NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10162 | 1pba | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 824 H/Q atoms Start of MODEL 1 1 1H HIS 1 HN2 HIS 1 17.384 2.147 -14.124 2 2H HIS 1 HN3 HIS 1 16.900 0.795 -14.948 3 3H HIS 1 HN1 HIS 1 18.264 1.607 -15.419 4 HA HIS 1 HA HIS 1 17.116 2.905 -16.774 5 1HB HIS 1 2HB HIS 1 14.486 1.885 -15.749 6 2HB HIS 1 3HB HIS 1 14.954 2.261 -17.386 7 HD1 HIS 1 HD1 HIS 1 16.744 0.498 -18.394 8 HD2 HIS 1 HD2 HIS 1 14.516 -0.864 -15.211 9 HE1 HIS 1 HE1 HIS 1 17.005 -2.001 -18.356 10 QB HIS 1 QB HIS 1 14.720 2.073 -16.567 11 H HIS 2 HN HIS 2 14.781 4.322 -16.580 12 HA HIS 2 HA HIS 2 15.177 5.833 -14.028 13 1HB HIS 2 2HB HIS 2 15.772 7.049 -16.122 14 2HB HIS 2 3HB HIS 2 14.154 6.793 -16.718 15 HD1 HIS 2 HD1 HIS 2 12.316 8.156 -15.675 16 HD2 HIS 2 HD2 HIS 2 16.001 9.162 -14.136 17 HE1 HIS 2 HE1 HIS 2 11.984 10.261 -14.322 18 QB HIS 2 QB HIS 2 14.963 6.921 -16.420 19 H SER 3 HN SER 3 12.994 7.180 -13.690 20 HA SER 3 HA SER 3 10.611 5.497 -14.256 21 1HB SER 3 2HB SER 3 11.511 6.262 -11.445 22 2HB SER 3 3HB SER 3 9.961 5.503 -11.845 23 HG SER 3 HG SER 3 11.949 4.216 -13.128 24 QB SER 3 QB SER 3 10.736 5.882 -11.645 25 H GLY 4 HN GLY 4 9.937 7.219 -15.551 26 1HA GLY 4 1HA GLY 4 8.126 8.965 -15.327 27 2HA GLY 4 2HA GLY 4 9.087 9.672 -14.021 28 QA GLY 4 QA GLY 4 8.606 9.319 -14.674 29 H GLU 5 HN GLU 5 9.879 8.383 -17.173 30 HA GLU 5 HA GLU 5 11.278 10.927 -17.868 31 1HB GLU 5 2HB GLU 5 12.876 9.539 -19.155 32 2HB GLU 5 3HB GLU 5 12.881 9.097 -17.463 33 1HG GLU 5 2HG GLU 5 11.490 7.586 -19.713 34 2HG GLU 5 3HG GLU 5 12.925 7.071 -18.845 35 QB GLU 5 QB GLU 5 12.878 9.318 -18.309 36 QG GLU 5 QG GLU 5 12.207 7.328 -19.279 37 H HIS 6 HN HIS 6 8.733 10.857 -18.392 38 HA HIS 6 HA HIS 6 7.501 11.651 -20.304 39 1HB HIS 6 2HB HIS 6 9.605 11.179 -21.739 40 2HB HIS 6 3HB HIS 6 8.915 9.601 -22.009 41 HD1 HIS 6 HD1 HIS 6 6.358 9.796 -22.910 42 HD2 HIS 6 HD2 HIS 6 8.788 13.017 -23.699 43 HE1 HIS 6 HE1 HIS 6 5.295 11.044 -24.833 44 QB HIS 6 QB HIS 6 9.260 10.390 -21.874 45 H PHE 7 HN PHE 7 7.262 9.514 -18.338 46 HA PHE 7 HA PHE 7 5.194 7.838 -19.699 47 1HB PHE 7 2HB PHE 7 7.449 7.088 -17.970 48 2HB PHE 7 3HB PHE 7 5.917 6.518 -17.324 49 HD1 PHE 7 HD1 PHE 7 4.441 5.060 -18.769 50 HD2 PHE 7 HD2 PHE 7 8.407 6.093 -19.929 51 HE1 PHE 7 HE1 PHE 7 4.430 3.232 -20.392 52 HE2 PHE 7 HE2 PHE 7 8.396 4.257 -21.564 53 HZ PHE 7 HZ PHE 7 6.415 2.807 -21.784 54 QB PHE 7 QB PHE 7 6.683 6.803 -17.647 55 QR PHE 7 QR PHE 7 6.419 4.660 -20.163 56 H GLU 8 HN GLU 8 3.423 7.218 -18.179 57 HA GLU 8 HA GLU 8 2.850 9.491 -16.315 58 1HB GLU 8 2HB GLU 8 1.266 8.731 -18.294 59 2HB GLU 8 3HB GLU 8 0.848 7.398 -17.233 60 1HG GLU 8 2HG GLU 8 0.632 9.605 -15.539 61 2HG GLU 8 3HG GLU 8 0.074 10.242 -17.074 62 QB GLU 8 QB GLU 8 1.057 8.064 -17.763 63 QG GLU 8 QG GLU 8 0.353 9.923 -16.306 64 H GLY 9 HN GLY 9 0.776 7.744 -15.086 65 1HA GLY 9 1HA GLY 9 2.595 6.195 -13.273 66 2HA GLY 9 2HA GLY 9 0.988 6.785 -12.832 67 QA GLY 9 QA GLY 9 1.792 6.490 -13.053 68 H GLU 10 HN GLU 10 -0.206 6.179 -15.219 69 HA GLU 10 HA GLU 10 -1.790 4.494 -15.727 70 1HB GLU 10 2HB GLU 10 -0.723 3.258 -17.619 71 2HB GLU 10 3HB GLU 10 -0.428 4.990 -17.632 72 1HG GLU 10 2HG GLU 10 1.774 4.358 -16.318 73 2HG GLU 10 3HG GLU 10 1.488 2.756 -16.977 74 QB GLU 10 QB GLU 10 -0.576 4.124 -17.626 75 QG GLU 10 QG GLU 10 1.631 3.557 -16.647 76 H LYS 11 HN LYS 11 -1.508 3.568 -13.237 77 HA LYS 11 HA LYS 11 -1.375 0.660 -13.645 78 1HB LYS 11 2HB LYS 11 0.707 2.113 -12.070 79 2HB LYS 11 3HB LYS 11 0.167 0.554 -11.480 80 1HG LYS 11 2HG LYS 11 0.771 -0.522 -13.583 81 2HG LYS 11 3HG LYS 11 1.104 1.025 -14.333 82 1HD LYS 11 2HD LYS 11 2.613 0.190 -11.864 83 2HD LYS 11 3HD LYS 11 3.121 -0.355 -13.462 84 1HE LYS 11 2HE LYS 11 3.098 2.075 -14.206 85 2HE LYS 11 3HE LYS 11 2.811 2.523 -12.533 86 1HZ LYS 11 1HZ LYS 11 4.975 0.779 -12.529 87 2HZ LYS 11 2HZ LYS 11 5.249 1.887 -13.778 88 3HZ LYS 11 3HZ LYS 11 4.988 2.431 -12.190 89 QB LYS 11 QB LYS 11 0.437 1.333 -11.775 90 QG LYS 11 QG LYS 11 0.938 0.251 -13.958 91 QD LYS 11 QD LYS 11 2.867 -0.083 -12.663 92 QE LYS 11 QE LYS 11 2.955 2.299 -13.369 93 QZ LYS 11 QZ LYS 11 5.071 1.699 -12.832 94 H VAL 12 HN VAL 12 -2.153 -0.501 -11.777 95 HA VAL 12 HA VAL 12 -3.843 1.130 -10.023 96 HB VAL 12 HB VAL 12 -5.162 -1.097 -10.181 97 1HG1 VAL 12 2HG VAL 12 -5.911 1.038 -11.212 98 2HG1 VAL 12 3HG VAL 12 -4.905 0.697 -12.618 99 3HG1 VAL 12 1HG VAL 12 -6.295 -0.323 -12.258 100 1HG2 VAL 12 3HG VAL 12 -3.391 -2.421 -11.271 101 2HG2 VAL 12 1HG VAL 12 -4.873 -2.395 -12.218 102 3HG2 VAL 12 2HG VAL 12 -3.516 -1.379 -12.691 103 QG1 VAL 12 QG1 VAL 12 -5.704 0.471 -12.029 104 QG2 VAL 12 QG2 VAL 12 -3.927 -2.065 -12.060 105 QQG VAL 12 QQG VAL 12 -4.815 -0.797 -12.045 106 H PHE 13 HN PHE 13 -1.619 0.978 -8.840 107 HA PHE 13 HA PHE 13 -0.573 -1.333 -7.668 108 1HB PHE 13 2HB PHE 13 -0.881 1.246 -6.105 109 2HB PHE 13 3HB PHE 13 0.404 0.050 -5.979 110 HD1 PHE 13 HD1 PHE 13 -0.967 2.800 -8.002 111 HD2 PHE 13 HD2 PHE 13 2.182 -0.051 -7.658 112 HE1 PHE 13 HE1 PHE 13 0.258 3.921 -9.805 113 HE2 PHE 13 HE2 PHE 13 3.411 1.091 -9.446 114 HZ PHE 13 HZ PHE 13 2.447 3.081 -10.511 115 QB PHE 13 QB PHE 13 -0.238 0.648 -6.042 116 QR PHE 13 QR PHE 13 1.221 1.940 -8.728 117 NH1 ARG 14 NH1 ARG 14 -4.980 -6.372 -8.930 118 NH2 ARG 14 NH2 ARG 14 -6.463 -7.847 -8.021 119 H ARG 14 HN ARG 14 -2.314 -2.759 -7.245 120 HA ARG 14 HA ARG 14 -4.173 -2.144 -5.053 121 1HB ARG 14 2HB ARG 14 -4.715 -3.614 -7.072 122 2HB ARG 14 3HB ARG 14 -3.611 -4.811 -6.418 123 1HG ARG 14 2HG ARG 14 -5.032 -4.702 -4.261 124 2HG ARG 14 3HG ARG 14 -6.216 -3.830 -5.219 125 1HD ARG 14 2HD ARG 14 -5.176 -6.649 -5.697 126 2HD ARG 14 3HD ARG 14 -6.811 -6.187 -5.233 127 HE ARG 14 HE ARG 14 -6.832 -4.968 -7.554 128 1HH1 ARG 14 2HH ARG 14 -4.567 -5.462 -8.923 129 2HH1 ARG 14 1HH ARG 14 -4.636 -7.077 -9.564 130 1HH2 ARG 14 2HH ARG 14 -7.178 -8.036 -7.351 131 2HH2 ARG 14 1HH ARG 14 -6.115 -8.591 -8.611 132 QB ARG 14 QB ARG 14 -4.163 -4.212 -6.745 133 QG ARG 14 QG ARG 14 -5.624 -4.266 -4.740 134 QD ARG 14 QD ARG 14 -5.994 -6.418 -5.465 135 QH1 ARG 14 QH1 ARG 14 -4.602 -6.270 -9.243 136 QH2 ARG 14 QH2 ARG 14 -6.647 -8.313 -7.981 137 H VAL 15 HN VAL 15 -4.150 -3.541 -3.046 138 HA VAL 15 HA VAL 15 -1.385 -4.514 -2.415 139 HB VAL 15 HB VAL 15 -3.246 -3.047 -0.503 140 1HG1 VAL 15 2HG VAL 15 -0.368 -4.001 -0.207 141 2HG1 VAL 15 3HG VAL 15 -1.230 -3.015 0.970 142 3HG1 VAL 15 1HG VAL 15 -1.763 -4.658 0.644 143 1HG2 VAL 15 2HG VAL 15 -0.716 -2.134 -1.916 144 2HG2 VAL 15 3HG VAL 15 -2.340 -1.518 -2.203 145 3HG2 VAL 15 1HG VAL 15 -1.549 -1.229 -0.657 146 QG1 VAL 15 QG1 VAL 15 -1.120 -3.891 0.469 147 QG2 VAL 15 QG2 VAL 15 -1.535 -1.627 -1.592 148 QQG VAL 15 QQG VAL 15 -1.328 -2.759 -0.562 149 H ASN 16 HN ASN 16 -1.199 -6.282 -1.123 150 HA ASN 16 HA ASN 16 -3.711 -7.711 -0.337 151 1HB ASN 16 2HB ASN 16 -2.763 -8.561 -2.516 152 2HB ASN 16 3HB ASN 16 -1.270 -8.947 -1.676 153 1HD2 ASN 16 2HD ASN 16 -2.732 -11.682 0.132 154 2HD2 ASN 16 1HD ASN 16 -1.578 -10.445 0.294 155 QB ASN 16 QB ASN 16 -2.017 -8.754 -2.096 156 QD2 ASN 16 QD2 ASN 16 -2.155 -11.063 0.213 157 H VAL 17 HN VAL 17 -3.253 -7.133 1.883 158 HA VAL 17 HA VAL 17 -0.600 -7.618 3.019 159 HB VAL 17 HB VAL 17 -2.172 -5.838 3.798 160 1HG1 VAL 17 3HG VAL 17 -4.264 -7.090 3.560 161 2HG1 VAL 17 1HG VAL 17 -3.795 -8.136 4.900 162 3HG1 VAL 17 2HG VAL 17 -4.087 -6.425 5.180 163 1HG2 VAL 17 1HG VAL 17 -1.368 -7.919 5.843 164 2HG2 VAL 17 2HG VAL 17 -0.466 -6.486 5.346 165 3HG2 VAL 17 3HG VAL 17 -1.966 -6.319 6.236 166 QG1 VAL 17 QG1 VAL 17 -4.049 -7.217 4.547 167 QG2 VAL 17 QG2 VAL 17 -1.267 -6.908 5.808 168 QQG VAL 17 QQG VAL 17 -2.658 -7.063 5.178 169 H GLU 18 HN GLU 18 0.068 -9.350 4.179 170 HA GLU 18 HA GLU 18 -1.699 -11.747 4.066 171 1HB GLU 18 2HB GLU 18 1.193 -11.321 3.943 172 2HB GLU 18 3HB GLU 18 0.781 -12.508 5.176 173 1HG GLU 18 2HG GLU 18 -0.546 -13.779 3.539 174 2HG GLU 18 3HG GLU 18 -0.198 -12.575 2.304 175 QB GLU 18 QB GLU 18 0.987 -11.915 4.560 176 QG GLU 18 QG GLU 18 -0.372 -13.177 2.921 177 H ASP 19 HN ASP 19 0.418 -10.080 6.369 178 HA ASP 19 HA ASP 19 -1.583 -10.601 8.454 179 1HB ASP 19 2HB ASP 19 -0.393 -12.021 9.802 180 2HB ASP 19 3HB ASP 19 0.283 -12.510 8.276 181 QB ASP 19 QB ASP 19 -0.055 -12.265 9.039 182 H GLU 20 HN GLU 20 0.286 -9.963 10.553 183 HA GLU 20 HA GLU 20 -0.045 -7.119 10.457 184 1HB GLU 20 2HB GLU 20 1.515 -8.935 12.318 185 2HB GLU 20 3HB GLU 20 1.165 -7.251 12.619 186 1HG GLU 20 2HG GLU 20 -0.950 -9.391 12.212 187 2HG GLU 20 3HG GLU 20 -0.465 -8.754 13.772 188 QB GLU 20 QB GLU 20 1.340 -8.093 12.469 189 QG GLU 20 QG GLU 20 -0.708 -9.073 12.992 190 H ASN 21 HN ASN 21 2.695 -9.270 9.798 191 HA ASN 21 HA ASN 21 4.823 -7.413 9.819 192 1HB ASN 21 2HB ASN 21 5.272 -9.746 9.281 193 2HB ASN 21 3HB ASN 21 4.249 -9.675 7.858 194 1HD2 ASN 21 2HD ASN 21 6.818 -7.710 6.030 195 2HD2 ASN 21 1HD ASN 21 5.142 -7.623 6.287 196 QB ASN 21 QB ASN 21 4.761 -9.711 8.569 197 QD2 ASN 21 QD2 ASN 21 5.980 -7.667 6.158 198 H ASP 22 HN ASP 22 2.992 -8.273 6.927 199 HA ASP 22 HA ASP 22 3.900 -6.280 5.155 200 1HB ASP 22 2HB ASP 22 2.475 -8.265 4.646 201 2HB ASP 22 3HB ASP 22 1.127 -7.512 5.464 202 QB ASP 22 QB ASP 22 1.801 -7.889 5.055 203 H ILE 23 HN ILE 23 1.112 -6.080 7.364 204 HA ILE 23 HA ILE 23 0.247 -3.464 6.746 205 HB ILE 23 HB ILE 23 0.401 -4.777 9.497 206 1HG1 ILE 23 2HG ILE 23 -1.779 -4.737 7.398 207 2HG1 ILE 23 3HG ILE 23 -0.761 -6.110 7.796 208 1HG2 ILE 23 1HG ILE 23 0.001 -2.313 9.586 209 2HG2 ILE 23 2HG ILE 23 -1.365 -2.510 8.493 210 3HG2 ILE 23 3HG ILE 23 -1.414 -3.216 10.102 211 1HD1 ILE 23 2HD ILE 23 -1.639 -6.059 10.122 212 2HD1 ILE 23 3HD ILE 23 -2.715 -4.758 9.650 213 3HD1 ILE 23 1HD ILE 23 -2.883 -6.347 8.921 214 QG1 ILE 23 QG1 ILE 23 -1.270 -5.424 7.597 215 QG2 ILE 23 QG2 ILE 23 -0.926 -2.680 9.394 216 QD1 ILE 23 QD1 ILE 23 -2.412 -5.721 9.564 217 H SER 24 HN SER 24 2.382 -4.443 9.339 218 HA SER 24 HA SER 24 3.144 -2.045 10.426 219 1HB SER 24 2HB SER 24 4.867 -4.492 9.900 220 2HB SER 24 3HB SER 24 5.252 -3.210 11.068 221 HG SER 24 HG SER 24 3.232 -5.140 11.124 222 QB SER 24 QB SER 24 5.059 -3.851 10.484 223 H GLU 25 HN GLU 25 4.015 -3.060 7.218 224 HA GLU 25 HA GLU 25 6.182 -1.008 7.134 225 1HB GLU 25 2HB GLU 25 5.994 -3.496 5.989 226 2HB GLU 25 3HB GLU 25 5.426 -2.514 4.656 227 1HG GLU 25 2HG GLU 25 7.609 -1.049 5.419 228 2HG GLU 25 3HG GLU 25 8.135 -2.650 5.923 229 QB GLU 25 QB GLU 25 5.710 -3.005 5.323 230 QG GLU 25 QG GLU 25 7.872 -1.850 5.671 231 H LEU 26 HN LEU 26 3.374 -1.866 5.076 232 HA LEU 26 HA LEU 26 3.148 0.466 3.630 233 1HB LEU 26 2HB LEU 26 1.879 -1.786 3.505 234 2HB LEU 26 3HB LEU 26 0.793 -1.100 4.711 235 HG LEU 26 HG LEU 26 0.883 0.954 3.105 236 1HD1 LEU 26 2HD LEU 26 1.451 -1.355 1.226 237 2HD1 LEU 26 3HD LEU 26 0.990 0.266 0.718 238 3HD1 LEU 26 1HD LEU 26 2.516 0.014 1.546 239 1HD2 LEU 26 1HD LEU 26 -0.765 -1.536 2.552 240 2HD2 LEU 26 2HD LEU 26 -1.182 -0.244 3.677 241 3HD2 LEU 26 3HD LEU 26 -1.163 0.067 1.944 242 QB LEU 26 QB LEU 26 1.336 -1.443 4.108 243 QD1 LEU 26 QD1 LEU 26 1.652 -0.358 1.163 244 QD2 LEU 26 QD2 LEU 26 -1.037 -0.571 2.724 245 QQD LEU 26 QQD LEU 26 0.308 -0.465 1.944 246 H HIS 27 HN HIS 27 1.904 -0.276 6.799 247 HA HIS 27 HA HIS 27 0.235 1.878 7.366 248 1HB HIS 27 2HB HIS 27 1.271 -0.221 8.751 249 2HB HIS 27 3HB HIS 27 2.153 1.076 9.492 250 HD1 HIS 27 HD1 HIS 27 0.839 2.646 10.944 251 HD2 HIS 27 HD2 HIS 27 -1.555 -0.291 9.351 252 HE1 HIS 27 HE1 HIS 27 -1.373 2.782 12.154 253 QB HIS 27 QB HIS 27 1.712 0.427 9.122 254 H GLU 28 HN GLU 28 3.766 1.737 7.595 255 HA GLU 28 HA GLU 28 4.286 4.227 8.812 256 1HB GLU 28 2HB GLU 28 6.020 2.550 8.343 257 2HB GLU 28 3HB GLU 28 5.851 2.810 6.615 258 1HG GLU 28 2HG GLU 28 7.774 4.089 7.428 259 2HG GLU 28 3HG GLU 28 6.508 5.229 6.993 260 QB GLU 28 QB GLU 28 5.936 2.680 7.479 261 QG GLU 28 QG GLU 28 7.141 4.659 7.211 262 H LEU 29 HN LEU 29 4.364 3.604 5.334 263 HA LEU 29 HA LEU 29 4.656 6.056 4.178 264 1HB LEU 29 2HB LEU 29 4.241 4.012 2.889 265 2HB LEU 29 3HB LEU 29 2.592 3.927 3.476 266 HG LEU 29 HG LEU 29 1.854 5.668 2.092 267 1HD1 LEU 29 2HD LEU 29 4.754 6.528 1.762 268 2HD1 LEU 29 3HD LEU 29 3.392 7.247 0.928 269 3HD1 LEU 29 1HD LEU 29 3.525 7.399 2.663 270 1HD2 LEU 29 3HD LEU 29 4.158 4.365 0.587 271 2HD2 LEU 29 1HD LEU 29 2.530 3.713 0.740 272 3HD2 LEU 29 2HD LEU 29 2.799 5.197 -0.164 273 QB LEU 29 QB LEU 29 3.417 3.969 3.182 274 QD1 LEU 29 QD1 LEU 29 3.890 7.058 1.784 275 QD2 LEU 29 QD2 LEU 29 3.162 4.425 0.388 276 QQD LEU 29 QQD LEU 29 3.526 5.741 1.086 277 H ALA 30 HN ALA 30 1.584 4.919 5.586 278 HA ALA 30 HA ALA 30 -0.198 6.916 4.978 279 1HB ALA 30 1HB ALA 30 -0.672 5.100 6.596 280 2HB ALA 30 2HB ALA 30 0.335 5.905 7.794 281 3HB ALA 30 3HB ALA 30 -1.157 6.665 7.244 282 QB ALA 30 QB ALA 30 -0.498 5.890 7.211 283 H SER 31 HN SER 31 2.164 7.182 7.621 284 HA SER 31 HA SER 31 1.802 9.714 8.620 285 1HB SER 31 2HB SER 31 4.570 8.730 7.805 286 2HB SER 31 3HB SER 31 4.127 9.681 9.236 287 HG SER 31 HG SER 31 4.027 6.991 8.848 288 QB SER 31 QB SER 31 4.348 9.205 8.520 289 H THR 32 HN THR 32 3.547 8.926 5.697 290 HA THR 32 HA THR 32 3.227 11.740 4.721 291 HB THR 32 HB THR 32 5.659 9.896 4.410 292 HG1 THR 32 1HG THR 32 4.753 11.678 6.247 293 1HG2 THR 32 2HG THR 32 5.264 12.824 3.646 294 2HG2 THR 32 3HG THR 32 6.742 11.887 3.456 295 3HG2 THR 32 1HG THR 32 5.332 11.506 2.481 296 QG2 THR 32 QG2 THR 32 5.779 12.072 3.194 297 NH1 ARG 33 NH1 ARG 33 -1.557 11.030 -0.773 298 NH2 ARG 33 NH2 ARG 33 -3.656 10.824 0.038 299 H ARG 33 HN ARG 33 1.357 9.878 4.266 300 HA ARG 33 HA ARG 33 1.568 8.140 2.106 301 1HB ARG 33 2HB ARG 33 -0.880 8.727 1.644 302 2HB ARG 33 3HB ARG 33 -0.473 8.080 3.223 303 1HG ARG 33 2HG ARG 33 -0.994 9.993 4.274 304 2HG ARG 33 3HG ARG 33 -0.194 10.997 3.082 305 1HD ARG 33 2HD ARG 33 -2.762 9.658 2.283 306 2HD ARG 33 3HD ARG 33 -2.833 11.091 3.313 307 HE ARG 33 HE ARG 33 -1.480 12.262 1.497 308 1HH1 ARG 33 2HH ARG 33 -0.590 11.216 -0.598 309 2HH1 ARG 33 1HH ARG 33 -1.866 10.793 -1.704 310 1HH2 ARG 33 2HH ARG 33 -4.290 10.896 0.802 311 2HH2 ARG 33 1HH ARG 33 -3.985 10.548 -0.872 312 QB ARG 33 QB ARG 33 -0.677 8.403 2.434 313 QG ARG 33 QG ARG 33 -0.594 10.495 3.678 314 QD ARG 33 QD ARG 33 -2.797 10.375 2.798 315 QH1 ARG 33 QH1 ARG 33 -1.228 11.005 -1.151 316 QH2 ARG 33 QH2 ARG 33 -4.137 10.722 -0.035 317 H GLN 34 HN GLN 34 2.766 8.786 0.363 318 HA GLN 34 HA GLN 34 2.094 11.202 -1.122 319 1HB GLN 34 2HB GLN 34 3.497 8.712 -2.182 320 2HB GLN 34 3HB GLN 34 3.509 10.312 -2.908 321 1HG GLN 34 2HG GLN 34 4.648 11.173 -0.815 322 2HG GLN 34 3HG GLN 34 4.777 9.507 -0.265 323 1HE2 GLN 34 2HE GLN 34 6.701 9.624 -3.796 324 2HE2 GLN 34 1HE GLN 34 5.010 9.651 -3.695 325 QB GLN 34 QB GLN 34 3.503 9.512 -2.545 326 QG GLN 34 QG GLN 34 4.713 10.340 -0.540 327 QE2 GLN 34 QE2 GLN 34 5.855 9.637 -3.746 328 H ILE 35 HN ILE 35 0.887 8.100 -0.727 329 HA ILE 35 HA ILE 35 -0.761 8.054 -3.203 330 HB ILE 35 HB ILE 35 -1.178 5.667 -2.489 331 1HG1 ILE 35 2HG ILE 35 0.939 6.182 -0.368 332 2HG1 ILE 35 3HG ILE 35 -0.774 6.304 0.000 333 1HG2 ILE 35 3HG ILE 35 1.762 6.447 -2.602 334 2HG2 ILE 35 1HG ILE 35 1.103 4.846 -2.921 335 3HG2 ILE 35 2HG ILE 35 0.719 6.181 -3.997 336 1HD1 ILE 35 3HD ILE 35 -1.102 3.966 -0.745 337 2HD1 ILE 35 1HD ILE 35 0.621 3.841 -1.095 338 3HD1 ILE 35 2HD ILE 35 0.073 4.070 0.561 339 QG1 ILE 35 QG1 ILE 35 0.082 6.243 -0.184 340 QG2 ILE 35 QG2 ILE 35 1.195 5.825 -3.173 341 QD1 ILE 35 QD1 ILE 35 -0.136 3.959 -0.426 342 H ASP 36 HN ASP 36 -2.951 7.131 -2.893 343 HA ASP 36 HA ASP 36 -4.226 7.774 -0.282 344 1HB ASP 36 2HB ASP 36 -6.081 8.284 -2.436 345 2HB ASP 36 3HB ASP 36 -5.601 9.377 -1.165 346 QB ASP 36 QB ASP 36 -5.841 8.830 -1.801 347 H PHE 37 HN PHE 37 -6.072 6.355 0.054 348 HA PHE 37 HA PHE 37 -5.771 3.871 -1.535 349 1HB PHE 37 2HB PHE 37 -7.172 4.420 1.104 350 2HB PHE 37 3HB PHE 37 -7.133 2.849 0.319 351 HD1 PHE 37 HD1 PHE 37 -4.823 5.560 1.524 352 HD2 PHE 37 HD2 PHE 37 -5.311 1.397 0.745 353 HE1 PHE 37 HE1 PHE 37 -2.679 5.102 2.625 354 HE2 PHE 37 HE2 PHE 37 -3.185 0.942 1.869 355 HZ PHE 37 HZ PHE 37 -1.852 2.788 2.796 356 QB PHE 37 QB PHE 37 -7.152 3.635 0.712 357 QR PHE 37 QR PHE 37 -3.999 3.250 1.691 358 CH2 TRP 38 CH2 TRP 38 -10.583 2.563 -9.420 359 H TRP 38 HN TRP 38 -7.682 2.640 -2.087 360 HA TRP 38 HA TRP 38 -9.918 4.438 -2.966 361 1HB TRP 38 2HB TRP 38 -8.342 3.367 -4.639 362 2HB TRP 38 3HB TRP 38 -8.988 1.838 -4.203 363 HD1 TRP 38 HD1 TRP 38 -12.051 3.650 -4.195 364 HE1 TRP 38 HE1 TRP 38 -13.202 3.648 -6.415 365 HE3 TRP 38 HE3 TRP 38 -8.166 2.309 -7.043 366 HZ2 TRP 38 HZ2 TRP 38 -12.613 3.153 -9.086 367 HZ3 TRP 38 HZ3 TRP 38 -8.518 2.018 -9.475 368 HH2 TRP 38 HH2 TRP 38 -10.714 2.440 -10.486 369 QB TRP 38 QB TRP 38 -8.665 2.603 -4.421 370 H LYS 39 HN LYS 39 -9.902 0.904 -3.047 371 HA LYS 39 HA LYS 39 -12.122 0.947 -1.020 372 1HB LYS 39 2HB LYS 39 -11.883 -1.416 -2.823 373 2HB LYS 39 3HB LYS 39 -13.318 -0.629 -2.204 374 1HG LYS 39 2HG LYS 39 -13.494 -0.095 -4.451 375 2HG LYS 39 3HG LYS 39 -12.607 1.309 -3.875 376 1HD LYS 39 2HD LYS 39 -10.577 0.570 -4.789 377 2HD LYS 39 3HD LYS 39 -11.057 -1.120 -4.781 378 1HE LYS 39 2HE LYS 39 -12.468 -0.836 -6.678 379 2HE LYS 39 3HE LYS 39 -12.436 0.916 -6.545 380 1HZ LYS 39 2HZ LYS 39 -9.775 -0.021 -6.816 381 2HZ LYS 39 3HZ LYS 39 -10.716 -0.715 -8.038 382 3HZ LYS 39 1HZ LYS 39 -10.669 0.974 -7.860 383 QB LYS 39 QB LYS 39 -12.600 -1.022 -2.513 384 QG LYS 39 QG LYS 39 -13.050 0.607 -4.163 385 QD LYS 39 QD LYS 39 -10.817 -0.275 -4.785 386 QE LYS 39 QE LYS 39 -12.452 0.040 -6.611 387 QZ LYS 39 QZ LYS 39 -10.387 0.079 -7.571 388 HA PRO 40 HA PRO 40 -11.642 0.859 1.102 389 1HB PRO 40 2HB PRO 40 -12.380 -0.952 3.137 390 2HB PRO 40 3HB PRO 40 -13.485 -0.233 1.962 391 1HG PRO 40 2HG PRO 40 -12.836 -3.003 2.112 392 2HG PRO 40 3HG PRO 40 -13.626 -2.215 0.739 393 1HD PRO 40 2HD PRO 40 -10.708 -2.874 1.125 394 2HD PRO 40 3HD PRO 40 -11.634 -2.946 -0.379 395 QB PRO 40 QB PRO 40 -12.932 -0.593 2.549 396 QG PRO 40 QG PRO 40 -13.231 -2.609 1.425 397 QD PRO 40 QD PRO 40 -11.171 -2.910 0.373 398 H ASP 41 HN ASP 41 -10.322 1.719 2.652 399 HA ASP 41 HA ASP 41 -8.148 -0.062 3.663 400 1HB ASP 41 2HB ASP 41 -7.137 1.262 1.998 401 2HB ASP 41 3HB ASP 41 -8.004 2.709 2.483 402 QB ASP 41 QB ASP 41 -7.571 1.986 2.240 403 H SER 42 HN SER 42 -8.156 3.253 4.462 404 HA SER 42 HA SER 42 -8.449 4.390 6.469 405 1HB SER 42 2HB SER 42 -10.754 3.216 6.484 406 2HB SER 42 3HB SER 42 -10.004 1.984 7.525 407 HG SER 42 HG SER 42 -9.566 3.473 9.027 408 QB SER 42 QB SER 42 -10.379 2.600 7.004 409 H VAL 43 HN VAL 43 -6.361 2.833 5.762 410 HA VAL 43 HA VAL 43 -4.835 1.129 6.643 411 HB VAL 43 HB VAL 43 -3.904 3.184 5.836 412 1HG1 VAL 43 1HG VAL 43 -5.256 4.736 7.250 413 2HG1 VAL 43 2HG VAL 43 -4.265 4.307 8.640 414 3HG1 VAL 43 3HG VAL 43 -3.544 5.135 7.271 415 1HG2 VAL 43 3HG VAL 43 -2.367 1.589 6.941 416 2HG2 VAL 43 1HG VAL 43 -1.820 3.245 7.167 417 3HG2 VAL 43 2HG VAL 43 -2.620 2.397 8.483 418 QG1 VAL 43 QG1 VAL 43 -4.355 4.726 7.720 419 QG2 VAL 43 QG2 VAL 43 -2.269 2.410 7.530 420 QQG VAL 43 QQG VAL 43 -3.312 3.568 7.625 421 H THR 44 HN THR 44 -5.701 3.386 9.270 422 HA THR 44 HA THR 44 -4.350 2.149 11.358 423 HB THR 44 HB THR 44 -6.362 2.957 12.809 424 HG1 THR 44 1HG THR 44 -7.344 2.961 10.307 425 1HG2 THR 44 2HG THR 44 -4.367 4.431 12.257 426 2HG2 THR 44 3HG THR 44 -5.195 4.930 10.786 427 3HG2 THR 44 1HG THR 44 -5.873 5.334 12.360 428 QG2 THR 44 QG2 THR 44 -5.145 4.898 11.801 429 H GLN 45 HN GLN 45 -7.307 0.996 9.805 430 HA GLN 45 HA GLN 45 -7.425 -1.207 11.812 431 1HB GLN 45 2HB GLN 45 -9.440 0.342 11.142 432 2HB GLN 45 3HB GLN 45 -9.527 -0.683 9.715 433 1HG GLN 45 2HG GLN 45 -9.487 -2.675 11.382 434 2HG GLN 45 3HG GLN 45 -9.826 -1.477 12.619 435 1HE2 GLN 45 2HE GLN 45 -12.744 -1.761 9.747 436 2HE2 GLN 45 1HE GLN 45 -11.116 -1.629 9.262 437 QB GLN 45 QB GLN 45 -9.484 -0.170 10.428 438 QG GLN 45 QG GLN 45 -9.657 -2.076 12.000 439 QE2 GLN 45 QE2 GLN 45 -11.930 -1.695 9.504 440 H ILE 46 HN ILE 46 -5.713 -1.002 9.114 441 HA ILE 46 HA ILE 46 -6.810 -3.160 7.519 442 HB ILE 46 HB ILE 46 -4.029 -2.018 7.698 443 1HG1 ILE 46 2HG ILE 46 -5.933 -0.632 6.817 444 2HG1 ILE 46 3HG ILE 46 -4.501 -0.781 5.800 445 1HG2 ILE 46 1HG ILE 46 -5.047 -4.093 5.763 446 2HG2 ILE 46 2HG ILE 46 -3.511 -3.245 5.610 447 3HG2 ILE 46 3HG ILE 46 -3.788 -4.331 6.963 448 1HD1 ILE 46 3HD ILE 46 -6.969 -2.495 5.586 449 2HD1 ILE 46 1HD ILE 46 -6.577 -1.127 4.548 450 3HD1 ILE 46 2HD ILE 46 -5.555 -2.556 4.537 451 QG1 ILE 46 QG1 ILE 46 -5.217 -0.706 6.309 452 QG2 ILE 46 QG2 ILE 46 -4.115 -3.890 6.112 453 QD1 ILE 46 QD1 ILE 46 -6.367 -2.059 4.890 454 H LYS 47 HN LYS 47 -6.413 -5.353 7.583 455 HA LYS 47 HA LYS 47 -4.641 -6.391 9.726 456 1HB LYS 47 2HB LYS 47 -7.508 -6.322 9.877 457 2HB LYS 47 3HB LYS 47 -7.022 -8.000 9.695 458 1HG LYS 47 2HG LYS 47 -6.951 -7.654 12.044 459 2HG LYS 47 3HG LYS 47 -5.273 -7.485 11.575 460 1HD LYS 47 2HD LYS 47 -6.252 -4.892 11.306 461 2HD LYS 47 3HD LYS 47 -7.095 -5.497 12.715 462 1HE LYS 47 2HE LYS 47 -5.110 -4.624 13.640 463 2HE LYS 47 3HE LYS 47 -4.764 -6.342 13.517 464 1HZ LYS 47 3HZ LYS 47 -4.050 -5.099 11.103 465 2HZ LYS 47 1HZ LYS 47 -3.366 -4.222 12.379 466 3HZ LYS 47 2HZ LYS 47 -3.025 -5.876 12.232 467 QB LYS 47 QB LYS 47 -7.265 -7.161 9.786 468 QG LYS 47 QG LYS 47 -6.112 -7.570 11.810 469 QD LYS 47 QD LYS 47 -6.674 -5.195 12.011 470 QE LYS 47 QE LYS 47 -4.937 -5.483 13.579 471 QZ LYS 47 QZ LYS 47 -3.480 -5.066 11.905 472 HA PRO 48 HA PRO 48 -3.130 -9.647 7.320 473 1HB PRO 48 2HB PRO 48 -5.032 -11.619 8.579 474 2HB PRO 48 3HB PRO 48 -3.292 -11.776 8.316 475 1HG PRO 48 2HG PRO 48 -4.255 -11.115 10.747 476 2HG PRO 48 3HG PRO 48 -2.763 -10.379 10.151 477 1HD PRO 48 2HD PRO 48 -5.477 -9.179 10.420 478 2HD PRO 48 3HD PRO 48 -3.886 -8.386 10.444 479 QB PRO 48 QB PRO 48 -4.162 -11.697 8.448 480 QG PRO 48 QG PRO 48 -3.509 -10.747 10.449 481 QD PRO 48 QD PRO 48 -4.682 -8.782 10.432 482 H HIS 49 HN HIS 49 -3.488 -11.347 5.774 483 HA HIS 49 HA HIS 49 -4.239 -11.520 3.509 484 1HB HIS 49 2HB HIS 49 -6.026 -13.249 3.593 485 2HB HIS 49 3HB HIS 49 -4.637 -13.589 4.589 486 HD1 HIS 49 HD1 HIS 49 -7.989 -11.993 5.033 487 HD2 HIS 49 HD2 HIS 49 -5.390 -14.370 7.176 488 HE1 HIS 49 HE1 HIS 49 -9.143 -12.553 7.210 489 QB HIS 49 QB HIS 49 -5.331 -13.419 4.091 490 H SER 50 HN SER 50 -4.846 -9.054 3.717 491 HA SER 50 HA SER 50 -7.780 -8.884 3.118 492 1HB SER 50 2HB SER 50 -7.568 -7.510 5.019 493 2HB SER 50 3HB SER 50 -5.985 -6.909 4.536 494 HG SER 50 HG SER 50 -8.251 -5.780 4.007 495 QB SER 50 QB SER 50 -6.776 -7.209 4.778 496 H THR 51 HN THR 51 -8.392 -7.452 1.463 497 HA THR 51 HA THR 51 -6.239 -6.872 -0.520 498 HB THR 51 HB THR 51 -7.976 -7.633 -2.279 499 HG1 THR 51 1HG THR 51 -9.689 -7.373 -0.643 500 1HG2 THR 51 1HG THR 51 -6.167 -9.224 -1.354 501 2HG2 THR 51 2HG THR 51 -7.338 -9.725 -0.137 502 3HG2 THR 51 3HG THR 51 -7.650 -10.035 -1.841 503 QG2 THR 51 QG2 THR 51 -7.052 -9.661 -1.111 504 H VAL 52 HN VAL 52 -6.155 -4.745 -0.820 505 HA VAL 52 HA VAL 52 -8.718 -3.227 -1.168 506 HB VAL 52 HB VAL 52 -7.907 -1.424 0.210 507 1HG1 VAL 52 2HG VAL 52 -8.914 -3.340 1.440 508 2HG1 VAL 52 3HG VAL 52 -7.321 -4.046 1.632 509 3HG1 VAL 52 1HG VAL 52 -7.707 -2.519 2.413 510 1HG2 VAL 52 2HG VAL 52 -5.361 -3.023 0.472 511 2HG2 VAL 52 3HG VAL 52 -5.543 -1.509 -0.412 512 3HG2 VAL 52 1HG VAL 52 -5.720 -1.532 1.341 513 QG1 VAL 52 QG1 VAL 52 -7.981 -3.302 1.828 514 QG2 VAL 52 QG2 VAL 52 -5.541 -2.021 0.467 515 QQG VAL 52 QQG VAL 52 -6.761 -2.661 1.148 516 H ASP 53 HN ASP 53 -8.221 -1.050 -2.392 517 HA ASP 53 HA ASP 53 -5.946 -1.518 -4.289 518 1HB ASP 53 2HB ASP 53 -8.287 -2.022 -5.134 519 2HB ASP 53 3HB ASP 53 -8.648 -0.315 -4.943 520 QB ASP 53 QB ASP 53 -8.467 -1.168 -5.038 521 H PHE 54 HN PHE 54 -5.227 0.461 -5.483 522 HA PHE 54 HA PHE 54 -5.364 2.916 -3.739 523 1HB PHE 54 2HB PHE 54 -3.181 1.915 -5.594 524 2HB PHE 54 3HB PHE 54 -3.214 3.559 -4.988 525 HD1 PHE 54 HD2 PHE 54 -4.507 1.469 -2.409 526 HD2 PHE 54 HD1 PHE 54 -0.874 2.634 -4.310 527 HE1 PHE 54 HE2 PHE 54 -3.232 0.688 -0.478 528 HE2 PHE 54 HE1 PHE 54 0.397 1.881 -2.354 529 HZ PHE 54 HZ PHE 54 -0.783 0.914 -0.428 530 QB PHE 54 QB PHE 54 -3.198 2.737 -5.291 531 QR PHE 54 QR PHE 54 -2.054 1.668 -2.388 532 NH1 ARG 55 NH1 ARG 55 -7.796 6.023 -4.190 533 NH2 ARG 55 NH2 ARG 55 -7.434 8.278 -4.193 534 H ARG 55 HN ARG 55 -4.085 2.816 -7.014 535 HA ARG 55 HA ARG 55 -6.026 3.557 -8.772 536 1HB ARG 55 2HB ARG 55 -6.219 6.013 -8.723 537 2HB ARG 55 3HB ARG 55 -6.788 5.366 -7.201 538 1HG ARG 55 2HG ARG 55 -4.274 5.708 -6.435 539 2HG ARG 55 3HG ARG 55 -4.201 6.803 -7.805 540 1HD ARG 55 2HD ARG 55 -4.866 8.273 -6.129 541 2HD ARG 55 3HD ARG 55 -6.438 7.766 -6.750 542 HE ARG 55 HE ARG 55 -5.183 6.430 -4.353 543 1HH1 ARG 55 2HH ARG 55 -7.471 5.110 -4.468 544 2HH1 ARG 55 1HH ARG 55 -8.676 6.121 -3.719 545 1HH2 ARG 55 2HH ARG 55 -6.775 9.038 -4.331 546 2HH2 ARG 55 1HH ARG 55 -8.358 8.472 -3.868 547 QB ARG 55 QB ARG 55 -6.504 5.689 -7.962 548 QG ARG 55 QG ARG 55 -4.238 6.255 -7.120 549 QD ARG 55 QD ARG 55 -5.652 8.019 -6.440 550 QH1 ARG 55 QH1 ARG 55 -8.074 5.616 -4.093 551 QH2 ARG 55 QH2 ARG 55 -7.567 8.755 -4.100 552 H VAL 56 HN VAL 56 -5.217 5.075 -10.531 553 HA VAL 56 HA VAL 56 -2.381 4.643 -10.975 554 HB VAL 56 HB VAL 56 -3.819 3.972 -12.773 555 1HG1 VAL 56 1HG VAL 56 -5.071 6.738 -12.623 556 2HG1 VAL 56 2HG VAL 56 -5.447 5.519 -13.832 557 3HG1 VAL 56 3HG VAL 56 -5.847 5.229 -12.149 558 1HG2 VAL 56 3HG VAL 56 -1.789 5.236 -13.510 559 2HG2 VAL 56 1HG VAL 56 -3.125 5.380 -14.645 560 3HG2 VAL 56 2HG VAL 56 -2.743 6.703 -13.567 561 QG1 VAL 56 QG1 VAL 56 -5.455 5.829 -12.868 562 QG2 VAL 56 QG2 VAL 56 -2.552 5.773 -13.907 563 QQG VAL 56 QQG VAL 56 -4.004 5.801 -13.388 564 H LYS 57 HN LYS 57 -1.616 6.233 -9.442 565 HA LYS 57 HA LYS 57 -1.918 9.052 -10.402 566 1HB LYS 57 2HB LYS 57 -2.283 8.696 -7.962 567 2HB LYS 57 3HB LYS 57 -0.679 7.972 -7.837 568 1HG LYS 57 2HG LYS 57 0.423 10.038 -8.317 569 2HG LYS 57 3HG LYS 57 -1.041 10.767 -8.973 570 1HD LYS 57 2HD LYS 57 -0.706 11.719 -6.794 571 2HD LYS 57 3HD LYS 57 -2.057 10.605 -6.655 572 1HE LYS 57 2HE LYS 57 -0.814 9.939 -4.817 573 2HE LYS 57 3HE LYS 57 -0.138 8.864 -6.032 574 1HZ LYS 57 3HZ LYS 57 1.304 11.263 -6.156 575 2HZ LYS 57 1HZ LYS 57 1.174 10.802 -4.515 576 3HZ LYS 57 2HZ LYS 57 1.850 9.746 -5.655 577 QB LYS 57 QB LYS 57 -1.481 8.334 -7.899 578 QG LYS 57 QG LYS 57 -0.309 10.403 -8.645 579 QD LYS 57 QD LYS 57 -1.382 11.162 -6.725 580 QE LYS 57 QE LYS 57 -0.476 9.401 -5.424 581 QZ LYS 57 QZ LYS 57 1.443 10.604 -5.442 582 H ALA 58 HN ALA 58 0.151 10.240 -10.715 583 HA ALA 58 HA ALA 58 2.458 8.412 -11.263 584 1HB ALA 58 3HB ALA 58 1.159 8.974 -13.321 585 2HB ALA 58 1HB ALA 58 1.481 10.675 -13.042 586 3HB ALA 58 2HB ALA 58 2.808 9.578 -13.396 587 QB ALA 58 QB ALA 58 1.816 9.742 -13.253 588 H GLU 59 HN GLU 59 4.182 10.110 -12.270 589 HA GLU 59 HA GLU 59 5.781 11.731 -11.916 590 1HB GLU 59 2HB GLU 59 3.872 12.986 -9.919 591 2HB GLU 59 3HB GLU 59 5.260 13.747 -10.683 592 1HG GLU 59 2HG GLU 59 2.674 12.870 -11.998 593 2HG GLU 59 3HG GLU 59 3.363 14.488 -11.941 594 QB GLU 59 QB GLU 59 4.566 13.366 -10.301 595 QG GLU 59 QG GLU 59 3.019 13.679 -11.970 596 H ASP 60 HN ASP 60 4.257 11.137 -8.741 597 HA ASP 60 HA ASP 60 7.012 10.940 -7.622 598 1HB ASP 60 2HB ASP 60 5.877 10.984 -5.430 599 2HB ASP 60 3HB ASP 60 5.359 12.330 -6.434 600 QB ASP 60 QB ASP 60 5.618 11.657 -5.932 601 H ILE 61 HN ILE 61 5.139 8.791 -9.134 602 HA ILE 61 HA ILE 61 4.506 6.679 -7.616 603 HB ILE 61 HB ILE 61 5.482 5.721 -9.915 604 1HG1 ILE 61 2HG ILE 61 4.676 8.401 -10.833 605 2HG1 ILE 61 3HG ILE 61 6.365 8.037 -10.492 606 1HG2 ILE 61 1HG ILE 61 2.911 7.199 -9.493 607 2HG2 ILE 61 2HG ILE 61 3.186 6.093 -10.832 608 3HG2 ILE 61 3HG ILE 61 3.186 5.489 -9.181 609 1HD1 ILE 61 1HD ILE 61 4.585 6.466 -12.396 610 2HD1 ILE 61 2HD ILE 61 5.811 7.629 -12.884 611 3HD1 ILE 61 3HD ILE 61 6.284 6.140 -12.071 612 QG1 ILE 61 QG1 ILE 61 5.520 8.219 -10.662 613 QG2 ILE 61 QG2 ILE 61 3.094 6.260 -9.835 614 QD1 ILE 61 QD1 ILE 61 5.560 6.745 -12.450 615 H LEU 62 HN LEU 62 7.635 7.232 -9.184 616 HA LEU 62 HA LEU 62 9.154 5.116 -8.589 617 1HB LEU 62 2HB LEU 62 10.280 7.008 -9.466 618 2HB LEU 62 3HB LEU 62 9.793 8.031 -8.127 619 HG LEU 62 HG LEU 62 11.302 6.801 -6.602 620 1HD1 LEU 62 1HD LEU 62 12.045 5.206 -9.089 621 2HD1 LEU 62 2HD LEU 62 12.874 5.113 -7.539 622 3HD1 LEU 62 3HD LEU 62 11.209 4.570 -7.676 623 1HD2 LEU 62 3HD LEU 62 12.196 8.730 -7.864 624 2HD2 LEU 62 1HD LEU 62 13.442 7.515 -7.598 625 3HD2 LEU 62 2HD LEU 62 12.670 7.655 -9.176 626 QB LEU 62 QB LEU 62 10.037 7.519 -8.797 627 QD1 LEU 62 QD1 LEU 62 12.043 4.963 -8.101 628 QD2 LEU 62 QD2 LEU 62 12.769 7.967 -8.213 629 QQD LEU 62 QQD LEU 62 12.406 6.465 -8.157 630 H ALA 63 HN ALA 63 8.538 7.520 -5.991 631 HA ALA 63 HA ALA 63 9.926 5.883 -4.047 632 1HB ALA 63 2HB ALA 63 9.539 8.308 -3.686 633 2HB ALA 63 3HB ALA 63 7.803 8.024 -3.605 634 3HB ALA 63 1HB ALA 63 8.862 7.372 -2.359 635 QB ALA 63 QB ALA 63 8.735 7.901 -3.217 636 H VAL 64 HN VAL 64 6.593 6.106 -5.055 637 HA VAL 64 HA VAL 64 5.582 4.407 -2.922 638 HB VAL 64 HB VAL 64 4.416 5.086 -5.651 639 1HG1 VAL 64 3HG VAL 64 3.387 3.091 -4.596 640 2HG1 VAL 64 1HG VAL 64 3.086 4.022 -3.134 641 3HG1 VAL 64 2HG VAL 64 2.265 4.441 -4.635 642 1HG2 VAL 64 1HG VAL 64 4.007 6.361 -2.919 643 2HG2 VAL 64 2HG VAL 64 4.871 7.091 -4.270 644 3HG2 VAL 64 3HG VAL 64 3.139 6.805 -4.386 645 QG1 VAL 64 QG1 VAL 64 2.913 3.851 -4.122 646 QG2 VAL 64 QG2 VAL 64 4.006 6.752 -3.858 647 QQG VAL 64 QQG VAL 64 3.459 5.302 -3.990 648 H GLU 65 HN GLU 65 6.190 3.887 -6.399 649 HA GLU 65 HA GLU 65 5.637 1.098 -6.389 650 1HB GLU 65 2HB GLU 65 7.614 2.556 -8.196 651 2HB GLU 65 3HB GLU 65 6.758 1.064 -8.554 652 1HG GLU 65 2HG GLU 65 4.579 2.461 -8.200 653 2HG GLU 65 3HG GLU 65 5.615 3.864 -8.347 654 QB GLU 65 QB GLU 65 7.186 1.810 -8.375 655 QG GLU 65 QG GLU 65 5.097 3.163 -8.273 656 H ASP 66 HN ASP 66 8.620 2.933 -5.799 657 HA ASP 66 HA ASP 66 10.386 0.712 -5.456 658 1HB ASP 66 2HB ASP 66 11.093 3.144 -5.617 659 2HB ASP 66 3HB ASP 66 10.502 3.369 -3.977 660 QB ASP 66 QB ASP 66 10.797 3.257 -4.797 661 H PHE 67 HN PHE 67 8.695 2.662 -3.034 662 HA PHE 67 HA PHE 67 9.258 1.181 -0.679 663 1HB PHE 67 2HB PHE 67 7.983 3.393 -0.910 664 2HB PHE 67 3HB PHE 67 6.568 2.464 -1.326 665 HD1 PHE 67 HD1 PHE 67 5.461 1.031 0.303 666 HD2 PHE 67 HD2 PHE 67 8.877 3.306 1.458 667 HE1 PHE 67 HE1 PHE 67 5.059 0.459 2.646 668 HE2 PHE 67 HE2 PHE 67 8.459 2.727 3.807 669 HZ PHE 67 HZ PHE 67 6.561 1.260 4.396 670 QB PHE 67 QB PHE 67 7.275 2.928 -1.118 671 QR PHE 67 QR PHE 67 6.964 1.881 2.053 672 H LEU 68 HN LEU 68 7.203 0.505 -3.294 673 HA LEU 68 HA LEU 68 6.030 -1.836 -1.889 674 1HB LEU 68 2HB LEU 68 5.445 -0.586 -4.584 675 2HB LEU 68 3HB LEU 68 4.630 -2.023 -3.989 676 HG LEU 68 HG LEU 68 4.660 0.658 -2.546 677 1HD1 LEU 68 3HD LEU 68 3.404 0.756 -4.678 678 2HD1 LEU 68 1HD LEU 68 2.478 -0.664 -4.202 679 3HD1 LEU 68 2HD LEU 68 2.312 0.839 -3.302 680 1HD2 LEU 68 2HD LEU 68 3.072 -1.907 -2.056 681 2HD2 LEU 68 3HD LEU 68 4.335 -1.254 -1.018 682 3HD2 LEU 68 1HD LEU 68 2.822 -0.384 -1.205 683 QB LEU 68 QB LEU 68 5.037 -1.305 -4.287 684 QD1 LEU 68 QD1 LEU 68 2.731 0.310 -4.061 685 QD2 LEU 68 QD2 LEU 68 3.410 -1.182 -1.426 686 QQD LEU 68 QQD LEU 68 3.071 -0.436 -2.743 687 H GLU 69 HN GLU 69 8.597 -1.332 -4.156 688 HA GLU 69 HA GLU 69 8.376 -4.174 -5.052 689 1HB GLU 69 2HB GLU 69 8.705 -2.436 -6.805 690 2HB GLU 69 3HB GLU 69 10.247 -2.023 -6.078 691 1HG GLU 69 2HG GLU 69 11.035 -4.361 -6.408 692 2HG GLU 69 3HG GLU 69 9.501 -4.771 -7.155 693 QB GLU 69 QB GLU 69 9.476 -2.229 -6.441 694 QG GLU 69 QG GLU 69 10.268 -4.566 -6.781 695 H GLN 70 HN GLN 70 10.994 -2.001 -3.985 696 HA GLN 70 HA GLN 70 13.105 -3.723 -3.659 697 1HB GLN 70 2HB GLN 70 12.261 -1.740 -1.518 698 2HB GLN 70 3HB GLN 70 13.878 -2.389 -1.750 699 1HG GLN 70 2HG GLN 70 12.350 -0.560 -3.626 700 2HG GLN 70 3HG GLN 70 13.859 -0.218 -2.792 701 1HE2 GLN 70 2HE GLN 70 14.059 -1.772 -6.417 702 2HE2 GLN 70 1HE GLN 70 12.785 -0.844 -5.784 703 QB GLN 70 QB GLN 70 13.069 -2.065 -1.634 704 QG GLN 70 QG GLN 70 13.105 -0.389 -3.209 705 QE2 GLN 70 QE2 GLN 70 13.422 -1.308 -6.100 706 H ASN 71 HN ASN 71 10.259 -3.728 -1.709 707 HA ASN 71 HA ASN 71 11.331 -5.924 -0.003 708 1HB ASN 71 2HB ASN 71 9.377 -5.258 1.480 709 2HB ASN 71 3HB ASN 71 10.673 -4.068 1.342 710 1HD2 ASN 71 2HD ASN 71 7.973 -1.953 0.538 711 2HD2 ASN 71 1HD ASN 71 8.950 -2.435 1.807 712 QB ASN 71 QB ASN 71 10.025 -4.663 1.411 713 QD2 ASN 71 QD2 ASN 71 8.461 -2.194 1.172 714 H GLU 72 HN GLU 72 9.172 -5.161 -2.465 715 HA GLU 72 HA GLU 72 7.467 -6.308 -3.548 716 1HB GLU 72 2HB GLU 72 8.676 -8.626 -2.008 717 2HB GLU 72 3HB GLU 72 7.366 -8.813 -3.158 718 1HG GLU 72 2HG GLU 72 8.756 -7.843 -4.942 719 2HG GLU 72 3HG GLU 72 10.072 -7.592 -3.799 720 QB GLU 72 QB GLU 72 8.021 -8.719 -2.583 721 QG GLU 72 QG GLU 72 9.414 -7.718 -4.371 722 H LEU 73 HN LEU 73 6.812 -4.779 -1.471 723 HA LEU 73 HA LEU 73 5.275 -6.024 0.594 724 1HB LEU 73 2HB LEU 73 6.232 -3.604 0.373 725 2HB LEU 73 3HB LEU 73 4.784 -3.269 -0.554 726 HG LEU 73 HG LEU 73 3.414 -4.042 1.379 727 1HD1 LEU 73 1HD LEU 73 6.108 -4.109 2.792 728 2HD1 LEU 73 2HD LEU 73 4.549 -4.219 3.605 729 3HD1 LEU 73 3HD LEU 73 5.059 -5.495 2.511 730 1HD2 LEU 73 2HD LEU 73 5.417 -1.814 1.908 731 2HD2 LEU 73 3HD LEU 73 3.883 -1.650 1.066 732 3HD2 LEU 73 1HD LEU 73 3.904 -2.011 2.786 733 QB LEU 73 QB LEU 73 5.508 -3.437 -0.090 734 QD1 LEU 73 QD1 LEU 73 5.239 -4.608 2.969 735 QD2 LEU 73 QD2 LEU 73 4.401 -1.825 1.920 736 QQD LEU 73 QQD LEU 73 4.820 -3.216 2.445 737 H GLN 74 HN GLN 74 4.260 -7.577 -0.622 738 HA GLN 74 HA GLN 74 2.761 -8.318 -2.396 739 1HB GLN 74 2HB GLN 74 1.150 -7.595 0.061 740 2HB GLN 74 3HB GLN 74 0.828 -8.912 -1.053 741 1HG GLN 74 2HG GLN 74 3.303 -8.675 0.711 742 2HG GLN 74 3HG GLN 74 1.928 -9.714 1.028 743 1HE2 GLN 74 2HE GLN 74 3.404 -12.314 -0.824 744 2HE2 GLN 74 1HE GLN 74 2.461 -11.857 0.519 745 QB GLN 74 QB GLN 74 0.989 -8.254 -0.496 746 QG GLN 74 QG GLN 74 2.615 -9.195 0.869 747 QE2 GLN 74 QE2 GLN 74 2.932 -12.085 -0.152 748 OH TYR 75 OH TYR 75 6.556 -4.823 -7.902 749 H TYR 75 HN TYR 75 2.933 -6.244 -3.770 750 HA TYR 75 HA TYR 75 0.282 -4.873 -3.795 751 1HB TYR 75 2HB TYR 75 1.331 -3.122 -5.139 752 2HB TYR 75 3HB TYR 75 2.299 -3.384 -3.701 753 HD1 TYR 75 HD1 TYR 75 4.415 -4.855 -3.900 754 HD2 TYR 75 HD2 TYR 75 2.292 -3.410 -7.306 755 HE1 TYR 75 HE1 TYR 75 6.343 -5.338 -5.319 756 HE2 TYR 75 HE2 TYR 75 4.253 -3.842 -8.706 757 HH TYR 75 HH TYR 75 7.340 -4.823 -7.334 758 QB TYR 75 QB TYR 75 1.815 -3.253 -4.420 759 QR TYR 75 QR TYR 75 4.326 -4.361 -6.308 760 H GLU 76 HN GLU 76 -0.853 -4.847 -5.801 761 HA GLU 76 HA GLU 76 0.143 -6.840 -7.797 762 1HB GLU 76 2HB GLU 76 -1.614 -7.864 -6.388 763 2HB GLU 76 3HB GLU 76 -2.702 -6.545 -6.774 764 1HG GLU 76 2HG GLU 76 -2.465 -7.186 -9.229 765 2HG GLU 76 3HG GLU 76 -1.582 -8.608 -8.694 766 QB GLU 76 QB GLU 76 -2.158 -7.205 -6.581 767 QG GLU 76 QG GLU 76 -2.024 -7.897 -8.961 768 H VAL 77 HN VAL 77 -0.085 -6.269 -9.873 769 HA VAL 77 HA VAL 77 -1.627 -3.788 -10.478 770 HB VAL 77 HB VAL 77 0.925 -3.537 -10.380 771 1HG1 VAL 77 1HG VAL 77 1.498 -5.704 -11.404 772 2HG1 VAL 77 2HG VAL 77 0.773 -5.192 -12.922 773 3HG1 VAL 77 3HG VAL 77 2.202 -4.371 -12.312 774 1HG2 VAL 77 2HG VAL 77 -0.519 -1.941 -11.580 775 2HG2 VAL 77 3HG VAL 77 1.015 -2.160 -12.414 776 3HG2 VAL 77 1HG VAL 77 -0.439 -2.943 -13.024 777 QG1 VAL 77 QG1 VAL 77 1.491 -5.089 -12.213 778 QG2 VAL 77 QG2 VAL 77 0.019 -2.348 -12.339 779 QQG VAL 77 QQG VAL 77 0.755 -3.719 -12.276 780 H LEU 78 HN LEU 78 -2.798 -3.890 -12.397 781 HA LEU 78 HA LEU 78 -2.846 -6.589 -13.690 782 1HB LEU 78 2HB LEU 78 -5.028 -4.488 -13.424 783 2HB LEU 78 3HB LEU 78 -5.207 -6.002 -14.294 784 HG LEU 78 HG LEU 78 -4.388 -5.898 -11.369 785 1HD1 LEU 78 3HD LEU 78 -7.162 -6.250 -12.561 786 2HD1 LEU 78 1HD LEU 78 -6.761 -6.417 -10.857 787 3HD1 LEU 78 2HD LEU 78 -6.616 -4.850 -11.645 788 1HD2 LEU 78 2HD LEU 78 -5.575 -8.100 -13.114 789 2HD2 LEU 78 3HD LEU 78 -3.890 -8.004 -12.611 790 3HD2 LEU 78 1HD LEU 78 -5.150 -8.264 -11.416 791 QB LEU 78 QB LEU 78 -5.117 -5.245 -13.859 792 QD1 LEU 78 QD1 LEU 78 -6.846 -5.839 -11.688 793 QD2 LEU 78 QD2 LEU 78 -4.872 -8.123 -12.380 794 QQD LEU 78 QQD LEU 78 -5.859 -6.981 -12.034 795 H ILE 79 HN ILE 79 -1.007 -4.601 -14.349 796 HA ILE 79 HA ILE 79 -1.675 -4.197 -17.211 797 HB ILE 79 HB ILE 79 -0.481 -1.976 -15.497 798 1HG1 ILE 79 2HG ILE 79 -3.322 -2.403 -16.504 799 2HG1 ILE 79 3HG ILE 79 -2.805 -2.238 -14.836 800 1HG2 ILE 79 1HG ILE 79 0.171 -2.000 -17.907 801 2HG2 ILE 79 2HG ILE 79 -1.530 -1.984 -18.355 802 3HG2 ILE 79 3HG ILE 79 -0.822 -0.606 -17.518 803 1HD1 ILE 79 2HD ILE 79 -2.054 0.104 -15.347 804 2HD1 ILE 79 3HD ILE 79 -2.715 -0.070 -16.964 805 3HD1 ILE 79 1HD ILE 79 -3.782 -0.126 -15.568 806 QG1 ILE 79 QG1 ILE 79 -3.064 -2.320 -15.670 807 QG2 ILE 79 QG2 ILE 79 -0.727 -1.530 -17.927 808 QD1 ILE 79 QD1 ILE 79 -2.850 -0.031 -15.960 809 H ASN 80 HN ASN 80 -0.218 -6.197 -16.754 810 HA ASN 80 HA ASN 80 2.644 -5.308 -16.842 811 1HB ASN 80 2HB ASN 80 3.173 -7.627 -15.999 812 2HB ASN 80 3HB ASN 80 2.247 -6.657 -14.857 813 1HD2 ASN 80 2HD ASN 80 0.674 -10.103 -16.155 814 2HD2 ASN 80 1HD ASN 80 2.307 -9.693 -16.379 815 QB ASN 80 QB ASN 80 2.710 -7.142 -15.428 816 QD2 ASN 80 QD2 ASN 80 1.490 -9.898 -16.267 817 H ASN 81 HN ASN 81 0.774 -8.195 -17.873 818 HA ASN 81 HA ASN 81 1.713 -7.811 -20.624 819 1HB ASN 81 2HB ASN 81 3.535 -9.097 -19.408 820 2HB ASN 81 3HB ASN 81 2.358 -10.368 -19.108 821 1HD2 ASN 81 ASN 81 2.287 -10.382 -23.015 822 2HD2 ASN 81 1HD ASN 81 1.256 -9.501 -21.992 823 QB ASN 81 QB ASN 81 2.946 -9.733 -19.258 824 QD2 ASN 81 QD2 ASN 81 1.771 -9.941 -22.504 Start of MODEL 2 Raw file had 824 H/Q atoms Start of MODEL 2 1 1H HIS 1 HN2 HIS 1 6.754 1.191 -26.144 2 2H HIS 1 HN3 HIS 1 5.111 1.064 -26.319 3 3H HIS 1 HN1 HIS 1 5.809 2.551 -26.107 4 HA HIS 1 HA HIS 1 5.545 2.399 -23.940 5 1HB HIS 1 2HB HIS 1 4.779 -0.494 -24.451 6 2HB HIS 1 3HB HIS 1 4.515 0.374 -22.963 7 HD1 HIS 1 HD1 HIS 1 2.586 1.952 -22.873 8 HD2 HIS 1 HD2 HIS 1 2.909 0.200 -26.598 9 HE1 HIS 1 HE1 HIS 1 0.548 2.642 -24.178 10 QB HIS 1 QB HIS 1 4.647 -0.060 -23.707 11 H HIS 2 HN HIS 2 6.446 1.312 -21.996 12 HA HIS 2 HA HIS 2 9.006 -0.128 -22.624 13 1HB HIS 2 2HB HIS 2 8.375 1.868 -20.424 14 2HB HIS 2 3HB HIS 2 9.811 0.884 -20.437 15 HD1 HIS 2 HD1 HIS 2 10.639 3.530 -20.420 16 HD2 HIS 2 HD2 HIS 2 9.434 1.999 -24.045 17 HE1 HIS 2 HE1 HIS 2 11.601 5.040 -22.190 18 QB HIS 2 QB HIS 2 9.093 1.376 -20.431 19 H SER 3 HN SER 3 6.657 0.543 -20.102 20 HA SER 3 HA SER 3 6.677 -2.345 -19.339 21 1HB SER 3 2HB SER 3 7.736 -1.051 -17.553 22 2HB SER 3 3HB SER 3 6.449 0.165 -17.601 23 HG SER 3 HG SER 3 5.303 -1.064 -16.393 24 QB SER 3 QB SER 3 7.093 -0.444 -17.577 25 H GLY 4 HN GLY 4 4.419 -2.188 -17.679 26 1HA GLY 4 1HA GLY 4 2.275 -2.010 -19.655 27 2HA GLY 4 2HA GLY 4 2.086 -2.473 -17.964 28 QA GLY 4 QA GLY 4 2.181 -2.241 -18.810 29 H GLU 5 HN GLU 5 3.203 0.361 -19.716 30 HA GLU 5 HA GLU 5 1.527 2.109 -17.963 31 1HB GLU 5 2HB GLU 5 3.696 3.280 -19.658 32 2HB GLU 5 3HB GLU 5 3.223 3.694 -18.017 33 1HG GLU 5 2HG GLU 5 4.724 1.132 -18.697 34 2HG GLU 5 3HG GLU 5 5.524 2.624 -18.243 35 QB GLU 5 QB GLU 5 3.459 3.487 -18.837 36 QG GLU 5 QG GLU 5 5.124 1.879 -18.470 37 H HIS 6 HN HIS 6 -0.080 3.265 -19.056 38 HA HIS 6 HA HIS 6 -0.470 2.629 -21.900 39 1HB HIS 6 2HB HIS 6 -2.035 4.693 -20.352 40 2HB HIS 6 3HB HIS 6 -2.549 3.758 -21.729 41 HD1 HIS 6 HD1 HIS 6 -1.874 3.433 -18.116 42 HD2 HIS 6 HD2 HIS 6 -3.652 1.186 -21.077 43 HE1 HIS 6 HE1 HIS 6 -2.882 1.425 -16.990 44 QB HIS 6 QB HIS 6 -2.292 4.226 -21.041 45 H PHE 7 HN PHE 7 0.045 5.549 -19.984 46 HA PHE 7 HA PHE 7 1.327 6.775 -22.397 47 1HB PHE 7 2HB PHE 7 -0.925 7.812 -21.846 48 2HB PHE 7 3HB PHE 7 -0.270 8.283 -20.286 49 HD1 PHE 7 1HD PHE 7 0.566 8.541 -23.936 50 HD2 PHE 7 2HD PHE 7 0.777 10.373 -20.095 51 HE1 PHE 7 1HE PHE 7 1.569 10.550 -24.945 52 HE2 PHE 7 2HE PHE 7 1.767 12.377 -21.106 53 HZ PHE 7 HZ PHE 7 2.169 12.469 -23.530 54 QB PHE 7 QB PHE 7 -0.597 8.047 -21.066 55 QR PHE 7 QR PHE 7 1.169 10.461 -22.520 56 H GLU 8 HN GLU 8 0.935 7.432 -18.931 57 HA GLU 8 HA GLU 8 3.879 7.253 -18.613 58 1HB GLU 8 2HB GLU 8 3.286 9.651 -19.036 59 2HB GLU 8 3HB GLU 8 2.210 9.615 -17.649 60 1HG GLU 8 2HG GLU 8 5.136 8.879 -17.380 61 2HG GLU 8 3HG GLU 8 4.596 10.551 -17.269 62 QB GLU 8 QB GLU 8 2.748 9.634 -18.343 63 QG GLU 8 QG GLU 8 4.866 9.715 -17.325 64 H GLY 9 HN GLY 9 1.175 8.339 -16.559 65 1HA GLY 9 1HA GLY 9 1.720 5.985 -14.803 66 2HA GLY 9 2HA GLY 9 1.643 7.602 -14.119 67 QA GLY 9 QA GLY 9 1.681 6.794 -14.460 68 H GLU 10 HN GLU 10 -0.436 5.761 -16.400 69 HA GLU 10 HA GLU 10 -2.686 6.460 -14.548 70 1HB GLU 10 2HB GLU 10 -4.216 6.463 -16.459 71 2HB GLU 10 3HB GLU 10 -2.936 7.635 -16.682 72 1HG GLU 10 2HG GLU 10 -3.152 4.924 -18.023 73 2HG GLU 10 3HG GLU 10 -3.306 6.495 -18.782 74 QB GLU 10 QB GLU 10 -3.576 7.049 -16.571 75 QG GLU 10 QG GLU 10 -3.229 5.709 -18.403 76 H LYS 11 HN LYS 11 -1.842 4.482 -13.458 77 HA LYS 11 HA LYS 11 -3.223 2.112 -14.584 78 1HB LYS 11 2HB LYS 11 -1.190 0.740 -13.595 79 2HB LYS 11 3HB LYS 11 -1.109 1.390 -15.221 80 1HG LYS 11 2HG LYS 11 0.211 3.290 -14.461 81 2HG LYS 11 3HG LYS 11 0.020 2.804 -12.777 82 1HD LYS 11 2HD LYS 11 1.216 0.675 -13.263 83 2HD LYS 11 3HD LYS 11 1.404 1.164 -14.946 84 1HE LYS 11 2HE LYS 11 2.752 3.092 -14.282 85 2HE LYS 11 3HE LYS 11 2.504 2.722 -12.581 86 1HZ LYS 11 3HZ LYS 11 3.491 0.416 -13.782 87 2HZ LYS 11 1HZ LYS 11 4.440 1.705 -14.343 88 3HZ LYS 11 2HZ LYS 11 4.273 1.426 -12.649 89 QB LYS 11 QB LYS 11 -1.149 1.064 -14.408 90 QG LYS 11 QG LYS 11 0.115 3.047 -13.619 91 QD LYS 11 QD LYS 11 1.310 0.920 -14.104 92 QE LYS 11 QE LYS 11 2.628 2.907 -13.431 93 QZ LYS 11 QZ LYS 11 4.068 1.182 -13.592 94 H VAL 12 HN VAL 12 -3.768 0.534 -12.962 95 HA VAL 12 HA VAL 12 -4.256 1.881 -10.354 96 HB VAL 12 HB VAL 12 -5.446 -0.786 -11.087 97 1HG1 VAL 12 3HG VAL 12 -5.903 0.258 -8.883 98 2HG1 VAL 12 1HG VAL 12 -6.532 1.685 -9.688 99 3HG1 VAL 12 2HG VAL 12 -7.374 0.150 -9.841 100 1HG2 VAL 12 1HG VAL 12 -6.393 1.866 -12.236 101 2HG2 VAL 12 2HG VAL 12 -5.735 0.516 -13.157 102 3HG2 VAL 12 3HG VAL 12 -7.276 0.343 -12.332 103 QG1 VAL 12 QG1 VAL 12 -6.603 0.698 -9.470 104 QG2 VAL 12 QG2 VAL 12 -6.469 0.908 -12.575 105 QQG VAL 12 QQG VAL 12 -6.536 0.803 -11.023 106 H PHE 13 HN PHE 13 -3.980 0.588 -8.380 107 HA PHE 13 HA PHE 13 -2.006 -1.626 -8.636 108 1HB PHE 13 2HB PHE 13 -1.772 0.696 -6.691 109 2HB PHE 13 3HB PHE 13 -0.766 -0.738 -6.666 110 HD1 PHE 13 1HD PHE 13 -1.679 2.183 -8.817 111 HD2 PHE 13 2HD PHE 13 1.202 -0.845 -7.975 112 HE1 PHE 13 1HE PHE 13 -0.003 3.395 -10.137 113 HE2 PHE 13 2HE PHE 13 2.860 0.370 -9.324 114 HZ PHE 13 HZ PHE 13 2.299 2.529 -10.318 115 QB PHE 13 QB PHE 13 -1.269 -0.021 -6.679 116 QR PHE 13 QR PHE 13 0.595 1.275 -9.063 117 NH1 ARG 14 NH2 ARG 14 -3.391 -9.306 -5.155 118 NH2 ARG 14 NH1 ARG 14 -3.628 -9.300 -7.436 119 H ARG 14 HN ARG 14 -1.884 -2.944 -6.800 120 HA ARG 14 HA ARG 14 -4.021 -2.690 -4.748 121 1HB ARG 14 2HB ARG 14 -5.054 -4.169 -6.334 122 2HB ARG 14 3HB ARG 14 -3.554 -5.020 -6.616 123 1HG ARG 14 2HG ARG 14 -3.670 -5.776 -4.147 124 2HG ARG 14 3HG ARG 14 -5.314 -5.148 -4.151 125 1HD ARG 14 2HD ARG 14 -5.279 -7.578 -4.670 126 2HD ARG 14 3HD ARG 14 -5.883 -6.662 -6.034 127 HE ARG 14 HE ARG 14 -3.401 -6.802 -6.889 128 1HH1 ARG 14 2HH ARG 14 -3.361 -8.796 -4.289 129 2HH1 ARG 14 1HH ARG 14 -3.221 -10.291 -5.143 130 1HH2 ARG 14 2HH ARG 14 -3.794 -8.778 -8.288 131 2HH2 ARG 14 1HH ARG 14 -3.429 -10.274 -7.495 132 QB ARG 14 QB ARG 14 -4.304 -4.594 -6.474 133 QG ARG 14 QG ARG 14 -4.492 -5.462 -4.149 134 QD ARG 14 QD ARG 14 -5.582 -7.119 -5.352 135 QH1 ARG 14 QH2 ARG 14 -3.291 -9.543 -4.716 136 QH2 ARG 14 QH1 ARG 14 -3.612 -9.526 -7.892 137 H VAL 15 HN VAL 15 -3.461 -3.664 -2.823 138 HA VAL 15 HA VAL 15 -0.803 -5.006 -2.704 139 HB VAL 15 HB VAL 15 -1.764 -2.835 -0.781 140 1HG1 VAL 15 1HG VAL 15 0.826 -4.441 -0.845 141 2HG1 VAL 15 2HG VAL 15 0.459 -3.141 0.281 142 3HG1 VAL 15 3HG VAL 15 -0.456 -4.641 0.341 143 1HG2 VAL 15 1HG VAL 15 0.545 -2.898 -2.774 144 2HG2 VAL 15 2HG VAL 15 -0.927 -1.952 -2.949 145 3HG2 VAL 15 3HG VAL 15 0.211 -1.582 -1.656 146 QG1 VAL 15 QG1 VAL 15 0.277 -4.074 -0.074 147 QG2 VAL 15 QG2 VAL 15 -0.057 -2.143 -2.460 148 QQG VAL 15 QQG VAL 15 0.110 -3.109 -1.267 149 H ASN 16 HN ASN 16 -0.771 -6.575 -0.950 150 HA ASN 16 HA ASN 16 -3.566 -7.200 -0.051 151 1HB ASN 16 2HB ASN 16 -1.308 -8.966 -0.975 152 2HB ASN 16 3HB ASN 16 -2.542 -9.615 0.093 153 1HD2 ASN 16 2HD ASN 16 -4.678 -8.131 -2.942 154 2HD2 ASN 16 1HD ASN 16 -4.011 -7.162 -1.721 155 QB ASN 16 QB ASN 16 -1.925 -9.291 -0.441 156 QD2 ASN 16 QD2 ASN 16 -4.344 -7.646 -2.332 157 H VAL 17 HN VAL 17 -3.771 -8.272 1.965 158 HA VAL 17 HA VAL 17 -1.618 -7.413 3.864 159 HB VAL 17 HB VAL 17 -4.537 -7.753 4.608 160 1HG1 VAL 17 1HG VAL 17 -2.278 -6.045 5.696 161 2HG1 VAL 17 2HG VAL 17 -3.905 -6.121 6.360 162 3HG1 VAL 17 3HG VAL 17 -2.866 -7.541 6.412 163 1HG2 VAL 17 3HG VAL 17 -3.218 -5.254 3.469 164 2HG2 VAL 17 1HG VAL 17 -4.513 -6.174 2.714 165 3HG2 VAL 17 2HG VAL 17 -4.817 -5.298 4.206 166 QG1 VAL 17 QG1 VAL 17 -3.017 -6.569 6.156 167 QG2 VAL 17 QG2 VAL 17 -4.182 -5.575 3.463 168 QQG VAL 17 QQG VAL 17 -3.599 -6.073 4.810 169 H GLU 18 HN GLU 18 -0.731 -9.525 3.286 170 HA GLU 18 HA GLU 18 -2.048 -11.962 3.941 171 1HB GLU 18 2HB GLU 18 0.927 -11.303 3.897 172 2HB GLU 18 3HB GLU 18 0.244 -12.918 3.877 173 1HG GLU 18 2HG GLU 18 -0.257 -10.805 1.748 174 2HG GLU 18 3HG GLU 18 0.840 -12.171 1.581 175 QB GLU 18 QB GLU 18 0.585 -12.111 3.887 176 QG GLU 18 QG GLU 18 0.292 -11.488 1.664 177 H ASP 19 HN ASP 19 0.037 -9.790 5.765 178 HA ASP 19 HA ASP 19 -0.863 -11.087 8.259 179 1HB ASP 19 2HB ASP 19 1.299 -11.687 9.007 180 2HB ASP 19 3HB ASP 19 1.329 -12.141 7.313 181 QB ASP 19 QB ASP 19 1.314 -11.914 8.160 182 H GLU 20 HN GLU 20 1.330 -9.744 9.690 183 HA GLU 20 HA GLU 20 0.143 -7.055 9.858 184 1HB GLU 20 2HB GLU 20 1.941 -8.731 11.624 185 2HB GLU 20 3HB GLU 20 1.495 -7.091 12.004 186 1HG GLU 20 2HG GLU 20 -0.595 -9.195 11.388 187 2HG GLU 20 3HG GLU 20 0.022 -8.975 13.015 188 QB GLU 20 QB GLU 20 1.718 -7.911 11.815 189 QG GLU 20 QG GLU 20 -0.287 -9.085 12.201 190 H ASN 21 HN ASN 21 3.023 -8.650 8.798 191 HA ASN 21 HA ASN 21 4.922 -6.496 8.961 192 1HB ASN 21 2HB ASN 21 5.781 -8.698 8.383 193 2HB ASN 21 3HB ASN 21 4.659 -8.854 7.040 194 1HD2 ASN 21 2HD ASN 21 6.799 -7.197 4.768 195 2HD2 ASN 21 1HD ASN 21 5.307 -7.991 4.997 196 QB ASN 21 QB ASN 21 5.220 -8.776 7.711 197 QD2 ASN 21 QD2 ASN 21 6.053 -7.594 4.883 198 H ASP 22 HN ASP 22 2.990 -7.730 6.274 199 HA ASP 22 HA ASP 22 3.473 -5.633 4.454 200 1HB ASP 22 2HB ASP 22 1.286 -7.640 4.900 201 2HB ASP 22 3HB ASP 22 1.031 -6.397 3.680 202 QB ASP 22 QB ASP 22 1.158 -7.019 4.290 203 H ILE 23 HN ILE 23 1.265 -5.822 7.180 204 HA ILE 23 HA ILE 23 0.006 -3.282 6.534 205 HB ILE 23 HB ILE 23 0.212 -4.771 9.193 206 1HG1 ILE 23 2HG ILE 23 -2.105 -4.300 7.283 207 2HG1 ILE 23 3HG ILE 23 -1.176 -5.792 7.384 208 1HG2 ILE 23 3HG ILE 23 -1.362 -2.252 8.508 209 2HG2 ILE 23 1HG ILE 23 -1.465 -3.125 10.031 210 3HG2 ILE 23 2HG ILE 23 0.027 -2.310 9.584 211 1HD1 ILE 23 1HD ILE 23 -1.843 -6.024 9.770 212 2HD1 ILE 23 2HD ILE 23 -2.830 -4.573 9.629 213 3HD1 ILE 23 3HD ILE 23 -3.234 -6.005 8.692 214 QG1 ILE 23 QG1 ILE 23 -1.640 -5.046 7.334 215 QG2 ILE 23 QG2 ILE 23 -0.933 -2.563 9.374 216 QD1 ILE 23 QD1 ILE 23 -2.636 -5.534 9.364 217 H SER 24 HN SER 24 2.072 -3.948 9.372 218 HA SER 24 HA SER 24 3.091 -1.600 10.111 219 1HB SER 24 2HB SER 24 4.821 -3.991 9.347 220 2HB SER 24 3HB SER 24 5.334 -2.677 10.425 221 HG SER 24 HG SER 24 3.411 -4.687 10.808 222 QB SER 24 QB SER 24 5.077 -3.335 9.886 223 H GLU 25 HN GLU 25 4.215 -3.180 7.186 224 HA GLU 25 HA GLU 25 6.033 -1.088 6.381 225 1HB GLU 25 2HB GLU 25 4.794 -3.467 4.985 226 2HB GLU 25 3HB GLU 25 5.965 -2.424 4.195 227 1HG GLU 25 2HG GLU 25 6.445 -3.960 6.781 228 2HG GLU 25 3HG GLU 25 7.070 -4.408 5.198 229 QB GLU 25 QB GLU 25 5.380 -2.946 4.590 230 QG GLU 25 QG GLU 25 6.757 -4.184 5.989 231 H LEU 26 HN LEU 26 2.961 -2.130 4.751 232 HA LEU 26 HA LEU 26 2.965 0.078 2.995 233 1HB LEU 26 2HB LEU 26 1.655 -2.016 2.651 234 2HB LEU 26 3HB LEU 26 0.666 -1.614 4.058 235 HG LEU 26 HG LEU 26 0.246 0.590 2.942 236 1HD1 LEU 26 1HD LEU 26 1.327 -0.900 0.542 237 2HD1 LEU 26 2HD LEU 26 0.474 0.638 0.450 238 3HD1 LEU 26 3HD LEU 26 2.028 0.544 1.269 239 1HD2 LEU 26 2HD LEU 26 -0.815 -1.901 1.594 240 2HD2 LEU 26 3HD LEU 26 -1.490 -1.126 3.025 241 3HD2 LEU 26 1HD LEU 26 -1.555 -0.305 1.470 242 QB LEU 26 QB LEU 26 1.160 -1.815 3.355 243 QD1 LEU 26 QD1 LEU 26 1.276 0.093 0.754 244 QD2 LEU 26 QD2 LEU 26 -1.287 -1.110 2.029 245 QQD LEU 26 QQD LEU 26 -0.005 -0.508 1.391 246 H HIS 27 HN HIS 27 1.639 -0.565 6.081 247 HA HIS 27 HA HIS 27 0.021 1.679 6.616 248 1HB HIS 27 2HB HIS 27 0.524 -0.506 7.945 249 2HB HIS 27 3HB HIS 27 1.835 0.386 8.653 250 HD1 HIS 27 HD1 HIS 27 0.769 2.886 9.455 251 HD2 HIS 27 HD2 HIS 27 -1.655 -0.438 9.652 252 HE1 HIS 27 HE1 HIS 27 -1.091 3.418 11.057 253 QB HIS 27 QB HIS 27 1.180 -0.060 8.299 254 H GLU 28 HN GLU 28 3.449 1.225 6.677 255 HA GLU 28 HA GLU 28 4.124 3.761 7.930 256 1HB GLU 28 2HB GLU 28 5.609 1.723 7.910 257 2HB GLU 28 3HB GLU 28 5.782 1.898 6.177 258 1HG GLU 28 2HG GLU 28 6.503 4.406 6.983 259 2HG GLU 28 3HG GLU 28 7.059 3.442 8.346 260 QB GLU 28 QB GLU 28 5.696 1.810 7.043 261 QG GLU 28 QG GLU 28 6.781 3.924 7.665 262 H LEU 29 HN LEU 29 4.623 2.476 4.657 263 HA LEU 29 HA LEU 29 5.381 4.662 3.217 264 1HB LEU 29 2HB LEU 29 4.921 2.448 2.221 265 2HB LEU 29 3HB LEU 29 3.197 2.698 2.420 266 HG LEU 29 HG LEU 29 3.299 4.624 0.870 267 1HD1 LEU 29 1HD LEU 29 6.224 3.878 0.600 268 2HD1 LEU 29 2HD LEU 29 5.388 5.037 -0.422 269 3HD1 LEU 29 3HD LEU 29 5.605 5.368 1.290 270 1HD2 LEU 29 1HD LEU 29 2.870 2.363 -0.049 271 2HD2 LEU 29 2HD LEU 29 3.772 3.347 -1.193 272 3HD2 LEU 29 3HD LEU 29 4.601 2.116 -0.249 273 QB LEU 29 QB LEU 29 4.059 2.573 2.321 274 QD1 LEU 29 QD1 LEU 29 5.739 4.761 0.490 275 QD2 LEU 29 QD2 LEU 29 3.748 2.609 -0.497 276 QQD LEU 29 QQD LEU 29 4.743 3.685 -0.004 277 H ALA 30 HN ALA 30 2.140 3.956 4.289 278 HA ALA 30 HA ALA 30 0.471 5.764 3.174 279 1HB ALA 30 3HB ALA 30 -0.199 4.297 5.022 280 2HB ALA 30 1HB ALA 30 0.703 5.298 6.157 281 3HB ALA 30 2HB ALA 30 -0.715 5.953 5.341 282 QB ALA 30 QB ALA 30 -0.070 5.183 5.507 283 H SER 31 HN SER 31 2.656 6.738 5.841 284 HA SER 31 HA SER 31 1.841 9.573 5.452 285 1HB SER 31 2HB SER 31 3.531 8.125 7.507 286 2HB SER 31 3HB SER 31 3.576 9.892 7.384 287 HG SER 31 HG SER 31 1.704 9.911 8.335 288 QB SER 31 QB SER 31 3.554 9.009 7.446 289 H THR 32 HN THR 32 3.286 8.267 3.354 290 HA THR 32 HA THR 32 5.511 10.222 3.099 291 HB THR 32 HB THR 32 5.818 7.182 2.879 292 HG1 THR 32 1HG THR 32 6.168 9.140 4.703 293 1HG2 THR 32 1HG THR 32 7.872 9.386 2.338 294 2HG2 THR 32 2HG THR 32 8.174 7.653 2.300 295 3HG2 THR 32 3HG THR 32 7.159 8.398 1.068 296 QG2 THR 32 QG2 THR 32 7.735 8.479 1.902 297 NH1 ARG 33 NH2 ARG 33 -1.564 7.518 1.458 298 NH2 ARG 33 NH1 ARG 33 -2.549 5.897 0.252 299 H ARG 33 HN ARG 33 3.578 7.682 1.702 300 HA ARG 33 HA ARG 33 3.925 8.455 -1.055 301 1HB ARG 33 2HB ARG 33 2.041 6.900 -1.445 302 2HB ARG 33 3HB ARG 33 3.131 6.182 -0.271 303 1HG ARG 33 2HG ARG 33 1.638 7.153 1.554 304 2HG ARG 33 3HG ARG 33 0.514 7.613 0.293 305 1HD ARG 33 2HD ARG 33 0.530 5.150 -0.430 306 2HD ARG 33 3HD ARG 33 1.369 4.815 1.074 307 HE ARG 33 HE ARG 33 -0.777 4.798 2.024 308 1HH1 ARG 33 2HH ARG 33 -0.821 7.815 2.068 309 2HH1 ARG 33 1HH ARG 33 -2.285 8.171 1.179 310 1HH2 ARG 33 2HH ARG 33 -2.565 4.949 -0.067 311 2HH2 ARG 33 1HH ARG 33 -3.275 6.526 -0.023 312 QB ARG 33 QB ARG 33 2.586 6.541 -0.858 313 QG ARG 33 QG ARG 33 1.076 7.383 0.923 314 QD ARG 33 QD ARG 33 0.949 4.982 0.321 315 QH1 ARG 33 QH2 ARG 33 -1.552 7.993 1.623 316 QH2 ARG 33 QH1 ARG 33 -2.919 5.737 -0.045 317 H GLN 34 HN GLN 34 2.296 9.498 -2.377 318 HA GLN 34 HA GLN 34 0.565 11.395 -0.817 319 1HB GLN 34 2HB GLN 34 2.517 12.317 -2.164 320 2HB GLN 34 3HB GLN 34 1.757 11.688 -3.610 321 1HG GLN 34 2HG GLN 34 1.138 13.998 -3.499 322 2HG GLN 34 3HG GLN 34 -0.291 13.116 -2.993 323 1HE2 GLN 34 2HE GLN 34 1.479 15.657 -0.424 324 2HE2 GLN 34 1HE GLN 34 2.057 15.454 -2.004 325 QB GLN 34 QB GLN 34 2.137 12.003 -2.887 326 QG GLN 34 QG GLN 34 0.423 13.557 -3.246 327 QE2 GLN 34 QE2 GLN 34 1.767 15.556 -1.213 328 H ILE 35 HN ILE 35 -0.120 8.696 -1.466 329 HA ILE 35 HA ILE 35 -2.193 9.080 -3.595 330 HB ILE 35 HB ILE 35 -2.084 6.752 -4.108 331 1HG1 ILE 35 2HG ILE 35 -0.722 6.484 -1.419 332 2HG1 ILE 35 3HG ILE 35 -2.246 5.783 -1.929 333 1HG2 ILE 35 3HG ILE 35 -0.046 8.002 -4.810 334 2HG2 ILE 35 1HG ILE 35 0.740 7.518 -3.313 335 3HG2 ILE 35 2HG ILE 35 0.295 6.304 -4.510 336 1HD1 ILE 35 3HD ILE 35 -1.059 4.326 -3.539 337 2HD1 ILE 35 1HD ILE 35 0.479 5.001 -3.000 338 3HD1 ILE 35 2HD ILE 35 -0.501 4.060 -1.893 339 QG1 ILE 35 QG1 ILE 35 -1.484 6.134 -1.674 340 QG2 ILE 35 QG2 ILE 35 0.330 7.275 -4.211 341 QD1 ILE 35 QD1 ILE 35 -0.360 4.462 -2.810 342 H ASP 36 HN ASP 36 -3.984 7.384 -3.245 343 HA ASP 36 HA ASP 36 -5.100 7.753 -0.495 344 1HB ASP 36 2HB ASP 36 -7.274 7.762 -1.611 345 2HB ASP 36 3HB ASP 36 -6.236 8.878 -2.498 346 QB ASP 36 QB ASP 36 -6.755 8.319 -2.054 347 H PHE 37 HN PHE 37 -6.898 5.972 -0.239 348 HA PHE 37 HA PHE 37 -5.956 3.322 -1.223 349 1HB PHE 37 2HB PHE 37 -6.544 4.136 1.668 350 2HB PHE 37 3HB PHE 37 -6.524 2.466 1.139 351 HD1 PHE 37 2HD PHE 37 -4.133 3.167 -0.974 352 HD2 PHE 37 1HD PHE 37 -4.655 3.557 3.224 353 HE1 PHE 37 2HE PHE 37 -1.790 2.656 -0.648 354 HE2 PHE 37 1HE PHE 37 -2.268 3.088 3.548 355 HZ PHE 37 HZ PHE 37 -0.839 2.601 1.617 356 QB PHE 37 QB PHE 37 -6.534 3.302 1.403 357 QR PHE 37 QR PHE 37 -3.212 3.117 1.288 358 CH2 TRP 38 CH2 TRP 38 -11.307 4.084 -9.094 359 H TRP 38 HN TRP 38 -7.606 4.418 -2.575 360 HA TRP 38 HA TRP 38 -10.113 5.072 -2.540 361 1HB TRP 38 2HB TRP 38 -8.626 4.181 -4.458 362 2HB TRP 38 3HB TRP 38 -9.409 2.661 -4.186 363 HD1 TRP 38 HD1 TRP 38 -12.140 5.051 -3.700 364 HE1 TRP 38 HE1 TRP 38 -13.407 5.521 -5.819 365 HE3 TRP 38 HE3 TRP 38 -8.939 2.986 -6.908 366 HZ2 TRP 38 HZ2 TRP 38 -13.102 5.125 -8.572 367 HZ3 TRP 38 HZ3 TRP 38 -9.460 3.026 -9.333 368 HH2 TRP 38 HH2 TRP 38 -11.507 4.113 -10.156 369 QB TRP 38 QB TRP 38 -9.018 3.421 -4.322 370 H LYS 39 HN LYS 39 -9.551 1.591 -2.645 371 HA LYS 39 HA LYS 39 -11.810 1.265 -0.709 372 1HB LYS 39 2HB LYS 39 -11.720 -0.411 -3.225 373 2HB LYS 39 3HB LYS 39 -12.995 -0.358 -2.024 374 1HG LYS 39 2HG LYS 39 -14.026 1.118 -3.416 375 2HG LYS 39 3HG LYS 39 -12.865 2.293 -2.827 376 1HD LYS 39 2HD LYS 39 -12.805 2.286 -5.268 377 2HD LYS 39 3HD LYS 39 -11.301 1.605 -4.663 378 1HE LYS 39 2HE LYS 39 -12.954 -0.633 -4.830 379 2HE LYS 39 3HE LYS 39 -13.450 0.317 -6.220 380 1HZ LYS 39 2HZ LYS 39 -10.704 0.443 -6.187 381 2HZ LYS 39 3HZ LYS 39 -11.050 -1.170 -5.811 382 3HZ LYS 39 1HZ LYS 39 -11.667 -0.470 -7.247 383 QB LYS 39 QB LYS 39 -12.357 -0.384 -2.625 384 QG LYS 39 QG LYS 39 -13.446 1.705 -3.122 385 QD LYS 39 QD LYS 39 -12.053 1.945 -4.965 386 QE LYS 39 QE LYS 39 -13.203 -0.158 -5.524 387 QZ LYS 39 QZ LYS 39 -11.140 -0.399 -6.416 388 HA PRO 40 HA PRO 40 -11.700 0.648 1.145 389 1HB PRO 40 2HB PRO 40 -12.454 -1.564 2.706 390 2HB PRO 40 3HB PRO 40 -13.518 -0.650 1.639 391 1HG PRO 40 2HG PRO 40 -12.807 -3.350 1.211 392 2HG PRO 40 3HG PRO 40 -13.436 -2.270 -0.042 393 1HD PRO 40 2HD PRO 40 -10.553 -2.964 0.590 394 2HD PRO 40 3HD PRO 40 -11.269 -2.783 -1.006 395 QB PRO 40 QB PRO 40 -12.987 -1.107 2.172 396 QG PRO 40 QG PRO 40 -13.121 -2.810 0.585 397 QD PRO 40 QD PRO 40 -10.911 -2.873 -0.208 398 H ASP 41 HN ASP 41 -10.496 1.243 2.913 399 HA ASP 41 HA ASP 41 -8.489 -0.393 3.891 400 1HB ASP 41 2HB ASP 41 -7.120 0.478 2.176 401 2HB ASP 41 3HB ASP 41 -7.972 2.021 2.198 402 QB ASP 41 QB ASP 41 -7.546 1.250 2.187 403 H SER 42 HN SER 42 -8.190 0.080 5.567 404 HA SER 42 HA SER 42 -8.762 2.597 6.944 405 1HB SER 42 2HB SER 42 -9.393 -0.191 8.056 406 2HB SER 42 3HB SER 42 -9.758 1.345 8.861 407 HG SER 42 HG SER 42 -10.577 1.488 6.326 408 QB SER 42 QB SER 42 -9.575 0.576 8.459 409 H VAL 43 HN VAL 43 -6.327 2.043 6.035 410 HA VAL 43 HA VAL 43 -4.189 0.977 6.759 411 HB VAL 43 HB VAL 43 -4.764 3.784 7.762 412 1HG1 VAL 43 2HG VAL 43 -2.053 2.398 7.597 413 2HG1 VAL 43 3HG VAL 43 -2.304 4.110 7.920 414 3HG1 VAL 43 1HG VAL 43 -2.851 2.911 9.078 415 1HG2 VAL 43 2HG VAL 43 -3.209 2.672 5.407 416 2HG2 VAL 43 3HG VAL 43 -4.807 3.395 5.335 417 3HG2 VAL 43 1HG VAL 43 -3.422 4.384 5.772 418 QG1 VAL 43 QG1 VAL 43 -2.403 3.140 8.198 419 QG2 VAL 43 QG2 VAL 43 -3.812 3.483 5.505 420 QQG VAL 43 QQG VAL 43 -3.108 3.311 6.852 421 H THR 44 HN THR 44 -5.455 2.745 9.537 422 HA THR 44 HA THR 44 -3.894 1.299 11.468 423 HB THR 44 HB THR 44 -5.478 2.542 13.087 424 HG1 THR 44 1HG THR 44 -7.230 3.321 12.139 425 1HG2 THR 44 1HG THR 44 -4.383 4.226 10.774 426 2HG2 THR 44 2HG THR 44 -4.735 4.806 12.399 427 3HG2 THR 44 3HG THR 44 -3.404 3.685 12.133 428 QG2 THR 44 QG2 THR 44 -4.174 4.239 11.769 429 H GLN 45 HN GLN 45 -7.366 1.295 10.764 430 HA GLN 45 HA GLN 45 -7.668 -1.103 12.495 431 1HB GLN 45 2HB GLN 45 -9.685 0.734 11.170 432 2HB GLN 45 3HB GLN 45 -10.147 -0.737 12.014 433 1HG GLN 45 2HG GLN 45 -9.091 0.088 14.084 434 2HG GLN 45 3HG GLN 45 -8.543 1.537 13.248 435 1HE2 GLN 45 2HE GLN 45 -12.134 1.647 14.897 436 2HE2 GLN 45 1HE GLN 45 -10.883 0.598 15.358 437 QB GLN 45 QB GLN 45 -9.916 -0.002 11.591 438 QG GLN 45 QG GLN 45 -8.817 0.813 13.667 439 QE2 GLN 45 QE2 GLN 45 -11.508 1.123 15.127 440 H ILE 46 HN ILE 46 -6.181 -1.752 10.456 441 HA ILE 46 HA ILE 46 -8.008 -3.257 8.613 442 HB ILE 46 HB ILE 46 -5.709 -1.558 8.051 443 1HG1 ILE 46 2HG ILE 46 -7.607 -3.155 6.296 444 2HG1 ILE 46 3HG ILE 46 -7.845 -1.503 6.848 445 1HG2 ILE 46 3HG ILE 46 -4.393 -3.687 8.142 446 2HG2 ILE 46 1HG ILE 46 -5.479 -4.387 6.944 447 3HG2 ILE 46 2HG ILE 46 -4.457 -3.020 6.521 448 1HD1 ILE 46 1HD ILE 46 -5.755 -0.836 5.640 449 2HD1 ILE 46 2HD ILE 46 -5.614 -2.478 5.023 450 3HD1 ILE 46 3HD ILE 46 -6.976 -1.482 4.553 451 QG1 ILE 46 QG1 ILE 46 -7.726 -2.329 6.572 452 QG2 ILE 46 QG2 ILE 46 -4.776 -3.698 7.202 453 QD1 ILE 46 QD1 ILE 46 -6.115 -1.599 5.072 454 H LYS 47 HN LYS 47 -7.067 -5.440 8.046 455 HA LYS 47 HA LYS 47 -5.241 -6.470 10.149 456 1HB LYS 47 2HB LYS 47 -8.036 -7.451 9.519 457 2HB LYS 47 3HB LYS 47 -6.842 -8.540 10.207 458 1HG LYS 47 2HG LYS 47 -7.459 -5.850 11.469 459 2HG LYS 47 3HG LYS 47 -8.375 -7.298 11.867 460 1HD LYS 47 2HD LYS 47 -6.325 -8.438 12.612 461 2HD LYS 47 3HD LYS 47 -5.340 -7.087 12.070 462 1HE LYS 47 2HE LYS 47 -5.724 -7.036 14.522 463 2HE LYS 47 3HE LYS 47 -6.353 -5.607 13.707 464 1HZ LYS 47 1HZ LYS 47 -8.364 -7.560 13.720 465 2HZ LYS 47 2HZ LYS 47 -7.751 -7.451 15.302 466 3HZ LYS 47 3HZ LYS 47 -8.349 -6.059 14.527 467 QB LYS 47 QB LYS 47 -7.439 -7.995 9.864 468 QG LYS 47 QG LYS 47 -7.917 -6.574 11.668 469 QD LYS 47 QD LYS 47 -5.832 -7.763 12.341 470 QE LYS 47 QE LYS 47 -6.039 -6.321 14.114 471 QZ LYS 47 QZ LYS 47 -8.155 -7.024 14.516 472 HA PRO 48 HA PRO 48 -3.662 -9.429 7.020 473 1HB PRO 48 2HB PRO 48 -4.535 -11.338 9.170 474 2HB PRO 48 3HB PRO 48 -3.045 -11.330 8.219 475 1HG PRO 48 2HG PRO 48 -3.101 -10.408 10.788 476 2HG PRO 48 3HG PRO 48 -2.044 -9.687 9.573 477 1HD PRO 48 2HD PRO 48 -4.524 -8.577 10.780 478 2HD PRO 48 3HD PRO 48 -3.170 -7.730 10.005 479 QB PRO 48 QB PRO 48 -3.790 -11.334 8.695 480 QG PRO 48 QG PRO 48 -2.573 -10.048 10.181 481 QD PRO 48 QD PRO 48 -3.847 -8.154 10.393 482 H HIS 49 HN HIS 49 -4.623 -11.111 5.736 483 HA HIS 49 HA HIS 49 -6.389 -12.184 4.593 484 1HB HIS 49 2HB HIS 49 -8.249 -11.594 6.883 485 2HB HIS 49 3HB HIS 49 -8.254 -12.956 5.801 486 HD1 HIS 49 HD1 HIS 49 -5.781 -14.305 6.117 487 HD2 HIS 49 HD2 HIS 49 -7.377 -12.406 9.397 488 HE1 HIS 49 HE1 HIS 49 -4.708 -15.352 8.140 489 QB HIS 49 QB HIS 49 -8.252 -12.274 6.342 490 H SER 50 HN SER 50 -5.849 -9.410 4.358 491 HA SER 50 HA SER 50 -8.538 -8.439 3.515 492 1HB SER 50 2HB SER 50 -7.979 -7.239 5.597 493 2HB SER 50 3HB SER 50 -6.419 -6.753 4.903 494 HG SER 50 HG SER 50 -8.570 -5.427 4.584 495 QB SER 50 QB SER 50 -7.199 -6.997 5.250 496 H THR 51 HN THR 51 -8.435 -6.779 1.845 497 HA THR 51 HA THR 51 -5.914 -6.514 0.351 498 HB THR 51 HB THR 51 -7.182 -7.352 -1.782 499 HG1 THR 51 1HG THR 51 -9.137 -7.310 -0.238 500 1HG2 THR 51 2HG THR 51 -5.458 -8.803 -0.526 501 2HG2 THR 51 3HG THR 51 -6.800 -9.446 0.406 502 3HG2 THR 51 1HG THR 51 -6.729 -9.717 -1.329 503 QG2 THR 51 QG2 THR 51 -6.329 -9.322 -0.483 504 H VAL 52 HN VAL 52 -5.829 -4.489 -0.572 505 HA VAL 52 HA VAL 52 -8.399 -3.115 -1.193 506 HB VAL 52 HB VAL 52 -7.588 -1.072 -0.091 507 1HG1 VAL 52 2HG VAL 52 -8.737 -2.865 1.287 508 2HG1 VAL 52 3HG VAL 52 -7.151 -3.438 1.764 509 3HG1 VAL 52 1HG VAL 52 -7.673 -1.825 2.223 510 1HG2 VAL 52 1HG VAL 52 -5.164 -1.472 -0.490 511 2HG2 VAL 52 2HG VAL 52 -5.517 -1.068 1.190 512 3HG2 VAL 52 3HG VAL 52 -5.204 -2.742 0.728 513 QG1 VAL 52 QG1 VAL 52 -7.854 -2.709 1.758 514 QG2 VAL 52 QG2 VAL 52 -5.295 -1.761 0.476 515 QQG VAL 52 QQG VAL 52 -6.574 -2.235 1.117 516 H ASP 53 HN ASP 53 -7.973 -1.039 -2.487 517 HA ASP 53 HA ASP 53 -5.631 -1.346 -4.324 518 1HB ASP 53 2HB ASP 53 -7.075 -0.706 -6.216 519 2HB ASP 53 3HB ASP 53 -7.683 -2.173 -5.460 520 QB ASP 53 QB ASP 53 -7.380 -1.439 -5.838 521 H PHE 54 HN PHE 54 -5.183 0.628 -5.575 522 HA PHE 54 HA PHE 54 -6.007 3.126 -4.111 523 1HB PHE 54 2HB PHE 54 -3.287 2.963 -5.384 524 2HB PHE 54 3HB PHE 54 -3.815 3.928 -4.016 525 HD1 PHE 54 2HD PHE 54 -5.037 1.748 -2.288 526 HD2 PHE 54 1HD PHE 54 -1.407 1.850 -4.501 527 HE1 PHE 54 2HE PHE 54 -4.050 0.152 -0.732 528 HE2 PHE 54 1HE PHE 54 -0.391 0.306 -2.892 529 HZ PHE 54 HZ PHE 54 -1.721 -0.574 -1.019 530 QB PHE 54 QB PHE 54 -3.551 3.446 -4.700 531 QR PHE 54 QR PHE 54 -2.721 1.014 -2.603 532 NH1 ARG 55 NH1 ARG 55 -9.093 8.303 -3.901 533 NH2 ARG 55 NH2 ARG 55 -8.805 10.086 -5.310 534 H ARG 55 HN ARG 55 -5.179 5.100 -5.632 535 HA ARG 55 HA ARG 55 -6.220 4.431 -8.367 536 1HB ARG 55 2HB ARG 55 -6.101 7.059 -6.878 537 2HB ARG 55 3HB ARG 55 -6.654 6.896 -8.533 538 1HG ARG 55 2HG ARG 55 -8.479 5.439 -7.841 539 2HG ARG 55 3HG ARG 55 -7.901 5.445 -6.173 540 1HD ARG 55 2HD ARG 55 -8.803 7.894 -7.741 541 2HD ARG 55 3HD ARG 55 -9.729 7.084 -6.475 542 HE ARG 55 HE ARG 55 -7.009 7.941 -5.675 543 1HH1 ARG 55 2HH ARG 55 -8.904 7.330 -3.719 544 2HH1 ARG 55 1HH ARG 55 -9.621 8.835 -3.247 545 1HH2 ARG 55 2HH ARG 55 -8.438 10.423 -6.180 546 2HH2 ARG 55 1HH ARG 55 -9.303 10.709 -4.708 547 QB ARG 55 QB ARG 55 -6.378 6.977 -7.705 548 QG ARG 55 QG ARG 55 -8.190 5.442 -7.007 549 QD ARG 55 QD ARG 55 -9.266 7.489 -7.108 550 QH1 ARG 55 QH1 ARG 55 -9.262 8.083 -3.483 551 QH2 ARG 55 QH2 ARG 55 -8.870 10.567 -5.443 552 H VAL 56 HN VAL 56 -5.238 5.457 -10.187 553 HA VAL 56 HA VAL 56 -2.497 5.333 -10.379 554 HB VAL 56 HB VAL 56 -2.726 6.199 -12.532 555 1HG1 VAL 56 3HG VAL 56 -4.359 4.334 -12.187 556 2HG1 VAL 56 1HG VAL 56 -5.607 5.523 -11.857 557 3HG1 VAL 56 2HG VAL 56 -4.864 5.449 -13.444 558 1HG2 VAL 56 2HG VAL 56 -4.999 7.948 -11.544 559 2HG2 VAL 56 3HG VAL 56 -3.374 8.491 -11.953 560 3HG2 VAL 56 1HG VAL 56 -4.435 7.874 -13.211 561 QG1 VAL 56 QG1 VAL 56 -4.944 5.102 -12.496 562 QG2 VAL 56 QG2 VAL 56 -4.269 8.105 -12.236 563 QQG VAL 56 QQG VAL 56 -4.606 6.603 -12.366 564 H LYS 57 HN LYS 57 -0.870 6.890 -10.623 565 HA LYS 57 HA LYS 57 -1.203 9.623 -9.727 566 1HB LYS 57 2HB LYS 57 -1.093 7.985 -7.635 567 2HB LYS 57 3HB LYS 57 0.614 7.872 -8.047 568 1HG LYS 57 2HG LYS 57 0.267 9.619 -6.375 569 2HG LYS 57 3HG LYS 57 0.814 10.320 -7.895 570 1HD LYS 57 2HD LYS 57 -1.302 11.233 -8.394 571 2HD LYS 57 3HD LYS 57 -2.143 10.107 -7.333 572 1HE LYS 57 2HE LYS 57 -1.822 12.567 -6.534 573 2HE LYS 57 3HE LYS 57 -1.510 11.268 -5.395 574 1HZ LYS 57 1HZ LYS 57 0.842 11.769 -6.859 575 2HZ LYS 57 2HZ LYS 57 0.263 13.243 -6.305 576 3HZ LYS 57 3HZ LYS 57 0.573 11.962 -5.210 577 QB LYS 57 QB LYS 57 -0.239 7.928 -7.841 578 QG LYS 57 QG LYS 57 0.540 9.969 -7.135 579 QD LYS 57 QD LYS 57 -1.723 10.671 -7.863 580 QE LYS 57 QE LYS 57 -1.667 11.918 -5.965 581 QZ LYS 57 QZ LYS 57 0.560 12.325 -6.125 582 H ALA 58 HN ALA 58 1.146 10.640 -9.760 583 HA ALA 58 HA ALA 58 2.900 9.045 -11.596 584 1HB ALA 58 3HB ALA 58 2.132 11.965 -11.925 585 2HB ALA 58 1HB ALA 58 3.296 11.097 -12.923 586 3HB ALA 58 2HB ALA 58 1.602 10.630 -12.940 587 QB ALA 58 QB ALA 58 2.343 11.231 -12.596 588 H GLU 59 HN GLU 59 2.991 12.248 -10.232 589 HA GLU 59 HA GLU 59 5.602 12.753 -9.805 590 1HB GLU 59 2HB GLU 59 3.822 13.234 -7.432 591 2HB GLU 59 3HB GLU 59 4.960 14.326 -8.205 592 