HA ARG 59 3.741 -10.805 -1.236 288 HB2 ARG 59 HB2 ARG 59 2.594 -12.697 -2.295 289 HB3 ARG 59 HB1 ARG 59 3.140 -12.186 -3.885 290 HG2 ARG 59 HG2 ARG 59 4.471 -14.079 -3.134 291 HG3 ARG 59 HG1 ARG 59 5.485 -12.640 -3.238 292 HD2 ARG 59 HD2 ARG 59 5.021 -12.382 -0.692 293 HD3 ARG 59 HD1 ARG 59 4.456 -14.054 -0.766 294 HE ARG 59 HE ARG 59 7.197 -13.077 -1.220 295 HH11 ARG 59 HH11 ARG 59 5.055 -15.846 -0.879 296 HH12 ARG 59 HH12 ARG 59 6.356 -16.972 -0.665 297 HH21 ARG 59 HH21 ARG 59 8.889 -14.551 -0.962 298 HH22 ARG 59 HH22 ARG 59 8.539 -16.236 -0.721 299 H ALA 60 HN ALA 60 3.759 -9.769 -4.655 300 HA ALA 60 HA ALA 60 6.546 -9.724 -5.058 301 HB1 ALA 60 HB1 ALA 60 6.065 -8.272 -6.990 302 HB2 ALA 60 HB2 ALA 60 4.415 -8.043 -6.401 303 HB3 ALA 60 HB3 ALA 60 4.955 -9.640 -6.909 304 H ASP 61 HN ASP 61 4.338 -7.191 -3.882 305 HA ASP 61 HA ASP 61 6.219 -5.086 -3.635 306 HB2 ASP 61 HB2 ASP 61 3.818 -4.646 -3.628 307 HB3 ASP 61 HB1 ASP 61 3.597 -5.631 -2.185 308 H GLU 62 HN GLU 62 5.241 -7.692 -1.446 309 HA GLU 62 HA GLU 62 6.839 -6.852 0.797 310 HB2 GLU 62 HB2 GLU 62 5.537 -9.544 0.190 311 HB3 GLU 62 HB1 GLU 62 6.251 -9.094 1.740 312 HG2 GLU 62 HG2 GLU 62 4.579 -7.316 2.011 313 HG3 GLU 62 HG1 GLU 62 3.875 -7.709 0.444 314 H GLU 63 HN GLU 63 7.490 -8.627 -2.105 315 HA GLU 63 HA GLU 63 10.044 -9.739 -1.239 316 HB2 GLU 63 HB2 GLU 63 8.711 -9.544 -3.976 317 HB3 GLU 63 HB1 GLU 63 10.288 -10.290 -3.715 318 HG2 GLU 63 HG2 GLU 63 7.693 -11.220 -2.445 319 HG3 GLU 63 HG1 GLU 63 8.402 -11.905 -3.904 320 H GLY 64 HN GLY 64 8.969 -6.669 -2.041 321 HA2 GLY 64 HA2 GLY 64 10.141 -4.694 -2.291 322 HA3 GLY 64 HA1 GLY 64 11.643 -5.602 -2.357 323 H ALA 65 HN ALA 65 9.277 -6.745 -4.502 324 HA ALA 65 HA ALA 65 10.659 -5.871 -6.871 325 HB1 ALA 65 HB1 ALA 65 9.606 -8.098 -6.758 326 HB2 ALA 65 HB2 ALA 65 8.945 -7.144 -8.087 327 HB3 ALA 65 HB3 ALA 65 8.016 -7.345 -6.597 328 H ALA 66 HN ALA 66 10.156 -4.252 -8.179 329 HA ALA 66 HA ALA 66 8.233 -2.235 -7.438 330 HB1 ALA 66 HB1 ALA 66 9.145 -1.017 -9.379 331 HB2 ALA 66 HB2 ALA 66 10.037 -2.458 -9.882 332 HB3 ALA 66 HB3 ALA 66 10.443 -1.646 -8.365 333 H SER 67 HN SER 67 8.570 -4.742 -9.886 334 HA SER 67 HA SER 67 5.781 -4.362 -10.778 335 HB2 SER 67 HB2 SER 67 8.168 -4.798 -12.641 336 HB3 SER 67 HB1 SER 67 6.480 -4.627 -13.126 337 HG SER 67 HG SER 67 8.326 -2.711 -12.554 338 H PHE 68 HN PHE 68 5.005 -6.293 -12.033 339 HA PHE 68 HA PHE 68 6.509 -8.793 -11.787 340 HB2 PHE 68 HB2 PHE 68 4.814 -10.038 -10.627 341 HB3 PHE 68 HB1 PHE 68 5.001 -8.563 -9.690 342 HD1 PHE 68 HD2 PHE 68 3.222 -6.763 -9.835 343 HD2 PHE 68 HD1 PHE 68 2.706 -10.579 -11.708 344 HE1 PHE 68 HE2 PHE 68 0.810 -6.334 -10.072 345 HE2 PHE 68 HE1 PHE 68 0.301 -10.128 -11.948 346 HZ PHE 68 HZ PHE 68 -0.649 -8.016 -11.128 347 H TYR 69 HN TYR 69 5.635 -10.447 -13.221 348 HA TYR 69 HA TYR 69 3.440 -9.727 -14.997 349 HB2 TYR 69 HB2 TYR 69 5.471 -8.982 -16.221 350 HB3 TYR 69 HB1 TYR 69 6.183 -10.582 -16.052 351 HD1 TYR 69 HD1 TYR 69 3.193 -8.828 -17.480 352 HD2 TYR 69 HD2 TYR 69 5.789 -12.210 -17.766 353 HE1 TYR 69 HE1 TYR 69 2.066 -9.515 -19.544 354 HE2 TYR 69 HE2 TYR 69 4.657 -12.901 -19.844 355 HH TYR 69 HH TYR 69 2.399 -12.575 -20.890 356 H VAL 70 HN VAL 70 2.071 -11.370 -14.897 357 HA VAL 70 HA VAL 70 2.728 -13.983 -13.960 358 HB VAL 70 HB VAL 70 0.169 -13.020 -15.324 359 HG11 VAL 70 HG11 VAL 70 -0.908 -14.999 -14.278 360 HG12 VAL 70 HG12 VAL 70 0.662 -15.541 -13.681 361 HG13 VAL 70 HG13 VAL 70 0.354 -15.472 -15.418 362 HG21 VAL 70 HG21 VAL 70 0.806 -13.241 -12.351 363 HG22 VAL 70 HG22 VAL 70 -0.756 -12.784 -13.038 364 HG23 VAL 70 HG23 VAL 70 0.649 -11.739 -13.268 365 H VAL 71 HN VAL 71 3.862 -15.360 -15.145 366 HA VAL 71 HA VAL 71 3.720 -15.376 -18.078 367 HB VAL 71 HB VAL 71 5.660 -16.882 -18.001 368 HG11 VAL 71 HG11 VAL 71 6.036 -14.470 -16.181 369 HG12 VAL 71 HG12 VAL 71 6.083 -14.457 -17.946 370 HG13 VAL 71 HG13 VAL 71 7.322 -15.326 -17.039 371 HG21 VAL 71 HG21 VAL 71 6.754 -17.514 -15.862 372 HG22 VAL 71 HG22 VAL 71 5.121 -18.173 -15.966 373 HG23 VAL 71 HG23 VAL 71 5.436 -16.756 -14.962 374 H ASP 72 HN ASP 72 2.576 -17.183 -15.334 375 HA ASP 72 HA ASP 72 1.476 -19.315 -17.040 376 HB2 ASP 72 HB2 ASP 72 3.746 -20.050 -16.181 377 HB3 ASP 72 HB1 ASP 72 3.145 -19.879 -14.545 378 H THR 73 HN THR 73 -0.570 -19.690 -16.468 379 HA THR 73 HA THR 73 -1.298 -19.809 -13.613 380 HB THR 73 HB THR 73 -3.720 -19.297 -14.405 381 HG1 THR 73 HG1 THR 73 -3.874 -18.065 -16.318 382 HG21 THR 73 HG21 THR 73 -2.453 -17.680 -13.041 383 HG22 THR 73 HG22 THR 73 -3.450 -16.851 -14.239 384 HG23 THR 73 HG23 THR 73 -1.714 -17.020 -14.502 385 H SER 74 HN SER 74 -1.450 -21.906 -13.226 386 HA SER 74 HA SER 74 -2.677 -23.748 -15.196 387 HB2 SER 74 HB2 SER 74 -0.254 -24.204 -14.755 388 HB3 SER 74 HB1 SER 74 -0.606 -24.387 -13.038 389 HG SER 74 HG SER 74 -1.197 -26.090 -15.186 390 H GLU 75 HN GLU 75 -3.589 -25.754 -13.925 391 HA GLU 75 HA GLU 75 -4.892 -25.010 -11.397 392 HB2 GLU 75 HB2 GLU 75 -7.133 -25.578 -12.191 393 HB3 GLU 75 HB1 GLU 75 -6.471 -24.305 -13.211 394 HG2 GLU 75 HG2 GLU 75 -6.627 -27.255 -13.953 395 HG3 GLU 75 HG1 GLU 75 -7.756 -26.014 -14.478 396 H PHE 76 HN PHE 76 -5.662 -26.844 -10.184 397 HA PHE 76 HA PHE 76 -4.535 -29.432 -11.054 398 HB2 PHE 76 HB2 PHE 76 -3.947 -28.459 -8.757 399 HB3 PHE 76 HB1 PHE 76 -5.618 -28.735 -8.284 400 HD1 PHE 76 HD2 PHE 76 -2.578 -30.475 -9.579 401 HD2 PHE 76 HD1 PHE 76 -6.260 -30.875 -7.440 402 HE1 PHE 76 HE2 PHE 76 -1.989 -32.788 -8.994 403 HE2 PHE 76 HE1 PHE 76 -5.661 -33.189 -6.864 404 HZ PHE 76 HZ PHE 76 -3.528 -34.152 -7.640 405 H GLY 77 HN GLY 77 -6.154 -29.804 -12.606 406 HA2 GLY 77 HA2 GLY 77 -8.092 -30.664 -13.463 407 HA3 GLY 77 HA1 GLY 77 -8.332 -31.400 -11.887 408 H ASN 78 HN ASN 78 -10.225 -30.873 -10.992 409 HA ASN 78 HA ASN 78 -11.255 -28.097 -11.180 410 HB2 ASN 78 HB2 ASN 78 -12.559 -29.743 -12.622 411 HB3 ASN 78 HB1 ASN 78 -12.976 -30.626 -11.165 412 HD21 ASN 78 HD21 ASN 78 -14.583 -29.796 -9.806 413 HD22 ASN 78 HD22 ASN 78 -15.562 -28.436 -10.221 414 H SER 79 HN SER 79 -9.499 -29.021 -9.266 415 HA SER 79 HA SER 79 -10.958 -29.660 -6.808 416 HB2 SER 79 HB2 SER 79 -8.747 -30.716 -7.305 417 HB3 SER 79 HB1 SER 79 -7.982 -29.130 -7.244 418 HG SER 79 HG SER 79 -8.469 -29.002 -5.062 419 H GLY 80 HN GLY 80 -10.396 -26.852 -8.521 420 HA2 GLY 80 HA2 GLY 80 -11.191 -24.740 -7.907 421 HA3 GLY 80 HA1 GLY 80 -11.097 -25.178 -6.211 422 H ASN 81 HN ASN 81 -8.329 -26.085 -6.347 423 HA ASN 81 HA ASN 81 -7.022 -23.533 -6.032 424 HB2 ASN 81 HB2 ASN 81 -5.034 -24.939 -5.318 425 HB3 ASN 81 HB1 ASN 81 -6.489 -25.154 -4.369 426 HD21 ASN 81 HD21 ASN 81 -4.225 -26.694 -6.497 427 HD22 ASN 81 HD22 ASN 81 -4.851 -28.293 -6.315 428 H TRP 82 HN TRP 82 -6.955 -22.638 -8.061 429 HA TRP 82 HA TRP 82 -5.120 -23.821 -10.034 430 HB2 TRP 82 HB2 TRP 82 -5.887 -21.996 -11.552 431 HB3 TRP 82 HB1 TRP 82 -7.202 -23.027 -11.019 432 HD1 TRP 82 HD1 TRP 82 -8.916 -21.906 -9.133 433 HE1 TRP 82 HE1 TRP 82 -9.646 -19.449 -8.852 434 HE3 TRP 82 HE3 TRP 82 -5.151 -19.622 -11.752 435 HZ2 TRP 82 HZ2 TRP 82 -8.757 -16.893 -9.629 436 HZ3 TRP 82 HZ3 TRP 82 -5.169 -17.167 -11.939 437 HH2 TRP 82 HH2 TRP 82 -6.935 -15.833 -10.899 438 H ARG 83 HN ARG 83 -3.097 -23.053 -10.282 439 HA ARG 83 HA ARG 83 -2.135 -21.149 -8.254 440 HB2 ARG 83 HB2 ARG 83 0.010 -22.217 -8.457 441 HB3 ARG 83 HB1 ARG 83 -1.202 -23.479 -8.363 442 HG2 ARG 83 HG2 ARG 83 -0.172 -24.416 -10.145 443 HG3 ARG 83 HG1 ARG 83 -0.950 -23.164 -11.108 444 HD2 ARG 83 HD2 ARG 83 1.090 -21.716 -10.687 445 HD3 ARG 83 HD1 ARG 83 1.861 -23.131 -9.962 446 HE ARG 83 HE ARG 83 1.310 -22.645 -12.785 447 HH11 ARG 83 HH11 ARG 83 2.310 -25.095 -10.436 448 HH12 ARG 83 HH12 ARG 83 3.110 -26.056 -11.639 449 HH21 ARG 83 HH21 ARG 83 2.373 -23.886 -14.296 450 HH22 ARG 83 HH22 ARG 83 3.147 -25.369 -13.823 451 H VAL 84 HN VAL 84 -0.562 -19.573 -8.794 452 HA VAL 84 HA VAL 84 -0.522 -18.573 -11.580 453 HB VAL 84 HB VAL 84 -0.790 -16.843 -9.064 454 HG11 VAL 84 HG11 VAL 84 -0.794 -16.012 -11.985 455 HG12 VAL 84 HG12 VAL 84 0.503 -15.718 -10.826 456 HG13 VAL 84 HG13 VAL 84 -1.067 -14.937 -10.612 457 HG21 VAL 84 HG21 VAL 84 -2.916 -17.996 -9.515 458 HG22 VAL 84 HG22 VAL 84 -2.901 -17.409 -11.178 459 HG23 VAL 84 HG23 VAL 84 -3.062 -16.267 -9.842 460 H VAL 85 HN VAL 85 1.588 -18.851 -12.178 461 HA VAL 85 HA VAL 85 3.779 -18.116 -10.339 462 HB VAL 85 HB VAL 85 4.019 -19.265 -13.164 463 HG11 VAL 85 HG11 VAL 85 6.350 -19.797 -12.512 464 HG12 VAL 85 HG12 VAL 85 6.090 -19.024 -10.946 465 HG13 VAL 85 HG13 VAL 85 6.037 -18.061 -12.425 466 HG21 VAL 85 HG21 VAL 85 4.131 -20.751 -10.513 467 HG22 VAL 85 HG22 VAL 85 4.495 -21.447 -12.094 468 HG23 VAL 85 HG23 VAL 85 2.862 -20.887 -11.733 469 H ALA 86 HN ALA 86 4.299 -16.018 -10.365 470 HA ALA 86 HA ALA 86 4.302 -14.495 -12.904 471 HB1 ALA 86 HB1 ALA 86 3.578 -13.433 -10.146 472 HB2 ALA 86 HB2 ALA 86 2.439 -13.768 -11.452 473 HB3 ALA 86 HB3 ALA 86 3.644 -12.496 -11.644 474 H ASP 87 HN ASP 87 6.316 -13.982 -13.420 475 HA ASP 87 HA ASP 87 8.553 -13.976 -11.660 476 HB2 ASP 87 HB2 ASP 87 8.133 -12.953 -14.492 477 HB3 ASP 87 HB1 ASP 87 9.695 -12.892 -13.682 478 H VAL 88 HN VAL 88 9.736 -12.172 -10.891 479 HA VAL 88 HA VAL 88 8.164 -9.677 -10.649 480 HB VAL 88 HB VAL 88 9.347 -9.385 -8.408 481 HG11 VAL 88 HG11 VAL 88 7.477 -11.775 -8.663 482 HG12 VAL 88 HG12 VAL 88 6.989 -10.080 -8.553 483 HG13 VAL 88 HG13 VAL 88 7.791 -10.855 -7.187 484 HG21 VAL 88 HG21 VAL 88 11.188 -11.011 -8.729 485 HG22 VAL 88 HG22 VAL 88 10.022 -12.337 -8.742 486 HG23 VAL 88 HG23 VAL 88 10.253 -11.376 -7.278 487 H TYR 89 HN TYR 89 9.179 -7.746 -10.863 488 HA TYR 89 HA TYR 89 11.860 -7.746 -12.130 489 HB2 TYR 89 HB2 TYR 89 9.333 -6.300 -13.086 490 HB3 TYR 89 HB1 TYR 89 10.934 -6.072 -13.771 491 HD1 TYR 89 HD1 TYR 89 8.333 -8.726 -13.212 492 HD2 TYR 89 HD2 TYR 89 11.577 -7.376 -15.650 493 HE1 TYR 89 HE1 TYR 89 7.850 -10.501 -14.840 494 HE2 TYR 89 HE2 TYR 89 11.089 -9.158 -17.275 495 HH TYR 89 HH TYR 89 8.213 -11.022 -17.160 496 H LYS 90 HN LYS 90 12.740 -5.528 -12.348 497 HA LYS 90 HA LYS 90 12.159 -3.737 -10.098 498 HB2 LYS 90 HB2 LYS 90 14.371 -3.721 -12.204 499 HB3 LYS 90 HB1 LYS 90 14.170 -2.442 -11.020 500 HG2 LYS 90 HG2 LYS 90 15.918 -3.844 -10.223 501 HG3 LYS 90 HG1 LYS 90 14.516 -4.150 -9.203 502 HD2 LYS 90 HD2 LYS 90 14.065 -6.244 -10.451 503 HD3 LYS 90 HD1 LYS 90 15.456 -5.924 -11.490 504 HE2 LYS 90 HE2 LYS 90 15.600 -6.347 -8.482 505 HE3 LYS 90 HE1 LYS 90 15.947 -7.577 -9.695 506 HZ1 LYS 90 HZ1 LYS 90 17.748 -6.188 -10.528 507 HZ2 LYS 90 HZ2 LYS 90 17.969 -6.566 -8.896 508 HZ3 LYS 90 HZ3 LYS 90 17.429 -5.031 -9.340 509 H ALA 91 HN ALA 91 12.322 -1.291 -10.839 510 HA ALA 91 HA ALA 91 11.052 -0.764 -13.441 511 HB1 ALA 91 HB1 ALA 91 9.545 0.920 -12.461 512 HB2 ALA 91 HB2 ALA 91 10.126 0.512 -10.844 513 HB3 ALA 91 HB3 ALA 91 9.228 -0.681 -11.784 Start of MODEL 7 1 H HIS 21 HT1 HIS 21 1.375 0.470 0.145 2 HA HIS 21 HA HIS 21 0.952 0.288 -2.209 3 HB2 HIS 21 HB2 HIS 21 3.719 -0.699 -1.406 4 HB3 HIS 21 HB1 HIS 21 3.316 -0.011 -2.974 5 HD1 HIS 21 HD1 HIS 21 2.054 2.561 -2.544 6 HD2 HIS 21 HD2 HIS 21 4.933 1.181 0.113 7 HE1 HIS 21 HE1 HIS 21 2.908 4.593 -1.367 8 HE2 HIS 21 HE2 HIS 21 4.762 3.755 0.112 9 H ALA 22 HN ALA 22 1.802 -1.033 -4.167 10 HA ALA 22 HA ALA 22 1.603 -3.916 -3.983 11 HB1 ALA 22 HB1 ALA 22 -0.783 -3.265 -3.771 12 HB2 ALA 22 HB2 ALA 22 -0.488 -4.077 -5.305 13 HB3 ALA 22 HB3 ALA 22 -0.671 -2.323 -5.260 14 H ALA 23 HN ALA 23 2.677 -4.769 -5.730 15 HA ALA 23 HA ALA 23 4.227 -3.069 -7.392 16 HB1 ALA 23 HB1 ALA 23 3.798 -6.069 -7.633 17 HB2 ALA 23 HB2 ALA 23 5.015 -5.274 -6.633 18 HB3 ALA 23 HB3 ALA 23 5.099 -5.140 -8.390 19 H THR 24 HN THR 24 4.013 -2.470 -9.510 20 HA THR 24 HA THR 24 1.417 -2.383 -10.660 21 HB THR 24 HB THR 24 4.086 -1.700 -11.982 22 HG1 THR 24 HG1 THR 24 3.656 0.405 -11.148 23 HG21 THR 24 HG21 THR 24 2.191 -1.763 -13.573 24 HG22 THR 24 HG22 THR 24 2.742 -0.108 -13.322 25 HG23 THR 24 HG23 THR 24 1.268 -0.674 -12.533 26 H GLU 25 HN GLU 25 0.459 -3.776 -12.100 27 HA GLU 25 HA GLU 25 1.714 -6.208 -12.928 28 HB2 GLU 25 HB2 GLU 25 -0.756 -5.956 -12.531 29 HB3 GLU 25 HB1 GLU 25 -0.858 -4.943 -13.968 30 HG2 GLU 25 HG2 GLU 25 -0.078 -6.863 -15.346 31 HG3 GLU 25 HG1 GLU 25 -0.052 -7.867 -13.893 32 H LEU 26 HN LEU 26 3.048 -6.446 -14.598 33 HA LEU 26 HA LEU 26 3.614 -4.212 -16.390 34 HB2 LEU 26 HB2 LEU 26 5.410 -5.305 -14.962 35 HB3 LEU 26 HB1 LEU 26 5.215 -6.760 -15.923 36 HG LEU 26 HG LEU 26 5.972 -5.520 -17.950 37 HD11 LEU 26 HD11 LEU 26 5.241 -3.252 -17.373 38 HD12 LEU 26 HD12 LEU 26 6.965 -3.269 -17.735 39 HD13 LEU 26 HD13 LEU 26 6.423 -3.182 -16.059 40 HD21 LEU 26 HD21 LEU 26 7.912 -5.351 -15.615 41 HD22 LEU 26 HD22 LEU 26 8.349 -5.337 -17.325 42 HD23 LEU 26 HD23 LEU 26 7.618 -6.776 -16.618 43 H THR 27 HN THR 27 3.514 -4.375 -18.613 44 HA THR 27 HA THR 27 1.690 -6.264 -19.756 45 HB THR 27 HB THR 27 2.239 -5.063 -21.923 46 HG1 THR 27 HG1 THR 27 3.523 -2.956 -21.081 47 HG21 THR 27 HG21 THR 27 1.227 -2.908 -21.314 48 HG22 THR 27 HG22 THR 27 1.559 -3.210 -19.609 49 HG23 THR 27 HG23 THR 27 0.409 -4.229 -20.479 50 HA PRO 28 HA PRO 28 4.382 -9.614 -20.953 51 HB2 PRO 28 HB2 PRO 28 3.433 -10.200 -23.537 52 HB3 PRO 28 HB1 PRO 28 2.705 -10.760 -22.024 53 HG2 PRO 28 HG2 PRO 28 1.966 -8.375 -23.720 54 HG3 PRO 28 HG1 PRO 28 0.903 -9.579 -22.955 55 HD2 PRO 28 HD2 PRO 28 1.218 -7.180 -21.847 56 HD3 PRO 28 HD1 PRO 28 1.170 -8.628 -20.812 57 H GLU 29 HN GLU 29 4.106 -6.983 -23.345 58 HA GLU 29 HA GLU 29 6.446 -7.652 -24.845 59 HB2 GLU 29 HB2 GLU 29 4.901 -5.048 -24.599 60 HB3 GLU 29 HB1 GLU 29 6.218 -5.302 -25.747 61 HG2 GLU 29 HG2 GLU 29 4.912 -7.130 -26.815 62 HG3 GLU 29 HG1 GLU 29 3.593 -6.838 -25.677 63 H GLN 30 HN GLN 30 5.820 -5.302 -22.242 64 HA GLN 30 HA GLN 30 8.520 -4.352 -22.073 65 HB2 GLN 30 HB2 GLN 30 6.146 -4.017 -20.215 66 HB3 GLN 30 HB1 GLN 30 7.713 -3.259 -19.934 67 HG2 GLN 30 HG2 GLN 30 5.946 -2.784 -22.358 68 HG3 GLN 30 HG1 GLN 30 6.085 -1.717 -20.958 69 HE21 GLN 30 HE21 GLN 30 8.057 -0.567 -20.631 70 HE22 GLN 30 HE22 GLN 30 9.170 -0.310 -21.927 71 H ALA 31 HN ALA 31 6.786 -6.992 -20.680 72 HA ALA 31 HA ALA 31 8.608 -7.627 -18.549 73 HB1 ALA 31 HB1 ALA 31 7.348 -9.740 -18.425 74 HB2 ALA 31 HB2 ALA 31 6.514 -9.338 -19.928 75 HB3 ALA 31 HB3 ALA 31 6.265 -8.348 -18.486 76 H ALA 32 HN ALA 32 8.179 -8.557 -21.922 77 HA ALA 32 HA ALA 32 10.273 -10.519 -22.042 78 HB1 ALA 32 HB1 ALA 32 9.940 -10.409 -24.483 79 HB2 ALA 32 HB2 ALA 32 8.909 -8.989 -24.281 80 HB3 ALA 32 HB3 ALA 32 8.396 -10.547 -23.634 81 H ALA 33 HN ALA 33 10.055 -7.038 -22.426 82 HA ALA 33 HA ALA 33 12.640 -6.585 -23.581 83 HB1 ALA 33 HB1 ALA 33 12.241 -4.219 -23.014 84 HB2 ALA 33 HB2 ALA 33 10.841 -4.678 -22.039 85 HB3 ALA 33 HB3 ALA 33 10.821 -4.935 -23.784 86 H LEU 34 HN LEU 34 11.337 -6.387 -20.259 87 HA LEU 34 HA LEU 34 13.928 -5.810 -19.075 88 HB2 LEU 34 HB2 LEU 34 11.214 -6.320 -17.808 89 HB3 LEU 34 HB1 LEU 34 12.656 -5.858 -16.912 90 HG LEU 34 HG LEU 34 11.201 -4.147 -18.980 91 HD11 LEU 34 HD11 LEU 34 10.632 -2.687 -17.080 92 HD12 LEU 34 HD12 LEU 34 11.412 -3.814 -15.966 93 HD13 LEU 34 HD13 LEU 34 9.977 -4.310 -16.867 94 HD21 LEU 34 HD21 LEU 34 12.787 -2.341 -18.373 95 HD22 LEU 34 HD22 LEU 34 13.614 -3.712 -19.104 96 HD23 LEU 34 HD23 LEU 34 13.691 -3.470 -17.357 97 H LYS 35 HN LYS 35 14.519 -7.102 -17.052 98 HA LYS 35 HA LYS 35 14.340 -10.008 -17.588 99 HB2 LYS 35 HB2 LYS 35 16.724 -8.390 -16.598 100 HB3 LYS 35 HB1 LYS 35 16.672 -10.154 -16.634 101 HG2 LYS 35 HG2 LYS 35 16.469 -8.334 -19.065 102 HG3 LYS 35 HG1 LYS 35 17.918 -9.194 -18.544 103 HD2 LYS 35 HD2 LYS 35 15.315 -10.517 -19.419 104 HD3 LYS 35 HD1 LYS 35 16.752 -10.333 -20.432 105 HE2 LYS 35 HE2 LYS 35 18.032 -11.693 -18.724 106 HE3 LYS 35 HE1 LYS 35 16.500 -11.985 -17.895 107 HZ1 LYS 35 HZ1 LYS 35 15.673 -13.058 -19.886 108 HZ2 LYS 35 HZ2 LYS 35 17.081 -13.813 -19.342 109 HZ3 LYS 35 HZ3 LYS 35 17.139 -12.779 -20.683 110 HA PRO 36 HA PRO 36 12.817 -9.889 -13.298 111 HB2 PRO 36 HB2 PRO 36 12.040 -12.474 -13.108 112 HB3 PRO 36 HB1 PRO 36 11.140 -11.301 -14.083 113 HG2 PRO 36 HG2 PRO 36 13.144 -13.377 -14.979 114 HG3 PRO 36 HG1 PRO 36 11.575 -12.951 -15.699 115 HD2 PRO 36 HD2 PRO 36 14.002 -11.985 -16.640 116 HD3 PRO 36 HD1 PRO 36 12.456 -11.128 -16.832 117 H TYR 37 HN TYR 37 13.951 -10.065 -11.453 118 HA TYR 37 HA TYR 37 16.489 -11.470 -11.344 119 HB2 TYR 37 HB2 TYR 37 16.870 -10.334 -9.252 120 HB3 TYR 37 HB1 TYR 37 16.139 -9.167 -10.338 121 HD1 TYR 37 HD1 TYR 37 13.438 -9.009 -10.105 122 HD2 TYR 37 HD2 TYR 37 16.054 -10.412 -7.025 123 HE1 TYR 37 HE1 TYR 37 11.736 -8.494 -8.421 124 HE2 TYR 37 HE2 TYR 37 14.332 -9.895 -5.343 125 HH TYR 37 HH TYR 37 12.387 -8.486 -5.074 126 H ASP 38 HN ASP 38 13.258 -11.828 -10.085 127 HA ASP 38 HA ASP 38 13.801 -14.509 -9.048 128 HB2 ASP 38 HB2 ASP 38 14.042 -12.867 -7.119 129 HB3 ASP 38 HB1 ASP 38 12.383 -12.355 -7.395 130 H ARG 39 HN ARG 39 11.605 -15.510 -8.443 131 HA ARG 39 HA ARG 39 9.326 -14.553 -10.046 132 HB2 ARG 39 HB2 ARG 39 10.565 -16.181 -11.457 133 HB3 ARG 39 HB1 ARG 39 10.548 -17.351 -10.139 134 HG2 ARG 39 HG2 ARG 39 7.927 -17.159 -10.351 135 HG3 ARG 39 HG1 ARG 39 8.283 -16.478 -11.942 136 HD2 ARG 39 HD2 ARG 39 7.884 -18.889 -12.138 137 HD3 ARG 39 HD1 ARG 39 9.577 -18.529 -12.498 138 HE ARG 39 HE ARG 39 9.992 -19.144 -10.060 139 HH11 ARG 39 HH11 ARG 39 7.529 -20.739 -11.979 140 HH12 ARG 39 HH12 ARG 39 7.477 -22.129 -10.947 141 HH21 ARG 39 HH21 ARG 39 9.906 -20.957 -8.739 142 HH22 ARG 39 HH22 ARG 39 8.824 -22.257 -9.125 143 H ILE 40 HN ILE 40 7.536 -14.654 -8.786 144 HA ILE 40 HA ILE 40 7.517 -16.361 -6.369 145 HB ILE 40 HB ILE 40 5.692 -14.940 -5.528 146 HG12 ILE 40 HG12 ILE 40 6.001 -13.343 -8.124 147 HG13 ILE 40 HG11 ILE 40 4.593 -14.293 -7.659 148 HG21 ILE 40 HG21 ILE 40 8.011 -14.294 -5.009 149 HG22 ILE 40 HG22 ILE 40 6.988 -12.867 -5.143 150 HG23 ILE 40 HG23 ILE 40 8.080 -13.293 -6.463 151 HD11 ILE 40 HD11 ILE 40 5.597 -11.821 -6.252 152 HD12 ILE 40 HD12 ILE 40 4.170 -12.763 -5.805 153 HD13 ILE 40 HD13 ILE 40 4.227 -11.922 -7.353 154 H VAL 41 HN VAL 41 5.459 -17.356 -5.807 155 HA VAL 41 HA VAL 41 3.584 -18.008 -7.935 156 HB VAL 41 HB VAL 41 5.182 -19.722 -8.425 157 HG11 VAL 41 HG11 VAL 41 5.396 -20.334 -5.457 158 HG12 VAL 41 HG12 VAL 41 6.619 -19.543 -6.450 159 HG13 VAL 41 HG13 VAL 41 6.205 -21.234 -6.743 160 HG21 VAL 41 HG21 VAL 41 3.105 -21.017 -6.608 161 HG22 VAL 41 HG22 VAL 41 4.005 -21.829 -7.892 162 HG23 VAL 41 HG23 VAL 41 2.851 -20.557 -8.292 163 H ILE 42 HN ILE 42 1.593 -18.278 -7.152 164 HA ILE 42 HA ILE 42 1.092 -18.838 -4.293 165 HB ILE 42 HB ILE 42 -0.779 -17.191 -4.274 166 HG12 ILE 42 HG12 ILE 42 0.277 -16.226 -6.979 167 HG13 ILE 42 HG11 ILE 42 -1.188 -17.175 -6.767 168 HG21 ILE 42 HG21 ILE 42 0.562 -15.115 -4.097 169 HG22 ILE 42 HG22 ILE 42 1.896 -15.901 -4.942 170 HG23 ILE 42 HG23 ILE 42 1.392 -16.485 -3.355 171 HD11 ILE 42 HD11 ILE 42 -0.705 -14.402 -5.702 172 HD12 ILE 42 HD12 ILE 42 -2.179 -15.351 -5.483 173 HD13 ILE 42 HD13 ILE 42 -1.687 -14.841 -7.098 174 H THR 43 HN THR 43 -1.211 -19.495 -3.943 175 HA THR 43 HA THR 43 -2.569 -20.735 -6.261 176 HB THR 43 HB THR 43 -3.203 -22.669 -4.612 177 HG1 THR 43 HG1 THR 43 -1.113 -21.400 -3.212 178 HG21 THR 43 HG21 THR 43 -0.357 -22.523 -5.668 179 HG22 THR 43 HG22 THR 43 -1.775 -23.057 -6.574 180 HG23 THR 43 HG23 THR 43 -1.207 -23.995 -5.193 181 H GLY 44 HN GLY 44 -4.552 -19.919 -6.388 182 HA2 GLY 44 HA2 GLY 44 -5.909 -18.805 -4.010 183 HA3 GLY 44 HA1 GLY 44 -6.269 -18.428 -5.687 184 H ARG 45 HN ARG 45 -7.324 -20.174 -3.028 185 HA ARG 45 HA ARG 45 -8.488 -22.453 -4.356 186 HB2 ARG 45 HB2 ARG 45 -7.850 -22.564 -1.976 187 HB3 ARG 45 HB1 ARG 45 -9.008 -21.302 -1.582 188 HG2 ARG 45 HG2 ARG 45 -9.959 -23.421 -0.929 189 HG3 ARG 45 HG1 ARG 45 -10.859 -22.824 -2.323 190 HD2 ARG 45 HD2 ARG 45 -10.480 -25.218 -2.553 191 HD3 ARG 45 HD1 ARG 45 -9.578 -24.348 -3.799 192 HE ARG 45 HE ARG 45 -7.770 -24.665 -1.781 193 HH11 ARG 45 HH11 ARG 45 -9.745 -26.962 -3.572 194 HH12 ARG 45 HH12 ARG 45 -8.569 -28.230 -3.441 195 HH21 ARG 45 HH21 ARG 45 -6.253 -26.327 -1.674 196 HH22 ARG 45 HH22 ARG 45 -6.609 -27.874 -2.372 197 H PHE 46 HN PHE 46 -9.705 -21.631 -6.023 198 HA PHE 46 HA PHE 46 -11.567 -21.101 -7.152 199 HB2 PHE 46 HB2 PHE 46 -12.670 -22.529 -5.402 200 HB3 PHE 46 HB1 PHE 46 -13.004 -21.081 -4.463 201 HD1 PHE 46 HD2 PHE 46 -13.585 -22.501 -7.903 202 HD2 PHE 46 HD1 PHE 46 -15.126 -20.051 -4.750 203 HE1 PHE 46 HE2 PHE 46 -15.683 -22.197 -9.150 204 HE2 PHE 46 HE1 PHE 46 -17.217 -19.750 -6.011 205 HZ PHE 46 HZ PHE 46 -17.500 -20.828 -8.209 206 H ASN 47 HN ASN 47 -9.843 -18.990 -5.714 207 HA ASN 47 HA ASN 47 -11.525 -16.735 -5.130 208 HB2 ASN 47 HB2 ASN 47 -8.510 -16.891 -5.573 209 HB3 ASN 47 HB1 ASN 47 -9.363 -15.501 -4.908 210 HD21 ASN 47 HD21 ASN 47 -11.201 -17.038 -3.229 211 HD22 ASN 47 HD22 ASN 47 -10.252 -17.685 -1.942 212 H ALA 48 HN ALA 48 -11.533 -14.696 -6.268 213 HA ALA 48 HA ALA 48 -11.851 -15.007 -9.108 214 HB1 ALA 48 HB1 ALA 48 -13.370 -13.573 -7.827 215 HB2 ALA 48 HB2 ALA 48 -12.538 -12.636 -9.071 216 HB3 ALA 48 HB3 ALA 48 -12.028 -12.516 -7.386 217 H ILE 49 HN ILE 49 -10.842 -13.522 -10.693 218 HA ILE 49 HA ILE 49 -8.038 -13.717 -10.697 219 HB ILE 49 HB ILE 49 -9.327 -13.607 -12.798 220 HG12 ILE 49 HG12 ILE 49 -7.860 -12.047 -14.106 221 HG13 ILE 49 HG11 ILE 49 -7.304 -11.315 -12.606 222 HG21 ILE 49 HG21 ILE 49 -9.845 -10.688 -12.153 223 HG22 ILE 49 HG22 ILE 49 -11.039 -11.984 -12.159 224 HG23 ILE 49 HG23 ILE 49 -10.261 -11.501 -13.665 225 HD11 ILE 49 HD11 ILE 49 -5.670 -12.841 -13.533 226 HD12 ILE 49 HD12 ILE 49 -6.832 -14.164 -13.479 227 HD13 ILE 49 HD13 ILE 49 -6.249 -13.436 -11.979 228 H GLY 50 HN GLY 50 -10.166 -11.096 -9.689 229 HA2 GLY 50 HA2 GLY 50 -8.288 -9.018 -9.337 230 HA3 GLY 50 HA1 GLY 50 -9.810 -9.192 -8.472 231 H ASP 51 HN ASP 51 -9.391 -11.574 -7.095 232 HA ASP 51 HA ASP 51 -7.892 -10.801 -4.808 233 HB2 ASP 51 HB2 ASP 51 -8.841 -13.599 -5.618 234 HB3 ASP 51 HB1 ASP 51 -8.190 -13.189 -4.035 235 H ALA 52 HN ALA 52 -7.235 -12.969 -7.513 236 HA ALA 52 HA ALA 52 -4.770 -14.062 -6.679 237 HB1 ALA 52 HB1 ALA 52 -5.855 -13.700 -9.494 238 HB2 ALA 52 HB2 ALA 52 -6.119 -15.096 -8.446 239 HB3 ALA 52 HB3 ALA 52 -4.499 -14.732 -9.042 240 H VAL 53 HN VAL 53 -5.489 -11.377 -8.905 241 HA VAL 53 HA VAL 53 -2.836 -10.633 -9.454 242 HB VAL 53 HB VAL 53 -5.403 -9.017 -9.767 243 HG11 VAL 53 HG11 VAL 53 -2.619 -8.310 -10.794 244 HG12 VAL 53 HG12 VAL 53 -3.529 -7.427 -9.568 245 HG13 VAL 53 HG13 VAL 53 -4.109 -7.464 -11.232 246 HG21 VAL 53 HG21 VAL 53 -3.704 -10.482 -11.829 247 HG22 VAL 53 HG22 VAL 53 -5.160 -9.545 -12.179 248 HG23 VAL 53 HG23 VAL 53 -5.270 -11.016 -11.212 249 H SER 54 HN SER 54 -5.119 -9.624 -6.943 250 HA SER 54 HA SER 54 -3.585 -7.463 -5.886 251 HB2 SER 54 HB2 SER 54 -5.996 -7.610 -5.464 252 HB3 SER 54 HB1 SER 54 -5.786 -9.133 -4.606 253 HG SER 54 HG SER 54 -4.512 -6.741 -3.772 254 H ALA 55 HN ALA 55 -3.692 -10.934 -5.231 255 HA ALA 55 HA ALA 55 -2.132 -10.873 -2.805 256 HB1 ALA 55 HB1 ALA 55 -3.771 -12.660 -3.219 257 HB2 ALA 55 HB2 ALA 55 -2.160 -13.336 -2.979 258 HB3 ALA 55 HB3 ALA 55 -2.836 -13.218 -4.608 259 H VAL 56 HN VAL 56 -1.478 -11.558 -6.215 260 HA VAL 56 HA VAL 56 1.294 -12.253 -5.813 261 HB VAL 56 HB VAL 56 -0.136 -13.220 -7.658 262 HG11 VAL 56 HG11 VAL 56 -1.310 -11.223 -8.385 263 HG12 VAL 56 HG12 VAL 56 -0.468 -11.966 -9.745 264 HG13 VAL 56 HG13 VAL 56 0.196 -10.520 -8.977 265 HG21 VAL 56 HG21 VAL 56 1.627 -13.272 -9.382 266 HG22 VAL 56 HG22 VAL 56 2.302 -13.449 -7.761 267 HG23 VAL 56 HG23 VAL 56 2.428 -11.903 -8.604 268 H SER 57 HN SER 57 -0.527 -9.349 -6.581 269 HA SER 57 HA SER 57 1.643 -7.624 -7.290 270 HB2 SER 57 HB2 SER 57 -0.710 -7.061 -7.826 271 HB3 SER 57 HB1 SER 57 -1.092 -6.929 -6.116 272 HG SER 57 HG SER 57 0.180 -5.176 -7.790 273 H ARG 58 HN ARG 58 -0.084 -8.335 -4.278 274 HA ARG 58 HA ARG 58 1.253 -6.680 -2.482 275 HB2 ARG 58 HB2 ARG 58 -0.739 -7.857 -1.725 276 HB3 ARG 58 HB1 ARG 58 -0.015 -9.423 -2.080 277 HG2 ARG 58 HG2 ARG 58 1.728 -8.880 -0.286 278 HG3 ARG 58 HG1 ARG 58 0.707 -7.512 0.164 279 HD2 ARG 58 HD2 ARG 58 -1.070 -8.976 0.855 280 HD3 ARG 58 HD1 ARG 58 -0.287 -10.381 0.118 281 HE ARG 58 HE ARG 58 1.581 -9.875 1.794 282 HH11 ARG 58 HH11 ARG 58 -1.797 -9.333 2.550 283 HH12 ARG 58 HH12 ARG 58 -1.580 -9.615 4.247 284 HH21 ARG 58 HH21 ARG 58 1.867 -10.206 3.985 285 HH22 ARG 58 HH22 ARG 58 0.508 -10.106 5.062 286 H ARG 59 HN ARG 59 1.870 -10.088 -3.290 287 HA ARG 59 HA ARG 59 4.083 -10.463 -1.624 288 HB2 ARG 59 HB2 ARG 59 2.710 -12.327 -2.444 289 HB3 ARG 59 HB1 ARG 59 3.260 -12.047 -4.089 290 HG2 ARG 59 HG2 ARG 59 4.367 -13.996 -2.987 291 HG3 ARG 59 HG1 ARG 59 5.510 -12.775 -3.543 292 HD2 ARG 59 HD2 ARG 59 6.073 -13.719 -1.293 293 HD3 ARG 59 HD1 ARG 59 5.847 -11.972 -1.274 294 HE ARG 59 HE ARG 59 3.829 -12.230 -0.107 295 HH11 ARG 59 HH11 ARG 59 5.293 -15.372 -0.669 296 HH12 ARG 59 HH12 ARG 59 4.437 -16.130 0.632 297 HH21 ARG 59 HH21 ARG 59 2.725 -13.233 1.589 298 HH22 ARG 59 HH22 ARG 59 2.975 -14.920 1.907 299 H ALA 60 HN ALA 60 3.900 -9.581 -5.066 300 HA ALA 60 HA ALA 60 6.660 -9.583 -5.678 301 HB1 ALA 60 HB1 ALA 60 6.037 -8.155 -7.589 302 HB2 ALA 60 HB2 ALA 60 4.450 -7.879 -6.863 303 HB3 ALA 60 HB3 ALA 60 4.906 -9.498 -7.390 304 H ASP 61 HN ASP 61 4.552 -7.044 -4.351 305 HA ASP 61 HA ASP 61 6.474 -4.942 -4.249 306 HB2 ASP 61 HB2 ASP 61 4.027 -4.549 -4.162 307 HB3 ASP 61 HB1 ASP 61 3.940 -5.383 -2.616 308 H GLU 62 HN GLU 62 5.572 -7.551 -2.023 309 HA GLU 62 HA GLU 62 7.105 -6.694 0.245 310 HB2 GLU 62 HB2 GLU 62 5.996 -9.448 -0.447 311 HB3 GLU 62 HB1 GLU 62 6.687 -9.013 1.117 312 HG2 GLU 62 HG2 GLU 62 4.890 -7.336 1.420 313 HG3 GLU 62 HG1 GLU 62 4.188 -7.806 -0.124 314 H GLU 63 HN GLU 63 7.791 -8.635 -2.607 315 HA GLU 63 HA GLU 63 10.369 -9.607 -1.777 316 HB2 GLU 63 HB2 GLU 63 9.212 -9.311 -4.583 317 HB3 GLU 63 HB1 GLU 63 10.690 -10.187 -4.184 318 HG2 GLU 63 HG2 GLU 63 7.863 -10.912 -3.364 319 HG3 GLU 63 HG1 GLU 63 8.853 -11.723 -4.565 320 H GLY 64 HN GLY 64 9.207 -6.554 -2.770 321 HA2 GLY 64 HA2 GLY 64 10.451 -4.555 -2.686 322 HA3 GLY 64 HA1 GLY 64 11.936 -5.460 -2.950 323 H ALA 65 HN ALA 65 9.656 -6.609 -5.077 324 HA ALA 65 HA ALA 65 10.894 -5.435 -7.384 325 HB1 ALA 65 HB1 ALA 65 9.339 -6.853 -8.661 326 HB2 ALA 65 HB2 ALA 65 8.459 -7.246 -7.179 327 HB3 ALA 65 HB3 ALA 65 10.132 -7.772 -7.378 328 H ALA 66 HN ALA 66 10.144 -3.892 -8.716 329 HA ALA 66 HA ALA 66 8.136 -2.012 -7.898 330 HB1 ALA 66 HB1 ALA 66 9.687 -2.235 -10.511 331 HB2 ALA 66 HB2 ALA 66 10.173 -1.306 -9.093 332 HB3 ALA 66 HB3 ALA 66 8.733 -0.836 -9.995 333 H SER 67 HN SER 67 8.309 -4.707 -10.101 334 HA SER 67 HA SER 67 5.473 -4.516 -10.785 335 HB2 SER 67 HB2 SER 67 7.724 -4.616 -12.857 336 HB3 SER 67 HB1 SER 67 6.012 -4.859 -13.227 337 HG SER 67 HG SER 67 5.941 -2.668 -11.966 338 H PHE 68 HN PHE 68 4.759 -6.436 -11.992 339 HA PHE 68 HA PHE 68 6.419 -8.851 -11.884 340 HB2 PHE 68 HB2 PHE 68 4.731 -10.204 -10.772 341 HB3 PHE 68 HB1 PHE 68 5.011 -8.804 -9.749 342 HD1 PHE 68 HD2 PHE 68 3.261 -6.990 -9.607 343 HD2 PHE 68 HD1 PHE 68 2.557 -10.604 -11.793 344 HE1 PHE 68 HE2 PHE 68 0.847 -6.508 -9.660 345 HE2 PHE 68 HE1 PHE 68 0.157 -10.097 -11.846 346 HZ PHE 68 HZ PHE 68 -0.702 -8.057 -10.781 347 H TYR 69 HN TYR 69 5.506 -10.527 -13.304 348 HA TYR 69 HA TYR 69 3.225 -9.783 -14.978 349 HB2 TYR 69 HB2 TYR 69 5.023 -9.112 -16.416 350 HB3 TYR 69 HB1 TYR 69 5.978 -10.541 -16.040 351 HD1 TYR 69 HD1 TYR 69 2.581 -9.700 -17.490 352 HD2 TYR 69 HD2 TYR 69 6.028 -12.226 -17.689 353 HE1 TYR 69 HE1 TYR 69 1.631 -10.850 -19.446 354 HE2 TYR 69 HE2 TYR 69 5.076 -13.362 -19.644 355 HH TYR 69 HH TYR 69 2.863 -13.781 -20.620 356 H VAL 70 HN VAL 70 1.817 -11.364 -14.708 357 HA VAL 70 HA VAL 70 2.442 -13.969 -13.766 358 HB VAL 70 HB VAL 70 -0.129 -12.974 -15.087 359 HG11 VAL 70 HG11 VAL 70 0.370 -15.514 -13.474 360 HG12 VAL 70 HG12 VAL 70 0.019 -15.432 -15.202 361 HG13 VAL 70 HG13 VAL 70 -1.209 -14.950 -14.033 362 HG21 VAL 70 HG21 VAL 70 0.426 -11.723 -13.025 363 HG22 VAL 70 HG22 VAL 70 0.584 -13.236 -12.131 364 HG23 VAL 70 HG23 VAL 70 -0.988 -12.750 -12.771 365 H VAL 71 HN VAL 71 3.423 -15.460 -14.888 366 HA VAL 71 HA VAL 71 3.570 -15.331 -17.804 367 HB VAL 71 HB VAL 71 5.400 -16.999 -17.571 368 HG11 VAL 71 HG11 VAL 71 5.723 -14.531 -15.816 369 HG12 VAL 71 HG12 VAL 71 5.936 -14.600 -17.568 370 HG13 VAL 71 HG13 VAL 71 7.041 -15.479 -16.511 371 HG21 VAL 71 HG21 VAL 71 4.653 -18.189 -15.536 372 HG22 VAL 71 HG22 VAL 71 4.949 -16.749 -14.562 373 HG23 VAL 71 HG23 VAL 71 6.301 -17.590 -15.327 374 H ASP 72 HN ASP 72 1.945 -17.158 -15.336 375 HA ASP 72 HA ASP 72 0.497 -18.706 -17.268 376 HB2 ASP 72 HB2 ASP 72 2.684 -19.988 -17.051 377 HB3 ASP 72 HB1 ASP 72 2.314 -20.263 -15.359 378 H THR 73 HN THR 73 -1.497 -19.164 -16.457 379 HA THR 73 HA THR 73 -1.871 -19.538 -13.528 380 HB THR 73 HB THR 73 -4.298 -18.869 -13.930 381 HG1 THR 73 HG1 THR 73 -4.289 -19.149 -16.227 382 HG21 THR 73 HG21 THR 73 -2.286 -16.685 -14.579 383 HG22 THR 73 HG22 THR 73 -2.722 -17.224 -12.958 384 HG23 THR 73 HG23 THR 73 -3.929 -16.440 -13.978 385 H SER 74 HN SER 74 -1.908 -21.714 -13.273 386 HA SER 74 HA SER 74 -3.543 -23.376 -15.122 387 HB2 SER 74 HB2 SER 74 -1.092 -23.758 -15.441 388 HB3 SER 74 HB1 SER 74 -0.950 -24.218 -13.746 389 HG SER 74 HG SER 74 -2.753 -25.513 -15.505 390 H GLU 75 HN GLU 75 -5.142 -24.464 -14.155 391 HA GLU 75 HA GLU 75 -5.591 -24.248 -11.337 392 HB2 GLU 75 HB2 GLU 75 -7.134 -25.873 -13.381 393 HB3 GLU 75 HB1 GLU 75 -7.670 -25.485 -11.743 394 HG2 GLU 75 HG2 GLU 75 -7.502 -23.014 -12.443 395 HG3 GLU 75 HG1 GLU 75 -7.333 -23.600 -14.097 396 H PHE 76 HN PHE 76 -5.017 -25.620 -9.770 397 HA PHE 76 HA PHE 76 -3.300 -27.849 -10.323 398 HB2 PHE 76 HB2 PHE 76 -2.943 -26.337 -8.382 399 HB3 PHE 76 HB1 PHE 76 -4.463 -26.875 -7.674 400 HD1 PHE 76 HD2 PHE 76 -1.113 -28.124 -8.786 401 HD2 PHE 76 HD1 PHE 76 -4.481 -28.779 -6.224 402 HE1 PHE 76 HE2 PHE 76 0.076 -29.972 -7.688 403 HE2 PHE 76 HE1 PHE 76 -3.279 -30.635 -5.140 404 HZ PHE 76 HZ PHE 76 -1.003 -31.234 -5.869 405 H GLY 77 HN GLY 77 -3.831 -29.944 -10.480 406 HA2 GLY 77 HA2 GLY 77 -4.958 -31.941 -10.264 407 HA3 GLY 77 HA1 GLY 77 -6.108 -31.158 -9.198 408 H ASN 78 HN ASN 78 -7.781 -29.837 -10.183 409 HA ASN 78 HA ASN 78 -8.456 -30.427 -13.002 410 HB2 ASN 78 HB2 ASN 78 -10.403 -30.607 -10.647 411 HB3 ASN 78 HB1 ASN 78 -10.864 -30.704 -12.344 412 HD21 ASN 78 HD21 ASN 78 -10.338 -32.581 -13.531 413 HD22 ASN 78 HD22 ASN 78 -9.889 -34.052 -12.744 414 H SER 79 HN SER 79 -9.928 -28.654 -10.264 415 HA SER 79 HA SER 79 -9.535 -26.062 -11.496 416 HB2 SER 79 HB2 SER 79 -12.332 -27.267 -11.300 417 HB3 SER 79 HB1 SER 79 -12.013 -25.556 -11.588 418 HG SER 79 HG SER 79 -10.707 -26.389 -13.442 419 H GLY 80 HN GLY 80 -11.198 -24.476 -10.148 420 HA2 GLY 80 HA2 GLY 80 -11.854 -23.634 -8.088 421 HA3 GLY 80 HA1 GLY 80 -11.357 -25.136 -7.314 422 H ASN 81 HN ASN 81 -9.148 -25.436 -6.768 423 HA ASN 81 HA ASN 81 -7.700 -23.057 -6.104 424 HB2 ASN 81 HB2 ASN 81 -7.541 -25.077 -4.669 425 HB3 ASN 81 HB1 ASN 81 -6.764 -25.960 -5.974 426 HD21 ASN 81 HD21 ASN 81 -4.582 -25.607 -6.378 427 HD22 ASN 81 HD22 ASN 81 -3.572 -24.636 -5.371 428 H TRP 82 HN TRP 82 -7.022 -21.927 -7.803 429 HA TRP 82 HA TRP 82 -5.481 -23.257 -9.939 430 HB2 TRP 82 HB2 TRP 82 -6.038 -21.331 -11.382 431 HB3 TRP 82 HB1 TRP 82 -7.469 -22.170 -10.815 432 HD1 TRP 82 HD1 TRP 82 -8.444 -20.829 -8.350 433 HE1 TRP 82 HE1 TRP 82 -8.982 -18.340 -8.186 434 HE3 TRP 82 HE3 TRP 82 -5.692 -19.138 -12.303 435 HZ2 TRP 82 HZ2 TRP 82 -8.380 -15.972 -9.545 436 HZ3 TRP 82 HZ3 TRP 82 -5.743 -16.731 -12.816 437 HH2 TRP 82 HH2 TRP 82 -7.061 -15.189 -11.458 438 H ARG 83 HN ARG 83 -3.454 -22.859 -10.138 439 HA ARG 83 HA ARG 83 -2.058 -21.178 -8.247 440 HB2 ARG 83 HB2 ARG 83 -1.342 -23.508 -8.705 441 HB3 ARG 83 HB1 ARG 83 -1.026 -23.098 -10.379 442 HG2 ARG 83 HG2 ARG 83 0.441 -21.646 -8.166 443 HG3 ARG 83 HG1 ARG 83 0.949 -23.266 -8.647 444 HD2 ARG 83 HD2 ARG 83 0.768 -20.854 -10.497 445 HD3 ARG 83 HD1 ARG 83 2.249 -21.500 -9.791 446 HE ARG 83 HE ARG 83 1.788 -23.583 -11.049 447 HH11 ARG 83 HH11 ARG 83 0.288 -20.620 -12.230 448 HH12 ARG 83 HH12 ARG 83 0.346 -21.130 -13.889 449 HH21 ARG 83 HH21 ARG 83 1.815 -24.223 -13.185 450 HH22 ARG 83 HH22 ARG 83 1.197 -23.177 -14.426 451 H VAL 84 HN VAL 84 -1.274 -19.237 -8.683 452 HA VAL 84 HA VAL 84 -1.046 -18.246 -11.468 453 HB VAL 84 HB VAL 84 -1.449 -16.653 -8.885 454 HG11 VAL 84 HG11 VAL 84 -1.807 -14.687 -10.349 455 HG12 VAL 84 HG12 VAL 84 -1.400 -15.664 -11.761 456 HG13 VAL 84 HG13 VAL 84 -0.179 -15.346 -10.527 457 HG21 VAL 84 HG21 VAL 84 -3.482 -17.905 -9.453 458 HG22 VAL 84 HG22 VAL 84 -3.454 -17.253 -11.093 459 HG23 VAL 84 HG23 VAL 84 -3.727 -16.181 -9.725 460 H VAL 85 HN VAL 85 1.063 -18.455 -12.040 461 HA VAL 85 HA VAL 85 3.180 -17.776 -10.085 462 HB VAL 85 HB VAL 85 3.348 -20.071 -11.029 463 HG11 VAL 85 HG11 VAL 85 3.993 -20.474 -13.368 464 HG12 VAL 85 HG12 VAL 85 3.763 -18.762 -13.732 465 HG13 VAL 85 HG13 VAL 85 2.387 -19.753 -13.249 466 HG21 VAL 85 HG21 VAL 85 5.382 -18.945 -10.266 467 HG22 VAL 85 HG22 VAL 85 5.631 -18.246 -11.867 468 HG23 VAL 85 HG23 VAL 85 5.748 -19.993 -11.638 469 H ALA 86 HN ALA 86 4.554 -16.121 -10.493 470 HA ALA 86 HA ALA 86 4.420 -14.617 -13.004 471 HB1 ALA 86 HB1 ALA 86 3.944 -12.508 -11.842 472 HB2 ALA 86 HB2 ALA 86 3.826 -13.357 -10.296 473 HB3 ALA 86 HB3 ALA 86 2.642 -13.669 -11.567 474 H ASP 87 HN ASP 87 6.429 -14.032 -13.573 475 HA ASP 87 HA ASP 87 8.655 -13.976 -11.732 476 HB2 ASP 87 HB2 ASP 87 8.335 -13.200 -14.656 477 HB3 ASP 87 HB1 ASP 87 9.850 -12.974 -13.789 478 H VAL 88 HN VAL 88 9.703 -12.135 -10.933 479 HA VAL 88 HA VAL 88 8.090 -9.646 -10.961 480 HB VAL 88 HB VAL 88 8.851 -9.277 -8.608 481 HG11 VAL 88 HG11 VAL 88 7.358 -11.886 -9.056 482 HG12 VAL 88 HG12 VAL 88 6.651 -10.267 -9.043 483 HG13 VAL 88 HG13 VAL 88 7.345 -10.935 -7.566 484 HG21 VAL 88 HG21 VAL 88 9.939 -12.123 -8.734 485 HG22 VAL 88 HG22 VAL 88 9.841 -11.114 -7.288 486 HG23 VAL 88 HG23 VAL 88 10.916 -10.661 -8.609 487 H TYR 89 HN TYR 89 9.184 -7.639 -10.797 488 HA TYR 89 HA TYR 89 11.897 -7.637 -11.992 489 HB2 TYR 89 HB2 TYR 89 9.505 -5.961 -12.933 490 HB3 TYR 89 HB1 TYR 89 11.126 -5.930 -13.618 491 HD1 TYR 89 HD1 TYR 89 8.061 -8.013 -13.247 492 HD2 TYR 89 HD2 TYR 89 11.786 -7.560 -15.299 493 HE1 TYR 89 HE1 TYR 89 7.396 -9.756 -14.845 494 HE2 TYR 89 HE2 TYR 89 11.109 -9.300 -16.894 495 HH TYR 89 HH TYR 89 9.592 -11.191 -17.015 496 H LYS 90 HN LYS 90 13.240 -6.066 -11.185 497 HA LYS 90 HA LYS 90 12.357 -4.305 -9.028 498 HB2 LYS 90 HB2 LYS 90 15.099 -4.814 -10.269 499 HB3 LYS 90 HB1 LYS 90 14.832 -3.738 -8.903 500 HG2 LYS 90 HG2 LYS 90 14.247 -6.712 -8.911 501 HG3 LYS 90 HG1 LYS 90 15.710 -5.973 -8.259 502 HD2 LYS 90 HD2 LYS 90 12.876 -5.448 -7.248 503 HD3 LYS 90 HD1 LYS 90 14.042 -6.541 -6.497 504 HE2 LYS 90 HE2 LYS 90 14.385 -3.539 -6.817 505 HE3 LYS 90 HE1 LYS 90 13.960 -4.377 -5.326 506 HZ1 LYS 90 HZ1 LYS 90 16.085 -5.526 -5.422 507 HZ2 LYS 90 HZ2 LYS 90 16.292 -3.850 -5.374 508 HZ3 LYS 90 HZ3 LYS 90 16.495 -4.685 -6.829 509 H ALA 91 HN ALA 91 12.978 -2.006 -9.002 510 HA ALA 91 HA ALA 91 13.127 -0.680 -11.648 511 HB1 ALA 91 HB1 ALA 91 12.414 0.493 -8.924 512 HB2 ALA 91 HB2 ALA 91 11.286 0.132 -10.231 513 HB3 ALA 91 HB3 ALA 91 12.496 1.397 -10.440 Start of MODEL 8 1 H HIS 21 HT1 HIS 21 1.711 0.828 -4.224 2 HA HIS 21 HA HIS 21 4.321 0.465 -2.871 3 HB2 HIS 21 HB2 HIS 21 1.506 0.139 -1.751 4 HB3 HIS 21 HB1 HIS 21 2.997 -0.229 -0.889 5 HD1 HIS 21 HD1 HIS 21 0.594 2.410 -1.347 6 HD2 HIS 21 HD2 HIS 21 4.669 2.223 -0.534 7 HE1 HIS 21 HE1 HIS 21 1.200 4.668 -0.417 8 HE2 HIS 21 HE2 HIS 21 3.695 4.578 -0.085 9 H ALA 22 HN ALA 22 1.187 -1.283 -3.347 10 HA ALA 22 HA ALA 22 2.363 -3.855 -3.647 11 HB1 ALA 22 HB1 ALA 22 0.175 -4.558 -4.562 12 HB2 ALA 22 HB2 ALA 22 -0.318 -2.866 -4.690 13 HB3 ALA 22 HB3 ALA 22 -0.021 -3.580 -3.105 14 H ALA 23 HN ALA 23 3.106 -4.948 -5.461 15 HA ALA 23 HA ALA 23 4.397 -3.405 -7.414 16 HB1 ALA 23 HB1 ALA 23 5.086 -5.525 -8.419 17 HB2 ALA 23 HB2 ALA 23 3.859 -6.388 -7.487 18 HB3 ALA 23 HB3 ALA 23 5.208 -5.603 -6.660 19 H THR 24 HN THR 24 3.852 -2.705 -9.383 20 HA THR 24 HA THR 24 1.179 -2.960 -10.423 21 HB THR 24 HB THR 24 3.652 -1.705 -11.722 22 HG1 THR 24 HG1 THR 24 3.446 -0.214 -10.258 23 HG21 THR 24 HG21 THR 24 1.780 -2.009 -13.325 24 HG22 THR 24 HG22 THR 24 2.040 -0.302 -12.966 25 HG23 THR 24 HG23 THR 24 0.692 -1.160 -12.221 26 H GLU 25 HN GLU 25 0.510 -4.149 -12.242 27 HA GLU 25 HA GLU 25 2.148 -6.253 -13.281 28 HB2 GLU 25 HB2 GLU 25 -0.298 -6.492 -13.238 29 HB3 GLU 25 HB1 GLU 25 -0.487 -5.092 -14.290 30 HG2 GLU 25 HG2 GLU 25 0.596 -6.282 -16.130 31 HG3 GLU 25 HG1 GLU 25 0.895 -7.672 -15.083 32 H LEU 26 HN LEU 26 3.723 -5.970 -14.669 33 HA LEU 26 HA LEU 26 4.137 -3.553 -16.193 34 HB2 LEU 26 HB2 LEU 26 5.942 -4.921 -14.957 35 HB3 LEU 26 HB1 LEU 26 5.785 -6.117 -16.230 36 HG LEU 26 HG LEU 26 6.508 -4.413 -17.903 37 HD11 LEU 26 HD11 LEU 26 6.931 -2.603 -15.494 38 HD12 LEU 26 HD12 LEU 26 5.746 -2.369 -16.784 39 HD13 LEU 26 HD13 LEU 26 7.467 -2.266 -17.142 40 HD21 LEU 26 HD21 LEU 26 8.877 -4.348 -17.250 41 HD22 LEU 26 HD22 LEU 26 8.172 -5.925 -16.900 42 HD23 LEU 26 HD23 LEU 26 8.447 -4.773 -15.589 43 H THR 27 HN THR 27 3.936 -3.383 -18.430 44 HA THR 27 HA THR 27 2.019 -5.009 -19.718 45 HB THR 27 HB THR 27 2.520 -3.665 -21.764 46 HG1 THR 27 HG1 THR 27 4.234 -1.878 -20.777 47 HG21 THR 27 HG21 THR 27 2.397 -1.938 -19.255 48 HG22 THR 27 HG22 THR 27 1.006 -2.676 -20.054 49 HG23 THR 27 HG23 THR 27 1.944 -1.436 -20.886 50 HA PRO 28 HA PRO 28 4.303 -8.539 -21.447 51 HB2 PRO 28 HB2 PRO 28 2.747 -7.631 -23.896 52 HB3 PRO 28 HB1 PRO 28 3.051 -9.280 -23.319 53 HG2 PRO 28 HG2 PRO 28 0.724 -8.120 -22.800 54 HG3 PRO 28 HG1 PRO 28 1.534 -9.071 -21.534 55 HD2 PRO 28 HD2 PRO 28 1.244 -6.095 -21.772 56 HD3 PRO 28 HD1 PRO 28 1.383 -7.110 -20.319 57 H GLU 29 HN GLU 29 4.274 -5.432 -23.127 58 HA GLU 29 HA GLU 29 6.457 -5.986 -24.896 59 HB2 GLU 29 HB2 GLU 29 5.355 -3.275 -24.055 60 HB3 GLU 29 HB1 GLU 29 6.359 -3.609 -25.468 61 HG2 GLU 29 HG2 GLU 29 3.501 -4.489 -24.979 62 HG3 GLU 29 HG1 GLU 29 4.074 -3.339 -26.186 63 H GLN 30 HN GLN 30 6.197 -3.952 -21.938 64 HA GLN 30 HA GLN 30 8.977 -3.335 -21.783 65 HB2 GLN 30 HB2 GLN 30 6.854 -3.241 -19.607 66 HB3 GLN 30 HB1 GLN 30 8.468 -2.560 -19.456 67 HG2 GLN 30 HG2 GLN 30 6.307 -1.652 -21.375 68 HG3 GLN 30 HG1 GLN 30 6.820 -0.824 -19.910 69 HE21 GLN 30 HE21 GLN 30 8.909 0.156 -19.870 70 HE22 GLN 30 HE22 GLN 30 9.717 0.596 -21.335 71 H ALA 31 HN ALA 31 7.043 -5.960 -20.537 72 HA ALA 31 HA ALA 31 8.960 -7.066 -18.724 73 HB1 ALA 31 HB1 ALA 31 6.551 -7.485 -18.485 74 HB2 ALA 31 HB2 ALA 31 7.436 -9.002 -18.654 75 HB3 ALA 31 HB3 ALA 31 6.532 -8.348 -20.024 76 H ALA 32 HN ALA 32 8.235 -7.477 -22.146 77 HA ALA 32 HA ALA 32 9.966 -9.737 -22.598 78 HB1 ALA 32 HB1 ALA 32 9.578 -9.267 -24.992 79 HB2 ALA 32 HB2 ALA 32 8.805 -7.733 -24.567 80 HB3 ALA 32 HB3 ALA 32 8.066 -9.258 -24.083 81 H ALA 33 HN ALA 33 10.304 -6.243 -22.658 82 HA ALA 33 HA ALA 33 12.874 -6.140 -23.956 83 HB1 ALA 33 HB1 ALA 33 11.286 -4.267 -24.074 84 HB2 ALA 33 HB2 ALA 33 12.819 -3.749 -23.373 85 HB3 ALA 33 HB3 ALA 33 11.418 -4.024 -22.332 86 H LEU 34 HN LEU 34 11.732 -5.936 -20.601 87 HA LEU 34 HA LEU 34 14.417 -5.781 -19.464 88 HB2 LEU 34 HB2 LEU 34 11.681 -5.983 -18.135 89 HB3 LEU 34 HB1 LEU 34 13.197 -5.759 -17.275 90 HG LEU 34 HG LEU 34 11.967 -3.758 -19.218 91 HD11 LEU 34 HD11 LEU 34 12.120 -3.661 -16.184 92 HD12 LEU 34 HD12 LEU 34 10.665 -3.906 -17.153 93 HD13 LEU 34 HD13 LEU 34 11.524 -2.372 -17.235 94 HD21 LEU 34 HD21 LEU 34 13.714 -2.203 -18.441 95 HD22 LEU 34 HD22 LEU 34 14.412 -3.615 -19.229 96 HD23 LEU 34 HD23 LEU 34 14.436 -3.489 -17.468 97 H LYS 35 HN LYS 35 14.966 -7.334 -17.683 98 HA LYS 35 HA LYS 35 14.002 -10.087 -18.179 99 HB2 LYS 35 HB2 LYS 35 16.336 -9.759 -18.969 100 HB3 LYS 35 HB1 LYS 35 16.809 -9.191 -17.374 101 HG2 LYS 35 HG2 LYS 35 16.487 -11.366 -16.401 102 HG3 LYS 35 HG1 LYS 35 15.697 -11.973 -17.858 103 HD2 LYS 35 HD2 LYS 35 18.623 -11.142 -17.645 104 HD3 LYS 35 HD1 LYS 35 18.024 -12.805 -17.647 105 HE2 LYS 35 HE2 LYS 35 17.106 -12.449 -19.933 106 HE3 LYS 35 HE1 LYS 35 17.757 -10.808 -19.927 107 HZ1 LYS 35 HZ1 LYS 35 19.231 -12.222 -21.102 108 HZ2 LYS 35 HZ2 LYS 35 19.284 -13.343 -19.843 109 HZ3 LYS 35 HZ3 LYS 35 19.983 -11.818 -19.643 110 HA PRO 36 HA PRO 36 12.835 -9.613 -13.810 111 HB2 PRO 36 HB2 PRO 36 11.650 -12.022 -13.441 112 HB3 PRO 36 HB1 PRO 36 10.897 -10.760 -14.429 113 HG2 PRO 36 HG2 PRO 36 12.516 -13.148 -15.323 114 HG3 PRO 36 HG1 PRO 36 10.965 -12.553 -15.956 115 HD2 PRO 36 HD2 PRO 36 13.352 -11.985 -17.158 116 HD3 PRO 36 HD1 PRO 36 11.971 -10.864 -17.202 117 H TYR 37 HN TYR 37 13.720 -10.207 -11.842 118 HA TYR 37 HA TYR 37 16.202 -11.717 -11.899 119 HB2 TYR 37 HB2 TYR 37 16.594 -10.871 -9.654 120 HB3 TYR 37 HB1 TYR 37 16.042 -9.552 -10.670 121 HD1 TYR 37 HD1 TYR 37 13.614 -8.740 -10.408 122 HD2 TYR 37 HD2 TYR 37 15.430 -11.422 -7.622 123 HE1 TYR 37 HE1 TYR 37 11.898 -8.173 -8.736 124 HE2 TYR 37 HE2 TYR 37 13.713 -10.866 -5.956 125 HH TYR 37 HH TYR 37 10.869 -9.253 -6.688 126 H ASP 38 HN ASP 38 12.920 -12.346 -11.081 127 HA ASP 38 HA ASP 38 13.435 -15.030 -10.130 128 HB2 ASP 38 HB2 ASP 38 13.832 -13.695 -8.063 129 HB3 ASP 38 HB1 ASP 38 12.258 -12.926 -8.242 130 H ARG 39 HN ARG 39 11.368 -16.180 -9.666 131 HA ARG 39 HA ARG 39 8.894 -14.949 -10.730 132 HB2 ARG 39 HB2 ARG 39 9.865 -17.827 -11.021 133 HB3 ARG 39 HB1 ARG 39 8.222 -17.308 -11.392 134 HG2 ARG 39 HG2 ARG 39 8.965 -15.964 -13.234 135 HG3 ARG 39 HG1 ARG 39 10.661 -16.150 -12.776 136 HD2 ARG 39 HD2 ARG 39 8.858 -18.421 -13.687 137 HD3 ARG 39 HD1 ARG 39 9.988 -17.549 -14.733 138 HE ARG 39 HE ARG 39 10.930 -18.981 -12.318 139 HH11 ARG 39 HH11 ARG 39 11.073 -18.531 -15.788 140 HH12 ARG 39 HH12 ARG 39 12.477 -19.528 -15.980 141 HH21 ARG 39 HH21 ARG 39 12.774 -20.267 -12.570 142 HH22 ARG 39 HH22 ARG 39 13.446 -20.515 -14.147 143 H ILE 40 HN ILE 40 7.383 -14.797 -9.145 144 HA ILE 40 HA ILE 40 7.620 -16.404 -6.689 145 HB ILE 40 HB ILE 40 5.952 -14.867 -5.709 146 HG12 ILE 40 HG12 ILE 40 5.955 -13.421 -8.409 147 HG13 ILE 40 HG11 ILE 40 4.624 -14.390 -7.792 148 HG21 ILE 40 HG21 ILE 40 8.333 -14.249 -5.574 149 HG22 ILE 40 HG22 ILE 40 7.329 -12.805 -5.687 150 HG23 ILE 40 HG23 ILE 40 8.213 -13.374 -7.105 151 HD11 ILE 40 HD11 ILE 40 5.664 -11.842 -6.568 152 HD12 ILE 40 HD12 ILE 40 4.298 -12.795 -5.980 153 HD13 ILE 40 HD13 ILE 40 4.217 -12.014 -7.558 154 H VAL 41 HN VAL 41 6.121 -17.954 -6.094 155 HA VAL 41 HA VAL 41 3.778 -18.396 -7.861 156 HB VAL 41 HB VAL 41 5.078 -20.579 -6.166 157 HG11 VAL 41 HG11 VAL 41 3.786 -22.108 -7.623 158 HG12 VAL 41 HG12 VAL 41 3.130 -20.732 -8.510 159 HG13 VAL 41 HG13 VAL 41 2.720 -20.961 -6.809 160 HG21 VAL 41 HG21 VAL 41 6.782 -19.857 -7.783 161 HG22 VAL 41 HG22 VAL 41 5.629 -20.025 -9.108 162 HG23 VAL 41 HG23 VAL 41 6.159 -21.452 -8.216 163 H ILE 42 HN ILE 42 1.911 -17.966 -6.887 164 HA ILE 42 HA ILE 42 1.566 -18.380 -3.971 165 HB ILE 42 HB ILE 42 -0.461 -16.968 -4.126 166 HG12 ILE 42 HG12 ILE 42 0.296 -16.462 -7.045 167 HG13 ILE 42 HG11 ILE 42 -1.028 -17.499 -6.536 168 HG21 ILE 42 HG21 ILE 42 1.981 -15.579 -5.288 169 HG22 ILE 42 HG22 ILE 42 1.669 -15.877 -3.576 170 HG23 ILE 42 HG23 ILE 42 0.624 -14.783 -4.484 171 HD11 ILE 42 HD11 ILE 42 -0.824 -14.527 -6.084 172 HD12 ILE 42 HD12 ILE 42 -2.161 -15.555 -5.561 173 HD13 ILE 42 HD13 ILE 42 -1.825 -15.345 -7.280 174 H THR 43 HN THR 43 -0.374 -19.440 -3.282 175 HA THR 43 HA THR 43 -2.059 -20.750 -5.319 176 HB THR 43 HB THR 43 -2.416 -22.661 -3.652 177 HG1 THR 43 HG1 THR 43 -1.211 -22.788 -1.879 178 HG21 THR 43 HG21 THR 43 -0.987 -22.992 -5.641 179 HG22 THR 43 HG22 THR 43 -0.383 -23.906 -4.258 180 HG23 THR 43 HG23 THR 43 0.413 -22.407 -4.738 181 H GLY 44 HN GLY 44 -4.173 -20.302 -5.051 182 HA2 GLY 44 HA2 GLY 44 -5.205 -19.430 -2.404 183 HA3 GLY 44 HA1 GLY 44 -5.624 -18.580 -3.894 184 H ARG 45 HN ARG 45 -7.486 -19.888 -2.107 185 HA ARG 45 HA ARG 45 -8.402 -22.224 -3.701 186 HB2 ARG 45 HB2 ARG 45 -8.865 -21.483 -0.789 187 HB3 ARG 45 HB1 ARG 45 -9.722 -22.791 -1.604 188 HG2 ARG 45 HG2 ARG 