1HG GLU 59 2HG GLU 59 2.976 15.253 -8.983 593 2HG GLU 59 3HG GLU 59 3.224 14.071 -10.261 594 QB GLU 59 QB GLU 59 4.392 13.779 -7.818 595 QG GLU 59 QG GLU 59 3.100 14.662 -9.621 596 H ASP 60 HN ASP 60 3.700 10.726 -7.596 597 HA ASP 60 HA ASP 60 6.235 10.009 -6.214 598 1HB ASP 60 2HB ASP 60 4.660 9.210 -4.384 599 2HB ASP 60 3HB ASP 60 4.705 10.935 -4.678 600 QB ASP 60 QB ASP 60 4.683 10.072 -4.531 601 H ILE 61 HN ILE 61 5.171 8.675 -8.750 602 HA ILE 61 HA ILE 61 4.404 5.992 -8.027 603 HB ILE 61 HB ILE 61 5.808 7.068 -10.513 604 1HG1 ILE 61 2HG ILE 61 2.991 6.024 -10.051 605 2HG1 ILE 61 3HG ILE 61 3.431 7.719 -10.145 606 1HG2 ILE 61 1HG ILE 61 6.416 4.653 -10.126 607 2HG2 ILE 61 2HG ILE 61 4.702 4.265 -10.049 608 3HG2 ILE 61 3HG ILE 61 5.407 4.860 -11.545 609 1HD1 ILE 61 3HD ILE 61 4.297 7.363 -12.461 610 2HD1 ILE 61 1HD ILE 61 3.826 5.668 -12.374 611 3HD1 ILE 61 2HD ILE 61 2.601 6.922 -12.338 612 QG1 ILE 61 QG1 ILE 61 3.210 6.871 -10.098 613 QG2 ILE 61 QG2 ILE 61 5.508 4.593 -10.573 614 QD1 ILE 61 QD1 ILE 61 3.574 6.651 -12.391 615 H LEU 62 HN LEU 62 7.490 7.554 -8.658 616 HA LEU 62 HA LEU 62 9.024 5.125 -8.116 617 1HB LEU 62 2HB LEU 62 9.804 8.026 -8.533 618 2HB LEU 62 3HB LEU 62 10.972 6.726 -8.356 619 HG LEU 62 HG LEU 62 8.775 6.509 -10.425 620 1HD1 LEU 62 1HD LEU 62 11.465 7.885 -10.779 621 2HD1 LEU 62 2HD LEU 62 10.328 7.521 -12.072 622 3HD1 LEU 62 3HD LEU 62 9.897 8.683 -10.823 623 1HD2 LEU 62 1HD LEU 62 10.167 4.526 -9.856 624 2HD2 LEU 62 2HD LEU 62 10.470 5.057 -11.504 625 3HD2 LEU 62 3HD LEU 62 11.624 5.442 -10.228 626 QB LEU 62 QB LEU 62 10.389 7.376 -8.445 627 QD1 LEU 62 QD1 LEU 62 10.564 8.030 -11.224 628 QD2 LEU 62 QD2 LEU 62 10.754 5.008 -10.529 629 QQD LEU 62 QQD LEU 62 10.659 6.519 -10.877 630 H ALA 63 HN ALA 63 7.329 6.029 -6.027 631 HA ALA 63 HA ALA 63 9.277 6.189 -3.832 632 1HB ALA 63 1HB ALA 63 8.112 8.362 -4.294 633 2HB ALA 63 2HB ALA 63 6.566 7.543 -4.132 634 3HB ALA 63 3HB ALA 63 7.625 7.696 -2.734 635 QB ALA 63 QB ALA 63 7.435 7.867 -3.720 636 H VAL 64 HN VAL 64 5.973 5.677 -4.792 637 HA VAL 64 HA VAL 64 5.393 3.796 -2.658 638 HB VAL 64 HB VAL 64 3.951 4.576 -5.239 639 1HG1 VAL 64 3HG VAL 64 3.281 2.290 -4.570 640 2HG1 VAL 64 1HG VAL 64 2.878 2.868 -2.957 641 3HG1 VAL 64 2HG VAL 64 1.966 3.429 -4.350 642 1HG2 VAL 64 1HG VAL 64 4.120 6.352 -3.539 643 2HG2 VAL 64 2HG VAL 64 2.456 5.812 -3.707 644 3HG2 VAL 64 3HG VAL 64 3.419 5.281 -2.329 645 QG1 VAL 64 QG1 VAL 64 2.708 2.862 -3.959 646 QG2 VAL 64 QG2 VAL 64 3.331 5.816 -3.192 647 QQG VAL 64 QQG VAL 64 3.020 4.338 -3.575 648 H GLU 65 HN GLU 65 6.022 3.607 -6.175 649 HA GLU 65 HA GLU 65 5.862 0.716 -6.243 650 1HB GLU 65 2HB GLU 65 7.190 2.732 -8.095 651 2HB GLU 65 3HB GLU 65 7.242 1.007 -8.394 652 1HG GLU 65 2HG GLU 65 4.671 1.049 -8.242 653 2HG GLU 65 3HG GLU 65 4.803 2.799 -8.348 654 QB GLU 65 QB GLU 65 7.216 1.869 -8.244 655 QG GLU 65 QG GLU 65 4.737 1.924 -8.294 656 H ASP 66 HN ASP 66 8.381 3.096 -5.648 657 HA ASP 66 HA ASP 66 10.624 1.302 -5.534 658 1HB ASP 66 2HB ASP 66 10.768 3.807 -5.675 659 2HB ASP 66 3HB ASP 66 10.146 3.921 -4.044 660 QB ASP 66 QB ASP 66 10.458 3.865 -4.859 661 H PHE 67 HN PHE 67 8.973 2.900 -2.873 662 HA PHE 67 HA PHE 67 9.873 1.523 -0.651 663 1HB PHE 67 2HB PHE 67 8.214 3.410 -0.626 664 2HB PHE 67 3HB PHE 67 6.979 2.294 -1.173 665 HD1 PHE 67 1HD PHE 67 6.191 0.454 0.289 666 HD2 PHE 67 2HD PHE 67 9.062 3.277 1.683 667 HE1 PHE 67 1HE PHE 67 5.851 -0.335 2.582 668 HE2 PHE 67 2HE PHE 67 8.714 2.474 3.981 669 HZ PHE 67 HZ PHE 67 7.106 0.671 4.438 670 QB PHE 67 QB PHE 67 7.597 2.852 -0.899 671 QR PHE 67 QR PHE 67 7.455 1.468 2.134 672 H LEU 68 HN LEU 68 6.945 0.633 -2.426 673 HA LEU 68 HA LEU 68 6.425 -1.772 -1.021 674 1HB LEU 68 2HB LEU 68 5.802 -1.025 -3.898 675 2HB LEU 68 3HB LEU 68 5.054 -2.350 -3.020 676 HG LEU 68 HG LEU 68 4.943 0.549 -2.095 677 1HD1 LEU 68 1HD LEU 68 3.764 0.222 -4.254 678 2HD1 LEU 68 2HD LEU 68 2.859 -1.108 -3.550 679 3HD1 LEU 68 3HD LEU 68 2.623 0.526 -2.944 680 1HD2 LEU 68 3HD LEU 68 3.395 -1.923 -1.237 681 2HD2 LEU 68 1HD LEU 68 4.647 -1.124 -0.295 682 3HD2 LEU 68 2HD LEU 68 3.139 -0.291 -0.632 683 QB LEU 68 QB LEU 68 5.427 -1.687 -3.458 684 QD1 LEU 68 QD1 LEU 68 3.082 -0.120 -3.583 685 QD2 LEU 68 QD2 LEU 68 3.727 -1.113 -0.721 686 QQD LEU 68 QQD LEU 68 3.404 -0.616 -2.152 687 H GLU 69 HN GLU 69 8.631 -1.112 -3.661 688 HA GLU 69 HA GLU 69 9.093 -3.955 -4.206 689 1HB GLU 69 2HB GLU 69 9.376 -1.849 -5.756 690 2HB GLU 69 3HB GLU 69 10.946 -1.700 -4.996 691 1HG GLU 69 2HG GLU 69 11.751 -3.647 -5.970 692 2HG GLU 69 3HG GLU 69 10.156 -4.382 -6.088 693 QB GLU 69 QB GLU 69 10.161 -1.774 -5.375 694 QG GLU 69 QG GLU 69 10.953 -4.015 -6.029 695 H GLN 70 HN GLN 70 11.127 -1.359 -2.913 696 HA GLN 70 HA GLN 70 13.378 -2.591 -2.053 697 1HB GLN 70 2HB GLN 70 11.668 -0.631 -0.499 698 2HB GLN 70 3HB GLN 70 13.261 -1.127 0.051 699 1HG GLN 70 2HG GLN 70 14.212 -0.346 -2.149 700 2HG GLN 70 3HG GLN 70 12.618 0.269 -2.572 701 1HE2 GLN 70 2HE GLN 70 13.402 3.295 -0.922 702 2HE2 GLN 70 1HE GLN 70 12.758 2.531 -2.292 703 QB GLN 70 QB GLN 70 12.465 -0.879 -0.224 704 QG GLN 70 QG GLN 70 13.415 -0.039 -2.360 705 QE2 GLN 70 QE2 GLN 70 13.081 2.913 -1.607 706 H ASN 71 HN ASN 71 10.338 -2.759 -0.191 707 HA ASN 71 HA ASN 71 11.621 -4.816 1.554 708 1HB ASN 71 2HB ASN 71 9.496 -4.355 2.969 709 2HB ASN 71 3HB ASN 71 10.716 -3.090 2.896 710 1HD2 ASN 71 2HD ASN 71 8.313 -0.844 1.706 711 2HD2 ASN 71 1HD ASN 71 9.547 -1.147 2.822 712 QB ASN 71 QB ASN 71 10.106 -3.723 2.932 713 QD2 ASN 71 QD2 ASN 71 8.930 -0.995 2.264 714 H GLU 72 HN GLU 72 10.826 -5.614 -1.048 715 HA GLU 72 HA GLU 72 9.249 -7.016 -2.193 716 1HB GLU 72 2HB GLU 72 9.434 -9.312 -1.174 717 2HB GLU 72 3HB GLU 72 10.984 -8.498 -1.327 718 1HG GLU 72 2HG GLU 72 10.948 -7.883 1.043 719 2HG GLU 72 3HG GLU 72 9.313 -8.505 1.222 720 QB GLU 72 QB GLU 72 10.209 -8.905 -1.251 721 QG GLU 72 QG GLU 72 10.131 -8.194 1.132 722 H LEU 73 HN LEU 73 7.603 -5.280 -0.900 723 HA LEU 73 HA LEU 73 5.821 -6.682 0.910 724 1HB LEU 73 2HB LEU 73 6.227 -4.002 0.193 725 2HB LEU 73 3HB LEU 73 4.635 -4.369 -0.458 726 HG LEU 73 HG LEU 73 4.112 -5.435 1.826 727 1HD1 LEU 73 3HD LEU 73 6.528 -5.567 2.511 728 2HD1 LEU 73 1HD LEU 73 6.561 -3.815 2.630 729 3HD1 LEU 73 2HD LEU 73 5.527 -4.758 3.697 730 1HD2 LEU 73 3HD LEU 73 3.226 -3.227 1.114 731 2HD2 LEU 73 1HD LEU 73 3.580 -3.241 2.842 732 3HD2 LEU 73 2HD LEU 73 4.686 -2.453 1.722 733 QB LEU 73 QB LEU 73 5.431 -4.185 -0.133 734 QD1 LEU 73 QD1 LEU 73 6.206 -4.713 2.946 735 QD2 LEU 73 QD2 LEU 73 3.831 -2.974 1.893 736 QQD LEU 73 QQD LEU 73 5.018 -3.843 2.420 737 H GLN 74 HN GLN 74 3.482 -6.962 0.415 738 HA GLN 74 HA GLN 74 3.266 -8.446 -2.110 739 1HB GLN 74 2HB GLN 74 1.411 -8.041 0.258 740 2HB GLN 74 3HB GLN 74 0.873 -8.846 -1.199 741 1HG GLN 74 2HG GLN 74 1.907 -10.233 0.834 742 2HG GLN 74 3HG GLN 74 2.160 -10.723 -0.834 743 1HE2 GLN 74 2HE GLN 74 5.334 -9.275 1.298 744 2HE2 GLN 74 1HE GLN 74 3.756 -9.119 1.946 745 QB GLN 74 QB GLN 74 1.142 -8.444 -0.470 746 QG GLN 74 QG GLN 74 2.034 -10.478 0.000 747 QE2 GLN 74 QE2 GLN 74 4.545 -9.196 1.622 748 OH TYR 75 OH TYR 75 7.930 -4.748 -6.560 749 H TYR 75 HN TYR 75 3.661 -6.258 -3.184 750 HA TYR 75 HA TYR 75 1.074 -4.812 -3.534 751 1HB TYR 75 2HB TYR 75 2.348 -3.033 -4.629 752 2HB TYR 75 3HB TYR 75 3.065 -3.383 -3.063 753 HD1 TYR 75 HD1 TYR 75 5.169 -4.842 -2.994 754 HD2 TYR 75 HD2 TYR 75 3.649 -3.248 -6.633 755 HE1 TYR 75 HE1 TYR 75 7.309 -5.278 -4.075 756 HE2 TYR 75 HE2 TYR 75 5.824 -3.642 -7.704 757 HH TYR 75 HH TYR 75 8.246 -3.936 -7.004 758 QB TYR 75 QB TYR 75 2.706 -3.207 -3.846 759 QR TYR 75 QR TYR 75 5.488 -4.253 -5.352 760 H GLU 76 HN GLU 76 0.428 -4.302 -5.714 761 HA GLU 76 HA GLU 76 1.543 -5.905 -7.899 762 1HB GLU 76 2HB GLU 76 0.103 -7.501 -6.707 763 2HB GLU 76 3HB GLU 76 -1.230 -6.371 -6.735 764 1HG GLU 76 2HG GLU 76 -0.209 -6.934 -9.443 765 2HG GLU 76 3HG GLU 76 -0.720 -8.387 -8.612 766 QB GLU 76 QB GLU 76 -0.564 -6.935 -6.720 767 QG GLU 76 QG GLU 76 -0.464 -7.660 -9.028 768 H VAL 77 HN VAL 77 0.298 -5.359 -9.937 769 HA VAL 77 HA VAL 77 -0.756 -2.561 -9.849 770 HB VAL 77 HB VAL 77 0.774 -3.838 -12.140 771 1HG1 VAL 77 3HG VAL 77 -0.714 -1.930 -12.715 772 2HG1 VAL 77 1HG VAL 77 0.100 -0.943 -11.505 773 3HG1 VAL 77 2HG VAL 77 0.985 -1.509 -12.922 774 1HG2 VAL 77 3HG VAL 77 1.816 -1.974 -9.982 775 2HG2 VAL 77 1HG VAL 77 2.263 -3.667 -10.173 776 3HG2 VAL 77 2HG VAL 77 2.716 -2.490 -11.401 777 QG1 VAL 77 QG1 VAL 77 0.124 -1.461 -12.381 778 QG2 VAL 77 QG2 VAL 77 2.265 -2.710 -10.519 779 QQG VAL 77 QQG VAL 77 1.195 -2.086 -11.450 780 H LEU 78 HN LEU 78 -2.594 -4.195 -9.438 781 HA LEU 78 HA LEU 78 -4.230 -5.723 -10.349 782 1HB LEU 78 2HB LEU 78 -4.813 -2.813 -10.825 783 2HB LEU 78 3HB LEU 78 -6.044 -4.046 -11.074 784 HG LEU 78 HG LEU 78 -4.466 -3.795 -8.492 785 1HD1 LEU 78 3HD LEU 78 -7.192 -2.646 -9.187 786 2HD1 LEU 78 1HD LEU 78 -6.466 -2.656 -7.582 787 3HD1 LEU 78 2HD LEU 78 -5.726 -1.725 -8.871 788 1HD2 LEU 78 3HD LEU 78 -7.076 -5.191 -9.217 789 2HD2 LEU 78 1HD LEU 78 -5.544 -5.989 -8.876 790 3HD2 LEU 78 2HD LEU 78 -6.389 -5.124 -7.603 791 QB LEU 78 QB LEU 78 -5.428 -3.430 -10.949 792 QD1 LEU 78 QD1 LEU 78 -6.462 -2.342 -8.547 793 QD2 LEU 78 QD2 LEU 78 -6.336 -5.435 -8.565 794 QQD LEU 78 QQD LEU 78 -6.398 -3.889 -8.556 795 H ILE 79 HN ILE 79 -3.904 -3.265 -12.944 796 HA ILE 79 HA ILE 79 -4.835 -5.333 -14.796 797 HB ILE 79 HB ILE 79 -4.788 -3.374 -16.366 798 1HG1 ILE 79 2HG ILE 79 -4.250 -1.681 -13.930 799 2HG1 ILE 79 3HG ILE 79 -2.955 -2.181 -15.010 800 1HG2 ILE 79 1HG ILE 79 -6.280 -3.013 -13.748 801 2HG2 ILE 79 2HG ILE 79 -6.727 -2.253 -15.273 802 3HG2 ILE 79 3HG ILE 79 -6.817 -4.000 -15.101 803 1HD1 ILE 79 3HD ILE 79 -5.441 -0.638 -15.844 804 2HD1 ILE 79 1HD ILE 79 -3.836 0.043 -15.635 805 3HD1 ILE 79 2HD ILE 79 -4.130 -1.124 -16.915 806 QG1 ILE 79 QG1 ILE 79 -3.602 -1.930 -14.470 807 QG2 ILE 79 QG2 ILE 79 -6.608 -3.089 -14.707 808 QD1 ILE 79 QD1 ILE 79 -4.469 -0.573 -16.132 809 H ASN 80 HN ASN 80 -2.299 -5.854 -13.667 810 HA ASN 80 HA ASN 80 -0.575 -5.633 -16.114 811 1HB ASN 80 2HB ASN 80 0.094 -4.089 -14.186 812 2HB ASN 80 3HB ASN 80 0.456 -5.541 -13.269 813 1HD2 ASN 80 2HD ASN 80 2.946 -6.045 -16.262 814 2HD2 ASN 80 1HD ASN 80 1.378 -6.681 -16.145 815 QB ASN 80 QB ASN 80 0.275 -4.815 -13.727 816 QD2 ASN 80 QD2 ASN 80 2.162 -6.364 -16.203 817 H ASN 81 HN ASN 81 -1.037 -7.725 -16.781 818 HA ASN 81 HA ASN 81 -0.074 -9.887 -14.954 819 1HB ASN 81 2HB ASN 81 -2.695 -9.589 -15.717 820 2HB ASN 81 3HB ASN 81 -2.091 -10.626 -17.006 821 1HD2 ASN 81 ASN 81 -1.177 -13.256 -14.652 822 2HD2 ASN 81 1HD ASN 81 -0.497 -12.435 -15.980 823 QB ASN 81 QB ASN 81 -2.393 -10.107 -16.361 824 QD2 ASN 81 QD2 ASN 81 -0.837 -12.845 -15.315 Start of MODEL 3 Raw file had 824 H/Q atoms Start of MODEL 3 1 1H HIS 1 HN3 HIS 1 5.996 5.680 -30.819 2 2H HIS 1 HN1 HIS 1 7.465 5.659 -31.584 3 3H HIS 1 HN2 HIS 1 6.098 5.211 -32.403 4 HA HIS 1 HA HIS 1 6.315 3.120 -31.794 5 1HB HIS 1 2HB HIS 1 8.377 2.516 -30.455 6 2HB HIS 1 3HB HIS 1 8.688 3.385 -31.931 7 HD1 HIS 1 HD1 HIS 1 9.946 5.518 -31.701 8 HD2 HIS 1 HD2 HIS 1 8.631 4.210 -28.016 9 HE1 HIS 1 HE1 HIS 1 10.863 7.123 -29.998 10 QB HIS 1 QB HIS 1 8.533 2.950 -31.193 11 H HIS 2 HN HIS 2 6.684 1.734 -29.547 12 HA HIS 2 HA HIS 2 4.898 3.092 -27.558 13 1HB HIS 2 2HB HIS 2 5.244 0.136 -28.132 14 2HB HIS 2 3HB HIS 2 4.142 0.821 -26.966 15 HD1 HIS 2 HD1 HIS 2 3.035 -0.864 -29.142 16 HD2 HIS 2 HD2 HIS 2 3.329 3.215 -29.578 17 HE1 HIS 2 HE1 HIS 2 1.343 -0.208 -30.894 18 QB HIS 2 QB HIS 2 4.693 0.478 -27.548 19 H SER 3 HN SER 3 5.176 2.158 -25.320 20 HA SER 3 HA SER 3 8.086 1.786 -24.734 21 1HB SER 3 2HB SER 3 7.344 2.763 -22.445 22 2HB SER 3 3HB SER 3 7.260 3.890 -23.815 23 HG SER 3 HG SER 3 5.254 3.810 -22.662 24 QB SER 3 QB SER 3 7.302 3.327 -23.130 25 H GLY 4 HN GLY 4 5.027 1.263 -23.115 26 1HA GLY 4 1HA GLY 4 4.316 -1.238 -22.915 27 2HA GLY 4 2HA GLY 4 5.924 -1.450 -22.215 28 QA GLY 4 QA GLY 4 5.120 -1.344 -22.565 29 H GLU 5 HN GLU 5 3.795 1.279 -21.871 30 HA GLU 5 HA GLU 5 3.394 0.708 -18.968 31 1HB GLU 5 2HB GLU 5 5.033 2.731 -20.024 32 2HB GLU 5 3HB GLU 5 3.539 3.579 -19.683 33 1HG GLU 5 2HG GLU 5 5.158 1.909 -17.721 34 2HG GLU 5 3HG GLU 5 5.038 3.660 -17.729 35 QB GLU 5 QB GLU 5 4.286 3.155 -19.854 36 QG GLU 5 QG GLU 5 5.097 2.784 -17.724 37 H HIS 6 HN HIS 6 1.933 3.256 -18.769 38 HA HIS 6 HA HIS 6 -0.571 2.439 -20.181 39 1HB HIS 6 2HB HIS 6 -0.188 4.161 -17.709 40 2HB HIS 6 3HB HIS 6 -1.727 3.698 -18.395 41 HD1 HIS 6 HD1 HIS 6 1.315 1.923 -17.096 42 HD2 HIS 6 HD2 HIS 6 -2.778 1.451 -17.119 43 HE1 HIS 6 HE1 HIS 6 0.834 -0.218 -15.868 44 QB HIS 6 QB HIS 6 -0.957 3.930 -18.052 45 H PHE 7 HN PHE 7 -1.458 5.319 -19.293 46 HA PHE 7 HA PHE 7 -0.208 6.644 -21.667 47 1HB PHE 7 2HB PHE 7 -2.774 6.242 -21.580 48 2HB PHE 7 3HB PHE 7 -2.810 7.506 -20.357 49 HD1 PHE 7 1HD PHE 7 -1.410 6.854 -23.782 50 HD2 PHE 7 2HD PHE 7 -3.000 9.745 -21.079 51 HE1 PHE 7 1HE PHE 7 -1.300 8.566 -25.544 52 HE2 PHE 7 2HE PHE 7 -2.880 11.447 -22.839 53 HZ PHE 7 HZ PHE 7 -2.034 10.864 -25.068 54 QB PHE 7 QB PHE 7 -2.792 6.874 -20.968 55 QR PHE 7 QR PHE 7 -2.148 9.153 -23.311 56 H GLU 8 HN GLU 8 -1.886 7.890 -18.772 57 HA GLU 8 HA GLU 8 0.587 9.462 -18.158 58 1HB GLU 8 2HB GLU 8 -2.305 10.378 -18.209 59 2HB GLU 8 3HB GLU 8 -1.054 11.277 -17.366 60 1HG GLU 8 2HG GLU 8 0.214 11.525 -19.470 61 2HG GLU 8 3HG GLU 8 -0.995 10.578 -20.329 62 QB GLU 8 QB GLU 8 -1.680 10.827 -17.787 63 QG GLU 8 QG GLU 8 -0.391 11.051 -19.900 64 H GLY 9 HN GLY 9 -2.581 8.693 -16.754 65 1HA GLY 9 1HA GLY 9 -1.193 8.193 -14.143 66 2HA GLY 9 2HA GLY 9 -2.759 8.969 -14.240 67 QA GLY 9 QA GLY 9 -1.976 8.581 -14.192 68 H GLU 10 HN GLU 10 -4.219 7.417 -15.853 69 HA GLU 10 HA GLU 10 -5.495 5.526 -14.497 70 1HB GLU 10 2HB GLU 10 -5.718 4.176 -16.700 71 2HB GLU 10 3HB GLU 10 -6.259 5.847 -16.678 72 1HG GLU 10 2HG GLU 10 -3.399 5.377 -17.422 73 2HG GLU 10 3HG GLU 10 -4.615 4.894 -18.597 74 QB GLU 10 QB GLU 10 -5.988 5.011 -16.689 75 QG GLU 10 QG GLU 10 -4.007 5.136 -18.009 76 H LYS 11 HN LYS 11 -3.823 4.674 -12.941 77 HA LYS 11 HA LYS 11 -2.936 1.992 -13.912 78 1HB LYS 11 2HB LYS 11 -1.263 3.927 -12.260 79 2HB LYS 11 3HB LYS 11 -0.831 2.259 -12.593 80 1HG LYS 11 2HG LYS 11 -0.474 2.666 -14.896 81 2HG LYS 11 3HG LYS 11 -1.394 4.161 -14.877 82 1HD LYS 11 2HD LYS 11 0.963 4.727 -14.994 83 2HD LYS 11 3HD LYS 11 0.366 5.182 -13.404 84 1HE LYS 11 2HE LYS 11 1.953 3.890 -12.462 85 2HE LYS 11 3HE LYS 11 1.229 2.469 -13.195 86 1HZ LYS 11 3HZ LYS 11 2.757 3.883 -15.140 87 2HZ LYS 11 1HZ LYS 11 3.700 3.566 -13.744 88 3HZ LYS 11 2HZ LYS 11 2.935 2.298 -14.578 89 QB LYS 11 QB LYS 11 -1.047 3.093 -12.426 90 QG LYS 11 QG LYS 11 -0.934 3.414 -14.886 91 QD LYS 11 QD LYS 11 0.664 4.955 -14.200 92 QE LYS 11 QE LYS 11 1.592 3.180 -12.828 93 QZ LYS 11 QZ LYS 11 3.130 3.248 -14.487 94 H VAL 12 HN VAL 12 -2.875 0.432 -12.142 95 HA VAL 12 HA VAL 12 -4.059 1.476 -9.622 96 HB VAL 12 HB VAL 12 -5.915 0.649 -11.038 97 1HG1 VAL 12 1HG VAL 12 -4.439 -2.006 -10.950 98 2HG1 VAL 12 2HG VAL 12 -6.053 -1.757 -11.601 99 3HG1 VAL 12 3HG VAL 12 -4.668 -1.000 -12.374 100 1HG2 VAL 12 1HG VAL 12 -6.076 0.401 -8.588 101 2HG2 VAL 12 2HG VAL 12 -6.895 -0.923 -9.408 102 3HG2 VAL 12 3HG VAL 12 -5.308 -1.180 -8.690 103 QG1 VAL 12 QG1 VAL 12 -5.054 -1.588 -11.642 104 QG2 VAL 12 QG2 VAL 12 -6.093 -0.567 -8.895 105 QQG VAL 12 QQG VAL 12 -5.574 -1.077 -10.268 106 H PHE 13 HN PHE 13 -3.520 0.295 -7.800 107 HA PHE 13 HA PHE 13 -1.512 -1.878 -8.197 108 1HB PHE 13 2HB PHE 13 -1.225 0.242 -6.042 109 2HB PHE 13 3HB PHE 13 -0.031 -0.933 -6.575 110 HD1 PHE 13 2HD PHE 13 0.839 -0.744 -8.994 111 HD2 PHE 13 1HD PHE 13 -1.304 2.402 -7.081 112 HE1 PHE 13 2HE PHE 13 1.818 0.885 -10.554 113 HE2 PHE 13 1HE PHE 13 -0.325 4.017 -8.634 114 HZ PHE 13 HZ PHE 13 1.323 3.262 -10.313 115 QB PHE 13 QB PHE 13 -0.628 -0.345 -6.309 116 QR PHE 13 QR PHE 13 0.257 1.640 -8.816 117 NH1 ARG 14 NH2 ARG 14 -8.060 -4.351 -5.296 118 NH2 ARG 14 NH1 ARG 14 -8.039 -2.534 -6.660 119 H ARG 14 HN ARG 14 -1.355 -3.279 -6.384 120 HA ARG 14 HA ARG 14 -3.610 -3.092 -4.445 121 1HB ARG 14 2HB ARG 14 -3.017 -5.130 -6.493 122 2HB ARG 14 3HB ARG 14 -3.127 -5.838 -4.911 123 1HG ARG 14 2HG ARG 14 -5.307 -5.889 -5.810 124 2HG ARG 14 3HG ARG 14 -5.292 -4.610 -4.594 125 1HD ARG 14 2HD ARG 14 -5.264 -2.904 -6.191 126 2HD ARG 14 3HD ARG 14 -4.637 -3.966 -7.466 127 HE ARG 14 HE ARG 14 -6.823 -4.920 -7.674 128 1HH1 ARG 14 2HH ARG 14 -7.705 -5.260 -5.091 129 2HH1 ARG 14 1HH ARG 14 -8.720 -3.912 -4.676 130 1HH2 ARG 14 2HH ARG 14 -7.650 -2.066 -7.448 131 2HH2 ARG 14 1HH ARG 14 -8.742 -2.079 -6.100 132 QB ARG 14 QB ARG 14 -3.072 -5.483 -5.702 133 QG ARG 14 QG ARG 14 -5.299 -5.250 -5.202 134 QD ARG 14 QD ARG 14 -4.951 -3.434 -6.829 135 QH1 ARG 14 QH2 ARG 14 -8.212 -4.586 -4.884 136 QH2 ARG 14 QH1 ARG 14 -8.195 -2.073 -6.774 137 H VAL 15 HN VAL 15 -2.339 -2.574 -2.637 138 HA VAL 15 HA VAL 15 0.176 -4.067 -2.245 139 HB VAL 15 HB VAL 15 -1.155 -2.160 -0.291 140 1HG1 VAL 15 2HG VAL 15 1.716 -3.099 -0.656 141 2HG1 VAL 15 3HG VAL 15 1.175 -1.946 0.558 142 3HG1 VAL 15 1HG VAL 15 0.627 -3.619 0.626 143 1HG2 VAL 15 3HG VAL 15 0.833 -1.592 -2.521 144 2HG2 VAL 15 1HG VAL 15 -0.813 -0.971 -2.415 145 3HG2 VAL 15 2HG VAL 15 0.403 -0.455 -1.252 146 QG1 VAL 15 QG1 VAL 15 1.172 -2.888 0.176 147 QG2 VAL 15 QG2 VAL 15 0.141 -1.006 -2.063 148 QQG VAL 15 QQG VAL 15 0.657 -1.947 -0.943 149 H ASN 16 HN ASN 16 -1.068 -6.026 -2.399 150 HA ASN 16 HA ASN 16 -2.980 -6.898 -0.543 151 1HB ASN 16 2HB ASN 16 -0.759 -8.486 -1.866 152 2HB ASN 16 3HB ASN 16 -2.127 -9.206 -1.021 153 1HD2 ASN 16 2HD ASN 16 -3.437 -9.184 -4.386 154 2HD2 ASN 16 1HD ASN 16 -2.645 -10.146 -3.233 155 QB ASN 16 QB ASN 16 -1.443 -8.846 -1.443 156 QD2 ASN 16 QD2 ASN 16 -3.040 -9.664 -3.809 157 H VAL 17 HN VAL 17 -2.882 -7.928 1.372 158 HA VAL 17 HA VAL 17 -0.333 -7.637 2.893 159 HB VAL 17 HB VAL 17 -3.218 -7.155 3.720 160 1HG1 VAL 17 1HG VAL 17 -1.870 -8.328 5.498 161 2HG1 VAL 17 2HG VAL 17 -0.725 -6.999 5.444 162 3HG1 VAL 17 3HG VAL 17 -2.383 -6.720 5.948 163 1HG2 VAL 17 3HG VAL 17 -2.090 -5.317 2.473 164 2HG2 VAL 17 1HG VAL 17 -2.385 -4.864 4.150 165 3HG2 VAL 17 2HG VAL 17 -0.770 -5.348 3.637 166 QG1 VAL 17 QG1 VAL 17 -1.659 -7.349 5.630 167 QG2 VAL 17 QG2 VAL 17 -1.749 -5.176 3.420 168 QQG VAL 17 QQG VAL 17 -1.704 -6.263 4.525 169 H GLU 18 HN GLU 18 0.409 -9.635 3.290 170 HA GLU 18 HA GLU 18 -1.492 -11.875 3.384 171 1HB GLU 18 2HB GLU 18 1.529 -11.821 3.666 172 2HB GLU 18 3HB GLU 18 0.532 -13.229 3.379 173 1HG GLU 18 2HG GLU 18 1.151 -10.955 1.508 174 2HG GLU 18 3HG GLU 18 1.278 -12.681 1.201 175 QB GLU 18 QB GLU 18 1.031 -12.525 3.523 176 QG GLU 18 QG GLU 18 1.214 -11.818 1.354 177 H ASP 19 HN ASP 19 0.754 -10.129 5.495 178 HA ASP 19 HA ASP 19 -0.673 -11.430 7.793 179 1HB ASP 19 2HB ASP 19 1.888 -12.179 7.362 180 2HB ASP 19 3HB ASP 19 2.200 -10.747 8.251 181 QB ASP 19 QB ASP 19 2.044 -11.463 7.807 182 H GLU 20 HN GLU 20 1.143 -10.031 9.562 183 HA GLU 20 HA GLU 20 -0.224 -7.406 9.320 184 1HB GLU 20 2HB GLU 20 -0.006 -8.702 11.537 185 2HB GLU 20 3HB GLU 20 1.691 -8.235 11.509 186 1HG GLU 20 2HG GLU 20 0.726 -6.529 12.719 187 2HG GLU 20 3HG GLU 20 0.761 -5.802 11.122 188 QB GLU 20 QB GLU 20 0.842 -8.469 11.523 189 QG GLU 20 QG GLU 20 0.744 -6.166 11.920 190 H ASN 21 HN ASN 21 2.950 -8.887 9.231 191 HA ASN 21 HA ASN 21 4.754 -6.802 9.172 192 1HB ASN 21 2HB ASN 21 5.434 -9.104 8.829 193 2HB ASN 21 3HB ASN 21 4.539 -9.202 7.324 194 1HD2 ASN 21 2HD ASN 21 7.499 -6.594 6.578 195 2HD2 ASN 21 1HD ASN 21 6.178 -6.159 7.553 196 QB ASN 21 QB ASN 21 4.986 -9.153 8.077 197 QD2 ASN 21 QD2 ASN 21 6.838 -6.377 7.066 198 H ASP 22 HN ASP 22 2.849 -7.889 6.423 199 HA ASP 22 HA ASP 22 3.649 -5.950 4.542 200 1HB ASP 22 2HB ASP 22 1.172 -7.628 4.960 201 2HB ASP 22 3HB ASP 22 1.242 -6.514 3.615 202 QB ASP 22 QB ASP 22 1.207 -7.071 4.287 203 H ILE 23 HN ILE 23 1.283 -5.750 7.104 204 HA ILE 23 HA ILE 23 0.329 -3.105 6.246 205 HB ILE 23 HB ILE 23 -0.143 -4.754 8.758 206 1HG1 ILE 23 2HG ILE 23 -2.199 -3.871 6.743 207 2HG1 ILE 23 3HG ILE 23 -1.151 -5.226 6.375 208 1HG2 ILE 23 3HG ILE 23 -1.330 -2.052 7.977 209 2HG2 ILE 23 1HG ILE 23 -1.827 -3.023 9.357 210 3HG2 ILE 23 2HG ILE 23 -0.217 -2.327 9.311 211 1HD1 ILE 23 1HD ILE 23 -2.799 -5.014 8.910 212 2HD1 ILE 23 2HD ILE 23 -3.285 -5.917 7.486 213 3HD1 ILE 23 3HD ILE 23 -1.854 -6.404 8.380 214 QG1 ILE 23 QG1 ILE 23 -1.675 -4.549 6.559 215 QG2 ILE 23 QG2 ILE 23 -1.125 -2.468 8.882 216 QD1 ILE 23 QD1 ILE 23 -2.647 -5.778 8.258 217 H SER 24 HN SER 24 2.437 -4.435 8.785 218 HA SER 24 HA SER 24 2.888 -1.949 10.132 219 1HB SER 24 2HB SER 24 5.098 -3.074 10.836 220 2HB SER 24 3HB SER 24 3.633 -4.005 11.216 221 HG SER 24 HG SER 24 5.521 -4.363 9.152 222 QB SER 24 QB SER 24 4.366 -3.539 11.026 223 H GLU 25 HN GLU 25 4.349 -3.516 7.354 224 HA GLU 25 HA GLU 25 6.305 -1.357 7.039 225 1HB GLU 25 2HB GLU 25 5.777 -4.017 5.909 226 2HB GLU 25 3HB GLU 25 6.338 -2.877 4.713 227 1HG GLU 25 2HG GLU 25 8.158 -4.173 6.024 228 2HG GLU 25 3HG GLU 25 8.360 -2.428 5.968 229 QB GLU 25 QB GLU 25 6.058 -3.448 5.311 230 QG GLU 25 QG GLU 25 8.259 -3.300 5.996 231 H LEU 26 HN LEU 26 3.207 -2.225 5.394 232 HA LEU 26 HA LEU 26 3.556 -0.142 3.427 233 1HB LEU 26 2HB LEU 26 1.916 -1.776 2.913 234 2HB LEU 26 3HB LEU 26 1.194 -1.696 4.512 235 HG LEU 26 HG LEU 26 0.369 0.564 4.029 236 1HD1 LEU 26 1HD LEU 26 1.502 0.076 1.247 237 2HD1 LEU 26 2HD LEU 26 0.486 1.441 1.700 238 3HD1 LEU 26 3HD LEU 26 2.092 1.270 2.390 239 1HD2 LEU 26 2HD LEU 26 -0.375 -1.499 1.923 240 2HD2 LEU 26 3HD LEU 26 -1.070 -1.377 3.533 241 3HD2 LEU 26 1HD LEU 26 -1.355 -0.104 2.353 242 QB LEU 26 QB LEU 26 1.555 -1.736 3.712 243 QD1 LEU 26 QD1 LEU 26 1.360 0.929 1.779 244 QD2 LEU 26 QD2 LEU 26 -0.934 -0.993 2.603 245 QQD LEU 26 QQD LEU 26 0.213 -0.032 2.191 246 H HIS 27 HN HIS 27 2.216 -0.268 6.662 247 HA HIS 27 HA HIS 27 0.895 2.199 6.846 248 1HB HIS 27 2HB HIS 27 1.929 0.302 8.716 249 2HB HIS 27 3HB HIS 27 2.437 1.877 9.242 250 HD1 HIS 27 HD1 HIS 27 0.186 3.631 8.825 251 HD2 HIS 27 HD2 HIS 27 -0.516 -0.269 9.954 252 HE1 HIS 27 HE1 HIS 27 -2.148 3.548 9.769 253 QB HIS 27 QB HIS 27 2.183 1.090 8.979 254 H GLU 28 HN GLU 28 4.349 1.526 7.318 255 HA GLU 28 HA GLU 28 5.327 4.033 8.012 256 1HB GLU 28 2HB GLU 28 6.662 1.922 7.563 257 2HB GLU 28 3HB GLU 28 6.571 2.284 5.848 258 1HG GLU 28 2HG GLU 28 8.692 3.133 6.722 259 2HG GLU 28 3HG GLU 28 7.670 4.509 6.325 260 QB GLU 28 QB GLU 28 6.617 2.104 6.706 261 QG GLU 28 QG GLU 28 8.181 3.821 6.524 262 H LEU 29 HN LEU 29 4.408 2.926 4.799 263 HA LEU 29 HA LEU 29 4.964 5.445 3.456 264 1HB LEU 29 2HB LEU 29 4.660 2.924 2.575 265 2HB LEU 29 3HB LEU 29 2.993 3.423 2.396 266 HG LEU 29 HG LEU 29 4.178 3.729 0.294 267 1HD1 LEU 29 2HD LEU 29 2.459 5.438 0.882 268 2HD1 LEU 29 3HD LEU 29 3.721 6.435 1.603 269 3HD1 LEU 29 1HD LEU 29 3.738 6.111 -0.122 270 1HD2 LEU 29 1HD LEU 29 6.442 3.945 1.238 271 2HD2 LEU 29 2HD LEU 29 6.094 5.248 0.113 272 3HD2 LEU 29 3HD LEU 29 6.049 5.549 1.843 273 QB LEU 29 QB LEU 29 3.827 3.173 2.485 274 QD1 LEU 29 QD1 LEU 29 3.306 5.995 0.787 275 QD2 LEU 29 QD2 LEU 29 6.195 4.914 1.065 276 QQD LEU 29 QQD LEU 29 4.750 5.454 0.926 277 H ALA 30 HN ALA 30 2.083 3.847 4.743 278 HA ALA 30 HA ALA 30 0.090 5.648 3.871 279 1HB ALA 30 2HB ALA 30 -0.396 3.565 5.160 280 2HB ALA 30 3HB ALA 30 0.277 4.324 6.599 281 3HB ALA 30 1HB ALA 30 -1.190 4.965 5.875 282 QB ALA 30 QB ALA 30 -0.437 4.285 5.878 283 H SER 31 HN SER 31 2.319 5.862 6.577 284 HA SER 31 HA SER 31 1.533 8.030 8.038 285 1HB SER 31 2HB SER 31 4.369 7.833 6.967 286 2HB SER 31 3HB SER 31 3.839 8.419 8.556 287 HG SER 31 HG SER 31 4.339 5.907 7.785 288 QB SER 31 QB SER 31 4.104 8.125 7.762 289 H THR 32 HN THR 32 3.771 8.624 5.305 290 HA THR 32 HA THR 32 2.990 11.432 5.173 291 HB THR 32 HB THR 32 4.434 11.334 3.009 292 HG1 THR 32 1HG THR 32 5.553 8.996 3.717 293 1HG2 THR 32 1HG THR 32 5.687 10.180 5.558 294 2HG2 THR 32 2HG THR 32 6.564 10.973 4.250 295 3HG2 THR 32 3HG THR 32 5.462 11.901 5.263 296 QG2 THR 32 QG2 THR 32 5.905 11.018 5.024 297 NH1 ARG 33 NH2 ARG 33 -4.112 10.587 5.445 298 NH2 ARG 33 NH1 ARG 33 -1.961 10.920 6.177 299 H ARG 33 HN ARG 33 2.346 8.492 3.448 300 HA ARG 33 HA ARG 33 0.576 7.855 2.099 301 1HB ARG 33 2HB ARG 33 -0.471 9.561 3.961 302 2HB ARG 33 3HB ARG 33 -0.952 10.367 2.482 303 1HG ARG 33 2HG ARG 33 -2.070 8.364 1.683 304 2HG ARG 33 3HG ARG 33 -1.450 7.417 3.028 305 1HD ARG 33 2HD ARG 33 -3.399 9.735 3.149 306 2HD ARG 33 3HD ARG 33 -3.730 8.059 3.578 307 HE ARG 33 HE ARG 33 -1.873 8.474 5.408 308 1HH1 ARG 33 2HH ARG 33 -4.769 10.001 4.970 309 2HH1 ARG 33 1HH ARG 33 -4.422 11.455 5.832 310 1HH2 ARG 33 2HH ARG 33 -1.004 10.609 6.192 311 2HH2 ARG 33 1HH ARG 33 -2.213 11.773 6.638 312 QB ARG 33 QB ARG 33 -0.711 9.963 3.222 313 QG ARG 33 QG ARG 33 -1.760 7.891 2.356 314 QD ARG 33 QD ARG 33 -3.565 8.897 3.363 315 QH1 ARG 33 QH2 ARG 33 -4.595 10.728 5.401 316 QH2 ARG 33 QH1 ARG 33 -1.608 11.190 6.415 317 H GLN 34 HN GLN 34 2.328 8.338 0.480 318 HA GLN 34 HA GLN 34 2.024 10.680 -1.226 319 1HB GLN 34 2HB GLN 34 3.359 8.006 -1.828 320 2HB GLN 34 3HB GLN 34 3.572 9.492 -2.736 321 1HG GLN 34 2HG GLN 34 4.544 10.573 -0.696 322 2HG GLN 34 3HG GLN 34 4.388 9.044 0.166 323 1HE2 GLN 34 2HE GLN 34 7.031 9.069 -2.997 324 2HE2 GLN 34 1HE GLN 34 5.565 9.915 -3.139 325 QB GLN 34 QB GLN 34 3.465 8.749 -2.281 326 QG GLN 34 QG GLN 34 4.467 9.808 -0.265 327 QE2 GLN 34 QE2 GLN 34 6.298 9.492 -3.068 328 H ILE 35 HN ILE 35 0.175 8.062 -0.667 329 HA ILE 35 HA ILE 35 -1.157 8.133 -3.320 330 HB ILE 35 HB ILE 35 -1.818 5.657 -2.462 331 1HG1 ILE 35 2HG ILE 35 0.262 4.555 -1.571 332 2HG1 ILE 35 3HG ILE 35 0.941 6.145 -1.284 333 1HG2 ILE 35 3HG ILE 35 -0.818 6.231 -4.624 334 2HG2 ILE 35 1HG ILE 35 0.770 6.323 -3.867 335 3HG2 ILE 35 2HG ILE 35 -0.087 4.787 -3.937 336 1HD1 ILE 35 2HD ILE 35 -1.650 5.104 -0.073 337 2HD1 ILE 35 3HD ILE 35 -0.105 5.217 0.763 338 3HD1 ILE 35 1HD ILE 35 -0.929 6.678 0.248 339 QG1 ILE 35 QG1 ILE 35 0.602 5.350 -1.427 340 QG2 ILE 35 QG2 ILE 35 -0.045 5.780 -4.143 341 QD1 ILE 35 QD1 ILE 35 -0.895 5.667 0.313 342 H ASP 36 HN ASP 36 -3.378 7.081 -3.044 343 HA ASP 36 HA ASP 36 -4.647 8.275 -0.625 344 1HB ASP 36 2HB ASP 36 -5.982 7.363 -3.206 345 2HB ASP 36 3HB ASP 36 -6.705 8.329 -1.922 346 QB ASP 36 QB ASP 36 -6.344 7.846 -2.564 347 H PHE 37 HN PHE 37 -6.716 6.969 -0.163 348 HA PHE 37 HA PHE 37 -6.106 4.054 -0.315 349 1HB PHE 37 2HB PHE 37 -7.220 5.617 2.041 350 2HB PHE 37 3HB PHE 37 -7.197 3.860 1.956 351 HD1 PHE 37 2HD PHE 37 -4.583 3.213 0.832 352 HD2 PHE 37 1HD PHE 37 -5.628 6.280 3.590 353 HE1 PHE 37 2HE PHE 37 -2.331 3.118 1.794 354 HE2 PHE 37 1HE PHE 37 -3.372 6.180 4.550 355 HZ PHE 37 HZ PHE 37 -1.714 4.624 3.630 356 QB PHE 37 QB PHE 37 -7.209 4.738 1.998 357 QR PHE 37 QR PHE 37 -3.978 4.698 2.691 358 CH2 TRP 38 CH2 TRP 38 -12.919 1.459 -6.966 359 H TRP 38 HN TRP 38 -7.414 4.180 -2.204 360 HA TRP 38 HA TRP 38 -10.139 5.133 -2.000 361 1HB TRP 38 2HB TRP 38 -8.986 4.911 -4.169 362 2HB TRP 38 3HB TRP 38 -8.940 3.177 -3.975 363 HD1 TRP 38 HD1 TRP 38 -11.942 5.635 -3.485 364 HE1 TRP 38 HE1 TRP 38 -13.913 4.781 -4.752 365 HE3 TRP 38 HE3 TRP 38 -9.756 1.713 -5.734 366 HZ2 TRP 38 HZ2 TRP 38 -14.549 2.766 -6.512 367 HZ3 TRP 38 HZ3 TRP 38 -11.148 0.307 -7.233 368 HH2 TRP 38 HH2 TRP 38 -13.512 0.826 -7.612 369 QB TRP 38 QB TRP 38 -8.963 4.044 -4.072 370 H LYS 39 HN LYS 39 -8.695 1.858 -1.999 371 HA LYS 39 HA LYS 39 -10.914 1.040 -0.212 372 1HB LYS 39 2HB LYS 39 -11.052 0.445 -2.903 373 2HB LYS 39 3HB LYS 39 -10.301 -1.002 -2.249 374 1HG LYS 39 2HG LYS 39 -12.316 -1.693 -1.507 375 2HG LYS 39 3HG LYS 39 -12.390 -0.316 -0.430 376 1HD LYS 39 2HD LYS 39 -13.299 -0.327 -3.336 377 2HD LYS 39 3HD LYS 39 -14.375 -0.444 -1.950 378 1HE LYS 39 2HE LYS 39 -12.566 1.913 -2.618 379 2HE LYS 39 3HE LYS 39 -14.309 1.870 -2.789 380 1HZ LYS 39 2HZ LYS 39 -13.744 1.154 -0.145 381 2HZ LYS 39 3HZ LYS 39 -12.800 2.508 -0.503 382 3HZ LYS 39 1HZ LYS 39 -14.456 2.580 -0.688 383 QB LYS 39 QB LYS 39 -10.677 -0.278 -2.576 384 QG LYS 39 QG LYS 39 -12.353 -1.005 -0.968 385 QD LYS 39 QD LYS 39 -13.837 -0.386 -2.643 386 QE LYS 39 QE LYS 39 -13.437 1.892 -2.703 387 QZ LYS 39 QZ LYS 39 -13.666 2.080 -0.445 388 HA PRO 40 HA PRO 40 -11.351 -0.254 1.544 389 1HB PRO 40 2HB PRO 40 -9.932 0.078 4.008 390 2HB PRO 40 3HB PRO 40 -10.936 -1.297 3.531 391 1HG PRO 40 2HG PRO 40 -7.979 -1.037 3.535 392 2HG PRO 40 3HG PRO 40 -8.965 -2.506 3.550 393 1HD PRO 40 2HD PRO 40 -7.541 -1.613 1.332 394 2HD PRO 40 3HD PRO 40 -8.970 -2.662 1.224 395 QB PRO 40 QB PRO 40 -10.434 -0.609 3.769 396 QG PRO 40 QG PRO 40 -8.472 -1.771 3.543 397 QD PRO 40 QD PRO 40 -8.256 -2.137 1.278 398 H ASP 41 HN ASP 41 -12.130 1.668 2.328 399 HA ASP 41 HA ASP 41 -11.055 4.053 1.308 400 1HB ASP 41 2HB ASP 41 -12.988 3.673 3.619 401 2HB ASP 41 3HB ASP 41 -12.846 5.113 2.608 402 QB ASP 41 QB ASP 41 -12.917 4.394 3.114 403 H SER 42 HN SER 42 -10.204 2.403 4.184 404 HA SER 42 HA SER 42 -8.403 4.642 4.902 405 1HB SER 42 2HB SER 42 -10.298 4.906 6.439 406 2HB SER 42 3HB SER 42 -10.221 3.186 6.868 407 HG SER 42 HG SER 42 -8.784 3.791 8.292 408 QB SER 42 QB SER 42 -10.260 4.045 6.654 409 H VAL 43 HN VAL 43 -6.772 3.960 6.457 410 HA VAL 43 HA VAL 43 -5.941 1.114 5.987 411 HB VAL 43 HB VAL 43 -4.415 2.954 5.080 412 1HG1 VAL 43 1HG VAL 43 -4.761 4.574 6.950 413 2HG1 VAL 43 2HG VAL 43 -3.929 3.473 8.044 414 3HG1 VAL 43 3HG VAL 43 -3.061 4.211 6.708 415 1HG2 VAL 43 3HG VAL 43 -3.568 0.696 5.605 416 2HG2 VAL 43 1HG VAL 43 -2.354 1.920 5.961 417 3HG2 VAL 43 2HG VAL 43 -3.272 1.182 7.272 418 QG1 VAL 43 QG1 VAL 43 -3.917 4.086 7.233 419 QG2 VAL 43 QG2 VAL 43 -3.064 1.266 6.279 420 QQG VAL 43 QQG VAL 43 -3.490 2.676 6.757 421 H THR 44 HN THR 44 -6.623 3.592 8.240 422 HA THR 44 HA THR 44 -5.523 3.278 10.618 423 HB THR 44 HB THR 44 -7.854 3.398 11.696 424 HG1 THR 44 1HG THR 44 -9.448 2.802 10.436 425 1HG2 THR 44 2HG THR 44 -7.370 5.101 9.198 426 2HG2 THR 44 3HG THR 44 -8.433 5.524 10.532 427 3HG2 THR 44 1HG THR 44 -6.693 5.444 10.781 428 QG2 THR 44 QG2 THR 44 -7.498 5.356 10.171 429 H GLN 45 HN GLN 45 -7.977 0.864 9.689 430 HA GLN 45 HA GLN 45 -6.512 -1.035 11.479 431 1HB GLN 45 2HB GLN 45 -9.519 -0.703 11.184 432 2HB GLN 45 3HB GLN 45 -8.775 -2.085 11.973 433 1HG GLN 45 2HG GLN 45 -8.381 0.813 12.810 434 2HG GLN 45 3HG GLN 45 -9.418 -0.351 13.628 435 1HE2 GLN 45 2HE GLN 45 -5.498 -0.304 14.456 436 2HE2 GLN 45 1HE GLN 45 -6.225 0.862 13.459 437 QB GLN 45 QB GLN 45 -9.147 -1.393 11.579 438 QG GLN 45 QG GLN 45 -8.900 0.231 13.218 439 QE2 GLN 45 QE2 GLN 45 -5.862 0.279 13.958 440 H ILE 46 HN ILE 46 -5.794 -0.999 8.880 441 HA ILE 46 HA ILE 46 -7.364 -2.904 7.330 442 HB ILE 46 HB ILE 46 -5.881 -1.328 6.160 443 1HG1 ILE 46 2HG ILE 46 -4.506 -2.952 4.808 444 2HG1 ILE 46 3HG ILE 46 -4.960 -4.218 5.939 445 1HG2 ILE 46 2HG ILE 46 -3.651 -2.729 7.657 446 2HG2 ILE 46 3HG ILE 46 -3.421 -1.554 6.368 447 3HG2 ILE 46 1HG ILE 46 -4.165 -1.065 7.881 448 1HD1 ILE 46 3HD ILE 46 -7.362 -3.796 5.403 449 2HD1 ILE 46 1HD ILE 46 -6.865 -2.559 4.260 450 3HD1 ILE 46 2HD ILE 46 -6.443 -4.240 3.971 451 QG1 ILE 46 QG1 ILE 46 -4.733 -3.585 5.373 452 QG2 ILE 46 QG2 ILE 46 -3.746 -1.783 7.302 453 QD1 ILE 46 QD1 ILE 46 -6.891 -3.531 4.545 454 H LYS 47 HN LYS 47 -6.809 -5.177 7.042 455 HA LYS 47 HA LYS 47 -4.884 -6.234 9.059 456 1HB LYS 47 2HB LYS 47 -7.762 -6.536 9.104 457 2HB LYS 47 3HB LYS 47 -7.025 -8.106 8.850 458 1HG LYS 47 2HG LYS 47 -7.320 -7.692 11.257 459 2HG LYS 47 3HG LYS 47 -5.617 -7.778 10.875 460 1HD LYS 47 2HD LYS 47 -6.726 -5.045 10.714 461 2HD LYS 47 3HD LYS 47 -6.816 -5.752 12.315 462 1HE LYS 47 2HE LYS 47 -4.304 -5.382 10.636 463 2HE LYS 47 3HE LYS 47 -4.698 -4.574 12.132 464 1HZ LYS 47 3HZ LYS 47 -4.786 -7.323 12.614 465 2HZ LYS 47 1HZ LYS 47 -3.370 -6.994 11.734 466 3HZ LYS 47 2HZ LYS 47 -3.645 -6.184 13.176 467 QB LYS 47 QB LYS 47 -7.393 -7.322 8.978 468 QG LYS 47 QG LYS 47 -6.469 -7.735 11.066 469 QD LYS 47 QD LYS 47 -6.771 -5.398 11.515 470 QE LYS 47 QE LYS 47 -4.501 -4.978 11.385 471 QZ LYS 47 QZ LYS 47 -3.934 -6.833 12.508 472 HA PRO 48 HA PRO 48 -3.557 -9.127 5.965 473 1HB PRO 48 2HB PRO 48 -4.208 -11.454 7.699 474 2HB PRO 48 3HB PRO 48 -2.651 -10.956 7.028 475 1HG PRO 48 2HG PRO 48 -3.225 -10.636 9.672 476 2HG PRO 48 3HG PRO 48 -2.211 -9.480 8.800 477 1HD PRO 48 2HD PRO 48 -5.092 -9.222 9.604 478 2HD PRO 48 3HD PRO 48 -3.825 -7.977 9.533 479 QB PRO 48 QB PRO 48 -3.429 -11.205 7.363 480 QG PRO 48 QG PRO 48 -2.719 -10.057 9.236 481 QD PRO 48 QD PRO 48 -4.459 -8.600 9.569 482 H HIS 49 HN HIS 49 -4.264 -10.573 4.398 483 HA HIS 49 HA HIS 49 -5.806 -11.866 3.144 484 1HB HIS 49 2HB HIS 49 -7.891 -11.392 5.283 485 2HB HIS 49 3HB HIS 49 -7.915 -12.586 4.021 486 HD1 HIS 49 HD1 HIS 49 -5.442 -14.035 4.275 487 HD2 HIS 49 HD2 HIS 49 -7.364 -12.752 7.675 488 HE1 HIS 49 HE1 HIS 49 -4.654 -15.526 6.146 489 QB HIS 49 QB HIS 49 -7.902 -11.989 4.653 490 H SER 50 HN SER 50 -5.414 -9.002 3.158 491 HA SER 50 HA SER 50 -7.728 -8.256 1.505 492 1HB SER 50 2HB SER 50 -6.915 -6.681 3.986 493 2HB SER 50 3HB SER 50 -7.990 -6.049 2.729 494 HG SER 50 HG SER 50 -8.708 -8.577 3.413 495 QB SER 50 QB SER 50 -7.453 -6.365 3.357 496 H THR 51 HN THR 51 -7.186 -5.921 0.584 497 HA THR 51 HA THR 51 -4.244 -5.589 0.335 498 HB THR 51 HB THR 51 -4.826 -6.933 -1.667 499 HG1 THR 51 1HG THR 51 -3.703 -5.566 -2.812 500 1HG2 THR 51 3HG THR 51 -7.277 -6.261 -1.817 501 2HG2 THR 51 1HG THR 51 -6.747 -4.670 -2.359 502 3HG2 THR 51 2HG THR 51 -6.398 -6.097 -3.332 503 QG2 THR 51 QG2 THR 51 -6.807 -5.676 -2.503 504 H VAL 52 HN VAL 52 -3.767 -3.498 -0.801 505 HA VAL 52 HA VAL 52 -5.876 -1.508 -0.078 506 HB VAL 52 HB VAL 52 -2.863 -1.148 0.178 507 1HG1 VAL 52 3HG VAL 52 -5.186 0.645 0.978 508 2HG1 VAL 52 1HG VAL 52 -3.487 0.964 1.309 509 3HG1 VAL 52 2HG VAL 52 -4.070 0.951 -0.350 510 1HG2 VAL 52 1HG VAL 52 -5.025 -1.472 2.299 511 2HG2 VAL 52 2HG VAL 52 -3.795 -2.669 1.903 512 3HG2 VAL 52 3HG VAL 52 -3.329 -1.132 2.621 513 QG1 VAL 52 QG1 VAL 52 -4.248 0.853 0.646 514 QG2 VAL 52 QG2 VAL 52 -4.050 -1.758 2.275 515 QQG VAL 52 QQG VAL 52 -4.148 -0.452 1.460 516 H ASP 53 HN ASP 53 -6.521 -0.359 -1.671 517 HA ASP 53 HA ASP 53 -5.035 -0.399 -4.249 518 1HB ASP 53 2HB ASP 53 -7.945 0.350 -3.847 519 2HB ASP 53 3HB ASP 53 -7.157 -0.130 -5.340 520 QB ASP 53 QB ASP 53 -7.551 0.110 -4.594 521 H PHE 54 HN PHE 54 -3.725 1.279 -4.068 522 HA PHE 54 HA PHE 54 -4.169 3.765 -2.770 523 1HB PHE 54 2HB PHE 54 -2.384 3.071 -5.114 524 2HB PHE 54 3HB PHE 54 -2.285 4.577 -4.230 525 HD1 PHE 54 2HD PHE 54 -2.867 3.188 -1.416 526 HD2 PHE 54 1HD PHE 54 -0.116 2.381 -4.583 527 HE1 PHE 54 2HE PHE 54 -1.243 2.310 0.200 528 HE2 PHE 54 1HE PHE 54 1.513 1.545 -2.947 529 HZ PHE 54 HZ PHE 54 0.964 1.543 -0.548 530 QB PHE 54 QB PHE 54 -2.334 3.824 -4.672 531 QR PHE 54 QR PHE 54 -0.678 2.356 -2.186 532 NH1 ARG 55 NH2 ARG 55 -10.666 5.194 -10.051 533 NH2 ARG 55 NH1 ARG 55 -11.460 3.764 -8.451 534 H ARG 55 HN ARG 55 -4.629 2.843 -6.063 535 HA ARG 55 HA ARG 55 -6.511 3.618 -7.407 536 1HB ARG 55 2HB ARG 55 -6.922 5.531 -5.620 537 2HB ARG 55 3HB ARG 55 -5.889 6.485 -6.675 538 1HG ARG 55 2HG ARG 55 -8.179 6.840 -7.377 539 2HG ARG 55 3HG ARG 55 -7.456 5.803 -8.593 540 1HD ARG 55 2HD ARG 55 -8.447 4.005 -6.661 541 2HD ARG 55 3HD ARG 55 -9.692 5.242 -6.816 542 HE ARG 55 HE ARG 55 -8.620 3.662 -9.146 543 1HH1 ARG 55 2HH ARG 55 -9.881 5.659 -10.463 544 2HH1 ARG 55 1HH ARG 55 -11.585 5.357 -10.412 545 1HH2 ARG 55 2HH ARG 55 -11.277 3.159 -7.672 546 2HH2 ARG 55 1HH ARG 55 -12.402 3.889 -8.764 547 QB ARG 55 QB ARG 55 -6.406 6.008 -6.147 548 QG ARG 55 QG ARG 55 -7.817 6.322 -7.986 549 QD ARG 55 QD ARG 55 -9.070 4.624 -6.739 550 QH1 ARG 55 QH2 ARG 55 -10.733 5.507 -10.437 551 QH2 ARG 55 QH1 ARG 55 -11.839 3.524 -8.219 552 H VAL 56 HN VAL 56 -5.848 6.194 -8.874 553 HA VAL 56 HA VAL 56 -3.460 5.187 -10.252 554 HB VAL 56 HB VAL 56 -4.351 6.162 -12.181 555 1HG1 VAL 56 3HG VAL 56 -5.679 4.184 -11.547 556 2HG1 VAL 56 1HG VAL 56 -6.778 5.211 -10.645 557 3HG1 VAL 56 2HG VAL 56 -6.673 5.349 -12.395 558 1HG2 VAL 56 3HG VAL 56 -6.267 7.753 -10.472 559 2HG2 VAL 56 1HG VAL 56 -4.926 8.388 -11.420 560 3HG2 VAL 56 2HG VAL 56 -6.319 7.697 -12.229 561 QG1 VAL 56 QG1 VAL 56 -6.377 4.915 -11.529 562 QG2 VAL 56 QG2 VAL 56 -5.837 7.946 -11.374 563 QQG VAL 56 QQG VAL 56 -6.107 6.431 -11.451 564 H LYS 57 HN LYS 57 -1.637 6.316 -10.002 565 HA LYS 57 HA LYS 57 -1.777 9.251 -9.484 566 1HB LYS 57 2HB LYS 57 -0.221 7.169 -7.919 567 2HB LYS 57 3HB LYS 57 0.268 8.848 -7.918 568 1HG LYS 57 2HG LYS 57 -2.489 7.826 -7.113 569 2HG LYS 57 3HG LYS 57 -1.223 8.242 -5.974 570 1HD LYS 57 2HD LYS 57 -1.755 10.407 -7.907 571 2HD LYS 57 3HD LYS 57 -3.171 9.980 -6.962 572 1HE LYS 57 2HE LYS 57 -1.710 11.770 -5.930 573 2HE LYS 57 3HE LYS 57 -2.003 10.382 -4.889 574 1HZ LYS 57 1HZ LYS 57 0.271 9.820 -6.411 575 2HZ LYS 57 2HZ LYS 57 0.479 11.377 -5.830 576 3HZ LYS 57 3HZ LYS 57 0.193 10.106 -4.757 577 QB LYS 57 QB LYS 57 0.024 8.009 -7.918 578 QG LYS 57 QG LYS 57 -1.856 8.034 -6.544 579 QD LYS 57 QD LYS 57 -2.462 10.194 -7.434 580 QE LYS 57 QE LYS 57 -1.856 11.076 -5.410 581 QZ LYS 57 QZ LYS 57 0.314 10.434 -5.667 582 H ALA 58 HN ALA 58 0.285 10.367 -10.186 583 HA ALA 58 HA ALA 58 1.934 8.601 -11.957 584 1HB ALA 58 2HB ALA 58 0.599 11.159 -12.863 585 2HB ALA 58 3HB ALA 58 1.726 10.207 -13.824 586 3HB ALA 58 1HB ALA 58 0.164 9.533 -13.376 587 QB ALA 58 QB ALA 58 0.830 10.300 -13.355 588 H GLU 59 HN GLU 59 2.057 10.706 -9.595 589 HA GLU 59 HA GLU 59 4.522 12.061 -10.588 590 1HB GLU 59 2HB GLU 59 4.095 13.764 -8.805 591 2HB GLU 59 3HB GLU 59 2.827 13.683 -10.018 592 1HG GLU 59 2HG GLU 59 2.684 12.337 -7.290 593 2HG GLU 59 3HG GLU 59 1.914 13.861 -7.701 594 QB GLU 59 QB GLU 59 3.461 13.723 -9.411 595 QG GLU 59 QG GLU 59 2.299 13.099 -7.496 596 H ASP 60 HN ASP 60 3.168 10.295 -7.844 597 HA ASP 60 HA ASP 60 5.948 10.079 -6.733 598 1HB ASP 60 2HB ASP 60 4.504 9.286 -4.663 599 2HB ASP 60 3HB ASP 60 4.675 11.001 -5.028 600 QB ASP 60 QB ASP 60 4.589 10.144 -4.845 601 H ILE 61 HN ILE 61 3.921 8.273 -8.587 602 HA ILE 61 HA ILE 61 3.679 5.816 -7.420 603 HB ILE 61 HB ILE 61 4.059 5.428 -10.024 604 1HG1 ILE 61 2HG ILE 61 3.017 8.160 -10.177 605 2HG1 ILE 61 3HG ILE 61 4.756 7.877 -10.221 606 1HG2 ILE 61 1HG ILE 61 1.980 4.960 -8.799 607 2HG2 ILE 61 2HG ILE 61 1.629 6.683 -8.809 608 3HG2 ILE 61 3HG ILE 61 1.624 5.779 -10.315 609 1HD1 ILE 61 2HD ILE 61 4.439 6.285 -12.097 610 2HD1 ILE 61 3HD ILE 61 2.708 6.607 -12.071 611 3HD1 ILE 61 1HD ILE 61 3.837 7.886 -12.508 612 QG1 ILE 61 QG1 ILE 61 3.886 8.018 -10.199 613 QG2 ILE 61 QG2 ILE 61 1.745 5.808 -9.307 614 QD1 ILE 61 QD1 ILE 61 3.661 6.926 -12.225 615 H LEU 62 HN LEU 62 6.459 7.435 -8.784 616 HA LEU 62 HA LEU 62 8.042 5.116 -9.253 617 1HB LEU 62 2HB LEU 62 8.635 7.369 -10.111 618 2HB LEU 62 3HB LEU 62 8.855 7.944 -8.470 619 HG LEU 62 HG LEU 62 10.719 6.228 -8.212 620 1HD1 LEU 62 1HD LEU 62 10.337 6.008 -11.226 621 2HD1 LEU 62 2HD LEU 62 11.668 5.305 -10.310 622 3HD1 LEU 62 3HD LEU 62 10.027 4.725 -10.060 623 1HD2 LEU 62 2HD LEU 62 11.009 8.308 -10.410 624 2HD2 LEU 62 3HD LEU 62 11.166 8.613 -8.683 625 3HD2 LEU 62 1HD LEU 62 12.337 7.588 -9.504 626 QB LEU 62 QB LEU 62 8.744 7.656 -9.290 627 QD1 LEU 62 QD1 LEU 62 10.678 5.346 -10.532 628 QD2 LEU 62 QD2 LEU 62 11.504 8.169 -9.532 629 QQD LEU 62 QQD LEU 62 11.091 6.758 -10.032 630 H ALA 63 HN ALA 63 7.577 6.987 -6.294 631 HA ALA 63 HA ALA 63 9.573 5.233 -4.954 632 1HB ALA 63 2HB ALA 63 7.873 7.515 -3.868 633 2HB ALA 63 3HB ALA 63 9.152 6.689 -2.983 634 3HB ALA 63 1HB ALA 63 9.545 7.653 -4.404 635 QB ALA 63 QB ALA 63 8.856 7.286 -3.752 636 H VAL 64 HN VAL 64 6.194 5.689 -5.318 637 HA VAL 64 HA VAL 64 5.409 4.030 -3.036 638 HB VAL 64 HB VAL 64 3.858 4.929 -5.502 639 1HG1 VAL 64 3HG VAL 64 2.885 3.777 -2.866 640 2HG1 VAL 64 1HG VAL 64 1.857 4.415 -4.142 641 3HG1 VAL 64 2HG VAL 64 2.814 2.972 -4.432 642 1HG2 VAL 64 2HG VAL 64 4.681 6.805 -4.092 643 2HG2 VAL 64 3HG VAL 64 2.931 6.659 -4.003 644 3HG2 VAL 64 1HG VAL 64 3.933 6.062 -2.685 645 QG1 VAL 64 QG1 VAL 64 2.519 3.721 -3.813 646 QG2 VAL 64 QG2 VAL 64 3.848 6.508 -3.593 647 QQG VAL 64 QQG VAL 64 3.184 5.115 -3.703 648 H GLU 65 HN GLU 65 5.650 3.582 -6.553 649 HA GLU 65 HA GLU 65 4.773 0.823 -6.493 650 1HB GLU 65 2HB GLU 65 6.363 2.435 -8.542 651 2HB GLU 65 3HB GLU 65 5.957 0.747 -8.782 652 1HG GLU 65 2HG GLU 65 3.529 1.320 -8.569 653 2HG GLU 65 3HG GLU 65 3.964 3.017 -8.421 654 QB GLU 65 QB GLU 65 6.160 1.591 -8.662 655 QG GLU 65 QG GLU 65 3.747 2.169 -8.494 656 H ASP 66 HN ASP 66 7.939 2.453 -6.609 657 HA ASP 66 HA ASP 66 9.622 0.192 -6.421 658 1HB ASP 66 2HB ASP 66 10.470 2.515 -6.742 659 2HB ASP 66 3HB ASP 66 10.002 2.907 -5.098 660 QB ASP 66 QB ASP 66 10.236 2.711 -5.919 661 H PHE 67 HN PHE 67 8.484 2.237 -3.739 662 HA PHE 67 HA PHE 67 9.424 0.996 -1.518 663 1HB PHE 67 2HB PHE 67 7.759 2.847 -1.461 664 2HB PHE 67 3HB PHE 67 6.483 1.700 -1.858 665 HD1 PHE 67 2HD PHE 67 9.024 2.602 0.701 666 HD2 PHE 67 1HD PHE 67 5.597 0.209 -0.159 667 HE1 PHE 67 2HE PHE 67 8.884 1.948 3.062 668 HE2 PHE 67 1HE PHE 67 5.486 -0.464 2.202 669 HZ PHE 67 HZ PHE 67 7.112 0.405 3.812 670 QB PHE 67 QB PHE 67 7.122 2.273 -1.659 671 QR PHE 67 QR PHE 67 7.248 1.074 1.451 672 H LEU 68 HN LEU 68 6.448 -0.134 -3.101 673 HA LEU 68 HA LEU 68 5.814 -2.402 -1.665 674 1HB LEU 68 2HB LEU 68 5.961 -2.392 -4.695 675 2HB LEU 68 3HB LEU 68 4.924 -3.410 -3.701 676 HG LEU 68 HG LEU 68 4.794 -0.382 -3.950 677 1HD1 LEU 68 2HD LEU 68 3.833 -1.662 -5.830 678 2HD1 LEU 68 3HD LEU 68 2.808 -2.547 -4.699 679 3HD1 LEU 68 1HD LEU 68 2.595 -0.811 -4.916 680 1HD2 LEU 68 1HD LEU 68 3.127 -2.253 -2.231 681 2HD2 LEU 68 2HD LEU 68 4.301 -1.089 -1.622 682 3HD2 LEU 68 3HD LEU 68 2.850 -0.525 -2.431 683 QB LEU 68 QB LEU 68 5.442 -2.901 -4.197 684 QD1 LEU 68 QD1 LEU 68 3.078 -1.673 -5.148 685 QD2 LEU 68 QD2 LEU 68 3.426 -1.289 -2.095 686 QQD LEU 68 QQD LEU 68 3.252 -1.481 -3.621 687 H GLU 69 HN GLU 69 8.452 -2.198 -3.944 688 HA GLU 69 HA GLU 69 9.170 -5.027 -3.601 689 1HB GLU 69 2HB GLU 69 9.437 -3.477 -5.731 690 2HB GLU 69 3HB GLU 69 10.906 -2.937 -4.934 691 1HG GLU 69 2HG GLU 69 11.743 -4.753 -6.121 692 2HG GLU 69 3HG GLU 69 11.297 -5.563 -4.626 693 QB GLU 69 QB GLU 69 10.172 -3.207 -5.333 694 QG GLU 69 QG GLU 69 11.520 -5.158 -5.374 695 H GLN 70 HN GLN 70 10.581 -1.856 -2.980 696 HA GLN 70 HA GLN 70 12.977 -2.333 -1.778 697 1HB GLN 70 2HB GLN 70 10.811 -0.532 -0.628 698 2HB GLN 70 3HB GLN 70 12.515 -0.443 -0.211 699 1HG GLN 70 2HG GLN 70 11.363 -0.026 -2.994 700 2HG GLN 70 3HG GLN 70 11.993 1.234 -1.946 701 1HE2 GLN 70 2HE GLN 70 14.527 -0.801 -4.255 702 2HE2 GLN 70 1HE GLN 70 12.839 -0.806 -4.470 703 QB GLN 70 QB GLN 70 11.663 -0.487 -0.419 704 QG GLN 70 QG GLN 70 11.678 0.604 -2.470 705 QE2 GLN 70 QE2 GLN 70 13.683 -0.803 -4.363 706 H ASN 71 HN ASN 71 9.869 -2.820 -0.130 707 HA ASN 71 HA ASN 71 11.372 -4.308 1.945 708 1HB ASN 71 2HB ASN 71 9.589 -3.710 3.474 709 2HB ASN 71 3HB ASN 71 10.291 -2.268 2.804 710 1HD2 ASN 71 2HD ASN 71 7.254 -1.749 0.763 711 2HD2 ASN 71 1HD ASN 71 8.924 -1.759 0.498 712 QB ASN 71 QB ASN 71 9.940 -2.990 3.140 713 QD2 ASN 71 QD2 ASN 71 8.089 -1.755 0.631 714 H GLU 72 HN GLU 72 10.903 -5.741 -0.192 715 HA GLU 72 HA GLU 72 9.558 -7.460 -1.168 716 1HB GLU 72 2HB GLU 72 10.119 -8.511 1.621 717 2HB GLU 72 3HB GLU 72 10.005 -9.447 0.142 718 1HG GLU 72 2HG GLU 72 12.109 -7.291 0.495 719 2HG GLU 72 3HG GLU 72 12.379 -8.948 1.008 720 QB GLU 72 QB GLU 72 10.062 -8.979 0.882 721 QG GLU 72 QG GLU 72 12.244 -8.119 0.751 722 H LEU 73 HN LEU 73 7.425 -6.016 -0.857 723 HA LEU 73 HA LEU 73 5.671 -7.252 1.187 724 1HB LEU 73 2HB LEU 73 5.260 -5.022 -0.835 725 2HB LEU 73 3HB LEU 73 3.984 -5.633 0.182 726 HG LEU 73 HG LEU 73 6.573 -4.395 1.160 727 1HD1 LEU 73 3HD LEU 73 3.707 -3.378 1.254 728 2HD1 LEU 73 1HD LEU 73 5.069 -2.612 2.060 729 3HD1 LEU 73 2HD LEU 73 5.017 -2.691 0.302 730 1HD2 LEU 73 1HD LEU 73 4.170 -5.453 2.687 731 2HD2 LEU 73 2HD LEU 73 5.815 -6.088 2.755 732 3HD2 LEU 73 3HD LEU 73 5.461 -4.497 3.409 733 QB LEU 73 QB LEU 73 4.622 -5.327 -0.326 734 QD1 LEU 73 QD1 LEU 73 4.597 -2.893 1.205 735 QD2 LEU 73 QD2 LEU 73 5.149 -5.346 2.950 736 QQD LEU 73 QQD LEU 73 4.874 -4.120 2.077 737 H GLN 74 HN GLN 74 3.607 -8.291 0.486 738 HA GLN 74 HA GLN 74 4.176 -9.788 -2.032 739 1HB GLN 74 2HB GLN 74 1.782 -10.363 -0.309 740 2HB GLN 74 3HB GLN 74 2.765 -11.477 -1.241 741 1HG GLN 74 2HG GLN 74 3.458 -10.182 1.416 742 2HG GLN 74 3HG GLN 74 3.287 -11.890 1.069 743 1HE2 GLN 74 2HE GLN 74 6.893 -10.276 0.810 744 2HE2 GLN 74 1HE GLN 74 5.582 -9.633 1.672 745 QB GLN 74 QB GLN 74 2.274 -10.920 -0.776 746 QG GLN 74 QG GLN 74 3.373 -11.036 1.242 747 QE2 GLN 74 QE2 GLN 74 6.238 -9.955 1.241 748 OH TYR 75 OH TYR 75 6.526 -5.899 -7.524 749 H TYR 75 HN TYR 75 3.499 -7.123 -2.325 750 HA TYR 75 HA TYR 75 0.771 -6.549 -2.826 751 1HB TYR 75 2HB TYR 75 1.508 -4.714 -4.223 752 2HB TYR 75 3HB TYR 75 2.651 -4.851 -2.900 753 HD1 TYR 75 HD1 TYR 75 4.759 -6.438 -3.425 754 HD2 TYR 75 HD2 TYR 75 2.358 -4.566 -6.406 755 HE1 TYR 75 HE1 TYR 75 6.564 -6.700 -5.031 756 HE2 TYR 75 HE2 TYR 75 4.215 -4.782 -7.996 757 HH TYR 75 HH TYR 75 7.347 -6.090 -7.035 758 QB TYR 75 QB TYR 75 2.080 -4.783 -3.561 759 QR TYR 75 QR TYR 75 4.474 -5.622 -5.714 760 H GLU 76 HN GLU 76 -0.228 -6.254 -5.022 761 HA GLU 76 HA GLU 76 0.577 -8.418 -6.913 762 1HB GLU 76 2HB GLU 76 -1.154 -9.274 -5.372 763 2HB GLU 76 3HB GLU 76 -2.182 -7.902 -5.735 764 1HG GLU 76 2HG GLU 76 -1.345 -9.407 -8.134 765 2HG GLU 76 3HG GLU 76 -2.319 -10.345 -7.005 766 QB GLU 76 QB GLU 76 -1.667 -8.588 -5.554 767 QG GLU 76 QG GLU 76 -1.831 -9.876 -7.570 768 H VAL 77 HN VAL 77 0.302 -7.813 -9.081 769 HA VAL 77 HA VAL 77 -1.080 -5.206 -9.621 770 HB VAL 77 HB VAL 77 1.507 -5.999 -10.998 771 1HG1 VAL 77 3HG VAL 77 0.104 -3.326 -10.590 772 2HG1 VAL 77 1HG VAL 77 1.643 -3.545 -11.413 773 3HG1 VAL 77 2HG VAL 77 0.179 -4.235 -12.095 774 1HG2 VAL 77 3HG VAL 77 1.972 -5.865 -8.568 775 2HG2 VAL 77 1HG VAL 77 2.702 -4.513 -9.427 776 3HG2 VAL 77 2HG VAL 77 1.219 -4.274 -8.509 777 QG1 VAL 77 QG1 VAL 77 0.642 -3.702 -11.366 778 QG2 VAL 77 QG2 VAL 77 1.964 -4.884 -8.834 779 QQG VAL 77 QQG VAL 77 1.304 -4.293 -10.100 780 H LEU 78 HN LEU 78 -1.759 -8.035 -10.005 781 HA LEU 78 HA LEU 78 -2.830 -9.423 -11.517 782 1HB LEU 78 2HB LEU 78 -2.988 -6.946 -13.272 783 2HB LEU 78 3HB LEU 78 -4.059 -8.336 -13.307 784 HG LEU 78 HG LEU 78 -3.731 -6.555 -10.859 785 1HD1 LEU 78 1HD LEU 78 -4.616 -5.252 -12.772 786 2HD1 LEU 78 2HD LEU 78 -5.857 -6.473 -13.031 787 3HD1 LEU 78 3HD LEU 78 -5.861 -5.513 -11.557 788 1HD2 LEU 78 2HD LEU 78 -4.619 -8.850 -10.460 789 2HD2 LEU 78 3HD LEU 78 -5.844 -7.626 -10.166 790 3HD2 LEU 78 1HD LEU 78 -5.878 -8.564 -11.655 791 QB LEU 78 QB LEU 78 -3.523 -7.641 -13.290 792 QD1 LEU 78 QD1 LEU 78 -5.444 -5.746 -12.454 793 QD2 LEU 78 QD2 LEU 78 -5.447 -8.346 -10.761 794 QQD LEU 78 QQD LEU 78 -5.446 -7.046 -11.607 795 H ILE 79 HN ILE 79 -1.182 -7.258 -13.769 796 HA ILE 79 HA ILE 79 0.240 -9.541 -14.931 797 HB ILE 79 HB ILE 79 0.007 -8.221 -16.983 798 1HG1 ILE 79 2HG ILE 79 -1.699 -6.321 -15.390 799 2HG1 ILE 79 3HG ILE 79 -0.060 -5.968 -15.919 800 1HG2 ILE 79 2HG ILE 79 -1.715 -9.896 -16.404 801 2HG2 ILE 79 3HG ILE 79 -2.617 -8.649 -15.551 802 3HG2 ILE 79 1HG ILE 79 -2.425 -8.560 -17.297 803 1HD1 ILE 79 3HD ILE 79 -0.773 -6.292 -18.288 804 2HD1 ILE 79 1HD ILE 79 -2.421 -6.586 -17.740 805 3HD1 ILE 79 2HD ILE 79 -1.683 -5.010 -17.499 806 QG1 ILE 79 QG1 ILE 79 -0.880 -6.144 -15.654 807 QG2 ILE 79 QG2 ILE 79 -2.252 -9.035 -16.417 808 QD1 ILE 79 QD1 ILE 79 -1.626 -5.962 -17.842 809 H ASN 80 HN ASN 80 1.614 -7.523 -16.599 810 HA ASN 80 HA ASN 80 3.106 -5.502 -15.632 811 1HB ASN 80 2HB ASN 80 3.796 -6.439 -13.564 812 2HB ASN 80 3HB ASN 80 3.985 -8.048 -14.246 813 1HD2 ASN 80 2HD ASN 80 7.401 -7.564 -14.721 814 2HD2 ASN 80 1HD ASN 80 6.124 -8.611 -14.350 815 QB ASN 80 QB ASN 80 3.890 -7.243 -13.905 816 QD2 ASN 80 QD2 ASN 80 6.762 -8.087 -14.536 817 H ASN 81 HN ASN 81 3.635 -8.807 -16.594 818 HA ASN 81 HA ASN 81 5.060 -7.911 -19.054 819 1HB ASN 81 2HB ASN 81 5.703 -10.356 -17.346 820 2HB ASN 81 3HB ASN 81 6.481 -9.948 -18.868 821 1HD2 ASN 81 ASN 81 7.565 -6.814 -16.806 822 2HD2 ASN 81 1HD ASN 81 6.197 -6.948 -17.793 823 QB ASN 81 QB ASN 81 6.092 -10.152 -18.107 824 QD2 ASN 81 QD2 ASN 81 6.881 -6.881 -17.300 Start of MODEL 4 Raw file had 824 H/Q atoms Start of MODEL 4 1 1H HIS 1 HN3 HIS 1 18.734 -2.202 -24.045 2 2H HIS 1 HN1 HIS 1 19.412 -1.046 -25.019 3 3H HIS 1 HN2 HIS 1 20.228 -1.586 -23.683 4 HA HIS 1 HA HIS 1 19.318 -0.066 -22.405 5 1HB HIS 1 2HB HIS 1 17.903 1.678 -23.486 6 2HB HIS 1 3HB HIS 1 19.398 1.388 -24.331 7 HD1 HIS 1 HD1 HIS 1 15.778 0.508 -24.569 8 HD2 HIS 1 HD2 HIS 1 19.062 0.730 -27.064 9 HE1 HIS 1 HE1 HIS 1 14.955 0.029 -26.894 10 QB HIS 1 QB HIS 1 18.651 1.534 -23.908 11 H HIS 2 HN HIS 2 16.799 0.937 -22.065 12 HA HIS 2 HA HIS 2 15.226 -1.537 -21.493 13 1HB HIS 2 2HB HIS 2 14.038 0.261 -19.949 14 2HB HIS 2 3HB HIS 2 15.533 -0.495 -19.463 15 HD1 HIS 2 HD1 HIS 2 14.691 2.487 -21.575 16 HD2 HIS 2 HD2 HIS 2 17.285 1.496 -18.537 17 HE1 HIS 2 HE1 HIS 2 16.169 4.486 -21.218 18 QB HIS 2 QB HIS 2 14.785 -0.118 -19.706 19 H SER 3 HN SER 3 12.773 -0.797 -21.183 20 HA SER 3 HA SER 3 11.903 0.456 -23.763 21 1HB SER 3 2HB SER 3 11.303 -1.963 -23.588 22 2HB SER 3 3HB SER 3 10.486 -1.650 -22.048 23 HG SER 3 HG SER 3 8.811 -1.046 -23.186 24 QB SER 3 QB SER 3 10.894 -1.806 -22.818 25 H GLY 4 HN GLY 4 9.412 1.041 -23.368 26 1HA GLY 4 1HA GLY 4 9.303 2.765 -20.912 27 2HA GLY 4 2HA GLY 4 8.680 3.297 -22.472 28 QA GLY 4 QA GLY 4 8.992 3.031 -21.692 29 H GLU 5 HN GLU 5 6.749 3.531 -20.892 30 HA GLU 5 HA GLU 5 5.246 0.948 -20.757 31 1HB GLU 5 2HB GLU 5 4.777 3.520 -19.189 32 2HB GLU 5 3HB GLU 5 3.931 1.994 -18.959 33 1HG GLU 5 2HG GLU 5 6.046 0.898 -18.283 34 2HG GLU 5 3HG GLU 5 6.928 2.395 -18.555 35 QB GLU 5 QB GLU 5 4.354 2.757 -19.074 36 QG GLU 5 QG GLU 5 6.487 1.646 -18.419 37 H HIS 6 HN HIS 6 2.858 1.254 -21.005 38 HA HIS 6 HA HIS 6 2.309 3.133 -23.284 39 1HB HIS 6 2HB HIS 6 2.062 0.605 -23.579 40 2HB HIS 6 3HB HIS 6 0.721 0.683 -22.473 41 HD1 HIS 6 HD1 HIS 6 -0.823 2.990 -23.436 42 HD2 HIS 6 HD2 HIS 6 0.930 0.417 -26.129 43 HE1 HIS 6 HE1 HIS 6 -2.149 3.173 -25.566 44 QB HIS 6 QB HIS 6 1.392 0.644 -23.026 45 H PHE 7 HN PHE 7 1.609 2.347 -20.064 46 HA PHE 7 HA PHE 7 -0.802 4.113 -20.048 47 1HB PHE 7 2HB PHE 7 0.177 2.003 -18.091 48 2HB PHE 7 3HB PHE 7 -1.138 3.107 -17.739 49 HD1 PHE 7 1HD PHE 7 -0.116 0.895 -20.587 50 HD2 PHE 7 2HD PHE 7 -3.294 2.234 -18.114 51 HE1 PHE 7 1HE PHE 7 -1.640 -0.643 -21.725 52 HE2 PHE 7 2HE PHE 7 -4.827 0.719 -19.268 53 HZ PHE 7 HZ PHE 7 -4.007 -0.732 -21.069 54 QB PHE 7 QB PHE 7 -0.481 2.555 -17.914 55 QR PHE 7 QR PHE 7 -2.470 0.801 -19.924 56 H GLU 8 HN GLU 8 1.018 5.705 -20.400 57 HA GLU 8 HA GLU 8 2.826 6.403 -18.278 58 1HB GLU 8 2HB GLU 8 1.727 7.917 -20.665 59 2HB GLU 8 3HB GLU 8 2.795 8.699 -19.510 60 1HG GLU 8 2HG GLU 8 4.513 6.947 -19.911 61 2HG GLU 8 3HG GLU 8 3.447 6.172 -21.076 62 QB GLU 8 QB GLU 8 2.261 8.308 -20.088 63 QG GLU 8 QG GLU 8 3.980 6.560 -20.493 64 H GLY 9 HN GLY 9 1.277 6.123 -16.538 65 1HA GLY 9 1HA GLY 9 0.646 7.884 -14.809 66 2HA GLY 9 2HA GLY 9 -0.369 8.583 -16.065 67 QA GLY 9 QA GLY 9 0.138 8.233 -15.437 68 H GLU 10 HN GLU 10 -1.426 6.211 -17.157 69 HA GLU 10 HA GLU 10 -3.502 5.679 -15.166 70 1HB GLU 10 2HB GLU 10 -3.907 5.955 -17.657 71 2HB GLU 10 3HB GLU 10 -3.151 4.384 -17.894 72 1HG GLU 10 2HG GLU 10 -4.888 3.580 -16.074 73 2HG GLU 10 3HG GLU 10 -5.753 5.048 -16.512 74 QB GLU 10 QB GLU 10 -3.529 5.169 -17.775 75 QG GLU 10 QG GLU 10 -5.320 4.315 -16.293 76 H LYS 11 HN LYS 11 -1.924 4.667 -13.628 77 HA LYS 11 HA LYS 11 -1.674 1.743 -14.251 78 1HB LYS 11 2HB LYS 11 0.238 3.229 -12.452 79 2HB LYS 11 3HB LYS 11 0.410 1.619 -13.117 80 1HG LYS 11 2HG LYS 11 0.490 2.664 -15.439 81 2HG LYS 11 3HG LYS 11 0.543 4.239 -14.656 82 1HD LYS 11 2HD LYS 11 2.838 3.706 -14.991 83 2HD LYS 11 3HD LYS 11 2.549 3.309 -13.308 84 1HE LYS 11 2HE LYS 11 3.468 1.292 -13.842 85 2HE LYS 11 3HE LYS 11 1.880 0.928 -14.506 86 1HZ LYS 11 1HZ LYS 11 3.337 2.354 -16.449 87 2HZ LYS 11 2HZ LYS 11 4.316 1.111 -15.842 88 3HZ LYS 11 3HZ LYS 11 2.798 0.711 -16.500 89 QB LYS 11 QB LYS 11 0.323 2.424 -12.785 90 QG LYS 11 QG LYS 11 0.516 3.452 -15.047 91 QD LYS 11 QD LYS 11 2.694 3.507 -14.150 92 QE LYS 11 QE LYS 11 2.675 1.109 -14.174 93 QZ LYS 11 QZ LYS 11 3.483 1.392 -16.264 94 H VAL 12 HN VAL 12 -2.409 0.398 -12.623 95 HA VAL 12 HA VAL 12 -3.206 1.704 -10.055 96 HB VAL 12 HB VAL 12 -4.901 -0.359 -11.506 97 1HG1 VAL 12 1HG VAL 12 -5.470 1.502 -9.166 98 2HG1 VAL 12 2HG VAL 12 -6.625 0.375 -9.869 99 3HG1 VAL 12 3HG VAL 12 -5.193 -0.231 -9.046 100 1HG2 VAL 12 3HG VAL 12 -4.852 1.762 -12.806 101 2HG2 VAL 12 1HG VAL 12 -6.434 1.470 -12.093 102 3HG2 VAL 12 2HG VAL 12 -5.339 2.633 -11.356 103 QG1 VAL 12 QG1 VAL 12 -5.763 0.548 -9.360 104 QG2 VAL 12 QG2 VAL 12 -5.542 1.955 -12.085 105 QQG VAL 12 QQG VAL 12 -5.652 1.252 -10.723 106 H PHE 13 HN PHE 13 -2.858 0.451 -8.261 107 HA PHE 13 HA PHE 13 -2.194 -2.397 -8.504 108 1HB PHE 13 2HB PHE 13 -0.036 -1.554 -6.984 109 2HB PHE 13 3HB PHE 13 0.043 -2.053 -8.657 110 HD1 PHE 13 1HD PHE 13 -0.609 1.054 -6.608 111 HD2 PHE 13 2HD PHE 13 0.961 -0.595 -10.197 112 HE1 PHE 13 1HE PHE 13 0.441 3.212 -7.163 113 HE2 PHE 13 2HE PHE 13 1.949 1.558 -10.780 114 HZ PHE 13 HZ PHE 13 1.932 3.381 -9.150 115 QB PHE 13 QB PHE 13 0.003 -1.804 -7.820 116 QR PHE 13 QR PHE 13 0.686 1.307 -8.687 117 NH1 ARG 14 NH1 ARG 14 -6.453 -3.642 -6.559 118 NH2 ARG 14 NH2 ARG 14 -8.027 -5.099 -5.779 119 H ARG 14 HN ARG 14 -2.095 -3.446 -6.429 120 HA ARG 14 HA ARG 14 -3.023 -1.824 -4.129 121 1HB ARG 14 2HB ARG 14 -4.484 -3.638 -3.558 122 2HB ARG 14 3HB ARG 14 -4.855 -3.180 -5.175 123 1HG ARG 14 2HG ARG 14 -3.472 -5.088 -5.974 124 2HG ARG 14 3HG ARG 14 -3.092 -5.511 -4.313 125 1HD ARG 14 2HD ARG 14 -4.886 -6.949 -4.745 126 2HD ARG 14 3HD ARG 14 -5.718 -5.575 -4.015 127 HE ARG 14 HE ARG 14 -5.686 -6.284 -6.919 128 1HH1 ARG 14 2HH ARG 14 -5.508 -3.498 -6.847 129 2HH1 ARG 14 1HH ARG 14 -7.100 -2.871 -6.549 130 1HH2 ARG 14 2HH ARG 14 -8.263 -6.032 -5.496 131 2HH2 ARG 14 1HH ARG 14 -8.718 -4.365 -5.738 132 QB ARG 14 QB ARG 14 -4.670 -3.409 -4.366 133 QG ARG 14 QG ARG 14 -3.283 -5.300 -5.144 134 QD ARG 14 QD ARG 14 -5.302 -6.262 -4.380 135 QH1 ARG 14 QH1 ARG 14 -6.303 -3.184 -6.699 136 QH2 ARG 14 QH2 ARG 14 -8.490 -5.198 -5.617 137 H VAL 15 HN VAL 15 -2.706 -3.098 -2.078 138 HA VAL 15 HA VAL 15 -0.143 -4.662 -2.212 139 HB VAL 15 HB VAL 15 -1.177 -3.142 0.206 140 1HG1 VAL 15 1HG VAL 15 0.602 -4.850 0.563 141 2HG1 VAL 15 2HG VAL 15 1.607 -4.027 -0.625 142 3HG1 VAL 15 3HG VAL 15 1.202 -3.222 0.885 143 1HG2 VAL 15 3HG VAL 15 -0.922 -1.526 -1.660 144 2HG2 VAL 15 1HG VAL 15 0.314 -1.266 -0.439 145 3HG2 VAL 15 2HG VAL 15 0.711 -2.100 -1.937 146 QG1 VAL 15 QG1 VAL 15 1.137 -4.033 0.274 147 QG2 VAL 15 QG2 VAL 15 0.034 -1.631 -1.346 148 QQG VAL 15 QQG VAL 15 0.585 -2.831 -0.535 149 H ASN 16 HN ASN 16 -0.162 -6.600 -0.831 150 HA ASN 16 HA ASN 16 -2.926 -7.329 0.025 151 1HB ASN 16 2HB ASN 16 -0.603 -9.045 -0.887 152 2HB ASN 16 3HB ASN 16 -2.022 -9.704 -0.107 153 1HD2 ASN 16 2HD ASN 16 -2.336 -8.229 -3.907 154 2HD2 ASN 16 1HD ASN 16 -0.979 -7.841 -2.957 155 QB ASN 16 QB ASN 16 -1.313 -9.375 -0.497 156 QD2 ASN 16 QD2 ASN 16 -1.657 -8.035 -3.431 157 H VAL 17 HN VAL 17 -3.047 -8.654 1.924 158 HA VAL 17 HA VAL 17 -0.822 -8.226 3.834 159 HB VAL 17 HB VAL 17 -3.744 -7.924 4.608 160 1HG1 VAL 17 2HG VAL 17 -1.994 -8.499 6.332 161 2HG1 VAL 17 3HG VAL 17 -1.163 -7.012 5.913 162 3HG1 VAL 17 1HG VAL 17 -2.778 -6.951 6.616 163 1HG2 VAL 17 2HG VAL 17 -3.156 -6.123 2.987 164 2HG2 VAL 17 3HG VAL 17 -3.391 -5.483 4.605 165 3HG2 VAL 17 1HG VAL 17 -1.759 -5.696 3.969 166 QG1 VAL 17 QG1 VAL 17 -1.979 -7.487 6.288 167 QG2 VAL 17 QG2 VAL 17 -2.769 -5.767 3.853 168 QQG VAL 17 QQG VAL 17 -2.373 -6.628 5.071 169 H GLU 18 HN GLU 18 -0.198 -10.219 4.242 170 HA GLU 18 HA GLU 18 -2.281 -12.301 4.691 171 1HB GLU 18 2HB GLU 18 0.491 -12.342 3.523 172 2HB GLU 18 3HB GLU 18 -0.182 -13.798 4.235 173 1HG GLU 18 2HG GLU 18 -1.984 -13.871 2.679 174 2HG GLU 18 3HG GLU 18 -1.814 -12.169 2.273 175 QB GLU 18 QB GLU 18 0.155 -13.070 3.879 176 QG GLU 18 QG GLU 18 -1.899 -13.019 2.476 177 H ASP 19 HN ASP 19 0.414 -10.542 5.971 178 HA ASP 19 HA ASP 19 -0.117 -11.833 8.591 179 1HB ASP 19 2HB ASP 19 1.809 -12.967 8.110 180 2HB ASP 19 3HB ASP 19 2.566 -11.680 7.222 181 QB ASP 19 QB ASP 19 2.187 -12.323 7.666 182 H GLU 20 HN GLU 20 1.258 -10.634 10.173 183 HA GLU 20 HA GLU 20 0.103 -7.973 10.327 184 1HB GLU 20 2HB GLU 20 2.075 -9.448 12.125 185 2HB GLU 20 3HB GLU 20 1.146 -8.037 12.557 186 1HG GLU 20 2HG GLU 20 -0.255 -10.534 11.605 187 2HG GLU 20 3HG GLU 20 0.201 -10.351 13.287 188 QB GLU 20 QB GLU 20 1.610 -8.743 12.341 189 QG GLU 20 QG GLU 20 -0.028 -10.443 12.446 190 H ASN 21 HN ASN 21 3.292 -9.277 9.667 191 HA ASN 21 HA ASN 21 4.866 -6.925 9.940 192 1HB ASN 21 2HB ASN 21 6.070 -8.908 9.404 193 2HB ASN 21 3HB ASN 21 5.008 -9.296 8.057 194 1HD2 ASN 21 2HD ASN 21 6.812 -7.369 5.736 195 2HD2 ASN 21 1HD ASN 21 5.505 -8.431 6.014 196 QB ASN 21 QB ASN 21 5.540 -9.102 8.730 197 QD2 ASN 21 QD2 ASN 21 6.159 -7.899 5.874 198 H ASP 22 HN ASP 22 3.451 -8.242 7.053 199 HA ASP 22 HA ASP 22 3.785 -6.363 5.095 200 1HB ASP 22 2HB ASP 22 1.020 -7.526 5.617 201 2HB ASP 22 3HB ASP 22 1.779 -7.227 4.067 202 QB ASP 22 QB ASP 22 1.399 -7.376 4.842 203 H ILE 23 HN ILE 23 1.259 -6.331 7.566 204 HA ILE 23 HA ILE 23 0.095 -3.856 6.756 205 HB ILE 23 HB ILE 23 0.281 -5.039 9.564 206 1HG1 ILE 23 2HG ILE 23 -1.742 -5.357 7.318 207 2HG1 ILE 23 3HG ILE 23 -0.620 -6.595 7.870 208 1HG2 ILE 23 2HG ILE 23 -0.428 -2.616 9.418 209 2HG2 ILE 23 3HG ILE 23 -1.723 -3.100 8.324 210 3HG2 ILE 23 1HG ILE 23 -1.719 -3.664 9.990 211 1HD1 ILE 23 2HD ILE 23 -1.683 -6.565 10.095 212 2HD1 ILE 23 3HD ILE 23 -2.846 -5.377 9.507 213 3HD1 ILE 23 1HD ILE 23 -2.810 -6.995 8.817 214 QG1 ILE 23 QG1 ILE 23 -1.181 -5.976 7.594 215 QG2 ILE 23 QG2 ILE 23 -1.290 -3.127 9.243 216 QD1 ILE 23 QD1 ILE 23 -2.447 -6.312 9.473 217 H SER 24 HN SER 24 2.401 -4.472 9.450 218 HA SER 24 HA SER 24 3.117 -1.893 10.162 219 1HB SER 24 2HB SER 24 5.272 -3.948 9.487 220 2HB SER 24 3HB SER 24 5.313 -2.708 10.750 221 HG SER 24 HG SER 24 4.164 -5.174 10.768 222 QB SER 24 QB SER 24 5.293 -3.328 10.119 223 H GLU 25 HN GLU 25 4.614 -3.671 7.526 224 HA GLU 25 HA GLU 25 6.225 -1.643 6.421 225 1HB GLU 25 2HB GLU 25 4.869 -4.009 5.075 226 2HB GLU 25 3HB GLU 25 6.235 -3.143 4.421 227 1HG GLU 25 2HG GLU 25 7.111 -3.749 6.990 228 2HG GLU 25 3HG GLU 25 6.168 -5.172 6.559 229 QB GLU 25 QB GLU 25 5.553 -3.576 4.747 230 QG GLU 25 QG GLU 25 6.640 -4.461 6.774 231 H LEU 26 HN LEU 26 2.896 -2.566 5.220 232 HA LEU 26 HA LEU 26 3.048 -0.444 3.278 233 1HB LEU 26 2HB LEU 26 1.474 -2.226 2.846 234 2HB LEU 26 3HB LEU 26 0.744 -2.050 4.434 235 HG LEU 26 HG LEU 26 -0.053 0.157 3.881 236 1HD1 LEU 26 1HD LEU 26 1.193 -0.309 1.141 237 2HD1 LEU 26 2HD LEU 26 0.163 1.056 1.558 238 3HD1 LEU 26 3HD LEU 26 1.732 0.881 2.319 239 1HD2 LEU 26 2HD LEU 26 -1.478 -1.771 3.277 240 2HD2 LEU 26 3HD LEU 26 -1.717 -0.443 2.145 241 3HD2 LEU 26 1HD LEU 26 -0.730 -1.827 1.689 242 QB LEU 26 QB LEU 26 1.109 -2.138 3.640 243 QD1 LEU 26 QD1 LEU 26 1.030 0.543 1.673 244 QD2 LEU 26 QD2 LEU 26 -1.308 -1.347 2.370 245 QQD LEU 26 QQD LEU 26 -0.140 -0.402 2.021 246 H HIS 27 HN HIS 27 1.512 -0.816 6.436 247 HA HIS 27 HA HIS 27 0.266 1.600 6.878 248 1HB HIS 27 2HB HIS 27 1.603 -0.365 8.549 249 2HB HIS 27 3HB HIS 27 1.855 1.226 9.191 250 HD1 HIS 27 HD1 HIS 27 0.028 2.154 10.482 251 HD2 HIS 27 HD2 HIS 27 -1.340 -0.974 8.180 252 HE1 HIS 27 HE1 HIS 27 -2.387 1.786 11.127 253 QB HIS 27 QB HIS 27 1.729 0.431 8.869 254 H GLU 28 HN GLU 28 3.684 0.980 7.383 255 HA GLU 28 HA GLU 28 4.811 3.298 8.191 256 1HB GLU 28 2HB GLU 28 5.643 0.998 6.915 257 2HB GLU 28 3HB GLU 28 6.100 2.197 5.740 258 1HG GLU 28 2HG GLU 28 8.011 2.047 7.140 259 2HG GLU 28 3HG GLU 28 7.167 3.436 7.818 260 QB GLU 28 QB GLU 28 5.872 1.597 6.328 261 QG GLU 28 QG GLU 28 7.589 2.742 7.479 262 H LEU 29 HN LEU 29 3.759 2.675 4.888 263 HA LEU 29 HA LEU 29 4.469 5.052 3.582 264 1HB LEU 29 2HB LEU 29 3.623 3.126 2.380 265 2HB LEU 29 3HB LEU 29 2.092 3.202 3.224 266 HG LEU 29 HG LEU 29 1.563 5.348 2.127 267 1HD1 LEU 29 3HD LEU 29 4.176 4.887 0.635 268 2HD1 LEU 29 1HD LEU 29 3.003 6.152 0.275 269 3HD1 LEU 29 2HD LEU 29 3.880 6.176 1.800 270 1HD2 LEU 29 3HD LEU 29 2.415 3.127 0.227 271 2HD2 LEU 29 1HD LEU 29 0.878 3.214 1.080 272 3HD2 LEU 29 2HD LEU 29 1.264 4.402 -0.155 273 QB LEU 29 QB LEU 29 2.857 3.164 2.802 274 QD1 LEU 29 QD1 LEU 29 3.686 5.738 0.903 275 QD2 LEU 29 QD2 LEU 29 1.519 3.581 0.384 276 QQD LEU 29 QQD LEU 29 2.603 4.660 0.643 277 H ALA 30 HN ALA 30 1.502 4.360 5.377 278 HA ALA 30 HA ALA 30 -0.176 6.471 4.964 279 1HB ALA 30 3HB ALA 30 -0.540 4.769 6.730 280 2HB ALA 30 1HB ALA 30 0.715 5.517 7.714 281 3HB ALA 30 2HB ALA 30 -0.779 6.390 7.378 282 QB ALA 30 QB ALA 30 -0.201 5.559 7.274 283 H SER 31 HN SER 31 2.512 6.653 7.249 284 HA SER 31 HA SER 31 2.532 9.248 8.102 285 1HB SER 31 2HB SER 31 5.081 8.039 6.974 286 2HB SER 31 3HB SER 31 4.868 8.979 8.465 287 HG SER 31 HG SER 31 4.444 6.301 7.992 288 QB SER 31 QB SER 31 4.975 8.509 7.720 289 H THR 32 HN THR 32 3.802 8.142 5.018 290 HA THR 32 HA THR 32 3.774 10.954 3.996 291 HB THR 32 HB THR 32 5.448 10.003 2.267 292 HG1 THR 32 1HG THR 32 4.570 7.804 3.040 293 1HG2 THR 32 3HG THR 32 6.274 11.172 4.379 294 2HG2 THR 32 1HG THR 32 6.266 9.609 5.186 295 3HG2 THR 32 2HG THR 32 7.354 9.894 3.833 296 QG2 THR 32 QG2 THR 32 6.631 10.225 4.466 297 NH1 ARG 33 NH2 ARG 33 -4.629 9.508 0.595 298 NH2 ARG 33 NH1 ARG 33 -6.369 8.301 1.432 299 H ARG 33 HN ARG 33 1.416 9.856 4.111 300 HA ARG 33 HA ARG 33 0.722 8.230 1.822 301 1HB ARG 33 2HB ARG 33 -0.584 8.463 4.022 302 2HB ARG 33 3HB ARG 33 -1.197 9.976 3.384 303 1HG ARG 33 2HG ARG 33 -1.811 8.514 1.274 304 2HG ARG 33 3HG ARG 33 -1.644 7.163 2.385 305 1HD ARG 33 2HD ARG 33 -3.312 8.119 3.894 306 2HD ARG 33 3HD ARG 33 -3.414 9.576 2.904 307 HE ARG 33 HE ARG 33 -4.275 6.858 1.949 308 1HH1 ARG 33 2HH ARG 33 -3.633 9.675 0.546 309 2HH1 ARG 33 1HH ARG 33 -5.255 10.054 0.022 310 1HH2 ARG 33 2HH ARG 33 -6.704 7.599 2.064 311 2HH2 ARG 33 1HH ARG 33 -7.018 8.804 0.843 312 QB ARG 33 QB ARG 33 -0.890 9.219 3.702 313 QG ARG 33 QG ARG 33 -1.728 7.838 1.829 314 QD ARG 33 QD ARG 33 -3.363 8.848 3.400 315 QH1 ARG 33 QH2 ARG 33 -4.443 9.864 0.284 316 QH2 ARG 33 QH1 ARG 33 -6.861 8.201 1.453 317 H GLN 34 HN GLN 34 2.113 10.104 0.568 318 HA GLN 34 HA GLN 34 0.666 12.430 -0.325 319 1HB GLN 34 2HB GLN 34 3.058 12.262 -0.835 320 2HB GLN 34 3HB GLN 34 2.829 10.737 -1.674 321 1HG GLN 34 2HG GLN 34 1.280 13.073 -2.735 322 2HG GLN 34 3HG GLN 34 3.022 13.107 -2.983 323 1HE2 GLN 34 2HE GLN 34 2.616 10.993 -5.802 324 2HE2 GLN 34 1HE GLN 34 3.280 12.425 -5.177 325 QB GLN 34 QB GLN 34 2.943 11.499 -1.254 326 QG GLN 34 QG GLN 34 2.151 13.090 -2.859 327 QE2 GLN 34 QE2 GLN 34 2.948 11.709 -5.490 328 H ILE 35 HN ILE 35 0.921 9.140 -1.209 329 HA ILE 35 HA ILE 35 -0.745 9.005 -3.487 330 HB ILE 35 HB ILE 35 -0.961 6.554 -2.799 331 1HG1 ILE 35 2HG ILE 35 0.901 6.255 -0.804 332 2HG1 ILE 35 3HG ILE 35 0.110 7.732 -0.294 333 1HG2 ILE 35 3HG ILE 35 0.956 7.281 -4.147 334 2HG2 ILE 35 1HG ILE 35 1.839 7.687 -2.676 335 3HG2 ILE 35 2HG ILE 35 1.394 6.012 -3.009 336 1HD1 ILE 35 3HD ILE 35 -1.298 5.139 -0.962 337 2HD1 ILE 35 1HD ILE 35 -1.003 5.754 0.662 338 3HD1 ILE 35 2HD ILE 35 -2.092 6.612 -0.426 339 QG1 ILE 35 QG1 ILE 35 0.505 6.994 -0.549 340 QG2 ILE 35 QG2 ILE 35 1.396 6.993 -3.277 341 QD1 ILE 35 QD1 ILE 35 -1.464 5.836 -0.243 342 H ASP 36 HN ASP 36 -2.754 7.501 -3.406 343 HA ASP 36 HA ASP 36 -4.451 8.307 -1.121 344 1HB ASP 36 2HB ASP 36 -4.912 9.712 -3.227 345 2HB ASP 36 3HB ASP 36 -5.516 8.223 -3.942 346 QB ASP 36 QB ASP 36 -5.214 8.967 -3.585 347 H PHE 37 HN PHE 37 -6.269 6.990 -0.791 348 HA PHE 37 HA PHE 37 -5.759 4.185 -1.708 349 1HB PHE 37 2HB PHE 37 -7.242 5.160 0.764 350 2HB PHE 37 3HB PHE 37 -6.947 3.479 0.340 351 HD1 PHE 37 2HD PHE 37 -4.016 3.792 -0.625 352 HD2 PHE 37 1HD PHE 37 -6.072 5.247 2.813 353 HE1 PHE 37 2HE PHE 37 -1.939 3.733 0.673 354 HE2 PHE 37 1HE PHE 37 -3.982 5.192 4.093 355 HZ PHE 37 HZ PHE 37 -1.909 4.443 3.021 356 QB PHE 37 QB PHE 37 -7.094 4.320 0.551 357 QR PHE 37 QR PHE 37 -4.003 4.491 1.738 358 CH2 TRP 38 CH2 TRP 38 -10.867 1.843 -9.174 359 H TRP 38 HN TRP 38 -7.791 2.917 -1.927 360 HA TRP 38 HA TRP 38 -10.013 4.638 -2.983 361 1HB TRP 38 2HB TRP 38 -8.448 3.586 -4.665 362 2HB TRP 38 3HB