45 -7.689 -24.057 -1.901 189 HG3 ARG 45 HG1 ARG 45 -6.695 -22.692 -1.374 190 HD2 ARG 45 HD2 ARG 45 -8.720 -24.081 0.426 191 HD3 ARG 45 HD1 ARG 45 -7.010 -24.506 0.350 192 HE ARG 45 HE ARG 45 -6.433 -22.444 1.308 193 HH11 ARG 45 HH11 ARG 45 -9.936 -22.787 1.181 194 HH12 ARG 45 HH12 ARG 45 -10.208 -21.533 2.345 195 HH21 ARG 45 HH21 ARG 45 -6.815 -20.819 2.830 196 HH22 ARG 45 HH22 ARG 45 -8.442 -20.417 3.274 197 H PHE 46 HN PHE 46 -10.068 -21.850 -4.955 198 HA PHE 46 HA PHE 46 -11.818 -20.959 -6.022 199 HB2 PHE 46 HB2 PHE 46 -13.011 -21.953 -4.056 200 HB3 PHE 46 HB1 PHE 46 -12.905 -20.408 -3.220 201 HD1 PHE 46 HD2 PHE 46 -14.263 -22.003 -6.324 202 HD2 PHE 46 HD1 PHE 46 -14.630 -18.796 -3.520 203 HE1 PHE 46 HE2 PHE 46 -16.364 -21.310 -7.386 204 HE2 PHE 46 HE1 PHE 46 -16.732 -18.108 -4.594 205 HZ PHE 46 HZ PHE 46 -17.604 -19.362 -6.526 206 H ASN 47 HN ASN 47 -10.602 -19.288 -6.964 207 HA ASN 47 HA ASN 47 -11.219 -16.548 -6.022 208 HB2 ASN 47 HB2 ASN 47 -8.518 -17.527 -7.073 209 HB3 ASN 47 HB1 ASN 47 -8.930 -15.836 -6.806 210 HD21 ASN 47 HD21 ASN 47 -10.332 -16.265 -4.284 211 HD22 ASN 47 HD22 ASN 47 -9.121 -16.652 -3.119 212 H ALA 48 HN ALA 48 -11.170 -14.949 -7.766 213 HA ALA 48 HA ALA 48 -11.461 -16.000 -10.516 214 HB1 ALA 48 HB1 ALA 48 -13.202 -14.423 -9.764 215 HB2 ALA 48 HB2 ALA 48 -12.246 -13.715 -11.067 216 HB3 ALA 48 HB3 ALA 48 -11.970 -13.212 -9.398 217 H ILE 49 HN ILE 49 -10.395 -14.273 -12.164 218 HA ILE 49 HA ILE 49 -7.581 -14.452 -11.814 219 HB ILE 49 HB ILE 49 -8.582 -14.476 -14.077 220 HG12 ILE 49 HG12 ILE 49 -6.951 -12.954 -15.225 221 HG13 ILE 49 HG11 ILE 49 -6.645 -12.138 -13.695 222 HG21 ILE 49 HG21 ILE 49 -10.402 -12.866 -13.786 223 HG22 ILE 49 HG22 ILE 49 -9.409 -12.431 -15.178 224 HG23 ILE 49 HG23 ILE 49 -9.239 -11.543 -13.662 225 HD11 ILE 49 HD11 ILE 49 -4.875 -13.702 -14.274 226 HD12 ILE 49 HD12 ILE 49 -6.032 -15.030 -14.308 227 HD13 ILE 49 HD13 ILE 49 -5.686 -14.198 -12.789 228 H GLY 50 HN GLY 50 -9.910 -11.817 -11.307 229 HA2 GLY 50 HA2 GLY 50 -8.116 -9.669 -10.888 230 HA3 GLY 50 HA1 GLY 50 -9.753 -9.779 -10.249 231 H ASP 51 HN ASP 51 -9.441 -12.064 -8.634 232 HA ASP 51 HA ASP 51 -8.297 -10.997 -6.236 233 HB2 ASP 51 HB2 ASP 51 -9.183 -13.861 -6.826 234 HB3 ASP 51 HB1 ASP 51 -8.856 -13.199 -5.225 235 H ALA 52 HN ALA 52 -7.308 -13.416 -8.592 236 HA ALA 52 HA ALA 52 -4.968 -14.410 -7.365 237 HB1 ALA 52 HB1 ALA 52 -4.398 -15.246 -9.634 238 HB2 ALA 52 HB2 ALA 52 -5.678 -14.247 -10.323 239 HB3 ALA 52 HB3 ALA 52 -6.083 -15.572 -9.230 240 H VAL 53 HN VAL 53 -5.501 -11.678 -9.586 241 HA VAL 53 HA VAL 53 -2.747 -10.981 -9.947 242 HB VAL 53 HB VAL 53 -5.275 -9.347 -10.471 243 HG11 VAL 53 HG11 VAL 53 -3.355 -7.819 -10.147 244 HG12 VAL 53 HG12 VAL 53 -3.866 -7.834 -11.833 245 HG13 VAL 53 HG13 VAL 53 -2.421 -8.722 -11.343 246 HG21 VAL 53 HG21 VAL 53 -4.882 -9.892 -12.848 247 HG22 VAL 53 HG22 VAL 53 -5.075 -11.363 -11.894 248 HG23 VAL 53 HG23 VAL 53 -3.466 -10.852 -12.406 249 H SER 54 HN SER 54 -5.325 -9.873 -7.772 250 HA SER 54 HA SER 54 -3.909 -7.740 -6.537 251 HB2 SER 54 HB2 SER 54 -6.379 -7.954 -6.409 252 HB3 SER 54 HB1 SER 54 -6.214 -9.408 -5.428 253 HG SER 54 HG SER 54 -4.926 -7.071 -4.560 254 H ALA 55 HN ALA 55 -4.079 -11.199 -5.906 255 HA ALA 55 HA ALA 55 -2.751 -11.135 -3.348 256 HB1 ALA 55 HB1 ALA 55 -4.352 -12.913 -3.920 257 HB2 ALA 55 HB2 ALA 55 -2.770 -13.593 -3.533 258 HB3 ALA 55 HB3 ALA 55 -3.291 -13.466 -5.217 259 H VAL 56 HN VAL 56 -1.764 -11.593 -6.720 260 HA VAL 56 HA VAL 56 0.911 -12.489 -6.003 261 HB VAL 56 HB VAL 56 -0.430 -13.331 -8.027 262 HG11 VAL 56 HG11 VAL 56 0.549 -10.784 -9.334 263 HG12 VAL 56 HG12 VAL 56 -1.128 -11.193 -8.980 264 HG13 VAL 56 HG13 VAL 56 -0.220 -12.145 -10.157 265 HG21 VAL 56 HG21 VAL 56 1.923 -13.928 -7.670 266 HG22 VAL 56 HG22 VAL 56 2.436 -12.465 -8.519 267 HG23 VAL 56 HG23 VAL 56 1.571 -13.733 -9.390 268 H SER 57 HN SER 57 -0.651 -9.486 -6.930 269 HA SER 57 HA SER 57 1.742 -7.934 -7.303 270 HB2 SER 57 HB2 SER 57 0.199 -5.964 -7.066 271 HB3 SER 57 HB1 SER 57 -0.375 -7.141 -8.248 272 HG SER 57 HG SER 57 -1.286 -6.824 -5.579 273 H ARG 58 HN ARG 58 -0.392 -8.705 -4.608 274 HA ARG 58 HA ARG 58 0.820 -7.100 -2.598 275 HB2 ARG 58 HB2 ARG 58 -1.433 -8.108 -2.323 276 HB3 ARG 58 HB1 ARG 58 -0.725 -9.721 -2.331 277 HG2 ARG 58 HG2 ARG 58 0.491 -9.202 -0.241 278 HG3 ARG 58 HG1 ARG 58 -0.200 -7.578 -0.241 279 HD2 ARG 58 HD2 ARG 58 -2.470 -8.570 0.001 280 HD3 ARG 58 HD1 ARG 58 -1.736 -10.182 0.033 281 HE ARG 58 HE ARG 58 -0.726 -8.302 2.009 282 HH11 ARG 58 HH11 ARG 58 -3.095 -10.833 1.422 283 HH12 ARG 58 HH12 ARG 58 -3.253 -11.227 3.102 284 HH21 ARG 58 HH21 ARG 58 -0.945 -8.823 4.201 285 HH22 ARG 58 HH22 ARG 58 -2.052 -10.068 4.682 286 H ARG 59 HN ARG 59 1.304 -10.479 -3.631 287 HA ARG 59 HA ARG 59 3.286 -11.170 -1.727 288 HB2 ARG 59 HB2 ARG 59 2.072 -12.929 -2.837 289 HB3 ARG 59 HB1 ARG 59 2.577 -12.377 -4.425 290 HG2 ARG 59 HG2 ARG 59 3.712 -14.475 -3.668 291 HG3 ARG 59 HG1 ARG 59 4.828 -13.179 -4.084 292 HD2 ARG 59 HD2 ARG 59 5.503 -14.444 -2.050 293 HD3 ARG 59 HD1 ARG 59 5.267 -12.723 -1.748 294 HE ARG 59 HE ARG 59 2.916 -14.258 -1.158 295 HH11 ARG 59 HH11 ARG 59 6.041 -13.320 0.140 296 HH12 ARG 59 HH12 ARG 59 5.547 -13.510 1.791 297 HH21 ARG 59 HH21 ARG 59 2.279 -14.507 1.005 298 HH22 ARG 59 HH22 ARG 59 3.411 -14.194 2.282 299 H ALA 60 HN ALA 60 3.549 -9.862 -5.037 300 HA ALA 60 HA ALA 60 6.379 -9.928 -5.211 301 HB1 ALA 60 HB1 ALA 60 6.107 -8.314 -7.062 302 HB2 ALA 60 HB2 ALA 60 4.418 -8.078 -6.597 303 HB3 ALA 60 HB3 ALA 60 4.962 -9.652 -7.177 304 H ASP 61 HN ASP 61 4.144 -7.585 -3.806 305 HA ASP 61 HA ASP 61 6.011 -5.525 -3.165 306 HB2 ASP 61 HB2 ASP 61 3.631 -5.033 -3.194 307 HB3 ASP 61 HB1 ASP 61 3.304 -6.270 -1.991 308 H GLU 62 HN GLU 62 4.907 -8.430 -1.441 309 HA GLU 62 HA GLU 62 6.274 -8.086 1.015 310 HB2 GLU 62 HB2 GLU 62 5.610 -10.699 -0.428 311 HB3 GLU 62 HB1 GLU 62 6.045 -10.553 1.272 312 HG2 GLU 62 HG2 GLU 62 3.575 -9.290 0.049 313 HG3 GLU 62 HG1 GLU 62 3.597 -10.889 0.789 314 H GLU 63 HN GLU 63 7.279 -9.328 -2.110 315 HA GLU 63 HA GLU 63 9.848 -10.342 -1.198 316 HB2 GLU 63 HB2 GLU 63 8.745 -10.061 -4.024 317 HB3 GLU 63 HB1 GLU 63 10.168 -10.987 -3.552 318 HG2 GLU 63 HG2 GLU 63 7.273 -11.577 -2.895 319 HG3 GLU 63 HG1 GLU 63 8.357 -12.516 -3.909 320 H GLY 64 HN GLY 64 8.685 -7.288 -2.097 321 HA2 GLY 64 HA2 GLY 64 9.791 -5.268 -2.281 322 HA3 GLY 64 HA1 GLY 64 11.322 -6.113 -2.109 323 H ALA 65 HN ALA 65 8.713 -6.400 -4.461 324 HA ALA 65 HA ALA 65 10.546 -5.779 -6.706 325 HB1 ALA 65 HB1 ALA 65 8.055 -7.536 -6.709 326 HB2 ALA 65 HB2 ALA 65 9.724 -8.106 -6.757 327 HB3 ALA 65 HB3 ALA 65 9.074 -7.180 -8.109 328 H ALA 66 HN ALA 66 10.025 -4.048 -7.921 329 HA ALA 66 HA ALA 66 7.915 -2.255 -7.201 330 HB1 ALA 66 HB1 ALA 66 10.061 -1.466 -8.103 331 HB2 ALA 66 HB2 ALA 66 8.714 -0.894 -9.089 332 HB3 ALA 66 HB3 ALA 66 9.709 -2.246 -9.647 333 H SER 67 HN SER 67 8.311 -4.691 -9.717 334 HA SER 67 HA SER 67 5.499 -4.439 -10.518 335 HB2 SER 67 HB2 SER 67 7.843 -4.388 -12.486 336 HB3 SER 67 HB1 SER 67 6.148 -4.563 -12.948 337 HG SER 67 HG SER 67 7.108 -2.371 -13.011 338 H PHE 68 HN PHE 68 4.961 -6.270 -12.084 339 HA PHE 68 HA PHE 68 6.598 -8.678 -11.936 340 HB2 PHE 68 HB2 PHE 68 4.888 -10.124 -11.021 341 HB3 PHE 68 HB1 PHE 68 5.062 -8.780 -9.904 342 HD1 PHE 68 HD2 PHE 68 3.257 -7.045 -9.755 343 HD2 PHE 68 HD1 PHE 68 2.800 -10.522 -12.200 344 HE1 PHE 68 HE2 PHE 68 0.836 -6.645 -9.894 345 HE2 PHE 68 HE1 PHE 68 0.385 -10.106 -12.336 346 HZ PHE 68 HZ PHE 68 -0.600 -8.172 -11.180 347 H TYR 69 HN TYR 69 5.312 -10.462 -13.197 348 HA TYR 69 HA TYR 69 3.405 -9.603 -15.174 349 HB2 TYR 69 HB2 TYR 69 5.470 -8.916 -16.319 350 HB3 TYR 69 HB1 TYR 69 6.222 -10.475 -16.004 351 HD1 TYR 69 HD1 TYR 69 3.467 -8.816 -17.920 352 HD2 TYR 69 HD2 TYR 69 5.913 -12.297 -17.555 353 HE1 TYR 69 HE1 TYR 69 2.627 -9.646 -20.070 354 HE2 TYR 69 HE2 TYR 69 5.070 -13.121 -19.705 355 HH TYR 69 HH TYR 69 3.164 -12.848 -21.160 356 H VAL 70 HN VAL 70 2.002 -11.296 -15.288 357 HA VAL 70 HA VAL 70 2.521 -13.784 -13.995 358 HB VAL 70 HB VAL 70 0.210 -13.098 -15.870 359 HG11 VAL 70 HG11 VAL 70 -0.999 -14.939 -14.732 360 HG12 VAL 70 HG12 VAL 70 0.445 -15.316 -13.790 361 HG13 VAL 70 HG13 VAL 70 0.451 -15.534 -15.542 362 HG21 VAL 70 HG21 VAL 70 0.295 -11.509 -13.986 363 HG22 VAL 70 HG22 VAL 70 0.336 -12.848 -12.836 364 HG23 VAL 70 HG23 VAL 70 -1.098 -12.584 -13.833 365 H VAL 71 HN VAL 71 3.725 -15.395 -14.810 366 HA VAL 71 HA VAL 71 4.237 -15.592 -17.686 367 HB VAL 71 HB VAL 71 6.238 -15.719 -16.365 368 HG11 VAL 71 HG11 VAL 71 5.026 -17.969 -14.743 369 HG12 VAL 71 HG12 VAL 71 5.314 -16.320 -14.189 370 HG13 VAL 71 HG13 VAL 71 6.679 -17.363 -14.593 371 HG21 VAL 71 HG21 VAL 71 6.242 -17.257 -18.288 372 HG22 VAL 71 HG22 VAL 71 5.602 -18.553 -17.276 373 HG23 VAL 71 HG23 VAL 71 7.217 -17.909 -16.967 374 H ASP 72 HN ASP 72 2.527 -17.277 -15.099 375 HA ASP 72 HA ASP 72 0.975 -18.775 -17.008 376 HB2 ASP 72 HB2 ASP 72 3.106 -20.154 -16.734 377 HB3 ASP 72 HB1 ASP 72 2.663 -20.395 -15.056 378 H THR 73 HN THR 73 -0.985 -19.310 -16.194 379 HA THR 73 HA THR 73 -1.465 -19.303 -13.268 380 HB THR 73 HB THR 73 -3.944 -18.902 -13.952 381 HG1 THR 73 HG1 THR 73 -3.173 -19.217 -16.323 382 HG21 THR 73 HG21 THR 73 -3.706 -16.464 -14.082 383 HG22 THR 73 HG22 THR 73 -1.995 -16.628 -14.473 384 HG23 THR 73 HG23 THR 73 -2.588 -17.120 -12.886 385 H SER 74 HN SER 74 -2.751 -20.984 -12.474 386 HA SER 74 HA SER 74 -3.534 -23.218 -14.182 387 HB2 SER 74 HB2 SER 74 -1.521 -23.653 -11.917 388 HB3 SER 74 HB1 SER 74 -2.145 -24.864 -13.038 389 HG SER 74 HG SER 74 -1.126 -23.326 -14.688 390 H GLU 75 HN GLU 75 -4.563 -24.950 -12.861 391 HA GLU 75 HA GLU 75 -5.495 -24.161 -10.184 392 HB2 GLU 75 HB2 GLU 75 -7.762 -25.041 -10.700 393 HB3 GLU 75 HB1 GLU 75 -7.358 -23.665 -11.717 394 HG2 GLU 75 HG2 GLU 75 -6.800 -25.256 -13.570 395 HG3 GLU 75 HG1 GLU 75 -7.343 -26.587 -12.544 396 H PHE 76 HN PHE 76 -5.852 -25.974 -8.781 397 HA PHE 76 HA PHE 76 -4.098 -28.205 -9.293 398 HB2 PHE 76 HB2 PHE 76 -4.431 -27.237 -7.006 399 HB3 PHE 76 HB1 PHE 76 -6.083 -27.837 -6.999 400 HD1 PHE 76 HD2 PHE 76 -2.517 -28.794 -6.809 401 HD2 PHE 76 HD1 PHE 76 -6.540 -30.214 -6.573 402 HE1 PHE 76 HE2 PHE 76 -1.713 -30.911 -5.857 403 HE2 PHE 76 HE1 PHE 76 -5.727 -32.331 -5.617 404 HZ PHE 76 HZ PHE 76 -3.314 -32.684 -5.266 405 H GLY 77 HN GLY 77 -4.748 -29.530 -10.918 406 HA2 GLY 77 HA2 GLY 77 -5.972 -31.078 -12.103 407 HA3 GLY 77 HA1 GLY 77 -6.924 -31.333 -10.644 408 H ASN 78 HN ASN 78 -9.020 -30.674 -10.689 409 HA ASN 78 HA ASN 78 -9.873 -28.643 -12.686 410 HB2 ASN 78 HB2 ASN 78 -11.416 -31.071 -11.684 411 HB3 ASN 78 HB1 ASN 78 -12.114 -29.803 -12.684 412 HD21 ASN 78 HD21 ASN 78 -11.491 -29.638 -14.857 413 HD22 ASN 78 HD22 ASN 78 -10.718 -30.942 -15.685 414 H SER 79 HN SER 79 -9.314 -29.031 -9.462 415 HA SER 79 HA SER 79 -11.673 -27.651 -8.433 416 HB2 SER 79 HB2 SER 79 -10.567 -27.794 -6.240 417 HB3 SER 79 HB1 SER 79 -10.531 -29.367 -7.034 418 HG SER 79 HG SER 79 -8.326 -28.001 -7.703 419 H GLY 80 HN GLY 80 -11.513 -25.579 -7.310 420 HA2 GLY 80 HA2 GLY 80 -10.240 -23.634 -9.013 421 HA3 GLY 80 HA1 GLY 80 -11.313 -23.312 -7.668 422 H ASN 81 HN ASN 81 -8.465 -25.236 -7.017 423 HA ASN 81 HA ASN 81 -7.246 -23.201 -5.405 424 HB2 ASN 81 HB2 ASN 81 -7.013 -25.604 -4.823 425 HB3 ASN 81 HB1 ASN 81 -6.114 -25.887 -6.306 426 HD21 ASN 81 HD21 ASN 81 -3.968 -25.102 -6.472 427 HD22 ASN 81 HD22 ASN 81 -3.058 -24.664 -5.071 428 H TRP 82 HN TRP 82 -6.873 -21.473 -6.738 429 HA TRP 82 HA TRP 82 -5.553 -21.473 -9.235 430 HB2 TRP 82 HB2 TRP 82 -6.330 -19.352 -7.227 431 HB3 TRP 82 HB1 TRP 82 -5.256 -18.916 -8.551 432 HD1 TRP 82 HD1 TRP 82 -8.769 -20.571 -8.152 433 HE1 TRP 82 HE1 TRP 82 -10.226 -19.759 -10.115 434 HE3 TRP 82 HE3 TRP 82 -5.263 -17.890 -10.696 435 HZ2 TRP 82 HZ2 TRP 82 -9.917 -18.202 -12.450 436 HZ3 TRP 82 HZ3 TRP 82 -5.908 -16.772 -12.796 437 HH2 TRP 82 HH2 TRP 82 -8.192 -16.927 -13.657 438 H ARG 83 HN ARG 83 -3.617 -22.574 -9.112 439 HA ARG 83 HA ARG 83 -1.373 -21.452 -7.629 440 HB2 ARG 83 HB2 ARG 83 -1.350 -23.850 -8.039 441 HB3 ARG 83 HB1 ARG 83 -1.604 -23.627 -9.760 442 HG2 ARG 83 HG2 ARG 83 0.930 -22.543 -8.511 443 HG3 ARG 83 HG1 ARG 83 0.786 -24.280 -8.784 444 HD2 ARG 83 HD2 ARG 83 0.326 -23.851 -11.181 445 HD3 ARG 83 HD1 ARG 83 0.528 -22.119 -10.909 446 HE ARG 83 HE ARG 83 2.873 -23.301 -10.039 447 HH11 ARG 83 HH11 ARG 83 1.124 -23.176 -13.093 448 HH12 ARG 83 HH12 ARG 83 2.561 -23.224 -14.060 449 HH21 ARG 83 HH21 ARG 83 4.750 -23.391 -11.320 450 HH22 ARG 83 HH22 ARG 83 4.620 -23.355 -13.048 451 H VAL 84 HN VAL 84 -0.619 -19.500 -8.267 452 HA VAL 84 HA VAL 84 -0.510 -18.839 -11.164 453 HB VAL 84 HB VAL 84 -1.001 -16.872 -8.876 454 HG11 VAL 84 HG11 VAL 84 -0.930 -16.381 -11.881 455 HG12 VAL 84 HG12 VAL 84 0.264 -15.825 -10.708 456 HG13 VAL 84 HG13 VAL 84 -1.379 -15.185 -10.659 457 HG21 VAL 84 HG21 VAL 84 -2.996 -18.271 -9.279 458 HG22 VAL 84 HG22 VAL 84 -2.956 -17.849 -10.993 459 HG23 VAL 84 HG23 VAL 84 -3.275 -16.605 -9.786 460 H VAL 85 HN VAL 85 1.535 -18.684 -11.834 461 HA VAL 85 HA VAL 85 3.613 -17.663 -9.993 462 HB VAL 85 HB VAL 85 4.167 -19.896 -10.734 463 HG11 VAL 85 HG11 VAL 85 3.896 -18.948 -13.592 464 HG12 VAL 85 HG12 VAL 85 2.859 -20.107 -12.762 465 HG13 VAL 85 HG13 VAL 85 4.544 -20.515 -13.096 466 HG21 VAL 85 HG21 VAL 85 6.399 -19.516 -11.746 467 HG22 VAL 85 HG22 VAL 85 6.055 -18.348 -10.469 468 HG23 VAL 85 HG23 VAL 85 5.921 -17.868 -12.161 469 H ALA 86 HN ALA 86 4.690 -15.846 -10.505 470 HA ALA 86 HA ALA 86 4.310 -14.527 -13.100 471 HB1 ALA 86 HB1 ALA 86 3.744 -13.179 -10.429 472 HB2 ALA 86 HB2 ALA 86 2.535 -13.646 -11.625 473 HB3 ALA 86 HB3 ALA 86 3.719 -12.398 -12.016 474 H ASP 87 HN ASP 87 6.225 -13.876 -13.825 475 HA ASP 87 HA ASP 87 8.593 -13.797 -12.215 476 HB2 ASP 87 HB2 ASP 87 9.691 -12.981 -14.332 477 HB3 ASP 87 HB1 ASP 87 8.847 -14.499 -14.491 478 H VAL 88 HN VAL 88 9.649 -12.036 -11.351 479 HA VAL 88 HA VAL 88 8.028 -9.564 -11.133 480 HB VAL 88 HB VAL 88 8.976 -9.402 -8.770 481 HG11 VAL 88 HG11 VAL 88 7.385 -11.047 -7.814 482 HG12 VAL 88 HG12 VAL 88 7.231 -11.811 -9.399 483 HG13 VAL 88 HG13 VAL 88 6.682 -10.150 -9.162 484 HG21 VAL 88 HG21 VAL 88 9.816 -12.297 -9.256 485 HG22 VAL 88 HG22 VAL 88 9.851 -11.465 -7.698 486 HG23 VAL 88 HG23 VAL 88 10.909 -10.933 -9.005 487 H TYR 89 HN TYR 89 9.145 -7.623 -10.604 488 HA TYR 89 HA TYR 89 11.800 -7.383 -11.876 489 HB2 TYR 89 HB2 TYR 89 9.249 -5.828 -12.534 490 HB3 TYR 89 HB1 TYR 89 10.851 -5.346 -13.089 491 HD1 TYR 89 HD1 TYR 89 8.204 -7.949 -13.429 492 HD2 TYR 89 HD2 TYR 89 11.910 -6.465 -14.954 493 HE1 TYR 89 HE1 TYR 89 7.976 -9.403 -15.402 494 HE2 TYR 89 HE2 TYR 89 11.673 -7.901 -16.926 495 HH TYR 89 HH TYR 89 10.526 -9.989 -17.541 496 H LYS 90 HN LYS 90 13.049 -5.697 -11.150 497 HA LYS 90 HA LYS 90 12.290 -4.246 -8.734 498 HB2 LYS 90 HB2 LYS 90 14.859 -4.242 -10.385 499 HB3 LYS 90 HB1 LYS 90 14.643 -3.377 -8.866 500 HG2 LYS 90 HG2 LYS 90 14.575 -6.393 -9.226 501 HG3 LYS 90 HG1 LYS 90 15.901 -5.445 -8.539 502 HD2 LYS 90 HD2 LYS 90 14.264 -4.665 -6.745 503 HD3 LYS 90 HD1 LYS 90 13.122 -5.860 -7.371 504 HE2 LYS 90 HE2 LYS 90 14.829 -7.645 -6.912 505 HE3 LYS 90 HE1 LYS 90 15.868 -6.414 -6.193 506 HZ1 LYS 90 HZ1 LYS 90 14.722 -7.486 -4.463 507 HZ2 LYS 90 HZ2 LYS 90 13.222 -7.326 -5.230 508 HZ3 LYS 90 HZ3 LYS 90 14.014 -5.960 -4.622 509 H ALA 91 HN ALA 91 12.937 -1.851 -8.703 510 HA ALA 91 HA ALA 91 11.549 -0.376 -10.742 511 HB1 ALA 91 HB1 ALA 91 13.233 0.617 -8.405 512 HB2 ALA 91 HB2 ALA 91 11.485 0.371 -8.405 513 HB3 ALA 91 HB3 ALA 91 12.197 1.623 -9.424 Start of MODEL 9 1 H HIS 21 HT1 HIS 21 4.377 -0.105 -0.420 2 HA HIS 21 HA HIS 21 2.017 -0.502 -0.184 3 HB2 HIS 21 HB2 HIS 21 2.828 0.955 -2.745 4 HB3 HIS 21 HB1 HIS 21 1.205 1.029 -2.068 5 HD1 HIS 21 HD1 HIS 21 1.269 3.539 -1.578 6 HD2 HIS 21 HD2 HIS 21 4.388 1.463 0.231 7 HE1 HIS 21 HE1 HIS 21 2.360 5.184 -0.022 8 HE2 HIS 21 HE2 HIS 21 4.315 3.945 0.962 9 H ALA 22 HN ALA 22 2.894 -1.058 -3.579 10 HA ALA 22 HA ALA 22 1.963 -3.730 -3.728 11 HB1 ALA 22 HB1 ALA 22 0.208 -1.664 -5.132 12 HB2 ALA 22 HB2 ALA 22 -0.276 -2.667 -3.765 13 HB3 ALA 22 HB3 ALA 22 0.089 -3.420 -5.318 14 H ALA 23 HN ALA 23 3.093 -4.667 -5.396 15 HA ALA 23 HA ALA 23 5.028 -3.243 -6.881 16 HB1 ALA 23 HB1 ALA 23 5.273 -5.627 -6.340 17 HB2 ALA 23 HB2 ALA 23 5.414 -5.366 -8.079 18 HB3 ALA 23 HB3 ALA 23 3.921 -6.028 -7.401 19 H THR 24 HN THR 24 5.021 -2.415 -8.939 20 HA THR 24 HA THR 24 2.604 -1.532 -10.109 21 HB THR 24 HB THR 24 5.339 -1.711 -11.475 22 HG1 THR 24 HG1 THR 24 5.810 -0.515 -9.753 23 HG21 THR 24 HG21 THR 24 4.595 0.274 -12.749 24 HG22 THR 24 HG22 THR 24 3.026 0.218 -11.945 25 HG23 THR 24 HG23 THR 24 3.507 -1.089 -13.029 26 H GLU 25 HN GLU 25 1.313 -2.390 -11.724 27 HA GLU 25 HA GLU 25 1.680 -5.114 -12.570 28 HB2 GLU 25 HB2 GLU 25 -0.558 -3.975 -12.236 29 HB3 GLU 25 HB1 GLU 25 -0.268 -3.056 -13.709 30 HG2 GLU 25 HG2 GLU 25 -0.241 -5.125 -15.021 31 HG3 GLU 25 HG1 GLU 25 -0.408 -6.086 -13.551 32 H LEU 26 HN LEU 26 3.010 -5.728 -14.133 33 HA LEU 26 HA LEU 26 4.155 -3.786 -16.000 34 HB2 LEU 26 HB2 LEU 26 5.440 -5.601 -14.551 35 HB3 LEU 26 HB1 LEU 26 4.946 -6.711 -15.815 36 HG LEU 26 HG LEU 26 6.119 -5.183 -17.482 37 HD11 LEU 26 HD11 LEU 26 7.783 -3.596 -16.624 38 HD12 LEU 26 HD12 LEU 26 7.231 -3.884 -14.975 39 HD13 LEU 26 HD13 LEU 26 6.152 -3.125 -16.148 40 HD21 LEU 26 HD21 LEU 26 7.151 -7.264 -16.685 41 HD22 LEU 26 HD22 LEU 26 7.869 -6.394 -15.328 42 HD23 LEU 26 HD23 LEU 26 8.356 -6.010 -16.981 43 H THR 27 HN THR 27 3.911 -3.935 -18.221 44 HA THR 27 HA THR 27 1.753 -5.649 -19.224 45 HB THR 27 HB THR 27 1.928 -4.148 -21.287 46 HG1 THR 27 HG1 THR 27 3.312 -2.282 -19.717 47 HG21 THR 27 HG21 THR 27 0.781 -2.226 -20.244 48 HG22 THR 27 HG22 THR 27 1.324 -2.754 -18.651 49 HG23 THR 27 HG23 THR 27 0.194 -3.749 -19.573 50 HA PRO 28 HA PRO 28 4.125 -8.676 -21.469 51 HB2 PRO 28 HB2 PRO 28 2.657 -7.608 -23.893 52 HB3 PRO 28 HB1 PRO 28 2.960 -9.288 -23.417 53 HG2 PRO 28 HG2 PRO 28 0.595 -8.207 -22.924 54 HG3 PRO 28 HG1 PRO 28 1.366 -9.227 -21.693 55 HD2 PRO 28 HD2 PRO 28 1.052 -6.245 -21.756 56 HD3 PRO 28 HD1 PRO 28 1.083 -7.356 -20.369 57 H GLU 29 HN GLU 29 3.985 -5.516 -23.124 58 HA GLU 29 HA GLU 29 6.221 -5.748 -24.811 59 HB2 GLU 29 HB2 GLU 29 5.005 -3.301 -23.473 60 HB3 GLU 29 HB1 GLU 29 6.267 -3.204 -24.698 61 HG2 GLU 29 HG2 GLU 29 3.513 -4.402 -25.108 62 HG3 GLU 29 HG1 GLU 29 4.014 -2.782 -25.600 63 H GLN 30 HN GLN 30 5.964 -4.383 -21.543 64 HA GLN 30 HA GLN 30 8.699 -3.693 -21.224 65 HB2 GLN 30 HB2 GLN 30 6.622 -4.263 -19.081 66 HB3 GLN 30 HB1 GLN 30 8.123 -3.370 -18.851 67 HG2 GLN 30 HG2 GLN 30 7.273 -1.584 -20.333 68 HG3 GLN 30 HG1 GLN 30 5.788 -2.501 -20.584 69 HE21 GLN 30 HE21 GLN 30 7.615 -0.576 -18.303 70 HE22 GLN 30 HE22 GLN 30 6.338 -0.354 -17.161 71 H ALA 31 HN ALA 31 6.751 -6.480 -20.195 72 HA ALA 31 HA ALA 31 8.731 -7.863 -18.717 73 HB1 ALA 31 HB1 ALA 31 7.177 -9.767 -18.806 74 HB2 ALA 31 HB2 ALA 31 6.236 -8.946 -20.057 75 HB3 ALA 31 HB3 ALA 31 6.331 -8.264 -18.432 76 H ALA 32 HN ALA 32 8.038 -7.741 -22.134 77 HA ALA 32 HA ALA 32 9.580 -10.067 -22.914 78 HB1 ALA 32 HB1 ALA 32 8.547 -7.732 -24.571 79 HB2 ALA 32 HB2 ALA 32 7.697 -9.249 -24.279 80 HB3 ALA 32 HB3 ALA 32 9.194 -9.249 -25.212 81 H ALA 33 HN ALA 33 10.223 -6.715 -22.242 82 HA ALA 33 HA ALA 33 12.843 -6.667 -23.585 83 HB1 ALA 33 HB1 ALA 33 12.860 -4.284 -22.972 84 HB2 ALA 33 HB2 ALA 33 11.378 -4.494 -22.032 85 HB3 ALA 33 HB3 ALA 33 11.352 -4.707 -23.784 86 H LEU 34 HN LEU 34 11.465 -6.931 -20.366 87 HA LEU 34 HA LEU 34 14.022 -6.253 -19.053 88 HB2 LEU 34 HB2 LEU 34 11.239 -6.556 -17.851 89 HB3 LEU 34 HB1 LEU 34 12.671 -5.991 -17.003 90 HG LEU 34 HG LEU 34 11.309 -4.534 -19.303 91 HD11 LEU 34 HD11 LEU 34 10.560 -2.904 -17.637 92 HD12 LEU 34 HD12 LEU 34 11.262 -3.876 -16.340 93 HD13 LEU 34 HD13 LEU 34 9.918 -4.511 -17.295 94 HD21 LEU 34 HD21 LEU 34 13.711 -4.078 -19.271 95 HD22 LEU 34 HD22 LEU 34 13.630 -3.626 -17.567 96 HD23 LEU 34 HD23 LEU 34 12.798 -2.652 -18.782 97 H LYS 35 HN LYS 35 14.878 -7.558 -17.419 98 HA LYS 35 HA LYS 35 14.142 -10.419 -17.441 99 HB2 LYS 35 HB2 LYS 35 16.757 -8.971 -17.057 100 HB3 LYS 35 HB1 LYS 35 16.528 -10.453 -16.144 101 HG2 LYS 35 HG2 LYS 35 17.740 -10.902 -18.217 102 HG3 LYS 35 HG1 LYS 35 16.179 -11.721 -18.209 103 HD2 LYS 35 HD2 LYS 35 16.594 -10.795 -20.414 104 HD3 LYS 35 HD1 LYS 35 15.251 -9.932 -19.665 105 HE2 LYS 35 HE2 LYS 35 16.818 -8.090 -19.071 106 HE3 LYS 35 HE1 LYS 35 18.120 -8.948 -19.900 107 HZ1 LYS 35 HZ1 LYS 35 15.607 -7.976 -21.148 108 HZ2 LYS 35 HZ2 LYS 35 16.847 -8.791 -21.951 109 HZ3 LYS 35 HZ3 LYS 35 17.127 -7.259 -21.299 110 HA PRO 36 HA PRO 36 12.736 -9.700 -13.164 111 HB2 PRO 36 HB2 PRO 36 11.801 -12.179 -12.642 112 HB3 PRO 36 HB1 PRO 36 10.957 -11.102 -13.764 113 HG2 PRO 36 HG2 PRO 36 12.865 -13.355 -14.381 114 HG3 PRO 36 HG1 PRO 36 11.292 -12.996 -15.123 115 HD2 PRO 36 HD2 PRO 36 13.679 -12.261 -16.257 116 HD3 PRO 36 HD1 PRO 36 12.175 -11.341 -16.494 117 H TYR 37 HN TYR 37 13.630 -10.062 -11.145 118 HA TYR 37 HA TYR 37 16.217 -11.350 -11.006 119 HB2 TYR 37 HB2 TYR 37 16.353 -10.475 -8.722 120 HB3 TYR 37 HB1 TYR 37 15.836 -9.210 -9.823 121 HD1 TYR 37 HD1 TYR 37 13.525 -8.289 -9.676 122 HD2 TYR 37 HD2 TYR 37 14.851 -11.302 -6.951 123 HE1 TYR 37 HE1 TYR 37 11.611 -7.816 -8.205 124 HE2 TYR 37 HE2 TYR 37 12.940 -10.826 -5.494 125 HH TYR 37 HH TYR 37 11.406 -8.955 -5.034 126 H ASP 38 HN ASP 38 12.954 -12.181 -10.330 127 HA ASP 38 HA ASP 38 13.556 -14.885 -9.546 128 HB2 ASP 38 HB2 ASP 38 13.819 -13.539 -7.374 129 HB3 ASP 38 HB1 ASP 38 12.116 -13.122 -7.502 130 H ARG 39 HN ARG 39 11.319 -16.012 -9.018 131 HA ARG 39 HA ARG 39 9.033 -14.719 -10.395 132 HB2 ARG 39 HB2 ARG 39 9.503 -17.723 -10.575 133 HB3 ARG 39 HB1 ARG 39 8.475 -16.711 -11.585 134 HG2 ARG 39 HG2 ARG 39 10.528 -15.743 -12.632 135 HG3 ARG 39 HG1 ARG 39 11.512 -16.823 -11.637 136 HD2 ARG 39 HD2 ARG 39 11.298 -17.816 -13.826 137 HD3 ARG 39 HD1 ARG 39 10.315 -18.772 -12.709 138 HE ARG 39 HE ARG 39 8.958 -16.644 -14.149 139 HH11 ARG 39 HH11 ARG 39 9.529 -20.117 -13.990 140 HH12 ARG 39 HH12 ARG 39 8.281 -20.466 -15.145 141 HH21 ARG 39 HH21 ARG 39 7.378 -17.116 -15.624 142 HH22 ARG 39 HH22 ARG 39 7.071 -18.770 -16.072 143 H ILE 40 HN ILE 40 7.396 -14.539 -8.888 144 HA ILE 40 HA ILE 40 7.325 -16.345 -6.568 145 HB ILE 40 HB ILE 40 5.491 -14.954 -5.690 146 HG12 ILE 40 HG12 ILE 40 5.771 -13.239 -8.202 147 HG13 ILE 40 HG11 ILE 40 4.432 -14.336 -7.888 148 HG21 ILE 40 HG21 ILE 40 7.829 -13.259 -6.637 149 HG22 ILE 40 HG22 ILE 40 7.810 -14.294 -5.208 150 HG23 ILE 40 HG23 ILE 40 6.757 -12.880 -5.284 151 HD11 ILE 40 HD11 ILE 40 5.133 -11.920 -6.224 152 HD12 ILE 40 HD12 ILE 40 3.746 -12.989 -5.990 153 HD13 ILE 40 HD13 ILE 40 3.871 -12.008 -7.447 154 H VAL 41 HN VAL 41 5.585 -17.682 -6.072 155 HA VAL 41 HA VAL 41 3.514 -18.137 -8.129 156 HB VAL 41 HB VAL 41 4.954 -20.388 -6.637 157 HG11 VAL 41 HG11 VAL 41 2.563 -20.891 -7.044 158 HG12 VAL 41 HG12 VAL 41 3.592 -21.920 -8.042 159 HG13 VAL 41 HG13 VAL 41 2.770 -20.534 -8.761 160 HG21 VAL 41 HG21 VAL 41 5.858 -21.081 -8.840 161 HG22 VAL 41 HG22 VAL 41 6.410 -19.461 -8.401 162 HG23 VAL 41 HG23 VAL 41 5.119 -19.662 -9.585 163 H ILE 42 HN ILE 42 1.598 -17.769 -7.207 164 HA ILE 42 HA ILE 42 1.095 -18.647 -4.411 165 HB ILE 42 HB ILE 42 -0.883 -17.207 -4.376 166 HG12 ILE 42 HG12 ILE 42 -0.164 -16.272 -7.188 167 HG13 ILE 42 HG11 ILE 42 -1.444 -17.423 -6.834 168 HG21 ILE 42 HG21 ILE 42 0.177 -14.972 -4.440 169 HG22 ILE 42 HG22 ILE 42 1.533 -15.640 -5.351 170 HG23 ILE 42 HG23 ILE 42 1.240 -16.169 -3.695 171 HD11 ILE 42 HD11 ILE 42 -2.351 -15.238 -7.223 172 HD12 ILE 42 HD12 ILE 42 -1.342 -14.548 -5.952 173 HD13 ILE 42 HD13 ILE 42 -2.615 -15.703 -5.544 174 H THR 43 HN THR 43 -1.216 -19.494 -4.143 175 HA THR 43 HA THR 43 -2.110 -21.118 -6.460 176 HB THR 43 HB THR 43 -2.851 -22.860 -4.721 177 HG1 THR 43 HG1 THR 43 -1.212 -21.210 -3.084 178 HG21 THR 43 HG21 THR 43 0.138 -22.405 -5.000 179 HG22 THR 43 HG22 THR 43 -0.889 -23.243 -6.165 180 HG23 THR 43 HG23 THR 43 -0.637 -23.929 -4.558 181 H GLY 44 HN GLY 44 -3.883 -20.117 -7.091 182 HA2 GLY 44 HA2 GLY 44 -5.708 -18.781 -5.268 183 HA3 GLY 44 HA1 GLY 44 -5.804 -18.836 -7.022 184 H ARG 45 HN ARG 45 -6.596 -20.522 -4.045 185 HA ARG 45 HA ARG 45 -7.844 -22.770 -5.400 186 HB2 ARG 45 HB2 ARG 45 -6.578 -22.924 -3.179 187 HB3 ARG 45 HB1 ARG 45 -7.967 -22.144 -2.434 188 HG2 ARG 45 HG2 ARG 45 -9.402 -24.047 -3.248 189 HG3 ARG 45 HG1 ARG 45 -7.942 -24.834 -3.853 190 HD2 ARG 45 HD2 ARG 45 -8.692 -24.253 -0.977 191 HD3 ARG 45 HD1 ARG 45 -8.432 -25.828 -1.732 192 HE ARG 45 HE ARG 45 -6.265 -23.849 -1.295 193 HH11 ARG 45 HH11 ARG 45 -7.336 -27.187 -1.264 194 HH12 ARG 45 HH12 ARG 45 -5.837 -27.779 -0.624 195 HH21 ARG 45 HH21 ARG 45 -4.321 -24.632 -0.452 196 HH22 ARG 45 HH22 ARG 45 -4.130 -26.333 -0.164 197 H PHE 46 HN PHE 46 -9.584 -22.086 -6.528 198 HA PHE 46 HA PHE 46 -11.623 -21.340 -7.085 199 HB2 PHE 46 HB2 PHE 46 -12.392 -22.923 -5.310 200 HB3 PHE 46 HB1 PHE 46 -12.291 -21.634 -4.119 201 HD1 PHE 46 HD2 PHE 46 -14.148 -22.861 -7.091 202 HD2 PHE 46 HD1 PHE 46 -14.069 -19.973 -3.936 203 HE1 PHE 46 HE2 PHE 46 -16.461 -22.214 -7.616 204 HE2 PHE 46 HE1 PHE 46 -16.384 -19.332 -4.466 205 HZ PHE 46 HZ PHE 46 -17.579 -20.451 -6.311 206 H ASN 47 HN ASN 47 -11.030 -19.303 -7.788 207 HA ASN 47 HA ASN 47 -12.098 -17.026 -6.453 208 HB2 ASN 47 HB2 ASN 47 -10.097 -15.712 -6.014 209 HB3 ASN 47 HB1 ASN 47 -9.921 -17.241 -5.170 210 HD21 ASN 47 HD21 ASN 47 -9.088 -18.791 -7.479 211 HD22 ASN 47 HD22 ASN 47 -7.503 -18.268 -7.899 212 H ALA 48 HN ALA 48 -11.811 -15.031 -7.751 213 HA ALA 48 HA ALA 48 -11.685 -15.549 -10.607 214 HB1 ALA 48 HB1 ALA 48 -13.386 -14.000 -9.714 215 HB2 ALA 48 HB2 ALA 48 -12.313 -13.175 -10.847 216 HB3 ALA 48 HB3 ALA 48 -12.111 -12.938 -9.109 217 H ILE 49 HN ILE 49 -10.318 -14.185 -12.022 218 HA ILE 49 HA ILE 49 -7.573 -14.368 -11.365 219 HB ILE 49 HB ILE 49 -8.318 -14.605 -13.689 220 HG12 ILE 49 HG12 ILE 49 -6.646 -13.129 -14.848 221 HG13 ILE 49 HG11 ILE 49 -6.468 -12.197 -13.369 222 HG21 ILE 49 HG21 ILE 49 -10.192 -13.038 -13.701 223 HG22 ILE 49 HG22 ILE 49 -9.096 -12.692 -15.041 224 HG23 ILE 49 HG23 ILE 49 -9.077 -11.673 -13.601 225 HD11 ILE 49 HD11 ILE 49 -5.737 -15.098 -13.743 226 HD12 ILE 49 HD12 ILE 49 -5.548 -14.176 -12.249 227 HD13 ILE 49 HD13 ILE 49 -4.625 -13.732 -13.684 228 H GLY 50 HN GLY 50 -9.900 -11.733 -11.159 229 HA2 GLY 50 HA2 GLY 50 -8.191 -9.542 -10.740 230 HA3 GLY 50 HA1 GLY 50 -9.813 -9.706 -10.084 231 H ASP 51 HN ASP 51 -9.427 -11.950 -8.443 232 HA ASP 51 HA ASP 51 -8.326 -10.843 -6.063 233 HB2 ASP 51 HB2 ASP 51 -9.056 -13.753 -6.642 234 HB3 ASP 51 HB1 ASP 51 -8.759 -13.067 -5.044 235 H ALA 52 HN ALA 52 -7.222 -13.277 -8.363 236 HA ALA 52 HA ALA 52 -4.903 -14.181 -7.054 237 HB1 ALA 52 HB1 ALA 52 -4.248 -15.113 -9.245 238 HB2 ALA 52 HB2 ALA 52 -5.495 -14.147 -10.035 239 HB3 ALA 52 HB3 ALA 52 -5.950 -15.422 -8.903 240 H VAL 53 HN VAL 53 -5.267 -11.708 -9.608 241 HA VAL 53 HA VAL 53 -2.545 -10.965 -9.819 242 HB VAL 53 HB VAL 53 -5.083 -9.470 -10.604 243 HG11 VAL 53 HG11 VAL 53 -2.223 -8.815 -11.393 244 HG12 VAL 53 HG12 VAL 53 -3.259 -7.834 -10.355 245 HG13 VAL 53 HG13 VAL 53 -3.668 -8.049 -12.058 246 HG21 VAL 53 HG21 VAL 53 -4.755 -11.616 -11.786 247 HG22 VAL 53 HG22 VAL 53 -3.142 -11.099 -12.288 248 HG23 VAL 53 HG23 VAL 53 -4.567 -10.250 -12.888 249 H SER 54 HN SER 54 -5.203 -9.772 -7.807 250 HA SER 54 HA SER 54 -3.850 -7.553 -6.644 251 HB2 SER 54 HB2 SER 54 -6.326 -7.820 -6.598 252 HB3 SER 54 HB1 SER 54 -6.154 -9.182 -5.494 253 HG SER 54 HG SER 54 -5.405 -6.484 -5.017 254 H ALA 55 HN ALA 55 -4.028 -10.981 -5.839 255 HA ALA 55 HA ALA 55 -2.637 -10.825 -3.329 256 HB1 ALA 55 HB1 ALA 55 -3.118 -13.191 -5.169 257 HB2 ALA 55 HB2 ALA 55 -4.158 -12.679 -3.842 258 HB3 ALA 55 HB3 ALA 55 -2.540 -13.289 -3.500 259 H VAL 56 HN VAL 56 -1.706 -11.335 -6.704 260 HA VAL 56 HA VAL 56 1.020 -12.030 -6.254 261 HB VAL 56 HB VAL 56 -0.378 -10.938 -8.736 262 HG11 VAL 56 HG11 VAL 56 1.604 -11.591 -10.030 263 HG12 VAL 56 HG12 VAL 56 2.440 -12.058 -8.551 264 HG13 VAL 56 HG13 VAL 56 2.030 -10.366 -8.834 265 HG21 VAL 56 HG21 VAL 56 -1.104 -13.200 -8.057 266 HG22 VAL 56 HG22 VAL 56 0.571 -13.749 -8.067 267 HG23 VAL 56 HG23 VAL 56 -0.203 -13.250 -9.574 268 H SER 57 HN SER 57 -0.622 -8.912 -6.881 269 HA SER 57 HA SER 57 1.721 -7.306 -7.057 270 HB2 SER 57 HB2 SER 57 0.080 -5.385 -6.577 271 HB3 SER 57 HB1 SER 57 -0.296 -6.395 -7.974 272 HG SER 57 HG SER 57 -2.106 -6.832 -7.070 273 H ARG 58 HN ARG 58 -0.319 -8.316 -4.381 274 HA ARG 58 HA ARG 58 0.863 -6.814 -2.283 275 HB2 ARG 58 HB2 ARG 58 -1.346 -8.017 -2.143 276 HB3 ARG 58 HB1 ARG 58 -0.493 -9.551 -2.174 277 HG2 ARG 58 HG2 ARG 58 -1.199 -9.002 0.096 278 HG3 ARG 58 HG1 ARG 58 0.563 -9.021 -0.008 279 HD2 ARG 58 HD2 ARG 58 0.649 -6.600 -0.027 280 HD3 ARG 58 HD1 ARG 58 -1.105 -6.485 -0.171 281 HE ARG 58 HE ARG 58 -1.197 -7.525 2.102 282 HH11 ARG 58 HH11 ARG 58 1.720 -5.798 1.202 283 HH12 ARG 58 HH12 ARG 58 2.055 -5.289 2.824 284 HH21 ARG 58 HH21 ARG 58 -0.741 -6.830 4.220 285 HH22 ARG 58 HH22 ARG 58 0.672 -5.867 4.519 286 H ARG 59 HN ARG 59 1.317 -10.178 -3.316 287 HA ARG 59 HA ARG 59 3.321 -10.950 -1.520 288 HB2 ARG 59 HB2 ARG 59 1.880 -12.537 -2.709 289 HB3 ARG 59 HB1 ARG 59 2.562 -12.061 -4.254 290 HG2 ARG 59 HG2 ARG 59 3.430 -14.228 -3.565 291 HG3 ARG 59 HG1 ARG 59 4.734 -13.039 -3.604 292 HD2 ARG 59 HD2 ARG 59 4.510 -12.788 -1.124 293 HD3 ARG 59 HD1 ARG 59 3.296 -14.074 -1.139 294 HE ARG 59 HE ARG 59 5.155 -15.457 -2.213 295 HH11 ARG 59 HH11 ARG 59 5.764 -12.988 0.214 296 HH12 ARG 59 HH12 ARG 59 7.256 -13.700 0.733 297 HH21 ARG 59 HH21 ARG 59 7.097 -16.379 -1.520 298 HH22 ARG 59 HH22 ARG 59 8.015 -15.623 -0.264 299 H ALA 60 HN ALA 60 3.561 -9.616 -4.764 300 HA ALA 60 HA ALA 60 6.326 -10.072 -5.230 301 HB1 ALA 60 HB1 ALA 60 6.050 -8.506 -7.120 302 HB2 ALA 60 HB2 ALA 60 4.460 -8.042 -6.504 303 HB3 ALA 60 HB3 ALA 60 4.739 -9.688 -7.068 304 H ASP 61 HN ASP 61 4.447 -7.287 -4.079 305 HA ASP 61 HA ASP 61 6.564 -5.426 -3.811 306 HB2 ASP 61 HB2 ASP 61 4.156 -4.805 -3.892 307 HB3 ASP 61 HB1 ASP 61 3.906 -5.564 -2.328 308 H GLU 62 HN GLU 62 5.319 -7.950 -1.675 309 HA GLU 62 HA GLU 62 6.830 -7.277 0.650 310 HB2 GLU 62 HB2 GLU 62 5.729 -9.975 -0.224 311 HB3 GLU 62 HB1 GLU 62 6.324 -9.595 1.390 312 HG2 GLU 62 HG2 GLU 62 3.845 -8.512 0.029 313 HG3 GLU 62 HG1 GLU 62 3.931 -9.560 1.441 314 H GLU 63 HN GLU 63 7.541 -9.120 -2.257 315 HA GLU 63 HA GLU 63 10.152 -10.014 -1.325 316 HB2 GLU 63 HB2 GLU 63 8.932 -10.115 -4.119 317 HB3 GLU 63 HB1 GLU 63 10.403 -10.942 -3.608 318 HG2 GLU 63 HG2 GLU 63 7.591 -11.486 -2.599 319 HG3 GLU 63 HG1 GLU 63 8.507 -12.488 -3.718 320 H GLY 64 HN GLY 64 8.984 -7.078 -2.246 321 HA2 GLY 64 HA2 GLY 64 10.115 -5.083 -2.456 322 HA3 GLY 64 HA1 GLY 64 11.630 -5.959 -2.606 323 H ALA 65 HN ALA 65 9.120 -6.982 -4.709 324 HA ALA 65 HA ALA 65 10.516 -6.262 -7.085 325 HB1 ALA 65 HB1 ALA 65 9.100 -8.268 -6.959 326 HB2 ALA 65 HB2 ALA 65 8.597 -7.212 -8.277 327 HB3 ALA 65 HB3 ALA 65 7.663 -7.255 -6.777 328 H ALA 66 HN ALA 66 10.497 -4.401 -8.103 329 HA ALA 66 HA ALA 66 8.821 -2.173 -7.503 330 HB1 ALA 66 HB1 ALA 66 11.095 -1.906 -8.410 331 HB2 ALA 66 HB2 ALA 66 9.907 -1.114 -9.448 332 HB3 ALA 66 HB3 ALA 66 10.594 -2.674 -9.917 333 H SER 67 HN SER 67 8.712 -4.804 -9.795 334 HA SER 67 HA SER 67 5.956 -4.137 -10.557 335 HB2 SER 67 HB2 SER 67 8.193 -4.702 -12.569 336 HB3 SER 67 HB1 SER 67 6.475 -4.631 -12.968 337 HG SER 67 HG SER 67 7.613 -2.442 -11.645 338 H PHE 68 HN PHE 68 4.770 -5.969 -11.230 339 HA PHE 68 HA PHE 68 6.065 -8.637 -11.083 340 HB2 PHE 68 HB2 PHE 68 4.064 -9.584 -10.118 341 HB3 PHE 68 HB1 PHE 68 4.431 -8.161 -9.155 342 HD1 PHE 68 HD2 PHE 68 3.002 -6.106 -9.379 343 HD2 PHE 68 HD1 PHE 68 2.012 -9.727 -11.425 344 HE1 PHE 68 HE2 PHE 68 0.721 -5.280 -9.765 345 HE2 PHE 68 HE1 PHE 68 -0.260 -8.885 -11.808 346 HZ PHE 68 HZ PHE 68 -0.908 -6.664 -10.975 347 H TYR 69 HN TYR 69 5.065 -10.209 -12.522 348 HA TYR 69 HA TYR 69 3.130 -9.266 -14.481 349 HB2 TYR 69 HB2 TYR 69 5.294 -8.695 -15.531 350 HB3 TYR 69 HB1 TYR 69 5.856 -10.349 -15.322 351 HD1 TYR 69 HD1 TYR 69 3.181 -8.332 -16.994 352 HD2 TYR 69 HD2 TYR 69 5.458 -11.949 -17.068 353 HE1 TYR 69 HE1 TYR 69 2.221 -8.891 -19.181 354 HE2 TYR 69 HE2 TYR 69 4.495 -12.511 -19.260 355 HH TYR 69 HH TYR 69 2.522 -11.977 -20.603 356 H VAL 70 HN VAL 70 1.628 -10.743 -13.925 357 HA VAL 70 HA VAL 70 1.981 -13.514 -13.505 358 HB VAL 70 HB VAL 70 -0.449 -12.049 -14.656 359 HG11 VAL 70 HG11 VAL 70 -1.774 -14.029 -13.938 360 HG12 VAL 70 HG12 VAL 70 -0.286 -14.856 -13.481 361 HG13 VAL 70 HG13 VAL 70 -0.583 -14.452 -15.172 362 HG21 VAL 70 HG21 VAL 70 0.166 -11.205 -12.417 363 HG22 VAL 70 HG22 VAL 70 0.142 -12.848 -11.774 364 HG23 VAL 70 HG23 VAL 70 -1.352 -12.106 -12.349 365 H VAL 71 HN VAL 71 3.006 -14.794 -14.931 366 HA VAL 71 HA VAL 71 2.978 -14.141 -17.799 367 HB VAL 71 HB VAL 71 5.171 -14.479 -16.690 368 HG11 VAL 71 HG11 VAL 71 5.915 -16.696 -15.935 369 HG12 VAL 71 HG12 VAL 71 4.310 -17.356 -16.244 370 HG13 VAL 71 HG13 VAL 71 4.535 -16.134 -14.989 371 HG21 VAL 71 HG21 VAL 71 4.593 -16.609 -18.787 372 HG22 VAL 71 HG22 VAL 71 6.192 -16.010 -18.345 373 HG23 VAL 71 HG23 VAL 71 5.025 -14.926 -19.106 374 H ASP 72 HN ASP 72 1.958 -16.642 -15.526 375 HA ASP 72 HA ASP 72 0.399 -18.016 -17.550 376 HB2 ASP 72 HB2 ASP 72 2.722 -18.982 -17.794 377 HB3 ASP 72 HB1 ASP 72 2.674 -19.464 -16.117 378 H THR 73 HN THR 73 -1.258 -19.169 -16.651 379 HA THR 73 HA THR 73 -1.325 -19.750 -13.760 380 HB THR 73 HB THR 73 -3.781 -19.258 -13.766 381 HG1 THR 73 HG1 THR 73 -4.808 -18.777 -15.561 382 HG21 THR 73 HG21 THR 73 -2.161 -16.871 -14.730 383 HG22 THR 73 HG22 THR 73 -2.239 -17.440 -13.062 384 HG23 THR 73 HG23 THR 73 -3.687 -16.797 -13.841 385 H SER 74 HN SER 74 -2.004 -21.855 -13.328 386 HA SER 74 HA SER 74 -3.040 -23.553 -15.519 387 HB2 SER 74 HB2 SER 74 -0.558 -24.212 -13.864 388 HB3 SER 74 HB1 SER 74 -1.368 -25.331 -14.961 389 HG SER 74 HG SER 74 -0.481 -22.823 -15.887 390 H GLU 75 HN GLU 75 -4.680 -24.770 -14.803 391 HA GLU 75 HA GLU 75 -5.474 -24.777 -12.057 392 HB2 GLU 75 HB2 GLU 75 -6.622 -26.294 -14.433 393 HB3 GLU 75 HB1 GLU 75 -7.323 -26.322 -12.820 394 HG2 GLU 75 HG2 GLU 75 -8.585 -24.787 -14.138 395 HG3 GLU 75 HG1 GLU 75 -7.652 -23.846 -12.973 396 H PHE 76 HN PHE 76 -5.052 -26.183 -10.500 397 HA PHE 76 HA PHE 76 -3.375 -28.508 -11.001 398 HB2 PHE 76 HB2 PHE 76 -2.892 -26.892 -9.139 399 HB3 PHE 76 HB1 PHE 76 -4.387 -27.389 -8.359 400 HD1 PHE 76 HD2 PHE 76 -1.220 -28.856 -9.729 401 HD2 PHE 76 HD1 PHE 76 -4.265 -29.096 -6.735 402 HE1 PHE 76 HE2 PHE 76 0.003 -30.676 -8.627 403 HE2 PHE 76 HE1 PHE 76 -3.030 -30.916 -5.642 404 HZ PHE 76 HZ PHE 76 -0.896 -31.709 -6.583 405 H GLY 77 HN GLY 77 -6.523 -27.844 -9.361 406 HA2 GLY 77 HA2 GLY 77 -8.261 -29.418 -10.533 407 HA3 GLY 77 HA1 GLY 77 -7.321 -30.665 -9.724 408 H ASN 78 HN ASN 78 -6.840 -29.589 -7.265 409 HA ASN 78 HA ASN 78 -9.117 -30.366 -5.841 410 HB2 ASN 78 HB2 ASN 78 -6.908 -30.544 -4.826 411 HB3 ASN 78 HB1 ASN 78 -6.655 -28.808 -4.941 412 HD21 ASN 78 HD21 ASN 78 -8.385 -31.343 -3.214 413 HD22 ASN 78 HD22 ASN 78 -8.790 -30.386 -1.832 414 H SER 79 HN SER 79 -11.024 -29.308 -5.924 415 HA SER 79 HA SER 79 -12.647 -27.789 -5.546 416 HB2 SER 79 HB2 SER 79 -10.533 -26.331 -3.909 417 HB3 SER 79 HB1 SER 79 -12.276 -26.058 -3.808 418 HG SER 79 HG SER 79 -12.426 -28.325 -3.203 419 H GLY 80 HN GLY 80 -10.804 -27.473 -7.853 420 HA2 GLY 80 HA2 GLY 80 -10.557 -26.094 -9.662 421 HA3 GLY 80 HA1 GLY 80 -11.730 -25.003 -8.931 422 H ASN 81 HN ASN 81 -8.662 -26.073 -7.492 423 HA ASN 81 HA ASN 81 -7.714 -23.353 -7.213 424 HB2 ASN 81 HB2 ASN 81 -5.777 -24.273 -6.060 425 HB3 ASN 81 HB1 ASN 81 -7.220 -25.059 -5.443 426 HD21 ASN 81 HD21 ASN 81 -4.527 -25.981 -5.222 427 HD22 ASN 81 HD22 ASN 81 -4.451 -27.512 -6.009 428 H TRP 82 HN TRP 82 -5.959 -22.459 -8.244 429 HA TRP 82 HA TRP 82 -4.616 -23.852 -10.420 430 HB2 TRP 82 HB2 TRP 82 -5.090 -21.850 -11.966 431 HB3 TRP 82 HB1 TRP 82 -6.415 -22.970 -11.702 432 HD1 TRP 82 HD1 TRP 82 -8.337 -22.059 -9.809 433 HE1 TRP 82 HE1 TRP 82 -9.268 -19.680 -9.536 434 HE3 TRP 82 HE3 TRP 82 -4.631 -19.447 -12.164 435 HZ2 TRP 82 HZ2 TRP 82 -8.567 -17.070 -10.243 436 HZ3 TRP 82 HZ3 TRP 82 -4.855 -17.005 -12.324 437 HH2 TRP 82 HH2 TRP 82 -6.771 -15.857 -11.384 438 H ARG 83 HN ARG 83 -2.553 -23.391 -10.386 439 HA ARG 83 HA ARG 83 -1.390 -21.545 -8.560 440 HB2 ARG 83 HB2 ARG 83 0.746 -22.308 -9.348 441 HB3 ARG 83 HB1 ARG 83 -0.313 -23.702 -9.341 442 HG2 ARG 83 HG2 ARG 83 0.761 -24.045 -11.349 443 HG3 ARG 83 HG1 ARG 83 -0.611 -23.107 -11.927 444 HD2 ARG 83 HD2 ARG 83 0.810 -21.068 -11.910 445 HD3 ARG 83 HD1 ARG 83 2.175 -22.027 -11.335 446 HE ARG 83 HE ARG 83 0.922 -22.208 -14.021 447 HH11 ARG 83 HH11 ARG 83 3.682 -22.903 -11.938 448 HH12 ARG 83 HH12 ARG 83 4.709 -23.335 -13.261 449 HH21 ARG 83 HH21 ARG 83 2.306 -22.746 -15.737 450 HH22 ARG 83 HH22 ARG 83 3.938 -23.233 -15.400 451 H VAL 84 HN VAL 84 -0.305 -19.638 -9.001 452 HA VAL 84 HA VAL 84 -0.596 -18.422 -11.680 453 HB VAL 84 HB VAL 84 -0.747 -16.857 -9.048 454 HG11 VAL 84 HG11 VAL 84 -1.490 -14.974 -10.464 455 HG12 VAL 84 HG12 VAL 84 -1.289 -15.973 -11.904 456 HG13 VAL 84 HG13 VAL 84 0.117 -15.539 -10.929 457 HG21 VAL 84 HG21 VAL 84 -2.762 -18.259 -9.235 458 HG22 VAL 84 HG22 VAL 84 -3.069 -17.624 -10.852 459 HG23 VAL 84 HG23 VAL 84 -3.156 -16.553 -9.453 460 H VAL 85 HN VAL 85 1.474 -18.686 -12.367 461 HA VAL 85 HA VAL 85 3.705 -17.951 -10.604 462 HB VAL 85 HB VAL 85 4.038 -20.004 -11.908 463 HG11 VAL 85 HG11 VAL 85 3.799 -18.329 -14.406 464 HG12 VAL 85 HG12 VAL 85 2.676 -19.577 -13.867 465 HG13 VAL 85 HG13 VAL 85 4.315 -20.016 -14.348 466 HG21 VAL 85 HG21 VAL 85 6.030 -18.672 -11.321 467 HG22 VAL 85 HG22 VAL 85 5.900 -17.793 -12.844 468 HG23 VAL 85 HG23 VAL 85 6.273 -19.517 -12.853 469 H ALA 86 HN ALA 86 4.812 -16.113 -10.845 470 HA ALA 86 HA ALA 86 4.137 -14.204 -12.950 471 HB1 ALA 86 HB1 ALA 86 2.433 -13.850 -11.206 472 HB2 ALA 86 HB2 ALA 86 3.535 -12.475 -11.299 473 HB3 ALA 86 HB3 ALA 86 3.700 -13.652 -9.992 474 H ASP 87 HN ASP 87 6.089 -13.713 -13.655 475 HA ASP 87 HA ASP 87 8.507 -13.770 -12.176 476 HB2 ASP 87 HB2 ASP 87 7.765 -12.413 -14.806 477 HB3 ASP 87 HB1 ASP 87 9.410 -12.501 -14.178 478 H VAL 88 HN VAL 88 9.490 -12.188 -11.013 479 HA VAL 88 HA VAL 88 8.072 -9.613 -10.698 480 HB VAL 88 HB VAL 88 9.017 -9.570 -8.361 481 HG11 VAL 88 HG11 VAL 88 6.679 -10.175 -8.792 482 HG12 VAL 88 HG12 VAL 88 7.315 -11.081 -7.420 483 HG13 VAL 88 HG13 VAL 88 7.132 -11.873 -8.990 484 HG21 VAL 88 HG21 VAL 88 10.852 -11.219 -8.607 485 HG22 VAL 88 HG22 VAL 88 9.670 -12.511 -8.831 486 HG23 VAL 88 HG23 VAL 88 9.766 -11.657 -7.287 487 H TYR 89 HN TYR 89 9.145 -7.827 -11.019 488 HA TYR 89 HA TYR 89 11.931 -7.978 -11.994 489 HB2 TYR 89 HB2 TYR 89 9.632 -6.215 -12.973 490 HB3 TYR 89 HB1 TYR 89 11.266 -6.204 -13.618 491 HD1 TYR 89 HD1 TYR 89 8.321 -8.481 -13.164 492 HD2 TYR 89 HD2 TYR 89 11.758 -7.545 -15.512 493 HE1 TYR 89 HE1 TYR 89 7.620 -10.124 -14.848 494 HE2 TYR 89 HE2 TYR 89 11.059 -9.192 -17.193 495 HH TYR 89 HH TYR 89 9.664 -11.233 -17.320 496 H LYS 90 HN LYS 90 13.144 -6.002 -11.842 497 HA LYS 90 HA LYS 90 12.276 -4.075 -9.764 498 HB2 LYS 90 HB2 LYS 90 15.054 -4.715 -10.855 499 HB3 LYS 90 HB1 LYS 90 14.716 -3.431 -9.700 500 HG2 LYS 90 HG2 LYS 90 14.280 -6.399 -9.214 501 HG3 LYS 90 HG1 LYS 90 15.639 -5.448 -8.611 502 HD2 LYS 90 HD2 LYS 90 12.705 -5.037 -7.879 503 HD3 LYS 90 HD1 LYS 90 13.925 -5.797 -6.857 504 HE2 LYS 90 HE2 LYS 90 15.189 -3.632 -6.834 505 HE3 LYS 90 HE1 LYS 90 13.882 -2.895 -7.763 506 HZ1 LYS 90 HZ1 LYS 90 13.728 -2.471 -5.376 507 HZ2 LYS 90 HZ2 LYS 90 13.569 -4.128 -5.085 508 HZ3 LYS 90 HZ3 LYS 90 12.376 -3.306 -5.956 509 H ALA 91 HN ALA 91 13.133 -1.798 -10.227 510 HA ALA 91 HA ALA 91 12.311 -1.015 -12.933 511 HB1 ALA 91 HB1 ALA 91 12.761 0.701 -10.465 512 HB2 ALA 91 HB2 ALA 91 11.205 0.099 -11.039 513 HB3 ALA 91 HB3 ALA 91 12.114 1.257 -12.012 Start of MODEL 10 1 H HIS 21 HT1 HIS 21 3.257 0.740 -3.175 2 HA HIS 21 HA HIS 21 2.790 -1.639 -1.485 3 HB2 HIS 21 HB2 HIS 21 1.134 0.898 -1.844 4 HB3 HIS 21 HB1 HIS 21 0.518 -0.568 -1.080 5 HD1 HIS 21 HD1 HIS 21 1.457 2.519 -0.004 6 HD2 HIS 21 HD2 HIS 21 2.829 -1.262 1.047 7 HE1 HIS 21 HE1 HIS 21 2.448 2.778 2.284 8 HE2 HIS 21 HE2 HIS 21 3.488 0.548 2.776 9 H ALA 22 HN ALA 22 2.151 -3.276 -2.682 10 HA ALA 22 HA ALA 22 1.406 -4.602 -4.325 11 HB1 ALA 22 HB1 ALA 22 -0.660 -2.437 -4.826 12 HB2 ALA 22 HB2 ALA 22 -0.794 -3.731 -3.635 13 HB3 ALA 22 HB3 ALA 22 -0.763 -4.120 -5.357 14 H ALA 23 HN ALA 23 3.053 -4.759 -5.730 15 HA ALA 23 HA ALA 23 4.184 -2.814 -7.345 16 HB1 ALA 23 HB1 ALA 23 4.185 -5.814 -7.812 17 HB2 ALA 23 HB2 ALA 23 5.293 -4.929 -6.762 18 HB3 ALA 23 HB3 ALA 23 5.323 -4.653 -8.504 19 H THR 24 HN THR 24 3.937 -2.161 -9.429 20 HA THR 24 HA THR 24 1.389 -2.271 -10.691 21 HB THR 24 HB THR 24 4.099 -1.333 -11.766 22 HG1 THR 24 HG1 THR 24 2.061 0.365 -10.777 23 HG21 THR 24 HG21 THR 24 2.465 -1.615 -13.619 24 HG22 THR 24 HG22 THR 24 2.809 0.091 -13.330 25 HG23 THR 24 HG23 THR 24 1.300 -0.613 -12.747 26 H GLU 25 HN GLU 25 0.621 -3.705 -12.279 27 HA GLU 25 HA GLU 25 2.210 -5.942 -13.090 28 HB2 GLU 25 HB2 GLU 25 -0.263 -6.082 -13.011 29 HB3 GLU 25 HB1 GLU 25 -0.390 -4.908 -14.322 30 HG2 GLU 25 HG2 GLU 25 0.621 -6.448 -15.895 31 HG3 GLU 25 HG1 GLU 25 1.032 -7.578 -14.605 32 H LEU 26 HN LEU 26 3.820 -5.826 -14.450 33 HA LEU 26 HA LEU 26 4.366 -3.626 -16.173 34 HB2 LEU 26 HB2 LEU 26 6.078 -5.137 -14.959 35 HB3 LEU 26 HB1 LEU 26 5.759 -6.337 -16.199 36 HG LEU 26 HG LEU 26 6.553 -4.721 -17.944 37 HD11 LEU 26 HD11 LEU 26 7.747 -2.668 -17.270 38 HD12 LEU 26 HD12 LEU 26 7.254 -2.923 -15.594 39 HD13 LEU 26 HD13 LEU 26 6.040 -2.604 -16.837 40 HD21 LEU 26 HD21 LEU 26 8.579 -5.230 -15.735 41 HD22 LEU 26 HD22 LEU 26 8.947 -4.873 -17.426 42 HD23 LEU 26 HD23 LEU 26 8.119 -6.371 -17.004 43 H THR 27 HN THR 27 4.065 -3.505 -18.394 44 HA THR 27 HA THR 27 2.039 -5.145 -19.552 45 HB THR 27 HB THR 27 2.391 -3.721 -21.591 46 HG1 THR 27 HG1 THR 27 3.951 -1.971 -21.322 47 HG21 THR 27 HG21 THR 27 2.294 -2.098 -19.010 48 HG22 THR 27 HG22 THR 27 0.908 -2.895 -19.760 49 HG23 THR 27 HG23 THR 27 1.721 -1.571 -20.595 50 HA PRO 28 HA PRO 28 4.259 -8.543 -21.538 51 HB2 PRO 28 HB2 PRO 28 2.776 -7.606 -24.011 52 HB3 PRO 28 HB1 PRO 28 2.968 -9.249 -23.375 53 HG2 PRO 28 HG2 PRO 28 0.693 -7.906 -23.000 54 HG3 PRO 28 HG1 PRO 28 1.355 -8.926 -21.705 55 HD2 PRO 28 HD2 PRO 28 1.317 -5.936 -21.933 56 HD3 PRO 28 HD1 PRO 28 1.271 -6.960 -20.483 57 H GLU 29 HN GLU 29 4.111 -5.453 -23.202 58 HA GLU 29 HA GLU 29 6.150 -5.960 -25.130 59 HB2 GLU 29 HB2 GLU 29 4.887 -3.334 -24.231 60 HB3 GLU 29 HB1 GLU 29 5.844 -3.569 -25.697 61 HG2 GLU 29 HG2 GLU 29 4.148 -5.208 -26.509 62 HG3 GLU 29 HG1 GLU 29 3.178 -4.886 -25.073 63 H GLN 30 HN GLN 30 6.100 -4.276 -21.985 64 HA GLN 30 HA GLN 30 8.863 -3.461 -22.060 65 HB2 GLN 30 HB2 GLN 30 6.920 -3.710 -19.726 66 HB3 GLN 30 HB1 GLN 30 8.540 -3.023 -19.602 67 HG2 GLN 30 HG2 GLN 30 6.259 -1.912 -21.266 68 HG3 GLN 30 HG1 GLN 30 6.790 -1.296 -19.705 69 HE21 GLN 30 HE21 GLN 30 8.840 -0.243 -19.569 70 HE22 GLN 30 HE22 GLN 30 9.575 0.450 -20.970 71 H ALA 31 HN ALA 31 7.053 -6.071 -20.488 72 HA ALA 31 HA ALA 31 9.147 -7.258 -19.022 73 HB1 ALA 31 HB1 ALA 31 6.539 -8.499 -19.963 74 HB2 ALA 31 HB2 ALA 31 6.771 -7.578 -18.475 75 HB3 ALA 31 HB3 ALA 31 7.587 -9.129 -18.685 76 H ALA 32 HN ALA 32 8.284 -7.492 -22.357 77 HA ALA 32 HA ALA 32 9.084 -10.022 -23.159 78 HB1 ALA 32 HB1 ALA 32 7.894 -8.422 -24.606 79 HB2 ALA 32 HB2 ALA 32 9.341 -9.037 -25.406 80 HB3 ALA 32 HB3 ALA 32 9.342 -7.417 -24.701 81 H ALA 33 HN ALA 33 11.100 -7.039 -23.101 82 HA ALA 33 HA ALA 33 13.513 -8.611 -23.717 83 HB1 ALA 33 HB1 ALA 33 13.150 -5.596 -23.686 84 HB2 ALA 33 HB2 ALA 33 13.049 -6.625 -25.113 85 HB3 ALA 33 HB3 ALA 33 14.576 -6.471 -24.246 86 H LEU 34 HN LEU 34 11.998 -6.973 -21.032 87 HA LEU 34 HA LEU 34 14.446 -6.512 -19.544 88 HB2 LEU 34 HB2 LEU 34 11.526 -6.381 -18.679 89 HB3 LEU 34 HB1 LEU 34 12.874 -5.975 -17.629 90 HG LEU 34 HG LEU 34 12.192 -4.510 -20.209 91 HD11 LEU 34 HD11 LEU 34 10.470 -4.117 -18.525 92 HD12 LEU 34 HD12 LEU 34 11.426 -2.660 -18.786 93 HD13 LEU 34 HD13 LEU 34 11.695 -3.643 -17.344 94 HD21 LEU 34 HD21 LEU 34 14.593 -4.415 -19.737 95 HD22 LEU 34 HD22 LEU 34 14.276 -3.846 -18.094 96 HD23 LEU 34 HD23 LEU 34 13.851 -2.838 -19.481 97 H LYS 35 HN LYS 35 15.405 -7.818 -18.162 98 HA LYS 35 HA LYS 35 14.518 -10.555 -17.739 99 HB2 LYS 35 HB2 LYS 35 16.865 -10.161 -18.320 100 HB3 LYS 35 HB1 LYS 35 17.061 -9.065 -16.955 101 HG2 LYS 35 HG2 LYS 35 16.647 -10.998 -15.405 102 HG3 LYS 35 HG1 LYS 35 16.593 -12.072 -16.810 103 HD2 LYS 35 HD2 LYS 35 18.993 -10.333 -16.069 104 HD3 LYS 35 HD1 LYS 35 18.816 -12.023 -15.590 105 HE2 LYS 35 HE2 LYS 35 18.873 -11.055 -18.477 106 HE3 LYS 35 HE1 LYS 35 20.266 -11.699 -17.604 107 HZ1 LYS 35 HZ1 LYS 35 17.751 -13.159 -18.205 108 HZ2 LYS 35 HZ2 LYS 35 19.038 -13.778 -17.305 109 HZ3 LYS 35 HZ3 LYS 35 19.255 -13.403 -18.936 110 HA PRO 36 HA PRO 36 13.050 -9.418 -13.508 111 HB2 PRO 36 HB2 PRO 36 11.916 -11.789 -12.890 112 HB3 PRO 36 HB1 PRO 36 11.154 -10.701 -14.066 113 HG2 PRO 36 HG2 PRO 36 12.926 -13.103 -14.583 114 HG3 PRO 36 HG1 PRO 36 11.358 -12.699 -15.319 115 HD2 PRO 36 HD2 PRO 36 13.730 -12.140 -16.547 116 HD3 PRO 36 HD1 PRO 36 12.288 -11.119 -16.754 117 H TYR 37 HN TYR 37 13.572 -10.314 -11.324 118 HA TYR 37 HA TYR 37 16.242 -11.556 -11.300 119 HB2 TYR 37 HB2 TYR 37 16.437 -10.809 -8.982 120 HB3 TYR 37 HB1 TYR 37 16.024 -9.472 -10.036 121 HD1 TYR 37 HD1 TYR 37 13.752 -8.411 -9.874 122 HD2 TYR 37 HD2 TYR 37 14.931 -11.498 -7.161 123 HE1 TYR 37 HE1 TYR 37 11.947 -7.758 -8.334 124 HE2 TYR 37 HE2 TYR 37 13.125 -10.840 -5.633 125 HH TYR 37 HH TYR 37 11.736 -8.931 -5.124 126 H ASP 38 HN ASP 38 12.925 -12.331 -10.555 127 HA ASP 38 HA ASP 38 13.510 -15.076 -9.949 128 HB2 ASP 38 HB2 ASP 38 14.034 -13.649 -7.768 129 HB3 ASP 38 HB1 ASP 38 12.290 -13.563 -7.599 130 H ARG 39 HN ARG 39 11.218 -15.955 -8.785 131 HA ARG 39 HA ARG 39 8.860 -14.678 -10.006 132 HB2 ARG 39 HB2 ARG 39 9.768 -17.557 -10.344 133 HB3 ARG 39 HB1 ARG 39 8.054 -17.167 -10.416 134 HG2 ARG 39 HG2 ARG 39 8.264 -15.950 -12.405 135 HG3 ARG 39 HG1 ARG 39 9.991 -15.676 -12.177 136 HD2 ARG 39 HD2 ARG 39 8.763 -18.385 -12.802 137 HD3 ARG 39 HD1 ARG 39 9.466 -17.295 -14.007 138 HE ARG 39 HE ARG 39 10.864 -19.008 -12.186 139 HH11 ARG 39 HH11 ARG 39 11.207 -15.963 -13.930 140 HH12 ARG 39 HH12 ARG 39 12.940 -16.025 -13.919 141 HH21 ARG 39 HH21 ARG 39 13.139 -19.031 -12.161 142 HH22 ARG 39 HH22 ARG 39 14.025 -17.750 -12.922 143 H ILE 40 HN ILE 40 7.136 -14.641 -8.697 144 HA ILE 40 HA ILE 40 7.154 -16.096 -6.120 145 HB ILE 40 HB ILE 40 5.323 -14.518 -5.456 146 HG12 ILE 40 HG12 ILE 40 5.886 -13.172 -8.148 147 HG13 ILE 40 HG11 ILE 40 4.405 -14.018 -7.716 148 HG21 ILE 40 HG21 ILE 40 7.852 -13.103 -6.397 149 HG22 ILE 40 HG22 ILE 40 7.668 -13.989 -4.881 150 HG23 ILE 40 HG23 ILE 40 6.737 -12.518 -5.157 151 HD11 ILE 40 HD11 ILE 40 5.421 -11.472 -6.472 152 HD12 ILE 40 HD12 ILE 40 3.934 -12.318 -6.030 153 HD13 ILE 40 HD13 ILE 40 4.114 -11.633 -7.643 154 H VAL 41 HN VAL 41 5.427 -17.456 -5.576 155 HA VAL 41 HA VAL 41 3.373 -18.022 -7.638 156 HB VAL 41 HB VAL 41 4.806 -20.195 -6.031 157 HG11 VAL 41 HG11 VAL 41 3.564 -21.776 -7.487 158 HG12 VAL 41 HG12 VAL 41 2.750 -20.423 -8.274 159 HG13 VAL 41 HG13 VAL 41 2.460 -20.754 -6.564 160 HG21 VAL 41 HG21 VAL 41 5.853 -20.917 -8.160 161 HG22 VAL 41 HG22 VAL 41 6.357 -19.284 -7.716 162 HG23 VAL 41 HG23 VAL 41 5.149 -19.520 -8.981 163 H ILE 42 HN ILE 42 1.501 -17.483 -6.714 164 HA ILE 42 HA ILE 42 0.911 -18.214 -3.892 165 HB ILE 42 HB ILE 42 -1.107 -16.789 -4.111 166 HG12 ILE 42 HG12 ILE 42 -0.113 -16.090 -6.919 167 HG13 ILE 42 HG11 ILE 42 -1.484 -17.137 -6.579 168 HG21 ILE 42 HG21 ILE 42 1.417 -15.315 -4.962 169 HG22 ILE 42 HG22 ILE 42 0.973 -15.736 -3.308 170 HG23 ILE 42 HG23 ILE 42 -0.002 -14.576 -4.212 171 HD11 ILE 42 HD11 ILE 42 -2.218 -14.941 -7.216 172 HD12 ILE 42 HD12 ILE 42 -1.275 -14.206 -5.921 173 HD13 ILE 42 HD13 ILE 42 -2.647 -15.249 -5.535 174 H THR 43 HN THR 43 -1.124 -19.377 -3.486 175 HA THR 43 HA THR 43 -2.435 -20.753 -5.729 176 HB THR 43 HB THR 43 -1.210 -22.328 -3.394 177 HG1 THR 43 HG1 THR 43 -0.141 -21.564 -5.794 178 HG21 THR 43 HG21 THR 43 -3.263 -23.388 -4.311 179 HG22 THR 43 HG22 THR 43 -1.828 -24.339 -4.696 180 HG23 THR 43 HG23 THR 43 -2.566 -23.325 -5.936 181 H GLY 44 HN GLY 44 -4.598 -21.392 -5.207 182 HA2 GLY 44 HA2 GLY 44 -5.587 -21.556 -2.538 183 HA3 GLY 44 HA1 GLY 44 -6.002 -20.004 -3.250 184 H ARG 45 HN ARG 45 -7.793 -22.012 -2.339 185 HA ARG 45 HA ARG 45 -9.094 -23.136 -4.710 186 HB2 ARG 45 HB2 ARG 45 -9.879 -23.278 -1.763 187 HB3 ARG 45 HB1 ARG 45 -10.667 -24.153 -3.078 188 HG2 ARG 45 HG2 ARG 45 -8.533 -25.381 -3.489 189 HG3 ARG 45 HG1 ARG 45 -7.814 -24.550 -2.105 190 HD2 ARG 45 HD2 ARG 45 -8.582 -26.821 -1.506 191 HD3 ARG 45 HD1 ARG 45 -9.469 -25.589 -0.609 192 HE ARG 45 HE ARG 45 -11.394 -26.021 -1.894 193 HH11 ARG 45 HH11 ARG 45 -8.779 -28.183 -2.808 194 HH12 ARG 45 HH12 ARG 45 -9.827 -29.296 -3.620 195 HH21 ARG 45 HH21 ARG 45 -12.758 -27.494 -2.995 196 HH22 ARG 45 HH22 ARG 45 -12.074 -28.914 -3.719 197 H PHE 46 HN PHE 46 -10.834 -22.239 -5.644 198 HA PHE 46 HA PHE 46 -12.485 -20.850 -6.249 199 HB2 PHE 46 HB2 PHE 46 -13.547 -21.919 -4.209 200 HB3 PHE 46 HB1 PHE 46 -13.041 -20.523 -3.264 201 HD1 PHE 46 HD2 PHE 46 -14.874 -21.221 -6.484 202 HD2 PHE 46 HD1 PHE 46 -14.698 -18.883 -2.904 203 HE1 PHE 46 HE2 PHE 46 -16.919 -20.032 -7.148 204 HE2 PHE 46 HE1 PHE 46 -16.741 -17.693 -3.586 205 HZ PHE 46 HZ PHE 46 -17.854 -18.269 -5.706 206 H ASN 47 HN ASN 47 -9.770 -19.706 -5.605 207 HA ASN 47 HA ASN 47 -10.172 -16.940 -4.866 208 HB2 ASN 47 HB2 ASN 47 -7.824 -18.423 -6.142 209 HB3 ASN 47 HB1 ASN 47 -7.794 -16.690 -5.847 210 HD21 ASN 47 HD21 ASN 47 -9.251 -19.034 -3.603 211 HD22 ASN 47 HD22 ASN 47 -8.076 -18.819 -2.362 212 H ALA 48 HN ALA 48 -11.243 -15.567 -6.171 213 HA ALA 48 HA ALA 48 -11.595 -15.968 -8.990 214 HB1 ALA 48 HB1 ALA 48 -12.671 -13.761 -8.970 215 HB2 ALA 48 HB2 ALA 48 -12.093 -13.474 -7.326 216 HB3 ALA 48 HB3 ALA 48 -13.264 -14.757 -7.638 217 H ILE 49 HN ILE 49 -10.806 -14.441 -10.664 218 HA ILE 49 HA ILE 49 -8.016 -14.239 -10.690 219 HB ILE 49 HB ILE 49 -9.302 -14.353 -12.776 220 HG12 ILE 49 HG12 ILE 49 -8.074 -12.626 -14.132 221 HG13 ILE 49 HG11 ILE 49 -7.625 -11.792 -12.650 222 HG21 ILE 49 HG21 ILE 49 -10.260 -11.530 -12.206 223 HG22 ILE 49 HG22 ILE 49 -11.245 -12.993 -12.183 224 HG23 ILE 49 HG23 ILE 49 -10.542 -12.430 -13.701 225 HD11 ILE 49 HD11 ILE 49 -5.792 -13.106 -13.545 226 HD12 ILE 49 HD12 ILE 49 -6.762 -14.574 -13.449 227 HD13 ILE 49 HD13 ILE 49 -6.285 -13.731 -11.971 228 H GLY 50 HN GLY 50 -10.448 -11.852 -9.754 229 HA2 GLY 50 HA2 GLY 50 -8.858 -9.542 -9.503 230 HA3 GLY 50 HA1 GLY 50 -10.330 -9.876 -8.603 231 H ASP 51 HN ASP 51 -9.640 -12.083 -7.129 232 HA ASP 51 HA ASP 51 -8.188 -11.039 -4.916 233 HB2 ASP 51 HB2 ASP 51 -8.969 -13.936 -5.514 234 HB3 ASP 51 HB1 ASP 51 -8.376 -13.353 -3.957 235 H ALA 52 HN ALA 52 -7.375 -13.243 -7.522 236 HA ALA 52 HA ALA 52 -4.880 -14.203 -6.607 237 HB1 ALA 52 HB1 ALA 52 -4.554 -14.989 -8.927 238 HB2 ALA 52 HB2 ALA 52 -5.917 -14.003 -9.463 239 HB3 ALA 52 HB3 ALA 52 -6.187 -15.355 -8.362 240 H VAL 53 HN VAL 53 -5.744 -11.550 -8.852 241 HA VAL 53 HA VAL 53 -3.076 -10.719 -9.371 242 HB VAL 53 HB VAL 53 -5.676 -9.166 -9.749 243 HG11 VAL 53 HG11 VAL 53 -2.896 -8.522 -10.838 244 HG12 VAL 53 HG12 VAL 53 -3.770 -7.590 -9.620 245 HG13 VAL 53 HG13 VAL 53 -4.386 -7.676 -11.270 246 HG21 VAL 53 HG21 VAL 53 -5.543 -11.242 -11.100 247 HG22 VAL 53 HG22 VAL 53 -3.995 -10.717 -11.765 248 HG23 VAL 53 HG23 VAL 53 -5.464 -9.807 -12.126 249 H SER 54 HN SER 54 -5.501 -9.745 -6.975 250 HA SER 54 HA SER 54 -4.137 -7.505 -5.902 251 HB2 SER 54 HB2 SER 54 -6.534 -7.926 -5.462 252 HB3 SER 54 HB1 SER 54 -6.126 -9.365 -4.521 253 HG SER 54 HG SER 54 -6.400 -6.994 -3.573 254 H ALA 55 HN ALA 55 -4.036 -10.962 -5.095 255 HA ALA 55 HA ALA 55 -2.376 -10.725 -2.778 256 HB1 ALA 55 HB1 ALA 55 -2.205 -13.189 -2.925 257 HB2 ALA 55 HB2 ALA 55 -2.948 -13.141 -4.528 258 HB3 ALA 55 HB3 ALA 55 -3.875 -12.643 -3.113 259 H VAL 56 HN VAL 56 -1.755 -11.474 -6.210 260 HA VAL 56 HA VAL 56 1.016 -12.130 -5.815 261 HB VAL 56 HB VAL 56 -0.523 -13.067 -7.653 262 HG11 VAL 56 HG11 VAL 56 -0.656 -11.888 -9.799 263 HG12 VAL 56 HG12 VAL 56 0.150 -10.488 -9.088 264 HG13 VAL 56 HG13 VAL 56 -1.442 -10.972 -8.510 265 HG21 VAL 56 HG21 VAL 56 2.212 -12.069 -8.511 266 HG22 VAL 56 HG22 VAL 56 1.307 -13.381 -9.275 267 HG23 VAL 56 HG23 VAL 56 1.880 -13.553 -7.614 268 H SER 57 HN SER 57 -0.751 -9.188 -6.629 269 HA SER 57 HA SER 57 1.469 -7.670 -7.623 270 HB2 SER 57 HB2 SER 57 -0.019 -5.677 -7.279 271 HB3 SER 57 HB1 SER 57 -0.814 -6.972 -8.177 272 HG SER 57 HG SER 57 -2.284 -6.916 -6.710 273 H ARG 58 HN ARG 58 -0.206 -7.787 -4.448 274 HA ARG 58 HA ARG 58 1.521 -5.982 -3.130 275 HB2 ARG 58 HB2 ARG 58 -0.696 -6.551 -2.176 276 HB3 ARG 58 HB1 ARG 58 -0.145 -8.200 -1.860 277 HG2 ARG 58 HG2 ARG 58 1.596 -7.321 -0.325 278 HG3 ARG 58 HG1 ARG 58 1.051 -5.678 -0.654 279 HD2 ARG 58 HD2 ARG 58 -1.116 -6.179 0.402 280 HD3 ARG 58 HD1 ARG 58 -0.584 -7.844 0.700 281 HE ARG 58 HE ARG 58 1.335 -6.145 1.815 282 HH11 ARG 58 HH11 ARG 58 -2.030 -6.934 2.404 283 HH12 ARG 58 HH12 ARG 58 -1.954 -6.535 4.088 284 HH21 ARG 58 HH21 ARG 58 1.423 -5.626 4.022 285 HH22 ARG 58 HH22 ARG 58 0.005 -5.787 5.004 286 H ARG 59 HN ARG 59 1.554 -9.539 -3.387 287 HA ARG 59 HA ARG 59 3.719 -10.109 -1.715 288 HB2 ARG 59 HB2 ARG 59 2.319 -11.912 -2.415 289 HB3 ARG 59 HB1 ARG 59 2.593 -11.579 -4.115 290 HG2 ARG 59 HG2 ARG 59 3.727 -13.643 -3.324 291 HG3 ARG 59 HG1 ARG 59 4.844 -12.463 -4.003 292 HD2 ARG 59 HD2 ARG 59 5.757 -13.552 -1.982 293 HD3 ARG 59 HD1 ARG 59 5.577 -11.811 -1.766 294 HE ARG 59 HE ARG 59 3.349 -13.389 -0.791 295 HH11 ARG 59 HH11 ARG 59 6.420 -11.901 0.050 296 HH12 ARG 59 HH12 ARG 59 6.102 -11.954 1.754 297 HH21 ARG 59 HH21 ARG 59 2.971 -13.463 1.432 298 HH22 ARG 59 HH22 ARG 59 4.154 -12.844 2.537 299 H ALA 60 HN ALA 60 3.717 -9.297 -5.193 300 HA ALA 60 HA ALA 60 6.465 -9.556 -5.735 301 HB1 ALA 60 HB1 ALA 60 6.044 -8.022 -7.626 302 HB2 ALA 60 HB2 ALA 60 4.490 -7.569 -6.916 303 HB3 ALA 60 HB3 ALA 60 4.756 -9.221 -7.478 304 H ASP 61 HN ASP 61 4.602 -6.776 -4.562 305 HA ASP 61 HA ASP 61 6.729 -4.915 -4.291 306 HB2 ASP 61 HB2 ASP 61 4.297 -4.311 -4.438 307 HB3 ASP 61 HB1 ASP 61 4.046 -4.996 -2.842 308 H GLU 62 HN GLU 62 5.455 -7.418 -2.146 309 HA GLU 62 HA GLU 62 6.775 -6.611 0.264 310 HB2 GLU 62 HB2 GLU 62 5.735 -9.359 -0.558 311 HB3 GLU 62 HB1 GLU 62 6.315 -8.952 1.054 312 HG2 GLU 62 HG2 GLU 62 3.840 -7.883 -0.327 313 HG3 GLU 62 HG1 GLU 62 3.900 -8.992 1.033 314 H GLU 63 HN GLU 63 7.654 -8.591 -2.522 315 HA GLU 63 HA GLU 63 10.208 -9.422 -1.412 316 HB2 GLU 63 HB2 GLU 63 9.231 -9.648 -4.293 317 HB3 GLU 63 HB1 GLU 63 10.608 -10.491 -3.578 318 HG2 GLU 63 HG2 GLU 63 7.660 -10.921 -3.014 319 HG3 GLU 63 HG1 GLU 63 8.792 -12.050 -3.747 320 H GLY 64 HN GLY 64 9.111 -6.514 -2.496 321 HA2 GLY 64 HA2 GLY 64 10.370 -4.556 -2.519 322 HA3 GLY 64 HA1 GLY 64 11.830 -5.485 -2.805 323 H ALA 65 HN ALA 65 9.425 -6.508 -4.902 324 HA ALA 65 HA ALA 65 10.702 -5.363 -7.218 325 HB1 ALA 65 HB1 ALA 65 8.211 -7.104 -7.046 326 HB2 ALA 65 HB2 ALA 65 9.866 -7.682 -7.256 327 HB3 ALA 65 HB3 ALA 65 9.107 -6.708 -8.516 328 H ALA 66 HN ALA 66 10.055 -3.710 -8.423 329 HA ALA 66 HA ALA 66 7.973 -1.882 -7.625 330 HB1 ALA 66 HB1 ALA 66 10.108 -1.078 -8.560 331 HB2 ALA 66 HB2 ALA 66 8.758 -0.559 -9.576 332 HB3 ALA 66 HB3 ALA 66 9.774 -1.920 -10.078 333 H SER 67 HN SER 67 8.305 -4.504 -9.868 334 HA SER 67 HA SER 67 5.567 -4.252 -10.836 335 HB2 SER 67 HB2 SER 67 7.979 -4.338 -12.714 336 HB3 SER 67 HB1 SER 67 6.300 -4.529 -13.230 337 HG SER 67 HG SER 67 6.268 -2.347 -11.859 338 H PHE 68 HN PHE 68 4.944 -6.172 -12.165 339 HA PHE 68 HA PHE 68 6.570 -8.586 -11.934 340 HB2 PHE 68 HB2 PHE 68 4.906 -9.944 -10.828 341 HB3 PHE 68 HB1 PHE 68 5.112 -8.510 -9.836 342 HD1 PHE 68 HD2 PHE 68 3.324 -6.686 -9.909 343 HD2 PHE 68 HD1 PHE 68 2.750 -10.499 -11.770 344 HE1 PHE 68 HE2 PHE 68 0.900 -6.287 -10.014 345 HE2 PHE 68 HE1 PHE 68 0.333 -10.078 -11.876 346 HZ PHE 68 HZ PHE 68 -0.596 -7.983 -10.993 347 H TYR 69 HN TYR 69 5.457 -10.426 -13.169 348 HA TYR 69 HA TYR 69 3.389 -9.696 -15.045 349 HB2 TYR 69 HB2 TYR 69 5.528 -8.986 -16.214 350 HB3 TYR 69 HB1 TYR 69 6.074 -10.661 -16.165 351 HD1 TYR 69 HD1 TYR 69 3.547 -8.364 -17.586 352 HD2 TYR 69 HD2 TYR 69 5.124 -12.308 -17.735 353 HE1 TYR 69 HE1 TYR 69 2.255 -8.806 -19.612 354 HE2 TYR 69 HE2 TYR 69 3.845 -12.759 -19.780 355 HH TYR 69 HH TYR 69 1.719 -11.860 -20.825 356 H VAL 70 HN VAL 70 2.040 -11.344 -14.972 357 HA VAL 70 HA VAL 70 2.637 -13.888 -13.862 358 HB VAL 70 HB VAL 70 0.172 -13.021 -15.445 359 HG11 VAL 70 HG11 VAL 70 -0.984 -14.903 -14.307 360 HG12 VAL 70 HG12 VAL 70 0.541 -15.402 -13.574 361 HG13 VAL 70 HG13 VAL 70 0.337 -15.476 -15.327 362 HG21 VAL 70 HG21 VAL 70 -0.884 -12.589 -13.247 363 HG22 VAL 70 HG22 VAL 70 0.535 -11.567 -13.477 364 HG23 VAL 70 HG23 VAL 70 0.631 -12.985 -12.428 365 H VAL 71 HN VAL 71 3.928 -15.273 -14.909 366 HA VAL 71 HA VAL 71 3.996 -15.513 -17.805 367 HB VAL 71 HB VAL 71 6.130 -15.648 -16.614 368 HG11 VAL 71 HG11 VAL 71 5.092 -18.140 -15.212 369 HG12 VAL 71 HG12 VAL 71 5.407 -16.577 -14.459 370 HG13 VAL 71 HG13 VAL 71 6.745 -17.518 -15.119 371 HG21 VAL 71 HG21 VAL 71 5.947 -16.881 -18.739 372 HG22 VAL 71 HG22 VAL 71 5.420 -18.329 -17.877 373 HG23 VAL 71 HG23 VAL 71 7.055 -17.707 -17.640 374 H ASP 72 HN ASP 72 2.858 -17.367 -14.998 375 HA ASP 72 HA ASP 72 1.748 -19.448 -16.775 376 HB2 ASP 72 HB2 ASP 72 3.974 -20.212 -15.919 377 HB3 ASP 72 HB1 ASP 72 3.423 -19.962 -14.268 378 H THR 73 HN THR 73 -0.311 -19.727 -16.334 379 HA THR 73 HA THR 73 -1.274 -19.742 -13.532 380 HB THR 73 HB THR 73 -3.604 -19.375 -14.645 381 HG1 THR 73 HG1 THR 73 -2.011 -18.283 -16.746 382 HG21 THR 73 HG21 THR 73 -3.373 -16.917 -14.674 383 HG22 THR 73 HG22 THR 73 -1.617 -17.081 -14.708 384 HG23 THR 73 HG23 THR 73 -2.523 -17.620 -13.292 385 H SER 74 HN SER 74 -1.614 -21.765 -12.913 386 HA SER 74 HA SER 74 -2.673 -23.808 -14.749 387 HB2 SER 74 HB2 SER 74 -0.189 -24.079 -14.774 388 HB3 SER 74 HB1 SER 74 -0.181 -24.180 -13.013 389 HG SER 74 HG SER 74 -1.123 -26.045 -14.908 390 H GLU 75 HN GLU 75 -3.358 -25.760 -13.439 391 HA GLU 75 HA GLU 75 -4.432 -24.995 -10.802 392 HB2 GLU 75 HB2 GLU 75 -6.734 -25.473 -11.446 393 HB3 GLU 75 HB1 GLU 75 -6.086 -24.249 -12.527 394 HG2 GLU 75 HG2 GLU 75 -6.470 -27.190 -13.194 395 HG3 GLU 75 HG1 GLU 75 -7.517 -25.868 -13.706 396 H PHE 76 HN PHE 76 -5.750 -26.832 -9.914 397 HA PHE 76 HA PHE 76 -4.331 -29.349 -9.984 398 HB2 PHE 76 HB2 PHE 76 -5.338 -28.273 -7.902 399 HB3 PHE 76 HB1 PHE 76 -6.940 -28.580 -8.556 400 HD1 PHE 76 HD2 PHE 76 -3.783 -30.330 -7.514 401 HD2 PHE 76 HD1 PHE 76 -8.020 -30.633 -8.029 402 HE1 PHE 76 HE2 PHE 76 -3.759 -32.558 -6.473 403 HE2 PHE 76 HE1 PHE 76 -7.983 -32.857 -6.991 404 HZ PHE 76 HZ PHE 76 -5.855 -33.826 -6.218 405 H GLY 77 HN GLY 77 -5.820 -31.418 -10.190 406 HA2 GLY 77 HA2 GLY 77 -6.982 -31.698 -12.721 407 HA3 GLY 77 HA1 GLY 77 -7.251 -32.770 -11.352 408 H ASN 78 HN ASN 78 -8.356 -30.484 -9.764 409 HA ASN 78 HA ASN 78 -11.084 -30.311 -10.865 410 HB2 ASN 78 HB2 ASN 78 -10.065 -29.707 -8.049 411 HB3 ASN 78 HB1 ASN 78 -11.752 -29.751 -8.554 412 HD21 ASN 78 HD21 ASN 78 -10.306 -31.269 -6.477 413 HD22 ASN 78 HD22 ASN 78 -10.586 -32.936 -6.835 414 H SER 79 HN SER 79 -11.792 -28.384 -11.636 415 HA SER 79 HA SER 79 -10.126 -26.045 -11.685 416 HB2 SER 79 HB2 SER 79 -13.031 -26.393 -12.553 417 HB3 SER 79 HB1 SER 79 -12.000 -25.019 -12.946 418 HG SER 79 HG SER 79 -10.846 -27.408 -13.594 419 H GLY 80 HN GLY 80 -10.227 -24.249 -10.432 420 HA2 GLY 80 HA2 GLY 80 -11.723 -22.788 -8.996 421 HA3 GLY 80 HA1 GLY 80 -12.052 -24.259 -8.078 422 H ASN 81 HN ASN 81 -9.660 -25.487 -7.949 423 HA ASN 81 HA ASN 81 -7.971 -23.728 -6.327 424 HB2 ASN 81 HB2 ASN 81 -8.470 -25.976 -5.416 425 HB3 ASN 81 HB1 ASN 81 -7.786 -26.736 -6.849 426 HD21 ASN 81 HD21 ASN 81 -5.504 -26.677 -7.136 427 HD22 ASN 81 HD22 ASN 81 -4.430 -26.368 -5.824 428 H TRP 82 HN TRP 82 -6.564 -22.541 -7.465 429 HA TRP 82 HA TRP 82 -4.795 -23.804 -9.425 430 HB2 TRP 82 HB2 TRP 82 -5.138 -22.033 -11.111 431 HB3 TRP 82 HB1 TRP 82 -6.626 -22.915 -10.822 432 HD1 TRP 82 HD1 TRP 82 -8.235 -21.524 -8.794 433 HE1 TRP 82 HE1 TRP 82 -8.883 -19.061 -8.891 434 HE3 TRP 82 HE3 TRP 82 -4.610 -19.835 -11.971 435 HZ2 TRP 82 HZ2 TRP 82 -8.018 -16.690 -10.117 436 HZ3 TRP 82 HZ3 TRP 82 -4.600 -17.446 -12.569 437 HH2 TRP 82 HH2 TRP 82 -6.270 -15.905 -11.662 438 H ARG 83 HN ARG 83 -3.293 -21.807 -10.253 439 HA ARG 83 HA ARG 83 -2.278 -20.365 -7.937 440 HB2 ARG 83 HB2 ARG 83 -0.093 -21.472 -7.979 441 HB3 ARG 83 HB1 ARG 83 -1.355 -22.657 -7.718 442 HG2 ARG 83 HG2 ARG 83 -0.119 -23.833 -9.242 443 HG3 ARG 83 HG1 ARG 83 -1.144 -22.960 -10.378 444 HD2 ARG 83 HD2 ARG 83 0.679 -21.228 -10.570 445 HD3 ARG 83 HD1 ARG 83 1.699 -22.257 -9.561 446 HE ARG 83 HE ARG 83 1.080 -22.575 -12.349 447 HH11 ARG 83 HH11 ARG 83 2.060 -24.389 -9.495 448 HH12 ARG 83 HH12 ARG 83 2.860 -25.616 -10.424 449 HH21 ARG 83 HH21 ARG 83 2.140 -24.169 -13.521 450 HH22 ARG 83 HH22 ARG 83 2.907 -25.489 -12.692 451 H VAL 84 HN VAL 84 -0.658 -18.844 -8.466 452 HA VAL 84 HA VAL 84 -0.501 -18.032 -11.317 453 HB VAL 84 HB VAL 84 -0.827 -16.184 -8.898 454 HG11 VAL 84 HG11 VAL 84 0.633 -15.159 -10.595 455 HG12 VAL 84 HG12 VAL 84 -0.916 -14.320 -10.520 456 HG13 VAL 84 HG13 VAL 84 -0.589 -15.447 -11.837 457 HG21 VAL 84 HG21 VAL 84 -3.017 -15.555 -9.870 458 HG22 VAL 84 HG22 VAL 84 -2.959 -17.277 -9.482 459 HG23 VAL 84 HG23 VAL 84 -2.790 -16.745 -11.156 460 H VAL 85 HN VAL 85 1.557 -18.477 -11.827 461 HA VAL 85 HA VAL 85 3.804 -17.691 -10.108 462 HB VAL 85 HB VAL 85 3.935 -18.926 -12.903 463 HG11 VAL 85 HG11 VAL 85 6.049 -18.748 -10.716 464 HG12 VAL 85 HG12 VAL 85 6.023 -17.815 -12.215 465 HG13 VAL 85 HG13 VAL 85 6.249 -19.564 -12.270 466 HG21 VAL 85 HG21 VAL 85 4.315 -21.117 -11.809 467 HG22 VAL 85 HG22 VAL 85 2.713 -20.474 -11.449 468 HG23 VAL 85 HG23 VAL 85 3.992 -20.386 -10.236 469 H ALA 86 HN ALA 86 4.698 -15.710 -10.356 470 HA ALA 86 HA ALA 86 4.423 -14.227 -12.900 471 HB1 ALA 86 HB1 ALA 86 3.866 -12.176 -11.665 472 HB2 ALA 86 HB2 ALA 86 3.870 -13.064 -10.138 473 HB3 ALA 86 HB3 ALA 86 2.659 -13.431 -11.370 474 H ASP 87 HN ASP 87 6.368 -13.681 -13.590 475 HA ASP 87 HA ASP 87 8.780 -13.590 -12.127 476 HB2 ASP 87 HB2 ASP 87 7.961 -12.313 -14.777 477 HB3 ASP 87 HB1 ASP 87 9.616 -12.296 -14.164 478 H VAL 88 HN VAL 88 9.811 -11.911 -11.100 479 HA VAL 88 HA VAL 88 8.216 -9.453 -10.639 480 HB VAL 88 HB VAL 88 9.447 -9.399 -8.370 481 HG11 VAL 88 HG11 VAL 88 7.060 -9.974 -8.564 482 HG12 VAL 88 HG12 VAL 88 7.833 -10.932 -7.302 483 HG13 VAL 88 HG13 VAL 88 7.471 -11.666 -8.867 484 HG21 VAL 88 HG21 VAL 88 11.216 -11.066 -8.895 485 HG22 VAL 88 HG22 VAL 88 9.991 -12.331 -9.025 486 HG23 VAL 88 HG23 VAL 88 10.286 -11.540 -7.473 487 H TYR 89 HN TYR 89 9.229 -7.495 -10.572 488 HA TYR 89 HA TYR 89 11.851 -7.327 -11.931 489 HB2 TYR 89 HB2 TYR 89 9.214 -5.955 -12.640 490 HB3 TYR 89 HB1 TYR 89 10.767 -5.399 -13.250 491 HD1 TYR 89 HD1 TYR 89 8.337 -8.225 -13.357 492 HD2 TYR 89 HD2 TYR 89 11.844 -6.499 -15.100 493 HE1 TYR 89 HE1 TYR 89 8.146 -9.755 -15.282 494 HE2 TYR 89 HE2 TYR 89 11.652 -8.025 -16.993 495 HH TYR 89 HH TYR 89 10.680 -9.970 -17.697 496 H LYS 90 HN LYS 90 13.172 -5.794 -11.096 497 HA LYS 90 HA LYS 90 12.345 -4.142 -8.856 498 HB2 LYS 90 HB2 LYS 90 15.013 -4.422 -10.311 499 HB3 LYS 90 HB1 LYS 90 14.774 -3.414 -8.889 500 HG2 LYS 90 HG2 LYS 90 14.494 -6.430 -9.018 501 HG3 LYS 90 HG1 LYS 90 15.840 -5.538 -8.305 502 HD2 LYS 90 HD2 LYS 90 12.952 -5.550 -7.319 503 HD3 LYS 90 HD1 LYS 90 14.315 -6.386 -6.574 504 HE2 LYS 90 HE2 LYS 90 13.955 -3.378 -6.802 505 HE3 LYS 90 HE1 LYS 90 13.800 -4.348 -5.339 506 HZ1 LYS 90 HZ1 LYS 90 16.272 -3.885 -6.903 507 HZ2 LYS 90 HZ2 LYS 90 16.164 -4.934 -5.585 508 HZ3 LYS 90 HZ3 LYS 90 15.916 -3.278 -5.366 509 H ALA 91 HN ALA 91 13.284 -1.807 -8.901 510 HA ALA 91 HA ALA 91 12.136 -0.338 -11.133 511 HB1 ALA 91 HB1 ALA 91 11.779 0.468 -8.832 512 HB2 ALA 91 HB2 ALA 91 12.660 1.668 -9.781 513 HB3 ALA 91 HB3 ALA 91 13.519 0.663 -8.610 Start of MODEL 11 1 H HIS 21 HT1 HIS 21 -0.386 -0.447 -1.597 2 HA HIS 21 HA HIS 21 1.725 0.446 -2.194 3 HB2 HIS 21 HB2 HIS 21 2.430 0.871 0.214 4 HB3 HIS 21 HB1 HIS 21 2.782 -0.843 0.374 5 HD1 HIS 21 HD1 HIS 21 5.055 -1.629 -0.471 6 HD2 HIS 21 HD2 HIS 21 4.220 2.296 -1.559 7 HE1 HIS 21 HE1 HIS 21 7.210 -0.700 -1.351 8 HE2 HIS 21 HE2 HIS 21 6.725 1.727 -1.794 9 H ALA 22 HN ALA 22 1.505 -0.932 -3.891 10 HA ALA 22 HA ALA 22 2.296 -3.772 -3.576 11 HB1 ALA 22 HB1 ALA 22 -0.173 -3.663 -3.764 12 HB2 ALA 22 HB2 ALA 22 0.548 -4.451 -5.168 13 HB3 ALA 22 HB3 ALA 22 -0.018 -2.785 -5.290 14 H ALA 23 HN ALA 23 3.146 -4.749 -5.557 15 HA ALA 23 HA ALA 23 4.981 -3.058 -6.951 16 HB1 ALA 23 HB1 ALA 23 5.645 -5.110 -8.149 17 HB2 ALA 23 HB2 ALA 23 4.237 -5.958 -7.498 18 HB3 ALA 23 HB3 ALA 23 5.512 -5.401 -6.414 19 H THR 24 HN THR 24 4.979 -2.381 -9.097 20 HA THR 24 HA THR 24 2.462 -1.806 -10.302 21 HB THR 24 HB THR 24 5.272 -1.567 -11.482 22 HG1 THR 24 HG1 THR 24 4.795 -0.382 -9.480 23 HG21 THR 24 HG21 THR 24 2.696 -0.177 -12.331 24 HG22 THR 24 HG22 THR 24 3.569 -1.401 -13.261 25 HG23 THR 24 HG23 THR 24 4.302 0.178 -12.958 26 H GLU 25 HN GLU 25 1.271 -3.119 -11.625 27 HA GLU 25 HA GLU 25 2.212 -5.622 -12.615 28 HB2 GLU 25 HB2 GLU 25 -0.186 -5.183 -12.182 29 HB3 GLU 25 HB1 GLU 25 -0.217 -4.010 -13.495 30 HG2 GLU 25 HG2 GLU 25 0.328 -5.824 -15.101 31 HG3 GLU 25 HG1 GLU 25 0.309 -6.989 -13.780 32 H LEU 26 HN LEU 26 3.214 -6.087 -14.465 33 HA LEU 26 HA LEU 26 4.111 -3.868 -16.181 34 HB2 LEU 26 HB2 LEU 26 5.735 -5.346 -14.800 35 HB3 LEU 26 HB1 LEU 26 5.347 -6.637 -15.924 36 HG LEU 26 HG LEU 26 6.240 -5.223 -17.800 37 HD11 LEU 26 HD11 LEU 26 7.106 -3.334 -15.579 38 HD12 LEU 26 HD12 LEU 26 5.885 -2.999 -16.813 39 HD13 LEU 26 HD13 LEU 26 7.569 -3.219 -17.278 40 HD21 LEU 26 HD21 LEU 26 7.659 -6.921 -16.694 41 HD22 LEU 26 HD22 LEU 26 8.220 -5.704 -15.545 42 HD23 LEU 26 HD23 LEU 26 8.602 -5.546 -17.261 43 H THR 27 HN THR 27 3.817 -3.977 -18.407 44 HA THR 27 HA THR 27 1.800 -5.775 -19.425 45 HB THR 27 HB THR 27 2.191 -4.426 -21.586 46 HG1 THR 27 HG1 THR 27 3.329 -2.322 -20.928 47 HG21 THR 27 HG21 THR 27 0.356 -3.867 -20.045 48 HG22 THR 27 HG22 THR 27 1.052 -2.398 -20.728 49 HG23 THR 27 HG23 THR 27 1.444 -2.873 -19.074 50 HA PRO 28 HA PRO 28 4.105 -9.104 -21.257 51 HB2 PRO 28 HB2 PRO 28 2.816 -8.392 -23.898 52 HB3 PRO 28 HB1 PRO 28 2.909 -9.960 -23.078 53 HG2 PRO 28 HG2 PRO 28 0.650 -8.533 -23.036 54 HG3 PRO 28 HG1 PRO 28 1.179 -9.431 -21.597 55 HD2 PRO 28 HD2 PRO 28 1.296 -6.477 -22.136 56 HD3 PRO 28 HD1 PRO 28 1.023 -7.338 -20.609 57 H GLU 29 HN GLU 29 4.040 -6.187 -23.275 58 HA GLU 29 HA GLU 29 6.238 -6.695 -24.946 59 HB2 GLU 29 HB2 GLU 29 4.551 -4.909 -25.365 60 HB3 GLU 29 HB1 GLU 29 5.159 -4.006 -23.985 61 HG2 GLU 29 HG2 GLU 29 6.000 -3.033 -26.041 62 HG3 GLU 29 HG1 GLU 29 7.335 -3.720 -25.117 63 H GLN 30 HN GLN 30 6.027 -4.822 -21.915 64 HA GLN 30 HA GLN 30 8.800 -4.156 -21.802 65 HB2 GLN 30 HB2 GLN 30 6.765 -4.096 -19.535 66 HB3 GLN 30 HB1 GLN 30 8.320 -3.267 -19.569 67 HG2 GLN 30 HG2 GLN 30 5.834 -2.649 -21.176 68 HG3 GLN 30 HG1 GLN 30 6.647 -1.631 -19.991 69 HE21 GLN 30 HE21 GLN 30 8.685 -0.691 -20.579 70 HE22 GLN 30 HE22 GLN 30 9.077 -0.417 -22.237 71 H ALA 31 HN ALA 31 6.806 -6.707 -20.458 72 HA ALA 31 HA ALA 31 8.584 -7.791 -18.555 73 HB1 ALA 31 HB1 ALA 31 6.163 -8.234 -18.534 74 HB2 ALA 31 HB2 ALA 31 7.083 -9.738 -18.552 75 HB3 ALA 31 HB3 ALA 31 6.308 -9.160 -20.030 76 H ALA 32 HN ALA 32 8.077 -8.452 -21.995 77 HA ALA 32 HA ALA 32 9.857 -10.693 -22.161 78 HB1 ALA 32 HB1 ALA 32 8.009 -10.364 -23.755 79 HB2 ALA 32 HB2 ALA 32 9.560 -10.491 -24.587 80 HB3 ALA 32 HB3 ALA 32 8.796 -8.912 -24.374 81 H ALA 33 HN ALA 33 10.240 -7.213 -22.452 82 HA ALA 33 HA ALA 33 12.858 -7.264 -23.684 83 HB1 ALA 33 HB1 ALA 33 11.368 -4.994 -22.326 84 HB2 ALA 33 HB2 ALA 33 11.318 -5.390 -24.044 85 HB3 ALA 33 HB3 ALA 33 12.824 -4.829 -23.317 86 H LEU 34 HN LEU 34 11.574 -6.953 -20.426 87 HA LEU 34 HA LEU 34 14.192 -6.496 -19.207 88 HB2 LEU 34 HB2 LEU 34 11.439 -6.773 -17.940 89 HB3 LEU 34 HB1 LEU 34 12.905 -6.280 -17.101 90 HG LEU 34 HG LEU 34 11.503 -4.700 -19.301 91 HD11 LEU 34 HD11 LEU 34 10.213 -4.708 -17.240 92 HD12 LEU 34 HD12 LEU 34 10.898 -3.114 -17.531 93 HD13 LEU 34 HD13 LEU 34 11.620 -4.178 -16.319 94 HD21 LEU 34 HD21 LEU 34 13.918 -4.301 -19.361 95 HD22 LEU 34 HD22 LEU 34 13.923 -3.926 -17.637 96 HD23 LEU 34 HD23 LEU 34 13.068 -2.876 -18.770 97 H LYS 35 HN LYS 35 14.826 -7.876 -17.337 98 HA LYS 35 HA LYS 35 14.067 -10.723 -17.660 99 HB2 LYS 35 HB2 LYS 35 16.355 -10.287 -18.505 100 HB3 LYS 35 HB1 LYS 35 16.802 -9.555 -16.966 101 HG2 LYS 35 HG2 LYS 35 16.529 -11.712 -15.828 102 HG3 LYS 35 HG1 LYS 35 15.977 -12.458 -17.331 103 HD2 LYS 35 HD2 LYS 35 18.189 -12.052 -18.353 104 HD3 LYS 35 HD1 LYS 35 18.745 -11.274 -16.867 105 HE2 LYS 35 HE2 LYS 35 18.470 -13.387 -15.648 106 HE3 LYS 35 HE1 LYS 35 17.854 -14.168 -17.105 107 HZ1 LYS 35 HZ1 LYS 35 19.984 -13.828 -18.151 108 HZ2 LYS 35 HZ2 LYS 35 20.177 -14.680 -16.706 109 HZ3 LYS 35 HZ3 LYS 35 20.578 -13.038 -16.780 110 HA PRO 36 HA PRO 36 12.853 -10.068 -13.320 111 HB2 PRO 36 HB2 PRO 36 11.898 -12.542 -12.765 112 HB3 PRO 36 HB1 PRO 36 11.036 -11.451 -13.863 113 HG2 PRO 36 HG2 PRO 36 12.937 -13.705 -14.542 114 HG3 PRO 36 HG1 PRO 36 11.322 -13.375 -15.214 115 HD2 PRO 36 HD2 PRO 36 13.592 -12.604 -16.501 116 HD3 PRO 36 HD1 PRO 36 12.098 -11.641 -16.576 117 H TYR 37 HN TYR 37 13.655 -10.587 -11.250 118 HA TYR 37 HA TYR 37 16.266 -11.931 -11.196 119 HB2 TYR 37 HB2 TYR 37 16.613 -10.849 -9.030 120 HB3 TYR 37 HB1 TYR 37 16.137 -9.661 -10.229 121 HD1 TYR 37 HD1 TYR 37 13.923 -8.514 -10.048 122 HD2 TYR 37 HD2 TYR 37 15.171 -11.342 -7.088 123 HE1 TYR 37 HE1 TYR 37 12.191 -7.675 -8.505 124 HE2 TYR 37 HE2 TYR 37 13.438 -10.507 -5.564 125 HH TYR 37 HH TYR 37 12.148 -8.456 -5.201 126 H ASP 38 HN ASP 38 13.002 -12.400 -10.179 127 HA ASP 38 HA ASP 38 13.540 -15.065 -9.168 128 HB2 ASP 38 HB2 ASP 38 13.842 -13.535 -7.151 129 HB3 ASP 38 HB1 ASP 38 12.172 -13.019 -7.345 130 H ARG 39 HN ARG 39 11.374 -16.168 -8.666 131 HA ARG 39 HA ARG 39 9.068 -15.020 -10.113 132 HB2 ARG 39 HB2 ARG 39 9.880 -17.960 -10.315 133 HB3 ARG 39 HB1 ARG 39 8.581 -17.147 -11.190 134 HG2 ARG 39 HG2 ARG 39 10.330 -15.783 -12.366 135 HG3 ARG 39 HG1 ARG 39 11.567 -16.753 -11.568 136 HD2 ARG 39 HD2 ARG 39 11.284 -17.638 -13.769 137 HD3 ARG 39 HD1 ARG 39 10.532 -18.794 -12.662 138 HE ARG 39 HE ARG 39 9.072 -16.823 -14.336 139 HH11 ARG 39 HH11 ARG 39 9.085 -19.939 -12.679 140 HH12 ARG 39 HH12 ARG 39 7.581 -20.435 -13.390 141 HH21 ARG 39 HH21 ARG 39 7.117 -17.507 -15.222 142 HH22 ARG 39 HH22 ARG 39 6.484 -19.074 -14.826 143 H ILE 40 HN ILE 40 7.309 -15.026 -8.831 144 HA ILE 40 HA ILE 40 7.224 -16.784 -6.445 145 HB ILE 40 HB ILE 40 5.549 -15.237 -5.508 146 HG12 ILE 40 HG12 ILE 40 5.924 -13.579 -8.048 147 HG13 ILE 40 HG11 ILE 40 4.465 -14.454 -7.600 148 HG21 ILE 40 HG21 ILE 40 6.983 -13.324 -5.042 149 HG22 ILE 40 HG22 ILE 40 7.991 -13.690 -6.453 150 HG23 ILE 40 HG23 ILE 40 7.951 -14.801 -5.082 151 HD11 ILE 40 HD11 ILE 40 4.209 -12.096 -7.211 152 HD12 ILE 40 HD12 ILE 40 5.632 -12.067 -6.173 153 HD13 ILE 40 HD13 ILE 40 4.189 -12.953 -5.671 154 H VAL 41 HN VAL 41 5.191 -17.756 -5.880 155 HA VAL 41 HA VAL 41 3.059 -17.879 -7.869 156 HB VAL 41 HB VAL 41 4.475 -19.786 -8.522 157 HG11 VAL 41 HG11 VAL 41 4.941 -21.690 -7.021 158 HG12 VAL 41 HG12 VAL 41 4.187 -20.825 -5.680 159 HG13 VAL 41 HG13 VAL 41 5.664 -20.198 -6.415 160 HG21 VAL 41 HG21 VAL 41 2.807 -21.616 -8.396 161 HG22 VAL 41 HG22 VAL 41 2.035 -20.070 -8.752 162 HG23 VAL 41 HG23 VAL 41 1.939 -20.746 -7.126 163 H ILE 42 HN ILE 42 1.086 -18.087 -6.964 164 HA ILE 42 HA ILE 42 0.804 -18.791 -4.095 165 HB ILE 42 HB ILE 42 -1.085 -17.189 -3.909 166 HG12 ILE 42 HG12 ILE 42 -0.302 -16.182 -6.690 167 HG13 ILE 42 HG11 ILE 42 -1.702 -17.196 -6.366 168 HG21 ILE 42 HG21 ILE 42 0.207 -15.076 -3.873 169 HG22 ILE 42 HG22 ILE 42 1.477 -15.833 -4.836 170 HG23 ILE 42 HG23 ILE 42 1.139 -16.418 -3.206 171 HD11 ILE 42 HD11 ILE 42 -1.259 -14.408 -5.319 172 HD12 ILE 42 HD12 ILE 42 -2.660 -15.427 -4.979 173 HD13 ILE 42 HD13 ILE 42 -2.338 -14.890 -6.626 174 H THR 43 HN THR 43 -1.475 -19.534 -3.623 175 HA THR 43 HA THR 43 -2.929 -20.693 -5.925 176 HB THR 43 HB THR 43 -3.526 -22.668 -4.377 177 HG1 THR 43 HG1 THR 43 -2.481 -21.418 -2.510 178 HG21 THR 43 HG21 THR 43 -1.471 -23.944 -4.854 179 HG22 THR 43 HG22 THR 43 -0.617 -22.441 -5.214 180 HG23 THR 43 HG23 THR 43 -1.948 -22.967 -6.245 181 H GLY 44 HN GLY 44 -5.027 -20.192 -5.904 182 HA2 GLY 44 HA2 GLY 44 -6.380 -19.379 -3.397 183 HA3 GLY 44 HA1 GLY 44 -6.440 -18.347 -4.822 184 H ARG 45 HN ARG 45 -7.521 -21.326 -3.378 185 HA ARG 45 HA ARG 45 -8.812 -22.546 -5.533 186 HB2 ARG 45 HB2 ARG 45 -8.388 -23.761 -3.451 187 HB3 ARG 45 HB1 ARG 45 -9.467 -22.691 -2.562 188 HG2 ARG 45 HG2 ARG 45 -11.404 -23.551 -3.820 189 HG3 ARG 45 HG1 ARG 45 -10.336 -24.575 -4.786 190 HD2 ARG 45 HD2 ARG 45 -11.473 -25.863 -3.026 191 HD3 ARG 45 HD1 ARG 45 -9.723 -25.861 -2.786 192 HE ARG 45 HE ARG 45 -11.236 -23.843 -1.318 193 HH11 ARG 45 HH11 ARG 45 -9.744 -27.025 -1.210 194 HH12 ARG 45 HH12 ARG 45 -9.693 -27.072 0.521 195 HH21 ARG 45 HH21 ARG 45 -11.163 -23.922 0.953 196 HH22 ARG 45 HH22 ARG 45 -10.500 -25.318 1.743 197 H PHE 46 HN PHE 46 -10.288 -21.621 -6.789 198 HA PHE 46 HA PHE 46 -12.280 -20.882 -7.543 199 HB2 PHE 46 HB2 PHE 46 -13.160 -22.536 -5.882 200 HB3 PHE 46 HB1 PHE 46 -13.238 -21.264 -4.673 201 HD1 PHE 46 HD2 PHE 46 -14.562 -22.187 -8.068 202 HD2 PHE 46 HD1 PHE 46 -15.254 -20.052 -4.422 203 HE1 PHE 46 HE2 PHE 46 -16.853 -21.661 -8.799 204 HE2 PHE 46 HE1 PHE 46 -17.536 -19.534 -5.162 205 HZ PHE 46 HZ PHE 46 -18.341 -20.339 -7.346 206 H ASN 47 HN ASN 47 -10.262 -19.098 -5.932 207 HA ASN 47 HA ASN 47 -11.811 -16.748 -5.273 208 HB2 ASN 47 HB2 ASN 47 -8.824 -17.314 -5.411 209 HB3 ASN 47 HB1 ASN 47 -9.448 -15.689 -5.119 210 HD21 ASN 47 HD21 ASN 47 -9.306 -18.962 -3.829 211 HD22 ASN 47 HD22 ASN 47 -9.625 -18.538 -2.192 212 H ALA 48 HN ALA 48 -11.544 -14.689 -6.357 213 HA ALA 48 HA ALA 48 -12.020 -14.915 -9.166 214 HB1 ALA 48 HB1 ALA 48 -11.695 -12.415 -7.464 215 HB2 ALA 48 HB2 ALA 48 -13.208 -13.273 -7.752 216 HB3 ALA 48 HB3 ALA 48 -12.378 -12.481 -9.093 217 H ILE 49 HN ILE 49 -10.851 -13.885 -10.871 218 HA ILE 49 HA ILE 49 -8.071 -14.303 -10.833 219 HB ILE 49 HB ILE 49 -9.292 -14.512 -12.925 220 HG12 ILE 49 HG12 ILE 49 -7.822 -13.230 -14.479 221 HG13 ILE 49 HG11 ILE 49 -7.300 -12.202 -13.151 222 HG21 ILE 49 HG21 ILE 49 -11.030 -12.823 -12.602 223 HG22 ILE 49 HG22 ILE 49 -10.237 -12.604 -14.163 224 HG23 ILE 49 HG23 ILE 49 -9.848 -11.529 -12.818 225 HD11 ILE 49 HD11 ILE 49 -6.781 -15.166 -13.397 226 HD12 ILE 49 HD12 ILE 49 -6.220 -14.119 -12.089 227 HD13 ILE 49 HD13 ILE 49 -5.632 -13.870 -13.732 228 H GLY 50 HN GLY 50 -9.965 -11.286 -10.611 229 HA2 GLY 50 HA2 GLY 50 -7.776 -9.473 -10.533 230 HA3 GLY 50 HA1 GLY 50 -9.406 -9.149 -9.969 231 H ASP 51 HN ASP 51 -9.494 -11.240 -8.036 232 HA ASP 51 HA ASP 51 -8.358 -10.037 -5.721 233 HB2 ASP 51 HB2 ASP 51 -10.407 -11.337 -5.570 234 HB3 ASP 51 HB1 ASP 51 -9.616 -12.764 -6.223 235 H ALA 52 HN ALA 52 -7.476 -12.850 -7.678 236 HA ALA 52 HA ALA 52 -5.277 -13.728 -6.091 237 HB1 ALA 52 HB1 ALA 52 -6.508 -15.249 -7.571 238 HB2 ALA 52 HB2 ALA 52 -4.790 -15.227 -7.969 239 HB3 ALA 52 HB3 ALA 52 -5.941 -14.351 -8.982 240 H VAL 53 HN VAL 53 -5.573 -11.642 -8.956 241 HA VAL 53 HA VAL 53 -2.790 -11.234 -9.375 242 HB VAL 53 HB VAL 53 -5.189 -9.578 -10.267 243 HG11 VAL 53 HG11 VAL 53 -3.662 -8.394 -11.832 244 HG12 VAL 53 HG12 VAL 53 -2.281 -9.204 -11.087 245 HG13 VAL 53 HG13 VAL 53 -3.250 -8.068 -10.147 246 HG21 VAL 53 HG21 VAL 53 -3.372 -11.463 -11.825 247 HG22 VAL 53 HG22 VAL 53 -4.728 -10.550 -12.497 248 HG23 VAL 53 HG23 VAL 53 -5.021 -11.818 -11.305 249 H SER 54 HN SER 54 -5.190 -9.655 -7.324 250 HA SER 54 HA SER 54 -3.583 -7.448 -6.491 251 HB2 SER 54 HB2 SER 54 -6.083 -7.536 -6.249 252 HB3 SER 54 HB1 SER 54 -5.893 -8.748 -4.981 253 HG SER 54 HG SER 54 -5.086 -7.249 -3.646 254 H ALA 55 HN ALA 55 -4.093 -10.724 -5.264 255 HA ALA 55 HA ALA 55 -2.600 -10.487 -2.850 256 HB1 ALA 55 HB1 ALA 55 -3.319 -12.958 -4.462 257 HB2 ALA 55 HB2 ALA 55 -4.300 -12.224 -3.193 258 HB3 ALA 55 HB3 ALA 55 -2.742 -12.948 -2.791 259 H VAL 56 HN VAL 56 -1.773 -11.513 -6.147 260 HA VAL 56 HA VAL 56 0.908 -12.345 -5.467 261 HB VAL 56 HB VAL 56 -0.589 -13.297 -7.367 262 HG11 VAL 56 HG11 VAL 56 -0.351 -12.347 -9.593 263 HG12 VAL 56 HG12 VAL 56 0.559 -10.991 -8.927 264 HG13 VAL 56 HG13 VAL 56 -1.132 -11.210 -8.492 265 HG21 VAL 56 HG21 VAL 56 2.324 -12.721 -7.985 266 HG22 VAL 56 HG22 VAL 56 1.343 -13.990 -8.724 267 HG23 VAL 56 HG23 VAL 56 1.717 -14.056 -7.001 268 H SER 57 HN SER 57 -0.618 -9.411 -6.615 269 HA SER 57 HA SER 57 1.697 -7.946 -7.419 270 HB2 SER 57 HB2 SER 57 -0.609 -7.268 -8.049 271 HB3 SER 57 HB1 SER 57 -0.983 -6.930 -6.360 272 HG SER 57 HG SER 57 -0.257 -5.141 -7.870 273 H ARG 58 HN ARG 58 -0.149 -8.205 -4.424 274 HA ARG 58 HA ARG 58 1.371 -6.483 -2.795 275 HB2 ARG 58 HB2 ARG 58 -0.890 -7.235 -2.160 276 HB3 ARG 58 HB1 ARG 58 -0.335 -8.898 -2.055 277 HG2 ARG 58 HG2 ARG 58 -0.561 -7.991 0.180 278 HG3 ARG 58 HG1 ARG 58 1.148 -8.277 -0.159 279 HD2 ARG 58 HD2 ARG 58 1.396 -5.843 -0.708 280 HD3 ARG 58 HD1 ARG 58 -0.291 -5.598 -0.228 281 HE ARG 58 HE ARG 58 1.961 -6.334 1.529 282 HH11 ARG 58 HH11 ARG 58 -1.391 -5.317 1.254 283 HH12 ARG 58 HH12 ARG 58 -1.523 -4.909 2.932 284 HH21 ARG 58 HH21 ARG 58 1.772 -5.815 3.716 285 HH22 ARG 58 HH22 ARG 58 0.271 -5.200 4.332 286 H ARG 59 HN ARG 59 1.538 -9.991 -3.383 287 HA ARG 59 HA ARG 59 3.577 -10.641 -1.558 288 HB2 ARG 59 HB2 ARG 59 1.964 -12.218 -2.889 289 HB3 ARG 59 HB1 ARG 59 3.147 -12.132 -4.181 290 HG2 ARG 59 HG2 ARG 59 3.742 -13.152 -1.377 291 HG3 ARG 59 HG1 ARG 59 3.315 -14.186 -2.736 292 HD2 ARG 59 HD2 ARG 59 5.336 -13.686 -3.872 293 HD3 ARG 59 HD1 ARG 59 5.703 -12.348 -2.800 294 HE ARG 59 HE ARG 59 6.426 -13.806 -1.159 295 HH11 ARG 59 HH11 ARG 59 5.186 -15.692 -3.841 296 HH12 ARG 59 HH12 ARG 59 6.131 -17.087 -3.456 297 HH21 ARG 59 HH21 ARG 59 7.665 -15.620 -0.669 298 HH22 ARG 59 HH22 ARG 59 7.529 -17.056 -1.630 299 H ALA 60 HN ALA 60 3.682 -9.729 -4.992 300 HA ALA 60 HA ALA 60 6.427 -9.961 -5.508 301 HB1 ALA 60 HB1 ALA 60 4.749 -9.629 -7.277 302 HB2 ALA 60 HB2 ALA 60 6.016 -8.407 -7.392 303 HB3 ALA 60 HB3 ALA 60 4.442 -7.989 -6.706 304 H ASP 61 HN ASP 61 4.531 -7.263 -4.233 305 HA ASP 61 HA ASP 61 6.585 -5.338 -4.005 306 HB2 ASP 61 HB2 ASP 61 4.144 -4.834 -3.947 307 HB3 ASP 61 HB1 ASP 61 4.033 -5.605 -2.370 308 H GLU 62 HN GLU 62 5.359 -7.805 -1.769 309 HA GLU 62 HA GLU 62 6.842 -7.132 0.534 310 HB2 GLU 62 HB2 GLU 62 5.807 -9.847 -0.385 311 HB3 GLU 62 HB1 GLU 62 6.457 -9.529 1.221 312 HG2 GLU 62 HG2 GLU 62 3.958 -8.292 0.029 313 HG3 GLU 62 HG1 GLU 62 4.008 -9.592 1.212 314 H GLU 63 HN GLU 63 7.651 -9.045 -2.331 315 HA GLU 63 HA GLU 63 10.185 -10.001 -1.316 316 HB2 GLU 63 HB2 GLU 63 9.216 -10.002 -4.202 317 HB3 GLU 63 HB1 GLU 63 10.527 -10.970 -3.526 318 HG2 GLU 63 HG2 GLU 63 7.552 -11.254 -3.053 319 HG3 GLU 63 HG1 GLU 63 8.637 -12.396 -3.826 320 H GLY 64 HN GLY 64 9.119 -7.057 -2.634 321 HA2 GLY 64 HA2 GLY 64 10.448 -5.103 -2.542 322 HA3 GLY 64 HA1 GLY 64 11.897 -6.069 -2.767 323 H ALA 65 HN ALA 65 9.263 -6.770 -4.858 324 HA ALA 65 HA ALA 65 10.769 -6.018 -7.190 325 HB1 ALA 65 HB1 ALA 65 9.435 -8.082 -7.133 326 HB2 ALA 65 HB2 ALA 65 8.931 -7.022 -8.450 327 HB3 ALA 65 HB3 ALA 65 7.955 -7.129 -6.982 328 H ALA 66 HN ALA 66 10.540 -4.276 -8.439 329 HA ALA 66 HA ALA 66 8.750 -2.103 -7.802 330 HB1 ALA 66 HB1 ALA 66 11.024 -1.665 -8.610 331 HB2 ALA 66 HB2 ALA 66 9.835 -0.973 -9.713 332 HB3 ALA 66 HB3 ALA 66 10.663 -2.479 -10.135 333 H SER 67 HN SER 67 8.908 -4.734 -10.080 334 HA SER 67 HA SER 67 6.178 -4.224 -10.999 335 HB2 SER 67 HB2 SER 67 8.521 -4.647 -12.912 336 HB3 SER 67 HB1 SER 67 6.821 -4.563 -13.380 337 HG SER 67 HG SER 67 7.094 -2.387 -12.109 338 H PHE 68 HN PHE 68 5.404 -6.143 -12.327 339 HA PHE 68 HA PHE 68 6.807 -8.653 -12.166 340 HB2 PHE 68 HB2 PHE 68 5.345 -9.865 -10.695 341 HB3 PHE 68 HB1 PHE 68 5.723 -8.383 -9.829 342 HD1 PHE 68 HD2 PHE 68 3.966 -6.436 -9.998 343 HD2 PHE 68 HD1 PHE 68 3.096 -10.496 -11.011 344 HE1 PHE 68 HE2 PHE 68 1.551 -5.985 -9.797 345 HE2 PHE 68 HE1 PHE 68 0.701 -10.033 -10.812 346 HZ PHE 68 HZ PHE 68 -0.081 -7.801 -10.199 347 H TYR 69 HN TYR 69 5.634 -10.334 -13.373 348 HA TYR 69 HA TYR 69 3.324 -9.368 -14.950 349 HB2 TYR 69 HB2 TYR 69 5.347 -9.254 -16.395 350 HB3 TYR 69 HB1 TYR 69 5.676 -10.957 -16.085 351 HD1 TYR 69 HD1 TYR 69 2.989 -8.713 -17.425 352 HD2 TYR 69 HD2 TYR 69 4.775 -12.581 -17.613 353 HE1 TYR 69 HE1 TYR 69 1.506 -9.299 -19.286 354 HE2 TYR 69 HE2 TYR 69 3.288 -13.172 -19.486 355 HH TYR 69 HH TYR 69 0.979 -12.414 -20.296 356 H VAL 70 HN VAL 70 1.642 -10.631 -14.533 357 HA VAL 70 HA VAL 70 1.791 -13.295 -13.508 358 HB VAL 70 HB VAL 70 -0.588 -11.892 -14.841 359 HG11 VAL 70 HG11 VAL 70 -0.514 -14.385 -13.090 360 HG12 VAL 70 HG12 VAL 70 -0.881 -14.328 -14.814 361 HG13 VAL 70 HG13 VAL 70 -1.979 -13.578 -13.659 362 HG21 VAL 70 HG21 VAL 70 0.196 -10.650 -12.858 363 HG22 VAL 70 HG22 VAL 70 0.104 -12.115 -11.878 364 HG23 VAL 70 HG23 VAL 70 -1.369 -11.402 -12.543 365 H VAL 71 HN VAL 71 2.907 -14.655 -14.783 366 HA VAL 71 HA VAL 71 2.691 -14.585 -17.696 367 HB VAL 71 HB VAL 71 4.922 -14.620 -16.695 368 HG11 VAL 71 HG11 VAL 71 5.822 -16.570 -15.488 369 HG12 VAL 71 HG12 VAL 71 4.235 -17.343 -15.531 370 HG13 VAL 71 HG13 VAL 71 4.463 -15.848 -14.623 371 HG21 VAL 71 HG21 VAL 71 5.937 -16.431 -18.028 372 HG22 VAL 71 HG22 VAL 71 4.652 -15.629 -18.931 373 HG23 VAL 71 HG23 VAL 71 4.362 -17.210 -18.201 374 H ASP 72 HN ASP 72 1.837 -16.695 -15.012 375 HA ASP 72 HA ASP 72 0.421 -18.509 -16.872 376 HB2 ASP 72 HB2 ASP 72 2.656 -19.496 -16.041 377 HB3 ASP 72 HB1 ASP 72 1.963 -19.511 -14.428 378 H THR 73 HN THR 73 -1.641 -18.665 -16.332 379 HA THR 73 HA THR 73 -2.441 -18.946 -13.509 380 HB THR 73 HB THR 73 -4.723 -17.880 -14.222 381 HG1 THR 73 HG1 THR 73 -2.996 -16.846 -16.247 382 HG21 THR 73 HG21 THR 73 -3.971 -15.590 -13.682 383 HG22 THR 73 HG22 THR 73 -2.295 -16.085 -13.929 384 HG23 THR 73 HG23 THR 73 -3.235 -16.781 -12.608 385 H SER 74 HN SER 74 -2.757 -21.040 -13.504 386 HA SER 74 HA SER 74 -4.822 -22.294 -15.142 387 HB2 SER 74 HB2 SER 74 -1.958 -23.372 -14.993 388 HB3 SER 74 HB1 SER 74 -3.333 -24.267 -15.652 389 HG SER 74 HG SER 74 -3.260 -21.883 -16.835 390 H GLU 75 HN GLU 75 -5.263 -24.580 -14.199 391 HA GLU 75 HA GLU 75 -5.573 -24.334 -11.388 392 HB2 GLU 75 HB2 GLU 75 -6.558 -26.592 -11.428 393 HB3 GLU 75 HB1 GLU 75 -7.264 -25.534 -12.644 394 HG2 GLU 75 HG2 GLU 75 -5.948 -26.637 -14.395 395 HG3 GLU 75 HG1 GLU 75 -5.170 -27.666 -13.192 396 H PHE 76 HN PHE 76 -4.705 -25.631 -9.724 397 HA PHE 76 HA PHE 76 -1.848 -26.137 -9.984 398 HB2 PHE 76 HB2 PHE 76 -2.934 -24.812 -8.099 399 HB3 PHE 76 HB1 PHE 76 -3.686 -26.300 -7.553 400 HD1 PHE 76 HD2 PHE 76 -0.236 -25.021 -8.379 401 HD2 PHE 76 HD1 PHE 76 -2.640 -27.379 -5.734 402 HE1 PHE 76 HE2 PHE 76 1.728 -25.435 -6.948 403 HE2 PHE 76 HE1 PHE 76 -0.666 -27.783 -4.317 404 HZ PHE 76 HZ PHE 76 1.516 -26.813 -4.921 405 H GLY 77 HN GLY 77 -3.028 -27.965 -11.530 406 HA2 GLY 77 HA2 GLY 77 -3.235 -30.178 -12.020 407 HA3 GLY 77 HA1 GLY 77 -2.569 -30.563 -10.442 408 H ASN 78 HN ASN 78 -5.213 -28.533 -10.031 409 HA ASN 78 HA ASN 78 -7.146 -30.718 -9.648 410 HB2 ASN 78 HB2 ASN 78 -5.855 -30.438 -7.511 411 HB3 ASN 78 HB1 ASN 78 -6.329 -28.740 -7.462 412 HD21 ASN 78 HD21 ASN 78 -7.422 -32.047 -7.069 413 HD22 ASN 78 HD22 ASN 78 -8.923 -31.667 -6.305 414 H SER 79 HN SER 79 -8.996 -30.091 -10.534 415 HA SER 79 HA SER 79 -9.543 -27.503 -11.534 416 HB2 SER 79 HB2 SER 79 -11.424 -29.871 -11.106 417 HB3 SER 79 HB1 SER 79 -11.752 -28.473 -12.136 418 HG SER 79 HG SER 79 -9.381 -29.449 -12.844 419 H GLY 80 HN GLY 80 -10.093 -25.796 -10.361 420 HA2 GLY 80 HA2 GLY 80 -11.832 -24.723 -8.978 421 HA3 GLY 80 HA1 GLY 80 -11.659 -26.063 -7.850 422 H ASN 81 HN ASN 81 -9.079 -26.424 -7.458 423 HA ASN 81 HA ASN 81 -8.123 -23.955 -6.235 424 HB2 ASN 81 HB2 ASN 81 -7.975 -26.048 -4.917 425 HB3 ASN 81 HB1 ASN 81 -6.914 -26.748 -6.133 426 HD21 ASN 81 HD21 ASN 81 -4.750 -26.249 -6.071 427 HD22 ASN 81 HD22 ASN 81 -4.023 -25.213 -4.895 428 H TRP 82 HN TRP 82 -7.389 -22.637 -7.797 429 HA TRP 82 HA TRP 82 -5.452 -23.678 -9.767 430 HB2 TRP 82 HB2 TRP 82 -6.115 -21.834 -11.231 431 HB3 TRP 82 HB1 TRP 82 -7.528 -22.764 -10.766 432 HD1 TRP 82 HD1 TRP 82 -9.007 -21.537 -8.619 433 HE1 TRP 82 HE1 TRP 82 -9.569 -19.030 -8.365 434 HE3 TRP 82 HE3 TRP 82 -5.453 -19.584 -11.720 435 HZ2 TRP 82 HZ2 TRP 82 -8.639 -16.570 -9.348 436 HZ3 TRP 82 HZ3 TRP 82 -5.362 -17.145 -12.018 437 HH2 TRP 82 HH2 TRP 82 -6.924 -15.674 -10.857 438 H ARG 83 HN ARG 83 -3.639 -22.436 -10.278 439 HA ARG 83 HA ARG 83 -2.589 -20.833 -8.037 440 HB2 ARG 83 HB2 ARG 83 -0.369 -21.726 -8.614 441 HB3 ARG 83 HB1 ARG 83 -1.503 -23.017 -8.277 442 HG2 ARG 83 HG2 ARG 83 -0.475 -23.916 -10.127 443 HG3 ARG 83 HG1 ARG 83 -1.784 -23.054 -10.928 444 HD2 ARG 83 HD2 ARG 83 -0.185 -21.125 -11.263 445 HD3 ARG 83 HD1 ARG 83 1.102 -22.157 -10.642 446 HE ARG 83 HE ARG 83 -0.255 -22.341 -13.229 447 HH11 ARG 83 HH11 ARG 83 2.048 -23.867 -11.047 448 HH12 ARG 83 HH12 ARG 83 2.834 -24.735 -12.319 449 HH21 ARG 83 HH21 ARG 83 0.821 -23.426 -14.866 450 HH22 ARG 83 HH22 ARG 83 2.129 -24.504 -14.482 451 H VAL 84 HN VAL 84 -1.104 -19.143 -8.549 452 HA VAL 84 HA VAL 84 -1.207 -18.000 -11.286 453 HB VAL 84 HB VAL 84 -1.275 -16.411 -8.666 454 HG11 VAL 84 HG11 VAL 84 -1.570 -14.410 -10.099 455 HG12 VAL 84 HG12 VAL 84 -1.374 -15.414 -11.538 456 HG13 VAL 84 HG13 VAL 84 -0.031 -15.215 -10.412 457 HG21 VAL 84 HG21 VAL 84 -3.450 -17.468 -9.090 458 HG22 VAL 84 HG22 VAL 84 -3.487 -16.782 -10.716 459 HG23 VAL 84 HG23 VAL 84 -3.551 -15.720 -9.308 460 H VAL 85 HN VAL 85 0.867 -18.418 -11.989 461 HA VAL 85 HA VAL 85 3.159 -17.798 -10.257 462 HB VAL 85 HB VAL 85 3.258 -18.743 -13.165 463 HG11 VAL 85 HG11 VAL 85 5.401 -18.678 -10.996 464 HG12 VAL 85 HG12 VAL 85 5.314 -17.613 -12.401 465 HG13 VAL 85 HG13 VAL 85 5.610 -19.338 -12.621 466 HG21 VAL 85 HG21 VAL 85 3.465 -20.422 -10.637 467 HG22 VAL 85 HG22 VAL 85 3.753 -21.002 -12.279 468 HG23 VAL 85 HG23 VAL 85 2.144 -20.461 -11.807 469 H ALA 86 HN ALA 86 4.204 -15.913 -10.385 470 HA ALA 86 HA ALA 86 3.979 -14.169 -12.730 471 HB1 ALA 86 HB1 ALA 86 2.194 -13.400 -11.192 472 HB2 ALA 86 HB2 ALA 86 3.482 -12.204 -11.330 473 HB3 ALA 86 HB3 ALA 86 3.382 -13.229 -9.897 474 H ASP 87 HN ASP 87 6.020 -13.757 -13.269 475 HA ASP 87 HA ASP 87 8.188 -14.000 -11.336 476 HB2 ASP 87 HB2 ASP 87 9.680 -13.712 -13.305 477 HB3 ASP 87 HB1 ASP 87 8.548 -15.030 -13.503 478 H VAL 88 HN VAL 88 9.639 -12.280 -10.846 479 HA VAL 88 HA VAL 88 8.214 -9.686 -10.767 480 HB VAL 88 HB VAL 88 9.142 -9.385 -8.480 481 HG11 VAL 88 HG11 VAL 88 7.538 -11.944 -8.811 482 HG12 VAL 88 HG12 VAL 88 6.888 -10.306 -8.727 483 HG13 VAL 88 HG13 VAL 88 7.679 -11.010 -7.317 484 HG21 VAL 88 HG21 VAL 88 10.172 -11.259 -7.242 485 HG22 VAL 88 HG22 VAL 88 11.161 -10.796 -8.626 486 HG23 VAL 88 HG23 VAL 88 10.158 -12.244 -8.709 487 H TYR 89 HN TYR 89 9.417 -7.788 -10.748 488 HA TYR 89 HA TYR 89 12.033 -7.932 -12.114 489 HB2 TYR 89 HB2 TYR 89 9.566 -6.299 -12.897 490 HB3 TYR 89 HB1 TYR 89 11.154 -6.093 -13.623 491 HD1 TYR 89 HD1 TYR 89 8.269 -8.440 -13.307 492 HD2 TYR 89 HD2 TYR 89 11.894 -7.544 -15.381 493 HE1 TYR 89 HE1 TYR 89 7.670 -10.063 -15.061 494 HE2 TYR 89 HE2 TYR 89 11.286 -9.147 -17.136 495 HH TYR 89 HH TYR 89 9.767 -11.276 -17.225 496 H LYS 90 HN LYS 90 13.127 -5.866 -12.213 497 HA LYS 90 HA LYS 90 12.534 -3.919 -10.065 498 HB2 LYS 90 HB2 LYS 90 15.128 -4.523 -11.561 499 HB3 LYS 90 HB1 LYS 90 14.936 -3.184 -10.431 500 HG2 LYS 