TRP 38 -8.971 2.031 -4.113 363 HD1 TRP 38 HD1 TRP 38 -12.045 4.073 -4.244 364 HE1 TRP 38 HE1 TRP 38 -13.263 3.781 -6.421 365 HE3 TRP 38 HE3 TRP 38 -8.442 1.743 -6.792 366 HZ2 TRP 38 HZ2 TRP 38 -12.803 2.720 -8.951 367 HZ3 TRP 38 HZ3 TRP 38 -8.876 1.052 -9.131 368 HH2 TRP 38 HH2 TRP 38 -11.042 1.536 -10.196 369 QB TRP 38 QB TRP 38 -8.710 2.809 -4.389 370 H LYS 39 HN LYS 39 -9.125 1.382 -1.973 371 HA LYS 39 HA LYS 39 -11.716 1.118 -0.557 372 1HB LYS 39 2HB LYS 39 -10.530 -1.007 -2.375 373 2HB LYS 39 3HB LYS 39 -12.039 -1.138 -1.482 374 1HG LYS 39 2HG LYS 39 -13.061 0.636 -2.792 375 2HG LYS 39 3HG LYS 39 -11.538 1.026 -3.564 376 1HD LYS 39 2HD LYS 39 -12.917 -1.662 -3.848 377 2HD LYS 39 3HD LYS 39 -13.119 -0.347 -4.993 378 1HE LYS 39 2HE LYS 39 -10.487 -1.691 -4.277 379 2HE LYS 39 3HE LYS 39 -11.388 -1.946 -5.759 380 1HZ LYS 39 1HZ LYS 39 -10.974 0.826 -5.464 381 2HZ LYS 39 2HZ LYS 39 -9.480 0.040 -5.226 382 3HZ LYS 39 3HZ LYS 39 -10.344 -0.222 -6.655 383 QB LYS 39 QB LYS 39 -11.285 -1.072 -1.928 384 QG LYS 39 QG LYS 39 -12.299 0.831 -3.177 385 QD LYS 39 QD LYS 39 -13.018 -1.005 -4.421 386 QE LYS 39 QE LYS 39 -10.937 -1.819 -5.018 387 QZ LYS 39 QZ LYS 39 -10.266 0.215 -5.782 388 HA PRO 40 HA PRO 40 -12.126 1.242 1.361 389 1HB PRO 40 2HB PRO 40 -10.711 1.392 3.983 390 2HB PRO 40 3HB PRO 40 -12.406 1.009 3.643 391 1HG PRO 40 2HG PRO 40 -10.651 -0.915 4.406 392 2HG PRO 40 3HG PRO 40 -11.946 -1.268 3.252 393 1HD PRO 40 2HD PRO 40 -9.010 -0.777 2.712 394 2HD PRO 40 3HD PRO 40 -10.118 -1.920 1.920 395 QB PRO 40 QB PRO 40 -11.559 1.201 3.813 396 QG PRO 40 QG PRO 40 -11.299 -1.091 3.829 397 QD PRO 40 QD PRO 40 -9.564 -1.348 2.316 398 H ASP 41 HN ASP 41 -11.652 3.295 3.150 399 HA ASP 41 HA ASP 41 -10.107 5.159 1.498 400 1HB ASP 41 2HB ASP 41 -10.981 6.847 3.078 401 2HB ASP 41 3HB ASP 41 -12.277 5.824 2.485 402 QB ASP 41 QB ASP 41 -11.629 6.335 2.781 403 H SER 42 HN SER 42 -9.871 3.644 4.622 404 HA SER 42 HA SER 42 -7.197 4.921 5.015 405 1HB SER 42 2HB SER 42 -8.788 5.562 6.769 406 2HB SER 42 3HB SER 42 -9.213 3.867 7.048 407 HG SER 42 HG SER 42 -7.608 3.955 8.418 408 QB SER 42 QB SER 42 -9.001 4.714 6.909 409 H VAL 43 HN VAL 43 -6.009 3.480 6.668 410 HA VAL 43 HA VAL 43 -5.938 0.662 5.672 411 HB VAL 43 HB VAL 43 -4.027 2.016 4.835 412 1HG1 VAL 43 1HG VAL 43 -3.988 3.669 6.699 413 2HG1 VAL 43 2HG VAL 43 -3.376 2.419 7.781 414 3HG1 VAL 43 3HG VAL 43 -2.400 2.967 6.423 415 1HG2 VAL 43 3HG VAL 43 -3.647 -0.379 5.340 416 2HG2 VAL 43 1HG VAL 43 -2.197 0.562 5.674 417 3HG2 VAL 43 2HG VAL 43 -3.224 0.027 6.999 418 QG1 VAL 43 QG1 VAL 43 -3.255 3.018 6.967 419 QG2 VAL 43 QG2 VAL 43 -3.023 0.070 6.004 420 QQG VAL 43 QQG VAL 43 -3.138 1.544 6.486 421 H THR 44 HN THR 44 -5.903 2.877 8.291 422 HA THR 44 HA THR 44 -4.879 1.606 10.499 423 HB THR 44 HB THR 44 -6.874 2.675 11.766 424 HG1 THR 44 1HG THR 44 -8.506 3.184 10.511 425 1HG2 THR 44 2HG THR 44 -5.575 4.430 9.619 426 2HG2 THR 44 3HG THR 44 -6.291 4.994 11.123 427 3HG2 THR 44 1HG THR 44 -4.811 4.044 11.158 428 QG2 THR 44 QG2 THR 44 -5.559 4.489 10.634 429 H GLN 45 HN GLN 45 -8.010 0.981 9.071 430 HA GLN 45 HA GLN 45 -8.499 -1.245 10.947 431 1HB GLN 45 2HB GLN 45 -10.676 -1.261 9.278 432 2HB GLN 45 3HB GLN 45 -10.558 -0.313 10.742 433 1HG GLN 45 2HG GLN 45 -11.319 1.073 8.842 434 2HG GLN 45 3HG GLN 45 -9.779 1.643 9.453 435 1HE2 GLN 45 2HE GLN 45 -9.318 -0.537 6.030 436 2HE2 GLN 45 1HE GLN 45 -10.091 -1.237 7.371 437 QB GLN 45 QB GLN 45 -10.617 -0.787 10.010 438 QG GLN 45 QG GLN 45 -10.548 1.358 9.148 439 QE2 GLN 45 QE2 GLN 45 -9.704 -0.886 6.700 440 H ILE 46 HN ILE 46 -6.368 -1.887 9.454 441 HA ILE 46 HA ILE 46 -7.486 -3.994 7.631 442 HB ILE 46 HB ILE 46 -4.912 -2.464 7.328 443 1HG1 ILE 46 2HG ILE 46 -6.903 -1.228 6.648 444 2HG1 ILE 46 3HG ILE 46 -5.753 -1.520 5.351 445 1HG2 ILE 46 1HG ILE 46 -5.955 -4.767 5.688 446 2HG2 ILE 46 2HG ILE 46 -4.552 -3.787 5.273 447 3HG2 ILE 46 3HG ILE 46 -4.527 -4.791 6.716 448 1HD1 ILE 46 2HD ILE 46 -8.197 -3.181 5.944 449 2HD1 ILE 46 3HD ILE 46 -8.047 -1.986 4.659 450 3HD1 ILE 46 1HD ILE 46 -7.060 -3.442 4.621 451 QG1 ILE 46 QG1 ILE 46 -6.328 -1.374 6.000 452 QG2 ILE 46 QG2 ILE 46 -5.011 -4.448 5.892 453 QD1 ILE 46 QD1 ILE 46 -7.768 -2.869 5.075 454 H LYS 47 HN LYS 47 -6.834 -6.010 7.988 455 HA LYS 47 HA LYS 47 -4.586 -6.608 9.858 456 1HB LYS 47 2HB LYS 47 -7.361 -6.884 10.473 457 2HB LYS 47 3HB LYS 47 -6.741 -8.504 10.201 458 1HG LYS 47 2HG LYS 47 -6.526 -7.858 12.584 459 2HG LYS 47 3HG LYS 47 -4.946 -8.107 11.886 460 1HD LYS 47 2HD LYS 47 -4.957 -5.524 11.461 461 2HD LYS 47 3HD LYS 47 -6.281 -5.504 12.610 462 1HE LYS 47 2HE LYS 47 -4.251 -5.144 13.869 463 2HE LYS 47 3HE LYS 47 -4.785 -6.781 14.217 464 1HZ LYS 47 2HZ LYS 47 -3.095 -6.887 11.968 465 2HZ LYS 47 3HZ LYS 47 -2.324 -5.961 13.148 466 3HZ LYS 47 1HZ LYS 47 -2.832 -7.541 13.504 467 QB LYS 47 QB LYS 47 -7.051 -7.695 10.337 468 QG LYS 47 QG LYS 47 -5.736 -7.983 12.236 469 QD LYS 47 QD LYS 47 -5.619 -5.514 12.035 470 QE LYS 47 QE LYS 47 -4.518 -5.963 14.044 471 QZ LYS 47 QZ LYS 47 -2.750 -6.797 12.873 472 HA PRO 48 HA PRO 48 -3.340 -9.711 7.046 473 1HB PRO 48 2HB PRO 48 -4.073 -11.992 8.815 474 2HB PRO 48 3HB PRO 48 -2.509 -11.558 8.119 475 1HG PRO 48 2HG PRO 48 -3.065 -11.118 10.749 476 2HG PRO 48 3HG PRO 48 -2.007 -10.048 9.823 477 1HD PRO 48 2HD PRO 48 -4.843 -9.588 10.682 478 2HD PRO 48 3HD PRO 48 -3.542 -8.423 10.429 479 QB PRO 48 QB PRO 48 -3.291 -11.775 8.468 480 QG PRO 48 QG PRO 48 -2.536 -10.583 10.286 481 QD PRO 48 QD PRO 48 -4.192 -9.006 10.556 482 H HIS 49 HN HIS 49 -3.949 -11.347 5.547 483 HA HIS 49 HA HIS 49 -5.420 -12.432 4.082 484 1HB HIS 49 2HB HIS 49 -7.523 -12.367 6.239 485 2HB HIS 49 3HB HIS 49 -7.302 -13.555 4.982 486 HD1 HIS 49 HD1 HIS 49 -4.468 -14.325 5.352 487 HD2 HIS 49 HD2 HIS 49 -6.915 -13.753 8.609 488 HE1 HIS 49 HE1 HIS 49 -3.438 -15.612 7.254 489 QB HIS 49 QB HIS 49 -7.413 -12.961 5.610 490 H SER 50 HN SER 50 -5.114 -9.737 4.067 491 HA SER 50 HA SER 50 -7.701 -8.803 2.968 492 1HB SER 50 2HB SER 50 -7.546 -8.038 5.379 493 2HB SER 50 3HB SER 50 -6.077 -7.149 4.939 494 HG SER 50 HG SER 50 -8.601 -6.428 4.535 495 QB SER 50 QB SER 50 -6.812 -7.594 5.159 496 H THR 51 HN THR 51 -7.201 -6.452 1.982 497 HA THR 51 HA THR 51 -4.457 -6.181 0.963 498 HB THR 51 HB THR 51 -5.151 -6.254 -1.366 499 HG1 THR 51 1HG THR 51 -7.545 -5.839 -0.127 500 1HG2 THR 51 2HG THR 51 -4.956 -8.581 -0.323 501 2HG2 THR 51 3HG THR 51 -6.688 -8.509 -0.024 502 3HG2 THR 51 1HG THR 51 -6.079 -8.503 -1.672 503 QG2 THR 51 QG2 THR 51 -5.908 -8.531 -0.673 504 H VAL 52 HN VAL 52 -4.094 -4.049 0.013 505 HA VAL 52 HA VAL 52 -6.279 -2.085 0.638 506 HB VAL 52 HB VAL 52 -3.287 -1.526 0.513 507 1HG1 VAL 52 2HG VAL 52 -4.786 0.421 0.095 508 2HG1 VAL 52 3HG VAL 52 -5.632 0.086 1.601 509 3HG1 VAL 52 1HG VAL 52 -3.946 0.593 1.635 510 1HG2 VAL 52 1HG VAL 52 -5.092 -2.045 2.909 511 2HG2 VAL 52 2HG VAL 52 -3.745 -3.049 2.389 512 3HG2 VAL 52 3HG VAL 52 -3.450 -1.435 3.026 513 QG1 VAL 52 QG1 VAL 52 -4.789 0.367 1.110 514 QG2 VAL 52 QG2 VAL 52 -4.096 -2.176 2.775 515 QQG VAL 52 QQG VAL 52 -4.442 -0.905 1.943 516 H ASP 53 HN ASP 53 -6.979 -0.845 -1.063 517 HA ASP 53 HA ASP 53 -5.725 -1.375 -3.737 518 1HB ASP 53 2HB ASP 53 -8.187 -1.968 -2.974 519 2HB ASP 53 3HB ASP 53 -8.491 -0.267 -3.282 520 QB ASP 53 QB ASP 53 -8.339 -1.118 -3.128 521 H PHE 54 HN PHE 54 -5.133 0.370 -5.083 522 HA PHE 54 HA PHE 54 -5.441 3.155 -4.007 523 1HB PHE 54 2HB PHE 54 -3.015 2.068 -5.493 524 2HB PHE 54 3HB PHE 54 -3.173 3.670 -4.789 525 HD1 PHE 54 2HD PHE 54 -3.656 0.128 -3.542 526 HD2 PHE 54 1HD PHE 54 -1.869 3.940 -2.903 527 HE1 PHE 54 2HE PHE 54 -2.721 -0.666 -1.450 528 HE2 PHE 54 1HE PHE 54 -0.765 3.060 -0.890 529 HZ PHE 54 HZ PHE 54 -1.222 0.766 -0.133 530 QB PHE 54 QB PHE 54 -3.094 2.869 -5.142 531 QR PHE 54 QR PHE 54 -2.253 1.616 -2.196 532 NH1 ARG 55 NH1 ARG 55 -7.968 6.785 -4.524 533 NH2 ARG 55 NH2 ARG 55 -9.039 8.663 -5.217 534 H ARG 55 HN ARG 55 -4.593 4.691 -6.026 535 HA ARG 55 HA ARG 55 -5.879 3.608 -8.510 536 1HB ARG 55 2HB ARG 55 -6.310 6.347 -7.293 537 2HB ARG 55 3HB ARG 55 -6.905 5.854 -8.878 538 1HG ARG 55 2HG ARG 55 -8.163 3.994 -7.829 539 2HG ARG 55 3HG ARG 55 -7.563 4.467 -6.252 540 1HD ARG 55 2HD ARG 55 -9.507 5.927 -8.038 541 2HD ARG 55 3HD ARG 55 -9.696 5.492 -6.337 542 HE ARG 55 HE ARG 55 -7.956 7.696 -7.358 543 1HH1 ARG 55 2HH ARG 55 -7.573 5.899 -4.747 544 2HH1 ARG 55 1HH ARG 55 -7.962 7.113 -3.561 545 1HH2 ARG 55 2HH ARG 55 -9.438 9.194 -5.958 546 2HH2 ARG 55 1HH ARG 55 -9.053 9.024 -4.275 547 QB ARG 55 QB ARG 55 -6.607 6.101 -8.086 548 QG ARG 55 QG ARG 55 -7.862 4.230 -7.041 549 QD ARG 55 QD ARG 55 -9.602 5.709 -7.188 550 QH1 ARG 55 QH1 ARG 55 -7.768 6.506 -4.154 551 QH2 ARG 55 QH2 ARG 55 -9.246 9.109 -5.117 552 H VAL 56 HN VAL 56 -5.415 5.255 -10.402 553 HA VAL 56 HA VAL 56 -2.599 5.243 -10.773 554 HB VAL 56 HB VAL 56 -3.030 6.016 -12.926 555 1HG1 VAL 56 1HG VAL 56 -4.159 3.874 -12.598 556 2HG1 VAL 56 2HG VAL 56 -5.626 4.699 -12.095 557 3HG1 VAL 56 3HG VAL 56 -5.047 4.859 -13.744 558 1HG2 VAL 56 2HG VAL 56 -5.616 7.255 -11.919 559 2HG2 VAL 56 3HG VAL 56 -4.167 8.141 -12.375 560 3HG2 VAL 56 1HG VAL 56 -5.084 7.270 -13.596 561 QG1 VAL 56 QG1 VAL 56 -4.944 4.478 -12.813 562 QG2 VAL 56 QG2 VAL 56 -4.955 7.555 -12.630 563 QQG VAL 56 QQG VAL 56 -4.950 6.016 -12.721 564 H LYS 57 HN LYS 57 -1.198 6.973 -11.250 565 HA LYS 57 HA LYS 57 -1.803 9.712 -10.661 566 1HB LYS 57 2HB LYS 57 -0.458 9.766 -8.596 567 2HB LYS 57 3HB LYS 57 -1.881 8.790 -8.398 568 1HG LYS 57 2HG LYS 57 -0.170 6.859 -9.154 569 2HG LYS 57 3HG LYS 57 1.017 7.991 -8.528 570 1HD LYS 57 2HD LYS 57 -1.277 6.667 -7.066 571 2HD LYS 57 3HD LYS 57 0.435 6.620 -6.666 572 1HE LYS 57 2HE LYS 57 -1.400 9.039 -6.450 573 2HE LYS 57 3HE LYS 57 -0.723 8.110 -5.138 574 1HZ LYS 57 2HZ LYS 57 1.432 8.917 -6.712 575 2HZ LYS 57 3HZ LYS 57 0.442 10.281 -6.524 576 3HZ LYS 57 1HZ LYS 57 1.030 9.436 -5.163 577 QB LYS 57 QB LYS 57 -1.169 9.278 -8.497 578 QG LYS 57 QG LYS 57 0.423 7.424 -8.841 579 QD LYS 57 QD LYS 57 -0.422 6.644 -6.867 580 QE LYS 57 QE LYS 57 -1.061 8.575 -5.793 581 QZ LYS 57 QZ LYS 57 0.968 9.544 -6.133 582 H ALA 58 HN ALA 58 0.328 11.009 -10.874 583 HA ALA 58 HA ALA 58 2.559 9.360 -11.974 584 1HB ALA 58 1HB ALA 58 1.076 9.860 -13.830 585 2HB ALA 58 2HB ALA 58 1.187 11.583 -13.456 586 3HB ALA 58 3HB ALA 58 2.618 10.705 -13.998 587 QB ALA 58 QB ALA 58 1.626 10.716 -13.761 588 H GLU 59 HN GLU 59 2.299 10.920 -9.769 589 HA GLU 59 HA GLU 59 4.183 13.205 -10.225 590 1HB GLU 59 2HB GLU 59 2.969 12.827 -7.519 591 2HB GLU 59 3HB GLU 59 3.289 14.306 -8.403 592 1HG GLU 59 2HG GLU 59 0.911 14.109 -8.353 593 2HG GLU 59 3HG GLU 59 1.377 13.617 -9.975 594 QB GLU 59 QB GLU 59 3.129 13.566 -7.961 595 QG GLU 59 QG GLU 59 1.144 13.863 -9.164 596 H ASP 60 HN ASP 60 3.570 10.590 -7.879 597 HA ASP 60 HA ASP 60 6.518 10.620 -7.305 598 1HB ASP 60 2HB ASP 60 6.142 9.904 -5.067 599 2HB ASP 60 3HB ASP 60 5.004 11.205 -5.350 600 QB ASP 60 QB ASP 60 5.573 10.554 -5.209 601 H ILE 61 HN ILE 61 3.820 8.590 -8.119 602 HA ILE 61 HA ILE 61 3.767 6.153 -8.156 603 HB ILE 61 HB ILE 61 5.360 7.347 -10.436 604 1HG1 ILE 61 2HG ILE 61 2.936 7.959 -10.135 605 2HG1 ILE 61 3HG ILE 61 3.305 7.215 -11.684 606 1HG2 ILE 61 2HG ILE 61 4.326 4.490 -10.254 607 2HG2 ILE 61 3HG ILE 61 4.923 5.248 -11.724 608 3HG2 ILE 61 1HG ILE 61 6.011 4.968 -10.378 609 1HD1 ILE 61 3HD ILE 61 2.128 5.771 -9.279 610 2HD1 ILE 61 1HD ILE 61 1.247 6.251 -10.712 611 3HD1 ILE 61 2HD ILE 61 2.495 5.037 -10.836 612 QG1 ILE 61 QG1 ILE 61 3.120 7.587 -10.910 613 QG2 ILE 61 QG2 ILE 61 5.086 4.902 -10.785 614 QD1 ILE 61 QD1 ILE 61 1.957 5.687 -10.276 615 H LEU 62 HN LEU 62 6.946 6.675 -9.462 616 HA LEU 62 HA LEU 62 8.338 4.488 -8.861 617 1HB LEU 62 2HB LEU 62 9.344 6.511 -9.839 618 2HB LEU 62 3HB LEU 62 9.256 7.325 -8.286 619 HG LEU 62 HG LEU 62 10.784 5.537 -7.339 620 1HD1 LEU 62 2HD LEU 62 11.074 4.789 -10.279 621 2HD1 LEU 62 3HD LEU 62 12.043 4.153 -8.954 622 3HD1 LEU 62 1HD LEU 62 10.328 3.783 -9.036 623 1HD2 LEU 62 1HD LEU 62 11.837 7.131 -9.706 624 2HD2 LEU 62 2HD LEU 62 11.639 7.744 -8.067 625 3HD2 LEU 62 3HD LEU 62 12.818 6.478 -8.397 626 QB LEU 62 QB LEU 62 9.300 6.918 -9.063 627 QD1 LEU 62 QD1 LEU 62 11.148 4.242 -9.422 628 QD2 LEU 62 QD2 LEU 62 12.097 7.118 -8.724 629 QQD LEU 62 QQD LEU 62 11.623 5.680 -9.074 630 H ALA 63 HN ALA 63 7.872 7.010 -6.392 631 HA ALA 63 HA ALA 63 9.295 5.630 -4.349 632 1HB ALA 63 3HB ALA 63 6.967 7.591 -4.100 633 2HB ALA 63 1HB ALA 63 8.030 7.124 -2.773 634 3HB ALA 63 2HB ALA 63 8.679 8.007 -4.149 635 QB ALA 63 QB ALA 63 7.892 7.575 -3.673 636 H VAL 64 HN VAL 64 5.844 5.474 -5.163 637 HA VAL 64 HA VAL 64 5.229 3.750 -2.888 638 HB VAL 64 HB VAL 64 3.627 3.736 -5.453 639 1HG1 VAL 64 2HG VAL 64 2.910 3.642 -2.501 640 2HG1 VAL 64 3HG VAL 64 1.759 3.525 -3.829 641 3HG1 VAL 64 1HG VAL 64 2.966 2.266 -3.596 642 1HG2 VAL 64 3HG VAL 64 3.573 5.965 -3.387 643 2HG2 VAL 64 1HG VAL 64 4.143 6.117 -5.043 644 3HG2 VAL 64 2HG VAL 64 2.453 5.774 -4.733 645 QG1 VAL 64 QG1 VAL 64 2.544 3.144 -3.309 646 QG2 VAL 64 QG2 VAL 64 3.390 5.952 -4.387 647 QQG VAL 64 QQG VAL 64 2.967 4.548 -3.848 648 H GLU 65 HN GLU 65 5.639 3.339 -6.331 649 HA GLU 65 HA GLU 65 5.394 0.548 -6.586 650 1HB GLU 65 2HB GLU 65 7.284 2.428 -8.053 651 2HB GLU 65 3HB GLU 65 6.705 0.876 -8.644 652 1HG GLU 65 2HG GLU 65 4.650 2.907 -7.900 653 2HG GLU 65 3HG GLU 65 5.560 3.150 -9.384 654 QB GLU 65 QB GLU 65 6.994 1.653 -8.348 655 QG GLU 65 QG GLU 65 5.105 3.028 -8.642 656 H ASP 66 HN ASP 66 8.217 2.512 -5.820 657 HA ASP 66 HA ASP 66 10.068 0.304 -5.565 658 1HB ASP 66 2HB ASP 66 10.568 2.898 -5.922 659 2HB ASP 66 3HB ASP 66 10.471 2.960 -4.176 660 QB ASP 66 QB ASP 66 10.519 2.930 -5.049 661 H PHE 67 HN PHE 67 8.429 2.398 -3.220 662 HA PHE 67 HA PHE 67 9.385 1.224 -0.842 663 1HB PHE 67 2HB PHE 67 7.918 3.234 -0.919 664 2HB PHE 67 3HB PHE 67 6.559 2.212 -1.355 665 HD1 PHE 67 2HD PHE 67 8.934 3.038 1.366 666 HD2 PHE 67 1HD PHE 67 5.559 0.684 0.243 667 HE1 PHE 67 2HE PHE 67 8.684 2.263 3.689 668 HE2 PHE 67 1HE PHE 67 5.305 -0.051 2.561 669 HZ PHE 67 HZ PHE 67 6.898 0.666 4.271 670 QB PHE 67 QB PHE 67 7.239 2.723 -1.137 671 QR PHE 67 QR PHE 67 7.120 1.483 1.965 672 H LEU 68 HN LEU 68 6.805 0.234 -2.938 673 HA LEU 68 HA LEU 68 6.024 -2.037 -1.270 674 1HB LEU 68 2HB LEU 68 5.316 -1.278 -4.130 675 2HB LEU 68 3HB LEU 68 4.635 -2.664 -3.293 676 HG LEU 68 HG LEU 68 4.430 0.165 -2.196 677 1HD1 LEU 68 3HD LEU 68 3.289 -0.005 -4.404 678 2HD1 LEU 68 1HD LEU 68 2.403 -1.415 -3.833 679 3HD1 LEU 68 2HD LEU 68 2.123 0.160 -3.095 680 1HD2 LEU 68 3HD LEU 68 2.946 -2.436 -1.619 681 2HD2 LEU 68 1HD LEU 68 4.115 -1.667 -0.558 682 3HD2 LEU 68 2HD LEU 68 2.581 -0.881 -0.880 683 QB LEU 68 QB LEU 68 4.976 -1.970 -3.712 684 QD1 LEU 68 QD1 LEU 68 2.605 -0.420 -3.777 685 QD2 LEU 68 QD2 LEU 68 3.214 -1.661 -1.019 686 QQD LEU 68 QQD LEU 68 2.910 -1.041 -2.398 687 H GLU 69 HN GLU 69 7.892 -1.568 -4.226 688 HA GLU 69 HA GLU 69 8.318 -4.444 -4.531 689 1HB GLU 69 2HB GLU 69 8.146 -2.849 -6.468 690 2HB GLU 69 3HB GLU 69 9.662 -2.127 -5.964 691 1HG GLU 69 2HG GLU 69 10.922 -3.915 -6.698 692 2HG GLU 69 3HG GLU 69 9.674 -5.096 -6.313 693 QB GLU 69 QB GLU 69 8.903 -2.488 -6.216 694 QG GLU 69 QG GLU 69 10.298 -4.506 -6.506 695 H GLN 70 HN GLN 70 10.600 -1.758 -4.079 696 HA GLN 70 HA GLN 70 12.915 -3.119 -3.579 697 1HB GLN 70 2HB GLN 70 12.692 -0.657 -3.483 698 2HB GLN 70 3HB GLN 70 11.938 -0.785 -1.899 699 1HG GLN 70 2HG GLN 70 13.924 -1.585 -0.878 700 2HG GLN 70 3HG GLN 70 14.632 -2.064 -2.411 701 1HE2 GLN 70 2HE GLN 70 14.835 1.831 -2.817 702 2HE2 GLN 70 1HE GLN 70 13.539 0.862 -3.316 703 QB GLN 70 QB GLN 70 12.315 -0.721 -2.691 704 QG GLN 70 QG GLN 70 14.278 -1.824 -1.644 705 QE2 GLN 70 QE2 GLN 70 14.186 1.346 -3.066 706 H ASN 71 HN ASN 71 10.222 -2.934 -1.278 707 HA ASN 71 HA ASN 71 11.803 -4.515 0.664 708 1HB ASN 71 2HB ASN 71 8.951 -3.502 0.920 709 2HB ASN 71 3HB ASN 71 9.985 -4.093 2.206 710 1HD2 ASN 71 2HD ASN 71 10.128 -0.392 2.282 711 2HD2 ASN 71 1HD ASN 71 8.898 -1.547 2.432 712 QB ASN 71 QB ASN 71 9.468 -3.798 1.563 713 QD2 ASN 71 QD2 ASN 71 9.513 -0.970 2.356 714 H GLU 72 HN GLU 72 8.990 -4.820 -1.411 715 HA GLU 72 HA GLU 72 8.056 -6.800 -2.315 716 1HB GLU 72 2HB GLU 72 10.224 -8.040 -1.399 717 2HB GLU 72 3HB GLU 72 9.150 -8.521 -0.095 718 1HG GLU 72 2HG GLU 72 8.521 -8.955 -3.042 719 2HG GLU 72 3HG GLU 72 9.240 -10.180 -2.010 720 QB GLU 72 QB GLU 72 9.687 -8.280 -0.747 721 QG GLU 72 QG GLU 72 8.881 -9.567 -2.526 722 H LEU 73 HN LEU 73 6.409 -5.350 -1.369 723 HA LEU 73 HA LEU 73 5.221 -6.427 1.108 724 1HB LEU 73 2HB LEU 73 4.592 -3.911 -0.464 725 2HB LEU 73 3HB LEU 73 4.001 -4.320 1.128 726 HG LEU 73 HG LEU 73 6.881 -3.778 0.342 727 1HD1 LEU 73 3HD LEU 73 5.003 -2.385 2.278 728 2HD1 LEU 73 1HD LEU 73 6.699 -1.982 2.062 729 3HD1 LEU 73 2HD LEU 73 5.568 -1.743 0.744 730 1HD2 LEU 73 3HD LEU 73 5.780 -4.712 3.018 731 2HD2 LEU 73 1HD LEU 73 6.856 -5.623 1.971 732 3HD2 LEU 73 2HD LEU 73 7.427 -4.158 2.742 733 QB LEU 73 QB LEU 73 4.297 -4.115 0.332 734 QD1 LEU 73 QD1 LEU 73 5.757 -2.036 1.695 735 QD2 LEU 73 QD2 LEU 73 6.687 -4.831 2.577 736 QQD LEU 73 QQD LEU 73 6.222 -3.434 2.136 737 H GLN 74 HN GLN 74 4.933 -8.188 -0.775 738 HA GLN 74 HA GLN 74 3.438 -9.270 -2.291 739 1HB GLN 74 2HB GLN 74 1.689 -8.741 0.145 740 2HB GLN 74 3HB GLN 74 1.515 -10.076 -0.983 741 1HG GLN 74 2HG GLN 74 2.668 -10.865 1.036 742 2HG GLN 74 3HG GLN 74 3.798 -10.890 -0.316 743 1HE2 GLN 74 2HE GLN 74 6.040 -8.899 1.544 744 2HE2 GLN 74 1HE GLN 74 5.810 -10.259 0.551 745 QB GLN 74 QB GLN 74 1.602 -9.408 -0.419 746 QG GLN 74 QG GLN 74 3.232 -10.877 0.359 747 QE2 GLN 74 QE2 GLN 74 5.925 -9.579 1.048 748 OH TYR 75 OH TYR 75 7.368 -5.444 -6.197 749 H TYR 75 HN TYR 75 3.431 -7.055 -3.492 750 HA TYR 75 HA TYR 75 0.618 -6.043 -3.620 751 1HB TYR 75 2HB TYR 75 1.621 -3.956 -4.584 752 2HB TYR 75 3HB TYR 75 2.229 -4.283 -2.963 753 HD1 TYR 75 HD1 TYR 75 4.459 -5.601 -2.783 754 HD2 TYR 75 HD2 TYR 75 3.178 -3.719 -6.376 755 HE1 TYR 75 HE1 TYR 75 6.631 -6.059 -3.794 756 HE2 TYR 75 HE2 TYR 75 5.386 -4.120 -7.360 757 HH TYR 75 HH TYR 75 7.428 -5.053 -7.087 758 QB TYR 75 QB TYR 75 1.925 -4.119 -3.774 759 QR TYR 75 QR TYR 75 4.914 -4.875 -5.078 760 H GLU 76 HN GLU 76 -0.249 -5.678 -5.650 761 HA GLU 76 HA GLU 76 1.157 -6.944 -7.948 762 1HB GLU 76 2HB GLU 76 -1.160 -7.836 -8.656 763 2HB GLU 76 3HB GLU 76 -0.361 -8.680 -7.344 764 1HG GLU 76 2HG GLU 76 -2.385 -8.449 -6.302 765 2HG GLU 76 3HG GLU 76 -1.806 -6.836 -5.923 766 QB GLU 76 QB GLU 76 -0.761 -8.258 -7.999 767 QG GLU 76 QG GLU 76 -2.096 -7.643 -6.113 768 H VAL 77 HN VAL 77 0.121 -6.286 -10.030 769 HA VAL 77 HA VAL 77 -0.902 -3.481 -9.845 770 HB VAL 77 HB VAL 77 0.742 -4.666 -12.114 771 1HG1 VAL 77 3HG VAL 77 0.021 -1.820 -11.341 772 2HG1 VAL 77 1HG VAL 77 1.113 -2.250 -12.654 773 3HG1 VAL 77 2HG VAL 77 -0.580 -2.707 -12.729 774 1HG2 VAL 77 2HG VAL 77 1.717 -3.009 -9.742 775 2HG2 VAL 77 3HG VAL 77 2.124 -4.690 -10.062 776 3HG2 VAL 77 1HG VAL 77 2.687 -3.426 -11.148 777 QG1 VAL 77 QG1 VAL 77 0.184 -2.259 -12.241 778 QG2 VAL 77 QG2 VAL 77 2.175 -3.708 -10.318 779 QQG VAL 77 QQG VAL 77 1.180 -2.984 -11.280 780 H LEU 78 HN LEU 78 -2.895 -3.161 -10.789 781 HA LEU 78 HA LEU 78 -4.616 -5.145 -11.547 782 1HB LEU 78 2HB LEU 78 -4.322 -2.272 -12.388 783 2HB LEU 78 3HB LEU 78 -5.647 -3.243 -13.007 784 HG LEU 78 HG LEU 78 -5.963 -1.859 -10.822 785 1HD1 LEU 78 2HD LEU 78 -7.628 -3.435 -11.748 786 2HD1 LEU 78 3HD LEU 78 -6.777 -4.775 -10.985 787 3HD1 LEU 78 1HD LEU 78 -7.578 -3.561 -9.993 788 1HD2 LEU 78 2HD LEU 78 -4.647 -4.292 -9.627 789 2HD2 LEU 78 3HD LEU 78 -4.046 -2.638 -9.556 790 3HD2 LEU 78 1HD LEU 78 -5.538 -3.062 -8.747 791 QB LEU 78 QB LEU 78 -4.985 -2.758 -12.698 792 QD1 LEU 78 QD1 LEU 78 -7.328 -3.923 -10.908 793 QD2 LEU 78 QD2 LEU 78 -4.743 -3.331 -9.310 794 QQD LEU 78 QQD LEU 78 -6.035 -3.627 -10.109 795 H ILE 79 HN ILE 79 -2.394 -3.514 -13.824 796 HA ILE 79 HA ILE 79 -3.068 -5.590 -15.780 797 HB ILE 79 HB ILE 79 -1.992 -2.948 -16.721 798 1HG1 ILE 79 2HG ILE 79 -4.580 -2.265 -16.888 799 2HG1 ILE 79 3HG ILE 79 -4.698 -3.242 -15.436 800 1HG2 ILE 79 3HG ILE 79 -4.182 -4.806 -17.727 801 2HG2 ILE 79 1HG ILE 79 -3.555 -3.407 -18.591 802 3HG2 ILE 79 2HG ILE 79 -2.514 -4.788 -18.291 803 1HD1 ILE 79 2HD ILE 79 -2.902 -1.851 -14.382 804 2HD1 ILE 79 3HD ILE 79 -2.822 -0.881 -15.845 805 3HD1 ILE 79 1HD ILE 79 -4.283 -0.875 -14.867 806 QG1 ILE 79 QG1 ILE 79 -4.639 -2.753 -16.162 807 QG2 ILE 79 QG2 ILE 79 -3.417 -4.333 -18.203 808 QD1 ILE 79 QD1 ILE 79 -3.335 -1.203 -15.032 809 H ASN 80 HN ASN 80 -1.141 -5.327 -17.351 810 HA ASN 80 HA ASN 80 1.348 -5.540 -15.716 811 1HB ASN 80 2HB ASN 80 0.447 -7.724 -16.646 812 2HB ASN 80 3HB ASN 80 0.775 -7.094 -18.256 813 1HD2 ASN 80 2HD ASN 80 4.410 -6.918 -16.844 814 2HD2 ASN 80 1HD ASN 80 3.274 -5.662 -16.875 815 QB ASN 80 QB ASN 80 0.611 -7.409 -17.451 816 QD2 ASN 80 QD2 ASN 80 3.842 -6.290 -16.860 817 H ASN 81 HN ASN 81 0.754 -3.127 -16.596 818 HA ASN 81 HA ASN 81 2.812 -2.691 -18.687 819 1HB ASN 81 2HB ASN 81 0.560 -2.588 -19.818 820 2HB ASN 81 3HB ASN 81 0.117 -1.285 -18.712 821 1HD2 ASN 81 ASN 81 2.533 -0.480 -21.860 822 2HD2 ASN 81 1HD ASN 81 1.881 -2.029 -21.612 823 QB ASN 81 QB ASN 81 0.339 -1.936 -19.265 824 QD2 ASN 81 QD2 ASN 81 2.207 -1.255 -21.737 Start of MODEL 5 Raw file had 824 H/Q atoms Start of MODEL 5 1 1H HIS 1 HN1 HIS 1 9.068 -2.291 -19.829 2 2H HIS 1 HN2 HIS 1 8.022 -3.511 -20.226 3 3H HIS 1 HN3 HIS 1 8.656 -2.546 -21.412 4 HA HIS 1 HA HIS 1 6.959 -1.162 -21.257 5 1HB HIS 1 2HB HIS 1 6.155 -2.788 -18.819 6 2HB HIS 1 3HB HIS 1 5.128 -1.674 -19.682 7 HD1 HIS 1 HD1 HIS 1 4.208 -4.479 -19.450 8 HD2 HIS 1 HD2 HIS 1 6.457 -3.259 -22.678 9 HE1 HIS 1 HE1 HIS 1 3.743 -6.110 -21.306 10 QB HIS 1 QB HIS 1 5.642 -2.231 -19.251 11 H HIS 2 HN HIS 2 5.965 0.508 -19.738 12 HA HIS 2 HA HIS 2 7.980 1.362 -17.688 13 1HB HIS 2 2HB HIS 2 6.223 3.067 -19.489 14 2HB HIS 2 3HB HIS 2 7.234 3.690 -18.216 15 HD1 HIS 2 HD1 HIS 2 7.878 4.872 -20.682 16 HD2 HIS 2 HD2 HIS 2 9.571 1.230 -19.798 17 HE1 HIS 2 HE1 HIS 2 9.921 4.661 -22.145 18 QB HIS 2 QB HIS 2 6.728 3.379 -18.852 19 H SER 3 HN SER 3 6.787 3.011 -16.135 20 HA SER 3 HA SER 3 4.357 1.581 -15.229 21 1HB SER 3 2HB SER 3 4.671 2.982 -13.175 22 2HB SER 3 3HB SER 3 6.148 2.085 -13.570 23 HG SER 3 HG SER 3 5.486 4.754 -14.359 24 QB SER 3 QB SER 3 5.410 2.534 -13.372 25 H GLY 4 HN GLY 4 3.526 2.665 -17.404 26 1HA GLY 4 1HA GLY 4 1.342 4.132 -17.188 27 2HA GLY 4 2HA GLY 4 2.504 5.396 -16.825 28 QA GLY 4 QA GLY 4 1.923 4.764 -17.007 29 H GLU 5 HN GLU 5 0.655 5.369 -19.036 30 HA GLU 5 HA GLU 5 2.628 5.460 -21.289 31 1HB GLU 5 2HB GLU 5 0.009 4.718 -22.307 32 2HB GLU 5 3HB GLU 5 1.539 3.896 -22.509 33 1HG GLU 5 2HG GLU 5 -0.167 2.434 -21.454 34 2HG GLU 5 3HG GLU 5 1.223 2.674 -20.413 35 QB GLU 5 QB GLU 5 0.774 4.307 -22.408 36 QG GLU 5 QG GLU 5 0.528 2.555 -20.934 37 H HIS 6 HN HIS 6 -0.812 5.928 -21.041 38 HA HIS 6 HA HIS 6 -0.537 8.831 -21.629 39 1HB HIS 6 2HB HIS 6 -2.658 7.012 -22.797 40 2HB HIS 6 3HB HIS 6 -2.426 8.703 -23.144 41 HD1 HIS 6 HD1 HIS 6 0.787 8.082 -23.307 42 HD2 HIS 6 HD2 HIS 6 -2.194 6.459 -25.645 43 HE1 HIS 6 HE1 HIS 6 1.868 7.375 -25.470 44 QB HIS 6 QB HIS 6 -2.543 7.857 -22.970 45 H PHE 7 HN PHE 7 -2.442 6.188 -20.228 46 HA PHE 7 HA PHE 7 -4.384 8.059 -19.034 47 1HB PHE 7 2HB PHE 7 -4.871 5.582 -19.637 48 2HB PHE 7 3HB PHE 7 -3.929 5.163 -18.212 49 HD1 PHE 7 2HD PHE 7 -4.756 5.786 -15.936 50 HD2 PHE 7 1HD PHE 7 -7.041 6.687 -19.421 51 HE1 PHE 7 2HE PHE 7 -6.682 6.350 -14.529 52 HE2 PHE 7 1HE PHE 7 -8.970 7.241 -18.007 53 HZ PHE 7 HZ PHE 7 -8.803 7.056 -15.563 54 QB PHE 7 QB PHE 7 -4.400 5.373 -18.924 55 QR PHE 7 QR PHE 7 -6.862 6.516 -16.973 56 H GLU 8 HN GLU 8 -2.451 9.285 -18.282 57 HA GLU 8 HA GLU 8 -1.183 8.150 -15.863 58 1HB GLU 8 2HB GLU 8 -0.536 10.666 -17.453 59 2HB GLU 8 3HB GLU 8 0.466 9.944 -16.197 60 1HG GLU 8 2HG GLU 8 -0.314 8.566 -18.799 61 2HG GLU 8 3HG GLU 8 1.262 9.260 -18.453 62 QB GLU 8 QB GLU 8 -0.035 10.305 -16.825 63 QG GLU 8 QG GLU 8 0.474 8.913 -18.626 64 H GLY 9 HN GLY 9 -0.579 10.613 -14.612 65 1HA GLY 9 1HA GLY 9 -1.572 12.241 -13.223 66 2HA GLY 9 2HA GLY 9 -3.089 11.992 -14.090 67 QA GLY 9 QA GLY 9 -2.331 12.117 -13.657 68 H GLU 10 HN GLU 10 -4.270 9.961 -13.589 69 HA GLU 10 HA GLU 10 -3.833 9.149 -10.732 70 1HB GLU 10 2HB GLU 10 -6.414 9.609 -12.260 71 2HB GLU 10 3HB GLU 10 -6.354 8.759 -10.719 72 1HG GLU 10 2HG GLU 10 -5.264 11.566 -11.148 73 2HG GLU 10 3HG GLU 10 -6.843 11.215 -10.450 74 QB GLU 10 QB GLU 10 -6.383 9.184 -11.490 75 QG GLU 10 QG GLU 10 -6.054 11.390 -10.799 76 H LYS 11 HN LYS 11 -3.648 7.002 -10.357 77 HA LYS 11 HA LYS 11 -4.594 5.109 -12.444 78 1HB LYS 11 2HB LYS 11 -1.803 5.035 -11.220 79 2HB LYS 11 3HB LYS 11 -2.429 3.900 -12.409 80 1HG LYS 11 2HG LYS 11 -2.880 6.260 -13.713 81 2HG LYS 11 3HG LYS 11 -1.485 6.706 -12.753 82 1HD LYS 11 2HD LYS 11 -0.487 5.888 -14.702 83 2HD LYS 11 3HD LYS 11 -0.442 4.473 -13.661 84 1HE LYS 11 2HE LYS 11 -1.995 3.342 -14.913 85 2HE LYS 11 3HE LYS 11 -2.940 4.785 -15.241 86 1HZ LYS 11 1HZ LYS 11 -0.407 4.942 -16.546 87 2HZ LYS 11 2HZ LYS 11 -1.227 3.514 -17.004 88 3HZ LYS 11 3HZ LYS 11 -1.958 5.035 -17.181 89 QB LYS 11 QB LYS 11 -2.115 4.468 -11.814 90 QG LYS 11 QG LYS 11 -2.182 6.483 -13.233 91 QD LYS 11 QD LYS 11 -0.465 5.181 -14.181 92 QE LYS 11 QE LYS 11 -2.467 4.063 -15.077 93 QZ LYS 11 QZ LYS 11 -1.197 4.497 -16.910 94 H VAL 12 HN VAL 12 -4.476 2.727 -11.509 95 HA VAL 12 HA VAL 12 -4.892 2.901 -8.520 96 HB VAL 12 HB VAL 12 -7.032 2.595 -9.697 97 1HG1 VAL 12 3HG VAL 12 -5.728 0.100 -10.833 98 2HG1 VAL 12 1HG VAL 12 -7.445 0.472 -10.948 99 3HG1 VAL 12 2HG VAL 12 -6.266 1.514 -11.727 100 1HG2 VAL 12 2HG VAL 12 -6.740 1.514 -7.480 101 2HG2 VAL 12 3HG VAL 12 -7.819 0.586 -8.512 102 3HG2 VAL 12 1HG VAL 12 -6.163 0.050 -8.271 103 QG1 VAL 12 QG1 VAL 12 -6.480 0.695 -11.170 104 QG2 VAL 12 QG2 VAL 12 -6.907 0.717 -8.088 105 QQG VAL 12 QQG VAL 12 -6.693 0.706 -9.629 106 H PHE 13 HN PHE 13 -4.490 0.846 -7.347 107 HA PHE 13 HA PHE 13 -2.586 -1.017 -8.726 108 1HB PHE 13 2HB PHE 13 -1.994 0.922 -6.606 109 2HB PHE 13 3HB PHE 13 -1.639 -0.711 -6.080 110 HD1 PHE 13 1HD PHE 13 -1.239 0.825 -9.493 111 HD2 PHE 13 2HD PHE 13 0.674 -0.852 -6.094 112 HE1 PHE 13 1HE PHE 13 0.919 0.980 -10.634 113 HE2 PHE 13 2HE PHE 13 2.835 -0.646 -7.215 114 HZ PHE 13 HZ PHE 13 2.974 0.280 -9.480 115 QB PHE 13 QB PHE 13 -1.816 0.105 -6.343 116 QR PHE 13 QR PHE 13 0.797 0.076 -8.359 117 NH1 ARG 14 NH1 ARG 14 -2.407 -8.383 -7.246 118 NH2 ARG 14 NH2 ARG 14 -3.419 -9.821 -8.704 119 H ARG 14 HN ARG 14 -2.301 -3.081 -7.498 120 HA ARG 14 HA ARG 14 -4.584 -3.595 -5.579 121 1HB ARG 14 2HB ARG 14 -5.048 -4.814 -7.654 122 2HB ARG 14 3HB ARG 14 -3.402 -5.436 -7.736 123 1HG ARG 14 2HG ARG 14 -3.772 -6.762 -5.684 124 2HG ARG 14 3HG ARG 14 -5.361 -6.054 -5.481 125 1HD ARG 14 2HD ARG 14 -5.393 -8.379 -6.473 126 2HD ARG 14 3HD ARG 14 -6.204 -7.170 -7.460 127 HE ARG 14 HE ARG 14 -4.474 -7.403 -9.101 128 1HH1 ARG 14 2HH ARG 14 -2.400 -7.503 -6.772 129 2HH1 ARG 14 1HH ARG 14 -1.648 -9.035 -7.104 130 1HH2 ARG 14 2HH ARG 14 -4.193 -10.049 -9.288 131 2HH2 ARG 14 1HH ARG 14 -2.649 -10.474 -8.607 132 QB ARG 14 QB ARG 14 -4.225 -5.125 -7.696 133 QG ARG 14 QG ARG 14 -4.567 -6.408 -5.583 134 QD ARG 14 QD ARG 14 -5.798 -7.774 -6.966 135 QH1 ARG 14 QH1 ARG 14 -2.025 -8.268 -6.938 136 QH2 ARG 14 QH2 ARG 14 -3.420 -10.261 -8.948 137 H VAL 15 HN VAL 15 -3.494 -3.485 -3.653 138 HA VAL 15 HA VAL 15 -0.842 -4.849 -3.356 139 HB VAL 15 HB VAL 15 -2.354 -2.917 -1.546 140 1HG1 VAL 15 2HG VAL 15 0.477 -4.011 -1.291 141 2HG1 VAL 15 3HG VAL 15 -0.238 -2.777 -0.256 142 3HG1 VAL 15 1HG VAL 15 -0.872 -4.420 -0.236 143 1HG2 VAL 15 2HG VAL 15 -1.500 -1.911 -3.656 144 2HG2 VAL 15 3HG VAL 15 -0.647 -1.280 -2.255 145 3HG2 VAL 15 1HG VAL 15 0.117 -2.493 -3.278 146 QG1 VAL 15 QG1 VAL 15 -0.211 -3.736 -0.594 147 QG2 VAL 15 QG2 VAL 15 -0.677 -1.895 -3.064 148 QQG VAL 15 QQG VAL 15 -0.443 -2.815 -1.829 149 H ASN 16 HN ASN 16 -0.566 -6.588 -1.869 150 HA ASN 16 HA ASN 16 -3.127 -7.479 -0.576 151 1HB ASN 16 2HB ASN 16 -2.003 -8.911 -2.525 152 2HB ASN 16 3HB ASN 16 -0.967 -9.469 -1.212 153 1HD2 ASN 16 2HD ASN 16 -3.495 -11.536 0.119 154 2HD2 ASN 16 1HD ASN 16 -1.836 -11.194 -0.008 155 QB ASN 16 QB ASN 16 -1.484 -9.190 -1.868 156 QD2 ASN 16 QD2 ASN 16 -2.665 -11.366 0.056 157 H VAL 17 HN VAL 17 -2.752 -8.911 1.320 158 HA VAL 17 HA VAL 17 -0.341 -8.038 2.860 159 HB VAL 17 HB VAL 17 -3.191 -8.378 3.883 160 1HG1 VAL 17 1HG VAL 17 -1.308 -8.847 5.520 161 2HG1 VAL 17 2HG VAL 17 -0.782 -7.191 5.283 162 3HG1 VAL 17 3HG VAL 17 -2.361 -7.516 5.975 163 1HG2 VAL 17 1HG VAL 17 -1.555 -5.862 3.384 164 2HG2 VAL 17 2HG VAL 17 -2.958 -6.375 2.454 165 3HG2 VAL 17 3HG VAL 17 -3.145 -5.902 4.140 166 QG1 VAL 17 QG1 VAL 17 -1.484 -7.851 5.592 167 QG2 VAL 17 QG2 VAL 17 -2.553 -6.047 3.326 168 QQG VAL 17 QQG VAL 17 -2.018 -6.948 4.459 169 H GLU 18 HN GLU 18 0.810 -9.708 3.610 170 HA GLU 18 HA GLU 18 -0.452 -12.386 3.775 171 1HB GLU 18 2HB GLU 18 2.460 -11.506 3.748 172 2HB GLU 18 3HB GLU 18 1.897 -13.154 3.784 173 1HG GLU 18 2HG GLU 18 1.506 -11.149 1.553 174 2HG GLU 18 3HG GLU 18 2.427 -12.644 1.485 175 QB GLU 18 QB GLU 18 2.179 -12.329 3.766 176 QG GLU 18 QG GLU 18 1.967 -11.897 1.520 177 H ASP 19 HN ASP 19 1.516 -10.025 5.492 178 HA ASP 19 HA ASP 19 0.824 -11.416 8.075 179 1HB ASP 19 2HB ASP 19 3.527 -10.132 7.508 180 2HB ASP 19 3HB ASP 19 3.077 -11.048 8.936 181 QB ASP 19 QB ASP 19 3.303 -10.591 8.222 182 H GLU 20 HN GLU 20 2.157 -9.525 9.690 183 HA GLU 20 HA GLU 20 0.300 -7.311 9.531 184 1HB GLU 20 2HB GLU 20 2.727 -7.839 11.299 185 2HB GLU 20 3HB GLU 20 1.537 -6.596 11.561 186 1HG GLU 20 2HG GLU 20 0.993 -8.489 13.002 187 2HG GLU 20 3HG GLU 20 -0.237 -8.373 11.748 188 QB GLU 20 QB GLU 20 2.132 -7.218 11.430 189 QG GLU 20 QG GLU 20 0.378 -8.431 12.375 190 H ASN 21 HN ASN 21 3.617 -8.018 8.790 191 HA ASN 21 HA ASN 21 4.822 -5.542 8.439 192 1HB ASN 21 2HB ASN 21 6.051 -7.570 7.935 193 2HB ASN 21 3HB ASN 21 4.913 -8.022 6.669 194 1HD2 ASN 21 2HD ASN 21 6.573 -6.090 4.216 195 2HD2 ASN 21 1HD ASN 21 5.310 -7.184 4.547 196 QB ASN 21 QB ASN 21 5.482 -7.796 7.301 197 QD2 ASN 21 QD2 ASN 21 5.942 -6.638 4.381 198 H ASP 22 HN ASP 22 2.939 -7.238 6.025 199 HA ASP 22 HA ASP 22 2.939 -5.238 4.033 200 1HB ASP 22 2HB ASP 22 0.934 -7.427 4.626 201 2HB ASP 22 3HB ASP 22 1.206 -6.706 3.064 202 QB ASP 22 QB ASP 22 1.070 -7.066 3.846 203 H ILE 23 HN ILE 23 1.276 -5.235 6.960 204 HA ILE 23 HA ILE 23 -0.739 -3.241 5.993 205 HB ILE 23 HB ILE 23 -0.456 -4.452 8.784 206 1HG1 ILE 23 2HG ILE 23 -2.350 -5.333 6.587 207 2HG1 ILE 23 3HG ILE 23 -0.828 -6.139 6.933 208 1HG2 ILE 23 2HG ILE 23 -1.739 -2.327 8.591 209 2HG2 ILE 23 3HG ILE 23 -2.778 -3.059 7.373 210 3HG2 ILE 23 1HG ILE 23 -2.789 -3.666 9.025 211 1HD1 ILE 23 2HD ILE 23 -1.553 -6.536 9.261 212 2HD1 ILE 23 3HD ILE 23 -3.100 -5.776 8.902 213 3HD1 ILE 23 1HD ILE 23 -2.641 -7.276 8.100 214 QG1 ILE 23 QG1 ILE 23 -1.589 -5.736 6.760 215 QG2 ILE 23 QG2 ILE 23 -2.435 -3.017 8.330 216 QD1 ILE 23 QD1 ILE 23 -2.431 -6.529 8.755 217 H SER 24 HN SER 24 1.421 -3.755 8.728 218 HA SER 24 HA SER 24 1.643 -1.205 9.793 219 1HB SER 24 2HB SER 24 4.026 -3.072 9.305 220 2HB SER 24 3HB SER 24 3.784 -1.965 10.678 221 HG SER 24 HG SER 24 2.642 -4.453 10.169 222 QB SER 24 QB SER 24 3.905 -2.519 9.992 223 H GLU 25 HN GLU 25 3.410 -2.588 7.066 224 HA GLU 25 HA GLU 25 5.013 -0.418 6.298 225 1HB GLU 25 2HB GLU 25 3.670 -2.705 4.886 226 2HB GLU 25 3HB GLU 25 4.346 -1.436 3.886 227 1HG GLU 25 2HG GLU 25 5.996 -2.623 6.116 228 2HG GLU 25 3HG GLU 25 5.888 -3.451 4.574 229 QB GLU 25 QB GLU 25 4.008 -2.071 4.385 230 QG GLU 25 QG GLU 25 5.942 -3.037 5.346 231 H LEU 26 HN LEU 26 1.593 -1.034 5.343 232 HA LEU 26 HA LEU 26 1.357 1.283 3.730 233 1HB LEU 26 2HB LEU 26 -0.563 -0.477 5.284 234 2HB LEU 26 3HB LEU 26 -1.109 0.845 4.320 235 HG LEU 26 HG LEU 26 0.523 -1.479 3.281 236 1HD1 LEU 26 3HD LEU 26 -2.428 -0.822 2.942 237 2HD1 LEU 26 1HD LEU 26 -1.581 -2.149 2.157 238 3HD1 LEU 26 2HD LEU 26 -1.774 -2.141 3.903 239 1HD2 LEU 26 3HD LEU 26 -0.852 0.803 1.814 240 2HD2 LEU 26 1HD LEU 26 0.883 0.579 1.955 241 3HD2 LEU 26 2HD LEU 26 -0.077 -0.570 1.041 242 QB LEU 26 QB LEU 26 -0.836 0.184 4.802 243 QD1 LEU 26 QD1 LEU 26 -1.928 -1.704 3.001 244 QD2 LEU 26 QD2 LEU 26 -0.015 0.270 1.603 245 QQD LEU 26 QQD LEU 26 -0.971 -0.717 2.302 246 H HIS 27 HN HIS 27 0.936 0.646 7.153 247 HA HIS 27 HA HIS 27 -0.250 3.182 7.846 248 1HB HIS 27 2HB HIS 27 1.437 1.261 9.471 249 2HB HIS 27 3HB HIS 27 0.632 2.631 10.152 250 HD1 HIS 27 HD1 HIS 27 -0.824 1.227 11.577 251 HD2 HIS 27 HD2 HIS 27 -1.347 0.284 7.617 252 HE1 HIS 27 HE1 HIS 27 -2.875 -0.242 11.466 253 QB HIS 27 QB HIS 27 1.035 1.946 9.811 254 H GLU 28 HN GLU 28 3.131 2.034 8.026 255 HA GLU 28 HA GLU 28 4.467 4.127 9.061 256 1HB GLU 28 2HB GLU 28 4.984 2.132 6.836 257 2HB GLU 28 3HB GLU 28 6.209 3.050 7.581 258 1HG GLU 28 2HG GLU 28 4.430 1.336 9.260 259 2HG GLU 28 3HG GLU 28 5.855 0.672 8.481 260 QB GLU 28 QB GLU 28 5.596 2.590 7.208 261 QG GLU 28 QG GLU 28 5.143 1.004 8.870 262 H LEU 29 HN LEU 29 3.434 3.673 5.718 263 HA LEU 29 HA LEU 29 4.749 5.982 4.633 264 1HB LEU 29 2HB LEU 29 3.351 3.805 3.642 265 2HB LEU 29 3HB LEU 29 2.246 5.116 3.302 266 HG LEU 29 HG LEU 29 3.835 4.580 1.419 267 1HD1 LEU 29 3HD LEU 29 2.866 6.842 1.589 268 2HD1 LEU 29 1HD LEU 29 4.227 7.355 2.580 269 3HD1 LEU 29 2HD LEU 29 4.483 6.876 0.904 270 1HD2 LEU 29 2HD LEU 29 5.805 4.045 2.846 271 2HD2 LEU 29 3HD LEU 29 6.173 5.193 1.576 272 3HD2 LEU 29 1HD LEU 29 5.977 5.748 3.229 273 QB LEU 29 QB LEU 29 2.799 4.461 3.472 274 QD1 LEU 29 QD1 LEU 29 3.859 7.025 1.691 275 QD2 LEU 29 QD2 LEU 29 5.985 4.995 2.550 276 QQD LEU 29 QQD LEU 29 4.922 6.010 2.121 277 H ALA 30 HN ALA 30 1.582 5.551 6.143 278 HA ALA 30 HA ALA 30 0.195 7.838 5.382 279 1HB ALA 30 2HB ALA 30 -0.662 6.228 7.062 280 2HB ALA 30 3HB ALA 30 0.508 6.826 8.235 281 3HB ALA 30 1HB ALA 30 -0.785 7.879 7.663 282 QB ALA 30 QB ALA 30 -0.313 6.977 7.653 283 H SER 31 HN SER 31 2.772 7.632 7.766 284 HA SER 31 HA SER 31 3.042 10.099 8.856 285 1HB SER 31 2HB SER 31 5.374 8.688 7.503 286 2HB SER 31 3HB SER 31 5.424 9.705 8.961 287 HG SER 31 HG SER 31 4.712 7.094 8.707 288 QB SER 31 QB SER 31 5.399 9.197 8.233 289 H THR 32 HN THR 32 4.234 9.346 5.569 290 HA THR 32 HA THR 32 4.377 12.296 5.069 291 HB THR 32 HB THR 32 5.948 11.578 3.161 292 HG1 THR 32 1HG THR 32 6.149 9.472 2.878 293 1HG2 THR 32 3HG THR 32 6.883 12.188 5.462 294 2HG2 THR 32 1HG THR 32 6.725 10.496 5.918 295 3HG2 THR 32 2HG THR 32 7.840 10.961 4.638 296 QG2 THR 32 QG2 THR 32 7.150 11.215 5.339 297 NH1 ARG 33 NH1 ARG 33 -2.216 10.854 0.372 298 NH2 ARG 33 NH2 ARG 33 -4.327 11.493 0.919 299 H ARG 33 HN ARG 33 2.403 9.814 4.698 300 HA ARG 33 HA ARG 33 0.934 8.999 3.015 301 1HB ARG 33 2HB ARG 33 0.153 11.207 4.434 302 2HB ARG 33 3HB ARG 33 -0.132 11.755 2.786 303 1HG ARG 33 2HG ARG 33 -1.314 9.486 2.414 304 2HG ARG 33 3HG ARG 33 -1.264 9.302 4.160 305 1HD ARG 33 2HD ARG 33 -3.421 10.266 3.496 306 2HD ARG 33 3HD ARG 33 -2.502 11.463 4.407 307 HE ARG 33 HE ARG 33 -2.335 12.775 2.417 308 1HH1 ARG 33 2HH ARG 33 -1.241 10.771 0.624 309 2HH1 ARG 33 1HH ARG 33 -2.528 10.494 -0.512 310 1HH2 ARG 33 2HH ARG 33 -4.947 11.928 1.569 311 2HH2 ARG 33 1HH ARG 33 -4.695 11.103 0.058 312 QB ARG 33 QB ARG 33 0.010 11.480 3.611 313 QG ARG 33 QG ARG 33 -1.289 9.394 3.288 314 QD ARG 33 QD ARG 33 -2.962 10.865 3.951 315 QH1 ARG 33 QH1 ARG 33 -1.884 10.633 0.055 316 QH2 ARG 33 QH2 ARG 33 -4.820 11.516 0.814 317 H GLN 34 HN GLN 34 3.303 9.596 1.642 318 HA GLN 34 HA GLN 34 2.960 11.305 -0.618 319 1HB GLN 34 2HB GLN 34 4.668 8.832 -0.177 320 2HB GLN 34 3HB GLN 34 4.758 9.793 -1.647 321 1HG GLN 34 2HG GLN 34 5.532 11.719 -0.479 322 2HG GLN 34 3HG GLN 34 5.018 11.089 1.079 323 1HE2 GLN 34 2HE GLN 34 8.691 10.121 -0.334 324 2HE2 GLN 34 1HE GLN 34 7.661 11.151 -1.206 325 QB GLN 34 QB GLN 34 4.713 9.313 -0.913 326 QG GLN 34 QG GLN 34 5.275 11.404 0.300 327 QE2 GLN 34 QE2 GLN 34 8.176 10.635 -0.770 328 H ILE 35 HN ILE 35 1.543 8.354 0.132 329 HA ILE 35 HA ILE 35 0.590 7.942 -2.670 330 HB ILE 35 HB ILE 35 0.136 5.586 -1.966 331 1HG1 ILE 35 2HG ILE 35 1.548 4.973 0.229 332 2HG1 ILE 35 3HG ILE 35 1.168 6.630 0.653 333 1HG2 ILE 35 1HG ILE 35 2.988 6.485 -1.507 334 2HG2 ILE 35 2HG ILE 35 2.480 4.833 -1.835 335 3HG2 ILE 35 3HG ILE 35 2.259 6.077 -3.060 336 1HD1 ILE 35 3HD ILE 35 -0.939 4.603 -0.138 337 2HD1 ILE 35 1HD ILE 35 -0.487 4.980 1.515 338 3HD1 ILE 35 2HD ILE 35 -1.213 6.212 0.502 339 QG1 ILE 35 QG1 ILE 35 1.357 5.802 0.441 340 QG2 ILE 35 QG2 ILE 35 2.576 5.798 -2.133 341 QD1 ILE 35 QD1 ILE 35 -0.880 5.265 0.626 342 H ASP 36 HN ASP 36 -1.595 6.608 -2.426 343 HA ASP 36 HA ASP 36 -3.224 7.774 -0.247 344 1HB ASP 36 2HB ASP 36 -3.305 8.633 -2.989 345 2HB ASP 36 3HB ASP 36 -4.807 7.786 -2.623 346 QB ASP 36 QB ASP 36 -4.055 8.209 -2.806 347 H PHE 37 HN PHE 37 -5.513 6.747 -0.472 348 HA PHE 37 HA PHE 37 -5.193 3.859 -1.194 349 1HB PHE 37 2HB PHE 37 -6.371 5.039 1.336 350 2HB PHE 37 3HB PHE 37 -6.578 3.356 0.877 351 HD1 PHE 37 1HD PHE 37 -4.041 5.906 1.850 352 HD2 PHE 37 2HD PHE 37 -4.798 1.774 1.145 353 HE1 PHE 37 1HE PHE 37 -1.971 5.323 3.035 354 HE2 PHE 37 2HE PHE 37 -2.761 1.196 2.386 355 HZ PHE 37 HZ PHE 37 -1.313 2.966 3.284 356 QB PHE 37 QB PHE 37 -6.475 4.197 1.107 357 QR PHE 37 QR PHE 37 -3.393 3.550 2.105 358 CH2 TRP 38 CH2 TRP 38 -11.145 3.620 -8.361 359 H TRP 38 HN TRP 38 -7.728 2.906 -0.782 360 HA TRP 38 HA TRP 38 -9.658 4.858 -1.844 361 1HB TRP 38 2HB TRP 38 -8.334 4.129 -3.818 362 2HB TRP 38 3HB TRP 38 -8.792 2.492 -3.504 363 HD1 TRP 38 HD1 TRP 38 -11.981 3.969 -2.904 364 HE1 TRP 38 HE1 TRP 38 -13.415 4.075 -4.943 365 HE3 TRP 38 HE3 TRP 38 -8.412 3.353 -6.345 366 HZ2 TRP 38 HZ2 TRP 38 -13.155 3.941 -7.702 367 HZ3 TRP 38 HZ3 TRP 38 -9.061 3.316 -8.743 368 HH2 TRP 38 HH2 TRP 38 -11.409 3.602 -9.411 369 QB TRP 38 QB TRP 38 -8.564 3.311 -3.661 370 H LYS 39 HN LYS 39 -9.264 1.331 -1.971 371 HA LYS 39 HA LYS 39 -11.735 1.073 -0.299 372 1HB LYS 39 2HB LYS 39 -11.224 -1.088 -2.281 373 2HB LYS 39 3HB LYS 39 -12.739 -0.411 -1.729 374 1HG LYS 39 2HG LYS 39 -12.512 1.510 -3.185 375 2HG LYS 39 3HG LYS 39 -10.865 1.053 -3.614 376 1HD LYS 39 2HD LYS 39 -11.783 -1.128 -4.513 377 2HD LYS 39 3HD LYS 39 -13.401 -0.510 -4.226 378 1HE LYS 39 2HE LYS 39 -12.714 -0.219 -6.587 379 2HE LYS 39 3HE LYS 39 -13.018 1.326 -5.807 380 1HZ LYS 39 2HZ LYS 39 -10.378 0.935 -5.355 381 2HZ LYS 39 3HZ LYS 39 -10.560 0.264 -6.886 382 3HZ LYS 39 1HZ LYS 39 -11.007 1.878 -6.600 383 QB LYS 39 QB LYS 39 -11.981 -0.749 -2.005 384 QG LYS 39 QG LYS 39 -11.688 1.281 -3.399 385 QD LYS 39 QD LYS 39 -12.593 -0.819 -4.370 386 QE LYS 39 QE LYS 39 -12.866 0.553 -6.197 387 QZ LYS 39 QZ LYS 39 -10.648 1.025 -6.280 388 HA PRO 40 HA PRO 40 -11.462 1.243 1.567 389 1HB PRO 40 2HB PRO 40 -9.870 1.467 3.894 390 2HB PRO 40 3HB PRO 40 -11.346 0.517 3.715 391 1HG PRO 40 2HG PRO 40 -8.674 -0.469 4.065 392 2HG PRO 40 3HG PRO 40 -10.136 -1.422 3.794 393 1HD PRO 40 2HD PRO 40 -8.004 -0.699 1.862 394 2HD PRO 40 3HD PRO 40 -9.215 -1.994 1.761 395 QB PRO 40 QB PRO 40 -10.608 0.992 3.805 396 QG PRO 40 QG PRO 40 -9.405 -0.945 3.929 397 QD PRO 40 QD PRO 40 -8.609 -1.347 1.811 398 H ASP 41 HN ASP 41 -10.845 3.259 2.802 399 HA ASP 41 HA ASP 41 -8.793 4.783 1.289 400 1HB ASP 41 2HB ASP 41 -10.063 6.736 2.116 401 2HB ASP 41 3HB ASP 41 -11.185 5.583 1.400 402 QB ASP 41 QB ASP 41 -10.625 6.160 1.759 403 H SER 42 HN SER 42 -9.921 3.901 4.461 404 HA SER 42 HA SER 42 -7.490 5.017 5.786 405 1HB SER 42 2HB SER 42 -10.151 4.023 6.919 406 2HB SER 42 3HB SER 42 -8.825 4.689 7.890 407 HG SER 42 HG SER 42 -10.259 5.986 5.761 408 QB SER 42 QB SER 42 -9.489 4.356 7.404 409 H VAL 43 HN VAL 43 -5.938 3.594 6.493 410 HA VAL 43 HA VAL 43 -6.495 0.674 6.221 411 HB VAL 43 HB VAL 43 -4.643 1.603 4.909 412 1HG1 VAL 43 2HG VAL 43 -3.395 2.376 7.567 413 2HG1 VAL 43 3HG VAL 43 -2.592 2.460 6.004 414 3HG1 VAL 43 1HG VAL 43 -3.979 3.485 6.332 415 1HG2 VAL 43 1HG VAL 43 -3.672 -0.183 7.161 416 2HG2 VAL 43 2HG VAL 43 -4.430 -0.719 5.668 417 3HG2 VAL 43 3HG VAL 43 -2.846 0.051 5.623 418 QG1 VAL 43 QG1 VAL 43 -3.322 2.774 6.634 419 QG2 VAL 43 QG2 VAL 43 -3.649 -0.284 6.151 420 QQG VAL 43 QQG VAL 43 -3.485 1.245 6.392 421 H THR 44 HN THR 44 -7.763 1.276 8.238 422 HA THR 44 HA THR 44 -6.051 0.753 10.638 423 HB THR 44 HB THR 44 -7.939 1.961 11.911 424 HG1 THR 44 1HG THR 44 -9.617 2.264 10.649 425 1HG2 THR 44 2HG THR 44 -5.832 3.195 11.129 426 2HG2 THR 44 3HG THR 44 -6.680 3.567 9.630 427 3HG2 THR 44 1HG THR 44 -7.265 4.217 11.157 428 QG2 THR 44 QG2 THR 44 -6.592 3.660 10.639 429 H GLN 45 HN GLN 45 -8.105 -0.823 8.648 430 HA GLN 45 HA GLN 45 -8.930 -2.665 10.849 431 1HB GLN 45 2HB GLN 45 -11.186 -2.847 10.086 432 2HB GLN 45 3HB GLN 45 -10.848 -1.128 10.191 433 1HG GLN 45 2HG GLN 45 -10.842 -2.805 7.654 434 2HG GLN 45 3HG GLN 45 -12.042 -1.601 8.107 435 1HE2 GLN 45 2HE GLN 45 -10.050 1.126 7.039 436 2HE2 GLN 45 1HE GLN 45 -11.474 0.645 7.836 437 QB GLN 45 QB GLN 45 -11.016 -1.988 10.138 438 QG GLN 45 QG GLN 45 -11.442 -2.203 7.880 439 QE2 GLN 45 QE2 GLN 45 -10.763 0.885 7.437 440 H ILE 46 HN ILE 46 -6.931 -2.584 8.578 441 HA ILE 46 HA ILE 46 -7.841 -4.940 7.020 442 HB ILE 46 HB ILE 46 -5.536 -3.034 6.719 443 1HG1 ILE 46 2HG ILE 46 -7.582 -2.180 5.877 444 2HG1 ILE 46 3HG ILE 46 -6.460 -2.500 4.566 445 1HG2 ILE 46 3HG ILE 46 -5.964 -5.535 5.097 446 2HG2 ILE 46 1HG ILE 46 -4.786 -4.281 4.730 447 3HG2 ILE 46 2HG ILE 46 -4.621 -5.243 6.193 448 1HD1 ILE 46 1HD ILE 46 -7.539 -4.681 4.211 449 2HD1 ILE 46 2HD ILE 46 -8.698 -4.297 5.480 450 3HD1 ILE 46 3HD ILE 46 -8.660 -3.338 4.008 451 QG1 ILE 46 QG1 ILE 46 -7.021 -2.340 5.221 452 QG2 ILE 46 QG2 ILE 46 -5.124 -5.020 5.340 453 QD1 ILE 46 QD1 ILE 46 -8.299 -4.105 4.566 454 H LYS 47 HN LYS 47 -7.011 -6.904 7.288 455 HA LYS 47 HA LYS 47 -4.892 -7.276 9.364 456 1HB LYS 47 2HB LYS 47 -6.098 -9.497 9.807 457 2HB LYS 47 3HB LYS 47 -6.994 -8.061 10.274 458 1HG LYS 47 2HG LYS 47 -8.506 -8.258 8.527 459 2HG LYS 47 3HG LYS 47 -7.372 -9.104 7.493 460 1HD LYS 47 2HD LYS 47 -7.578 -11.026 9.303 461 2HD LYS 47 3HD LYS 47 -9.063 -10.190 9.744 462 1HE LYS 47 2HE LYS 47 -9.495 -11.950 8.041 463 2HE LYS 47 3HE LYS 47 -9.860 -10.347 7.404 464 1HZ LYS 47 1HZ LYS 47 -7.137 -10.971 7.005 465 2HZ LYS 47 2HZ LYS 47 -8.070 -12.198 6.328 466 3HZ LYS 47 3HZ LYS 47 -8.282 -10.577 5.842 467 QB LYS 47 QB LYS 47 -6.547 -8.779 10.041 468 QG LYS 47 QG LYS 47 -7.939 -8.681 8.010 469 QD LYS 47 QD LYS 47 -8.321 -10.608 9.523 470 QE LYS 47 QE LYS 47 -9.678 -11.149 7.723 471 QZ LYS 47 QZ LYS 47 -7.830 -11.249 6.392 472 HA PRO 48 HA PRO 48 -2.643 -9.876 6.471 473 1HB PRO 48 2HB PRO 48 -3.049 -12.243 8.255 474 2HB PRO 48 3HB PRO 48 -1.559 -11.574 7.590 475 1HG PRO 48 2HG PRO 48 -2.216 -11.173 10.183 476 2HG PRO 48 3HG PRO 48 -1.395 -9.925 9.242 477 1HD PRO 48 2HD PRO 48 -4.273 -10.079 10.066 478 2HD PRO 48 3HD PRO 48 -3.236 -8.648 9.865 479 QB PRO 48 QB PRO 48 -2.303 -11.908 7.923 480 QG PRO 48 QG PRO 48 -1.806 -10.550 9.712 481 QD PRO 48 QD PRO 48 -3.754 -9.364 9.966 482 H HIS 49 HN HIS 49 -2.871 -11.887 5.115 483 HA HIS 49 HA HIS 49 -4.150 -12.961 3.486 484 1HB HIS 49 2HB HIS 49 -5.333 -14.750 4.308 485 2HB HIS 49 3HB HIS 49 -4.306 -14.358 5.645 486 HD1 HIS 49 HD1 HIS 49 -7.817 -13.890 4.552 487 HD2 HIS 49 HD2 HIS 49 -5.717 -14.042 8.088 488 HE1 HIS 49 HE1 HIS 49 -9.531 -14.178 6.397 489 QB HIS 49 QB HIS 49 -4.819 -14.554 4.976 490 H SER 50 HN SER 50 -4.685 -10.338 3.583 491 HA SER 50 HA SER 50 -7.570 -10.232 2.820 492 1HB SER 50 2HB SER 50 -6.165 -7.942 4.247 493 2HB SER 50 3HB SER 50 -7.903 -8.127 3.936 494 HG SER 50 HG SER 50 -6.221 -9.466 5.744 495 QB SER 50 QB SER 50 -7.033 -8.035 4.091 496 H THR 51 HN THR 51 -7.982 -8.381 1.372 497 HA THR 51 HA THR 51 -5.533 -7.554 -0.141 498 HB THR 51 HB THR 51 -8.238 -8.101 -1.433 499 HG1 THR 51 1HG THR 51 -5.990 -9.836 -1.103 500 1HG2 THR 51 3HG THR 51 -5.362 -8.282 -2.460 501 2HG2 THR 51 1HG THR 51 -6.819 -8.506 -3.418 502 3HG2 THR 51 2HG THR 51 -6.422 -6.916 -2.770 503 QG2 THR 51 QG2 THR 51 -6.202 -7.902 -2.882 504 H VAL 52 HN VAL 52 -5.634 -5.421 -0.992 505 HA VAL 52 HA VAL 52 -8.051 -3.850 -0.249 506 HB VAL 52 HB VAL 52 -6.572 -1.980 0.493 507 1HG1 VAL 52 1HG VAL 52 -6.129 -4.587 1.980 508 2HG1 VAL 52 2HG VAL 52 -5.849 -2.989 2.649 509 3HG1 VAL 52 3HG VAL 52 -7.481 -3.487 2.206 510 1HG2 VAL 52 3HG VAL 52 -4.353 -4.028 0.191 511 2HG2 VAL 52 1HG VAL 52 -4.561 -2.571 -0.773 512 3HG2 VAL 52 2HG VAL 52 -4.177 -2.444 0.939 513 QG1 VAL 52 QG1 VAL 52 -6.487 -3.688 2.278 514 QG2 VAL 52 QG2 VAL 52 -4.364 -3.014 0.119 515 QQG VAL 52 QQG VAL 52 -5.425 -3.351 1.199 516 H ASP 53 HN ASP 53 -8.215 -1.886 -1.360 517 HA ASP 53 HA ASP 53 -6.900 -1.937 -4.059 518 1HB ASP 53 2HB ASP 53 -9.423 -2.066 -3.995 519 2HB ASP 53 3HB ASP 53 -9.460 -0.552 -3.097 520 QB ASP 53 QB ASP 53 -9.441 -1.309 -3.547 521 H PHE 54 HN PHE 54 -5.258 -0.708 -3.954 522 HA PHE 54 HA PHE 54 -5.006 1.586 -2.099 523 1HB PHE 54 2HB PHE 54 -3.377 -0.325 -2.177 524 2HB PHE 54 3HB PHE 54 -3.011 0.082 -3.839 525 HD1 PHE 54 1HD PHE 54 -2.076 2.440 -4.294 526 HD2 PHE 54 2HD PHE 54 -2.214 0.723 -0.405 527 HE1 PHE 54 1HE PHE 54 -0.131 3.775 -3.637 528 HE2 PHE 54 2HE PHE 54 -0.283 2.080 0.257 529 HZ PHE 54 HZ PHE 54 0.788 3.560 -1.373 530 QB PHE 54 QB PHE 54 -3.194 -0.121 -3.008 531 QR PHE 54 QR PHE 54 -1.176 2.254 -2.020 532 NH1 ARG 55 NH1 ARG 55 -4.874 10.035 -4.251 533 NH2 ARG 55 NH2 ARG 55 -4.307 10.864 -6.290 534 H ARG 55 HN ARG 55 -4.228 3.657 -2.957 535 HA ARG 55 HA ARG 55 -5.040 4.001 -5.827 536 1HB ARG 55 2HB ARG 55 -6.510 5.047 -4.110 537 2HB ARG 55 3HB ARG 55 -5.159 5.998 -3.539 538 1HG ARG 55 2HG ARG 55 -6.150 6.103 -6.408 539 2HG ARG 55 3HG ARG 55 -6.771 7.162 -5.154 540 1HD ARG 55 2HD ARG 55 -4.146 7.635 -4.775 541 2HD ARG 55 3HD ARG 55 -4.090 7.147 -6.466 542 HE ARG 55 HE ARG 55 -5.878 8.939 -6.872 543 1HH1 ARG 55 2HH ARG 55 -5.294 9.299 -3.721 544 2HH1 ARG 55 1HH ARG 55 -4.499 10.833 -3.767 545 1HH2 ARG 55 2HH ARG 55 -4.301 10.731 -7.291 546 2HH2 ARG 55 1HH ARG 55 -3.945 11.705 -5.897 547 QB ARG 55 QB ARG 55 -5.834 5.523 -3.825 548 QG ARG 55 QG ARG 55 -6.460 6.633 -5.781 549 QD ARG 55 QD ARG 55 -4.118 7.391 -5.621 550 QH1 ARG 55 QH1 ARG 55 -4.897 10.066 -3.744 551 QH2 ARG 55 QH2 ARG 55 -4.123 11.218 -6.595 552 H VAL 56 HN VAL 56 -3.619 4.842 -7.223 553 HA VAL 56 HA VAL 56 -1.226 6.224 -6.187 554 HB VAL 56 HB VAL 56 -0.107 5.009 -8.144 555 1HG1 VAL 56 3HG VAL 56 -1.069 3.414 -5.758 556 2HG1 VAL 56 1HG VAL 56 0.310 2.972 -6.759 557 3HG1 VAL 56 2HG VAL 56 0.357 4.443 -5.792 558 1HG2 VAL 56 3HG VAL 56 -2.118 4.218 -9.266 559 2HG2 VAL 56 1HG VAL 56 -1.095 2.869 -8.811 560 3HG2 VAL 56 2HG VAL 56 -2.530 3.235 -7.866 561 QG1 VAL 56 QG1 VAL 56 -0.134 3.609 -6.103 562 QG2 VAL 56 QG2 VAL 56 -1.915 3.441 -8.648 563 QQG VAL 56 QQG VAL 56 -1.024 3.525 -7.376 564 H LYS 57 HN LYS 57 -0.059 7.120 -8.193 565 HA LYS 57 HA LYS 57 -1.974 8.425 -10.072 566 1HB LYS 57 2HB LYS 57 -0.550 10.461 -9.862 567 2HB LYS 57 3HB LYS 57 -1.256 10.025 -8.324 568 1HG LYS 57 2HG LYS 57 0.827 8.952 -7.609 569 2HG LYS 57 3HG LYS 57 1.562 9.230 -9.179 570 1HD LYS 57 2HD LYS 57 0.499 11.635 -7.742 571 2HD LYS 57 3HD LYS 57 1.943 10.880 -7.078 572 1HE LYS 57 2HE LYS 57 2.653 12.582 -8.635 573 2HE LYS 57 3HE LYS 57 3.016 11.023 -9.332 574 1HZ LYS 57 2HZ LYS 57 0.425 11.868 -10.135 575 2HZ LYS 57 3HZ LYS 57 1.582 13.061 -10.500 576 3HZ LYS 57 1HZ LYS 57 1.780 11.491 -11.083 577 QB LYS 57 QB LYS 57 -0.903 10.242 -9.094 578 QG LYS 57 QG LYS 57 1.195 9.091 -8.395 579 QD LYS 57 QD LYS 57 1.221 11.257 -7.410 580 QE LYS 57 QE LYS 57 2.835 11.802 -8.984 581 QZ LYS 57 QZ LYS 57 1.262 12.139 -10.572 582 H ALA 58 HN ALA 58 0.263 9.771 -11.355 583 HA ALA 58 HA ALA 58 1.885 7.501 -12.427 584 1HB ALA 58 3HB ALA 58 0.021 8.125 -13.990 585 2HB ALA 58 1HB ALA 58 0.669 9.763 -14.019 586 3HB ALA 58 2HB ALA 58 1.610 8.439 -14.671 587 QB ALA 58 QB ALA 58 0.767 8.776 -14.227 588 H GLU 59 HN GLU 59 3.485 8.920 -14.129 589 HA GLU 59 HA GLU 59 5.257 10.447 -14.277 590 1HB GLU 59 2HB GLU 59 4.104 11.932 -11.908 591 2HB GLU 59 3HB GLU 59 5.176 12.550 -13.145 592 1HG GLU 59 2HG GLU 59 3.417 13.156 -14.414 593 2HG GLU 59 3HG GLU 59 2.823 11.498 -14.441 594 QB GLU 59 QB GLU 59 4.640 12.241 -12.527 595 QG GLU 59 QG GLU 59 3.120 12.327 -14.428 596 H ASP 60 HN ASP 60 4.505 9.599 -10.886 597 HA ASP 60 HA ASP 60 7.455 9.534 -10.417 598 1HB ASP 60 2HB ASP 60 7.030 9.933 -8.088 599 2HB ASP 60 3HB ASP 60 6.041 11.083 -8.977 600 QB ASP 60 QB ASP 60 6.535 10.509 -8.532 601 H ILE 61 HN ILE 61 4.508 7.684 -10.011 602 HA ILE 61 HA ILE 61 4.408 5.604 -8.682 603 HB ILE 61 HB ILE 61 5.108 5.219 -11.604 604 1HG1 ILE 61 2HG ILE 61 2.487 4.849 -10.103 605 2HG1 ILE 61 3HG ILE 61 2.965 6.399 -10.773 606 1HG2 ILE 61 3HG ILE 61 4.170 3.160 -9.558 607 2HG2 ILE 61 1HG ILE 61 4.164 2.891 -11.290 608 3HG2 ILE 61 2HG ILE 61 5.685 3.114 -10.448 609 1HD1 ILE 61 3HD ILE 61 2.683 3.828 -12.374 610 2HD1 ILE 61 1HD ILE 61 1.495 5.122 -12.322 611 3HD1 ILE 61 2HD ILE 61 3.078 5.417 -13.026 612 QG1 ILE 61 QG1 ILE 61 2.727 5.625 -10.439 613 QG2 ILE 61 QG2 ILE 61 4.673 3.055 -10.432 614 QD1 ILE 61 QD1 ILE 61 2.418 4.789 -12.574 615 H LEU 62 HN LEU 62 7.228 5.247 -10.806 616 HA LEU 62 HA LEU 62 8.693 3.268 -9.738 617 1HB LEU 62 2HB LEU 62 9.766 6.077 -10.167 618 2HB LEU 62 3HB LEU 62 10.765 4.637 -10.083 619 HG LEU 62 HG LEU 62 8.567 5.081 -12.151 620 1HD1 LEU 62 3HD LEU 62 10.456 6.658 -12.443 621 2HD1 LEU 62 1HD LEU 62 11.590 5.312 -12.403 622 3HD1 LEU 62 2HD LEU 62 10.437 5.455 -13.726 623 1HD2 LEU 62 2HD LEU 62 10.767 2.985 -11.937 624 2HD2 LEU 62 3HD LEU 62 9.046 2.691 -11.699 625 3HD2 LEU 62 1HD LEU 62 9.646 3.151 -13.284 626 QB LEU 62 QB LEU 62 10.266 5.357 -10.126 627 QD1 LEU 62 QD1 LEU 62 10.828 5.808 -12.858 628 QD2 LEU 62 QD2 LEU 62 9.820 2.942 -12.307 629 QQD LEU 62 QQD LEU 62 10.324 4.375 -12.582 630 H ALA 63 HN ALA 63 8.509 6.460 -8.195 631 HA ALA 63 HA ALA 63 10.105 5.889 -5.914 632 1HB ALA 63 1HB ALA 63 7.689 7.740 -6.135 633 2HB ALA 63 2HB ALA 63 8.893 7.797 -4.847 634 3HB ALA 63 3HB ALA 63 9.353 8.187 -6.502 635 QB ALA 63 QB ALA 63 8.645 7.908 -5.828 636 H VAL 64 HN VAL 64 6.549 5.691 -6.225 637 HA VAL 64 HA VAL 64 6.102 4.622 -3.568 638 HB VAL 64 HB VAL 64 4.497 4.130 -6.133 639 1HG1 VAL 64 2HG VAL 64 3.751 3.996 -3.191 640 2HG1 VAL 64 3HG VAL 64 2.624 3.801 -4.527 641 3HG1 VAL 64 1HG VAL 64 3.907 2.624 -4.279 642 1HG2 VAL 64 3HG VAL 64 4.247 6.352 -4.068 643 2HG2 VAL 64 1HG VAL 64 4.817 6.556 -5.721 644 3HG2 VAL 64 2HG VAL 64 3.149 6.087 -5.419 645 QG1 VAL 64 QG1 VAL 64 3.428 3.474 -3.999 646 QG2 VAL 64 QG2 VAL 64 4.071 6.331 -5.070 647 QQG VAL 64 QQG VAL 64 3.749 4.903 -4.534 648 H GLU 65 HN GLU 65 6.439 3.064 -6.763 649 HA GLU 65 HA GLU 65 6.235 0.386 -6.066 650 1HB GLU 65 2HB GLU 65 8.401 1.507 -7.894 651 2HB GLU 65 3HB GLU 65 7.778 -0.138 -7.903 652 1HG GLU 65 2HG GLU 65 6.240 2.380 -8.602 653 2HG GLU 65 3HG GLU 65 6.678 1.069 -9.692 654 QB GLU 65 QB GLU 65 8.089 0.684 -7.899 655 QG GLU 65 QG GLU 65 6.458 1.724 -9.147 656 H ASP 66 HN ASP 66 9.213 2.341 -5.822 657 HA ASP 66 HA ASP 66 10.991 0.508 -4.746 658 1HB ASP 66 2HB ASP 66 11.476 2.945 -5.091 659 2HB ASP 66 3HB ASP 66 10.508 3.320 -3.675 660 QB ASP 66 QB ASP 66 10.992 3.132 -4.384 661 H PHE 67 HN PHE 67 8.625 2.362 -2.910 662 HA PHE 67 HA PHE 67 9.132 1.195 -0.353 663 1HB PHE 67 2HB PHE 67 7.842 3.342 -0.834 664 2HB PHE 67 3HB PHE 67 6.490 2.347 -1.353 665 HD1 PHE 67 2HD PHE 67 8.833 2.647 1.576 666 HD2 PHE 67 1HD PHE 67 4.889 1.749 0.242 667 HE1 PHE 67 2HE PHE 67 8.150 2.176 3.894 668 HE2 PHE 67 1HE PHE 67 4.202 1.346 2.565 669 HZ PHE 67 HZ PHE 67 5.838 1.530 4.385 670 QB PHE 67 QB PHE 67 7.165 2.844 -1.093 671 QR PHE 67 QR PHE 67 6.518 1.980 2.069 672 H LEU 68 HN LEU 68 6.659 0.468 -2.778 673 HA LEU 68 HA LEU 68 5.548 -1.757 -1.268 674 1HB LEU 68 2HB LEU 68 5.363 -1.280 -4.256 675 2HB LEU 68 3HB LEU 68 4.280 -2.265 -3.283 676 HG LEU 68 HG LEU 68 4.641 0.747 -3.060 677 1HD1 LEU 68 2HD LEU 68 3.350 -0.035 -5.037 678 2HD1 LEU 68 3HD LEU 68 2.292 -0.952 -3.973 679 3HD1 LEU 68 1HD LEU 68 2.323 0.807 -3.883 680 1HD2 LEU 68 3HD LEU 68 2.817 -1.150 -1.530 681 2HD2 LEU 68 1HD LEU 68 4.186 -0.272 -0.853 682 3HD2 LEU 68 2HD LEU 68 2.773 0.608 -1.421 683 QB LEU 68 QB LEU 68 4.822 -1.772 -3.769 684 QD1 LEU 68 QD1 LEU 68 2.655 -0.060 -4.298 685 QD2 LEU 68 QD2 LEU 68 3.258 -0.271 -1.268 686 QQD LEU 68 QQD LEU 68 2.956 -0.166 -2.782 687 H GLU 69 HN GLU 69 8.355 -1.419 -3.057 688 HA GLU 69 HA GLU 69 8.571 -4.318 -3.696 689 1HB GLU 69 2HB GLU 69 9.062 -2.754 -5.540 690 2HB GLU 69 3HB GLU 69 10.234 -1.922 -4.542 691 1HG GLU 69 2HG GLU 69 11.165 -4.506 -4.351 692 2HG GLU 69 3HG GLU 69 10.500 -4.497 -5.975 693 QB GLU 69 QB GLU 69 9.649 -2.339 -5.042 694 QG GLU 69 QG GLU 69 10.833 -4.502 -5.163 695 H GLN 70 HN GLN 70 11.029 -1.899 -2.833 696 HA GLN 70 HA GLN 70 12.949 -3.442 -1.682 697 1HB GLN 70 2HB GLN 70 11.868 -0.799 -0.678 698 2HB GLN 70 3HB GLN 70 13.265 -1.568 0.062 699 1HG GLN 70 2HG GLN 70 14.048 -1.738 -2.512 700 2HG GLN 70 3HG GLN 70 13.001 -0.327 -2.646 701 1HE2 GLN 70 2HE GLN 70 15.302 1.771 -1.015 702 2HE2 GLN 70 1HE GLN 70 13.863 1.626 -1.909 703 QB GLN 70 QB GLN 70 12.567 -1.184 -0.309 704 QG GLN 70 QG GLN 70 13.525 -1.032 -2.579 705 QE2 GLN 70 QE2 GLN 70 14.582 1.699 -1.461 706 H ASN 71 HN ASN 71 10.002 -2.437 -0.091 707 HA ASN 71 HA ASN 71 10.614 -4.037 2.318 708 1HB ASN 71 2HB ASN 71 7.966 -2.701 1.716 709 2HB ASN 71 3HB ASN 71 8.722 -2.985 3.279 710 1HD2 ASN 71 2HD ASN 71 9.225 0.577 1.931 711 2HD2 ASN 71 1HD ASN 71 7.835 -0.399 2.006 712 QB ASN 71 QB ASN 71 8.345 -2.843 2.497 713 QD2 ASN 71 QD2 ASN 71 8.530 0.089 1.968 714 H GLU 72 HN GLU 72 8.576 -4.069 -0.474 715 HA GLU 72 HA GLU 72 7.566 -5.778 -1.647 716 1HB GLU 72 2HB GLU 72 9.578 -7.075 -0.238 717 2HB GLU 72 3HB GLU 72 8.143 -7.996 0.186 718 1HG GLU 72 2HG GLU 72 8.698 -7.245 -2.692 719 2HG GLU 72 3HG GLU 72 9.445 -8.665 -1.971 720 QB GLU 72 QB GLU 72 8.861 -7.535 -0.026 721 QG GLU 72 QG GLU 72 9.072 -7.955 -2.332 722 H LEU 73 HN LEU 73 5.532 -4.847 -1.125 723 HA LEU 73 HA LEU 73 4.022 -6.263 0.983 724 1HB LEU 73 2HB LEU 73 3.063 -3.868 -0.576 725 2HB LEU 73 3HB LEU 73 2.631 -4.393 1.019 726 HG LEU 73 HG LEU 73 5.225 -3.092 0.211 727 1HD1 LEU 73 2HD LEU 73 3.254 -1.616 0.598 728 2HD1 LEU 73 3HD LEU 73 3.064 -2.317 2.200 729 3HD1 LEU 73 1HD LEU 73 4.502 -1.369 1.814 730 1HD2 LEU 73 2HD LEU 73 5.664 -4.908 1.873 731 2HD2 LEU 73 3HD LEU 73 5.939 -3.310 2.534 732 3HD2 LEU 73 1HD LEU 73 4.472 -4.186 2.936 733 QB LEU 73 QB LEU 73 2.846 -4.130 0.222 734 QD1 LEU 73 QD1 LEU 73 3.606 -1.767 1.538 735 QD2 LEU 73 QD2 LEU 73 5.359 -4.135 2.448 736 QQD LEU 73 QQD LEU 73 4.482 -2.951 1.993 737 H GLN 74 HN GLN 74 4.461 -7.883 -0.972 738 HA GLN 74 HA GLN 74 3.647 -8.821 -3.052 739 1HB GLN 74 2HB GLN 74 1.617 -9.288 -0.847 740 2HB GLN 74 3HB GLN 74 1.693 -10.238 -2.325 741 1HG GLN 74 2HG GLN 74 2.942 -11.449 -0.643 742 2HG GLN 74 3HG GLN 74 4.137 -10.740 -1.730 743 1HE2 GLN 74 2HE GLN 74 5.594 -8.846 0.861 744 2HE2 GLN 74 1HE GLN 74 5.750 -9.530 -0.694 745 QB GLN 74 QB GLN 74 1.655 -9.763 -1.586 746 QG GLN 74 QG GLN 74 3.539 -11.094 -1.187 747 QE2 GLN 74 QE2 GLN 74 5.672 -9.188 0.083 748 OH TYR 75 OH TYR 75 5.978 -2.792 -7.457 749 H TYR 75 HN TYR 75 3.219 -6.764 -4.181 750 HA TYR 75 HA TYR 75 0.287 -6.457 -4.664 751 1HB TYR 75 2HB TYR 75 0.531 -4.112 -4.980 752 2HB TYR 75 3HB TYR 75 1.525 -4.440 -3.560 753 HD1 TYR 75 HD1 TYR 75 4.036 -4.834 -3.931 754 HD2 TYR 75 HD2 TYR 75 1.517 -3.208 -6.961 755 HE1 TYR 75 HE1 TYR 75 6.011 -4.104 -5.186 756 HE2 TYR 75 HE2 TYR 75 3.497 -2.483 -8.201 757 HH TYR 75 HH TYR 75 5.689 -2.051 -8.019 758 QB TYR 75 QB TYR 75 1.028 -4.276 -4.270 759 QR TYR 75 QR TYR 75 3.765 -3.657 -6.070 760 H GLU 76 HN GLU 76 -0.168 -5.695 -6.878 761 HA GLU 76 HA GLU 76 1.920 -6.288 -8.883 762 1HB GLU 76 2HB GLU 76 -0.747 -7.766 -8.917 763 2HB GLU 76 3HB GLU 76 0.568 -7.955 -10.063 764 1HG GLU 76 2HG GLU 76 2.031 -8.875 -8.317 765 2HG GLU 76 3HG GLU 76 0.800 -8.590 -7.094 766 QB GLU 76 QB GLU 76 -0.090 -7.860 -9.491 767 QG GLU 76 QG GLU 76 1.416 -8.732 -7.706 768 H VAL 77 HN VAL 77 1.135 -5.684 -11.070 769 HA VAL 77 HA VAL 77 -0.905 -3.495 -10.901 770 HB VAL 77 HB VAL 77 1.388 -3.720 -12.891 771 1HG1 VAL 77 1HG VAL 77 -0.393 -1.398 -12.061 772 2HG1 VAL 77 2HG VAL 77 0.941 -1.296 -13.207 773 3HG1 VAL 77 3HG VAL 77 -0.471 -2.265 -13.588 774 1HG2 VAL 77 2HG VAL 77 1.244 -2.150 -10.285 775 2HG2 VAL 77 3HG VAL 77 2.299 -3.523 -10.599 776 3HG2 VAL 77 1HG VAL 77 2.535 -2.018 -11.474 777 QG1 VAL 77 QG1 VAL 77 0.026 -1.653 -12.952 778 QG2 VAL 77 QG2 VAL 77 2.026 -2.564 -10.786 779 QQG VAL 77 QQG VAL 77 1.026 -2.108 -11.870 780 H LEU 78 HN LEU 78 -2.252 -5.500 -11.178 781 HA LEU 78 HA LEU 78 -2.802 -7.269 -13.040 782 1HB LEU 78 2HB LEU 78 -4.687 -4.999 -12.343 783 2HB LEU 78 3HB LEU 78 -5.199 -6.400 -13.271 784 HG LEU 78 HG LEU 78 -3.853 -6.679 -10.576 785 1HD1 LEU 78 3HD LEU 78 -6.823 -6.482 -11.236 786 2HD1 LEU 78 1HD LEU 78 -6.181 -6.937 -9.665 787 3HD1 LEU 78 2HD LEU 78 -5.903 -5.317 -10.289 788 1HD2 LEU 78 2HD LEU 78 -5.670 -8.480 -12.235 789 2HD2 LEU 78 3HD LEU 78 -3.937 -8.694 -12.027 790 3HD2 LEU 78 1HD LEU 78 -5.018 -8.890 -10.656 791 QB LEU 78 QB LEU 78 -4.942 -5.699 -12.807 792 QD1 LEU 78 QD1 LEU 78 -6.303 -6.245 -10.397 793 QD2 LEU 78 QD2 LEU 78 -4.875 -8.688 -11.640 794 QQD LEU 78 QQD LEU 78 -5.588 -7.466 -11.018 795 H ILE 79 HN ILE 79 -3.563 -3.922 -13.925 796 HA ILE 79 HA ILE 79 -2.955 -4.447 -16.734 797 HB ILE 79 HB ILE 79 -5.342 -2.859 -15.666 798 1HG1 ILE 79 2HG ILE 79 -5.663 -5.300 -15.270 799 2HG1 ILE 79 3HG ILE 79 -6.814 -4.645 -16.418 800 1HG2 ILE 79 3HG ILE 79 -4.542 -3.650 -18.489 801 2HG2 ILE 79 1HG ILE 79 -6.104 -2.960 -18.062 802 3HG2 ILE 79 2HG ILE 79 -4.645 -2.020 -17.829 803 1HD1 ILE 79 1HD ILE 79 -4.281 -6.165 -17.156 804 2HD1 ILE 79 2HD ILE 79 -5.915 -6.816 -17.197 805 3HD1 ILE 79 3HD ILE 79 -5.459 -5.525 -18.297 806 QG1 ILE 79 QG1 ILE 79 -6.239 -4.972 -15.844 807 QG2 ILE 79 QG2 ILE 79 -5.097 -2.877 -18.126 808 QD1 ILE 79 QD1 ILE 79 -5.219 -6.168 -17.551 809 H ASN 80 HN ASN 80 -2.947 -2.066 -17.592 810 HA ASN 80 HA ASN 80 -1.112 -0.547 -15.822 811 1HB ASN 80 2HB ASN 80 -0.980 -1.244 -18.552 812 2HB ASN 80 3HB ASN 80 -1.306 0.483 -18.554 813 1HD2 ASN 80 2HD ASN 80 2.107 1.077 -17.975 814 2HD2 ASN 80 1HD ASN 80 0.665 1.549 -18.754 815 QB ASN 80 QB ASN 80 -1.143 -0.381 -18.553 816 QD2 ASN 80 QD2 ASN 80 1.386 1.313 -18.364 817 H ASN 81 HN ASN 81 -3.580 -0.240 -14.979 818 HA ASN 81 HA ASN 81 -4.447 2.457 -15.950 819 1HB ASN 81 2HB ASN 81 -6.144 0.626 -16.377 820 2HB ASN 81 3HB ASN 81 -6.196 0.336 -14.644 821 1HD2 ASN 81 ASN 81 -7.388 4.120 -14.882 822 2HD2 ASN 81 1HD ASN 81 -5.764 3.625 -14.801 823 QB ASN 81 QB ASN 81 -6.170 0.481 -15.510 824 QD2 ASN 81 QD2 ASN 81 -6.576 3.873 -14.841 Start of MODEL 6 Raw file had 824 H/Q atoms Start of MODEL 6 1 1H HIS 1 HN3 HIS 1 8.747 4.227 -25.173 2 2H HIS 1 HN1 HIS 1 8.531 4.937 -26.654 3 3H HIS 1 HN2 HIS 1 7.259 4.817 -25.600 4 HA HIS 1 HA HIS 1 6.681 2.866 -26.391 5 1HB HIS 1 2HB HIS 1 7.659 3.882 -28.489 6 2HB HIS 1 3HB HIS 1 9.160 3.073 -28.126 7 HD1 HIS 1 HD1 HIS 1 8.802 0.379 -27.852 8 HD2 HIS 1 HD2 HIS 1 6.013 2.342 -30.164 9 HE1 HIS 1 HE1 HIS 1 7.713 -1.369 -29.313 10 QB HIS 1 QB HIS 1 8.409 3.478 -28.307 11 H HIS 2 HN HIS 2 7.735 2.539 -24.039 12 HA HIS 2 HA HIS 2 9.418 0.087 -24.282 13 1HB HIS 2 2HB HIS 2 10.823 2.079 -23.651 14 2HB HIS 2 3HB HIS 2 9.844 2.271 -22.223 15 HD1 HIS 2 HD1 HIS 2 9.866 0.074 -20.618 16 HD2 HIS 2 HD2 HIS 2 13.006 0.347 -23.284 17 HE1 HIS 2 HE1 HIS 2 11.654 -1.484 -19.795 18 QB HIS 2 QB HIS 2 10.333 2.175 -22.937 19 H SER 3 HN SER 3 7.638 2.134 -22.020 20 HA SER 3 HA SER 3 6.079 -0.208 -21.157 21 1HB SER 3 2HB SER 3 7.664 1.486 -19.174 22 2HB SER 3 3HB SER 3 6.621 0.107 -18.781 23 HG SER 3 HG SER 3 8.024 -0.964 -20.545 24 QB SER 3 QB SER 3 7.142 0.796 -18.978 25 H GLY 4 HN GLY 4 6.683 3.257 -20.406 26 1HA GLY 4 1HA GLY 4 3.757 3.691 -20.731 27 2HA GLY 4 2HA GLY 4 4.430 4.076 -19.160 28 QA GLY 4 QA GLY 4 4.093 3.884 -19.946 29 H GLU 5 HN GLU 5 5.146 4.803 -22.616 30 HA GLU 5 HA GLU 5 5.958 7.543 -21.734 31 1HB GLU 5 2HB GLU 5 6.100 6.365 -24.537 32 2HB GLU 5 3HB GLU 5 6.900 7.817 -23.959 33 1HG GLU 5 2HG GLU 5 8.584 6.093 -23.964 34 2HG GLU 5 3HG GLU 5 8.143 6.350 -22.285 35 QB GLU 5 QB GLU 5 6.501 7.092 -24.248 36 QG GLU 5 QG GLU 5 8.364 6.222 -23.124 37 H HIS 6 HN HIS 6 3.475 7.265 -21.242 38 HA HIS 6 HA HIS 6 2.019 8.711 -23.405 39 1HB HIS 6 2HB HIS 6 0.590 6.622 -21.795 40 2HB HIS 6 3HB HIS 6 0.194 7.253 -23.374 41 HD1 HIS 6 HD1 HIS 6 2.707 6.764 -24.865 42 HD2 HIS 6 HD2 HIS 6 1.230 3.918 -22.276 43 HE1 HIS 6 HE1 HIS 6 3.641 4.553 -25.619 44 QB HIS 6 QB HIS 6 0.392 6.937 -22.584 45 H PHE 7 HN PHE 7 -0.375 9.151 -22.224 46 HA PHE 7 HA PHE 7 0.272 10.225 -19.510 47 1HB PHE 7 2HB PHE 7 0.353 11.947 -21.442 48 2HB PHE 7 3HB PHE 7 -1.396 11.773 -21.507 49 HD1 PHE 7 1HD PHE 7 -2.668 12.053 -19.203 50 HD2 PHE 7 2HD PHE 7 1.286 13.487 -19.921 51 HE1 PHE 7 1HE PHE 7 -2.846 13.528 -17.258 52 HE2 PHE 7 2HE PHE 7 1.086 14.977 -17.984 53 HZ PHE 7 HZ PHE 7 -0.974 14.997 -16.648 54 QB PHE 7 QB PHE 7 -0.522 11.860 -21.475 55 QR PHE 7 QR PHE 7 -0.785 13.511 -18.592 56 H GLU 8 HN GLU 8 -0.930 8.491 -18.593 57 HA GLU 8 HA GLU 8 -3.799 8.273 -19.210 58 1HB GLU 8 2HB GLU 8 -3.760 6.630 -17.248 59 2HB GLU 8 3HB GLU 8 -2.756 6.184 -18.615 60 1HG GLU 8 2HG GLU 8 -0.745 6.908 -17.484 61 2HG GLU 8 3HG GLU 8 -1.669 7.679 -16.204 62 QB GLU 8 QB GLU 8 -3.257 6.407 -17.931 63 QG GLU 8 QG GLU 8 -1.207 7.293 -16.845 64 H GLY 9 HN GLY 9 -1.680 9.665 -16.867 65 1HA GLY 9 1HA GLY 9 -2.178 11.642 -15.606 66 2HA GLY 9 2HA GLY 9 -3.875 11.307 -15.783 67 QA GLY 9 QA GLY 9 -3.027 11.474 -15.694 68 H GLU 10 HN GLU 10 -4.510 9.103 -14.751 69 HA GLU 10 HA GLU 10 -3.036 8.649 -12.204 70 1HB GLU 10 2HB GLU 10 -6.040 9.130 -12.276 71 2HB GLU 10 3HB GLU 10 -5.058 8.818 -10.852 72 1HG GLU 10 2HG GLU 10 -3.717 10.957 -11.722 73 2HG GLU 10 3HG GLU 10 -5.227 11.306 -12.538 74 QB GLU 10 QB GLU 10 -5.549 8.974 -11.563 75 QG GLU 10 QG GLU 10 -4.473 11.132 -12.131 76 H LYS 11 HN LYS 11 -3.533 6.573 -11.262 77 HA LYS 11 HA LYS 11 -5.121 4.700 -12.955 78 1HB LYS 11 2HB LYS 11 -2.527 4.830 -13.513 79 2HB LYS 11 3HB LYS 11 -2.358 3.869 -12.061 80 1HG LYS 11 2HG LYS 11 -4.346 2.492 -13.377 81 2HG LYS 11 3HG LYS 11 -3.417 3.119 -14.720 82 1HD LYS 11 2HD LYS 11 -2.279 1.524 -12.384 83 2HD LYS 11 3HD LYS 11 -2.558 0.896 -14.000 84 1HE LYS 11 2HE LYS 11 -0.630 3.126 -13.260 85 2HE LYS 11 3HE LYS 11 -0.200 1.495 -13.750 86 1HZ LYS 11 3HZ LYS 11 -1.862 2.543 -15.734 87 2HZ LYS 11 1HZ LYS 11 -0.715 3.737 -15.365 88 3HZ LYS 11 2HZ LYS 11 -0.227 2.156 -15.841 89 QB LYS 11 QB LYS 11 -2.443 4.350 -12.787 90 QG LYS 11 QG LYS 11 -3.882 2.805 -14.048 91 QD LYS 11 QD LYS 11 -2.418 1.210 -13.192 92 QE LYS 11 QE LYS 11 -0.415 2.310 -13.505 93 QZ LYS 11 QZ LYS 11 -0.934 2.812 -15.647 94 H VAL 12 HN VAL 12 -4.829 2.386 -11.773 95 HA VAL 12 HA VAL 12 -5.188 2.832 -8.835 96 HB VAL 12 HB VAL 12 -6.608 0.840 -10.663 97 1HG1 VAL 12 3HG VAL 12 -6.856 1.329 -7.669 98 2HG1 VAL 12 1HG VAL 12 -7.888 0.250 -8.603 99 3HG1 VAL 12 2HG VAL 12 -6.175 -0.108 -8.428 100 1HG2 VAL 12 2HG VAL 12 -7.652 3.258 -9.136 101 2HG2 VAL 12 3HG VAL 12 -7.469 3.149 -10.884 102 3HG2 VAL 12 1HG VAL 12 -8.644 2.133 -10.060 103 QG1 VAL 12 QG1 VAL 12 -6.973 0.491 -8.233 104 QG2 VAL 12 QG2 VAL 12 -7.921 2.846 -10.027 105 QQG VAL 12 QQG VAL 12 -7.447 1.669 -9.130 106 H PHE 13 HN PHE 13 -4.202 1.238 -7.517 107 HA PHE 13 HA PHE 13 -2.555 -0.826 -8.929 108 1HB PHE 13 2HB PHE 13 -1.581 1.529 -7.611 109 2HB PHE 13 3HB PHE 13 -1.177 0.164 -6.589 110 HD1 PHE 13 2HD PHE 13 0.135 -1.778 -7.599 111 HD2 PHE 13 1HD PHE 13 -0.427 1.891 -9.695 112 HE1 PHE 13 2HE PHE 13 2.185 -2.187 -8.876 113 HE2 PHE 13 1HE PHE 13 1.644 1.485 -10.950 114 HZ PHE 13 HZ PHE 13 3.006 -0.509 -10.474 115 QB PHE 13 QB PHE 13 -1.379 0.846 -7.100 116 QR PHE 13 QR PHE 13 0.884 -0.148 -9.280 117 NH1 ARG 14 NH2 ARG 14 -4.724 -7.590 -6.356 118 NH2 ARG 14 NH1 ARG 14 -5.531 -8.281 -8.366 119 H ARG 14 HN ARG 14 -2.118 -2.708 -7.547 120 HA ARG 14 HA ARG 14 -3.817 -2.736 -5.088 121 1HB ARG 14 2HB ARG 14 -3.642 -4.742 -7.317 122 2HB ARG 14 3HB ARG 14 -3.905 -5.310 -5.679 123 1HG ARG 14 2HG ARG 14 -5.774 -3.472 -5.591 124 2HG ARG 14 3HG ARG 14 -5.670 -3.506 -7.344 125 1HD ARG 14 2HD ARG 14 -6.292 -5.874 -5.522 126 2HD ARG 14 3HD ARG 14 -7.422 -5.037 -6.579 127 HE ARG 14 HE ARG 14 -6.110 -5.872 -8.527 