90 HG2 LYS 90 14.660 -6.129 -9.728 501 HG3 LYS 90 HG1 LYS 90 16.090 -5.130 -9.429 502 HD2 LYS 90 HD2 LYS 90 14.683 -3.640 -7.979 503 HD3 LYS 90 HD1 LYS 90 13.323 -4.748 -8.207 504 HE2 LYS 90 HE2 LYS 90 14.576 -6.546 -7.112 505 HE3 LYS 90 HE1 LYS 90 15.996 -5.505 -6.969 506 HZ1 LYS 90 HZ1 LYS 90 14.669 -4.024 -5.553 507 HZ2 LYS 90 HZ2 LYS 90 14.834 -5.576 -4.904 508 HZ3 LYS 90 HZ3 LYS 90 13.384 -5.119 -5.630 509 H ALA 91 HN ALA 91 12.995 -1.635 -10.654 510 HA ALA 91 HA ALA 91 11.827 -0.975 -13.257 511 HB1 ALA 91 HB1 ALA 91 10.910 0.116 -11.247 512 HB2 ALA 91 HB2 ALA 91 11.589 1.304 -12.358 513 HB3 ALA 91 HB3 ALA 91 12.478 0.849 -10.902 Start of MODEL 12 1 H HIS 21 HT1 HIS 21 -0.386 2.425 -6.105 2 HA HIS 21 HA HIS 21 -0.852 0.085 -5.783 3 HB2 HIS 21 HB2 HIS 21 1.483 0.510 -7.708 4 HB3 HIS 21 HB1 HIS 21 0.289 -0.779 -7.798 5 HD1 HIS 21 HD1 HIS 21 1.042 2.416 -9.232 6 HD2 HIS 21 HD2 HIS 21 -2.455 0.402 -8.231 7 HE1 HIS 21 HE1 HIS 21 -0.778 3.522 -10.567 8 HE2 HIS 21 HE2 HIS 21 -2.863 2.215 -10.022 9 H ALA 22 HN ALA 22 -0.169 -1.941 -5.027 10 HA ALA 22 HA ALA 22 1.970 -2.161 -3.204 11 HB1 ALA 22 HB1 ALA 22 1.504 -4.592 -3.228 12 HB2 ALA 22 HB2 ALA 22 0.499 -4.398 -4.667 13 HB3 ALA 22 HB3 ALA 22 0.006 -3.663 -3.139 14 H ALA 23 HN ALA 23 1.639 -3.776 -6.364 15 HA ALA 23 HA ALA 23 4.362 -2.972 -7.129 16 HB1 ALA 23 HB1 ALA 23 3.334 -5.831 -7.381 17 HB2 ALA 23 HB2 ALA 23 4.598 -5.284 -6.279 18 HB3 ALA 23 HB3 ALA 23 4.866 -5.223 -8.023 19 H THR 24 HN THR 24 4.420 -2.325 -9.211 20 HA THR 24 HA THR 24 2.050 -1.840 -10.698 21 HB THR 24 HB THR 24 4.966 -1.709 -11.625 22 HG1 THR 24 HG1 THR 24 3.363 0.048 -10.102 23 HG21 THR 24 HG21 THR 24 2.515 -0.246 -12.699 24 HG22 THR 24 HG22 THR 24 3.379 -1.549 -13.519 25 HG23 THR 24 HG23 THR 24 4.177 -0.002 -13.238 26 H GLU 25 HN GLU 25 1.076 -3.083 -12.291 27 HA GLU 25 HA GLU 25 2.031 -5.686 -12.988 28 HB2 GLU 25 HB2 GLU 25 -0.376 -5.113 -13.185 29 HB3 GLU 25 HB1 GLU 25 -0.004 -3.932 -14.432 30 HG2 GLU 25 HG2 GLU 25 1.090 -6.182 -15.562 31 HG3 GLU 25 HG1 GLU 25 -0.200 -6.912 -14.616 32 H LEU 26 HN LEU 26 3.626 -6.122 -14.363 33 HA LEU 26 HA LEU 26 4.532 -4.157 -16.328 34 HB2 LEU 26 HB2 LEU 26 6.129 -5.515 -14.711 35 HB3 LEU 26 HB1 LEU 26 5.882 -6.835 -15.842 36 HG LEU 26 HG LEU 26 6.725 -5.319 -17.694 37 HD11 LEU 26 HD11 LEU 26 7.481 -3.471 -15.404 38 HD12 LEU 26 HD12 LEU 26 6.279 -3.144 -16.657 39 HD13 LEU 26 HD13 LEU 26 7.981 -3.290 -17.088 40 HD21 LEU 26 HD21 LEU 26 8.206 -6.987 -16.675 41 HD22 LEU 26 HD22 LEU 26 8.676 -5.829 -15.429 42 HD23 LEU 26 HD23 LEU 26 9.103 -5.535 -17.118 43 H THR 27 HN THR 27 3.303 -4.248 -18.067 44 HA THR 27 HA THR 27 1.700 -6.309 -19.052 45 HB THR 27 HB THR 27 2.980 -3.945 -20.512 46 HG1 THR 27 HG1 THR 27 0.883 -4.183 -18.700 47 HG21 THR 27 HG21 THR 27 1.999 -5.534 -22.149 48 HG22 THR 27 HG22 THR 27 1.083 -4.028 -22.081 49 HG23 THR 27 HG23 THR 27 0.459 -5.473 -21.284 50 HA PRO 28 HA PRO 28 4.405 -9.438 -20.872 51 HB2 PRO 28 HB2 PRO 28 2.999 -9.655 -23.383 52 HB3 PRO 28 HB1 PRO 28 2.812 -10.670 -21.953 53 HG2 PRO 28 HG2 PRO 28 1.215 -8.275 -22.809 54 HG3 PRO 28 HG1 PRO 28 0.673 -9.752 -21.985 55 HD2 PRO 28 HD2 PRO 28 0.904 -7.500 -20.608 56 HD3 PRO 28 HD1 PRO 28 1.488 -9.020 -19.886 57 H GLU 29 HN GLU 29 3.519 -6.685 -22.910 58 HA GLU 29 HA GLU 29 5.558 -6.833 -24.840 59 HB2 GLU 29 HB2 GLU 29 4.148 -4.344 -23.788 60 HB3 GLU 29 HB1 GLU 29 4.977 -4.494 -25.339 61 HG2 GLU 29 HG2 GLU 29 2.430 -5.908 -24.478 62 HG3 GLU 29 HG1 GLU 29 2.580 -4.621 -25.676 63 H GLN 30 HN GLN 30 5.410 -5.122 -21.739 64 HA GLN 30 HA GLN 30 7.998 -3.892 -21.891 65 HB2 GLN 30 HB2 GLN 30 6.211 -4.370 -19.464 66 HB3 GLN 30 HB1 GLN 30 7.577 -3.257 -19.540 67 HG2 GLN 30 HG2 GLN 30 4.967 -3.023 -21.071 68 HG3 GLN 30 HG1 GLN 30 5.467 -2.045 -19.694 69 HE21 GLN 30 HE21 GLN 30 7.166 -0.524 -19.977 70 HE22 GLN 30 HE22 GLN 30 7.595 0.064 -21.540 71 H ALA 31 HN ALA 31 6.671 -6.773 -20.358 72 HA ALA 31 HA ALA 31 9.009 -7.581 -18.925 73 HB1 ALA 31 HB1 ALA 31 6.748 -8.169 -18.172 74 HB2 ALA 31 HB2 ALA 31 7.721 -9.618 -18.432 75 HB3 ALA 31 HB3 ALA 31 6.506 -9.144 -19.625 76 H ALA 32 HN ALA 32 7.907 -8.021 -22.178 77 HA ALA 32 HA ALA 32 9.411 -10.305 -22.945 78 HB1 ALA 32 HB1 ALA 32 7.604 -9.379 -24.342 79 HB2 ALA 32 HB2 ALA 32 9.113 -9.461 -25.257 80 HB3 ALA 32 HB3 ALA 32 8.547 -7.913 -24.615 81 H ALA 33 HN ALA 33 10.169 -6.886 -22.612 82 HA ALA 33 HA ALA 33 12.859 -7.110 -23.740 83 HB1 ALA 33 HB1 ALA 33 12.949 -4.674 -23.373 84 HB2 ALA 33 HB2 ALA 33 11.395 -4.735 -22.537 85 HB3 ALA 33 HB3 ALA 33 11.490 -5.134 -24.253 86 H LEU 34 HN LEU 34 11.299 -6.560 -20.592 87 HA LEU 34 HA LEU 34 13.841 -6.196 -19.201 88 HB2 LEU 34 HB2 LEU 34 10.964 -6.144 -18.206 89 HB3 LEU 34 HB1 LEU 34 12.363 -5.849 -17.182 90 HG LEU 34 HG LEU 34 11.570 -4.136 -19.574 91 HD11 LEU 34 HD11 LEU 34 10.927 -2.420 -17.938 92 HD12 LEU 34 HD12 LEU 34 11.255 -3.543 -16.616 93 HD13 LEU 34 HD13 LEU 34 9.953 -3.880 -17.760 94 HD21 LEU 34 HD21 LEU 34 13.759 -3.697 -17.512 95 HD22 LEU 34 HD22 LEU 34 13.287 -2.557 -18.775 96 HD23 LEU 34 HD23 LEU 34 13.992 -4.109 -19.213 97 H LYS 35 HN LYS 35 14.822 -7.665 -17.979 98 HA LYS 35 HA LYS 35 13.776 -10.404 -17.799 99 HB2 LYS 35 HB2 LYS 35 16.046 -10.070 -18.767 100 HB3 LYS 35 HB1 LYS 35 16.574 -9.299 -17.275 101 HG2 LYS 35 HG2 LYS 35 16.260 -11.411 -16.048 102 HG3 LYS 35 HG1 LYS 35 15.657 -12.188 -17.513 103 HD2 LYS 35 HD2 LYS 35 17.999 -12.809 -17.089 104 HD3 LYS 35 HD1 LYS 35 17.851 -11.897 -18.593 105 HE2 LYS 35 HE2 LYS 35 18.629 -9.852 -17.417 106 HE3 LYS 35 HE1 LYS 35 18.789 -10.781 -15.920 107 HZ1 LYS 35 HZ1 LYS 35 20.425 -12.175 -17.039 108 HZ2 LYS 35 HZ2 LYS 35 20.895 -10.553 -17.015 109 HZ3 LYS 35 HZ3 LYS 35 20.291 -11.234 -18.438 110 HA PRO 36 HA PRO 36 12.940 -9.662 -13.382 111 HB2 PRO 36 HB2 PRO 36 12.287 -12.183 -12.636 112 HB3 PRO 36 HB1 PRO 36 11.233 -11.232 -13.699 113 HG2 PRO 36 HG2 PRO 36 13.289 -13.322 -14.452 114 HG3 PRO 36 HG1 PRO 36 11.596 -13.193 -14.979 115 HD2 PRO 36 HD2 PRO 36 13.636 -12.280 -16.511 116 HD3 PRO 36 HD1 PRO 36 12.058 -11.459 -16.476 117 H TYR 37 HN TYR 37 13.793 -10.231 -11.292 118 HA TYR 37 HA TYR 37 16.519 -11.333 -11.300 119 HB2 TYR 37 HB2 TYR 37 16.802 -10.345 -9.098 120 HB3 TYR 37 HB1 TYR 37 16.140 -9.129 -10.174 121 HD1 TYR 37 HD1 TYR 37 13.575 -8.671 -10.010 122 HD2 TYR 37 HD2 TYR 37 15.742 -10.782 -6.996 123 HE1 TYR 37 HE1 TYR 37 11.804 -8.174 -8.379 124 HE2 TYR 37 HE2 TYR 37 13.965 -10.287 -5.375 125 HH TYR 37 HH TYR 37 12.201 -8.614 -5.039 126 H ASP 38 HN ASP 38 13.281 -12.080 -10.353 127 HA ASP 38 HA ASP 38 13.961 -14.792 -9.581 128 HB2 ASP 38 HB2 ASP 38 14.250 -13.395 -7.451 129 HB3 ASP 38 HB1 ASP 38 12.542 -12.987 -7.553 130 H ARG 39 HN ARG 39 11.728 -15.912 -8.943 131 HA ARG 39 HA ARG 39 9.401 -14.696 -10.294 132 HB2 ARG 39 HB2 ARG 39 10.287 -16.298 -11.905 133 HB3 ARG 39 HB1 ARG 39 10.464 -17.532 -10.662 134 HG2 ARG 39 HG2 ARG 39 8.040 -17.757 -10.473 135 HG3 ARG 39 HG1 ARG 39 7.798 -16.425 -11.604 136 HD2 ARG 39 HD2 ARG 39 9.211 -19.013 -12.331 137 HD3 ARG 39 HD1 ARG 39 7.486 -18.730 -12.589 138 HE ARG 39 HE ARG 39 8.504 -16.639 -13.873 139 HH11 ARG 39 HH11 ARG 39 9.618 -19.962 -14.007 140 HH12 ARG 39 HH12 ARG 39 10.076 -19.854 -15.673 141 HH21 ARG 39 HH21 ARG 39 9.108 -16.518 -16.031 142 HH22 ARG 39 HH22 ARG 39 9.812 -17.900 -16.814 143 H ILE 40 HN ILE 40 7.756 -14.589 -8.896 144 HA ILE 40 HA ILE 40 7.694 -16.174 -6.432 145 HB ILE 40 HB ILE 40 5.751 -14.768 -5.795 146 HG12 ILE 40 HG12 ILE 40 6.147 -13.355 -8.483 147 HG13 ILE 40 HG11 ILE 40 4.791 -14.402 -8.081 148 HG21 ILE 40 HG21 ILE 40 6.951 -12.626 -5.558 149 HG22 ILE 40 HG22 ILE 40 8.130 -13.151 -6.762 150 HG23 ILE 40 HG23 ILE 40 7.998 -14.005 -5.224 151 HD11 ILE 40 HD11 ILE 40 5.434 -11.763 -6.773 152 HD12 ILE 40 HD12 ILE 40 4.067 -12.809 -6.376 153 HD13 ILE 40 HD13 ILE 40 4.179 -12.070 -7.971 154 H VAL 41 HN VAL 41 5.644 -17.132 -5.741 155 HA VAL 41 HA VAL 41 3.833 -18.105 -7.836 156 HB VAL 41 HB VAL 41 5.569 -19.853 -7.685 157 HG11 VAL 41 HG11 VAL 41 5.993 -21.130 -5.602 158 HG12 VAL 41 HG12 VAL 41 4.943 -20.024 -4.715 159 HG13 VAL 41 HG13 VAL 41 6.440 -19.428 -5.435 160 HG21 VAL 41 HG21 VAL 41 2.971 -20.761 -6.384 161 HG22 VAL 41 HG22 VAL 41 4.148 -21.820 -7.164 162 HG23 VAL 41 HG23 VAL 41 3.277 -20.617 -8.117 163 H ILE 42 HN ILE 42 1.764 -18.319 -7.122 164 HA ILE 42 HA ILE 42 1.148 -18.449 -4.249 165 HB ILE 42 HB ILE 42 -0.780 -16.898 -4.489 166 HG12 ILE 42 HG12 ILE 42 0.325 -16.119 -7.225 167 HG13 ILE 42 HG11 ILE 42 -1.052 -17.188 -7.001 168 HG21 ILE 42 HG21 ILE 42 0.440 -14.744 -4.525 169 HG22 ILE 42 HG22 ILE 42 1.847 -15.552 -5.221 170 HG23 ILE 42 HG23 ILE 42 1.307 -15.969 -3.594 171 HD11 ILE 42 HD11 ILE 42 -0.912 -14.304 -6.142 172 HD12 ILE 42 HD12 ILE 42 -2.298 -15.378 -5.948 173 HD13 ILE 42 HD13 ILE 42 -1.741 -14.937 -7.561 174 H THR 43 HN THR 43 -0.778 -19.615 -3.831 175 HA THR 43 HA THR 43 -2.169 -20.863 -6.123 176 HB THR 43 HB THR 43 -1.363 -22.427 -3.619 177 HG1 THR 43 HG1 THR 43 0.470 -21.855 -4.950 178 HG21 THR 43 HG21 THR 43 -2.488 -23.352 -6.295 179 HG22 THR 43 HG22 THR 43 -3.377 -23.293 -4.771 180 HG23 THR 43 HG23 THR 43 -2.020 -24.404 -4.958 181 H GLY 44 HN GLY 44 -4.350 -20.903 -5.870 182 HA2 GLY 44 HA2 GLY 44 -5.564 -20.274 -3.243 183 HA3 GLY 44 HA1 GLY 44 -5.990 -19.350 -4.684 184 H ARG 45 HN ARG 45 -8.048 -20.443 -3.510 185 HA ARG 45 HA ARG 45 -8.935 -22.574 -5.284 186 HB2 ARG 45 HB2 ARG 45 -7.925 -23.761 -3.315 187 HB3 ARG 45 HB1 ARG 45 -9.020 -22.889 -2.249 188 HG2 ARG 45 HG2 ARG 45 -10.954 -23.992 -3.349 189 HG3 ARG 45 HG1 ARG 45 -9.839 -24.875 -4.396 190 HD2 ARG 45 HD2 ARG 45 -9.977 -25.090 -1.367 191 HD3 ARG 45 HD1 ARG 45 -10.628 -26.263 -2.516 192 HE ARG 45 HE ARG 45 -7.796 -25.753 -2.832 193 HH11 ARG 45 HH11 ARG 45 -10.158 -27.754 -1.157 194 HH12 ARG 45 HH12 ARG 45 -9.014 -29.007 -0.800 195 HH21 ARG 45 HH21 ARG 45 -6.322 -27.421 -2.364 196 HH22 ARG 45 HH22 ARG 45 -6.841 -28.814 -1.470 197 H PHE 46 HN PHE 46 -10.636 -21.531 -6.122 198 HA PHE 46 HA PHE 46 -12.863 -21.042 -6.292 199 HB2 PHE 46 HB2 PHE 46 -13.298 -22.376 -4.248 200 HB3 PHE 46 HB1 PHE 46 -12.937 -20.980 -3.245 201 HD1 PHE 46 HD2 PHE 46 -15.271 -22.025 -6.016 202 HD2 PHE 46 HD1 PHE 46 -14.755 -19.700 -2.460 203 HE1 PHE 46 HE2 PHE 46 -17.646 -21.391 -6.072 204 HE2 PHE 46 HE1 PHE 46 -17.136 -19.070 -2.531 205 HZ PHE 46 HZ PHE 46 -18.584 -19.918 -4.337 206 H ASN 47 HN ASN 47 -10.471 -19.201 -5.033 207 HA ASN 47 HA ASN 47 -11.617 -16.604 -4.831 208 HB2 ASN 47 HB2 ASN 47 -9.212 -15.859 -5.065 209 HB3 ASN 47 HB1 ASN 47 -9.432 -17.079 -3.817 210 HD21 ASN 47 HD21 ASN 47 -7.057 -16.295 -5.496 211 HD22 ASN 47 HD22 ASN 47 -6.509 -17.786 -6.169 212 H ALA 48 HN ALA 48 -11.470 -14.898 -6.350 213 HA ALA 48 HA ALA 48 -11.752 -15.691 -9.150 214 HB1 ALA 48 HB1 ALA 48 -13.433 -14.187 -8.150 215 HB2 ALA 48 HB2 ALA 48 -12.590 -13.401 -9.483 216 HB3 ALA 48 HB3 ALA 48 -12.177 -12.990 -7.817 217 H ILE 49 HN ILE 49 -10.806 -14.117 -10.786 218 HA ILE 49 HA ILE 49 -8.005 -14.081 -10.754 219 HB ILE 49 HB ILE 49 -9.271 -14.068 -12.862 220 HG12 ILE 49 HG12 ILE 49 -7.991 -12.315 -14.142 221 HG13 ILE 49 HG11 ILE 49 -7.513 -11.576 -12.621 222 HG21 ILE 49 HG21 ILE 49 -11.166 -12.663 -12.208 223 HG22 ILE 49 HG22 ILE 49 -10.447 -12.076 -13.707 224 HG23 ILE 49 HG23 ILE 49 -10.126 -11.234 -12.189 225 HD11 ILE 49 HD11 ILE 49 -5.733 -12.914 -13.603 226 HD12 ILE 49 HD12 ILE 49 -6.753 -14.350 -13.544 227 HD13 ILE 49 HD13 ILE 49 -6.231 -13.574 -12.046 228 H GLY 50 HN GLY 50 -10.346 -11.619 -9.722 229 HA2 GLY 50 HA2 GLY 50 -8.598 -9.404 -9.410 230 HA3 GLY 50 HA1 GLY 50 -10.122 -9.638 -8.565 231 H ASP 51 HN ASP 51 -9.438 -12.081 -7.262 232 HA ASP 51 HA ASP 51 -8.022 -11.163 -4.940 233 HB2 ASP 51 HB2 ASP 51 -8.898 -13.988 -5.693 234 HB3 ASP 51 HB1 ASP 51 -8.357 -13.475 -4.092 235 H ALA 52 HN ALA 52 -7.269 -13.193 -7.706 236 HA ALA 52 HA ALA 52 -4.736 -14.169 -6.895 237 HB1 ALA 52 HB1 ALA 52 -4.400 -14.720 -9.282 238 HB2 ALA 52 HB2 ALA 52 -5.813 -13.754 -9.712 239 HB3 ALA 52 HB3 ALA 52 -6.003 -15.211 -8.734 240 H VAL 53 HN VAL 53 -5.734 -11.283 -8.746 241 HA VAL 53 HA VAL 53 -3.137 -10.361 -9.417 242 HB VAL 53 HB VAL 53 -5.795 -8.867 -9.326 243 HG11 VAL 53 HG11 VAL 53 -3.996 -7.205 -9.051 244 HG12 VAL 53 HG12 VAL 53 -4.699 -7.070 -10.663 245 HG13 VAL 53 HG13 VAL 53 -3.140 -7.868 -10.445 246 HG21 VAL 53 HG21 VAL 53 -4.181 -9.935 -11.680 247 HG22 VAL 53 HG22 VAL 53 -5.728 -9.090 -11.786 248 HG23 VAL 53 HG23 VAL 53 -5.639 -10.676 -11.020 249 H SER 54 HN SER 54 -5.316 -9.556 -6.705 250 HA SER 54 HA SER 54 -3.665 -7.549 -5.546 251 HB2 SER 54 HB2 SER 54 -5.068 -7.972 -3.463 252 HB3 SER 54 HB1 SER 54 -5.984 -7.588 -4.918 253 HG SER 54 HG SER 54 -6.882 -9.475 -4.823 254 H ALA 55 HN ALA 55 -3.912 -11.056 -5.027 255 HA ALA 55 HA ALA 55 -2.133 -11.213 -2.807 256 HB1 ALA 55 HB1 ALA 55 -2.159 -13.640 -3.206 257 HB2 ALA 55 HB2 ALA 55 -2.933 -13.383 -4.774 258 HB3 ALA 55 HB3 ALA 55 -3.786 -12.963 -3.288 259 H VAL 56 HN VAL 56 -1.641 -11.499 -6.316 260 HA VAL 56 HA VAL 56 1.103 -12.376 -6.085 261 HB VAL 56 HB VAL 56 -0.458 -13.037 -7.981 262 HG11 VAL 56 HG11 VAL 56 0.090 -10.260 -9.026 263 HG12 VAL 56 HG12 VAL 56 -1.464 -10.897 -8.501 264 HG13 VAL 56 HG13 VAL 56 -0.682 -11.565 -9.933 265 HG21 VAL 56 HG21 VAL 56 2.211 -11.870 -8.812 266 HG22 VAL 56 HG22 VAL 56 1.282 -13.065 -9.721 267 HG23 VAL 56 HG23 VAL 56 1.941 -13.478 -8.137 268 H SER 57 HN SER 57 -0.570 -9.315 -6.500 269 HA SER 57 HA SER 57 1.722 -7.738 -7.234 270 HB2 SER 57 HB2 SER 57 -0.635 -7.042 -7.729 271 HB3 SER 57 HB1 SER 57 -0.920 -6.825 -6.004 272 HG SER 57 HG SER 57 0.894 -5.394 -7.651 273 H ARG 58 HN ARG 58 0.017 -8.486 -4.215 274 HA ARG 58 HA ARG 58 1.552 -6.787 -2.513 275 HB2 ARG 58 HB2 ARG 58 -0.747 -7.593 -1.954 276 HB3 ARG 58 HB1 ARG 58 -0.125 -9.229 -1.793 277 HG2 ARG 58 HG2 ARG 58 -0.442 -8.201 0.401 278 HG3 ARG 58 HG1 ARG 58 1.268 -8.535 0.114 279 HD2 ARG 58 HD2 ARG 58 1.689 -6.186 -0.403 280 HD3 ARG 58 HD1 ARG 58 -0.035 -5.814 -0.276 281 HE ARG 58 HE ARG 58 0.223 -6.614 2.127 282 HH11 ARG 58 HH11 ARG 58 2.808 -4.926 0.431 283 HH12 ARG 58 HH12 ARG 58 3.532 -4.353 1.896 284 HH21 ARG 58 HH21 ARG 58 1.203 -5.843 4.014 285 HH22 ARG 58 HH22 ARG 58 2.629 -4.860 3.911 286 H ARG 59 HN ARG 59 1.702 -10.243 -3.346 287 HA ARG 59 HA ARG 59 3.865 -11.006 -1.718 288 HB2 ARG 59 HB2 ARG 59 2.469 -12.681 -2.763 289 HB3 ARG 59 HB1 ARG 59 2.863 -12.107 -4.373 290 HG2 ARG 59 HG2 ARG 59 3.932 -14.290 -3.723 291 HG3 ARG 59 HG1 ARG 59 5.060 -13.057 -4.280 292 HD2 ARG 59 HD2 ARG 59 5.886 -14.357 -2.321 293 HD3 ARG 59 HD1 ARG 59 5.803 -12.622 -2.022 294 HE ARG 59 HE ARG 59 3.513 -14.192 -1.133 295 HH11 ARG 59 HH11 ARG 59 6.551 -12.666 -0.206 296 HH12 ARG 59 HH12 ARG 59 6.183 -12.712 1.488 297 HH21 ARG 59 HH21 ARG 59 3.048 -14.206 1.085 298 HH22 ARG 59 HH22 ARG 59 4.203 -13.578 2.216 299 H ALA 60 HN ALA 60 3.813 -9.813 -5.086 300 HA ALA 60 HA ALA 60 6.562 -9.794 -5.632 301 HB1 ALA 60 HB1 ALA 60 6.025 -8.122 -7.366 302 HB2 ALA 60 HB2 ALA 60 4.440 -7.862 -6.629 303 HB3 ALA 60 HB3 ALA 60 4.835 -9.426 -7.346 304 H ASP 61 HN ASP 61 4.523 -7.319 -4.143 305 HA ASP 61 HA ASP 61 6.405 -5.258 -3.776 306 HB2 ASP 61 HB2 ASP 61 3.968 -4.944 -3.602 307 HB3 ASP 61 HB1 ASP 61 3.915 -5.982 -2.184 308 H GLU 62 HN GLU 62 5.519 -8.035 -1.745 309 HA GLU 62 HA GLU 62 7.179 -7.300 0.485 310 HB2 GLU 62 HB2 GLU 62 5.719 -9.884 -0.192 311 HB3 GLU 62 HB1 GLU 62 6.609 -9.632 1.311 312 HG2 GLU 62 HG2 GLU 62 4.200 -8.031 0.372 313 HG3 GLU 62 HG1 GLU 62 4.196 -9.281 1.615 314 H GLU 63 HN GLU 63 7.878 -8.800 -2.524 315 HA GLU 63 HA GLU 63 10.379 -10.000 -1.577 316 HB2 GLU 63 HB2 GLU 63 9.455 -9.622 -4.458 317 HB3 GLU 63 HB1 GLU 63 10.754 -10.670 -3.888 318 HG2 GLU 63 HG2 GLU 63 7.778 -11.018 -3.550 319 HG3 GLU 63 HG1 GLU 63 8.904 -12.063 -4.394 320 H GLY 64 HN GLY 64 9.264 -6.936 -2.457 321 HA2 GLY 64 HA2 GLY 64 10.518 -4.945 -2.388 322 HA3 GLY 64 HA1 GLY 64 11.988 -5.847 -2.725 323 H ALA 65 HN ALA 65 9.525 -6.849 -4.773 324 HA ALA 65 HA ALA 65 10.825 -5.773 -7.094 325 HB1 ALA 65 HB1 ALA 65 8.250 -7.365 -6.880 326 HB2 ALA 65 HB2 ALA 65 9.871 -8.036 -7.075 327 HB3 ALA 65 HB3 ALA 65 9.166 -7.053 -8.359 328 H ALA 66 HN ALA 66 10.361 -3.992 -8.162 329 HA ALA 66 HA ALA 66 8.335 -2.111 -7.472 330 HB1 ALA 66 HB1 ALA 66 10.103 -2.278 -9.946 331 HB2 ALA 66 HB2 ALA 66 10.486 -1.429 -8.450 332 HB3 ALA 66 HB3 ALA 66 9.151 -0.871 -9.455 333 H SER 67 HN SER 67 8.646 -4.616 -9.910 334 HA SER 67 HA SER 67 5.835 -4.313 -10.726 335 HB2 SER 67 HB2 SER 67 8.193 -4.555 -12.656 336 HB3 SER 67 HB1 SER 67 6.489 -4.602 -13.116 337 HG SER 67 HG SER 67 6.905 -2.408 -11.654 338 H PHE 68 HN PHE 68 5.017 -6.219 -11.865 339 HA PHE 68 HA PHE 68 6.542 -8.723 -11.662 340 HB2 PHE 68 HB2 PHE 68 4.783 -9.927 -10.510 341 HB3 PHE 68 HB1 PHE 68 5.115 -8.492 -9.552 342 HD1 PHE 68 HD2 PHE 68 3.465 -6.568 -9.576 343 HD2 PHE 68 HD1 PHE 68 2.598 -10.289 -11.508 344 HE1 PHE 68 HE2 PHE 68 1.078 -5.970 -9.682 345 HE2 PHE 68 HE1 PHE 68 0.225 -9.670 -11.618 346 HZ PHE 68 HZ PHE 68 -0.541 -7.528 -10.701 347 H TYR 69 HN TYR 69 5.821 -10.293 -13.191 348 HA TYR 69 HA TYR 69 3.517 -9.582 -14.901 349 HB2 TYR 69 HB2 TYR 69 5.422 -9.098 -16.303 350 HB3 TYR 69 HB1 TYR 69 6.250 -10.575 -15.820 351 HD1 TYR 69 HD1 TYR 69 2.965 -9.577 -17.378 352 HD2 TYR 69 HD2 TYR 69 6.234 -12.333 -17.413 353 HE1 TYR 69 HE1 TYR 69 1.953 -10.756 -19.270 354 HE2 TYR 69 HE2 TYR 69 5.215 -13.507 -19.322 355 HH TYR 69 HH TYR 69 2.855 -13.792 -20.237 356 H VAL 70 HN VAL 70 2.016 -11.096 -14.571 357 HA VAL 70 HA VAL 70 2.449 -13.716 -13.593 358 HB VAL 70 HB VAL 70 0.064 -12.636 -15.173 359 HG11 VAL 70 HG11 VAL 70 -1.218 -14.534 -14.225 360 HG12 VAL 70 HG12 VAL 70 0.254 -15.167 -13.485 361 HG13 VAL 70 HG13 VAL 70 0.108 -15.100 -15.243 362 HG21 VAL 70 HG21 VAL 70 0.462 -11.379 -13.077 363 HG22 VAL 70 HG22 VAL 70 0.446 -12.885 -12.155 364 HG23 VAL 70 HG23 VAL 70 -1.021 -12.332 -12.967 365 H VAL 71 HN VAL 71 3.616 -15.215 -14.661 366 HA VAL 71 HA VAL 71 4.024 -14.963 -17.544 367 HB VAL 71 HB VAL 71 5.982 -15.211 -16.042 368 HG11 VAL 71 HG11 VAL 71 4.978 -18.013 -15.433 369 HG12 VAL 71 HG12 VAL 71 5.019 -16.660 -14.302 370 HG13 VAL 71 HG13 VAL 71 6.527 -17.330 -14.927 371 HG21 VAL 71 HG21 VAL 71 7.201 -16.926 -17.340 372 HG22 VAL 71 HG22 VAL 71 6.208 -15.907 -18.385 373 HG23 VAL 71 HG23 VAL 71 5.671 -17.537 -17.975 374 H ASP 72 HN ASP 72 2.364 -16.969 -15.241 375 HA ASP 72 HA ASP 72 1.093 -18.557 -17.289 376 HB2 ASP 72 HB2 ASP 72 3.219 -19.776 -17.018 377 HB3 ASP 72 HB1 ASP 72 2.986 -19.860 -15.289 378 H THR 73 HN THR 73 -0.945 -18.804 -16.654 379 HA THR 73 HA THR 73 -1.592 -19.357 -13.812 380 HB THR 73 HB THR 73 -4.002 -18.846 -14.537 381 HG1 THR 73 HG1 THR 73 -4.187 -17.591 -16.482 382 HG21 THR 73 HG21 THR 73 -2.032 -16.546 -14.797 383 HG22 THR 73 HG22 THR 73 -2.709 -17.152 -13.286 384 HG23 THR 73 HG23 THR 73 -3.765 -16.391 -14.477 385 H SER 74 HN SER 74 -1.729 -21.471 -13.482 386 HA SER 74 HA SER 74 -3.168 -23.196 -15.409 387 HB2 SER 74 HB2 SER 74 -0.640 -23.889 -13.839 388 HB3 SER 74 HB1 SER 74 -1.641 -25.083 -14.676 389 HG SER 74 HG SER 74 -0.331 -22.874 -15.886 390 H GLU 75 HN GLU 75 -4.604 -24.663 -14.439 391 HA GLU 75 HA GLU 75 -5.446 -24.169 -11.759 392 HB2 GLU 75 HB2 GLU 75 -7.016 -26.003 -12.053 393 HB3 GLU 75 HB1 GLU 75 -7.024 -24.993 -13.489 394 HG2 GLU 75 HG2 GLU 75 -5.843 -26.626 -14.770 395 HG3 GLU 75 HG1 GLU 75 -5.426 -27.565 -13.337 396 H PHE 76 HN PHE 76 -5.329 -25.629 -9.958 397 HA PHE 76 HA PHE 76 -2.836 -27.162 -9.835 398 HB2 PHE 76 HB2 PHE 76 -3.454 -25.361 -8.128 399 HB3 PHE 76 HB1 PHE 76 -4.728 -26.429 -7.561 400 HD1 PHE 76 HD2 PHE 76 -1.036 -26.107 -7.930 401 HD2 PHE 76 HD1 PHE 76 -4.224 -28.204 -5.993 402 HE1 PHE 76 HE2 PHE 76 0.583 -27.199 -6.434 403 HE2 PHE 76 HE1 PHE 76 -2.591 -29.293 -4.504 404 HZ PHE 76 HZ PHE 76 -0.187 -28.791 -4.724 405 H GLY 77 HN GLY 77 -4.310 -28.543 -11.441 406 HA2 GLY 77 HA2 GLY 77 -5.288 -30.564 -11.913 407 HA3 GLY 77 HA1 GLY 77 -4.809 -31.070 -10.302 408 H ASN 78 HN ASN 78 -6.974 -28.396 -10.954 409 HA ASN 78 HA ASN 78 -9.415 -29.717 -10.168 410 HB2 ASN 78 HB2 ASN 78 -8.118 -29.586 -8.002 411 HB3 ASN 78 HB1 ASN 78 -8.041 -27.843 -8.188 412 HD21 ASN 78 HD21 ASN 78 -9.111 -29.318 -5.976 413 HD22 ASN 78 HD22 ASN 78 -10.784 -28.913 -5.827 414 H SER 79 HN SER 79 -11.151 -28.420 -10.757 415 HA SER 79 HA SER 79 -10.632 -26.221 -12.502 416 HB2 SER 79 HB2 SER 79 -12.488 -27.844 -12.839 417 HB3 SER 79 HB1 SER 79 -13.297 -27.217 -11.402 418 HG SER 79 HG SER 79 -12.646 -25.686 -13.705 419 H GLY 80 HN GLY 80 -11.664 -26.466 -9.141 420 HA2 GLY 80 HA2 GLY 80 -12.251 -23.613 -8.838 421 HA3 GLY 80 HA1 GLY 80 -12.370 -24.856 -7.601 422 H ASN 81 HN ASN 81 -9.814 -25.951 -7.690 423 HA ASN 81 HA ASN 81 -8.238 -23.913 -6.316 424 HB2 ASN 81 HB2 ASN 81 -8.497 -26.334 -5.505 425 HB3 ASN 81 HB1 ASN 81 -7.483 -26.826 -6.842 426 HD21 ASN 81 HD21 ASN 81 -5.684 -24.345 -6.370 427 HD22 ASN 81 HD22 ASN 81 -4.760 -24.798 -4.994 428 H TRP 82 HN TRP 82 -6.956 -22.605 -7.529 429 HA TRP 82 HA TRP 82 -5.498 -23.732 -9.835 430 HB2 TRP 82 HB2 TRP 82 -6.076 -21.837 -11.260 431 HB3 TRP 82 HB1 TRP 82 -7.545 -22.628 -10.710 432 HD1 TRP 82 HD1 TRP 82 -8.370 -21.197 -8.125 433 HE1 TRP 82 HE1 TRP 82 -8.862 -18.672 -8.026 434 HE3 TRP 82 HE3 TRP 82 -5.839 -19.703 -12.312 435 HZ2 TRP 82 HZ2 TRP 82 -8.282 -16.362 -9.524 436 HZ3 TRP 82 HZ3 TRP 82 -5.865 -17.318 -12.919 437 HH2 TRP 82 HH2 TRP 82 -7.064 -15.682 -11.551 438 H ARG 83 HN ARG 83 -3.554 -22.810 -10.293 439 HA ARG 83 HA ARG 83 -2.288 -21.225 -8.149 440 HB2 ARG 83 HB2 ARG 83 -1.535 -23.603 -8.430 441 HB3 ARG 83 HB1 ARG 83 -1.059 -23.257 -10.083 442 HG2 ARG 83 HG2 ARG 83 0.182 -21.751 -7.763 443 HG3 ARG 83 HG1 ARG 83 0.754 -23.358 -8.206 444 HD2 ARG 83 HD2 ARG 83 0.713 -20.934 -10.048 445 HD3 ARG 83 HD1 ARG 83 2.129 -21.567 -9.213 446 HE ARG 83 HE ARG 83 1.742 -23.671 -10.524 447 HH11 ARG 83 HH11 ARG 83 0.564 -20.615 -11.856 448 HH12 ARG 83 HH12 ARG 83 0.861 -21.100 -13.496 449 HH21 ARG 83 HH21 ARG 83 2.049 -24.283 -12.665 450 HH22 ARG 83 HH22 ARG 83 1.683 -23.170 -13.954 451 H VAL 84 HN VAL 84 -1.453 -19.295 -8.659 452 HA VAL 84 HA VAL 84 -1.047 -18.504 -11.492 453 HB VAL 84 HB VAL 84 -1.573 -16.722 -9.056 454 HG11 VAL 84 HG11 VAL 84 -0.160 -15.566 -10.710 455 HG12 VAL 84 HG12 VAL 84 -1.772 -14.853 -10.662 456 HG13 VAL 84 HG13 VAL 84 -1.325 -15.932 -11.985 457 HG21 VAL 84 HG21 VAL 84 -3.594 -17.961 -9.688 458 HG22 VAL 84 HG22 VAL 84 -3.426 -17.426 -11.363 459 HG23 VAL 84 HG23 VAL 84 -3.771 -16.253 -10.093 460 H VAL 85 HN VAL 85 1.054 -18.213 -12.056 461 HA VAL 85 HA VAL 85 3.062 -17.666 -9.946 462 HB VAL 85 HB VAL 85 3.186 -20.016 -10.922 463 HG11 VAL 85 HG11 VAL 85 4.201 -20.378 -13.115 464 HG12 VAL 85 HG12 VAL 85 4.121 -18.647 -13.444 465 HG13 VAL 85 HG13 VAL 85 2.634 -19.574 -13.243 466 HG21 VAL 85 HG21 VAL 85 5.656 -18.297 -11.292 467 HG22 VAL 85 HG22 VAL 85 5.643 -20.055 -11.119 468 HG23 VAL 85 HG23 VAL 85 5.112 -19.033 -9.782 469 H ALA 86 HN ALA 86 4.608 -16.114 -10.426 470 HA ALA 86 HA ALA 86 4.408 -14.610 -12.940 471 HB1 ALA 86 HB1 ALA 86 3.947 -13.330 -10.216 472 HB2 ALA 86 HB2 ALA 86 2.715 -13.595 -11.451 473 HB3 ALA 86 HB3 ALA 86 4.046 -12.480 -11.763 474 H ASP 87 HN ASP 87 6.309 -13.627 -13.495 475 HA ASP 87 HA ASP 87 8.668 -13.851 -11.851 476 HB2 ASP 87 HB2 ASP 87 8.113 -12.417 -14.476 477 HB3 ASP 87 HB1 ASP 87 9.696 -12.438 -13.705 478 H VAL 88 HN VAL 88 9.913 -12.010 -11.095 479 HA VAL 88 HA VAL 88 8.340 -9.560 -10.562 480 HB VAL 88 HB VAL 88 9.536 -9.464 -8.288 481 HG11 VAL 88 HG11 VAL 88 7.474 -11.644 -8.731 482 HG12 VAL 88 HG12 VAL 88 7.144 -9.926 -8.496 483 HG13 VAL 88 HG13 VAL 88 7.843 -10.873 -7.183 484 HG21 VAL 88 HG21 VAL 88 11.240 -11.214 -8.667 485 HG22 VAL 88 HG22 VAL 88 9.970 -12.434 -8.789 486 HG23 VAL 88 HG23 VAL 88 10.241 -11.590 -7.261 487 H TYR 89 HN TYR 89 9.501 -7.628 -10.427 488 HA TYR 89 HA TYR 89 12.151 -7.642 -11.751 489 HB2 TYR 89 HB2 TYR 89 9.761 -5.922 -12.598 490 HB3 TYR 89 HB1 TYR 89 11.352 -5.941 -13.351 491 HD1 TYR 89 HD1 TYR 89 8.263 -7.943 -12.812 492 HD2 TYR 89 HD2 TYR 89 11.869 -7.569 -15.079 493 HE1 TYR 89 HE1 TYR 89 7.470 -9.672 -14.360 494 HE2 TYR 89 HE2 TYR 89 11.065 -9.303 -16.622 495 HH TYR 89 HH TYR 89 9.484 -11.174 -16.642 496 H LYS 90 HN LYS 90 13.466 -5.912 -11.177 497 HA LYS 90 HA LYS 90 12.568 -4.173 -8.969 498 HB2 LYS 90 HB2 LYS 90 15.339 -4.955 -9.969 499 HB3 LYS 90 HB1 LYS 90 15.080 -3.743 -8.724 500 HG2 LYS 90 HG2 LYS 90 14.187 -6.625 -8.482 501 HG3 LYS 90 HG1 LYS 90 15.726 -6.021 -7.878 502 HD2 LYS 90 HD2 LYS 90 13.100 -4.785 -6.988 503 HD3 LYS 90 HD1 LYS 90 13.717 -6.248 -6.225 504 HE2 LYS 90 HE2 LYS 90 14.321 -4.249 -4.930 505 HE3 LYS 90 HE1 LYS 90 15.763 -5.051 -5.545 506 HZ1 LYS 90 HZ1 LYS 90 14.501 -2.662 -6.773 507 HZ2 LYS 90 HZ2 LYS 90 15.961 -3.377 -7.237 508 HZ3 LYS 90 HZ3 LYS 90 15.831 -2.622 -5.732 509 H ALA 91 HN ALA 91 12.603 -1.959 -9.136 510 HA ALA 91 HA ALA 91 13.543 -0.680 -11.616 511 HB1 ALA 91 HB1 ALA 91 11.916 0.489 -9.328 512 HB2 ALA 91 HB2 ALA 91 11.287 -0.030 -10.892 513 HB3 ALA 91 HB3 ALA 91 12.384 1.347 -10.802 Start of MODEL 13 1 H HIS 21 HT1 HIS 21 -0.802 -0.572 -5.340 2 HA HIS 21 HA HIS 21 1.393 1.255 -6.113 3 HB2 HIS 21 HB2 HIS 21 1.152 2.152 -3.771 4 HB3 HIS 21 HB1 HIS 21 -0.258 2.447 -4.783 5 HD1 HIS 21 HD1 HIS 21 -2.468 1.434 -4.065 6 HD2 HIS 21 HD2 HIS 21 0.715 0.177 -1.694 7 HE1 HIS 21 HE1 HIS 21 -3.505 0.299 -2.082 8 HE2 HIS 21 HE2 HIS 21 -1.576 -0.299 -0.591 9 H ALA 22 HN ALA 22 0.544 -1.786 -4.771 10 HA ALA 22 HA ALA 22 2.772 -2.204 -3.029 11 HB1 ALA 22 HB1 ALA 22 2.061 -4.581 -3.081 12 HB2 ALA 22 HB2 ALA 22 0.951 -4.224 -4.407 13 HB3 ALA 22 HB3 ALA 22 0.689 -3.505 -2.817 14 H ALA 23 HN ALA 23 2.071 -3.901 -6.096 15 HA ALA 23 HA ALA 23 4.753 -3.270 -7.135 16 HB1 ALA 23 HB1 ALA 23 4.951 -5.522 -6.153 17 HB2 ALA 23 HB2 ALA 23 5.076 -5.592 -7.911 18 HB3 ALA 23 HB3 ALA 23 3.577 -6.080 -7.109 19 H THR 24 HN THR 24 4.537 -2.467 -9.104 20 HA THR 24 HA THR 24 2.026 -2.167 -10.418 21 HB THR 24 HB THR 24 4.866 -1.601 -11.416 22 HG1 THR 24 HG1 THR 24 4.512 -0.365 -9.627 23 HG21 THR 24 HG21 THR 24 3.806 0.018 -12.961 24 HG22 THR 24 HG22 THR 24 2.208 -0.504 -12.424 25 HG23 THR 24 HG23 THR 24 3.256 -1.630 -13.289 26 H GLU 25 HN GLU 25 1.048 -3.689 -11.760 27 HA GLU 25 HA GLU 25 2.497 -5.936 -12.774 28 HB2 GLU 25 HB2 GLU 25 -0.001 -5.948 -12.414 29 HB3 GLU 25 HB1 GLU 25 -0.176 -4.920 -13.834 30 HG2 GLU 25 HG2 GLU 25 0.864 -6.662 -15.233 31 HG3 GLU 25 HG1 GLU 25 1.077 -7.693 -13.821 32 H LEU 26 HN LEU 26 3.887 -5.845 -14.304 33 HA LEU 26 HA LEU 26 4.403 -3.602 -15.966 34 HB2 LEU 26 HB2 LEU 26 6.073 -5.308 -14.866 35 HB3 LEU 26 HB1 LEU 26 5.676 -6.356 -16.218 36 HG LEU 26 HG LEU 26 6.489 -4.566 -17.789 37 HD11 LEU 26 HD11 LEU 26 7.821 -2.695 -16.903 38 HD12 LEU 26 HD12 LEU 26 7.398 -3.158 -15.253 39 HD13 LEU 26 HD13 LEU 26 6.144 -2.599 -16.364 40 HD21 LEU 26 HD21 LEU 26 8.882 -4.936 -17.388 41 HD22 LEU 26 HD22 LEU 26 7.968 -6.424 -17.140 42 HD23 LEU 26 HD23 LEU 26 8.538 -5.497 -15.749 43 H THR 27 HN THR 27 4.137 -3.474 -18.219 44 HA THR 27 HA THR 27 2.023 -4.980 -19.416 45 HB THR 27 HB THR 27 2.468 -3.598 -21.428 46 HG1 THR 27 HG1 THR 27 4.398 -1.992 -20.387 47 HG21 THR 27 HG21 THR 27 2.105 -1.356 -20.466 48 HG22 THR 27 HG22 THR 27 2.606 -1.941 -18.877 49 HG23 THR 27 HG23 THR 27 1.130 -2.563 -19.625 50 HA PRO 28 HA PRO 28 4.182 -8.405 -21.419 51 HB2 PRO 28 HB2 PRO 28 2.767 -7.492 -23.931 52 HB3 PRO 28 HB1 PRO 28 2.871 -9.115 -23.223 53 HG2 PRO 28 HG2 PRO 28 0.649 -7.664 -22.958 54 HG3 PRO 28 HG1 PRO 28 1.242 -8.651 -21.604 55 HD2 PRO 28 HD2 PRO 28 1.397 -5.667 -21.988 56 HD3 PRO 28 HD1 PRO 28 1.171 -6.612 -20.500 57 H GLU 29 HN GLU 29 4.139 -5.274 -22.981 58 HA GLU 29 HA GLU 29 6.182 -5.680 -24.907 59 HB2 GLU 29 HB2 GLU 29 5.106 -3.114 -23.654 60 HB3 GLU 29 HB1 GLU 29 6.227 -3.141 -25.009 61 HG2 GLU 29 HG2 GLU 29 3.977 -2.717 -25.794 62 HG3 GLU 29 HG1 GLU 29 4.539 -4.274 -26.399 63 H GLN 30 HN GLN 30 6.179 -4.046 -21.739 64 HA GLN 30 HA GLN 30 8.997 -3.541 -21.655 65 HB2 GLN 30 HB2 GLN 30 6.934 -3.585 -19.420 66 HB3 GLN 30 HB1 GLN 30 8.569 -2.945 -19.267 67 HG2 GLN 30 HG2 GLN 30 8.043 -1.194 -20.916 68 HG3 GLN 30 HG1 GLN 30 6.415 -1.856 -21.105 69 HE21 GLN 30 HE21 GLN 30 8.575 -0.114 -18.982 70 HE22 GLN 30 HE22 GLN 30 7.370 0.469 -17.897 71 H ALA 31 HN ALA 31 6.946 -6.166 -20.567 72 HA ALA 31 HA ALA 31 8.804 -7.512 -18.868 73 HB1 ALA 31 HB1 ALA 31 7.192 -9.377 -18.931 74 HB2 ALA 31 HB2 ALA 31 6.324 -8.590 -20.254 75 HB3 ALA 31 HB3 ALA 31 6.373 -7.837 -18.659 76 H ALA 32 HN ALA 32 8.113 -7.576 -22.291 77 HA ALA 32 HA ALA 32 9.613 -9.906 -22.987 78 HB1 ALA 32 HB1 ALA 32 9.355 -9.110 -25.303 79 HB2 ALA 32 HB2 ALA 32 8.783 -7.546 -24.708 80 HB3 ALA 32 HB3 ALA 32 7.829 -9.003 -24.422 81 H ALA 33 HN ALA 33 10.409 -6.507 -22.523 82 HA ALA 33 HA ALA 33 13.049 -6.676 -23.758 83 HB1 ALA 33 HB1 ALA 33 13.247 -4.309 -23.122 84 HB2 ALA 33 HB2 ALA 33 11.741 -4.411 -22.202 85 HB3 ALA 33 HB3 ALA 33 11.723 -4.616 -23.955 86 H LEU 34 HN LEU 34 11.711 -6.256 -20.493 87 HA LEU 34 HA LEU 34 14.296 -6.269 -19.192 88 HB2 LEU 34 HB2 LEU 34 11.473 -6.267 -18.049 89 HB3 LEU 34 HB1 LEU 34 12.938 -6.078 -17.093 90 HG LEU 34 HG LEU 34 11.946 -4.113 -19.211 91 HD11 LEU 34 HD11 LEU 34 11.926 -3.860 -16.181 92 HD12 LEU 34 HD12 LEU 34 10.520 -4.069 -17.228 93 HD13 LEU 34 HD13 LEU 34 11.476 -2.595 -17.331 94 HD21 LEU 34 HD21 LEU 34 14.392 -4.106 -19.092 95 HD22 LEU 34 HD22 LEU 34 14.335 -3.894 -17.341 96 HD23 LEU 34 HD23 LEU 34 13.741 -2.618 -18.409 97 H LYS 35 HN LYS 35 14.458 -7.735 -17.157 98 HA LYS 35 HA LYS 35 13.497 -10.475 -17.654 99 HB2 LYS 35 HB2 LYS 35 15.953 -10.021 -18.428 100 HB3 LYS 35 HB1 LYS 35 16.346 -9.910 -16.719 101 HG2 LYS 35 HG2 LYS 35 16.861 -12.140 -17.584 102 HG3 LYS 35 HG1 LYS 35 15.574 -12.231 -16.378 103 HD2 LYS 35 HD2 LYS 35 15.105 -13.703 -18.320 104 HD3 LYS 35 HD1 LYS 35 13.881 -12.447 -18.153 105 HE2 LYS 35 HE2 LYS 35 15.099 -11.129 -19.927 106 HE3 LYS 35 HE1 LYS 35 16.152 -12.526 -20.171 107 HZ1 LYS 35 HZ1 LYS 35 14.243 -13.820 -20.819 108 HZ2 LYS 35 HZ2 LYS 35 14.304 -12.413 -21.753 109 HZ3 LYS 35 HZ3 LYS 35 13.196 -12.539 -20.481 110 HA PRO 36 HA PRO 36 12.449 -9.971 -13.241 111 HB2 PRO 36 HB2 PRO 36 11.707 -12.542 -12.700 112 HB3 PRO 36 HB1 PRO 36 10.685 -11.459 -13.661 113 HG2 PRO 36 HG2 PRO 36 12.677 -13.527 -14.630 114 HG3 PRO 36 HG1 PRO 36 10.978 -13.312 -15.117 115 HD2 PRO 36 HD2 PRO 36 12.947 -12.302 -16.623 116 HD3 PRO 36 HD1 PRO 36 11.448 -11.377 -16.378 117 H TYR 37 HN TYR 37 13.491 -10.382 -11.277 118 HA TYR 37 HA TYR 37 16.100 -11.690 -11.354 119 HB2 TYR 37 HB2 TYR 37 16.463 -10.765 -9.123 120 HB3 TYR 37 HB1 TYR 37 15.864 -9.503 -10.184 121 HD1 TYR 37 HD1 TYR 37 13.413 -8.781 -9.958 122 HD2 TYR 37 HD2 TYR 37 15.302 -11.297 -7.063 123 HE1 TYR 37 HE1 TYR 37 11.673 -8.209 -8.316 124 HE2 TYR 37 HE2 TYR 37 13.555 -10.725 -5.434 125 HH TYR 37 HH TYR 37 11.969 -8.866 -5.031 126 H ASP 38 HN ASP 38 12.897 -12.447 -10.520 127 HA ASP 38 HA ASP 38 13.477 -15.122 -9.656 128 HB2 ASP 38 HB2 ASP 38 13.850 -13.767 -7.546 129 HB3 ASP 38 HB1 ASP 38 12.200 -13.178 -7.662 130 H ARG 39 HN ARG 39 11.329 -16.267 -9.183 131 HA ARG 39 HA ARG 39 8.939 -15.000 -10.393 132 HB2 ARG 39 HB2 ARG 39 9.927 -17.862 -10.817 133 HB3 ARG 39 HB1 ARG 39 8.378 -17.236 -11.385 134 HG2 ARG 39 HG2 ARG 39 9.463 -15.751 -12.933 135 HG3 ARG 39 HG1 ARG 39 11.052 -16.088 -12.254 136 HD2 ARG 39 HD2 ARG 39 9.312 -18.143 -13.652 137 HD3 ARG 39 HD1 ARG 39 10.606 -17.221 -14.430 138 HE ARG 39 HE ARG 39 11.723 -18.436 -12.187 139 HH11 ARG 39 HH11 ARG 39 10.222 -19.513 -15.188 140 HH12 ARG 39 HH12 ARG 39 11.227 -20.924 -15.298 141 HH21 ARG 39 HH21 ARG 39 13.024 -20.266 -12.377 142 HH22 ARG 39 HH22 ARG 39 12.810 -21.337 -13.728 143 H ILE 40 HN ILE 40 7.350 -14.970 -8.922 144 HA ILE 40 HA ILE 40 7.397 -16.802 -6.613 145 HB ILE 40 HB ILE 40 5.682 -15.297 -5.610 146 HG12 ILE 40 HG12 ILE 40 6.041 -13.596 -8.131 147 HG13 ILE 40 HG11 ILE 40 4.576 -14.455 -7.669 148 HG21 ILE 40 HG21 ILE 40 7.166 -13.371 -5.173 149 HG22 ILE 40 HG22 ILE 40 8.168 -13.815 -6.556 150 HG23 ILE 40 HG23 ILE 40 8.068 -14.888 -5.159 151 HD11 ILE 40 HD11 ILE 40 5.801 -12.129 -6.184 152 HD12 ILE 40 HD12 ILE 40 4.318 -12.978 -5.741 153 HD13 ILE 40 HD13 ILE 40 4.398 -12.074 -7.250 154 H VAL 41 HN VAL 41 5.735 -18.177 -6.147 155 HA VAL 41 HA VAL 41 3.513 -18.453 -8.083 156 HB VAL 41 HB VAL 41 5.059 -20.332 -8.402 157 HG11 VAL 41 HG11 VAL 41 5.556 -21.994 -6.639 158 HG12 VAL 41 HG12 VAL 41 4.710 -20.995 -5.454 159 HG13 VAL 41 HG13 VAL 41 6.180 -20.395 -6.220 160 HG21 VAL 41 HG21 VAL 41 2.527 -21.231 -6.972 161 HG22 VAL 41 HG22 VAL 41 3.494 -22.220 -8.071 162 HG23 VAL 41 HG23 VAL 41 2.657 -20.789 -8.676 163 H ILE 42 HN ILE 42 1.523 -18.454 -7.231 164 HA ILE 42 HA ILE 42 1.122 -18.881 -4.328 165 HB ILE 42 HB ILE 42 -0.669 -17.203 -4.296 166 HG12 ILE 42 HG12 ILE 42 0.053 -16.507 -7.187 167 HG13 ILE 42 HG11 ILE 42 -1.359 -17.446 -6.725 168 HG21 ILE 42 HG21 ILE 42 1.893 -16.010 -5.429 169 HG22 ILE 42 HG22 ILE 42 1.594 -16.411 -3.736 170 HG23 ILE 42 HG23 ILE 42 0.665 -15.128 -4.514 171 HD11 ILE 42 HD11 ILE 42 -1.936 -15.150 -7.212 172 HD12 ILE 42 HD12 ILE 42 -0.830 -14.580 -5.965 173 HD13 ILE 42 HD13 ILE 42 -2.253 -15.525 -5.519 174 H THR 43 HN THR 43 -0.871 -19.897 -3.787 175 HA THR 43 HA THR 43 -2.452 -21.088 -6.009 176 HB THR 43 HB THR 43 -2.959 -22.985 -4.395 177 HG1 THR 43 HG1 THR 43 -1.022 -23.004 -2.746 178 HG21 THR 43 HG21 THR 43 0.000 -22.665 -5.059 179 HG22 THR 43 HG22 THR 43 -1.231 -23.307 -6.151 180 HG23 THR 43 HG23 THR 43 -0.824 -24.182 -4.674 181 H GLY 44 HN GLY 44 -4.696 -21.243 -5.645 182 HA2 GLY 44 HA2 GLY 44 -5.966 -20.018 -3.346 183 HA3 GLY 44 HA1 GLY 44 -6.045 -19.060 -4.821 184 H ARG 45 HN ARG 45 -7.605 -21.390 -3.041 185 HA ARG 45 HA ARG 45 -9.030 -22.673 -5.236 186 HB2 ARG 45 HB2 ARG 45 -8.466 -24.004 -3.233 187 HB3 ARG 45 HB1 ARG 45 -9.387 -22.898 -2.221 188 HG2 ARG 45 HG2 ARG 45 -11.460 -23.560 -3.448 189 HG3 ARG 45 HG1 ARG 45 -10.512 -24.729 -4.375 190 HD2 ARG 45 HD2 ARG 45 -11.703 -25.817 -2.522 191 HD3 ARG 45 HD1 ARG 45 -9.959 -25.937 -2.285 192 HE ARG 45 HE ARG 45 -11.777 -24.092 -0.834 193 HH11 ARG 45 HH11 ARG 45 -8.716 -25.836 -0.926 194 HH12 ARG 45 HH12 ARG 45 -8.362 -25.518 0.742 195 HH21 ARG 45 HH21 ARG 45 -11.276 -23.681 1.344 196 HH22 ARG 45 HH22 ARG 45 -9.806 -24.307 2.022 197 H PHE 46 HN PHE 46 -10.689 -21.682 -6.168 198 HA PHE 46 HA PHE 46 -12.544 -20.508 -6.618 199 HB2 PHE 46 HB2 PHE 46 -13.518 -22.074 -4.946 200 HB3 PHE 46 HB1 PHE 46 -13.163 -20.929 -3.661 201 HD1 PHE 46 HD2 PHE 46 -15.173 -21.354 -6.793 202 HD2 PHE 46 HD1 PHE 46 -14.760 -19.240 -3.099 203 HE1 PHE 46 HE2 PHE 46 -17.376 -20.317 -7.131 204 HE2 PHE 46 HE1 PHE 46 -16.967 -18.205 -3.450 205 HZ PHE 46 HZ PHE 46 -18.276 -18.747 -5.464 206 H ASN 47 HN ASN 47 -11.328 -18.637 -7.118 207 HA ASN 47 HA ASN 47 -11.986 -16.308 -5.530 208 HB2 ASN 47 HB2 ASN 47 -9.725 -15.485 -5.199 209 HB3 ASN 47 HB1 ASN 47 -9.819 -17.101 -4.512 210 HD21 ASN 47 HD21 ASN 47 -8.907 -18.866 -5.777 211 HD22 ASN 47 HD22 ASN 47 -7.570 -18.557 -6.828 212 H ALA 48 HN ALA 48 -11.623 -14.341 -6.676 213 HA ALA 48 HA ALA 48 -12.068 -14.503 -9.511 214 HB1 ALA 48 HB1 ALA 48 -11.624 -12.083 -7.716 215 HB2 ALA 48 HB2 ALA 48 -13.187 -12.804 -8.106 216 HB3 ALA 48 HB3 ALA 48 -12.229 -12.044 -9.377 217 H ILE 49 HN ILE 49 -10.715 -13.586 -11.150 218 HA ILE 49 HA ILE 49 -7.950 -14.030 -10.965 219 HB ILE 49 HB ILE 49 -8.962 -14.090 -13.151 220 HG12 ILE 49 HG12 ILE 49 -7.458 -12.605 -14.501 221 HG13 ILE 49 HG11 ILE 49 -7.062 -11.691 -13.054 222 HG21 ILE 49 HG21 ILE 49 -9.904 -12.125 -14.308 223 HG22 ILE 49 HG22 ILE 49 -9.681 -11.162 -12.845 224 HG23 ILE 49 HG23 ILE 49 -10.801 -12.527 -12.840 225 HD11 ILE 49 HD11 ILE 49 -5.975 -13.680 -12.109 226 HD12 ILE 49 HD12 ILE 49 -5.287 -13.221 -13.666 227 HD13 ILE 49 HD13 ILE 49 -6.392 -14.589 -13.566 228 H GLY 50 HN GLY 50 -9.838 -11.015 -10.645 229 HA2 GLY 50 HA2 GLY 50 -7.687 -9.210 -10.281 230 HA3 GLY 50 HA1 GLY 50 -9.337 -8.967 -9.731 231 H ASP 51 HN ASP 51 -9.326 -11.355 -8.040 232 HA ASP 51 HA ASP 51 -8.262 -10.264 -5.599 233 HB2 ASP 51 HB2 ASP 51 -10.372 -11.561 -5.649 234 HB3 ASP 51 HB1 ASP 51 -9.499 -12.991 -6.184 235 H ALA 52 HN ALA 52 -7.348 -12.853 -7.828 236 HA ALA 52 HA ALA 52 -5.119 -13.877 -6.374 237 HB1 ALA 52 HB1 ALA 52 -5.691 -13.988 -9.352 238 HB2 ALA 52 HB2 ALA 52 -6.225 -15.166 -8.154 239 HB3 ALA 52 HB3 ALA 52 -4.502 -14.978 -8.489 240 H VAL 53 HN VAL 53 -5.491 -11.379 -8.871 241 HA VAL 53 HA VAL 53 -2.744 -10.733 -9.157 242 HB VAL 53 HB VAL 53 -5.208 -9.050 -9.798 243 HG11 VAL 53 HG11 VAL 53 -3.714 -7.630 -11.187 244 HG12 VAL 53 HG12 VAL 53 -2.313 -8.534 -10.608 245 HG13 VAL 53 HG13 VAL 53 -3.259 -7.559 -9.483 246 HG21 VAL 53 HG21 VAL 53 -5.020 -11.134 -11.129 247 HG22 VAL 53 HG22 VAL 53 -3.392 -10.676 -11.627 248 HG23 VAL 53 HG23 VAL 53 -4.776 -9.710 -12.143 249 H SER 54 HN SER 54 -5.280 -9.628 -6.971 250 HA SER 54 HA SER 54 -3.876 -7.541 -5.655 251 HB2 SER 54 HB2 SER 54 -6.311 -7.785 -5.447 252 HB3 SER 54 HB1 SER 54 -6.124 -9.349 -4.658 253 HG SER 54 HG SER 54 -5.567 -6.767 -3.668 254 H ALA 55 HN ALA 55 -4.060 -11.041 -5.110 255 HA ALA 55 HA ALA 55 -2.604 -11.128 -2.659 256 HB1 ALA 55 HB1 ALA 55 -2.462 -13.557 -3.060 257 HB2 ALA 55 HB2 ALA 55 -3.037 -13.317 -4.715 258 HB3 ALA 55 HB3 ALA 55 -4.093 -12.951 -3.353 259 H VAL 56 HN VAL 56 -1.681 -11.455 -6.064 260 HA VAL 56 HA VAL 56 1.021 -12.291 -5.441 261 HB VAL 56 HB VAL 56 -0.369 -13.186 -7.381 262 HG11 VAL 56 HG11 VAL 56 -1.231 -11.097 -8.266 263 HG12 VAL 56 HG12 VAL 56 -0.365 -11.996 -9.510 264 HG13 VAL 56 HG13 VAL 56 0.393 -10.601 -8.738 265 HG21 VAL 56 HG21 VAL 56 2.032 -13.660 -7.174 266 HG22 VAL 56 HG22 VAL 56 2.410 -12.186 -8.068 267 HG23 VAL 56 HG23 VAL 56 1.553 -13.505 -8.866 268 H SER 57 HN SER 57 -0.574 -9.271 -6.346 269 HA SER 57 HA SER 57 1.778 -7.768 -7.007 270 HB2 SER 57 HB2 SER 57 0.316 -5.749 -6.606 271 HB3 SER 57 HB1 SER 57 -0.415 -6.927 -7.697 272 HG SER 57 HG SER 57 -2.013 -7.037 -6.374 273 H ARG 58 HN ARG 58 -0.136 -8.218 -4.055 274 HA ARG 58 HA ARG 58 1.508 -6.754 -2.277 275 HB2 ARG 58 HB2 ARG 58 -0.763 -7.339 -1.614 276 HB3 ARG 58 HB1 ARG 58 -0.421 -9.056 -1.773 277 HG2 ARG 58 HG2 ARG 58 -0.486 -8.419 0.585 278 HG3 ARG 58 HG1 ARG 58 1.135 -8.948 0.136 279 HD2 ARG 58 HD2 ARG 58 1.685 -6.452 -0.176 280 HD3 ARG 58 HD1 ARG 58 0.159 -6.128 0.657 281 HE ARG 58 HE ARG 58 2.362 -7.715 1.851 282 HH11 ARG 58 HH11 ARG 58 -0.118 -5.257 2.208 283 HH12 ARG 58 HH12 ARG 58 0.345 -4.862 3.828 284 HH21 ARG 58 HH21 ARG 58 2.980 -7.179 3.943 285 HH22 ARG 58 HH22 ARG 58 2.107 -5.957 4.819 286 H ARG 59 HN ARG 59 1.495 -10.186 -3.249 287 HA ARG 59 HA ARG 59 3.520 -11.118 -1.514 288 HB2 ARG 59 HB2 ARG 59 2.010 -12.664 -2.699 289 HB3 ARG 59 HB1 ARG 59 2.685 -12.182 -4.246 290 HG2 ARG 59 HG2 ARG 59 3.565 -14.354 -3.629 291 HG3 ARG 59 HG1 ARG 59 4.871 -13.172 -3.596 292 HD2 ARG 59 HD2 ARG 59 5.149 -14.575 -1.683 293 HD3 ARG 59 HD1 ARG 59 4.553 -13.027 -1.085 294 HE ARG 59 HE ARG 59 2.307 -14.587 -1.440 295 HH11 ARG 59 HH11 ARG 59 5.220 -14.831 0.526 296 HH12 ARG 59 HH12 ARG 59 4.445 -15.773 1.757 297 HH21 ARG 59 HH21 ARG 59 1.324 -15.836 0.190 298 HH22 ARG 59 HH22 ARG 59 2.248 -16.352 1.560 299 H ALA 60 HN ALA 60 3.644 -9.604 -4.696 300 HA ALA 60 HA ALA 60 6.460 -9.919 -5.140 301 HB1 ALA 60 HB1 ALA 60 6.118 -8.308 -6.985 302 HB2 ALA 60 HB2 ALA 60 4.475 -8.007 -6.407 303 HB3 ALA 60 HB3 ALA 60 4.921 -9.604 -7.013 304 H ASP 61 HN ASP 61 4.410 -7.462 -3.607 305 HA ASP 61 HA ASP 61 6.407 -5.469 -3.209 306 HB2 ASP 61 HB2 ASP 61 3.956 -5.012 -3.015 307 HB3 ASP 61 HB1 ASP 61 3.900 -5.996 -1.560 308 H GLU 62 HN GLU 62 5.381 -8.283 -1.345 309 HA GLU 62 HA GLU 62 6.949 -7.999 0.981 310 HB2 GLU 62 HB2 GLU 62 6.131 -10.540 -0.507 311 HB3 GLU 62 HB1 GLU 62 6.752 -10.493 1.140 312 HG2 GLU 62 HG2 GLU 62 4.170 -9.166 0.247 313 HG3 GLU 62 HG1 GLU 62 4.270 -10.779 0.953 314 H GLU 63 HN GLU 63 7.665 -9.224 -2.235 315 HA GLU 63 HA GLU 63 10.320 -10.177 -1.648 316 HB2 GLU 63 HB2 GLU 63 8.984 -9.659 -4.338 317 HB3 GLU 63 HB1 GLU 63 10.470 -10.574 -4.076 318 HG2 GLU 63 HG2 GLU 63 7.662 -11.322 -3.238 319 HG3 GLU 63 HG1 GLU 63 8.678 -12.128 -4.422 320 H GLY 64 HN GLY 64 9.012 -7.092 -2.244 321 HA2 GLY 64 HA2 GLY 64 9.970 -5.023 -2.490 322 HA3 GLY 64 HA1 GLY 64 11.559 -5.770 -2.367 323 H ALA 65 HN ALA 65 9.012 -6.515 -4.659 324 HA ALA 65 HA ALA 65 10.766 -6.005 -6.951 325 HB1 ALA 65 HB1 ALA 65 9.091 -7.254 -8.243 326 HB2 ALA 65 HB2 ALA 65 8.047 -7.366 -6.821 327 HB3 ALA 65 HB3 ALA 65 9.611 -8.182 -6.835 328 H ALA 66 HN ALA 66 10.558 -4.219 -8.137 329 HA ALA 66 HA ALA 66 8.728 -2.111 -7.674 330 HB1 ALA 66 HB1 ALA 66 10.440 -2.683 -10.126 331 HB2 ALA 66 HB2 ALA 66 10.929 -1.752 -8.707 332 HB3 ALA 66 HB3 ALA 66 9.655 -1.139 -9.760 333 H SER 67 HN SER 67 8.769 -4.816 -9.890 334 HA SER 67 HA SER 67 6.004 -4.321 -10.727 335 HB2 SER 67 HB2 SER 67 8.295 -4.866 -12.685 336 HB3 SER 67 HB1 SER 67 6.587 -4.710 -13.108 337 HG SER 67 HG SER 67 6.987 -2.521 -11.898 338 H PHE 68 HN PHE 68 5.094 -6.216 -11.835 339 HA PHE 68 HA PHE 68 6.537 -8.749 -11.750 340 HB2 PHE 68 HB2 PHE 68 4.902 -9.988 -10.513 341 HB3 PHE 68 HB1 PHE 68 5.193 -8.554 -9.543 342 HD1 PHE 68 HD2 PHE 68 3.452 -6.704 -9.521 343 HD2 PHE 68 HD1 PHE 68 2.708 -10.481 -11.392 344 HE1 PHE 68 HE2 PHE 68 1.034 -6.247 -9.516 345 HE2 PHE 68 HE1 PHE 68 0.300 -10.004 -11.389 346 HZ PHE 68 HZ PHE 68 -0.540 -7.899 -10.446 347 H TYR 69 HN TYR 69 5.177 -10.432 -12.956 348 HA TYR 69 HA TYR 69 3.125 -9.389 -14.744 349 HB2 TYR 69 HB2 TYR 69 5.271 -8.950 -15.953 350 HB3 TYR 69 HB1 TYR 69 5.717 -10.643 -15.802 351 HD1 TYR 69 HD1 TYR 69 3.537 -8.241 -17.563 352 HD2 TYR 69 HD2 TYR 69 4.639 -12.352 -17.247 353 HE1 TYR 69 HE1 TYR 69 2.405 -8.708 -19.686 354 HE2 TYR 69 HE2 TYR 69 3.510 -12.822 -19.379 355 HH TYR 69 HH TYR 69 1.633 -11.791 -20.724 356 H VAL 70 HN VAL 70 1.563 -10.924 -14.853 357 HA VAL 70 HA VAL 70 1.913 -13.549 -13.736 358 HB VAL 70 HB VAL 70 -0.424 -12.416 -15.357 359 HG11 VAL 70 HG11 VAL 70 -0.315 -14.935 -13.645 360 HG12 VAL 70 HG12 VAL 70 -0.455 -14.876 -15.403 361 HG13 VAL 70 HG13 VAL 70 -1.768 -14.269 -14.396 362 HG21 VAL 70 HG21 VAL 70 -1.537 -12.084 -13.158 363 HG22 VAL 70 HG22 VAL 70 -0.052 -11.138 -13.285 364 HG23 VAL 70 HG23 VAL 70 -0.071 -12.627 -12.336 365 H VAL 71 HN VAL 71 3.337 -14.783 -14.823 366 HA VAL 71 HA VAL 71 3.561 -14.736 -17.732 367 HB VAL 71 HB VAL 71 5.589 -14.631 -16.292 368 HG11 VAL 71 HG11 VAL 71 4.941 -17.468 -15.438 369 HG12 VAL 71 HG12 VAL 71 4.889 -16.030 -14.415 370 HG13 VAL 71 HG13 VAL 71 6.430 -16.593 -15.067 371 HG21 VAL 71 HG21 VAL 71 5.850 -15.464 -18.589 372 HG22 VAL 71 HG22 VAL 71 5.539 -17.116 -18.050 373 HG23 VAL 71 HG23 VAL 71 6.990 -16.269 -17.508 374 H ASP 72 HN ASP 72 1.973 -16.593 -15.322 375 HA ASP 72 HA ASP 72 0.887 -18.445 -17.222 376 HB2 ASP 72 HB2 ASP 72 3.080 -19.527 -16.746 377 HB3 ASP 72 HB1 ASP 72 2.716 -19.524 -15.029 378 H THR 73 HN THR 73 -0.960 -19.463 -16.455 379 HA THR 73 HA THR 73 -1.618 -19.532 -13.599 380 HB THR 73 HB THR 73 -4.088 -19.040 -14.245 381 HG1 THR 73 HG1 THR 73 -4.505 -18.240 -16.189 382 HG21 THR 73 HG21 THR 73 -3.856 -16.585 -14.103 383 HG22 THR 73 HG22 THR 73 -2.133 -16.727 -14.453 384 HG23 THR 73 HG23 THR 73 -2.780 -17.394 -12.954 385 H SER 74 HN SER 74 -1.774 -21.649 -13.235 386 HA SER 74 HA SER 74 -3.342 -23.403 -15.017 387 HB2 SER 74 HB2 SER 74 -0.618 -24.120 -13.812 388 HB3 SER 74 HB1 SER 74 -1.652 -25.213 -14.732 389 HG SER 74 HG SER 74 -0.479 -22.816 -15.709 390 H GLU 75 HN GLU 75 -4.335 -25.185 -13.847 391 HA GLU 75 HA GLU 75 -5.182 -24.563 -11.231 392 HB2 GLU 75 HB2 GLU 75 -6.366 -26.733 -11.268 393 HB3 GLU 75 HB1 GLU 75 -6.596 -25.853 -12.775 394 HG2 GLU 75 HG2 GLU 75 -4.907 -27.274 -13.880 395 HG3 GLU 75 HG1 GLU 75 -4.651 -28.151 -12.374 396 H PHE 76 HN PHE 76 -4.722 -25.557 -9.215 397 HA PHE 76 HA PHE 76 -2.082 -26.370 -8.680 398 HB2 PHE 76 HB2 PHE 76 -3.444 -25.371 -6.917 399 HB3 PHE 76 HB1 PHE 76 -4.608 -26.692 -6.998 400 HD1 PHE 76 HD2 PHE 76 -0.944 -26.093 -6.365 401 HD2 PHE 76 HD1 PHE 76 -4.379 -28.473 -5.433 402 