128 1HH1 ARG 14 2HH ARG 14 -4.660 -6.890 -5.654 129 2HH1 ARG 14 1HH ARG 14 -4.212 -8.452 -6.246 130 1HH2 ARG 14 2HH ARG 14 -6.120 -8.122 -9.152 131 2HH2 ARG 14 1HH ARG 14 -4.978 -9.126 -8.320 132 QB ARG 14 QB ARG 14 -3.773 -5.026 -6.498 133 QG ARG 14 QG ARG 14 -5.721 -3.489 -6.467 134 QD ARG 14 QD ARG 14 -6.857 -5.456 -6.050 135 QH1 ARG 14 QH2 ARG 14 -4.435 -7.672 -5.950 136 QH2 ARG 14 QH1 ARG 14 -5.549 -8.625 -8.736 137 H VAL 15 HN VAL 15 -3.053 -3.691 -3.336 138 HA VAL 15 HA VAL 15 -0.318 -4.895 -3.429 139 HB VAL 15 HB VAL 15 -1.308 -3.218 -1.112 140 1HG1 VAL 15 3HG VAL 15 0.677 -4.639 -0.754 141 2HG1 VAL 15 1HG VAL 15 1.471 -3.879 -2.128 142 3HG1 VAL 15 2HG VAL 15 1.103 -2.933 -0.689 143 1HG2 VAL 15 3HG VAL 15 0.174 -2.196 -3.555 144 2HG2 VAL 15 1HG VAL 15 -1.458 -1.744 -3.076 145 3HG2 VAL 15 2HG VAL 15 -0.090 -1.274 -2.077 146 QG1 VAL 15 QG1 VAL 15 1.083 -3.817 -1.190 147 QG2 VAL 15 QG2 VAL 15 -0.458 -1.738 -2.903 148 QQG VAL 15 QQG VAL 15 0.312 -2.778 -2.047 149 H ASN 16 HN ASN 16 0.018 -6.379 -1.549 150 HA ASN 16 HA ASN 16 -2.595 -7.562 -0.652 151 1HB ASN 16 2HB ASN 16 -0.874 -8.837 -2.263 152 2HB ASN 16 3HB ASN 16 -0.056 -9.175 -0.740 153 1HD2 ASN 16 2HD ASN 16 -3.028 -11.560 -1.661 154 2HD2 ASN 16 1HD ASN 16 -2.105 -10.673 -2.786 155 QB ASN 16 QB ASN 16 -0.465 -9.006 -1.501 156 QD2 ASN 16 QD2 ASN 16 -2.567 -11.117 -2.223 157 H VAL 17 HN VAL 17 -2.424 -8.683 1.449 158 HA VAL 17 HA VAL 17 -0.381 -7.493 3.299 159 HB VAL 17 HB VAL 17 -3.396 -7.651 3.763 160 1HG1 VAL 17 2HG VAL 17 -2.082 -8.085 5.830 161 2HG1 VAL 17 3HG VAL 17 -1.212 -6.573 5.583 162 3HG1 VAL 17 1HG VAL 17 -2.942 -6.556 5.915 163 1HG2 VAL 17 1HG VAL 17 -1.552 -5.264 3.486 164 2HG2 VAL 17 2HG VAL 17 -2.738 -5.794 2.300 165 3HG2 VAL 17 3HG VAL 17 -3.272 -5.190 3.867 166 QG1 VAL 17 QG1 VAL 17 -2.078 -7.072 5.776 167 QG2 VAL 17 QG2 VAL 17 -2.521 -5.416 3.217 168 QQG VAL 17 QQG VAL 17 -2.300 -6.243 4.497 169 H GLU 18 HN GLU 18 0.647 -9.324 4.178 170 HA GLU 18 HA GLU 18 -1.052 -11.753 4.361 171 1HB GLU 18 2HB GLU 18 1.485 -11.570 3.523 172 2HB GLU 18 3HB GLU 18 1.813 -11.812 5.234 173 1HG GLU 18 2HG GLU 18 0.728 -13.919 5.278 174 2HG GLU 18 3HG GLU 18 -0.191 -13.589 3.819 175 QB GLU 18 QB GLU 18 1.649 -11.691 4.379 176 QG GLU 18 QG GLU 18 0.268 -13.755 4.548 177 H ASP 19 HN ASP 19 0.758 -9.524 6.470 178 HA ASP 19 HA ASP 19 -1.070 -10.065 8.674 179 1HB ASP 19 2HB ASP 19 1.018 -11.894 8.602 180 2HB ASP 19 3HB ASP 19 1.614 -10.728 9.712 181 QB ASP 19 QB ASP 19 1.316 -11.311 9.156 182 H GLU 20 HN GLU 20 0.736 -9.583 10.704 183 HA GLU 20 HA GLU 20 0.649 -6.814 11.059 184 1HB GLU 20 2HB GLU 20 1.310 -8.395 12.850 185 2HB GLU 20 3HB GLU 20 2.832 -8.707 12.030 186 1HG GLU 20 2HG GLU 20 2.448 -5.836 12.412 187 2HG GLU 20 3HG GLU 20 2.330 -6.696 13.941 188 QB GLU 20 QB GLU 20 2.071 -8.551 12.439 189 QG GLU 20 QG GLU 20 2.388 -6.267 13.177 190 H ASN 21 HN ASN 21 3.468 -8.605 9.875 191 HA ASN 21 HA ASN 21 5.278 -6.602 9.401 192 1HB ASN 21 2HB ASN 21 5.664 -8.977 8.877 193 2HB ASN 21 3HB ASN 21 4.549 -8.883 7.523 194 1HD2 ASN 21 2HD ASN 21 7.391 -6.371 6.395 195 2HD2 ASN 21 1HD ASN 21 6.184 -5.944 7.505 196 QB ASN 21 QB ASN 21 5.106 -8.930 8.200 197 QD2 ASN 21 QD2 ASN 21 6.787 -6.158 6.950 198 H ASP 22 HN ASP 22 3.015 -7.613 6.884 199 HA ASP 22 HA ASP 22 3.395 -5.480 5.106 200 1HB ASP 22 2HB ASP 22 0.798 -6.940 5.760 201 2HB ASP 22 3HB ASP 22 1.110 -6.070 4.275 202 QB ASP 22 QB ASP 22 0.955 -6.505 5.017 203 H ILE 23 HN ILE 23 1.081 -5.770 7.782 204 HA ILE 23 HA ILE 23 -0.191 -3.255 7.372 205 HB ILE 23 HB ILE 23 0.286 -4.779 9.964 206 1HG1 ILE 23 2HG ILE 23 -2.081 -4.696 8.040 207 2HG1 ILE 23 3HG ILE 23 -0.928 -6.010 8.146 208 1HG2 ILE 23 2HG ILE 23 -0.297 -2.366 10.307 209 2HG2 ILE 23 3HG ILE 23 -1.723 -2.594 9.299 210 3HG2 ILE 23 1HG ILE 23 -1.590 -3.433 10.838 211 1HD1 ILE 23 3HD ILE 23 -2.737 -5.087 10.397 212 2HD1 ILE 23 1HD ILE 23 -2.967 -6.527 9.414 213 3HD1 ILE 23 2HD ILE 23 -1.579 -6.413 10.491 214 QG1 ILE 23 QG1 ILE 23 -1.504 -5.353 8.093 215 QG2 ILE 23 QG2 ILE 23 -1.204 -2.798 10.148 216 QD1 ILE 23 QD1 ILE 23 -2.427 -6.009 10.101 217 H SER 24 HN SER 24 2.383 -4.036 9.729 218 HA SER 24 HA SER 24 3.049 -1.576 10.726 219 1HB SER 24 2HB SER 24 5.064 -3.639 9.697 220 2HB SER 24 3HB SER 24 5.348 -2.448 10.979 221 HG SER 24 HG SER 24 4.350 -4.842 11.350 222 QB SER 24 QB SER 24 5.206 -3.043 10.338 223 H GLU 25 HN GLU 25 4.229 -2.953 7.729 224 HA GLU 25 HA GLU 25 5.679 -0.687 6.763 225 1HB GLU 25 2HB GLU 25 4.439 -3.106 5.433 226 2HB GLU 25 3HB GLU 25 5.480 -1.997 4.575 227 1HG GLU 25 2HG GLU 25 7.189 -2.420 6.482 228 2HG GLU 25 3HG GLU 25 6.170 -3.793 6.911 229 QB GLU 25 QB GLU 25 4.959 -2.552 5.004 230 QG GLU 25 QG GLU 25 6.679 -3.106 6.696 231 H LEU 26 HN LEU 26 2.681 -1.989 5.285 232 HA LEU 26 HA LEU 26 1.933 0.048 3.719 233 1HB LEU 26 2HB LEU 26 0.897 -2.310 4.598 234 2HB LEU 26 3HB LEU 26 -0.167 -1.203 5.450 235 HG LEU 26 HG LEU 26 -0.574 -0.075 3.323 236 1HD1 LEU 26 3HD LEU 26 1.046 -2.349 2.186 237 2HD1 LEU 26 1HD LEU 26 -0.007 -1.349 1.204 238 3HD1 LEU 26 2HD LEU 26 1.368 -0.624 2.017 239 1HD2 LEU 26 3HD LEU 26 -2.136 -1.829 4.157 240 2HD2 LEU 26 1HD LEU 26 -2.087 -1.840 2.397 241 3HD2 LEU 26 2HD LEU 26 -1.192 -3.052 3.312 242 QB LEU 26 QB LEU 26 0.365 -1.756 5.025 243 QD1 LEU 26 QD1 LEU 26 0.802 -1.440 1.803 244 QD2 LEU 26 QD2 LEU 26 -1.804 -2.241 3.289 245 QQD LEU 26 QQD LEU 26 -0.502 -1.840 2.545 246 H HIS 27 HN HIS 27 1.665 -0.106 7.180 247 HA HIS 27 HA HIS 27 0.086 2.288 7.588 248 1HB HIS 27 2HB HIS 27 1.441 0.316 9.215 249 2HB HIS 27 3HB HIS 27 1.895 1.894 9.766 250 HD1 HIS 27 HD1 HIS 27 0.189 3.201 10.980 251 HD2 HIS 27 HD2 HIS 27 -1.410 -0.303 9.558 252 HE1 HIS 27 HE1 HIS 27 -2.045 2.945 12.090 253 QB HIS 27 QB HIS 27 1.668 1.105 9.490 254 H GLU 28 HN GLU 28 3.483 1.597 8.164 255 HA GLU 28 HA GLU 28 4.781 3.881 8.668 256 1HB GLU 28 2HB GLU 28 5.602 1.528 7.686 257 2HB GLU 28 3HB GLU 28 5.719 2.430 6.187 258 1HG GLU 28 2HG GLU 28 7.864 2.719 7.047 259 2HG GLU 28 3HG GLU 28 7.066 4.157 7.673 260 QB GLU 28 QB GLU 28 5.660 1.978 6.937 261 QG GLU 28 QG GLU 28 7.465 3.438 7.360 262 H LEU 29 HN LEU 29 3.942 3.005 5.399 263 HA LEU 29 HA LEU 29 4.617 5.207 3.903 264 1HB LEU 29 2HB LEU 29 3.760 3.266 2.857 265 2HB LEU 29 3HB LEU 29 2.272 3.318 3.774 266 HG LEU 29 HG LEU 29 1.465 5.223 2.523 267 1HD1 LEU 29 1HD LEU 29 4.152 5.179 1.087 268 2HD1 LEU 29 2HD LEU 29 2.790 6.214 0.677 269 3HD1 LEU 29 3HD LEU 29 3.626 6.431 2.207 270 1HD2 LEU 29 3HD LEU 29 2.741 3.117 0.741 271 2HD2 LEU 29 1HD LEU 29 1.166 2.998 1.524 272 3HD2 LEU 29 2HD LEU 29 1.434 4.189 0.259 273 QB LEU 29 QB LEU 29 3.017 3.291 3.315 274 QD1 LEU 29 QD1 LEU 29 3.523 5.942 1.323 275 QD2 LEU 29 QD2 LEU 29 1.780 3.434 0.841 276 QQD LEU 29 QQD LEU 29 2.652 4.687 1.083 277 H ALA 30 HN ALA 30 1.363 4.830 5.310 278 HA ALA 30 HA ALA 30 0.034 7.062 4.515 279 1HB ALA 30 3HB ALA 30 0.233 6.100 7.396 280 2HB ALA 30 1HB ALA 30 -1.035 7.158 6.784 281 3HB ALA 30 2HB ALA 30 -0.890 5.510 6.180 282 QB ALA 30 QB ALA 30 -0.565 6.256 6.786 283 H SER 31 HN SER 31 2.464 7.103 7.087 284 HA SER 31 HA SER 31 2.477 9.704 7.974 285 1HB SER 31 2HB SER 31 5.007 8.241 7.116 286 2HB SER 31 3HB SER 31 4.835 9.418 8.437 287 HG SER 31 HG SER 31 4.200 6.759 8.378 288 QB SER 31 QB SER 31 4.921 8.829 7.776 289 H THR 32 HN THR 32 4.129 8.629 5.006 290 HA THR 32 HA THR 32 4.417 11.502 4.203 291 HB THR 32 HB THR 32 6.044 10.589 2.479 292 HG1 THR 32 1HG THR 32 4.778 8.334 3.296 293 1HG2 THR 32 3HG THR 32 6.910 11.150 4.807 294 2HG2 THR 32 1HG THR 32 6.584 9.484 5.278 295 3HG2 THR 32 2HG THR 32 7.789 9.830 4.042 296 QG2 THR 32 QG2 THR 32 7.095 10.155 4.709 297 NH1 ARG 33 NH2 ARG 33 -3.285 10.776 -0.403 298 NH2 ARG 33 NH1 ARG 33 -5.447 10.728 0.235 299 H ARG 33 HN ARG 33 2.051 9.667 4.038 300 HA ARG 33 HA ARG 33 0.807 8.627 2.126 301 1HB ARG 33 2HB ARG 33 -0.177 10.342 3.785 302 2HB ARG 33 3HB ARG 33 -0.059 11.495 2.459 303 1HG ARG 33 2HG ARG 33 -1.283 9.698 1.054 304 2HG ARG 33 3HG ARG 33 -1.681 8.948 2.588 305 1HD ARG 33 2HD ARG 33 -2.731 11.066 3.348 306 2HD ARG 33 3HD ARG 33 -2.343 11.818 1.797 307 HE ARG 33 HE ARG 33 -4.337 9.637 2.230 308 1HH1 ARG 33 2HH ARG 33 -2.322 10.597 -0.189 309 2HH1 ARG 33 1HH ARG 33 -3.540 11.039 -1.338 310 1HH2 ARG 33 2HH ARG 33 -6.122 10.597 0.953 311 2HH2 ARG 33 1HH ARG 33 -5.751 10.947 -0.701 312 QB ARG 33 QB ARG 33 -0.118 10.919 3.122 313 QG ARG 33 QG ARG 33 -1.482 9.323 1.821 314 QD ARG 33 QD ARG 33 -2.537 11.441 2.573 315 QH1 ARG 33 QH2 ARG 33 -2.931 10.818 -0.763 316 QH2 ARG 33 QH1 ARG 33 -5.937 10.773 0.126 317 H GLN 34 HN GLN 34 2.712 8.742 0.390 318 HA GLN 34 HA GLN 34 2.466 10.957 -1.506 319 1HB GLN 34 2HB GLN 34 3.748 8.225 -1.959 320 2HB GLN 34 3HB GLN 34 3.944 9.635 -2.984 321 1HG GLN 34 2HG GLN 34 4.929 10.835 -0.947 322 2HG GLN 34 3HG GLN 34 4.971 9.266 -0.151 323 1HE2 GLN 34 2HE GLN 34 7.847 8.200 -1.949 324 2HE2 GLN 34 1HE GLN 34 6.743 7.881 -0.696 325 QB GLN 34 QB GLN 34 3.845 8.930 -2.471 326 QG GLN 34 QG GLN 34 4.950 10.050 -0.549 327 QE2 GLN 34 QE2 GLN 34 7.295 8.041 -1.323 328 H ILE 35 HN ILE 35 0.607 8.304 -0.844 329 HA ILE 35 HA ILE 35 -0.644 8.281 -3.547 330 HB ILE 35 HB ILE 35 -1.271 5.876 -2.984 331 1HG1 ILE 35 2HG ILE 35 0.408 4.828 -1.279 332 2HG1 ILE 35 3HG ILE 35 0.595 6.449 -0.645 333 1HG2 ILE 35 2HG ILE 35 0.555 6.423 -4.525 334 2HG2 ILE 35 3HG ILE 35 1.677 6.524 -3.169 335 3HG2 ILE 35 1HG ILE 35 0.929 4.983 -3.583 336 1HD1 ILE 35 3HD ILE 35 -2.060 4.991 -0.918 337 2HD1 ILE 35 1HD ILE 35 -1.129 5.130 0.568 338 3HD1 ILE 35 2HD ILE 35 -1.817 6.562 -0.164 339 QG1 ILE 35 QG1 ILE 35 0.502 5.639 -0.962 340 QG2 ILE 35 QG2 ILE 35 1.054 5.977 -3.759 341 QD1 ILE 35 QD1 ILE 35 -1.668 5.561 -0.172 342 H ASP 36 HN ASP 36 -2.818 7.045 -3.292 343 HA ASP 36 HA ASP 36 -4.355 8.030 -0.922 344 1HB ASP 36 2HB ASP 36 -5.141 8.104 -3.865 345 2HB ASP 36 3HB ASP 36 -6.302 8.288 -2.566 346 QB ASP 36 QB ASP 36 -5.722 8.196 -3.216 347 H PHE 37 HN PHE 37 -6.328 6.627 -0.596 348 HA PHE 37 HA PHE 37 -5.798 3.848 -1.582 349 1HB PHE 37 2HB PHE 37 -7.257 4.713 0.952 350 2HB PHE 37 3HB PHE 37 -6.957 3.055 0.459 351 HD1 PHE 37 2HD PHE 37 -4.271 2.724 -0.193 352 HD2 PHE 37 1HD PHE 37 -5.859 5.459 2.652 353 HE1 PHE 37 2HE PHE 37 -2.132 2.712 1.009 354 HE2 PHE 37 1HE PHE 37 -3.697 5.482 3.831 355 HZ PHE 37 HZ PHE 37 -1.844 4.080 3.031 356 QB PHE 37 QB PHE 37 -7.106 3.884 0.705 357 QR PHE 37 QR PHE 37 -3.989 4.094 1.825 358 CH2 TRP 38 CH2 TRP 38 -11.982 1.324 -8.605 359 H TRP 38 HN TRP 38 -7.773 2.549 -1.863 360 HA TRP 38 HA TRP 38 -10.170 4.195 -2.593 361 1HB TRP 38 2HB TRP 38 -8.700 3.548 -4.560 362 2HB TRP 38 3HB TRP 38 -9.084 1.891 -4.215 363 HD1 TRP 38 HD1 TRP 38 -11.875 4.581 -4.130 364 HE1 TRP 38 HE1 TRP 38 -13.425 4.244 -6.066 365 HE3 TRP 38 HE3 TRP 38 -9.344 0.964 -6.490 366 HZ2 TRP 38 HZ2 TRP 38 -13.608 2.687 -8.348 367 HZ3 TRP 38 HZ3 TRP 38 -10.255 0.064 -8.617 368 HH2 TRP 38 HH2 TRP 38 -12.362 0.926 -9.535 369 QB TRP 38 QB TRP 38 -8.892 2.719 -4.387 370 H LYS 39 HN LYS 39 -8.957 0.892 -2.102 371 HA LYS 39 HA LYS 39 -11.350 0.294 -0.435 372 1HB LYS 39 2HB LYS 39 -11.908 -0.598 -2.665 373 2HB LYS 39 3HB LYS 39 -10.376 -1.456 -2.725 374 1HG LYS 39 2HG LYS 39 -11.247 -2.503 -0.416 375 2HG LYS 39 3HG LYS 39 -12.806 -1.992 -1.021 376 1HD LYS 39 2HD LYS 39 -12.270 -4.362 -1.587 377 2HD LYS 39 3HD LYS 39 -12.594 -3.367 -2.994 378 1HE LYS 39 2HE LYS 39 -10.555 -5.000 -3.043 379 2HE LYS 39 3HE LYS 39 -10.360 -3.384 -3.696 380 1HZ LYS 39 3HZ LYS 39 -9.690 -3.214 -1.002 381 2HZ LYS 39 1HZ LYS 39 -8.922 -4.619 -1.596 382 3HZ LYS 39 2HZ LYS 39 -8.670 -3.115 -2.347 383 QB LYS 39 QB LYS 39 -11.142 -1.027 -2.695 384 QG LYS 39 QG LYS 39 -12.026 -2.247 -0.719 385 QD LYS 39 QD LYS 39 -12.432 -3.864 -2.290 386 QE LYS 39 QE LYS 39 -10.457 -4.192 -3.370 387 QZ LYS 39 QZ LYS 39 -9.094 -3.649 -1.648 388 HA PRO 40 HA PRO 40 -11.696 -0.276 1.509 389 1HB PRO 40 2HB PRO 40 -10.016 0.063 3.947 390 2HB PRO 40 3HB PRO 40 -11.567 -0.769 3.769 391 1HG PRO 40 2HG PRO 40 -9.249 -2.147 4.110 392 2HG PRO 40 3HG PRO 40 -10.542 -2.780 3.077 393 1HD PRO 40 2HD PRO 40 -7.987 -1.380 2.271 394 2HD PRO 40 3HD PRO 40 -8.791 -2.767 1.501 395 QB PRO 40 QB PRO 40 -10.792 -0.353 3.859 396 QG PRO 40 QG PRO 40 -9.895 -2.464 3.594 397 QD PRO 40 QD PRO 40 -8.388 -2.073 1.886 398 H ASP 41 HN ASP 41 -11.083 1.740 3.644 399 HA ASP 41 HA ASP 41 -10.217 3.937 1.813 400 1HB ASP 41 2HB ASP 41 -11.534 5.400 3.242 401 2HB ASP 41 3HB ASP 41 -12.528 4.005 2.837 402 QB ASP 41 QB ASP 41 -12.031 4.702 3.040 403 H SER 42 HN SER 42 -9.924 2.885 5.194 404 HA SER 42 HA SER 42 -7.603 4.707 5.509 405 1HB SER 42 2HB SER 42 -9.387 3.214 7.459 406 2HB SER 42 3HB SER 42 -7.925 4.079 7.979 407 HG SER 42 HG SER 42 -10.195 5.108 6.564 408 QB SER 42 QB SER 42 -8.656 3.647 7.719 409 H VAL 43 HN VAL 43 -5.818 3.816 6.890 410 HA VAL 43 HA VAL 43 -4.944 1.222 5.726 411 HB VAL 43 HB VAL 43 -3.536 3.159 5.296 412 1HG1 VAL 43 2HG VAL 43 -3.413 3.459 8.322 413 2HG1 VAL 43 3HG VAL 43 -2.489 4.415 7.168 414 3HG1 VAL 43 1HG VAL 43 -4.238 4.551 7.213 415 1HG2 VAL 43 2HG VAL 43 -2.360 1.009 5.711 416 2HG2 VAL 43 3HG VAL 43 -1.390 2.395 6.189 417 3HG2 VAL 43 1HG VAL 43 -2.209 1.427 7.414 418 QG1 VAL 43 QG1 VAL 43 -3.380 4.142 7.568 419 QG2 VAL 43 QG2 VAL 43 -1.986 1.611 6.437 420 QQG VAL 43 QQG VAL 43 -2.683 2.876 7.002 421 H THR 44 HN THR 44 -5.949 2.622 8.648 422 HA THR 44 HA THR 44 -4.712 0.640 10.433 423 HB THR 44 HB THR 44 -6.538 1.965 11.984 424 HG1 THR 44 1HG THR 44 -7.422 3.454 10.766 425 1HG2 THR 44 1HG THR 44 -4.052 3.318 10.833 426 2HG2 THR 44 2HG THR 44 -4.862 3.762 12.332 427 3HG2 THR 44 3HG THR 44 -4.031 2.215 12.209 428 QG2 THR 44 QG2 THR 44 -4.315 3.098 11.791 429 H GLN 45 HN GLN 45 -7.520 0.990 8.551 430 HA GLN 45 HA GLN 45 -8.989 -1.054 10.144 431 1HB GLN 45 2HB GLN 45 -10.074 0.544 7.809 432 2HB GLN 45 3HB GLN 45 -10.986 -0.276 9.069 433 1HG GLN 45 2HG GLN 45 -9.235 2.198 9.403 434 2HG GLN 45 3HG GLN 45 -10.980 2.125 9.563 435 1HE2 GLN 45 2HE GLN 45 -10.260 -0.071 12.633 436 2HE2 GLN 45 1HE GLN 45 -10.772 -0.516 11.078 437 QB GLN 45 QB GLN 45 -10.530 0.134 8.438 438 QG GLN 45 QG GLN 45 -10.108 2.161 9.483 439 QE2 GLN 45 QE2 GLN 45 -10.516 -0.293 11.855 440 H ILE 46 HN ILE 46 -6.949 -2.083 9.094 441 HA ILE 46 HA ILE 46 -7.886 -3.683 6.752 442 HB ILE 46 HB ILE 46 -5.321 -2.177 7.185 443 1HG1 ILE 46 2HG ILE 46 -6.838 -2.998 4.681 444 2HG1 ILE 46 3HG ILE 46 -7.036 -1.467 5.525 445 1HG2 ILE 46 2HG ILE 46 -4.528 -4.517 7.210 446 2HG2 ILE 46 3HG ILE 46 -5.382 -4.836 5.704 447 3HG2 ILE 46 1HG ILE 46 -4.032 -3.713 5.739 448 1HD1 ILE 46 1HD ILE 46 -4.632 -0.949 5.132 449 2HD1 ILE 46 2HD ILE 46 -4.453 -2.465 4.261 450 3HD1 ILE 46 3HD ILE 46 -5.492 -1.204 3.617 451 QG1 ILE 46 QG1 ILE 46 -6.936 -2.232 5.103 452 QG2 ILE 46 QG2 ILE 46 -4.647 -4.356 6.217 453 QD1 ILE 46 QD1 ILE 46 -4.859 -1.539 4.337 454 H LYS 47 HN LYS 47 -7.003 -5.868 6.801 455 HA LYS 47 HA LYS 47 -5.867 -6.680 9.433 456 1HB LYS 47 2HB LYS 47 -7.403 -8.658 9.455 457 2HB LYS 47 3HB LYS 47 -8.287 -7.143 9.542 458 1HG LYS 47 2HG LYS 47 -9.013 -7.289 7.312 459 2HG LYS 47 3HG LYS 47 -7.743 -8.409 6.875 460 1HD LYS 47 2HD LYS 47 -8.915 -10.027 8.594 461 2HD LYS 47 3HD LYS 47 -10.294 -8.952 8.378 462 1HE LYS 47 2HE LYS 47 -10.357 -10.852 6.768 463 2HE LYS 47 3HE LYS 47 -10.218 -9.302 5.939 464 1HZ LYS 47 2HZ LYS 47 -7.637 -10.296 6.571 465 2HZ LYS 47 3HZ LYS 47 -8.486 -11.473 5.710 466 3HZ LYS 47 1HZ LYS 47 -8.287 -9.916 5.062 467 QB LYS 47 QB LYS 47 -7.845 -7.901 9.498 468 QG LYS 47 QG LYS 47 -8.378 -7.848 7.093 469 QD LYS 47 QD LYS 47 -9.604 -9.489 8.487 470 QE LYS 47 QE LYS 47 -10.288 -10.077 6.353 471 QZ LYS 47 QZ LYS 47 -8.136 -10.562 5.781 472 HA PRO 48 HA PRO 48 -3.023 -9.341 7.264 473 1HB PRO 48 2HB PRO 48 -4.387 -11.612 8.694 474 2HB PRO 48 3HB PRO 48 -2.660 -11.284 8.525 475 1HG PRO 48 2HG PRO 48 -3.930 -10.691 10.822 476 2HG PRO 48 3HG PRO 48 -2.692 -9.599 10.190 477 1HD PRO 48 2HD PRO 48 -5.669 -9.278 10.179 478 2HD PRO 48 3HD PRO 48 -4.409 -8.030 10.267 479 QB PRO 48 QB PRO 48 -3.524 -11.449 8.610 480 QG PRO 48 QG PRO 48 -3.311 -10.144 10.506 481 QD PRO 48 QD PRO 48 -5.039 -8.654 10.223 482 H HIS 49 HN HIS 49 -2.893 -11.069 5.744 483 HA HIS 49 HA HIS 49 -3.547 -11.832 3.631 484 1HB HIS 49 2HB HIS 49 -4.977 -13.762 3.813 485 2HB HIS 49 3HB HIS 49 -3.861 -13.708 5.148 486 HD1 HIS 49 HD1 HIS 49 -7.399 -13.022 4.373 487 HD2 HIS 49 HD2 HIS 49 -5.110 -13.784 7.701 488 HE1 HIS 49 HE1 HIS 49 -9.021 -13.446 6.284 489 QB HIS 49 QB HIS 49 -4.418 -13.734 4.481 490 H SER 50 HN SER 50 -4.335 -9.460 3.514 491 HA SER 50 HA SER 50 -7.131 -9.559 2.439 492 1HB SER 50 2HB SER 50 -5.906 -7.240 3.992 493 2HB SER 50 3HB SER 50 -7.531 -7.262 3.275 494 HG SER 50 HG SER 50 -6.468 -8.667 5.435 495 QB SER 50 QB SER 50 -6.719 -7.251 3.634 496 H THR 51 HN THR 51 -7.554 -7.858 0.859 497 HA THR 51 HA THR 51 -5.099 -7.141 -0.686 498 HB THR 51 HB THR 51 -7.156 -6.943 -2.518 499 HG1 THR 51 1HG THR 51 -8.792 -8.042 -1.773 500 1HG2 THR 51 3HG THR 51 -5.861 -9.576 -1.672 501 2HG2 THR 51 1HG THR 51 -6.572 -9.243 -3.247 502 3HG2 THR 51 2HG THR 51 -5.097 -8.414 -2.749 503 QG2 THR 51 QG2 THR 51 -5.843 -9.077 -2.556 504 H VAL 52 HN VAL 52 -4.693 -5.053 -0.949 505 HA VAL 52 HA VAL 52 -6.846 -3.088 -0.260 506 HB VAL 52 HB VAL 52 -5.096 -1.631 0.573 507 1HG1 VAL 52 3HG VAL 52 -4.579 -4.497 1.470 508 2HG1 VAL 52 1HG VAL 52 -4.140 -3.053 2.367 509 3HG1 VAL 52 2HG VAL 52 -5.833 -3.439 2.104 510 1HG2 VAL 52 1HG VAL 52 -3.153 -3.745 -0.423 511 2HG2 VAL 52 2HG VAL 52 -3.382 -2.159 -1.154 512 3HG2 VAL 52 3HG VAL 52 -2.704 -2.294 0.460 513 QG1 VAL 52 QG1 VAL 52 -4.851 -3.663 1.980 514 QG2 VAL 52 QG2 VAL 52 -3.079 -2.732 -0.372 515 QQG VAL 52 QQG VAL 52 -3.966 -3.198 0.804 516 H ASP 53 HN ASP 53 -7.057 -1.291 -1.615 517 HA ASP 53 HA ASP 53 -5.620 -1.532 -4.233 518 1HB ASP 53 2HB ASP 53 -8.510 -0.836 -3.655 519 2HB ASP 53 3HB ASP 53 -7.750 -0.526 -5.206 520 QB ASP 53 QB ASP 53 -8.130 -0.681 -4.431 521 H PHE 54 HN PHE 54 -4.452 0.172 -4.689 522 HA PHE 54 HA PHE 54 -4.981 2.725 -3.240 523 1HB PHE 54 2HB PHE 54 -2.449 1.720 -4.605 524 2HB PHE 54 3HB PHE 54 -2.609 3.273 -3.809 525 HD1 PHE 54 2HD PHE 54 -4.457 0.993 -1.826 526 HD2 PHE 54 1HD PHE 54 -0.456 2.109 -2.771 527 HE1 PHE 54 2HE PHE 54 -3.684 -0.002 0.263 528 HE2 PHE 54 1HE PHE 54 0.314 1.082 -0.680 529 HZ PHE 54 HZ PHE 54 -1.302 0.046 0.836 530 QB PHE 54 QB PHE 54 -2.529 2.496 -4.207 531 QR PHE 54 QR PHE 54 -2.071 1.046 -1.254 532 NH1 ARG 55 NH2 ARG 55 -4.129 9.424 -5.586 533 NH2 ARG 55 NH1 ARG 55 -5.636 11.125 -5.718 534 H ARG 55 HN ARG 55 -4.409 4.659 -4.407 535 HA ARG 55 HA ARG 55 -5.046 4.537 -7.341 536 1HB ARG 55 2HB ARG 55 -6.852 5.628 -5.991 537 2HB ARG 55 3HB ARG 55 -5.667 6.758 -5.349 538 1HG ARG 55 2HG ARG 55 -5.177 7.202 -7.941 539 2HG ARG 55 3HG ARG 55 -6.802 6.566 -8.128 540 1HD ARG 55 2HD ARG 55 -7.559 8.645 -7.650 541 2HD ARG 55 3HD ARG 55 -7.026 8.387 -5.988 542 HE ARG 55 HE ARG 55 -5.412 9.782 -8.122 543 1HH1 ARG 55 2HH ARG 55 -3.778 8.556 -5.955 544 2HH1 ARG 55 1HH ARG 55 -3.706 9.821 -4.768 545 1HH2 ARG 55 2HH ARG 55 -6.382 11.572 -6.225 546 2HH2 ARG 55 1HH ARG 55 -5.293 11.526 -4.865 547 QB ARG 55 QB ARG 55 -6.260 6.194 -5.670 548 QG ARG 55 QG ARG 55 -5.989 6.885 -8.035 549 QD ARG 55 QD ARG 55 -7.292 8.516 -6.819 550 QH1 ARG 55 QH2 ARG 55 -3.742 9.189 -5.361 551 QH2 ARG 55 QH1 ARG 55 -5.838 11.549 -5.545 552 H VAL 56 HN VAL 56 -3.337 5.227 -8.552 553 HA VAL 56 HA VAL 56 -1.216 6.757 -7.171 554 HB VAL 56 HB VAL 56 0.195 5.943 -8.977 555 1HG1 VAL 56 3HG VAL 56 -1.478 3.731 -7.763 556 2HG1 VAL 56 1HG VAL 56 0.127 3.516 -8.460 557 3HG1 VAL 56 2HG VAL 56 -0.080 4.494 -7.014 558 1HG2 VAL 56 1HG VAL 56 -1.445 5.907 -10.812 559 2HG2 VAL 56 2HG VAL 56 -0.630 4.355 -10.670 560 3HG2 VAL 56 3HG VAL 56 -2.260 4.552 -10.041 561 QG1 VAL 56 QG1 VAL 56 -0.478 3.914 -7.746 562 QG2 VAL 56 QG2 VAL 56 -1.445 4.938 -10.507 563 QQG VAL 56 QQG VAL 56 -0.961 4.426 -9.127 564 H LYS 57 HN LYS 57 -0.270 8.493 -8.237 565 HA LYS 57 HA LYS 57 -2.118 9.947 -10.069 566 1HB LYS 57 2HB LYS 57 -1.680 11.166 -8.022 567 2HB LYS 57 3HB LYS 57 0.044 10.900 -8.150 568 1HG LYS 57 2HG LYS 57 -0.345 13.152 -8.829 569 2HG LYS 57 3HG LYS 57 0.043 12.244 -10.273 570 1HD LYS 57 2HD LYS 57 -2.592 11.962 -10.443 571 2HD LYS 57 3HD LYS 57 -2.609 13.370 -9.392 572 1HE LYS 57 2HE LYS 57 -2.625 14.170 -11.682 573 2HE LYS 57 3HE LYS 57 -1.033 14.508 -11.003 574 1HZ LYS 57 2HZ LYS 57 -1.215 11.890 -12.208 575 2HZ LYS 57 3HZ LYS 57 -1.505 13.145 -13.310 576 3HZ LYS 57 1HZ LYS 57 -0.044 13.115 -12.417 577 QB LYS 57 QB LYS 57 -0.818 11.033 -8.086 578 QG LYS 57 QG LYS 57 -0.151 12.698 -9.551 579 QD LYS 57 QD LYS 57 -2.600 12.666 -9.918 580 QE LYS 57 QE LYS 57 -1.828 14.339 -11.343 581 QZ LYS 57 QZ LYS 57 -0.921 12.716 -12.645 582 H ALA 58 HN ALA 58 0.962 8.468 -9.822 583 HA ALA 58 HA ALA 58 1.959 7.674 -11.995 584 1HB ALA 58 1HB ALA 58 0.730 9.297 -13.436 585 2HB ALA 58 2HB ALA 58 1.712 10.611 -12.787 586 3HB ALA 58 3HB ALA 58 2.459 9.349 -13.758 587 QB ALA 58 QB ALA 58 1.634 9.753 -13.327 588 H GLU 59 HN GLU 59 2.767 10.956 -10.975 589 HA GLU 59 HA GLU 59 5.564 10.656 -10.935 590 1HB GLU 59 2HB GLU 59 5.367 12.578 -9.156 591 2HB GLU 59 3HB GLU 59 4.817 12.876 -10.796 592 1HG GLU 59 2HG GLU 59 2.741 11.721 -9.012 593 2HG GLU 59 3HG GLU 59 3.300 13.311 -8.530 594 QB GLU 59 QB GLU 59 5.092 12.727 -9.976 595 QG GLU 59 QG GLU 59 3.021 12.516 -8.771 596 H ASP 60 HN ASP 60 3.180 9.781 -8.534 597 HA ASP 60 HA ASP 60 5.113 9.184 -6.428 598 1HB ASP 60 2HB ASP 60 3.095 8.143 -5.296 599 2HB ASP 60 3HB ASP 60 2.824 9.814 -5.790 600 QB ASP 60 QB ASP 60 2.959 8.978 -5.543 601 H ILE 61 HN ILE 61 3.279 7.307 -8.801 602 HA ILE 61 HA ILE 61 3.456 4.709 -8.118 603 HB ILE 61 HB ILE 61 4.456 5.775 -10.791 604 1HG1 ILE 61 2HG ILE 61 1.743 4.779 -9.836 605 2HG1 ILE 61 3HG ILE 61 2.142 6.441 -10.226 606 1HG2 ILE 61 3HG ILE 61 5.176 3.413 -10.358 607 2HG2 ILE 61 1HG ILE 61 3.506 2.977 -10.021 608 3HG2 ILE 61 2HG ILE 61 3.978 3.494 -11.635 609 1HD1 ILE 61 3HD ILE 61 2.646 5.719 -12.587 610 2HD1 ILE 61 1HD ILE 61 2.114 4.094 -12.164 611 3HD1 ILE 61 2HD ILE 61 0.970 5.426 -12.129 612 QG1 ILE 61 QG1 ILE 61 1.943 5.610 -10.031 613 QG2 ILE 61 QG2 ILE 61 4.220 3.295 -10.672 614 QD1 ILE 61 QD1 ILE 61 1.910 5.079 -12.293 615 H LEU 62 HN LEU 62 6.290 6.249 -9.600 616 HA LEU 62 HA LEU 62 8.186 4.256 -9.354 617 1HB LEU 62 2HB LEU 62 8.507 7.208 -8.724 618 2HB LEU 62 3HB LEU 62 9.866 6.114 -8.837 619 HG LEU 62 HG LEU 62 9.655 7.287 -10.946 620 1HD1 LEU 62 1HD LEU 62 10.277 4.894 -11.066 621 2HD1 LEU 62 2HD LEU 62 8.585 4.462 -11.277 622 3HD1 LEU 62 3HD LEU 62 9.409 5.412 -12.505 623 1HD2 LEU 62 2HD LEU 62 7.214 7.859 -10.733 624 2HD2 LEU 62 3HD LEU 62 7.665 7.256 -12.323 625 3HD2 LEU 62 1HD LEU 62 6.830 6.201 -11.200 626 QB LEU 62 QB LEU 62 9.186 6.661 -8.780 627 QD1 LEU 62 QD1 LEU 62 9.424 4.922 -11.616 628 QD2 LEU 62 QD2 LEU 62 7.236 7.105 -11.419 629 QQD LEU 62 QQD LEU 62 8.330 6.014 -11.517 630 H ALA 63 HN ALA 63 7.278 6.521 -6.806 631 HA ALA 63 HA ALA 63 8.990 5.343 -4.803 632 1HB ALA 63 1HB ALA 63 6.477 7.034 -4.493 633 2HB ALA 63 2HB ALA 63 7.614 6.663 -3.201 634 3HB ALA 63 3HB ALA 63 8.127 7.644 -4.571 635 QB ALA 63 QB ALA 63 7.406 7.114 -4.088 636 H VAL 64 HN VAL 64 5.630 4.849 -5.760 637 HA VAL 64 HA VAL 64 4.971 3.131 -3.547 638 HB VAL 64 HB VAL 64 3.851 3.108 -6.396 639 1HG1 VAL 64 3HG VAL 64 2.663 2.146 -3.764 640 2HG1 VAL 64 1HG VAL 64 1.833 2.155 -5.317 641 3HG1 VAL 64 2HG VAL 64 3.230 1.118 -5.076 642 1HG2 VAL 64 3HG VAL 64 2.958 4.663 -3.935 643 2HG2 VAL 64 1HG VAL 64 3.707 5.356 -5.365 644 3HG2 VAL 64 2HG VAL 64 2.110 4.633 -5.482 645 QG1 VAL 64 QG1 VAL 64 2.575 1.807 -4.719 646 QG2 VAL 64 QG2 VAL 64 2.924 4.884 -4.927 647 QQG VAL 64 QQG VAL 64 2.750 3.346 -4.823 648 H GLU 65 HN GLU 65 5.929 2.368 -6.899 649 HA GLU 65 HA GLU 65 6.177 -0.420 -6.597 650 1HB GLU 65 2HB GLU 65 8.160 1.228 -8.209 651 2HB GLU 65 3HB GLU 65 7.586 -0.403 -8.539 652 1HG GLU 65 2HG GLU 65 6.023 2.179 -8.809 653 2HG GLU 65 3HG GLU 65 6.426 1.024 -10.071 654 QB GLU 65 QB GLU 65 7.874 0.412 -8.374 655 QG GLU 65 QG GLU 65 6.224 1.601 -9.441 656 H ASP 66 HN ASP 66 8.717 2.035 -6.206 657 HA ASP 66 HA ASP 66 10.763 0.348 -5.222 658 1HB ASP 66 2HB ASP 66 10.884 2.827 -5.884 659 2HB ASP 66 3HB ASP 66 10.179 3.222 -4.335 660 QB ASP 66 QB ASP 66 10.532 3.024 -5.110 661 H PHE 67 HN PHE 67 8.748 2.451 -3.255 662 HA PHE 67 HA PHE 67 9.271 1.659 -0.689 663 1HB PHE 67 2HB PHE 67 7.574 3.400 -1.251 664 2HB PHE 67 3HB PHE 67 6.498 2.147 -1.849 665 HD1 PHE 67 2HD PHE 67 8.569 2.707 1.242 666 HD2 PHE 67 1HD PHE 67 4.817 1.473 -0.362 667 HE1 PHE 67 2HE PHE 67 7.737 2.272 3.516 668 HE2 PHE 67 1HE PHE 67 4.003 1.018 1.905 669 HZ PHE 67 HZ PHE 67 5.477 1.362 3.844 670 QB PHE 67 QB PHE 67 7.036 2.774 -1.549 671 QR PHE 67 QR PHE 67 6.282 1.868 1.576 672 H LEU 68 HN LEU 68 6.813 0.143 -2.733 673 HA LEU 68 HA LEU 68 6.298 -1.956 -0.794 674 1HB LEU 68 2HB LEU 68 5.650 -1.897 -3.772 675 2HB LEU 68 3HB LEU 68 4.909 -2.951 -2.577 676 HG LEU 68 HG LEU 68 4.736 0.097 -2.550 677 1HD1 LEU 68 3HD LEU 68 3.446 -1.001 -4.403 678 2HD1 LEU 68 1HD LEU 68 2.611 -1.980 -3.201 679 3HD1 LEU 68 2HD LEU 68 2.403 -0.232 -3.211 680 1HD2 LEU 68 3HD LEU 68 3.367 -2.025 -0.877 681 2HD2 LEU 68 1HD LEU 68 4.610 -0.916 -0.300 682 3HD2 LEU 68 2HD LEU 68 3.038 -0.302 -0.795 683 QB LEU 68 QB LEU 68 5.280 -2.423 -3.174 684 QD1 LEU 68 QD1 LEU 68 2.820 -1.071 -3.605 685 QD2 LEU 68 QD2 LEU 68 3.672 -1.081 -0.657 686 QQD LEU 68 QQD LEU 68 3.246 -1.076 -2.131 687 H GLU 69 HN GLU 69 7.662 -2.161 -4.042 688 HA GLU 69 HA GLU 69 8.546 -4.770 -4.092 689 1HB GLU 69 2HB GLU 69 8.734 -2.901 -5.882 690 2HB GLU 69 3HB GLU 69 10.242 -2.472 -5.103 691 1HG GLU 69 2HG GLU 69 11.121 -4.742 -5.473 692 2HG GLU 69 3HG GLU 69 9.600 -5.220 -6.224 693 QB GLU 69 QB GLU 69 9.488 -2.687 -5.492 694 QG GLU 69 QG GLU 69 10.361 -4.980 -5.849 695 H GLN 70 HN GLN 70 10.427 -2.051 -2.859 696 HA GLN 70 HA GLN 70 12.825 -3.256 -2.174 697 1HB GLN 70 2HB GLN 70 11.201 -1.135 -0.779 698 2HB GLN 70 3HB GLN 70 12.653 -1.748 -0.002 699 1HG GLN 70 2HG GLN 70 13.889 -1.252 -2.182 700 2HG GLN 70 3HG GLN 70 12.442 -0.396 -2.704 701 1HE2 GLN 70 2HE GLN 70 13.327 2.477 -0.876 702 2HE2 GLN 70 1HE GLN 70 12.462 1.791 -2.166 703 QB GLN 70 QB GLN 70 11.927 -1.441 -0.391 704 QG GLN 70 QG GLN 70 13.166 -0.825 -2.443 705 QE2 GLN 70 QE2 GLN 70 12.894 2.134 -1.521 706 H ASN 71 HN ASN 71 9.812 -3.386 -0.358 707 HA ASN 71 HA ASN 71 11.008 -5.454 1.443 708 1HB ASN 71 2HB ASN 71 8.355 -4.097 1.885 709 2HB ASN 71 3HB ASN 71 9.463 -4.760 3.060 710 1HD2 ASN 71 2HD ASN 71 9.698 -0.884 2.178 711 2HD2 ASN 71 1HD ASN 71 8.417 -1.866 1.669 712 QB ASN 71 QB ASN 71 8.909 -4.428 2.472 713 QD2 ASN 71 QD2 ASN 71 9.058 -1.375 1.923 714 H GLU 72 HN GLU 72 9.535 -5.254 -1.307 715 HA GLU 72 HA GLU 72 8.470 -6.785 -2.635 716 1HB GLU 72 2HB GLU 72 9.313 -8.680 -1.384 717 2HB GLU 72 3HB GLU 72 8.158 -8.401 -0.098 718 1HG GLU 72 2HG GLU 72 7.394 -10.261 -1.487 719 2HG GLU 72 3HG GLU 72 6.294 -8.910 -1.685 720 QB GLU 72 QB GLU 72 8.735 -8.541 -0.741 721 QG GLU 72 QG GLU 72 6.845 -9.585 -1.587 722 H LEU 73 HN LEU 73 7.033 -6.221 0.330 723 HA LEU 73 HA LEU 73 4.668 -6.318 0.905 724 1HB LEU 73 2HB LEU 73 5.973 -3.926 0.605 725 2HB LEU 73 3HB LEU 73 4.591 -3.682 -0.432 726 HG LEU 73 HG LEU 73 3.140 -4.537 1.528 727 1HD1 LEU 73 3HD LEU 73 5.797 -4.151 2.926 728 2HD1 LEU 73 1HD LEU 73 4.268 -4.307 3.770 729 3HD1 LEU 73 2HD LEU 73 4.883 -5.646 2.817 730 1HD2 LEU 73 3HD LEU 73 4.740 -1.984 1.967 731 2HD2 LEU 73 1HD LEU 73 3.218 -2.124 1.095 732 3HD2 LEU 73 2HD LEU 73 3.261 -2.406 2.824 733 QB LEU 73 QB LEU 73 5.282 -3.804 0.086 734 QD1 LEU 73 QD1 LEU 73 4.983 -4.701 3.171 735 QD2 LEU 73 QD2 LEU 73 3.740 -2.171 1.962 736 QQD LEU 73 QQD LEU 73 4.361 -3.437 2.567 737 H GLN 74 HN GLN 74 4.697 -7.895 -0.956 738 HA GLN 74 HA GLN 74 3.911 -8.433 -3.232 739 1HB GLN 74 2HB GLN 74 1.817 -8.639 -1.057 740 2HB GLN 74 3HB GLN 74 1.694 -9.480 -2.597 741 1HG GLN 74 2HG GLN 74 3.781 -10.692 -2.147 742 2HG GLN 74 3HG GLN 74 4.031 -9.775 -0.667 743 1HE2 GLN 74 2HE GLN 74 2.229 -12.129 1.211 744 2HE2 GLN 74 1HE GLN 74 3.447 -10.940 1.145 745 QB GLN 74 QB GLN 74 1.756 -9.060 -1.827 746 QG GLN 74 QG GLN 74 3.906 -10.233 -1.408 747 QE2 GLN 74 QE2 GLN 74 2.838 -11.534 1.178 748 OH TYR 75 OH TYR 75 7.747 -5.459 -7.832 749 H TYR 75 HN TYR 75 3.665 -6.828 -4.745 750 HA TYR 75 HA TYR 75 1.037 -5.395 -4.740 751 1HB TYR 75 2HB TYR 75 2.211 -3.547 -5.928 752 2HB TYR 75 3HB TYR 75 2.916 -3.850 -4.344 753 HD1 TYR 75 HD1 TYR 75 5.037 -5.270 -4.204 754 HD2 TYR 75 HD2 TYR 75 3.546 -3.807 -7.908 755 HE1 TYR 75 HE1 TYR 75 7.152 -5.856 -5.289 756 HE2 TYR 75 HE2 TYR 75 5.693 -4.305 -8.969 757 HH TYR 75 HH TYR 75 8.390 -4.737 -7.706 758 QB TYR 75 QB TYR 75 2.563 -3.698 -5.135 759 QR TYR 75 QR TYR 75 5.357 -4.810 -6.593 760 H GLU 76 HN GLU 76 0.159 -4.888 -6.878 761 HA GLU 76 HA GLU 76 1.300 -6.208 -9.225 762 1HB GLU 76 2HB GLU 76 -0.448 -7.835 -9.594 763 2HB GLU 76 3HB GLU 76 0.134 -8.081 -7.956 764 1HG GLU 76 2HG GLU 76 -1.774 -6.723 -7.098 765 2HG GLU 76 3HG GLU 76 -2.371 -6.542 -8.742 766 QB GLU 76 QB GLU 76 -0.156 -7.958 -8.775 767 QG GLU 76 QG GLU 76 -2.072 -6.632 -7.920 768 H VAL 77 HN VAL 77 0.293 -5.559 -11.175 769 HA VAL 77 HA VAL 77 -1.846 -3.483 -10.911 770 HB VAL 77 HB VAL 77 0.445 -2.608 -11.492 771 1HG1 VAL 77 1HG VAL 77 1.258 -4.540 -12.787 772 2HG1 VAL 77 2HG VAL 77 0.055 -4.226 -14.034 773 3HG1 VAL 77 3HG VAL 77 1.349 -3.070 -13.749 774 1HG2 VAL 77 3HG VAL 77 -1.575 -1.372 -12.198 775 2HG2 VAL 77 1HG VAL 77 -0.310 -1.220 -13.415 776 3HG2 VAL 77 2HG VAL 77 -1.653 -2.324 -13.680 777 QG1 VAL 77 QG1 VAL 77 0.888 -3.945 -13.523 778 QG2 VAL 77 QG2 VAL 77 -1.179 -1.638 -13.097 779 QQG VAL 77 QQG VAL 77 -0.146 -2.792 -13.310 780 H LEU 78 HN LEU 78 -3.520 -3.595 -12.556 781 HA LEU 78 HA LEU 78 -3.341 -6.060 -14.260 782 1HB LEU 78 2HB LEU 78 -5.725 -6.516 -13.791 783 2HB LEU 78 3HB LEU 78 -4.734 -6.588 -12.347 784 HG LEU 78 HG LEU 78 -5.648 -3.869 -12.655 785 1HD1 LEU 78 2HD LEU 78 -7.451 -4.848 -14.059 786 2HD1 LEU 78 3HD LEU 78 -7.860 -5.959 -12.759 787 3HD1 LEU 78 1HD LEU 78 -8.091 -4.226 -12.544 788 1HD2 LEU 78 2HD LEU 78 -5.058 -5.011 -10.521 789 2HD2 LEU 78 3HD LEU 78 -6.676 -4.318 -10.452 790 3HD2 LEU 78 1HD LEU 78 -6.470 -6.051 -10.699 791 QB LEU 78 QB LEU 78 -5.229 -6.552 -13.070 792 QD1 LEU 78 QD1 LEU 78 -7.801 -5.011 -13.121 793 QD2 LEU 78 QD2 LEU 78 -6.067 -5.127 -10.557 794 QQD LEU 78 QQD LEU 78 -6.934 -5.069 -11.840 795 H ILE 79 HN ILE 79 -2.797 -3.554 -15.366 796 HA ILE 79 HA ILE 79 -4.981 -3.430 -17.321 797 HB ILE 79 HB ILE 79 -5.628 -1.655 -15.813 798 1HG1 ILE 79 2HG ILE 79 -4.100 -0.314 -18.067 799 2HG1 ILE 79 3HG ILE 79 -5.600 -1.194 -18.321 800 1HG2 ILE 79 3HG ILE 79 -2.762 -0.668 -16.019 801 2HG2 ILE 79 1HG ILE 79 -4.067 0.153 -15.170 802 3HG2 ILE 79 2HG ILE 79 -3.501 -1.410 -14.603 803 1HD1 ILE 79 3HD ILE 79 -6.742 0.324 -16.705 804 2HD1 ILE 79 1HD ILE 79 -5.234 1.217 -16.510 805 3HD1 ILE 79 2HD ILE 79 -6.054 1.213 -18.062 806 QG1 ILE 79 QG1 ILE 79 -4.849 -0.754 -18.195 807 QG2 ILE 79 QG2 ILE 79 -3.443 -0.641 -15.264 808 QD1 ILE 79 QD1 ILE 79 -6.010 0.918 -17.092 809 H ASN 80 HN ASN 80 -4.148 -3.424 -19.238 810 HA ASN 80 HA ASN 80 -1.736 -3.932 -20.207 811 1HB ASN 80 2HB ASN 80 -3.706 -3.303 -21.622 812 2HB ASN 80 3HB ASN 80 -3.335 -1.609 -21.342 813 1HD2 ASN 80 2HD ASN 80 -0.099 -3.060 -23.213 814 2HD2 ASN 80 1HD ASN 80 -0.363 -3.257 -21.548 815 QB ASN 80 QB ASN 80 -3.521 -2.456 -21.482 816 QD2 ASN 80 QD2 ASN 80 -0.231 -3.158 -22.380 817 H ASN 81 HN ASN 81 -2.587 -0.654 -19.239 818 HA ASN 81 HA ASN 81 0.311 0.044 -19.072 819 1HB ASN 81 2HB ASN 81 -0.637 1.296 -20.911 820 2HB ASN 81 3HB ASN 81 -2.059 1.721 -19.967 821 1HD2 ASN 81 ASN 81 -0.358 4.246 -18.092 822 2HD2 ASN 81 1HD ASN 81 -1.570 3.073 -17.947 823 QB ASN 81 QB ASN 81 -1.348 1.508 -20.439 824 QD2 ASN 81 QD2 ASN 81 -0.963 3.659 -18.019 Start of MODEL 7 Raw file had 824 H/Q atoms Start of MODEL 7 1 1H HIS 1 HN1 HIS 1 2.967 9.054 -19.249 2 2H HIS 1 HN2 HIS 1 1.812 9.111 -18.064 3 3H HIS 1 HN3 HIS 1 2.666 10.476 -18.454 4 HA HIS 1 HA HIS 1 4.131 10.032 -16.918 5 1HB HIS 1 2HB HIS 1 3.452 8.683 -15.269 6 2HB HIS 1 3HB HIS 1 2.053 8.379 -16.236 7 HD1 HIS 1 HD1 HIS 1 1.802 6.051 -17.190 8 HD2 HIS 1 HD2 HIS 1 5.382 6.488 -15.180 9 HE1 HIS 1 HE1 HIS 1 2.755 3.748 -16.909 10 QB HIS 1 QB HIS 1 2.752 8.531 -15.753 11 H HIS 2 HN HIS 2 3.689 6.946 -18.749 12 HA HIS 2 HA HIS 2 6.677 6.903 -19.037 13 1HB HIS 2 2HB HIS 2 5.655 4.946 -17.940 14 2HB HIS 2 3HB HIS 2 4.655 4.671 -19.340 15 HD1 HIS 2 HD1 HIS 2 6.061 4.107 -21.571 16 HD2 HIS 2 HD2 HIS 2 8.154 3.641 -18.041 17 HE1 HIS 2 HE1 HIS 2 8.094 2.716 -22.107 18 QB HIS 2 QB HIS 2 5.154 4.809 -18.640 19 H SER 3 HN SER 3 7.569 6.145 -21.068 20 HA SER 3 HA SER 3 6.692 7.559 -23.323 21 1HB SER 3 2HB SER 3 8.171 4.907 -23.456 22 2HB SER 3 3HB SER 3 8.351 6.316 -24.525 23 HG SER 3 HG SER 3 9.738 7.033 -23.102 24 QB SER 3 QB SER 3 8.261 5.611 -23.990 25 H GLY 4 HN GLY 4 5.132 7.241 -24.791 26 1HA GLY 4 1HA GLY 4 3.814 5.809 -26.278 27 2HA GLY 4 2HA GLY 4 3.935 4.516 -25.083 28 QA GLY 4 QA GLY 4 3.875 5.163 -25.680 29 H GLU 5 HN GLU 5 3.465 6.359 -22.885 30 HA GLU 5 HA GLU 5 0.502 6.419 -23.037 31 1HB GLU 5 2HB GLU 5 1.753 5.246 -21.183 32 2HB GLU 5 3HB GLU 5 2.370 6.810 -20.675 33 1HG GLU 5 2HG GLU 5 -0.146 7.514 -20.558 34 2HG GLU 5 3HG GLU 5 -0.470 5.778 -20.580 35 QB GLU 5 QB GLU 5 2.061 6.027 -20.929 36 QG GLU 5 QG GLU 5 -0.307 6.646 -20.569 37 H HIS 6 HN HIS 6 -0.290 8.294 -23.742 38 HA HIS 6 HA HIS 6 1.021 10.852 -22.919 39 1HB HIS 6 2HB HIS 6 -0.223 11.823 -24.880 40 2HB HIS 6 3HB HIS 6 1.043 10.699 -25.283 41 HD1 HIS 6 HD1 HIS 6 -2.369 11.390 -25.960 42 HD2 HIS 6 HD2 HIS 6 -0.115 7.930 -25.908 43 HE1 HIS 6 HE1 HIS 6 -3.679 9.647 -27.227 44 QB HIS 6 QB HIS 6 0.411 11.261 -25.082 45 H PHE 7 HN PHE 7 -2.302 9.827 -23.847 46 HA PHE 7 HA PHE 7 -3.315 11.774 -21.832 47 1HB PHE 7 2HB PHE 7 -4.937 10.128 -23.800 48 2HB PHE 7 3HB PHE 7 -5.470 11.549 -22.912 49 HD1 PHE 7 1HD PHE 7 -2.832 13.163 -23.303 50 HD2 PHE 7 2HD PHE 7 -5.332 11.031 -26.020 51 HE1 PHE 7 1HE PHE 7 -2.049 14.580 -25.137 52 HE2 PHE 7 2HE PHE 7 -4.536 12.454 -27.856 53 HZ PHE 7 HZ PHE 7 -2.895 14.231 -27.418 54 QB PHE 7 QB PHE 7 -5.203 10.839 -23.356 55 QR PHE 7 QR PHE 7 -3.687 12.807 -25.579 56 H GLU 8 HN GLU 8 -2.150 9.868 -20.524 57 HA GLU 8 HA GLU 8 -4.365 8.427 -19.181 58 1HB GLU 8 2HB GLU 8 -2.234 7.141 -20.760 59 2HB GLU 8 3HB GLU 8 -2.307 6.540 -19.113 60 1HG GLU 8 2HG GLU 8 -4.822 6.806 -20.777 61 2HG GLU 8 3HG GLU 8 -3.795 5.391 -20.928 62 QB GLU 8 QB GLU 8 -2.270 6.840 -19.936 63 QG GLU 8 QG GLU 8 -4.309 6.098 -20.852 64 H GLY 9 HN GLY 9 -3.265 7.296 -17.111 65 1HA GLY 9 1HA GLY 9 -0.980 7.841 -15.817 66 2HA GLY 9 2HA GLY 9 -1.618 9.477 -15.895 67 QA GLY 9 QA GLY 9 -1.299 8.658 -15.857 68 H GLU 10 HN GLU 10 -4.366 8.727 -15.546 69 HA GLU 10 HA GLU 10 -4.369 8.483 -12.632 70 1HB GLU 10 2HB GLU 10 -6.759 8.510 -14.514 71 2HB GLU 10 3HB GLU 10 -6.767 8.889 -12.797 72 1HG GLU 10 2HG GLU 10 -5.415 10.496 -15.001 73 2HG GLU 10 3HG GLU 10 -6.824 10.977 -14.072 74 QB GLU 10 QB GLU 10 -6.763 8.700 -13.655 75 QG GLU 10 QG GLU 10 -6.119 10.736 -14.537 76 H LYS 11 HN LYS 11 -3.272 6.426 -12.826 77 HA LYS 11 HA LYS 11 -4.973 4.120 -13.600 78 1HB LYS 11 2HB LYS 11 -2.373 4.539 -14.107 79 2HB LYS 11 3HB LYS 11 -2.167 3.886 -12.502 80 1HG LYS 11 2HG LYS 11 -1.939 2.122 -14.210 81 2HG LYS 11 3HG LYS 11 -3.302 1.801 -13.163 82 1HD LYS 11 2HD LYS 11 -3.784 1.383 -15.585 83 2HD LYS 11 3HD LYS 11 -4.868 2.564 -14.869 84 1HE LYS 11 2HE LYS 11 -3.663 4.405 -15.897 85 2HE LYS 11 3HE LYS 11 -2.379 3.327 -16.439 86 1HZ LYS 11 1HZ LYS 11 -4.782 2.294 -17.421 87 2HZ LYS 11 2HZ LYS 11 -4.812 3.979 -17.706 88 3HZ LYS 11 3HZ LYS 11 -3.526 3.040 -18.296 89 QB LYS 11 QB LYS 11 -2.271 4.212 -13.305 90 QG LYS 11 QG LYS 11 -2.620 1.962 -13.686 91 QD LYS 11 QD LYS 11 -4.327 1.974 -15.227 92 QE LYS 11 QE LYS 11 -3.021 3.867 -16.168 93 QZ LYS 11 QZ LYS 11 -4.373 3.105 -17.808 94 H VAL 12 HN VAL 12 -4.718 2.230 -12.063 95 HA VAL 12 HA VAL 12 -5.207 3.165 -9.255 96 HB VAL 12 HB VAL 12 -6.258 0.636 -10.589 97 1HG1 VAL 12 3HG VAL 12 -7.066 2.075 -8.037 98 2HG1 VAL 12 1HG VAL 12 -7.839 0.627 -8.679 99 3HG1 VAL 12 2HG VAL 12 -6.174 0.560 -8.119 100 1HG2 VAL 12 1HG VAL 12 -7.645 3.310 -10.189 101 2HG2 VAL 12 2HG VAL 12 -7.186 2.608 -11.737 102 3HG2 VAL 12 3HG VAL 12 -8.429 1.840 -10.756 103 QG1 VAL 12 QG1 VAL 12 -7.026 1.087 -8.278 104 QG2 VAL 12 QG2 VAL 12 -7.753 2.586 -10.894 105 QQG VAL 12 QQG VAL 12 -7.390 1.836 -9.586 106 H PHE 13 HN PHE 13 -4.349 1.730 -7.576 107 HA PHE 13 HA PHE 13 -2.356 -0.257 -8.582 108 1HB PHE 13 2HB PHE 13 -1.609 2.255 -7.639 109 2HB PHE 13 3HB PHE 13 -1.426 1.237 -6.227 110 HD1 PHE 13 1HD PHE 13 -0.867 0.719 -9.893 111 HD2 PHE 13 2HD PHE 13 0.806 0.552 -5.976 112 HE1 PHE 13 1HE PHE 13 1.286 0.048 -10.833 113 HE2 PHE 13 2HE PHE 13 2.958 -0.126 -6.933 114 HZ PHE 13 HZ PHE 13 3.211 -0.324 -9.363 115 QB PHE 13 QB PHE 13 -1.517 1.746 -6.934 116 QR PHE 13 QR PHE 13 1.046 0.298 -8.409 117 NH1 ARG 14 NH1 ARG 14 -5.857 -6.234 -7.806 118 NH2 ARG 14 NH2 ARG 14 -6.955 -4.228 -7.695 119 H ARG 14 HN ARG 14 -1.597 -1.695 -6.884 120 HA ARG 14 HA ARG 14 -3.325 -1.803 -4.484 121 1HB ARG 14 2HB ARG 14 -4.580 -3.077 -6.153 122 2HB ARG 14 3HB ARG 14 -3.142 -3.978 -6.589 123 1HG ARG 14 2HG ARG 14 -3.064 -4.928 -4.266 124 2HG ARG 14 3HG ARG 14 -4.556 -4.065 -3.895 125 1HD ARG 14 2HD ARG 14 -4.199 -6.101 -6.099 126 2HD ARG 14 3HD ARG 14 -5.006 -6.416 -4.568 127 HE ARG 14 HE ARG 14 -6.679 -4.612 -5.264 128 1HH1 ARG 14 2HH ARG 14 -5.319 -6.951 -7.341 129 2HH1 ARG 14 1HH ARG 14 -6.043 -6.330 -8.781 130 1HH2 ARG 14 2HH ARG 14 -7.254 -3.440 -7.135 131 2HH2 ARG 14 1HH ARG 14 -7.157 -4.248 -8.673 132 QB ARG 14 QB ARG 14 -3.861 -3.527 -6.371 133 QG ARG 14 QG ARG 14 -3.809 -4.497 -4.080 134 QD ARG 14 QD ARG 14 -4.602 -6.259 -5.333 135 QH1 ARG 14 QH1 ARG 14 -5.681 -6.641 -8.062 136 QH2 ARG 14 QH2 ARG 14 -7.205 -3.843 -7.904 137 H VAL 15 HN VAL 15 -2.620 -3.116 -2.921 138 HA VAL 15 HA VAL 15 0.108 -4.211 -3.168 139 HB VAL 15 HB VAL 15 0.146 -1.856 -2.315 140 1HG1 VAL 15 1HG VAL 15 -1.378 -3.030 0.026 141 2HG1 VAL 15 2HG VAL 15 -0.647 -1.429 -0.004 142 3HG1 VAL 15 3HG VAL 15 -1.970 -1.808 -1.099 143 1HG2 VAL 15 2HG VAL 15 1.906 -3.416 -1.793 144 2HG2 VAL 15 3HG VAL 15 1.624 -2.313 -0.448 145 3HG2 VAL 15 1HG VAL 15 1.022 -3.972 -0.371 146 QG1 VAL 15 QG1 VAL 15 -1.332 -2.089 -0.359 147 QG2 VAL 15 QG2 VAL 15 1.518 -3.233 -0.870 148 QQG VAL 15 QQG VAL 15 0.093 -2.662 -0.614 149 H ASN 16 HN ASN 16 0.398 -5.954 -1.622 150 HA ASN 16 HA ASN 16 -2.241 -6.988 -0.705 151 1HB ASN 16 2HB ASN 16 0.394 -8.365 -1.278 152 2HB ASN 16 3HB ASN 16 -0.982 -9.183 -0.570 153 1HD2 ASN 16 2HD ASN 16 -2.357 -7.867 -4.098 154 2HD2 ASN 16 1HD ASN 16 -2.197 -6.862 -2.733 155 QB ASN 16 QB ASN 16 -0.295 -8.774 -0.924 156 QD2 ASN 16 QD2 ASN 16 -2.277 -7.364 -3.415 157 H VAL 17 HN VAL 17 -1.963 -8.423 1.245 158 HA VAL 17 HA VAL 17 -0.105 -7.198 3.183 159 HB VAL 17 HB VAL 17 -3.055 -7.632 3.751 160 1HG1 VAL 17 3HG VAL 17 -1.465 -7.639 5.702 161 2HG1 VAL 17 1HG VAL 17 -0.969 -6.010 5.242 162 3HG1 VAL 17 2HG VAL 17 -2.624 -6.318 5.746 163 1HG2 VAL 17 1HG VAL 17 -1.579 -5.065 3.031 164 2HG2 VAL 17 2HG VAL 17 -2.779 -5.878 2.032 165 3HG2 VAL 17 3HG VAL 17 -3.259 -5.155 3.556 166 QG1 VAL 17 QG1 VAL 17 -1.686 -6.656 5.563 167 QG2 VAL 17 QG2 VAL 17 -2.539 -5.366 2.873 168 QQG VAL 17 QQG VAL 17 -2.112 -6.011 4.218 169 H GLU 18 HN GLU 18 1.020 -9.290 2.919 170 HA GLU 18 HA GLU 18 -0.163 -11.808 3.260 171 1HB GLU 18 2HB GLU 18 2.505 -10.937 4.440 172 2HB GLU 18 3HB GLU 18 2.024 -12.563 4.012 173 1HG GLU 18 2HG GLU 18 2.118 -10.350 1.941 174 2HG GLU 18 3HG GLU 18 3.521 -11.325 2.312 175 QB GLU 18 QB GLU 18 2.265 -11.750 4.226 176 QG GLU 18 QG GLU 18 2.819 -10.837 2.126 177 H ASP 19 HN ASP 19 0.890 -9.453 5.674 178 HA ASP 19 HA ASP 19 -1.118 -10.102 7.560 179 1HB ASP 19 2HB ASP 19 0.329 -11.207 9.322 180 2HB ASP 19 3HB ASP 19 -0.069 -12.232 7.971 181 QB ASP 19 QB ASP 19 0.130 -11.719 8.646 182 H GLU 20 HN GLU 20 0.189 -9.523 9.938 183 HA GLU 20 HA GLU 20 0.287 -6.807 10.048 184 1HB GLU 20 2HB GLU 20 1.640 -8.991 11.580 185 2HB GLU 20 3HB GLU 20 2.056 -7.333 11.947 186 1HG GLU 20 2HG GLU 20 0.151 -8.160 13.350 187 2HG GLU 20 3HG GLU 20 -0.318 -6.788 12.357 188 QB GLU 20 QB GLU 20 1.848 -8.161 11.764 189 QG GLU 20 QG GLU 20 -0.083 -7.473 12.854 190 H ASN 21 HN ASN 21 2.867 -8.873 8.838 191 HA ASN 21 HA ASN 21 5.083 -7.124 8.840 192 1HB ASN 21 2HB ASN 21 5.358 -9.362 7.935 193 2HB ASN 21 3HB ASN 21 4.094 -9.106 6.747 194 1HD2 ASN 21 2HD ASN 21 6.255 -7.593 4.380 195 2HD2 ASN 21 1HD ASN 21 4.667 -8.113 4.734 196 QB ASN 21 QB ASN 21 4.726 -9.235 7.342 197 QD2 ASN 21 QD2 ASN 21 5.461 -7.853 4.557 198 H ASP 22 HN ASP 22 2.633 -7.506 6.428 199 HA ASP 22 HA ASP 22 3.414 -5.305 4.742 200 1HB ASP 22 2HB ASP 22 0.799 -6.803 5.075 201 2HB ASP 22 3HB ASP 22 1.250 -5.873 3.664 202 QB ASP 22 QB ASP 22 1.024 -6.339 4.370 203 H ILE 23 HN ILE 23 0.927 -5.758 7.207 204 HA ILE 23 HA ILE 23 -0.327 -3.203 6.909 205 HB ILE 23 HB ILE 23 -0.011 -4.772 9.494 206 1HG1 ILE 23 2HG ILE 23 -1.941 -4.994 7.167 207 2HG1 ILE 23 3HG ILE 23 -0.862 -6.239 7.763 208 1HG2 ILE 23 1HG ILE 23 -0.863 -2.447 9.749 209 2HG2 ILE 23 2HG ILE 23 -2.112 -2.774 8.551 210 3HG2 ILE 23 3HG ILE 23 -2.125 -3.620 10.095 211 1HD1 ILE 23 3HD ILE 23 -2.130 -6.272 9.903 212 2HD1 ILE 23 1HD ILE 23 -3.269 -5.115 9.222 213 3HD1 ILE 23 2HD ILE 23 -3.108 -6.715 8.516 214 QG1 ILE 23 QG1 ILE 23 -1.402 -5.616 7.465 215 QG2 ILE 23 QG2 ILE 23 -1.700 -2.948 9.465 216 QD1 ILE 23 QD1 ILE 23 -2.836 -6.034 9.213 217 H SER 24 HN SER 24 2.464 -4.269 8.728 218 HA SER 24 HA SER 24 2.925 -1.806 10.166 219 1HB SER 24 2HB SER 24 4.868 -4.026 9.347 220 2HB SER 24 3HB SER 24 5.232 -2.736 10.510 221 HG SER 24 HG SER 24 3.380 -4.850 10.681 222 QB SER 24 QB SER 24 5.050 -3.381 9.929 223 H GLU 25 HN GLU 25 4.113 -3.184 7.138 224 HA GLU 25 HA GLU 25 5.820 -1.005 6.409 225 1HB GLU 25 2HB GLU 25 4.271 -2.963 4.669 226 2HB GLU 25 3HB GLU 25 5.566 -1.930 4.095 227 1HG GLU 25 2HG GLU 25 6.273 -3.498 6.501 228 2HG GLU 25 3HG GLU 25 5.911 -4.486 5.104 229 QB GLU 25 QB GLU 25 4.918 -2.447 4.381 230 QG GLU 25 QG GLU 25 6.092 -3.991 5.802 231 H LEU 26 HN LEU 26 2.537 -1.722 5.060 232 HA LEU 26 HA LEU 26 2.184 0.646 3.722 233 1HB LEU 26 2HB LEU 26 0.781 -1.494 3.932 234 2HB LEU 26 3HB LEU 26 0.079 -0.780 5.366 235 HG LEU 26 HG LEU 26 -1.012 -0.568 3.027 236 1HD1 LEU 26 1HD LEU 26 -0.822 1.751 4.978 237 2HD1 LEU 26 2HD LEU 26 -2.107 1.564 3.790 238 3HD1 LEU 26 3HD LEU 26 -1.938 0.394 5.094 239 1HD2 LEU 26 2HD LEU 26 0.900 0.538 1.897 240 2HD2 LEU 26 3HD LEU 26 -0.536 1.549 1.870 241 3HD2 LEU 26 1HD LEU 26 0.753 1.901 3.010 242 QB LEU 26 QB LEU 26 0.431 -1.137 4.649 243 QD1 LEU 26 QD1 LEU 26 -1.623 1.236 4.621 244 QD2 LEU 26 QD2 LEU 26 0.373 1.329 2.259 245 QQD LEU 26 QQD LEU 26 -0.625 1.283 3.440 246 H HIS 27 HN HIS 27 1.530 0.004 7.156 247 HA HIS 27 HA HIS 27 0.308 2.312 8.044 248 1HB HIS 27 2HB HIS 27 2.329 0.493 9.188 249 2HB HIS 27 3HB HIS 27 2.271 2.058 9.944 250 HD1 HIS 27 HD1 HIS 27 0.998 1.745 11.965 251 HD2 HIS 27 HD2 HIS 27 -0.832 -0.264 8.882 252 HE1 HIS 27 HE1 HIS 27 -1.111 0.747 12.916 253 QB HIS 27 QB HIS 27 2.300 1.276 9.566 254 H GLU 28 HN GLU 28 3.818 1.982 7.861 255 HA GLU 28 HA GLU 28 4.565 4.599 8.408 256 1HB GLU 28 2HB GLU 28 6.056 2.584 8.004 257 2HB GLU 28 3HB GLU 28 5.834 2.836 6.278 258 1HG GLU 28 2HG GLU 28 7.919 3.894 7.054 259 2HG GLU 28 3HG GLU 28 6.787 5.116 6.491 260 QB GLU 28 QB GLU 28 5.945 2.710 7.141 261 QG GLU 28 QG GLU 28 7.353 4.506 6.773 262 H LEU 29 HN LEU 29 3.358 3.310 5.368 263 HA LEU 29 HA LEU 29 3.636 5.990 4.097 264 1HB LEU 29 2HB LEU 29 4.480 3.793 3.027 265 2HB LEU 29 3HB LEU 29 2.788 3.402 2.779 266 HG LEU 29 HG LEU 29 2.502 5.493 1.451 267 1HD1 LEU 29 1HD LEU 29 5.508 5.773 1.851 268 2HD1 LEU 29 2HD LEU 29 4.544 6.733 0.735 269 3HD1 LEU 29 3HD LEU 29 4.280 6.878 2.463 270 1HD2 LEU 29 3HD LEU 29 4.783 3.706 0.533 271 2HD2 LEU 29 1HD LEU 29 3.066 3.382 0.313 272 3HD2 LEU 29 2HD LEU 29 3.815 4.744 -0.513 273 QB LEU 29 QB LEU 29 3.634 3.598 2.903 274 QD1 LEU 29 QD1 LEU 29 4.777 6.461 1.683 275 QD2 LEU 29 QD2 LEU 29 3.888 3.945 0.111 276 QQD LEU 29 QQD LEU 29 4.332 5.202 0.897 277 H ALA 30 HN ALA 30 1.608 5.278 6.126 278 HA ALA 30 HA ALA 30 -0.858 5.626 4.461 279 1HB ALA 30 2HB ALA 30 -0.879 3.710 6.027 280 2HB ALA 30 3HB ALA 30 -0.575 4.799 7.376 281 3HB ALA 30 1HB ALA 30 -2.086 4.909 6.481 282 QB ALA 30 QB ALA 30 -1.180 4.472 6.628 283 H SER 31 HN SER 31 1.218 7.141 6.767 284 HA SER 31 HA SER 31 -0.729 9.349 7.284 285 1HB SER 31 2HB SER 31 2.076 8.950 8.438 286 2HB SER 31 3HB SER 31 0.847 10.097 9.005 287 HG SER 31 HG SER 31 1.053 7.396 9.438 288 QB SER 31 QB SER 31 1.461 9.524 8.721 289 H THR 32 HN THR 32 2.619 8.885 6.246 290 HA THR 32 HA THR 32 2.673 11.565 4.985 291 HB THR 32 HB THR 32 4.880 9.438 5.251 292 HG1 THR 32 1HG THR 32 4.920 10.254 7.207 293 1HG2 THR 32 1HG THR 32 5.014 12.436 4.659 294 2HG2 THR 32 2HG THR 32 6.386 11.340 4.764 295 3HG2 THR 32 3HG THR 32 5.247 11.197 3.431 296 QG2 THR 32 QG2 THR 32 5.549 11.658 4.284 297 NH1 ARG 33 NH2 ARG 33 -3.683 10.037 1.078 298 NH2 ARG 33 NH1 ARG 33 -5.309 8.606 1.804 299 H ARG 33 HN ARG 33 0.835 10.085 4.005 300 HA ARG 33 HA ARG 33 1.451 8.275 1.887 301 1HB ARG 33 2HB ARG 33 -0.944 10.004 2.527 302 2HB ARG 33 3HB ARG 33 -0.912 9.042 1.056 303 1HG ARG 33 2HG ARG 33 -0.640 6.997 2.320 304 2HG ARG 33 3HG ARG 33 -0.430 7.901 3.807 305 1HD ARG 33 2HD ARG 33 -2.745 6.938 3.551 306 2HD ARG 33 3HD ARG 33 -2.752 8.688 3.725 307 HE ARG 33 HE ARG 33 -2.884 7.424 0.993 308 1HH1 ARG 33 2HH ARG 33 -2.713 10.212 0.919 309 2HH1 ARG 33 1HH ARG 33 -4.368 10.731 0.824 310 1HH2 ARG 33 2HH ARG 33 -5.544 7.740 2.244 311 2HH2 ARG 33 1HH ARG 33 -6.046 9.245 1.522 312 QB ARG 33 QB ARG 33 -0.928 9.523 1.792 313 QG ARG 33 QG ARG 33 -0.536 7.449 3.063 314 QD ARG 33 QD ARG 33 -2.748 7.813 3.639 315 QH1 ARG 33 QH2 ARG 33 -3.540 10.471 0.872 316 QH2 ARG 33 QH1 ARG 33 -5.795 8.492 1.883 317 H GLN 34 HN GLN 34 1.572 8.454 -0.221 318 HA GLN 34 HA GLN 34 1.729 11.149 -1.538 319 1HB GLN 34 2HB GLN 34 3.294 8.596 -2.164 320 2HB GLN 34 3HB GLN 34 3.352 10.065 -3.121 321 1HG GLN 34 2HG GLN 34 4.001 10.194 -0.172 322 2HG GLN 34 3HG GLN 34 5.216 9.638 -1.320 323 1HE2 GLN 34 2HE GLN 34 5.979 12.904 -2.336 324 2HE2 GLN 34 1HE GLN 34 6.444 11.276 -2.249 325 QB GLN 34 QB GLN 34 3.323 9.330 -2.642 326 QG GLN 34 QG GLN 34 4.608 9.916 -0.746 327 QE2 GLN 34 QE2 GLN 34 6.211 12.090 -2.293 328 H ILE 35 HN ILE 35 -0.030 8.567 -1.003 329 HA ILE 35 HA ILE 35 -1.373 8.450 -3.660 330 HB ILE 35 HB ILE 35 -1.501 5.966 -3.402 331 1HG1 ILE 35 2HG ILE 35 -0.002 6.620 -0.833 332 2HG1 ILE 35 3HG ILE 35 -1.517 5.760 -1.002 333 1HG2 ILE 35 1HG ILE 35 0.444 6.950 -4.626 334 2HG2 ILE 35 2HG ILE 35 1.351 6.995 -3.119 335 3HG2 ILE 35 3HG ILE 35 0.881 5.449 -3.814 336 1HD1 ILE 35 1HD ILE 35 -0.287 3.886 -2.112 337 2HD1 ILE 35 2HD ILE 35 1.225 4.740 -1.793 338 3HD1 ILE 35 3HD ILE 35 0.232 4.184 -0.455 339 QG1 ILE 35 QG1 ILE 35 -0.759 6.190 -0.917 340 QG2 ILE 35 QG2 ILE 35 0.892 6.465 -3.853 341 QD1 ILE 35 QD1 ILE 35 0.390 4.270 -1.453 342 H ASP 36 HN ASP 36 -3.692 7.780 -3.384 343 HA ASP 36 HA ASP 36 -4.529 8.083 -0.523 344 1HB ASP 36 2HB ASP 36 -5.400 9.730 -2.525 345 2HB ASP 36 3HB ASP 36 -6.663 8.491 -2.517 346 QB ASP 36 QB ASP 36 -6.032 9.110 -2.521 347 H PHE 37 HN PHE 37 -6.664 6.907 -0.071 348 HA PHE 37 HA PHE 37 -6.387 4.221 -1.376 349 1HB PHE 37 2HB PHE 37 -7.083 4.890 1.498 350 2HB PHE 37 3HB PHE 37 -7.183 3.277 0.811 351 HD1 PHE 37 1HD PHE 37 -4.662 6.084 0.929 352 HD2 PHE 37 2HD PHE 37 -5.357 1.902 1.199 353 HE1 PHE 37 1HE PHE 37 -2.277 5.714 1.372 354 HE2 PHE 37 2HE PHE 37 -2.969 1.537 1.693 355 HZ PHE 37 HZ PHE 37 -1.445 3.464 1.826 356 QB PHE 37 QB PHE 37 -7.134 4.083 1.155 357 QR PHE 37 QR PHE 37 -3.816 3.809 1.299 358 CH2 TRP 38 CH2 TRP 38 -9.531 4.831 -8.167 359 H TRP 38 HN TRP 38 -8.222 2.901 -1.517 360 HA TRP 38 HA TRP 38 -10.805 4.414 -1.505 361 1HB TRP 38 2HB TRP 38 -9.766 2.290 -3.379 362 2HB TRP 38 3HB TRP 38 -11.446 2.744 -3.322 363 HD1 TRP 38 HD1 TRP 38 -10.209 5.979 -2.804 364 HE1 TRP 38 HE1 TRP 38 -9.772 7.287 -4.870 365 HE3 TRP 38 HE3 TRP 38 -10.026 2.187 -6.073 366 HZ2 TRP 38 HZ2 TRP 38 -9.479 6.885 -7.578 367 HZ3 TRP 38 HZ3 TRP 38 -9.647 2.721 -8.473 368 HH2 TRP 38 HH2 TRP 38 -9.353 5.045 -9.211 369 QB TRP 38 QB TRP 38 -10.606 2.517 -3.350 370 H LYS 39 HN LYS 39 -9.402 1.146 -1.255 371 HA LYS 39 HA LYS 39 -11.274 0.671 0.987 372 1HB LYS 39 2HB LYS 39 -11.797 -1.635 0.098 373 2HB LYS 39 3HB LYS 39 -12.514 -0.299 -0.777 374 1HG LYS 39 2HG LYS 39 -10.871 -0.475 -2.551 375 2HG LYS 39 3HG LYS 39 -9.975 -1.703 -1.656 376 1HD LYS 39 2HD LYS 39 -11.594 -3.350 -2.013 377 2HD LYS 39 3HD LYS 39 -12.904 -2.185 -2.134 378 1HE LYS 39 2HE LYS 39 -12.423 -3.236 -4.319 379 2HE LYS 39 3HE LYS 39 -12.142 -1.500 -4.360 380 1HZ LYS 39 2HZ LYS 39 -9.752 -2.741 -3.567 381 2HZ LYS 39 3HZ LYS 39 -10.316 -3.555 -4.942 382 3HZ LYS 39 1HZ LYS 39 -10.070 -1.880 -4.992 383 QB LYS 39 QB LYS 39 -12.156 -0.967 -0.340 384 QG LYS 39 QG LYS 39 -10.423 -1.088 -2.104 385 QD LYS 39 QD LYS 39 -12.250 -2.767 -2.073 386 QE LYS 39 QE LYS 39 -12.282 -2.368 -4.339 387 QZ LYS 39 QZ LYS 39 -10.046 -2.725 -4.500 388 HA PRO 40 HA PRO 40 -11.346 0.144 2.917 389 1HB PRO 40 2HB PRO 40 -9.142 0.148 4.945 390 2HB PRO 40 3HB PRO 40 -10.840 -0.321 5.131 391 1HG PRO 40 2HG PRO 40 -8.900 -2.213 4.979 392 2HG PRO 40 3HG PRO 40 -10.476 -2.476 4.226 393 1HD PRO 40 2HD PRO 40 -7.865 -1.732 2.911 394 2HD PRO 40 3HD PRO 40 -9.166 -2.776 2.304 395 QB PRO 40 QB PRO 40 -9.991 -0.087 5.039 396 QG PRO 40 QG PRO 40 -9.688 -2.345 4.602 397 QD PRO 40 QD PRO 40 -8.516 -2.254 2.608 398 H ASP 41 HN ASP 41 -11.259 2.294 4.189 399 HA ASP 41 HA ASP 41 -9.789 4.234 2.536 400 1HB ASP 41 2HB ASP 41 -11.107 5.913 3.774 401 2HB ASP 41 3HB ASP 41 -12.165 4.618 3.224 402 QB ASP 41 QB ASP 41 -11.637 5.266 3.499 403 H SER 42 HN SER 42 -10.017 3.457 5.984 404 HA SER 42 HA SER 42 -7.517 4.993 6.452 405 1HB SER 42 2HB SER 42 -9.687 3.956 8.311 406 2HB SER 42 3HB SER 42 -8.195 4.726 8.892 407 HG SER 42 HG SER 42 -10.294 5.797 7.318 408 QB SER 42 QB SER 42 -8.941 4.341 8.602 409 H VAL 43 HN VAL 43 -5.686 4.022 6.719 410 HA VAL 43 HA VAL 43 -5.015 1.407 6.282 411 HB VAL 43 HB VAL 43 -3.340 3.106 6.381 412 1HG1 VAL 43 1HG VAL 43 -4.426 4.516 8.138 413 2HG1 VAL 43 2HG VAL 43 -3.949 3.339 9.356 414 3HG1 VAL 43 3HG VAL 43 -2.726 4.244 8.482 415 1HG2 VAL 43 1HG VAL 43 -2.605 0.808 7.010 416 2HG2 VAL 43 2HG VAL 43 -1.637 2.045 7.795 417 3HG2 VAL 43 3HG VAL 43 -2.874 1.194 8.704 418 QG1 VAL 43 QG1 VAL 43 -3.700 4.033 8.658 419 QG2 VAL 43 QG2 VAL 43 -2.372 1.349 7.837 420 QQG VAL 43 QQG VAL 43 -3.036 2.691 8.247 421 H THR 44 HN THR 44 -5.939 2.712 9.419 422 HA THR 44 HA THR 44 -5.168 0.471 11.008 423 HB THR 44 HB THR 44 -6.982 1.602 12.597 424 HG1 THR 44 1HG THR 44 -8.076 2.973 11.397 425 1HG2 THR 44 3HG THR 44 -4.675 3.272 11.478 426 2HG2 THR 44 1HG THR 44 -5.447 3.494 13.043 427 3HG2 THR 44 2HG THR 44 -4.474 2.058 12.737 428 QG2 THR 44 QG2 THR 44 -4.865 2.941 12.419 429 H GLN 45 HN GLN 45 -7.048 -0.054 8.606 430 HA GLN 45 HA GLN 45 -8.926 -1.774 10.179 431 1HB GLN 45 2HB GLN 45 -9.361 -0.470 7.477 432 2HB GLN 45 3HB GLN 45 -10.492 -1.567 8.264 433 1HG GLN 45 2HG GLN 45 -10.773 -0.019 10.135 434 2HG GLN 45 3HG GLN 45 -9.507 1.035 9.503 435 1HE2 GLN 45 2HE GLN 45 -11.590 1.995 6.662 436 2HE2 GLN 45 1HE GLN 45 -10.007 1.444 6.942 437 QB GLN 45 QB GLN 45 -9.926 -1.019 7.871 438 QG GLN 45 QG GLN 45 -10.139 0.507 9.819 439 QE2 GLN 45 QE2 GLN 45 -10.799 1.720 6.802 440 H ILE 46 HN ILE 46 -6.669 -1.505 7.559 441 HA ILE 46 HA ILE 46 -7.154 -3.860 6.111 442 HB ILE 46 HB ILE 46 -4.662 -2.279 6.756 443 1HG1 ILE 46 2HG ILE 46 -4.706 -1.997 4.245 444 2HG1 ILE 46 3HG ILE 46 -6.214 -2.904 4.219 445 1HG2 ILE 46 3HG ILE 46 -4.715 -4.822 5.080 446 2HG2 ILE 46 1HG ILE 46 -3.357 -3.706 5.220 447 3HG2 ILE 46 2HG ILE 46 -3.887 -4.623 6.621 448 1HD1 ILE 46 3HD ILE 46 -5.749 -0.324 5.741 449 2HD1 ILE 46 1HD ILE 46 -6.614 -0.451 4.216 450 3HD1 ILE 46 2HD ILE 46 -7.267 -1.200 5.667 451 QG1 ILE 46 QG1 ILE 46 -5.460 -2.451 4.233 452 QG2 ILE 46 QG2 ILE 46 -3.986 -4.383 5.640 453 QD1 ILE 46 QD1 ILE 46 -6.543 -0.658 5.209 454 H LYS 47 HN LYS 47 -6.487 -5.954 6.297 455 HA LYS 47 HA LYS 47 -5.433 -6.816 8.965 456 1HB LYS 47 2HB LYS 47 -7.438 -8.337 7.250 457 2HB LYS 47 3HB LYS 47 -6.920 -8.760 8.867 458 1HG LYS 47 2HG LYS 47 -8.503 -6.277 8.121 459 2HG LYS 47 3HG LYS 47 -9.155 -7.711 8.902 460 1HD LYS 47 2HD LYS 47 -7.285 -7.255 10.708 461 2HD LYS 47 3HD LYS 47 -7.275 -5.633 10.031 462 1HE LYS 47 2HE LYS 47 -9.675 -7.074 11.205 463 2HE LYS 47 3HE LYS 47 -8.828 -5.704 11.909 464 1HZ LYS 47 3HZ LYS 47 -9.562 -4.981 9.309 465 2HZ LYS 47 1HZ LYS 47 -10.938 -5.681 10.050 466 3HZ LYS 47 2HZ LYS 47 -10.148 -4.359 10.773 467 QB LYS 47 QB LYS 47 -7.179 -8.549 8.059 468 QG LYS 47 QG LYS 47 -8.830 -6.994 8.511 469 QD LYS 47 QD LYS 47 -7.280 -6.444 10.370 470 QE LYS 47 QE LYS 47 -9.252 -6.389 11.557 471 QZ LYS 47 QZ LYS 47 -10.216 -5.007 10.044 472 HA PRO 48 HA PRO 48 -2.746 -9.627 6.554 473 1HB PRO 48 2HB PRO 48 -4.199 -11.832 7.994 474 2HB PRO 48 3HB PRO 48 -2.462 -11.627 7.743 475 1HG PRO 48 2HG PRO 48 -3.578 -11.051 10.149 476 2HG PRO 48 3HG PRO 48 -2.277 -10.038 9.507 477 1HD PRO 48 2HD PRO 48 -5.222 -9.471 9.622 478 2HD PRO 48 3HD PRO 48 -3.860 -8.340 9.751 479 QB PRO 48 QB PRO 48 -3.331 -11.729 7.868 480 QG PRO 48 QG PRO 48 -2.928 -10.544 9.828 481 QD PRO 48 QD PRO 48 -4.541 -8.906 9.686 482 H HIS 49 HN HIS 49 -2.940 -11.015 4.835 483 HA HIS 49 HA HIS 49 -4.010 -11.278 2.719 484 1HB HIS 49 2HB HIS 49 -5.306 -13.434 2.913 485 2HB HIS 49 3HB HIS 49 -3.684 -13.448 3.553 486 HD1 HIS 49 HD1 HIS 49 -7.029 -12.588 4.978 487 HD2 HIS 49 HD2 HIS 49 -3.710 -14.787 6.027 488 HE1 HIS 49 HE1 HIS 49 -7.473 -13.505 7.282 489 QB HIS 49 QB HIS 49 -4.495 -13.441 3.233 490 H SER 50 HN SER 50 -5.270 -9.102 3.360 491 HA SER 50 HA SER 50 -8.194 -9.678 3.012 492 1HB SER 50 2HB SER 50 -8.430 -7.255 3.871 493 2HB SER 50 3HB SER 50 -7.821 -8.424 5.061 494 HG SER 50 HG SER 50 -5.857 -7.597 4.906 495 QB SER 50 QB SER 50 -8.125 -7.839 4.466 496 H THR 51 HN THR 51 -5.938 -7.065 2.350 497 HA THR 51 HA THR 51 -5.132 -6.636 0.005 498 HB THR 51 HB THR 51 -8.106 -6.910 -0.670 499 HG1 THR 51 1HG THR 51 -7.105 -8.847 -0.707 500 1HG2 THR 51 3HG THR 51 -5.724 -6.156 -2.440 501 2HG2 THR 51 1HG THR 51 -7.361 -6.469 -3.004 502 3HG2 THR 51 2HG THR 51 -7.035 -5.052 -2.015 503 QG2 THR 51 QG2 THR 51 -6.706 -5.892 -2.487 504 H VAL 52 HN VAL 52 -5.193 -4.588 -1.010 505 HA VAL 52 HA VAL 52 -6.853 -2.467 0.223 506 HB VAL 52 HB VAL 52 -3.870 -2.066 0.000 507 1HG1 VAL 52 3HG VAL 52 -5.340 -0.097 0.218 508 2HG1 VAL 52 1HG VAL 52 -6.022 -0.762 1.699 509 3HG1 VAL 52 2HG VAL 52 -4.330 -0.285 1.649 510 1HG2 VAL 52 3HG VAL 52 -5.324 -3.169 2.415 511 2HG2 VAL 52 1HG VAL 52 -4.069 -3.979 1.490 512 3HG2 VAL 52 2HG VAL 52 -3.674 -2.553 2.441 513 QG1 VAL 52 QG1 VAL 52 -5.231 -0.381 1.189 514 QG2 VAL 52 QG2 VAL 52 -4.356 -3.234 2.116 515 QQG VAL 52 QQG VAL 52 -4.793 -1.808 1.652 516 H ASP 53 HN ASP 53 -7.396 -0.942 -1.314 517 HA ASP 53 HA ASP 53 -5.706 -0.912 -3.806 518 1HB ASP 53 2HB ASP 53 -8.716 -0.654 -3.569 519 2HB ASP 53 3HB ASP 53 -7.817 -0.282 -5.032 520 QB ASP 53 QB ASP 53 -8.266 -0.468 -4.300 521 H PHE 54 HN PHE 54 -4.755 0.951 -4.064 522 HA PHE 54 HA PHE 54 -6.137 3.408 -3.112 523 1HB PHE 54 2HB PHE 54 -3.606 4.288 -3.101 524 2HB PHE 54 3HB PHE 54 -4.326 3.546 -1.693 525 HD1 PHE 54 1HD PHE 54 -3.165 1.667 -4.724 526 HD2 PHE 54 2HD PHE 54 -2.353 2.776 -0.697 527 HE1 PHE 54 1HE PHE 54 -1.293 0.078 -4.639 528 HE2 PHE 54 2HE PHE 54 -0.449 1.237 -0.650 529 HZ PHE 54 HZ PHE 54 0.137 -0.033 -2.661 530 QB PHE 54 QB PHE 54 -3.965 3.917 -2.396 531 QR PHE 54 QR PHE 54 -1.816 1.440 -2.678 532 NH1 ARG 55 NH1 ARG 55 -6.297 9.736 -10.466 533 NH2 ARG 55 NH2 ARG 55 -4.019 9.781 -10.627 534 H ARG 55 HN ARG 55 -5.249 5.382 -4.301 535 HA ARG 55 HA ARG 55 -5.213 4.631 -7.203 536 1HB ARG 55 2HB ARG 55 -7.205 5.858 -6.299 537 2HB ARG 55 3HB ARG 55 -6.154 7.203 -5.879 538 1HG ARG 55 2HG ARG 55 -6.175 6.138 -8.701 539 2HG ARG 55 3HG ARG 55 -7.443 7.231 -8.170 540 1HD ARG 55 2HD ARG 55 -6.023 9.024 -7.958 541 2HD ARG 55 3HD ARG 55 -4.632 8.041 -7.537 542 HE ARG 55 HE ARG 55 -4.654 7.324 -10.013 543 1HH1 ARG 55 2HH ARG 55 -7.107 9.248 -10.148 544 2HH1 ARG 55 1HH ARG 55 -6.396 10.611 -10.960 545 1HH2 ARG 55 2HH ARG 55 -3.147 9.327 -10.429 546 2HH2 ARG 55 1HH ARG 55 -4.037 10.647 -11.141 547 QB ARG 55 QB ARG 55 -6.680 6.531 -6.089 548 QG ARG 55 QG ARG 55 -6.809 6.685 -8.435 549 QD ARG 55 QD ARG 55 -5.328 8.532 -7.748 550 QH1 ARG 55 QH1 ARG 55 -6.752 9.929 -10.554 551 QH2 ARG 55 QH2 ARG 55 -3.592 9.987 -10.784 552 H VAL 56 HN VAL 56 -3.521 5.369 -8.489 553 HA VAL 56 HA VAL 56 -1.587 7.254 -7.271 554 HB VAL 56 HB VAL 56 0.092 5.828 -8.440 555 1HG1 VAL 56 1HG VAL 56 -1.676 4.422 -6.422 556 2HG1 VAL 56 2HG VAL 56 -0.024 3.957 -6.798 557 3HG1 VAL 56 3HG VAL 56 -0.346 5.509 -6.044 558 1HG2 VAL 56 2HG VAL 56 -1.393 4.837 -10.137 559 2HG2 VAL 56 3HG VAL 56 -0.575 3.585 -9.211 560 3HG2 VAL 56 1HG VAL 56 -2.255 3.970 -8.872 561 QG1 VAL 56 QG1 VAL 56 -0.682 4.629 -6.422 562 QG2 VAL 56 QG2 VAL 56 -1.407 4.130 -9.407 563 QQG VAL 56 QQG VAL 56 -1.045 4.380 -7.914 564 H LYS 57 HN LYS 57 0.004 7.953 -9.087 565 HA LYS 57 HA LYS 57 -1.581 8.811 -11.498 566 1HB LYS 57 2HB LYS 57 -0.187 10.338 -9.603 567 2HB LYS 57 3HB LYS 57 0.932 10.249 -10.946 568 1HG LYS 57 2HG LYS 57 -1.977 11.047 -11.320 569 2HG LYS 57 3HG LYS 57 -0.743 12.228 -10.938 570 1HD LYS 57 2HD LYS 57 0.101 10.521 -13.157 571 2HD LYS 57 3HD LYS 57 -1.445 11.264 -13.500 572 1HE LYS 57 2HE LYS 57 0.568 12.616 -14.234 573 2HE LYS 57 3HE LYS 57 -0.544 13.478 -13.178 574 1HZ LYS 57 3HZ LYS 57 1.329 12.137 -11.590 575 2HZ LYS 57 1HZ LYS 57 2.187 12.987 -12.799 576 3HZ LYS 57 2HZ LYS 57 1.105 13.809 -11.773 577 QB LYS 57 QB LYS 57 0.372 10.293 -10.274 578 QG LYS 57 QG LYS 57 -1.359 11.637 -11.129 579 QD LYS 57 QD LYS 57 -0.672 10.892 -13.329 580 QE LYS 57 QE LYS 57 0.012 13.047 -13.707 581 QZ LYS 57 QZ LYS 57 1.540 12.978 -12.053 582 H ALA 58 HN ALA 58 0.692 6.658 -10.522 583 HA ALA 58 HA ALA 58 1.993 5.136 -11.745 584 1HB ALA 58 1HB ALA 58 0.437 5.398 -13.652 585 2HB ALA 58 2HB ALA 58 1.329 6.812 -14.196 586 3HB ALA 58 3HB ALA 58 2.105 5.237 -14.193 587 QB ALA 58 QB ALA 58 1.290 5.816 -14.014 588 H GLU 59 HN GLU 59 2.506 8.481 -12.937 589 HA GLU 59 HA GLU 59 5.388 8.093 -13.072 590 1HB GLU 59 2HB GLU 59 5.319 10.760 -13.083 591 2HB GLU 59 3HB GLU 59 4.871 9.846 -14.505 592 1HG GLU 59 2HG GLU 59 2.447 9.998 -13.726 593 2HG GLU 59 3HG GLU 59 3.006 11.085 -12.461 594 QB GLU 59 QB GLU 59 5.095 10.302 -13.794 595 QG GLU 59 QG GLU 59 2.726 10.541 -13.093 596 H ASP 60 HN ASP 60 3.399 8.252 -10.515 597 HA ASP 60 HA ASP 60 5.297 9.666 -8.705 598 1HB ASP 60 2HB ASP 60 3.496 9.441 -7.024 599 2HB ASP 60 3HB ASP 60 2.815 10.121 -8.495 600 QB ASP 60 QB ASP 60 3.155 9.781 -7.760 601 H ILE 61 HN ILE 61 3.570 6.699 -9.188 602 HA ILE 61 HA ILE 61 4.174 4.894 -7.393 603 HB ILE 61 HB ILE 61 3.582 4.787 -10.097 604 1HG1 ILE 61 2HG ILE 61 3.210 2.317 -9.592 605 2HG1 ILE 61 3HG ILE 61 3.942 2.619 -8.022 606 1HG2 ILE 61 1HG ILE 61 6.019 3.032 -9.644 607 2HG2 ILE 61 2HG ILE 61 4.953 2.975 -11.041 608 3HG2 ILE 61 3HG ILE 61 5.923 4.407 -10.747 609 1HD1 ILE 61 2HD ILE 61 1.530 4.088 -9.149 610 2HD1 ILE 61 3HD ILE 61 1.475 2.833 -7.918 611 3HD1 ILE 61 1HD ILE 61 2.244 4.375 -7.566 612 QG1 ILE 61 QG1 ILE 61 3.576 2.468 -8.807 613 QG2 ILE 61 QG2 ILE 61 5.632 3.471 -10.478 614 QD1 ILE 61 QD1 ILE 61 1.750 3.766 -8.212 615 H LEU 62 HN LEU 62 6.749 5.964 -9.590 616 HA LEU 62 HA LEU 62 8.835 4.328 -8.954 617 1HB LEU 62 2HB LEU 62 8.681 7.268 -9.420 618 2HB LEU 62 3HB LEU 62 10.185 6.673 -8.729 619 HG LEU 62 HG LEU 62 10.184 4.902 -10.592 620 1HD1 LEU 62 1HD LEU 62 8.111 6.807 -11.755 621 2HD1 LEU 62 2HD LEU 62 8.881 5.481 -12.623 622 3HD1 LEU 62 3HD LEU 62 7.817 5.140 -11.264 623 1HD2 LEU 62 2HD LEU 62 10.421 7.835 -11.355 624 2HD2 LEU 62 3HD LEU 62 11.687 6.851 -10.625 625 3HD2 LEU 62 1HD LEU 62 11.120 6.491 -12.252 626 QB LEU 62 QB LEU 62 9.433 6.971 -9.075 627 QD1 LEU 62 QD1 LEU 62 8.270 5.809 -11.880 628 QD2 LEU 62 QD2 LEU 62 11.076 7.059 -11.410 629 QQD LEU 62 QQD LEU 62 9.673 6.434 -11.646 630 H ALA 63 HN ALA 63 7.710 6.914 -6.714 631 HA ALA 63 HA ALA 63 9.644 5.822 -4.727 632 1HB ALA 63 2HB ALA 63 9.542 8.291 -5.045 633 2HB ALA 63 3HB ALA 63 7.836 8.274 -4.604 634 3HB ALA 63 1HB ALA 63 9.055 7.843 -3.409 635 QB ALA 63 QB ALA 63 8.811 8.135 -4.352 636 H VAL 64 HN VAL 64 7.460 4.310 -5.527 637 HA VAL 64 HA VAL 64 6.140 3.806 -2.901 638 HB VAL 64 HB VAL 64 4.669 3.537 -5.565 639 1HG1 VAL 64 3HG VAL 64 3.883 2.141 -3.681 640 2HG1 VAL 64 1HG VAL 64 3.703 3.584 -2.682 641 3HG1 VAL 64 2HG VAL 64 2.688 3.364 -4.105 642 1HG2 VAL 64 3HG VAL 64 4.453 5.831 -3.576 643 2HG2 VAL 64 1HG VAL 64 5.141 5.946 -5.190 644 3HG2 VAL 64 2HG VAL 64 3.425 5.603 -4.990 645 QG1 VAL 64 QG1 VAL 64 3.424 3.030 -3.490 646 QG2 VAL 64 QG2 VAL 64 4.340 5.793 -4.586 647 QQG VAL 64 QQG VAL 64 3.883 4.412 -4.038 648 H GLU 65 HN GLU 65 6.624 2.715 -6.229 649 HA GLU 65 HA GLU 65 6.504 -0.064 -5.869 650 1HB GLU 65 2HB GLU 65 7.312 1.653 -7.930 651 2HB GLU 65 3HB GLU 65 8.795 0.804 -7.536 652 1HG GLU 65 2HG GLU 65 7.829 -0.591 -9.163 653 2HG GLU 65 3HG GLU 65 7.298 -1.358 -7.674 654 QB GLU 65 QB GLU 65 8.053 1.228 -7.733 655 QG GLU 65 QG GLU 65 7.564 -0.975 -8.419 656 H ASP 66 HN ASP 66 9.151 2.229 -5.434 657 HA ASP 66 HA ASP 66 11.277 0.648 -4.597 658 1HB ASP 66 2HB ASP 66 11.369 3.068 -4.903 659 2HB ASP 66 3HB ASP 66 10.243 3.333 -3.593 660 QB ASP 66 QB ASP 66 10.807 3.201 -4.248 661 H PHE 67 HN PHE 67 9.150 2.250 -2.268 662 HA PHE 67 HA PHE 67 9.765 0.923 0.081 663 1HB PHE 67 2HB PHE 67 8.043 2.761 -0.224 664 2HB PHE 67 3HB PHE 67 6.929 1.545 -0.835 665 HD1 PHE 67 2HD PHE 67 9.295 1.876 2.062 666 HD2 PHE 67 1HD PHE 67 5.411 0.702 0.749 667 HE1 PHE 67 2HE PHE 67 8.680 1.322 4.366 668 HE2 PHE 67 1HE PHE 67 4.819 0.121 3.059 669 HZ PHE 67 HZ PHE 67 6.471 0.389 4.854 670 QB PHE 67 QB PHE 67 7.486 2.154 -0.530 671 QR PHE 67 QR PHE 67 7.051 1.006 2.559 672 H LEU 68 HN LEU 68 7.545 -0.221 -2.412 673 HA LEU 68 HA LEU 68 6.996 -2.697 -0.928 674 1HB LEU 68 2HB LEU 68 6.482 -2.249 -3.871 675 2HB LEU 68 3HB LEU 68 5.653 -3.367 -2.799 676 HG LEU 68 HG LEU 68 5.485 -0.333 -2.778 677 1HD1 LEU 68 3HD LEU 68 4.126 -1.506 -4.456 678 2HD1 LEU 68 1HD LEU 68 3.431 -2.512 -3.189 679 3HD1 LEU 68 2HD LEU 68 3.105 -0.786 -3.218 680 1HD2 LEU 68 2HD LEU 68 4.245 -2.297 -0.815 681 2HD2 LEU 68 3HD LEU 68 5.513 -1.137 -0.438 682 3HD2 LEU 68 1HD LEU 68 3.914 -0.574 -0.886 683 QB LEU 68 QB LEU 68 6.067 -2.808 -3.335 684 QD1 LEU 68 QD1 LEU 68 3.554 -1.602 -3.621 685 QD2 LEU 68 QD2 LEU 68 4.557 -1.336 -0.713 686 QQD LEU 68 QQD LEU 68 4.055 -1.469 -2.167 687 H GLU 69 HN GLU 69 9.306 -1.749 -3.349 688 HA GLU 69 HA GLU 69 10.002 -4.341 -4.341 689 1HB GLU 69 2HB GLU 69 11.426 -1.681 -4.176 690 2HB GLU 69 3HB GLU 69 12.307 -3.086 -4.722 691 1HG GLU 69 2HG GLU 69 10.522 -3.454 -6.461 692 2HG GLU 69 3HG GLU 69 9.789 -1.940 -5.957 693 QB GLU 69 QB GLU 69 11.867 -2.383 -4.448 694 QG GLU 69 QG GLU 69 10.156 -2.697 -6.209 695 H GLN 70 HN GLN 70 11.855 -2.324 -2.155 696 HA GLN 70 HA GLN 70 13.774 -4.016 -1.212 697 1HB GLN 70 2HB GLN 70 13.511 -2.790 1.050 698 2HB GLN 70 3HB GLN 70 13.830 -1.810 -0.376 699 1HG GLN 70 2HG GLN 70 11.399 -1.329 -0.582 700 2HG GLN 70 3HG GLN 70 11.081 -2.306 0.835 701 1HE2 GLN 70 2HE GLN 70 12.461 1.471 1.263 702 2HE2 GLN 70 1HE GLN 70 12.237 0.794 -0.280 703 QB GLN 70 QB GLN 70 13.671 -2.300 0.337 704 QG GLN 70 QG GLN 70 11.240 -1.818 0.126 705 QE2 GLN 70 QE2 GLN 70 12.349 1.132 0.492 706 H ASN 71 HN ASN 71 10.493 -3.930 0.151 707 HA ASN 71 HA ASN 71 11.137 -6.434 1.622 708 1HB ASN 71 2HB ASN 71 8.835 -4.550 2.193 709 2HB ASN 71 3HB ASN 71 9.571 -5.725 3.254 710 1HD2 ASN 71 2HD ASN 71 10.973 -2.027 3.387 711 2HD2 ASN 71 1HD ASN 71 9.413 -2.453 2.872 712 QB ASN 71 QB ASN 71 9.203 -5.137 2.723 713 QD2 ASN 71 QD2 ASN 71 10.194 -2.240 3.130 714 H GLU 72 HN GLU 72 10.371 -6.340 -1.166 715 HA GLU 72 HA GLU 72 8.494 -6.865 -2.610 716 1HB GLU 72 2HB GLU 72 10.030 -8.739 -2.459 717 2HB GLU 72 3HB GLU 72 9.271 -9.293 -0.981 718 1HG GLU 72 2HG GLU 72 8.658 -10.579 -3.094 719 2HG GLU 72 3HG GLU 72 7.306 -10.027 -2.133 720 QB GLU 72 QB GLU 72 9.651 -9.016 -1.720 721 QG GLU 72 QG GLU 72 7.982 -10.303 -2.614 722 H LEU 73 HN LEU 73 7.079 -5.444 -1.136 723 HA LEU 73 HA LEU 73 5.079 -6.892 0.430 724 1HB LEU 73 2HB LEU 73 5.138 -4.006 -0.504 725 2HB LEU 73 3HB LEU 73 4.102 -4.659 0.738 726 HG LEU 73 HG LEU 73 7.127 -4.722 0.930 727 1HD1 LEU 73 2HD LEU 73 5.184 -2.717 2.135 728 2HD1 LEU 73 3HD LEU 73 6.908 -2.801 2.460 729 3HD1 LEU 73 1HD LEU 73 6.344 -2.374 0.866 730 1HD2 LEU 73 1HD LEU 73 5.883 -6.325 2.383 731 2HD2 LEU 73 2HD LEU 73 6.714 -5.084 3.308 732 3HD2 LEU 73 3HD LEU 73 4.973 -4.976 3.057 733 QB LEU 73 QB LEU 73 4.620 -4.332 0.117 734 QD1 LEU 73 QD1 LEU 73 6.145 -2.630 1.821 735 QD2 LEU 73 QD2 LEU 73 5.857 -5.461 2.916 736 QQD LEU 73 QQD LEU 73 6.001 -4.046 2.369 737 H GLN 74 HN GLN 74 4.923 -8.173 -1.656 738 HA GLN 74 HA GLN 74 3.974 -8.282 -3.964 739 1HB GLN 74 2HB GLN 74 2.188 -9.030 -1.650 740 2HB GLN 74 3HB GLN 74 1.735 -9.415 -3.304 741 1HG GLN 74 2HG GLN 74 4.385 -10.219 -2.052 742 2HG GLN 74 3HG GLN 74 2.973 -11.267 -2.092 743 1HE2 GLN 74 2HE GLN 74 5.229 -10.838 -5.408 744 2HE2 GLN 74 1HE GLN 74 5.636 -10.061 -3.957 745 QB GLN 74 QB GLN 74 1.962 -9.222 -2.477 746 QG GLN 74 QG GLN 74 3.680 -10.743 -2.073 747 QE2 GLN 74 QE2 GLN 74 5.433 -10.450 -4.682 748 OH TYR 75 OH TYR 75 6.067 -3.630 -9.650 749 H TYR 75 HN TYR 75 3.313 -6.716 -5.347 750 HA TYR 75 HA TYR 75 0.785 -5.288 -4.638 751 1HB TYR 75 2HB TYR 75 1.650 -3.214 -5.464 752 2HB TYR 75 3HB TYR 75 2.904 -3.883 -4.442 753 HD1 TYR 75 HD1 TYR 75 4.940 -4.885 -5.449 754 HD2 TYR 75 HD2 TYR 75 1.972 -2.998 -7.856 755 HE1 TYR 75 HE1 TYR 75 6.548 -4.697 -7.291 756 HE2 TYR 75 HE2 TYR 75 3.574 -2.839 -9.696 757 HH TYR 75 HH TYR 75 6.102 -2.677 -9.862 758 QB TYR 75 QB TYR 75 2.277 -3.549 -4.953 759 QR TYR 75 QR TYR 75 4.259 -3.854 -7.572 760 H GLU 76 HN GLU 76 -0.113 -4.162 -6.722 761 HA GLU 76 HA GLU 76 0.230 -5.981 -9.066 762 1HB GLU 76 2HB GLU 76 -2.459 -5.285 -7.815 763 2HB GLU 76 3HB GLU 76 -2.241 -6.191 -9.295 764 1HG GLU 76 2HG GLU 76 -1.101 -7.987 -8.084 765 2HG GLU 76 3HG GLU 76 -1.171 -7.071 -6.586 766 QB GLU 76 QB GLU 76 -2.350 -5.738 -8.556 767 QG GLU 76 QG GLU 76 -1.136 -7.529 -7.334 768 H VAL 77 HN VAL 77 -0.150 -4.938 -11.050 769 HA VAL 77 HA VAL 77 -0.542 -2.002 -10.868 770 HB VAL 77 HB VAL 77 0.379 -3.657 -13.247 771 1HG1 VAL 77 2HG VAL 77 0.638 -0.686 -12.652 772 2HG1 VAL 77 3HG VAL 77 1.302 -1.504 -14.063 773 3HG1 VAL 77 1HG VAL 77 -0.439 -1.401 -13.844 774 1HG2 VAL 77 3HG VAL 77 1.939 -3.928 -11.338 775 2HG2 VAL 77 1HG VAL 77 2.681 -2.996 -12.635 776 3HG2 VAL 77 2HG VAL 77 2.070 -2.179 -11.201 777 QG1 VAL 77 QG1 VAL 77 0.501 -1.197 -13.520 778 QG2 VAL 77 QG2 VAL 77 2.230 -3.035 -11.724 779 QQG VAL 77 QQG VAL 77 1.366 -2.116 -12.622 780 H LEU 78 HN LEU 78 -2.221 -4.609 -11.278 781 HA LEU 78 HA LEU 78 -4.326 -5.236 -12.054 782 1HB LEU 78 2HB LEU 78 -4.709 -2.223 -12.257 783 2HB LEU 78 3HB LEU 78 -5.993 -3.414 -12.293 784 HG LEU 78 HG LEU 78 -5.109 -4.171 -9.973 785 1HD1 LEU 78 3HD LEU 78 -3.780 -1.446 -10.212 786 2HD1 LEU 78 1HD LEU 78 -3.979 -2.335 -8.705 787 3HD1 LEU 78 2HD LEU 78 -2.967 -2.985 -9.971 788 1HD2 LEU 78 1HD LEU 78 -6.335 -1.418 -10.350 789 2HD2 LEU 78 2HD LEU 78 -7.224 -2.932 -10.296 790 3HD2 LEU 78 3HD LEU 78 -6.388 -2.341 -8.861 791 QB LEU 78 QB LEU 78 -5.351 -2.818 -12.275 792 QD1 LEU 78 QD1 LEU 78 -3.575 -2.255 -9.629 793 QD2 LEU 78 QD2 LEU 78 -6.649 -2.230 -9.836 794 QQD LEU 78 QQD LEU 78 -5.112 -2.243 -9.733 795 H ILE 79 HN ILE 79 -3.718 -2.340 -14.012 796 HA ILE 79 HA ILE 79 -4.209 -4.038 -16.436 797 HB ILE 79 HB ILE 79 -4.837 -1.076 -16.160 798 1HG1 ILE 79 2HG ILE 79 -6.739 -3.458 -16.136 799 2HG1 ILE 79 3HG ILE 79 -6.259 -2.582 -14.690 800 1HG2 ILE 79 3HG ILE 79 -4.378 -1.876 -18.469 801 2HG2 ILE 79 1HG ILE 79 -5.571 -3.154 -18.267 802 3HG2 ILE 79 2HG ILE 79 -6.074 -1.469 -18.277 803 1HD1 ILE 79 2HD ILE 79 -7.204 -0.491 -15.649 804 2HD1 ILE 79 3HD ILE 79 -7.710 -1.385 -17.081 805 3HD1 ILE 79 1HD ILE 79 -8.422 -1.752 -15.518 806 QG1 ILE 79 QG1 ILE 79 -6.499 -3.020 -15.413 807 QG2 ILE 79 QG2 ILE 79 -5.341 -2.166 -18.337 808 QD1 ILE 79 QD1 ILE 79 -7.779 -1.209 -16.083 809 H ASN 80 HN ASN 80 -2.016 -4.470 -16.575 810 HA ASN 80 HA ASN 80 -0.300 -2.176 -17.457 811 1HB ASN 80 2HB ASN 80 0.398 -3.431 -15.344 812 2HB ASN 80 3HB ASN 80 0.623 -4.857 -16.350 813 1HD2 ASN 80 2HD ASN 80 3.458 -3.369 -18.086 814 2HD2 ASN 80 1HD ASN 80 2.081 -4.304 -18.424 815 QB ASN 80 QB ASN 80 0.510 -4.144 -15.847 816 QD2 ASN 80 QD2 ASN 80 2.769 -3.837 -18.254 817 H ASN 81 HN ASN 81 -1.561 -2.648 -19.501 818 HA ASN 81 HA ASN 81 -0.202 -4.831 -21.028 819 1HB ASN 81 2HB ASN 81 -2.328 -4.970 -22.401 820 2HB ASN 81 3HB ASN 81 -2.487 -5.551 -20.749 821 1HD2 ASN 81 ASN 81 -4.337 -2.049 -21.802 822 2HD2 ASN 81 1HD ASN 81 -2.991 -2.576 -22.699 823 QB ASN 81 QB ASN 81 -2.408 -5.260 -21.574 824 QD2 ASN 81 QD2 ASN 81 -3.664 -2.313 -22.250 Start of MODEL 8 Raw file had 824 H/Q atoms Start of MODEL 8 1 1H HIS 1 HN1 HIS 1 9.166 4.071 -15.346 2 2H HIS 1 HN2 HIS 1 7.916 3.094 -15.822 3 3H HIS 1 HN3 HIS 1 7.653 4.295 -14.712 4 HA HIS 1 HA HIS 1 8.043 2.902 -13.074 5 1HB HIS 1 2HB HIS 1 7.278 1.120 -14.539 6 2HB HIS 1 3HB HIS 1 8.796 1.068 -15.374 7 HD1 HIS 1 HD1 HIS 1 7.860 0.769 -11.767 8 HD2 HIS 1 HD2 HIS 1 10.103 -1.250 -14.570 9 HE1 HIS 1 HE1 HIS 1 8.973 -1.132 -10.560 10 QB HIS 1 QB HIS 1 8.036 1.094 -14.957 11 H HIS 2 HN HIS 2 10.187 1.163 -12.517 12 HA HIS 2 HA HIS 2 12.327 2.920 -11.961 13 1HB HIS 2 2HB HIS 2 11.718 0.502 -11.097 14 2HB HIS 2 3HB HIS 2 12.761 -0.028 -12.388 15 HD1 HIS 2 HD1 HIS 2 13.484 -0.572 -9.564 16 HD2 HIS 2 HD2 HIS 2 14.896 2.762 -11.511 17 HE1 HIS 2 HE1 HIS 2 15.571 0.146 -8.331 18 QB HIS 2 QB HIS 2 12.239 0.237 -11.743 19 H SER 3 HN SER 3 11.368 1.704 -14.909 20 HA SER 3 HA SER 3 14.045 1.750 -16.150 21 1HB SER 3 2HB SER 3 12.305 1.211 -18.194 22 2HB SER 3 3HB SER 3 12.886 -0.049 -17.091 23 HG SER 3 HG SER 3 10.418 1.333 -17.120 24 QB SER 3 QB SER 3 12.595 0.581 -17.643 25 H GLY 4 HN GLY 4 14.382 3.024 -18.096 26 1HA GLY 4 1HA GLY 4 13.110 5.694 -17.882 27 2HA GLY 4 2HA GLY 4 14.601 5.339 -18.748 28 QA GLY 4 QA GLY 4 13.855 5.516 -18.315 29 H GLU 5 HN GLU 5 11.144 4.684 -18.788 30 HA GLU 5 HA GLU 5 11.236 4.569 -21.778 31 1HB GLU 5 2HB GLU 5 8.781 3.455 -20.856 32 2HB GLU 5 3HB GLU 5 10.133 2.582 -21.550 33 1HG GLU 5 2HG GLU 5 9.741 1.525 -19.465 34 2HG GLU 5 3HG GLU 5 11.129 2.552 -19.177 35 QB GLU 5 QB GLU 5 9.457 3.018 -21.203 36 QG GLU 5 QG GLU 5 10.436 2.038 -19.321 37 H HIS 6 HN HIS 6 8.372 4.819 -21.995 38 HA HIS 6 HA HIS 6 8.182 7.723 -21.528 39 1HB HIS 6 2HB HIS 6 5.898 7.382 -22.611 40 2HB HIS 6 3HB HIS 6 7.280 7.026 -23.613 41 HD1 HIS 6 HD1 HIS 6 5.183 5.065 -21.232 42 HD2 HIS 6 HD2 HIS 6 6.860 4.604 -24.957 43 HE1 HIS 6 HE1 HIS 6 4.517 2.769 -22.036 44 QB HIS 6 QB HIS 6 6.589 7.204 -23.111 45 H PHE 7 HN PHE 7 8.561 6.774 -19.255 46 HA PHE 7 HA PHE 7 7.494 5.704 -17.292 47 1HB PHE 7 2HB PHE 7 7.382 8.707 -17.468 48 2HB PHE 7 3HB PHE 7 7.092 7.829 -15.968 49 HD1 PHE 7 1HD PHE 7 9.609 8.611 -18.566 50 HD2 PHE 7 2HD PHE 7 8.918 6.601 -14.874 51 HE1 PHE 7 1HE PHE 7 12.023 8.299 -18.278 52 HE2 PHE 7 2HE PHE 7 11.336 6.259 -14.609 53 HZ PHE 7 HZ PHE 7 12.894 7.156 -16.279 54 QB PHE 7 QB PHE 7 7.237 8.268 -16.718 55 QR PHE 7 QR PHE 7 10.471 7.442 -16.581 56 H GLU 8 HN GLU 8 5.758 4.548 -17.893 57 HA GLU 8 HA GLU 8 3.315 4.629 -18.684 58 1HB GLU 8 2HB GLU 8 3.819 3.900 -15.787 59 2HB GLU 8 3HB GLU 8 2.564 3.240 -16.824 60 1HG GLU 8 2HG GLU 8 3.982 1.698 -17.723 61 2HG GLU 8 3HG GLU 8 5.209 2.900 -18.053 62 QB GLU 8 QB GLU 8 3.192 3.570 -16.306 63 QG GLU 8 QG GLU 8 4.596 2.299 -17.888 64 H GLY 9 HN GLY 9 2.733 6.915 -18.857 65 1HA GLY 9 1HA GLY 9 2.085 8.994 -17.530 66 2HA GLY 9 2HA GLY 9 0.706 8.186 -18.252 67 QA GLY 9 QA GLY 9 1.395 8.590 -17.892 68 H GLU 10 HN GLU 10 -0.379 6.534 -16.831 69 HA GLU 10 HA GLU 10 -0.259 7.304 -13.950 70 1HB GLU 10 2HB GLU 10 -2.695 7.218 -13.837 71 2HB GLU 10 3HB GLU 10 -2.228 8.358 -15.086 72 1HG GLU 10 2HG GLU 10 -3.315 7.170 -16.683 73 2HG GLU 10 3HG GLU 10 -2.513 5.676 -16.221 74 QB GLU 10 QB GLU 10 -2.462 7.788 -14.461 75 QG GLU 10 QG GLU 10 -2.913 6.423 -16.452 76 H LYS 11 HN LYS 11 -1.361 5.603 -12.577 77 HA LYS 11 HA LYS 11 -1.506 2.914 -13.757 78 1HB LYS 11 2HB LYS 11 0.684 3.775 -11.886 79 2HB LYS 11 3HB LYS 11 0.047 2.141 -11.750 80 1HG LYS 11 2HG LYS 11 0.442 1.936 -14.282 81 2HG LYS 11 3HG LYS 11 1.389 3.418 -14.139 82 1HD LYS 11 2HD LYS 11 2.713 2.295 -12.289 83 2HD LYS 11 3HD LYS 11 1.866 0.793 -12.662 84 1HE LYS 11 2HE LYS 11 2.861 0.606 -14.781 85 2HE LYS 11 3HE LYS 11 3.253 2.310 -14.843 86 1HZ LYS 11 1HZ LYS 11 4.531 1.035 -12.624 87 2HZ LYS 11 2HZ LYS 11 4.931 0.299 -14.116 88 3HZ LYS 11 3HZ LYS 11 5.198 1.952 -13.893 89 QB LYS 11 QB LYS 11 0.365 2.958 -11.818 90 QG LYS 11 QG LYS 11 0.915 2.678 -14.210 91 QD LYS 11 QD LYS 11 2.290 1.545 -12.476 92 QE LYS 11 QE LYS 11 3.056 1.459 -14.812 93 QZ LYS 11 QZ LYS 11 4.886 1.095 -13.545 94 H VAL 12 HN VAL 12 -1.978 1.271 -12.138 95 HA VAL 12 HA VAL 12 -3.457 2.237 -9.753 96 HB VAL 12 HB VAL 12 -5.164 1.873 -11.455 97 1HG1 VAL 12 3HG VAL 12 -3.841 -0.830 -11.926 98 2HG1 VAL 12 1HG VAL 12 -5.348 -0.301 -12.663 99 3HG1 VAL 12 2HG VAL 12 -3.848 0.533 -13.040 100 1HG2 VAL 12 2HG VAL 12 -4.991 -0.544 -9.626 101 2HG2 VAL 12 3HG VAL 12 -5.710 1.004 -9.215 102 3HG2 VAL 12 1HG VAL 12 -6.442 -0.008 -10.461 103 QG1 VAL 12 QG1 VAL 12 -4.346 -0.199 -12.542 104 QG2 VAL 12 QG2 VAL 12 -5.714 0.150 -9.767 105 QQG VAL 12 QQG VAL 12 -5.030 -0.025 -11.155 106 H PHE 13 HN PHE 13 -3.216 0.742 -7.974 107 HA PHE 13 HA PHE 13 -1.677 -1.725 -8.591 108 1HB PHE 13 2HB PHE 13 -0.792 0.374 -6.575 109 2HB PHE 13 3HB PHE 13 -0.178 -1.269 -6.590 110 HD1 PHE 13 1HD PHE 13 -0.453 1.782 -8.702 111 HD2 PHE 13 2HD PHE 13 1.625 -1.872 -8.043 112 HE1 PHE 13 1HE PHE 13 1.348 2.546 -10.181 113 HE2 PHE 13 2HE PHE 13 3.420 -1.119 -9.554 114 HZ PHE 13 HZ PHE 13 3.284 1.102 -10.601 115 QB PHE 13 QB PHE 13 -0.485 -0.448 -6.583 116 QR PHE 13 QR PHE 13 1.485 0.334 -9.120 117 NH1 ARG 14 NH2 ARG 14 -7.158 -3.604 -4.821 118 NH2 ARG 14 NH1 ARG 14 -7.081 -3.608 -7.088 119 H ARG 14 HN ARG 14 -1.630 -3.208 -6.856 120 HA ARG 14 HA ARG 14 -3.781 -2.763 -4.825 121 1HB ARG 14 2HB ARG 14 -4.685 -4.172 -6.663 122 2HB ARG 14 3HB ARG 14 -3.336 -5.283 -6.465 123 1HG ARG 14 2HG ARG 14 -4.036 -5.924 -4.264 124 2HG ARG 14 3HG ARG 14 -5.212 -4.624 -4.181 125 1HD ARG 14 2HD ARG 14 -5.352 -6.806 -6.280 126 2HD ARG 14 3HD ARG 14 -6.096 -6.999 -4.707 127 HE ARG 14 HE ARG 14 -7.767 -6.059 -6.294 128 1HH1 ARG 14 2HH ARG 14 -7.080 -4.109 -3.960 129 2HH1 ARG 14 1HH ARG 14 -7.268 -2.608 -4.815 130 1HH2 ARG 14 2HH ARG 14 -6.956 -4.128 -7.934 131 2HH2 ARG 14 1HH ARG 14 -7.181 -2.604 -7.120 132 QB ARG 14 QB ARG 14 -4.010 -4.727 -6.565 133 QG ARG 14 QG ARG 14 -4.624 -5.274 -4.222 134 QD ARG 14 QD ARG 14 -5.723 -6.902 -5.494 135 QH1 ARG 14 QH2 ARG 14 -7.174 -3.359 -4.387 136 QH2 ARG 14 QH1 ARG 14 -7.068 -3.367 -7.528 137 H VAL 15 HN VAL 15 -3.355 -3.615 -2.836 138 HA VAL 15 HA VAL 15 -0.676 -4.924 -2.463 139 HB VAL 15 HB VAL 15 -2.273 -3.166 -0.546 140 1HG1 VAL 15 1HG VAL 15 0.474 -4.457 -0.241 141 2HG1 VAL 15 2HG VAL 15 -0.217 -3.286 0.879 142 3HG1 VAL 15 3HG VAL 15 -0.969 -4.864 0.685 143 1HG2 VAL 15 3HG VAL 15 -1.227 -1.924 -2.425 144 2HG2 VAL 15 1HG VAL 15 -0.429 -1.543 -0.902 145 3HG2 VAL 15 2HG VAL 15 0.326 -2.653 -2.041 146 QG1 VAL 15 QG1 VAL 15 -0.237 -4.202 0.441 147 QG2 VAL 15 QG2 VAL 15 -0.443 -2.040 -1.789 148 QQG VAL 15 QQG VAL 15 -0.340 -3.121 -0.674 149 H ASN 16 HN ASN 16 -0.685 -6.851 -1.407 150 HA ASN 16 HA ASN 16 -3.372 -7.946 -0.681 151 1HB ASN 16 2HB ASN 16 -1.859 -9.020 -2.525 152 2HB ASN 16 3HB ASN 16 -0.851 -9.560 -1.180 153 1HD2 ASN 16 2HD ASN 16 -4.029 -11.710 -2.054 154 2HD2 ASN 16 1HD ASN 16 -3.307 -10.613 -3.130 155 QB ASN 16 QB ASN 16 -1.354 -9.290 -1.852 156 QD2 ASN 16 QD2 ASN 16 -3.668 -11.161 -2.592 157 H VAL 17 HN VAL 17 -3.309 -9.353 1.329 158 HA VAL 17 HA VAL 17 -1.118 -8.411 3.145 159 HB VAL 17 HB VAL 17 -3.926 -8.909 4.156 160 1HG1 VAL 17 1HG VAL 17 -2.039 -8.837 5.770 161 2HG1 VAL 17 2HG VAL 17 -1.564 -7.260 5.147 162 3HG1 VAL 17 3HG VAL 17 -3.097 -7.446 5.982 163 1HG2 VAL 17 3HG VAL 17 -2.789 -6.248 3.204 164 2HG2 VAL 17 1HG VAL 17 -4.098 -7.130 2.428 165 3HG2 VAL 17 2HG VAL 17 -4.325 -6.466 4.044 166 QG1 VAL 17 QG1 VAL 17 -2.234 -7.848 5.633 167 QG2 VAL 17 QG2 VAL 17 -3.738 -6.615 3.225 168 QQG VAL 17 QQG VAL 17 -2.985 -7.232 4.429 169 H GLU 18 HN GLU 18 0.019 -10.011 3.905 170 HA GLU 18 HA GLU 18 -1.029 -12.759 3.865 171 1HB GLU 18 2HB GLU 18 1.716 -11.927 4.825 172 2HB GLU 18 3HB GLU 18 1.233 -13.404 4.028 173 1HG GLU 18 2HG GLU 18 1.469 -10.679 2.749 174 2HG GLU 18 3HG GLU 18 2.529 -12.055 2.489 175 QB GLU 18 QB GLU 18 1.474 -12.666 4.426 176 QG GLU 18 QG GLU 18 2.000 -11.367 2.619 177 H ASP 19 HN ASP 19 0.742 -10.644 6.133 178 HA ASP 19 HA ASP 19 -0.882 -11.787 8.343 179 1HB ASP 19 2HB ASP 19 0.978 -12.367 9.714 180 2HB ASP 19 3HB ASP 19 1.419 -12.987 8.138 181 QB ASP 19 QB ASP 19 1.198 -12.677 8.926 182 H GLU 20 HN GLU 20 1.073 -10.283 10.118 183 HA GLU 20 HA GLU 20 -0.323 -7.693 9.830 184 1HB GLU 20 2HB GLU 20 -0.008 -8.899 12.034 185 2HB GLU 20 3HB GLU 20 1.715 -8.618 11.891 186 1HG GLU 20 2HG GLU 20 0.781 -6.897 13.313 187 2HG GLU 20 3HG GLU 20 1.245 -6.141 11.806 188 QB GLU 20 QB GLU 20 0.853 -8.759 11.962 189 QG GLU 20 QG GLU 20 1.013 -6.519 12.559 190 H ASN 21 HN ASN 21 2.716 -9.160 9.171 191 HA ASN 21 HA ASN 21 4.525 -7.040 9.177 192 1HB ASN 21 2HB ASN 21 4.861 -9.490 8.401 193 2HB ASN 21 3HB ASN 21 4.365 -8.927 6.814 194 1HD2 ASN 21 2HD ASN 21 7.487 -7.456 6.138 195 2HD2 ASN 21 1HD ASN 21 5.954 -7.899 5.559 196 QB ASN 21 QB ASN 21 4.612 -9.208 7.607 197 QD2 ASN 21 QD2 ASN 21 6.721 -7.678 5.849 198 H ASP 22 HN ASP 22 2.689 -7.922 6.205 199 HA ASP 22 HA ASP 22 3.242 -5.648 4.687 200 1HB ASP 22 2HB ASP 22 1.843 -7.498 3.773 201 2HB ASP 22 3HB ASP 22 0.550 -7.090 4.885 202 QB ASP 22 QB ASP 22 1.196 -7.294 4.329 203 H ILE 23 HN ILE 23 0.485 -6.004 6.894 204 HA ILE 23 HA ILE 23 -0.560 -3.410 6.604 205 HB ILE 23 HB ILE 23 -0.442 -5.027 9.189 206 1HG1 ILE 23 2HG ILE 23 -2.478 -5.126 6.927 207 2HG1 ILE 23 3HG ILE 23 -1.222 -6.331 7.178 208 1HG2 ILE 23 2HG ILE 23 -2.404 -2.945 8.139 209 2HG2 ILE 23 3HG ILE 23 -2.612 -3.855 9.631 210 3HG2 ILE 23 1HG ILE 23 -1.278 -2.728 9.475 211 1HD1 ILE 23 2HD ILE 23 -2.115 -6.798 9.433 212 2HD1 ILE 23 3HD ILE 23 -3.406 -5.642 9.133 213 3HD1 ILE 23 1HD ILE 23 -3.292 -7.104 8.163 214 QG1 ILE 23 QG1 ILE 23 -1.850 -5.729 7.052 215 QG2 ILE 23 QG2 ILE 23 -2.099 -3.176 9.081 216 QD1 ILE 23 QD1 ILE 23 -2.938 -6.515 8.910 217 H SER 24 HN SER 24 1.856 -4.538 8.867 218 HA SER 24 HA SER 24 2.374 -2.077 10.197 219 1HB SER 24 2HB SER 24 4.232 -4.444 9.660 220 2HB SER 24 3HB SER 24 4.519 -3.175 10.868 221 HG SER 24 HG SER 24 2.453 -5.103 10.733 222 QB SER 24 QB SER 24 4.375 -3.809 10.264 223 H GLU 25 HN GLU 25 3.994 -3.618 7.425 224 HA GLU 25 HA GLU 25 5.861 -1.534 6.895 225 1HB GLU 25 2HB GLU 25 4.593 -3.619 5.054 226 2HB GLU 25 3HB GLU 25 6.014 -2.675 4.657 227 1HG GLU 25 2HG GLU 25 7.217 -3.648 6.597 228 2HG GLU 25 3HG GLU 25 5.790 -4.574 7.024 229 QB GLU 25 QB GLU 25 5.304 -3.146 4.856 230 QG GLU 25 QG GLU 25 6.504 -4.111 6.811 231 H LEU 26 HN LEU 26 2.925 -2.350 5.016 232 HA LEU 26 HA LEU 26 2.715 -0.196 3.379 233 1HB LEU 26 2HB LEU 26 1.193 -2.066 3.218 234 2HB LEU 26 3HB LEU 26 0.611 -1.816 4.859 235 HG LEU 26 HG LEU 26 -0.142 0.452 4.137 236 1HD1 LEU 26 2HD LEU 26 0.397 -0.690 1.377 237 2HD1 LEU 26 3HD LEU 26 -0.493 0.798 1.682 238 3HD1 LEU 26 1HD LEU 26 1.210 0.691 2.105 239 1HD2 LEU 26 1HD LEU 26 -1.415 -1.951 2.783 240 2HD2 LEU 26 2HD LEU 26 -1.765 -1.366 4.404 241 3HD2 LEU 26 3HD LEU 26 -2.217 -0.397 3.007 242 QB LEU 26 QB LEU 26 0.902 -1.942 4.038 243 QD1 LEU 26 QD1 LEU 26 0.372 0.266 1.721 244 QD2 LEU 26 QD2 LEU 26 -1.799 -1.238 3.397 245 QQD LEU 26 QQD LEU 26 -0.714 -0.486 2.559 246 H HIS 27 HN HIS 27 1.488 -0.484 6.677 247 HA HIS 27 HA HIS 27 0.204 1.910 7.156 248 1HB HIS 27 2HB HIS 27 1.745 0.051 8.750 249 2HB HIS 27 3HB HIS 27 2.064 1.667 9.294 250 HD1 HIS 27 HD1 HIS 27 0.251 2.833 10.500 251 HD2 HIS 27 HD2 HIS 27 -1.063 -0.774 9.052 252 HE1 HIS 27 HE1 HIS 27 -2.020 2.442 11.523 253 QB HIS 27 QB HIS 27 1.904 0.859 9.021 254 H GLU 28 HN GLU 28 3.682 1.420 7.293 255 HA GLU 28 HA GLU 28 4.664 3.923 7.902 256 1HB GLU 28 2HB GLU 28 6.006 1.900 7.389 257 2HB GLU 28 3HB GLU 28 5.641 2.103 5.689 258 1HG GLU 28 2HG GLU 28 6.660 4.457 5.917 259 2HG GLU 28 3HG GLU 28 7.289 3.903 7.463 260 QB GLU 28 QB GLU 28 5.824 2.002 6.539 261 QG GLU 28 QG GLU 28 6.975 4.180 6.690 262 H LEU 29 HN LEU 29 3.882 2.824 4.627 263 HA LEU 29 HA LEU 29 4.394 4.962 2.984 264 1HB LEU 29 2HB LEU 29 3.151 2.728 2.509 265 2HB LEU 29 3HB LEU 29 1.686 3.575 2.937 266 HG LEU 29 HG LEU 29 1.795 3.685 0.568 267 1HD1 LEU 29 2HD LEU 29 1.310 5.908 1.588 268 2HD1 LEU 29 3HD LEU 29 3.024 6.307 1.437 269 3HD1 LEU 29 1HD LEU 29 2.059 6.019 0.001 270 1HD2 LEU 29 3HD LEU 29 4.682 4.564 0.848 271 2HD2 LEU 29 1HD LEU 29 4.118 2.995 0.282 272 3HD2 LEU 29 2HD LEU 29 3.797 4.441 -0.669 273 QB LEU 29 QB LEU 29 2.419 3.151 2.723 274 QD1 LEU 29 QD1 LEU 29 2.131 6.077 1.009 275 QD2 LEU 29 QD2 LEU 29 4.199 4.000 0.154 276 QQD LEU 29 QQD LEU 29 3.165 5.039 0.581 277 H ALA 30 HN ALA 30 1.556 4.608 5.049 278 HA ALA 30 HA ALA 30 0.064 6.848 4.396 279 1HB ALA 30 1HB ALA 30 -0.599 5.201 6.142 280 2HB ALA 30 2HB ALA 30 0.635 5.850 7.218 281 3HB ALA 30 3HB ALA 30 -0.738 6.848 6.751 282 QB ALA 30 QB ALA 30 -0.234 5.966 6.704 283 H SER 31 HN SER 31 2.832 6.749 6.609 284 HA SER 31 HA SER 31 2.947 9.284 7.656 285 1HB SER 31 2HB SER 31 5.304 7.840 6.385 286 2HB SER 31 3HB SER 31 5.391 9.088 7.650 287 HG SER 31 HG SER 31 4.639 6.444 7.821 288 QB SER 31 QB SER 31 5.347 8.464 7.018 289 H THR 32 HN THR 32 3.803 8.436 4.351 290 HA THR 32 HA THR 32 4.144 11.353 3.719 291 HB THR 32 HB THR 32 5.140 10.448 1.527 292 HG1 THR 32 1HG THR 32 4.036 8.226 2.584 293 1HG2 THR 32 1HG THR 32 6.391 9.338 4.092 294 2HG2 THR 32 2HG THR 32 7.229 9.581 2.566 295 3HG2 THR 32 3HG THR 32 6.656 10.968 3.487 296 QG2 THR 32 QG2 THR 32 6.759 9.962 3.382 297 NH1 ARG 33 NH2 ARG 33 -3.776 10.302 0.387 298 NH2 ARG 33 NH1 ARG 33 -5.292 11.401 1.691 299 H ARG 33 HN ARG 33 2.034 8.771 3.444 300 HA ARG 33 HA ARG 33 0.241 8.247 2.009 301 1HB ARG 33 2HB ARG 33 -0.120 10.546 3.609 302 2HB ARG 33 3HB ARG 33 -0.817 10.960 2.049 303 1HG ARG 33 2HG ARG 33 -2.009 8.680 2.139 304 2HG ARG 33 3HG ARG 33 -1.508 8.601 3.824 305 1HD ARG 33 2HD ARG 33 -3.821 9.533 3.513 306 2HD ARG 33 3HD ARG 33 -2.735 10.640 4.351 307 HE ARG 33 HE ARG 33 -2.612 11.993 2.312 308 1HH1 ARG 33 2HH ARG 33 -2.846 9.932 0.267 309 2HH1 ARG 33 1HH ARG 33 -4.467 10.152 -0.326 310 1HH2 ARG 33 2HH ARG 33 -5.492 11.914 2.523 311 2HH2 ARG 33 1HH ARG 33 -6.033 11.209 1.028 312 QB ARG 33 QB ARG 33 -0.468 10.752 2.829 313 QG ARG 33 QG ARG 33 -1.759 8.641 2.981 314 QD ARG 33 QD ARG 33 -3.278 10.086 3.932 315 QH1 ARG 33 QH2 ARG 33 -3.657 10.042 -0.030 316 QH2 ARG 33 QH1 ARG 33 -5.762 11.562 1.775 317 H GLN 34 HN GLN 34 2.450 8.754 0.440 318 HA GLN 34 HA GLN 34 2.156 10.698 -1.572 319 1HB GLN 34 2HB GLN 34 3.930 8.650 -1.137 320 2HB GLN 34 3HB GLN 34 3.024 7.994 -2.496 321 1HG GLN 34 2HG GLN 34 4.955 9.300 -3.303 322 2HG GLN 34 3HG GLN 34 3.457 10.096 -3.776 323 1HE2 GLN 34 2HE GLN 34 4.163 12.990 -1.882 324 2HE2 GLN 34 1HE GLN 34 3.144 12.228 -3.001 325 QB GLN 34 QB GLN 34 3.477 8.322 -1.816 326 QG GLN 34 QG GLN 34 4.206 9.698 -3.539 327 QE2 GLN 34 QE2 GLN 34 3.654 12.609 -2.442 328 H ILE 35 HN ILE 35 0.385 7.896 -0.922 329 HA ILE 35 HA ILE 35 -1.290 8.237 -3.363 330 HB ILE 35 HB ILE 35 -1.770 5.804 -3.163 331 1HG1 ILE 35 2HG ILE 35 0.132 4.693 -1.522 332 2HG1 ILE 35 3HG ILE 35 -0.210 6.160 -0.629 333 1HG2 ILE 35 1HG ILE 35 0.098 6.558 -4.579 334 2HG2 ILE 35 2HG ILE 35 1.195 6.441 -3.204 335 3HG2 ILE 35 3HG ILE 35 0.442 4.988 -3.860 336 1HD1 ILE 35 1HD ILE 35 -2.339 4.215 -1.568 337 2HD1 ILE 35 2HD ILE 35 -1.659 4.262 0.050 338 3HD1 ILE 35 3HD ILE 35 -2.593 5.623 -0.544 339 QG1 ILE 35 QG1 ILE 35 -0.039 5.426 -1.075 340 QG2 ILE 35 QG2 ILE 35 0.578 5.995 -3.881 341 QD1 ILE 35 QD1 ILE 35 -2.197 4.700 -0.688 342 H ASP 36 HN ASP 36 -3.489 7.170 -2.932 343 HA ASP 36 HA ASP 36 -4.487 7.839 -0.187 344 1HB ASP 36 2HB ASP 36 -5.138 9.331 -2.390 345 2HB ASP 36 3HB ASP 36 -6.381 8.090 -2.482 346 QB ASP 36 QB ASP 36 -5.760 8.710 -2.436 347 H PHE 37 HN PHE 37 -6.991 6.729 -0.288 348 HA PHE 37 HA PHE 37 -6.537 3.983 -1.361 349 1HB PHE 37 2HB PHE 37 -7.376 4.751 1.438 350 2HB PHE 37 3HB PHE 37 -7.578 3.121 0.804 351 HD1 PHE 37 2HD PHE 37 -5.226 2.418 -0.606 352 HD2 PHE 37 1HD PHE 37 -5.477 4.976 2.795 353 HE1 PHE 37 2HE PHE 37 -2.951 1.789 0.039 354 HE2 PHE 37 1HE PHE 37 -3.197 4.339 3.442 355 HZ PHE 37 HZ PHE 37 -1.937 2.720 2.077 356 QB PHE 37 QB PHE 37 -7.478 3.936 1.121 357 QR PHE 37 QR PHE 37 -4.213 3.380 1.417 358 CH2 TRP 38 CH2 TRP 38 -13.241 2.047 -7.942 359 H TRP 38 HN TRP 38 -8.440 2.659 -1.499 360 HA TRP 38 HA TRP 38 -10.982 4.217 -1.810 361 1HB TRP 38 2HB TRP 38 -9.836 3.798 -3.989 362 2HB TRP 38 3HB TRP 38 -9.899 2.088 -3.677 363 HD1 TRP 38 HD1 TRP 38 -13.171 3.452 -2.592 364 HE1 TRP 38 HE1 TRP 38 -14.928 3.141 -4.341 365 HE3 TRP 38 HE3 TRP 38 -10.193 2.282 -6.451 366 HZ2 TRP 38 HZ2 TRP 38 -15.121 2.442 -7.008 367 HZ3 TRP 38 HZ3 TRP 38 -11.245 1.737 -8.630 368 HH2 TRP 38 HH2 TRP 38 -13.680 1.812 -8.901 369 QB TRP 38 QB TRP 38 -9.868 2.943 -3.833 370 H LYS 39 HN LYS 39 -9.582 0.968 -1.739 371 HA LYS 39 HA LYS 39 -11.771 0.107 0.104 372 1HB LYS 39 2HB LYS 39 -10.681 -1.478 -2.255 373 2HB LYS 39 3HB LYS 39 -11.799 -2.103 -1.056 374 1HG LYS 39 2HG LYS 39 -13.524 -0.560 -1.721 375 2HG LYS 39 3HG LYS 39 -12.414 0.356 -2.721 376 1HD LYS 39 2HD LYS 39 -13.030 -2.576 -3.235 377 2HD LYS 39 3HD LYS 39 -13.988 -1.285 -3.945 378 1HE LYS 39 2HE LYS 39 -10.992 -1.703 -4.327 379 2HE LYS 39 3HE LYS 39 -12.244 -1.992 -5.533 380 1HZ LYS 39 1HZ LYS 39 -12.533 0.622 -4.532 381 2HZ LYS 39 2HZ LYS 39 -10.910 0.393 -4.967 382 3HZ LYS 39 3HZ LYS 39 -12.140 0.145 -6.108 383 QB LYS 39 QB LYS 39 -11.241 -1.791 -1.656 384 QG LYS 39 QG LYS 39 -12.969 -0.103 -2.221 385 QD LYS 39 QD LYS 39 -13.509 -1.931 -3.590 386 QE LYS 39 QE LYS 39 -11.618 -1.848 -4.930 387 QZ LYS 39 QZ LYS 39 -11.862 0.387 -5.203 388 HA PRO 40 HA PRO 40 -11.887 -0.275 2.136 389 1HB PRO 40 2HB PRO 40 -9.888 -0.007 4.347 390 2HB PRO 40 3HB PRO 40 -11.520 -0.690 4.385 391 1HG PRO 40 2HG PRO 40 -9.316 -2.282 4.439 392 2HG PRO 40 3HG PRO 40 -10.789 -2.797 3.604 393 1HD PRO 40 2HD PRO 40 -8.220 -1.729 2.452 394 2HD PRO 40 3HD PRO 40 -9.325 -2.946 1.780 395 QB PRO 40 QB PRO 40 -10.704 -0.349 4.366 396 QG PRO 40 QG PRO 40 -10.052 -2.540 4.022 397 QD PRO 40 QD PRO 40 -8.772 -2.337 2.116 398 H ASP 41 HN ASP 41 -11.609 1.741 3.936 399 HA ASP 41 HA ASP 41 -10.607 3.978 2.264 400 1HB ASP 41 2HB ASP 41 -12.009 5.367 3.749 401 2HB ASP 41 3HB ASP 41 -12.955 4.012 3.147 402 QB ASP 41 QB ASP 41 -12.482 4.690 3.448 403 H SER 42 HN SER 42 -10.470 2.880 5.646 404 HA SER 42 HA SER 42 -8.138 4.678 6.095 405 1HB SER 42 2HB SER 42 -9.961 3.175 8.023 406 2HB SER 42 3HB SER 42 -8.604 4.201 8.522 407 HG SER 42 HG SER 42 -11.024 4.896 7.228 408 QB SER 42 QB SER 42 -9.283 3.688 8.273 409 H VAL 43 HN VAL 43 -6.185 3.913 6.751 410 HA VAL 43 HA VAL 43 -5.752 0.969 6.498 411 HB VAL 43 HB VAL 43 -4.622 2.464 4.853 412 1HG1 VAL 43 1HG VAL 43 -3.188 3.596 7.279 413 2HG1 VAL 43 2HG VAL 43 -2.766 3.931 5.606 414 3HG1 VAL 43 3HG VAL 43 -4.317 4.457 6.244 415 1HG2 VAL 43 1HG VAL 43 -3.554 0.320 5.445 416 2HG2 VAL 43 2HG VAL 43 -2.351 1.546 5.067 417 3HG2 VAL 43 3HG VAL 43 -2.666 1.107 6.742 418 QG1 VAL 43 QG1 VAL 43 -3.424 3.995 6.376 419 QG2 VAL 43 QG2 VAL 43 -2.857 0.991 5.751 420 QQG VAL 43 QQG VAL 43 -3.140 2.493 6.064 421 H THR 44 HN THR 44 -6.828 1.880 8.791 422 HA THR 44 HA THR 44 -4.602 1.783 10.798 423 HB THR 44 HB THR 44 -6.295 2.964 12.326 424 HG1 THR 44 1HG THR 44 -7.962 3.914 10.706 425 1HG2 THR 44 1HG THR 44 -4.639 4.315 10.921 426 2HG2 THR 44 2HG THR 44 -5.843 4.369 9.642 427 3HG2 THR 44 3HG THR 44 -6.160 5.158 11.185 428 QG2 THR 44 QG2 THR 44 -5.547 4.614 10.583 429 H GLN 45 HN GLN 45 -8.097 1.209 10.851 430 HA GLN 45 HA GLN 45 -7.770 -1.075 12.673 431 1HB GLN 45 2HB GLN 45 -10.367 -1.181 12.274 432 2HB GLN 45 3HB GLN 45 -9.715 0.170 13.184 433 1HG GLN 45 2HG GLN 45 -9.866 1.643 11.294 434 2HG GLN 45 3HG GLN 45 -10.149 0.302 10.186 435 1HE2 GLN 45 2HE GLN 45 -13.586 0.967 10.499 436 2HE2 GLN 45 1HE GLN 45 -12.246 0.818 9.468 437 QB GLN 45 QB GLN 45 -10.041 -0.506 12.729 438 QG GLN 45 QG GLN 45 -10.008 0.973 10.740 439 QE2 GLN 45 QE2 GLN 45 -12.916 0.893 9.983 440 H ILE 46 HN ILE 46 -6.382 -1.662 10.581 441 HA ILE 46 HA ILE 46 -8.032 -3.556 8.954 442 HB ILE 46 HB ILE 46 -5.474 -2.148 8.233 443 1HG1 ILE 46 2HG ILE 46 -7.347 -0.649 8.191 444 2HG1 ILE 46 3HG ILE 46 -6.723 -0.948 6.573 445 1HG2 ILE 46 2HG ILE 46 -7.094 -4.108 6.618 446 2HG2 ILE 46 3HG ILE 46 -5.735 -3.178 5.998 447 3HG2 ILE 46 1HG ILE 46 -5.478 -4.378 7.257 448 1HD1 ILE 46 2HD ILE 46 -8.429 -2.686 6.269 449 2HD1 ILE 46 3HD ILE 46 -9.081 -2.310 7.861 450 3HD1 ILE 46 1HD ILE 46 -9.133 -1.101 6.578 451 QG1 ILE 46 QG1 ILE 46 -7.035 -0.799 7.383 452 QG2 ILE 46 QG2 ILE 46 -6.103 -3.888 6.625 453 QD1 ILE 46 QD1 ILE 46 -8.881 -2.032 6.903 454 H LYS 47 HN LYS 47 -7.332 -5.612 8.771 455 HA LYS 47 HA LYS 47 -4.863 -6.442 10.187 456 1HB LYS 47 2HB LYS 47 -7.694 -7.366 10.733 457 2HB LYS 47 3HB LYS 47 -6.309 -8.296 11.259 458 1HG LYS 47 2HG LYS 47 -6.738 -5.371 11.964 459 2HG LYS 47 3HG LYS 47 -7.191 -6.698 13.017 460 1HD LYS 47 2HD LYS 47 -5.023 -7.139 13.626 461 2HD LYS 47 3HD LYS 47 -4.387 -6.815 12.030 462 1HE LYS 47 2HE LYS 47 -4.831 -4.310 12.539 463 2HE LYS 47 3HE LYS 47 -5.039 -4.818 14.206 464 1HZ LYS 47 1HZ LYS 47 -2.745 -6.063 13.298 465 2HZ LYS 47 2HZ LYS 47 -2.624 -4.489 12.707 466 3HZ LYS 47 3HZ LYS 47 -2.815 -4.763 14.383 467 QB LYS 47 QB LYS 47 -7.001 -7.830 10.996 468 QG LYS 47 QG LYS 47 -6.964 -6.034 12.490 469 QD LYS 47 QD LYS 47 -4.705 -6.977 12.829 470 QE LYS 47 QE LYS 47 -4.935 -4.564 13.372 471 QZ LYS 47 QZ LYS 47 -2.728 -5.105 13.463 472 HA PRO 48 HA PRO 48 -3.705 -9.086 7.096 473 1HB PRO 48 2HB PRO 48 -4.489 -11.580 8.560 474 2HB PRO 48 3HB PRO 48 -2.943 -11.158 7.799 475 1HG PRO 48 2HG PRO 48 -3.252 -10.980 10.485 476 2HG PRO 48 3HG PRO 48 -2.274 -9.801 9.602 477 1HD PRO 48 2HD PRO 48 -5.000 -9.470 10.773 478 2HD PRO 48 3HD PRO 48 -3.737 -8.257 10.527 479 QB PRO 48 QB PRO 48 -3.716 -11.369 8.180 480 QG PRO 48 QG PRO 48 -2.763 -10.390 10.044 481 QD PRO 48 QD PRO 48 -4.368 -8.864 10.649 482 H HIS 49 HN HIS 49 -4.166 -11.112 5.725 483 HA HIS 49 HA HIS 49 -5.475 -11.617 3.831 484 1HB HIS 49 2HB HIS 49 -7.349 -13.198 4.677 485 2HB HIS 49 3HB HIS 49 -5.679 -13.611 4.950 486 HD1 HIS 49 HD1 HIS 49 -7.843 -11.310 6.910 487 HD2 HIS 49 HD2 HIS 49 -5.729 -14.792 7.514 488 HE1 HIS 49 HE1 HIS 49 -8.093 -11.893 9.354 489 QB HIS 49 QB HIS 49 -6.514 -13.404 4.813 490 H SER 50 HN SER 50 -6.079 -9.262 3.699 491 HA SER 50 HA SER 50 -9.039 -9.148 3.428 492 1HB SER 50 2HB SER 50 -8.775 -6.634 4.124 493 2HB SER 50 3HB SER 50 -8.751 -7.857 5.408 494 HG SER 50 HG SER 50 -6.755 -7.333 5.807 495 QB SER 50 QB SER 50 -8.763 -7.245 4.766 496 H THR 51 HN THR 51 -6.399 -6.864 2.850 497 HA THR 51 HA THR 51 -5.298 -6.622 0.614 498 HB THR 51 HB THR 51 -8.138 -6.987 -0.492 499 HG1 THR 51 1HG THR 51 -7.344 -8.947 -0.247 500 1HG2 THR 51 3HG THR 51 -5.477 -6.620 -1.945 501 2HG2 THR 51 1HG THR 51 -7.038 -6.913 -2.697 502 3HG2 THR 51 2HG THR 51 -6.731 -5.385 -1.883 503 QG2 THR 51 QG2 THR 51 -6.415 -6.306 -2.176 504 H VAL 52 HN VAL 52 -5.190 -4.690 -0.614 505 HA VAL 52 HA VAL 52 -6.990 -2.485 0.334 506 HB VAL 52 HB VAL 52 -4.063 -2.004 -0.201 507 1HG1 VAL 52 2HG VAL 52 -6.123 -0.646 1.572 508 2HG1 VAL 52 3HG VAL 52 -4.461 -0.113 1.363 509 3HG1 VAL 52 1HG VAL 52 -5.580 -0.065 0.004 510 1HG2 VAL 52 1HG VAL 52 -5.228 -2.894 2.462 511 2HG2 VAL 52 2HG VAL 52 -4.080 -3.803 1.484 512 3HG2 VAL 52 3HG VAL 52 -3.595 -2.284 2.227 513 QG1 VAL 52 QG1 VAL 52 -5.387 -0.275 0.980 514 QG2 VAL 52 QG2 VAL 52 -4.301 -2.994 2.058 515 QQG VAL 52 QQG VAL 52 -4.845 -1.634 1.518 516 H ASP 53 HN ASP 53 -7.229 -0.739 -1.188 517 HA ASP 53 HA ASP 53 -6.186 -1.276 -3.941 518 1HB ASP 53 2HB ASP 53 -8.557 -2.100 -3.699 519 2HB ASP 53 3HB ASP 53 -9.024 -0.479 -3.215 520 QB ASP 53 QB ASP 53 -8.790 -1.289 -3.457 521 H PHE 54 HN PHE 54 -5.740 0.517 -5.195 522 HA PHE 54 HA PHE 54 -6.727 3.148 -4.829 523 1HB PHE 54 2HB PHE 54 -4.803 4.291 -3.812 524 2HB PHE 54 3HB PHE 54 -5.464 3.119 -2.694 525 HD1 PHE 54 2HD PHE 54 -4.290 0.938 -2.321 526 HD2 PHE 54 1HD PHE 54 -2.563 4.029 -4.689 527 HE1 PHE 54 2HE PHE 54 -2.080 -0.074 -2.033 528 HE2 PHE 54 1HE PHE 54 -0.345 3.005 -4.403 529 HZ PHE 54 HZ PHE 54 -0.103 0.951 -3.077 530 QB PHE 54 QB PHE 54 -5.133 3.705 -3.253 531 QR PHE 54 QR PHE 54 -2.319 1.975 -3.362 532 NH1 ARG 55 NH1 ARG 55 -4.491 6.105 -11.841 533 NH2 ARG 55 NH2 ARG 55 -6.484 6.003 -12.940 534 H ARG 55 HN ARG 55 -5.018 4.793 -5.858 535 HA ARG 55 HA ARG 55 -3.543 3.397 -8.046 536 1HB ARG 55 2HB ARG 55 -5.027 5.987 -8.535 537 2HB ARG 55 3HB ARG 55 -4.372 4.864 -9.716 538 1HG ARG 55 2HG ARG 55 -6.081 3.163 -8.759 539 2HG ARG 55 3HG ARG 55 -6.865 4.574 -8.054 540 1HD ARG 55 2HD ARG 55 -6.608 3.789 -10.935 541 2HD ARG 55 3HD ARG 55 -7.951 4.562 -10.100 542 HE ARG 55 HE ARG 55 -6.623 6.714 -10.181 543 1HH1 ARG 55 2HH ARG 55 -3.973 6.105 -10.987 544 2HH1 ARG 55 1HH ARG 55 -3.998 6.159 -12.715 545 1HH2 ARG 55 2HH ARG 55 -7.479 5.936 -12.902 546 2HH2 ARG 55 1HH ARG 55 -6.017 6.048 -13.842 547 QB ARG 55 QB ARG 55 -4.699 5.426 -9.125 548 QG ARG 55 QG ARG 55 -6.472 3.869 -8.407 549 QD ARG 55 QD ARG 55 -7.279 4.176 -10.517 550 QH1 ARG 55 QH1 ARG 55 -3.985 6.132 -11.851 551 QH2 ARG 55 QH2 ARG 55 -6.748 5.992 -13.371 552 H VAL 56 HN VAL 56 -2.258 5.220 -9.315 553 HA VAL 56 HA VAL 56 -0.979 7.016 -7.270 554 HB VAL 56 HB VAL 56 0.586 5.784 -9.551 555 1HG1 VAL 56 3HG VAL 56 1.328 6.719 -6.751 556 2HG1 VAL 56 1HG VAL 56 2.460 6.029 -7.907 557 3HG1 VAL 56 2HG VAL 56 1.673 7.559 -8.254 558 1HG2 VAL 56 1HG VAL 56 0.072 4.452 -6.868 559 2HG2 VAL 56 2HG VAL 56 -0.455 3.853 -8.432 560 3HG2 VAL 56 3HG VAL 56 1.263 3.916 -8.049 561 QG1 VAL 56 QG1 VAL 56 1.820 6.769 -7.638 562 QG2 VAL 56 QG2 VAL 56 0.294 4.074 -7.783 563 QQG VAL 56 QQG VAL 56 1.057 5.421 -7.710 564 H LYS 57 HN LYS 57 0.272 8.847 -8.485 565 HA LYS 57 HA LYS 57 -1.548 9.836 -10.634 566 1HB LYS 57 2HB LYS 57 0.742 11.237 -9.216 567 2HB LYS 57 3HB LYS 57 -0.479 12.002 -10.214 568 1HG LYS 57 2HG LYS 57 -2.182 11.671 -8.605 569 2HG LYS 57 3HG LYS 57 -1.290 10.404 -7.781 570 1HD LYS 57 2HD LYS 57 -1.287 12.475 -6.454 571 2HD LYS 57 3HD LYS 57 0.337 12.044 -6.941 572 1HE LYS 57 2HE LYS 57 -1.311 13.946 -8.618 573 2HE LYS 57 3HE LYS 57 -0.434 14.530 -7.206 574 1HZ LYS 57 3HZ LYS 57 1.339 12.938 -8.646 575 2HZ LYS 57 1HZ LYS 57 0.575 13.951 -9.780 576 3HZ LYS 57 2HZ LYS 57 1.383 14.619 -8.462 577 QB LYS 57 QB LYS 57 0.131 11.619 -9.715 578 QG LYS 57 QG LYS 57 -1.735 11.037 -8.193 579 QD LYS 57 QD LYS 57 -0.475 12.260 -6.698 580 QE LYS 57 QE LYS 57 -0.872 14.238 -7.912 581 QZ LYS 57 QZ LYS 57 1.100 13.836 -8.962 582 H ALA 58 HN ALA 58 1.251 11.419 -11.161 583 HA ALA 58 HA ALA 58 2.350 9.307 -12.993 584 1HB ALA 58 2HB ALA 58 2.086 12.302 -13.497 585 2HB ALA 58 3HB ALA 58 2.845 11.154 -14.591 586 3HB ALA 58 1HB ALA 58 1.121 11.046 -14.263 587 QB ALA 58 QB ALA 58 2.017 11.500 -14.117 588 H GLU 59 HN GLU 59 3.109 12.509 -11.818 589 HA GLU 59 HA GLU 59 5.857 12.465 -11.718 590 1HB GLU 59 2HB GLU 59 4.270 13.633 -9.424 591 2HB GLU 59 3HB GLU 59 5.711 14.284 -10.191 592 1HG GLU 59 2HG GLU 59 4.223 15.652 -11.280 593 2HG GLU 59 3HG GLU 59 3.957 14.256 -12.319 594 QB GLU 59 QB GLU 59 4.990 13.959 -9.807 595 QG GLU 59 QG GLU 59 4.090 14.954 -11.800 596 H ASP 60 HN ASP 60 3.639 10.889 -9.521 597 HA ASP 60 HA ASP 60 5.902 10.034 -7.795 598 1HB ASP 60 2HB ASP 60 3.827 9.360 -6.279 599 2HB ASP 60 3HB ASP 60 4.382 11.027 -6.374 600 QB ASP 60 QB ASP 60 4.105 10.193 -6.327 601 H ILE 61 HN ILE 61 5.159 8.539 -10.342 602 HA ILE 61 HA ILE 61 4.185 5.921 -9.263 603 HB ILE 61 HB ILE 61 5.357 6.724 -11.840 604 1HG1 ILE 61 2HG ILE 61 2.456 6.572 -10.899 605 2HG1 ILE 61 3HG ILE 61 3.299 7.986 -11.496 606 1HG2 ILE 61 2HG ILE 61 5.377 4.214 -11.547 607 2HG2 ILE 61 3HG ILE 61 3.671 4.248 -11.139 608 3HG2 ILE 61 1HG ILE 61 4.207 4.620 -12.774 609 1HD1 ILE 61 3HD ILE 61 3.443 6.952 -13.747 610 2HD1 ILE 61 1HD ILE 61 2.557 5.550 -13.151 611 3HD1 ILE 61 2HD ILE 61 1.775 7.117 -13.217 612 QG1 ILE 61 QG1 ILE 61 2.878 7.278 -11.197 613 QG2 ILE 61 QG2 ILE 61 4.418 4.361 -11.821 614 QD1 ILE 61 QD1 ILE 61 2.592 6.539 -13.371 615 H LEU 62 HN LEU 62 6.421 7.185 -8.444 616 HA LEU 62 HA LEU 62 8.497 5.110 -8.776 617 1HB LEU 62 2HB LEU 62 10.127 6.865 -7.996 618 2HB LEU 62 3HB LEU 62 9.341 7.241 -9.518 619 HG LEU 62 HG LEU 62 7.588 8.379 -7.722 620 1HD1 LEU 62 2HD LEU 62 9.140 7.934 -5.814 621 2HD1 LEU 62 3HD LEU 62 10.388 8.841 -6.646 622 3HD1 LEU 62 1HD LEU 62 8.925 9.655 -6.100 623 1HD2 LEU 62 2HD LEU 62 10.030 9.640 -8.982 624 2HD2 LEU 62 3HD LEU 62 8.471 9.396 -9.771 625 3HD2 LEU 62 1HD LEU 62 8.607 10.512 -8.417 626 QB LEU 62 QB LEU 62 9.734 7.053 -8.757 627 QD1 LEU 62 QD1 LEU 62 9.484 8.810 -6.187 628 QD2 LEU 62 QD2 LEU 62 9.036 9.850 -9.057 629 QQD LEU 62 QQD LEU 62 9.260 9.329 -7.621 630 H ALA 63 HN ALA 63 7.010 7.192 -6.321 631 HA ALA 63 HA ALA 63 8.508 6.019 -4.157 632 1HB ALA 63 1HB ALA 63 5.825 7.453 -4.081 633 2HB ALA 63 2HB ALA 63 6.820 7.091 -2.673 634 3HB ALA 63 3HB ALA 63 7.401 8.213 -3.897 635 QB ALA 63 QB ALA 63 6.682 7.585 -3.550 636 H VAL 64 HN VAL 64 5.311 5.326 -5.485 637 HA VAL 64 HA VAL 64 4.630 3.351 -3.519 638 HB VAL 64 HB VAL 64 3.828 3.523 -6.463 639 1HG1 VAL 64 3HG VAL 64 3.315 1.326 -5.433 640 2HG1 VAL 64 1HG VAL 64 2.477 2.139 -4.113 641 3HG1 VAL 64 2HG VAL 64 1.843 2.226 -5.755 642 1HG2 VAL 64 1HG VAL 64 2.532 4.657 -3.964 643 2HG2 VAL 64 2HG VAL 64 3.320 5.600 -5.226 644 3HG2 VAL 64 3HG VAL 64 1.834 4.726 -5.581 645 QG1 VAL 64 QG1 VAL 64 2.545 1.897 -5.101 646 QG2 VAL 64 QG2 VAL 64 2.562 4.994 -4.923 647 QQG VAL 64 QQG VAL 64 2.553 3.446 -5.012 648 H GLU 65 HN GLU 65 5.924 2.980 -6.822 649 HA GLU 65 HA GLU 65 6.383 0.185 -6.686 650 1HB GLU 65 2HB GLU 65 8.138 2.154 -8.205 651 2HB GLU 65 3HB GLU 65 7.792 0.483 -8.622 652 1HG GLU 65 2HG GLU 65 5.329 1.139 -8.875 653 2HG GLU 65 3HG GLU 65 5.835 2.820 -8.719 654 QB GLU 65 QB GLU 65 7.965 1.318 -8.413 655 QG GLU 65 QG GLU 65 5.581 1.980 -8.797 656 H ASP 66 HN ASP 66 8.650 2.867 -5.942 657 HA ASP 66 HA ASP 66 10.830 1.321 -5.029 658 1HB ASP 66 2HB ASP 66 10.820 3.852 -5.316 659 2HB ASP 66 3HB ASP 66 9.899 3.962 -3.830 660 QB ASP 66 QB ASP 66 10.360 3.906 -4.573 661 H PHE 67 HN PHE 67 8.385 2.891 -3.014 662 HA PHE 67 HA PHE 67 8.914 1.815 -0.528 663 1HB PHE 67 2HB PHE 67 7.058 3.434 -1.050 664 2HB PHE 67 3HB PHE 67 6.087 2.113 -1.659 665 HD1 PHE 67 1HD PHE 67 5.441 0.224 -0.150 666 HD2 PHE 67 2HD PHE 67 7.341 3.732 1.370 667 HE1 PHE 67 1HE PHE 67 4.758 -0.383 2.128 668 HE2 PHE 67 2HE PHE 67 6.642 3.115 3.641 669 HZ PHE 67 HZ PHE 67 5.380 1.041 4.017 670 QB PHE 67 QB PHE 67 6.572 2.773 -1.354 671 QR PHE 67 QR PHE 67 6.045 1.671 1.748 672 H LEU 68 HN LEU 68 7.133 0.274 -3.128 673 HA LEU 68 HA LEU 68 6.649 -2.155 -1.565 674 1HB LEU 68 2HB LEU 68 6.378 -1.643 -4.551 675 2HB LEU 68 3HB LEU 68 5.716 -3.029 -3.694 676 HG LEU 68 HG LEU 68 5.010 -0.174 -2.931 677 1HD1 LEU 68 2HD LEU 68 3.541 -2.045 -4.827 678 2HD1 LEU 68 3HD LEU 68 2.934 -0.491 -4.260 679 3HD1 LEU 68 1HD LEU 68 4.360 -0.562 -5.297 680 1HD2 LEU 68 2HD LEU 68 3.683 -2.859 -2.433 681 2HD2 LEU 68 3HD LEU 68 4.592 -1.929 -1.252 682 3HD2 LEU 68 1HD LEU 68 3.075 -1.300 -1.882 683 QB LEU 68 QB LEU 68 6.047 -2.336 -4.123 684 QD1 LEU 68 QD1 LEU 68 3.612 -1.033 -4.795 685 QD2 LEU 68 QD2 LEU 68 3.783 -2.029 -1.855 686 QQD LEU 68 QQD LEU 68 3.697 -1.531 -3.325 687 H GLU 69 HN GLU 69 8.274 -1.881 -4.705 688 HA GLU 69 HA GLU 69 9.664 -4.265 -4.688 689 1HB GLU 69 2HB GLU 69 9.768 -1.825 -6.197 690 2HB GLU 69 3HB GLU 69 11.413 -2.337 -5.868 691 1HG GLU 69 2HG GLU 69 10.845 -3.477 -7.877 692 2HG GLU 69 3HG GLU 69 10.650 -4.693 -6.628 693 QB GLU 69 QB GLU 69 10.590 -2.081 -6.033 694 QG GLU 69 QG GLU 69 10.748 -4.085 -7.253 695 H GLN 70 HN GLN 70 10.944 -1.176 -3.380 696 HA GLN 70 HA GLN 70 13.535 -1.882 -2.688 697 1HB GLN 70 2HB GLN 70 11.494 -0.388 -1.027 698 2HB GLN 70 3HB GLN 70 13.124 -0.647 -0.437 699 1HG GLN 70 2HG GLN 70 12.436 0.743 -3.053 700 2HG GLN 70 3HG GLN 70 12.861 1.560 -1.560 701 1HE2 GLN 70 2HE GLN 70 15.854 0.993 -3.859 702 2HE2 GLN 70 1HE GLN 70 14.291 1.575 -4.183 703 QB GLN 70 QB GLN 70 12.309 -0.517 -0.733 704 QG GLN 70 QG GLN 70 12.648 1.152 -2.306 705 QE2 GLN 70 QE2 GLN 70 15.073 1.284 -4.021 706 H ASN 71 HN ASN 71 10.622 -2.885 -0.992 707 HA ASN 71 HA ASN 71 12.237 -4.927 0.452 708 1HB ASN 71 2HB ASN 71 9.583 -4.104 1.541 709 2HB ASN 71 3HB ASN 71 11.086 -4.453 2.350 710 1HD2 ASN 71 2HD ASN 71 10.317 -0.624 1.186 711 2HD2 ASN 71 1HD ASN 71 9.380 -1.889 0.591 712 QB ASN 71 QB ASN 71 10.334 -4.279 1.945 713 QD2 ASN 71 QD2 ASN 71 9.849 -1.256 0.889 714 H GLU 72 HN GLU 72 11.165 -5.433 -2.135 715 HA GLU 72 HA GLU 72 9.239 -6.482 -3.212 716 1HB GLU 72 2HB GLU 72 9.656 -9.011 -2.450 717 2HB GLU 72 3HB GLU 72 10.815 -8.141 -3.436 718 1HG GLU 72 2HG GLU 72 10.957 -8.219 -0.400 719 2HG GLU 72 3HG GLU 72 11.811 -9.361 -1.432 720 QB GLU 72 QB GLU 72 10.236 -8.576 -2.943 721 QG GLU 72 QG GLU 72 11.384 -8.790 -0.916 722 H LEU 73 HN LEU 73 7.722 -5.248 -1.681 723 HA LEU 73 HA LEU 73 6.433 -6.715 0.441 724 1HB LEU 73 2HB LEU 73 6.316 -4.083 -0.668 725 2HB LEU 73 3HB LEU 73 4.685 -4.728 -0.766 726 HG LEU 73 HG LEU 73 4.834 -5.320 1.685 727 1HD1 LEU 73 3HD LEU 73 7.322 -5.392 1.872 728 2HD1 LEU 73 1HD LEU 73 7.385 -3.661 1.560 729 3HD1 LEU 73 2HD LEU 73 6.623 -4.261 3.020 730 1HD2 LEU 73 3HD LEU 73 3.782 -3.197 0.891 731 2HD2 LEU 73 1HD LEU 73 4.542 -2.996 2.466 732 3HD2 LEU 73 2HD LEU 73 5.346 -2.389 1.020 733 QB LEU 73 QB LEU 73 5.500 -4.406 -0.717 734 QD1 LEU 73 QD1 LEU 73 7.110 -4.438 2.151 735 QD2 LEU 73 QD2 LEU 73 4.557 -2.861 1.460 736 QQD LEU 73 QQD LEU 73 5.833 -3.649 1.805 737 H GLN 74 HN GLN 74 3.923 -6.999 0.203 738 HA GLN 74 HA GLN 74 3.567 -8.898 -2.042 739 1HB GLN 74 2HB GLN 74 1.878 -8.299 0.421 740 2HB GLN 74 3HB GLN 74 1.509 -9.553 -0.755 741 1HG GLN 74 2HG GLN 74 4.189 -9.448 0.647 742 2HG GLN 74 3HG GLN 74 2.813 -10.282 1.345 743 1HE2 GLN 74 2HE GLN 74 3.290 -13.102 -0.682 744 2HE2 GLN 74 1HE GLN 74 2.561 -12.426 0.692 745 QB GLN 74 QB GLN 74 1.693 -8.926 -0.166 746 QG GLN 74 QG GLN 74 3.500 -9.865 0.996 747 QE2 GLN 74 QE2 GLN 74 2.926 -12.764 0.006 748 OH TYR 75 OH TYR 75 6.657 -6.371 -7.799 749 H TYR 75 HN TYR 75 3.398 -7.261 -3.665 750 HA TYR 75 HA TYR 75 0.688 -5.955 -3.720 751 1HB TYR 75 2HB TYR 75 1.646 -4.141 -5.044 752 2HB TYR 75 3HB TYR 75 2.621 -4.318 -3.590 753 HD1 TYR 75 HD1 TYR 75 4.697 -5.892 -3.775 754 HD2 TYR 75 HD2 TYR 75 2.729 -4.236 -7.165 755 HE1 TYR 75 HE1 TYR 75 6.522 -6.668 -5.203 756 HE2 TYR 75 HE2 TYR 75 4.614 -4.945 -8.570 757 HH TYR 75 HH TYR 75 7.248 -5.627 -8.008 758 QB TYR 75 QB TYR 75 2.133 -4.230 -4.317 759 QR TYR 75 QR TYR 75 4.640 -5.435 -6.178 760 H GLU 76 HN GLU 76 0.026 -5.460 -6.006 761 HA GLU 76 HA GLU 76 0.843 -7.643 -7.887 762 1HB GLU 76 2HB GLU 76 -1.987 -6.591 -7.868 763 2HB GLU 76 3HB GLU 76 -1.397 -8.153 -8.407 764 1HG GLU 76 2HG GLU 76 -0.971 -8.791 -6.016 765 2HG GLU 76 3HG GLU 76 -1.666 -7.253 -5.513 766 QB GLU 76 QB GLU 76 -1.692 -7.371 -8.138 767 QG GLU 76 QG GLU 76 -1.318 -8.022 -5.765 768 H VAL 77 HN VAL 77 0.621 -6.981 -10.167 769 HA VAL 77 HA VAL 77 0.484 -3.996 -10.472 770 HB VAL 77 HB VAL 77 2.076 -5.795 -12.331 771 1HG1 VAL 77 2HG VAL 77 2.260 -2.854 -11.550 772 2HG1 VAL 77 3HG VAL 77 3.316 -3.666 -12.705 773 3HG1 VAL 77 1HG VAL 77 1.602 -3.483 -13.060 774 1HG2 VAL 77 2HG VAL 77 3.072 -4.472 -9.779 775 2HG2 VAL 77 3HG VAL 77 2.949 -6.208 -10.043 776 3HG2 VAL 77 1HG VAL 77 4.098 -5.254 -10.979 777 QG1 VAL 77 QG1 VAL 77 2.393 -3.335 -12.438 778 QG2 VAL 77 QG2 VAL 77 3.373 -5.311 -10.267 779 QQG VAL 77 QQG VAL 77 2.882 -4.323 -11.353 780 H LEU 78 HN LEU 78 -1.705 -5.506 -10.544 781 HA LEU 78 HA LEU 78 -3.281 -6.629 -12.086 782 1HB LEU 78 2HB LEU 78 -3.508 -3.615 -12.262 783 2HB LEU 78 3HB LEU 78 -4.818 -4.755 -12.510 784 HG LEU 78 HG LEU 78 -3.235 -4.561 -9.917 785 1HD1 LEU 78 1HD LEU 78 -5.918 -3.344 -10.657 786 2HD1 LEU 78 2HD LEU 78 -5.191 -3.319 -9.052 787 3HD1 LEU 78 3HD LEU 78 -4.426 -2.452 -10.380 788 1HD2 LEU 78 2HD LEU 78 -4.396 -6.727 -10.325 789 2HD2 LEU 78 3HD LEU 78 -5.139 -5.845 -9.005 790 3HD2 LEU 78 1HD LEU 78 -5.905 -5.862 -10.590 791 QB LEU 78 QB LEU 78 -4.163 -4.186 -12.386 792 QD1 LEU 78 QD1 LEU 78 -5.178 -3.038 -10.030 793 QD2 LEU 78 QD2 LEU 78 -5.146 -6.145 -9.973 794 QQD LEU 78 QQD LEU 78 -5.163 -4.592 -10.002 795 H ILE 79 HN ILE 79 -2.138 -3.702 -13.814 796 HA ILE 79 HA ILE 79 -2.822 -4.871 -16.370 797 HB ILE 79 HB ILE 79 -1.797 -2.739 -17.186 798 1HG1 ILE 79 2HG ILE 79 -1.594 -1.788 -14.354 799 2HG1 ILE 79 3HG ILE 79 -0.249 -2.692 -15.038 800 1HG2 ILE 79 2HG ILE 79 -4.195 -2.836 -16.602 801 2HG2 ILE 79 3HG ILE 79 -3.805 -2.424 -14.937 802 3HG2 ILE 79 1HG ILE 79 -3.531 -1.253 -16.223 803 1HD1 ILE 79 3HD ILE 79 -0.140 -1.100 -16.934 804 2HD1 ILE 79 1HD ILE 79 -1.483 -0.190 -16.244 805 3HD1 ILE 79 2HD ILE 79 0.053 -0.270 -15.395 806 QG1 ILE 79 QG1 ILE 79 -0.921 -2.241 -14.696 807 QG2 ILE 79 QG2 ILE 79 -3.844 -2.171 -15.921 808 QD1 ILE 79 QD1 ILE 79 -0.523 -0.520 -16.190 809 H ASN 80 HN ASN 80 -1.305 -6.693 -15.480 810 HA ASN 80 HA ASN 80 1.553 -6.219 -16.097 811 1HB ASN 80 2HB ASN 80 0.664 -7.660 -14.129 812 2HB ASN 80 3HB ASN 80 0.189 -8.836 -15.350 813 1HD2 ASN 80 2HD ASN 80 3.537 -9.838 -16.039 814 2HD2 ASN 80 1HD ASN 80 1.971 -9.762 -16.706 815 QB ASN 80 QB ASN 80 0.426 -8.248 -14.740 816 QD2 ASN 80 QD2 ASN 80 2.754 -9.800 -16.373 817 H ASN 81 HN ASN 81 -0.137 -5.723 -18.133 818 HA ASN 81 HA ASN 81 0.685 -7.605 -20.181 819 1HB ASN 81 2HB ASN 81 -1.382 -8.675 -19.146 820 2HB ASN 81 3HB ASN 81 -2.289 -7.249 -19.634 821 1HD2 ASN 81 ASN 81 -1.090 -8.473 -23.151 822 2HD2 ASN 81 1HD ASN 81 -0.294 -7.358 -22.151 823 QB ASN 81 QB ASN 81 -1.836 -7.962 -19.390 824 QD2 ASN 81 QD2 ASN 81 -0.693 -7.915 -22.650 Start of MODEL 9 Raw file had 824 H/Q atoms Start of MODEL 9 1 1H HIS 1 HN2 HIS 1 6.428 1.079 -17.917 2 2H HIS 1 HN3 HIS 1 5.761 1.805 -16.587 3 3H HIS 1 HN1 HIS 1 6.644 2.700 -17.663 4 HA HIS 1 HA HIS 1 8.491 2.329 -16.557 5 1HB HIS 1 2HB HIS 1 7.005 2.247 -14.590 6 2HB HIS 1 3HB HIS 1 6.745 0.545 -14.840 7 HD1 HIS 1 HD1 HIS 1 7.753 1.246 -12.265 8 HD2 HIS 1 HD2 HIS 1 10.443 0.631 -15.326 9 HE1 HIS 1 HE1 HIS 1 9.951 0.632 -11.186 10 QB HIS 1 QB HIS 1 6.875 1.396 -14.715 11 H HIS 2 HN HIS 2 6.859 -0.850 -16.462 12 HA HIS 2 HA HIS 2 9.364 -2.012 -17.593 13 1HB HIS 2 2HB HIS 2 8.944 -3.972 -16.444 14 2HB HIS 2 3HB HIS 2 8.403 -2.760 -15.322 15 HD1 HIS 2 HD1 HIS 2 5.575 -2.294 -16.361 16 HD2 HIS 2 HD2 HIS 2 7.191 -6.062 -15.913 17 HE1 HIS 2 HE1 HIS 2 3.657 -3.866 -15.956 18 QB HIS 2 QB HIS 2 8.673 -3.366 -15.883 19 H SER 3 HN SER 3 8.995 -3.958 -18.992 20 HA SER 3 HA SER 3 7.281 -3.203 -21.202 21 1HB SER 3 2HB SER 3 8.777 -5.826 -20.877 22 2HB SER 3 3HB SER 3 8.394 -4.960 -22.377 23 HG SER 3 HG SER 3 10.273 -4.030 -22.035 24 QB SER 3 QB SER 3 8.586 -5.394 -21.626 25 H GLY 4 HN GLY 4 5.848 -3.989 -18.725 26 1HA GLY 4 1HA GLY 4 4.142 -6.120 -19.973 27 2HA GLY 4 2HA GLY 4 4.551 -6.197 -18.257 28 QA GLY 4 QA GLY 4 4.346 -6.159 -19.115 29 H GLU 5 HN GLU 5 3.634 -3.535 -20.418 30 HA GLU 5 HA GLU 5 1.350 -2.967 -18.596 31 1HB GLU 5 2HB GLU 5 3.297 -0.909 -19.700 32 2HB GLU 5 3HB GLU 5 1.963 -0.592 -18.604 33 1HG GLU 5 2HG GLU 5 3.015 -1.926 -16.839 34 2HG GLU 5 3HG GLU 5 4.264 -2.471 -17.945 35 QB GLU 5 QB GLU 5 2.629 -0.751 -19.152 36 QG GLU 5 QG GLU 5 3.639 -2.198 -17.392 37 H HIS 6 HN HIS 6 0.032 -1.146 -19.540 38 HA HIS 6 HA HIS 6 -0.295 -1.372 -22.499 39 1HB HIS 6 2HB HIS 6 -2.577 -1.357 -20.506 40 2HB HIS 6 3HB HIS 6 -2.701 -1.555 -22.232 41 HD1 HIS 6 HD1 HIS 6 -0.257 -3.629 -22.247 42 HD2 HIS 6 HD2 HIS 6 -3.694 -3.979 -19.995 43 HE1 HIS 6 HE1 HIS 6 -0.574 -6.083 -21.798 44 QB HIS 6 QB HIS 6 -2.639 -1.457 -21.370 45 H PHE 7 HN PHE 7 -0.766 0.383 -19.538 46 HA PHE 7 HA PHE 7 -1.010 2.936 -21.053 47 1HB PHE 7 2HB PHE 7 -3.180 2.317 -20.094 48 2HB PHE 7 3HB PHE 7 -2.448 2.055 -18.519 49 HD1 PHE 7 2HD PHE 7 -3.063 4.700 -21.083 50 HD2 PHE 7 1HD PHE 7 -2.242 3.857 -16.988 51 HE1 PHE 7 2HE PHE 7 -3.549 7.034 -20.501 52 HE2 PHE 7 1HE PHE 7 -2.734 6.188 -16.415 53 HZ PHE 7 HZ PHE 7 -3.384 7.781 -18.166 54 QB PHE 7 QB PHE 7 -2.814 2.186 -19.307 55 QR PHE 7 QR PHE 7 -2.897 5.445 -18.747 56 H GLU 8 HN GLU 8 -0.060 4.754 -20.023 57 HA GLU 8 HA GLU 8 1.835 4.183 -17.791 58 1HB GLU 8 2HB GLU 8 2.409 5.488 -20.464 59 2HB GLU 8 3HB GLU 8 3.403 5.843 -19.058 60 1HG GLU 8 2HG GLU 8 2.833 2.971 -19.800 61 2HG GLU 8 3HG GLU 8 4.106 3.860 -20.628 62 QB GLU 8 QB GLU 8 2.906 5.666 -19.762 63 QG GLU 8 QG GLU 8 3.470 3.416 -20.215 64 H GLY 9 HN GLY 9 2.828 6.640 -17.313 65 1HA GLY 9 1HA GLY 9 2.222 8.899 -16.711 66 2HA GLY 9 2HA GLY 9 0.576 8.573 -17.275 67 QA GLY 9 QA GLY 9 1.399 8.735 -16.994 68 H GLU 10 HN GLU 10 -0.487 6.744 -16.025 69 HA GLU 10 HA GLU 10 0.153 6.903 -13.106 70 1HB GLU 10 2HB GLU 10 -2.646 6.842 -14.288 71 2HB GLU 10 3HB GLU 10 -2.226 7.030 -12.593 72 1HG GLU 10 2HG GLU 10 -1.149 9.213 -13.093 73 2HG GLU 10 3HG GLU 10 -1.522 9.005 -14.802 74 QB GLU 10 QB GLU 10 -2.436 6.937 -13.441 75 QG GLU 10 QG GLU 10 -1.336 9.109 -13.947 76 H LYS 11 HN LYS 11 -0.763 4.971 -11.933 77 HA LYS 11 HA LYS 11 -1.165 2.615 -13.692 78 1HB LYS 11 2HB LYS 11 0.814 2.583 -11.395 79 2HB LYS 11 3HB LYS 11 0.599 1.347 -12.623 80 1HG LYS 11 2HG LYS 11 1.599 4.169 -13.187 81 2HG LYS 11 3HG LYS 11 2.655 2.796 -12.944 82 1HD LYS 11 2HD LYS 11 0.510 2.463 -14.997 83 2HD LYS 11 3HD LYS 11 1.803 3.588 -15.389 84 1HE LYS 11 2HE LYS 11 3.478 1.806 -14.873 85 2HE LYS 11 3HE LYS 11 2.160 0.681 -14.562 86 1HZ LYS 11 2HZ LYS 11 1.691 1.884 -17.043 87 2HZ LYS 11 3HZ LYS 11 3.319 1.408 -17.034 88 3HZ LYS 11 1HZ LYS 11 2.096 0.268 -16.740 89 QB LYS 11 QB LYS 11 0.706 1.965 -12.008 90 QG LYS 11 QG LYS 11 2.128 3.482 -13.066 91 QD LYS 11 QD LYS 11 1.156 3.026 -15.193 92 QE LYS 11 QE LYS 11 2.818 1.243 -14.718 93 QZ LYS 11 QZ LYS 11 2.368 1.186 -16.939 94 H VAL 12 HN VAL 12 -2.347 0.922 -12.625 95 HA VAL 12 HA VAL 12 -3.312 1.635 -9.879 96 HB VAL 12 HB VAL 12 -4.951 0.475 -12.168 97 1HG1 VAL 12 2HG VAL 12 -5.744 1.207 -9.319 98 2HG1 VAL 12 3HG VAL 12 -6.856 0.683 -10.583 99 3HG1 VAL 12 1HG VAL 12 -5.642 -0.431 -9.958 100 1HG2 VAL 12 1HG VAL 12 -4.495 2.909 -12.378 101 2HG2 VAL 12 2HG VAL 12 -6.191 2.617 -12.010 102 3HG2 VAL 12 3HG VAL 12 -5.093 3.165 -10.745 103 QG1 VAL 12 QG1 VAL 12 -6.081 0.487 -9.953 104 QG2 VAL 12 QG2 VAL 12 -5.260 2.897 -11.711 105 QQG VAL 12 QQG VAL 12 -5.670 1.692 -10.832 106 H PHE 13 HN PHE 13 -2.725 0.100 -8.477 107 HA PHE 13 HA PHE 13 -2.701 -2.737 -9.413 108 1HB PHE 13 2HB PHE 13 -0.667 -2.070 -7.362 109 2HB PHE 13 3HB PHE 13 -0.555 -3.152 -8.729 110 HD1 PHE 13 1HD PHE 13 -0.493 0.479 -7.845 111 HD2 PHE 13 2HD PHE 13 0.654 -2.480 -10.688 112 HE1 PHE 13 1HE PHE 13 1.129 2.036 -8.835 113 HE2 PHE 13 2HE PHE 13 2.307 -0.926 -11.637 114 HZ PHE 13 HZ PHE 13 2.571 1.322 -10.679 115 QB PHE 13 QB PHE 13 -0.611 -2.611 -8.045 116 QR PHE 13 QR PHE 13 0.899 -0.223 -9.751 117 NH1 ARG 14 NH2 ARG 14 -10.075 -4.073 -7.131 118 NH2 ARG 14 NH1 ARG 14 -9.437 -6.035 -8.114 119 H ARG 14 HN ARG 14 -2.467 -4.190 -7.364 120 HA ARG 14 HA ARG 14 -4.190 -3.047 -5.180 121 1HB ARG 14 2HB ARG 14 -4.310 -5.642 -6.685 122 2HB ARG 14 3HB ARG 14 -4.658 -5.714 -4.963 123 1HG ARG 14 2HG ARG 14 -6.459 -4.102 -5.181 124 2HG ARG 14 3HG ARG 14 -6.021 -3.751 -6.847 125 1HD ARG 14 2HD ARG 14 -6.884 -5.797 -7.645 126 2HD ARG 14 3HD ARG 14 -6.761 -6.583 -6.068 127 HE ARG 14 HE ARG 14 -8.658 -5.048 -5.329 128 1HH1 ARG 14 2HH ARG 14 -9.929 -3.410 -6.378 129 2HH1 ARG 14 1HH ARG 14 -10.791 -3.906 -7.805 130 1HH2 ARG 14 2HH ARG 14 -8.833 -6.832 -8.104 131 2HH2 ARG 14 1HH ARG 14 -10.128 -5.945 -8.830 132 QB ARG 14 QB ARG 14 -4.484 -5.678 -5.824 133 QG ARG 14 QG ARG 14 -6.240 -3.927 -6.014 134 QD ARG 14 QD ARG 14 -6.822 -6.190 -6.856 135 QH1 ARG 14 QH2 ARG 14 -10.359 -3.658 -7.091 136 QH2 ARG 14 QH1 ARG 14 -9.480 -6.389 -8.467 137 H VAL 15 HN VAL 15 -3.810 -4.187 -3.047 138 HA VAL 15 HA VAL 15 -0.964 -5.108 -2.797 139 HB VAL 15 HB VAL 15 -2.480 -3.502 -0.706 140 1HG1 VAL 15 2HG VAL 15 -0.638 -4.942 0.125 141 2HG1 VAL 15 3HG VAL 15 0.465 -4.191 -1.023 142 3HG1 VAL 15 1HG VAL 15 -0.228 -3.237 0.287 143 1HG2 VAL 15 3HG VAL 15 -0.442 -2.524 -2.738 144 2HG2 VAL 15 1HG VAL 15 -2.147 -2.084 -2.685 145 3HG2 VAL 15 2HG VAL 15 -1.065 -1.569 -1.395 146 QG1 VAL 15 QG1 VAL 15 -0.134 -4.124 -0.203 147 QG2 VAL 15 QG2 VAL 15 -1.218 -2.059 -2.272 148 QQG VAL 15 QQG VAL 15 -0.676 -3.091 -1.238 149 H ASN 16 HN ASN 16 -0.722 -6.989 -1.634 150 HA ASN 16 HA ASN 16 -3.258 -8.137 -0.580 151 1HB ASN 16 2HB ASN 16 -0.592 -9.316 -1.361 152 2HB ASN 16 3HB ASN 16 -1.555 -10.155 -0.144 153 1HD2 ASN 16 2HD ASN 16 -3.984 -11.277 -2.456 154 2HD2 ASN 16 1HD ASN 16 -3.547 -11.162 -0.811 155 QB ASN 16 QB ASN 16 -1.073 -9.736 -0.752 156 QD2 ASN 16 QD2 ASN 16 -3.766 -11.219 -1.634 157 H VAL 17 HN VAL 17 -3.578 -8.378 1.498 158 HA VAL 17 HA VAL 17 -1.355 -7.709 3.375 159 HB VAL 17 HB VAL 17 -4.323 -7.017 3.577 160 1HG1 VAL 17 3HG VAL 17 -2.062 -6.588 5.553 161 2HG1 VAL 17 1HG VAL 17 -3.707 -5.987 5.750 162 3HG1 VAL 17 2HG VAL 17 -3.393 -7.715 5.766 163 1HG2 VAL 17 1HG VAL 17 -2.969 -5.491 2.162 164 2HG2 VAL 17 2HG VAL 17 -3.491 -4.692 3.642 165 3HG2 VAL 17 3HG VAL 17 -1.836 -5.275 3.490 166 QG1 VAL 17 QG1 VAL 17 -3.055 -6.764 5.690 167 QG2 VAL 17 QG2 VAL 17 -2.766 -5.153 3.098 168 QQG VAL 17 QQG VAL 17 -2.910 -5.959 4.394 169 H GLU 18 HN GLU 18 -0.987 -9.926 3.131 170 HA GLU 18 HA GLU 18 -3.128 -11.728 4.102 171 1HB GLU 18 2HB GLU 18 -1.016 -11.988 2.197 172 2HB GLU 18 3HB GLU 18 -0.678 -13.122 3.497 173 1HG GLU 18 2HG GLU 18 -2.137 -14.097 1.695 174 2HG GLU 18 3HG GLU 18 -2.906 -14.117 3.273 175 QB GLU 18 QB GLU 18 -0.847 -12.555 2.847 176 QG GLU 18 QG GLU 18 -2.522 -14.107 2.484 177 H ASP 19 HN ASP 19 -0.163 -10.207 5.144 178 HA ASP 19 HA ASP 19 -0.648 -11.605 7.723 179 1HB ASP 19 2HB ASP 19 1.423 -12.506 7.995 180 2HB ASP 19 3HB ASP 19 1.494 -12.402 6.278 181 QB ASP 19 QB ASP 19 1.458 -12.454 7.137 182 H GLU 20 HN GLU 20 1.298 -10.484 9.141 183 HA GLU 20 HA GLU 20 0.098 -7.822 9.566 184 1HB GLU 20 2HB GLU 20 2.120 -9.505 11.078 185 2HB GLU 20 3HB GLU 20 1.433 -8.017 11.662 186 1HG GLU 20 2HG GLU 20 -0.376 -10.267 10.781 187 2HG GLU 20 3HG GLU 20 0.314 -10.275 12.393 188 QB GLU 20 QB GLU 20 1.776 -8.761 11.370 189 QG GLU 20 QG GLU 20 -0.031 -10.271 11.586 190 H ASN 21 HN ASN 21 2.972 -9.099 8.175 191 HA ASN 21 HA ASN 21 4.640 -6.775 8.571 192 1HB ASN 21 2HB ASN 21 5.320 -9.177 7.715 193 2HB ASN 21 3HB ASN 21 4.872 -8.557 6.130 194 1HD2 ASN 21 2HD ASN 21 7.579 -6.211 6.023 195 2HD2 ASN 21 1HD ASN 21 6.072 -6.615 5.361 196 QB ASN 21 QB ASN 21 5.096 -8.866 6.922 197 QD2 ASN 21 QD2 ASN 21 6.825 -6.414 5.692 198 H ASP 22 HN ASP 22 2.755 -7.980 5.806 199 HA ASP 22 HA ASP 22 2.910 -5.912 3.993 200 1HB ASP 22 2HB ASP 22 0.589 -7.620 4.904 201 2HB ASP 22 3HB ASP 22 0.295 -6.390 3.705 202 QB ASP 22 QB ASP 22 0.442 -7.005 4.305 203 H ILE 23 HN ILE 23 0.951 -5.897 6.937 204 HA ILE 23 HA ILE 23 -0.190 -3.283 6.383 205 HB ILE 23 HB ILE 23 -0.021 -4.786 9.038 206 1HG1 ILE 23 2HG ILE 23 -2.188 -4.812 6.897 207 2HG1 ILE 23 3HG ILE 23 -1.007 -6.096 7.127 208 1HG2 ILE 23 3HG ILE 23 -0.663 -2.345 9.127 209 2HG2 ILE 23 1HG ILE 23 -1.969 -2.673 7.991 210 3HG2 ILE 23 2HG ILE 23 -1.988 -3.400 9.595 211 1HD1 ILE 23 2HD ILE 23 -2.994 -5.180 9.219 212 2HD1 ILE 23 3HD ILE 23 -3.114 -6.645 8.255 213 3HD1 ILE 23 1HD ILE 23 -1.809 -6.464 9.413 214 QG1 ILE 23 QG1 ILE 23 -1.598 -5.454 7.013 215 QG2 ILE 23 QG2 ILE 23 -1.540 -2.806 8.904 216 QD1 ILE 23 QD1 ILE 23 -2.639 -6.097 8.962 217 H SER 24 HN SER 24 2.119 -4.395 8.862 218 HA SER 24 HA SER 24 2.993 -1.963 9.902 219 1HB SER 24 2HB SER 24 4.800 -4.312 9.142 220 2HB SER 24 3HB SER 24 5.099 -3.114 10.425 221 HG SER 24 HG SER 24 3.300 -5.233 10.334 222 QB SER 24 QB SER 24 4.949 -3.714 9.784 223 H GLU 25 HN GLU 25 4.239 -3.537 6.952 224 HA GLU 25 HA GLU 25 6.017 -1.406 6.307 225 1HB GLU 25 2HB GLU 25 5.031 -3.854 5.063 226 2HB GLU 25 3HB GLU 25 5.268 -2.599 3.876 227 1HG GLU 25 2HG GLU 25 7.363 -3.938 4.237 228 2HG GLU 25 3HG GLU 25 7.596 -2.254 4.684 229 QB GLU 25 QB GLU 25 5.149 -3.226 4.470 230 QG GLU 25 QG GLU 25 7.479 -3.096 4.460 231 H LEU 26 HN LEU 26 2.575 -1.938 5.242 232 HA LEU 26 HA LEU 26 2.484 0.344 3.566 233 1HB LEU 26 2HB LEU 26 0.648 -1.511 4.786 234 2HB LEU 26 3HB LEU 26 0.030 0.106 5.059 235 HG LEU 26 HG LEU 26 -0.832 -0.840 3.002 236 1HD1 LEU 26 1HD LEU 26 1.129 1.441 2.538 237 2HD1 LEU 26 2HD LEU 26 -0.182 1.017 1.448 238 3HD1 LEU 26 3HD LEU 26 -0.539 1.598 3.073 239 1HD2 LEU 26 1HD LEU 26 2.032 -0.975 2.059 240 2HD2 LEU 26 2HD LEU 26 0.968 -2.342 2.380 241 3HD2 LEU 26 3HD LEU 26 0.616 -1.242 1.049 242 QB LEU 26 QB LEU 26 0.339 -0.703 4.922 243 QD1 LEU 26 QD1 LEU 26 0.136 1.352 2.353 244 QD2 LEU 26 QD2 LEU 26 1.205 -1.520 1.829 245 QQD LEU 26 QQD LEU 26 0.671 -0.084 2.091 246 H HIS 27 HN HIS 27 1.698 0.036 6.998 247 HA HIS 27 HA HIS 27 0.872 2.465 7.846 248 1HB HIS 27 2HB HIS 27 2.718 0.458 8.960 249 2HB HIS 27 3HB HIS 27 2.848 2.014 9.711 250 HD1 HIS 27 HD1 HIS 27 0.238 2.958 10.160 251 HD2 HIS 27 HD2 HIS 27 0.880 -1.092 10.384 252 HE1 HIS 27 HE1 HIS 27 -1.684 2.002 11.490 253 QB HIS 27 QB HIS 27 2.782 1.236 9.336 254 H GLU 28 HN GLU 28 4.280 1.773 7.188 255 HA GLU 28 HA GLU 28 5.376 4.291 7.750 256 1HB GLU 28 2HB GLU 28 6.704 2.312 7.122 257 2HB GLU 28 3HB GLU 28 6.078 2.369 5.484 258 1HG GLU 28 2HG GLU 28 8.276 3.414 5.498 259 2HG GLU 28 3HG GLU 28 7.095 4.694 5.278 260 QB GLU 28 QB GLU 28 6.391 2.340 6.303 261 QG GLU 28 QG GLU 28 7.685 4.055 5.388 262 H LEU 29 HN LEU 29 4.588 3.240 4.470 263 HA LEU 29 HA LEU 29 4.622 5.724 3.158 264 1HB LEU 29 2HB LEU 29 4.362 3.495 2.026 265 2HB LEU 29 3HB LEU 29 2.743 3.363 2.682 266 HG LEU 29 HG LEU 29 2.020 5.351 1.398 267 1HD1 LEU 29 3HD LEU 29 4.859 5.337 0.299 268 2HD1 LEU 29 1HD LEU 29 3.540 6.347 -0.288 269 3HD1 LEU 29 2HD LEU 29 4.165 6.583 1.335 270 1HD2 LEU 29 1HD LEU 29 3.497 3.300 -0.293 271 2HD2 LEU 29 2HD LEU 29 1.854 3.133 0.321 272 3HD2 LEU 29 3HD LEU 29 2.223 4.371 -0.877 273 QB LEU 29 QB LEU 29 3.553 3.429 2.354 274 QD1 LEU 29 QD1 LEU 29 4.188 6.089 0.449 275 QD2 LEU 29 QD2 LEU 29 2.524 3.601 -0.283 276 QQD LEU 29 QQD LEU 29 3.356 4.845 0.083 277 H ALA 30 HN ALA 30 1.882 4.075 4.615 278 HA ALA 30 HA ALA 30 -0.189 5.875 4.162 279 1HB ALA 30 2HB ALA 30 0.380 4.336 6.715 280 2HB ALA 30 3HB ALA 30 -1.175 5.038 6.289 281 3HB ALA 30 1HB ALA 30 -0.501 3.732 5.316 282 QB ALA 30 QB ALA 30 -0.432 4.368 6.107 283 H SER 31 HN SER 31 2.054 5.955 6.922 284 HA SER 31 HA SER 31 1.195 8.118 8.387 285 1HB SER 31 2HB SER 31 4.082 7.689 7.493 286 2HB SER 31 3HB SER 31 3.550 8.546 8.954 287 HG SER 31 HG SER 31 3.431 5.809 8.325 288 QB SER 31 QB SER 31 3.816 8.118 8.223 289 H THR 32 HN THR 32 2.761 8.170 5.299 290 HA THR 32 HA THR 32 1.898 10.990 4.863 291 HB THR 32 HB THR 32 4.623 9.720 4.274 292 HG1 THR 32 1HG THR 32 3.524 11.040 6.259 293 1HG2 THR 32 3HG THR 32 3.888 11.271 2.383 294 2HG2 THR 32 1HG THR 32 3.633 12.528 3.590 295 3HG2 THR 32 2HG THR 32 5.248 11.890 3.305 296 QG2 THR 32 QG2 THR 32 4.257 11.896 3.093 297 NH1 ARG 33 NH1 ARG 33 -4.672 8.920 0.504 298 NH2 ARG 33 NH2 ARG 33 -6.309 7.752 1.613 299 H ARG 33 HN ARG 33 0.234 9.195 4.192 300 HA ARG 33 HA ARG 33 0.584 7.651 1.871 301 1HB ARG 33 2HB ARG 33 -1.397 7.731 3.570 302 2HB ARG 33 3HB ARG 33 -2.062 8.966 2.503 303 1HG ARG 33 2HG ARG 33 -1.846 7.392 0.585 304 2HG ARG 33 3HG ARG 33 -1.212 6.170 1.663 305 1HD ARG 33 2HD ARG 33 -3.733 6.040 1.076 306 2HD ARG 33 3HD ARG 33 -3.275 5.856 2.767 307 HE ARG 33 HE ARG 33 -4.087 8.132 3.175 308 1HH1 ARG 33 2HH ARG 33 -3.690 9.145 0.404 309 2HH1 ARG 33 1HH ARG 33 -5.333 9.295 -0.155 310 1HH2 ARG 33 2HH ARG 33 -6.568 7.139 2.373 311 2HH2 ARG 33 1HH ARG 33 -7.013 8.081 0.966 312 QB ARG 33 QB ARG 33 -1.729 8.349 3.036 313 QG ARG 33 QG ARG 33 -1.529 6.781 1.124 314 QD ARG 33 QD ARG 33 -3.505 5.948 1.921 315 QH1 ARG 33 QH1 ARG 33 -4.512 9.220 0.125 316 QH2 ARG 33 QH2 ARG 33 -6.790 7.610 1.669 317 H GLN 34 HN GLN 34 1.916 9.150 0.592 318 HA GLN 34 HA GLN 34 0.837 11.474 -0.682 319 1HB GLN 34 2HB GLN 34 2.932 9.542 -1.763 320 2HB GLN 34 3HB GLN 34 2.622 11.156 -2.388 321 1HG GLN 34 2HG GLN 34 3.072 11.945 0.073 322 2HG GLN 34 3HG GLN 34 3.816 10.361 0.275 323 1HE2 GLN 34 2HE GLN 34 5.877 13.235 -1.605 324 2HE2 GLN 34 1HE GLN 34 4.493 13.523 -0.664 325 QB GLN 34 QB GLN 34 2.777 10.349 -2.076 326 QG GLN 34 QG GLN 34 3.444 11.153 0.174 327 QE2 GLN 34 QE2 GLN 34 5.185 13.379 -1.134 328 H ILE 35 HN ILE 35 0.041 8.257 -1.014 329 HA ILE 35 HA ILE 35 -1.155 8.611 -3.730 330 HB ILE 35 HB ILE 35 -1.509 6.076 -3.557 331 1HG1 ILE 35 2HG ILE 35 0.396 5.102 -1.934 332 2HG1 ILE 35 3HG ILE 35 0.028 6.544 -1.011 333 1HG2 ILE 35 1HG ILE 35 0.270 7.075 -4.910 334 2HG2 ILE 35 2HG ILE 35 1.342 7.082 -3.511 335 3HG2 ILE 35 3HG ILE 35 0.779 5.554 -4.186 336 1HD1 ILE 35 1HD ILE 35 -1.992 4.453 -1.882 337 2HD1 ILE 35 2HD ILE 35 -1.351 4.653 -0.254 338 3HD1 ILE 35 3HD ILE 35 -2.368 5.902 -0.962 339 QG1 ILE 35 QG1 ILE 35 0.211 5.822 -1.472 340 QG2 ILE 35 QG2 ILE 35 0.797 6.570 -4.203 341 QD1 ILE 35 QD1 ILE 35 -1.903 5.003 -1.033 342 H ASP 36 HN ASP 36 -3.311 7.132 -3.804 343 HA ASP 36 HA ASP 36 -4.739 7.667 -1.245 344 1HB ASP 36 2HB ASP 36 -5.322 9.420 -2.993 345 2HB ASP 36 3HB ASP 36 -6.054 8.122 -3.929 346 QB ASP 36 QB ASP 36 -5.688 8.771 -3.461 347 H PHE 37 HN PHE 37 -6.462 6.361 -0.785 348 HA PHE 37 HA PHE 37 -6.284 3.695 -2.136 349 1HB PHE 37 2HB PHE 37 -7.007 4.430 0.727 350 2HB PHE 37 3HB PHE 37 -7.223 2.821 0.069 351 HD1 PHE 37 2HD PHE 37 -4.842 2.360 -1.490 352 HD2 PHE 37 1HD PHE 37 -5.208 4.325 2.253 353 HE1 PHE 37 2HE PHE 37 -2.531 1.735 -0.934 354 HE2 PHE 37 1HE PHE 37 -2.915 3.653 2.838 355 HZ PHE 37 HZ PHE 37 -1.556 2.414 1.208 356 QB PHE 37 QB PHE 37 -7.115 3.625 0.398 357 QR PHE 37 QR PHE 37 -3.873 3.018 0.667 358 CH2 TRP 38 CH2 TRP 38 -9.117 3.599 -8.792 359 H TRP 38 HN TRP 38 -8.197 2.435 -2.090 360 HA TRP 38 HA TRP 38 -10.693 4.068 -2.415 361 1HB TRP 38 2HB TRP 38 -9.530 1.765 -3.913 362 2HB TRP 38 3HB TRP 38 -11.252 1.735 -3.681 363 HD1 TRP 38 HD1 TRP 38 -12.216 4.572 -4.313 364 HE1 TRP 38 HE1 TRP 38 -12.085 5.500 -6.634 365 HE3 TRP 38 HE3 TRP 38 -8.468 1.739 -6.021 366 HZ2 TRP 38 HZ2 TRP 38 -10.618 5.112 -8.957 367 HZ3 TRP 38 HZ3 TRP 38 -7.717 2.046 -8.359 368 HH2 TRP 38 HH2 TRP 38 -8.784 3.712 -9.815 369 QB TRP 38 QB TRP 38 -10.391 1.750 -3.797 370 H LYS 39 HN LYS 39 -9.495 0.846 -1.616 371 HA LYS 39 HA LYS 39 -11.267 0.753 0.744 372 1HB LYS 39 2HB LYS 39 -12.630 -0.275 -0.952 373 2HB LYS 39 3HB LYS 39 -11.315 -1.236 -1.554 374 1HG LYS 39 2HG LYS 39 -11.350 -2.064 1.071 375 2HG LYS 39 3HG LYS 39 -13.034 -1.621 0.868 376 1HD LYS 39 2HD LYS 39 -13.133 -3.818 0.173 377 2HD LYS 39 3HD LYS 39 -12.814 -3.043 -1.370 378 1HE LYS 39 2HE LYS 39 -10.889 -4.548 0.423 379 2HE LYS 39 3HE LYS 39 -11.278 -4.864 -1.261 380 1HZ LYS 39 3HZ LYS 39 -10.196 -2.255 -0.962 381 2HZ LYS 39 1HZ LYS 39 -9.158 -3.388 -0.288 382 3HZ LYS 39 2HZ LYS 39 -9.647 -3.517 -1.920 383 QB LYS 39 QB LYS 39 -11.972 -0.756 -1.252 384 QG LYS 39 QG LYS 39 -12.191 -1.842 0.969 385 QD LYS 39 QD LYS 39 -12.974 -3.431 -0.598 386 QE LYS 39 QE LYS 39 -11.083 -4.706 -0.419 387 QZ LYS 39 QZ LYS 39 -9.667 -3.053 -1.056 388 HA PRO 40 HA PRO 40 -11.055 0.388 2.808 389 1HB PRO 40 2HB PRO 40 -9.053 0.791 4.751 390 2HB PRO 40 3HB PRO 40 -10.255 -0.505 4.772 391 1HG PRO 40 2HG PRO 40 -7.377 -0.589 3.883 392 2HG PRO 40 3HG PRO 40 -8.335 -1.850 4.669 393 1HD PRO 40 2HD PRO 40 -7.776 -1.902 1.993 394 2HD PRO 40 3HD PRO 40 -9.281 -2.570 2.653 395 QB PRO 40 QB PRO 40 -9.654 0.144 4.761 396 QG PRO 40 QG PRO 40 -7.856 -1.219 4.276 397 QD PRO 40 QD PRO 40 -8.529 -2.236 2.323 398 H ASP 41 HN ASP 41 -10.080 2.499 4.234 399 HA ASP 41 HA ASP 41 -8.986 4.284 2.105 400 1HB ASP 41 2HB ASP 41 -10.074 6.092 3.373 401 2HB ASP 41 3HB ASP 41 -11.246 4.815 3.062 402 QB ASP 41 QB ASP 41 -10.660 5.454 3.218 403 H SER 42 HN SER 42 -8.836 3.685 5.611 404 HA SER 42 HA SER 42 -6.058 4.811 5.576 405 1HB SER 42 2HB SER 42 -8.099 4.643 7.840 406 2HB SER 42 3HB SER 42 -6.454 5.289 8.002 407 HG SER 42 HG SER 42 -8.642 6.269 6.490 408 QB SER 42 QB SER 42 -7.276 4.966 7.921 409 H VAL 43 HN VAL 43 -4.442 3.599 6.744 410 HA VAL 43 HA VAL 43 -5.206 0.749 7.043 411 HB VAL 43 HB VAL 43 -3.424 1.236 5.441 412 1HG1 VAL 43 3HG VAL 43 -1.877 2.278 7.833 413 2HG1 VAL 43 1HG VAL 43 -1.212 2.017 6.226 414 3HG1 VAL 43 2HG VAL 43 -2.457 3.234 6.476 415 1HG2 VAL 43 1HG VAL 43 -3.397 -0.935 6.602 416 2HG2 VAL 43 2HG VAL 43 -1.759 -0.393 6.260 417 3HG2 VAL 43 3HG VAL 43 -2.410 -0.252 7.888 418 QG1 VAL 43 QG1 VAL 43 -1.849 2.510 6.845 419 QG2 VAL 43 QG2 VAL 43 -2.522 -0.527 6.917 420 QQG VAL 43 QQG VAL 43 -2.185 0.992 6.881 421 H THR 44 HN THR 44 -6.211 1.966 8.980 422 HA THR 44 HA THR 44 -4.328 2.017 11.284 423 HB THR 44 HB THR 44 -6.325 3.148 12.427 424 HG1 THR 44 1HG THR 44 -8.125 3.092 11.331 425 1HG2 THR 44 3HG THR 44 -5.551 4.353 9.728 426 2HG2 THR 44 1HG THR 44 -6.194 5.237 11.107 427 3HG2 THR 44 2HG THR 44 -4.584 4.528 11.186 428 QG2 THR 44 QG2 THR 44 -5.443 4.707 10.673 429 H GLN 45 HN GLN 45 -7.721 0.993 10.790 430 HA GLN 45 HA GLN 45 -7.166 -1.279 12.657 431 1HB GLN 45 2HB GLN 45 -9.824 -0.336 11.511 432 2HB GLN 45 3HB GLN 45 -9.620 -1.610 12.700 433 1HG GLN 45 2HG GLN 45 -10.094 0.212 14.093 434 2HG GLN 45 3HG GLN 45 -8.334 0.267 14.065 435 1HE2 GLN 45 2HE GLN 45 -10.316 2.983 11.704 436 2HE2 GLN 45 1HE GLN 45 -10.983 1.439 11.917 437 QB GLN 45 QB GLN 45 -9.721 -0.973 12.106 438 QG GLN 45 QG GLN 45 -9.214 0.240 14.079 439 QE2 GLN 45 QE2 GLN 45 -10.650 2.211 11.810 440 H ILE 46 HN ILE 46 -5.819 -1.711 10.523 441 HA ILE 46 HA ILE 46 -7.486 -3.441 8.731 442 HB ILE 46 HB ILE 46 -4.779 -2.197 8.319 443 1HG1 ILE 46 2HG ILE 46 -6.310 -0.480 8.103 444 2HG1 ILE 46 3HG ILE 46 -5.919 -0.976 6.456 445 1HG2 ILE 46 3HG ILE 46 -6.357 -3.922 6.420 446 2HG2 ILE 46 1HG ILE 46 -4.888 -3.051 5.997 447 3HG2 ILE 46 2HG ILE 46 -4.827 -4.352 7.177 448 1HD1 ILE 46 3HD ILE 46 -7.908 -2.449 6.499 449 2HD1 ILE 46 1HD ILE 46 -8.327 -1.771 8.070 450 3HD1 ILE 46 2HD ILE 46 -8.287 -0.733 6.649 451 QG1 ILE 46 QG1 ILE 46 -6.114 -0.728 7.279 452 QG2 ILE 46 QG2 ILE 46 -5.357 -3.775 6.531 453 QD1 ILE 46 QD1 ILE 46 -8.175 -1.651 7.072 454 H LYS 47 HN LYS 47 -6.994 -5.547 8.487 455 HA LYS 47 HA LYS 47 -4.704 -6.656 10.031 456 1HB LYS 47 2HB LYS 47 -7.629 -7.375 10.199 457 2HB LYS 47 3HB LYS 47 -6.428 -8.596 10.555 458 1HG LYS 47 2HG LYS 47 -6.513 -5.866 11.903 459 2HG LYS 47 3HG LYS 47 -7.263 -7.299 12.580 460 1HD LYS 47 2HD LYS 47 -5.276 -7.693 13.603 461 2HD LYS 47 3HD LYS 47 -4.673 -8.177 12.030 462 1HE LYS 47 2HE LYS 47 -3.965 -5.818 11.602 463 2HE LYS 47 3HE LYS 47 -4.531 -5.369 13.198 464 1HZ LYS 47 1HZ LYS 47 -2.807 -7.592 13.416 465 2HZ LYS 47 2HZ LYS 47 -2.056 -6.436 12.437 466 3HZ LYS 47 3HZ LYS 47 -2.574 -6.013 14.008 467 QB LYS 47 QB LYS 47 -7.028 -7.986 10.378 468 QG LYS 47 QG LYS 47 -6.888 -6.582 12.242 469 QD LYS 47 QD LYS 47 -4.975 -7.935 12.817 470 QE LYS 47 QE LYS 47 -4.248 -5.594 12.400 471 QZ LYS 47 QZ LYS 47 -2.479 -6.681 13.287 472 HA PRO 48 HA PRO 48 -3.902 -9.399 6.641 473 1HB PRO 48 2HB PRO 48 -4.574 -11.755 8.363 474 2HB PRO 48 3HB PRO 48 -3.134 -11.440 7.406 475 1HG PRO 48 2HG PRO 48 -3.072 -11.136 10.086 476 2HG PRO 48 3HG PRO 48 -2.190 -10.014 9.036 477 1HD PRO 48 2HD PRO 48 -4.795 -9.608 10.468 478 2HD PRO 48 3HD PRO 48 -3.499 -8.436 10.144 479 QB PRO 48 QB PRO 48 -3.853 -11.598 7.885 480 QG PRO 48 QG PRO 48 -2.631 -10.575 9.561 481 QD PRO 48 QD PRO 48 -4.148 -9.022 10.306 482 H HIS 49 HN HIS 49 -4.900 -10.629 5.027 483 HA HIS 49 HA HIS 49 -6.667 -11.336 3.676 484 1HB HIS 49 2HB HIS 49 -8.159 -11.942 6.223 485 2HB HIS 49 3HB HIS 49 -8.347 -12.709 4.670 486 HD1 HIS 49 HD1 HIS 49 -5.506 -13.376 4.025 487 HD2 HIS 49 HD2 HIS 49 -7.058 -14.017 7.790 488 HE1 HIS 49 HE1 HIS 49 -4.063 -15.132 5.111 489 QB HIS 49 QB HIS 49 -8.252 -12.326 5.447 490 H SER 50 HN SER 50 -6.504 -8.717 4.046 491 HA SER 50 HA SER 50 -9.309 -7.732 4.455 492 1HB SER 50 2HB SER 50 -8.032 -5.470 4.664 493 2HB SER 50 3HB SER 50 -7.780 -6.633 5.984 494 HG SER 50 HG SER 50 -5.787 -6.922 5.334 495 QB SER 50 QB SER 50 -7.905 -6.052 5.324 496 H THR 51 HN THR 51 -6.406 -6.959 2.666 497 HA THR 51 HA THR 51 -5.968 -6.834 0.353 498 HB THR 51 HB THR 51 -8.845 -6.661 -0.383 499 HG1 THR 51 1HG THR 51 -9.107 -8.379 0.880 500 1HG2 THR 51 3HG THR 51 -6.959 -6.808 -2.101 501 2HG2 THR 51 1HG THR 51 -6.527 -8.368 -1.404 502 3HG2 THR 51 2HG THR 51 -8.079 -8.163 -2.206 503 QG2 THR 51 QG2 THR 51 -7.188 -7.780 -1.903 504 H VAL 52 HN VAL 52 -5.458 -4.978 -0.659 505 HA VAL 52 HA VAL 52 -7.194 -2.592 -0.134 506 HB VAL 52 HB VAL 52 -4.186 -2.418 -0.158 507 1HG1 VAL 52 2HG VAL 52 -6.363 -0.632 0.989 508 2HG1 VAL 52 3HG VAL 52 -4.633 -0.323 1.100 509 3HG1 VAL 52 1HG VAL 52 -5.429 -0.321 -0.470 510 1HG2 VAL 52 1HG VAL 52 -5.956 -2.851 2.277 511 2HG2 VAL 52 2HG VAL 52 -4.756 -3.976 1.660 512 3HG2 VAL 52 3HG VAL 52 -4.248 -2.435 2.334 513 QG1 VAL 52 QG1 VAL 52 -5.475 -0.425 0.539 514 QG2 VAL 52 QG2 VAL 52 -4.987 -3.087 2.090 515 QQG VAL 52 QQG VAL 52 -5.232 -1.757 1.315 516 H ASP 53 HN ASP 53 -7.619 -1.301 -1.882 517 HA ASP 53 HA ASP 53 -5.929 -1.822 -4.325 518 1HB ASP 53 2HB ASP 53 -8.463 -0.292 -4.667 519 2HB ASP 53 3HB ASP 53 -7.784 -1.558 -5.676 520 QB ASP 53 QB ASP 53 -8.123 -0.925 -5.172 521 H PHE 54 HN PHE 54 -4.986 0.079 -5.338 522 HA PHE 54 HA PHE 54 -5.472 2.641 -3.943 523 1HB PHE 54 2HB PHE 54 -3.057 3.060 -3.630 524 2HB PHE 54 3HB PHE 54 -3.589 1.646 -2.746 525 HD1 PHE 54 2HD PHE 54 -3.387 -0.660 -4.218 526 HD2 PHE 54 1HD PHE 54 -1.006 2.843 -4.683 527 HE1 PHE 54 2HE PHE 54 -1.551 -2.017 -5.103 528 HE2 PHE 54 1HE PHE 54 0.828 1.466 -5.572 529 HZ PHE 54 HZ PHE 54 0.556 -0.961 -5.784 530 QB PHE 54 QB PHE 54 -3.323 2.353 -3.188 531 QR PHE 54 QR PHE 54 -1.279 0.408 -4.894 532 NH1 ARG 55 NH2 ARG 55 -7.759 6.209 -3.967 533 NH2 ARG 55 NH1 ARG 55 -8.916 7.796 -5.130 534 H ARG 55 HN ARG 55 -4.342 4.456 -4.955 535 HA ARG 55 HA ARG 55 -4.311 4.207 -7.936 536 1HB ARG 55 2HB ARG 55 -5.502 6.214 -6.048 537 2HB ARG 55 3HB ARG 55 -4.878 6.809 -7.577 538 1HG ARG 55 2HG ARG 55 -6.382 5.503 -8.848 539 2HG ARG 55 3HG ARG 55 -6.751 4.441 -7.493 540 1HD ARG 55 2HD ARG 55 -7.365 7.394 -7.289 541 2HD ARG 55 3HD ARG 55 -8.466 6.327 -8.159 542 HE ARG 55 HE ARG 55 -8.646 4.975 -6.049 543 1HH1 ARG 55 2HH ARG 55 -7.255 5.346 -3.980 544 2HH1 ARG 55 1HH ARG 55 -7.840 6.726 -3.104 545 1HH2 ARG 55 2HH ARG 55 -9.349 8.079 -5.986 546 2HH2 ARG 55 1HH ARG 55 -8.945 8.407 -4.325 547 QB ARG 55 QB ARG 55 -5.189 6.511 -6.813 548 QG ARG 55 QG ARG 55 -6.567 4.972 -8.171 549 QD ARG 55 QD ARG 55 -7.915 6.860 -7.725 550 QH1 ARG 55 QH2 ARG 55 -7.548 6.036 -3.541 551 QH2 ARG 55 QH1 ARG 55 -9.148 8.242 -5.156 552 H VAL 56 HN VAL 56 -2.412 4.650 -8.839 553 HA VAL 56 HA VAL 56 -0.545 6.459 -7.374 554 HB VAL 56 HB VAL 56 0.274 4.155 -9.172 555 1HG1 VAL 56 2HG VAL 56 1.724 5.749 -7.034 556 2HG1 VAL 56 3HG VAL 56 2.420 4.430 -7.969 557 3HG1 VAL 56 1HG VAL 56 1.936 5.930 -8.767 558 1HG2 VAL 56 3HG VAL 56 -0.070 4.177 -6.151 559 2HG2 VAL 56 1HG VAL 56 -0.983 3.194 -7.295 560 3HG2 VAL 56 2HG VAL 56 0.733 2.901 -7.058 561 QG1 VAL 56 QG1 VAL 56 2.027 5.370 -7.923 562 QG2 VAL 56 QG2 VAL 56 -0.107 3.424 -6.834 563 QQG VAL 56 QQG VAL 56 0.960 4.397 -7.379 564 H LYS 57 HN LYS 57 0.215 8.084 -8.555 565 HA LYS 57 HA LYS 57 -0.321 8.153 -11.484 566 1HB LYS 57 2HB LYS 57 -0.695 10.662 -11.143 567 2HB LYS 57 3HB LYS 57 -1.957 9.624 -10.492 568 1HG LYS 57 2HG LYS 57 -0.684 9.712 -8.262 569 2HG LYS 57 3HG LYS 57 0.292 10.974 -8.992 570 1HD LYS 57 2HD LYS 57 -1.498 12.497 -9.085 571 2HD LYS 57 3HD LYS 57 -2.712 11.227 -8.993 572 1HE LYS 57 2HE LYS 57 -2.414 12.537 -6.834 573 2HE LYS 57 3HE LYS 57 -2.217 10.797 -6.668 574 1HZ LYS 57 2HZ LYS 57 0.273 11.957 -7.340 575 2HZ LYS 57 3HZ LYS 57 -0.383 12.760 -5.971 576 3HZ LYS 57 1HZ LYS 57 -0.147 11.072 -5.967 577 QB LYS 57 QB LYS 57 -1.326 10.143 -10.817 578 QG LYS 57 QG LYS 57 -0.196 10.343 -8.627 579 QD LYS 57 QD LYS 57 -2.105 11.862 -9.039 580 QE LYS 57 QE LYS 57 -2.316 11.667 -6.751 581 QZ LYS 57 QZ LYS 57 -0.086 11.930 -6.426 582 H ALA 58 HN ALA 58 1.167 9.343 -12.674 583 HA ALA 58 HA ALA 58 3.715 9.001 -12.770 584 1HB ALA 58 3HB ALA 58 2.561 11.798 -12.853 585 2HB ALA 58 1HB ALA 58 4.113 11.329 -13.545 586 3HB ALA 58 2HB ALA 58 2.621 10.642 -14.181 587 QB ALA 58 QB ALA 58 3.098 11.257 -13.526 588 H GLU 59 HN GLU 59 3.033 11.912 -10.901 589 HA GLU 59 HA GLU 59 5.530 12.327 -9.803 590 1HB GLU 59 2HB GLU 59 4.177 13.307 -7.762 591 2HB GLU 59 3HB GLU 59 4.088 14.067 -9.340 592 1HG GLU 59 2HG GLU 59 2.102 11.913 -8.677 593 2HG GLU 59 3HG GLU 59 1.872 13.519 -7.994 594 QB GLU 59 QB GLU 59 4.133 13.687 -8.551 595 QG GLU 59 QG GLU 59 1.986 12.716 -8.336 596 H ASP 60 HN ASP 60 3.060 10.212 -8.320 597 HA ASP 60 HA ASP 60 5.061 9.498 -6.256 598 1HB ASP 60 2HB ASP 60 2.994 8.072 -5.424 599 2HB ASP 60 3HB ASP 60 3.035 9.806 -5.156 600 QB ASP 60 QB ASP 60 3.014 8.939 -5.290 601 H ILE 61 HN ILE 61 3.852 8.189 -9.216 602 HA ILE 61 HA ILE 61 3.894 5.448 -8.916 603 HB ILE 61 HB ILE 61 5.132 7.144 -11.087 604 1HG1 ILE 61 2HG ILE 61 2.700 5.330 -10.909 605 2HG1 ILE 61 3HG ILE 61 2.686 7.082 -10.906 606 1HG2 ILE 61 2HG ILE 61 6.420 4.993 -10.980 607 2HG2 ILE 61 3HG ILE 61 4.903 4.111 -11.071 608 3HG2 ILE 61 1HG ILE 61 5.441 5.086 -12.428 609 1HD1 ILE 61 1HD ILE 61 3.733 7.044 -13.192 610 2HD1 ILE 61 2HD ILE 61 3.601 5.291 -13.185 611 3HD1 ILE 61 3HD ILE 61 2.151 6.283 -13.149 612 QG1 ILE 61 QG1 ILE 61 2.693 6.206 -10.907 613 QG2 ILE 61 QG2 ILE 61 5.588 4.730 -11.494 614 QD1 ILE 61 QD1 ILE 61 3.161 6.206 -13.176 615 H LEU 62 HN LEU 62 6.832 7.269 -9.525 616 HA LEU 62 HA LEU 62 8.654 5.168 -9.214 617 1HB LEU 62 2HB LEU 62 8.906 8.113 -8.533 618 2HB LEU 62 3HB LEU 62 10.271 7.016 -8.463 619 HG LEU 62 HG LEU 62 9.868 6.454 -10.895 620 1HD1 LEU 62 3HD LEU 62 7.899 8.772 -10.681 621 2HD1 LEU 62 1HD LEU 62 8.495 8.105 -12.197 622 3HD1 LEU 62 2HD LEU 62 7.520 7.110 -11.134 623 1HD2 LEU 62 2HD LEU 62 11.553 8.115 -10.165 624 2HD2 LEU 62 3HD LEU 62 10.840 8.576 -11.707 625 3HD2 LEU 62 1HD LEU 62 10.332 9.383 -10.226 626 QB LEU 62 QB LEU 62 9.588 7.565 -8.498 627 QD1 LEU 62 QD1 LEU 62 7.972 7.995 -11.337 628 QD2 LEU 62 QD2 LEU 62 10.909 8.691 -10.699 629 QQD LEU 62 QQD LEU 62 9.440 8.343 -11.019 630 H ALA 63 HN ALA 63 7.521 7.358 -6.649 631 HA ALA 63 HA ALA 63 9.105 6.032 -4.629 632 1HB ALA 63 1HB ALA 63 6.637 7.789 -4.352 633 2HB ALA 63 2HB ALA 63 7.691 7.312 -3.021 634 3HB ALA 63 3HB ALA 63 8.315 8.332 -4.315 635 QB ALA 63 QB ALA 63 7.548 7.811 -3.896 636 H VAL 64 HN VAL 64 5.753 5.683 -5.630 637 HA VAL 64 HA VAL 64 5.050 3.862 -3.513 638 HB VAL 64 HB VAL 64 3.834 4.244 -6.283 639 1HG1 VAL 64 1HG VAL 64 2.673 3.091 -3.711 640 2HG1 VAL 64 2HG VAL 64 1.772 3.375 -5.197 641 3HG1 VAL 64 3HG VAL 64 3.060 2.173 -5.165 642 1HG2 VAL 64 1HG VAL 64 4.054 6.304 -4.819 643 2HG2 VAL 64 2HG VAL 64 2.403 5.879 -5.205 644 3HG2 VAL 64 3HG VAL 64 3.065 5.491 -3.622 645 QG1 VAL 64 QG1 VAL 64 2.502 2.880 -4.691 646 QG2 VAL 64 QG2 VAL 64 3.174 5.891 -4.549 647 QQG VAL 64 QQG VAL 64 2.838 4.385 -4.619 648 H GLU 65 HN GLU 65 6.078 3.386 -6.901 649 HA GLU 65 HA GLU 65 5.981 0.499 -6.749 650 1HB GLU 65 2HB GLU 65 7.567 2.366 -8.571 651 2HB GLU 65 3HB GLU 65 7.436 0.629 -8.806 652 1HG GLU 65 2HG GLU 65 4.972 0.820 -9.046 653 2HG GLU 65 3HG GLU 65 5.067 2.553 -8.775 654 QB GLU 65 QB GLU 65 7.501 1.497 -8.689 655 QG GLU 65 QG GLU 65 5.019 1.686 -8.911 656 H ASP 66 HN ASP 66 8.589 2.913 -6.476 657 HA ASP 66 HA ASP 66 10.775 1.329 -5.766 658 1HB ASP 66 2HB ASP 66 11.107 3.695 -5.926 659 2HB ASP 66 3HB ASP 66 9.826 4.034 -4.780 660 QB ASP 66 QB ASP 66 10.466 3.865 -5.353 661 H PHE 67 HN PHE 67 8.726 2.927 -3.422 662 HA PHE 67 HA PHE 67 9.391 1.629 -1.092 663 1HB PHE 67 2HB PHE 67 7.724 3.520 -1.329 664 2HB PHE 67 3HB PHE 67 6.542 2.342 -1.872 665 HD1 PHE 67 1HD PHE 67 5.770 0.544 -0.344 666 HD2 PHE 67 2HD PHE 67 8.342 3.638 1.053 667 HE1 PHE 67 1HE PHE 67 5.355 -0.141 1.968 668 HE2 PHE 67 2HE PHE 67 7.917 2.929 3.370 669 HZ PHE 67 HZ PHE 67 6.475 0.971 3.821 670 QB PHE 67 QB PHE 67 7.133 2.931 -1.601 671 QR PHE 67 QR PHE 67 6.846 1.742 1.512 672 H LEU 68 HN LEU 68 6.600 0.636 -3.092 673 HA LEU 68 HA LEU 68 6.058 -1.796 -1.756 674 1HB LEU 68 2HB LEU 68 5.754 -1.116 -4.703 675 2HB LEU 68 3HB LEU 68 5.094 -2.573 -3.973 676 HG LEU 68 HG LEU 68 4.407 0.205 -2.940 677 1HD1 LEU 68 1HD LEU 68 3.733 -0.032 -5.333 678 2HD1 LEU 68 2HD LEU 68 2.883 -1.521 -4.932 679 3HD1 LEU 68 3HD LEU 68 2.333 0.013 -4.263 680 1HD2 LEU 68 1HD LEU 68 3.981 -1.758 -1.436 681 2HD2 LEU 68 2HD LEU 68 2.489 -0.994 -1.955 682 3HD2 LEU 68 3HD LEU 68 3.015 -2.498 -2.704 683 QB LEU 68 QB LEU 68 5.424 -1.845 -4.338 684 QD1 LEU 68 QD1 LEU 68 2.983 -0.514 -4.843 685 QD2 LEU 68 QD2 LEU 68 3.162 -1.750 -2.032 686 QQD LEU 68 QQD LEU 68 3.072 -1.132 -3.437 687 H GLU 69 HN GLU 69 8.573 -1.034 -4.015 688 HA GLU 69 HA GLU 69 9.259 -3.860 -4.495 689 1HB GLU 69 2HB GLU 69 9.385 -2.004 -6.244 690 2HB GLU 69 3HB GLU 69 10.767 -1.375 -5.370 691 1HG GLU 69 2HG GLU 69 11.880 -3.629 -5.640 692 2HG GLU 69 3HG GLU 69 10.539 -4.108 -6.674 693 QB GLU 69 QB GLU 69 10.076 -1.690 -5.807 694 QG GLU 69 QG GLU 69 11.210 -3.868 -6.157 695 H GLN 70 HN GLN 70 11.322 -1.100 -3.492 696 HA GLN 70 HA GLN 70 13.358 -2.694 -2.407 697 1HB GLN 70 2HB GLN 70 14.065 -0.701 -1.076 698 2HB GLN 70 3HB GLN 70 13.822 -0.366 -2.782 699 1HG GLN 70 2HG GLN 70 11.898 0.901 -2.394 700 2HG GLN 70 3HG GLN 70 11.549 0.109 -0.857 701 1HE2 GLN 70 2HE GLN 70 13.772 3.449 -0.859 702 2HE2 GLN 70 1HE GLN 70 12.920 2.915 -2.223 703 QB GLN 70 QB GLN 70 13.944 -0.533 -1.929 704 QG GLN 70 QG GLN 70 11.724 0.505 -1.625 705 QE2 GLN 70 QE2 GLN 70 13.346 3.182 -1.540 706 H ASN 71 HN ASN 71 10.257 -2.000 -0.949 707 HA ASN 71 HA ASN 71 11.288 -3.056 1.649 708 1HB ASN 71 2HB ASN 71 8.577 -1.900 0.933 709 2HB ASN 71 3HB ASN 71 9.106 -2.357 2.542 710 1HD2 ASN 71 2HD ASN 71 9.712 1.320 1.760 711 2HD2 ASN 71 1HD ASN 71 8.357 0.344 1.497 712 QB ASN 71 QB ASN 71 8.842 -2.128 1.737 713 QD2 ASN 71 QD2 ASN 71 9.034 0.832 1.628 714 H GLU 72 HN GLU 72 10.665 -4.486 -0.953 715 HA GLU 72 HA GLU 72 9.519 -6.367 -1.742 716 1HB GLU 72 2HB GLU 72 10.796 -7.036 0.895 717 2HB GLU 72 3HB GLU 72 9.911 -8.286 0.030 718 1HG GLU 72 2HG GLU 72 12.046 -6.602 -1.316 719 2HG GLU 72 3HG GLU 72 12.412 -8.124 -0.509 720 QB GLU 72 QB GLU 72 10.353 -7.661 0.463 721 QG GLU 72 QG GLU 72 12.230 -7.363 -0.912 722 H LEU 73 HN LEU 73 7.451 -4.986 -1.308 723 HA LEU 73 HA LEU 73 5.714 -6.268 0.735 724 1HB LEU 73 2HB LEU 73 5.569 -3.815 -0.986 725 2HB LEU 73 3HB LEU 73 4.043 -4.580 -0.577 726 HG LEU 73 HG LEU 73 4.473 -4.353 1.795 727 1HD1 LEU 73 1HD LEU 73 7.214 -3.410 0.918 728 2HD1 LEU 73 2HD LEU 73 6.617 -3.264 2.555 729 3HD1 LEU 73 3HD LEU 73 6.844 -4.853 1.851 730 1HD2 LEU 73 1HD LEU 73 3.657 -2.304 0.632 731 2HD2 LEU 73 2HD LEU 73 4.652 -1.918 2.026 732 3HD2 LEU 73 3HD LEU 73 5.328 -1.784 0.408 733 QB LEU 73 QB LEU 73 4.807 -4.197 -0.781 734 QD1 LEU 73 QD1 LEU 73 6.891 -3.842 1.775 735 QD2 LEU 73 QD2 LEU 73 4.545 -2.001 1.022 736 QQD LEU 73 QQD LEU 73 5.719 -2.922 1.398 737 H GLN 74 HN GLN 74 3.494 -6.930 -0.103 738 HA GLN 74 HA GLN 74 3.954 -8.439 -2.645 739 1HB GLN 74 2HB GLN 74 2.325 -8.987 -0.165 740 2HB GLN 74 3HB GLN 74 1.973 -9.826 -1.674 741 1HG GLN 74 2HG GLN 74 3.569 -11.139 -0.310 742 2HG GLN 74 3HG GLN 74 4.338 -10.600 -1.795 743 1HE2 GLN 74 2HE GLN 74 6.882 -8.910 -0.043 744 2HE2 GLN 74 1HE GLN 74 6.340 -9.580 -1.509 745 QB GLN 74 QB GLN 74 2.149 -9.407 -0.919 746 QG GLN 74 QG GLN 74 3.953 -10.870 -1.052 747 QE2 GLN 74 QE2 GLN 74 6.612 -9.246 -0.776 748 OH TYR 75 OH TYR 75 7.270 -5.771 -6.849 749 H TYR 75 HN TYR 75 3.315 -6.946 -4.128 750 HA TYR 75 HA TYR 75 0.491 -5.951 -3.984 751 1HB TYR 75 2HB TYR 75 1.354 -4.363 -5.834 752 2HB TYR 75 3HB TYR 75 1.962 -4.075 -4.208 753 HD1 TYR 75 HD1 TYR 75 4.259 -4.935 -3.582 754 HD2 TYR 75 HD2 TYR 75 2.856 -5.101 -7.600 755 HE1 TYR 75 HE1 TYR 75 6.527 -5.410 -4.344 756 HE2 TYR 75 HE2 TYR 75 5.155 -5.498 -8.372 757 HH TYR 75 HH TYR 75 7.870 -5.724 -6.090 758 QB TYR 75 QB TYR 75 1.657 -4.219 -5.021 759 QR TYR 75 QR TYR 75 4.700 -5.236 -5.975 760 H GLU 76 HN GLU 76 -0.734 -5.984 -6.017 761 HA GLU 76 HA GLU 76 0.219 -8.098 -7.925 762 1HB GLU 76 2HB GLU 76 -1.473 -9.170 -6.602 763 2HB GLU 76 3HB GLU 76 -2.517 -7.761 -6.656 764 1HG GLU 76 2HG GLU 76 -3.354 -9.528 -8.176 765 2HG GLU 76 3HG GLU 76 -2.868 -8.121 -9.101 766 QB GLU 76 QB GLU 76 -1.995 -8.466 -6.629 767 QG GLU 76 QG GLU 76 -3.111 -8.824 -8.639 768 H VAL 77 HN VAL 77 -0.470 -7.896 -10.044 769 HA VAL 77 HA VAL 77 -1.769 -5.339 -10.848 770 HB VAL 77 HB VAL 77 0.602 -6.504 -12.344 771 1HG1 VAL 77 1HG VAL 77 -0.884 -4.921 -13.552 772 2HG1 VAL 77 2HG VAL 77 -0.648 -3.723 -12.283 773 3HG1 VAL 77 3HG VAL 77 0.707 -4.219 -13.293 774 1HG2 VAL 77 2HG VAL 77 0.635 -4.403 -10.148 775 2HG2 VAL 77 3HG VAL 77 1.402 -5.983 -10.092 776 3HG2 VAL 77 1HG VAL 77 1.996 -4.764 -11.208 777 QG1 VAL 77 QG1 VAL 77 -0.275 -4.288 -13.043 778 QG2 VAL 77 QG2 VAL 77 1.345 -5.050 -10.483 779 QQG VAL 77 QQG VAL 77 0.534 -4.668 -11.763 780 H LEU 78 HN LEU 78 -3.382 -7.164 -10.726 781 HA LEU 78 HA LEU 78 -3.490 -9.313 -12.518 782 1HB LEU 78 2HB LEU 78 -5.908 -9.329 -12.039 783 2HB LEU 78 3HB LEU 78 -4.958 -9.112 -10.583 784 HG LEU 78 HG LEU 78 -6.309 -6.827 -12.084 785 1HD1 LEU 78 1HD LEU 78 -7.184 -8.320 -9.592 786 2HD1 LEU 78 2HD LEU 78 -7.971 -6.887 -10.253 787 3HD1 LEU 78 3HD LEU 78 -7.966 -8.390 -11.170 788 1HD2 LEU 78 2HD LEU 78 -4.955 -6.950 -9.370 789 2HD2 LEU 78 3HD LEU 78 -4.504 -5.940 -10.747 790 3HD2 LEU 78 1HD LEU 78 -5.992 -5.626 -9.888 791 QB LEU 78 QB LEU 78 -5.432 -9.220 -11.311 792 QD1 LEU 78 QD1 LEU 78 -7.707 -7.865 -10.338 793 QD2 LEU 78 QD2 LEU 78 -5.150 -6.172 -10.002 794 QQD LEU 78 QQD LEU 78 -6.429 -7.019 -10.170 795 H ILE 79 HN ILE 79 -2.538 -8.017 -14.354 796 HA ILE 79 HA ILE 79 -3.229 -6.198 -16.073 797 HB ILE 79 HB ILE 79 -3.208 -9.028 -17.143 798 1HG1 ILE 79 2HG ILE 79 -1.454 -8.941 -15.431 799 2HG1 ILE 79 3HG ILE 79 -0.727 -8.933 -17.027 800 1HG2 ILE 79 2HG ILE 79 -2.073 -6.405 -18.179 801 2HG2 ILE 79 3HG ILE 79 -1.878 -7.968 -18.966 802 3HG2 ILE 79 1HG ILE 79 -3.479 -7.253 -18.811 803 1HD1 ILE 79 1HD ILE 79 -1.180 -6.458 -15.318 804 2HD1 ILE 79 2HD ILE 79 0.359 -7.272 -15.552 805 3HD1 ILE 79 3HD ILE 79 -0.426 -6.480 -16.909 806 QG1 ILE 79 QG1 ILE 79 -1.091 -8.937 -16.229 807 QG2 ILE 79 QG2 ILE 79 -2.477 -7.208 -18.652 808 QD1 ILE 79 QD1 ILE 79 -0.415 -6.737 -15.926 809 H ASN 80 HN ASN 80 -5.554 -5.814 -15.264 810 HA ASN 80 HA ASN 80 -7.434 -6.816 -17.367 811 1HB ASN 80 2HB ASN 80 -7.921 -6.478 -14.389 812 2HB ASN 80 3HB ASN 80 -9.232 -6.629 -15.547 813 1HD2 ASN 80 2HD ASN 80 -7.359 -10.026 -16.178 814 2HD2 ASN 80 1HD ASN 80 -7.017 -8.564 -16.964 815 QB ASN 80 QB ASN 80 -8.576 -6.554 -14.968 816 QD2 ASN 80 QD2 ASN 80 -7.188 -9.295 -16.571 817 H ASN 81 HN ASN 81 -5.926 -4.445 -17.480 818 HA ASN 81 HA ASN 81 -8.121 -2.430 -17.374 819 1HB ASN 81 2HB ASN 81 -6.401 -2.121 -15.501 820 2HB ASN 81 3HB ASN 81 -5.215 -1.797 -16.758 821 1HD2 ASN 81 ASN 81 -7.675 1.089 -17.629 822 2HD2 ASN 81 1HD ASN 81 -7.597 -0.447 -18.348 823 QB ASN 81 QB ASN 81 -5.809 -1.959 -16.129 824 QD2 ASN 81 QD2 ASN 81 -7.635 0.321 -17.988 Start of MODEL 10 Raw file had 824 H/Q atoms Start of MODEL 10 1 1H HIS 1 HN2 HIS 1 6.115 1.962 -14.794 2 2H HIS 1 HN3 HIS 1 5.071 1.088 -13.853 3 3H HIS 1 HN1 HIS 1 5.850 2.405 -13.221 4 HA HIS 1 HA HIS 1 7.473 1.157 -12.518 5 1HB HIS 1 2HB HIS 1 5.794 -0.617 -12.369 6 2HB HIS 1 3HB HIS 1 6.039 -1.028 -14.043 7 HD1 HIS 1 HD1 HIS 1 7.929 -1.013 -10.805 8 HD2 HIS 1 HD2 HIS 1 8.044 -2.953 -14.467 9 HE1 HIS 1 HE1 HIS 1 9.707 -2.804 -10.641 10 QB HIS 1 QB HIS 1 5.917 -0.822 -13.206 11 H HIS 2 HN HIS 2 6.951 0.112 -15.917 12 HA HIS 2 HA HIS 2 9.860 0.674 -16.311 13 1HB HIS 2 2HB HIS 2 10.265 -1.386 -17.404 14 2HB HIS 2 3HB HIS 2 9.481 -1.766 -15.899 15 HD1 HIS 2 HD1 HIS 2 6.565 -1.401 -16.790 16 HD2 HIS 2 HD2 HIS 2 9.326 -3.445 -19.057 17 HE1 HIS 2 HE1 HIS 2 5.275 -3.016 -18.200 18 QB HIS 2 QB HIS 2 9.874 -1.575 -16.651 19 H SER 3 HN SER 3 7.685 2.272 -17.067 20 HA SER 3 HA SER 3 6.639 3.262 -18.953 21 1HB SER 3 2HB SER 3 9.434 2.748 -20.060 22 2HB SER 3 3HB SER 3 8.313 4.021 -20.581 23 HG SER 3 HG SER 3 8.580 3.945 -17.867 24 QB SER 3 QB SER 3 8.873 3.385 -20.321 25 H GLY 4 HN GLY 4 6.164 0.543 -18.728 26 1HA GLY 4 1HA GLY 4 5.985 -0.305 -21.592 27 2HA GLY 4 2HA GLY 4 6.287 -1.449 -20.293 28 QA GLY 4 QA GLY 4 6.136 -0.877 -20.942 29 H GLU 5 HN GLU 5 4.414 -0.182 -18.434 30 HA GLU 5 HA GLU 5 2.003 -1.543 -19.304 31 1HB GLU 5 2HB GLU 5 1.912 0.402 -17.024 32 2HB GLU 5 3HB GLU 5 1.179 -1.183 -17.159 33 1HG GLU 5 2HG GLU 5 2.887 -1.755 -15.725 34 2HG GLU 5 3HG GLU 5 3.797 -1.907 -17.223 35 QB GLU 5 QB GLU 5 1.545 -0.390 -17.092 36 QG GLU 5 QG GLU 5 3.342 -1.831 -16.473 37 H HIS 6 HN HIS 6 2.021 -0.157 -21.315 38 HA HIS 6 HA HIS 6 0.827 1.322 -22.655 39 1HB HIS 6 2HB HIS 6 -1.077 0.631 -21.219 40 2HB HIS 6 3HB HIS 6 -0.707 1.921 -20.112 41 HD1 HIS 6 HD1 HIS 6 -3.366 2.079 -21.143 42 HD2 HIS 6 HD2 HIS 6 -0.301 3.722 -23.353 43 HE1 HIS 6 HE1 HIS 6 -4.396 3.846 -22.601 44 QB HIS 6 QB HIS 6 -0.891 1.276 -20.665 45 H PHE 7 HN PHE 7 0.795 3.144 -19.574 46 HA PHE 7 HA PHE 7 2.782 5.019 -20.749 47 1HB PHE 7 2HB PHE 7 1.387 6.988 -20.154 48 2HB PHE 7 3HB PHE 7 0.552 5.974 -21.322 49 HD1 PHE 7 1HD PHE 7 -1.048 4.120 -20.241 50 HD2 PHE 7 2HD PHE 7 0.204 7.653 -18.239 51 HE1 PHE 7 1HE PHE 7 -2.898 3.863 -18.650 52 HE2 PHE 7 2HE PHE 7 -1.674 7.425 -16.678 53 HZ PHE 7 HZ PHE 7 -3.202 5.506 -16.840 54 QB PHE 7 QB PHE 7 0.969 6.480 -20.738 55 QR PHE 7 QR PHE 7 -1.354 5.765 -18.452 56 H GLU 8 HN GLU 8 3.890 6.281 -19.069 57 HA GLU 8 HA GLU 8 3.772 4.853 -16.486 58 1HB GLU 8 2HB GLU 8 5.977 5.496 -17.766 59 2HB GLU 8 3HB GLU 8 5.707 7.090 -17.078 60 1HG GLU 8 2HG GLU 8 7.184 5.791 -15.600 61 2HG GLU 8 3HG GLU 8 5.648 6.073 -14.788 62 QB GLU 8 QB GLU 8 5.842 6.293 -17.423 63 QG GLU 8 QG GLU 8 6.416 5.932 -15.193 64 H GLY 9 HN GLY 9 1.543 6.079 -16.785 65 1HA GLY 9 1HA GLY 9 1.717 8.504 -15.023 66 2HA GLY 9 2HA GLY 9 0.536 8.389 -16.328 67 QA GLY 9 QA GLY 9 1.127 8.446 -15.675 68 H GLU 10 HN GLU 10 -0.805 8.809 -14.329 69 HA GLU 10 HA GLU 10 -1.502 7.597 -12.145 70 1HB GLU 10 2HB GLU 10 -3.427 7.733 -14.475 71 2HB GLU 10 3HB GLU 10 -3.903 7.522 -12.800 72 1HG GLU 10 2HG GLU 10 -2.241 9.728 -12.624 73 2HG GLU 10 3HG GLU 10 -3.002 9.970 -14.195 74 QB GLU 10 QB GLU 10 -3.665 7.628 -13.637 75 QG GLU 10 QG GLU 10 -2.622 9.849 -13.409 76 H LYS 11 HN LYS 11 -1.136 5.660 -11.355 77 HA LYS 11 HA LYS 11 -2.049 3.243 -12.903 78 1HB LYS 11 2HB LYS 11 0.035 3.145 -10.695 79 2HB LYS 11 3HB LYS 11 -0.319 1.937 -11.908 80 1HG LYS 11 2HG LYS 11 0.673 4.627 -12.770 81 2HG LYS 11 3HG LYS 11 1.806 3.434 -12.164 82 1HD LYS 11 2HD LYS 11 1.155 1.834 -13.857 83 2HD LYS 11 3HD LYS 11 -0.173 2.864 -14.389 84 1HE LYS 11 2HE LYS 11 1.200 4.304 -15.510 85 2HE LYS 11 3HE LYS 11 2.527 4.110 -14.370 86 1HZ LYS 11 3HZ LYS 11 2.204 1.658 -15.597 87 2HZ LYS 11 1HZ LYS 11 2.096 2.822 -16.848 88 3HZ LYS 11 2HZ LYS 11 3.463 2.764 -15.819 89 QB LYS 11 QB LYS 11 -0.143 2.541 -11.302 90 QG LYS 11 QG LYS 11 1.239 4.031 -12.467 91 QD LYS 11 QD LYS 11 0.491 2.349 -14.122 92 QE LYS 11 QE LYS 11 1.863 4.207 -14.940 93 QZ LYS 11 QZ LYS 11 2.588 2.414 -16.088 94 H VAL 12 HN VAL 12 -2.727 1.464 -11.437 95 HA VAL 12 HA VAL 12 -4.168 2.542 -9.057 96 HB VAL 12 HB VAL 12 -4.657 -0.016 -10.601 97 1HG1 VAL 12 3HG VAL 12 -5.465 -0.007 -8.221 98 2HG1 VAL 12 1HG VAL 12 -6.352 1.473 -8.550 99 3HG1 VAL 12 2HG VAL 12 -6.801 -0.023 -9.365 100 1HG2 VAL 12 1HG VAL 12 -6.095 2.666 -10.687 101 2HG2 VAL 12 2HG VAL 12 -5.093 2.008 -11.977 102 3HG2 VAL 12 3HG VAL 12 -6.602 1.210 -11.542 103 QG1 VAL 12 QG1 VAL 12 -6.207 0.480 -8.712 104 QG2 VAL 12 QG2 VAL 12 -5.930 1.962 -11.402 105 QQG VAL 12 QQG VAL 12 -6.069 1.221 -10.057 106 H PHE 13 HN PHE 13 -3.867 -0.689 -9.197 107 HA PHE 13 HA PHE 13 -2.019 -2.183 -8.506 108 1HB PHE 13 2HB PHE 13 -1.284 0.034 -6.561 109 2HB PHE 13 3HB PHE 13 -0.494 -1.520 -6.692 110 HD1 PHE 13 1HD PHE 13 -0.954 -1.084 -10.016 111 HD2 PHE 13 2HD PHE 13 1.106 0.837 -6.826 112 HE1 PHE 13 1HE PHE 13 0.684 -0.157 -11.605 113 HE2 PHE 13 2HE PHE 13 2.727 1.739 -8.400 114 HZ PHE 13 HZ PHE 13 2.543 1.256 -10.786 115 QB PHE 13 QB PHE 13 -0.889 -0.743 -6.626 116 QR PHE 13 QR PHE 13 0.891 0.334 -9.212 117 NH1 ARG 14 NH1 ARG 14 -4.079 -5.149 -9.304 118 NH2 ARG 14 NH2 ARG 14 -6.200 -5.435 -10.005 119 H ARG 14 HN ARG 14 -2.120 -3.670 -6.924 120 HA ARG 14 HA ARG 14 -4.133 -3.234 -4.767 121 1HB ARG 14 2HB ARG 14 -3.615 -5.605 -6.571 122 2HB ARG 14 3HB ARG 14 -4.416 -5.803 -5.027 123 1HG ARG 14 2HG ARG 14 -6.139 -4.157 -5.701 124 2HG ARG 14 3HG ARG 14 -5.341 -3.942 -7.249 125 1HD ARG 14 2HD ARG 14 -6.391 -6.608 -6.215 126 2HD ARG 14 3HD ARG 14 -7.276 -5.561 -7.329 127 HE ARG 14 HE ARG 14 -5.209 -7.361 -8.115 128 1HH1 ARG 14 2HH ARG 14 -3.365 -5.316 -8.621 129 2HH1 ARG 14 1HH ARG 14 -3.892 -4.541 -10.096 130 1HH2 ARG 14 2HH ARG 14 -7.125 -5.761 -9.823 131 2HH2 ARG 14 1HH ARG 14 -6.003 -4.909 -10.838 132 QB ARG 14 QB ARG 14 -4.015 -5.704 -5.799 133 QG ARG 14 QG ARG 14 -5.740 -4.049 -6.475 134 QD ARG 14 QD ARG 14 -6.834 -6.085 -6.772 135 QH1 ARG 14 QH1 ARG 14 -3.629 -4.928 -9.358 136 QH2 ARG 14 QH2 ARG 14 -6.564 -5.335 -10.331 137 H VAL 15 HN VAL 15 -3.733 -4.387 -2.826 138 HA VAL 15 HA VAL 15 -0.987 -5.525 -2.505 139 HB VAL 15 HB VAL 15 -2.255 -3.679 -0.455 140 1HG1 VAL 15 1HG VAL 15 0.589 -4.630 -0.930 141 2HG1 VAL 15 2HG VAL 15 0.112 -3.475 0.311 142 3HG1 VAL 15 3HG VAL 15 -0.472 -5.136 0.381 143 1HG2 VAL 15 1HG VAL 15 -0.296 -2.952 -2.658 144 2HG2 VAL 15 2HG VAL 15 -1.963 -2.395 -2.524 145 3HG2 VAL 15 3HG VAL 15 -0.773 -1.890 -1.332 146 QG1 VAL 15 QG1 VAL 15 0.076 -4.414 -0.080 147 QG2 VAL 15 QG2 VAL 15 -1.011 -2.413 -2.171 148 QQG VAL 15 QQG VAL 15 -0.467 -3.413 -1.126 149 H ASN 16 HN ASN 16 -1.694 -7.612 -2.310 150 HA ASN 16 HA ASN 16 -3.977 -8.317 -0.638 151 1HB ASN 16 2HB ASN 16 -1.905 -9.831 -2.179 152 2HB ASN 16 3HB ASN 16 -2.801 -10.693 -0.939 153 1HD2 ASN 16 2HD ASN 16 -4.897 -9.250 -4.156 154 2HD2 ASN 16 1HD ASN 16 -3.418 -8.531 -3.759 155 QB ASN 16 QB ASN 16 -2.353 -10.261 -1.559 156 QD2 ASN 16 QD2 ASN 16 -4.158 -8.891 -3.957 157 H VAL 17 HN VAL 17 -2.979 -6.996 1.237 158 HA VAL 17 HA VAL 17 -0.834 -7.614 2.872 159 HB VAL 17 HB VAL 17 -3.666 -7.413 3.988 160 1HG1 VAL 17 2HG VAL 17 -1.755 -7.847 5.597 161 2HG1 VAL 17 3HG VAL 17 -1.055 -6.318 5.080 162 3HG1 VAL 17 1HG VAL 17 -2.610 -6.337 5.877 163 1HG2 VAL 17 3HG VAL 17 -1.828 -5.173 3.046 164 2HG2 VAL 17 1HG VAL 17 -3.356 -5.626 2.299 165 3HG2 VAL 17 2HG VAL 17 -3.338 -4.944 3.919 166 QG1 VAL 17 QG1 VAL 17 -1.806 -6.834 5.518 167 QG2 VAL 17 QG2 VAL 17 -2.840 -5.248 3.088 168 QQG VAL 17 QQG VAL 17 -2.323 -6.041 4.303 169 H GLU 18 HN GLU 18 0.000 -9.423 3.650 170 HA GLU 18 HA GLU 18 -1.656 -11.883 3.667 171 1HB GLU 18 2HB GLU 18 0.767 -11.504 2.602 172 2HB GLU 18 3HB GLU 18 1.302 -11.862 4.227 173 1HG GLU 18 2HG GLU 18 1.289 -13.964 3.105 174 2HG GLU 18 3HG GLU 18 -0.163 -13.967 4.102 175 QB GLU 18 QB GLU 18 1.035 -11.683 3.415 176 QG GLU 18 QG GLU 18 0.563 -13.965 3.604 177 H ASP 19 HN ASP 19 0.848 -10.352 5.721 178 HA ASP 19 HA ASP 19 -0.649 -11.546 8.062 179 1HB ASP 19 2HB ASP 19 1.339 -12.174 9.218 180 2HB ASP 19 3HB ASP 19 1.579 -12.732 7.579 181 QB ASP 19 QB ASP 19 1.459 -12.453 8.399 182 H GLU 20 HN GLU 20 1.236 -10.315 9.935 183 HA GLU 20 HA GLU 20 -0.115 -7.687 9.937 184 1HB GLU 20 2HB GLU 20 0.348 -9.295 11.964 185 2HB GLU 20 3HB GLU 20 1.951 -8.576 11.950 186 1HG GLU 20 2HG GLU 20 0.689 -7.254 13.454 187 2HG GLU 20 3HG GLU 20 0.762 -6.292 11.988 188 QB GLU 20 QB GLU 20 1.149 -8.935 11.957 189 QG GLU 20 QG GLU 20 0.726 -6.774 12.721 190 H ASN 21 HN ASN 21 2.946 -9.085 9.152 191 HA ASN 21 HA ASN 21 4.672 -6.817 9.291 192 1HB ASN 21 2HB ASN 21 5.341 -9.223 8.668 193 2HB ASN 21 3HB ASN 21 4.734 -8.881 7.056 194 1HD2 ASN 21 2HD ASN 21 7.424 -6.616 6.275 195 2HD2 ASN 21 1HD ASN 21 5.822 -7.031 5.878 196 QB ASN 21 QB ASN 21 5.038 -9.052 7.863 197 QD2 ASN 21 QD2 ASN 21 6.623 -6.824 6.076 198 H ASP 22 HN ASP 22 2.747 -8.067 6.587 199 HA ASP 22 HA ASP 22 3.124 -6.100 4.680 200 1HB ASP 22 2HB ASP 22 0.708 -7.713 5.492 201 2HB ASP 22 3HB ASP 22 0.577 -6.551 4.189 202 QB ASP 22 QB ASP 22 0.643 -7.132 4.841 203 H ILE 23 HN ILE 23 0.835 -5.903 7.437 204 HA ILE 23 HA ILE 23 -0.010 -3.207 6.731 205 HB ILE 23 HB ILE 23 -0.075 -4.670 9.416 206 1HG1 ILE 23 2HG ILE 23 -2.651 -4.229 8.742 207 2HG1 ILE 23 3HG ILE 23 -1.945 -4.289 7.125 208 1HG2 ILE 23 3HG ILE 23 -1.282 -1.971 8.704 209 2HG2 ILE 23 1HG ILE 23 -1.543 -2.845 10.210 210 3HG2 ILE 23 2HG ILE 23 0.060 -2.231 9.817 211 1HD1 ILE 23 1HD ILE 23 -1.507 -6.338 9.281 212 2HD1 ILE 23 2HD ILE 23 -2.584 -6.517 7.917 213 3HD1 ILE 23 3HD ILE 23 -0.864 -6.399 7.650 214 QG1 ILE 23 QG1 ILE 23 -2.298 -4.259 7.933 215 QG2 ILE 23 QG2 ILE 23 -0.922 -2.349 9.577 216 QD1 ILE 23 QD1 ILE 23 -1.652 -6.418 8.283 217 H SER 24 HN SER 24 1.997 -4.337 9.414 218 HA SER 24 HA SER 24 3.185 -2.095 10.327 219 1HB SER 24 2HB SER 24 4.758 -4.582 9.534 220 2HB SER 24 3HB SER 24 5.184 -3.436 10.821 221 HG SER 24 HG SER 24 3.186 -5.377 10.743 222 QB SER 24 QB SER 24 4.972 -4.010 10.177 223 H GLU 25 HN GLU 25 3.993 -3.551 7.217 224 HA GLU 25 HA GLU 25 5.962 -1.400 6.666 225 1HB GLU 25 2HB GLU 25 5.299 -4.054 5.576 226 2HB GLU 25 3HB GLU 25 5.550 -2.875 4.309 227 1HG GLU 25 2HG GLU 25 7.751 -3.499 4.576 228 2HG GLU 25 3HG GLU 25 7.708 -2.315 5.872 229 QB GLU 25 QB GLU 25 5.424 -3.465 4.943 230 QG GLU 25 QG GLU 25 7.730 -2.907 5.224 231 H LEU 26 HN LEU 26 3.179 -2.680 4.776 232 HA LEU 26 HA LEU 26 2.722 -0.569 3.019 233 1HB LEU 26 2HB LEU 26 1.393 -2.800 3.513 234 2HB LEU 26 3HB LEU 26 0.405 -1.791 4.544 235 HG LEU 26 HG LEU 26 0.857 -1.440 1.563 236 1HD1 LEU 26 3HD LEU 26 -0.682 -3.290 2.274 237 2HD1 LEU 26 1HD LEU 26 -1.644 -2.114 3.159 238 3HD1 LEU 26 2HD LEU 26 -1.526 -2.011 1.408 239 1HD2 LEU 26 3HD LEU 26 -0.775 0.234 3.509 240 2HD2 LEU 26 1HD LEU 26 0.607 0.776 2.560 241 3HD2 LEU 26 2HD LEU 26 -0.894 0.347 1.757 242 QB LEU 26 QB LEU 26 0.900 -2.295 4.029 243 QD1 LEU 26 QD1 LEU 26 -1.284 -2.472 2.280 244 QD2 LEU 26 QD2 LEU 26 -0.354 0.452 2.609 245 QQD LEU 26 QQD LEU 26 -0.819 -1.009 2.444 246 H HIS 27 HN HIS 27 1.380 -0.881 6.220 247 HA HIS 27 HA HIS 27 -0.064 1.391 6.674 248 1HB HIS 27 2HB HIS 27 0.697 -0.541 8.263 249 2HB HIS 27 3HB HIS 27 2.009 0.516 8.677 250 HD1 HIS 27 HD1 HIS 27 0.674 3.101 8.924 251 HD2 HIS 27 HD2 HIS 27 -1.135 -0.323 10.321 252 HE1 HIS 27 HE1 HIS 27 -0.932 3.774 10.751 253 QB HIS 27 QB HIS 27 1.353 -0.012 8.470 254 H GLU 28 HN GLU 28 3.443 1.141 6.945 255 HA GLU 28 HA GLU 28 4.121 3.682 7.910 256 1HB GLU 28 2HB GLU 28 5.636 1.682 7.263 257 2HB GLU 28 3HB GLU 28 5.624 2.333 5.638 258 1HG GLU 28 2HG GLU 28 6.566 3.800 8.140 259 2HG GLU 28 3HG GLU 28 7.607 3.133 6.893 260 QB GLU 28 QB GLU 28 5.630 2.007 6.450 261 QG GLU 28 QG GLU 28 7.087 3.466 7.516 262 H LEU 29 HN LEU 29 3.643 2.719 4.544 263 HA LEU 29 HA LEU 29 4.063 5.033 3.133 264 1HB LEU 29 2HB LEU 29 3.248 2.961 2.095 265 2HB LEU 29 3HB LEU 29 1.688 3.151 2.872 266 HG LEU 29 HG LEU 29 1.206 5.158 1.573 267 1HD1 LEU 29 2HD LEU 29 3.978 4.775 0.376 268 2HD1 LEU 29 3HD LEU 29 2.782 5.939 -0.191 269 3HD1 LEU 29 1HD LEU 29 3.478 6.107 1.413 270 1HD2 LEU 29 2HD LEU 29 2.314 2.900 -0.130 271 2HD2 LEU 29 3HD LEU 29 0.682 3.002 0.519 272 3HD2 LEU 29 1HD LEU 29 1.215 4.141 -0.712 273 QB LEU 29 QB LEU 29 2.469 3.056 2.483 274 QD1 LEU 29 QD1 LEU 29 3.413 5.607 0.533 275 QD2 LEU 29 QD2 LEU 29 1.403 3.348 -0.108 276 QQD LEU 29 QQD LEU 29 2.408 4.477 0.212 277 H ALA 30 HN ALA 30 1.103 4.336 4.978 278 HA ALA 30 HA ALA 30 -0.508 6.494 4.363 279 1HB ALA 30 1HB ALA 30 -1.138 4.798 6.048 280 2HB ALA 30 2HB ALA 30 0.033 5.476 7.173 281 3HB ALA 30 3HB ALA 30 -1.371 6.422 6.687 282 QB ALA 30 QB ALA 30 -0.825 5.566 6.636 283 H SER 31 HN SER 31 2.222 6.509 6.586 284 HA SER 31 HA SER 31 2.197 9.036 7.719 285 1HB SER 31 2HB SER 31 4.680 8.952 7.678 286 2HB SER 31 3HB SER 31 4.055 7.319 7.978 287 HG SER 31 HG SER 31 4.971 6.747 6.172 288 QB SER 31 QB SER 31 4.367 8.136 7.827 289 H THR 32 HN THR 32 3.500 8.192 4.610 290 HA THR 32 HA THR 32 3.384 11.042 3.731 291 HB THR 32 HB THR 32 5.205 10.072 2.047 292 HG1 THR 32 1HG THR 32 5.264 8.212 4.242 293 1HG2 THR 32 3HG THR 32 5.832 10.118 5.042 294 2HG2 THR 32 1HG THR 32 6.996 10.325 3.736 295 3HG2 THR 32 2HG THR 32 5.781 11.563 4.034 296 QG2 THR 32 QG2 THR 32 6.203 10.669 4.270 297 NH1 ARG 33 NH2 ARG 33 -3.536 10.303 1.165 298 NH2 ARG 33 NH1 ARG 33 -5.504 9.185 0.898 299 H ARG 33 HN ARG 33 1.076 9.636 3.671 300 HA ARG 33 HA ARG 33 0.644 8.253 1.167 301 1HB ARG 33 2HB ARG 33 -0.720 8.120 3.376 302 2HB ARG 33 3HB ARG 33 -1.539 9.553 2.816 303 1HG ARG 33 2HG ARG 33 -2.126 8.329 0.696 304 2HG ARG 33 3HG ARG 33 -1.359 6.894 1.343 305 1HD ARG 33 2HD ARG 33 -3.742 6.679 1.764 306 2HD ARG 33 3HD ARG 33 -2.960 6.995 3.308 307 HE ARG 33 HE ARG 33 -4.416 8.836 3.433 308 1HH1 ARG 33 2HH ARG 33 -2.691 10.445 1.679 309 2HH1 ARG 33 1HH ARG 33 -3.713 10.854 0.349 310 1HH2 ARG 33 2HH ARG 33 -6.137 8.474 1.207 311 2HH2 ARG 33 1HH ARG 33 -5.738 9.738 0.090 312 QB ARG 33 QB ARG 33 -1.129 8.837 3.096 313 QG ARG 33 QG ARG 33 -1.743 7.611 1.020 314 QD ARG 33 QD ARG 33 -3.350 6.837 2.536 315 QH1 ARG 33 QH2 ARG 33 -3.202 10.650 1.014 316 QH2 ARG 33 QH1 ARG 33 -5.938 9.106 0.649 317 H GLN 34 HN GLN 34 1.707 10.082 -0.112 318 HA GLN 34 HA GLN 34 -0.060 12.402 -0.663 319 1HB GLN 34 2HB GLN 34 2.688 11.875 -0.987 320 2HB GLN 34 3HB GLN 34 2.080 11.873 -2.631 321 1HG GLN 34 2HG GLN 34 1.525 14.096 -0.629 322 2HG GLN 34 3HG GLN 34 2.842 14.142 -1.788 323 1HE2 GLN 34 2HE GLN 34 0.099 14.058 -4.445 324 2HE2 GLN 34 1HE GLN 34 1.192 12.847 -3.969 325 QB GLN 34 QB GLN 34 2.384 11.874 -1.809 326 QG GLN 34 QG GLN 34 2.183 14.119 -1.208 327 QE2 GLN 34 QE2 GLN 34 0.645 13.453 -4.207 328 H ILE 35 HN ILE 35 -1.321 10.039 -0.901 329 HA ILE 35 HA ILE 35 -2.095 9.846 -3.749 330 HB ILE 35 HB ILE 35 -1.970 7.345 -3.645 331 1HG1 ILE 35 2HG ILE 35 -0.812 7.948 -0.908 332 2HG1 ILE 35 3HG ILE 35 -2.226 6.973 -1.274 333 1HG2 ILE 35 2HG ILE 35 -0.033 8.661 -4.533 334 2HG2 ILE 35 3HG ILE 35 0.691 8.608 -2.930 335 3HG2 ILE 35 1HG ILE 35 0.443 7.119 -3.834 336 1HD1 ILE 35 3HD ILE 35 -0.748 5.321 -2.421 337 2HD1 ILE 35 1HD ILE 35 0.650 6.290 -1.967 338 3HD1 ILE 35 2HD ILE 35 -0.329 5.534 -0.725 339 QG1 ILE 35 QG1 ILE 35 -1.520 7.460 -1.091 340 QG2 ILE 35 QG2 ILE 35 0.367 8.130 -3.766 341 QD1 ILE 35 QD1 ILE 35 -0.143 5.715 -1.704 342 H ASP 36 HN ASP 36 -3.846 7.718 -3.512 343 HA ASP 36 HA ASP 36 -5.528 8.323 -1.142 344 1HB ASP 36 2HB ASP 36 -6.372 9.544 -3.245 345 2HB ASP 36 3HB ASP 36 -6.736 7.949 -3.891 346 QB ASP 36 QB ASP 36 -6.555 8.747 -3.569 347 H PHE 37 HN PHE 37 -7.115 6.571 -0.753 348 HA PHE 37 HA PHE 37 -6.089 3.934 -1.789 349 1HB PHE 37 2HB PHE 37 -6.701 4.865 0.984 350 2HB PHE 37 3HB PHE 37 -7.068 3.195 0.593 351 HD1 PHE 37 1HD PHE 37 -4.098 4.822 -0.980 352 HD2 PHE 37 2HD PHE 37 -5.504 2.429 2.253 353 HE1 PHE 37 1HE PHE 37 -1.799 4.139 -0.479 354 HE2 PHE 37 2HE PHE 37 -3.203 1.775 2.762 355 HZ PHE 37 HZ PHE 37 -1.339 2.647 1.424 356 QB PHE 37 QB PHE 37 -6.885 4.031 0.789 357 QR PHE 37 QR PHE 37 -3.652 3.291 0.889 358 CH2 TRP 38 CH2 TRP 38 -12.431 -2.079 -5.516 359 H TRP 38 HN TRP 38 -7.818 2.188 -1.646 360 HA TRP 38 HA TRP 38 -10.541 3.431 -1.860 361 1HB TRP 38 2HB TRP 38 -9.839 3.139 -4.095 362 2HB TRP 38 3HB TRP 38 -9.155 1.574 -3.773 363 HD1 TRP 38 HD1 TRP 38 -12.761 3.103 -3.583 364 HE1 TRP 38 HE1 TRP 38 -14.396 1.392 -4.394 365 HE3 TRP 38 HE3 TRP 38 -9.527 -0.533 -4.692 366 HZ2 TRP 38 HZ2 TRP 38 -14.384 -1.221 -5.375 367 HZ3 TRP 38 HZ3 TRP 38 -10.382 -2.687 -5.555 368 HH2 TRP 38 HH2 TRP 38 -12.789 -3.020 -5.908 369 QB TRP 38 QB TRP 38 -9.496 2.357 -3.933 370 H LYS 39 HN LYS 39 -9.165 0.148 -2.028 371 HA LYS 39 HA LYS 39 -11.243 -0.658 -0.028 372 1HB LYS 39 2HB LYS 39 -11.780 -1.430 -2.315 373 2HB LYS 39 3HB LYS 39 -10.245 -2.263 -2.395 374 1HG LYS 39 2HG LYS 39 -11.307 -3.215 -0.009 375 2HG LYS 39 3HG LYS 39 -12.742 -3.002 -0.994 376 1HD LYS 39 2HD LYS 39 -12.141 -5.177 -1.560 377 2HD LYS 39 3HD LYS 39 -11.344 -4.279 -2.839 378 1HE LYS 39 2HE LYS 39 -9.936 -4.986 -0.240 379 2HE LYS 39 3HE LYS 39 -9.945 -6.081 -1.616 380 1HZ LYS 39 3HZ LYS 39 -9.199 -3.584 -2.582 381 2HZ LYS 39 1HZ LYS 39 -8.306 -3.830 -1.155 382 3HZ LYS 39 2HZ LYS 39 -8.223 -4.942 -2.440 383 QB LYS 39 QB LYS 39 -11.013 -1.847 -2.355 384 QG LYS 39 QG LYS 39 -12.025 -3.108 -0.501 385 QD LYS 39 QD LYS 39 -11.743 -4.728 -2.199 386 QE LYS 39 QE LYS 39 -9.940 -5.534 -0.928 387 QZ LYS 39 QZ LYS 39 -8.576 -4.118 -2.059 388 HA PRO 40 HA PRO 40 -11.182 -0.500 1.914 389 1HB PRO 40 2HB PRO 40 -9.105 -0.259 4.040 390 2HB PRO 40 3HB PRO 40 -10.824 -0.642 4.195 391 1HG PRO 40 2HG PRO 40 -8.945 -2.578 4.478 392 2HG PRO 40 3HG PRO 40 -10.489 -2.934 3.704 393 1HD PRO 40 2HD PRO 40 -7.798 -2.471 2.426 394 2HD PRO 40 3HD PRO 40 -9.085 -3.598 1.946 395 QB PRO 40 QB PRO 40 -9.964 -0.451 4.117 396 QG PRO 40 QG PRO 40 -9.718 -2.756 4.091 397 QD PRO 40 QD PRO 40 -8.442 -3.034 2.187 398 H ASP 41 HN ASP 41 -10.846 1.753 3.010 399 HA ASP 41 HA ASP 41 -9.197 3.336 1.135 400 1HB ASP 41 2HB ASP 41 -10.536 5.226 1.941 401 2HB ASP 41 3HB ASP 41 -11.607 3.889 1.541 402 QB ASP 41 QB ASP 41 -11.071 4.558 1.741 403 H SER 42 HN SER 42 -9.721 3.084 4.658 404 HA SER 42 HA SER 42 -7.320 4.764 5.062 405 1HB SER 42 2HB SER 42 -9.368 5.125 6.443 406 2HB SER 42 3HB SER 42 -9.173 3.498 7.120 407 HG SER 42 HG SER 42 -7.886 4.504 8.477 408 QB SER 42 QB SER 42 -9.271 4.311 6.782 409 H VAL 43 HN VAL 43 -6.027 4.033 7.032 410 HA VAL 43 HA VAL 43 -5.057 1.254 6.544 411 HB VAL 43 HB VAL 43 -3.617 3.831 7.132 412 1HG1 VAL 43 1HG VAL 43 -2.530 1.044 7.695 413 2HG1 VAL 43 2HG VAL 43 -1.598 2.538 7.731 414 3HG1 VAL 43 3HG VAL 43 -2.870 2.269 8.915 415 1HG2 VAL 43 3HG VAL 43 -3.118 1.440 5.317 416 2HG2 VAL 43 1HG VAL 43 -3.793 2.989 4.818 417 3HG2 VAL 43 2HG VAL 43 -2.123 2.892 5.370 418 QG1 VAL 43 QG1 VAL 43 -2.333 1.950 8.114 419 QG2 VAL 43 QG2 VAL 43 -3.011 2.440 5.168 420 QQG VAL 43 QQG VAL 43 -2.672 2.195 6.641 421 H THR 44 HN THR 44 -5.576 3.757 8.885 422 HA THR 44 HA THR 44 -5.037 2.917 11.349 423 HB THR 44 HB THR 44 -7.333 3.838 12.062 424 HG1 THR 44 1HG THR 44 -8.778 3.717 10.506 425 1HG2 THR 44 3HG THR 44 -5.990 5.383 9.781 426 2HG2 THR 44 1HG THR 44 -7.010 6.069 11.038 427 3HG2 THR 44 2HG THR 44 -5.423 5.425 11.447 428 QG2 THR 44 QG2 THR 44 -6.140 5.626 10.755 429 H GLN 45 HN GLN 45 -7.619 1.435 9.446 430 HA GLN 45 HA GLN 45 -7.806 -0.716 11.529 431 1HB GLN 45 2HB GLN 45 -9.946 0.199 9.580 432 2HB GLN 45 3HB GLN 45 -10.128 -1.068 10.781 433 1HG GLN 45 2HG GLN 45 -9.671 0.636 12.578 434 2HG GLN 45 3HG GLN 45 -9.651 1.881 11.334 435 1HE2 GLN 45 2HE GLN 45 -13.270 0.420 10.800 436 2HE2 GLN 45 1HE GLN 45 -11.849 -0.099 10.028 437 QB GLN 45 QB GLN 45 -10.037 -0.434 10.181 438 QG GLN 45 QG GLN 45 -9.661 1.259 11.956 439 QE2 GLN 45 QE2 GLN 45 -12.560 0.160 10.414 440 H ILE 46 HN ILE 46 -5.833 -1.056 9.583 441 HA ILE 46 HA ILE 46 -7.114 -2.987 7.678 442 HB ILE 46 HB ILE 46 -4.426 -1.654 7.632 443 1HG1 ILE 46 2HG ILE 46 -6.323 -0.261 6.977 444 2HG1 ILE 46 3HG ILE 46 -5.117 -0.501 5.712 445 1HG2 ILE 46 2HG ILE 46 -5.511 -3.739 5.761 446 2HG2 ILE 46 3HG ILE 46 -4.072 -2.775 5.448 447 3HG2 ILE 46 1HG ILE 46 -4.101 -3.905 6.792 448 1HD1 ILE 46 1HD ILE 46 -6.485 -2.327 4.799 449 2HD1 ILE 46 2HD ILE 46 -7.698 -1.997 6.038 450 3HD1 ILE 46 3HD ILE 46 -7.327 -0.782 4.818 451 QG1 ILE 46 QG1 ILE 46 -5.720 -0.381 6.345 452 QG2 ILE 46 QG2 ILE 46 -4.562 -3.473 6.001 453 QD1 ILE 46 QD1 ILE 46 -7.170 -1.702 5.218 454 H LYS 47 HN LYS 47 -6.368 -5.085 7.497 455 HA LYS 47 HA LYS 47 -4.473 -6.096 9.592 456 1HB LYS 47 2HB LYS 47 -7.335 -6.962 9.061 457 2HB LYS 47 3HB LYS 47 -6.206 -8.045 9.840 458 1HG LYS 47 2HG LYS 47 -6.806 -5.239 10.864 459 2HG LYS 47 3HG LYS 47 -7.683 -6.655 11.404 460 1HD LYS 47 2HD LYS 47 -6.112 -6.772 13.037 461 2HD LYS 47 3HD LYS 47 -5.080 -7.468 11.815 462 1HE LYS 47 2HE LYS 47 -4.229 -5.170 11.273 463 2HE LYS 47 3HE LYS 47 -5.227 -4.521 12.557 464 1HZ LYS 47 1HZ LYS 47 -3.593 -6.679 13.490 465 2HZ LYS 47 2HZ LYS 47 -2.656 -5.509 12.714 466 3HZ LYS 47 3HZ LYS 47 -3.643 -5.060 14.026 467 QB LYS 47 QB LYS 47 -6.771 -7.504 9.451 468 QG LYS 47 QG LYS 47 -7.245 -5.947 11.135 469 QD LYS 47 QD LYS 47 -5.595 -7.120 12.427 470 QE LYS 47 QE LYS 47 -4.728 -4.846 11.915 471 QZ LYS 47 QZ LYS 47 -3.297 -5.749 13.410 472 HA PRO 48 HA PRO 48 -3.049 -9.261 6.649 473 1HB PRO 48 2HB PRO 48 -4.520 -11.364 8.044 474 2HB PRO 48 3HB PRO 48 -2.780 -11.119 7.923 475 1HG PRO 48 2HG PRO 48 -4.547 -10.465 10.154 476 2HG PRO 48 3HG PRO 48 -2.780 -10.455 10.105 477 1HD PRO 48 2HD PRO 48 -4.359 -8.179 10.257 478 2HD PRO 48 3HD PRO 48 -2.709 -8.155 9.675 479 QB PRO 48 QB PRO 48 -3.650 -11.242 7.984 480 QG PRO 48 QG PRO 48 -3.664 -10.460 10.129 481 QD PRO 48 QD PRO 48 -3.535 -8.166 9.966 482 H HIS 49 HN HIS 49 -4.039 -10.786 5.086 483 HA HIS 49 HA HIS 49 -5.550 -10.884 3.265 484 1HB HIS 49 2HB HIS 49 -7.181 -11.815 5.626 485 2HB HIS 49 3HB HIS 49 -7.588 -12.125 3.961 486 HD1 HIS 49 HD1 HIS 49 -7.415 -14.608 4.817 487 HD2 HIS 49 HD2 HIS 49 -3.781 -12.698 4.523 488 HE1 HIS 49 HE1 HIS 49 -5.659 -16.406 4.842 489 QB HIS 49 QB HIS 49 -7.385 -11.970 4.793 490 H SER 50 HN SER 50 -5.602 -8.238 4.401 491 HA SER 50 HA SER 50 -8.459 -7.490 4.353 492 1HB SER 50 2HB SER 50 -5.918 -5.871 4.756 493 2HB SER 50 3HB SER 50 -7.549 -5.166 4.762 494 HG SER 50 HG SER 50 -6.715 -7.410 6.323 495 QB SER 50 QB SER 50 -6.733 -5.519 4.759 496 H THR 51 HN THR 51 -5.625 -7.441 2.358 497 HA THR 51 HA THR 51 -5.315 -6.849 0.103 498 HB THR 51 HB THR 51 -8.173 -6.596 -0.370 499 HG1 THR 51 1HG THR 51 -8.262 -8.349 1.024 500 1HG2 THR 51 2HG THR 51 -6.048 -8.305 -1.692 501 2HG2 THR 51 3HG THR 51 -7.683 -8.088 -2.301 502 3HG2 THR 51 1HG THR 51 -6.564 -6.726 -2.269 503 QG2 THR 51 QG2 THR 51 -6.765 -7.707 -2.087 504 H VAL 52 HN VAL 52 -4.701 -4.932 0.073 505 HA VAL 52 HA VAL 52 -6.490 -2.603 0.487 506 HB VAL 52 HB VAL 52 -3.486 -2.749 0.868 507 1HG1 VAL 52 2HG VAL 52 -5.471 -0.487 1.355 508 2HG1 VAL 52 3HG VAL 52 -3.758 -0.445 1.755 509 3HG1 VAL 52 1HG VAL 52 -4.264 -0.533 0.073 510 1HG2 VAL 52 3HG VAL 52 -5.751 -2.473 2.871 511 2HG2 VAL 52 1HG VAL 52 -4.749 -3.904 2.666 512 3HG2 VAL 52 2HG VAL 52 -4.040 -2.408 3.262 513 QG1 VAL 52 QG1 VAL 52 -4.498 -0.489 1.061 514 QG2 VAL 52 QG2 VAL 52 -4.847 -2.928 2.934 515 QQG VAL 52 QQG VAL 52 -4.672 -1.709 1.997 516 H ASP 53 HN ASP 53 -6.912 -1.534 -1.254 517 HA ASP 53 HA ASP 53 -5.045 -1.727 -3.575 518 1HB ASP 53 2HB ASP 53 -8.046 -1.263 -3.543 519 2HB ASP 53 3HB ASP 53 -7.057 -1.444 -4.977 520 QB ASP 53 QB ASP 53 -7.552 -1.353 -4.260 521 H PHE 54 HN PHE 54 -4.422 0.195 -4.472 522 HA PHE 54 HA PHE 54 -5.643 2.702 -3.486 523 1HB PHE 54 2HB PHE 54 -3.473 3.625 -2.785 524 2HB PHE 54 3HB PHE 54 -3.782 2.142 -1.890 525 HD1 PHE 54 2HD PHE 54 -2.709 -0.035 -2.743 526 HD2 PHE 54 1HD PHE 54 -1.528 3.806 -4.169 527 HE1 PHE 54 2HE PHE 54 -0.626 -0.994 -3.626 528 HE2 PHE 54 1HE PHE 54 0.553 2.827 -5.035 529 HZ PHE 54 HZ PHE 54 1.000 0.434 -4.769 530 QB PHE 54 QB PHE 54 -3.627 2.884 -2.338 531 QR PHE 54 QR PHE 54 -1.077 1.401 -3.894 532 NH1 ARG 55 NH1 ARG 55 -6.336 6.062 -11.794 533 NH2 ARG 55 NH2 ARG 55 -6.600 8.307 -12.108 534 H ARG 55 HN ARG 55 -4.445 4.596 -4.566 535 HA ARG 55 HA ARG 55 -3.670 3.824 -7.356 536 1HB ARG 55 2HB ARG 55 -6.001 4.770 -7.278 537 2HB ARG 55 3HB ARG 55 -5.354 6.228 -6.536 538 1HG ARG 55 2HG ARG 55 -3.831 6.458 -8.577 539 2HG ARG 55 3HG ARG 55 -4.733 5.138 -9.305 540 1HD ARG 55 2HD ARG 55 -6.811 6.446 -9.160 541 2HD ARG 55 3HD ARG 55 -5.954 7.740 -8.333 542 HE ARG 55 HE ARG 55 -4.651 8.132 -10.427 543 1HH1 ARG 55 2HH ARG 55 -5.931 5.329 -11.250 544 2HH1 ARG 55 1HH ARG 55 -6.867 5.842 -12.611 545 1HH2 ARG 55 2HH ARG 55 -6.354 9.251 -11.825 546 2HH2 ARG 55 1HH ARG 55 -7.163 8.174 -12.917 547 QB ARG 55 QB ARG 55 -5.678 5.498 -6.907 548 QG ARG 55 QG ARG 55 -4.282 5.798 -8.941 549 QD ARG 55 QD ARG 55 -6.382 7.093 -8.746 550 QH1 ARG 55 QH1 ARG 55 -6.400 5.586 -11.930 551 QH2 ARG 55 QH2 ARG 55 -6.758 8.712 -12.371 552 H VAL 56 HN VAL 56 -2.101 5.141 -8.282 553 HA VAL 56 HA VAL 56 -0.674 6.938 -6.394 554 HB VAL 56 HB VAL 56 1.276 6.398 -7.957 555 1HG1 VAL 56 3HG VAL 56 -0.032 4.123 -6.451 556 2HG1 VAL 56 1HG VAL 56 1.668 4.184 -6.901 557 3HG1 VAL 56 2HG VAL 56 1.017 5.343 -5.746 558 1HG2 VAL 56 3HG VAL 56 -0.040 5.535 -9.858 559 2HG2 VAL 56 1HG VAL 56 1.103 4.329 -9.272 560 3HG2 VAL 56 2HG VAL 56 -0.603 4.200 -8.856 561 QG1 VAL 56 QG1 VAL 56 0.884 4.550 -6.366 562 QG2 VAL 56 QG2 VAL 56 0.154 4.688 -9.329 563 QQG VAL 56 QQG VAL 56 0.519 4.619 -7.847 564 H LYS 57 HN LYS 57 0.646 8.608 -7.657 565 HA LYS 57 HA LYS 57 -1.232 10.024 -9.462 566 1HB LYS 57 2HB LYS 57 -0.178 11.153 -7.467 567 2HB LYS 57 3HB LYS 57 1.396 10.961 -8.215 568 1HG LYS 57 2HG LYS 57 1.022 12.642 -9.753 569 2HG LYS 57 3HG LYS 57 -0.683 12.257 -9.912 570 1HD LYS 57 2HD LYS 57 -0.419 14.443 -8.829 571 2HD LYS 57 3HD LYS 57 -1.124 13.296 -7.705 572 1HE LYS 57 2HE LYS 57 0.582 14.559 -6.531 573 2HE LYS 57 3HE LYS 57 1.155 12.909 -6.722 574 1HZ LYS 57 2HZ LYS 57 2.000 14.337 -8.972 575 2HZ LYS 57 3HZ LYS 57 2.364 15.286 -7.607 576 3HZ LYS 57 1HZ LYS 57 2.940 13.691 -7.734 577 QB LYS 57 QB LYS 57 0.609 11.057 -7.841 578 QG LYS 57 QG LYS 57 0.169 12.449 -9.832 579 QD LYS 57 QD LYS 57 -0.772 13.870 -8.267 580 QE LYS 57 QE LYS 57 0.869 13.733 -6.626 581 QZ LYS 57 QZ LYS 57 2.434 14.438 -8.104 582 H ALA 58 HN ALA 58 1.867 11.085 -10.114 583 HA ALA 58 HA ALA 58 2.126 9.226 -12.456 584 1HB ALA 58 1HB ALA 58 2.553 12.239 -12.421 585 2HB ALA 58 2HB ALA 58 2.882 11.186 -13.792 586 3HB ALA 58 3HB ALA 58 1.232 11.388 -13.216 587 QB ALA 58 QB ALA 58 2.222 11.604 -13.143 588 H GLU 59 HN GLU 59 3.932 11.864 -10.913 589 HA GLU 59 HA GLU 59 6.456 10.495 -11.356 590 1HB GLU 59 2HB GLU 59 7.365 12.354 -9.828 591 2HB GLU 59 3HB GLU 59 6.630 12.868 -11.334 592 1HG GLU 59 2HG GLU 59 5.042 12.793 -8.753 593 2HG GLU 59 3HG GLU 59 5.998 14.188 -9.213 594 QB GLU 59 QB GLU 59 6.998 12.611 -10.580 595 QG GLU 59 QG GLU 59 5.520 13.491 -8.982 596 H ASP 60 HN ASP 60 4.315 11.080 -8.637 597 HA ASP 60 HA ASP 60 5.694 9.958 -6.499 598 1HB ASP 60 2HB ASP 60 2.758 9.450 -7.123 599 2HB ASP 60 3HB ASP 60 3.515 9.298 -5.546 600 QB ASP 60 QB ASP 60 3.136 9.374 -6.334 601 H ILE 61 HN ILE 61 3.805 8.329 -8.969 602 HA ILE 61 HA ILE 61 3.631 5.722 -8.342 603 HB ILE 61 HB ILE 61 4.917 6.725 -10.917 604 1HG1 ILE 61 2HG ILE 61 2.010 6.260 -10.146 605 2HG1 ILE 61 3HG ILE 61 2.762 7.820 -10.421 606 1HG2 ILE 61 2HG ILE 61 5.139 4.258 -10.532 607 2HG2 ILE 61 3HG ILE 61 3.393 4.150 -10.338 608 3HG2 ILE 61 1HG ILE 61 4.087 4.616 -11.889 609 1HD1 ILE 61 2HD ILE 61 3.248 7.179 -12.763 610 2HD1 ILE 61 3HD ILE 61 2.467 5.629 -12.497 611 3HD1 ILE 61 1HD ILE 61 1.524 7.106 -12.419 612 QG1 ILE 61 QG1 ILE 61 2.385 7.040 -10.283 613 QG2 ILE 61 QG2 ILE 61 4.207 4.341 -10.920 614 QD1 ILE 61 QD1 ILE 61 2.413 6.638 -12.560 615 H LEU 62 HN LEU 62 6.657 7.041 -9.634 616 HA LEU 62 HA LEU 62 8.318 4.843 -9.357 617 1HB LEU 62 2HB LEU 62 9.044 7.024 -10.264 618 2HB LEU 62 3HB LEU 62 8.996 7.718 -8.652 619 HG LEU 62 HG LEU 62 10.681 5.878 -7.979 620 1HD1 LEU 62 3HD LEU 62 10.915 5.699 -11.006 621 2HD1 LEU 62 1HD LEU 62 12.031 4.971 -9.854 622 3HD1 LEU 62 2HD LEU 62 10.364 4.415 -9.933 623 1HD2 LEU 62 3HD LEU 62 11.511 7.978 -10.008 624 2HD2 LEU 62 1HD LEU 62 11.304 8.243 -8.279 625 3HD2 LEU 62 2HD LEU 62 12.585 7.183 -8.859 626 QB LEU 62 QB LEU 62 9.020 7.371 -9.458 627 QD1 LEU 62 QD1 LEU 62 11.103 5.029 -10.265 628 QD2 LEU 62 QD2 LEU 62 11.800 7.801 -9.049 629 QQD LEU 62 QQD LEU 62 11.452 6.414 -9.657 630 H ALA 63 HN ALA 63 7.736 7.243 -6.766 631 HA ALA 63 HA ALA 63 9.296 5.739 -4.837 632 1HB ALA 63 2HB ALA 63 7.268 7.962 -4.415 633 2HB ALA 63 3HB ALA 63 8.375 7.350 -3.187 634 3HB ALA 63 1HB ALA 63 9.006 8.171 -4.611 635 QB ALA 63 QB ALA 63 8.216 7.828 -4.071 636 H VAL 64 HN VAL 64 5.877 5.791 -5.691 637 HA VAL 64 HA VAL 64 5.123 4.313 -3.244 638 HB VAL 64 HB VAL 64 3.466 4.365 -5.787 639 1HG1 VAL 64 1HG VAL 64 2.787 4.383 -2.820 640 2HG1 VAL 64 2HG VAL 64 1.609 4.341 -4.122 641 3HG1 VAL 64 3HG VAL 64 2.700 2.981 -3.878 642 1HG2 VAL 64 3HG VAL 64 3.662 6.581 -3.709 643 2HG2 VAL 64 1HG VAL 64 4.203 6.689 -5.373 644 3HG2 VAL 64 2HG VAL 64 2.496 6.525 -5.028 645 QG1 VAL 64 QG1 VAL 64 2.366 3.902 -3.607 646 QG2 VAL 64 QG2 VAL 64 3.454 6.598 -4.703 647 QQG VAL 64 QQG VAL 64 2.910 5.250 -4.155 648 H GLU 65 HN GLU 65 6.054 3.549 -6.513 649 HA GLU 65 HA GLU 65 5.415 0.714 -6.294 650 1HB GLU 65 2HB GLU 65 7.370 2.202 -8.125 651 2HB GLU 65 3HB GLU 65 7.037 0.484 -8.239 652 1HG GLU 65 2HG GLU 65 4.564 1.151 -8.593 653 2HG GLU 65 3HG GLU 65 5.143 2.791 -8.841 654 QB GLU 65 QB GLU 65 7.204 1.344 -8.181 655 QG GLU 65 QG GLU 65 4.853 1.971 -8.717 656 H ASP 66 HN ASP 66 8.433 2.566 -6.399 657 HA ASP 66 HA ASP 66 10.383 0.892 -5.497 658 1HB ASP 66 2HB ASP 66 10.892 3.222 -5.838 659 2HB ASP 66 3HB ASP 66 9.742 3.734 -4.624 660 QB ASP 66 QB ASP 66 10.317 3.478 -5.231 661 H PHE 67 HN PHE 67 8.493 2.758 -3.121 662 HA PHE 67 HA PHE 67 9.229 1.533 -0.761 663 1HB PHE 67 2HB PHE 67 7.507 3.350 -0.950 664 2HB PHE 67 3HB PHE 67 6.346 2.158 -1.520 665 HD1 PHE 67 1HD PHE 67 5.755 0.203 0.007 666 HD2 PHE 67 2HD PHE 67 7.929 3.583 1.411 667 HE1 PHE 67 1HE PHE 67 5.377 -0.514 2.313 668 HE2 PHE 67 2HE PHE 67 7.474 2.894 3.733 669 HZ PHE 67 HZ PHE 67 6.235 0.812 4.177 670 QB PHE 67 QB PHE 67 6.927 2.755 -1.235 671 QR PHE 67 QR PHE 67 6.634 1.541 1.866 672 H LEU 68 HN LEU 68 6.576 0.284 -2.824 673 HA LEU 68 HA LEU 68 6.260 -2.122 -1.215 674 1HB LEU 68 2HB LEU 68 5.552 -1.603 -4.125 675 2HB LEU 68 3HB LEU 68 5.041 -3.021 -3.223 676 HG LEU 68 HG LEU 68 4.434 -0.271 -2.127 677 1HD1 LEU 68 1HD LEU 68 3.670 -0.277 -4.493 678 2HD1 LEU 68 2HD LEU 68 2.786 -1.772 -4.195 679 3HD1 LEU 68 3HD LEU 68 2.313 -0.288 -3.372 680 1HD2 LEU 68 2HD LEU 68 3.989 -2.297 -0.744 681 2HD2 LEU 68 3HD LEU 68 2.496 -1.478 -1.171 682 3HD2 LEU 68 1HD LEU 68 2.971 -2.949 -2.022 683 QB LEU 68 QB LEU 68 5.296 -2.312 -3.674 684 QD1 LEU 68 QD1 LEU 68 2.922 -0.779 -4.020 685 QD2 LEU 68 QD2 LEU 68 3.152 -2.241 -1.312 686 QQD LEU 68 QQD LEU 68 3.038 -1.510 -2.666 687 H GLU 69 HN GLU 69 7.798 -1.599 -4.360 688 HA GLU 69 HA GLU 69 8.794 -4.118 -4.954 689 1HB GLU 69 2HB GLU 69 10.286 -1.496 -5.307 690 2HB GLU 69 3HB GLU 69 10.484 -2.925 -6.294 691 1HG GLU 69 2HG GLU 69 7.687 -2.283 -6.290 692 2HG GLU 69 3HG GLU 69 8.574 -0.799 -6.577 693 QB GLU 69 QB GLU 69 10.385 -2.211 -5.801 694 QG GLU 69 QG GLU 69 8.131 -1.541 -6.434 695 H GLN 70 HN GLN 70 10.602 -1.618 -3.270 696 HA GLN 70 HA GLN 70 12.981 -2.653 -2.599 697 1HB GLN 70 2HB GLN 70 11.024 -1.205 -0.803 698 2HB GLN 70 3HB GLN 70 12.620 -1.651 -0.219 699 1HG GLN 70 2HG GLN 70 13.631 -0.415 -2.148 700 2HG GLN 70 3HG GLN 70 12.022 0.095 -2.629 701 1HE2 GLN 70 2HE GLN 70 12.092 2.795 -0.377 702 2HE2 GLN 70 1HE GLN 70 11.516 2.137 -1.835 703 QB GLN 70 QB GLN 70 11.822 -1.429 -0.511 704 QG GLN 70 QG GLN 70 12.827 -0.160 -2.389 705 QE2 GLN 70 QE2 GLN 70 11.804 2.466 -1.106 706 H ASN 71 HN ASN 71 10.200 -3.342 -0.528 707 HA ASN 71 HA ASN 71 11.694 -5.682 0.563 708 1HB ASN 71 2HB ASN 71 9.197 -4.647 1.862 709 2HB ASN 71 3HB ASN 71 10.672 -5.257 2.592 710 1HD2 ASN 71 2HD ASN 71 10.319 -1.280 1.815 711 2HD2 ASN 71 1HD ASN 71 9.141 -2.354 1.246 712 QB ASN 71 QB ASN 71 9.934 -4.952 2.227 713 QD2 ASN 71 QD2 ASN 71 9.730 -1.817 1.531 714 H GLU 72 HN GLU 72 10.423 -5.995 -1.934 715 HA GLU 72 HA GLU 72 8.532 -7.031 -2.991 716 1HB GLU 72 2HB GLU 72 10.384 -8.725 -2.272 717 2HB GLU 72 3HB GLU 72 9.241 -9.223 -1.034 718 1HG GLU 72 2HG GLU 72 7.523 -9.525 -2.903 719 2HG GLU 72 3HG GLU 72 8.851 -9.311 -4.040 720 QB GLU 72 QB GLU 72 9.812 -8.975 -1.654 721 QG GLU 72 QG GLU 72 8.187 -9.418 -3.472 722 H LEU 73 HN LEU 73 7.401 -5.363 -1.289 723 HA LEU 73 HA LEU 73 5.735 -6.685 0.664 724 1HB LEU 73 2HB LEU 73 6.571 -4.150 0.468 725 2HB LEU 73 3HB LEU 73 5.069 -3.971 -0.429 726 HG LEU 73 HG LEU 73 3.919 -5.157 1.531 727 1HD1 LEU 73 1HD LEU 73 6.570 -4.501 2.878 728 2HD1 LEU 73 2HD LEU 73 5.128 -5.084 3.696 729 3HD1 LEU 73 3HD LEU 73 5.967 -6.120 2.556 730 1HD2 LEU 73 1HD LEU 73 3.794 -2.694 1.211 731 2HD2 LEU 73 2HD LEU 73 3.858 -3.103 2.917 732 3HD2 LEU 73 3HD LEU 73 5.301 -2.508 2.102 733 QB LEU 73 QB LEU 73 5.821 -4.060 0.020 734 QD1 LEU 73 QD1 LEU 73 5.888 -5.235 3.043 735 QD2 LEU 73 QD2 LEU 73 4.318 -2.768 2.077 736 QQD LEU 73 QQD LEU 73 5.103 -4.002 2.560 737 H GLN 74 HN GLN 74 5.052 -8.247 -0.704 738 HA GLN 74 HA GLN 74 3.802 -8.988 -2.699 739 1HB GLN 74 2HB GLN 74 1.877 -8.684 -0.375 740 2HB GLN 74 3HB GLN 74 1.937 -9.982 -1.563 741 1HG GLN 74 2HG GLN 74 4.353 -10.417 -0.688 742 2HG GLN 74 3HG GLN 74 3.911 -9.386 0.668 743 1HE2 GLN 74 2HE GLN 74 1.179 -12.259 0.883 744 2HE2 GLN 74 1HE GLN 74 1.026 -10.831 -0.031 745 QB GLN 74 QB GLN 74 1.907 -9.333 -0.969 746 QG GLN 74 QG GLN 74 4.132 -9.902 -0.010 747 QE2 GLN 74 QE2 GLN 74 1.103 -11.544 0.425 748 OH TYR 75 OH TYR 75 7.896 -5.525 -6.765 749 H TYR 75 HN TYR 75 3.540 -7.360 -4.276 750 HA TYR 75 HA TYR 75 0.933 -5.908 -4.080 751 1HB TYR 75 2HB TYR 75 1.981 -4.244 -5.724 752 2HB TYR 75 3HB TYR 75 2.591 -4.187 -4.080 753 HD1 TYR 75 HD1 TYR 75 4.687 -5.808 -3.654 754 HD2 TYR 75 HD2 TYR 75 3.594 -4.268 -7.459 755 HE1 TYR 75 HE1 TYR 75 6.981 -6.079 -4.416 756 HE2 TYR 75 HE2 TYR 75 5.922 -4.507 -8.211 757 HH TYR 75 HH TYR 75 8.152 -4.790 -7.349 758 QB TYR 75 QB TYR 75 2.286 -4.215 -4.902 759 QR TYR 75 QR TYR 75 5.296 -5.165 -5.935 760 H GLU 76 HN GLU 76 -0.419 -6.061 -5.786 761 HA GLU 76 HA GLU 76 0.413 -7.927 -7.976 762 1HB GLU 76 2HB GLU 76 -2.400 -7.547 -6.892 763 2HB GLU 76 3HB GLU 76 -1.823 -8.836 -7.937 764 1HG GLU 76 2HG GLU 76 -1.853 -9.881 -5.817 765 2HG GLU 76 3HG GLU 76 -0.176 -9.386 -5.969 766 QB GLU 76 QB GLU 76 -2.112 -8.191 -7.415 767 QG GLU 76 QG GLU 76 -1.015 -9.633 -5.893 768 H VAL 77 HN VAL 77 0.409 -7.012 -9.944 769 HA VAL 77 HA VAL 77 -1.531 -4.814 -10.561 770 HB VAL 77 HB VAL 77 1.396 -4.843 -11.412 771 1HG1 VAL 77 3HG VAL 77 -0.135 -3.673 -12.985 772 2HG1 VAL 77 1HG VAL 77 -0.754 -2.699 -11.653 773 3HG1 VAL 77 2HG VAL 77 0.926 -2.535 -12.161 774 1HG2 VAL 77 1HG VAL 77 0.014 -3.172 -9.281 775 2HG2 VAL 77 2HG VAL 77 1.236 -4.405 -8.996 776 3HG2 VAL 77 3HG VAL 77 1.662 -2.924 -9.849 777 QG1 VAL 77 QG1 VAL 77 0.012 -2.969 -12.266 778 QG2 VAL 77 QG2 VAL 77 0.971 -3.500 -9.375 779 QQG VAL 77 QQG VAL 77 0.491 -3.234 -10.821 780 H LEU 78 HN LEU 78 -2.490 -5.066 -12.575 781 HA LEU 78 HA LEU 78 -1.379 -7.230 -14.330 782 1HB LEU 78 2HB LEU 78 -4.278 -6.364 -14.008 783 2HB LEU 78 3HB LEU 78 -3.703 -7.635 -15.081 784 HG LEU 78 HG LEU 78 -2.613 -8.257 -12.547 785 1HD1 LEU 78 2HD LEU 78 -5.535 -7.446 -12.360 786 2HD1 LEU 78 3HD LEU 78 -4.655 -8.343 -11.127 787 3HD1 LEU 78 1HD LEU 78 -4.188 -6.694 -11.512 788 1HD2 LEU 78 2HD LEU 78 -5.062 -9.395 -13.953 789 2HD2 LEU 78 3HD LEU 78 -3.394 -9.878 -14.257 790 3HD2 LEU 78 1HD LEU 78 -4.135 -10.205 -12.695 791 QB LEU 78 QB LEU 78 -3.991 -7.000 -14.545 792 QD1 LEU 78 QD1 LEU 78 -4.793 -7.494 -11.666 793 QD2 LEU 78 QD2 LEU 78 -4.197 -9.825 -13.635 794 QQD LEU 78 QQD LEU 78 -4.495 -8.660 -12.651 795 H ILE 79 HN ILE 79 -3.804 -6.032 -16.072 796 HA ILE 79 HA ILE 79 -2.104 -3.923 -17.349 797 HB ILE 79 HB ILE 79 -4.033 -5.811 -18.762 798 1HG1 ILE 79 2HG ILE 79 -0.994 -5.961 -18.583 799 2HG1 ILE 79 3HG ILE 79 -2.091 -7.016 -17.704 800 1HG2 ILE 79 2HG ILE 79 -3.540 -3.641 -19.911 801 2HG2 ILE 79 3HG ILE 79 -1.822 -4.005 -19.824 802 3HG2 ILE 79 1HG ILE 79 -2.889 -5.012 -20.796 803 1HD1 ILE 79 3HD ILE 79 -3.049 -7.799 -19.874 804 2HD1 ILE 79 1HD ILE 79 -1.882 -6.797 -20.733 805 3HD1 ILE 79 2HD ILE 79 -1.327 -8.141 -19.744 806 QG1 ILE 79 QG1 ILE 79 -1.543 -6.488 -18.143 807 QG2 ILE 79 QG2 ILE 79 -2.750 -4.219 -20.177 808 QD1 ILE 79 QD1 ILE 79 -2.086 -7.579 -20.117 809 H ASN 80 HN ASN 80 -3.565 -2.749 -15.628 810 HA ASN 80 HA ASN 80 -5.085 -0.762 -16.582 811 1HB ASN 80 2HB ASN 80 -6.615 -2.341 -17.806 812 2HB ASN 80 3HB ASN 80 -7.081 -3.048 -16.270 813 1HD2 ASN 80 2HD ASN 80 -8.244 0.804 -16.107 814 2HD2 ASN 80 1HD ASN 80 -6.626 0.347 -15.858 815 QB ASN 80 QB ASN 80 -6.848 -2.694 -17.038 816 QD2 ASN 80 QD2 ASN 80 -7.435 0.576 -15.982 817 H ASN 81 HN ASN 81 -5.371 -3.403 -14.256 818 HA ASN 81 HA ASN 81 -5.590 -1.373 -12.116 819 1HB ASN 81 2HB ASN 81 -7.326 -2.697 -10.923 820 2HB ASN 81 3HB ASN 81 -7.895 -2.030 -12.439 821 1HD2 ASN 81 ASN 81 -7.207 -5.821 -13.403 822 2HD2 ASN 81 1HD ASN 81 -5.963 -4.671 -13.273 823 QB ASN 81 QB ASN 81 -7.611 -2.364 -11.681 824 QD2 ASN 81 QD2 ASN 81 -6.586 -5.246 -13.338 Start of MODEL 11 Raw file had 824 H/Q atoms Start of MODEL 11 1 1H HIS 1 HN3 HIS 1 -2.240 4.189 -28.457 2 2H HIS 1 HN1 HIS 1 -0.726 3.897 -27.853 3 3H HIS 1 HN2 HIS 1 -0.927 4.218 -29.465 4 HA HIS 1 HA HIS 1 -1.129 2.093 -29.909 5 1HB HIS 1 2HB HIS 1 -1.105 1.733 -26.903 6 2HB HIS 1 3HB HIS 1 -0.981 0.433 -28.057 7 HD1 HIS 1 HD1 HIS 1 0.952 3.243 -26.636 8 HD2 HIS 1 HD2 HIS 1 1.608 0.174 -29.315 9 HE1 HIS 1 HE1 HIS 1 3.420 3.222 -27.120 10 QB HIS 1 QB HIS 1 -1.043 1.083 -27.480 11 H HIS 2 HN HIS 2 -3.304 3.126 -27.306 12 HA HIS 2 HA HIS 2 -5.443 1.401 -28.492 13 1HB HIS 2 2HB HIS 2 -5.667 2.623 -25.764 14 2HB HIS 2 3HB HIS 2 -6.383 1.158 -26.371 15 HD1 HIS 2 HD1 HIS 2 -2.989 2.429 -25.502 16 HD2 HIS 2 HD2 HIS 2 -5.026 -1.153 -25.477 17 HE1 HIS 2 HE1 HIS 2 -1.459 0.748 -24.430 18 QB HIS 2 QB HIS 2 -6.026 1.890 -26.068 19 H SER 3 HN SER 3 -7.683 2.349 -28.172 20 HA SER 3 HA SER 3 -7.727 5.071 -29.256 21 1HB SER 3 2HB SER 3 -9.351 3.319 -30.039 22 2HB SER 3 3HB SER 3 -10.058 3.279 -28.412 23 HG SER 3 HG SER 3 -10.617 5.409 -28.598 24 QB SER 3 QB SER 3 -9.705 3.299 -29.226 25 H GLY 4 HN GLY 4 -6.613 5.831 -27.285 26 1HA GLY 4 1HA GLY 4 -7.494 7.675 -25.703 27 2HA GLY 4 2HA GLY 4 -8.493 6.393 -25.009 28 QA GLY 4 QA GLY 4 -7.994 7.034 -25.356 29 H GLU 5 HN GLU 5 -5.267 6.240 -26.219 30 HA GLU 5 HA GLU 5 -3.833 4.595 -24.848 31 1HB GLU 5 2HB GLU 5 -2.954 6.538 -26.264 32 2HB GLU 5 3HB GLU 5 -2.890 7.473 -24.774 33 1HG GLU 5 2HG GLU 5 -0.723 6.563 -24.866 34 2HG GLU 5 3HG GLU 5 -1.548 5.392 -23.851 35 QB GLU 5 QB GLU 5 -2.921 7.006 -25.519 36 QG GLU 5 QG GLU 5 -1.136 5.977 -24.358 37 H HIS 6 HN HIS 6 -4.060 3.801 -22.851 38 HA HIS 6 HA HIS 6 -3.944 5.778 -20.601 39 1HB HIS 6 2HB HIS 6 -6.072 4.525 -20.697 40 2HB HIS 6 3HB HIS 6 -5.191 3.020 -20.617 41 HD1 HIS 6 HD1 HIS 6 -4.705 6.098 -18.574 42 HD2 HIS 6 HD2 HIS 6 -5.645 2.136 -17.993 43 HE1 HIS 6 HE1 HIS 6 -4.838 5.751 -16.078 44 QB HIS 6 QB HIS 6 -5.632 3.772 -20.658 45 H PHE 7 HN PHE 7 -1.703 4.797 -21.970 46 HA PHE 7 HA PHE 7 -0.404 2.596 -20.717 47 1HB PHE 7 2HB PHE 7 0.550 3.564 -22.735 48 2HB PHE 7 3HB PHE 7 0.709 5.139 -21.966 49 HD1 PHE 7 1HD PHE 7 1.720 1.603 -21.124 50 HD2 PHE 7 2HD PHE 7 2.895 5.688 -21.398 51 HE1 PHE 7 1HE PHE 7 3.962 1.015 -20.318 52 HE2 PHE 7 2HE PHE 7 5.144 5.091 -20.610 53 HZ PHE 7 HZ PHE 7 5.685 2.751 -20.089 54 QB PHE 7 QB PHE 7 0.630 4.351 -22.350 55 QR PHE 7 QR PHE 7 3.430 3.349 -20.862 56 H GLU 8 HN GLU 8 -0.125 6.055 -20.046 57 HA GLU 8 HA GLU 8 0.873 5.423 -17.301 58 1HB GLU 8 2HB GLU 8 2.392 6.754 -18.730 59 2HB GLU 8 3HB GLU 8 1.117 7.922 -19.030 60 1HG GLU 8 2HG GLU 8 2.775 8.649 -17.291 61 2HG GLU 8 3HG GLU 8 1.126 8.621 -16.698 62 QB GLU 8 QB GLU 8 1.754 7.338 -18.880 63 QG GLU 8 QG GLU 8 1.950 8.635 -16.995 64 H GLY 9 HN GLY 9 0.165 7.291 -15.738 65 1HA GLY 9 1HA GLY 9 -1.538 8.678 -14.855 66 2HA GLY 9 2HA GLY 9 -2.476 8.425 -16.322 67 QA GLY 9 QA GLY 9 -2.007 8.551 -15.589 68 H GLU 10 HN GLU 10 -3.586 8.422 -13.919 69 HA GLU 10 HA GLU 10 -4.379 6.986 -12.172 70 1HB GLU 10 2HB GLU 10 -6.262 6.598 -14.472 71 2HB GLU 10 3HB GLU 10 -6.647 6.826 -12.776 72 1HG GLU 10 2HG GLU 10 -5.440 8.911 -14.636 73 2HG GLU 10 3HG GLU 10 -7.068 8.912 -13.990 74 QB GLU 10 QB GLU 10 -6.455 6.713 -13.624 75 QG GLU 10 QG GLU 10 -6.254 8.911 -14.313 76 H LYS 11 HN LYS 11 -3.159 5.205 -11.681 77 HA LYS 11 HA LYS 11 -4.284 2.635 -12.663 78 1HB LYS 11 2HB LYS 11 -1.707 3.500 -13.057 79 2HB LYS 11 3HB LYS 11 -1.574 2.151 -12.044 80 1HG LYS 11 2HG LYS 11 -1.448 1.201 -14.200 81 2HG LYS 11 3HG LYS 11 -3.121 0.972 -13.728 82 1HD LYS 11 2HD LYS 11 -3.229 1.766 -15.960 83 2HD LYS 11 3HD LYS 11 -3.621 3.163 -14.979 84 1HE LYS 11 2HE LYS 11 -1.217 3.895 -15.137 85 2HE LYS 11 3HE LYS 11 -0.922 2.549 -16.231 86 1HZ LYS 11 2HZ LYS 11 -3.172 3.909 -17.160 87 2HZ LYS 11 3HZ LYS 11 -2.004 5.075 -16.813 88 3HZ LYS 11 1HZ LYS 11 -1.646 3.801 -17.896 89 QB LYS 11 QB LYS 11 -1.641 2.826 -12.551 90 QG LYS 11 QG LYS 11 -2.284 1.086 -13.963 91 QD LYS 11 QD LYS 11 -3.424 2.464 -15.470 92 QE LYS 11 QE LYS 11 -1.069 3.222 -15.684 93 QZ LYS 11 QZ LYS 11 -2.275 4.262 -17.290 94 H VAL 12 HN VAL 12 -4.898 1.953 -11.192 95 HA VAL 12 HA VAL 12 -4.020 2.425 -8.348 96 HB VAL 12 HB VAL 12 -6.805 1.400 -8.989 97 1HG1 VAL 12 1HG VAL 12 -5.930 1.259 -6.649 98 2HG1 VAL 12 2HG VAL 12 -5.657 2.995 -6.650 99 3HG1 VAL 12 3HG VAL 12 -7.300 2.366 -6.750 100 1HG2 VAL 12 3HG VAL 12 -6.555 3.518 -10.246 101 2HG2 VAL 12 1HG VAL 12 -7.671 3.693 -8.894 102 3HG2 VAL 12 2HG VAL 12 -6.038 4.317 -8.774 103 QG1 VAL 12 QG1 VAL 12 -6.295 2.206 -6.683 104 QG2 VAL 12 QG2 VAL 12 -6.754 3.842 -9.304 105 QQG VAL 12 QQG VAL 12 -6.525 3.025 -7.994 106 H PHE 13 HN PHE 13 -2.905 0.701 -7.665 107 HA PHE 13 HA PHE 13 -4.029 -1.982 -8.339 108 1HB PHE 13 2HB PHE 13 -1.458 -2.615 -7.794 109 2HB PHE 13 3HB PHE 13 -2.053 -2.284 -9.409 110 HD1 PHE 13 1HD PHE 13 -1.964 0.247 -10.173 111 HD2 PHE 13 2HD PHE 13 0.345 -1.359 -6.970 112 HE1 PHE 13 1HE PHE 13 -0.238 1.935 -10.577 113 HE2 PHE 13 2HE PHE 13 2.094 0.296 -7.422 114 HZ PHE 13 HZ PHE 13 1.856 1.900 -9.242 115 QB PHE 13 QB PHE 13 -1.755 -2.450 -8.601 116 QR PHE 13 QR PHE 13 0.059 0.280 -8.785 117 NH1 ARG 14 NH1 ARG 14 -7.521 -3.919 -2.763 118 NH2 ARG 14 NH2 ARG 14 -8.899 -4.291 -4.534 119 H ARG 14 HN ARG 14 -2.877 -3.615 -6.499 120 HA ARG 14 HA ARG 14 -3.278 -2.156 -3.960 121 1HB ARG 14 2HB ARG 14 -4.462 -4.288 -3.207 122 2HB ARG 14 3HB ARG 14 -5.347 -3.205 -4.253 123 1HG ARG 14 2HG ARG 14 -4.123 -4.878 -6.077 124 2HG ARG 14 3HG ARG 14 -4.390 -5.972 -4.731 125 1HD ARG 14 2HD ARG 14 -6.514 -4.189 -5.954 126 2HD ARG 14 3HD ARG 14 -6.359 -5.902 -6.274 127 HE ARG 14 HE ARG 14 -6.835 -6.267 -3.823 128 1HH1 ARG 14 2HH ARG 14 -6.679 -4.141 -2.274 129 2HH1 ARG 14 1HH ARG 14 -8.147 -3.223 -2.399 130 1HH2 ARG 14 2HH ARG 14 -9.102 -4.777 -5.387 131 2HH2 ARG 14 1HH ARG 14 -9.535 -3.591 -4.199 132 QB ARG 14 QB ARG 14 -4.904 -3.747 -3.730 133 QG ARG 14 QG ARG 14 -4.256 -5.425 -5.404 134 QD ARG 14 QD ARG 14 -6.436 -5.046 -6.113 135 QH1 ARG 14 QH1 ARG 14 -7.412 -3.682 -2.336 136 QH2 ARG 14 QH2 ARG 14 -9.319 -4.184 -4.793 137 H VAL 15 HN VAL 15 -2.664 -3.220 -2.072 138 HA VAL 15 HA VAL 15 -0.117 -4.763 -2.404 139 HB VAL 15 HB VAL 15 -1.073 -3.373 0.119 140 1HG1 VAL 15 2HG VAL 15 0.864 -4.907 0.240 141 2HG1 VAL 15 3HG VAL 15 1.687 -3.969 -0.993 142 3HG1 VAL 15 1HG VAL 15 1.350 -3.248 0.581 143 1HG2 VAL 15 2HG VAL 15 0.474 -2.085 -2.161 144 2HG2 VAL 15 3HG VAL 15 -1.170 -1.668 -1.678 145 3HG2 VAL 15 1HG VAL 15 0.178 -1.344 -0.594 146 QG1 VAL 15 QG1 VAL 15 1.300 -4.041 -0.058 147 QG2 VAL 15 QG2 VAL 15 -0.172 -1.699 -1.478 148 QQG VAL 15 QQG VAL 15 0.564 -2.870 -0.768 149 H ASN 16 HN ASN 16 0.082 -6.676 -1.050 150 HA ASN 16 HA ASN 16 -2.594 -7.753 -0.321 151 1HB ASN 16 2HB ASN 16 0.101 -9.073 -0.735 152 2HB ASN 16 3HB ASN 16 -1.333 -9.931 -0.201 153 1HD2 ASN 16 2HD ASN 16 -2.233 -10.439 -3.553 154 2HD2 ASN 16 1HD ASN 16 -2.044 -11.082 -1.990 155 QB ASN 16 QB ASN 16 -0.616 -9.501 -0.468 156 QD2 ASN 16 QD2 ASN 16 -2.139 -10.761 -2.771 157 H VAL 17 HN VAL 17 -2.978 -8.636 1.701 158 HA VAL 17 HA VAL 17 -1.079 -7.736 3.808 159 HB VAL 17 HB VAL 17 -4.046 -8.130 4.273 160 1HG1 VAL 17 1HG VAL 17 -2.512 -7.813 6.192 161 2HG1 VAL 17 2HG VAL 17 -1.937 -6.303 5.487 162 3HG1 VAL 17 3HG VAL 17 -3.608 -6.445 6.027 163 1HG2 VAL 17 2HG VAL 17 -2.714 -5.596 3.222 164 2HG2 VAL 17 3HG VAL 17 -3.852 -6.590 2.326 165 3HG2 VAL 17 1HG VAL 17 -4.387 -5.722 3.758 166 QG1 VAL 17 QG1 VAL 17 -2.686 -6.853 5.902 167 QG2 VAL 17 QG2 VAL 17 -3.651 -5.969 3.102 168 QQG VAL 17 QQG VAL 17 -3.168 -6.412 4.502 169 H GLU 18 HN GLU 18 -0.050 -9.781 3.484 170 HA GLU 18 HA GLU 18 -1.385 -12.271 4.038 171 1HB GLU 18 2HB GLU 18 1.488 -11.348 3.931 172 2HB GLU 18 3HB GLU 18 1.118 -12.950 4.555 173 1HG GLU 18 2HG GLU 18 1.560 -12.981 2.091 174 2HG GLU 18 3HG GLU 18 -0.065 -13.527 2.481 175 QB GLU 18 QB GLU 18 1.303 -12.149 4.242 176 QG GLU 18 QG GLU 18 0.747 -13.254 2.286 177 H ASP 19 HN ASP 19 0.731 -10.218 5.995 178 HA ASP 19 HA ASP 19 -0.773 -11.009 8.417 179 1HB ASP 19 2HB ASP 19 1.215 -11.619 9.676 180 2HB ASP 19 3HB ASP 19 1.238 -12.571 8.214 181 QB ASP 19 QB ASP 19 1.226 -12.095 8.945 182 H GLU 20 HN GLU 20 1.017 -9.791 10.165 183 HA GLU 20 HA GLU 20 0.332 -7.046 9.882 184 1HB GLU 20 2HB GLU 20 2.155 -8.616 11.700 185 2HB GLU 20 3HB GLU 20 2.132 -6.873 11.768 186 1HG GLU 20 2HG GLU 20 0.445 -7.281 13.302 187 2HG GLU 20 3HG GLU 20 -0.528 -7.298 11.837 188 QB GLU 20 QB GLU 20 2.144 -7.745 11.734 189 QG GLU 20 QG GLU 20 -0.041 -7.290 12.569 190 H ASN 21 HN ASN 21 3.221 -8.859 9.027 191 HA ASN 21 HA ASN 21 5.140 -6.887 8.708 192 1HB ASN 21 2HB ASN 21 5.336 -9.314 8.022 193 2HB ASN 21 3HB ASN 21 4.464 -8.920 6.553 194 1HD2 ASN 21 2HD ASN 21 7.530 -6.583 5.971 195 2HD2 ASN 21 1HD ASN 21 6.028 -6.129 6.615 196 QB ASN 21 QB ASN 21 4.900 -9.117 7.288 197 QD2 ASN 21 QD2 ASN 21 6.779 -6.357 6.293 198 H ASP 22 HN ASP 22 2.940 -7.717 6.025 199 HA ASP 22 HA ASP 22 3.469 -5.498 4.370 200 1HB ASP 22 2HB ASP 22 1.999 -7.250 3.529 201 2HB ASP 22 3HB ASP 22 0.837 -6.972 4.816 202 QB ASP 22 QB ASP 22 1.419 -7.111 4.172 203 H ILE 23 HN ILE 23 0.807 -5.801 6.680 204 HA ILE 23 HA ILE 23 -0.356 -3.318 6.571 205 HB ILE 23 HB ILE 23 0.393 -4.902 9.064 206 1HG1 ILE 23 2HG ILE 23 -2.105 -4.791 7.340 207 2HG1 ILE 23 3HG ILE 23 -0.953 -6.115 7.397 208 1HG2 ILE 23 3HG ILE 23 -0.175 -2.528 9.617 209 2HG2 ILE 23 1HG ILE 23 -1.692 -2.720 8.747 210 3HG2 ILE 23 2HG ILE 23 -1.392 -3.649 10.206 211 1HD1 ILE 23 3HD ILE 23 -1.516 -6.519 9.771 212 2HD1 ILE 23 1HD ILE 23 -2.672 -5.197 9.722 213 3HD1 ILE 23 2HD ILE 23 -2.939 -6.635 8.749 214 QG1 ILE 23 QG1 ILE 23 -1.529 -5.452 7.368 215 QG2 ILE 23 QG2 ILE 23 -1.086 -2.965 9.524 216 QD1 ILE 23 QD1 ILE 23 -2.376 -6.117 9.414 217 H SER 24 HN SER 24 2.516 -4.128 8.434 218 HA SER 24 HA SER 24 3.006 -1.524 9.493 219 1HB SER 24 2HB SER 24 5.027 -3.713 8.806 220 2HB SER 24 3HB SER 24 5.225 -2.433 10.017 221 HG SER 24 HG SER 24 3.574 -4.713 10.057 222 QB SER 24 QB SER 24 5.126 -3.073 9.412 223 H GLU 25 HN GLU 25 4.579 -3.125 6.666 224 HA GLU 25 HA GLU 25 5.959 -0.807 5.799 225 1HB GLU 25 2HB GLU 25 5.149 -3.375 4.546 226 2HB GLU 25 3HB GLU 25 5.483 -2.087 3.418 227 1HG GLU 25 2HG GLU 25 7.653 -2.819 3.642 228 2HG GLU 25 3HG GLU 25 7.642 -1.817 5.080 229 QB GLU 25 QB GLU 25 5.316 -2.730 3.982 230 QG GLU 25 QG GLU 25 7.647 -2.318 4.362 231 H LEU 26 HN LEU 26 2.699 -1.897 4.615 232 HA LEU 26 HA LEU 26 2.452 0.273 2.823 233 1HB LEU 26 2HB LEU 26 1.077 -1.745 2.643 234 2HB LEU 26 3HB LEU 26 0.436 -1.507 4.258 235 HG LEU 26 HG LEU 26 -0.658 0.492 3.604 236 1HD1 LEU 26 1HD LEU 26 0.594 0.058 0.865 237 2HD1 LEU 26 2HD LEU 26 -0.685 1.224 1.184 238 3HD1 LEU 26 3HD LEU 26 0.881 1.419 1.947 239 1HD2 LEU 26 2HD LEU 26 -1.114 -1.732 1.577 240 2HD2 LEU 26 3HD LEU 26 -1.845 -1.626 3.174 241 3HD2 LEU 26 1HD LEU 26 -2.274 -0.454 1.934 242 QB LEU 26 QB LEU 26 0.756 -1.626 3.451 243 QD1 LEU 26 QD1 LEU 26 0.264 0.901 1.332 244 QD2 LEU 26 QD2 LEU 26 -1.744 -1.271 2.228 245 QQD LEU 26 QQD LEU 26 -0.740 -0.185 1.780 246 H HIS 27 HN HIS 27 1.544 -0.142 6.240 247 HA HIS 27 HA HIS 27 0.181 2.313 6.681 248 1HB HIS 27 2HB HIS 27 1.984 0.578 8.345 249 2HB HIS 27 3HB HIS 27 1.620 2.159 8.959 250 HD1 HIS 27 HD1 HIS 27 -0.476 -0.524 7.409 251 HD2 HIS 27 HD2 HIS 27 -0.478 