HE1 PHE 76 HE2 PHE 76 0.366 -27.343 -4.705 403 HE2 PHE 76 HE1 PHE 76 -3.048 -29.727 -3.778 404 HZ PHE 76 HZ PHE 76 -0.676 -29.159 -3.413 405 H GLY 77 HN GLY 77 -4.988 -28.218 -9.434 406 HA2 GLY 77 HA2 GLY 77 -3.891 -30.505 -10.413 407 HA3 GLY 77 HA1 GLY 77 -3.911 -30.803 -8.679 408 H ASN 78 HN ASN 78 -6.460 -28.874 -9.011 409 HA ASN 78 HA ASN 78 -8.398 -30.824 -10.066 410 HB2 ASN 78 HB2 ASN 78 -8.840 -29.434 -7.363 411 HB3 ASN 78 HB1 ASN 78 -9.915 -30.591 -8.145 412 HD21 ASN 78 HD21 ASN 78 -7.073 -30.176 -6.209 413 HD22 ASN 78 HD22 ASN 78 -6.799 -31.844 -5.861 414 H SER 79 HN SER 79 -10.243 -29.832 -10.924 415 HA SER 79 HA SER 79 -10.092 -27.092 -11.705 416 HB2 SER 79 HB2 SER 79 -12.428 -27.531 -12.589 417 HB3 SER 79 HB1 SER 79 -11.202 -28.649 -13.179 418 HG SER 79 HG SER 79 -13.004 -29.138 -11.037 419 H GLY 80 HN GLY 80 -10.257 -25.570 -10.173 420 HA2 GLY 80 HA2 GLY 80 -12.243 -24.406 -8.972 421 HA3 GLY 80 HA1 GLY 80 -12.148 -25.814 -7.915 422 H ASN 81 HN ASN 81 -9.361 -26.167 -7.953 423 HA ASN 81 HA ASN 81 -8.402 -23.744 -6.525 424 HB2 ASN 81 HB2 ASN 81 -6.561 -25.293 -5.605 425 HB3 ASN 81 HB1 ASN 81 -8.179 -25.457 -4.951 426 HD21 ASN 81 HD21 ASN 81 -6.727 -26.949 -7.895 427 HD22 ASN 81 HD22 ASN 81 -6.976 -28.555 -7.368 428 H TRP 82 HN TRP 82 -7.234 -22.445 -7.723 429 HA TRP 82 HA TRP 82 -5.499 -23.580 -9.831 430 HB2 TRP 82 HB2 TRP 82 -5.972 -21.655 -11.263 431 HB3 TRP 82 HB1 TRP 82 -7.442 -22.533 -10.889 432 HD1 TRP 82 HD1 TRP 82 -8.901 -21.278 -8.689 433 HE1 TRP 82 HE1 TRP 82 -9.454 -18.769 -8.515 434 HE3 TRP 82 HE3 TRP 82 -5.310 -19.426 -11.816 435 HZ2 TRP 82 HZ2 TRP 82 -8.508 -16.336 -9.556 436 HZ3 TRP 82 HZ3 TRP 82 -5.200 -16.995 -12.176 437 HH2 TRP 82 HH2 TRP 82 -6.767 -15.484 -11.068 438 H ARG 83 HN ARG 83 -3.804 -22.084 -10.505 439 HA ARG 83 HA ARG 83 -2.447 -20.912 -8.174 440 HB2 ARG 83 HB2 ARG 83 -1.719 -23.131 -7.968 441 HB3 ARG 83 HB1 ARG 83 -1.796 -23.458 -9.685 442 HG2 ARG 83 HG2 ARG 83 0.350 -21.609 -8.653 443 HG3 ARG 83 HG1 ARG 83 0.516 -23.347 -8.397 444 HD2 ARG 83 HD2 ARG 83 0.151 -23.622 -10.919 445 HD3 ARG 83 HD1 ARG 83 0.336 -21.866 -11.041 446 HE ARG 83 HE ARG 83 2.590 -22.110 -10.166 447 HH11 ARG 83 HH11 ARG 83 1.125 -25.106 -11.284 448 HH12 ARG 83 HH12 ARG 83 2.653 -25.858 -11.607 449 HH21 ARG 83 HH21 ARG 83 4.577 -23.112 -10.620 450 HH22 ARG 83 HH22 ARG 83 4.597 -24.734 -11.235 451 H VAL 84 HN VAL 84 -1.250 -19.197 -8.693 452 HA VAL 84 HA VAL 84 -0.974 -18.408 -11.533 453 HB VAL 84 HB VAL 84 -0.862 -16.604 -9.064 454 HG11 VAL 84 HG11 VAL 84 -1.066 -14.730 -10.669 455 HG12 VAL 84 HG12 VAL 84 -1.033 -15.879 -12.009 456 HG13 VAL 84 HG13 VAL 84 0.385 -15.690 -10.979 457 HG21 VAL 84 HG21 VAL 84 -3.192 -17.029 -10.974 458 HG22 VAL 84 HG22 VAL 84 -3.132 -15.829 -9.680 459 HG23 VAL 84 HG23 VAL 84 -3.123 -17.550 -9.289 460 H VAL 85 HN VAL 85 1.050 -18.550 -12.344 461 HA VAL 85 HA VAL 85 3.397 -18.110 -10.603 462 HB VAL 85 HB VAL 85 3.430 -18.846 -13.565 463 HG11 VAL 85 HG11 VAL 85 5.524 -17.862 -12.724 464 HG12 VAL 85 HG12 VAL 85 5.754 -19.563 -13.129 465 HG13 VAL 85 HG13 VAL 85 5.598 -19.074 -11.440 466 HG21 VAL 85 HG21 VAL 85 2.244 -20.634 -12.389 467 HG22 VAL 85 HG22 VAL 85 3.553 -20.767 -11.212 468 HG23 VAL 85 HG23 VAL 85 3.836 -21.195 -12.901 469 H ALA 86 HN ALA 86 4.090 -16.046 -10.497 470 HA ALA 86 HA ALA 86 3.866 -14.294 -12.867 471 HB1 ALA 86 HB1 ALA 86 3.375 -12.384 -11.419 472 HB2 ALA 86 HB2 ALA 86 3.396 -13.426 -9.993 473 HB3 ALA 86 HB3 ALA 86 2.144 -13.633 -11.220 474 H ASP 87 HN ASP 87 5.803 -13.660 -13.506 475 HA ASP 87 HA ASP 87 8.135 -13.975 -11.794 476 HB2 ASP 87 HB2 ASP 87 9.438 -13.597 -13.807 477 HB3 ASP 87 HB1 ASP 87 8.186 -14.766 -14.147 478 H VAL 88 HN VAL 88 9.424 -12.276 -11.066 479 HA VAL 88 HA VAL 88 7.987 -9.687 -10.877 480 HB VAL 88 HB VAL 88 9.002 -9.497 -8.565 481 HG11 VAL 88 HG11 VAL 88 7.177 -11.887 -9.016 482 HG12 VAL 88 HG12 VAL 88 6.678 -10.201 -8.845 483 HG13 VAL 88 HG13 VAL 88 7.407 -11.043 -7.479 484 HG21 VAL 88 HG21 VAL 88 10.885 -11.091 -8.809 485 HG22 VAL 88 HG22 VAL 88 9.747 -12.434 -8.927 486 HG23 VAL 88 HG23 VAL 88 9.872 -11.511 -7.425 487 H TYR 89 HN TYR 89 9.047 -7.847 -11.196 488 HA TYR 89 HA TYR 89 11.813 -7.966 -12.235 489 HB2 TYR 89 HB2 TYR 89 9.484 -6.122 -12.948 490 HB3 TYR 89 HB1 TYR 89 11.110 -5.961 -13.601 491 HD1 TYR 89 HD1 TYR 89 8.124 -8.221 -13.517 492 HD2 TYR 89 HD2 TYR 89 11.793 -7.249 -15.483 493 HE1 TYR 89 HE1 TYR 89 7.533 -9.719 -15.386 494 HE2 TYR 89 HE2 TYR 89 11.188 -8.721 -17.343 495 HH TYR 89 HH TYR 89 9.572 -10.912 -17.463 496 H LYS 90 HN LYS 90 13.084 -6.041 -12.032 497 HA LYS 90 HA LYS 90 12.465 -4.235 -9.769 498 HB2 LYS 90 HB2 LYS 90 15.152 -4.870 -11.085 499 HB3 LYS 90 HB1 LYS 90 14.920 -3.772 -9.725 500 HG2 LYS 90 HG2 LYS 90 14.306 -6.751 -9.655 501 HG3 LYS 90 HG1 LYS 90 15.822 -6.036 -9.098 502 HD2 LYS 90 HD2 LYS 90 13.079 -5.343 -7.950 503 HD3 LYS 90 HD1 LYS 90 14.158 -6.560 -7.265 504 HE2 LYS 90 HE2 LYS 90 15.880 -4.800 -6.900 505 HE3 LYS 90 HE1 LYS 90 14.764 -3.596 -7.547 506 HZ1 LYS 90 HZ1 LYS 90 13.251 -4.063 -5.739 507 HZ2 LYS 90 HZ2 LYS 90 14.772 -3.640 -5.132 508 HZ3 LYS 90 HZ3 LYS 90 14.283 -5.259 -5.136 509 H ALA 91 HN ALA 91 13.270 -1.962 -10.146 510 HA ALA 91 HA ALA 91 12.459 -1.013 -12.799 511 HB1 ALA 91 HB1 ALA 91 11.398 -0.006 -10.811 512 HB2 ALA 91 HB2 ALA 91 12.310 1.200 -11.723 513 HB3 ALA 91 HB3 ALA 91 12.974 0.533 -10.229 Start of MODEL 14 1 H HIS 21 HT1 HIS 21 4.586 -0.117 -2.384 2 HA HIS 21 HA HIS 21 2.813 -1.597 -0.547 3 HB2 HIS 21 HB2 HIS 21 2.641 1.278 -1.561 4 HB3 HIS 21 HB1 HIS 21 1.383 0.462 -0.635 5 HD1 HIS 21 HD1 HIS 21 4.774 2.048 -0.279 6 HD2 HIS 21 HD2 HIS 21 1.922 0.192 2.124 7 HE1 HIS 21 HE1 HIS 21 5.496 2.468 2.091 8 HE2 HIS 21 HE2 HIS 21 3.851 1.205 3.511 9 H ALA 22 HN ALA 22 2.310 -3.200 -1.958 10 HA ALA 22 HA ALA 22 1.419 -4.370 -3.641 11 HB1 ALA 22 HB1 ALA 22 -0.064 -1.831 -4.382 12 HB2 ALA 22 HB2 ALA 22 -0.602 -3.042 -3.221 13 HB3 ALA 22 HB3 ALA 22 -0.462 -3.464 -4.929 14 H ALA 23 HN ALA 23 2.874 -5.041 -5.086 15 HA ALA 23 HA ALA 23 4.548 -3.448 -6.704 16 HB1 ALA 23 HB1 ALA 23 5.129 -5.561 -7.846 17 HB2 ALA 23 HB2 ALA 23 3.749 -6.363 -7.085 18 HB3 ALA 23 HB3 ALA 23 5.083 -5.773 -6.095 19 H THR 24 HN THR 24 4.286 -2.589 -8.715 20 HA THR 24 HA THR 24 1.716 -2.314 -9.896 21 HB THR 24 HB THR 24 4.473 -1.647 -11.028 22 HG1 THR 24 HG1 THR 24 2.590 0.133 -9.843 23 HG21 THR 24 HG21 THR 24 2.809 -1.706 -12.845 24 HG22 THR 24 HG22 THR 24 3.284 -0.045 -12.498 25 HG23 THR 24 HG23 THR 24 1.735 -0.652 -11.913 26 H GLU 25 HN GLU 25 0.721 -3.524 -11.483 27 HA GLU 25 HA GLU 25 1.869 -5.944 -12.476 28 HB2 GLU 25 HB2 GLU 25 -0.587 -5.619 -12.245 29 HB3 GLU 25 HB1 GLU 25 -0.553 -4.390 -13.507 30 HG2 GLU 25 HG2 GLU 25 0.167 -6.086 -15.147 31 HG3 GLU 25 HG1 GLU 25 0.171 -7.319 -13.888 32 H LEU 26 HN LEU 26 3.426 -6.017 -13.941 33 HA LEU 26 HA LEU 26 4.037 -3.793 -15.697 34 HB2 LEU 26 HB2 LEU 26 5.784 -5.286 -14.468 35 HB3 LEU 26 HB1 LEU 26 5.428 -6.500 -15.684 36 HG LEU 26 HG LEU 26 6.087 -4.797 -17.458 37 HD11 LEU 26 HD11 LEU 26 7.118 -3.216 -15.077 38 HD12 LEU 26 HD12 LEU 26 5.788 -2.751 -16.143 39 HD13 LEU 26 HD13 LEU 26 7.425 -2.860 -16.779 40 HD21 LEU 26 HD21 LEU 26 7.631 -6.577 -16.783 41 HD22 LEU 26 HD22 LEU 26 8.259 -5.561 -15.483 42 HD23 LEU 26 HD23 LEU 26 8.498 -5.092 -17.170 43 H THR 27 HN THR 27 3.354 -3.671 -17.756 44 HA THR 27 HA THR 27 1.443 -5.460 -18.829 45 HB THR 27 HB THR 27 1.531 -4.036 -20.858 46 HG1 THR 27 HG1 THR 27 3.182 -2.128 -20.321 47 HG21 THR 27 HG21 THR 27 0.240 -3.167 -18.928 48 HG22 THR 27 HG22 THR 27 0.976 -1.856 -19.848 49 HG23 THR 27 HG23 THR 27 1.690 -2.361 -18.318 50 HA PRO 28 HA PRO 28 3.868 -8.670 -20.961 51 HB2 PRO 28 HB2 PRO 28 2.003 -7.923 -23.228 52 HB3 PRO 28 HB1 PRO 28 2.482 -9.532 -22.659 53 HG2 PRO 28 HG2 PRO 28 0.111 -8.512 -21.980 54 HG3 PRO 28 HG1 PRO 28 1.064 -9.434 -20.797 55 HD2 PRO 28 HD2 PRO 28 0.592 -6.480 -20.962 56 HD3 PRO 28 HD1 PRO 28 0.877 -7.500 -19.537 57 H GLU 29 HN GLU 29 3.229 -5.576 -22.539 58 HA GLU 29 HA GLU 29 5.151 -5.652 -24.607 59 HB2 GLU 29 HB2 GLU 29 3.268 -4.051 -24.551 60 HB3 GLU 29 HB1 GLU 29 3.930 -3.293 -23.109 61 HG2 GLU 29 HG2 GLU 29 5.862 -2.486 -24.394 62 HG3 GLU 29 HG1 GLU 29 5.258 -3.292 -25.841 63 H GLN 30 HN GLN 30 5.274 -4.079 -21.384 64 HA GLN 30 HA GLN 30 8.009 -3.280 -21.566 65 HB2 GLN 30 HB2 GLN 30 6.247 -3.588 -19.105 66 HB3 GLN 30 HB1 GLN 30 7.793 -2.738 -19.148 67 HG2 GLN 30 HG2 GLN 30 6.849 -1.083 -20.704 68 HG3 GLN 30 HG1 GLN 30 5.315 -1.956 -20.709 69 HE21 GLN 30 HE21 GLN 30 7.410 0.150 -18.875 70 HE22 GLN 30 HE22 GLN 30 6.277 0.537 -17.632 71 H ALA 31 HN ALA 31 6.389 -6.112 -20.312 72 HA ALA 31 HA ALA 31 8.547 -7.294 -18.879 73 HB1 ALA 31 HB1 ALA 31 7.128 -9.303 -18.825 74 HB2 ALA 31 HB2 ALA 31 6.052 -8.585 -20.030 75 HB3 ALA 31 HB3 ALA 31 6.193 -7.860 -18.428 76 H ALA 32 HN ALA 32 7.475 -7.414 -22.226 77 HA ALA 32 HA ALA 32 9.195 -9.555 -23.083 78 HB1 ALA 32 HB1 ALA 32 8.536 -8.892 -25.359 79 HB2 ALA 32 HB2 ALA 32 7.804 -7.414 -24.724 80 HB3 ALA 32 HB3 ALA 32 7.130 -8.985 -24.294 81 H ALA 33 HN ALA 33 9.568 -6.111 -22.636 82 HA ALA 33 HA ALA 33 12.053 -5.932 -24.190 83 HB1 ALA 33 HB1 ALA 33 10.586 -3.813 -22.572 84 HB2 ALA 33 HB2 ALA 33 10.430 -4.086 -24.308 85 HB3 ALA 33 HB3 ALA 33 11.966 -3.534 -23.641 86 H LEU 34 HN LEU 34 11.017 -6.280 -20.877 87 HA LEU 34 HA LEU 34 13.715 -5.753 -19.804 88 HB2 LEU 34 HB2 LEU 34 11.008 -6.024 -18.432 89 HB3 LEU 34 HB1 LEU 34 12.522 -5.869 -17.551 90 HG LEU 34 HG LEU 34 11.375 -3.762 -19.439 91 HD11 LEU 34 HD11 LEU 34 11.460 -3.781 -16.399 92 HD12 LEU 34 HD12 LEU 34 10.021 -3.948 -17.410 93 HD13 LEU 34 HD13 LEU 34 10.922 -2.436 -17.413 94 HD21 LEU 34 HD21 LEU 34 13.827 -3.706 -19.399 95 HD22 LEU 34 HD22 LEU 34 13.822 -3.638 -17.635 96 HD23 LEU 34 HD23 LEU 34 13.162 -2.297 -18.576 97 H LYS 35 HN LYS 35 14.575 -7.198 -18.224 98 HA LYS 35 HA LYS 35 13.853 -10.046 -18.537 99 HB2 LYS 35 HB2 LYS 35 16.158 -9.461 -19.291 100 HB3 LYS 35 HB1 LYS 35 16.508 -8.775 -17.712 101 HG2 LYS 35 HG2 LYS 35 17.529 -10.954 -17.829 102 HG3 LYS 35 HG1 LYS 35 16.182 -11.035 -16.691 103 HD2 LYS 35 HD2 LYS 35 14.770 -12.063 -18.491 104 HD3 LYS 35 HD1 LYS 35 16.168 -12.039 -19.571 105 HE2 LYS 35 HE2 LYS 35 15.953 -14.265 -18.653 106 HE3 LYS 35 HE1 LYS 35 17.374 -13.517 -17.920 107 HZ1 LYS 35 HZ1 LYS 35 15.997 -12.994 -15.965 108 HZ2 LYS 35 HZ2 LYS 35 16.073 -14.656 -16.263 109 HZ3 LYS 35 HZ3 LYS 35 14.685 -13.791 -16.682 110 HA PRO 36 HA PRO 36 12.866 -9.598 -14.070 111 HB2 PRO 36 HB2 PRO 36 11.786 -12.063 -13.687 112 HB3 PRO 36 HB1 PRO 36 10.899 -10.772 -14.511 113 HG2 PRO 36 HG2 PRO 36 12.424 -13.084 -15.699 114 HG3 PRO 36 HG1 PRO 36 10.821 -12.460 -16.143 115 HD2 PRO 36 HD2 PRO 36 13.108 -11.834 -17.527 116 HD3 PRO 36 HD1 PRO 36 11.710 -10.740 -17.428 117 H TYR 37 HN TYR 37 13.684 -10.621 -12.139 118 HA TYR 37 HA TYR 37 16.270 -11.969 -12.578 119 HB2 TYR 37 HB2 TYR 37 16.931 -11.135 -10.365 120 HB3 TYR 37 HB1 TYR 37 16.433 -9.822 -11.417 121 HD1 TYR 37 HD1 TYR 37 13.939 -8.956 -11.085 122 HD2 TYR 37 HD2 TYR 37 16.068 -11.243 -8.166 123 HE1 TYR 37 HE1 TYR 37 12.449 -8.111 -9.336 124 HE2 TYR 37 HE2 TYR 37 14.567 -10.388 -6.418 125 HH TYR 37 HH TYR 37 11.682 -8.940 -6.974 126 H ASP 38 HN ASP 38 13.278 -12.196 -10.715 127 HA ASP 38 HA ASP 38 13.654 -15.080 -10.365 128 HB2 ASP 38 HB2 ASP 38 13.316 -13.093 -8.083 129 HB3 ASP 38 HB1 ASP 38 12.704 -14.734 -7.914 130 H ARG 39 HN ARG 39 11.445 -15.761 -9.027 131 HA ARG 39 HA ARG 39 9.146 -14.143 -9.730 132 HB2 ARG 39 HB2 ARG 39 7.919 -16.204 -10.690 133 HB3 ARG 39 HB1 ARG 39 9.072 -15.372 -11.716 134 HG2 ARG 39 HG2 ARG 39 10.756 -17.161 -11.174 135 HG3 ARG 39 HG1 ARG 39 9.463 -18.035 -10.340 136 HD2 ARG 39 HD2 ARG 39 8.218 -18.326 -12.352 137 HD3 ARG 39 HD1 ARG 39 9.156 -17.105 -13.214 138 HE ARG 39 HE ARG 39 10.273 -19.724 -12.391 139 HH11 ARG 39 HH11 ARG 39 9.888 -17.175 -14.806 140 HH12 ARG 39 HH12 ARG 39 10.864 -17.995 -15.989 141 HH21 ARG 39 HH21 ARG 39 11.551 -20.772 -13.959 142 HH22 ARG 39 HH22 ARG 39 11.809 -20.030 -15.507 143 H ILE 40 HN ILE 40 7.095 -15.102 -8.845 144 HA ILE 40 HA ILE 40 7.573 -16.454 -6.239 145 HB ILE 40 HB ILE 40 5.619 -15.210 -5.325 146 HG12 ILE 40 HG12 ILE 40 5.663 -13.627 -7.942 147 HG13 ILE 40 HG11 ILE 40 4.416 -14.781 -7.477 148 HG21 ILE 40 HG21 ILE 40 6.706 -13.010 -5.069 149 HG22 ILE 40 HG22 ILE 40 7.777 -13.372 -6.425 150 HG23 ILE 40 HG23 ILE 40 7.879 -14.323 -4.943 151 HD11 ILE 40 HD11 ILE 40 5.054 -12.222 -6.019 152 HD12 ILE 40 HD12 ILE 40 3.764 -13.362 -5.623 153 HD13 ILE 40 HD13 ILE 40 3.725 -12.478 -7.142 154 H VAL 41 HN VAL 41 5.910 -17.830 -5.483 155 HA VAL 41 HA VAL 41 4.184 -19.050 -7.563 156 HB VAL 41 HB VAL 41 5.757 -20.469 -5.345 157 HG11 VAL 41 HG11 VAL 41 4.939 -22.586 -6.330 158 HG12 VAL 41 HG12 VAL 41 3.940 -21.676 -7.458 159 HG13 VAL 41 HG13 VAL 41 3.606 -21.598 -5.731 160 HG21 VAL 41 HG21 VAL 41 7.208 -19.738 -7.206 161 HG22 VAL 41 HG22 VAL 41 6.164 -20.564 -8.362 162 HG23 VAL 41 HG23 VAL 41 7.066 -21.497 -7.166 163 H ILE 42 HN ILE 42 2.132 -18.654 -7.035 164 HA ILE 42 HA ILE 42 1.131 -19.130 -4.286 165 HB ILE 42 HB ILE 42 -0.521 -17.272 -4.566 166 HG12 ILE 42 HG12 ILE 42 1.104 -16.401 -6.993 167 HG13 ILE 42 HG11 ILE 42 -0.422 -17.265 -7.107 168 HG21 ILE 42 HG21 ILE 42 0.981 -15.357 -4.140 169 HG22 ILE 42 HG22 ILE 42 2.351 -16.290 -4.743 170 HG23 ILE 42 HG23 ILE 42 1.517 -16.801 -3.275 171 HD11 ILE 42 HD11 ILE 42 -1.561 -15.408 -6.024 172 HD12 ILE 42 HD12 ILE 42 -0.705 -14.902 -7.480 173 HD13 ILE 42 HD13 ILE 42 -0.029 -14.541 -5.893 174 H THR 43 HN THR 43 -1.440 -19.267 -4.488 175 HA THR 43 HA THR 43 -2.279 -20.521 -7.045 176 HB THR 43 HB THR 43 -3.936 -21.868 -5.479 177 HG1 THR 43 HG1 THR 43 -1.797 -21.455 -3.634 178 HG21 THR 43 HG21 THR 43 -1.002 -22.657 -5.578 179 HG22 THR 43 HG22 THR 43 -2.204 -22.991 -6.824 180 HG23 THR 43 HG23 THR 43 -2.354 -23.741 -5.234 181 H GLY 44 HN GLY 44 -3.469 -18.936 -7.926 182 HA2 GLY 44 HA2 GLY 44 -5.354 -17.307 -6.390 183 HA3 GLY 44 HA1 GLY 44 -4.964 -17.153 -8.099 184 H ARG 45 HN ARG 45 -7.655 -17.256 -6.914 185 HA ARG 45 HA ARG 45 -8.626 -19.948 -7.679 186 HB2 ARG 45 HB2 ARG 45 -8.811 -19.331 -5.270 187 HB3 ARG 45 HB1 ARG 45 -9.818 -17.959 -5.714 188 HG2 ARG 45 HG2 ARG 45 -11.586 -19.444 -6.482 189 HG3 ARG 45 HG1 ARG 45 -10.555 -20.858 -6.231 190 HD2 ARG 45 HD2 ARG 45 -11.559 -18.979 -4.060 191 HD3 ARG 45 HD1 ARG 45 -12.187 -20.596 -4.394 192 HE ARG 45 HE ARG 45 -9.530 -19.943 -3.271 193 HH11 ARG 45 HH11 ARG 45 -12.033 -22.330 -3.886 194 HH12 ARG 45 HH12 ARG 45 -11.227 -23.579 -2.997 195 HH21 ARG 45 HH21 ARG 45 -8.480 -21.597 -2.114 196 HH22 ARG 45 HH22 ARG 45 -9.221 -23.162 -1.981 197 H PHE 46 HN PHE 46 -10.676 -20.107 -8.722 198 HA PHE 46 HA PHE 46 -10.953 -18.258 -10.890 199 HB2 PHE 46 HB2 PHE 46 -12.414 -19.848 -11.879 200 HB3 PHE 46 HB1 PHE 46 -11.249 -20.810 -10.984 201 HD1 PHE 46 HD1 PHE 46 -12.070 -21.332 -8.422 202 HD2 PHE 46 HD2 PHE 46 -14.642 -20.511 -11.739 203 HE1 PHE 46 HE1 PHE 46 -13.920 -22.502 -7.293 204 HE2 PHE 46 HE2 PHE 46 -16.479 -21.683 -10.601 205 HZ PHE 46 HZ PHE 46 -16.120 -22.681 -8.382 206 H ASN 47 HN ASN 47 -12.218 -18.113 -7.809 207 HA ASN 47 HA ASN 47 -14.843 -17.152 -8.149 208 HB2 ASN 47 HB2 ASN 47 -12.763 -16.625 -5.984 209 HB3 ASN 47 HB1 ASN 47 -14.392 -15.960 -5.905 210 HD21 ASN 47 HD21 ASN 47 -13.741 -19.229 -7.169 211 HD22 ASN 47 HD22 ASN 47 -14.466 -20.061 -5.846 212 H ALA 48 HN ALA 48 -11.725 -15.601 -8.499 213 HA ALA 48 HA ALA 48 -12.778 -13.624 -10.263 214 HB1 ALA 48 HB1 ALA 48 -13.331 -12.497 -8.136 215 HB2 ALA 48 HB2 ALA 48 -12.087 -11.613 -9.020 216 HB3 ALA 48 HB3 ALA 48 -11.645 -12.607 -7.628 217 H ILE 49 HN ILE 49 -11.192 -12.950 -11.643 218 HA ILE 49 HA ILE 49 -8.512 -13.853 -11.583 219 HB ILE 49 HB ILE 49 -9.496 -13.134 -13.709 220 HG12 ILE 49 HG12 ILE 49 -7.694 -11.632 -14.609 221 HG13 ILE 49 HG11 ILE 49 -7.181 -11.266 -12.965 222 HG21 ILE 49 HG21 ILE 49 -11.023 -11.401 -12.921 223 HG22 ILE 49 HG22 ILE 49 -10.029 -10.781 -14.240 224 HG23 ILE 49 HG23 ILE 49 -9.669 -10.325 -12.574 225 HD11 ILE 49 HD11 ILE 49 -7.076 -13.977 -14.297 226 HD12 ILE 49 HD12 ILE 49 -6.532 -13.612 -12.656 227 HD13 ILE 49 HD13 ILE 49 -5.718 -12.883 -14.039 228 H GLY 50 HN GLY 50 -10.115 -10.929 -10.390 229 HA2 GLY 50 HA2 GLY 50 -7.890 -9.401 -9.598 230 HA3 GLY 50 HA1 GLY 50 -9.509 -9.269 -8.936 231 H ASP 51 HN ASP 51 -9.477 -12.105 -8.005 232 HA ASP 51 HA ASP 51 -8.392 -11.875 -5.403 233 HB2 ASP 51 HB2 ASP 51 -10.154 -13.485 -5.798 234 HB3 ASP 51 HB1 ASP 51 -9.224 -14.300 -7.049 235 H ALA 52 HN ALA 52 -7.202 -13.579 -8.278 236 HA ALA 52 HA ALA 52 -4.748 -14.517 -7.220 237 HB1 ALA 52 HB1 ALA 52 -5.778 -15.481 -9.233 238 HB2 ALA 52 HB2 ALA 52 -4.129 -14.944 -9.561 239 HB3 ALA 52 HB3 ALA 52 -5.501 -13.974 -10.108 240 H VAL 53 HN VAL 53 -5.637 -11.583 -9.018 241 HA VAL 53 HA VAL 53 -3.014 -10.575 -9.391 242 HB VAL 53 HB VAL 53 -5.666 -9.077 -9.485 243 HG11 VAL 53 HG11 VAL 53 -4.452 -7.333 -10.779 244 HG12 VAL 53 HG12 VAL 53 -2.930 -8.178 -10.490 245 HG13 VAL 53 HG13 VAL 53 -3.820 -7.475 -9.137 246 HG21 VAL 53 HG21 VAL 53 -5.460 -9.326 -11.940 247 HG22 VAL 53 HG22 VAL 53 -5.506 -10.898 -11.142 248 HG23 VAL 53 HG23 VAL 53 -3.971 -10.252 -11.722 249 H SER 54 HN SER 54 -5.396 -10.115 -6.815 250 HA SER 54 HA SER 54 -4.045 -8.060 -5.382 251 HB2 SER 54 HB2 SER 54 -6.006 -10.168 -4.375 252 HB3 SER 54 HB1 SER 54 -5.486 -8.755 -3.455 253 HG SER 54 HG SER 54 -7.393 -8.958 -5.343 254 H ALA 55 HN ALA 55 -3.957 -11.593 -5.252 255 HA ALA 55 HA ALA 55 -2.305 -11.862 -2.955 256 HB1 ALA 55 HB1 ALA 55 -3.797 -13.650 -3.730 257 HB2 ALA 55 HB2 ALA 55 -2.132 -14.228 -3.638 258 HB3 ALA 55 HB3 ALA 55 -2.843 -13.826 -5.204 259 H VAL 56 HN VAL 56 -1.602 -11.809 -6.451 260 HA VAL 56 HA VAL 56 1.203 -12.413 -6.125 261 HB VAL 56 HB VAL 56 -0.003 -13.125 -8.167 262 HG11 VAL 56 HG11 VAL 56 -0.147 -10.191 -8.879 263 HG12 VAL 56 HG12 VAL 56 -1.505 -11.238 -8.468 264 HG13 VAL 56 HG13 VAL 56 -0.583 -11.534 -9.943 265 HG21 VAL 56 HG21 VAL 56 2.427 -12.906 -8.300 266 HG22 VAL 56 HG22 VAL 56 2.278 -11.209 -8.758 267 HG23 VAL 56 HG23 VAL 56 1.697 -12.472 -9.845 268 H SER 57 HN SER 57 -0.706 -9.452 -6.552 269 HA SER 57 HA SER 57 1.471 -7.652 -6.952 270 HB2 SER 57 HB2 SER 57 -0.848 -7.025 -7.534 271 HB3 SER 57 HB1 SER 57 -1.314 -7.095 -5.830 272 HG SER 57 HG SER 57 0.765 -5.409 -6.740 273 H ARG 58 HN ARG 58 -0.267 -8.810 -4.120 274 HA ARG 58 HA ARG 58 0.998 -7.259 -2.127 275 HB2 ARG 58 HB2 ARG 58 -1.124 -8.447 -1.717 276 HB3 ARG 58 HB1 ARG 58 -0.327 -9.998 -1.969 277 HG2 ARG 58 HG2 ARG 58 1.098 -9.518 0.046 278 HG3 ARG 58 HG1 ARG 58 0.130 -8.068 0.329 279 HD2 ARG 58 HD2 ARG 58 -1.848 -9.376 0.741 280 HD3 ARG 58 HD1 ARG 58 -1.068 -10.853 0.156 281 HE ARG 58 HE ARG 58 -0.109 -9.446 2.577 282 HH11 ARG 58 HH11 ARG 58 -1.261 -12.408 1.056 283 HH12 ARG 58 HH12 ARG 58 -0.961 -13.378 2.462 284 HH21 ARG 58 HH21 ARG 58 0.287 -10.746 4.388 285 HH22 ARG 58 HH22 ARG 58 -0.087 -12.438 4.341 286 H ARG 59 HN ARG 59 1.574 -10.628 -3.215 287 HA ARG 59 HA ARG 59 3.696 -11.107 -1.403 288 HB2 ARG 59 HB2 ARG 59 2.293 -12.919 -2.255 289 HB3 ARG 59 HB1 ARG 59 2.896 -12.666 -3.884 290 HG2 ARG 59 HG2 ARG 59 3.868 -14.656 -2.698 291 HG3 ARG 59 HG1 ARG 59 5.071 -13.522 -3.309 292 HD2 ARG 59 HD2 ARG 59 5.513 -14.468 -0.988 293 HD3 ARG 59 HD1 ARG 59 5.565 -12.709 -1.114 294 HE ARG 59 HE ARG 59 3.190 -12.804 -0.215 295 HH11 ARG 59 HH11 ARG 59 5.484 -15.305 0.645 296 HH12 ARG 59 HH12 ARG 59 4.848 -15.503 2.243 297 HH21 ARG 59 HH21 ARG 59 2.382 -13.036 1.885 298 HH22 ARG 59 HH22 ARG 59 3.077 -14.228 2.945 299 H ALA 60 HN ALA 60 3.714 -10.170 -4.858 300 HA ALA 60 HA ALA 60 6.503 -10.325 -5.305 301 HB1 ALA 60 HB1 ALA 60 6.129 -8.754 -7.180 302 HB2 ALA 60 HB2 ALA 60 4.512 -8.401 -6.561 303 HB3 ALA 60 HB3 ALA 60 4.896 -10.018 -7.145 304 H ASP 61 HN ASP 61 4.456 -7.739 -4.014 305 HA ASP 61 HA ASP 61 6.476 -5.773 -3.619 306 HB2 ASP 61 HB2 ASP 61 4.083 -5.205 -3.734 307 HB3 ASP 61 HB1 ASP 61 3.766 -6.144 -2.279 308 H GLU 62 HN GLU 62 5.216 -8.409 -1.587 309 HA GLU 62 HA GLU 62 6.587 -7.746 0.827 310 HB2 GLU 62 HB2 GLU 62 5.495 -10.414 -0.169 311 HB3 GLU 62 HB1 GLU 62 6.143 -10.172 1.453 312 HG2 GLU 62 HG2 GLU 62 4.378 -8.479 1.886 313 HG3 GLU 62 HG1 GLU 62 3.721 -8.760 0.279 314 H GLU 63 HN GLU 63 7.490 -9.530 -2.046 315 HA GLU 63 HA GLU 63 10.021 -10.507 -1.008 316 HB2 GLU 63 HB2 GLU 63 8.830 -10.546 -3.817 317 HB3 GLU 63 HB1 GLU 63 10.322 -11.365 -3.349 318 HG2 GLU 63 HG2 GLU 63 7.555 -11.959 -2.238 319 HG3 GLU 63 HG1 GLU 63 8.383 -12.895 -3.476 320 H GLY 64 HN GLY 64 8.944 -7.529 -2.124 321 HA2 GLY 64 HA2 GLY 64 10.128 -5.548 -2.251 322 HA3 GLY 64 HA1 GLY 64 11.633 -6.446 -2.166 323 H ALA 65 HN ALA 65 9.016 -6.867 -4.468 324 HA ALA 65 HA ALA 65 10.780 -6.121 -6.725 325 HB1 ALA 65 HB1 ALA 65 9.930 -8.433 -6.789 326 HB2 ALA 65 HB2 ALA 65 9.272 -7.478 -8.118 327 HB3 ALA 65 HB3 ALA 65 8.268 -7.839 -6.711 328 H ALA 66 HN ALA 66 10.234 -4.435 -7.978 329 HA ALA 66 HA ALA 66 8.214 -2.571 -7.157 330 HB1 ALA 66 HB1 ALA 66 9.069 -1.182 -9.009 331 HB2 ALA 66 HB2 ALA 66 10.024 -2.547 -9.600 332 HB3 ALA 66 HB3 ALA 66 10.391 -1.824 -8.033 333 H SER 67 HN SER 67 8.449 -5.069 -9.575 334 HA SER 67 HA SER 67 5.686 -4.621 -10.449 335 HB2 SER 67 HB2 SER 67 8.031 -4.859 -12.392 336 HB3 SER 67 HB1 SER 67 6.327 -4.806 -12.844 337 HG SER 67 HG SER 67 6.661 -2.715 -11.350 338 H PHE 68 HN PHE 68 4.894 -6.451 -11.806 339 HA PHE 68 HA PHE 68 6.353 -8.989 -11.676 340 HB2 PHE 68 HB2 PHE 68 4.511 -10.245 -10.679 341 HB3 PHE 68 HB1 PHE 68 4.941 -8.938 -9.587 342 HD1 PHE 68 HD1 PHE 68 2.336 -10.237 -11.872 343 HD2 PHE 68 HD2 PHE 68 3.364 -7.079 -9.171 344 HE1 PHE 68 HE1 PHE 68 -0.007 -9.495 -11.841 345 HE2 PHE 68 HE2 PHE 68 1.011 -6.356 -9.146 346 HZ PHE 68 HZ PHE 68 -0.673 -7.560 -10.477 347 H TYR 69 HN TYR 69 5.198 -10.668 -12.979 348 HA TYR 69 HA TYR 69 3.111 -9.923 -14.802 349 HB2 TYR 69 HB2 TYR 69 4.930 -8.947 -16.082 350 HB3 TYR 69 HB1 TYR 69 5.949 -10.359 -15.840 351 HD1 TYR 69 HD1 TYR 69 2.611 -9.447 -17.345 352 HD2 TYR 69 HD2 TYR 69 6.090 -11.917 -17.617 353 HE1 TYR 69 HE1 TYR 69 1.769 -10.409 -19.443 354 HE2 TYR 69 HE2 TYR 69 5.247 -12.873 -19.722 355 HH TYR 69 HH TYR 69 3.104 -13.211 -20.851 356 H VAL 70 HN VAL 70 1.891 -11.693 -14.985 357 HA VAL 70 HA VAL 70 2.669 -14.195 -13.854 358 HB VAL 70 HB VAL 70 0.182 -13.562 -15.514 359 HG11 VAL 70 HG11 VAL 70 0.571 -15.990 -15.374 360 HG12 VAL 70 HG12 VAL 70 -0.828 -15.541 -14.399 361 HG13 VAL 70 HG13 VAL 70 0.716 -15.889 -13.618 362 HG21 VAL 70 HG21 VAL 70 0.552 -13.485 -12.490 363 HG22 VAL 70 HG22 VAL 70 -0.974 -13.244 -13.346 364 HG23 VAL 70 HG23 VAL 70 0.341 -12.085 -13.547 365 H VAL 71 HN VAL 71 3.765 -15.792 -14.805 366 HA VAL 71 HA VAL 71 4.203 -15.734 -17.716 367 HB VAL 71 HB VAL 71 6.193 -15.802 -16.235 368 HG11 VAL 71 HG11 VAL 71 6.821 -17.818 -14.974 369 HG12 VAL 71 HG12 VAL 71 5.264 -18.556 -15.359 370 HG13 VAL 71 HG13 VAL 71 5.328 -17.106 -14.354 371 HG21 VAL 71 HG21 VAL 71 6.405 -16.689 -18.514 372 HG22 VAL 71 HG22 VAL 71 5.923 -18.294 -17.962 373 HG23 VAL 71 HG23 VAL 71 7.442 -17.587 -17.406 374 H ASP 72 HN ASP 72 2.661 -17.612 -15.200 375 HA ASP 72 HA ASP 72 1.442 -19.452 -17.065 376 HB2 ASP 72 HB2 ASP 72 3.671 -20.492 -16.798 377 HB3 ASP 72 HB1 ASP 72 3.515 -20.445 -15.064 378 H THR 73 HN THR 73 -0.317 -20.515 -16.208 379 HA THR 73 HA THR 73 -0.849 -20.457 -13.304 380 HB THR 73 HB THR 73 -3.329 -20.186 -13.867 381 HG1 THR 73 HG1 THR 73 -2.485 -20.437 -16.341 382 HG21 THR 73 HG21 THR 73 -1.559 -17.837 -14.647 383 HG22 THR 73 HG22 THR 73 -2.049 -18.253 -13.003 384 HG23 THR 73 HG23 THR 73 -3.257 -17.739 -14.181 385 H SER 74 HN SER 74 -0.495 -22.584 -12.844 386 HA SER 74 HA SER 74 -1.582 -24.725 -14.564 387 HB2 SER 74 HB2 SER 74 0.453 -24.811 -12.297 388 HB3 SER 74 HB1 SER 74 -0.139 -26.243 -13.139 389 HG SER 74 HG SER 74 0.835 -24.186 -14.725 390 H GLU 75 HN GLU 75 -3.678 -25.208 -14.026 391 HA GLU 75 HA GLU 75 -4.965 -24.787 -11.614 392 HB2 GLU 75 HB2 GLU 75 -6.717 -26.330 -12.339 393 HB3 GLU 75 HB1 GLU 75 -6.182 -25.334 -13.681 394 HG2 GLU 75 HG2 GLU 75 -5.396 -28.236 -13.229 395 HG3 GLU 75 HG1 GLU 75 -6.651 -27.679 -14.329 396 H PHE 76 HN PHE 76 -5.043 -25.754 -9.671 397 HA PHE 76 HA PHE 76 -3.078 -27.818 -9.041 398 HB2 PHE 76 HB2 PHE 76 -3.330 -25.564 -7.805 399 HB3 PHE 76 HB1 PHE 76 -4.797 -26.219 -7.101 400 HD1 PHE 76 HD2 PHE 76 -1.116 -26.777 -7.379 401 HD2 PHE 76 HD1 PHE 76 -4.666 -27.547 -5.121 402 HE1 PHE 76 HE2 PHE 76 0.236 -27.770 -5.580 403 HE2 PHE 76 HE1 PHE 76 -3.306 -28.537 -3.331 404 HZ PHE 76 HZ PHE 76 -0.854 -28.653 -3.555 405 H GLY 77 HN GLY 77 -3.786 -29.455 -7.299 406 HA2 GLY 77 HA2 GLY 77 -5.798 -31.136 -8.331 407 HA3 GLY 77 HA1 GLY 77 -4.978 -31.336 -6.794 408 H ASN 78 HN ASN 78 -6.000 -28.602 -5.922 409 HA ASN 78 HA ASN 78 -8.564 -29.449 -4.845 410 HB2 ASN 78 HB2 ASN 78 -7.126 -26.779 -4.507 411 HB3 ASN 78 HB1 ASN 78 -8.535 -27.309 -3.597 412 HD21 ASN 78 HD21 ASN 78 -7.356 -26.998 -1.655 413 HD22 ASN 78 HD22 ASN 78 -6.141 -28.115 -1.146 414 H SER 79 HN SER 79 -10.462 -27.889 -4.971 415 HA SER 79 HA SER 79 -11.177 -27.728 -7.727 416 HB2 SER 79 HB2 SER 79 -12.744 -26.885 -5.263 417 HB3 SER 79 HB1 SER 79 -13.412 -27.133 -6.878 418 HG SER 79 HG SER 79 -13.020 -28.929 -4.963 419 H GLY 80 HN GLY 80 -10.226 -26.099 -8.860 420 HA2 GLY 80 HA2 GLY 80 -10.627 -24.129 -9.980 421 HA3 GLY 80 HA1 GLY 80 -11.632 -23.583 -8.654 422 H ASN 81 HN ASN 81 -8.633 -24.517 -7.421 423 HA ASN 81 HA ASN 81 -7.594 -21.757 -7.528 424 HB2 ASN 81 HB2 ASN 81 -6.051 -22.406 -5.727 425 HB3 ASN 81 HB1 ASN 81 -7.697 -22.818 -5.269 426 HD21 ASN 81 HD21 ASN 81 -5.055 -23.879 -4.388 427 HD22 ASN 81 HD22 ASN 81 -5.168 -25.586 -4.611 428 H TRP 82 HN TRP 82 -6.402 -21.381 -9.232 429 HA TRP 82 HA TRP 82 -4.661 -23.419 -10.421 430 HB2 TRP 82 HB2 TRP 82 -4.536 -21.369 -12.233 431 HB3 TRP 82 HB1 TRP 82 -5.758 -22.627 -12.286 432 HD1 TRP 82 HD1 TRP 82 -8.240 -21.968 -11.249 433 HE1 TRP 82 HE1 TRP 82 -9.439 -19.707 -11.212 434 HE3 TRP 82 HE3 TRP 82 -4.259 -18.862 -12.078 435 HZ2 TRP 82 HZ2 TRP 82 -8.838 -16.986 -11.473 436 HZ3 TRP 82 HZ3 TRP 82 -4.661 -16.436 -12.169 437 HH2 TRP 82 HH2 TRP 82 -6.906 -15.514 -11.874 438 H ARG 83 HN ARG 83 -2.586 -23.344 -10.099 439 HA ARG 83 HA ARG 83 -1.301 -21.597 -8.325 440 HB2 ARG 83 HB2 ARG 83 -0.678 -23.999 -8.754 441 HB3 ARG 83 HB1 ARG 83 -0.018 -23.528 -10.309 442 HG2 ARG 83 HG2 ARG 83 1.040 -22.437 -7.679 443 HG3 ARG 83 HG1 ARG 83 1.637 -23.923 -8.397 444 HD2 ARG 83 HD2 ARG 83 1.867 -21.109 -9.500 445 HD3 ARG 83 HD1 ARG 83 3.173 -22.177 -8.983 446 HE ARG 83 HE ARG 83 1.525 -22.516 -11.423 447 HH11 ARG 83 HH11 ARG 83 4.546 -23.108 -9.728 448 HH12 ARG 83 HH12 ARG 83 5.291 -23.866 -11.096 449 HH21 ARG 83 HH21 ARG 83 2.553 -23.484 -13.222 450 HH22 ARG 83 HH22 ARG 83 4.186 -24.050 -13.062 451 H VAL 84 HN VAL 84 -1.038 -19.542 -8.802 452 HA VAL 84 HA VAL 84 -0.336 -18.581 -11.475 453 HB VAL 84 HB VAL 84 -0.732 -16.962 -8.914 454 HG11 VAL 84 HG11 VAL 84 -0.718 -16.043 -11.812 455 HG12 VAL 84 HG12 VAL 84 0.548 -15.744 -10.620 456 HG13 VAL 84 HG13 VAL 84 -1.049 -15.026 -10.407 457 HG21 VAL 84 HG21 VAL 84 -3.000 -16.446 -9.712 458 HG22 VAL 84 HG22 VAL 84 -2.794 -18.172 -9.419 459 HG23 VAL 84 HG23 VAL 84 -2.782 -17.552 -11.072 460 H VAL 85 HN VAL 85 1.804 -18.976 -11.883 461 HA VAL 85 HA VAL 85 3.770 -17.948 -9.930 462 HB VAL 85 HB VAL 85 4.224 -20.249 -10.677 463 HG11 VAL 85 HG11 VAL 85 4.503 -19.169 -13.477 464 HG12 VAL 85 HG12 VAL 85 3.240 -20.249 -12.888 465 HG13 VAL 85 HG13 VAL 85 4.913 -20.803 -12.950 466 HG21 VAL 85 HG21 VAL 85 6.111 -18.827 -10.027 467 HG22 VAL 85 HG22 VAL 85 6.292 -18.273 -11.692 468 HG23 VAL 85 HG23 VAL 85 6.599 -19.963 -11.285 469 H ALA 86 HN ALA 86 4.846 -16.108 -10.373 470 HA ALA 86 HA ALA 86 4.438 -14.772 -12.971 471 HB1 ALA 86 HB1 ALA 86 3.739 -13.532 -10.289 472 HB2 ALA 86 HB2 ALA 86 2.588 -14.061 -11.516 473 HB3 ALA 86 HB3 ALA 86 3.680 -12.717 -11.858 474 H ASP 87 HN ASP 87 6.325 -14.092 -13.675 475 HA ASP 87 HA ASP 87 8.690 -13.882 -12.147 476 HB2 ASP 87 HB2 ASP 87 7.926 -13.004 -14.937 477 HB3 ASP 87 HB1 ASP 87 9.509 -12.621 -14.274 478 H VAL 88 HN VAL 88 9.714 -12.191 -11.243 479 HA VAL 88 HA VAL 88 8.113 -9.744 -10.848 480 HB VAL 88 HB VAL 88 9.130 -9.566 -8.607 481 HG11 VAL 88 HG11 VAL 88 7.942 -11.448 -7.504 482 HG12 VAL 88 HG12 VAL 88 7.773 -12.249 -9.069 483 HG13 VAL 88 HG13 VAL 88 6.976 -10.700 -8.778 484 HG21 VAL 88 HG21 VAL 88 11.279 -10.711 -9.014 485 HG22 VAL 88 HG22 VAL 88 10.445 -12.258 -9.142 486 HG23 VAL 88 HG23 VAL 88 10.458 -11.388 -7.607 487 H TYR 89 HN TYR 89 9.177 -7.787 -10.778 488 HA TYR 89 HA TYR 89 11.793 -7.680 -12.161 489 HB2 TYR 89 HB2 TYR 89 9.275 -6.040 -12.761 490 HB3 TYR 89 HB1 TYR 89 10.846 -5.774 -13.505 491 HD1 TYR 89 HD1 TYR 89 8.095 -8.296 -13.195 492 HD2 TYR 89 HD2 TYR 89 11.442 -6.971 -15.503 493 HE1 TYR 89 HE1 TYR 89 7.485 -9.864 -14.986 494 HE2 TYR 89 HE2 TYR 89 10.824 -8.540 -17.294 495 HH TYR 89 HH TYR 89 7.828 -10.178 -17.372 496 H LYS 90 HN LYS 90 13.042 -5.841 -11.737 497 HA LYS 90 HA LYS 90 12.394 -4.284 -9.341 498 HB2 LYS 90 HB2 LYS 90 14.930 -4.339 -11.039 499 HB3 LYS 90 HB1 LYS 90 14.739 -3.452 -9.526 500 HG2 LYS 90 HG2 LYS 90 14.578 -6.473 -9.823 501 HG3 LYS 90 HG1 LYS 90 15.990 -5.583 -9.254 502 HD2 LYS 90 HD2 LYS 90 13.275 -5.540 -7.869 503 HD3 LYS 90 HD1 LYS 90 14.588 -6.634 -7.434 504 HE2 LYS 90 HE2 LYS 90 14.652 -3.603 -7.273 505 HE3 LYS 90 HE1 LYS 90 14.539 -4.726 -5.917 506 HZ1 LYS 90 HZ1 LYS 90 16.787 -3.940 -6.181 507 HZ2 LYS 90 HZ2 LYS 90 16.836 -4.468 -7.786 508 HZ3 LYS 90 HZ3 LYS 90 16.724 -5.596 -6.528 509 H ALA 91 HN ALA 91 13.148 -1.837 -9.588 510 HA ALA 91 HA ALA 91 11.386 -0.616 -11.517 511 HB1 ALA 91 HB1 ALA 91 11.973 1.504 -10.395 512 HB2 ALA 91 HB2 ALA 91 13.246 0.686 -9.487 513 HB3 ALA 91 HB3 ALA 91 11.558 0.255 -9.215 Start of MODEL 15 1 H HIS 21 HT1 HIS 21 -2.330 0.276 -3.593 2 HA HIS 21 HA HIS 21 -0.883 0.425 -6.160 3 HB2 HIS 21 HB2 HIS 21 -0.940 2.384 -3.826 4 HB3 HIS 21 HB1 HIS 21 0.182 2.490 -5.179 5 HD1 HIS 21 HD1 HIS 21 -0.787 3.277 -7.471 6 HD2 HIS 21 HD2 HIS 21 -3.568 3.270 -4.380 7 HE1 HIS 21 HE1 HIS 21 -2.747 4.592 -8.316 8 HE2 HIS 21 HE2 HIS 21 -4.486 4.368 -6.526 9 H ALA 22 HN ALA 22 0.071 -1.550 -5.788 10 HA ALA 22 HA ALA 22 2.336 -1.544 -3.875 11 HB1 ALA 22 HB1 ALA 22 0.634 -3.140 -3.060 12 HB2 ALA 22 HB2 ALA 22 2.051 -4.011 -3.649 13 HB3 ALA 22 HB3 ALA 22 0.591 -3.932 -4.637 14 H ALA 23 HN ALA 23 3.244 -4.153 -5.212 15 HA ALA 23 HA ALA 23 4.678 -3.175 -7.425 16 HB1 ALA 23 HB1 ALA 23 5.330 -5.222 -6.219 17 HB2 ALA 23 HB2 ALA 23 5.196 -5.522 -7.952 18 HB3 ALA 23 HB3 ALA 23 3.918 -6.063 -6.858 19 H THR 24 HN THR 24 4.020 -2.629 -9.362 20 HA THR 24 HA THR 24 1.264 -2.917 -10.207 21 HB THR 24 HB THR 24 3.634 -1.573 -11.600 22 HG1 THR 24 HG1 THR 24 2.261 -0.904 -9.326 23 HG21 THR 24 HG21 THR 24 0.635 -1.075 -11.899 24 HG22 THR 24 HG22 THR 24 1.675 -1.863 -13.090 25 HG23 THR 24 HG23 THR 24 1.921 -0.164 -12.692 26 H GLU 25 HN GLU 25 0.554 -4.031 -12.162 27 HA GLU 25 HA GLU 25 2.112 -6.209 -13.132 28 HB2 GLU 25 HB2 GLU 25 -0.373 -6.185 -13.292 29 HB3 GLU 25 HB1 GLU 25 -0.287 -4.879 -14.470 30 HG2 GLU 25 HG2 GLU 25 0.933 -6.379 -16.025 31 HG3 GLU 25 HG1 GLU 25 0.821 -7.684 -14.846 32 H LEU 26 HN LEU 26 3.506 -6.332 -14.868 33 HA LEU 26 HA LEU 26 4.411 -3.802 -16.043 34 HB2 LEU 26 HB2 LEU 26 6.009 -5.444 -14.855 35 HB3 LEU 26 HB1 LEU 26 5.806 -6.498 -16.240 36 HG LEU 26 HG LEU 26 6.773 -4.764 -17.726 37 HD11 LEU 26 HD11 LEU 26 7.811 -2.727 -16.781 38 HD12 LEU 26 HD12 LEU 26 7.113 -3.106 -15.204 39 HD13 LEU 26 HD13 LEU 26 6.062 -2.738 -16.574 40 HD21 LEU 26 HD21 LEU 26 8.542 -5.349 -15.326 41 HD22 LEU 26 HD22 LEU 26 9.095 -4.855 -16.928 42 HD23 LEU 26 HD23 LEU 26 8.294 -6.408 -16.717 43 H THR 27 HN THR 27 4.292 -3.411 -18.195 44 HA THR 27 HA THR 27 2.377 -4.881 -19.746 45 HB THR 27 HB THR 27 2.986 -3.062 -21.484 46 HG1 THR 27 HG1 THR 27 4.094 -1.272 -20.050 47 HG21 THR 27 HG21 THR 27 1.841 -1.253 -20.266 48 HG22 THR 27 HG22 THR 27 2.090 -2.096 -18.737 49 HG23 THR 27 HG23 THR 27 1.033 -2.793 -19.968 50 HA PRO 28 HA PRO 28 4.661 -8.022 -21.576 51 HB2 PRO 28 HB2 PRO 28 3.938 -7.939 -24.312 52 HB3 PRO 28 HB1 PRO 28 3.020 -8.704 -23.011 53 HG2 PRO 28 HG2 PRO 28 2.681 -5.970 -24.222 54 HG3 PRO 28 HG1 PRO 28 1.439 -7.141 -23.732 55 HD2 PRO 28 HD2 PRO 28 1.978 -5.032 -22.191 56 HD3 PRO 28 HD1 PRO 28 1.672 -6.616 -21.450 57 H GLU 29 HN GLU 29 5.113 -5.077 -23.596 58 HA GLU 29 HA GLU 29 7.528 -5.966 -24.861 59 HB2 GLU 29 HB2 GLU 29 6.091 -4.194 -25.835 60 HB3 GLU 29 HB1 GLU 29 6.472 -3.132 -24.494 61 HG2 GLU 29 HG2 GLU 29 7.750 -2.460 -26.423 62 HG3 GLU 29 HG1 GLU 29 8.849 -3.105 -25.201 63 H GLN 30 HN GLN 30 6.833 -3.951 -22.014 64 HA GLN 30 HA GLN 30 9.537 -3.361 -21.303 65 HB2 GLN 30 HB2 GLN 30 7.086 -3.428 -19.497 66 HB3 GLN 30 HB1 GLN 30 8.624 -2.659 -19.119 67 HG2 GLN 30 HG2 GLN 30 6.643 -1.815 -21.248 68 HG3 GLN 30 HG1 GLN 30 6.965 -0.998 -19.723 69 HE21 GLN 30 HE21 GLN 30 8.952 0.122 -19.473 70 HE22 GLN 30 HE22 GLN 30 9.864 0.644 -20.846 71 H ALA 31 HN ALA 31 7.340 -6.001 -20.572 72 HA ALA 31 HA ALA 31 8.887 -7.209 -18.468 73 HB1 ALA 31 HB1 ALA 31 7.221 -9.022 -18.598 74 HB2 ALA 31 HB2 ALA 31 6.570 -8.323 -20.084 75 HB3 ALA 31 HB3 ALA 31 6.437 -7.439 -18.563 76 H ALA 32 HN ALA 32 8.775 -7.432 -21.935 77 HA ALA 32 HA ALA 32 10.400 -9.839 -22.124 78 HB1 ALA 32 HB1 ALA 32 10.302 -9.434 -24.559 79 HB2 ALA 32 HB2 ALA 32 9.521 -7.876 -24.270 80 HB3 ALA 32 HB3 ALA 32 8.693 -9.369 -23.833 81 H ALA 33 HN ALA 33 10.801 -6.336 -22.300 82 HA ALA 33 HA ALA 33 13.507 -6.319 -23.273 83 HB1 ALA 33 HB1 ALA 33 11.950 -4.112 -21.881 84 HB2 ALA 33 HB2 ALA 33 12.004 -4.402 -23.620 85 HB3 ALA 33 HB3 ALA 33 13.469 -3.919 -22.765 86 H LEU 34 HN LEU 34 11.985 -5.995 -20.097 87 HA LEU 34 HA LEU 34 14.535 -6.062 -18.681 88 HB2 LEU 34 HB2 LEU 34 11.691 -6.087 -17.584 89 HB3 LEU 34 HB1 LEU 34 13.155 -5.933 -16.620 90 HG LEU 34 HG LEU 34 12.065 -3.907 -18.602 91 HD11 LEU 34 HD11 LEU 34 11.766 -2.449 -16.651 92 HD12 LEU 34 HD12 LEU 34 12.333 -3.740 -15.587 93 HD13 LEU 34 HD13 LEU 34 10.832 -3.937 -16.496 94 HD21 LEU 34 HD21 LEU 34 14.491 -3.873 -18.744 95 HD22 LEU 34 HD22 LEU 34 14.629 -3.751 -16.989 96 HD23 LEU 34 HD23 LEU 34 13.918 -2.429 -17.915 97 H LYS 35 HN LYS 35 15.177 -7.781 -17.417 98 HA LYS 35 HA LYS 35 13.846 -10.381 -17.867 99 HB2 LYS 35 HB2 LYS 35 16.244 -10.251 -18.500 100 HB3 LYS 35 HB1 LYS 35 16.661 -9.750 -16.863 101 HG2 LYS 35 HG2 LYS 35 16.036 -11.911 -15.965 102 HG3 LYS 35 HG1 LYS 35 15.344 -12.406 -17.513 103 HD2 LYS 35 HD2 LYS 35 17.612 -12.332 -18.526 104 HD3 LYS 35 HD1 LYS 35 18.288 -11.892 -16.954 105 HE2 LYS 35 HE2 LYS 35 17.634 -14.031 -16.015 106 HE3 LYS 35 HE1 LYS 35 16.745 -14.457 -17.479 107 HZ1 LYS 35 HZ1 LYS 35 19.676 -14.033 -17.328 108 HZ2 LYS 35 HZ2 LYS 35 18.798 -14.499 -18.696 109 HZ3 LYS 35 HZ3 LYS 35 18.906 -15.539 -17.371 110 HA PRO 36 HA PRO 36 12.663 -10.193 -13.454 111 HB2 PRO 36 HB2 PRO 36 11.887 -12.781 -13.101 112 HB3 PRO 36 HB1 PRO 36 10.892 -11.616 -13.985 113 HG2 PRO 36 HG2 PRO 36 12.812 -13.676 -15.080 114 HG3 PRO 36 HG1 PRO 36 11.143 -13.331 -15.586 115 HD2 PRO 36 HD2 PRO 36 13.266 -12.330 -16.940 116 HD3 PRO 36 HD1 PRO 36 11.758 -11.398 -16.759 117 H TYR 37 HN TYR 37 13.885 -10.440 -11.657 118 HA TYR 37 HA TYR 37 16.376 -11.903 -11.695 119 HB2 TYR 37 HB2 TYR 37 16.697 -11.015 -9.402 120 HB3 TYR 37 HB1 TYR 37 16.277 -9.744 -10.538 121 HD1 TYR 37 HD1 TYR 37 14.113 -8.552 -10.344 122 HD2 TYR 37 HD2 TYR 37 15.137 -11.642 -7.575 123 HE1 TYR 37 HE1 TYR 37 12.332 -7.794 -8.833 124 HE2 TYR 37 HE2 TYR 37 13.348 -10.878 -6.068 125 HH TYR 37 HH TYR 37 10.901 -8.834 -6.993 126 H ASP 38 HN ASP 38 13.144 -12.577 -10.883 127 HA ASP 38 HA ASP 38 13.589 -15.284 -10.095 128 HB2 ASP 38 HB2 ASP 38 14.146 -13.942 -7.958 129 HB3 ASP 38 HB1 ASP 38 12.461 -13.442 -7.925 130 H ARG 39 HN ARG 39 11.312 -16.236 -9.409 131 HA ARG 39 HA ARG 39 9.024 -14.706 -10.480 132 HB2 ARG 39 HB2 ARG 39 9.634 -17.633 -11.110 133 HB3 ARG 39 HB1 ARG 39 8.117 -16.824 -11.496 134 HG2 ARG 39 HG2 ARG 39 9.330 -15.291 -13.013 135 HG3 ARG 39 HG1 ARG 39 10.845 -16.110 -12.634 136 HD2 ARG 39 HD2 ARG 39 8.438 -17.458 -13.912 137 HD3 ARG 39 HD1 ARG 39 9.810 -16.800 -14.809 138 HE ARG 39 HE ARG 39 10.439 -18.764 -12.754 139 HH11 ARG 39 HH11 ARG 39 9.852 -18.234 -16.189 140 HH12 ARG 39 HH12 ARG 39 10.641 -19.702 -16.654 141 HH21 ARG 39 HH21 ARG 39 11.466 -20.653 -13.405 142 HH22 ARG 39 HH22 ARG 39 11.547 -21.073 -15.083 143 H ILE 40 HN ILE 40 7.505 -14.579 -8.958 144 HA ILE 40 HA ILE 40 7.528 -16.331 -6.613 145 HB ILE 40 HB ILE 40 5.740 -14.835 -5.725 146 HG12 ILE 40 HG12 ILE 40 6.079 -13.258 -8.331 147 HG13 ILE 40 HG11 ILE 40 4.670 -14.222 -7.912 148 HG21 ILE 40 HG21 ILE 40 8.168 -13.311 -6.747 149 HG22 ILE 40 HG22 ILE 40 8.104 -14.299 -5.285 150 HG23 ILE 40 HG23 ILE 40 7.134 -12.831 -5.397 151 HD11 ILE 40 HD11 ILE 40 5.608 -11.765 -6.438 152 HD12 ILE 40 HD12 ILE 40 4.161 -12.713 -6.081 153 HD13 ILE 40 HD13 ILE 40 4.293 -11.845 -7.607 154 H VAL 41 HN VAL 41 5.698 -17.493 -5.931 155 HA VAL 41 HA VAL 41 3.592 -18.077 -7.900 156 HB VAL 41 HB VAL 41 5.247 -20.188 -6.435 157 HG11 VAL 41 HG11 VAL 41 2.780 -20.556 -8.173 158 HG12 VAL 41 HG12 VAL 41 2.889 -20.844 -6.434 159 HG13 VAL 41 HG13 VAL 41 3.794 -21.862 -7.552 160 HG21 VAL 41 HG21 VAL 41 5.841 -21.007 -8.699 161 HG22 VAL 41 HG22 VAL 41 6.377 -19.345 -8.456 162 HG23 VAL 41 HG23 VAL 41 4.936 -19.672 -9.420 163 H ILE 42 HN ILE 42 1.690 -17.897 -6.980 164 HA ILE 42 HA ILE 42 1.325 -18.333 -4.067 165 HB ILE 42 HB ILE 42 -0.661 -16.815 -4.228 166 HG12 ILE 42 HG12 ILE 42 0.329 -16.203 -7.060 167 HG13 ILE 42 HG11 ILE 42 -1.116 -17.131 -6.680 168 HG21 ILE 42 HG21 ILE 42 1.938 -15.501 -5.112 169 HG22 ILE 42 HG22 ILE 42 1.488 -15.894 -3.452 170 HG23 ILE 42 HG23 ILE 42 0.577 -14.678 -4.346 171 HD11 ILE 42 HD11 ILE 42 -1.657 -14.872 -7.348 172 HD12 ILE 42 HD12 ILE 42 -0.669 -14.219 -6.042 173 HD13 ILE 42 HD13 ILE 42 -2.123 -15.149 -5.671 174 H THR 43 HN THR 43 -0.517 -19.535 -3.446 175 HA THR 43 HA THR 43 -2.071 -20.880 -5.580 176 HB THR 43 HB THR 43 -2.676 -22.453 -3.475 177 HG1 THR 43 HG1 THR 43 -0.008 -21.678 -2.842 178 HG21 THR 43 HG21 THR 43 -1.672 -23.311 -5.546 179 HG22 THR 43 HG22 THR 43 -0.884 -24.022 -4.135 180 HG23 THR 43 HG23 THR 43 -0.081 -22.734 -5.034 181 H GLY 44 HN GLY 44 -4.301 -21.400 -4.939 182 HA2 GLY 44 HA2 GLY 44 -5.733 -19.883 -2.982 183 HA3 GLY 44 HA1 GLY 44 -5.899 -19.194 -4.598 184 H ARG 45 HN ARG 45 -8.220 -19.973 -3.643 185 HA ARG 45 HA ARG 45 -9.025 -22.045 -5.430 186 HB2 ARG 45 HB2 ARG 45 -9.962 -23.668 -3.861 187 HB3 ARG 45 HB1 ARG 45 -8.227 -23.543 -3.657 188 HG2 ARG 45 HG2 ARG 45 -10.232 -22.202 -1.807 189 HG3 ARG 45 HG1 ARG 45 -9.547 -23.804 -1.528 190 HD2 ARG 45 HD2 ARG 45 -7.282 -22.814 -1.486 191 HD3 ARG 45 HD1 ARG 45 -7.981 -21.210 -1.723 192 HE ARG 45 HE ARG 45 -9.240 -22.094 0.511 193 HH11 ARG 45 HH11 ARG 45 -5.844 -21.916 -0.370 194 HH12 ARG 45 HH12 ARG 45 -5.316 -21.645 1.256 195 HH21 ARG 45 HH21 ARG 45 -8.521 -21.715 2.648 196 HH22 ARG 45 HH22 ARG 45 -6.825 -21.527 2.962 197 H PHE 46 HN PHE 46 -11.112 -21.843 -5.987 198 HA PHE 46 HA PHE 46 -13.292 -21.247 -6.076 199 HB2 PHE 46 HB2 PHE 46 -13.202 -22.556 -3.845 200 HB3 PHE 46 HB1 PHE 46 -13.215 -20.998 -3.031 201 HD1 PHE 46 HD2 PHE 46 -15.179 -23.002 -5.537 202 HD2 PHE 46 HD1 PHE 46 -15.314 -20.077 -2.418 203 HE1 PHE 46 HE2 PHE 46 -17.641 -23.032 -5.603 204 HE2 PHE 46 HE1 PHE 46 -17.774 -20.117 -2.490 205 HZ PHE 46 HZ PHE 46 -18.941 -21.597 -4.079 206 H ASN 47 HN ASN 47 -11.288 -19.206 -6.329 207 HA ASN 47 HA ASN 47 -12.648 -16.759 -5.336 208 HB2 ASN 47 HB2 ASN 47 -9.653 -17.321 -5.550 209 HB3 ASN 47 HB1 ASN 47 -10.321 -15.720 -5.249 210 HD21 ASN 47 HD21 ASN 47 -8.576 -17.500 -3.619 211 HD22 ASN 47 HD22 ASN 47 -9.368 -17.633 -2.090 212 H ALA 48 HN ALA 48 -12.011 -14.823 -6.585 213 HA ALA 48 HA ALA 48 -12.176 -15.286 -9.465 214 HB1 ALA 48 HB1 ALA 48 -12.411 -12.721 -7.843 215 HB2 ALA 48 HB2 ALA 48 -13.761 -13.711 -8.402 216 HB3 ALA 48 HB3 ALA 48 -12.731 -12.883 -9.572 217 H ILE 49 HN ILE 49 -10.855 -13.796 -10.866 218 HA ILE 49 HA ILE 49 -8.072 -14.135 -10.374 219 HB ILE 49 HB ILE 49 -8.890 -14.176 -12.678 220 HG12 ILE 49 HG12 ILE 49 -7.233 -12.707 -13.803 221 HG13 ILE 49 HG11 ILE 49 -7.050 -11.749 -12.340 222 HG21 ILE 49 HG21 ILE 49 -10.757 -12.624 -12.502 223 HG22 ILE 49 HG22 ILE 49 -9.716 -12.170 -13.851 224 HG23 ILE 49 HG23 ILE 49 -9.649 -11.259 -12.341 225 HD11 ILE 49 HD11 ILE 49 -5.180 -13.287 -12.721 226 HD12 ILE 49 HD12 ILE 49 -6.282 -14.658 -12.621 227 HD13 ILE 49 HD13 ILE 49 -6.016 -13.634 -11.208 228 H GLY 50 HN GLY 50 -10.295 -11.437 -9.895 229 HA2 GLY 50 HA2 GLY 50 -8.512 -9.318 -9.428 230 HA3 GLY 50 HA1 GLY 50 -10.108 -9.477 -8.709 231 H ASP 51 HN ASP 51 -9.555 -11.923 -7.293 232 HA ASP 51 HA ASP 51 -8.343 -10.971 -4.890 233 HB2 ASP 51 HB2 ASP 51 -10.114 -12.663 -4.827 234 HB3 ASP 51 HB1 ASP 51 -9.126 -13.788 -5.752 235 H ALA 52 HN ALA 52 -7.299 -13.265 -7.405 236 HA ALA 52 HA ALA 52 -4.796 -13.970 -6.297 237 HB1 ALA 52 HB1 ALA 52 -4.255 -14.856 -8.514 238 HB2 ALA 52 HB2 ALA 52 -5.629 -13.990 -9.212 239 HB3 ALA 52 HB3 ALA 52 -5.900 -15.289 -8.048 240 H VAL 53 HN VAL 53 -5.757 -11.301 -8.416 241 HA VAL 53 HA VAL 53 -3.139 -10.378 -9.044 242 HB VAL 53 HB VAL 53 -5.826 -8.944 -9.187 243 HG11 VAL 53 HG11 VAL 53 -3.141 -7.961 -10.237 244 HG12 VAL 53 HG12 VAL 53 -4.078 -7.232 -8.932 245 HG13 VAL 53 HG13 VAL 53 -4.704 -7.213 -10.580 246 HG21 VAL 53 HG21 VAL 53 -5.575 -10.835 -10.759 247 HG22 VAL 53 HG22 VAL 53 -4.080 -10.136 -11.381 248 HG23 VAL 53 HG23 VAL 53 -5.615 -9.299 -11.630 249 H SER 54 HN SER 54 -5.502 -9.533 -6.517 250 HA SER 54 HA SER 54 -4.036 -7.483 -5.238 251 HB2 SER 54 HB2 SER 54 -6.025 -9.439 -4.011 252 HB3 SER 54 HB1 SER 54 -5.504 -7.913 -3.291 253 HG SER 54 HG SER 54 -7.566 -8.040 -4.606 254 H ALA 55 HN ALA 55 -3.942 -11.003 -4.945 255 HA ALA 55 HA ALA 55 -2.281 -11.121 -2.625 256 HB1 ALA 55 HB1 ALA 55 -2.080 -13.521 -3.161 257 HB2 ALA 55 HB2 ALA 55 -2.829 -13.229 -4.734 258 HB3 ALA 55 HB3 ALA 55 -3.756 -12.972 -3.256 259 H VAL 56 HN VAL 56 -1.631 -11.362 -6.123 260 HA VAL 56 HA VAL 56 1.133 -12.060 -5.802 261 HB VAL 56 HB VAL 56 -0.280 -12.842 -7.714 262 HG11 VAL 56 HG11 VAL 56 -0.664 -11.390 -9.664 263 HG12 VAL 56 HG12 VAL 56 -0.005 -10.016 -8.772 264 HG13 VAL 56 HG13 VAL 56 -1.493 -10.788 -8.227 265 HG21 VAL 56 HG21 VAL 56 2.154 -13.019 -7.865 266 HG22 VAL 56 HG22 VAL 56 2.254 -11.392 -8.542 267 HG23 VAL 56 HG23 VAL 56 1.459 -12.679 -9.452 268 H SER 57 HN SER 57 -0.591 -9.026 -6.314 269 HA SER 57 HA SER 57 1.651 -7.430 -7.090 270 HB2 SER 57 HB2 SER 57 0.157 -5.487 -6.490 271 HB3 SER 57 HB1 SER 57 -0.602 -6.645 -7.581 272 HG SER 57 HG SER 57 -2.016 -7.118 -6.101 273 H ARG 58 HN ARG 58 0.106 -8.145 -3.974 274 HA ARG 58 HA ARG 58 1.846 -6.508 -2.375 275 HB2 ARG 58 HB2 ARG 58 -0.220 -8.637 -1.748 276 HB3 ARG 58 HB1 ARG 58 0.852 -8.078 -0.475 277 HG2 ARG 58 HG2 ARG 58 -1.363 -6.935 -0.473 278 HG3 ARG 58 HG1 ARG 58 -0.004 -5.823 -0.617 279 HD2 ARG 58 HD2 ARG 58 -0.434 -5.472 -2.953 280 HD3 ARG 58 HD1 ARG 58 -1.598 -6.793 -3.003 281 HE ARG 58 HE ARG 58 -2.344 -4.695 -1.178 282 HH11 ARG 58 HH11 ARG 58 -2.452 -5.683 -4.545 283 HH12 ARG 58 HH12 ARG 58 -3.863 -4.740 -4.898 284 HH21 ARG 58 HH21 ARG 58 -4.212 -3.483 -1.653 285 HH22 ARG 58 HH22 ARG 58 -4.864 -3.493 -3.260 286 H ARG 59 HN ARG 59 1.806 -9.879 -3.406 287 HA ARG 59 HA ARG 59 3.846 -10.897 -1.733 288 HB2 ARG 59 HB2 ARG 59 2.216 -12.333 -2.965 289 HB3 ARG 59 HB1 ARG 59 2.966 -11.876 -4.487 290 HG2 ARG 59 HG2 ARG 59 3.726 -14.091 -3.861 291 HG3 ARG 59 HG1 ARG 59 5.083 -12.965 -3.758 292 HD2 ARG 59 HD2 ARG 59 4.431 -12.799 -1.219 293 HD3 ARG 59 HD1 ARG 59 3.550 -14.297 -1.523 294 HE ARG 59 HE ARG 59 5.586 -15.410 -1.931 295 HH11 ARG 59 HH11 ARG 59 6.093 -12.050 -0.962 296 HH12 ARG 59 HH12 ARG 59 7.799 -12.268 -0.715 297 HH21 ARG 59 HH21 ARG 59 7.853 -15.639 -1.582 298 HH22 ARG 59 HH22 ARG 59 8.782 -14.266 -1.063 299 H ALA 60 HN ALA 60 3.913 -9.538 -5.007 300 HA ALA 60 HA ALA 60 6.715 -9.834 -5.487 301 HB1 ALA 60 HB1 ALA 