1.815 10.784 252 HE1 HIS 27 HE1 HIS 27 -2.693 -0.911 8.568 253 QB HIS 27 QB HIS 27 1.801 1.369 8.652 254 H GLU 28 HN GLU 28 3.562 1.523 6.919 255 HA GLU 28 HA GLU 28 4.790 3.996 7.355 256 1HB GLU 28 2HB GLU 28 5.671 1.501 7.077 257 2HB GLU 28 3HB GLU 28 5.968 2.002 5.426 258 1HG GLU 28 2HG GLU 28 7.535 3.646 6.072 259 2HG GLU 28 3HG GLU 28 6.990 3.632 7.745 260 QB GLU 28 QB GLU 28 5.819 1.752 6.252 261 QG GLU 28 QG GLU 28 7.263 3.639 6.908 262 H LEU 29 HN LEU 29 3.316 2.746 4.489 263 HA LEU 29 HA LEU 29 3.993 5.264 3.043 264 1HB LEU 29 2HB LEU 29 5.167 3.138 2.189 265 2HB LEU 29 3HB LEU 29 3.587 2.561 1.727 266 HG LEU 29 HG LEU 29 3.236 4.468 0.229 267 1HD1 LEU 29 2HD LEU 29 5.998 5.378 1.131 268 2HD1 LEU 29 3HD LEU 29 5.078 6.087 -0.190 269 3HD1 LEU 29 1HD LEU 29 4.484 6.215 1.456 270 1HD2 LEU 29 2HD LEU 29 4.467 2.495 -0.649 271 2HD2 LEU 29 3HD LEU 29 5.002 3.986 -1.413 272 3HD2 LEU 29 1HD LEU 29 5.982 3.250 -0.163 273 QB LEU 29 QB LEU 29 4.377 2.849 1.958 274 QD1 LEU 29 QD1 LEU 29 5.187 5.893 0.799 275 QD2 LEU 29 QD2 LEU 29 5.150 3.244 -0.742 276 QQD LEU 29 QQD LEU 29 5.169 4.568 0.029 277 H ALA 30 HN ALA 30 1.734 5.348 4.463 278 HA ALA 30 HA ALA 30 -0.402 4.922 2.397 279 1HB ALA 30 3HB ALA 30 -0.655 4.750 5.435 280 2HB ALA 30 1HB ALA 30 -1.992 4.583 4.296 281 3HB ALA 30 2HB ALA 30 -0.694 3.390 4.320 282 QB ALA 30 QB ALA 30 -1.114 4.242 4.684 283 H SER 31 HN SER 31 -1.454 6.498 5.221 284 HA SER 31 HA SER 31 -1.722 9.008 3.723 285 1HB SER 31 2HB SER 31 -2.766 9.578 6.139 286 2HB SER 31 3HB SER 31 -3.647 8.632 4.929 287 HG SER 31 HG SER 31 -3.608 7.340 6.735 288 QB SER 31 QB SER 31 -3.207 9.106 5.535 289 H THR 32 HN THR 32 0.677 8.852 3.785 290 HA THR 32 HA THR 32 1.734 10.520 6.034 291 HB THR 32 HB THR 32 2.865 8.493 6.468 292 HG1 THR 32 1HG THR 32 4.241 10.410 5.462 293 1HG2 THR 32 1HG THR 32 1.992 7.288 4.432 294 2HG2 THR 32 2HG THR 32 3.206 8.112 3.463 295 3HG2 THR 32 3HG THR 32 3.694 6.986 4.724 296 QG2 THR 32 QG2 THR 32 2.964 7.462 4.206 297 NH1 ARG 33 NH2 ARG 33 6.139 7.711 4.270 298 NH2 ARG 33 NH1 ARG 33 7.969 7.002 3.091 299 H ARG 33 HN ARG 33 2.039 9.660 2.637 300 HA ARG 33 HA ARG 33 3.261 12.339 2.134 301 1HB ARG 33 2HB ARG 33 3.776 9.742 0.611 302 2HB ARG 33 3HB ARG 33 4.555 11.297 0.308 303 1HG ARG 33 2HG ARG 33 5.645 11.276 2.464 304 2HG ARG 33 3HG ARG 33 4.682 9.919 3.018 305 1HD ARG 33 2HD ARG 33 5.790 8.463 1.298 306 2HD ARG 33 3HD ARG 33 6.812 9.833 0.854 307 HE ARG 33 HE ARG 33 7.827 9.737 3.103 308 1HH1 ARG 33 2HH ARG 33 5.486 8.454 4.484 309 2HH1 ARG 33 1HH ARG 33 6.042 6.820 4.733 310 1HH2 ARG 33 2HH ARG 33 8.685 7.198 2.415 311 2HH2 ARG 33 1HH ARG 33 7.930 6.097 3.524 312 QB ARG 33 QB ARG 33 4.166 10.519 0.460 313 QG ARG 33 QG ARG 33 5.164 10.598 2.741 314 QD ARG 33 QD ARG 33 6.301 9.148 1.076 315 QH1 ARG 33 QH2 ARG 33 5.763 7.637 4.609 316 QH2 ARG 33 QH1 ARG 33 8.308 6.647 2.969 317 H GLN 34 HN GLN 34 2.940 12.560 -0.547 318 HA GLN 34 HA GLN 34 0.035 12.830 -0.773 319 1HB GLN 34 2HB GLN 34 2.078 13.330 -2.962 320 2HB GLN 34 3HB GLN 34 0.458 13.996 -2.835 321 1HG GLN 34 2HG GLN 34 1.643 15.800 -2.003 322 2HG GLN 34 3HG GLN 34 1.422 14.917 -0.497 323 1HE2 GLN 34 2HE GLN 34 5.126 15.189 -2.152 324 2HE2 GLN 34 1HE GLN 34 3.767 15.772 -2.981 325 QB GLN 34 QB GLN 34 1.269 13.663 -2.898 326 QG GLN 34 QG GLN 34 1.532 15.358 -1.250 327 QE2 GLN 34 QE2 GLN 34 4.446 15.480 -2.566 328 H ILE 35 HN ILE 35 0.202 10.278 -0.501 329 HA ILE 35 HA ILE 35 -0.002 9.106 -3.251 330 HB ILE 35 HB ILE 35 1.869 8.158 -1.963 331 1HG1 ILE 35 2HG ILE 35 0.338 6.720 -3.459 332 2HG1 ILE 35 3HG ILE 35 1.474 5.908 -2.399 333 1HG2 ILE 35 1HG ILE 35 1.073 8.589 0.309 334 2HG2 ILE 35 2HG ILE 35 -0.183 7.381 0.133 335 3HG2 ILE 35 3HG ILE 35 1.503 6.897 0.120 336 1HD1 ILE 35 3HD ILE 35 -1.471 6.323 -1.801 337 2HD1 ILE 35 1HD ILE 35 -0.736 4.817 -2.316 338 3HD1 ILE 35 2HD ILE 35 -0.323 5.504 -0.755 339 QG1 ILE 35 QG1 ILE 35 0.906 6.314 -2.929 340 QG2 ILE 35 QG2 ILE 35 0.798 7.623 0.187 341 QD1 ILE 35 QD1 ILE 35 -0.843 5.548 -1.623 342 H ASP 36 HN ASP 36 -2.123 9.291 -3.673 343 HA ASP 36 HA ASP 36 -4.235 9.427 -1.838 344 1HB ASP 36 2HB ASP 36 -4.475 8.207 -4.600 345 2HB ASP 36 3HB ASP 36 -5.741 9.015 -3.684 346 QB ASP 36 QB ASP 36 -5.108 8.611 -4.142 347 H PHE 37 HN PHE 37 -5.896 8.072 -1.335 348 HA PHE 37 HA PHE 37 -5.219 5.167 -1.212 349 1HB PHE 37 2HB PHE 37 -5.399 6.983 0.917 350 2HB PHE 37 3HB PHE 37 -6.976 6.207 0.911 351 HD1 PHE 37 1HD PHE 37 -3.331 5.590 1.147 352 HD2 PHE 37 2HD PHE 37 -7.223 3.887 1.525 353 HE1 PHE 37 1HE PHE 37 -2.355 3.596 2.204 354 HE2 PHE 37 2HE PHE 37 -6.244 1.898 2.570 355 HZ PHE 37 HZ PHE 37 -3.813 1.764 2.940 356 QB PHE 37 QB PHE 37 -6.188 6.595 0.915 357 QR PHE 37 QR PHE 37 -4.789 3.742 1.862 358 CH2 TRP 38 CH2 TRP 38 -11.318 4.229 -8.448 359 H TRP 38 HN TRP 38 -6.961 3.793 -1.676 360 HA TRP 38 HA TRP 38 -9.497 5.165 -2.510 361 1HB TRP 38 2HB TRP 38 -7.722 3.328 -3.907 362 2HB TRP 38 3HB TRP 38 -9.341 2.690 -3.838 363 HD1 TRP 38 HD1 TRP 38 -8.251 6.400 -4.380 364 HE1 TRP 38 HE1 TRP 38 -9.250 7.238 -6.502 365 HE3 TRP 38 HE3 TRP 38 -10.425 2.154 -5.910 366 HZ2 TRP 38 HZ2 TRP 38 -10.795 6.295 -8.612 367 HZ3 TRP 38 HZ3 TRP 38 -11.703 2.171 -8.034 368 HH2 TRP 38 HH2 TRP 38 -11.873 4.220 -9.376 369 QB TRP 38 QB TRP 38 -8.531 3.009 -3.873 370 H LYS 39 HN LYS 39 -8.353 1.871 -1.686 371 HA LYS 39 HA LYS 39 -10.665 1.702 0.219 372 1HB LYS 39 2HB LYS 39 -9.820 -0.741 -1.343 373 2HB LYS 39 3HB LYS 39 -11.349 -0.423 -0.562 374 1HG LYS 39 2HG LYS 39 -11.683 1.424 -2.349 375 2HG LYS 39 3HG LYS 39 -10.351 0.650 -3.200 376 1HD LYS 39 2HD LYS 39 -11.729 -1.565 -2.781 377 2HD LYS 39 3HD LYS 39 -13.081 -0.466 -2.556 378 1HE LYS 39 2HE LYS 39 -13.161 -1.003 -4.863 379 2HE LYS 39 3HE LYS 39 -12.383 0.575 -4.823 380 1HZ LYS 39 2HZ LYS 39 -10.394 -1.395 -4.571 381 2HZ LYS 39 3HZ LYS 39 -11.371 -1.819 -5.888 382 3HZ LYS 39 1HZ LYS 39 -10.626 -0.304 -5.839 383 QB LYS 39 QB LYS 39 -10.584 -0.582 -0.952 384 QG LYS 39 QG LYS 39 -11.018 1.037 -2.774 385 QD LYS 39 QD LYS 39 -12.405 -1.016 -2.668 386 QE LYS 39 QE LYS 39 -12.772 -0.213 -4.843 387 QZ LYS 39 QZ LYS 39 -10.797 -1.173 -5.433 388 HA PRO 40 HA PRO 40 -11.403 0.034 1.348 389 1HB PRO 40 2HB PRO 40 -11.556 -0.935 3.887 390 2HB PRO 40 3HB PRO 40 -11.184 -1.962 2.501 391 1HG PRO 40 2HG PRO 40 -9.360 -0.925 4.632 392 2HG PRO 40 3HG PRO 40 -9.253 -2.410 3.693 393 1HD PRO 40 2HD PRO 40 -7.796 0.010 3.202 394 2HD PRO 40 3HD PRO 40 -7.882 -1.399 2.122 395 QB PRO 40 QB PRO 40 -11.370 -1.449 3.194 396 QG PRO 40 QG PRO 40 -9.307 -1.667 4.162 397 QD PRO 40 QD PRO 40 -7.838 -0.694 2.662 398 H ASP 41 HN ASP 41 -9.785 0.907 4.430 399 HA ASP 41 HA ASP 41 -11.539 3.287 4.535 400 1HB ASP 41 2HB ASP 41 -10.435 1.877 6.986 401 2HB ASP 41 3HB ASP 41 -11.929 2.798 6.817 402 QB ASP 41 QB ASP 41 -11.182 2.338 6.901 403 H SER 42 HN SER 42 -9.775 3.415 7.079 404 HA SER 42 HA SER 42 -7.699 5.169 5.837 405 1HB SER 42 2HB SER 42 -8.794 5.144 8.690 406 2HB SER 42 3HB SER 42 -7.551 6.255 8.088 407 HG SER 42 HG SER 42 -9.201 7.386 7.401 408 QB SER 42 QB SER 42 -8.173 5.700 8.388 409 H VAL 43 HN VAL 43 -7.147 2.643 5.603 410 HA VAL 43 HA VAL 43 -5.818 0.799 6.273 411 HB VAL 43 HB VAL 43 -4.540 2.532 4.995 412 1HG1 VAL 43 1HG VAL 43 -3.522 3.328 7.735 413 2HG1 VAL 43 2HG VAL 43 -2.846 3.887 6.212 414 3HG1 VAL 43 3HG VAL 43 -4.488 4.327 6.653 415 1HG2 VAL 43 3HG VAL 43 -3.517 0.326 5.463 416 2HG2 VAL 43 1HG VAL 43 -2.302 1.596 5.429 417 3HG2 VAL 43 2HG VAL 43 -2.858 0.955 6.965 418 QG1 VAL 43 QG1 VAL 43 -3.619 3.848 6.867 419 QG2 VAL 43 QG2 VAL 43 -2.892 0.959 5.953 420 QQG VAL 43 QQG VAL 43 -3.255 2.403 6.410 421 H THR 44 HN THR 44 -7.241 1.755 8.601 422 HA THR 44 HA THR 44 -5.205 1.189 10.723 423 HB THR 44 HB THR 44 -7.270 2.346 12.116 424 HG1 THR 44 1HG THR 44 -7.141 3.897 9.794 425 1HG2 THR 44 3HG THR 44 -5.183 3.864 10.460 426 2HG2 THR 44 1HG THR 44 -6.001 4.477 11.898 427 3HG2 THR 44 2HG THR 44 -4.861 3.142 12.033 428 QG2 THR 44 QG2 THR 44 -5.349 3.827 11.464 429 H GLN 45 HN GLN 45 -8.027 -0.026 9.263 430 HA GLN 45 HA GLN 45 -8.310 -2.014 11.494 431 1HB GLN 45 2HB GLN 45 -10.388 -0.574 9.866 432 2HB GLN 45 3HB GLN 45 -10.745 -2.206 10.419 433 1HG GLN 45 2HG GLN 45 -9.636 -0.164 12.357 434 2HG GLN 45 3HG GLN 45 -11.354 -0.176 11.974 435 1HE2 GLN 45 2HE GLN 45 -11.659 -2.524 14.606 436 2HE2 GLN 45 1HE GLN 45 -11.991 -0.944 14.079 437 QB GLN 45 QB GLN 45 -10.566 -1.390 10.142 438 QG GLN 45 QG GLN 45 -10.495 -0.170 12.166 439 QE2 GLN 45 QE2 GLN 45 -11.825 -1.734 14.342 440 H ILE 46 HN ILE 46 -7.057 -1.740 8.576 441 HA ILE 46 HA ILE 46 -8.145 -3.857 7.027 442 HB ILE 46 HB ILE 46 -5.698 -2.274 7.049 443 1HG1 ILE 46 2HG ILE 46 -7.558 -1.930 5.529 444 2HG1 ILE 46 3HG ILE 46 -5.996 -2.094 4.727 445 1HG2 ILE 46 3HG ILE 46 -5.448 -5.056 5.958 446 2HG2 ILE 46 1HG ILE 46 -4.313 -3.749 5.630 447 3HG2 ILE 46 2HG ILE 46 -4.502 -4.364 7.266 448 1HD1 ILE 46 2HD ILE 46 -6.459 -4.486 4.357 449 2HD1 ILE 46 3HD ILE 46 -8.036 -4.292 5.115 450 3HD1 ILE 46 1HD ILE 46 -7.667 -3.468 3.603 451 QG1 ILE 46 QG1 ILE 46 -6.777 -2.012 5.127 452 QG2 ILE 46 QG2 ILE 46 -4.754 -4.390 6.284 453 QD1 ILE 46 QD1 ILE 46 -7.387 -4.082 4.358 454 H LYS 47 HN LYS 47 -7.590 -6.076 6.904 455 HA LYS 47 HA LYS 47 -6.142 -7.115 9.312 456 1HB LYS 47 2HB LYS 47 -8.433 -8.419 7.786 457 2HB LYS 47 3HB LYS 47 -7.612 -9.114 9.168 458 1HG LYS 47 2HG LYS 47 -9.196 -6.513 9.191 459 2HG LYS 47 3HG LYS 47 -9.752 -8.050 9.839 460 1HD LYS 47 2HD LYS 47 -7.674 -8.019 11.350 461 2HD LYS 47 3HD LYS 47 -7.444 -6.348 10.850 462 1HE LYS 47 2HE LYS 47 -9.949 -7.450 12.177 463 2HE LYS 47 3HE LYS 47 -8.699 -6.520 12.993 464 1HZ LYS 47 3HZ LYS 47 -9.516 -5.076 10.728 465 2HZ LYS 47 1HZ LYS 47 -10.910 -5.560 11.571 466 3HZ LYS 47 2HZ LYS 47 -9.716 -4.654 12.366 467 QB LYS 47 QB LYS 47 -8.023 -8.767 8.477 468 QG LYS 47 QG LYS 47 -9.474 -7.282 9.516 469 QD LYS 47 QD LYS 47 -7.559 -7.183 11.100 470 QE LYS 47 QE LYS 47 -9.323 -6.985 12.586 471 QZ LYS 47 QZ LYS 47 -10.048 -5.097 11.555 472 HA PRO 48 HA PRO 48 -3.790 -9.764 6.455 473 1HB PRO 48 2HB PRO 48 -4.622 -11.953 8.322 474 2HB PRO 48 3HB PRO 48 -3.020 -11.563 7.699 475 1HG PRO 48 2HG PRO 48 -3.712 -10.939 10.249 476 2HG PRO 48 3HG PRO 48 -2.651 -9.885 9.305 477 1HD PRO 48 2HD PRO 48 -5.550 -9.510 9.988 478 2HD PRO 48 3HD PRO 48 -4.281 -8.287 9.745 479 QB PRO 48 QB PRO 48 -3.821 -11.759 8.010 480 QG PRO 48 QG PRO 48 -3.181 -10.413 9.777 481 QD PRO 48 QD PRO 48 -4.915 -8.899 9.866 482 H HIS 49 HN HIS 49 -4.298 -11.463 4.974 483 HA HIS 49 HA HIS 49 -5.687 -12.719 3.537 484 1HB HIS 49 2HB HIS 49 -7.980 -12.345 5.458 485 2HB HIS 49 3HB HIS 49 -7.705 -13.654 4.347 486 HD1 HIS 49 HD1 HIS 49 -5.225 -14.835 4.992 487 HD2 HIS 49 HD2 HIS 49 -7.414 -13.196 8.063 488 HE1 HIS 49 HE1 HIS 49 -4.351 -15.861 7.118 489 QB HIS 49 QB HIS 49 -7.842 -13.000 4.903 490 H SER 50 HN SER 50 -5.323 -9.983 3.305 491 HA SER 50 HA SER 50 -7.719 -9.201 1.759 492 1HB SER 50 2HB SER 50 -8.156 -8.262 4.003 493 2HB SER 50 3HB SER 50 -6.551 -7.508 4.004 494 HG SER 50 HG SER 50 -8.542 -6.308 3.169 495 QB SER 50 QB SER 50 -7.353 -7.884 4.003 496 H THR 51 HN THR 51 -7.209 -6.913 0.755 497 HA THR 51 HA THR 51 -4.366 -6.487 0.171 498 HB THR 51 HB THR 51 -4.774 -6.326 -2.255 499 HG1 THR 51 1HG THR 51 -7.289 -6.153 -1.339 500 1HG2 THR 51 2HG THR 51 -4.410 -8.699 -1.459 501 2HG2 THR 51 3HG THR 51 -6.156 -8.858 -1.308 502 3HG2 THR 51 1HG THR 51 -5.429 -8.601 -2.889 503 QG2 THR 51 QG2 THR 51 -5.332 -8.719 -1.886 504 H VAL 52 HN VAL 52 -4.017 -4.179 -0.359 505 HA VAL 52 HA VAL 52 -6.464 -2.539 0.276 506 HB VAL 52 HB VAL 52 -3.532 -1.807 0.561 507 1HG1 VAL 52 3HG VAL 52 -6.053 -0.428 1.540 508 2HG1 VAL 52 1HG VAL 52 -4.417 0.056 1.949 509 3HG1 VAL 52 2HG VAL 52 -4.981 0.181 0.289 510 1HG2 VAL 52 3HG VAL 52 -5.575 -2.691 2.631 511 2HG2 VAL 52 1HG VAL 52 -4.170 -3.615 2.109 512 3HG2 VAL 52 2HG VAL 52 -3.955 -2.117 3.009 513 QG1 VAL 52 QG1 VAL 52 -5.151 -0.064 1.259 514 QG2 VAL 52 QG2 VAL 52 -4.566 -2.808 2.582 515 QQG VAL 52 QQG VAL 52 -4.859 -1.436 1.921 516 H ASP 53 HN ASP 53 -6.982 -0.713 -0.993 517 HA ASP 53 HA ASP 53 -5.776 -0.724 -3.745 518 1HB ASP 53 2HB ASP 53 -8.425 0.269 -2.662 519 2HB ASP 53 3HB ASP 53 -7.876 0.673 -4.273 520 QB ASP 53 QB ASP 53 -8.151 0.471 -3.467 521 H PHE 54 HN PHE 54 -4.107 0.713 -3.687 522 HA PHE 54 HA PHE 54 -4.691 3.482 -2.731 523 1HB PHE 54 2HB PHE 54 -2.636 3.658 -1.515 524 2HB PHE 54 3HB PHE 54 -3.371 2.150 -1.006 525 HD1 PHE 54 2HD PHE 54 -2.516 0.594 -3.678 526 HD2 PHE 54 1HD PHE 54 -0.399 2.991 -0.858 527 HE1 PHE 54 2HE PHE 54 -0.447 -0.515 -4.292 528 HE2 PHE 54 1HE PHE 54 1.679 1.869 -1.483 529 HZ PHE 54 HZ PHE 54 1.672 0.121 -3.219 530 QB PHE 54 QB PHE 54 -3.004 2.904 -1.261 531 QR PHE 54 QR PHE 54 -0.420 1.235 -2.578 532 NH1 ARG 55 NH1 ARG 55 0.440 5.353 -8.573 533 NH2 ARG 55 NH2 ARG 55 2.430 4.678 -7.693 534 H ARG 55 HN ARG 55 -2.786 4.959 -3.295 535 HA ARG 55 HA ARG 55 -1.855 6.282 -4.951 536 1HB ARG 55 2HB ARG 55 0.108 5.221 -6.031 537 2HB ARG 55 3HB ARG 55 0.023 4.930 -4.312 538 1HG ARG 55 2HG ARG 55 -0.450 2.693 -4.532 539 2HG ARG 55 3HG ARG 55 -1.265 2.916 -6.079 540 1HD ARG 55 2HD ARG 55 1.699 3.343 -5.769 541 2HD ARG 55 3HD ARG 55 0.988 1.792 -6.227 542 HE ARG 55 HE ARG 55 0.101 2.841 -8.239 543 1HH1 ARG 55 2HH ARG 55 -0.521 5.150 -8.767 544 2HH1 ARG 55 1HH ARG 55 0.807 6.272 -8.790 545 1HH2 ARG 55 2HH ARG 55 2.972 3.957 -7.253 546 2HH2 ARG 55 1HH ARG 55 2.857 5.557 -7.875 547 QB ARG 55 QB ARG 55 0.066 5.075 -5.171 548 QG ARG 55 QG ARG 55 -0.858 2.805 -5.306 549 QD ARG 55 QD ARG 55 1.343 2.568 -5.999 550 QH1 ARG 55 QH1 ARG 55 0.143 5.710 -8.779 551 QH2 ARG 55 QH2 ARG 55 2.915 4.758 -7.565 552 H VAL 56 HN VAL 56 -1.362 6.665 -7.443 553 HA VAL 56 HA VAL 56 -2.545 5.041 -9.330 554 HB VAL 56 HB VAL 56 -4.514 5.199 -8.279 555 1HG1 VAL 56 1HG VAL 56 -3.993 8.214 -8.026 556 2HG1 VAL 56 2HG VAL 56 -5.479 7.448 -7.478 557 3HG1 VAL 56 3HG VAL 56 -3.950 7.048 -6.710 558 1HG2 VAL 56 3HG VAL 56 -4.892 5.704 -10.655 559 2HG2 VAL 56 1HG VAL 56 -6.077 6.555 -9.675 560 3HG2 VAL 56 2HG VAL 56 -4.699 7.429 -10.333 561 QG1 VAL 56 QG1 VAL 56 -4.474 7.570 -7.404 562 QG2 VAL 56 QG2 VAL 56 -5.222 6.563 -10.222 563 QQG VAL 56 QQG VAL 56 -4.848 7.066 -8.813 564 H LYS 57 HN LYS 57 -1.630 8.126 -8.753 565 HA LYS 57 HA LYS 57 -2.038 8.951 -11.590 566 1HB LYS 57 2HB LYS 57 -1.031 10.551 -9.213 567 2HB LYS 57 3HB LYS 57 -1.272 11.196 -10.828 568 1HG LYS 57 2HG LYS 57 -3.509 11.377 -10.575 569 2HG LYS 57 3HG LYS 57 -3.641 9.782 -9.866 570 1HD LYS 57 2HD LYS 57 -4.317 11.589 -8.272 571 2HD LYS 57 3HD LYS 57 -2.987 10.619 -7.672 572 1HE LYS 57 2HE LYS 57 -2.677 13.084 -7.316 573 2HE LYS 57 3HE LYS 57 -1.377 12.347 -8.232 574 1HZ LYS 57 1HZ LYS 57 -3.347 13.194 -10.045 575 2HZ LYS 57 2HZ LYS 57 -3.024 14.484 -8.982 576 3HZ LYS 57 3HZ LYS 57 -1.753 13.769 -9.851 577 QB LYS 57 QB LYS 57 -1.151 10.873 -10.021 578 QG LYS 57 QG LYS 57 -3.575 10.579 -10.221 579 QD LYS 57 QD LYS 57 -3.652 11.105 -7.972 580 QE LYS 57 QE LYS 57 -2.027 12.715 -7.774 581 QZ LYS 57 QZ LYS 57 -2.708 13.816 -9.626 582 H ALA 58 HN ALA 58 0.131 10.761 -11.835 583 HA ALA 58 HA ALA 58 2.311 8.803 -12.327 584 1HB ALA 58 2HB ALA 58 2.016 11.697 -13.247 585 2HB ALA 58 3HB ALA 58 3.317 10.608 -13.716 586 3HB ALA 58 1HB ALA 58 1.666 10.267 -14.216 587 QB ALA 58 QB ALA 58 2.333 10.857 -13.727 588 H GLU 59 HN GLU 59 1.734 11.928 -10.812 589 HA GLU 59 HA GLU 59 4.296 12.487 -9.811 590 1HB GLU 59 2HB GLU 59 2.993 13.737 -7.985 591 2HB GLU 59 3HB GLU 59 2.662 14.191 -9.649 592 1HG GLU 59 2HG GLU 59 0.937 11.983 -8.720 593 2HG GLU 59 3HG GLU 59 0.747 13.453 -7.764 594 QB GLU 59 QB GLU 59 2.827 13.964 -8.816 595 QG GLU 59 QG GLU 59 0.842 12.718 -8.241 596 H ASP 60 HN ASP 60 2.601 9.745 -9.003 597 HA ASP 60 HA ASP 60 4.074 9.537 -6.413 598 1HB ASP 60 2HB ASP 60 2.126 8.126 -5.608 599 2HB ASP 60 3HB ASP 60 1.722 9.814 -5.880 600 QB ASP 60 QB ASP 60 1.924 8.970 -5.744 601 H ILE 61 HN ILE 61 4.787 8.518 -9.172 602 HA ILE 61 HA ILE 61 4.686 5.594 -8.561 603 HB ILE 61 HB ILE 61 5.489 6.871 -11.194 604 1HG1 ILE 61 2HG ILE 61 2.796 5.705 -10.387 605 2HG1 ILE 61 3HG ILE 61 3.129 7.423 -10.522 606 1HG2 ILE 61 1HG ILE 61 4.675 4.032 -10.410 607 2HG2 ILE 61 2HG ILE 61 4.927 4.573 -12.064 608 3HG2 ILE 61 3HG ILE 61 6.272 4.544 -10.957 609 1HD1 ILE 61 2HD ILE 61 3.727 7.108 -12.920 610 2HD1 ILE 61 3HD ILE 61 3.324 5.398 -12.784 611 3HD1 ILE 61 1HD ILE 61 2.075 6.607 -12.579 612 QG1 ILE 61 QG1 ILE 61 2.963 6.564 -10.454 613 QG2 ILE 61 QG2 ILE 61 5.291 4.383 -11.144 614 QD1 ILE 61 QD1 ILE 61 3.042 6.371 -12.761 615 H LEU 62 HN LEU 62 6.618 4.391 -9.247 616 HA LEU 62 HA LEU 62 8.848 3.876 -9.351 617 1HB LEU 62 2HB LEU 62 9.339 6.806 -8.846 618 2HB LEU 62 3HB LEU 62 10.524 5.606 -9.331 619 HG LEU 62 HG LEU 62 8.115 6.416 -10.999 620 1HD1 LEU 62 3HD LEU 62 9.784 8.240 -10.813 621 2HD1 LEU 62 1HD LEU 62 11.060 7.132 -11.303 622 3HD1 LEU 62 2HD LEU 62 9.780 7.560 -12.434 623 1HD2 LEU 62 1HD LEU 62 10.535 4.680 -11.633 624 2HD2 LEU 62 2HD LEU 62 8.886 4.102 -11.418 625 3HD2 LEU 62 3HD LEU 62 9.282 5.137 -12.783 626 QB LEU 62 QB LEU 62 9.931 6.206 -9.088 627 QD1 LEU 62 QD1 LEU 62 10.208 7.644 -11.517 628 QD2 LEU 62 QD2 LEU 62 9.568 4.640 -11.944 629 QQD LEU 62 QQD LEU 62 9.888 6.142 -11.731 630 H ALA 63 HN ALA 63 8.256 6.439 -6.962 631 HA ALA 63 HA ALA 63 9.884 5.069 -4.975 632 1HB ALA 63 2HB ALA 63 9.542 7.521 -4.932 633 2HB ALA 63 3HB ALA 63 7.826 7.280 -4.623 634 3HB ALA 63 1HB ALA 63 9.015 6.788 -3.420 635 QB ALA 63 QB ALA 63 8.794 7.197 -4.325 636 H VAL 64 HN VAL 64 6.423 5.220 -5.641 637 HA VAL 64 HA VAL 64 5.766 3.649 -3.228 638 HB VAL 64 HB VAL 64 3.981 4.329 -5.608 639 1HG1 VAL 64 2HG VAL 64 3.346 3.738 -2.697 640 2HG1 VAL 64 3HG VAL 64 2.162 4.204 -3.909 641 3HG1 VAL 64 1HG VAL 64 3.029 2.675 -4.062 642 1HG2 VAL 64 2HG VAL 64 5.009 6.409 -4.726 643 2HG2 VAL 64 3HG VAL 64 3.288 6.355 -4.371 644 3HG2 VAL 64 1HG VAL 64 4.460 5.995 -3.108 645 QG1 VAL 64 QG1 VAL 64 2.846 3.539 -3.556 646 QG2 VAL 64 QG2 VAL 64 4.252 6.253 -4.068 647 QQG VAL 64 QQG VAL 64 3.549 4.896 -3.813 648 H GLU 65 HN GLU 65 6.703 2.950 -6.403 649 HA GLU 65 HA GLU 65 5.637 0.201 -6.195 650 1HB GLU 65 2HB GLU 65 7.276 1.654 -8.308 651 2HB GLU 65 3HB GLU 65 6.849 -0.049 -8.427 652 1HG GLU 65 2HG GLU 65 5.295 1.540 -9.652 653 2HG GLU 65 3HG GLU 65 4.513 0.442 -8.525 654 QB GLU 65 QB GLU 65 7.062 0.802 -8.367 655 QG GLU 65 QG GLU 65 4.904 0.991 -9.088 656 H ASP 66 HN ASP 66 8.701 1.974 -6.371 657 HA ASP 66 HA ASP 66 10.604 0.017 -5.809 658 1HB ASP 66 2HB ASP 66 11.372 2.303 -6.096 659 2HB ASP 66 3HB ASP 66 10.375 2.871 -4.767 660 QB ASP 66 QB ASP 66 10.874 2.587 -5.433 661 H PHE 67 HN PHE 67 8.856 1.989 -3.471 662 HA PHE 67 HA PHE 67 9.560 0.986 -1.043 663 1HB PHE 67 2HB PHE 67 7.731 2.654 -1.358 664 2HB PHE 67 3HB PHE 67 6.662 1.344 -1.861 665 HD1 PHE 67 2HD PHE 67 9.003 2.241 0.937 666 HD2 PHE 67 1HD PHE 67 5.412 0.232 -0.188 667 HE1 PHE 67 2HE PHE 67 8.638 1.584 3.274 668 HE2 PHE 67 1HE PHE 67 5.050 -0.413 2.153 669 HZ PHE 67 HZ PHE 67 6.646 0.274 3.885 670 QB PHE 67 QB PHE 67 7.196 1.999 -1.610 671 QR PHE 67 QR PHE 67 7.026 0.911 1.544 672 H LEU 68 HN LEU 68 7.068 -0.489 -3.078 673 HA LEU 68 HA LEU 68 6.724 -2.827 -1.456 674 1HB LEU 68 2HB LEU 68 6.427 -2.521 -4.462 675 2HB LEU 68 3HB LEU 68 5.874 -3.925 -3.558 676 HG LEU 68 HG LEU 68 4.970 -1.084 -2.945 677 1HD1 LEU 68 3HD LEU 68 3.619 -3.237 -4.596 678 2HD1 LEU 68 1HD LEU 68 2.885 -1.705 -4.144 679 3HD1 LEU 68 2HD LEU 68 4.276 -1.733 -5.218 680 1HD2 LEU 68 1HD LEU 68 3.844 -3.809 -2.144 681 2HD2 LEU 68 2HD LEU 68 4.712 -2.721 -1.072 682 3HD2 LEU 68 3HD LEU 68 3.150 -2.252 -1.715 683 QB LEU 68 QB LEU 68 6.150 -3.223 -4.010 684 QD1 LEU 68 QD1 LEU 68 3.593 -2.225 -4.652 685 QD2 LEU 68 QD2 LEU 68 3.902 -2.928 -1.644 686 QQD LEU 68 QQD LEU 68 3.748 -2.576 -3.148 687 H GLU 69 HN GLU 69 9.098 -2.222 -4.000 688 HA GLU 69 HA GLU 69 10.100 -4.940 -4.021 689 1HB GLU 69 2HB GLU 69 10.793 -2.345 -5.274 690 2HB GLU 69 3HB GLU 69 12.174 -3.386 -4.988 691 1HG GLU 69 2HG GLU 69 11.227 -3.795 -7.232 692 2HG GLU 69 3HG GLU 69 11.062 -5.219 -6.222 693 QB GLU 69 QB GLU 69 11.483 -2.865 -5.132 694 QG GLU 69 QG GLU 69 11.145 -4.507 -6.728 695 H GLN 70 HN GLN 70 11.513 -1.930 -2.697 696 HA GLN 70 HA GLN 70 13.817 -2.927 -1.521 697 1HB GLN 70 2HB GLN 70 13.499 -1.208 0.322 698 2HB GLN 70 3HB GLN 70 13.383 -0.578 -1.318 699 1HG GLN 70 2HG GLN 70 10.966 -0.589 -1.216 700 2HG GLN 70 3HG GLN 70 10.973 -1.423 0.326 701 1HE2 GLN 70 2HE GLN 70 11.596 2.584 0.202 702 2HE2 GLN 70 1HE GLN 70 11.578 1.682 -1.240 703 QB GLN 70 QB GLN 70 13.441 -0.893 -0.499 704 QG GLN 70 QG GLN 70 10.970 -1.006 -0.445 705 QE2 GLN 70 QE2 GLN 70 11.587 2.132 -0.519 706 H ASN 71 HN ASN 71 10.582 -3.359 -0.202 707 HA ASN 71 HA ASN 71 11.762 -5.005 1.996 708 1HB ASN 71 2HB ASN 71 9.431 -4.559 3.046 709 2HB ASN 71 3HB ASN 71 10.582 -3.233 3.029 710 1HD2 ASN 71 2HD ASN 71 8.270 -1.233 1.320 711 2HD2 ASN 71 1HD ASN 71 9.365 -1.370 2.602 712 QB ASN 71 QB ASN 71 10.006 -3.896 3.038 713 QD2 ASN 71 QD2 ASN 71 8.817 -1.302 1.960 714 H GLU 72 HN GLU 72 11.496 -6.102 -0.509 715 HA GLU 72 HA GLU 72 9.953 -7.423 -1.883 716 1HB GLU 72 2HB GLU 72 10.327 -9.775 -0.889 717 2HB GLU 72 3HB GLU 72 11.748 -8.836 -1.305 718 1HG GLU 72 2HG GLU 72 10.618 -8.738 1.496 719 2HG GLU 72 3HG GLU 72 11.671 -10.053 1.011 720 QB GLU 72 QB GLU 72 11.037 -9.305 -1.098 721 QG GLU 72 QG GLU 72 11.144 -9.395 1.254 722 H LEU 73 HN LEU 73 8.087 -6.125 -1.083 723 HA LEU 73 HA LEU 73 6.281 -7.590 0.740 724 1HB LEU 73 2HB LEU 73 6.688 -4.872 0.086 725 2HB LEU 73 3HB LEU 73 5.137 -5.265 -0.627 726 HG LEU 73 HG LEU 73 4.580 -6.337 1.670 727 1HD1 LEU 73 3HD LEU 73 6.923 -4.560 2.447 728 2HD1 LEU 73 1HD LEU 73 5.839 -5.357 3.578 729 3HD1 LEU 73 2HD LEU 73 6.899 -6.314 2.549 730 1HD2 LEU 73 1HD LEU 73 4.943 -3.328 1.414 731 2HD2 LEU 73 2HD LEU 73 3.550 -4.251 0.859 732 3HD2 LEU 73 3HD LEU 73 3.892 -4.123 2.580 733 QB LEU 73 QB LEU 73 5.913 -5.068 -0.270 734 QD1 LEU 73 QD1 LEU 73 6.554 -5.410 2.858 735 QD2 LEU 73 QD2 LEU 73 4.128 -3.901 1.618 736 QQD LEU 73 QQD LEU 73 5.341 -4.655 2.238 737 H GLN 74 HN GLN 74 3.842 -7.380 -0.229 738 HA GLN 74 HA GLN 74 3.999 -8.622 -2.945 739 1HB GLN 74 2HB GLN 74 2.271 -9.321 -0.563 740 2HB GLN 74 3HB GLN 74 1.878 -9.861 -2.192 741 1HG GLN 74 2HG GLN 74 4.128 -10.921 -2.366 742 2HG GLN 74 3HG GLN 74 4.491 -10.404 -0.721 743 1HE2 GLN 74 2HE GLN 74 1.397 -12.671 0.036 744 2HE2 GLN 74 1HE GLN 74 1.400 -10.992 -0.209 745 QB GLN 74 QB GLN 74 2.074 -9.591 -1.377 746 QG GLN 74 QG GLN 74 4.310 -10.662 -1.544 747 QE2 GLN 74 QE2 GLN 74 1.398 -11.832 -0.086 748 OH TYR 75 OH TYR 75 6.765 -5.931 -7.563 749 H TYR 75 HN TYR 75 2.558 -8.068 -4.422 750 HA TYR 75 HA TYR 75 0.275 -6.340 -3.871 751 1HB TYR 75 2HB TYR 75 1.132 -4.582 -5.518 752 2HB TYR 75 3HB TYR 75 1.964 -4.604 -3.970 753 HD1 TYR 75 HD1 TYR 75 4.185 -6.017 -3.846 754 HD2 TYR 75 HD2 TYR 75 2.394 -4.789 -7.507 755 HE1 TYR 75 HE1 TYR 75 6.323 -6.333 -4.999 756 HE2 TYR 75 HE2 TYR 75 4.531 -5.120 -8.655 757 HH TYR 75 HH TYR 75 7.405 -5.275 -7.225 758 QB TYR 75 QB TYR 75 1.548 -4.593 -4.744 759 QR TYR 75 QR TYR 75 4.358 -5.565 -6.252 760 H GLU 76 HN GLU 76 -1.119 -6.234 -5.723 761 HA GLU 76 HA GLU 76 -0.347 -7.918 -8.063 762 1HB GLU 76 2HB GLU 76 -2.864 -8.288 -6.397 763 2HB GLU 76 3HB GLU 76 -2.587 -9.063 -7.941 764 1HG GLU 76 2HG GLU 76 -0.568 -10.192 -6.984 765 2HG GLU 76 3HG GLU 76 -0.916 -9.450 -5.423 766 QB GLU 76 QB GLU 76 -2.725 -8.675 -7.168 767 QG GLU 76 QG GLU 76 -0.742 -9.821 -6.203 768 H VAL 77 HN VAL 77 -1.963 -7.671 -9.876 769 HA VAL 77 HA VAL 77 -3.352 -5.008 -9.761 770 HB VAL 77 HB VAL 77 -2.015 -6.213 -12.216 771 1HG1 VAL 77 2HG VAL 77 -3.927 -4.701 -12.689 772 2HG1 VAL 77 3HG VAL 77 -3.189 -3.450 -11.693 773 3HG1 VAL 77 1HG VAL 77 -2.409 -3.965 -13.185 774 1HG2 VAL 77 3HG VAL 77 -0.315 -5.516 -10.549 775 2HG2 VAL 77 1HG VAL 77 -0.306 -4.441 -11.941 776 3HG2 VAL 77 2HG VAL 77 -1.066 -3.931 -10.439 777 QG1 VAL 77 QG1 VAL 77 -3.175 -4.038 -12.522 778 QG2 VAL 77 QG2 VAL 77 -0.562 -4.629 -10.977 779 QQG VAL 77 QQG VAL 77 -1.869 -4.334 -11.749 780 H LEU 78 HN LEU 78 -5.542 -5.528 -9.756 781 HA LEU 78 HA LEU 78 -6.414 -7.637 -11.629 782 1HB LEU 78 2HB LEU 78 -7.638 -6.927 -8.925 783 2HB LEU 78 3HB LEU 78 -8.124 -8.247 -9.986 784 HG LEU 78 HG LEU 78 -5.426 -8.747 -9.715 785 1HD1 LEU 78 1HD LEU 78 -5.207 -6.933 -8.013 786 2HD1 LEU 78 2HD LEU 78 -6.423 -7.748 -7.027 787 3HD1 LEU 78 3HD LEU 78 -4.876 -8.523 -7.328 788 1HD2 LEU 78 1HD LEU 78 -7.650 -9.741 -7.898 789 2HD2 LEU 78 2HD LEU 78 -7.222 -10.414 -9.471 790 3HD2 LEU 78 3HD LEU 78 -6.087 -10.522 -8.128 791 QB LEU 78 QB LEU 78 -7.881 -7.587 -9.455 792 QD1 LEU 78 QD1 LEU 78 -5.502 -7.735 -7.456 793 QD2 LEU 78 QD2 LEU 78 -6.986 -10.226 -8.499 794 QQD LEU 78 QQD LEU 78 -6.244 -8.981 -7.977 795 H ILE 79 HN ILE 79 -9.116 -6.831 -10.781 796 HA ILE 79 HA ILE 79 -9.497 -4.812 -12.778 797 HB ILE 79 HB ILE 79 -11.455 -6.005 -10.833 798 1HG1 ILE 79 2HG ILE 79 -11.074 -6.482 -13.820 799 2HG1 ILE 79 3HG ILE 79 -10.490 -7.547 -12.549 800 1HG2 ILE 79 2HG ILE 79 -12.194 -3.736 -11.564 801 2HG2 ILE 79 3HG ILE 79 -12.055 -4.238 -13.247 802 3HG2 ILE 79 1HG ILE 79 -13.247 -4.988 -12.191 803 1HD1 ILE 79 2HD ILE 79 -12.827 -7.852 -11.746 804 2HD1 ILE 79 3HD ILE 79 -13.400 -6.824 -13.055 805 3HD1 ILE 79 1HD ILE 79 -12.640 -8.367 -13.417 806 QG1 ILE 79 QG1 ILE 79 -10.781 -7.014 -13.184 807 QG2 ILE 79 QG2 ILE 79 -12.499 -4.321 -12.334 808 QD1 ILE 79 QD1 ILE 79 -12.956 -7.681 -12.739 809 H ASN 80 HN ASN 80 -9.422 -5.032 -9.702 810 HA ASN 80 HA ASN 80 -8.746 -3.514 -7.970 811 1HB ASN 80 2HB ASN 80 -7.914 -1.892 -9.680 812 2HB ASN 80 3HB ASN 80 -9.557 -1.268 -9.854 813 1HD2 ASN 80 2HD ASN 80 -7.335 0.039 -6.819 814 2HD2 ASN 80 1HD ASN 80 -6.720 -0.709 -8.220 815 QB ASN 80 QB ASN 80 -8.735 -1.580 -9.766 816 QD2 ASN 80 QD2 ASN 80 -7.027 -0.336 -7.519 817 H ASN 81 HN ASN 81 -11.549 -2.111 -9.706 818 HA ASN 81 HA ASN 81 -12.973 -2.163 -7.068 819 1HB ASN 81 2HB ASN 81 -12.452 0.073 -8.321 820 2HB ASN 81 3HB ASN 81 -13.730 -0.416 -9.422 821 1HD2 ASN 81 ASN 81 -15.765 -0.386 -6.070 822 2HD2 ASN 81 1HD ASN 81 -14.968 -1.728 -6.740 823 QB ASN 81 QB ASN 81 -13.091 -0.172 -8.872 824 QD2 ASN 81 QD2 ASN 81 -15.366 -1.057 -6.405 Start of MODEL 12 Raw file had 824 H/Q atoms Start of MODEL 12 1 1H HIS 1 HN3 HIS 1 7.599 15.645 -26.076 2 2H HIS 1 HN1 HIS 1 7.685 15.017 -24.546 3 3H HIS 1 HN2 HIS 1 7.912 14.034 -25.858 4 HA HIS 1 HA HIS 1 5.808 13.564 -25.955 5 1HB HIS 1 2HB HIS 1 5.794 15.440 -23.596 6 2HB HIS 1 3HB HIS 1 4.284 14.837 -24.217 7 HD1 HIS 1 HD1 HIS 1 4.358 12.116 -24.496 8 HD2 HIS 1 HD2 HIS 1 6.793 13.723 -21.585 9 HE1 HIS 1 HE1 HIS 1 4.928 10.238 -22.915 10 QB HIS 1 QB HIS 1 5.039 15.139 -23.907 11 H HIS 2 HN HIS 2 3.485 14.772 -26.106 12 HA HIS 2 HA HIS 2 3.907 16.894 -28.141 13 1HB HIS 2 2HB HIS 2 1.478 15.239 -27.407 14 2HB HIS 2 3HB HIS 2 1.493 16.442 -28.668 15 HD1 HIS 2 HD1 HIS 2 3.057 13.157 -27.821 16 HD2 HIS 2 HD2 HIS 2 2.445 15.498 -31.159 17 HE1 HIS 2 HE1 HIS 2 3.766 11.787 -29.794 18 QB HIS 2 QB HIS 2 1.485 15.840 -28.037 19 H SER 3 HN SER 3 0.820 16.796 -26.591 20 HA SER 3 HA SER 3 1.429 19.371 -25.182 21 1HB SER 3 2HB SER 3 -1.046 19.883 -25.694 22 2HB SER 3 3HB SER 3 0.018 19.837 -27.115 23 HG SER 3 HG SER 3 -1.464 18.374 -27.690 24 QB SER 3 QB SER 3 -0.513 19.860 -26.405 25 H GLY 4 HN GLY 4 -1.025 16.853 -25.339 26 1HA GLY 4 1HA GLY 4 -1.061 16.714 -22.333 27 2HA GLY 4 2HA GLY 4 -2.511 16.518 -23.321 28 QA GLY 4 QA GLY 4 -1.786 16.616 -22.827 29 H GLU 5 HN GLU 5 0.767 15.237 -23.117 30 HA GLU 5 HA GLU 5 -0.298 12.495 -23.684 31 1HB GLU 5 2HB GLU 5 1.054 13.582 -25.494 32 2HB GLU 5 3HB GLU 5 2.397 13.703 -24.375 33 1HG GLU 5 2HG GLU 5 2.465 11.206 -24.211 34 2HG GLU 5 3HG GLU 5 1.134 11.115 -25.367 35 QB GLU 5 QB GLU 5 1.726 13.642 -24.934 36 QG GLU 5 QG GLU 5 1.800 11.160 -24.789 37 H HIS 6 HN HIS 6 1.079 10.769 -22.816 38 HA HIS 6 HA HIS 6 2.773 11.410 -20.490 39 1HB HIS 6 2HB HIS 6 -0.019 10.535 -20.299 40 2HB HIS 6 3HB HIS 6 1.047 9.416 -19.500 41 HD1 HIS 6 HD1 HIS 6 1.324 13.130 -19.610 42 HD2 HIS 6 HD2 HIS 6 0.733 10.169 -16.803 43 HE1 HIS 6 HE1 HIS 6 1.292 14.267 -17.364 44 QB HIS 6 QB HIS 6 0.514 9.975 -19.900 45 H PHE 7 HN PHE 7 3.092 8.962 -19.428 46 HA PHE 7 HA PHE 7 3.869 7.256 -21.767 47 1HB PHE 7 2HB PHE 7 5.766 6.473 -20.536 48 2HB PHE 7 3HB PHE 7 5.753 8.210 -20.290 49 HD1 PHE 7 2HD PHE 7 5.148 9.149 -18.084 50 HD2 PHE 7 1HD PHE 7 5.236 4.940 -18.704 51 HE1 PHE 7 2HE PHE 7 5.144 8.792 -15.663 52 HE2 PHE 7 1HE PHE 7 5.235 4.583 -16.274 53 HZ PHE 7 HZ PHE 7 5.197 6.515 -14.747 54 QB PHE 7 QB PHE 7 5.760 7.342 -20.413 55 QR PHE 7 QR PHE 7 5.191 6.866 -17.181 56 H GLU 8 HN GLU 8 2.767 7.295 -18.420 57 HA GLU 8 HA GLU 8 0.939 5.046 -19.008 58 1HB GLU 8 2HB GLU 8 3.119 4.186 -17.962 59 2HB GLU 8 3HB GLU 8 2.667 5.078 -16.514 60 1HG GLU 8 2HG GLU 8 0.474 3.825 -16.517 61 2HG GLU 8 3HG GLU 8 1.077 2.862 -17.858 62 QB GLU 8 QB GLU 8 2.893 4.632 -17.239 63 QG GLU 8 QG GLU 8 0.776 3.344 -17.188 64 H GLY 9 HN GLY 9 -0.869 5.032 -17.535 65 1HA GLY 9 1HA GLY 9 -1.066 7.372 -15.685 66 2HA GLY 9 2HA GLY 9 -2.308 7.161 -16.916 67 QA GLY 9 QA GLY 9 -1.688 7.267 -16.300 68 H GLU 10 HN GLU 10 -3.279 4.945 -16.927 69 HA GLU 10 HA GLU 10 -4.501 4.382 -14.425 70 1HB GLU 10 2HB GLU 10 -4.343 2.770 -16.997 71 2HB GLU 10 3HB GLU 10 -5.398 2.360 -15.654 72 1HG GLU 10 2HG GLU 10 -6.807 3.636 -17.063 73 2HG GLU 10 3HG GLU 10 -6.281 4.812 -15.872 74 QB GLU 10 QB GLU 10 -4.870 2.565 -16.326 75 QG GLU 10 QG GLU 10 -6.544 4.223 -16.468 76 H LYS 11 HN LYS 11 -2.609 4.157 -13.057 77 HA LYS 11 HA LYS 11 -1.378 1.418 -13.286 78 1HB LYS 11 2HB LYS 11 0.040 3.249 -13.794 79 2HB LYS 11 3HB LYS 11 -0.190 3.866 -12.178 80 1HG LYS 11 2HG LYS 11 0.756 1.715 -11.308 81 2HG LYS 11 3HG LYS 11 1.096 1.237 -12.963 82 1HD LYS 11 2HD LYS 11 2.311 3.601 -13.074 83 2HD LYS 11 3HD LYS 11 2.359 3.431 -11.330 84 1HE LYS 11 2HE LYS 11 4.421 2.544 -12.297 85 2HE LYS 11 3HE LYS 11 3.491 1.222 -11.593 86 1HZ LYS 11 1HZ LYS 11 2.604 1.561 -14.197 87 2HZ LYS 11 2HZ LYS 11 4.277 1.584 -14.286 88 3HZ LYS 11 3HZ LYS 11 3.488 0.255 -13.577 89 QB LYS 11 QB LYS 11 -0.075 3.557 -12.986 90 QG LYS 11 QG LYS 11 0.926 1.476 -12.135 91 QD LYS 11 QD LYS 11 2.335 3.516 -12.201 92 QE LYS 11 QE LYS 11 3.956 1.882 -11.945 93 QZ LYS 11 QZ LYS 11 3.457 1.134 -14.020 94 H VAL 12 HN VAL 12 -2.598 0.722 -12.227 95 HA VAL 12 HA VAL 12 -3.342 1.473 -9.428 96 HB VAL 12 HB VAL 12 -5.265 1.018 -10.891 97 1HG1 VAL 12 1HG VAL 12 -4.093 -1.758 -11.184 98 2HG1 VAL 12 2HG VAL 12 -5.665 -1.243 -11.782 99 3HG1 VAL 12 3HG VAL 12 -4.195 -0.550 -12.455 100 1HG2 VAL 12 2HG VAL 12 -4.861 -1.132 -8.784 101 2HG2 VAL 12 3HG VAL 12 -5.499 0.485 -8.510 102 3HG2 VAL 12 1HG VAL 12 -6.407 -0.668 -9.479 103 QG1 VAL 12 QG1 VAL 12 -4.651 -1.184 -11.807 104 QG2 VAL 12 QG2 VAL 12 -5.589 -0.438 -8.925 105 QQG VAL 12 QQG VAL 12 -5.119 -0.811 -10.366 106 H PHE 13 HN PHE 13 -3.155 0.166 -7.754 107 HA PHE 13 HA PHE 13 -1.442 -2.249 -8.074 108 1HB PHE 13 2HB PHE 13 -1.216 -0.352 -5.732 109 2HB PHE 13 3HB PHE 13 -0.071 -1.585 -6.249 110 HD1 PHE 13 1HD PHE 13 -1.437 1.775 -7.026 111 HD2 PHE 13 2HD PHE 13 1.444 -1.182 -8.073 112 HE1 PHE 13 1HE PHE 13 -0.300 3.391 -8.481 113 HE2 PHE 13 2HE PHE 13 2.600 0.456 -9.482 114 HZ PHE 13 HZ PHE 13 1.812 2.758 -9.585 115 QB PHE 13 QB PHE 13 -0.643 -0.968 -5.990 116 QR PHE 13 QR PHE 13 0.577 1.110 -8.266 117 NH1 ARG 14 NH2 ARG 14 -8.051 -8.551 -6.862 118 NH2 ARG 14 NH1 ARG 14 -6.045 -9.435 -7.530 119 H ARG 14 HN ARG 14 -1.995 -3.894 -6.769 120 HA ARG 14 HA ARG 14 -4.218 -3.473 -4.819 121 1HB ARG 14 2HB ARG 14 -5.124 -4.630 -6.795 122 2HB ARG 14 3HB ARG 14 -3.827 -5.821 -6.711 123 1HG ARG 14 2HG ARG 14 -4.682 -6.829 -4.784 124 2HG ARG 14 3HG ARG 14 -5.511 -5.362 -4.261 125 1HD ARG 14 2HD ARG 14 -7.116 -7.066 -5.045 126 2HD ARG 14 3HD ARG 14 -7.169 -5.630 -6.066 127 HE ARG 14 HE ARG 14 -5.546 -6.986 -7.605 128 1HH1 ARG 14 2HH ARG 14 -8.545 -7.742 -6.549 129 2HH1 ARG 14 1HH ARG 14 -8.532 -9.415 -6.984 130 1HH2 ARG 14 2HH ARG 14 -5.060 -9.282 -7.690 131 2HH2 ARG 14 1HH ARG 14 -6.432 -10.332 -7.694 132 QB ARG 14 QB ARG 14 -4.476 -5.226 -6.753 133 QG ARG 14 QG ARG 14 -5.097 -6.095 -4.522 134 QD ARG 14 QD ARG 14 -7.142 -6.349 -5.555 135 QH1 ARG 14 QH2 ARG 14 -8.538 -8.579 -6.766 136 QH2 ARG 14 QH1 ARG 14 -5.746 -9.807 -7.692 137 H VAL 15 HN VAL 15 -3.283 -3.832 -2.879 138 HA VAL 15 HA VAL 15 -1.046 -5.787 -2.753 139 HB VAL 15 HB VAL 15 -1.990 -3.494 -1.036 140 1HG1 VAL 15 3HG VAL 15 0.097 -5.551 -0.222 141 2HG1 VAL 15 1HG VAL 15 -0.254 -4.056 0.635 142 3HG1 VAL 15 2HG VAL 15 -1.464 -5.325 0.561 143 1HG2 VAL 15 3HG VAL 15 -0.465 -3.058 -2.929 144 2HG2 VAL 15 1HG VAL 15 0.339 -2.740 -1.392 145 3HG2 VAL 15 2HG VAL 15 0.673 -4.223 -2.270 146 QG1 VAL 15 QG1 VAL 15 -0.540 -4.977 0.324 147 QG2 VAL 15 QG2 VAL 15 0.183 -3.341 -2.197 148 QQG VAL 15 QQG VAL 15 -0.179 -4.158 -0.936 149 H ASN 16 HN ASN 16 -1.049 -7.378 -1.111 150 HA ASN 16 HA ASN 16 -3.777 -8.218 -0.232 151 1HB ASN 16 2HB ASN 16 -1.281 -9.871 -0.764 152 2HB ASN 16 3HB ASN 16 -2.792 -10.500 -0.155 153 1HD2 ASN 16 2HD ASN 16 -2.357 -10.450 -4.042 154 2HD2 ASN 16 1HD ASN 16 -1.106 -10.508 -2.904 155 QB ASN 16 QB ASN 16 -2.036 -10.186 -0.460 156 QD2 ASN 16 QD2 ASN 16 -1.731 -10.479 -3.473 157 H VAL 17 HN VAL 17 -3.846 -7.455 1.867 158 HA VAL 17 HA VAL 17 -1.515 -7.173 3.519 159 HB VAL 17 HB VAL 17 -4.294 -7.600 4.652 160 1HG1 VAL 17 2HG VAL 17 -2.381 -7.170 6.178 161 2HG1 VAL 17 3HG VAL 17 -2.047 -5.667 5.318 162 3HG1 VAL 17 1HG VAL 17 -3.552 -5.855 6.217 163 1HG2 VAL 17 2HG VAL 17 -3.309 -5.095 3.226 164 2HG2 VAL 17 3HG VAL 17 -4.623 -6.132 2.683 165 3HG2 VAL 17 1HG VAL 17 -4.792 -5.210 4.163 166 QG1 VAL 17 QG1 VAL 17 -2.660 -6.230 5.905 167 QG2 VAL 17 QG2 VAL 17 -4.242 -5.479 3.358 168 QQG VAL 17 QQG VAL 17 -3.450 -5.855 4.632 169 H GLU 18 HN GLU 18 -0.537 -9.282 3.071 170 HA GLU 18 HA GLU 18 -1.622 -11.808 3.536 171 1HB GLU 18 2HB GLU 18 1.202 -10.833 4.069 172 2HB GLU 18 3HB GLU 18 0.737 -12.511 4.000 173 1HG GLU 18 2HG GLU 18 0.426 -10.574 1.686 174 2HG GLU 18 3HG GLU 18 1.746 -11.726 1.853 175 QB GLU 18 QB GLU 18 0.970 -11.672 4.035 176 QG GLU 18 QG GLU 18 1.086 -11.150 1.769 177 H ASP 19 HN ASP 19 0.409 -10.020 5.809 178 HA ASP 19 HA ASP 19 -1.122 -11.177 8.066 179 1HB ASP 19 2HB ASP 19 0.887 -11.923 9.180 180 2HB ASP 19 3HB ASP 19 1.042 -12.506 7.533 181 QB ASP 19 QB ASP 19 0.964 -12.214 8.357 182 H GLU 20 HN GLU 20 1.268 -9.899 9.582 183 HA GLU 20 HA GLU 20 0.103 -7.253 9.856 184 1HB GLU 20 2HB GLU 20 2.490 -8.655 11.123 185 2HB GLU 20 3HB GLU 20 1.880 -7.097 11.611 186 1HG GLU 20 2HG GLU 20 0.240 -9.649 11.672 187 2HG GLU 20 3HG GLU 20 1.053 -8.965 13.070 188 QB GLU 20 QB GLU 20 2.185 -7.876 11.368 189 QG GLU 20 QG GLU 20 0.647 -9.307 12.370 190 H ASN 21 HN ASN 21 3.114 -8.761 8.765 191 HA ASN 21 HA ASN 21 4.910 -6.743 8.352 192 1HB ASN 21 2HB ASN 21 5.127 -9.115 7.557 193 2HB ASN 21 3HB ASN 21 4.152 -8.694 6.158 194 1HD2 ASN 21 2HD ASN 21 8.069 -7.688 6.255 195 2HD2 ASN 21 1HD ASN 21 7.333 -8.515 7.542 196 QB ASN 21 QB ASN 21 4.640 -8.905 6.858 197 QD2 ASN 21 QD2 ASN 21 7.701 -8.102 6.898 198 H ASP 22 HN ASP 22 2.435 -7.416 5.867 199 HA ASP 22 HA ASP 22 2.931 -5.132 4.269 200 1HB ASP 22 2HB ASP 22 1.317 -6.829 3.518 201 2HB ASP 22 3HB ASP 22 0.232 -6.424 4.841 202 QB ASP 22 QB ASP 22 0.775 -6.627 4.179 203 H ILE 23 HN ILE 23 0.742 -5.497 7.012 204 HA ILE 23 HA ILE 23 -0.360 -2.882 6.960 205 HB ILE 23 HB ILE 23 0.138 -4.769 9.297 206 1HG1 ILE 23 2HG ILE 23 -2.347 -4.213 7.629 207 2HG1 ILE 23 3HG ILE 23 -1.256 -5.557 7.340 208 1HG2 ILE 23 2HG ILE 23 -0.226 -2.428 10.064 209 2HG2 ILE 23 3HG ILE 23 -1.696 -2.358 9.098 210 3HG2 ILE 23 1HG ILE 23 -1.596 -3.455 10.465 211 1HD1 ILE 23 1HD ILE 23 -1.712 -6.434 9.602 212 2HD1 ILE 23 2HD ILE 23 -2.808 -5.090 9.900 213 3HD1 ILE 23 3HD ILE 23 -3.190 -6.280 8.661 214 QG1 ILE 23 QG1 ILE 23 -1.802 -4.885 7.484 215 QG2 ILE 23 QG2 ILE 23 -1.172 -2.746 9.875 216 QD1 ILE 23 QD1 ILE 23 -2.570 -5.935 9.388 217 H SER 24 HN SER 24 2.463 -4.106 8.693 218 HA SER 24 HA SER 24 3.143 -1.588 9.937 219 1HB SER 24 2HB SER 24 4.896 -4.004 9.248 220 2HB SER 24 3HB SER 24 5.360 -2.690 10.350 221 HG SER 24 HG SER 24 3.286 -4.598 10.593 222 QB SER 24 QB SER 24 5.127 -3.347 9.798 223 H GLU 25 HN GLU 25 4.793 -3.259 7.239 224 HA GLU 25 HA GLU 25 6.399 -1.147 6.366 225 1HB GLU 25 2HB GLU 25 5.161 -3.553 5.112 226 2HB GLU 25 3HB GLU 25 5.874 -2.378 4.022 227 1HG GLU 25 2HG GLU 25 7.453 -4.234 4.806 228 2HG GLU 25 3HG GLU 25 8.048 -2.604 5.082 229 QB GLU 25 QB GLU 25 5.517 -2.965 4.567 230 QG GLU 25 QG GLU 25 7.750 -3.419 4.944 231 H LEU 26 HN LEU 26 3.052 -1.827 5.339 232 HA LEU 26 HA LEU 26 2.879 0.385 3.521 233 1HB LEU 26 2HB LEU 26 1.379 -1.763 3.815 234 2HB LEU 26 3HB LEU 26 0.471 -0.762 4.932 235 HG LEU 26 HG LEU 26 1.151 0.035 2.094 236 1HD1 LEU 26 1HD LEU 26 -1.388 -1.187 3.225 237 2HD1 LEU 26 2HD LEU 26 -1.209 -0.579 1.582 238 3HD1 LEU 26 3HD LEU 26 -0.269 -1.972 2.116 239 1HD2 LEU 26 1HD LEU 26 -0.846 1.151 4.107 240 2HD2 LEU 26 2HD LEU 26 0.605 1.957 3.523 241 3HD2 LEU 26 3HD LEU 26 -0.725 1.662 2.424 242 QB LEU 26 QB LEU 26 0.925 -1.262 4.373 243 QD1 LEU 26 QD1 LEU 26 -0.955 -1.246 2.307 244 QD2 LEU 26 QD2 LEU 26 -0.322 1.590 3.351 245 QQD LEU 26 QQD LEU 26 -0.639 0.172 2.829 246 H HIS 27 HN HIS 27 1.795 -0.059 6.890 247 HA HIS 27 HA HIS 27 0.587 2.457 7.325 248 1HB HIS 27 2HB HIS 27 2.115 0.557 9.053 249 2HB HIS 27 3HB HIS 27 1.849 2.154 9.681 250 HD1 HIS 27 HD1 HIS 27 -0.412 -0.143 7.810 251 HD2 HIS 27 HD2 HIS 27 -0.375 1.883 11.382 252 HE1 HIS 27 HE1 HIS 27 -2.711 -0.419 8.809 253 QB HIS 27 QB HIS 27 1.982 1.355 9.367 254 H GLU 28 HN GLU 28 3.910 1.471 7.535 255 HA GLU 28 HA GLU 28 5.221 3.819 8.248 256 1HB GLU 28 2HB GLU 28 6.078 1.400 7.667 257 2HB GLU 28 3HB GLU 28 6.274 2.034 6.042 258 1HG GLU 28 2HG GLU 28 8.371 2.216 7.359 259 2HG GLU 28 3HG GLU 28 7.766 3.799 6.881 260 QB GLU 28 QB GLU 28 6.176 1.717 6.855 261 QG GLU 28 QG GLU 28 8.069 3.007 7.120 262 H LEU 29 HN LEU 29 4.257 2.811 4.992 263 HA LEU 29 HA LEU 29 5.229 5.279 3.742 264 1HB LEU 29 2HB LEU 29 5.219 3.061 2.583 265 2HB LEU 29 3HB LEU 29 3.466 3.061 2.634 266 HG LEU 29 HG LEU 29 3.668 5.364 1.378 267 1HD1 LEU 29 1HD LEU 29 6.347 4.070 0.736 268 2HD1 LEU 29 2HD LEU 29 5.675 5.479 -0.076 269 3HD1 LEU 29 3HD LEU 29 6.127 5.575 1.623 270 1HD2 LEU 29 2HD LEU 29 4.349 2.721 0.036 271 2HD2 LEU 29 3HD LEU 29 2.725 3.292 0.409 272 3HD2 LEU 29 1HD LEU 29 3.706 4.139 -0.786 273 QB LEU 29 QB LEU 29 4.342 3.061 2.609 274 QD1 LEU 29 QD1 LEU 29 6.050 5.041 0.761 275 QD2 LEU 29 QD2 LEU 29 3.593 3.384 -0.113 276 QQD LEU 29 QQD LEU 29 4.822 4.213 0.324 277 H ALA 30 HN ALA 30 1.985 3.860 4.183 278 HA ALA 30 HA ALA 30 0.475 5.995 3.144 279 1HB ALA 30 2HB ALA 30 -0.482 3.803 3.783 280 2HB ALA 30 3HB ALA 30 -0.260 4.208 5.480 281 3HB ALA 30 1HB ALA 30 -1.387 5.135 4.494 282 QB ALA 30 QB ALA 30 -0.709 4.382 4.585 283 H SER 31 HN SER 31 2.086 5.719 6.222 284 HA SER 31 HA SER 31 0.749 8.192 7.170 285 1HB SER 31 2HB SER 31 2.864 6.511 8.583 286 2HB SER 31 3HB SER 31 1.773 7.706 9.314 287 HG SER 31 HG SER 31 1.277 5.136 8.428 288 QB SER 31 QB SER 31 2.319 7.109 8.948 289 H THR 32 HN THR 32 4.176 7.087 6.934 290 HA THR 32 HA THR 32 5.320 9.652 7.218 291 HB THR 32 HB THR 32 6.404 7.357 5.505 292 HG1 THR 32 1HG THR 32 6.433 6.438 7.412 293 1HG2 THR 32 2HG THR 32 7.815 9.516 7.154 294 2HG2 THR 32 3HG THR 32 8.600 8.262 6.201 295 3HG2 THR 32 1HG THR 32 7.709 9.553 5.396 296 QG2 THR 32 QG2 THR 32 8.041 9.111 6.250 297 NH1 ARG 33 NH2 ARG 33 3.276 10.527 -2.595 298 NH2 ARG 33 NH1 ARG 33 3.819 8.434 -3.343 299 H ARG 33 HN ARG 33 4.022 8.115 4.331 300 HA ARG 33 HA ARG 33 4.460 10.703 2.870 301 1HB ARG 33 2HB ARG 33 5.819 8.500 2.255 302 2HB ARG 33 3HB ARG 33 4.344 8.089 1.393 303 1HG ARG 33 2HG ARG 33 4.650 10.665 0.567 304 2HG ARG 33 3HG ARG 33 6.337 10.245 0.846 305 1HD ARG 33 2HD ARG 33 5.973 9.611 -1.412 306 2HD ARG 33 3HD ARG 33 5.792 8.087 -0.532 307 HE ARG 33 HE ARG 33 3.249 8.677 -0.541 308 1HH1 ARG 33 2HH ARG 33 3.174 11.148 -1.814 309 2HH1 ARG 33 1HH ARG 33 3.066 10.850 -3.520 310 1HH2 ARG 33 2HH ARG 33 4.178 7.525 -3.130 311 2HH2 ARG 33 1HH ARG 33 3.577 8.656 -4.298 312 QB ARG 33 QB ARG 33 5.082 8.294 1.824 313 QG ARG 33 QG ARG 33 5.493 10.455 0.707 314 QD ARG 33 QD ARG 33 5.883 8.849 -0.972 315 QH1 ARG 33 QH2 ARG 33 3.120 10.998 -2.667 316 QH2 ARG 33 QH1 ARG 33 3.877 8.090 -3.714 317 H GLN 34 HN GLN 34 2.084 10.034 4.285 318 HA GLN 34 HA GLN 34 -0.214 9.189 3.685 319 1HB GLN 34 2HB GLN 34 0.367 11.614 4.523 320 2HB GLN 34 3HB GLN 34 -0.163 12.089 2.922 321 1HG GLN 34 2HG GLN 34 -1.845 10.348 4.763 322 2HG GLN 34 3HG GLN 34 -1.951 12.096 4.765 323 1HE2 GLN 34 2HE GLN 34 -3.021 11.482 1.065 324 2HE2 GLN 34 1HE GLN 34 -1.440 11.787 1.618 325 QB GLN 34 QB GLN 34 0.102 11.852 3.722 326 QG GLN 34 QG GLN 34 -1.898 11.221 4.764 327 QE2 GLN 34 QE2 GLN 34 -2.231 11.635 1.341 328 H ILE 35 HN ILE 35 -0.722 7.922 1.926 329 HA ILE 35 HA ILE 35 -0.884 9.339 -0.726 330 HB ILE 35 HB ILE 35 -0.567 6.348 -0.235 331 1HG1 ILE 35 2HG ILE 35 1.403 8.451 -1.187 332 2HG1 ILE 35 3HG ILE 35 1.463 7.605 0.356 333 1HG2 ILE 35 2HG ILE 35 -0.493 7.967 -2.825 334 2HG2 ILE 35 3HG ILE 35 -0.181 6.239 -2.692 335 3HG2 ILE 35 1HG ILE 35 -1.782 6.859 -2.349 336 1HD1 ILE 35 1HD ILE 35 1.684 5.437 -0.878 337 2HD1 ILE 35 2HD ILE 35 1.768 6.338 -2.391 338 3HD1 ILE 35 3HD ILE 35 3.025 6.533 -1.180 339 QG1 ILE 35 QG1 ILE 35 1.433 8.028 -0.415 340 QG2 ILE 35 QG2 ILE 35 -0.819 7.021 -2.622 341 QD1 ILE 35 QD1 ILE 35 2.159 6.103 -1.483 342 H ASP 36 HN ASP 36 -2.603 8.671 -2.115 343 HA ASP 36 HA ASP 36 -5.133 8.375 -0.675 344 1HB ASP 36 2HB ASP 36 -6.122 8.699 -3.012 345 2HB ASP 36 3HB ASP 36 -5.197 10.037 -2.375 346 QB ASP 36 QB ASP 36 -5.659 9.369 -2.694 347 H PHE 37 HN PHE 37 -6.366 6.595 -0.579 348 HA PHE 37 HA PHE 37 -5.306 4.113 -1.842 349 1HB PHE 37 2HB PHE 37 -7.222 4.613 0.459 350 2HB PHE 37 3HB PHE 37 -6.994 3.019 -0.237 351 HD1 PHE 37 1HD PHE 37 -3.916 4.887 -0.379 352 HD2 PHE 37 2HD PHE 37 -6.375 2.584 2.242 353 HE1 PHE 37 1HE PHE 37 -1.994 4.470 1.058 354 HE2 PHE 37 2HE PHE 37 -4.442 2.199 3.696 355 HZ PHE 37 HZ PHE 37 -2.249 3.131 3.107 356 QB PHE 37 QB PHE 37 -7.108 3.816 0.111 357 QR PHE 37 QR PHE 37 -4.182 3.535 1.654 358 CH2 TRP 38 CH2 TRP 38 -8.197 2.444 -10.000 359 H TRP 38 HN TRP 38 -7.220 2.478 -2.088 360 HA TRP 38 HA TRP 38 -9.399 3.742 -3.701 361 1HB TRP 38 2HB TRP 38 -7.422 1.642 -4.426 362 2HB TRP 38 3HB TRP 38 -9.062 1.313 -4.894 363 HD1 TRP 38 HD1 TRP 38 -7.922 4.965 -5.094 364 HE1 TRP 38 HE1 TRP 38 -7.825 5.672 -7.478 365 HE3 TRP 38 HE3 TRP 38 -8.445 0.465 -7.244 366 HZ2 TRP 38 HZ2 TRP 38 -7.942 4.565 -9.993 367 HZ3 TRP 38 HZ3 TRP 38 -8.470 0.344 -9.721 368 HH2 TRP 38 HH2 TRP 38 -8.195 2.371 -11.078 369 QB TRP 38 QB TRP 38 -8.242 1.478 -4.660 370 H LYS 39 HN LYS 39 -8.327 0.770 -2.075 371 HA LYS 39 HA LYS 39 -10.943 0.485 -0.754 372 1HB LYS 39 2HB LYS 39 -11.168 -0.594 -3.045 373 2HB LYS 39 3HB LYS 39 -9.871 -1.688 -2.615 374 1HG LYS 39 2HG LYS 39 -12.361 -1.464 -0.905 375 2HG LYS 39 3HG LYS 39 -12.345 -2.487 -2.326 376 1HD LYS 39 2HD LYS 39 -10.468 -2.745 0.055 377 2HD LYS 39 3HD LYS 39 -11.833 -3.777 -0.290 378 1HE LYS 39 2HE LYS 39 -10.562 -5.087 -1.608 379 2HE LYS 39 3HE LYS 39 -10.183 -3.722 -2.645 380 1HZ LYS 39 2HZ LYS 39 -8.656 -3.451 -0.318 381 2HZ LYS 39 3HZ LYS 39 -8.502 -5.076 -0.837 382 3HZ LYS 39 1HZ LYS 39 -8.133 -3.789 -1.891 383 QB LYS 39 QB LYS 39 -10.519 -1.141 -2.830 384 QG LYS 39 QG LYS 39 -12.353 -1.976 -1.615 385 QD LYS 39 QD LYS 39 -11.151 -3.261 -0.118 386 QE LYS 39 QE LYS 39 -10.372 -4.405 -2.127 387 QZ LYS 39 QZ LYS 39 -8.430 -4.106 -1.016 388 HA PRO 40 HA PRO 40 -11.498 0.097 1.196 389 1HB PRO 40 2HB PRO 40 -10.155 0.770 3.756 390 2HB PRO 40 3HB PRO 40 -11.607 -0.198 3.481 391 1HG PRO 40 2HG PRO 40 -9.241 -1.309 4.262 392 2HG PRO 40 3HG PRO 40 -10.376 -2.176 3.215 393 1HD PRO 40 2HD PRO 40 -7.845 -0.704 2.447 394 2HD PRO 40 3HD PRO 40 -8.484 -2.240 1.820 395 QB PRO 40 QB PRO 40 -10.881 0.286 3.618 396 QG PRO 40 QG PRO 40 -9.808 -1.742 3.739 397 QD PRO 40 QD PRO 40 -8.165 -1.472 2.134 398 H ASP 41 HN ASP 41 -10.998 2.284 3.246 399 HA ASP 41 HA ASP 41 -10.254 4.380 1.272 400 1HB ASP 41 2HB ASP 41 -11.547 5.881 2.637 401 2HB ASP 41 3HB ASP 41 -12.483 4.398 2.500 402 QB ASP 41 QB ASP 41 -12.015 5.140 2.569 403 H SER 42 HN SER 42 -9.567 3.504 4.655 404 HA SER 42 HA SER 42 -7.242 5.388 4.567 405 1HB SER 42 2HB SER 42 -9.034 5.840 6.262 406 2HB SER 42 3HB SER 42 -8.684 4.271 7.001 407 HG SER 42 HG SER 42 -7.345 6.578 7.278 408 QB SER 42 QB SER 42 -8.859 5.055 6.631 409 H VAL 43 HN VAL 43 -5.745 4.598 6.590 410 HA VAL 43 HA VAL 43 -4.711 1.934 5.709 411 HB VAL 43 HB VAL 43 -3.130 3.762 5.390 412 1HG1 VAL 43 1HG VAL 43 -3.513 4.381 8.340 413 2HG1 VAL 43 2HG VAL 43 -2.358 5.170 7.268 414 3HG1 VAL 43 3HG VAL 43 -4.083 5.371 6.999 415 1HG2 VAL 43 1HG VAL 43 -2.162 1.633 6.200 416 2HG2 VAL 43 2HG VAL 43 -1.246 3.016 6.779 417 3HG2 VAL 43 3HG VAL 43 -2.345 2.181 7.863 418 QG1 VAL 43 QG1 VAL 43 -3.318 4.974 7.536 419 QG2 VAL 43 QG2 VAL 43 -1.918 2.277 6.948 420 QQG VAL 43 QQG VAL 43 -2.618 3.626 7.242 421 H THR 44 HN THR 44 -6.032 3.635 8.416 422 HA THR 44 HA THR 44 -5.269 1.453 10.273 423 HB THR 44 HB THR 44 -6.740 3.050 11.844 424 HG1 THR 44 1HG THR 44 -7.576 4.431 10.394 425 1HG2 THR 44 3HG THR 44 -4.142 4.072 10.587 426 2HG2 THR 44 1HG THR 44 -4.786 4.551 12.153 427 3HG2 THR 44 2HG THR 44 -4.188 2.912 11.912 428 QG2 THR 44 QG2 THR 44 -4.372 3.844 11.551 429 H GLN 45 HN GLN 45 -7.419 1.653 7.952 430 HA GLN 45 HA GLN 45 -9.615 0.265 9.432 431 1HB GLN 45 2HB GLN 45 -9.750 2.428 7.695 432 2HB GLN 45 3HB GLN 45 -10.006 1.091 6.592 433 1HG GLN 45 2HG GLN 45 -11.612 1.774 9.060 434 2HG GLN 45 3HG GLN 45 -12.154 1.816 7.389 435 1HE2 GLN 45 2HE GLN 45 -13.053 -1.620 7.411 436 2HE2 GLN 45 1HE GLN 45 -13.095 -0.141 6.576 437 QB GLN 45 QB GLN 45 -9.878 1.759 7.143 438 QG GLN 45 QG GLN 45 -11.883 1.795 8.225 439 QE2 GLN 45 QE2 GLN 45 -13.074 -0.880 6.993 440 H ILE 46 HN ILE 46 -7.167 -0.982 8.833 441 HA ILE 46 HA ILE 46 -8.013 -2.915 6.716 442 HB ILE 46 HB ILE 46 -5.306 -1.608 7.157 443 1HG1 ILE 46 2HG ILE 46 -7.025 -1.941 4.677 444 2HG1 ILE 46 3HG ILE 46 -6.967 -0.491 5.672 445 1HG2 ILE 46 2HG ILE 46 -5.926 -4.084 5.492 446 2HG2 ILE 46 3HG ILE 46 -4.396 -3.210 5.467 447 3HG2 ILE 46 1HG ILE 46 -4.908 -4.031 6.926 448 1HD1 ILE 46 3HD ILE 46 -4.512 -0.323 5.238 449 2HD1 ILE 46 1HD ILE 46 -4.622 -1.715 4.163 450 3HD1 ILE 46 2HD ILE 46 -5.462 -0.226 3.761 451 QG1 ILE 46 QG1 ILE 46 -6.996 -1.216 5.174 452 QG2 ILE 46 QG2 ILE 46 -5.077 -3.775 5.962 453 QD1 ILE 46 QD1 ILE 46 -4.865 -0.755 4.388 454 H LYS 47 HN LYS 47 -7.425 -5.028 7.001 455 HA LYS 47 HA LYS 47 -6.243 -5.761 9.638 456 1HB LYS 47 2HB LYS 47 -7.808 -7.827 9.483 457 2HB LYS 47 3HB LYS 47 -8.537 -6.304 9.967 458 1HG LYS 47 2HG LYS 47 -9.478 -5.940 7.805 459 2HG LYS 47 3HG LYS 47 -8.482 -7.172 7.072 460 1HD LYS 47 2HD LYS 47 -10.510 -7.821 9.225 461 2HD LYS 47 3HD LYS 47 -10.949 -7.783 7.526 462 1HE LYS 47 2HE LYS 47 -8.769 -9.544 8.726 463 2HE LYS 47 3HE LYS 47 -10.384 -10.090 8.291 464 1HZ LYS 47 2HZ LYS 47 -9.248 -8.751 6.078 465 2HZ LYS 47 3HZ LYS 47 -8.131 -9.876 6.639 466 3HZ LYS 47 1HZ LYS 47 -9.678 -10.389 6.205 467 QB LYS 47 QB LYS 47 -8.173 -7.066 9.725 468 QG LYS 47 QG LYS 47 -8.980 -6.556 7.439 469 QD LYS 47 QD LYS 47 -10.729 -7.802 8.376 470 QE LYS 47 QE LYS 47 -9.576 -9.818 8.508 471 QZ LYS 47 QZ LYS 47 -9.019 -9.671 6.307 472 HA PRO 48 HA PRO 48 -3.548 -8.597 7.436 473 1HB PRO 48 2HB PRO 48 -4.600 -10.717 9.277 474 2HB PRO 48 3HB PRO 48 -2.927 -10.247 8.939 475 1HG PRO 48 2HG PRO 48 -4.167 -9.526 11.255 476 2HG PRO 48 3HG PRO 48 -2.967 -8.487 10.474 477 1HD PRO 48 2HD PRO 48 -5.940 -8.184 10.575 478 2HD PRO 48 3HD PRO 48 -4.686 -6.934 10.447 479 QB PRO 48 QB PRO 48 -3.764 -10.482 9.108 480 QG PRO 48 QG PRO 48 -3.566 -9.006 10.864 481 QD PRO 48 QD PRO 48 -5.313 -7.559 10.511 482 H HIS 49 HN HIS 49 -3.682 -10.798 6.366 483 HA HIS 49 HA HIS 49 -4.679 -11.938 4.568 484 1HB HIS 49 2HB HIS 49 -7.043 -12.454 6.310 485 2HB HIS 49 3HB HIS 49 -6.101 -13.572 5.365 486 HD1 HIS 49 HD1 HIS 49 -3.350 -12.998 6.601 487 HD2 HIS 49 HD2 HIS 49 -6.748 -13.566 8.875 488 HE1 HIS 49 HE1 HIS 49 -2.586 -13.786 8.867 489 QB HIS 49 QB HIS 49 -6.572 -13.013 5.838 490 H SER 50 HN SER 50 -5.065 -9.411 4.054 491 HA SER 50 HA SER 50 -7.830 -9.282 2.928 492 1HB SER 50 2HB SER 50 -6.498 -6.920 4.320 493 2HB SER 50 3HB SER 50 -8.125 -6.947 3.618 494 HG SER 50 HG SER 50 -7.138 -8.043 5.947 495 QB SER 50 QB SER 50 -7.311 -6.934 3.969 496 H THR 51 HN THR 51 -7.738 -6.909 1.649 497 HA THR 51 HA THR 51 -5.153 -6.804 0.221 498 HB THR 51 HB THR 51 -6.360 -6.639 -1.964 499 HG1 THR 51 1HG THR 51 -8.703 -7.548 -1.287 500 1HG2 THR 51 1HG THR 51 -5.761 -8.974 -1.097 501 2HG2 THR 51 2HG THR 51 -7.375 -9.072 -0.410 502 3HG2 THR 51 3HG THR 51 -7.163 -8.955 -2.156 503 QG2 THR 51 QG2 THR 51 -6.766 -9.000 -1.222 504 H VAL 52 HN VAL 52 -4.560 -4.744 -0.322 505 HA VAL 52 HA VAL 52 -6.567 -2.588 0.119 506 HB VAL 52 HB VAL 52 -5.257 -2.514 2.116 507 1HG1 VAL 52 1HG VAL 52 -3.333 -3.893 1.322 508 2HG1 VAL 52 2HG VAL 52 -2.761 -2.509 0.398 509 3HG1 VAL 52 3HG VAL 52 -2.819 -2.431 2.150 510 1HG2 VAL 52 1HG VAL 52 -5.680 -0.330 1.028 511 2HG2 VAL 52 2HG VAL 52 -4.161 -0.312 1.916 512 3HG2 VAL 52 3HG VAL 52 -4.153 -0.462 0.165 513 QG1 VAL 52 QG1 VAL 52 -2.971 -2.944 1.290 514 QG2 VAL 52 QG2 VAL 52 -4.665 -0.368 1.036 515 QQG VAL 52 QQG VAL 52 -3.818 -1.656 1.163 516 H ASP 53 HN ASP 53 -6.812 -1.468 -1.671 517 HA ASP 53 HA ASP 53 -4.635 -1.569 -3.723 518 1HB ASP 53 2HB ASP 53 -7.592 -0.949 -4.069 519 2HB ASP 53 3HB ASP 53 -6.412 -1.094 -5.358 520 QB ASP 53 QB ASP 53 -7.002 -1.021 -4.714 521 H PHE 54 HN PHE 54 -4.159 0.356 -4.928 522 HA PHE 54 HA PHE 54 -5.242 2.877 -3.810 523 1HB PHE 54 2HB PHE 54 -2.695 3.717 -3.918 524 2HB PHE 54 3HB PHE 54 -3.393 3.023 -2.470 525 HD1 PHE 54 2HD PHE 54 -3.155 0.444 -2.198 526 HD2 PHE 54 1HD PHE 54 -0.687 2.737 -4.801 527 HE1 PHE 54 2HE PHE 54 -1.454 -1.302 -2.111 528 HE2 PHE 54 1HE PHE 54 1.045 0.995 -4.677 529 HZ PHE 54 HZ PHE 54 0.667 -1.012 -3.301 530 QB PHE 54 QB PHE 54 -3.044 3.369 -3.194 531 QR PHE 54 QR PHE 54 -1.064 0.718 -3.447 532 NH1 ARG 55 NH1 ARG 55 1.403 6.443 -6.266 533 NH2 ARG 55 NH2 ARG 55 1.391 4.193 -6.638 534 H ARG 55 HN ARG 55 -4.630 4.735 -4.841 535 HA ARG 55 HA ARG 55 -5.438 5.455 -7.176 536 1HB ARG 55 2HB ARG 55 -3.525 7.163 -7.303 537 2HB ARG 55 3HB ARG 55 -4.485 7.075 -5.841 538 1HG ARG 55 2HG ARG 55 -1.965 7.235 -5.470 539 2HG ARG 55 3HG ARG 55 -2.777 5.928 -4.631 540 1HD ARG 55 2HD ARG 55 -2.020 4.309 -6.288 541 2HD ARG 55 3HD ARG 55 -1.350 5.590 -7.297 542 HE ARG 55 HE ARG 55 -0.276 5.081 -4.545 543 1HH1 ARG 55 2HH ARG 55 0.930 7.260 -5.912 544 2HH1 ARG 55 1HH ARG 55 2.287 6.551 -6.705 545 1HH2 ARG 55 2HH ARG 55 0.931 3.318 -6.496 546 2HH2 ARG 55 1HH ARG 55 2.257 4.209 -7.157 547 QB ARG 55 QB ARG 55 -4.006 7.119 -6.572 548 QG ARG 55 QG ARG 55 -2.371 6.582 -5.051 549 QD ARG 55 QD ARG 55 -1.685 4.950 -6.792 550 QH1 ARG 55 QH1 ARG 55 1.609 6.906 -6.309 551 QH2 ARG 55 QH2 ARG 55 1.595 3.763 -6.827 552 H VAL 56 HN VAL 56 -4.758 6.174 -9.217 553 HA VAL 56 HA VAL 56 -2.591 4.750 -10.548 554 HB VAL 56 HB VAL 56 -4.105 4.570 -12.412 555 1HG1 VAL 56 2HG VAL 56 -4.157 2.789 -10.739 556 2HG1 VAL 56 3HG VAL 56 -5.452 3.612 -9.896 557 3HG1 VAL 56 1HG VAL 56 -5.719 2.971 -11.515 558 1HG2 VAL 56 1HG VAL 56 -6.179 5.890 -10.644 559 2HG2 VAL 56 2HG VAL 56 -5.467 6.605 -12.083 560 3HG2 VAL 56 3HG VAL 56 -6.503 5.196 -12.226 561 QG1 VAL 56 QG1 VAL 56 -5.109 3.124 -10.716 562 QG2 VAL 56 QG2 VAL 56 -6.049 5.897 -11.651 563 QQG VAL 56 QQG VAL 56 -5.579 4.511 -11.184 564 H LYS 57 HN LYS 57 -2.243 7.210 -9.400 565 HA LYS 57 HA LYS 57 -2.650 9.301 -11.460 566 1HB LYS 57 2HB LYS 57 -1.724 9.202 -8.625 567 2HB LYS 57 3HB LYS 57 -1.181 10.557 -9.591 568 1HG LYS 57 2HG LYS 57 -3.607 10.973 -10.207 569 2HG LYS 57 3HG LYS 57 -4.047 9.770 -9.001 570 1HD LYS 57 2HD LYS 57 -2.147 11.931 -8.140 571 2HD LYS 57 3HD LYS 57 -3.816 12.406 -8.418 572 1HE LYS 57 2HE LYS 57 -3.512 11.765 -6.074 573 2HE LYS 57 3HE LYS 57 -4.589 10.633 -6.880 574 1HZ LYS 57 1HZ LYS 57 -1.844 9.813 -7.045 575 2HZ LYS 57 2HZ LYS 57 -2.366 9.989 -5.433 576 3HZ LYS 57 3HZ LYS 57 -3.240 8.976 -6.452 577 QB LYS 57 QB LYS 57 -1.452 9.880 -9.109 578 QG LYS 57 QG LYS 57 -3.827 10.372 -9.604 579 QD LYS 57 QD LYS 57 -2.981 12.168 -8.279 580 QE LYS 57 QE LYS 57 -4.051 11.199 -6.477 581 QZ LYS 57 QZ LYS 57 -2.483 9.593 -6.309 582 H ALA 58 HN ALA 58 -0.362 10.798 -11.213 583 HA ALA 58 HA ALA 58 1.825 8.964 -12.124 584 1HB ALA 58 2HB ALA 58 1.055 11.661 -13.297 585 2HB ALA 58 3HB ALA 58 2.423 10.678 -13.810 586 3HB ALA 58 1HB ALA 58 0.781 10.094 -14.052 587 QB ALA 58 QB ALA 58 1.420 10.811 -13.720 588 H GLU 59 HN GLU 59 1.181 12.310 -11.213 589 HA GLU 59 HA GLU 59 3.678 13.181 -10.435 590 1HB GLU 59 2HB GLU 59 1.458 13.938 -8.589 591 2HB GLU 59 3HB GLU 59 2.630 14.959 -9.407 592 1HG GLU 59 2HG GLU 59 0.704 15.506 -10.599 593 2HG GLU 59 3HG GLU 59 1.298 14.177 -11.589 594 QB GLU 59 QB GLU 59 2.044 14.449 -8.998 595 QG GLU 59 QG GLU 59 1.001 14.841 -11.095 596 H ASP 60 HN ASP 60 1.549 11.072 -8.524 597 HA ASP 60 HA ASP 60 3.637 11.094 -6.365 598 1HB ASP 60 2HB ASP 60 1.866 10.146 -4.915 599 2HB ASP 60 3HB ASP 60 1.327 11.649 -5.648 600 QB ASP 60 QB ASP 60 1.596 10.898 -5.282 601 H ILE 61 HN ILE 61 3.843 9.483 -8.867 602 HA ILE 61 HA ILE 61 3.724 6.709 -7.683 603 HB ILE 61 HB ILE 61 4.281 7.364 -10.586 604 1HG1 ILE 61 2HG ILE 61 2.223 8.511 -10.186 605 2HG1 ILE 61 3HG ILE 61 1.847 7.028 -11.026 606 1HG2 ILE 61 2HG ILE 61 3.031 4.964 -9.215 607 2HG2 ILE 61 3HG ILE 61 3.152 5.180 -10.951 608 3HG2 ILE 61 1HG ILE 61 4.604 5.017 -10.000 609 1HD1 ILE 61 1HD ILE 61 1.256 6.019 -8.795 610 2HD1 ILE 61 2HD ILE 61 1.518 7.609 -8.080 611 3HD1 ILE 61 3HD ILE 61 0.240 7.379 -9.245 612 QG1 ILE 61 QG1 ILE 61 2.036 7.770 -10.606 613 QG2 ILE 61 QG2 ILE 61 3.596 5.054 -10.055 614 QD1 ILE 61 QD1 ILE 61 1.005 7.002 -8.706 615 H LEU 62 HN LEU 62 5.448 5.287 -8.637 616 HA LEU 62 HA LEU 62 7.680 4.763 -9.162 617 1HB LEU 62 2HB LEU 62 7.878 7.252 -9.944 618 2HB LEU 62 3HB LEU 62 8.513 7.558 -8.339 619 HG LEU 62 HG LEU 62 9.677 5.454 -10.187 620 1HD1 LEU 62 3HD LEU 62 10.541 8.337 -9.728 621 2HD1 LEU 62 1HD LEU 62 11.437 7.142 -10.662 622 3HD1 LEU 62 2HD LEU 62 9.861 7.696 -11.221 623 1HD2 LEU 62 3HD LEU 62 10.727 6.853 -7.691 624 2HD2 LEU 62 1HD LEU 62 10.201 5.175 -7.784 625 3HD2 LEU 62 2HD LEU 62 11.630 5.692 -8.660 626 QB LEU 62 QB LEU 62 8.196 7.406 -9.142 627 QD1 LEU 62 QD1 LEU 62 10.613 7.725 -10.537 628 QD2 LEU 62 QD2 LEU 62 10.853 5.907 -8.045 629 QQD LEU 62 QQD LEU 62 10.733 6.816 -9.292 630 H ALA 63 HN ALA 63 7.271 7.097 -6.562 631 HA ALA 63 HA ALA 63 8.979 5.531 -4.760 632 1HB ALA 63 3HB ALA 63 7.331 8.042 -4.276 633 2HB ALA 63 1HB ALA 63 8.502 7.372 -3.147 634 3HB ALA 63 2HB ALA 63 9.039 8.004 -4.703 635 QB ALA 63 QB ALA 63 8.291 7.806 -4.042 636 H VAL 64 HN VAL 64 6.576 4.364 -5.756 637 HA VAL 64 HA VAL 64 5.415 3.541 -3.148 638 HB VAL 64 HB VAL 64 3.802 3.915 -5.700 639 1HG1 VAL 64 2HG VAL 64 3.008 3.101 -2.871 640 2HG1 VAL 64 3HG VAL 64 1.885 3.366 -4.199 641 3HG1 VAL 64 1HG VAL 64 3.032 2.036 -4.274 642 1HG2 VAL 64 2HG VAL 64 3.871 5.481 -3.102 643 2HG2 VAL 64 3HG VAL 64 4.371 6.078 -4.681 644 3HG2 VAL 64 1HG VAL 64 2.675 5.723 -4.368 645 QG1 VAL 64 QG1 VAL 64 2.642 2.834 -3.781 646 QG2 VAL 64 QG2 VAL 64 3.639 5.761 -4.050 647 QQG VAL 64 QQG VAL 64 3.140 4.297 -3.916 648 H GLU 65 HN GLU 65 5.963 2.896 -6.580 649 HA GLU 65 HA GLU 65 5.577 0.002 -6.265 650 1HB GLU 65 2HB GLU 65 6.948 1.539 -8.522 651 2HB GLU 65 3HB GLU 65 6.430 -0.141 -8.591 652 1HG GLU 65 2HG GLU 65 4.710 1.135 -9.671 653 2HG GLU 65 3HG GLU 65 4.078 0.691 -8.085 654 QB GLU 65 QB GLU 65 6.689 0.699 -8.556 655 QG GLU 65 QG GLU 65 4.394 0.913 -8.878 656 H ASP 66 HN ASP 66 8.234 2.324 -6.389 657 HA ASP 66 HA ASP 66 10.404 0.494 -6.254 658 1HB ASP 66 2HB ASP 66 9.925 3.334 -5.875 659 2HB ASP 66 3HB ASP 66 10.993 2.754 -4.631 660 QB ASP 66 QB ASP 66 10.459 3.044 -5.253 661 H PHE 67 HN PHE 67 8.616 2.180 -3.780 662 HA PHE 67 HA PHE 67 9.796 1.087 -1.469 663 1HB PHE 67 2HB PHE 67 8.180 2.980 -1.458 664 2HB PHE 67 3HB PHE 67 6.882 1.873 -1.885 665 HD1 PHE 67 1HD PHE 67 6.250 0.024 -0.268 666 HD2 PHE 67 2HD PHE 67 8.946 3.143 0.841 667 HE1 PHE 67 1HE PHE 67 5.952 -0.552 2.092 668 HE2 PHE 67 2HE PHE 67 8.598 2.582 3.213 669 HZ PHE 67 HZ PHE 67 7.094 0.731 3.833 670 QB PHE 67 QB PHE 67 7.531 2.427 -1.672 671 QR PHE 67 QR PHE 67 7.437 1.299 1.469 672 H LEU 68 HN LEU 68 6.862 -0.033 -3.145 673 HA LEU 68 HA LEU 68 6.508 -2.356 -1.487 674 1HB LEU 68 2HB LEU 68 5.571 -1.774 -4.320 675 2HB LEU 68 3HB LEU 68 4.986 -3.107 -3.333 676 HG LEU 68 HG LEU 68 4.891 -0.259 -2.303 677 1HD1 LEU 68 3HD LEU 68 3.694 -0.315 -4.478 678 2HD1 LEU 68 1HD LEU 68 2.742 -1.686 -3.913 679 3HD1 LEU 68 2HD LEU 68 2.578 -0.114 -3.132 680 1HD2 LEU 68 1HD LEU 68 4.551 -2.132 -0.704 681 2HD2 LEU 68 2HD LEU 68 3.070 -1.210 -0.916 682 3HD2 LEU 68 3HD LEU 68 3.258 -2.765 -1.715 683 QB LEU 68 QB LEU 68 5.279 -2.440 -3.826 684 QD1 LEU 68 QD1 LEU 68 3.005 -0.705 -3.841 685 QD2 LEU 68 QD2 LEU 68 3.626 -2.035 -1.111 686 QQD LEU 68 QQD LEU 68 3.316 -1.370 -2.476 687 H GLU 69 HN GLU 69 8.504 -1.774 -4.251 688 HA GLU 69 HA GLU 69 8.960 -4.621 -4.793 689 1HB GLU 69 2HB GLU 69 8.922 -2.823 -6.560 690 2HB GLU 69 3HB GLU 69 10.380 -2.162 -5.852 691 1HG GLU 69 2HG GLU 69 10.946 -4.901 -6.187 692 2HG GLU 69 3HG GLU 69 10.097 -4.434 -7.653 693 QB GLU 69 QB GLU 69 9.651 -2.493 -6.207 694 QG GLU 69 QG GLU 69 10.521 -4.667 -6.920 695 H GLN 70 HN GLN 70 11.100 -1.922 -3.870 696 HA GLN 70 HA GLN 70 13.395 -3.396 -3.331 697 1HB GLN 70 2HB GLN 70 12.407 -0.939 -1.839 698 2HB GLN 70 3HB GLN 70 14.049 -1.562 -1.762 699 1HG GLN 70 2HG GLN 70 12.625 -0.369 -4.167 700 2HG GLN 70 3HG GLN 70 14.118 0.173 -3.417 701 1HE2 GLN 70 2HE GLN 70 14.291 -2.464 -6.406 702 2HE2 GLN 70 1HE GLN 70 12.929 -1.525 -6.039 703 QB GLN 70 QB GLN 70 13.228 -1.250 -1.800 704 QG GLN 70 QG GLN 70 13.372 -0.098 -3.792 705 QE2 GLN 70 QE2 GLN 70 13.610 -1.995 -6.222 706 H ASN 71 HN ASN 71 10.521 -3.169 -1.268 707 HA ASN 71 HA ASN 71 11.927 -4.926 0.676 708 1HB ASN 71 2HB ASN 71 10.206 -4.318 2.255 709 2HB ASN 71 3HB ASN 71 11.043 -2.896 1.683 710 1HD2 ASN 71 2HD ASN 71 7.912 -1.586 1.021 711 2HD2 ASN 71 1HD ASN 71 9.292 -1.467 1.973 712 QB ASN 71 QB ASN 71 10.625 -3.606 1.969 713 QD2 ASN 71 QD2 ASN 71 8.602 -1.527 1.497 714 H GLU 72 HN GLU 72 10.767 -5.631 -1.888 715 HA GLU 72 HA GLU 72 8.935 -6.845 -2.857 716 1HB GLU 72 2HB GLU 72 10.618 -8.582 -1.053 717 2HB GLU 72 3HB GLU 72 9.419 -9.268 -2.142 718 1HG GLU 72 2HG GLU 72 10.529 -8.265 -4.080 719 2HG GLU 72 3HG GLU 72 11.655 -7.402 -3.035 720 QB GLU 72 QB GLU 72 10.018 -8.925 -1.597 721 QG GLU 72 QG GLU 72 11.092 -7.833 -3.557 722 H LEU 73 HN LEU 73 7.594 -5.432 -1.195 723 HA LEU 73 HA LEU 73 6.303 -6.810 0.918 724 1HB LEU 73 2HB LEU 73 6.164 -4.225 -0.105 725 2HB LEU 73 3HB LEU 73 4.605 -4.883 -0.574 726 HG LEU 73 HG LEU 73 4.312 -5.664 1.817 727 1HD1 LEU 73 3HD LEU 73 6.753 -5.609 2.402 728 2HD1 LEU 73 1HD LEU 73 6.705 -3.855 2.313 729 3HD1 LEU 73 2HD LEU 73 5.768 -4.707 3.534 730 1HD2 LEU 73 2HD LEU 73 3.253 -3.592 0.980 731 2HD2 LEU 73 3HD LEU 73 3.719 -3.436 2.670 732 3HD2 LEU 73 1HD LEU 73 4.702 -2.687 1.416 733 QB LEU 73 QB LEU 73 5.385 -4.554 -0.339 734 QD1 LEU 73 QD1 LEU 73 6.408 -4.724 2.750 735 QD2 LEU 73 QD2 LEU 73 3.892 -3.238 1.688 736 QQD LEU 73 QQD LEU 73 5.150 -3.981 2.220 737 H GLN 74 HN GLN 74 3.959 -7.274 0.791 738 HA GLN 74 HA GLN 74 3.605 -9.284 -1.282 739 1HB GLN 74 2HB GLN 74 1.348 -9.544 0.073 740 2HB GLN 74 3HB GLN 74 2.864 -10.154 0.709 741 1HG GLN 74 2HG GLN 74 2.057 -7.330 1.340 742 2HG GLN 74 3HG GLN 74 1.281 -8.650 2.193 743 1HE2 GLN 74 2HE GLN 74 4.149 -9.447 4.132 744 2HE2 GLN 74 1HE GLN 74 2.644 -9.998 3.601 745 QB GLN 74 QB GLN 74 2.106 -9.849 0.390 746 QG GLN 74 QG GLN 74 1.670 -7.990 1.767 747 QE2 GLN 74 QE2 GLN 74 3.396 -9.722 3.866 748 OH TYR 75 OH TYR 75 7.425 -5.262 -6.815 749 H TYR 75 HN TYR 75 3.675 -7.367 -2.872 750 HA TYR 75 HA TYR 75 0.896 -6.300 -3.230 751 1HB TYR 75 2HB TYR 75 1.826 -4.425 -4.438 752 2HB TYR 75 3HB TYR 75 2.723 -4.589 -2.942 753 HD1 TYR 75 HD1 TYR 75 5.010 -5.783 -3.029 754 HD2 TYR 75 HD2 TYR 75 2.966 -4.484 -6.530 755 HE1 TYR 75 HE1 TYR 75 7.098 -5.924 -4.291 756 HE2 TYR 75 HE2 TYR 75 5.084 -4.550 -7.771 757 HH TYR 75 HH TYR 75 7.879 -4.425 -6.669 758 QB TYR 75 QB TYR 75 2.274 -4.507 -3.689 759 QR TYR 75 QR TYR 75 5.040 -5.185 -5.405 760 H GLU 76 HN GLU 76 0.041 -6.102 -5.324 761 HA GLU 76 HA GLU 76 1.053 -8.103 -7.313 762 1HB GLU 76 2HB GLU 76 -1.069 -8.856 -6.409 763 2HB GLU 76 3HB GLU 76 -1.743 -7.243 -6.473 764 1HG GLU 76 2HG GLU 76 -1.645 -7.341 -8.984 765 2HG GLU 76 3HG GLU 76 -1.111 -9.016 -8.851 766 QB GLU 76 QB GLU 76 -1.407 -8.049 -6.441 767 QG GLU 76 QG GLU 76 -1.378 -8.179 -8.917 768 H VAL 77 HN VAL 77 1.002 -7.342 -9.540 769 HA VAL 77 HA VAL 77 0.605 -4.381 -9.822 770 HB VAL 77 HB VAL 77 2.491 -6.059 -11.519 771 1HG1 VAL 77 2HG VAL 77 2.333 -3.086 -10.893 772 2HG1 VAL 77 3HG VAL 77 3.540 -3.841 -11.929 773 3HG1 VAL 77 1HG VAL 77 1.844 -3.847 -12.405 774 1HG2 VAL 77 3HG VAL 77 3.163 -4.533 -8.973 775 2HG2 VAL 77 1HG VAL 77 3.216 -6.280 -9.163 776 3HG2 VAL 77 2HG VAL 77 4.342 -5.264 -10.059 777 QG1 VAL 77 QG1 VAL 77 2.572 -3.591 -11.743 778 QG2 VAL 77 QG2 VAL 77 3.574 -5.359 -9.399 779 QQG VAL 77 QQG VAL 77 3.073 -4.475 -10.571 780 H LEU 78 HN LEU 78 -0.343 -3.684 -11.911 781 HA LEU 78 HA LEU 78 -1.631 -5.843 -13.390 782 1HB LEU 78 2HB LEU 78 -2.704 -3.208 -12.295 783 2HB LEU 78 3HB LEU 78 -3.539 -4.076 -13.576 784 HG LEU 78 HG LEU 78 -2.771 -5.541 -11.051 785 1HD1 LEU 78 1HD LEU 78 -5.270 -3.850 -11.456 786 2HD1 LEU 78 2HD LEU 78 -5.010 -4.971 -10.123 787 3HD1 LEU 78 3HD LEU 78 -3.996 -3.544 -10.276 788 1HD2 LEU 78 3HD LEU 78 -5.038 -5.809 -13.069 789 2HD2 LEU 78 1HD LEU 78 -3.603 -6.825 -12.993 790 3HD2 LEU 78 2HD LEU 78 -4.781 -6.866 -11.685 791 QB LEU 78 QB LEU 78 -3.122 -3.642 -12.935 792 QD1 LEU 78 QD1 LEU 78 -4.759 -4.122 -10.618 793 QD2 LEU 78 QD2 LEU 78 -4.474 -6.500 -12.583 794 QQD LEU 78 QQD LEU 78 -4.617 -5.311 -11.601 795 H ILE 79 HN ILE 79 -2.716 -4.433 -15.011 796 HA ILE 79 HA ILE 79 -2.691 -3.651 -17.121 797 HB ILE 79 HB ILE 79 -0.582 -1.864 -16.117 798 1HG1 ILE 79 2HG ILE 79 -2.441 -1.509 -14.701 799 2HG1 ILE 79 3HG ILE 79 -2.510 -0.214 -15.876 800 1HG2 ILE 79 1HG ILE 79 -2.444 -1.560 -18.514 801 2HG2 ILE 79 2HG ILE 79 -1.341 -0.310 -17.948 802 3HG2 ILE 79 3HG ILE 79 -0.706 -1.821 -18.589 803 1HD1 ILE 79 2HD ILE 79 -4.202 -1.503 -17.185 804 2HD1 ILE 79 3HD ILE 79 -4.175 -2.753 -15.947 805 3HD1 ILE 79 1HD ILE 79 -4.745 -1.140 -15.553 806 QG1 ILE 79 QG1 ILE 79 -2.475 -0.862 -15.289 807 QG2 ILE 79 QG2 ILE 79 -1.497 -1.230 -18.350 808 QD1 ILE 79 QD1 ILE 79 -4.374 -1.798 -16.228 809 H ASN 80 HN ASN 80 0.237 -3.954 -16.140 810 HA ASN 80 HA ASN 80 1.604 -4.457 -18.644 811 1HB ASN 80 2HB ASN 80 2.852 -3.677 -16.623 812 2HB ASN 80 3HB ASN 80 2.547 -5.229 -15.852 813 1HD2 ASN 80 2HD ASN 80 5.619 -4.904 -18.411 814 2HD2 ASN 80 1HD ASN 80 4.748 -3.562 -17.849 815 QB ASN 80 QB ASN 80 2.700 -4.453 -16.236 816 QD2 ASN 80 QD2 ASN 80 5.184 -4.233 -18.130 817 H ASN 81 HN ASN 81 0.574 -6.585 -16.009 818 HA ASN 81 HA ASN 81 0.586 -8.855 -17.944 819 1HB ASN 81 2HB ASN 81 1.244 -10.329 -16.029 820 2HB ASN 81 3HB ASN 81 2.478 -9.150 -16.443 821 1HD2 ASN 81 ASN 81 0.348 -8.049 -13.113 822 2HD2 ASN 81 1HD ASN 81 -0.493 -8.463 -14.529 823 QB ASN 81 QB ASN 81 1.861 -9.739 -16.236 824 QD2 ASN 81 QD2 ASN 81 -0.073 -8.256 -13.822 Start of MODEL 13 Raw file had 824 H/Q atoms Start of MODEL 13 1 1H HIS 1 HN1 HIS 1 7.488 14.847 -20.584 2 2H HIS 1 HN2 HIS 1 7.951 13.262 -20.462 3 3H HIS 1 HN3 HIS 1 6.952 13.923 -19.319 4 HA HIS 1 HA HIS 1 8.656 14.501 -18.091 5 1HB HIS 1 2HB HIS 1 10.645 13.895 -20.244 6 2HB HIS 1 3HB HIS 1 10.745 13.571 -18.538 7 HD1 HIS 1 HD1 HIS 1 8.896 11.647 -17.793 8 HD2 HIS 1 HD2 HIS 1 10.194 11.568 -21.708 9 HE1 HIS 1 HE1 HIS 1 8.262 9.393 -18.728 10 QB HIS 1 QB HIS 1 10.695 13.733 -19.391 11 H HIS 2 HN HIS 2 7.526 16.670 -19.113 12 HA HIS 2 HA HIS 2 9.776 18.331 -20.218 13 1HB HIS 2 2HB HIS 2 8.252 19.638 -21.391 14 2HB HIS 2 3HB HIS 2 7.639 18.027 -21.605 15 HD1 HIS 2 HD1 HIS 2 6.973 21.050 -19.547 16 HD2 HIS 2 