60 5.102 -9.611 -7.322 302 HB2 ALA 60 HB2 ALA 60 6.310 -8.329 -7.412 303 HB3 ALA 60 HB3 ALA 60 4.692 -7.979 -6.793 304 H ASP 61 HN ASP 61 4.699 -7.329 -4.075 305 HA ASP 61 HA ASP 61 6.558 -5.195 -4.002 306 HB2 ASP 61 HB2 ASP 61 4.058 -4.991 -3.695 307 HB3 ASP 61 HB1 ASP 61 4.227 -5.720 -2.104 308 H GLU 62 HN GLU 62 5.886 -7.881 -1.771 309 HA GLU 62 HA GLU 62 7.586 -7.151 0.385 310 HB2 GLU 62 HB2 GLU 62 6.791 -9.925 -0.600 311 HB3 GLU 62 HB1 GLU 62 7.544 -9.593 0.959 312 HG2 GLU 62 HG2 GLU 62 5.593 -8.355 1.695 313 HG3 GLU 62 HG1 GLU 62 4.855 -8.490 0.102 314 H GLU 63 HN GLU 63 8.139 -8.900 -2.622 315 HA GLU 63 HA GLU 63 10.861 -9.646 -2.088 316 HB2 GLU 63 HB2 GLU 63 9.252 -9.624 -4.679 317 HB3 GLU 63 HB1 GLU 63 10.861 -10.329 -4.506 318 HG2 GLU 63 HG2 GLU 63 8.321 -11.236 -3.115 319 HG3 GLU 63 HG1 GLU 63 9.176 -12.071 -4.414 320 H GLY 64 HN GLY 64 9.541 -6.656 -2.690 321 HA2 GLY 64 HA2 GLY 64 10.534 -4.628 -3.086 322 HA3 GLY 64 HA1 GLY 64 12.087 -5.442 -3.224 323 H ALA 65 HN ALA 65 9.450 -6.496 -5.190 324 HA ALA 65 HA ALA 65 10.743 -5.688 -7.657 325 HB1 ALA 65 HB1 ALA 65 8.920 -6.929 -8.758 326 HB2 ALA 65 HB2 ALA 65 8.113 -7.151 -7.201 327 HB3 ALA 65 HB3 ALA 65 9.680 -7.904 -7.498 328 H ALA 66 HN ALA 66 10.310 -3.866 -8.699 329 HA ALA 66 HA ALA 66 8.362 -1.931 -7.990 330 HB1 ALA 66 HB1 ALA 66 9.916 -2.264 -10.593 331 HB2 ALA 66 HB2 ALA 66 10.434 -1.337 -9.183 332 HB3 ALA 66 HB3 ALA 66 9.023 -0.818 -10.106 333 H SER 67 HN SER 67 8.431 -4.619 -10.229 334 HA SER 67 HA SER 67 5.557 -4.454 -10.694 335 HB2 SER 67 HB2 SER 67 7.604 -4.413 -12.950 336 HB3 SER 67 HB1 SER 67 5.882 -4.715 -13.184 337 HG SER 67 HG SER 67 5.633 -2.603 -12.058 338 H PHE 68 HN PHE 68 4.648 -6.376 -11.529 339 HA PHE 68 HA PHE 68 6.356 -8.793 -11.634 340 HB2 PHE 68 HB2 PHE 68 4.551 -10.138 -10.725 341 HB3 PHE 68 HB1 PHE 68 4.801 -8.790 -9.629 342 HD1 PHE 68 HD2 PHE 68 3.086 -6.981 -9.449 343 HD2 PHE 68 HD1 PHE 68 2.453 -10.380 -11.977 344 HE1 PHE 68 HE2 PHE 68 0.690 -6.427 -9.619 345 HE2 PHE 68 HE1 PHE 68 0.066 -9.809 -12.139 346 HZ PHE 68 HZ PHE 68 -0.816 -7.832 -10.965 347 H TYR 69 HN TYR 69 5.172 -10.543 -12.996 348 HA TYR 69 HA TYR 69 3.225 -9.674 -14.929 349 HB2 TYR 69 HB2 TYR 69 5.231 -8.833 -16.075 350 HB3 TYR 69 HB1 TYR 69 6.055 -10.374 -15.861 351 HD1 TYR 69 HD1 TYR 69 3.218 -8.710 -17.636 352 HD2 TYR 69 HD2 TYR 69 5.730 -12.161 -17.451 353 HE1 TYR 69 HE1 TYR 69 2.290 -9.501 -19.769 354 HE2 TYR 69 HE2 TYR 69 4.800 -12.955 -19.583 355 HH TYR 69 HH TYR 69 2.756 -12.682 -20.885 356 H VAL 70 HN VAL 70 1.865 -11.344 -14.849 357 HA VAL 70 HA VAL 70 2.524 -13.967 -13.981 358 HB VAL 70 HB VAL 70 0.024 -12.996 -15.445 359 HG11 VAL 70 HG11 VAL 70 0.435 -15.549 -13.835 360 HG12 VAL 70 HG12 VAL 70 0.209 -15.444 -15.582 361 HG13 VAL 70 HG13 VAL 70 -1.105 -14.991 -14.496 362 HG21 VAL 70 HG21 VAL 70 0.401 -11.761 -13.341 363 HG22 VAL 70 HG22 VAL 70 0.520 -13.282 -12.452 364 HG23 VAL 70 HG23 VAL 70 -1.006 -12.817 -13.206 365 H VAL 71 HN VAL 71 3.594 -15.469 -15.134 366 HA VAL 71 HA VAL 71 3.660 -15.432 -18.060 367 HB VAL 71 HB VAL 71 5.785 -15.860 -16.920 368 HG11 VAL 71 HG11 VAL 71 6.245 -17.909 -15.626 369 HG12 VAL 71 HG12 VAL 71 4.543 -18.364 -15.726 370 HG13 VAL 71 HG13 VAL 71 5.017 -16.910 -14.846 371 HG21 VAL 71 HG21 VAL 71 6.522 -17.893 -18.127 372 HG22 VAL 71 HG22 VAL 71 5.489 -16.886 -19.139 373 HG23 VAL 71 HG23 VAL 71 4.837 -18.349 -18.401 374 H ASP 72 HN ASP 72 2.216 -17.268 -15.434 375 HA ASP 72 HA ASP 72 0.691 -18.972 -17.230 376 HB2 ASP 72 HB2 ASP 72 2.943 -20.084 -17.115 377 HB3 ASP 72 HB1 ASP 72 2.800 -20.177 -15.368 378 H THR 73 HN THR 73 -1.175 -19.656 -16.252 379 HA THR 73 HA THR 73 -1.385 -19.577 -13.286 380 HB THR 73 HB THR 73 -3.897 -19.311 -13.674 381 HG1 THR 73 HG1 THR 73 -3.619 -19.916 -16.025 382 HG21 THR 73 HG21 THR 73 -2.544 -17.357 -13.005 383 HG22 THR 73 HG22 THR 73 -3.828 -16.879 -14.118 384 HG23 THR 73 HG23 THR 73 -2.168 -17.026 -14.699 385 H SER 74 HN SER 74 -0.982 -21.641 -12.757 386 HA SER 74 HA SER 74 -2.068 -23.936 -14.174 387 HB2 SER 74 HB2 SER 74 -0.569 -23.880 -11.521 388 HB3 SER 74 HB1 SER 74 -0.814 -25.274 -12.571 389 HG SER 74 HG SER 74 0.392 -23.152 -13.820 390 H GLU 75 HN GLU 75 -3.002 -25.684 -12.591 391 HA GLU 75 HA GLU 75 -4.563 -24.834 -10.383 392 HB2 GLU 75 HB2 GLU 75 -6.804 -25.507 -11.430 393 HB3 GLU 75 HB1 GLU 75 -6.136 -23.964 -11.929 394 HG2 GLU 75 HG2 GLU 75 -6.969 -24.899 -13.905 395 HG3 GLU 75 HG1 GLU 75 -5.230 -25.167 -14.004 396 H PHE 76 HN PHE 76 -6.074 -26.728 -9.685 397 HA PHE 76 HA PHE 76 -4.137 -28.780 -9.103 398 HB2 PHE 76 HB2 PHE 76 -5.643 -27.652 -7.414 399 HB3 PHE 76 HB1 PHE 76 -7.002 -28.523 -8.101 400 HD1 PHE 76 HD2 PHE 76 -3.649 -29.100 -6.502 401 HD2 PHE 76 HD1 PHE 76 -7.583 -30.636 -7.180 402 HE1 PHE 76 HE2 PHE 76 -3.200 -30.967 -4.962 403 HE2 PHE 76 HE1 PHE 76 -7.122 -32.496 -5.634 404 HZ PHE 76 HZ PHE 76 -4.928 -32.662 -4.525 405 H GLY 77 HN GLY 77 -6.489 -28.537 -11.531 406 HA2 GLY 77 HA2 GLY 77 -6.550 -30.188 -13.274 407 HA3 GLY 77 HA1 GLY 77 -6.357 -31.453 -12.069 408 H ASN 78 HN ASN 78 -8.561 -29.195 -13.553 409 HA ASN 78 HA ASN 78 -10.783 -28.811 -13.541 410 HB2 ASN 78 HB2 ASN 78 -10.775 -31.842 -13.262 411 HB3 ASN 78 HB1 ASN 78 -12.264 -30.933 -13.482 412 HD21 ASN 78 HD21 ASN 78 -11.102 -28.972 -15.340 413 HD22 ASN 78 HD22 ASN 78 -10.855 -29.816 -16.823 414 H SER 79 HN SER 79 -9.572 -28.267 -11.126 415 HA SER 79 HA SER 79 -11.613 -28.950 -9.082 416 HB2 SER 79 HB2 SER 79 -9.541 -30.290 -8.753 417 HB3 SER 79 HB1 SER 79 -8.593 -28.807 -8.676 418 HG SER 79 HG SER 79 -9.104 -29.594 -6.604 419 H GLY 80 HN GLY 80 -11.548 -27.409 -7.202 420 HA2 GLY 80 HA2 GLY 80 -11.920 -24.730 -8.105 421 HA3 GLY 80 HA1 GLY 80 -12.011 -25.293 -6.443 422 H ASN 81 HN ASN 81 -9.312 -26.334 -6.361 423 HA ASN 81 HA ASN 81 -7.865 -23.995 -5.641 424 HB2 ASN 81 HB2 ASN 81 -7.582 -26.249 -4.532 425 HB3 ASN 81 HB1 ASN 81 -6.757 -26.817 -5.976 426 HD21 ASN 81 HD21 ASN 81 -4.700 -25.872 -6.513 427 HD22 ASN 81 HD22 ASN 81 -3.730 -25.134 -5.288 428 H TRP 82 HN TRP 82 -6.297 -22.895 -6.685 429 HA TRP 82 HA TRP 82 -5.122 -23.826 -9.155 430 HB2 TRP 82 HB2 TRP 82 -5.594 -21.695 -10.362 431 HB3 TRP 82 HB1 TRP 82 -7.039 -22.628 -10.025 432 HD1 TRP 82 HD1 TRP 82 -7.907 -21.593 -7.188 433 HE1 TRP 82 HE1 TRP 82 -8.679 -19.157 -6.881 434 HE3 TRP 82 HE3 TRP 82 -5.703 -19.499 -11.303 435 HZ2 TRP 82 HZ2 TRP 82 -8.431 -16.689 -8.208 436 HZ3 TRP 82 HZ3 TRP 82 -6.036 -17.099 -11.723 437 HH2 TRP 82 HH2 TRP 82 -7.367 -15.726 -10.208 438 H ARG 83 HN ARG 83 -3.555 -21.897 -9.937 439 HA ARG 83 HA ARG 83 -1.864 -21.036 -7.724 440 HB2 ARG 83 HB2 ARG 83 -1.397 -23.418 -7.762 441 HB3 ARG 83 HB1 ARG 83 -1.238 -23.429 -9.505 442 HG2 ARG 83 HG2 ARG 83 0.741 -21.796 -7.937 443 HG3 ARG 83 HG1 ARG 83 0.877 -23.551 -7.861 444 HD2 ARG 83 HD2 ARG 83 0.809 -23.452 -10.466 445 HD3 ARG 83 HD1 ARG 83 1.184 -21.735 -10.263 446 HE ARG 83 HE ARG 83 3.117 -22.840 -8.802 447 HH11 ARG 83 HH11 ARG 83 2.022 -23.849 -11.991 448 HH12 ARG 83 HH12 ARG 83 3.597 -24.371 -12.481 449 HH21 ARG 83 HH21 ARG 83 5.181 -23.490 -9.499 450 HH22 ARG 83 HH22 ARG 83 5.373 -24.174 -11.080 451 H VAL 84 HN VAL 84 -1.017 -19.144 -8.400 452 HA VAL 84 HA VAL 84 -0.752 -18.588 -11.295 453 HB VAL 84 HB VAL 84 -0.910 -16.602 -8.980 454 HG11 VAL 84 HG11 VAL 84 -0.973 -16.098 -11.976 455 HG12 VAL 84 HG12 VAL 84 0.351 -15.697 -10.882 456 HG13 VAL 84 HG13 VAL 84 -1.201 -14.870 -10.723 457 HG21 VAL 84 HG21 VAL 84 -3.075 -17.374 -10.982 458 HG22 VAL 84 HG22 VAL 84 -3.207 -16.102 -9.766 459 HG23 VAL 84 HG23 VAL 84 -3.056 -17.786 -9.264 460 H VAL 85 HN VAL 85 1.219 -18.277 -12.147 461 HA VAL 85 HA VAL 85 3.600 -17.868 -10.423 462 HB VAL 85 HB VAL 85 3.600 -18.807 -13.335 463 HG11 VAL 85 HG11 VAL 85 5.785 -18.923 -11.215 464 HG12 VAL 85 HG12 VAL 85 5.726 -17.811 -12.583 465 HG13 VAL 85 HG13 VAL 85 5.917 -19.541 -12.865 466 HG21 VAL 85 HG21 VAL 85 3.960 -21.106 -12.520 467 HG22 VAL 85 HG22 VAL 85 2.393 -20.476 -12.011 468 HG23 VAL 85 HG23 VAL 85 3.726 -20.558 -10.858 469 H ALA 86 HN ALA 86 4.588 -15.902 -10.595 470 HA ALA 86 HA ALA 86 4.210 -14.244 -12.995 471 HB1 ALA 86 HB1 ALA 86 3.799 -13.216 -10.165 472 HB2 ALA 86 HB2 ALA 86 2.528 -13.500 -11.353 473 HB3 ALA 86 HB3 ALA 86 3.739 -12.251 -11.646 474 H ASP 87 HN ASP 87 6.082 -13.648 -13.720 475 HA ASP 87 HA ASP 87 8.616 -13.698 -12.504 476 HB2 ASP 87 HB2 ASP 87 7.619 -11.970 -14.823 477 HB3 ASP 87 HB1 ASP 87 9.304 -12.350 -14.478 478 H VAL 88 HN VAL 88 9.736 -12.110 -11.313 479 HA VAL 88 HA VAL 88 8.333 -9.549 -10.780 480 HB VAL 88 HB VAL 88 9.491 -9.540 -8.526 481 HG11 VAL 88 HG11 VAL 88 7.126 -10.149 -8.746 482 HG12 VAL 88 HG12 VAL 88 7.890 -11.099 -7.471 483 HG13 VAL 88 HG13 VAL 88 7.564 -11.834 -9.043 484 HG21 VAL 88 HG21 VAL 88 11.293 -11.178 -8.993 485 HG22 VAL 88 HG22 VAL 88 10.096 -12.463 -9.149 486 HG23 VAL 88 HG23 VAL 88 10.336 -11.665 -7.592 487 H TYR 89 HN TYR 89 9.476 -7.661 -10.774 488 HA TYR 89 HA TYR 89 12.208 -7.658 -11.935 489 HB2 TYR 89 HB2 TYR 89 9.929 -5.862 -12.924 490 HB3 TYR 89 HB1 TYR 89 11.537 -6.021 -13.616 491 HD1 TYR 89 HD1 TYR 89 8.299 -7.802 -13.119 492 HD2 TYR 89 HD2 TYR 89 11.934 -7.631 -15.364 493 HE1 TYR 89 HE1 TYR 89 7.394 -9.426 -14.715 494 HE2 TYR 89 HE2 TYR 89 11.017 -9.264 -16.958 495 HH TYR 89 HH TYR 89 7.714 -10.137 -16.991 496 H LYS 90 HN LYS 90 13.512 -6.063 -10.992 497 HA LYS 90 HA LYS 90 12.253 -3.933 -9.370 498 HB2 LYS 90 HB2 LYS 90 15.201 -4.700 -9.643 499 HB3 LYS 90 HB1 LYS 90 14.571 -3.436 -8.586 500 HG2 LYS 90 HG2 LYS 90 13.275 -5.185 -7.349 501 HG3 LYS 90 HG1 LYS 90 14.037 -6.412 -8.362 502 HD2 LYS 90 HD2 LYS 90 16.276 -5.646 -7.510 503 HD3 LYS 90 HD1 LYS 90 15.440 -4.537 -6.419 504 HE2 LYS 90 HE2 LYS 90 15.246 -7.571 -6.407 505 HE3 LYS 90 HE1 LYS 90 16.103 -6.572 -5.232 506 HZ1 LYS 90 HZ1 LYS 90 13.171 -6.694 -5.677 507 HZ2 LYS 90 HZ2 LYS 90 13.925 -5.567 -4.667 508 HZ3 LYS 90 HZ3 LYS 90 14.021 -7.218 -4.314 509 H ALA 91 HN ALA 91 12.302 -1.790 -10.053 510 HA ALA 91 HA ALA 91 13.128 -1.245 -12.785 511 HB1 ALA 91 HB1 ALA 91 12.098 0.964 -12.452 512 HB2 ALA 91 HB2 ALA 91 11.836 0.600 -10.745 513 HB3 ALA 91 HB3 ALA 91 10.996 -0.334 -11.986 Start of MODEL 16 1 H HIS 21 HT1 HIS 21 2.316 -2.109 -1.041 2 HA HIS 21 HA HIS 21 0.699 -3.468 0.078 3 HB2 HIS 21 HB2 HIS 21 -1.701 -3.211 -0.309 4 HB3 HIS 21 HB1 HIS 21 -1.062 -1.710 0.336 5 HD1 HIS 21 HD1 HIS 21 -1.256 0.387 -1.114 6 HD2 HIS 21 HD2 HIS 21 -2.592 -3.055 -3.026 7 HE1 HIS 21 HE1 HIS 21 -2.450 1.175 -3.170 8 HE2 HIS 21 HE2 HIS 21 -3.087 -0.921 -4.396 9 H ALA 22 HN ALA 22 1.244 -2.318 -3.135 10 HA ALA 22 HA ALA 22 1.199 -4.986 -4.263 11 HB1 ALA 22 HB1 ALA 22 -0.719 -2.880 -5.341 12 HB2 ALA 22 HB2 ALA 22 -1.175 -4.348 -4.476 13 HB3 ALA 22 HB3 ALA 22 -0.411 -4.467 -6.061 14 H ALA 23 HN ALA 23 2.623 -5.160 -5.934 15 HA ALA 23 HA ALA 23 4.154 -2.876 -6.857 16 HB1 ALA 23 HB1 ALA 23 5.490 -4.533 -8.097 17 HB2 ALA 23 HB2 ALA 23 4.338 -5.802 -7.665 18 HB3 ALA 23 HB3 ALA 23 5.299 -5.020 -6.410 19 H THR 24 HN THR 24 4.402 -2.420 -9.152 20 HA THR 24 HA THR 24 1.939 -1.965 -10.457 21 HB THR 24 HB THR 24 4.776 -1.777 -11.576 22 HG1 THR 24 HG1 THR 24 4.973 -0.041 -10.404 23 HG21 THR 24 HG21 THR 24 3.858 -0.064 -13.107 24 HG22 THR 24 HG22 THR 24 2.236 -0.349 -12.472 25 HG23 THR 24 HG23 THR 24 3.072 -1.624 -13.364 26 H GLU 25 HN GLU 25 0.850 -3.126 -12.029 27 HA GLU 25 HA GLU 25 1.805 -5.711 -12.891 28 HB2 GLU 25 HB2 GLU 25 -0.625 -5.221 -12.600 29 HB3 GLU 25 HB1 GLU 25 -0.551 -4.081 -13.943 30 HG2 GLU 25 HG2 GLU 25 0.088 -5.945 -15.455 31 HG3 GLU 25 HG1 GLU 25 -0.035 -7.070 -14.099 32 H LEU 26 HN LEU 26 3.217 -6.002 -14.455 33 HA LEU 26 HA LEU 26 4.005 -3.820 -16.244 34 HB2 LEU 26 HB2 LEU 26 5.660 -5.168 -14.792 35 HB3 LEU 26 HB1 LEU 26 5.364 -6.520 -15.862 36 HG LEU 26 HG LEU 26 6.272 -5.178 -17.774 37 HD11 LEU 26 HD11 LEU 26 6.950 -3.103 -15.661 38 HD12 LEU 26 HD12 LEU 26 5.763 -2.917 -16.956 39 HD13 LEU 26 HD13 LEU 26 7.471 -3.080 -17.348 40 HD21 LEU 26 HD21 LEU 26 8.158 -5.414 -15.405 41 HD22 LEU 26 HD22 LEU 26 8.633 -5.297 -17.103 42 HD23 LEU 26 HD23 LEU 26 7.743 -6.709 -16.534 43 H THR 27 HN THR 27 3.491 -3.864 -18.357 44 HA THR 27 HA THR 27 1.610 -5.785 -19.359 45 HB THR 27 HB THR 27 1.795 -4.337 -21.485 46 HG1 THR 27 HG1 THR 27 3.899 -3.547 -21.125 47 HG21 THR 27 HG21 THR 27 1.160 -2.867 -18.892 48 HG22 THR 27 HG22 THR 27 0.037 -3.887 -19.797 49 HG23 THR 27 HG23 THR 27 0.636 -2.390 -20.510 50 HA PRO 28 HA PRO 28 3.861 -9.093 -21.034 51 HB2 PRO 28 HB2 PRO 28 2.976 -9.094 -23.772 52 HB3 PRO 28 HB1 PRO 28 2.291 -9.989 -22.414 53 HG2 PRO 28 HG2 PRO 28 1.477 -7.333 -23.557 54 HG3 PRO 28 HG1 PRO 28 0.462 -8.627 -22.887 55 HD2 PRO 28 HD2 PRO 28 0.897 -6.436 -21.468 56 HD3 PRO 28 HD1 PRO 28 0.953 -8.021 -20.655 57 H GLU 29 HN GLU 29 4.079 -6.466 -23.556 58 HA GLU 29 HA GLU 29 6.550 -7.441 -24.624 59 HB2 GLU 29 HB2 GLU 29 5.156 -6.031 -26.027 60 HB3 GLU 29 HB1 GLU 29 5.244 -4.707 -24.875 61 HG2 GLU 29 HG2 GLU 29 7.623 -4.405 -25.335 62 HG3 GLU 29 HG1 GLU 29 7.615 -5.795 -26.416 63 H GLN 30 HN GLN 30 5.789 -4.942 -22.212 64 HA GLN 30 HA GLN 30 8.468 -4.036 -21.825 65 HB2 GLN 30 HB2 GLN 30 6.027 -3.803 -20.029 66 HB3 GLN 30 HB1 GLN 30 7.557 -2.975 -19.739 67 HG2 GLN 30 HG2 GLN 30 5.694 -2.563 -22.102 68 HG3 GLN 30 HG1 GLN 30 5.965 -1.449 -20.761 69 HE21 GLN 30 HE21 GLN 30 7.967 -0.337 -20.636 70 HE22 GLN 30 HE22 GLN 30 8.984 -0.148 -22.018 71 H ALA 31 HN ALA 31 6.595 -6.646 -20.487 72 HA ALA 31 HA ALA 31 8.384 -7.448 -18.413 73 HB1 ALA 31 HB1 ALA 31 6.017 -8.116 -18.465 74 HB2 ALA 31 HB2 ALA 31 7.073 -9.529 -18.416 75 HB3 ALA 31 HB3 ALA 31 6.304 -9.053 -19.934 76 H ALA 32 HN ALA 32 7.954 -8.334 -21.811 77 HA ALA 32 HA ALA 32 10.031 -10.315 -21.923 78 HB1 ALA 32 HB1 ALA 32 8.101 -10.349 -23.451 79 HB2 ALA 32 HB2 ALA 32 9.616 -10.271 -24.352 80 HB3 ALA 32 HB3 ALA 32 8.625 -8.821 -24.161 81 H ALA 33 HN ALA 33 10.025 -6.884 -21.973 82 HA ALA 33 HA ALA 33 12.548 -6.537 -23.396 83 HB1 ALA 33 HB1 ALA 33 10.876 -4.523 -21.844 84 HB2 ALA 33 HB2 ALA 33 10.759 -4.842 -23.574 85 HB3 ALA 33 HB3 ALA 33 12.238 -4.151 -22.909 86 H LEU 34 HN LEU 34 11.336 -6.498 -20.063 87 HA LEU 34 HA LEU 34 13.985 -5.827 -18.973 88 HB2 LEU 34 HB2 LEU 34 11.278 -6.084 -17.600 89 HB3 LEU 34 HB1 LEU 34 12.769 -5.578 -16.811 90 HG LEU 34 HG LEU 34 11.288 -4.061 -19.001 91 HD11 LEU 34 HD11 LEU 34 11.640 -3.400 -16.056 92 HD12 LEU 34 HD12 LEU 34 10.151 -3.927 -16.847 93 HD13 LEU 34 HD13 LEU 34 10.859 -2.370 -17.264 94 HD21 LEU 34 HD21 LEU 34 13.869 -3.319 -17.576 95 HD22 LEU 34 HD22 LEU 34 12.959 -2.265 -18.663 96 HD23 LEU 34 HD23 LEU 34 13.688 -3.743 -19.281 97 H LYS 35 HN LYS 35 14.956 -7.078 -17.333 98 HA LYS 35 HA LYS 35 14.409 -9.959 -17.421 99 HB2 LYS 35 HB2 LYS 35 16.743 -9.263 -17.816 100 HB3 LYS 35 HB1 LYS 35 16.777 -8.412 -16.273 101 HG2 LYS 35 HG2 LYS 35 16.433 -10.603 -15.109 102 HG3 LYS 35 HG1 LYS 35 16.508 -11.414 -16.676 103 HD2 LYS 35 HD2 LYS 35 18.824 -10.655 -16.974 104 HD3 LYS 35 HD1 LYS 35 18.745 -9.757 -15.456 105 HE2 LYS 35 HE2 LYS 35 19.937 -11.860 -15.126 106 HE3 LYS 35 HE1 LYS 35 18.421 -11.890 -14.229 107 HZ1 LYS 35 HZ1 LYS 35 18.860 -13.969 -15.383 108 HZ2 LYS 35 HZ2 LYS 35 18.867 -13.172 -16.873 109 HZ3 LYS 35 HZ3 LYS 35 17.446 -13.244 -15.958 110 HA PRO 36 HA PRO 36 12.685 -9.540 -13.192 111 HB2 PRO 36 HB2 PRO 36 11.952 -12.143 -12.861 112 HB3 PRO 36 HB1 PRO 36 11.012 -11.016 -13.851 113 HG2 PRO 36 HG2 PRO 36 13.002 -13.104 -14.720 114 HG3 PRO 36 HG1 PRO 36 11.424 -12.700 -15.429 115 HD2 PRO 36 HD2 PRO 36 13.813 -11.800 -16.451 116 HD3 PRO 36 HD1 PRO 36 12.280 -10.917 -16.629 117 H TYR 37 HN TYR 37 13.729 -9.782 -11.229 118 HA TYR 37 HA TYR 37 16.326 -11.097 -11.212 119 HB2 TYR 37 HB2 TYR 37 16.690 -10.088 -9.026 120 HB3 TYR 37 HB1 TYR 37 16.098 -8.873 -10.144 121 HD1 TYR 37 HD1 TYR 37 13.773 -7.966 -9.883 122 HD2 TYR 37 HD2 TYR 37 15.412 -10.688 -7.028 123 HE1 TYR 37 HE1 TYR 37 12.057 -7.301 -8.262 124 HE2 TYR 37 HE2 TYR 37 13.680 -10.034 -5.414 125 HH TYR 37 HH TYR 37 12.227 -8.112 -4.968 126 H ASP 38 HN ASP 38 13.123 -11.873 -10.346 127 HA ASP 38 HA ASP 38 13.827 -14.475 -9.303 128 HB2 ASP 38 HB2 ASP 38 14.031 -12.860 -7.302 129 HB3 ASP 38 HB1 ASP 38 12.310 -12.557 -7.464 130 H ARG 39 HN ARG 39 11.613 -15.610 -8.662 131 HA ARG 39 HA ARG 39 9.286 -14.552 -10.121 132 HB2 ARG 39 HB2 ARG 39 10.262 -16.040 -11.762 133 HB3 ARG 39 HB1 ARG 39 10.547 -17.289 -10.550 134 HG2 ARG 39 HG2 ARG 39 8.113 -17.632 -10.317 135 HG3 ARG 39 HG1 ARG 39 7.818 -16.373 -11.518 136 HD2 ARG 39 HD2 ARG 39 9.435 -18.866 -12.124 137 HD3 ARG 39 HD1 ARG 39 7.683 -18.795 -12.325 138 HE ARG 39 HE ARG 39 8.796 -16.625 -13.684 139 HH11 ARG 39 HH11 ARG 39 8.841 -20.131 -13.973 140 HH12 ARG 39 HH12 ARG 39 8.910 -20.089 -15.702 141 HH21 ARG 39 HH21 ARG 39 8.855 -16.597 -15.917 142 HH22 ARG 39 HH22 ARG 39 8.913 -18.084 -16.809 143 H ILE 40 HN ILE 40 7.628 -14.556 -8.788 144 HA ILE 40 HA ILE 40 7.525 -16.277 -6.403 145 HB ILE 40 HB ILE 40 5.696 -14.793 -5.647 146 HG12 ILE 40 HG12 ILE 40 6.117 -13.316 -8.295 147 HG13 ILE 40 HG11 ILE 40 4.692 -14.250 -7.859 148 HG21 ILE 40 HG21 ILE 40 7.020 -12.737 -5.313 149 HG22 ILE 40 HG22 ILE 40 8.125 -13.227 -6.600 150 HG23 ILE 40 HG23 ILE 40 8.024 -14.174 -5.115 151 HD11 ILE 40 HD11 ILE 40 5.617 -11.699 -6.553 152 HD12 ILE 40 HD12 ILE 40 4.192 -12.635 -6.088 153 HD13 ILE 40 HD13 ILE 40 4.279 -11.889 -7.682 154 H VAL 41 HN VAL 41 5.353 -17.157 -5.817 155 HA VAL 41 HA VAL 41 3.511 -17.776 -7.984 156 HB VAL 41 HB VAL 41 5.162 -19.552 -8.293 157 HG11 VAL 41 HG11 VAL 41 5.747 -21.201 -6.539 158 HG12 VAL 41 HG12 VAL 41 4.797 -20.290 -5.363 159 HG13 VAL 41 HG13 VAL 41 6.236 -19.565 -6.083 160 HG21 VAL 41 HG21 VAL 41 2.671 -20.670 -6.948 161 HG22 VAL 41 HG22 VAL 41 3.730 -21.552 -8.050 162 HG23 VAL 41 HG23 VAL 41 2.804 -20.169 -8.636 163 H ILE 42 HN ILE 42 1.484 -17.830 -7.225 164 HA ILE 42 HA ILE 42 0.933 -18.686 -4.442 165 HB ILE 42 HB ILE 42 -1.139 -17.313 -4.465 166 HG12 ILE 42 HG12 ILE 42 -0.094 -16.084 -7.061 167 HG13 ILE 42 HG11 ILE 42 -1.429 -17.226 -6.966 168 HG21 ILE 42 HG21 ILE 42 1.357 -15.642 -4.940 169 HG22 ILE 42 HG22 ILE 42 0.871 -16.371 -3.409 170 HG23 ILE 42 HG23 ILE 42 -0.112 -15.093 -4.126 171 HD11 ILE 42 HD11 ILE 42 -2.704 -15.606 -5.636 172 HD12 ILE 42 HD12 ILE 42 -2.244 -14.979 -7.218 173 HD13 ILE 42 HD13 ILE 42 -1.370 -14.458 -5.779 174 H THR 43 HN THR 43 -1.100 -19.862 -4.218 175 HA THR 43 HA THR 43 -2.364 -21.012 -6.599 176 HB THR 43 HB THR 43 -1.068 -22.829 -4.494 177 HG1 THR 43 HG1 THR 43 -0.081 -21.795 -6.882 178 HG21 THR 43 HG21 THR 43 -1.554 -24.661 -6.079 179 HG22 THR 43 HG22 THR 43 -2.325 -23.516 -7.180 180 HG23 THR 43 HG23 THR 43 -3.047 -23.843 -5.603 181 H GLY 44 HN GLY 44 -4.457 -21.914 -6.076 182 HA2 GLY 44 HA2 GLY 44 -5.561 -22.740 -3.772 183 HA3 GLY 44 HA1 GLY 44 -5.629 -20.991 -3.565 184 H ARG 45 HN ARG 45 -7.839 -22.872 -3.764 185 HA ARG 45 HA ARG 45 -9.152 -22.039 -6.263 186 HB2 ARG 45 HB2 ARG 45 -10.862 -23.681 -5.806 187 HB3 ARG 45 HB1 ARG 45 -9.289 -24.446 -5.599 188 HG2 ARG 45 HG2 ARG 45 -9.508 -24.243 -3.159 189 HG3 ARG 45 HG1 ARG 45 -11.076 -23.457 -3.358 190 HD2 ARG 45 HD2 ARG 45 -11.863 -25.563 -4.534 191 HD3 ARG 45 HD1 ARG 45 -10.341 -26.322 -4.045 192 HE ARG 45 HE ARG 45 -12.604 -25.604 -2.352 193 HH11 ARG 45 HH11 ARG 45 -9.268 -26.744 -2.399 194 HH12 ARG 45 HH12 ARG 45 -9.338 -27.350 -0.779 195 HH21 ARG 45 HH21 ARG 45 -12.657 -26.366 -0.235 196 HH22 ARG 45 HH22 ARG 45 -11.263 -27.135 0.450 197 H PHE 46 HN PHE 46 -8.661 -20.694 -3.364 198 HA PHE 46 HA PHE 46 -11.310 -19.377 -3.192 199 HB2 PHE 46 HB2 PHE 46 -9.045 -19.462 -1.142 200 HB3 PHE 46 HB1 PHE 46 -10.579 -18.627 -0.924 201 HD1 PHE 46 HD2 PHE 46 -8.918 -21.915 -1.016 202 HD2 PHE 46 HD1 PHE 46 -12.637 -19.878 -0.477 203 HE1 PHE 46 HE2 PHE 46 -9.907 -23.959 -0.071 204 HE2 PHE 46 HE1 PHE 46 -13.618 -21.929 0.467 205 HZ PHE 46 HZ PHE 46 -12.253 -23.967 0.669 206 H ASN 47 HN ASN 47 -10.697 -18.223 -5.152 207 HA ASN 47 HA ASN 47 -9.715 -15.606 -4.698 208 HB2 ASN 47 HB2 ASN 47 -7.789 -15.708 -6.404 209 HB3 ASN 47 HB1 ASN 47 -7.458 -16.438 -4.837 210 HD21 ASN 47 HD21 ASN 47 -5.745 -17.622 -5.884 211 HD22 ASN 47 HD22 ASN 47 -6.087 -19.035 -6.820 212 H ALA 48 HN ALA 48 -9.837 -14.278 -6.638 213 HA ALA 48 HA ALA 48 -11.349 -15.423 -8.917 214 HB1 ALA 48 HB1 ALA 48 -12.747 -13.829 -7.633 215 HB2 ALA 48 HB2 ALA 48 -12.365 -13.192 -9.235 216 HB3 ALA 48 HB3 ALA 48 -11.506 -12.581 -7.819 217 H ILE 49 HN ILE 49 -10.941 -13.840 -10.950 218 HA ILE 49 HA ILE 49 -8.208 -14.043 -11.616 219 HB ILE 49 HB ILE 49 -9.865 -14.078 -13.400 220 HG12 ILE 49 HG12 ILE 49 -8.858 -12.443 -15.043 221 HG13 ILE 49 HG11 ILE 49 -8.019 -11.657 -13.714 222 HG21 ILE 49 HG21 ILE 49 -10.478 -11.188 -12.745 223 HG22 ILE 49 HG22 ILE 49 -11.539 -12.573 -12.484 224 HG23 ILE 49 HG23 ILE 49 -11.117 -12.085 -14.127 225 HD11 ILE 49 HD11 ILE 49 -6.542 -13.104 -14.968 226 HD12 ILE 49 HD12 ILE 49 -7.593 -14.487 -14.670 227 HD13 ILE 49 HD13 ILE 49 -6.741 -13.719 -13.327 228 H GLY 50 HN GLY 50 -10.120 -11.243 -10.586 229 HA2 GLY 50 HA2 GLY 50 -8.041 -9.301 -10.768 230 HA3 GLY 50 HA1 GLY 50 -9.558 -9.131 -9.900 231 H ASP 51 HN ASP 51 -9.286 -11.305 -8.127 232 HA ASP 51 HA ASP 51 -7.760 -10.031 -6.040 233 HB2 ASP 51 HB2 ASP 51 -9.338 -12.632 -6.035 234 HB3 ASP 51 HB1 ASP 51 -8.603 -11.917 -4.600 235 H ALA 52 HN ALA 52 -7.206 -12.716 -8.186 236 HA ALA 52 HA ALA 52 -4.993 -13.888 -6.768 237 HB1 ALA 52 HB1 ALA 52 -4.545 -15.097 -8.873 238 HB2 ALA 52 HB2 ALA 52 -5.744 -14.107 -9.708 239 HB3 ALA 52 HB3 ALA 52 -6.248 -15.209 -8.424 240 H VAL 53 HN VAL 53 -5.360 -11.591 -9.477 241 HA VAL 53 HA VAL 53 -2.619 -10.952 -9.785 242 HB VAL 53 HB VAL 53 -5.087 -9.288 -10.457 243 HG11 VAL 53 HG11 VAL 53 -3.122 -7.809 -10.273 244 HG12 VAL 53 HG12 VAL 53 -3.624 -7.965 -11.957 245 HG13 VAL 53 HG13 VAL 53 -2.214 -8.853 -11.371 246 HG21 VAL 53 HG21 VAL 53 -4.982 -11.431 -11.686 247 HG22 VAL 53 HG22 VAL 53 -3.352 -11.047 -12.243 248 HG23 VAL 53 HG23 VAL 53 -4.721 -10.069 -12.779 249 H SER 54 HN SER 54 -5.110 -9.780 -7.581 250 HA SER 54 HA SER 54 -3.718 -7.544 -6.497 251 HB2 SER 54 HB2 SER 54 -6.164 -7.800 -6.253 252 HB3 SER 54 HB1 SER 54 -5.931 -9.242 -5.265 253 HG SER 54 HG SER 54 -5.563 -8.021 -3.599 254 H ALA 55 HN ALA 55 -3.893 -10.964 -5.567 255 HA ALA 55 HA ALA 55 -2.386 -10.687 -3.132 256 HB1 ALA 55 HB1 ALA 55 -3.087 -13.176 -4.724 257 HB2 ALA 55 HB2 ALA 55 -4.047 -12.476 -3.419 258 HB3 ALA 55 HB3 ALA 55 -2.454 -13.151 -3.072 259 H VAL 56 HN VAL 56 -1.617 -11.561 -6.481 260 HA VAL 56 HA VAL 56 1.082 -12.408 -5.861 261 HB VAL 56 HB VAL 56 -0.439 -13.345 -7.739 262 HG11 VAL 56 HG11 VAL 56 0.600 -10.980 -9.284 263 HG12 VAL 56 HG12 VAL 56 -1.072 -11.264 -8.814 264 HG13 VAL 56 HG13 VAL 56 -0.285 -12.353 -9.956 265 HG21 VAL 56 HG21 VAL 56 1.463 -13.974 -9.169 266 HG22 VAL 56 HG22 VAL 56 1.886 -14.071 -7.458 267 HG23 VAL 56 HG23 VAL 56 2.444 -12.707 -8.426 268 H SER 57 HN SER 57 -0.487 -9.441 -7.012 269 HA SER 57 HA SER 57 1.921 -7.988 -7.581 270 HB2 SER 57 HB2 SER 57 0.516 -5.942 -7.421 271 HB3 SER 57 HB1 SER 57 -0.264 -7.176 -8.412 272 HG SER 57 HG SER 57 -1.580 -7.682 -6.645 273 H ARG 58 HN ARG 58 -0.136 -8.393 -4.722 274 HA ARG 58 HA ARG 58 1.154 -6.752 -2.885 275 HB2 ARG 58 HB2 ARG 58 -0.962 -7.786 -2.278 276 HB3 ARG 58 HB1 ARG 58 -0.277 -9.405 -2.432 277 HG2 ARG 58 HG2 ARG 58 1.277 -8.846 -0.526 278 HG3 ARG 58 HG1 ARG 58 0.408 -7.323 -0.333 279 HD2 ARG 58 HD2 ARG 58 -1.608 -8.489 0.304 280 HD3 ARG 58 HD1 ARG 58 -0.890 -10.053 -0.115 281 HE ARG 58 HE ARG 58 0.823 -9.472 1.682 282 HH11 ARG 58 HH11 ARG 58 -2.527 -8.455 1.911 283 HH12 ARG 58 HH12 ARG 58 -2.508 -8.374 3.641 284 HH21 ARG 58 HH21 ARG 58 0.856 -9.364 3.918 285 HH22 ARG 58 HH22 ARG 58 -0.568 -8.902 4.789 286 H ARG 59 HN ARG 59 1.781 -10.159 -3.716 287 HA ARG 59 HA ARG 59 3.860 -10.578 -1.858 288 HB2 ARG 59 HB2 ARG 59 2.642 -12.455 -2.941 289 HB3 ARG 59 HB1 ARG 59 3.392 -12.056 -4.483 290 HG2 ARG 59 HG2 ARG 59 4.532 -13.957 -3.441 291 HG3 ARG 59 HG1 ARG 59 5.620 -12.570 -3.554 292 HD2 ARG 59 HD2 ARG 59 4.933 -12.051 -1.117 293 HD3 ARG 59 HD1 ARG 59 4.235 -13.678 -1.096 294 HE ARG 59 HE ARG 59 7.013 -13.500 -1.947 295 HH11 ARG 59 HH11 ARG 59 4.849 -14.077 0.753 296 HH12 ARG 59 HH12 ARG 59 6.091 -14.752 1.751 297 HH21 ARG 59 HH21 ARG 59 8.621 -14.353 -0.627 298 HH22 ARG 59 HH22 ARG 59 8.230 -14.916 0.968 299 H ALA 60 HN ALA 60 3.910 -9.546 -5.257 300 HA ALA 60 HA ALA 60 6.701 -9.407 -5.641 301 HB1 ALA 60 HB1 ALA 60 4.520 -7.718 -6.907 302 HB2 ALA 60 HB2 ALA 60 5.081 -9.290 -7.480 303 HB3 ALA 60 HB3 ALA 60 6.169 -7.901 -7.522 304 H ASP 61 HN ASP 61 4.418 -7.139 -4.206 305 HA ASP 61 HA ASP 61 6.193 -4.916 -3.854 306 HB2 ASP 61 HB2 ASP 61 3.717 -4.704 -3.899 307 HB3 ASP 61 HB1 ASP 61 3.600 -5.645 -2.421 308 H GLU 62 HN GLU 62 5.342 -7.760 -1.944 309 HA GLU 62 HA GLU 62 6.798 -7.007 0.445 310 HB2 GLU 62 HB2 GLU 62 5.586 -9.674 -0.441 311 HB3 GLU 62 HB1 GLU 62 6.274 -9.378 1.159 312 HG2 GLU 62 HG2 GLU 62 4.580 -7.697 1.622 313 HG3 GLU 62 HG1 GLU 62 3.939 -7.835 -0.011 314 H GLU 63 HN GLU 63 7.573 -8.514 -2.581 315 HA GLU 63 HA GLU 63 10.159 -9.553 -1.777 316 HB2 GLU 63 HB2 GLU 63 9.016 -8.995 -4.557 317 HB3 GLU 63 HB1 GLU 63 10.562 -9.786 -4.249 318 HG2 GLU 63 HG2 GLU 63 7.822 -10.833 -3.498 319 HG3 GLU 63 HG1 GLU 63 8.842 -11.408 -4.812 320 H GLY 64 HN GLY 64 8.842 -6.513 -2.806 321 HA2 GLY 64 HA2 GLY 64 9.917 -4.428 -2.568 322 HA3 GLY 64 HA1 GLY 64 11.485 -5.212 -2.672 323 H ALA 65 HN ALA 65 9.493 -6.488 -5.030 324 HA ALA 65 HA ALA 65 10.926 -5.389 -7.224 325 HB1 ALA 65 HB1 ALA 65 8.317 -6.962 -7.223 326 HB2 ALA 65 HB2 ALA 65 9.942 -7.655 -7.261 327 HB3 ALA 65 HB3 ALA 65 9.368 -6.685 -8.618 328 H ALA 66 HN ALA 66 10.413 -3.818 -8.646 329 HA ALA 66 HA ALA 66 8.552 -1.745 -8.032 330 HB1 ALA 66 HB1 ALA 66 9.266 -0.785 -10.201 331 HB2 ALA 66 HB2 ALA 66 10.075 -2.306 -10.608 332 HB3 ALA 66 HB3 ALA 66 10.650 -1.333 -9.254 333 H SER 67 HN SER 67 8.578 -4.498 -10.209 334 HA SER 67 HA SER 67 5.731 -4.204 -10.821 335 HB2 SER 67 HB2 SER 67 7.877 -4.452 -12.984 336 HB3 SER 67 HB1 SER 67 6.131 -4.451 -13.250 337 HG SER 67 HG SER 67 6.548 -2.271 -11.927 338 H PHE 68 HN PHE 68 4.995 -6.137 -12.155 339 HA PHE 68 HA PHE 68 6.593 -8.577 -11.992 340 HB2 PHE 68 HB2 PHE 68 5.036 -9.871 -10.712 341 HB3 PHE 68 HB1 PHE 68 5.192 -8.372 -9.803 342 HD1 PHE 68 HD2 PHE 68 3.352 -6.576 -10.120 343 HD2 PHE 68 HD1 PHE 68 2.898 -10.610 -11.464 344 HE1 PHE 68 HE2 PHE 68 0.917 -6.263 -10.280 345 HE2 PHE 68 HE1 PHE 68 0.475 -10.274 -11.630 346 HZ PHE 68 HZ PHE 68 -0.519 -8.121 -11.029 347 H TYR 69 HN TYR 69 5.571 -10.319 -13.303 348 HA TYR 69 HA TYR 69 3.220 -9.618 -14.894 349 HB2 TYR 69 HB2 TYR 69 5.045 -8.921 -16.363 350 HB3 TYR 69 HB1 TYR 69 5.881 -10.450 -16.130 351 HD1 TYR 69 HD1 TYR 69 2.576 -9.129 -17.375 352 HD2 TYR 69 HD2 TYR 69 5.603 -12.122 -17.794 353 HE1 TYR 69 HE1 TYR 69 1.407 -10.042 -19.331 354 HE2 TYR 69 HE2 TYR 69 4.430 -13.033 -19.753 355 HH TYR 69 HH TYR 69 2.202 -13.069 -20.714 356 H VAL 70 HN VAL 70 1.861 -11.260 -14.795 357 HA VAL 70 HA VAL 70 2.524 -13.846 -13.790 358 HB VAL 70 HB VAL 70 -0.024 -12.944 -15.220 359 HG11 VAL 70 HG11 VAL 70 0.196 -15.397 -15.204 360 HG12 VAL 70 HG12 VAL 70 -1.096 -14.887 -14.118 361 HG13 VAL 70 HG13 VAL 70 0.464 -15.382 -13.457 362 HG21 VAL 70 HG21 VAL 70 0.411 -11.581 -13.202 363 HG22 VAL 70 HG22 VAL 70 0.560 -13.045 -12.227 364 HG23 VAL 70 HG23 VAL 70 -0.990 -12.629 -12.963 365 H VAL 71 HN VAL 71 3.478 -15.421 -14.905 366 HA VAL 71 HA VAL 71 3.736 -15.236 -17.817 367 HB VAL 71 HB VAL 71 5.802 -15.459 -16.513 368 HG11 VAL 71 HG11 VAL 71 6.376 -17.493 -15.247 369 HG12 VAL 71 HG12 VAL 71 4.760 -18.140 -15.531 370 HG13 VAL 71 HG13 VAL 71 4.966 -16.682 -14.557 371 HG21 VAL 71 HG21 VAL 71 5.800 -16.402 -18.787 372 HG22 VAL 71 HG22 VAL 71 5.273 -17.965 -18.158 373 HG23 VAL 71 HG23 VAL 71 6.864 -17.330 -17.728 374 H ASP 72 HN ASP 72 2.295 -17.267 -15.323 375 HA ASP 72 HA ASP 72 0.872 -18.820 -17.347 376 HB2 ASP 72 HB2 ASP 72 2.982 -20.091 -16.948 377 HB3 ASP 72 HB1 ASP 72 2.611 -20.174 -15.242 378 H THR 73 HN THR 73 -1.108 -19.340 -16.706 379 HA THR 73 HA THR 73 -1.804 -19.623 -13.854 380 HB THR 73 HB THR 73 -4.137 -18.780 -14.494 381 HG1 THR 73 HG1 THR 73 -4.270 -17.532 -16.413 382 HG21 THR 73 HG21 THR 73 -1.897 -16.746 -14.783 383 HG22 THR 73 HG22 THR 73 -2.572 -17.316 -13.255 384 HG23 THR 73 HG23 THR 73 -3.575 -16.385 -14.369 385 H SER 74 HN SER 74 -2.106 -21.759 -13.630 386 HA SER 74 HA SER 74 -3.873 -23.227 -15.465 387 HB2 SER 74 HB2 SER 74 -1.518 -23.651 -16.281 388 HB3 SER 74 HB1 SER 74 -1.120 -24.325 -14.699 389 HG SER 74 HG SER 74 -3.238 -25.290 -16.332 390 H GLU 75 HN GLU 75 -5.126 -24.742 -14.390 391 HA GLU 75 HA GLU 75 -5.023 -24.595 -11.488 392 HB2 GLU 75 HB2 GLU 75 -7.283 -25.330 -11.424 393 HB3 GLU 75 HB1 GLU 75 -7.169 -24.152 -12.725 394 HG2 GLU 75 HG2 GLU 75 -7.148 -25.957 -14.383 395 HG3 GLU 75 HG1 GLU 75 -7.216 -27.162 -13.099 396 H PHE 76 HN PHE 76 -5.419 -26.359 -10.181 397 HA PHE 76 HA PHE 76 -4.478 -29.006 -11.030 398 HB2 PHE 76 HB2 PHE 76 -3.217 -27.295 -8.836 399 HB3 PHE 76 HB1 PHE 76 -2.957 -29.027 -8.960 400 HD1 PHE 76 HD1 PHE 76 -1.943 -29.925 -11.177 401 HD2 PHE 76 HD2 PHE 76 -1.807 -25.802 -10.043 402 HE1 PHE 76 HE1 PHE 76 -0.099 -29.544 -12.759 403 HE2 PHE 76 HE2 PHE 76 0.041 -25.430 -11.629 404 HZ PHE 76 HZ PHE 76 0.894 -27.300 -12.989 405 H GLY 77 HN GLY 77 -4.492 -30.328 -8.717 406 HA2 GLY 77 HA2 GLY 77 -5.820 -31.382 -7.190 407 HA3 GLY 77 HA1 GLY 77 -6.465 -29.799 -6.775 408 H ASN 78 HN ASN 78 -8.417 -29.175 -7.596 409 HA ASN 78 HA ASN 78 -9.747 -30.252 -9.845 410 HB2 ASN 78 HB2 ASN 78 -10.111 -32.224 -8.345 411 HB3 ASN 78 HB1 ASN 78 -10.863 -31.174 -7.146 412 HD21 ASN 78 HD21 ASN 78 -12.852 -32.210 -7.186 413 HD22 ASN 78 HD22 ASN 78 -13.918 -32.180 -8.544 414 H SER 79 HN SER 79 -10.915 -28.556 -10.533 415 HA SER 79 HA SER 79 -12.425 -26.904 -10.686 416 HB2 SER 79 HB2 SER 79 -13.308 -27.755 -7.900 417 HB3 SER 79 HB1 SER 79 -14.223 -26.713 -8.993 418 HG SER 79 HG SER 79 -13.402 -29.167 -10.021 419 H GLY 80 HN GLY 80 -10.659 -25.390 -10.750 420 HA2 GLY 80 HA2 GLY 80 -10.443 -23.111 -10.492 421 HA3 GLY 80 HA1 GLY 80 -11.409 -23.176 -9.037 422 H ASN 81 HN ASN 81 -8.890 -25.395 -8.658 423 HA ASN 81 HA ASN 81 -7.321 -23.642 -6.978 424 HB2 ASN 81 HB2 ASN 81 -7.658 -26.053 -6.422 425 HB3 ASN 81 HB1 ASN 81 -6.780 -26.502 -7.869 426 HD21 ASN 81 HD21 ASN 81 -5.140 -27.602 -6.839 427 HD22 ASN 81 HD22 ASN 81 -3.983 -26.853 -5.802 428 H TRP 82 HN TRP 82 -7.010 -22.131 -8.965 429 HA TRP 82 HA TRP 82 -5.062 -23.090 -10.904 430 HB2 TRP 82 HB2 TRP 82 -5.491 -21.049 -12.207 431 HB3 TRP 82 HB1 TRP 82 -6.946 -21.986 -11.906 432 HD1 TRP 82 HD1 TRP 82 -8.270 -20.911 -9.489 433 HE1 TRP 82 HE1 TRP 82 -8.950 -18.447 -9.190 434 HE3 TRP 82 HE3 TRP 82 -5.116 -18.808 -12.877 435 HZ2 TRP 82 HZ2 TRP 82 -8.245 -15.960 -10.254 436 HZ3 TRP 82 HZ3 TRP 82 -5.180 -16.367 -13.189 437 HH2 TRP 82 HH2 TRP 82 -6.709 -14.983 -11.902 438 H ARG 83 HN ARG 83 -3.119 -23.069 -10.460 439 HA ARG 83 HA ARG 83 -1.699 -21.431 -8.645 440 HB2 ARG 83 HB2 ARG 83 -1.053 -23.734 -9.237 441 HB3 ARG 83 HB1 ARG 83 -0.802 -23.274 -10.909 442 HG2 ARG 83 HG2 ARG 83 0.860 -22.068 -8.685 443 HG3 ARG 83 HG1 ARG 83 1.253 -23.642 -9.371 444 HD2 ARG 83 HD2 ARG 83 1.282 -20.936 -10.742 445 HD3 ARG 83 HD1 ARG 83 2.626 -22.058 -10.508 446 HE ARG 83 HE ARG 83 0.568 -22.131 -12.566 447 HH11 ARG 83 HH11 ARG 83 3.205 -23.927 -11.053 448 HH12 ARG 83 HH12 ARG 83 3.322 -25.055 -12.367 449 HH21 ARG 83 HH21 ARG 83 0.759 -23.609 -14.253 450 HH22 ARG 83 HH22 ARG 83 1.927 -24.888 -14.160 451 H VAL 84 HN VAL 84 -1.365 -19.343 -8.963 452 HA VAL 84 HA VAL 84 -0.979 -18.198 -11.660 453 HB VAL 84 HB VAL 84 -1.435 -16.736 -9.013 454 HG11 VAL 84 HG11 VAL 84 -1.674 -15.714 -11.869 455 HG12 VAL 84 HG12 VAL 84 -0.390 -15.315 -10.723 456 HG13 VAL 84 HG13 VAL 84 -2.045 -14.792 -10.407 457 HG21 VAL 84 HG21 VAL 84 -3.374 -18.161 -9.470 458 HG22 VAL 84 HG22 VAL 84 -3.518 -17.480 -11.093 459 HG23 VAL 84 HG23 VAL 84 -3.787 -16.462 -9.683 460 H VAL 85 HN VAL 85 1.159 -18.322 -12.150 461 HA VAL 85 HA VAL 85 3.151 -17.621 -10.072 462 HB VAL 85 HB VAL 85 3.388 -19.924 -10.915 463 HG11 VAL 85 HG11 VAL 85 3.896 -18.740 -13.657 464 HG12 VAL 85 HG12 VAL 85 2.498 -19.701 -13.178 465 HG13 VAL 85 HG13 VAL 85 4.101 -20.436 -13.206 466 HG21 VAL 85 HG21 VAL 85 5.382 -18.743 -10.143 467 HG22 VAL 85 HG22 VAL 85 5.679 -18.131 -11.770 468 HG23 VAL 85 HG23 VAL 85 5.794 -19.861 -11.445 469 H ALA 86 HN ALA 86 4.509 -15.951 -10.427 470 HA ALA 86 HA ALA 86 4.352 -14.443 -12.949 471 HB1 ALA 86 HB1 ALA 86 3.908 -12.352 -11.728 472 HB2 ALA 86 HB2 ALA 86 3.812 -13.243 -10.204 473 HB3 ALA 86 HB3 ALA 86 2.609 -13.518 -11.464 474 H ASP 87 HN ASP 87 6.262 -13.608 -13.525 475 HA ASP 87 HA ASP 87 8.633 -13.765 -11.903 476 HB2 ASP 87 HB2 ASP 87 8.028 -12.386 -14.554 477 HB3 ASP 87 HB1 ASP 87 9.633 -12.478 -13.842 478 H VAL 88 HN VAL 88 9.713 -12.023 -10.866 479 HA VAL 88 HA VAL 88 8.197 -9.487 -10.626 480 HB VAL 88 HB VAL 88 9.174 -9.190 -8.370 481 HG11 VAL 88 HG11 VAL 88 7.658 -11.799 -8.690 482 HG12 VAL 88 HG12 VAL 88 6.951 -10.182 -8.608 483 HG13 VAL 88 HG13 VAL 88 7.784 -10.850 -7.203 484 HG21 VAL 88 HG21 VAL 88 11.234 -10.537 -8.565 485 HG22 VAL 88 HG22 VAL 88 10.275 -12.018 -8.637 486 HG23 VAL 88 HG23 VAL 88 10.280 -11.037 -7.167 487 H TYR 89 HN TYR 89 9.190 -7.643 -11.096 488 HA TYR 89 HA TYR 89 11.874 -7.817 -12.318 489 HB2 TYR 89 HB2 TYR 89 9.485 -6.045 -13.025 490 HB3 TYR 89 HB1 TYR 89 11.054 -5.986 -13.825 491 HD1 TYR 89 HD1 TYR 89 8.121 -8.222 -13.188 492 HD2 TYR 89 HD2 TYR 89 11.532 -7.477 -15.646 493 HE1 TYR 89 HE1 TYR 89 7.374 -9.966 -14.748 494 HE2 TYR 89 HE2 TYR 89 10.784 -9.221 -17.207 495 HH TYR 89 HH TYR 89 9.382 -11.190 -17.258 496 H LYS 90 HN LYS 90 13.366 -6.284 -11.855 497 HA LYS 90 HA LYS 90 12.989 -4.736 -9.402 498 HB2 LYS 90 HB2 LYS 90 14.977 -6.407 -10.089 499 HB3 LYS 90 HB1 LYS 90 15.627 -4.989 -10.885 500 HG2 LYS 90 HG2 LYS 90 14.891 -5.002 -7.943 501 HG3 LYS 90 HG1 LYS 90 16.466 -5.559 -8.513 502 HD2 LYS 90 HD2 LYS 90 15.312 -2.771 -8.942 503 HD3 LYS 90 HD1 LYS 90 16.504 -3.209 -7.715 504 HE2 LYS 90 HE2 LYS 90 16.928 -3.449 -10.721 505 HE3 LYS 90 HE1 LYS 90 17.526 -2.129 -9.710 506 HZ1 LYS 90 HZ1 LYS 90 18.274 -4.989 -9.406 507 HZ2 LYS 90 HZ2 LYS 90 18.870 -3.703 -8.487 508 HZ3 LYS 90 HZ3 LYS 90 19.229 -3.797 -10.134 509 H ALA 91 HN ALA 91 13.461 -2.472 -9.303 510 HA ALA 91 HA ALA 91 12.734 -0.915 -11.598 511 HB1 ALA 91 HB1 ALA 91 13.772 0.006 -8.890 512 HB2 ALA 91 HB2 ALA 91 12.084 -0.262 -9.311 513 HB3 ALA 91 HB3 ALA 91 12.985 1.026 -10.102 Start of MODEL 17 1 H HIS 21 HT1 HIS 21 -0.975 2.178 -3.003 2 HA HIS 21 HA HIS 21 -0.742 0.586 -4.771 3 HB2 HIS 21 HB2 HIS 21 -0.186 2.954 -5.216 4 HB3 HIS 21 HB1 HIS 21 1.477 2.681 -4.710 5 HD1 HIS 21 HD1 HIS 21 3.085 1.969 -6.498 6 HD2 HIS 21 HD2 HIS 21 -0.876 1.471 -7.667 7 HE1 HIS 21 HE1 HIS 21 3.175 1.313 -8.918 8 HE2 HIS 21 HE2 HIS 21 0.769 1.088 -9.621 9 H ALA 22 HN ALA 22 -0.067 -1.468 -4.771 10 HA ALA 22 HA ALA 22 2.582 -2.287 -3.846 11 HB1 ALA 22 HB1 ALA 22 0.314 -3.932 -5.039 12 HB2 ALA 22 HB2 ALA 22 0.595 -3.662 -3.318 13 HB3 ALA 22 HB3 ALA 22 1.770 -4.568 -4.269 14 H ALA 23 HN ALA 23 3.273 -4.329 -5.575 15 HA ALA 23 HA ALA 23 4.529 -3.049 -7.755 16 HB1 ALA 23 HB1 ALA 23 5.197 -5.320 -8.454 17 HB2 ALA 23 HB2 ALA 23 4.049 -6.009 -7.301 18 HB3 ALA 23 HB3 ALA 23 5.429 -5.077 -6.720 19 H THR 24 HN THR 24 3.913 -2.742 -9.831 20 HA THR 24 HA THR 24 1.088 -3.056 -10.496 21 HB THR 24 HB THR 24 3.329 -1.719 -12.091 22 HG1 THR 24 HG1 THR 24 2.226 -1.018 -9.744 23 HG21 THR 24 HG21 THR 24 1.276 -2.115 -13.428 24 HG22 THR 24 HG22 THR 24 1.510 -0.396 -13.113 25 HG23 THR 24 HG23 THR 24 0.306 -1.306 -12.194 26 H GLU 25 HN GLU 25 0.287 -4.201 -12.335 27 HA GLU 25 HA GLU 25 1.683 -6.439 -13.339 28 HB2 GLU 25 HB2 GLU 25 -0.792 -6.277 -13.412 29 HB3 GLU 25 HB1 GLU 25 -0.684 -4.963 -14.581 30 HG2 GLU 25 HG2 GLU 25 0.418 -6.548 -16.187 31 HG3 GLU 25 HG1 GLU 25 0.175 -7.849 -15.020 32 H LEU 26 HN LEU 26 3.303 -6.474 -14.745 33 HA LEU 26 HA LEU 26 3.983 -4.161 -16.404 34 HB2 LEU 26 HB2 LEU 26 5.656 -5.496 -14.926 35 HB3 LEU 26 HB1 LEU 26 5.533 -6.769 -16.124 36 HG LEU 26 HG LEU 26 6.397 -5.155 -17.861 37 HD11 LEU 26 HD11 LEU 26 6.849 -3.310 -15.490 38 HD12 LEU 26 HD12 LEU 26 5.711 -3.048 -16.816 39 HD13 LEU 26 HD13 LEU 26 7.444 -3.057 -17.133 40 HD21 LEU 26 HD21 LEU 26 7.932 -6.736 -16.763 41 HD22 LEU 26 HD22 LEU 26 8.229 -5.571 -15.469 42 HD23 LEU 26 HD23 LEU 26 8.741 -5.209 -17.120 43 H THR 27 HN THR 27 3.400 -4.142 -18.543 44 HA THR 27 HA THR 27 1.876 -6.259 -19.687 45 HB THR 27 HB THR 27 1.995 -4.828 -21.815 46 HG1 THR 27 HG1 THR 27 2.958 -2.681 -20.339 47 HG21 THR 27 HG21 THR 27 1.037 -3.404 -19.303 48 HG22 THR 27 HG22 THR 27 0.106 -4.580 -20.235 49 HG23 THR 27 HG23 THR 27 0.552 -3.036 -20.959 50 HA PRO 28 HA PRO 28 4.779 -9.091 -21.574 51 HB2 PRO 28 HB2 PRO 28 3.199 -8.484 -24.095 52 HB3 PRO 28 HB1 PRO 28 3.755 -10.048 -23.471 53 HG2 PRO 28 HG2 PRO 28 1.229 -9.283 -23.100 54 HG3 PRO 28 HG1 PRO 28 2.113 -10.110 -21.799 55 HD2 PRO 28 HD2 PRO 28 1.355 -7.218 -22.026 56 HD3 PRO 28 HD1 PRO 28 1.576 -8.220 -20.578 57 H GLU 29 HN GLU 29 4.176 -6.065 -23.298 58 HA GLU 29 HA GLU 29 6.393 -6.153 -25.061 59 HB2 GLU 29 HB2 GLU 29 4.284 -4.728 -25.300 60 HB3 GLU 29 HB1 GLU 29 4.957 -3.651 -24.086 61 HG2 GLU 29 HG2 GLU 29 5.345 -2.772 -26.325 62 HG3 GLU 29 HG1 GLU 29 6.873 -3.165 -25.540 63 H GLN 30 HN GLN 30 5.858 -4.492 -21.963 64 HA GLN 30 HA GLN 30 8.457 -3.301 -21.775 65 HB2 GLN 30 HB2 GLN 30 6.460 -3.823 -19.534 66 HB3 GLN 30 HB1 GLN 30 7.772 -2.646 -19.518 67 HG2 GLN 30 HG2 GLN 30 5.308 -2.555 -21.292 68 HG3 GLN 30 HG1 GLN 30 5.566 -1.597 -19.838 69 HE21 GLN 30 HE21 GLN 30 6.957 0.160 -19.908 70 HE22 GLN 30 HE22 GLN 30 7.549 0.828 -21.388 71 H ALA 31 HN ALA 31 6.963 -6.259 -20.638 72 HA ALA 31 HA ALA 31 9.011 -7.144 -18.856 73 HB1 ALA 31 HB1 ALA 31 6.662 -7.860 -18.635 74 HB2 ALA 31 HB2 ALA 31 7.742 -9.247 -18.781 75 HB3 ALA 31 HB3 ALA 31 6.773 -8.731 -20.168 76 H ALA 32 HN ALA 32 8.513 -7.402 -22.295 77 HA ALA 32 HA ALA 32 10.261 -9.575 -22.880 78 HB1 ALA 32 HB1 ALA 32 10.188 -8.731 -25.197 79 HB2 ALA 32 HB2 ALA 32 9.439 -7.233 -24.631 80 HB3 ALA 32 HB3 ALA 32 8.576 -8.764 -24.478 81 H ALA 33 HN ALA 33 10.703 -6.090 -22.559 82 HA ALA 33 HA ALA 33 13.465 -6.060 -23.420 83 HB1 ALA 33 HB1 ALA 33 11.989 -4.146 -23.840 84 HB2 ALA 33 HB2 ALA 33 13.371 -3.671 -22.852 85 HB3 ALA 33 HB3 ALA 33 11.787 -3.901 -22.104 86 H LEU 34 HN LEU 34 11.716 -5.954 -20.333 87 HA LEU 34 HA LEU 34 14.142 -5.580 -18.759 88 HB2 LEU 34 HB2 LEU 34 11.238 -5.944 -17.926 89 HB3 LEU 34 HB1 LEU 34 12.559 -5.657 -16.800 90 HG LEU 34 HG LEU 34 11.589 -3.719 -18.946 91 HD11 LEU 34 HD11 LEU 34 10.022 -3.877 -17.082 92 HD12 LEU 34 HD12 LEU 34 10.834 -2.314 -17.077 93 HD13 LEU 34 HD13 LEU 34 11.320 -3.564 -15.926 94 HD21 LEU 34 HD21 LEU 34 13.811 -3.348 -16.902 95 HD22 LEU 34 HD22 LEU 34 13.176 -2.096 -17.972 96 HD23 LEU 34 HD23 LEU 34 14.006 -3.490 -18.652 97 H LYS 35 HN LYS 35 14.401 -7.015 -16.785 98 HA LYS 35 HA LYS 35 13.996 -9.878 -17.392 99 HB2 LYS 35 HB2 LYS 35 16.286 -9.148 -18.029 100 HB3 LYS 35 HB1 LYS 35 16.538 -8.507 -16.409 101 HG2 LYS 35 HG2 LYS 35 16.436 -10.765 -15.466 102 HG3 LYS 35 HG1 LYS 35 16.070 -11.435 -17.058 103 HD2 LYS 35 HD2 LYS 35 18.435 -11.779 -16.526 104 HD3 LYS 35 HD1 LYS 35 18.261 -10.677 -17.894 105 HE2 LYS 35 HE2 LYS 35 18.704 -8.750 -16.444 106 HE3 LYS 35 HE1 LYS 35 18.770 -9.803 -15.029 107 HZ1 LYS 35 HZ1 LYS 35 20.689 -10.911 -16.001 108 HZ2 LYS 35 HZ2 LYS 35 20.970 -9.258 -15.788 109 HZ3 LYS 35 HZ3 LYS 35 20.636 -9.864 -17.329 110 HA PRO 36 HA PRO 36 12.710 -9.725 -13.007 111 HB2 PRO 36 HB2 PRO 36 12.074 -12.329 -12.645 112 HB3 PRO 36 HB1 PRO 36 11.075 -11.270 -13.655 113 HG2 PRO 36 HG2 PRO 36 13.190 -13.254 -14.498 114 HG3 PRO 36 HG1 PRO 36 11.561 -13.008 -15.167 115 HD2 PRO 36 HD2 PRO 36 13.818 -11.936 -16.307 116 HD3 PRO 36 HD1 PRO 36 12.219 -11.170 -16.428 117 H TYR 37 HN TYR 37 13.686 -10.120 -11.045 118 HA TYR 37 HA TYR 37 16.353 -11.379 -11.023 119 HB2 TYR 37 HB2 TYR 37 16.756 -10.178 -8.948 120 HB3 TYR 37 HB1 TYR 37 16.114 -9.042 -10.123 121 HD1 TYR 37 HD1 TYR 37 13.604 -8.425 -9.953 122 HD2 TYR 37 HD2 TYR 37 15.692 -10.428 -6.801 123 HE1 TYR 37 HE1 TYR 37 11.861 -7.750 -8.361 124 HE2 TYR 37 HE2 TYR 37 13.939 -9.747 -5.217 125 HH TYR 37 HH TYR 37 12.235 -8.010 -5.000 126 H ASP 38 HN ASP 38 13.147 -12.010 -10.191 127 HA ASP 38 HA ASP 38 13.697 -14.479 -8.823 128 HB2 ASP 38 HB2 ASP 38 13.908 -12.780 -6.974 129 HB3 ASP 38 HB1 ASP 38 12.286 -12.207 -7.331 130 H ARG 39 HN ARG 39 11.389 -15.416 -8.138 131 HA ARG 39 HA ARG 39 9.220 -14.575 -9.925 132 HB2 ARG 39 HB2 ARG 39 10.824 -16.342 -11.008 133 HB3 ARG 39 HB1 ARG 39 10.169 -17.476 -9.834 134 HG2 ARG 39 HG2 ARG 39 7.883 -17.037 -10.801 135 HG3 ARG 39 HG1 ARG 39 8.655 -16.028 -12.029 136 HD2 ARG 39 HD2 ARG 39 10.149 -18.260 -12.339 137 HD3 ARG 39 HD1 ARG 39 8.669 -19.004 -11.725 138 HE ARG 39 HE ARG 39 8.354 -17.145 -13.947 139 HH11 ARG 39 HH11 ARG 39 8.538 -20.512 -12.966 140 HH12 ARG 39 HH12 ARG 39 8.121 -21.113 -14.534 141 HH21 ARG 39 HH21 ARG 39 7.869 -17.949 -16.004 142 HH22 ARG 39 HH22 ARG 39 7.749 -19.661 -16.251 143 H ILE 40 HN ILE 40 7.437 -14.492 -8.617 144 HA ILE 40 HA ILE 40 7.288 -16.125 -6.173 145 HB ILE 40 HB ILE 40 5.235 -14.841 -5.627 146 HG12 ILE 40 HG12 ILE 40 5.729 -13.376 -8.271 147 HG13 ILE 40 HG11 ILE 40 4.352 -14.407 -7.895 148 HG21 ILE 40 HG21 ILE 40 6.302 -12.634 -5.236 149 HG22 ILE 40 HG22 ILE 40 7.590 -13.056 -6.368 150 HG23 ILE 40 HG23 ILE 40 7.399 -13.967 -4.871 151 HD11 ILE 40 HD11 ILE 40 5.004 -11.789 -6.547 152 HD12 ILE 40 HD12 ILE 40 3.598 -12.810 -6.219 153 HD13 ILE 40 HD13 ILE 40 3.793 -12.050 -7.795 154 H VAL 41 HN VAL 41 5.508 -17.495 -5.726 155 HA VAL 41 HA VAL 41 3.862 -18.458 -7.945 156 HB VAL 41 HB VAL 41 5.909 -19.745 -8.249 157 HG11 VAL 41 HG11 VAL 41 6.920 -19.540 -6.021 158 HG12 VAL 41 HG12 VAL 41 6.883 -21.228 -6.535 159 HG13 VAL 41 HG13 VAL 41 5.712 -20.640 -5.353 160 HG21 VAL 41 HG21 VAL 41 3.764 -21.481 -6.980 161 HG22 VAL 41 HG22 VAL 41 5.047 -22.054 -8.049 162 HG23 VAL 41 HG23 VAL 41 3.824 -20.942 -8.660 163 H ILE 42 HN ILE 42 1.852 -18.652 -7.156 164 HA ILE 42 HA ILE 42 1.401 -19.445 -4.328 165 HB ILE 42 HB ILE 42 -0.526 -17.881 -4.185 166 HG12 ILE 42 HG12 ILE 42 0.432 -16.730 -6.853 167 HG13 ILE 42 HG11 ILE 42 -0.994 -17.742 -6.663 168 HG21 ILE 42 HG21 ILE 42 0.742 -15.772 -3.933 169 HG22 ILE 42 HG22 ILE 42 2.083 -16.467 -4.847 170 HG23 ILE 42 HG23 ILE 42 1.635 -17.150 -3.281 171 HD11 ILE 42 HD11 ILE 42 -1.592 -15.415 -6.849 172 HD12 ILE 42 HD12 ILE 42 -0.591 -15.011 -5.455 173 HD13 ILE 42 HD13 ILE 42 -2.020 -16.030 -5.254 174 H THR 43 HN THR 43 -0.559 -20.523 -3.900 175 HA THR 43 HA THR 43 -2.090 -21.611 -6.196 176 HB THR 43 HB THR 43 -2.634 -23.532 -4.495 177 HG1 THR 43 HG1 THR 43 -1.064 -23.853 -2.897 178 HG21 THR 43 HG21 THR 43 0.180 -23.338 -5.621 179 HG22 THR 43 HG22 THR 43 -1.245 -23.899 -6.499 180 HG23 THR 43 HG23 THR 43 -0.641 -24.819 -5.121 181 H GLY 44 HN GLY 44 -3.991 -20.607 -6.276 182 HA2 GLY 44 HA2 GLY 44 -5.236 -19.517 -3.832 183 HA3 GLY 44 HA1 GLY 44 -5.583 -19.050 -5.490 184 H ARG 45 HN ARG 45 -6.406 -21.192 -2.918 185 HA ARG 45 HA ARG 45 -8.084 -22.980 -4.442 186 HB2 ARG 45 HB2 ARG 45 -7.852 -22.487 -1.446 187 HB3 ARG 45 HB1 ARG 45 -8.981 -23.640 -2.137 188 HG2 ARG 45 HG2 ARG 45 -7.089 -24.856 -1.347 189 HG3 ARG 45 HG1 ARG 45 -7.046 -24.891 -3.109 190 HD2 ARG 45 HD2 ARG 45 -4.812 -24.554 -2.168 191 HD3 ARG 45 HD1 ARG 45 -5.311 -23.153 -3.115 192 HE ARG 45 HE ARG 45 -6.018 -22.327 -0.709 193 HH11 ARG 45 HH11 ARG 45 -3.043 -23.957 -1.624 194 HH12 ARG 45 HH12 ARG 45 -2.109 -23.167 -0.399 195 HH21 ARG 45 HH21 ARG 45 -4.767 -21.295 0.860 196 HH22 ARG 45 HH22 ARG 45 -3.079 -21.656 0.993 197 H PHE 46 HN PHE 46 -9.576 -21.835 -5.584 198 HA PHE 46 HA PHE 46 -11.590 -20.969 -6.078 199 HB2 PHE 46 HB2 PHE 46 -12.171 -21.311 -3.108 200 HB3 PHE 46 HB1 PHE 46 -13.380 -20.850 -4.298 201 HD1 PHE 46 HD1 PHE 46 -14.182 -22.495 -5.980 202 HD2 PHE 46 HD2 PHE 46 -11.415 -23.630 -2.922 203 HE1 PHE 46 HE1 PHE 46 -14.673 -24.869 -6.404 204 HE2 PHE 46 HE2 PHE 46 -11.908 -26.000 -3.357 205 HZ PHE 46 HZ PHE 46 -13.540 -26.622 -5.099 206 H ASN 47 HN ASN 47 -10.856 -18.975 -6.791 207 HA ASN 47 HA ASN 47 -11.829 -16.667 -5.396 208 HB2 ASN 47 HB2 ASN 47 -9.743 -15.435 -5.103 209 HB3 ASN 47 HB1 ASN 47 -9.621 -16.962 -4.242 210 HD21 ASN 47 HD21 ASN 47 -8.370 -18.674 -5.249 211 HD22 ASN 47 HD22 ASN 47 -7.060 -18.266 -6.299 212 H ALA 48 HN ALA 48 -11.461 -14.657 -6.654 213 HA ALA 48 HA ALA 48 -11.709 -15.135 -9.526 214 HB1 ALA 48 HB1 ALA 48 -12.102 -12.590 -7.906 215 HB2 ALA 48 HB2 ALA 48 -13.376 -13.710 -8.391 216 HB3 ALA 48 HB3 ALA 48 -12.495 -12.795 -9.617 217 H ILE 49 HN ILE 49 -10.658 -13.438 -10.987 218 HA ILE 49 HA ILE 49 -7.860 -13.682 -10.826 219 HB ILE 49 HB ILE 49 -9.032 -13.461 -12.995 220 HG12 ILE 49 HG12 ILE 49 -7.412 -11.951 -14.151 221 HG13 ILE 49 HG11 ILE 49 -6.953 -11.245 -12.607 222 HG21 ILE 49 HG21 ILE 49 -9.480 -10.551 -12.253 223 HG22 ILE 49 HG22 ILE 49 -10.724 -11.795 -12.399 224 HG23 ILE 49 HG23 ILE 49 -9.826 -11.277 -13.827 225 HD11 ILE 49 HD11 ILE 49 -6.504 -14.116 -13.431 226 HD12 ILE 49 HD12 ILE 49 -5.994 -13.382 -11.906 227 HD13 ILE 49 HD13 ILE 49 -5.298 -12.831 -13.430 228 H GLY 50 HN GLY 50 -10.016 -11.059 -9.858 229 HA2 GLY 50 HA2 GLY 50 -8.131 -9.021 -9.392 230 HA3 GLY 50 HA1 GLY 50 -9.685 -9.178 -8.595 231 H ASP 51 HN ASP 51 -9.208 -11.681 -7.340 232 HA ASP 51 HA ASP 51 -7.858 -10.890 -4.945 233 HB2 ASP 51 HB2 ASP 51 -9.823 -12.435 -5.005 234 HB3 ASP 51 HB1 ASP 51 -8.832 -13.657 -5.787 235 H ALA 52 HN ALA 52 -7.132 -13.203 -7.549 236 HA ALA 52 HA ALA 52 -4.695 -14.233 -6.639 237 HB1 ALA 52 HB1 ALA 52 -4.292 -14.865 -8.991 238 HB2 ALA 52 HB2 ALA 52 -5.598 -13.790 -9.506 239 HB3 ALA 52 HB3 ALA 52 -5.955 -15.205 -8.513 240 H VAL 53 HN VAL 53 -5.276 -11.541 -8.889 241 HA VAL 53 HA VAL 53 -2.629 -10.679 -9.244 242 HB VAL 53 HB VAL 53 -5.277 -9.213 -9.627 243 HG11 VAL 53 HG11 VAL 53 -3.537 -7.502 -9.323 244 HG12 VAL 53 HG12 VAL 53 -4.064 -7.546 -11.005 245 HG13 VAL 53 HG13 VAL 53 -2.529 -8.285 -10.542 246 HG21 VAL 53 HG21 VAL 53 -3.401 -10.517 -11.638 247 HG22 VAL 53 HG22 VAL 53 -4.907 -9.680 -12.028 248 HG23 VAL 53 HG23 VAL 53 -4.946 -11.172 -11.086 249 H SER 54 HN SER 54 -5.051 -9.873 -6.799 250 HA SER 54 HA SER 54 -3.726 -7.683 -5.577 251 HB2 SER 54 HB2 SER 54 -6.103 -8.168 -5.149 252 HB3 SER 54 HB1 SER 54 -5.677 -9.688 -4.365 253 HG SER 54 HG SER 54 -4.718 -7.174 -3.465 254 H ALA 55 HN ALA 55 -3.609 -11.188 -4.994 255 HA ALA 55 HA ALA 55 -1.811 -11.123 -2.772 256 HB1 ALA 55 HB1 ALA 55 -2.436 -13.394 -4.694 257 HB2 ALA 55 HB2 ALA 55 -3.307 -13.038 -3.204 258 HB3 ALA 55 HB3 ALA 55 -1.623 -13.558 -3.129 259 H VAL 56 HN VAL 56 -1.407 -11.500 -6.262 260 HA VAL 56 HA VAL 56 1.364 -12.123 -6.300 261 HB VAL 56 HB VAL 56 -0.499 -11.087 -8.490 262 HG11 VAL 56 HG11 VAL 56 1.828 -10.481 -9.058 263 HG12 VAL 56 HG12 VAL 56 1.205 -11.726 -10.138 264 HG13 VAL 56 HG13 VAL 56 2.321 -12.161 -8.842 265 HG21 VAL 56 HG21 VAL 56 -0.435 -13.415 -9.320 266 HG22 VAL 56 HG22 VAL 56 -1.039 -13.347 -7.665 267 HG23 VAL 56 HG23 VAL 56 0.616 -13.872 -7.974 268 H SER 57 HN SER 57 -0.437 -9.075 -6.562 269 HA SER 57 HA SER 57 1.757 -7.417 -7.307 270 HB2 SER 57 HB2 SER 57 0.207 -5.521 -6.735 271 HB3 SER 57 HB1 SER 57 -0.519 -6.709 -7.822 272 HG SER 57 HG SER 57 -2.034 -6.867 -6.397 273 H ARG 58 HN ARG 58 0.069 -8.026 -4.243 274 HA ARG 58 HA ARG 58 1.562 -6.314 -2.590 275 HB2 ARG 58 HB2 ARG 58 -0.596 -7.311 -1.889 276 HB3 ARG 58 HB1 ARG 58 0.143 -8.909 -1.842 277 HG2 ARG 58 HG2 ARG 58 1.656 -8.139 -0.026 278 HG3 ARG 58 HG1 ARG 58 0.887 -6.551 -0.068 279 HD2 ARG 58 HD2 ARG 58 -1.254 -7.566 0.612 280 HD3 ARG 58 HD1 ARG 58 -0.502 -9.166 0.617 281 HE ARG 58 HE ARG 58 1.054 -8.130 2.374 282 HH11 ARG 58 HH11 ARG 58 -2.324 -7.184 2.065 283 HH12 ARG 58 HH12 ARG 58 -2.496 -6.828 3.755 284 HH21 ARG 58 HH21 ARG 58 0.799 -7.647 4.580 285 HH22 ARG 58 HH22 ARG 58 -0.738 -7.096 5.169 286 H ARG 59 HN ARG 59 1.924 -9.802 -3.292 287 HA ARG 59 HA ARG 59 4.096 -10.229 -1.539 288 HB2 ARG 59 HB2 ARG 59 2.632 -12.063 -2.324 289 HB3 ARG 59 HB1 ARG 59 3.282 -11.898 -3.950 290 HG2 ARG 59 HG2 ARG 59 4.242 -13.820 -2.667 291 HG3 ARG 59 HG1 ARG 59 5.460 -12.681 -3.242 292 HD2 ARG 59 HD2 ARG 59 5.908 -13.440 -0.933 293 HD3 ARG 59 HD1 ARG 59 5.654 -11.699 -1.010 294 HE ARG 59 HE ARG 59 3.309 -12.199 -0.224 295 HH11 ARG 59 HH11 ARG 59 5.958 -14.362 0.620 296 HH12 ARG 59 HH12 ARG 59 5.207 -14.876 2.098 297 HH21 ARG 59 HH21 ARG 59 2.352 -12.895 1.704 298 HH22 ARG 59 HH22 ARG 59 3.164 -14.063 2.699 299 H ALA 60 HN ALA 60 3.980 -9.553 -5.038 300 HA ALA 60 HA ALA 60 6.709 -9.734 -5.656 301 HB1 ALA 60 HB1 ALA 60 6.205 -8.238 -7.564 302 HB2 ALA 60 HB2 ALA 60 4.642 -7.845 -6.839 303 HB3 ALA 60 HB3 ALA 60 4.974 -9.491 -7.379 304 H ASP 61 HN ASP 61 4.799 -6.993 -4.467 305 HA ASP 61 HA ASP 61 6.859 -5.054 -4.312 306 HB2 ASP 61 HB2 ASP 61 4.388 -4.575 -4.311 307 HB3 ASP 61 HB1 ASP 61 4.279 -5.236 -2.689 308 H GLU 62 HN GLU 62 5.728 -7.556 -2.056 309 HA GLU 62 HA GLU 62 7.209 -6.751 0.247 310 HB2 GLU 62 HB2 GLU 62 6.022 -9.444 -0.539 311 HB3 GLU 62 HB1 GLU 62 6.822 -9.173 1.008 312 HG2 GLU 62 HG2 GLU 62 5.134 -7.501 1.614 313 HG3 GLU 62 HG1 GLU 62 4.354 -7.686 0.046 314 H GLU 63 HN GLU 63 8.017 -8.702 -2.578 315 HA GLU 63 HA GLU 63 10.531 -9.696 -1.567 316 HB2 GLU 63 HB2 GLU 63 9.768 -9.475 -4.513 317 HB3 GLU 63 HB1 GLU 63 10.920 -10.585 -3.776 318 HG2 GLU 63 HG2 GLU 63 7.902 -10.653 -3.560 319 HG3 GLU 63 HG1 GLU 63 8.924 -11.767 -4.451 320 H GLY 64 HN GLY 64 9.463 -6.707 -2.836 321 HA2 GLY 64 HA2 GLY 64 10.764 -4.722 -2.715 322 HA3 GLY 64 HA1 GLY 64 12.224 -5.660 -2.987 323 H ALA 65 HN ALA 65 9.461 -6.344 -4.948 324 HA ALA 65 HA ALA 65 10.810 -5.358 -7.345 325 HB1 ALA 65 HB1 ALA 65 9.170 -6.676 -8.599 326 HB2 ALA 65 HB2 ALA 65 8.285 -7.041 -7.114 327 HB3 ALA 65 HB3 ALA 65 9.920 -7.665 -7.344 328 H ALA 66 HN ALA 66 9.849 -4.051 -8.861 329 HA ALA 66 HA ALA 66 8.012 -1.995 -7.915 330 HB1 ALA 66 HB1 ALA 66 10.087 -1.336 -9.062 331 HB2 ALA 66 HB2 ALA 66 8.680 -0.829 -9.998 332 HB3 ALA 66 HB3 ALA 66 9.606 -2.253 -10.494 333 H SER 67 HN SER 67 8.117 -4.718 -10.081 334 HA SER 67 HA SER 67 5.283 -4.513 -10.722 335 HB2 SER 67 HB2 SER 67 7.460 -4.541 -12.867 336 HB3 SER 67 HB1 SER 67 5.749 -4.837 -13.191 337 HG SER 67 HG SER 67 5.695 -2.638 -11.894 338 H PHE 68 HN PHE 68 4.492 -6.478 -11.792 339 HA PHE 68 HA PHE 68 6.176 -8.898 -11.513 340 HB2 PHE 68 HB2 PHE 68 4.219 -10.176 -10.777 341 HB3 PHE 68 HB1 PHE 68 4.486 -8.835 -9.676 342 HD1 PHE 68 HD1 PHE 68 2.255 -10.151 -12.353 343 HD2 PHE 68 HD2 PHE 68 2.800 -7.085 -9.415 344 HE1 PHE 68 HE1 PHE 68 -0.101 -9.496 -12.593 345 HE2 PHE 68 HE2 PHE 68 0.436 -6.443 -9.671 346 HZ PHE 68 HZ PHE 68 -1.010 -7.644 -11.251 347 H TYR 69 HN TYR 69 4.954 -10.745 -12.797 348 HA TYR 69 HA TYR 69 3.488 -9.915 -15.146 349 HB2 TYR 69 HB2 TYR 69 5.799 -9.374 -15.846 350 HB3 TYR 69 HB1 TYR 69 6.335 -10.992 -15.416 351 HD1 TYR 69 HD1 TYR 69 3.897 -9.244 -17.674 352 HD2 TYR 69 HD2 TYR 69 6.450 -12.627 -17.138 353 HE1 TYR 69 HE1 TYR 69 3.444 -9.950 -19.976 354 HE2 TYR 69 HE2 TYR 69 5.992 -13.338 -19.451 355 HH TYR 69 HH TYR 69 4.190 -13.008 -21.155 356 H VAL 70 HN VAL 70 1.909 -11.386 -14.667 357 HA VAL 70 HA VAL 70 2.318 -14.040 -13.762 358 HB VAL 70 HB VAL 70 -0.134 -12.935 -15.220 359 HG11 VAL 70 HG11 VAL 70 0.152 -15.414 -13.464 360 HG12 VAL 70 HG12 VAL 70 -0.105 -15.400 -15.209 361 HG13 VAL 70 HG13 VAL 70 -1.365 -14.802 -14.131 362 HG21 VAL 70 HG21 VAL 70 0.416 -13.086 -12.223 363 HG22 VAL 70 HG22 VAL 70 -1.099 -12.568 -12.966 364 HG23 VAL 70 HG23 VAL 70 0.365 -11.611 -13.195 365 H VAL 71 HN VAL 71 3.471 -15.427 -14.900 366 HA VAL 71 HA VAL 71 3.746 -15.165 -17.811 367 HB VAL 71 HB VAL 71 5.797 -15.203 -16.500 368 HG11 VAL 71 HG11 VAL 71 6.492 -17.123 -15.117 369 HG12 VAL 71 HG12 VAL 71 4.946 -17.919 -15.419 370 HG13 VAL 71 HG13 VAL 71 4.997 -16.407 -14.507 371 HG21 VAL 71 HG21 VAL 71 5.509 -17.818 -18.039 372 HG22 VAL 71 HG22 VAL 71 7.033 -17.048 -17.599 373 HG23 VAL 71 HG23 VAL 71 5.937 -16.248 -18.726 374 H ASP 72 HN ASP 72 2.595 -17.376 -15.357 375 HA ASP 72 HA ASP 72 1.268 -19.059 -17.336 376 HB2 ASP 72 HB2 ASP 72 3.499 -20.130 -17.035 377 HB3 ASP 72 HB1 ASP 72 3.264 -20.177 -15.310 378 H THR 73 HN THR 73 -0.529 -20.015 -16.531 379 HA THR 73 HA THR 73 -1.025 -20.125 -13.649 380 HB THR 73 HB THR 73 -3.114 -19.021 -15.598 381 HG1 THR 73 HG1 THR 73 -1.163 -17.742 -14.042 382 HG21 THR 73 HG21 THR 73 -4.330 -18.409 -13.542 383 HG22 THR 73 HG22 THR 73 -3.058 -19.142 -12.565 384 HG23 THR 73 HG23 THR 73 -4.058 -20.154 -13.610 385 H SER 74 HN SER 74 -1.530 -22.176 -13.228 386 HA SER 74 HA SER 74 -2.985 -23.845 -15.192 387 HB2 SER 74 HB2 SER 74 -0.530 -24.696 -13.573 388 HB3 SER 74 HB1 SER 74 -1.493 -25.753 -14.614 389 HG SER 74 HG SER 74 -0.160 -23.407 -15.505 390 H GLU 75 HN GLU 75 -4.729 -24.758 -14.296 391 HA GLU 75 HA GLU 75 -5.154 -24.558 -11.405 392 HB2 GLU 75 HB2 GLU 75 -6.801 -23.531 -12.962 393 HB3 GLU 75 HB1 GLU 75 -7.122 -25.114 -13.659 394 HG2 GLU 75 HG2 GLU 75 -8.068 -25.894 -11.537 395 HG3 GLU 75 HG1 GLU 75 -7.651 -24.366 -10.765 396 H PHE 76 HN PHE 76 -6.138 -26.303 -10.245 397 HA PHE 76 HA PHE 76 -4.967 -28.848 -10.596 398 HB2 PHE 76 HB2 PHE 76 -5.666 -27.789 -8.390 399 HB3 PHE 76 HB1 PHE 76 -7.338 -28.149 -8.807 400 HD1 PHE 76 HD2 PHE 76 -4.004 -29.813 -8.413 401 HD2 PHE 76 HD1 PHE 76 -8.250 -30.247 -8.109 402 HE1 PHE 76 HE2 PHE 76 -3.710 -32.066 -7.474 403 HE2 PHE 76 HE1 PHE 76 -7.940 -32.507 -7.174 404 HZ PHE 76 HZ PHE 76 -5.672 -33.417 -6.860 405 H GLY 77 HN GLY 77 -8.084 -27.494 -11.528 406 HA2 GLY 77 HA2 GLY 77 -9.414 -28.161 -13.315 407 HA3 GLY 77 HA1 GLY 77 -8.555 -29.692 -13.392 408 H ASN 78 HN ASN 78 -8.847 -30.885 -11.094 409 HA ASN 78 HA ASN 78 -11.572 -31.680 -10.818 410 HB2 ASN 78 HB2 ASN 78 -9.638 -33.212 -10.477 411 HB3 ASN 78 HB1 ASN 78 -9.134 -32.282 -9.080 412 HD21 ASN 78 HD21 ASN 78 -10.259 -32.530 -7.120 413 HD22 ASN 78 HD22 ASN 78 -11.371 -33.826 -6.856 414 H SER 79 HN SER 79 -9.816 -29.062 -9.521 415 HA SER 79 HA SER 79 -12.006 -28.327 -7.722 416 HB2 SER 79 HB2 SER 79 -10.333 -29.510 -6.278 417 HB3 SER 79 HB1 SER 79 -9.088 -28.366 -6.787 418 HG SER 79 HG SER 79 -11.279 -27.998 -5.088 419 H GLY 80 HN GLY 80 -11.719 -26.029 -6.961 420 HA2 GLY 80 HA2 GLY 80 -11.004 -24.267 -9.150 421 HA3 GLY 80 HA1 GLY 80 -11.768 -23.822 -7.633 422 H ASN 81 HN ASN 81 -8.989 -25.662 -7.069 423 HA ASN 81 HA ASN 81 -7.384 -23.450 -6.181 424 HB2 ASN 81 HB2 ASN 81 -7.239 -25.621 -5.009 425 HB3 ASN 81 HB1 ASN 81 -6.699 -26.411 -6.491 426 HD21 ASN 81 HD21 ASN 81 -4.742 -27.100 -5.589 427 HD22 ASN 81 HD22 ASN 81 -3.460 -26.016 -5.187 428 H TRP 82 HN TRP 82 -6.670 -22.137 -7.783 429 HA TRP 82 HA TRP 82 -5.312 -23.328 -10.123 430 HB2 TRP 82 HB2 TRP 82 -5.868 -21.258 -11.383 431 HB3 TRP 82 HB1 TRP 82 -7.286 -22.155 -10.880 432 HD1 TRP 82 HD1 TRP 82 -8.072 -20.974 -8.156 433 HE1 TRP 82 HE1 TRP 82 -8.746 -18.500 -7.913 434 HE3 TRP 82 HE3 TRP 82 -5.796 -19.117 -12.283 435 HZ2 TRP 82 HZ2 TRP 82 -8.369 -16.085 -9.300 436 HZ3 TRP 82 HZ3 TRP 82 -5.991 -16.721 -12.790 437 HH2 TRP 82 HH2 TRP 82 -7.250 -15.238 -11.324 438 H ARG 83 HN ARG 83 -3.271 -23.018 -10.317 439 HA ARG 83 HA ARG 83 -1.786 -21.496 -8.337 440 HB2 ARG 83 HB2 ARG 83 -1.302 -23.917 -8.967 441 HB3 ARG 83 HB1 ARG 83 -0.755 -23.353 -10.534 442 HG2 ARG 83 HG2 ARG 83 0.517 -22.514 -7.904 443 HG3 ARG 83 HG1 ARG 83 1.050 -23.906 -8.843 444 HD2 ARG 83 HD2 ARG 83 1.122 -20.992 -9.705 445 HD3 ARG 83 HD1 ARG 83 2.495 -22.001 -9.258 446 HE ARG 83 HE ARG 83 0.933 -22.139 -11.746 447 HH11 ARG 83 HH11 ARG 83 3.663 -23.374 -9.881 448 HH12 ARG 83 HH12 ARG 83 4.444 -24.034 -11.284 449 HH21 ARG 83 HH21 ARG 83 2.008 -22.998 -13.558 450 HH22 ARG 83 HH22 ARG 83 3.519 -23.822 -13.336 451 H VAL 84 HN VAL 84 -1.304 -19.457 -8.752 452 HA VAL 84 HA VAL 84 -0.840 -18.495 -11.512 453 HB VAL 84 HB VAL 84 -1.305 -16.852 -8.966 454 HG11 VAL 84 HG11 VAL 84 -1.283 -15.971 -11.879 455 HG12 VAL 84 HG12 VAL 84 -0.044 -15.613 -10.676 456 HG13 VAL 84 HG13 VAL 84 -1.664 -14.943 -10.494 457 HG21 VAL 84 HG21 VAL 84 -3.335 -18.141 -9.507 458 HG22 VAL 84 HG22 VAL 84 -3.312 -17.522 -11.161 459 HG23 VAL 84 HG23 VAL 84 -3.589 -16.421 -9.809 460 H VAL 85 HN VAL 85 1.299 -18.586 -12.031 461 HA VAL 85 HA VAL 85 3.309 -17.776 -10.007 462 HB VAL 85 HB VAL 85 3.658 -20.069 -10.909 463 HG11 VAL 85 HG11 VAL 85 4.419 -20.470 -13.192 464 HG12 VAL 85 HG12 VAL 85 4.126 -18.776 -13.595 465 HG13 VAL 85 HG13 VAL 85 2.776 -19.825 -13.157 466 HG21 VAL 85 HG21 VAL 85 5.596 -18.807 -10.081 467 HG22 VAL 85 HG22 VAL 85 5.873 -18.136 -11.688 468 HG23 VAL 85 HG23 VAL 85 6.072 -19.869 -11.408 469 H ALA 86 HN ALA 86 4.682 -16.100 -10.466 470 HA ALA 86 HA ALA 86 4.390 -14.589 -12.954 471 HB1 ALA 86 HB1 ALA 86 3.860 -12.504 -11.755 472 HB2 ALA 86 HB2 ALA 86 3.807 -13.379 -10.220 473 HB3 ALA 86 HB3 ALA 86 2.614 -13.723 -11.472 474 H ASP 87 HN ASP 87 6.345 -13.934 -13.586 475 HA ASP 87 HA ASP 87 8.676 -13.875 -11.919 476 HB2 ASP 87 HB2 ASP 87 8.119 -12.844 -14.728 477 HB3 ASP 87 HB1 ASP 87 9.699 -12.721 -13.972 478 H VAL 88 HN VAL 88 9.651 -12.098 -10.910 479 HA VAL 88 HA VAL 88 8.052 -9.595 -10.830 480 HB VAL 88 HB VAL 88 8.673 -9.288 -8.491 481 HG11 VAL 88 HG11 VAL 88 6.640 -10.570 -8.964 482 HG12 VAL 88 HG12 VAL 88 7.399 -11.158 -7.484 483 HG13 VAL 88 HG13 VAL 88 7.562 -12.077 -8.985 484 HG21 VAL 88 HG21 VAL 88 10.909 -10.351 -8.455 485 HG22 VAL 88 HG22 VAL 88 10.166 -11.942 -8.615 486 HG23 VAL 88 HG23 VAL 88 9.886 -10.978 -7.161 487 H TYR 89 HN TYR 89 9.032 -7.694 -11.085 488 HA TYR 89 HA TYR 89 11.893 -7.626 -11.879 489 HB2 TYR 89 HB2 TYR 89 9.549 -6.019 -13.048 490 HB3 TYR 89 HB1 TYR 89 11.218 -5.952 -13.588 491 HD1 TYR 89 HD1 TYR 89 8.445 -8.479 -13.189 492 HD2 TYR 89 HD2 TYR 89 11.742 -7.151 -15.556 493 HE1 TYR 89 HE1 TYR 89 7.905 -10.159 -14.892 494 HE2 TYR 89 HE2 TYR 89 11.193 -8.837 -17.258 495 HH TYR 89 HH TYR 89 10.015 -10.986 -17.417 496 H LYS 90 HN LYS 90 12.999 -6.288 -10.450 497 HA LYS 90 HA LYS 90 11.577 -4.262 -8.892 498 HB2 LYS 90 HB2 LYS 90 13.474 -4.087 -7.519 499 HB3 LYS 90 HB1 LYS 90 13.486 -5.780 -7.974 500 HG2 LYS 90 HG2 LYS 90 15.227 -3.612 -9.197 501 HG3 LYS 90 HG1 LYS 90 15.741 -4.759 -7.958 502 HD2 LYS 90 HD2 LYS 90 15.489 -6.626 -9.522 503 HD3 LYS 90 HD1 LYS 90 14.801 -5.553 -10.747 504 HE2 LYS 90 HE2 LYS 90 17.635 -5.405 -9.656 505 HE3 LYS 90 HE1 LYS 90 17.165 -6.046 -11.232 506 HZ1 LYS 90 HZ1 LYS 90 17.967 -3.780 -11.390 507 HZ2 LYS 90 HZ2 LYS 90 16.769 -3.245 -10.327 508 HZ3 LYS 90 HZ3 LYS 90 16.342 -3.865 -11.837 509 H ALA 91 HN ALA 91 12.638 -2.016 -8.742 510 HA ALA 91 HA ALA 91 13.026 -0.908 -11.412 511 HB1 ALA 91 HB1 ALA 91 12.895 0.451 -8.692 512 HB2 ALA 91 HB2 ALA 91 11.553 0.260 -9.821 513 HB3 ALA 91 HB3 ALA 91 12.925 1.278 -10.258 Start of MODEL 18 1 H HIS 21 HT1 HIS 21 3.508 -1.876 -1.488 2 HA HIS 21 HA HIS 21 0.867 -0.866 -0.601 3 HB2 HIS 21 HB2 HIS 21 2.590 -0.054 -2.991 4 HB3 HIS 21 HB1 HIS 21 0.978 0.570 -2.644 5 HD1 HIS 21 HD1 HIS 21 4.438 1.389 -2.190 6 HD2 HIS 21 HD2 HIS 21 0.965 1.978 0.030 7 HE1 HIS 21 HE1 HIS 21 4.975 3.241 -0.575 8 HE2 HIS 21 HE2 HIS 21 2.858 3.602 0.731 9 H ALA 22 HN ALA 22 2.354 -1.850 -3.658 10 HA ALA 22 HA ALA 22 1.189 -4.319 -4.152 11 HB1 ALA 22 HB1 ALA 22 -0.459 -2.036 -5.342 12 HB2 ALA 22 HB2 ALA 22 -1.011 -3.173 -4.110 13 HB3 ALA 22 HB3 ALA 22 -0.638 -3.751 -5.733 14 H ALA 23 HN ALA 23 2.780 -4.974 -5.522 15 HA ALA 23 HA ALA 23 4.494 -3.278 -6.955 16 HB1 ALA 23 HB1 ALA 23 5.387 -5.315 -8.003 17 HB2 ALA 23 HB2 ALA 23 3.990 -6.237 -7.433 18 HB3 ALA 23 HB3 ALA 23 5.130 -5.553 -6.274 19 H THR 24 HN THR 24 4.583 -2.641 -9.041 20 HA THR 24 HA THR 24 2.204 -2.082 -10.407 21 HB THR 24 HB THR 24 5.071 -1.947 -11.467 22 HG1 THR 24 HG1 THR 24 5.270 -0.116 -10.383 23 HG21 THR 24 HG21 THR 24 2.596 -0.388 -12.335 24 HG22 THR 24 HG22 THR 24 3.408 -1.642 -13.278 25 HG23 THR 24 HG23 THR 24 4.239 -0.127 -12.927 26 H GLU 25 HN GLU 25 1.012 -3.336 -11.714 27 HA GLU 25 HA GLU 25 1.799 -5.839 -12.812 28 HB2 GLU 25 HB2 GLU 25 -0.569 -5.233 -12.409 29 HB3 GLU 25 HB1 GLU 25 -0.466 -3.950 -13.611 30 HG2 GLU 25 HG2 GLU 25 -0.097 -5.645 -15.373 31 HG3 GLU 25 HG1 GLU 25 -0.207 -6.925 -14.166 32 H LEU 26 HN LEU 26 3.168 -6.120 -14.420 33 HA LEU 26 HA LEU 26 3.840 -3.888 -16.231 34 HB2 LEU 26 HB2 LEU 26 5.600 -4.950 -14.630 35 HB3 LEU 26 HB1 LEU 26 5.544 -6.349 -15.683 36 HG LEU 26 HG LEU 26 6.259 -4.855 -17.602 37 HD11 LEU 26 HD11 LEU 26 6.681 -2.792 -15.415 38 HD12 LEU 26 HD12 LEU 26 5.492 -2.703 -16.719 39 HD13 LEU 26 HD13 LEU 26 7.212 -2.648 -17.094 40 HD21 LEU 26 HD21 LEU 26 8.174 -4.969 -15.245 41 HD22 LEU 26 HD22 LEU 26 8.622 -4.742 -16.939 42 HD23 LEU 26 HD23 LEU 26 7.894 -6.261 -16.418 43 H THR 27 HN THR 27 3.199 -4.097 -18.272 44 HA THR 27 HA THR 27 1.730 -6.315 -19.257 45 HB THR 27 HB THR 27 1.716 -5.064 -21.420 46 HG1 THR 27 HG1 THR 27 2.998 -2.832 -20.570 47 HG21 THR 27 HG21 THR 27 1.278 -3.227 -19.021 48 HG22 THR 27 HG22 THR 27 0.092 -4.361 -19.675 49 HG23 THR 27 HG23 THR 27 0.623 -2.989 -20.646 50 HA PRO 28 HA PRO 28 4.794 -9.135 -20.991 51 HB2 PRO 28 HB2 PRO 28 3.681 -9.504 -23.586 52 HB3 PRO 28 HB1 PRO 28 3.296 -10.445 -22.143 53 HG2 PRO 28 HG2 PRO 28 1.847 -8.085 -23.321 54 HG3 PRO 28 HG1 PRO 28 1.182 -9.565 -22.599 55 HD2 PRO 28 HD2 PRO 28 1.171 -7.305 -21.208 56 HD3 PRO 28 HD1 PRO 28 1.602 -8.828 -20.395 57 H GLU 29 HN GLU 29 3.827 -6.346 -22.906 58 HA GLU 29 HA GLU 29 5.938 -6.257 -24.775 59 HB2 GLU 29 HB2 GLU 29 3.778 -5.013 -24.981 60 HB3 GLU 29 HB1 GLU 29 4.264 -3.966 -23.654 61 HG2 GLU 29 HG2 GLU 29 4.598 -2.831 -25.773 62 HG3 GLU 29 HG1 GLU 29 6.153 -3.130 -24.992 63 H GLN 30 HN GLN 30 5.468 -4.512 -21.689 64 HA GLN 30 HA GLN 30 8.062 -3.255 -21.707 65 HB2 GLN 30 HB2 GLN 30 5.980 -3.459 -19.500 66 HB3 GLN 30 HB1 GLN 30 7.399 -2.418 -19.461 67 HG2 GLN 30 HG2 GLN 30 5.012 -2.196 -21.316 68 HG3 GLN 30 HG1 GLN 30 5.450 -1.096 -20.011 69 HE21 GLN 30 HE21 GLN 30 7.353 0.215 -20.275 70 HE22 GLN 30 HE22 GLN 30 7.928 0.617 -21.852 71 H ALA 31 HN ALA 31 6.745 -6.193 -20.481 72 HA ALA 31 HA ALA 31 8.707 -6.819 -18.488 73 HB1 ALA 31 HB1 ALA 31 7.648 -9.043 -18.484 74 HB2 ALA 31 HB2 ALA 31 6.742 -8.624 -19.942 75 HB3 ALA 31 HB3 ALA 31 6.433 -7.763 -18.433 76 H ALA 32 HN ALA 32 8.216 -7.565 -21.903 77 HA ALA 32 HA ALA 32 10.477 -9.265 -22.277 78 HB1 ALA 32 HB1 ALA 32 8.958 -7.581 -24.303 79 HB2 ALA 32 HB2 ALA 32 8.571 -9.236 -23.838 80 HB3 ALA 32 HB3 ALA 32 10.079 -8.897 -24.686 81 H ALA 33 HN ALA 33 9.969 -5.797 -22.293 82 HA ALA 33 HA ALA 33 12.517 -5.061 -23.424 83 HB1 ALA 33 HB1 ALA 33 10.487 -3.399 -21.899 84 HB2 ALA 33 HB2 ALA 33 10.532 -3.639 -23.648 85 HB3 ALA 33 HB3 ALA 33 11.843 -2.775 -22.847 86 H LEU 34 HN LEU 34 11.669 -6.253 -20.382 87 HA LEU 34 HA LEU 34 14.167 -5.219 -19.165 88 HB2 LEU 34 HB2 LEU 34 11.530 -5.840 -17.762 89 HB3 LEU 34 HB1 LEU 34 13.035 -5.468 -16.930 90 HG LEU 34 HG LEU 34 11.472 -3.559 -18.723 91 HD11 LEU 34 HD11 LEU 34 11.819 -3.546 -15.705 92 HD12 LEU 34 HD12 LEU 34 10.345 -3.939 -16.594 93 HD13 LEU 34 HD13 LEU 34 10.998 -2.307 -16.663 94 HD21 LEU 34 HD21 LEU 34 14.017 -3.050 -17.141 95 HD22 LEU 34 HD22 LEU 34 13.071 -1.824 -17.994 96 HD23 LEU 34 HD23 LEU 34 13.867 -3.108 -18.900 97 H LYS 35 HN LYS 35 15.108 -6.694 -17.553 98 HA LYS 35 HA LYS 35 14.645 -9.567 -18.114 99 HB2 LYS 35 HB2 LYS 35 16.913 -8.822 -18.743 100 HB3 LYS 35 HB1 LYS 35 17.164 -8.137 -17.144 101 HG2 LYS 35 HG2 LYS 35 18.373 -10.217 -17.275 102 HG3 LYS 35 HG1 LYS 35 17.020 -10.433 -16.172 103 HD2 LYS 35 HD2 LYS 35 17.058 -12.419 -17.443 104 HD3 LYS 35 HD1 LYS 35 15.758 -11.480 -18.171 105 HE2 LYS 35 HE2 LYS 35 18.589 -11.689 -19.257 106 HE3 LYS 35 HE1 LYS 35 17.214 -12.619 -19.842 107 HZ1 LYS 35 HZ1 LYS 35 17.595 -10.797 -21.299 108 HZ2 LYS 35 HZ2 LYS 35 17.593 -9.681 -20.034 109 HZ3 LYS 35 HZ3 LYS 35 16.166 -10.475 -20.460 110 HA PRO 36 HA PRO 36 13.230 -9.421 -13.751 111 HB2 PRO 36 HB2 PRO 36 12.227 -11.950 -13.612 112 HB3 PRO 36 HB1 PRO 36 11.371 -10.643 -14.443 113 HG2 PRO 36 HG2 PRO 36 13.104 -12.819 -15.611 114 HG3 PRO 36 HG1 PRO 36 11.524 -12.229 -16.173 115 HD2 PRO 36 HD2 PRO 36 13.881 -11.422 -17.307 116 HD3 PRO 36 HD1 PRO 36 12.446 -10.374 -17.231 117 H TYR 37 HN TYR 37 14.018 -10.276 -11.791 118 HA TYR 37 HA TYR 37 16.621 -11.642 -11.991 119 HB2 TYR 37 HB2 TYR 37 17.037 -10.798 -9.691 120 HB3 TYR 37 HB1 TYR 37 16.701 -9.508 -10.829 121 HD1 TYR 37 HD1 TYR 37 14.497 -8.279 -10.704 122 HD2 TYR 37 HD2 TYR 37 15.606 -11.162 -7.752 123 HE1 TYR 37 HE1 TYR 37 12.803 -7.372 -9.166 124 HE2 TYR 37 HE2 TYR 37 13.912 -10.254 -6.228 125 HH TYR 37 HH TYR 37 12.716 -8.155 -5.867 126 H ASP 38 HN ASP 38 13.411 -12.064 -10.671 127 HA ASP 38 HA ASP 38 13.943 -14.878 -10.115 128 HB2 ASP 38 HB2 ASP 38 13.055 -12.915 -7.967 129 HB3 ASP 38 HB1 ASP 38 12.550 -14.598 -7.881 130 H ARG 39 HN ARG 39 11.800 -15.949 -9.383 131 HA ARG 39 HA ARG 39 9.378 -14.649 -10.469 132 HB2 ARG 39 HB2 ARG 39 10.151 -17.591 -10.823 133 HB3 ARG 39 HB1 ARG 39 8.554 -16.934 -11.183 134 HG2 ARG 39 HG2 ARG 39 9.798 -15.335 -12.787 135 HG3 ARG 39 HG1 ARG 39 11.171 -16.413 -12.607 136 HD2 ARG 39 HD2 ARG 39 10.058 -18.187 -13.702 137 HD3 ARG 39 HD1 ARG 39 8.461 -17.460 -13.463 138 HE ARG 39 HE ARG 39 9.877 -15.664 -15.016 139 HH11 ARG 39 HH11 ARG 39 8.911 -19.025 -15.442 140 HH12 ARG 39 HH12 ARG 39 8.711 -18.851 -17.155 141 HH21 ARG 39 HH21 ARG 39 9.550 -15.459 -17.216 142 HH22 ARG 39 HH22 ARG 39 9.075 -16.840 -18.154 143 H ILE 40 HN ILE 40 7.520 -14.985 -9.271 144 HA ILE 40 HA ILE 40 7.717 -16.581 -6.771 145 HB ILE 40 HB ILE 40 6.022 -15.066 -5.769 146 HG12 ILE 40 HG12 ILE 40 6.360 -13.312 -8.252 147 HG13 ILE 40 HG11 ILE 40 4.949 -14.311 -7.926 148 HG21 ILE 40 HG21 ILE 40 8.473 -13.565 -6.771 149 HG22 ILE 40 HG22 ILE 40 8.407 -14.616 -5.355 150 HG23 ILE 40 HG23 ILE 40 7.484 -13.112 -5.378 151 HD11 ILE 40 HD11 ILE 40 5.877 -11.986 -6.253 152 HD12 ILE 40 HD12 ILE 40 4.450 -12.980 -5.951 153 HD13 ILE 40 HD13 ILE 40 4.543 -11.987 -7.403 154 H VAL 41 HN VAL 41 6.035 -17.996 -6.342 155 HA VAL 41 HA VAL 41 3.834 -18.208 -8.323 156 HB VAL 41 HB VAL 41 5.049 -20.611 -6.877 157 HG11 VAL 41 HG11 VAL 41 2.700 -20.889 -7.569 158 HG12 VAL 41 HG12 VAL 41 3.752 -21.932 -8.528 159 HG13 VAL 41 HG13 VAL 41 3.117 -20.442 -9.228 160 HG21 VAL 41 HG21 VAL 41 6.773 -19.725 -8.386 161 HG22 VAL 41 HG22 VAL 41 5.632 -19.735 -9.730 162 HG23 VAL 41 HG23 VAL 41 6.144 -21.257 -8.997 163 H ILE 42 HN ILE 42 1.980 -17.714 -7.327 164 HA ILE 42 HA ILE 42 1.511 -18.441 -4.491 165 HB ILE 42 HB ILE 42 -0.591 -17.132 -4.675 166 HG12 ILE 42 HG12 ILE 42 0.291 -16.449 -7.524 167 HG13 ILE 42 HG11 ILE 42 -1.019 -17.549 -7.119 168 HG21 ILE 42 HG21 ILE 42 0.402 -14.880 -4.843 169 HG22 ILE 42 HG22 ILE 42 1.829 -15.559 -5.629 170 HG23 ILE 42 HG23 ILE 42 1.460 -15.980 -3.955 171 HD11 ILE 42 HD11 ILE 42 -1.864 -15.399 -7.803 172 HD12 ILE 42 HD12 ILE 42 -0.947 -14.593 -6.533 173 HD13 ILE 42 HD13 ILE 42 -2.261 -15.697 -6.113 174 H THR 43 HN THR 43 -0.482 -19.614 -3.978 175 HA THR 43 HA THR 43 -1.919 -21.022 -6.101 176 HB THR 43 HB THR 43 -0.611 -22.584 -3.803 177 HG1 THR 43 HG1 THR 43 0.226 -22.049 -6.405 178 HG21 THR 43 HG21 THR 43 -2.770 -23.563 -4.541 179 HG22 THR 43 HG22 THR 43 -1.412 -24.595 -5.003 180 HG23 THR 43 HG23 THR 43 -2.189 -23.571 -6.210 181 H GLY 44 HN GLY 44 -4.079 -20.968 -5.559 182 HA2 GLY 44 HA2 GLY 44 -4.933 -20.969 -2.761 183 HA3 GLY 44 HA1 GLY 44 -5.242 -19.488 -3.666 184 H ARG 45 HN ARG 45 -7.163 -21.235 -2.460 185 HA ARG 45 HA ARG 45 -8.483 -22.711 -4.605 186 HB2 ARG 45 HB2 ARG 45 -9.237 -22.331 -1.672 187 HB3 ARG 45 HB1 ARG 45 -10.192 -23.271 -2.810 188 HG2 ARG 45 HG2 ARG 45 -8.945 -24.859 -1.571 189 HG3 ARG 45 HG1 ARG 45 -8.125 -24.753 -3.132 190 HD2 ARG 45 HD2 ARG 45 -6.536 -23.090 -2.022 191 HD3 ARG 45 HD1 ARG 45 -7.264 -23.559 -0.486 192 HE ARG 45 HE ARG 45 -6.548 -25.935 -1.305 193 HH11 ARG 45 HH11 ARG 45 -4.703 -22.970 -1.691 194 HH12 ARG 45 HH12 ARG 45 -3.174 -23.775 -1.661 195 HH21 ARG 45 HH21 ARG 45 -4.527 -26.975 -1.273 196 HH22 ARG 45 HH22 ARG 45 -3.070 -26.048 -1.431 197 H PHE 46 HN PHE 46 -10.155 -21.995 -5.739 198 HA PHE 46 HA PHE 46 -11.964 -20.917 -6.497 199 HB2 PHE 46 HB2 PHE 46 -12.852 -21.511 -4.228 200 HB3 PHE 46 HB1 PHE 46 -12.303 -19.953 -3.620 201 HD1 PHE 46 HD2 PHE 46 -14.414 -21.307 -6.436 202 HD2 PHE 46 HD1 PHE 46 -13.936 -18.278 -3.455 203 HE1 PHE 46 HE2 PHE 46 -16.555 -20.298 -7.106 204 HE2 PHE 46 HE1 PHE 46 -16.075 -17.274 -4.140 205 HZ PHE 46 HZ PHE 46 -17.384 -18.285 -5.963 206 H ASN 47 HN ASN 47 -9.283 -19.559 -6.454 207 HA ASN 47 HA ASN 47 -9.691 -16.735 -6.119 208 HB2 ASN 47 HB2 ASN 47 -7.541 -18.216 -7.697 209 HB3 ASN 47 HB1 ASN 47 -7.531 -16.480 -7.405 210 HD21 ASN 47 HD21 ASN 47 -8.521 -16.834 -4.596 211 HD22 ASN 47 HD22 ASN 47 -7.145 -17.399 -3.725 212 H ALA 48 HN ALA 48 -10.528 -15.281 -7.526 213 HA ALA 48 HA ALA 48 -11.287 -15.986 -10.250 214 HB1 ALA 48 HB1 ALA 48 -11.347 -13.299 -8.805 215 HB2 ALA 48 HB2 ALA 48 -12.694 -14.433 -8.928 216 HB3 ALA 48 HB3 ALA 48 -12.072 -13.648 -10.379 217 H ILE 49 HN ILE 49 -10.482 -14.383 -12.042 218 HA ILE 49 HA ILE 49 -7.669 -14.579 -12.264 219 HB ILE 49 HB ILE 49 -9.000 -14.514 -14.296 220 HG12 ILE 49 HG12 ILE 49 -7.741 -12.830 -15.653 221 HG13 ILE 49 HG11 ILE 49 -7.220 -12.031 -14.175 222 HG21 ILE 49 HG21 ILE 49 -10.186 -12.513 -15.105 223 HG22 ILE 49 HG22 ILE 49 -9.793 -11.677 -13.602 224 HG23 ILE 49 HG23 ILE 49 -10.847 -13.092 -13.571 225 HD11 ILE 49 HD11 ILE 49 -5.467 -13.413 -15.150 226 HD12 ILE 49 HD12 ILE 49 -6.490 -14.840 -15.007 227 HD13 ILE 49 HD13 ILE 49 -5.925 -14.009 -13.555 228 H GLY 50 HN GLY 50 -9.752 -11.721 -11.593 229 HA2 GLY 50 HA2 GLY 50 -7.595 -9.879 -11.216 230 HA3 GLY 50 HA1 GLY 50 -9.272 -9.632 -10.748 231 H ASP 51 HN ASP 51 -9.340 -12.024 -9.085 232 HA ASP 51 HA ASP 51 -8.452 -10.990 -6.576 233 HB2 ASP 51 HB2 ASP 51 -10.446 -12.420 -6.766 234 HB3 ASP 51 HB1 ASP 51 -9.474 -13.753 -7.370 235 H ALA 52 HN ALA 52 -7.200 -13.393 -8.838 236 HA ALA 52 HA ALA 52 -4.983 -14.272 -7.242 237 HB1 ALA 52 HB1 ALA 52 -5.944 -15.702 -9.002 238 HB2 ALA 52 HB2 ALA 52 -4.229 -15.401 -9.296 239 HB3 ALA 52 HB3 ALA 52 -5.453 -14.534 -10.232 240 H VAL 53 HN VAL 53 -5.498 -11.803 -9.742 241 HA VAL 53 HA VAL 53 -2.786 -10.992 -10.032 242 HB VAL 53 HB VAL 53 -5.357 -9.446 -10.600 243 HG11 VAL 53 HG11 VAL 53 -2.511 -8.682 -11.394 244 HG12 VAL 53 HG12 VAL 53 -3.528 -7.823 -10.235 245 HG13 VAL 53 HG13 VAL 53 -3.983 -7.870 -11.938 246 HG21 VAL 53 HG21 VAL 53 -5.025 -11.449 -12.017 247 HG22 VAL 53 HG22 VAL 53 -3.438 -10.850 -12.498 248 HG23 VAL 53 HG23 VAL 53 -4.894 -9.966 -12.964 249 H SER 54 HN SER 54 -5.403 -9.965 -7.860 250 HA SER 54 HA SER 54 -4.056 -7.825 -6.570 251 HB2 SER 54 HB2 SER 54 -6.518 -8.163 -6.443 252 HB3 SER 54 HB1 SER 54 -6.271 -9.619 -5.482 253 HG SER 54 HG SER 54 -6.028 -6.937 -4.766 254 H ALA 55 HN ALA 55 -4.189 -11.300 -6.010 255 HA ALA 55 HA ALA 55 -2.857 -11.381 -3.503 256 HB1 ALA 55 HB1 ALA 55 -4.256 -13.228 -4.314 257 HB2 ALA 55 HB2 ALA 55 -2.622 -13.799 -3.960 258 HB3 ALA 55 HB3 ALA 55 -3.125 -13.529 -5.633 259 H VAL 56 HN VAL 56 -1.712 -11.800 -6.868 260 HA VAL 56 HA VAL 56 0.993 -12.394 -6.069 261 HB VAL 56 HB VAL 56 -0.092 -13.410 -8.082 262 HG11 VAL 56 HG11 VAL 56 0.241 -10.698 -9.364 263 HG12 VAL 56 HG12 VAL 56 -1.280 -11.505 -8.988 264 HG13 VAL 56 HG13 VAL 56 -0.203 -12.187 -10.208 265 HG21 VAL 56 HG21 VAL 56 2.502 -11.956 -8.685 266 HG22 VAL 56 HG22 VAL 56 1.893 -13.383 -9.530 267 HG23 VAL 56 HG23 VAL 56 2.354 -13.494 -7.830 268 H SER 57 HN SER 57 -0.728 -9.479 -7.052 269 HA SER 57 HA SER 57 1.564 -7.870 -7.658 270 HB2 SER 57 HB2 SER 57 -0.003 -5.924 -7.410 271 HB3 SER 57 HB1 SER 57 -0.633 -7.177 -8.477 272 HG SER 57 HG SER 57 -2.281 -7.300 -7.223 273 H ARG 58 HN ARG 58 -0.501 -8.205 -4.764 274 HA ARG 58 HA ARG 58 1.007 -6.534 -3.055 275 HB2 ARG 58 HB2 ARG 58 -1.305 -7.218 -2.484 276 HB3 ARG 58 HB1 ARG 58 -0.779 -8.893 -2.311 277 HG2 ARG 58 HG2 ARG 58 0.676 -8.254 -0.429 278 HG3 ARG 58 HG1 ARG 58 0.192 -6.568 -0.617 279 HD2 ARG 58 HD2 ARG 58 -2.112 -7.151 0.011 280 HD3 ARG 58 HD1 ARG 58 -1.653 -8.859 0.138 281 HE ARG 58 HE ARG 58 -0.507 -6.709 1.836 282 HH11 ARG 58 HH11 ARG 58 -1.809 -9.975 1.564 283 HH12 ARG 58 HH12 ARG 58 -1.361 -10.399 3.182 284 HH21 ARG 58 HH21 ARG 58 0.109 -7.301 3.926 285 HH22 ARG 58 HH22 ARG 58 -0.271 -8.886 4.520 286 H ARG 59 HN ARG 59 1.068 -10.052 -3.632 287 HA ARG 59 HA ARG 59 2.945 -10.865 -1.751 288 HB2 ARG 59 HB2 ARG 59 1.619 -12.486 -2.968 289 HB3 ARG 59 HB1 ARG 59 2.315 -11.999 -4.501 290 HG2 ARG 59 HG2 ARG 59 3.128 -14.208 -3.649 291 HG3 ARG 59 HG1 ARG 59 4.416 -13.052 -3.986 292 HD2 ARG 59 HD2 ARG 59 4.736 -14.372 -1.878 293 HD3 ARG 59 HD1 ARG 59 4.750 -12.624 -1.642 294 HE ARG 59 HE ARG 59 2.182 -13.910 -1.200 295 HH11 ARG 59 HH11 ARG 59 5.164 -12.784 0.286 296 HH12 ARG 59 HH12 ARG 59 4.492 -12.764 1.883 297 HH21 ARG 59 HH21 ARG 59 1.310 -13.827 0.889 298 HH22 ARG 59 HH22 ARG 59 2.306 -13.359 2.231 299 H ALA 60 HN ALA 60 3.508 -9.848 -5.125 300 HA ALA 60 HA ALA 60 6.298 -10.117 -5.223 301 HB1 ALA 60 HB1 ALA 60 4.924 -9.754 -7.230 302 HB2 ALA 60 HB2 ALA 60 6.204 -8.543 -7.134 303 HB3 ALA 60 HB3 ALA 60 4.545 -8.118 -6.696 304 H ASP 61 HN ASP 61 4.276 -7.376 -4.237 305 HA ASP 61 HA ASP 61 6.316 -5.487 -3.739 306 HB2 ASP 61 HB2 ASP 61 3.832 -5.035 -4.060 307 HB3 ASP 61 HB1 ASP 61 3.574 -5.627 -2.430 308 H GLU 62 HN GLU 62 4.843 -8.010 -1.718 309 HA GLU 62 HA GLU 62 6.051 -7.262 0.768 310 HB2 GLU 62 HB2 GLU 62 5.011 -10.002 -0.090 311 HB3 GLU 62 HB1 GLU 62 5.374 -9.510 1.564 312 HG2 GLU 62 HG2 GLU 62 3.159 -8.405 -0.198 313 HG3 GLU 62 HG1 GLU 62 2.967 -9.537 1.134 314 H GLU 63 HN GLU 63 7.063 -9.231 -1.973 315 HA GLU 63 HA GLU 63 9.442 -10.293 -0.715 316 HB2 GLU 63 HB2 GLU 63 8.851 -10.112 -3.705 317 HB3 GLU 63 HB1 GLU 63 9.997 -11.191 -2.913 318 HG2 GLU 63 HG2 GLU 63 6.973 -11.322 -2.872 319 HG3 GLU 63 HG1 GLU 63 8.095 -12.483 -3.563 320 H GLY 64 HN GLY 64 8.589 -7.250 -1.890 321 HA2 GLY 64 HA2 GLY 64 9.903 -5.313 -1.761 322 HA3 GLY 64 HA1 GLY 64 11.361 -6.294 -1.812 323 H ALA 65 HN ALA 65 9.115 -7.203 -4.174 324 HA ALA 65 HA ALA 65 10.731 -6.244 -6.358 325 HB1 ALA 65 HB1 ALA 65 9.680 -8.481 -6.427 326 HB2 ALA 65 HB2 ALA 65 9.176 -7.478 -7.788 327 HB3 ALA 65 HB3 ALA 65 8.080 -7.730 -6.427 328 H ALA 66 HN ALA 66 10.179 -4.758 -7.902 329 HA ALA 66 HA ALA 66 8.381 -2.619 -7.067 330 HB1 ALA 66 HB1 ALA 66 10.341 -2.780 -9.379 331 HB2 ALA 66 HB2 ALA 66 10.665 -2.079 -7.792 332 HB3 ALA 66 HB3 ALA 66 9.474 -1.330 -8.860 333 H SER 67 HN SER 67 8.719 -4.978 -9.673 334 HA SER 67 HA SER 67 5.962 -4.486 -10.579 335 HB2 SER 67 HB2 SER 67 8.368 -4.636 -12.466 336 HB3 SER 67 HB1 SER 67 6.677 -4.536 -12.966 337 HG SER 67 HG SER 67 7.153 -2.532 -11.286 338 H PHE 68 HN PHE 68 5.273 -6.283 -12.137 339 HA PHE 68 HA PHE 68 6.726 -8.800 -12.019 340 HB2 PHE 68 HB2 PHE 68 5.062 -10.112 -10.879 341 HB3 PHE 68 HB1 PHE 68 5.322 -8.705 -9.855 342 HD1 PHE 68 HD2 PHE 68 3.590 -6.815 -9.903 343 HD2 PHE 68 HD1 PHE 68 2.883 -10.593 -11.785 344 HE1 PHE 68 HE2 PHE 68 1.176 -6.338 -9.988 345 HE2 PHE 68 HE1 PHE 68 0.481 -10.094 -11.873 346 HZ PHE 68 HZ PHE 68 -0.377 -7.985 -10.965 347 H TYR 69 HN TYR 69 5.713 -10.440 -13.419 348 HA TYR 69 HA TYR 69 3.469 -9.634 -15.105 349 HB2 TYR 69 HB2 TYR 69 5.221 -8.840 -16.518 350 HB3 TYR 69 HB1 TYR 69 6.261 -10.215 -16.164 351 HD1 TYR 69 HD1 TYR 69 2.778 -9.705 -17.549 352 HD2 TYR 69 HD2 TYR 69 6.546 -11.680 -17.990 353 HE1 TYR 69 HE1 TYR 69 1.943 -10.857 -19.556 354 HE2 TYR 69 HE2 TYR 69 5.709 -12.826 -19.998 355 HH TYR 69 HH TYR 69 3.520 -13.508 -20.947 356 H VAL 70 HN VAL 70 2.088 -11.264 -14.979 357 HA VAL 70 HA VAL 70 2.719 -13.913 -14.146 358 HB VAL 70 HB VAL 70 0.162 -12.848 -15.431 359 HG11 VAL 70 HG11 VAL 70 0.609 -15.468 -13.939 360 HG12 VAL 70 HG12 VAL 70 0.269 -15.294 -15.663 361 HG13 VAL 70 HG13 VAL 70 -0.957 -14.852 -14.475 362 HG21 VAL 70 HG21 VAL 70 0.701 -11.687 -13.323 363 HG22 VAL 70 HG22 VAL 70 0.853 -13.235 -12.488 364 HG23 VAL 70 HG23 VAL 70 -0.716 -12.722 -13.113 365 H VAL 71 HN VAL 71 3.730 -15.379 -15.365 366 HA VAL 71 HA VAL 71 3.642 -15.216 -18.299 367 HB VAL 71 HB VAL 71 5.545 -16.815 -18.260 368 HG11 VAL 71 HG11 VAL 71 6.011 -14.403 -18.256 369 HG12 VAL 71 HG12 VAL 71 7.241 -15.269 -17.336 370 HG13 VAL 71 HG13 VAL 71 5.974 -14.377 -16.491 371 HG21 VAL 71 HG21 VAL 71 5.382 -16.605 -15.223 372 HG22 VAL 71 HG22 VAL 71 6.657 -17.423 -16.134 373 HG23 VAL 71 HG23 VAL 71 5.006 -18.040 -16.181 374 H ASP 72 HN ASP 72 2.417 -17.148 -15.672 375 HA ASP 72 HA ASP 72 0.989 -18.899 -17.471 376 HB2 ASP 72 HB2 ASP 72 3.161 -20.037 -17.430 377 HB3 ASP 72 HB1 ASP 72 3.187 -20.011 -15.686 378 H THR 73 HN THR 73 -0.730 -19.834 -16.566 379 HA THR 73 HA THR 73 -1.144 -19.895 -13.648 380 HB THR 73 HB THR 73 -3.581 -19.341 -14.053 381 HG1 THR 73 HG1 THR 73 -3.869 -19.720 -16.219 382 HG21 THR 73 HG21 THR 73 -3.325 -16.912 -14.287 383 HG22 THR 73 HG22 THR 73 -1.706 -17.126 -14.951 384 HG23 THR 73 HG23 THR 73 -2.031 -17.558 -13.273 385 H SER 74 HN SER 74 -1.084 -22.106 -13.300 386 HA SER 74 HA SER 74 -2.455 -23.914 -15.216 387 HB2 SER 74 HB2 SER 74 -0.370 -24.616 -13.100 388 HB3 SER 74 HB1 SER 74 -1.107 -25.743 -14.240 389 HG SER 74 HG SER 74 0.094 -23.469 -15.310 390 H GLU 75 HN GLU 75 -4.215 -25.003 -14.586 391 HA GLU 75 HA GLU 75 -5.352 -24.416 -11.962 392 HB2 GLU 75 HB2 GLU 75 -7.459 -25.314 -12.937 393 HB3 GLU 75 HB1 GLU 75 -6.781 -23.981 -13.867 394 HG2 GLU 75 HG2 GLU 75 -5.813 -25.686 -15.457 395 HG3 GLU 75 HG1 GLU 75 -6.683 -26.936 -14.571 396 H PHE 76 HN PHE 76 -6.020 -25.933 -10.502 397 HA PHE 76 HA PHE 76 -4.888 -28.660 -10.687 398 HB2 PHE 76 HB2 PHE 76 -4.152 -27.244 -8.771 399 HB3 PHE 76 HB1 PHE 76 -5.824 -27.031 -8.274 400 HD1 PHE 76 HD2 PHE 76 -3.122 -29.569 -8.682 401 HD2 PHE 76 HD1 PHE 76 -6.856 -28.635 -6.818 402 HE1 PHE 76 HE2 PHE 76 -2.917 -31.565 -7.262 403 HE2 PHE 76 HE1 PHE 76 -6.641 -30.632 -5.402 404 HZ PHE 76 HZ PHE 76 -4.675 -32.101 -5.621 405 H GLY 77 HN GLY 77 -7.848 -26.794 -10.084 406 HA2 GLY 77 HA2 GLY 77 -9.899 -27.522 -11.110 407 HA3 GLY 77 HA1 GLY 77 -9.443 -29.190 -10.804 408 H ASN 78 HN ASN 78 -8.999 -29.575 -8.320 409 HA ASN 78 HA ASN 78 -11.490 -29.600 -7.037 410 HB2 ASN 78 HB2 ASN 78 -8.716 -29.915 -5.776 411 HB3 ASN 78 HB1 ASN 78 -10.230 -30.346 -4.984 412 HD21 ASN 78 HD21 ASN 78 -9.460 -32.482 -4.756 413 HD22 ASN 78 HD22 ASN 78 -9.472 -33.586 -6.086 414 H SER 79 HN SER 79 -12.582 -28.141 -5.830 415 HA SER 79 HA SER 79 -13.171 -26.361 -4.569 416 HB2 SER 79 HB2 SER 79 -10.249 -26.254 -3.709 417 HB3 SER 79 HB1 SER 79 -11.602 -25.479 -2.881 418 HG SER 79 HG SER 79 -12.149 -28.079 -3.229 419 H GLY 80 HN GLY 80 -12.005 -26.056 -7.359 420 HA2 GLY 80 HA2 GLY 80 -11.511 -24.434 -8.898 421 HA3 GLY 80 HA1 GLY 80 -12.126 -23.260 -7.738 422 H ASN 81 HN ASN 81 -9.452 -25.416 -7.047 423 HA ASN 81 HA ASN 81 -7.724 -23.196 -6.357 424 HB2 ASN 81 HB2 ASN 81 -7.801 -25.137 -4.857 425 HB3 ASN 81 HB1 ASN 81 -7.289 -26.216 -6.147 426 HD21 ASN 81 HD21 ASN 81 -5.111 -26.346 -6.634 427 HD22 ASN 81 HD22 ASN 81 -3.879 -25.567 -5.721 428 H TRP 82 HN TRP 82 -5.858 -22.599 -7.327 429 HA TRP 82 HA TRP 82 -4.586 -24.017 -9.461 430 HB2 TRP 82 HB2 TRP 82 -4.892 -22.221 -11.207 431 HB3 TRP 82 HB1 TRP 82 -6.348 -23.131 -10.859 432 HD1 TRP 82 HD1 TRP 82 -7.768 -21.627 -8.634 433 HE1 TRP 82 HE1 TRP 82 -8.604 -19.228 -8.929 434 HE3 TRP 82 HE3 TRP 82 -4.724 -20.135 -12.463 435 HZ2 TRP 82 HZ2 TRP 82 -8.091 -17.005 -10.536 436 HZ3 TRP 82 HZ3 TRP 82 -4.981 -17.842 -13.328 437 HH2 TRP 82 HH2 TRP 82 -6.630 -16.305 -12.384 438 H ARG 83 HN ARG 83 -2.687 -22.922 -10.227 439 HA ARG 83 HA ARG 83 -1.517 -21.115 -8.216 440 HB2 ARG 83 HB2 ARG 83 0.679 -22.082 -8.853 441 HB3 ARG 83 HB1 ARG 83 -0.436 -23.292 -8.245 442 HG2 ARG 83 HG2 ARG 83 0.466 -24.440 -10.017 443 HG3 ARG 83 HG1 ARG 83 -0.936 -23.731 -10.809 444 HD2 ARG 83 HD2 ARG 83 0.896 -23.457 -12.306 445 HD3 ARG 83 HD1 ARG 83 0.626 -21.863 -11.602 446 HE ARG 83 HE ARG 83 2.528 -22.998 -9.988 447 HH11 ARG 83 HH11 ARG 83 2.324 -22.371 -13.444 448 HH12 ARG 83 HH12 ARG 83 4.037 -22.218 -13.624 449 HH21 ARG 83 HH21 ARG 83 4.792 -22.789 -10.273 450 HH22 ARG 83 HH22 ARG 83 5.429 -22.464 -11.850 451 H VAL 84 HN VAL 84 -0.067 -19.506 -8.954 452 HA VAL 84 HA VAL 84 -0.278 -18.619 -11.761 453 HB VAL 84 HB VAL 84 -0.801 -16.806 -9.346 454 HG11 VAL 84 HG11 VAL 84 -1.291 -15.030 -11.003 455 HG12 VAL 84 HG12 VAL 84 -0.801 -16.121 -12.301 456 HG13 VAL 84 HG13 VAL 84 0.382 -15.590 -11.106 457 HG21 VAL 84 HG21 VAL 84 -2.762 -18.211 -9.765 458 HG22 VAL 84 HG22 VAL 84 -2.767 -17.741 -11.465 459 HG23 VAL 84 HG23 VAL 84 -3.105 -16.540 -10.219 460 H VAL 85 HN VAL 85 1.855 -18.631 -12.360 461 HA VAL 85 HA VAL 85 3.907 -17.626 -10.487 462 HB VAL 85 HB VAL 85 4.497 -19.770 -11.500 463 HG11 VAL 85 HG11 VAL 85 3.207 -19.703 -13.554 464 HG12 VAL 85 HG12 VAL 85 4.900 -20.043 -13.918 465 HG13 VAL 85 HG13 VAL 85 4.244 -18.428 -14.198 466 HG21 VAL 85 HG21 VAL 85 6.223 -17.541 -12.653 467 HG22 VAL 85 HG22 VAL 85 6.729 -19.218 -12.429 468 HG23 VAL 85 HG23 VAL 85 6.354 -18.216 -11.026 469 H ALA 86 HN ALA 86 4.928 -15.758 -10.809 470 HA ALA 86 HA ALA 86 4.677 -14.239 -13.306 471 HB1 ALA 86 HB1 ALA 86 4.030 -13.113 -10.548 472 HB2 ALA 86 HB2 ALA 86 2.857 -13.438 -11.826 473 HB3 ALA 86 HB3 ALA 86 4.088 -12.195 -12.059 474 H ASP 87 HN ASP 87 6.663 -13.519 -13.876 475 HA ASP 87 HA ASP 87 8.863 -13.642 -12.001 476 HB2 ASP 87 HB2 ASP 87 10.167 -12.565 -14.002 477 HB3 ASP 87 HB1 ASP 87 9.674 -14.238 -14.078 478 H VAL 88 HN VAL 88 10.118 -11.885 -11.302 479 HA VAL 88 HA VAL 88 8.516 -9.423 -10.917 480 HB VAL 88 HB VAL 88 9.591 -9.264 -8.646 481 HG11 VAL 88 HG11 VAL 88 7.321 -10.166 -8.874 482 HG12 VAL 88 HG12 VAL 88 8.172 -10.994 -7.569 483 HG13 VAL 88 HG13 VAL 88 7.964 -11.791 -9.132 484 HG21 VAL 88 HG21 VAL 88 10.685 -11.248 -7.645 485 HG22 VAL 88 HG22 VAL 88 11.601 -10.652 -9.031 486 HG23 VAL 88 HG23 VAL 88 10.590 -12.090 -9.195 487 H TYR 89 HN TYR 89 9.575 -7.468 -10.821 488 HA TYR 89 HA TYR 89 12.206 -7.353 -12.175 489 HB2 TYR 89 HB2 TYR 89 9.714 -5.702 -12.817 490 HB3 TYR 89 HB1 TYR 89 11.291 -5.492 -13.569 491 HD1 TYR 89 HD1 TYR 89 8.434 -7.875 -13.228 492 HD2 TYR 89 HD2 TYR 89 11.923 -6.832 -15.462 493 HE1 TYR 89 HE1 TYR 89 7.815 -9.507 -14.958 494 HE2 TYR 89 HE2 TYR 89 11.302 -8.466 -17.189 495 HH TYR 89 HH TYR 89 8.249 -10.254 -17.032 496 H LYS 90 HN LYS 90 13.265 -5.327 -12.027 497 HA LYS 90 HA LYS 90 12.979 -3.917 -9.473 498 HB2 LYS 90 HB2 LYS 90 15.132 -3.737 -11.642 499 HB3 LYS 90 HB1 LYS 90 15.213 -2.972 -10.057 500 HG2 LYS 90 HG2 LYS 90 15.063 -5.985 -10.456 501 HG3 LYS 90 HG1 LYS 90 16.587 -5.098 -10.351 502 HD2 LYS 90 HD2 LYS 90 14.456 -5.058 -8.171 503 HD3 LYS 90 HD1 LYS 90 15.803 -6.202 -8.196 504 HE2 LYS 90 HE2 LYS 90 17.405 -4.333 -8.079 505 HE3 LYS 90 HE1 LYS 90 16.072 -3.173 -8.104 506 HZ1 LYS 90 HZ1 LYS 90 16.929 -3.597 -5.872 507 HZ2 LYS 90 HZ2 LYS 90 16.494 -5.228 -6.010 508 HZ3 LYS 90 HZ3 LYS 90 15.300 -4.029 -6.021 509 H ALA 91 HN ALA 91 13.193 -1.539 -9.497 510 HA ALA 91 HA ALA 91 11.886 -0.240 -11.813 511 HB1 ALA 91 HB1 ALA 91 11.305 1.579 -10.241 512 HB2 ALA 91 HB2 ALA 91 12.096 0.707 -8.927 513 HB3 ALA 91 HB3 ALA 91 10.664 0.027 -9.701 Start of MODEL 19 1 H HIS 21 HT1 HIS 21 3.143 -0.169 -2.282 2 HA HIS 21 HA HIS 21 2.500 -2.042 -0.084 3 HB2 HIS 21 HB2 HIS 21 0.957 0.368 -1.147 4 HB3 HIS 21 HB1 HIS 21 0.426 -0.696 0.157 5 HD1 HIS 21 HD1 HIS 21 2.447 2.310 -0.496 6 HD2 HIS 21 HD2 HIS 21 2.129 -0.521 2.536 7 HE1 HIS 21 HE1 HIS 21 3.654 3.289 1.470 8 HE2 HIS 21 HE2 HIS 21 3.349 1.615 3.328 9 H ALA 22 HN ALA 22 2.405 -1.416 -3.432 10 HA ALA 22 HA ALA 22 1.181 -3.947 -4.014 11 HB1 ALA 22 HB1 ALA 22 -0.867 -2.590 -3.772 12 HB2 ALA 22 HB2 ALA 22 -0.635 -3.086 -5.449 13 HB3 ALA 22 HB3 ALA 22 -0.261 -1.430 -4.958 14 H ALA 23 HN ALA 23 2.547 -4.685 -5.522 15 HA ALA 23 HA ALA 23 4.256 -3.046 -7.113 16 HB1 ALA 23 HB1 ALA 23 4.945 -5.280 -6.351 17 HB2 ALA 23 HB2 ALA 23 5.035 -5.158 -8.108 18 HB3 ALA 23 HB3 ALA 23 3.693 -6.026 -7.348 19 H THR 24 HN THR 24 4.094 -2.446 -9.227 20 HA THR 24 HA THR 24 1.538 -2.300 -10.493 21 HB THR 24 HB THR 24 4.333 -1.698 -11.577 22 HG1 THR 24 HG1 THR 24 3.290 -0.546 -9.618 23 HG21 THR 24 HG21 THR 24 2.721 -1.862 -13.436 24 HG22 THR 24 HG22 THR 24 3.190 -0.182 -13.168 25 HG23 THR 24 HG23 THR 24 1.626 -0.754 -12.593 26 H GLU 25 HN GLU 25 0.675 -3.605 -12.168 27 HA GLU 25 HA GLU 25 2.076 -6.020 -12.935 28 HB2 GLU 25 HB2 GLU 25 -0.422 -5.939 -12.705 29 HB3 GLU 25 HB1 GLU 25 -0.505 -4.888 -14.116 30 HG2 GLU 25 HG2 GLU 25 0.444 -6.667 -15.520 31 HG3 GLU 25 HG1 GLU 25 0.620 -7.715 -14.117 32 H LEU 26 HN LEU 26 3.270 -6.305 -14.728 33 HA LEU 26 HA LEU 26 4.069 -3.947 -16.252 34 HB2 LEU 26 HB2 LEU 26 5.668 -5.651 -15.026 35 HB3 LEU 26 HB1 LEU 26 5.363 -6.699 -16.396 36 HG LEU 26 HG LEU 26 6.303 -4.952 -17.916 37 HD11 LEU 26 HD11 LEU 26 5.823 -2.945 -16.589 38 HD12 LEU 26 HD12 LEU 26 7.532 -3.037 -16.998 39 HD13 LEU 26 HD13 LEU 26 6.994 -3.453 -15.368 40 HD21 LEU 26 HD21 LEU 26 7.753 -6.755 -17.078 41 HD22 LEU 26 HD22 LEU 26 8.195 -5.762 -15.689 42 HD23 LEU 26 HD23 LEU 26 8.655 -5.260 -17.318 43 H THR 27 HN THR 27 3.823 -3.822 -18.484 44 HA THR 27 HA THR 27 1.746 -5.348 -19.701 45 HB THR 27 HB THR 27 2.148 -4.035 -21.719 46 HG1 THR 27 HG1 THR 27 4.218 -2.494 -21.028 47 HG21 THR 27 HG21 THR 27 2.047 -1.720 -20.856 48 HG22 THR 27 HG22 THR 27 2.606 -2.271 -19.275 49 HG23 THR 27 HG23 THR 27 1.033 -2.793 -19.891 50 HA PRO 28 HA PRO 28 4.074 -8.855 -21.314 51 HB2 PRO 28 HB2 PRO 28 2.766 -9.262 -23.753 52 HB3 PRO 28 HB1 PRO 28 2.172 -9.821 -22.184 53 HG2 PRO 28 HG2 PRO 28 1.437 -7.327 -23.722 54 HG3 PRO 28 HG1 PRO 28 0.375 -8.475 -22.876 55 HD2 PRO 28 HD2 PRO 28 1.023 -6.137 -21.747 56 HD3 PRO 28 HD1 PRO 28 0.917 -7.612 -20.755 57 H GLU 29 HN GLU 29 4.044 -5.808 -22.933 58 HA GLU 29 HA GLU 29 6.003 -6.461 -24.968 59 HB2 GLU 29 HB2 GLU 29 5.117 -3.716 -23.983 60 HB3 GLU 29 HB1 GLU 29 5.955 -4.082 -25.495 61 HG2 GLU 29 HG2 GLU 29 3.124 -4.845 -24.731 62 HG3 GLU 29 HG1 GLU 29 3.618 -3.651 -25.931 63 H GLN 30 HN GLN 30 5.956 -4.508 -21.974 64 HA GLN 30 HA GLN 30 8.727 -3.939 -21.847 65 HB2 GLN 30 HB2 GLN 30 6.676 -4.123 -19.597 66 HB3 GLN 30 HB1 GLN 30 8.285 -3.417 -19.430 67 HG2 GLN 30 HG2 GLN 30 7.702 -1.648 -21.011 68 HG3 GLN 30 HG1 GLN 30 6.121 -2.386 -21.282 69 HE21 GLN 30 HE21 GLN 30 8.104 -0.586 -19.029 70 HE22 GLN 30 HE22 GLN 30 6.821 -0.114 -17.973 71 H ALA 31 HN ALA 31 6.757 -6.486 -20.386 72 HA ALA 31 HA ALA 31 8.721 -7.766 -18.839 73 HB1 ALA 31 HB1 ALA 31 7.113 -9.622 -18.688 74 HB2 ALA 31 HB2 ALA 31 6.161 -8.909 -19.995 75 HB3 ALA 31 HB3 ALA 31 6.321 -8.062 -18.453 76 H ALA 32 HN ALA 32 7.691 -8.254 -22.197 77 HA ALA 32 HA ALA 32 9.218 -10.603 -22.736 78 HB1 ALA 32 HB1 ALA 32 8.149 -8.498 -24.649 79 HB2 ALA 32 HB2 ALA 32 7.297 -9.947 -24.116 80 HB3 ALA 32 HB3 ALA 32 8.745 -10.099 -25.115 81 H ALA 33 HN ALA 33 10.090 -7.273 -22.439 82 HA ALA 33 HA ALA 33 12.618 -7.565 -23.950 83 HB1 ALA 33 HB1 ALA 33 11.284 -5.070 -22.836 84 HB2 ALA 33 HB2 ALA 33 11.194 -5.636 -24.506 85 HB3 ALA 33 HB3 ALA 33 12.741 -5.117 -23.838 86 H LEU 34 HN LEU 34 11.374 -7.209 -20.694 87 HA LEU 34 HA LEU 34 13.998 -6.458 -19.588 88 HB2 LEU 34 HB2 LEU 34 11.240 -6.502 -18.286 89 HB3 LEU 34 HB1 LEU 34 12.723 -6.009 -17.476 90 HG LEU 34 HG LEU 34 11.418 -4.566 -19.828 91 HD11 LEU 34 HD11 LEU 34 11.602 -3.749 -16.905 92 HD12 LEU 34 HD12 LEU 34 10.148 -4.277 -17.755 93 HD13 LEU 34 HD13 LEU 34 10.932 -2.771 -18.216 94 HD21 LEU 34 HD21 LEU 34 13.907 -3.807 -18.257 95 HD22 LEU 34 HD22 LEU 34 13.114 -2.810 -19.481 96 HD23 LEU 34 HD23 LEU 34 13.851 -4.341 -19.940 97 H LYS 35 HN LYS 35 14.944 -7.593 -17.911 98 HA LYS 35 HA LYS 35 14.276 -10.437 -17.648 99 HB2 LYS 35 HB2 LYS 35 16.626 -9.835 -18.207 100 HB3 LYS 35 HB1 LYS 35 16.739 -8.870 -16.744 101 HG2 LYS 35 HG2 LYS 35 17.874 -10.989 -16.397 102 HG3 LYS 35 HG1 LYS 35 16.438 -10.917 -15.372 103 HD2 LYS 35 HD2 LYS 35 15.219 -12.324 -17.058 104 HD3 LYS 35 HD1 LYS 35 16.708 -12.447 -17.998 105 HE2 LYS 35 HE2 LYS 35 16.341 -13.446 -15.148 106 HE3 LYS 35 HE1 LYS 35 16.304 -14.452 -16.596 107 HZ1 LYS 35 HZ1 LYS 35 18.454 -14.556 -15.550 108 HZ2 LYS 35 HZ2 LYS 35 18.624 -12.877 -15.625 109 HZ3 LYS 35 HZ3 LYS 35 18.597 -13.784 -17.052 110 HA PRO 36 HA PRO 36 12.704 -9.441 -13.444 111 HB2 PRO 36 HB2 PRO 36 12.086 -12.264 -13.056 112 HB3 PRO 36 HB1 PRO 36 10.967 -10.931 -13.353 113 HG2 PRO 36 HG2 PRO 36 11.482 -12.983 -15.156 114 HG3 PRO 36 HG1 PRO 36 10.807 -11.403 -15.585 115 HD2 PRO 36 HD2 PRO 36 13.617 -12.404 -15.868 116 HD3 PRO 36 HD1 PRO 36 12.675 -11.339 -16.939 117 H TYR 37 HN TYR 37 13.421 -9.951 -11.277 118 HA TYR 37 HA TYR 37 16.116 -11.117 -11.168 119 HB2 TYR 37 HB2 TYR 37 16.362 -10.109 -8.990 120 HB3 TYR 37 HB1 TYR 37 15.707 -8.903 -10.078 121 HD1 TYR 37 HD1 TYR 37 13.240 -8.274 -9.869 122 HD2 TYR 37 HD2 TYR 37 15.206 -10.705 -6.965 123 HE1 TYR 37 HE1 TYR 37 11.485 -7.752 -8.232 124 HE2 TYR 37 HE2 TYR 37 13.438 -10.199 -5.346 125 HH TYR 37 HH TYR 37 11.764 -8.532 -4.912 126 H ASP 38 HN ASP 38 12.857 -11.754 -10.042 127 HA ASP 38 HA ASP 38 13.560 -14.522 -9.433 128 HB2 ASP 38 HB2 ASP 38 12.414 -12.582 -7.391 129 HB3 ASP 38 HB1 ASP 38 11.942 -14.273 -7.316 130 H ARG 39 HN ARG 39 11.307 -15.561 -8.636 131 HA ARG 39 HA ARG 39 8.995 -14.576 -10.111 132 HB2 ARG 39 HB2 ARG 39 10.260 -16.025 -11.740 133 HB3 ARG 39 HB1 ARG 39 10.152 -17.366 -10.603 134 HG2 ARG 39 HG2 ARG 39 7.686 -17.337 -10.807 135 HG3 ARG 39 HG1 ARG 39 7.796 -15.993 -11.942 136 HD2 ARG 39 HD2 ARG 39 7.481 -17.995 -13.224 137 HD3 ARG 39 HD1 ARG 39 9.155 -17.483 -13.457 138 HE ARG 39 HE ARG 39 8.982 -19.331 -11.316 139 HH11 ARG 39 HH11 ARG 39 8.956 -19.247 -14.832 140 HH12 ARG 39 HH12 ARG 39 9.391 -20.917 -14.972 141 HH21 ARG 39 HH21 ARG 39 9.557 -21.493 -11.537 142 HH22 ARG 39 HH22 ARG 39 9.725 -22.185 -13.118 143 H ILE 40 HN ILE 40 7.219 -14.908 -8.899 144 HA ILE 40 HA ILE 40 7.340 -16.781 -6.605 145 HB ILE 40 HB ILE 40 5.560 -15.378 -5.554 146 HG12 ILE 40 HG12 ILE 40 6.017 -13.500 -7.929 147 HG13 ILE 40 HG11 ILE 40 4.538 -14.391 -7.589 148 HG21 ILE 40 HG21 ILE 40 7.019 -13.491 -4.908 149 HG22 ILE 40 HG22 ILE 40 8.079 -13.834 -6.279 150 HG23 ILE 40 HG23 ILE 40 7.920 -15.009 -4.972 151 HD11 ILE 40 HD11 ILE 40 4.180 -13.057 -5.583 152 HD12 ILE 40 HD12 ILE 40 4.363 -12.033 -7.004 153 HD13 ILE 40 HD13 ILE 40 5.697 -12.198 -5.867 154 H VAL 41 HN VAL 41 5.610 -18.127 -6.171 155 HA VAL 41 HA VAL 41 3.427 -18.360 -8.159 156 HB VAL 41 HB VAL 41 4.751 -20.703 -6.693 157 HG11 VAL 41 HG11 VAL 41 2.359 -21.101 -7.148 158 HG12 VAL 41 HG12 VAL 41 3.360 -22.134 -8.170 159 HG13 VAL 41 HG13 VAL 41 2.598 -20.694 -8.853 160 HG21 VAL 41 HG21 VAL 41 5.008 -19.931 -9.626 161 HG22 VAL 41 HG22 VAL 41 5.661 -21.394 -8.885 162 HG23 VAL 41 HG23 VAL 41 6.282 -19.811 -8.409 163 H ILE 42 HN ILE 42 1.512 -18.024 -7.236 164 HA ILE 42 HA ILE 42 1.122 -18.403 -4.311 165 HB ILE 42 HB ILE 42 -0.639 -16.667 -4.434 166 HG12 ILE 42 HG12 ILE 42 0.193 -16.214 -7.345 167 HG13 ILE 42 HG11 ILE 42 -1.273 -17.059 -6.864 168 HG21 ILE 42 HG21 ILE 42 2.010 -15.687 -5.576 169 HG22 ILE 42 HG22 ILE 42 1.641 -15.932 -3.866 170 HG23 ILE 42 HG23 ILE 42 0.803 -14.675 -4.774 171 HD11 ILE 42 HD11 ILE 42 -0.639 -14.171 -6.286 172 HD12 ILE 42 HD12 ILE 42 -2.123 -15.016 -5.841 173 HD13 ILE 42 HD13 ILE 42 -1.719 -14.776 -7.541 174 H THR 43 HN THR 43 -0.952 -19.291 -3.661 175 HA THR 43 HA THR 43 -2.445 -20.760 -5.779 176 HB THR 43 HB THR 43 -3.182 -22.269 -3.827 177 HG1 THR 43 HG1 THR 43 -0.878 -21.393 -2.450 178 HG21 THR 43 HG21 THR 43 -1.116 -23.630 -3.854 179 HG22 THR 43 HG22 THR 43 -0.219 -22.263 -4.518 180 HG23 THR 43 HG23 THR 43 -1.496 -23.023 -5.469 181 H GLY 44 HN GLY 44 -4.772 -20.859 -5.584 182 HA2 GLY 44 HA2 GLY 44 -6.155 -19.274 -3.589 183 HA3 GLY 44 HA1 GLY 44 -6.151 -18.561 -5.197 184 H ARG 45 HN ARG 45 -7.459 -21.055 -3.163 185 HA ARG 45 HA ARG 45 -9.091 -22.205 -5.332 186 HB2 ARG 45 HB2 ARG 45 -7.823 -23.696 -3.703 187 HB3 ARG 45 HB1 ARG 45 -8.896 -23.136 -2.424 188 HG2 ARG 45 HG2 ARG 45 -10.825 -24.124 -3.574 189 HG3 ARG 45 HG1 ARG 45 -9.802 -24.575 -4.941 190 HD2 ARG 45 HD2 ARG 45 -8.472 -26.027 -3.372 191 HD3 ARG 45 HD1 ARG 45 -9.671 -25.673 -2.120 192 HE ARG 45 HE ARG 45 -11.250 -26.601 -4.062 193 HH11 ARG 45 HH11 ARG 45 -8.231 -27.920 -2.824 194 HH12 ARG 45 HH12 ARG 45 -8.651 -29.556 -3.222 195 HH21 ARG 45 HH21 ARG 45 -11.777 -28.748 -4.564 196 HH22 ARG 45 HH22 ARG 45 -10.654 -30.018 -4.200 197 H PHE 46 HN PHE 46 -9.669 -19.687 -4.916 198 HA PHE 46 HA PHE 46 -12.407 -19.458 -4.351 199 HB2 PHE 46 HB2 PHE 46 -11.788 -19.636 -1.961 200 HB3 PHE 46 HB1 PHE 46 -10.578 -18.375 -2.137 201 HD1 PHE 46 HD2 PHE 46 -14.264 -19.021 -2.199 202 HD2 PHE 46 HD1 PHE 46 -11.183 -16.069 -1.870 203 HE1 PHE 46 HE2 PHE 46 -15.934 -17.338 -1.552 204 HE2 PHE 46 HE1 PHE 46 -12.865 -14.393 -1.223 205 HZ PHE 46 HZ PHE 46 -15.243 -15.026 -1.061 206 H ASN 47 HN ASN 47 -9.241 -17.894 -4.365 207 HA ASN 47 HA ASN 47 -9.863 -15.320 -5.195 208 HB2 ASN 47 HB2 ASN 47 -7.404 -17.022 -5.790 209 HB3 ASN 47 HB1 ASN 47 -7.506 -15.322 -6.229 210 HD21 ASN 47 HD21 ASN 47 -5.635 -16.652 -4.423 211 HD22 ASN 47 HD22 ASN 47 -5.798 -15.855 -2.901 212 H ALA 48 HN ALA 48 -10.759 -14.527 -6.975 213 HA ALA 48 HA ALA 48 -10.872 -15.951 -9.514 214 HB1 ALA 48 HB1 ALA 48 -11.751 -13.126 -8.784 215 HB2 ALA 48 HB2 ALA 48 -12.784 -14.559 -8.793 216 HB3 ALA 48 HB3 ALA 48 -12.097 -13.959 -10.303 217 H ILE 49 HN ILE 49 -10.311 -14.139 -11.476 218 HA ILE 49 HA ILE 49 -7.478 -14.098 -11.555 219 HB ILE 49 HB ILE 49 -8.842 -14.268 -13.619 220 HG12 ILE 49 HG12 ILE 49 -7.515 -12.695 -15.071 221 HG13 ILE 49 HG11 ILE 49 -6.979 -11.843 -13.627 222 HG21 ILE 49 HG21 ILE 49 -10.664 -12.738 -13.062 223 HG22 ILE 49 HG22 ILE 49 -9.947 -12.299 -14.615 224 HG23 ILE 49 HG23 ILE 49 -9.568 -11.359 -13.169 225 HD11 ILE 49 HD11 ILE 49 -6.356 -14.717 -14.315 226 HD12 ILE 49 HD12 ILE 49 -5.790 -13.852 -12.882 227 HD13 ILE 49 HD13 ILE 49 -5.269 -13.340 -14.486 228 H GLY 50 HN GLY 50 -9.859 -11.639 -10.706 229 HA2 GLY 50 HA2 GLY 50 -8.130 -9.378 -10.537 230 HA3 GLY 50 HA1 GLY 50 -9.701 -9.550 -9.764 231 H ASP 51 HN ASP 51 -9.317 -11.696 -8.107 232 HA ASP 51 HA ASP 51 -8.003 -10.583 -5.830 233 HB2 ASP 51 HB2 ASP 51 -8.939 -13.449 -6.253 234 HB3 ASP 51 HB1 ASP 51 -8.514 -12.725 -4.702 235 H ALA 52 HN ALA 52 -7.083 -12.888 -8.274 236 HA ALA 52 HA ALA 52 -4.746 -13.965 -7.044 237 HB1 ALA 52 HB1 ALA 52 -4.250 -14.875 -9.280 238 HB2 ALA 52 HB2 ALA 52 -5.535 -13.896 -9.984 239 HB3 ALA 52 HB3 ALA 52 -5.928 -15.177 -8.835 240 H VAL 53 HN VAL 53 -5.338 -11.443 -9.497 241 HA VAL 53 HA VAL 53 -2.661 -10.565 -9.773 242 HB VAL 53 HB VAL 53 -5.298 -9.181 -10.400 243 HG11 VAL 53 HG11 VAL 53 -2.510 -8.157 -11.084 244 HG12 VAL 53 HG12 VAL 53 -3.646 -7.393 -9.969 245 HG13 VAL 53 HG13 VAL 53 -4.028 -7.485 -11.689 246 HG21 VAL 53 HG21 VAL 53 -4.686 -9.665 -12.743 247 HG22 VAL 53 HG22 VAL 53 -4.735 -11.148 -11.789 248 HG23 VAL 53 HG23 VAL 53 -3.182 -10.418 -12.205 249 H SER 54 HN SER 54 -5.198 -9.751 -7.477 250 HA SER 54 HA SER 54 -3.919 -7.515 -6.243 251 HB2 SER 54 HB2 SER 54 -6.362 -7.986 -6.043 252 HB3 SER 54 HB1 SER 54 -6.004 -9.412 -5.071 253 HG SER 54 HG SER 54 -6.165 -6.828 -4.321 254 H ALA 55 HN ALA 55 -3.981 -10.999 -5.573 255 HA ALA 55 HA ALA 55 -2.534 -10.912 -3.116 256 HB1 ALA 55 HB1 ALA 55 -4.045 -12.763 -3.663 257 HB2 ALA 55 HB2 ALA 55 -2.419 -13.365 -3.334 258 HB3 ALA 55 HB3 ALA 55 -3.000 -13.246 -4.999 259 H VAL 56 HN VAL 56 -1.590 -11.424 -6.502 260 HA VAL 56 HA VAL 56 1.183 -11.954 -5.854 261 HB VAL 56 HB VAL 56 0.083 -13.007 -7.836 262 HG11 VAL 56 HG11 VAL 56 0.187 -10.260 -9.086 263 HG12 VAL 56 HG12 VAL 56 -1.265 -11.146 -8.633 264 HG13 VAL 56 HG13 VAL 56 -0.232 -11.761 -9.922 265 HG21 VAL 56 HG21 VAL 56 2.532 -11.348 -8.514 266 HG22 VAL 56 HG22 VAL 56 1.981 -12.774 -9.394 267 HG23 VAL 56 HG23 VAL 56 2.527 -12.927 -7.726 268 H SER 57 HN SER 57 -0.744 -9.140 -6.763 269 HA SER 57 HA SER 57 1.348 -7.308 -7.318 270 HB2 SER 57 HB2 SER 57 -1.008 -6.751 -7.785 271 HB3 SER 57 HB1 SER 57 -1.392 -6.794 -6.070 272 HG SER 57 HG SER 57 0.114 -4.905 -7.506 273 H ARG 58 HN ARG 58 -0.361 -8.167 -4.332 274 HA ARG 58 HA ARG 58 1.039 -6.470 -2.576 275 HB2 ARG 58 HB2 ARG 58 -1.176 -7.560 -2.073 276 HB3 ARG 58 HB1 ARG 58 -0.348 -9.102 -1.918 277 HG2 ARG 58 HG2 ARG 58 -0.752 -8.203 0.290 278 HG3 ARG 58 HG1 ARG 58 0.989 -8.173 -0.024 279 HD2 ARG 58 HD2 ARG 58 0.802 -5.759 -0.641 280 HD3 ARG 58 HD1 ARG 58 -0.919 -5.810 -0.233 281 HE ARG 58 HE ARG 58 0.570 -6.715 1.971 282 HH11 ARG 58 HH11 ARG 58 -0.010 -3.704 0.246 283 HH12 ARG 58 HH12 ARG 58 0.280 -2.721 1.644 284 HH21 ARG 58 HH21 ARG 58 0.968 -5.415 3.769 285 HH22 ARG 58 HH22 ARG 58 0.849 -3.689 3.635 286 H ARG 59 HN ARG 59 1.368 -9.973 -3.201 287 HA ARG 59 HA ARG 59 3.491 -10.497 -1.468 288 HB2 ARG 59 HB2 ARG 59 2.106 -12.292 -2.301 289 HB3 ARG 59 HB1 ARG 59 2.571 -11.972 -3.962 290 HG2 ARG 59 HG2 ARG 59 3.591 -14.038 -2.931 291 HG3 ARG 59 HG1 ARG 59 4.750 -12.918 -3.641 292 HD2 ARG 59 HD2 ARG 59 5.472 -13.904 -1.455 293 HD3 ARG 59 HD1 ARG 59 5.447 -12.139 -1.481 294 HE ARG 59 HE ARG 59 3.052 -13.402 -0.407 295 HH11 ARG 59 HH11 ARG 59 6.207 -12.007 0.343 296 HH12 ARG 59 HH12 ARG 59 5.806 -11.745 2.014 297 HH21 ARG 59 HH21 ARG 59 2.559 -13.010 1.779 298 HH22 ARG 59 HH22 ARG 59 3.753 -12.310 2.824 299 H ALA 60 HN ALA 60 3.597 -9.720 -4.964 300 HA ALA 60 HA ALA 60 6.361 -9.889 -5.395 301 HB1 ALA 60 HB1 ALA 60 6.004 -8.388 -7.316 302 HB2 ALA 60 HB2 ALA 60 4.402 -7.970 -6.696 303 HB3 ALA 60 HB3 ALA 60 4.741 -9.619 -7.226 304 H ASP 61 HN ASP 61 4.386 -7.174 -4.265 305 HA ASP 61 HA ASP 61 6.402 -5.210 -4.109 306 HB2 ASP 61 HB2 ASP 61 3.911 -4.800 -4.057 307 HB3 ASP 61 HB1 ASP 61 3.886 -5.406 -2.407 308 H GLU 62 HN GLU 62 5.222 -7.639 -1.787 309 HA GLU 62 HA GLU 62 6.807 -6.770 0.435 310 HB2 GLU 62 HB2 GLU 62 5.648 -9.560 0.041 311 HB3 GLU 62 HB1 GLU 62 6.116 -8.806 1.563 312 HG2 GLU 62 HG2 GLU 62 3.714 -8.192 -0.177 313 HG3 GLU 62 HG1 GLU 62 3.732 -8.817 1.462 314 H GLU 63 HN GLU 63 7.412 -8.862 -2.311 315 HA GLU 63 HA GLU 63 9.893 -9.987 -1.338 316 HB2 GLU 63 HB2 GLU 63 8.898 -9.785 -4.217 317 HB3 GLU 63 HB1 GLU 63 10.221 -10.800 -3.646 318 HG2 GLU 63 HG2 GLU 63 7.266 -11.113 -3.043 319 HG3 GLU 63 HG1 GLU 63 8.272 -12.161 -4.031 320 H GLY 64 HN GLY 64 8.999 -6.930 -2.434 321 HA2 GLY 64 HA2 GLY 64 10.330 -5.023 -2.517 322 HA3 GLY 64 HA1 GLY 64 11.775 -6.019 -2.619 323 H ALA 65 HN ALA 65 9.009 -6.508 -4.687 324 HA ALA 65 HA ALA 65 10.558 -5.800 -7.080 325 HB1 ALA 65 HB1 ALA 65 9.459 -8.013 -7.037 326 HB2 ALA 65 HB2 ALA 65 8.822 -6.995 -8.329 327 HB3 ALA 65 HB3 ALA 65 7.883 -7.233 -6.852 328 H ALA 66 HN ALA 66 10.155 -4.034 -8.203 329 HA ALA 66 HA ALA 66 8.235 -2.041 -7.535 330 HB1 ALA 66 HB1 ALA 66 10.367 -1.508 -8.647 331 HB2 ALA 66 HB2 ALA 66 9.006 -0.943 -9.616 332 HB3 ALA 66 HB3 ALA 66 9.869 -2.417 -10.076 333 H SER 67 HN SER 67 8.387 -4.674 -9.831 334 HA SER 67 HA SER 67 5.598 -4.309 -10.637 335 HB2 SER 67 HB2 SER 67 7.156 -3.124 -12.287 336 HB3 SER 67 HB1 SER 67 7.854 -4.702 -12.666 337 HG SER 67 HG SER 67 5.096 -4.073 -12.874 338 H PHE 68 HN PHE 68 4.907 -6.220 -11.984 339 HA PHE 68 HA PHE 68 6.443 -8.689 -11.755 340 HB2 PHE 68 HB2 PHE 68 4.692 -9.992 -10.700 341 HB3 PHE 68 HB1 PHE 68 4.976 -8.600 -9.668 342 HD1 PHE 68 HD2 PHE 68 3.247 -6.825 -9.451 343 HD2 PHE 68 HD1 PHE 68 2.560 -10.267 -11.903 344 HE1 PHE 68 HE2 PHE 68 0.841 -6.307 -9.531 345 HE2 PHE 68 HE1 PHE 68 0.165 -9.728 -11.977 346 HZ PHE 68 HZ PHE 68 -0.695 -7.759 -10.789 347 H TYR 69 HN TYR 69 5.236 -10.436 -13.047 348 HA TYR 69 HA TYR 69 3.232 -9.536 -14.925 349 HB2 TYR 69 HB2 TYR 69 5.219 -8.924 -16.193 350 HB3 TYR 69 HB1 TYR 69 5.988 -10.470 -15.858 351 HD1 TYR 69 HD1 TYR 69 2.970 -9.004 -17.566 352 HD2 TYR 69 HD2 TYR 69 5.773 -12.232 -17.452 353 HE1 TYR 69 HE1 TYR 69 2.003 -9.923 -19.629 354 HE2 TYR 69 HE2 TYR 69 4.803 -13.149 -19.516 355 HH TYR 69 HH TYR 69 2.763 -13.079 -20.776 356 H VAL 70 HN VAL 70 1.776 -11.074 -14.806 357 HA VAL 70 HA VAL 70 2.202 -13.714 -13.864 358 HB VAL 70 HB VAL 70 -0.166 -12.565 -15.420 359 HG11 VAL 70 HG11 VAL 70 -1.460 -14.467 -14.492 360 HG12 VAL 70 HG12 VAL 70 0.018 -15.126 -13.788 361 HG13 VAL 70 HG13 VAL 70 -0.152 -15.016 -15.541 362 HG21 VAL 70 HG21 VAL 70 -1.259 -12.293 -13.215 363 HG22 VAL 70 HG22 VAL 70 0.233 -11.353 -13.296 364 HG23 VAL 70 HG23 VAL 70 0.201 -12.878 -12.408 365 H VAL 71 HN VAL 71 3.555 -14.989 -14.992 366 HA VAL 71 HA VAL 71 3.711 -14.990 -17.892 367 HB VAL 71 HB VAL 71 5.779 -15.238 -16.586 368 HG11 VAL 71 HG11 VAL 71 4.945 -16.382 -14.591 369 HG12 VAL 71 HG12 VAL 71 6.301 -17.276 -15.281 370 HG13 VAL 71 HG13 VAL 71 4.649 -17.852 -15.525 371 HG21 VAL 71 HG21 VAL 71 5.762 -16.247 -18.832 372 HG22 VAL 71 HG22 VAL 71 5.177 -17.773 -18.161 373 HG23 VAL 71 HG23 VAL 71 6.786 -17.184 -17.739 374 H ASP 72 HN ASP 72 2.184 -16.844 -15.350 375 HA ASP 72 HA ASP 72 0.872 -18.600 -17.252 376 HB2 ASP 72 HB2 ASP 72 3.074 -19.700 -16.834 377 HB3 ASP 72 HB1 ASP 72 2.734 -19.716 -15.108 378 H THR 73 HN THR 73 -0.936 -19.567 -16.461 379 HA THR 73 HA THR 73 -1.710 -19.449 -13.631 380 HB THR 73 HB THR 73 -4.098 -18.803 -14.448 381 HG1 THR 73 HG1 THR 73 -3.184 -19.013 -16.782 382 HG21 THR 73 HG21 THR 73 -3.695 -16.381 -14.405 383 HG22 THR 73 HG22 THR 73 -1.974 -16.656 -14.682 384 HG23 THR 73 HG23 THR 73 -2.718 -17.197 -13.180 385 H SER 74 HN SER 74 -2.055 -21.590 -13.190 386 HA SER 74 HA SER 74 -3.575 -23.251 -15.083 387 HB2 SER 74 HB2 SER 74 -0.820 -24.045 -14.015 388 HB3 SER 74 HB1 SER 74 -1.912 -25.110 -14.906 389 HG SER 74 HG SER 74 -0.600 -22.772 -15.840 390 H GLU 75 HN GLU 75 -4.687 -24.913 -14.158 391 HA GLU 75 HA GLU 75 -5.479 -24.865 -11.474 392 HB2 GLU 75 HB2 GLU 75 -5.817 -26.840 -13.744 393 HB3 GLU 75 HB1 GLU 75 -6.413 -27.248 -12.140 394 HG2 GLU 75 HG2 GLU 75 -7.259 -24.619 -13.349 395 HG3 GLU 75 HG1 GLU 75 -7.975 -26.106 -13.977 396 H PHE 76 HN PHE 76 -4.837 -25.989 -9.690 397 HA PHE 76 HA PHE 76 -2.246 -27.367 -9.810 398 HB2 PHE 76 HB2 PHE 76 -2.702 -25.363 -8.261 399 HB3 PHE 76 HB1 PHE 76 -3.759 -26.416 -7.338 400 HD1 PHE 76 HD2 PHE 76 -0.283 -26.676 -8.787 401 HD2 PHE 76 HD1 PHE 76 -2.776 -27.188 -5.347 402 HE1 PHE 76 HE2 PHE 76 1.651 -27.489 -7.495 403 HE2 PHE 76 HE1 PHE 76 -0.831 -28.006 -4.071 404 HZ PHE 76 HZ PHE 76 1.380 -28.156 -5.146 405 H GLY 77 HN GLY 77 -4.732 -28.678 -10.675 406 HA2 GLY 77 HA2 GLY 77 -4.690 -31.215 -10.085 407 HA3 GLY 77 HA1 GLY 77 -5.352 -30.635 -8.560 408 H ASN 78 HN ASN 78 -6.448 -28.590 -10.910 409 HA ASN 78 HA ASN 78 -8.364 -28.181 -11.971 410 HB2 ASN 78 HB2 ASN 78 -7.629 -29.990 -13.474 411 HB3 ASN 78 HB1 ASN 78 -8.443 -31.181 -12.460 412 HD21 ASN 78 HD21 ASN 78 -8.939 -28.493 -14.710 413 HD22 ASN 78 HD22 ASN 78 -10.579 -28.884 -15.094 414 H SER 79 HN SER 79 -9.343 -27.412 -10.073 415 HA SER 79 HA SER 79 -11.841 -28.638 -9.350 416 HB2 SER 79 HB2 SER 79 -10.153 -30.038 -8.026 417 HB3 SER 79 HB1 SER 79 -9.748 -28.585 -7.118 418 HG SER 79 HG SER 79 -12.240 -29.928 -7.236 419 H GLY 80 HN GLY 80 -10.561 -26.034 -10.207 420 HA2 GLY 80 HA2 GLY 80 -10.806 -23.773 -9.841 421 HA3 GLY 80 HA1 GLY 80 -11.928 -24.140 -8.536 422 H ASN 81 HN ASN 81 -8.751 -25.522 -8.565 423 HA ASN 81 HA ASN 81 -7.931 -23.953 -6.197 424 HB2 ASN 81 HB2 ASN 81 -6.520 -25.889 -5.603 425 HB3 ASN 81 HB1 ASN 81 -8.191 -26.380 -5.785 426 HD21 ASN 81 HD21 ASN 81 -5.713 -27.932 -5.933 427 HD22 ASN 81 HD22 ASN 81 -5.765 -28.755 -7.445 428 H TRP 82 HN TRP 82 -7.664 -23.142 -8.971 429 HA TRP 82 HA TRP 82 -5.182 -23.701 -10.122 430 HB2 TRP 82 HB2 TRP 82 -5.690 -21.887 -11.689 431 HB3 TRP 82 HB1 TRP 82 -7.139 -22.836 -11.393 432 HD1 TRP 82 HD1 TRP 82 -8.767 -21.577 -9.261 433 HE1 TRP 82 HE1 TRP 82 -9.432 -19.092 -9.184 434 HE3 TRP 82 HE3 TRP 82 -5.166 -19.652 -12.353 435 HZ2 TRP 82 HZ2 TRP 82 -8.570 -16.660 -10.285 436 HZ3 TRP 82 HZ3 TRP 82 -5.164 -17.231 -12.787 437 HH2 TRP 82 HH2 TRP 82 -6.829 -15.765 -11.775 438 H ARG 83 HN ARG 83 -3.240 -22.882 -9.910 439 HA ARG 83 HA ARG 83 -2.729 -20.628 -8.078 440 HB2 ARG 83 HB2 ARG 83 -0.396 -21.572 -7.940 441 HB3 ARG 83 HB1 ARG 83 -1.650 -22.619 -7.304 442 HG2 ARG 83 HG2 ARG 83 -0.257 -24.096 -8.429 443 HG3 ARG 83 HG1 ARG 83 -1.563 -23.833 -9.582 444 HD2 ARG 83 HD2 ARG 83 -0.171 -22.322 -10.883 445 HD3 ARG 83 HD1 ARG 83 1.108 -22.392 -9.663 446 HE ARG 83 HE ARG 83 1.070 -24.914 -10.228 447 HH11 ARG 83 HH11 ARG 83 0.552 -22.381 -12.577 448 HH12 ARG 83 HH12 ARG 83 1.279 -23.260 -13.875 449 HH21 ARG 83 HH21 ARG 83 2.024 -26.065 -11.937 450 HH22 ARG 83 HH22 ARG 83 2.124 -25.345 -13.513 451 H VAL 84 HN VAL 84 -1.092 -19.123 -8.643 452 HA VAL 84 HA VAL 84 -0.915 -18.559 -11.535 453 HB VAL 84 HB VAL 84 -1.073 -16.577 -9.222 454 HG11 VAL 84 HG11 VAL 84 -1.232 -14.837 -10.990 455 HG12 VAL 84 HG12 VAL 84 -0.926 -16.075 -12.212 456 HG13 VAL 84 HG13 VAL 84 0.318 -15.684 -11.023 457 HG21 VAL 84 HG21 VAL 84 -3.139 -17.343 -11.315 458 HG22 VAL 84 HG22 VAL 84 -3.289 -15.982 -10.210 459 HG23 VAL 84 HG23 VAL 84 -3.240 -17.627 -9.574 460 H VAL 85 HN VAL 85 1.051 -18.621 -12.295 461 HA VAL 85 HA VAL 85 3.429 -18.235 -10.598 462 HB VAL 85 HB VAL 85 3.272 -19.238 -13.482 463 HG11 VAL 85 HG11 VAL 85 5.481 -18.364 -12.856 464 HG12 VAL 85 HG12 VAL 85 5.541 -20.115 -13.073 465 HG13 VAL 85 HG13 VAL 85 5.518 -19.428 -11.446 466 HG21 VAL 85 HG21 VAL 85 2.008 -20.774 -12.049 467 HG22 VAL 85 HG22 VAL 85 3.368 -20.888 -10.928 468 HG23 VAL 85 HG23 VAL 85 3.517 -21.528 -12.566 469 H ALA 86 HN ALA 86 4.467 -16.286 -10.741 470 HA ALA 86 HA ALA 86 4.202 -14.594 -13.126 471 HB1 ALA 86 HB1 ALA 86 2.336 -13.936 -11.651 472 HB2 ALA 86 HB2 ALA 86 3.524 -12.642 -11.800 473 HB3 ALA 86 HB3 ALA 86 3.474 -13.629 -10.335 474 H ASP 87 HN ASP 87 6.133 -13.800 -13.645 475 HA ASP 87 HA ASP 87 8.447 -13.881 -11.961 476 HB2 ASP 87 HB2 ASP 87 7.906 -12.577 -14.659 477 HB3 ASP 87 HB1 ASP 87 9.488 -12.586 -13.885 478 H VAL 88 HN VAL 88 9.497 -12.138 -10.934 479 HA VAL 88 HA VAL 88 7.940 -9.627 -10.686 480 HB VAL 88 HB VAL 88 8.818 -9.410 -8.377 481 HG11 VAL 88 HG11 VAL 88 7.316 -12.007 -8.874 482 HG12 VAL 88 HG12 VAL 88 6.603 -10.395 -8.742 483 HG13 VAL 88 HG13 VAL 88 7.384 -11.128 -7.342 484 HG21 VAL 88 HG21 VAL 88 9.872 -11.314 -7.210 485 HG22 VAL 88 HG22 VAL 88 10.886 -10.750 -8.537 486 HG23 VAL 88 HG23 VAL 88 9.933 -12.223 -8.725 487 H TYR 89 HN TYR 89 8.966 -7.708 -10.844 488 HA TYR 89 HA TYR 89 11.705 -7.726 -11.959 489 HB2 TYR 89 HB2 TYR 89 9.290 -5.999 -12.721 490 HB3 TYR 89 HB1 TYR 89 10.908 -5.792 -13.382 491 HD1 TYR 89 HD1 TYR 89 8.092 -8.248 -13.145 492 HD2 TYR 89 HD2 TYR 89 11.570 -7.045 -15.324 493 HE1 TYR 89 HE1 TYR 89 7.538 -9.858 -14.918 494 HE2 TYR 89 HE2 TYR 89 11.011 -8.654 -17.100 495 HH TYR 89 HH TYR 89 9.722 -10.750 -17.354 496 H LYS 90 HN LYS 90 13.137 -6.436 -11.007 497 HA LYS 90 HA LYS 90 12.414 -4.613 -8.833 498 HB2 LYS 90 HB2 LYS 90 14.316 -6.516 -8.907 499 HB3 LYS 90 HB1 LYS 90 15.268 -5.248 -9.637 500 HG2 LYS 90 HG2 LYS 90 13.922 -4.998 -6.932 501 HG3 LYS 90 HG1 LYS 90 15.560 -5.608 -7.150 502 HD2 LYS 90 HD2 LYS 90 14.663 -2.843 -8.046 503 HD3 LYS 90 HD1 LYS 90 15.355 -3.185 -6.461 504 HE2 LYS 90 HE2 LYS 90 17.142 -2.356 -7.800 505 HE3 LYS 90 HE1 LYS 90 17.409 -4.090 -7.665 506 HZ1 LYS 90 HZ1 LYS 90 17.787 -3.223 -9.903 507 HZ2 LYS 90 HZ2 LYS 90 16.173 -2.741 -10.007 508 HZ3 LYS 90 HZ3 LYS 90 16.558 -4.381 -9.880 509 H ALA 91 HN ALA 91 12.737 -2.407 -8.988 510 HA ALA 91 HA ALA 91 13.394 -1.225 -11.575 511 HB1 ALA 91 HB1 ALA 91 11.487 -0.318 -10.310 512 HB2 ALA 91 HB2 ALA 91 12.723 0.921 -10.528 513 HB3 ALA 91 HB3 ALA 91 12.543 0.107 -8.969 Start of MODEL 20 1 H HIS 21 HT1 HIS 21 1.842 2.242 -1.448 2 HA HIS 21 HA HIS 21 3.593 0.606 -1.740 3 HB2 HIS 21 HB2 HIS 21 2.852 1.301 0.525 4 HB3 HIS 21 HB1 HIS 21 1.639 0.032 0.533 5 HD1 HIS 21 HD1 HIS 21 2.325 -1.918 1.878 6 HD2 HIS 21 HD2 HIS 21 5.621 -0.021 0.192 7 HE1 HIS 21 HE1 HIS 21 4.323 -3.182 2.695 8 HE2 HIS 21 HE2 HIS 21 6.267 -2.155 1.502 9 H ALA 22 HN ALA 22 2.918 -0.425 -3.759 10 HA ALA 22 HA ALA 22 2.559 -3.257 -3.528 11 HB1 ALA 22 HB1 ALA 22 0.333 -1.687 -4.892 12 HB2 ALA 22 HB2 ALA 22 0.181 -2.592 -3.387 13 HB3 ALA 22 HB3 ALA 22 0.504 -3.447 -4.897 14 H ALA 23 HN ALA 23 3.205 -4.312 -5.450 15 HA ALA 23 HA ALA 23 4.843 -2.812 -7.264 16 HB1 ALA 23 HB1 ALA 23 5.275 -4.979 -8.351 17 HB2 ALA 23 HB2 ALA 23 3.989 -5.724 -7.393 18 HB3 ALA 23 HB3 ALA 23 5.431 -5.101 -6.596 19 H THR 24 HN THR 24 4.456 -2.328 -9.410 20 HA THR 24 HA THR 24 1.713 -1.970 -10.236 21 HB THR 24 HB THR 24 4.286 -1.300 -11.740 22 HG1 THR 24 HG1 THR 24 4.478 -0.061 -10.004 23 HG21 THR 24 HG21 THR 24 1.474 -0.143 -12.015 24 HG22 THR 24 HG22 THR 24 2.265 -1.202 -13.185 25 HG23 THR 24 HG23 THR 24 2.907 0.413 -12.883 26 H GLU 25 HN GLU 25 0.694 -2.986 -12.003 27 HA GLU 25 HA GLU 25 1.582 -5.565 -12.820 28 HB2 GLU 25 HB2 GLU 25 -0.829 -4.862 -12.705 29 HB3 GLU 25 HB1 GLU 25 -0.568 -3.825 -14.106 30 HG2 GLU 25 HG2 GLU 25 0.045 -5.862 -15.438 31 HG3 GLU 25 HG1 GLU 25 -0.345 -6.861 -14.039 32 H LEU 26 HN LEU 26 2.787 -6.135 -14.559 33 HA LEU 26 HA LEU 26 3.758 -4.043 -16.410 34 HB2 LEU 26 HB2 LEU 26 5.404 -5.190 -14.755 35 HB3 LEU 26 HB1 LEU 26 5.200 -6.635 -15.731 36 HG LEU 26 HG LEU 26 6.032 -5.324 -17.733 37 HD11 LEU 26 HD11 LEU 26 7.223 -3.198 -17.350 38 HD12 LEU 26 HD12 LEU 26 6.685 -3.183 -15.670 39 HD13 LEU 26 HD13 LEU 26 5.506 -3.046 -16.980 40 HD21 LEU 26 HD21 LEU 26 7.542 -6.813 -16.506 41 HD22 LEU 26 HD22 LEU 26 7.956 -5.503 -15.395 42 HD23 LEU 26 HD23 LEU 26 8.401 -5.392 -17.100 43 H THR 27 HN THR 27 3.126 -4.298 -18.443 44 HA THR 27 HA THR 27 1.367 -6.365 -19.267 45 HB THR 27 HB THR 27 1.454 -5.188 -21.488 46 HG1 THR 27 HG1 THR 27 2.772 -3.329 -21.637 47 HG21 THR 27 HG21 THR 27 0.541 -3.032 -20.737 48 HG22 THR 27 HG22 THR 27 1.212 -3.281 -19.124 49 HG23 THR 27 HG23 THR 27 -0.074 -4.335 -19.721 50 HA PRO 28 HA PRO 28 3.739 -9.811 -20.796 51 HB2 PRO 28 HB2 PRO 28 2.418 -9.199 -23.458 52 HB3 PRO 28 HB1 PRO 28 2.650 -10.766 -22.664 53 HG2 PRO 28 HG2 PRO 28 0.291 -9.516 -22.542 54 HG3 PRO 28 HG1 PRO 28 0.928 -10.378 -21.122 55 HD2 PRO 28 HD2 PRO 28 0.722 -7.435 -21.611 56 HD3 PRO 28 HD1 PRO 28 0.725 -8.323 -20.075 57 H GLU 29 HN GLU 29 3.717 -7.091 -23.118 58 HA GLU 29 HA GLU 29 6.109 -7.904 -24.483 59 HB2 GLU 29 HB2 GLU 29 4.667 -5.228 -24.522 60 HB3 GLU 29 HB1 GLU 29 5.936 -5.721 -25.651 61 HG2 GLU 29 HG2 GLU 29 4.484 -7.582 -26.431 62 HG3 GLU 29 HG1 GLU 29 3.216 -7.037 -25.337 63 H GLN 30 HN GLN 30 5.393 -5.533 -21.944 64 HA GLN 30 HA GLN 30 8.063 -4.467 -21.747 65 HB2 GLN 30 HB2 GLN 30 5.667 -4.304 -19.872 66 HB3 GLN 30 HB1 GLN 30 7.191 -3.462 -19.587 67 HG2 GLN 30 HG2 GLN 30 5.394 -3.037 -21.999 68 HG3 GLN 30 HG1 GLN 30 5.460 -1.999 -20.577 69 HE21 GLN 30 HE21 GLN 30 8.362 -2.103 -20.280 70 HE22 GLN 30 HE22 GLN 30 9.029 -1.181 -21.578 71 H ALA 31 HN ALA 31 6.379 -7.167 -20.397 72 HA ALA 31 HA ALA 31 8.237 -7.841 -18.306 73 HB1 ALA 31 HB1 ALA 31 6.930 -9.923 -18.170 74 HB2 ALA 31 HB2 ALA 31 6.085 -9.497 -19.662 75 HB3 ALA 31 HB3 ALA 31 5.875 -8.510 -18.216 76 H ALA 32 HN ALA 32 7.768 -8.661 -21.684 77 HA ALA 32 HA ALA 32 9.864 -10.618 -21.900 78 HB1 ALA 32 HB1 ALA 32 7.962 -10.571 -23.469 79 HB2 ALA 32 HB2 ALA 32 9.490 -10.396 -24.333 80 HB3 ALA 32 HB3 ALA 32 8.467 -8.984 -24.050 81 H ALA 33 HN ALA 33 9.668 -7.152 -21.926 82 HA ALA 33 HA ALA 33 12.198 -6.616 -23.214 83 HB1 ALA 33 HB1 ALA 33 11.761 -4.277 -22.592 84 HB2 ALA 33 HB2 ALA 33 10.397 -4.784 -21.590 85 HB3 ALA 33 HB3 ALA 33 10.339 -5.008 -23.339 86 H LEU 34 HN LEU 34 10.980 -6.593 -19.852 87 HA LEU 34 HA LEU 34 13.640 -5.952 -18.785 88 HB2 LEU 34 HB2 LEU 34 10.957 -6.267 -17.376 89 HB3 LEU 34 HB1 LEU 34 12.452 -5.772 -16.592 90 HG LEU 34 HG LEU 34 10.953 -4.197 -18.728 91 HD11 LEU 34 HD11 LEU 34 9.812 -4.133 -16.559 92 HD12 LEU 34 HD12 LEU 34 10.501 -2.558 -16.941 93 HD13 LEU 34 HD13 LEU 34 11.299 -3.609 -15.767 94 HD21 LEU 34 HD21 LEU 34 13.358 -3.826 -18.983 95 HD22 LEU 34 HD22 LEU 34 13.512 -3.449 -17.265 96 HD23 LEU 34 HD23 LEU 34 12.589 -2.382 -18.326 97 H LYS 35 HN LYS 35 14.780 -7.280 -17.416 98 HA LYS 35 HA LYS 35 14.158 -10.148 -17.475 99 HB2 LYS 35 HB2 LYS 35 16.434 -9.445 -18.178 100 HB3 LYS 35 HB1 LYS 35 16.705 -8.707 -16.600 101 HG2 LYS 35 HG2 LYS 35 16.483 -10.949 -15.533 102 HG3 LYS 35 HG1 LYS 35 16.251 -11.669 -17.127 103 HD2 LYS 35 HD2 LYS 35 18.525 -10.884 -17.778 104 HD3 LYS 35 HD1 LYS 35 18.751 -10.240 -16.148 105 HE2 LYS 35 HE2 LYS 35 19.854 -12.397 -16.321 106 HE3 LYS 35 HE1 LYS 35 18.467 -12.546 -15.243 107 HZ1 LYS 35 HZ1 LYS 35 17.211 -13.466 -17.148 108 HZ2 LYS 35 HZ2 LYS 35 18.532 -14.416 -16.699 109 HZ3 LYS 35 HZ3 LYS 35 18.630 -13.432 -18.070 110 HA PRO 36 HA PRO 36 12.810 -9.583 -13.129 111 HB2 PRO 36 HB2 PRO 36 11.737 -12.045 -12.747 112 HB3 PRO 36 HB1 PRO 36 10.934 -10.833 -13.761 113 HG2 PRO 36 HG2 PRO 36 12.667 -13.157 -14.598 114 HG3 PRO 36 HG1 PRO 36 11.112 -12.621 -15.274 115 HD2 PRO 36 HD2 PRO 36 13.535 -11.987 -16.400 116 HD3 PRO 36 HD1 PRO 36 12.099 -10.950 -16.547 117 H TYR 37 HN TYR 37 13.510 -10.308 -11.095 118 HA TYR 37 HA TYR 37 16.118 -11.662 -11.093 119 HB2 TYR 37 HB2 TYR 37 16.425 -10.704 -8.845 120 HB3 TYR 37 HB1 TYR 37 16.052 -9.463 -10.027 121 HD1 TYR 37 HD1 TYR 37 13.654 -8.484 -10.048 122 HD2 TYR 37 HD2 TYR 37 15.106 -10.920 -6.850 123 HE1 TYR 37 HE1 TYR 37 11.904 -7.596 -8.566 124 HE2 TYR 37 HE2 TYR 37 13.355 -10.036 -5.382 125 HH TYR 37 HH TYR 37 11.956 -8.034 -5.210 126 H ASP 38 HN ASP 38 12.883 -12.412 -10.445 127 HA ASP 38 HA ASP 38 13.415 -14.972 -9.297 128 HB2 ASP 38 HB2 ASP 38 13.828 -13.543 -7.295 129 HB3 ASP 38 HB1 ASP 38 12.236 -12.812 -7.469 130 H ARG 39 HN ARG 39 11.392 -16.170 -8.886 131 HA ARG 39 HA ARG 39 8.912 -15.004 -10.023 132 HB2 ARG 39 HB2 ARG 39 9.940 -17.876 -10.085 133 HB3 ARG 39 HB1 ARG 39 8.257 -17.475 -10.397 134 HG2 ARG 39 HG2 ARG 39 8.757 -17.175 -12.570 135 HG3 ARG 39 HG1 ARG 39 9.742 -15.791 -12.127 136 HD2 ARG 39 HD2 ARG 39 10.764 -18.639 -12.276 137 HD3 ARG 39 HD1 ARG 39 10.908 -17.461 -13.580 138 HE ARG 39 HE ARG 39 12.419 -17.540 -11.077 139 HH11 ARG 39 HH11 ARG 39 11.638 -15.604 -13.900 140 HH12 ARG 39 HH12 ARG 39 13.140 -14.741 -13.862 141 HH21 ARG 39 HH21 ARG 39 14.352 -16.364 -11.005 142 HH22 ARG 39 HH22 ARG 39 14.670 -15.154 -12.207 143 H ILE 40 HN ILE 40 7.323 -14.777 -8.557 144 HA ILE 40 HA ILE 40 7.397 -16.195 -5.982 145 HB ILE 40 HB ILE 40 5.520 -14.695 -5.309 146 HG12 ILE 40 HG12 ILE 40 5.904 -13.384 -8.055 147 HG13 ILE 40 HG11 ILE 40 4.496 -14.321 -7.569 148 HG21 ILE 40 HG21 ILE 40 6.852 -12.610 -5.152 149 HG22 ILE 40 HG22 ILE 40 7.954 -13.216 -6.389 150 HG23 ILE 40 HG23 ILE 40 7.843 -14.035 -4.830 151 HD11 ILE 40 HD11 ILE 40 3.922 -12.626 -5.924 152 HD12 ILE 40 HD12 ILE 40 4.086 -11.930 -7.534 153 HD13 ILE 40 HD13 ILE 40 5.369 -11.705 -6.349 154 H VAL 41 HN VAL 41 5.486 -17.168 -5.163 155 HA VAL 41 HA VAL 41 3.716 -18.478 -7.140 156 HB VAL 41 HB VAL 41 5.319 -19.787 -4.875 157 HG11 VAL 41 HG11 VAL 41 4.178 -21.927 -5.419 158 HG12 VAL 41 HG12 VAL 41 3.095 -21.059 -6.505 159 HG13 VAL 41 HG13 VAL 41 3.059 -20.723 -4.776 160 HG21 VAL 41 HG21 VAL 41 6.567 -19.536 -6.987 161 HG22 VAL 41 HG22 VAL 41 5.283 -20.372 -7.863 162 HG23 VAL 41 HG23 VAL 41 6.234 -21.238 -6.654 163 H ILE 42 HN ILE 42 1.652 -17.980 -6.605 164 HA ILE 42 HA ILE 42 0.797 -18.371 -3.796 165 HB ILE 42 HB ILE 42 -0.886 -16.581 -3.910 166 HG12 ILE 42 HG12 ILE 42 -0.268 -14.802 -5.974 167 HG13 ILE 42 HG11 ILE 42 -0.086 -16.354 -6.779 168 HG21 ILE 42 HG21 ILE 42 1.259 -15.988 -2.917 169 HG22 ILE 42 HG22 ILE 42 0.554 -14.587 -3.726 170 HG23 ILE 42 HG23 ILE 42 1.876 -15.473 -4.489 171 HD11 ILE 42 HD11 ILE 42 -2.297 -15.417 -7.082 172 HD12 ILE 42 HD12 ILE 42 -2.551 -15.380 -5.339 173 HD13 ILE 42 HD13 ILE 42 -2.387 -16.928 -6.177 174 H THR 43 HN THR 43 -1.653 -18.839 -3.756 175 HA THR 43 HA THR 43 -2.434 -20.432 -6.144 176 HB THR 43 HB THR 43 -3.516 -22.055 -4.497 177 HG1 THR 43 HG1 THR 43 -3.159 -20.366 -2.703 178 HG21 THR 43 HG21 THR 43 -1.386 -22.606 -5.609 179 HG22 THR 43 HG22 THR 43 -1.432 -23.257 -3.970 180 HG23 THR 43 HG23 THR 43 -0.497 -21.800 -4.312 181 H GLY 44 HN GLY 44 -4.154 -19.542 -7.042 182 HA2 GLY 44 HA2 GLY 44 -6.125 -17.956 -5.642 183 HA3 GLY 44 HA1 GLY 44 -6.149 -18.442 -7.338 184 H ARG 45 HN ARG 45 -7.078 -19.339 -4.087 185 HA ARG 45 HA ARG 45 -8.123 -21.959 -4.915 186 HB2 ARG 45 HB2 ARG 45 -7.805 -20.667 -2.193 187 HB3 ARG 45 HB1 ARG 45 -8.498 -22.271 -2.445 188 HG2 ARG 45 HG2 ARG 45 -6.407 -23.090 -3.371 189 HG3 ARG 45 HG1 ARG 45 -5.697 -21.471 -3.306 190 HD2 ARG 45 HD2 ARG 45 -4.887 -22.840 -1.448 191 HD3 ARG 45 HD1 ARG 45 -5.858 -21.493 -0.849 192 HE ARG 45 HE ARG 45 -7.643 -23.550 -1.055 193 HH11 ARG 45 HH11 ARG 45 -4.588 -23.177 0.625 194 HH12 ARG 45 HH12 ARG 45 -5.019 -24.279 1.893 195 HH21 ARG 45 HH21 ARG 45 -8.194 -24.983 0.625 196 HH22 ARG 45 HH22 ARG 45 -7.055 -25.298 1.898 197 H PHE 46 HN PHE 46 -9.911 -21.528 -6.079 198 HA PHE 46 HA PHE 46 -12.029 -21.031 -6.652 199 HB2 PHE 46 HB2 PHE 46 -12.491 -21.141 -3.632 200 HB3 PHE 46 HB1 PHE 46 -13.776 -21.126 -4.839 201 HD1 PHE 46 HD2 PHE 46 -10.962 -23.138 -3.461 202 HD2 PHE 46 HD1 PHE 46 -14.353 -23.142 -6.067 203 HE1 PHE 46 HE2 PHE 46 -10.810 -25.578 -3.655 204 HE2 PHE 46 HE1 PHE 46 -14.187 -25.590 -6.255 205 HZ PHE 46 HZ PHE 46 -12.419 -26.810 -5.050 206 H ASN 47 HN ASN 47 -10.332 -19.010 -6.738 207 HA ASN 47 HA ASN 47 -11.666 -16.584 -5.680 208 HB2 ASN 47 HB2 ASN 47 -8.723 -17.040 -6.366 209 HB3 ASN 47 HB1 ASN 47 -9.407 -15.515 -5.832 210 HD21 ASN 47 HD21 ASN 47 -11.114 -16.705 -3.759 211 HD22 ASN 47 HD22 ASN 47 -10.047 -17.221 -2.506 212 H ALA 48 HN ALA 48 -11.361 -14.655 -7.059 213 HA ALA 48 HA ALA 48 -11.661 -15.152 -9.911 214 HB1 ALA 48 HB1 ALA 48 -12.065 -12.719 -10.056 215 HB2 ALA 48 HB2 ALA 48 -11.628 -12.534 -8.355 216 HB3 ALA 48 HB3 ALA 48 -13.068 -13.449 -8.801 217 H ILE 49 HN ILE 49 -10.361 -13.766 -11.444 218 HA ILE 49 HA ILE 49 -7.582 -14.159 -11.182 219 HB ILE 49 HB ILE 49 -8.668 -13.989 -13.397 220 HG12 ILE 49 HG12 ILE 49 -6.956 -12.564 -14.551 221 HG13 ILE 49 HG11 ILE 49 -6.508 -11.852 -13.006 222 HG21 ILE 49 HG21 ILE 49 -9.347 -11.811 -14.351 223 HG22 ILE 49 HG22 ILE 49 -9.041 -11.032 -12.798 224 HG23 ILE 49 HG23 ILE 49 -10.320 -12.239 -12.943 225 HD11 ILE 49 HD11 ILE 49 -5.711 -14.046 -12.244 226 HD12 ILE 49 HD12 ILE 49 -4.908 -13.521 -13.723 227 HD13 ILE 49 HD13 ILE 49 -6.174 -14.744 -13.800 228 H GLY 50 HN GLY 50 -9.675 -11.423 -10.423 229 HA2 GLY 50 HA2 GLY 50 -7.764 -9.399 -9.969 230 HA3 GLY 50 HA1 GLY 50 -9.366 -9.481 -9.255 231 H ASP 51 HN ASP 51 -8.873 -12.046 -7.918 232 HA ASP 51 HA ASP 51 -7.624 -11.126 -5.483 233 HB2 ASP 51 HB2 ASP 51 -8.670 -13.885 -6.261 234 HB3 ASP 51 HB1 ASP 51 -8.102 -13.460 -4.650 235 H ALA 52 HN ALA 52 -6.755 -13.283 -8.141 236 HA ALA 52 HA ALA 52 -4.317 -14.306 -7.096 237 HB1 ALA 52 HB1 ALA 52 -3.797 -14.931 -9.427 238 HB2 ALA 52 HB2 ALA 52 -5.139 -13.937 -10.001 239 HB3 ALA 52 HB3 ALA 52 -5.458 -15.359 -9.008 240 H VAL 53 HN VAL 53 -5.038 -11.582 -9.260 241 HA VAL 53 HA VAL 53 -2.423 -10.564 -9.560 242 HB VAL 53 HB VAL 53 -5.127 -9.186 -9.912 243 HG11 VAL 53 HG11 VAL 53 -3.386 -7.467 -9.586 244 HG12 VAL 53 HG12 VAL 53 -3.942 -7.467 -11.259 245 HG13 VAL 53 HG13 VAL 53 -2.395 -8.208 -10.844 246 HG21 VAL 53 HG21 VAL 53 -4.771 -9.587 -12.334 247 HG22 VAL 53 HG22 VAL 53 -4.788 -11.104 -11.435 248 HG23 VAL 53 HG23 VAL 53 -3.256 -10.420 -11.980 249 H SER 54 HN SER 54 -4.942 -10.017 -7.154 250 HA SER 54 HA SER 54 -3.868 -7.786 -5.792 251 HB2 SER 54 HB2 SER 54 -6.197 -8.581 -5.467 252 HB3 SER 54 HB1 SER 54 -5.600 -10.052 -4.709 253 HG SER 54 HG SER 54 -4.585 -7.844 -3.503 254 H ALA 55 HN ALA 55 -3.607 -11.283 -5.122 255 HA ALA 55 HA ALA 55 -1.901 -11.106 -2.870 256 HB1 ALA 55 HB1 ALA 55 -1.596 -13.533 -3.164 257 HB2 ALA 55 HB2 ALA 55 -2.326 -13.434 -4.768 258 HB3 ALA 55 HB3 ALA 55 -3.293 -13.076 -3.338 259 H VAL 56 HN VAL 56 -1.246 -11.637 -6.309 260 HA VAL 56 HA VAL 56 1.565 -11.943 -6.161 261 HB VAL 56 HB VAL 56 -0.280 -11.159 -8.457 262 HG11 VAL 56 HG11 VAL 56 2.701 -11.710 -8.663 263 HG12 VAL 56 HG12 VAL 56 1.920 -10.153 -8.935 264 HG13 VAL 56 HG13 VAL 56 1.595 -11.502 -10.023 265 HG21 VAL 56 HG21 VAL 56 -0.492 -13.481 -7.674 266 HG22 VAL 56 HG22 VAL 56 1.244 -13.727 -7.869 267 HG23 VAL 56 HG23 VAL 56 0.230 -13.443 -9.286 268 H SER 57 HN SER 57 -0.483 -9.051 -6.567 269 HA SER 57 HA SER 57 1.546 -7.187 -7.244 270 HB2 SER 57 HB2 SER 57 -0.854 -6.703 -7.609 271 HB3 SER 57 HB1 SER 57 -1.129 -6.676 -5.869 272 HG SER 57 HG SER 57 0.258 -4.838 -7.492 273 H ARG 58 HN ARG 58 0.065 -8.100 -4.160 274 HA ARG 58 HA ARG 58 1.573 -6.421 -2.470 275 HB2 ARG 58 HB2 ARG 58 -0.478 -7.477 -1.647 276 HB3 ARG 58 HB1 ARG 58 0.211 -9.085 -1.870 277 HG2 ARG 58 HG2 ARG 58 1.964 -8.507 -0.165 278 HG3 ARG 58 HG1 ARG 58 1.145 -6.968 0.105 279 HD2 ARG 58 HD2 ARG 58 -0.853 -8.170 0.886 280 HD3 ARG 58 HD1 ARG 58 -0.047 -9.716 0.588 281 HE ARG 58 HE ARG 58 1.714 -8.746 2.217 282 HH11 ARG 58 HH11 ARG 58 -1.741 -8.295 2.567 283 HH12 ARG 58 HH12 ARG 58 -1.659 -8.111 4.289 284 HH21 ARG 58 HH21 ARG 58 1.814 -8.506 4.447 285 HH22 ARG 58 HH22 ARG 58 0.359 -8.225 5.348 286 H ARG 59 HN ARG 59 1.973 -9.844 -3.427 287 HA ARG 59 HA ARG 59 4.081 -10.421 -1.664 288 HB2 ARG 59 HB2 ARG 59 2.584 -12.160 -2.686 289 HB3 ARG 59 HB1 ARG 59 3.411 -11.935 -4.219 290 HG2 ARG 59 HG2 ARG 59 4.251 -13.934 -3.044 291 HG3 ARG 59 HG1 ARG 59 5.528 -12.725 -3.215 292 HD2 ARG 59 HD2 ARG 59 5.001 -11.954 -0.860 293 HD3 ARG 59 HD1 ARG 59 3.907 -13.335 -0.721 294 HE ARG 59 HE ARG 59 6.370 -14.336 -1.506 295 HH11 ARG 59 HH11 ARG 59 5.050 -12.678 1.282 296 HH12 ARG 59 HH12 ARG 59 6.221 -13.336 2.377 297 HH21 ARG 59 HH21 ARG 59 7.895 -15.173 -0.085 298 HH22 ARG 59 HH22 ARG 59 7.845 -14.752 1.595 299 H ALA 60 HN ALA 60 4.061 -9.416 -5.026 300 HA ALA 60 HA ALA 60 6.793 -9.581 -5.645 301 HB1 ALA 60 HB1 ALA 60 5.051 -9.230 -7.342 302 HB2 ALA 60 HB2 ALA 60 6.285 -7.974 -7.442 303 HB3 ALA 60 HB3 ALA 60 4.725 -7.621 -6.694 304 H ASP 61 HN ASP 61 4.847 -6.941 -4.292 305 HA ASP 61 HA ASP 61 6.906 -5.016 -3.981 306 HB2 ASP 61 HB2 ASP 61 4.470 -4.481 -3.991 307 HB3 ASP 61 HB1 ASP 61 4.284 -5.319 -2.456 308 H GLU 62 HN GLU 62 5.806 -7.703 -1.933 309 HA GLU 62 HA GLU 62 7.221 -7.028 0.448 310 HB2 GLU 62 HB2 GLU 62 6.449 -9.826 -0.477 311 HB3 GLU 62 HB1 GLU 62 6.845 -9.342 1.166 312 HG2 GLU 62 HG2 GLU 62 4.427 -8.346 -0.368 313 HG3 GLU 62 HG1 GLU 62 4.399 -9.734 0.702 314 H GLU 63 HN GLU 63 8.097 -8.742 -2.503 315 HA GLU 63 HA GLU 63 10.710 -9.592 -1.584 316 HB2 GLU 63 HB2 GLU 63 9.708 -9.476 -4.459 317 HB3 GLU 63 HB1 GLU 63 11.068 -10.416 -3.848 318 HG2 GLU 63 HG2 GLU 63 8.124 -10.878 -3.312 319 HG3 GLU 63 HG1 GLU 63 9.193 -11.871 -4.289 320 H GLY 64 HN GLY 64 9.413 -6.649 -2.722 321 HA2 GLY 64 HA2 GLY 64 10.546 -4.593 -2.729 322 HA3 GLY 64 HA1 GLY 64 12.084 -5.430 -2.884 323 H ALA 65 HN ALA 65 9.361 -6.181 -4.923 324 HA ALA 65 HA ALA 65 10.777 -5.345 -7.333 325 HB1 ALA 65 HB1 ALA 65 8.114 -6.792 -7.039 326 HB2 ALA 65 HB2 ALA 65 9.682 -7.559 -7.298 327 HB3 ALA 65 HB3 ALA 65 8.993 -6.525 -8.549 328 H ALA 66 HN ALA 66 10.137 -3.756 -8.680 329 HA ALA 66 HA ALA 66 8.247 -1.724 -7.830 330 HB1 ALA 66 HB1 ALA 66 10.370 -1.086 -8.881 331 HB2 ALA 66 HB2 ALA 66 9.011 -0.534 -9.860 332 HB3 ALA 66 HB3 ALA 66 9.932 -1.965 -10.349 333 H SER 67 HN SER 67 8.342 -4.456 -9.987 334 HA SER 67 HA SER 67 5.582 -4.023 -10.880 335 HB2 SER 67 HB2 SER 67 7.919 -4.489 -12.798 336 HB3 SER 67 HB1 SER 67 6.214 -4.472 -13.253 337 HG SER 67 HG SER 67 6.617 -2.226 -11.962 338 H PHE 68 HN PHE 68 4.731 -5.958 -12.031 339 HA PHE 68 HA PHE 68 6.068 -8.530 -11.557 340 HB2 PHE 68 HB2 PHE 68 4.147 -9.529 -10.417 341 HB3 PHE 68 HB1 PHE 68 4.637 -8.105 -9.516 342 HD1 PHE 68 HD1 PHE 68 1.980 -9.562 -11.663 343 HD2 PHE 68 HD2 PHE 68 3.139 -6.154 -9.350 344 HE1 PHE 68 HE1 PHE 68 -0.329 -8.728 -11.728 345 HE2 PHE 68 HE2 PHE 68 0.820 -5.341 -9.424 346 HZ PHE 68 HZ PHE 68 -0.909 -6.620 -10.607 347 H TYR 69 HN TYR 69 5.058 -10.271 -12.805 348 HA TYR 69 HA TYR 69 2.757 -9.687 -14.454 349 HB2 TYR 69 HB2 TYR 69 4.437 -8.872 -15.988 350 HB3 TYR 69 HB1 TYR 69 5.471 -10.273 -15.721 351 HD1 TYR 69 HD1 TYR 69 1.941 -9.538 -16.871 352 HD2 TYR 69 HD2 TYR 69 5.451 -11.912 -17.426 353 HE1 TYR 69 HE1 TYR 69 0.877 -10.681 -18.770 354 HE2 TYR 69 HE2 TYR 69 4.389 -13.043 -19.321 355 HH TYR 69 HH TYR 69 2.222 -13.517 -20.193 356 H VAL 70 HN VAL 70 1.502 -11.416 -14.394 357 HA VAL 70 HA VAL 70 2.414 -13.997 -13.470 358 HB VAL 70 HB VAL 70 -0.330 -13.185 -14.547 359 HG11 VAL 70 HG11 VAL 70 -1.161 -15.208 -13.370 360 HG12 VAL 70 HG12 VAL 70 0.494 -15.636 -12.932 361 HG13 VAL 70 HG13 VAL 70 0.004 -15.624 -14.628 362 HG21 VAL 70 HG21 VAL 70 -1.023 -12.976 -12.177 363 HG22 VAL 70 HG22 VAL 70 0.267 -11.837 -12.562 364 HG23 VAL 70 HG23 VAL 70 0.632 -13.305 -11.653 365 H VAL 71 HN VAL 71 3.447 -15.331 -14.812 366 HA VAL 71 HA VAL 71 3.160 -15.153 -17.725 367 HB VAL 71 HB VAL 71 5.094 -16.732 -15.963 368 HG11 VAL 71 HG11 VAL 71 5.123 -16.443 -18.998 369 HG12 VAL 71 HG12 VAL 71 4.812 -17.926 -18.092 370 HG13 VAL 71 HG13 VAL 71 6.406 -17.174 -18.030 371 HG21 VAL 71 HG21 VAL 71 5.437 -14.291 -15.843 372 HG22 VAL 71 HG22 VAL 71 5.552 -14.203 -17.603 373 HG23 VAL 71 HG23 VAL 71 6.779 -15.072 -16.680 374 H ASP 72 HN ASP 72 2.614 -17.434 -15.055 375 HA ASP 72 HA ASP 72 1.219 -19.276 -16.905 376 HB2 ASP 72 HB2 ASP 72 3.520 -20.137 -16.478 377 HB3 ASP 72 HB1 ASP 72 3.225 -20.078 -14.745 378 H THR 73 HN THR 73 -0.613 -20.129 -16.143 379 HA THR 73 HA THR 73 -1.257 -20.128 -13.263 380 HB THR 73 HB THR 73 -3.682 -19.635 -13.891 381 HG1 THR 73 HG1 THR 73 -3.575 -20.023 -16.134 382 HG21 THR 73 HG21 THR 73 -2.267 -17.868 -12.899 383 HG22 THR 73 HG22 THR 73 -3.412 -17.194 -14.063 384 HG23 THR 73 HG23 THR 73 -1.719 -17.407 -14.513 385 H SER 74 HN SER 74 -1.220 -22.266 -12.834 386 HA SER 74 HA SER 74 -2.402 -24.174 -14.783 387 HB2 SER 74 HB2 SER 74 0.109 -24.296 -14.700 388 HB3 SER 74 HB1 SER 74 0.008 -24.683 -12.986 389 HG SER 74 HG SER 74 -0.370 -26.267 -15.164 390 H GLU 75 HN GLU 75 -4.278 -24.868 -13.921 391 HA GLU 75 HA GLU 75 -4.855 -24.918 -11.115 392 HB2 GLU 75 HB2 GLU 75 -6.986 -25.975 -11.794 393 HB3 GLU 75 HB1 GLU 75 -6.621 -24.541 -12.745 394 HG2 GLU 75 HG2 GLU 75 -5.714 -26.121 -14.552 395 HG3 GLU 75 HG1 GLU 75 -6.429 -27.442 -13.623 396 H PHE 76 HN PHE 76 -5.423 -26.781 -9.833 397 HA PHE 76 HA PHE 76 -3.542 -28.863 -9.799 398 HB2 PHE 76 HB2 PHE 76 -4.839 -28.154 -7.814 399 HB3 PHE 76 HB1 PHE 76 -6.319 -28.770 -8.537 400 HD1 PHE 76 HD2 PHE 76 -3.016 -29.779 -7.118 401 HD2 PHE 76 HD1 PHE 76 -6.891 -31.122 -8.358 402 HE1 PHE 76 HE2 PHE 76 -2.597 -31.978 -6.089 403 HE2 PHE 76 HE1 PHE 76 -6.452 -33.317 -7.330 404 HZ PHE 76 HZ PHE 76 -4.308 -33.744 -6.198 405 H GLY 77 HN GLY 77 -6.835 -28.755 -11.095 406 HA2 GLY 77 HA2 GLY 77 -6.718 -30.107 -13.356 407 HA3 GLY 77 HA1 GLY 77 -6.643 -31.457 -12.230 408 H ASN 78 HN ASN 78 -8.612 -28.908 -13.529 409 HA ASN 78 HA ASN 78 -10.824 -28.610 -13.806 410 HB2 ASN 78 HB2 ASN 78 -11.216 -31.323 -12.491 411 HB3 ASN 78 HB1 ASN 78 -12.499 -30.389 -13.256 412 HD21 ASN 78 HD21 ASN 78 -9.704 -32.394 -13.782 413 HD22 ASN 78 HD22 ASN 78 -9.900 -32.571 -15.489 414 H SER 79 HN SER 79 -9.544 -29.081 -10.655 415 HA SER 79 HA SER 79 -11.807 -28.161 -9.152 416 HB2 SER 79 HB2 SER 79 -10.102 -28.120 -7.268 417 HB3 SER 79 HB1 SER 79 -10.246 -29.675 -8.084 418 HG SER 79 HG SER 79 -8.083 -28.126 -7.784 419 H GLY 80 HN GLY 80 -11.798 -26.200 -7.869 420 HA2 GLY 80 HA2 GLY 80 -11.310 -23.893 -9.492 421 HA3 GLY 80 HA1 GLY 80 -12.056 -23.926 -7.906 422 H ASN 81 HN ASN 81 -9.308 -25.423 -7.180 423 HA ASN 81 HA ASN 81 -7.809 -23.000 -6.510 424 HB2 ASN 81 HB2 ASN 81 -6.369 -24.545 -5.170 425 HB3 ASN 81 HB1 ASN 81 -8.066 -24.642 -4.736 426 HD21 ASN 81 HD21 ASN 81 -5.351 -26.358 -6.003 427 HD22 ASN 81 HD22 ASN 81 -6.098 -27.917 -6.055 428 H TRP 82 HN TRP 82 -6.203 -22.259 -7.713 429 HA TRP 82 HA TRP 82 -4.773 -23.980 -9.612 430 HB2 TRP 82 HB2 TRP 82 -4.937 -22.018 -11.315 431 HB3 TRP 82 HB1 TRP 82 -6.346 -23.034 -11.101 432 HD1 TRP 82 HD1 TRP 82 -8.298 -21.921 -9.387 433 HE1 TRP 82 HE1 TRP 82 -9.136 -19.504 -9.319 434 HE3 TRP 82 HE3 TRP 82 -4.380 -19.624 -11.765 435 HZ2 TRP 82 HZ2 TRP 82 -8.300 -16.966 -10.173 436 HZ3 TRP 82 HZ3 TRP 82 -4.502 -17.186 -12.118 437 HH2 TRP 82 HH2 TRP 82 -6.421 -15.891 -11.339 438 H ARG 83 HN ARG 83 -2.695 -23.656 -9.786 439 HA ARG 83 HA ARG 83 -1.142 -21.957 -8.142 440 HB2 ARG 83 HB2 ARG 83 -0.189 -24.027 -8.974 441 HB3 ARG 83 HB1 ARG 83 -0.518 -23.588 -10.643 442 HG2 ARG 83 HG2 ARG 83 1.851 -23.388 -10.249 443 HG3 ARG 83 HG1 ARG 83 1.187 -21.770 -10.477 444 HD2 ARG 83 HD2 ARG 83 2.778 -21.716 -8.653 445 HD3 ARG 83 HD1 ARG 83 1.157 -21.481 -7.994 446 HE ARG 83 HE ARG 83 1.201 -23.644 -7.088 447 HH11 ARG 83 HH11 ARG 83 4.269 -22.852 -8.589 448 HH12 ARG 83 HH12 ARG 83 5.093 -24.199 -7.880 449 HH21 ARG 83 HH21 ARG 83 2.293 -25.395 -6.179 450 HH22 ARG 83 HH22 ARG 83 3.973 -25.647 -6.528 451 H VAL 84 HN VAL 84 -0.375 -19.943 -8.476 452 HA VAL 84 HA VAL 84 -0.609 -18.658 -11.138 453 HB VAL 84 HB VAL 84 -0.694 -17.227 -8.440 454 HG11 VAL 84 HG11 VAL 84 0.090 -15.820 -10.293 455 HG12 VAL 84 HG12 VAL 84 -1.491 -15.278 -9.728 456 HG13 VAL 84 HG13 VAL 84 -1.360 -16.206 -11.224 457 HG21 VAL 84 HG21 VAL 84 -3.078 -17.950 -10.186 458 HG22 VAL 84 HG22 VAL 84 -3.131 -16.932 -8.746 459 HG23 VAL 84 HG23 VAL 84 -2.700 -18.637 -8.604 460 H VAL 85 HN VAL 85 1.414 -18.840 -11.895 461 HA VAL 85 HA VAL 85 3.776 -18.238 -10.248 462 HB VAL 85 HB VAL 85 3.637 -19.173 -13.160 463 HG11 VAL 85 HG11 VAL 85 6.062 -19.682 -12.903 464 HG12 VAL 85 HG12 VAL 85 6.035 -18.974 -11.287 465 HG13 VAL 85 HG13 VAL 85 5.729 -17.960 -12.699 466 HG21 VAL 85 HG21 VAL 85 4.329 -21.399 -12.300 467 HG22 VAL 85 HG22 VAL 85 2.751 -20.915 -11.683 468 HG23 VAL 85 HG23 VAL 85 4.174 -20.800 -10.645 469 H ALA 86 HN ALA 86 4.655 -16.247 -10.313 470 HA ALA 86 HA ALA 86 4.193 -14.463 -12.617 471 HB1 ALA 86 HB1 ALA 86 3.628 -12.611 -11.105 472 HB2 ALA 86 HB2 ALA 86 3.724 -13.696 -9.715 473 HB3 ALA 86 HB3 ALA 86 2.477 -13.939 -10.938 474 H ASP 87 HN ASP 87 6.065 -13.676 -13.281 475 HA ASP 87 HA ASP 87 8.493 -13.709 -11.745 476 HB2 ASP 87 HB2 ASP 87 7.757 -12.571 -14.476 477 HB3 ASP 87 HB1 ASP 87 9.387 -12.484 -13.810 478 H VAL 88 HN VAL 88 9.599 -11.915 -10.914 479 HA VAL 88 HA VAL 88 7.992 -9.455 -10.500 480 HB VAL 88 HB VAL 88 9.148 -9.248 -8.283 481 HG11 VAL 88 HG11 VAL 88 7.816 -10.963 -7.108 482 HG12 VAL 88 HG12 VAL 88 7.568 -11.831 -8.625 483 HG13 VAL 88 HG13 VAL 88 6.884 -10.219 -8.411 484 HG21 VAL 88 HG21 VAL 88 10.153 -12.080 -8.794 485 HG22 VAL 88 HG22 VAL 88 10.329 -11.169 -7.289 486 HG23 VAL 88 HG23 VAL 88 11.157 -10.631 -8.749 487 H TYR 89 HN TYR 89 8.995 -7.482 -10.746 488 HA TYR 89 HA TYR 89 11.614 -7.529 -12.138 489 HB2 TYR 89 HB2 TYR 89 9.122 -5.955 -12.959 490 HB3 TYR 89 HB1 TYR 89 10.679 -5.931 -13.781 491 HD1 TYR 89 HD1 TYR 89 7.693 -8.021 -13.059 492 HD2 TYR 89 HD2 TYR 89 11.272 -7.682 -15.377 493 HE1 TYR 89 HE1 TYR 89 6.941 -9.867 -14.494 494 HE2 TYR 89 HE2 TYR 89 10.509 -9.525 -16.809 495 HH TYR 89 HH TYR 89 9.010 -11.429 -16.713 496 H LYS 90 HN LYS 90 12.817 -5.597 -12.041 497 HA LYS 90 HA LYS 90 12.307 -3.891 -9.705 498 HB2 LYS 90 HB2 LYS 90 14.754 -4.152 -11.506 499 HB3 LYS 90 HB1 LYS 90 14.672 -3.163 -10.051 500 HG2 LYS 90 HG2 LYS 90 14.384 -6.187 -10.133 501 HG3 LYS 90 HG1 LYS 90 15.857 -5.318 -9.688 502 HD2 LYS 90 HD2 LYS 90 13.206 -5.080 -8.189 503 HD3 LYS 90 HD1 LYS 90 14.511 -6.175 -7.727 504 HE2 LYS 90 HE2 LYS 90 14.731 -3.144 -7.850 505 HE3 LYS 90 HE1 LYS 90 14.524 -4.098 -6.384 506 HZ1 LYS 90 HZ1 LYS 90 16.821 -3.504 -6.696 507 HZ2 LYS 90 HZ2 LYS 90 16.849 -4.216 -8.226 508 HZ3 LYS 90 HZ3 LYS 90 16.647 -5.180 -6.849 509 H ALA 91 HN ALA 91 13.285 -1.523 -10.149 510 HA ALA 91 HA ALA 91 11.777 -0.317 -12.376 511 HB1 ALA 91 HB1 ALA 91 12.109 1.808 -11.155 512 HB2 ALA 91 HB2 ALA 91 13.095 0.972 -9.949 513 HB3 ALA 91 HB3 ALA 91 11.382 0.585 -10.118
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