HD2 HIS 2 4.935 17.726 -20.850 17 HE1 HIS 2 HE1 HIS 2 4.561 21.386 -18.891 18 QB HIS 2 QB HIS 2 7.945 18.833 -21.498 19 H SER 3 HN SER 3 6.960 18.350 -18.096 20 HA SER 3 HA SER 3 8.440 20.212 -16.281 21 1HB SER 3 2HB SER 3 6.581 21.412 -17.466 22 2HB SER 3 3HB SER 3 5.432 20.236 -16.801 23 HG SER 3 HG SER 3 6.177 20.795 -14.720 24 QB SER 3 QB SER 3 6.006 20.824 -17.134 25 H GLY 4 HN GLY 4 8.227 17.275 -16.355 26 1HA GLY 4 1HA GLY 4 8.412 16.034 -14.202 27 2HA GLY 4 2HA GLY 4 6.995 16.909 -13.649 28 QA GLY 4 QA GLY 4 7.703 16.471 -13.926 29 H GLU 5 HN GLU 5 5.437 16.580 -16.048 30 HA GLU 5 HA GLU 5 4.157 14.126 -15.381 31 1HB GLU 5 2HB GLU 5 2.641 14.621 -17.081 32 2HB GLU 5 3HB GLU 5 3.266 16.205 -16.679 33 1HG GLU 5 2HG GLU 5 3.965 14.496 -19.079 34 2HG GLU 5 3HG GLU 5 3.196 16.070 -19.069 35 QB GLU 5 QB GLU 5 2.953 15.413 -16.880 36 QG GLU 5 QG GLU 5 3.581 15.284 -19.075 37 H HIS 6 HN HIS 6 3.954 12.187 -16.643 38 HA HIS 6 HA HIS 6 6.252 11.613 -18.443 39 1HB HIS 6 2HB HIS 6 5.487 10.214 -15.891 40 2HB HIS 6 3HB HIS 6 6.199 9.287 -17.181 41 HD1 HIS 6 HD1 HIS 6 7.142 12.698 -15.902 42 HD2 HIS 6 HD2 HIS 6 8.873 8.978 -16.356 43 HE1 HIS 6 HE1 HIS 6 9.563 12.952 -15.291 44 QB HIS 6 QB HIS 6 5.844 9.751 -16.536 45 H PHE 7 HN PHE 7 5.811 9.352 -19.450 46 HA PHE 7 HA PHE 7 3.066 9.509 -20.505 47 1HB PHE 7 2HB PHE 7 5.327 7.611 -21.237 48 2HB PHE 7 3HB PHE 7 3.868 7.914 -22.179 49 HD1 PHE 7 1HD PHE 7 3.427 10.608 -22.499 50 HD2 PHE 7 2HD PHE 7 7.241 8.773 -21.991 51 HE1 PHE 7 1HE PHE 7 4.504 12.575 -23.481 52 HE2 PHE 7 2HE PHE 7 8.312 10.745 -22.981 53 HZ PHE 7 HZ PHE 7 6.947 12.653 -23.723 54 QB PHE 7 QB PHE 7 4.598 7.763 -21.708 55 QR PHE 7 QR PHE 7 5.871 10.675 -22.738 56 H GLU 8 HN GLU 8 2.626 8.960 -18.065 57 HA GLU 8 HA GLU 8 2.108 6.013 -17.935 58 1HB GLU 8 2HB GLU 8 3.864 6.589 -16.302 59 2HB GLU 8 3HB GLU 8 2.861 7.875 -15.645 60 1HG GLU 8 2HG GLU 8 2.659 5.905 -14.207 61 2HG GLU 8 3HG GLU 8 1.129 6.128 -15.044 62 QB GLU 8 QB GLU 8 3.362 7.232 -15.973 63 QG GLU 8 QG GLU 8 1.894 6.016 -14.625 64 H GLY 9 HN GLY 9 0.053 5.449 -17.184 65 1HA GLY 9 1HA GLY 9 -1.832 7.756 -16.765 66 2HA GLY 9 2HA GLY 9 -2.258 6.386 -17.771 67 QA GLY 9 QA GLY 9 -2.045 7.071 -17.269 68 H GLU 10 HN GLU 10 -2.268 4.217 -16.605 69 HA GLU 10 HA GLU 10 -3.419 4.663 -13.893 70 1HB GLU 10 2HB GLU 10 -4.330 2.198 -14.503 71 2HB GLU 10 3HB GLU 10 -5.166 3.670 -14.961 72 1HG GLU 10 2HG GLU 10 -3.112 2.402 -16.791 73 2HG GLU 10 3HG GLU 10 -4.797 1.900 -16.807 74 QB GLU 10 QB GLU 10 -4.748 2.933 -14.733 75 QG GLU 10 QG GLU 10 -3.955 2.151 -16.800 76 H LYS 11 HN LYS 11 -1.932 4.332 -12.381 77 HA LYS 11 HA LYS 11 -0.308 1.805 -12.482 78 1HB LYS 11 2HB LYS 11 0.155 4.467 -11.695 79 2HB LYS 11 3HB LYS 11 0.953 3.335 -10.687 80 1HG LYS 11 2HG LYS 11 1.220 3.293 -13.719 81 2HG LYS 11 3HG LYS 11 2.350 4.184 -12.706 82 1HD LYS 11 2HD LYS 11 2.762 2.035 -11.415 83 2HD LYS 11 3HD LYS 11 1.745 1.198 -12.576 84 1HE LYS 11 2HE LYS 11 4.121 0.937 -13.136 85 2HE LYS 11 3HE LYS 11 3.284 1.838 -14.391 86 1HZ LYS 11 1HZ LYS 11 4.224 3.652 -12.474 87 2HZ LYS 11 2HZ LYS 11 5.494 2.607 -12.829 88 3HZ LYS 11 3HZ LYS 11 4.714 3.481 -14.103 89 QB LYS 11 QB LYS 11 0.555 3.901 -11.191 90 QG LYS 11 QG LYS 11 1.784 3.738 -13.212 91 QD LYS 11 QD LYS 11 2.254 1.617 -11.996 92 QE LYS 11 QE LYS 11 3.703 1.387 -13.764 93 QZ LYS 11 QZ LYS 11 4.811 3.246 -13.136 94 H VAL 12 HN VAL 12 -1.663 0.899 -11.608 95 HA VAL 12 HA VAL 12 -2.462 1.343 -8.770 96 HB VAL 12 HB VAL 12 -4.222 1.155 -10.816 97 1HG1 VAL 12 1HG VAL 12 -3.629 -1.198 -11.344 98 2HG1 VAL 12 2HG VAL 12 -4.087 -1.679 -9.712 99 3HG1 VAL 12 3HG VAL 12 -5.301 -1.043 -10.819 100 1HG2 VAL 12 1HG VAL 12 -4.714 1.811 -8.496 101 2HG2 VAL 12 2HG VAL 12 -5.919 0.670 -9.080 102 3HG2 VAL 12 3HG VAL 12 -4.650 0.126 -7.992 103 QG1 VAL 12 QG1 VAL 12 -4.339 -1.306 -10.625 104 QG2 VAL 12 QG2 VAL 12 -5.094 0.869 -8.523 105 QQG VAL 12 QQG VAL 12 -4.717 -0.218 -9.574 106 H PHE 13 HN PHE 13 -2.310 -0.244 -7.331 107 HA PHE 13 HA PHE 13 -1.312 -2.904 -8.082 108 1HB PHE 13 2HB PHE 13 0.096 -1.640 -5.776 109 2HB PHE 13 3HB PHE 13 0.731 -2.736 -6.994 110 HD1 PHE 13 1HD PHE 13 -0.433 0.784 -6.552 111 HD2 PHE 13 2HD PHE 13 2.065 -1.877 -8.741 112 HE1 PHE 13 1HE PHE 13 0.431 2.673 -7.856 113 HE2 PHE 13 2HE PHE 13 2.972 0.015 -10.006 114 HZ PHE 13 HZ PHE 13 2.167 2.291 -9.545 115 QB PHE 13 QB PHE 13 0.413 -2.188 -6.385 116 QR PHE 13 QR PHE 13 1.259 0.399 -8.289 117 NH1 ARG 14 NH2 ARG 14 -4.579 -8.199 -6.379 118 NH2 ARG 14 NH1 ARG 14 -5.051 -8.345 -8.592 119 H ARG 14 HN ARG 14 -1.800 -4.399 -6.374 120 HA ARG 14 HA ARG 14 -3.524 -3.233 -4.229 121 1HB ARG 14 2HB ARG 14 -3.657 -5.930 -5.655 122 2HB ARG 14 3HB ARG 14 -4.664 -5.481 -4.295 123 1HG ARG 14 2HG ARG 14 -5.841 -3.853 -5.546 124 2HG ARG 14 3HG ARG 14 -4.607 -3.799 -6.800 125 1HD ARG 14 2HD ARG 14 -6.418 -6.178 -6.191 126 2HD ARG 14 3HD ARG 14 -6.570 -5.095 -7.576 127 HE ARG 14 HE ARG 14 -4.214 -5.896 -8.216 128 1HH1 ARG 14 2HH ARG 14 -4.431 -7.636 -5.578 129 2HH1 ARG 14 1HH ARG 14 -4.488 -9.205 -6.304 130 1HH2 ARG 14 2HH ARG 14 -5.230 -7.890 -9.468 131 2HH2 ARG 14 1HH ARG 14 -5.006 -9.354 -8.561 132 QB ARG 14 QB ARG 14 -4.160 -5.705 -4.975 133 QG ARG 14 QG ARG 14 -5.223 -3.826 -6.173 134 QD ARG 14 QD ARG 14 -6.494 -5.637 -6.883 135 QH1 ARG 14 QH2 ARG 14 -4.459 -8.421 -5.941 136 QH2 ARG 14 QH1 ARG 14 -5.118 -8.622 -9.015 137 H VAL 15 HN VAL 15 -2.469 -3.512 -2.289 138 HA VAL 15 HA VAL 15 -0.272 -5.460 -2.136 139 HB VAL 15 HB VAL 15 -1.562 -3.625 -0.061 140 1HG1 VAL 15 1HG VAL 15 0.946 -5.349 0.159 141 2HG1 VAL 15 2HG VAL 15 0.412 -4.176 1.360 142 3HG1 VAL 15 3HG VAL 15 -0.554 -5.610 1.045 143 1HG2 VAL 15 2HG VAL 15 -0.312 -2.515 -1.890 144 2HG2 VAL 15 3HG VAL 15 0.528 -2.329 -0.351 145 3HG2 VAL 15 1HG VAL 15 1.091 -3.511 -1.532 146 QG1 VAL 15 QG1 VAL 15 0.268 -5.045 0.855 147 QG2 VAL 15 QG2 VAL 15 0.436 -2.785 -1.258 148 QQG VAL 15 QQG VAL 15 0.352 -3.915 -0.201 149 H ASN 16 HN ASN 16 -0.565 -7.545 -1.493 150 HA ASN 16 HA ASN 16 -3.277 -8.310 -0.558 151 1HB ASN 16 2HB ASN 16 -1.158 -9.610 -2.114 152 2HB ASN 16 3HB ASN 16 -1.781 -10.656 -0.850 153 1HD2 ASN 16 2HD ASN 16 -4.707 -11.352 -2.628 154 2HD2 ASN 16 1HD ASN 16 -3.702 -11.716 -1.307 155 QB ASN 16 QB ASN 16 -1.469 -10.133 -1.482 156 QD2 ASN 16 QD2 ASN 16 -4.205 -11.534 -1.967 157 H VAL 17 HN VAL 17 -2.511 -7.051 1.329 158 HA VAL 17 HA VAL 17 -0.585 -7.473 3.172 159 HB VAL 17 HB VAL 17 -2.438 -5.943 3.575 160 1HG1 VAL 17 3HG VAL 17 -4.249 -7.399 2.731 161 2HG1 VAL 17 1HG VAL 17 -4.115 -8.390 4.179 162 3HG1 VAL 17 2HG VAL 17 -4.626 -6.712 4.300 163 1HG2 VAL 17 2HG VAL 17 -2.194 -8.028 5.771 164 2HG2 VAL 17 3HG VAL 17 -1.155 -6.624 5.546 165 3HG2 VAL 17 1HG VAL 17 -2.842 -6.407 5.985 166 QG1 VAL 17 QG1 VAL 17 -4.330 -7.500 3.736 167 QG2 VAL 17 QG2 VAL 17 -2.063 -7.020 5.767 168 QQG VAL 17 QQG VAL 17 -3.197 -7.260 4.752 169 H GLU 18 HN GLU 18 0.308 -9.072 4.233 170 HA GLU 18 HA GLU 18 -1.019 -11.693 4.243 171 1HB GLU 18 2HB GLU 18 1.796 -10.831 5.014 172 2HB GLU 18 3HB GLU 18 1.225 -12.485 4.919 173 1HG GLU 18 2HG GLU 18 0.514 -11.844 2.464 174 2HG GLU 18 3HG GLU 18 1.648 -10.518 2.670 175 QB GLU 18 QB GLU 18 1.510 -11.657 4.966 176 QG GLU 18 QG GLU 18 1.081 -11.182 2.567 177 H ASP 19 HN ASP 19 0.717 -9.638 6.588 178 HA ASP 19 HA ASP 19 -1.215 -10.416 8.682 179 1HB ASP 19 2HB ASP 19 1.739 -11.007 8.799 180 2HB ASP 19 3HB ASP 19 0.848 -10.712 10.267 181 QB ASP 19 QB ASP 19 1.293 -10.859 9.533 182 H GLU 20 HN GLU 20 0.093 -9.272 10.792 183 HA GLU 20 HA GLU 20 -0.528 -6.554 10.525 184 1HB GLU 20 2HB GLU 20 1.330 -8.047 12.426 185 2HB GLU 20 3HB GLU 20 0.882 -6.379 12.634 186 1HG GLU 20 2HG GLU 20 -1.499 -6.986 12.826 187 2HG GLU 20 3HG GLU 20 -1.100 -8.672 12.523 188 QB GLU 20 QB GLU 20 1.106 -7.213 12.530 189 QG GLU 20 QG GLU 20 -1.300 -7.829 12.675 190 H ASN 21 HN ASN 21 2.643 -8.142 10.509 191 HA ASN 21 HA ASN 21 4.444 -6.145 10.132 192 1HB ASN 21 2HB ASN 21 4.799 -8.694 9.884 193 2HB ASN 21 3HB ASN 21 4.450 -8.459 8.173 194 1HD2 ASN 21 2HD ASN 21 7.531 -6.801 7.545 195 2HD2 ASN 21 1HD ASN 21 5.995 -7.175 6.923 196 QB ASN 21 QB ASN 21 4.625 -8.576 9.028 197 QD2 ASN 21 QD2 ASN 21 6.763 -6.988 7.234 198 H ASP 22 HN ASP 22 2.634 -7.489 7.349 199 HA ASP 22 HA ASP 22 3.523 -5.695 5.358 200 1HB ASP 22 2HB ASP 22 2.103 -7.610 4.804 201 2HB ASP 22 3HB ASP 22 0.768 -6.949 5.734 202 QB ASP 22 QB ASP 22 1.435 -7.280 5.269 203 H ILE 23 HN ILE 23 0.720 -5.387 7.514 204 HA ILE 23 HA ILE 23 -0.063 -2.805 6.593 205 HB ILE 23 HB ILE 23 -0.383 -4.039 9.363 206 1HG1 ILE 23 2HG ILE 23 -2.321 -3.975 7.023 207 2HG1 ILE 23 3HG ILE 23 -1.213 -5.308 7.281 208 1HG2 ILE 23 1HG ILE 23 -1.919 -1.805 7.958 209 2HG2 ILE 23 2HG ILE 23 -2.316 -2.482 9.533 210 3HG2 ILE 23 3HG ILE 23 -0.822 -1.583 9.316 211 1HD1 ILE 23 1HD ILE 23 -3.301 -4.368 9.274 212 2HD1 ILE 23 2HD ILE 23 -3.410 -5.807 8.263 213 3HD1 ILE 23 3HD ILE 23 -2.177 -5.703 9.515 214 QG1 ILE 23 QG1 ILE 23 -1.767 -4.642 7.152 215 QG2 ILE 23 QG2 ILE 23 -1.685 -1.957 8.936 216 QD1 ILE 23 QD1 ILE 23 -2.962 -5.292 9.017 217 H SER 24 HN SER 24 2.223 -3.770 9.143 218 HA SER 24 HA SER 24 2.786 -1.098 10.082 219 1HB SER 24 2HB SER 24 4.778 -3.423 9.993 220 2HB SER 24 3HB SER 24 4.699 -2.104 11.183 221 HG SER 24 HG SER 24 3.310 -3.322 12.218 222 QB SER 24 QB SER 24 4.738 -2.764 10.588 223 H GLU 25 HN GLU 25 4.546 -3.195 7.837 224 HA GLU 25 HA GLU 25 6.481 -1.420 6.897 225 1HB GLU 25 2HB GLU 25 4.934 -3.602 5.442 226 2HB GLU 25 3HB GLU 25 6.395 -2.860 4.813 227 1HG GLU 25 2HG GLU 25 7.604 -3.576 6.901 228 2HG GLU 25 3HG GLU 25 6.149 -4.422 7.409 229 QB GLU 25 QB GLU 25 5.664 -3.231 5.128 230 QG GLU 25 QG GLU 25 6.877 -3.999 7.155 231 H LEU 26 HN LEU 26 3.224 -1.959 5.613 232 HA LEU 26 HA LEU 26 3.298 -0.013 3.519 233 1HB LEU 26 2HB LEU 26 1.515 -1.904 4.287 234 2HB LEU 26 3HB LEU 26 0.741 -0.516 5.024 235 HG LEU 26 HG LEU 26 1.558 -0.660 2.097 236 1HD1 LEU 26 3HD LEU 26 -0.217 -2.301 2.658 237 2HD1 LEU 26 1HD LEU 26 -1.171 -1.019 3.395 238 3HD1 LEU 26 2HD LEU 26 -0.853 -0.996 1.664 239 1HD2 LEU 26 3HD LEU 26 -0.162 1.300 3.660 240 2HD2 LEU 26 1HD LEU 26 1.402 1.643 2.931 241 3HD2 LEU 26 2HD LEU 26 0.019 1.300 1.913 242 QB LEU 26 QB LEU 26 1.128 -1.209 4.655 243 QD1 LEU 26 QD1 LEU 26 -0.747 -1.439 2.572 244 QD2 LEU 26 QD2 LEU 26 0.419 1.414 2.835 245 QQD LEU 26 QQD LEU 26 -0.164 -0.012 2.704 246 H HIS 27 HN HIS 27 2.318 0.218 6.919 247 HA HIS 27 HA HIS 27 1.348 2.877 6.946 248 1HB HIS 27 2HB HIS 27 2.700 1.131 8.962 249 2HB HIS 27 3HB HIS 27 2.513 2.807 9.347 250 HD1 HIS 27 HD1 HIS 27 0.771 2.584 11.045 251 HD2 HIS 27 HD2 HIS 27 -0.388 0.667 7.599 252 HE1 HIS 27 HE1 HIS 27 -1.634 1.927 11.373 253 QB HIS 27 QB HIS 27 2.607 1.969 9.154 254 H GLU 28 HN GLU 28 4.601 1.620 6.994 255 HA GLU 28 HA GLU 28 6.146 3.886 7.600 256 1HB GLU 28 2HB GLU 28 6.806 1.417 6.969 257 2HB GLU 28 3HB GLU 28 6.884 2.036 5.332 258 1HG GLU 28 2HG GLU 28 8.418 3.899 6.371 259 2HG GLU 28 3HG GLU 28 8.599 2.756 7.701 260 QB GLU 28 QB GLU 28 6.845 1.727 6.151 261 QG GLU 28 QG GLU 28 8.508 3.328 7.036 262 H LEU 29 HN LEU 29 4.375 3.158 4.687 263 HA LEU 29 HA LEU 29 5.570 5.388 3.168 264 1HB LEU 29 2HB LEU 29 4.966 3.240 2.047 265 2HB LEU 29 3HB LEU 29 3.291 3.472 2.515 266 HG LEU 29 HG LEU 29 3.260 5.629 1.204 267 1HD1 LEU 29 2HD LEU 29 5.987 4.649 0.273 268 2HD1 LEU 29 3HD LEU 29 5.093 5.988 -0.440 269 3HD1 LEU 29 1HD LEU 29 5.682 6.109 1.215 270 1HD2 LEU 29 1HD LEU 29 2.422 3.519 0.238 271 2HD2 LEU 29 2HD LEU 29 3.173 4.517 -1.005 272 3HD2 LEU 29 3HD LEU 29 4.039 3.131 -0.340 273 QB LEU 29 QB LEU 29 4.128 3.356 2.281 274 QD1 LEU 29 QD1 LEU 29 5.588 5.582 0.350 275 QD2 LEU 29 QD2 LEU 29 3.211 3.723 -0.369 276 QQD LEU 29 QQD LEU 29 4.399 4.653 -0.010 277 H ALA 30 HN ALA 30 2.354 4.469 4.327 278 HA ALA 30 HA ALA 30 0.970 6.827 3.570 279 1HB ALA 30 1HB ALA 30 -0.174 4.793 4.385 280 2HB ALA 30 2HB ALA 30 0.485 5.061 5.996 281 3HB ALA 30 3HB ALA 30 -0.674 6.202 5.318 282 QB ALA 30 QB ALA 30 -0.121 5.352 5.233 283 H SER 31 HN SER 31 3.237 6.308 6.125 284 HA SER 31 HA SER 31 2.426 8.800 7.495 285 1HB SER 31 2HB SER 31 4.675 6.856 8.123 286 2HB SER 31 3HB SER 31 4.056 8.138 9.178 287 HG SER 31 HG SER 31 2.840 5.747 8.339 288 QB SER 31 QB SER 31 4.365 7.497 8.651 289 H THR 32 HN THR 32 3.806 8.751 4.751 290 HA THR 32 HA THR 32 5.921 10.729 5.541 291 HB THR 32 HB THR 32 7.282 9.973 3.588 292 HG1 THR 32 1HG THR 32 5.521 7.784 3.372 293 1HG2 THR 32 2HG THR 32 6.337 7.616 5.290 294 2HG2 THR 32 3HG THR 32 7.850 7.697 4.396 295 3HG2 THR 32 1HG THR 32 7.587 8.751 5.782 296 QG2 THR 32 QG2 THR 32 7.258 8.021 5.156 297 NH1 ARG 33 NH1 ARG 33 5.365 7.919 -2.020 298 NH2 ARG 33 NH2 ARG 33 4.041 8.461 -3.815 299 H ARG 33 HN ARG 33 4.175 9.671 2.624 300 HA ARG 33 HA ARG 33 3.885 12.551 1.876 301 1HB ARG 33 2HB ARG 33 3.145 10.117 0.205 302 2HB ARG 33 3HB ARG 33 3.286 11.777 -0.353 303 1HG ARG 33 2HG ARG 33 5.742 11.659 0.406 304 2HG ARG 33 3HG ARG 33 5.505 9.920 0.529 305 1HD ARG 33 2HD ARG 33 5.338 11.681 -1.937 306 2HD ARG 33 3HD ARG 33 6.322 10.244 -1.694 307 HE ARG 33 HE ARG 33 3.350 10.230 -2.173 308 1HH1 ARG 33 2HH ARG 33 5.691 8.169 -1.099 309 2HH1 ARG 33 1HH ARG 33 5.655 7.055 -2.437 310 1HH2 ARG 33 2HH ARG 33 3.405 9.122 -4.238 311 2HH2 ARG 33 1HH ARG 33 4.250 7.618 -4.307 312 QB ARG 33 QB ARG 33 3.215 10.947 -0.074 313 QG ARG 33 QG ARG 33 5.623 10.790 0.468 314 QD ARG 33 QD ARG 33 5.830 10.963 -1.815 315 QH1 ARG 33 QH1 ARG 33 5.674 7.612 -1.768 316 QH2 ARG 33 QH2 ARG 33 3.828 8.370 -4.272 317 H GLN 34 HN GLN 34 1.720 12.726 0.466 318 HA GLN 34 HA GLN 34 -0.491 12.074 2.359 319 1HB GLN 34 2HB GLN 34 -0.549 14.125 0.113 320 2HB GLN 34 3HB GLN 34 -1.653 13.993 1.475 321 1HG GLN 34 2HG GLN 34 0.309 14.491 3.008 322 2HG GLN 34 3HG GLN 34 1.263 14.836 1.566 323 1HE2 GLN 34 2HE GLN 34 -0.081 18.090 1.286 324 2HE2 GLN 34 1HE GLN 34 1.176 17.014 0.902 325 QB GLN 34 QB GLN 34 -1.101 14.059 0.794 326 QG GLN 34 QG GLN 34 0.786 14.663 2.286 327 QE2 GLN 34 QE2 GLN 34 0.548 17.552 1.094 328 H ILE 35 HN ILE 35 -0.830 10.002 1.586 329 HA ILE 35 HA ILE 35 -1.833 9.800 -1.226 330 HB ILE 35 HB ILE 35 -1.213 7.396 -1.137 331 1HG1 ILE 35 2HG ILE 35 0.085 8.064 1.537 332 2HG1 ILE 35 3HG ILE 35 -1.446 7.215 1.381 333 1HG2 ILE 35 2HG ILE 35 0.420 9.088 -1.977 334 2HG2 ILE 35 3HG ILE 35 1.077 9.243 -0.350 335 3HG2 ILE 35 1HG ILE 35 1.230 7.724 -1.227 336 1HD1 ILE 35 3HD ILE 35 -0.344 5.442 0.057 337 2HD1 ILE 35 1HD ILE 35 1.198 6.279 0.201 338 3HD1 ILE 35 2HD ILE 35 0.422 5.614 1.630 339 QG1 ILE 35 QG1 ILE 35 -0.681 7.640 1.459 340 QG2 ILE 35 QG2 ILE 35 0.909 8.685 -1.185 341 QD1 ILE 35 QD1 ILE 35 0.425 5.778 0.630 342 H ASP 36 HN ASP 36 -3.664 8.358 -1.530 343 HA ASP 36 HA ASP 36 -5.280 8.018 0.949 344 1HB ASP 36 2HB ASP 36 -7.273 8.440 -0.642 345 2HB ASP 36 3HB ASP 36 -6.310 9.832 -0.189 346 QB ASP 36 QB ASP 36 -6.792 9.137 -0.415 347 H PHE 37 HN PHE 37 -6.829 6.293 0.864 348 HA PHE 37 HA PHE 37 -6.061 4.105 -1.033 349 1HB PHE 37 2HB PHE 37 -6.761 3.930 1.928 350 2HB PHE 37 3HB PHE 37 -6.683 2.529 0.862 351 HD1 PHE 37 1HD PHE 37 -4.653 5.274 2.355 352 HD2 PHE 37 2HD PHE 37 -4.569 1.666 0.092 353 HE1 PHE 37 1HE PHE 37 -2.219 5.138 2.657 354 HE2 PHE 37 2HE PHE 37 -2.143 1.524 0.403 355 HZ PHE 37 HZ PHE 37 -0.957 3.270 1.674 356 QB PHE 37 QB PHE 37 -6.723 3.229 1.395 357 QR PHE 37 QR PHE 37 -3.396 3.400 1.376 358 CH2 TRP 38 CH2 TRP 38 -7.401 6.145 -6.921 359 H TRP 38 HN TRP 38 -7.825 2.716 -1.621 360 HA TRP 38 HA TRP 38 -10.499 3.979 -1.118 361 1HB TRP 38 2HB TRP 38 -9.602 2.600 -3.642 362 2HB TRP 38 3HB TRP 38 -11.097 3.466 -3.400 363 HD1 TRP 38 HD1 TRP 38 -9.688 6.039 -1.899 364 HE1 TRP 38 HE1 TRP 38 -8.310 7.661 -3.206 365 HE3 TRP 38 HE3 TRP 38 -8.864 3.232 -5.954 366 HZ2 TRP 38 HZ2 TRP 38 -7.224 7.903 -5.712 367 HZ3 TRP 38 HZ3 TRP 38 -7.693 4.264 -7.885 368 HH2 TRP 38 HH2 TRP 38 -6.904 6.584 -7.772 369 QB TRP 38 QB TRP 38 -10.350 3.033 -3.521 370 H LYS 39 HN LYS 39 -8.894 0.975 -2.076 371 HA LYS 39 HA LYS 39 -11.116 -0.544 -0.744 372 1HB LYS 39 2HB LYS 39 -9.106 -1.452 -2.834 373 2HB LYS 39 3HB LYS 39 -10.380 -2.452 -2.150 374 1HG LYS 39 2HG LYS 39 -12.109 -1.128 -3.150 375 2HG LYS 39 3HG LYS 39 -10.990 0.160 -3.566 376 1HD LYS 39 2HD LYS 39 -10.769 -2.659 -4.691 377 2HD LYS 39 3HD LYS 39 -11.664 -1.384 -5.498 378 1HE LYS 39 2HE LYS 39 -8.708 -1.283 -4.786 379 2HE LYS 39 3HE LYS 39 -9.364 -1.540 -6.391 380 1HZ LYS 39 2HZ LYS 39 -10.570 0.765 -5.422 381 2HZ LYS 39 3HZ LYS 39 -8.920 0.882 -5.024 382 3HZ LYS 39 1HZ LYS 39 -9.377 0.646 -6.638 383 QB LYS 39 QB LYS 39 -9.743 -1.952 -2.492 384 QG LYS 39 QG LYS 39 -11.549 -0.483 -3.358 385 QD LYS 39 QD LYS 39 -11.217 -2.022 -5.094 386 QE LYS 39 QE LYS 39 -9.036 -1.411 -5.588 387 QZ LYS 39 QZ LYS 39 -9.622 0.764 -5.695 388 HA PRO 40 HA PRO 40 -11.607 -1.033 1.207 389 1HB PRO 40 2HB PRO 40 -10.135 -0.951 3.808 390 2HB PRO 40 3HB PRO 40 -11.685 -1.710 3.423 391 1HG PRO 40 2HG PRO 40 -9.402 -3.181 3.745 392 2HG PRO 40 3HG PRO 40 -10.671 -3.676 2.617 393 1HD PRO 40 2HD PRO 40 -7.994 -2.457 2.036 394 2HD PRO 40 3HD PRO 40 -8.977 -3.535 1.026 395 QB PRO 40 QB PRO 40 -10.910 -1.331 3.615 396 QG PRO 40 QG PRO 40 -10.036 -3.429 3.181 397 QD PRO 40 QD PRO 40 -8.486 -2.996 1.530 398 H ASP 41 HN ASP 41 -12.226 0.912 2.651 399 HA ASP 41 HA ASP 41 -10.757 3.235 1.641 400 1HB ASP 41 2HB ASP 41 -13.276 3.119 1.776 401 2HB ASP 41 3HB ASP 41 -13.141 3.130 3.534 402 QB ASP 41 QB ASP 41 -13.208 3.124 2.655 403 H SER 42 HN SER 42 -8.903 2.118 3.031 404 HA SER 42 HA SER 42 -8.251 3.956 5.104 405 1HB SER 42 2HB SER 42 -9.951 2.820 6.466 406 2HB SER 42 3HB SER 42 -9.257 1.240 6.062 407 HG SER 42 HG SER 42 -8.464 3.020 7.954 408 QB SER 42 QB SER 42 -9.604 2.030 6.264 409 H VAL 43 HN VAL 43 -6.426 3.200 6.398 410 HA VAL 43 HA VAL 43 -4.660 1.216 5.028 411 HB VAL 43 HB VAL 43 -4.047 3.577 4.417 412 1HG1 VAL 43 1HG VAL 43 -4.842 4.661 6.509 413 2HG1 VAL 43 2HG VAL 43 -3.540 3.882 7.402 414 3HG1 VAL 43 3HG VAL 43 -3.168 5.080 6.171 415 1HG2 VAL 43 1HG VAL 43 -2.282 1.829 4.562 416 2HG2 VAL 43 2HG VAL 43 -1.663 3.416 5.002 417 3HG2 VAL 43 3HG VAL 43 -2.020 2.238 6.257 418 QG1 VAL 43 QG1 VAL 43 -3.850 4.542 6.694 419 QG2 VAL 43 QG2 VAL 43 -1.989 2.495 5.274 420 QQG VAL 43 QQG VAL 43 -2.920 3.518 5.984 421 H THR 44 HN THR 44 -6.355 2.057 7.617 422 HA THR 44 HA THR 44 -4.523 0.871 9.658 423 HB THR 44 HB THR 44 -6.196 2.106 11.254 424 HG1 THR 44 1HG THR 44 -6.979 3.961 9.732 425 1HG2 THR 44 1HG THR 44 -4.623 3.849 9.285 426 2HG2 THR 44 2HG THR 44 -5.140 4.326 10.901 427 3HG2 THR 44 3HG THR 44 -3.909 3.084 10.700 428 QG2 THR 44 QG2 THR 44 -4.557 3.753 10.295 429 H GLN 45 HN GLN 45 -7.877 1.206 8.631 430 HA GLN 45 HA GLN 45 -8.789 -1.088 10.214 431 1HB GLN 45 2HB GLN 45 -10.167 0.587 8.079 432 2HB GLN 45 3HB GLN 45 -10.966 -0.668 9.009 433 1HG GLN 45 2HG GLN 45 -10.396 0.570 11.113 434 2HG GLN 45 3HG GLN 45 -9.707 1.863 10.131 435 1HE2 GLN 45 2HE GLN 45 -12.948 3.311 10.048 436 2HE2 GLN 45 1HE GLN 45 -11.308 3.514 10.444 437 QB GLN 45 QB GLN 45 -10.566 -0.040 8.543 438 QG GLN 45 QG GLN 45 -10.052 1.216 10.622 439 QE2 GLN 45 QE2 GLN 45 -12.128 3.413 10.246 440 H ILE 46 HN ILE 46 -6.749 -1.902 8.643 441 HA ILE 46 HA ILE 46 -8.038 -3.482 6.447 442 HB ILE 46 HB ILE 46 -5.437 -2.051 6.696 443 1HG1 ILE 46 2HG ILE 46 -5.656 -1.864 4.266 444 2HG1 ILE 46 3HG ILE 46 -6.971 -3.028 4.267 445 1HG2 ILE 46 2HG ILE 46 -5.515 -4.782 5.368 446 2HG2 ILE 46 3HG ILE 46 -4.203 -3.615 5.217 447 3HG2 ILE 46 1HG ILE 46 -4.558 -4.338 6.778 448 1HD1 ILE 46 2HD ILE 46 -7.030 -0.348 5.706 449 2HD1 ILE 46 3HD ILE 46 -7.784 -0.666 4.148 450 3HD1 ILE 46 1HD ILE 46 -8.368 -1.488 5.587 451 QG1 ILE 46 QG1 ILE 46 -6.313 -2.446 4.266 452 QG2 ILE 46 QG2 ILE 46 -4.759 -4.245 5.788 453 QD1 ILE 46 QD1 ILE 46 -7.727 -0.834 5.147 454 H LYS 47 HN LYS 47 -7.666 -5.729 6.469 455 HA LYS 47 HA LYS 47 -6.393 -6.727 8.992 456 1HB LYS 47 2HB LYS 47 -7.942 -8.679 8.835 457 2HB LYS 47 3HB LYS 47 -8.822 -7.163 8.973 458 1HG LYS 47 2HG LYS 47 -9.505 -7.192 6.738 459 2HG LYS 47 3HG LYS 47 -8.179 -8.222 6.241 460 1HD LYS 47 2HD LYS 47 -9.294 -10.060 7.696 461 2HD LYS 47 3HD LYS 47 -10.709 -9.009 7.689 462 1HE LYS 47 2HE LYS 47 -10.817 -10.638 5.819 463 2HE LYS 47 3HE LYS 47 -10.687 -8.989 5.206 464 1HZ LYS 47 3HZ LYS 47 -8.105 -10.056 5.652 465 2HZ LYS 47 1HZ LYS 47 -8.965 -11.111 4.654 466 3HZ LYS 47 2HZ LYS 47 -8.767 -9.489 4.208 467 QB LYS 47 QB LYS 47 -8.383 -7.921 8.904 468 QG LYS 47 QG LYS 47 -8.842 -7.707 6.490 469 QD LYS 47 QD LYS 47 -10.002 -9.535 7.692 470 QE LYS 47 QE LYS 47 -10.753 -9.814 5.512 471 QZ LYS 47 QZ LYS 47 -8.612 -10.219 4.838 472 HA PRO 48 HA PRO 48 -3.555 -9.367 6.693 473 1HB PRO 48 2HB PRO 48 -4.957 -11.560 8.201 474 2HB PRO 48 3HB PRO 48 -3.232 -11.295 7.983 475 1HG PRO 48 2HG PRO 48 -4.434 -10.640 10.302 476 2HG PRO 48 3HG PRO 48 -3.138 -9.632 9.645 477 1HD PRO 48 2HD PRO 48 -6.080 -9.098 9.721 478 2HD PRO 48 3HD PRO 48 -4.728 -7.943 9.715 479 QB PRO 48 QB PRO 48 -4.094 -11.427 8.092 480 QG PRO 48 QG PRO 48 -3.786 -10.136 9.974 481 QD PRO 48 QD PRO 48 -5.404 -8.520 9.718 482 H HIS 49 HN HIS 49 -3.635 -10.647 4.853 483 HA HIS 49 HA HIS 49 -4.519 -11.610 2.932 484 1HB HIS 49 2HB HIS 49 -6.579 -12.596 4.907 485 2HB HIS 49 3HB HIS 49 -6.488 -13.132 3.251 486 HD1 HIS 49 HD1 HIS 49 -6.079 -15.480 4.380 487 HD2 HIS 49 HD2 HIS 49 -2.950 -12.846 4.861 488 HE1 HIS 49 HE1 HIS 49 -4.104 -16.837 5.128 489 QB HIS 49 QB HIS 49 -6.533 -12.864 4.080 490 H SER 50 HN SER 50 -4.962 -9.136 2.689 491 HA SER 50 HA SER 50 -7.737 -8.976 1.623 492 1HB SER 50 2HB SER 50 -6.541 -6.695 3.237 493 2HB SER 50 3HB SER 50 -8.210 -6.843 2.645 494 HG SER 50 HG SER 50 -6.922 -8.090 4.738 495 QB SER 50 QB SER 50 -7.375 -6.769 2.941 496 H THR 51 HN THR 51 -7.920 -6.986 0.241 497 HA THR 51 HA THR 51 -5.361 -6.577 -1.244 498 HB THR 51 HB THR 51 -7.168 -5.819 -3.066 499 HG1 THR 51 1HG THR 51 -9.017 -5.869 -1.962 500 1HG2 THR 51 1HG THR 51 -5.871 -8.023 -3.221 501 2HG2 THR 51 2HG THR 51 -7.105 -8.758 -2.203 502 3HG2 THR 51 3HG THR 51 -7.528 -8.162 -3.806 503 QG2 THR 51 QG2 THR 51 -6.835 -8.315 -3.077 504 H VAL 52 HN VAL 52 -4.509 -4.654 -0.679 505 HA VAL 52 HA VAL 52 -6.415 -2.407 -0.182 506 HB VAL 52 HB VAL 52 -3.515 -2.483 0.673 507 1HG1 VAL 52 2HG VAL 52 -4.655 -0.278 0.589 508 2HG1 VAL 52 3HG VAL 52 -5.925 -0.886 1.641 509 3HG1 VAL 52 1HG VAL 52 -4.281 -0.733 2.245 510 1HG2 VAL 52 1HG VAL 52 -5.965 -3.313 2.273 511 2HG2 VAL 52 2HG VAL 52 -4.708 -4.403 1.705 512 3HG2 VAL 52 3HG VAL 52 -4.330 -3.176 2.909 513 QG1 VAL 52 QG1 VAL 52 -4.954 -0.633 1.492 514 QG2 VAL 52 QG2 VAL 52 -5.001 -3.631 2.296 515 QQG VAL 52 QQG VAL 52 -4.977 -2.131 1.894 516 H ASP 53 HN ASP 53 -6.412 -0.739 -1.720 517 HA ASP 53 HA ASP 53 -4.027 -0.764 -3.552 518 1HB ASP 53 2HB ASP 53 -5.350 -0.456 -5.419 519 2HB ASP 53 3HB ASP 53 -6.417 -1.449 -4.441 520 QB ASP 53 QB ASP 53 -5.883 -0.953 -4.930 521 H PHE 54 HN PHE 54 -3.591 1.164 -4.635 522 HA PHE 54 HA PHE 54 -4.072 3.625 -2.956 523 1HB PHE 54 2HB PHE 54 -1.661 3.346 -4.761 524 2HB PHE 54 3HB PHE 54 -1.885 4.396 -3.380 525 HD1 PHE 54 2HD PHE 54 -1.707 0.745 -4.184 526 HD2 PHE 54 1HD PHE 54 -0.855 3.809 -1.355 527 HE1 PHE 54 2HE PHE 54 -0.441 -0.844 -2.843 528 HE2 PHE 54 1HE PHE 54 0.438 2.213 -0.014 529 HZ PHE 54 HZ PHE 54 0.617 -0.130 -0.732 530 QB PHE 54 QB PHE 54 -1.773 3.871 -4.071 531 QR PHE 54 QR PHE 54 -0.641 1.481 -2.099 532 NH1 ARG 55 NH1 ARG 55 -1.078 10.588 -3.718 533 NH2 ARG 55 NH2 ARG 55 -2.889 11.439 -2.674 534 H ARG 55 HN ARG 55 -3.138 5.579 -4.493 535 HA ARG 55 HA ARG 55 -5.089 5.695 -6.673 536 1HB ARG 55 2HB ARG 55 -4.670 8.057 -6.746 537 2HB ARG 55 3HB ARG 55 -4.670 7.623 -5.042 538 1HG ARG 55 2HG ARG 55 -2.241 7.632 -4.967 539 2HG ARG 55 3HG ARG 55 -2.121 7.817 -6.704 540 1HD ARG 55 2HD ARG 55 -1.785 10.011 -5.927 541 2HD ARG 55 3HD ARG 55 -3.489 10.005 -6.364 542 HE ARG 55 HE ARG 55 -3.971 9.590 -3.916 543 1HH1 ARG 55 2HH ARG 55 -0.681 9.947 -4.383 544 2HH1 ARG 55 1HH ARG 55 -0.468 11.143 -3.171 545 1HH2 ARG 55 2HH ARG 55 -3.888 11.427 -2.558 546 2HH2 ARG 55 1HH ARG 55 -2.319 12.023 -2.086 547 QB ARG 55 QB ARG 55 -4.670 7.840 -5.894 548 QG ARG 55 QG ARG 55 -2.181 7.725 -5.836 549 QD ARG 55 QD ARG 55 -2.636 10.008 -6.146 550 QH1 ARG 55 QH1 ARG 55 -0.575 10.545 -3.778 551 QH2 ARG 55 QH2 ARG 55 -3.104 11.725 -2.322 552 H VAL 56 HN VAL 56 -4.628 6.136 -8.810 553 HA VAL 56 HA VAL 56 -2.032 5.205 -9.765 554 HB VAL 56 HB VAL 56 -3.283 4.970 -11.877 555 1HG1 VAL 56 2HG VAL 56 -3.540 3.186 -10.175 556 2HG1 VAL 56 3HG VAL 56 -4.935 4.021 -9.518 557 3HG1 VAL 56 1HG VAL 56 -4.992 3.358 -11.148 558 1HG2 VAL 56 2HG VAL 56 -5.588 6.281 -10.410 559 2HG2 VAL 56 3HG VAL 56 -4.685 6.993 -11.740 560 3HG2 VAL 56 1HG VAL 56 -5.674 5.569 -12.014 561 QG1 VAL 56 QG1 VAL 56 -4.489 3.521 -10.280 562 QG2 VAL 56 QG2 VAL 56 -5.316 6.281 -11.388 563 QQG VAL 56 QQG VAL 56 -4.903 4.901 -10.834 564 H LYS 57 HN LYS 57 -1.981 7.759 -8.558 565 HA LYS 57 HA LYS 57 -2.173 9.754 -10.713 566 1HB LYS 57 2HB LYS 57 -2.652 10.193 -8.235 567 2HB LYS 57 3HB LYS 57 -0.914 10.142 -7.981 568 1HG LYS 57 2HG LYS 57 -1.428 12.449 -8.283 569 2HG LYS 57 3HG LYS 57 -0.747 11.934 -9.813 570 1HD LYS 57 2HD LYS 57 -3.105 11.557 -10.665 571 2HD LYS 57 3HD LYS 57 -3.703 12.227 -9.158 572 1HE LYS 57 2HE LYS 57 -3.702 14.025 -10.754 573 2HE LYS 57 3HE LYS 57 -2.350 14.323 -9.668 574 1HZ LYS 57 2HZ LYS 57 -1.436 12.689 -11.756 575 2HZ LYS 57 3HZ LYS 57 -2.290 13.988 -12.448 576 3HZ LYS 57 1HZ LYS 57 -0.981 14.279 -11.410 577 QB LYS 57 QB LYS 57 -1.783 10.168 -8.107 578 QG LYS 57 QG LYS 57 -1.087 12.192 -9.048 579 QD LYS 57 QD LYS 57 -3.403 11.892 -9.912 580 QE LYS 57 QE LYS 57 -3.026 14.174 -10.211 581 QZ LYS 57 QZ LYS 57 -1.569 13.651 -11.871 582 H ALA 58 HN ALA 58 -0.723 8.386 -11.983 583 HA ALA 58 HA ALA 58 1.626 7.556 -12.293 584 1HB ALA 58 2HB ALA 58 0.946 10.190 -13.619 585 2HB ALA 58 3HB ALA 58 2.253 9.134 -14.140 586 3HB ALA 58 1HB ALA 58 0.586 8.572 -14.217 587 QB ALA 58 QB ALA 58 1.262 9.298 -13.992 588 H GLU 59 HN GLU 59 1.809 11.066 -11.941 589 HA GLU 59 HA GLU 59 4.553 11.231 -11.414 590 1HB GLU 59 2HB GLU 59 3.988 13.422 -10.237 591 2HB GLU 59 3HB GLU 59 3.433 13.269 -11.893 592 1HG GLU 59 2HG GLU 59 1.539 12.445 -9.715 593 2HG GLU 59 3HG GLU 59 1.825 14.155 -9.948 594 QB GLU 59 QB GLU 59 3.711 13.345 -11.065 595 QG GLU 59 QG GLU 59 1.682 13.300 -9.832 596 H ASP 60 HN ASP 60 1.950 10.942 -8.985 597 HA ASP 60 HA ASP 60 3.906 10.713 -6.781 598 1HB ASP 60 2HB ASP 60 1.681 11.837 -6.457 599 2HB ASP 60 3HB ASP 60 0.885 10.300 -6.753 600 QB ASP 60 QB ASP 60 1.283 11.069 -6.605 601 H ILE 61 HN ILE 61 3.703 8.650 -9.028 602 HA ILE 61 HA ILE 61 2.997 6.247 -7.406 603 HB ILE 61 HB ILE 61 3.855 6.404 -10.329 604 1HG1 ILE 61 2HG ILE 61 1.696 7.619 -9.817 605 2HG1 ILE 61 3HG ILE 61 1.546 6.273 -10.937 606 1HG2 ILE 61 3HG ILE 61 4.176 4.192 -9.240 607 2HG2 ILE 61 1HG ILE 61 2.506 4.203 -8.720 608 3HG2 ILE 61 2HG ILE 61 2.897 4.127 -10.436 609 1HD1 ILE 61 2HD ILE 61 0.913 6.121 -7.989 610 2HD1 ILE 61 3HD ILE 61 -0.268 6.312 -9.269 611 3HD1 ILE 61 1HD ILE 61 0.674 4.837 -9.172 612 QG1 ILE 61 QG1 ILE 61 1.621 6.946 -10.376 613 QG2 ILE 61 QG2 ILE 61 3.193 4.174 -9.465 614 QD1 ILE 61 QD1 ILE 61 0.439 5.757 -8.810 615 H LEU 62 HN LEU 62 5.351 5.611 -9.735 616 HA LEU 62 HA LEU 62 7.442 4.566 -9.451 617 1HB LEU 62 2HB LEU 62 7.906 7.437 -8.595 618 2HB LEU 62 3HB LEU 62 9.159 6.344 -9.161 619 HG LEU 62 HG LEU 62 6.697 6.927 -10.838 620 1HD1 LEU 62 3HD LEU 62 9.352 8.415 -10.853 621 2HD1 LEU 62 1HD LEU 62 8.052 8.626 -12.021 622 3HD1 LEU 62 2HD LEU 62 7.807 9.088 -10.340 623 1HD2 LEU 62 3HD LEU 62 9.520 5.992 -11.481 624 2HD2 LEU 62 1HD LEU 62 8.090 4.965 -11.443 625 3HD2 LEU 62 2HD LEU 62 8.236 6.229 -12.660 626 QB LEU 62 QB LEU 62 8.532 6.890 -8.877 627 QD1 LEU 62 QD1 LEU 62 8.404 8.709 -11.071 628 QD2 LEU 62 QD2 LEU 62 8.615 5.729 -11.862 629 QQD LEU 62 QQD LEU 62 8.510 7.220 -11.466 630 H ALA 63 HN ALA 63 7.634 6.845 -6.740 631 HA ALA 63 HA ALA 63 9.314 5.276 -5.109 632 1HB ALA 63 1HB ALA 63 7.136 7.226 -4.257 633 2HB ALA 63 2HB ALA 63 8.447 6.661 -3.222 634 3HB ALA 63 3HB ALA 63 8.801 7.649 -4.637 635 QB ALA 63 QB ALA 63 8.128 7.179 -4.039 636 H VAL 64 HN VAL 64 5.838 5.187 -5.542 637 HA VAL 64 HA VAL 64 5.283 3.428 -3.307 638 HB VAL 64 HB VAL 64 3.704 3.630 -5.904 639 1HG1 VAL 64 2HG VAL 64 2.912 2.933 -3.049 640 2HG1 VAL 64 3HG VAL 64 1.808 3.027 -4.415 641 3HG1 VAL 64 1HG VAL 64 3.061 1.795 -4.383 642 1HG2 VAL 64 1HG VAL 64 3.482 5.358 -3.407 643 2HG2 VAL 64 2HG VAL 64 4.085 5.895 -4.972 644 3HG2 VAL 64 3HG VAL 64 2.404 5.421 -4.801 645 QG1 VAL 64 QG1 VAL 64 2.593 2.585 -3.949 646 QG2 VAL 64 QG2 VAL 64 3.323 5.557 -4.393 647 QQG VAL 64 QQG VAL 64 2.958 4.072 -4.171 648 H GLU 65 HN GLU 65 5.966 2.921 -6.739 649 HA GLU 65 HA GLU 65 5.650 0.067 -6.800 650 1HB GLU 65 2HB GLU 65 7.563 1.755 -8.493 651 2HB GLU 65 3HB GLU 65 6.872 0.195 -8.924 652 1HG GLU 65 2HG GLU 65 4.600 1.199 -8.932 653 2HG GLU 65 3HG GLU 65 5.276 2.749 -8.479 654 QB GLU 65 QB GLU 65 7.217 0.976 -8.709 655 QG GLU 65 QG GLU 65 4.938 1.974 -8.705 656 H ASP 66 HN ASP 66 8.532 2.105 -6.607 657 HA ASP 66 HA ASP 66 10.487 0.186 -6.008 658 1HB ASP 66 2HB ASP 66 10.848 2.641 -6.432 659 2HB ASP 66 3HB ASP 66 10.250 2.982 -4.820 660 QB ASP 66 QB ASP 66 10.549 2.811 -5.626 661 H PHE 67 HN PHE 67 8.741 2.150 -3.614 662 HA PHE 67 HA PHE 67 9.529 0.879 -1.250 663 1HB PHE 67 2HB PHE 67 8.070 2.915 -1.381 664 2HB PHE 67 3HB PHE 67 6.723 1.887 -1.863 665 HD1 PHE 67 1HD PHE 67 5.832 0.170 -0.266 666 HD2 PHE 67 2HD PHE 67 8.860 2.933 0.917 667 HE1 PHE 67 1HE PHE 67 5.511 -0.475 2.079 668 HE2 PHE 67 2HE PHE 67 8.537 2.272 3.258 669 HZ PHE 67 HZ PHE 67 6.893 0.545 3.836 670 QB PHE 67 QB PHE 67 7.397 2.401 -1.623 671 QR PHE 67 QR PHE 67 7.186 1.225 1.497 672 H LEU 68 HN LEU 68 6.631 0.067 -3.158 673 HA LEU 68 HA LEU 68 5.846 -2.206 -1.654 674 1HB LEU 68 2HB LEU 68 5.552 -1.584 -4.617 675 2HB LEU 68 3HB LEU 68 4.778 -2.965 -3.850 676 HG LEU 68 HG LEU 68 4.393 -0.121 -2.848 677 1HD1 LEU 68 3HD LEU 68 2.675 -1.724 -4.782 678 2HD1 LEU 68 1HD LEU 68 2.224 -0.175 -4.076 679 3HD1 LEU 68 2HD LEU 68 3.589 -0.275 -5.187 680 1HD2 LEU 68 3HD LEU 68 2.819 -2.700 -2.467 681 2HD2 LEU 68 1HD LEU 68 3.861 -1.952 -1.263 682 3HD2 LEU 68 2HD LEU 68 2.397 -1.134 -1.781 683 QB LEU 68 QB LEU 68 5.165 -2.274 -4.234 684 QD1 LEU 68 QD1 LEU 68 2.829 -0.725 -4.682 685 QD2 LEU 68 QD2 LEU 68 3.026 -1.929 -1.837 686 QQD LEU 68 QQD LEU 68 2.928 -1.327 -3.259 687 H GLU 69 HN GLU 69 8.229 -1.777 -4.143 688 HA GLU 69 HA GLU 69 8.810 -4.581 -4.563 689 1HB GLU 69 2HB GLU 69 9.362 -2.469 -6.027 690 2HB GLU 69 3HB GLU 69 10.770 -2.307 -4.993 691 1HG GLU 69 2HG GLU 69 11.455 -3.592 -6.898 692 2HG GLU 69 3HG GLU 69 11.330 -4.725 -5.556 693 QB GLU 69 QB GLU 69 10.065 -2.388 -5.509 694 QG GLU 69 QG GLU 69 11.392 -4.158 -6.227 695 H GLN 70 HN GLN 70 10.754 -2.052 -3.049 696 HA GLN 70 HA GLN 70 12.730 -3.450 -1.791 697 1HB GLN 70 2HB GLN 70 11.176 -1.096 -0.635 698 2HB GLN 70 3HB GLN 70 12.735 -1.651 -0.038 699 1HG GLN 70 2HG GLN 70 13.657 -1.320 -2.392 700 2HG GLN 70 3HG GLN 70 12.135 -0.554 -2.811 701 1HE2 GLN 70 2HE GLN 70 13.441 2.529 -1.697 702 2HE2 GLN 70 1HE GLN 70 12.574 1.674 -2.879 703 QB GLN 70 QB GLN 70 11.956 -1.374 -0.337 704 QG GLN 70 QG GLN 70 12.895 -0.936 -2.601 705 QE2 GLN 70 QE2 GLN 70 13.008 2.100 -2.288 706 H ASN 71 HN ASN 71 9.478 -2.920 -0.371 707 HA ASN 71 HA ASN 71 10.194 -4.963 1.682 708 1HB ASN 71 2HB ASN 71 7.756 -3.160 1.486 709 2HB ASN 71 3HB ASN 71 8.158 -4.212 2.825 710 1HD2 ASN 71 2HD ASN 71 9.345 -0.554 3.179 711 2HD2 ASN 71 1HD ASN 71 8.013 -1.098 2.300 712 QB ASN 71 QB ASN 71 7.957 -3.686 2.155 713 QD2 ASN 71 QD2 ASN 71 8.679 -0.825 2.739 714 H GLU 72 HN GLU 72 9.718 -5.809 -1.017 715 HA GLU 72 HA GLU 72 7.990 -6.857 -2.391 716 1HB GLU 72 2HB GLU 72 8.851 -8.721 -0.160 717 2HB GLU 72 3HB GLU 72 8.140 -9.248 -1.676 718 1HG GLU 72 2HG GLU 72 10.029 -8.145 -2.909 719 2HG GLU 72 3HG GLU 72 10.753 -7.711 -1.367 720 QB GLU 72 QB GLU 72 8.496 -8.985 -0.918 721 QG GLU 72 QG GLU 72 10.391 -7.928 -2.138 722 H LEU 73 HN LEU 73 6.427 -5.268 -1.093 723 HA LEU 73 HA LEU 73 4.536 -6.626 0.652 724 1HB LEU 73 2HB LEU 73 5.209 -3.932 -0.031 725 2HB LEU 73 3HB LEU 73 3.527 -4.145 -0.490 726 HG LEU 73 HG LEU 73 3.000 -4.965 1.773 727 1HD1 LEU 73 2HD LEU 73 5.924 -4.410 2.366 728 2HD1 LEU 73 3HD LEU 73 4.705 -4.765 3.583 729 3HD1 LEU 73 1HD LEU 73 5.144 -5.982 2.399 730 1HD2 LEU 73 1HD LEU 73 4.556 -2.355 1.794 731 2HD2 LEU 73 2HD LEU 73 2.862 -2.532 1.348 732 3HD2 LEU 73 3HD LEU 73 3.378 -2.835 3.006 733 QB LEU 73 QB LEU 73 4.368 -4.039 -0.261 734 QD1 LEU 73 QD1 LEU 73 5.258 -5.053 2.783 735 QD2 LEU 73 QD2 LEU 73 3.599 -2.574 2.049 736 QQD LEU 73 QQD LEU 73 4.429 -3.813 2.416 737 H GLN 74 HN GLN 74 4.111 -8.368 -0.687 738 HA GLN 74 HA GLN 74 3.355 -9.136 -2.979 739 1HB GLN 74 2HB GLN 74 2.401 -9.867 -0.570 740 2HB GLN 74 3HB GLN 74 0.924 -9.193 -1.226 741 1HG GLN 74 2HG GLN 74 2.598 -11.426 -2.427 742 2HG GLN 74 3HG GLN 74 0.981 -11.546 -1.760 743 1HE2 GLN 74 2HE GLN 74 1.517 -10.012 -5.507 744 2HE2 GLN 74 1HE GLN 74 2.841 -10.284 -4.480 745 QB GLN 74 QB GLN 74 1.662 -9.531 -0.898 746 QG GLN 74 QG GLN 74 1.789 -11.485 -2.093 747 QE2 GLN 74 QE2 GLN 74 2.179 -10.148 -4.993 748 OH TYR 75 OH TYR 75 7.013 -6.084 -7.819 749 H TYR 75 HN TYR 75 3.262 -7.145 -4.305 750 HA TYR 75 HA TYR 75 0.564 -5.907 -4.302 751 1HB TYR 75 2HB TYR 75 1.597 -4.136 -5.707 752 2HB TYR 75 3HB TYR 75 2.382 -4.311 -4.147 753 HD1 TYR 75 HD1 TYR 75 4.578 -5.636 -4.027 754 HD2 TYR 75 HD2 TYR 75 2.792 -4.520 -7.728 755 HE1 TYR 75 HE1 TYR 75 6.648 -6.234 -5.209 756 HE2 TYR 75 HE2 TYR 75 4.875 -5.054 -8.893 757 HH TYR 75 HH TYR 75 7.790 -5.622 -7.444 758 QB TYR 75 QB TYR 75 1.990 -4.223 -4.927 759 QR TYR 75 QR TYR 75 4.723 -5.361 -6.464 760 H GLU 76 HN GLU 76 -0.778 -6.184 -5.886 761 HA GLU 76 HA GLU 76 0.147 -7.608 -8.360 762 1HB GLU 76 2HB GLU 76 -1.119 -9.016 -6.714 763 2HB GLU 76 3HB GLU 76 -2.466 -7.916 -6.865 764 1HG GLU 76 2HG GLU 76 -2.626 -8.473 -9.300 765 2HG GLU 76 3HG GLU 76 -1.295 -9.603 -9.107 766 QB GLU 76 QB GLU 76 -1.792 -8.465 -6.790 767 QG GLU 76 QG GLU 76 -1.960 -9.038 -9.203 768 H VAL 77 HN VAL 77 -1.612 -7.290 -10.168 769 HA VAL 77 HA VAL 77 -2.509 -4.425 -10.085 770 HB VAL 77 HB VAL 77 -1.496 -6.015 -12.481 771 1HG1 VAL 77 1HG VAL 77 -2.107 -3.051 -12.151 772 2HG1 VAL 77 2HG VAL 77 -1.271 -3.750 -13.535 773 3HG1 VAL 77 3HG VAL 77 -2.939 -4.180 -13.223 774 1HG2 VAL 77 1HG VAL 77 0.284 -5.626 -10.806 775 2HG2 VAL 77 2HG VAL 77 0.560 -4.646 -12.244 776 3HG2 VAL 77 3HG VAL 77 -0.106 -3.908 -10.789 777 QG1 VAL 77 QG1 VAL 77 -2.105 -3.661 -12.970 778 QG2 VAL 77 QG2 VAL 77 0.246 -4.727 -11.280 779 QQG VAL 77 QQG VAL 77 -0.930 -4.193 -12.125 780 H LEU 78 HN LEU 78 -4.148 -4.021 -11.943 781 HA LEU 78 HA LEU 78 -6.254 -6.146 -11.868 782 1HB LEU 78 2HB LEU 78 -6.454 -3.128 -12.194 783 2HB LEU 78 3HB LEU 78 -7.811 -4.208 -12.455 784 HG LEU 78 HG LEU 78 -6.247 -4.036 -9.849 785 1HD1 LEU 78 1HD LEU 78 -8.972 -2.906 -10.603 786 2HD1 LEU 78 2HD LEU 78 -8.262 -2.867 -8.992 787 3HD1 LEU 78 3HD LEU 78 -7.516 -1.960 -10.303 788 1HD2 LEU 78 2HD LEU 78 -8.853 -5.435 -10.590 789 2HD2 LEU 78 3HD LEU 78 -7.333 -6.235 -10.203 790 3HD2 LEU 78 1HD LEU 78 -8.192 -5.335 -8.963 791 QB LEU 78 QB LEU 78 -7.132 -3.668 -12.325 792 QD1 LEU 78 QD1 LEU 78 -8.250 -2.578 -9.966 793 QD2 LEU 78 QD2 LEU 78 -8.125 -5.669 -9.919 794 QQD LEU 78 QQD LEU 78 -8.188 -4.123 -9.943 795 H ILE 79 HN ILE 79 -4.127 -6.271 -13.645 796 HA ILE 79 HA ILE 79 -5.551 -6.094 -16.245 797 HB ILE 79 HB ILE 79 -2.645 -5.278 -15.811 798 1HG1 ILE 79 2HG ILE 79 -5.096 -3.634 -16.571 799 2HG1 ILE 79 3HG ILE 79 -4.253 -3.557 -15.033 800 1HG2 ILE 79 2HG ILE 79 -3.091 -6.450 -17.977 801 2HG2 ILE 79 3HG ILE 79 -4.361 -5.287 -18.334 802 3HG2 ILE 79 1HG ILE 79 -2.684 -4.762 -18.229 803 1HD1 ILE 79 1HD ILE 79 -2.184 -2.827 -16.221 804 2HD1 ILE 79 2HD ILE 79 -3.071 -2.851 -17.744 805 3HD1 ILE 79 3HD ILE 79 -3.520 -1.711 -16.483 806 QG1 ILE 79 QG1 ILE 79 -4.674 -3.595 -15.802 807 QG2 ILE 79 QG2 ILE 79 -3.379 -5.500 -18.180 808 QD1 ILE 79 QD1 ILE 79 -2.925 -2.463 -16.816 809 H ASN 80 HN ASN 80 -5.907 -8.329 -15.961 810 HA ASN 80 HA ASN 80 -3.469 -10.055 -15.909 811 1HB ASN 80 2HB ASN 80 -5.577 -10.446 -14.415 812 2HB ASN 80 3HB ASN 80 -6.336 -11.039 -15.885 813 1HD2 ASN 80 2HD ASN 80 -3.345 -13.538 -15.788 814 2HD2 ASN 80 1HD ASN 80 -3.464 -12.109 -16.697 815 QB ASN 80 QB ASN 80 -5.957 -10.742 -15.150 816 QD2 ASN 80 QD2 ASN 80 -3.405 -12.824 -16.242 817 H ASN 81 HN ASN 81 -5.686 -8.625 -17.956 818 HA ASN 81 HA ASN 81 -4.794 -10.277 -20.245 819 1HB ASN 81 2HB ASN 81 -7.082 -10.123 -21.229 820 2HB ASN 81 3HB ASN 81 -7.043 -11.080 -19.760 821 1HD2 ASN 81 ASN 81 -8.521 -7.401 -18.872 822 2HD2 ASN 81 1HD ASN 81 -6.907 -7.574 -19.369 823 QB ASN 81 QB ASN 81 -7.063 -10.602 -20.494 824 QD2 ASN 81 QD2 ASN 81 -7.714 -7.487 -19.121 Start of MODEL 14 Raw file had 824 H/Q atoms Start of MODEL 14 1 1H HIS 1 HN1 HIS 1 9.325 13.734 -13.497 2 2H HIS 1 HN2 HIS 1 8.217 14.680 -12.708 3 3H HIS 1 HN3 HIS 1 7.873 14.083 -14.213 4 HA HIS 1 HA HIS 1 8.787 15.776 -15.221 5 1HB HIS 1 2HB HIS 1 9.374 17.743 -13.817 6 2HB HIS 1 3HB HIS 1 7.809 17.073 -13.448 7 HD1 HIS 1 HD1 HIS 1 11.175 17.490 -12.051 8 HD2 HIS 1 HD2 HIS 1 7.579 15.926 -10.779 9 HE1 HIS 1 HE1 HIS 1 11.456 16.929 -9.615 10 QB HIS 1 QB HIS 1 8.591 17.408 -13.633 11 H HIS 2 HN HIS 2 10.873 15.312 -12.388 12 HA HIS 2 HA HIS 2 13.283 15.985 -12.611 13 1HB HIS 2 2HB HIS 2 14.156 13.496 -12.700 14 2HB HIS 2 3HB HIS 2 13.258 14.108 -11.339 15 HD1 HIS 2 HD1 HIS 2 10.891 13.264 -11.041 16 HD2 HIS 2 HD2 HIS 2 12.755 11.481 -14.253 17 HE1 HIS 2 HE1 HIS 2 9.341 11.466 -11.869 18 QB HIS 2 QB HIS 2 13.708 13.802 -12.020 19 H SER 3 HN SER 3 13.055 13.230 -14.850 20 HA SER 3 HA SER 3 14.551 14.878 -16.843 21 1HB SER 3 2HB SER 3 15.894 12.750 -17.316 22 2HB SER 3 3HB SER 3 16.180 13.446 -15.710 23 HG SER 3 HG SER 3 15.443 11.045 -16.067 24 QB SER 3 QB SER 3 16.037 13.098 -16.513 25 H GLY 4 HN GLY 4 13.328 11.566 -16.691 26 1HA GLY 4 1HA GLY 4 11.509 12.144 -18.978 27 2HA GLY 4 2HA GLY 4 12.660 10.816 -19.131 28 QA GLY 4 QA GLY 4 12.085 11.480 -19.055 29 H GLU 5 HN GLU 5 9.722 10.752 -19.078 30 HA GLU 5 HA GLU 5 9.417 8.761 -16.899 31 1HB GLU 5 2HB GLU 5 7.571 11.129 -17.420 32 2HB GLU 5 3HB GLU 5 7.104 9.750 -16.428 33 1HG GLU 5 2HG GLU 5 8.835 10.192 -14.819 34 2HG GLU 5 3HG GLU 5 9.662 11.305 -15.897 35 QB GLU 5 QB GLU 5 7.338 10.440 -16.924 36 QG GLU 5 QG GLU 5 9.249 10.749 -15.358 37 H HIS 6 HN HIS 6 6.741 8.078 -17.438 38 HA HIS 6 HA HIS 6 6.816 7.364 -20.344 39 1HB HIS 6 2HB HIS 6 5.969 5.498 -18.117 40 2HB HIS 6 3HB HIS 6 6.112 5.104 -19.811 41 HD1 HIS 6 HD1 HIS 6 8.888 6.710 -19.982 42 HD2 HIS 6 HD2 HIS 6 8.060 3.594 -17.414 43 HE1 HIS 6 HE1 HIS 6 11.092 5.665 -19.381 44 QB HIS 6 QB HIS 6 6.041 5.301 -18.963 45 H PHE 7 HN PHE 7 4.512 6.066 -20.692 46 HA PHE 7 HA PHE 7 2.497 8.146 -19.976 47 1HB PHE 7 2HB PHE 7 1.169 7.092 -21.861 48 2HB PHE 7 3HB PHE 7 2.691 7.820 -22.367 49 HD1 PHE 7 1HD PHE 7 4.618 6.381 -22.985 50 HD2 PHE 7 2HD PHE 7 0.872 4.664 -21.882 51 HE1 PHE 7 1HE PHE 7 5.365 4.203 -23.822 52 HE2 PHE 7 2HE PHE 7 1.613 2.492 -22.765 53 HZ PHE 7 HZ PHE 7 3.856 2.261 -23.742 54 QB PHE 7 QB PHE 7 1.930 7.457 -22.113 55 QR PHE 7 QR PHE 7 3.117 4.435 -22.864 56 H GLU 8 HN GLU 8 3.483 5.285 -18.812 57 HA GLU 8 HA GLU 8 0.804 4.116 -18.341 58 1HB GLU 8 2HB GLU 8 3.020 2.797 -18.819 59 2HB GLU 8 3HB GLU 8 3.404 3.133 -17.137 60 1HG GLU 8 2HG GLU 8 1.084 2.137 -16.580 61 2HG GLU 8 3HG GLU 8 1.078 1.536 -18.237 62 QB GLU 8 QB GLU 8 3.212 2.965 -17.978 63 QG GLU 8 QG GLU 8 1.082 1.837 -17.409 64 H GLY 9 HN GLY 9 0.439 6.303 -17.335 65 1HA GLY 9 1HA GLY 9 1.363 6.445 -14.496 66 2HA GLY 9 2HA GLY 9 0.685 7.791 -15.405 67 QA GLY 9 QA GLY 9 1.024 7.118 -14.951 68 H GLU 10 HN GLU 10 -1.579 6.526 -16.480 69 HA GLU 10 HA GLU 10 -3.340 6.566 -14.156 70 1HB GLU 10 2HB GLU 10 -4.003 5.816 -17.031 71 2HB GLU 10 3HB GLU 10 -5.137 6.336 -15.797 72 1HG GLU 10 2HG GLU 10 -2.863 8.099 -16.779 73 2HG GLU 10 3HG GLU 10 -4.480 8.145 -17.467 74 QB GLU 10 QB GLU 10 -4.570 6.076 -16.414 75 QG GLU 10 QG GLU 10 -3.671 8.122 -17.123 76 H LYS 11 HN LYS 11 -1.826 4.551 -13.435 77 HA LYS 11 HA LYS 11 -3.115 2.050 -14.468 78 1HB LYS 11 2HB LYS 11 -1.191 0.870 -13.356 79 2HB LYS 11 3HB LYS 11 -0.690 1.982 -14.623 80 1HG LYS 11 2HG LYS 11 -0.079 3.669 -13.009 81 2HG LYS 11 3HG LYS 11 -0.792 2.754 -11.687 82 1HD LYS 11 2HD LYS 11 1.446 2.199 -11.432 83 2HD LYS 11 3HD LYS 11 0.913 0.886 -12.465 84 1HE LYS 11 2HE LYS 11 1.708 2.147 -14.463 85 2HE LYS 11 3HE LYS 11 2.266 3.443 -13.410 86 1HZ LYS 11 3HZ LYS 11 3.273 1.013 -12.445 87 2HZ LYS 11 1HZ LYS 11 3.614 1.106 -14.127 88 3HZ LYS 11 2HZ LYS 11 4.148 2.329 -13.046 89 QB LYS 11 QB LYS 11 -0.941 1.426 -13.989 90 QG LYS 11 QG LYS 11 -0.436 3.211 -12.348 91 QD LYS 11 QD LYS 11 1.179 1.543 -11.949 92 QE LYS 11 QE LYS 11 1.987 2.795 -13.936 93 QZ LYS 11 QZ LYS 11 3.679 1.482 -13.206 94 H VAL 12 HN VAL 12 -3.401 0.321 -12.796 95 HA VAL 12 HA VAL 12 -4.226 1.422 -10.139 96 HB VAL 12 HB VAL 12 -5.839 -0.575 -11.784 97 1HG1 VAL 12 2HG VAL 12 -6.535 0.958 -9.256 98 2HG1 VAL 12 3HG VAL 12 -7.620 -0.124 -10.125 99 3HG1 VAL 12 1HG VAL 12 -6.179 -0.764 -9.341 100 1HG2 VAL 12 3HG VAL 12 -6.326 2.396 -11.366 101 2HG2 VAL 12 1HG VAL 12 -5.894 1.622 -12.886 102 3HG2 VAL 12 2HG VAL 12 -7.453 1.285 -12.143 103 QG1 VAL 12 QG1 VAL 12 -6.779 0.023 -9.574 104 QG2 VAL 12 QG2 VAL 12 -6.557 1.768 -12.131 105 QQG VAL 12 QQG VAL 12 -6.668 0.895 -10.853 106 H PHE 13 HN PHE 13 -4.068 -0.148 -8.420 107 HA PHE 13 HA PHE 13 -3.545 -2.915 -8.959 108 1HB PHE 13 2HB PHE 13 -1.170 -2.943 -8.030 109 2HB PHE 13 3HB PHE 13 -1.370 -2.421 -9.684 110 HD1 PHE 13 1HD PHE 13 -2.341 0.143 -7.241 111 HD2 PHE 13 2HD PHE 13 0.940 -1.602 -9.330 112 HE1 PHE 13 1HE PHE 13 -0.944 2.088 -6.694 113 HE2 PHE 13 2HE PHE 13 2.318 0.332 -8.788 114 HZ PHE 13 HZ PHE 13 1.411 2.166 -7.468 115 QB PHE 13 QB PHE 13 -1.270 -2.682 -8.857 116 QR PHE 13 QR PHE 13 -0.007 0.240 -8.014 117 NH1 ARG 14 NH1 ARG 14 -7.128 -7.487 -3.975 118 NH2 ARG 14 NH2 ARG 14 -5.398 -8.461 -5.100 119 H ARG 14 HN ARG 14 -2.681 -4.060 -6.900 120 HA ARG 14 HA ARG 14 -3.808 -2.679 -4.515 121 1HB ARG 14 2HB ARG 14 -4.085 -5.592 -5.302 122 2HB ARG 14 3HB ARG 14 -4.828 -4.796 -3.945 123 1HG ARG 14 2HG ARG 14 -6.010 -3.270 -5.603 124 2HG ARG 14 3HG ARG 14 -5.410 -4.336 -6.873 125 1HD ARG 14 2HD ARG 14 -7.048 -5.221 -4.481 126 2HD ARG 14 3HD ARG 14 -7.700 -5.010 -6.081 127 HE ARG 14 HE ARG 14 -6.204 -6.879 -6.855 128 1HH1 ARG 14 2HH ARG 14 -7.826 -6.785 -3.955 129 2HH1 ARG 14 1HH ARG 14 -7.056 -8.116 -3.195 130 1HH2 ARG 14 2HH ARG 14 -4.796 -8.459 -5.907 131 2HH2 ARG 14 1HH ARG 14 -5.292 -9.175 -4.416 132 QB ARG 14 QB ARG 14 -4.456 -5.194 -4.623 133 QG ARG 14 QG ARG 14 -5.710 -3.804 -6.238 134 QD ARG 14 QD ARG 14 -7.374 -5.116 -5.281 135 QH1 ARG 14 QH1 ARG 14 -7.441 -7.450 -3.575 136 QH2 ARG 14 QH2 ARG 14 -5.044 -8.817 -5.162 137 H VAL 15 HN VAL 15 -3.196 -3.670 -2.485 138 HA VAL 15 HA VAL 15 -0.477 -4.938 -2.498 139 HB VAL 15 HB VAL 15 -1.759 -3.298 -0.262 140 1HG1 VAL 15 3HG VAL 15 -0.042 -4.938 0.469 141 2HG1 VAL 15 1HG VAL 15 1.098 -4.260 -0.694 142 3HG1 VAL 15 2HG VAL 15 0.543 -3.291 0.665 143 1HG2 VAL 15 1HG VAL 15 0.335 -2.446 -2.299 144 2HG2 VAL 15 2HG VAL 15 -1.316 -1.840 -2.200 145 3HG2 VAL 15 3HG VAL 15 -0.173 -1.492 -0.906 146 QG1 VAL 15 QG1 VAL 15 0.533 -4.163 0.147 147 QG2 VAL 15 QG2 VAL 15 -0.385 -1.926 -1.801 148 QQG VAL 15 QQG VAL 15 0.074 -3.045 -0.827 149 H ASN 16 HN ASN 16 -0.261 -6.718 -0.938 150 HA ASN 16 HA ASN 16 -2.940 -7.822 -0.192 151 1HB ASN 16 2HB ASN 16 -1.649 -9.230 -1.779 152 2HB ASN 16 3HB ASN 16 -0.329 -9.302 -0.617 153 1HD2 ASN 16 2HD ASN 16 -2.005 -11.615 1.524 154 2HD2 ASN 16 1HD ASN 16 -0.701 -10.529 1.378 155 QB ASN 16 QB ASN 16 -0.989 -9.267 -1.198 156 QD2 ASN 16 QD2 ASN 16 -1.353 -11.072 1.451 157 H VAL 17 HN VAL 17 -3.408 -8.026 1.854 158 HA VAL 17 HA VAL 17 -1.232 -7.548 3.821 159 HB VAL 17 HB VAL 17 -4.251 -7.427 4.202 160 1HG1 VAL 17 1HG VAL 17 -2.891 -7.764 6.247 161 2HG1 VAL 17 2HG VAL 17 -1.922 -6.362 5.823 162 3HG1 VAL 17 3HG VAL 17 -3.629 -6.174 6.227 163 1HG2 VAL 17 3HG VAL 17 -2.246 -5.194 3.661 164 2HG2 VAL 17 1HG VAL 17 -3.491 -5.740 2.546 165 3HG2 VAL 17 2HG VAL 17 -3.948 -4.956 4.051 166 QG1 VAL 17 QG1 VAL 17 -2.814 -6.767 6.099 167 QG2 VAL 17 QG2 VAL 17 -3.229 -5.297 3.419 168 QQG VAL 17 QQG VAL 17 -3.021 -6.032 4.759 169 H GLU 18 HN GLU 18 -0.421 -9.589 3.835 170 HA GLU 18 HA GLU 18 -2.204 -11.895 4.327 171 1HB GLU 18 2HB GLU 18 -0.118 -11.858 2.754 172 2HB GLU 18 3HB GLU 18 0.824 -11.968 4.233 173 1HG GLU 18 2HG GLU 18 0.402 -14.216 3.267 174 2HG GLU 18 3HG GLU 18 -0.354 -14.053 4.845 175 QB GLU 18 QB GLU 18 0.353 -11.913 3.493 176 QG GLU 18 QG GLU 18 0.024 -14.134 4.056 177 H ASP 19 HN ASP 19 0.446 -10.171 5.895 178 HA ASP 19 HA ASP 19 -0.442 -11.308 8.497 179 1HB ASP 19 2HB ASP 19 1.480 -12.523 8.197 180 2HB ASP 19 3HB ASP 19 2.343 -11.282 7.347 181 QB ASP 19 QB ASP 19 1.911 -11.902 7.772 182 H GLU 20 HN GLU 20 0.813 -10.162 10.170 183 HA GLU 20 HA GLU 20 -0.183 -7.455 10.277 184 1HB GLU 20 2HB GLU 20 0.215 -8.800 12.318 185 2HB GLU 20 3HB GLU 20 1.943 -8.806 11.982 186 1HG GLU 20 2HG GLU 20 1.441 -7.064 13.614 187 2HG GLU 20 3HG GLU 20 1.940 -6.295 12.117 188 QB GLU 20 QB GLU 20 1.079 -8.803 12.150 189 QG GLU 20 QG GLU 20 1.691 -6.680 12.865 190 H ASN 21 HN ASN 21 3.018 -8.845 9.832 191 HA ASN 21 HA ASN 21 4.645 -6.570 9.748 192 1HB ASN 21 2HB ASN 21 5.326 -8.995 9.384 193 2HB ASN 21 3HB ASN 21 4.808 -8.824 7.717 194 1HD2 ASN 21 2HD ASN 21 7.579 -6.062 7.776 195 2HD2 ASN 21 1HD ASN 21 5.924 -5.821 8.016 196 QB ASN 21 QB ASN 21 5.067 -8.909 8.550 197 QD2 ASN 21 QD2 ASN 21 6.751 -5.941 7.896 198 H ASP 22 HN ASP 22 2.606 -7.837 7.133 199 HA ASP 22 HA ASP 22 3.398 -5.872 5.163 200 1HB ASP 22 2HB ASP 22 2.138 -7.968 4.586 201 2HB ASP 22 3HB ASP 22 0.728 -7.353 5.439 202 QB ASP 22 QB ASP 22 1.433 -7.660 5.012 203 H ILE 23 HN ILE 23 0.832 -5.979 7.595 204 HA ILE 23 HA ILE 23 -0.437 -3.527 6.787 205 HB ILE 23 HB ILE 23 -0.287 -4.644 9.621 206 1HG1 ILE 23 2HG ILE 23 -2.283 -5.267 7.430 207 2HG1 ILE 23 3HG ILE 23 -0.959 -6.339 7.854 208 1HG2 ILE 23 1HG ILE 23 -2.367 -2.958 8.155 209 2HG2 ILE 23 2HG ILE 23 -2.522 -3.551 9.803 210 3HG2 ILE 23 3HG ILE 23 -1.276 -2.381 9.412 211 1HD1 ILE 23 3HD ILE 23 -1.858 -6.427 10.190 212 2HD1 ILE 23 1HD ILE 23 -3.240 -5.487 9.648 213 3HD1 ILE 23 2HD ILE 23 -2.954 -7.088 8.985 214 QG1 ILE 23 QG1 ILE 23 -1.621 -5.803 7.642 215 QG2 ILE 23 QG2 ILE 23 -2.055 -2.963 9.123 216 QD1 ILE 23 QD1 ILE 23 -2.684 -6.334 9.608 217 H SER 24 HN SER 24 2.070 -4.252 9.111 218 HA SER 24 HA SER 24 2.538 -1.622 10.113 219 1HB SER 24 2HB SER 24 3.482 -3.498 11.298 220 2HB SER 24 3HB SER 24 4.298 -4.099 9.847 221 HG SER 24 HG SER 24 5.848 -2.714 10.147 222 QB SER 24 QB SER 24 3.890 -3.798 10.573 223 H GLU 25 HN GLU 25 4.641 -3.413 7.897 224 HA GLU 25 HA GLU 25 6.122 -1.220 6.953 225 1HB GLU 25 2HB GLU 25 5.452 -3.964 5.985 226 2HB GLU 25 3HB GLU 25 6.201 -2.900 4.827 227 1HG GLU 25 2HG GLU 25 7.785 -4.350 6.290 228 2HG GLU 25 3HG GLU 25 8.168 -2.637 6.197 229 QB GLU 25 QB GLU 25 5.826 -3.432 5.406 230 QG GLU 25 QG GLU 25 7.977 -3.494 6.243 231 H LEU 26 HN LEU 26 3.090 -2.541 5.497 232 HA LEU 26 HA LEU 26 3.058 -0.730 3.320 233 1HB LEU 26 2HB LEU 26 1.535 -2.604 3.310 234 2HB LEU 26 3HB LEU 26 0.892 -2.168 4.883 235 HG LEU 26 HG LEU 26 -0.021 -0.120 3.956 236 1HD1 LEU 26 1HD LEU 26 0.909 -1.237 1.283 237 2HD1 LEU 26 2HD LEU 26 -0.148 0.160 1.471 238 3HD1 LEU 26 3HD LEU 26 1.512 0.230 2.052 239 1HD2 LEU 26 3HD LEU 26 -0.848 -2.679 2.545 240 2HD2 LEU 26 1HD LEU 26 -1.433 -2.110 4.105 241 3HD2 LEU 26 2HD LEU 26 -1.852 -1.233 2.636 242 QB LEU 26 QB LEU 26 1.214 -2.385 4.096 243 QD1 LEU 26 QD1 LEU 26 0.758 -0.283 1.602 244 QD2 LEU 26 QD2 LEU 26 -1.377 -2.008 3.095 245 QQD LEU 26 QQD LEU 26 -0.310 -1.145 2.349 246 H HIS 27 HN HIS 27 1.629 -0.542 6.558 247 HA HIS 27 HA HIS 27 0.212 1.804 6.604 248 1HB HIS 27 2HB HIS 27 1.813 0.355 8.520 249 2HB HIS 27 3HB HIS 27 1.950 2.054 8.829 250 HD1 HIS 27 HD1 HIS 27 0.140 2.997 10.131 251 HD2 HIS 27 HD2 HIS 27 -1.084 -0.552 8.471 252 HE1 HIS 27 HE1 HIS 27 -2.123 2.494 11.119 253 QB HIS 27 QB HIS 27 1.882 1.204 8.674 254 H GLU 28 HN GLU 28 3.690 1.799 7.226 255 HA GLU 28 HA GLU 28 4.317 4.430 7.377 256 1HB GLU 28 2HB GLU 28 5.900 2.492 7.405 257 2HB GLU 28 3HB GLU 28 5.845 2.429 5.650 258 1HG GLU 28 2HG GLU 28 7.792 3.743 6.327 259 2HG GLU 28 3HG GLU 28 6.618 4.858 5.648 260 QB GLU 28 QB GLU 28 5.873 2.460 6.527 261 QG GLU 28 QG GLU 28 7.205 4.300 5.988 262 H LEU 29 HN LEU 29 3.707 2.749 4.332 263 HA LEU 29 HA LEU 29 4.295 4.638 2.417 264 1HB LEU 29 2HB LEU 29 3.326 2.473 1.847 265 2HB LEU 29 3HB LEU 29 1.812 2.906 2.615 266 HG LEU 29 HG LEU 29 1.261 4.489 0.915 267 1HD1 LEU 29 1HD LEU 29 4.087 4.121 -0.171 268 2HD1 LEU 29 2HD LEU 29 2.826 5.112 -0.905 269 3HD1 LEU 29 3HD LEU 29 3.493 5.555 0.660 270 1HD2 LEU 29 1HD LEU 29 2.601 2.080 -0.370 271 2HD2 LEU 29 2HD LEU 29 0.955 2.136 0.252 272 3HD2 LEU 29 3HD LEU 29 1.399 3.099 -1.152 273 QB LEU 29 QB LEU 29 2.569 2.690 2.231 274 QD1 LEU 29 QD1 LEU 29 3.469 4.929 -0.139 275 QD2 LEU 29 QD2 LEU 29 1.652 2.438 -0.423 276 QQD LEU 29 QQD LEU 29 2.560 3.684 -0.281 277 H ALA 30 HN ALA 30 1.381 4.633 4.471 278 HA ALA 30 HA ALA 30 0.408 7.127 3.239 279 1HB ALA 30 1HB ALA 30 -0.521 5.582 5.682 280 2HB ALA 30 2HB ALA 30 -1.379 6.942 4.967 281 3HB ALA 30 3HB ALA 30 -1.185 5.447 4.057 282 QB ALA 30 QB ALA 30 -1.028 5.991 4.902 283 H SER 31 HN SER 31 3.031 7.181 4.491 284 HA SER 31 HA SER 31 2.579 9.545 6.232 285 1HB SER 31 2HB SER 31 4.317 7.158 7.020 286 2HB SER 31 3HB SER 31 4.295 8.713 7.867 287 HG SER 31 HG SER 31 1.771 7.818 7.370 288 QB SER 31 QB SER 31 4.307 7.936 7.443 289 H THR 32 HN THR 32 4.872 7.442 4.611 290 HA THR 32 HA THR 32 6.806 9.620 4.309 291 HB THR 32 HB THR 32 7.515 7.320 4.888 292 HG1 THR 32 1HG THR 32 9.205 8.021 3.874 293 1HG2 THR 32 2HG THR 32 6.591 6.664 2.065 294 2HG2 THR 32 3HG THR 32 7.470 5.580 3.135 295 3HG2 THR 32 1HG THR 32 5.832 6.077 3.534 296 QG2 THR 32 QG2 THR 32 6.631 6.108 2.912 297 NH1 ARG 33 NH2 ARG 33 8.485 8.250 0.641 298 NH2 ARG 33 NH1 ARG 33 8.820 6.292 -0.508 299 H ARG 33 HN ARG 33 4.204 8.392 2.351 300 HA ARG 33 HA ARG 33 5.281 10.011 0.061 301 1HB ARG 33 2HB ARG 33 3.681 7.436 -0.112 302 2HB ARG 33 3HB ARG 33 4.101 8.454 -1.484 303 1HG ARG 33 2HG ARG 33 6.266 7.548 0.322 304 2HG ARG 33 3HG ARG 33 5.605 6.408 -0.847 305 1HD ARG 33 2HD ARG 33 6.250 7.687 -2.682 306 2HD ARG 33 3HD ARG 33 6.182 9.200 -1.786 307 HE ARG 33 HE ARG 33 8.488 8.535 -2.175 308 1HH1 ARG 33 2HH ARG 33 8.129 9.191 0.635 309 2HH1 ARG 33 1HH ARG 33 8.833 7.869 1.505 310 1HH2 ARG 33 2HH ARG 33 8.746 5.773 -1.373 311 2HH2 ARG 33 1HH ARG 33 9.166 5.828 0.311 312 QB ARG 33 QB ARG 33 3.891 7.946 -0.798 313 QG ARG 33 QG ARG 33 5.935 6.978 -0.262 314 QD ARG 33 QD ARG 33 6.216 8.444 -2.234 315 QH1 ARG 33 QH2 ARG 33 8.481 8.531 1.070 316 QH2 ARG 33 QH1 ARG 33 8.956 5.802 -0.531 317 H GLN 34 HN GLN 34 3.475 10.636 -1.489 318 HA GLN 34 HA GLN 34 1.049 11.429 0.089 319 1HB GLN 34 2HB GLN 34 2.827 13.219 -0.744 320 2HB GLN 34 3HB GLN 34 2.036 12.995 -2.300 321 1HG GLN 34 2HG GLN 34 -0.085 13.706 -1.439 322 2HG GLN 34 3HG GLN 34 0.471 13.608 0.228 323 1HE2 GLN 34 2HE GLN 34 1.506 16.967 0.155 324 2HE2 GLN 34 1HE GLN 34 0.888 15.668 1.052 325 QB GLN 34 QB GLN 34 2.432 13.108 -1.522 326 QG GLN 34 QG GLN 34 0.194 13.657 -0.606 327 QE2 GLN 34 QE2 GLN 34 1.197 16.318 0.604 328 H ILE 35 HN ILE 35 0.548 9.218 -0.709 329 HA ILE 35 HA ILE 35 -0.346 9.130 -3.548 330 HB ILE 35 HB ILE 35 -0.536 6.695 -3.193 331 1HG1 ILE 35 2HG ILE 35 0.675 6.788 -0.478 332 2HG1 ILE 35 3HG ILE 35 -0.998 7.320 -0.541 333 1HG2 ILE 35 2HG ILE 35 1.689 7.661 -3.738 334 2HG2 ILE 35 3HG ILE 35 2.037 7.815 -2.022 335 3HG2 ILE 35 1HG ILE 35 1.835 6.218 -2.738 336 1HD1 ILE 35 1HD ILE 35 0.027 4.701 -1.685 337 2HD1 ILE 35 2HD ILE 35 -0.825 4.875 -0.155 338 3HD1 ILE 35 3HD ILE 35 -1.650 5.237 -1.667 339 QG1 ILE 35 QG1 ILE 35 -0.161 7.054 -0.509 340 QG2 ILE 35 QG2 ILE 35 1.854 7.232 -2.833 341 QD1 ILE 35 QD1 ILE 35 -0.816 4.938 -1.169 342 H ASP 36 HN ASP 36 -2.389 7.498 -3.629 343 HA ASP 36 HA ASP 36 -4.466 8.683 -1.822 344 1HB ASP 36 2HB ASP 36 -6.032 8.423 -3.720 345 2HB ASP 36 3HB ASP 36 -4.658 9.398 -4.214 346 QB ASP 36 QB ASP 36 -5.345 8.911 -3.967 347 H PHE 37 HN PHE 37 -6.445 7.168 -1.761 348 HA PHE 37 HA PHE 37 -5.625 4.298 -1.858 349 1HB PHE 37 2HB PHE 37 -6.838 5.783 0.480 350 2HB PHE 37 3HB PHE 37 -7.042 4.046 0.306 351 HD1 PHE 37 2HD PHE 37 -5.089 2.537 0.435 352 HD2 PHE 37 1HD PHE 37 -4.610 6.738 0.953 353 HE1 PHE 37 2HE PHE 37 -2.871 2.164 1.429 354 HE2 PHE 37 1HE PHE 37 -2.386 6.362 1.922 355 HZ PHE 37 HZ PHE 37 -1.501 4.076 2.142 356 QB PHE 37 QB PHE 37 -6.939 4.914 0.394 357 QR PHE 37 QR PHE 37 -3.739 4.450 1.185 358 CH2 TRP 38 CH2 TRP 38 -10.172 3.094 -9.523 359 H TRP 38 HN TRP 38 -7.379 2.832 -2.172 360 HA TRP 38 HA TRP 38 -9.911 4.148 -3.121 361 1HB TRP 38 2HB TRP 38 -8.162 2.839 -4.709 362 2HB TRP 38 3HB TRP 38 -9.106 1.482 -4.181 363 HD1 TRP 38 HD1 TRP 38 -12.004 3.171 -4.301 364 HE1 TRP 38 HE1 TRP 38 -13.018 3.581 -6.565 365 HE3 TRP 38 HE3 TRP 38 -7.923 2.406 -7.070 366 HZ2 TRP 38 HZ2 TRP 38 -12.234 3.569 -9.229 367 HZ3 TRP 38 HZ3 TRP 38 -8.101 2.583 -9.541 368 HH2 TRP 38 HH2 TRP 38 -10.235 3.158 -10.600 369 QB TRP 38 QB TRP 38 -8.634 2.161 -4.444 370 H LYS 39 HN LYS 39 -8.613 0.995 -2.100 371 HA LYS 39 HA LYS 39 -11.002 0.632 -0.322 372 1HB LYS 39 2HB LYS 39 -9.733 -1.589 -1.984 373 2HB LYS 39 3HB LYS 39 -11.151 -1.731 -0.962 374 1HG LYS 39 2HG LYS 39 -12.103 0.202 -2.485 375 2HG LYS 39 3HG LYS 39 -10.875 -0.342 -3.614 376 1HD LYS 39 2HD LYS 39 -12.892 -2.238 -2.362 377 2HD LYS 39 3HD LYS 39 -13.203 -1.387 -3.860 378 1HE LYS 39 2HE LYS 39 -12.371 -3.483 -4.566 379 2HE LYS 39 3HE LYS 39 -11.004 -2.397 -4.728 380 1HZ LYS 39 3HZ LYS 39 -10.899 -3.425 -2.151 381 2HZ LYS 39 1HZ LYS 39 -11.212 -4.742 -3.178 382 3HZ LYS 39 2HZ LYS 39 -9.865 -3.760 -3.446 383 QB LYS 39 QB LYS 39 -10.443 -1.660 -1.473 384 QG LYS 39 QG LYS 39 -11.489 -0.070 -3.049 385 QD LYS 39 QD LYS 39 -13.047 -1.812 -3.111 386 QE LYS 39 QE LYS 39 -11.688 -2.940 -4.648 387 QZ LYS 39 QZ LYS 39 -10.658 -3.976 -2.925 388 HA PRO 40 HA PRO 40 -11.523 -1.252 0.874 389 1HB PRO 40 2HB PRO 40 -11.598 -1.881 3.576 390 2HB PRO 40 3HB PRO 40 -11.126 -3.011 2.305 391 1HG PRO 40 2HG PRO 40 -9.438 -1.761 4.361 392 2HG PRO 40 3HG PRO 40 -9.035 -3.082 3.261 393 1HD PRO 40 2HD PRO 40 -8.295 -0.259 3.042 394 2HD PRO 40 3HD PRO 40 -7.761 -1.618 2.032 395 QB PRO 40 QB PRO 40 -11.362 -2.447 2.940 396 QG PRO 40 QG PRO 40 -9.237 -2.422 3.812 397 QD PRO 40 QD PRO 40 -8.027 -0.939 2.538 398 H ASP 41 HN ASP 41 -10.547 0.105 3.979 399 HA ASP 41 HA ASP 41 -12.500 2.349 3.556 400 1HB ASP 41 2HB ASP 41 -13.398 1.077 5.362 401 2HB ASP 41 3HB ASP 41 -11.809 0.730 6.030 402 QB ASP 41 QB ASP 41 -12.604 0.903 5.696 403 H SER 42 HN SER 42 -9.973 1.647 5.867 404 HA SER 42 HA SER 42 -8.427 4.017 4.931 405 1HB SER 42 2HB SER 42 -7.898 4.461 7.348 406 2HB SER 42 3HB SER 42 -9.649 4.510 7.073 407 HG SER 42 HG SER 42 -9.890 2.521 7.881 408 QB SER 42 QB SER 42 -8.774 4.486 7.210 409 H VAL 43 HN VAL 43 -6.198 3.821 6.213 410 HA VAL 43 HA VAL 43 -5.162 1.045 5.736 411 HB VAL 43 HB VAL 43 -4.208 2.873 4.280 412 1HG1 VAL 43 1HG VAL 43 -4.479 4.745 5.869 413 2HG1 VAL 43 2HG VAL 43 -3.239 4.051 6.912 414 3HG1 VAL 43 3HG VAL 43 -2.819 4.632 5.304 415 1HG2 VAL 43 2HG VAL 43 -2.778 0.944 4.860 416 2HG2 VAL 43 3HG VAL 43 -1.819 2.413 4.717 417 3HG2 VAL 43 1HG VAL 43 -2.223 1.777 6.306 418 QG1 VAL 43 QG1 VAL 43 -3.512 4.476 6.028 419 QG2 VAL 43 QG2 VAL 43 -2.273 1.712 5.294 420 QQG VAL 43 QQG VAL 43 -2.893 3.094 5.662 421 H THR 44 HN THR 44 -6.606 2.214 7.944 422 HA THR 44 HA THR 44 -4.622 1.833 10.147 423 HB THR 44 HB THR 44 -6.764 3.177 11.317 424 HG1 THR 44 1HG THR 44 -7.787 3.472 9.302 425 1HG2 THR 44 3HG THR 44 -4.521 4.502 9.712 426 2HG2 THR 44 1HG THR 44 -5.412 5.237 11.040 427 3HG2 THR 44 2HG THR 44 -4.314 3.895 11.353 428 QG2 THR 44 QG2 THR 44 -4.749 4.545 10.701 429 H GLN 45 HN GLN 45 -7.989 1.388 9.115 430 HA GLN 45 HA GLN 45 -8.376 -0.739 11.151 431 1HB GLN 45 2HB GLN 45 -10.304 0.135 8.957 432 2HB GLN 45 3HB GLN 45 -10.694 -0.792 10.395 433 1HG GLN 45 2HG GLN 45 -9.918 1.255 11.750 434 2HG GLN 45 3HG GLN 45 -9.935 2.141 10.228 435 1HE2 GLN 45 2HE GLN 45 -13.482 2.344 10.102 436 2HE2 GLN 45 1HE GLN 45 -12.033 2.613 9.257 437 QB GLN 45 QB GLN 45 -10.498 -0.329 9.677 438 QG GLN 45 QG GLN 45 -9.926 1.698 10.989 439 QE2 GLN 45 QE2 GLN 45 -12.758 2.478 9.680 440 H ILE 46 HN ILE 46 -6.357 -1.484 9.687 441 HA ILE 46 HA ILE 46 -7.420 -3.231 7.501 442 HB ILE 46 HB ILE 46 -4.669 -2.094 7.998 443 1HG1 ILE 46 2HG ILE 46 -6.365 -0.703 6.860 444 2HG1 ILE 46 3HG ILE 46 -4.856 -0.975 5.987 445 1HG2 ILE 46 1HG ILE 46 -5.428 -4.241 6.018 446 2HG2 ILE 46 2HG ILE 46 -3.886 -3.389 6.032 447 3HG2 ILE 46 3HG ILE 46 -4.331 -4.428 7.376 448 1HD1 ILE 46 2HD ILE 46 -7.405 -2.533 5.610 449 2HD1 ILE 46 3HD ILE 46 -6.790 -1.281 4.536 450 3HD1 ILE 46 1HD ILE 46 -5.895 -2.784 4.732 451 QG1 ILE 46 QG1 ILE 46 -5.610 -0.839 6.424 452 QG2 ILE 46 QG2 ILE 46 -4.549 -4.019 6.475 453 QD1 ILE 46 QD1 ILE 46 -6.696 -2.199 4.959 454 H LYS 47 HN LYS 47 -7.092 -5.371 7.536 455 HA LYS 47 HA LYS 47 -5.742 -6.565 9.910 456 1HB LYS 47 2HB LYS 47 -7.752 -8.398 9.166 457 2HB LYS 47 3HB LYS 47 -7.720 -7.398 10.601 458 1HG LYS 47 2HG LYS 47 -9.823 -6.980 9.546 459 2HG LYS 47 3HG LYS 47 -8.841 -5.562 9.272 460 1HD LYS 47 2HD LYS 47 -10.034 -6.134 7.223 461 2HD LYS 47 3HD LYS 47 -8.323 -6.386 6.962 462 1HE LYS 47 2HE LYS 47 -9.890 -8.734 7.938 463 2HE LYS 47 3HE LYS 47 -10.171 -8.210 6.282 464 1HZ LYS 47 3HZ LYS 47 -7.421 -8.217 6.641 465 2HZ LYS 47 1HZ LYS 47 -7.997 -9.676 7.296 466 3HZ LYS 47 2HZ LYS 47 -8.337 -9.255 5.688 467 QB LYS 47 QB LYS 47 -7.737 -7.899 9.884 468 QG LYS 47 QG LYS 47 -9.332 -6.270 9.409 469 QD LYS 47 QD LYS 47 -9.179 -6.260 7.091 470 QE LYS 47 QE LYS 47 -10.031 -8.471 7.109 471 QZ LYS 47 QZ LYS 47 -7.918 -9.049 6.542 472 HA PRO 48 HA PRO 48 -3.765 -9.355 7.010 473 1HB PRO 48 2HB PRO 48 -4.211 -11.579 8.917 474 2HB PRO 48 3HB PRO 48 -2.693 -10.887 8.334 475 1HG PRO 48 2HG PRO 48 -3.605 -10.499 10.894 476 2HG PRO 48 3HG PRO 48 -2.588 -9.325 10.052 477 1HD PRO 48 2HD PRO 48 -5.543 -9.234 10.573 478 2HD PRO 48 3HD PRO 48 -4.377 -7.901 10.455 479 QB PRO 48 QB PRO 48 -3.452 -11.233 8.625 480 QG PRO 48 QG PRO 48 -3.097 -9.911 10.473 481 QD PRO 48 QD PRO 48 -4.960 -8.567 10.515 482 H HIS 49 HN HIS 49 -4.342 -10.952 5.508 483 HA HIS 49 HA HIS 49 -5.701 -12.480 4.342 484 1HB HIS 49 2HB HIS 49 -7.716 -12.319 6.592 485 2HB HIS 49 3HB HIS 49 -7.591 -13.542 5.363 486 HD1 HIS 49 HD1 HIS 49 -7.563 -14.837 7.818 487 HD2 HIS 49 HD2 HIS 49 -4.007 -13.187 6.568 488 HE1 HIS 49 HE1 HIS 49 -5.754 -15.953 9.156 489 QB HIS 49 QB HIS 49 -7.653 -12.930 5.977 490 H SER 50 HN SER 50 -5.661 -10.418 3.199 491 HA SER 50 HA SER 50 -7.947 -9.806 1.777 492 1HB SER 50 2HB SER 50 -8.534 -7.497 2.863 493 2HB SER 50 3HB SER 50 -9.147 -8.939 3.689 494 HG SER 50 HG SER 50 -6.526 -8.327 4.325 495 QB SER 50 QB SER 50 -8.840 -8.219 3.277 496 H THR 51 HN THR 51 -7.752 -7.551 0.668 497 HA THR 51 HA THR 51 -4.866 -6.745 0.536 498 HB THR 51 HB THR 51 -5.456 -6.229 -1.950 499 HG1 THR 51 1HG THR 51 -7.678 -6.214 -1.664 500 1HG2 THR 51 1HG THR 51 -4.344 -8.440 -1.327 501 2HG2 THR 51 2HG THR 51 -5.950 -9.134 -1.162 502 3HG2 THR 51 3HG THR 51 -5.390 -8.534 -2.715 503 QG2 THR 51 QG2 THR 51 -5.228 -8.703 -1.735 504 H VAL 52 HN VAL 52 -4.557 -4.607 -0.435 505 HA VAL 52 HA VAL 52 -6.747 -2.681 0.274 506 HB VAL 52 HB VAL 52 -3.731 -2.186 0.215 507 1HG1 VAL 52 1HG VAL 52 -5.098 -0.171 -0.282 508 2HG1 VAL 52 2HG VAL 52 -6.021 -0.432 1.193 509 3HG1 VAL 52 3HG VAL 52 -4.313 -0.028 1.287 510 1HG2 VAL 52 3HG VAL 52 -5.612 -2.540 2.573 511 2HG2 VAL 52 1HG VAL 52 -4.331 -3.646 2.100 512 3HG2 VAL 52 2HG VAL 52 -3.929 -2.042 2.700 513 QG1 VAL 52 QG1 VAL 52 -5.144 -0.211 0.733 514 QG2 VAL 52 QG2 VAL 52 -4.624 -2.743 2.458 515 QQG VAL 52 QQG VAL 52 -4.883 -1.477 1.595 516 H ASP 53 HN ASP 53 -7.198 -1.155 -1.368 517 HA ASP 53 HA ASP 53 -5.780 -1.625 -3.968 518 1HB ASP 53 2HB ASP 53 -8.688 -0.870 -3.523 519 2HB ASP 53 3HB ASP 53 -7.915 -1.020 -5.085 520 QB ASP 53 QB ASP 53 -8.301 -0.945 -4.304 521 H PHE 54 HN PHE 54 -5.208 0.221 -5.120 522 HA PHE 54 HA PHE 54 -6.204 2.827 -4.342 523 1HB PHE 54 2HB PHE 54 -4.247 3.769 -3.367 524 2HB PHE 54 3HB PHE 54 -4.547 2.272 -2.501 525 HD1 PHE 54 2HD PHE 54 -3.345 0.172 -4.135 526 HD2 PHE 54 1HD PHE 54 -2.013 4.172 -3.531 527 HE1 PHE 54 2HE PHE 54 -1.025 -0.543 -4.470 528 HE2 PHE 54 1HE PHE 54 0.301 3.452 -3.861 529 HZ PHE 54 HZ PHE 54 0.810 1.091 -4.339 530 QB PHE 54 QB PHE 54 -4.397 3.021 -2.934 531 QR PHE 54 QR PHE 54 -1.520 1.813 -4.000 532 NH1 ARG 55 NH1 ARG 55 -8.077 6.519 -4.730 533 NH2 ARG 55 NH2 ARG 55 -9.520 7.352 -6.295 534 H ARG 55 HN ARG 55 -5.078 4.589 -5.553 535 HA ARG 55 HA ARG 55 -4.301 3.508 -8.230 536 1HB ARG 55 2HB ARG 55 -5.142 6.324 -7.452 537 2HB ARG 55 3HB ARG 55 -4.886 5.738 -9.080 538 1HG ARG 55 2HG ARG 55 -6.804 4.413 -9.079 539 2HG ARG 55 3HG ARG 55 -6.859 4.312 -7.322 540 1HD ARG 55 2HD ARG 55 -7.398 6.838 -8.931 541 2HD ARG 55 3HD ARG 55 -8.635 5.811 -8.191 542 HE ARG 55 HE ARG 55 -6.504 7.216 -6.573 543 1HH1 ARG 55 2HH ARG 55 -7.140 6.221 -4.513 544 2HH1 ARG 55 1HH ARG 55 -8.773 6.518 -4.005 545 1HH2 ARG 55 2HH ARG 55 -9.670 7.663 -7.234 546 2HH2 ARG 55 1HH ARG 55 -10.272 7.392 -5.638 547 QB ARG 55 QB ARG 55 -5.014 6.032 -8.266 548 QG ARG 55 QG ARG 55 -6.831 4.362 -8.201 549 QD ARG 55 QD ARG 55 -8.016 6.325 -8.561 550 QH1 ARG 55 QH1 ARG 55 -7.957 6.370 -4.260 551 QH2 ARG 55 QH2 ARG 55 -9.971 7.528 -6.436 552 H VAL 56 HN VAL 56 -2.998 5.662 -9.191 553 HA VAL 56 HA VAL 56 -0.648 5.957 -7.423 554 HB VAL 56 HB VAL 56 0.572 5.936 -9.672 555 1HG1 VAL 56 3HG VAL 56 0.529 4.003 -8.083 556 2HG1 VAL 56 1HG VAL 56 -0.934 3.425 -8.871 557 3HG1 VAL 56 2HG VAL 56 0.584 3.472 -9.760 558 1HG2 VAL 56 1HG VAL 56 -1.429 6.342 -11.083 559 2HG2 VAL 56 2HG VAL 56 -0.603 4.868 -11.536 560 3HG2 VAL 56 3HG VAL 56 -2.074 4.783 -10.587 561 QG1 VAL 56 QG1 VAL 56 0.060 3.633 -8.904 562 QG2 VAL 56 QG2 VAL 56 -1.368 5.331 -11.069 563 QQG VAL 56 QQG VAL 56 -0.655 4.482 -9.987 564 H LYS 57 HN LYS 57 -1.986 7.945 -6.864 565 HA LYS 57 HA LYS 57 -2.777 10.165 -7.849 566 1HB LYS 57 2HB LYS 57 -0.158 10.079 -6.329 567 2HB LYS 57 3HB LYS 57 -0.894 11.601 -6.757 568 1HG LYS 57 2HG LYS 57 -2.208 9.429 -5.106 569 2HG LYS 57 3HG LYS 57 -1.479 10.884 -4.461 570 1HD LYS 57 2HD LYS 57 -3.899 10.795 -6.309 571 2HD LYS 57 3HD LYS 57 -3.919 11.123 -4.591 572 1HE LYS 57 2HE LYS 57 -3.993 13.275 -5.462 573 2HE LYS 57 3HE LYS 57 -2.279 13.064 -5.138 574 1HZ LYS 57 2HZ LYS 57 -2.836 12.114 -7.732 575 2HZ LYS 57 3HZ LYS 57 -3.473 13.687 -7.566 576 3HZ LYS 57 1HZ LYS 57 -1.831 13.393 -7.235 577 QB LYS 57 QB LYS 57 -0.527 10.840 -6.544 578 QG LYS 57 QG LYS 57 -1.843 10.156 -4.783 579 QD LYS 57 QD LYS 57 -3.909 10.959 -5.449 580 QE LYS 57 QE LYS 57 -3.136 13.170 -5.300 581 QZ LYS 57 QZ LYS 57 -2.713 13.065 -7.511 582 H ALA 58 HN ALA 58 0.644 9.630 -8.355 583 HA ALA 58 HA ALA 58 1.518 9.585 -10.693 584 1HB ALA 58 1HB ALA 58 0.119 12.286 -10.845 585 2HB ALA 58 2HB ALA 58 1.194 11.628 -12.076 586 3HB ALA 58 3HB ALA 58 -0.337 10.834 -11.733 587 QB ALA 58 QB ALA 58 0.325 11.583 -11.551 588 H GLU 59 HN GLU 59 1.206 12.656 -9.028 589 HA GLU 59 HA GLU 59 3.424 14.031 -9.174 590 1HB GLU 59 2HB GLU 59 2.332 13.065 -6.508 591 2HB GLU 59 3HB GLU 59 3.443 14.412 -6.687 592 1HG GLU 59 2HG GLU 59 1.495 15.638 -6.767 593 2HG GLU 59 3HG GLU 59 1.521 15.175 -8.460 594 QB GLU 59 QB GLU 59 2.888 13.739 -6.597 595 QG GLU 59 QG GLU 59 1.508 15.406 -7.614 596 H ASP 60 HN ASP 60 3.571 11.354 -6.839 597 HA ASP 60 HA ASP 60 6.377 10.830 -7.644 598 1HB ASP 60 2HB ASP 60 6.547 12.222 -5.613 599 2HB ASP 60 3HB ASP 60 5.427 11.162 -4.765 600 QB ASP 60 QB ASP 60 5.987 11.692 -5.189 601 H ILE 61 HN ILE 61 4.868 9.269 -8.732 602 HA ILE 61 HA ILE 61 3.945 7.068 -7.025 603 HB ILE 61 HB ILE 61 3.962 7.481 -10.027 604 1HG1 ILE 61 2HG ILE 61 2.484 8.976 -8.848 605 2HG1 ILE 61 3HG ILE 61 1.501 7.752 -9.632 606 1HG2 ILE 61 3HG ILE 61 4.040 5.058 -9.507 607 2HG2 ILE 61 1HG ILE 61 2.657 5.243 -8.437 608 3HG2 ILE 61 2HG ILE 61 2.479 5.519 -10.166 609 1HD1 ILE 61 1HD ILE 61 1.405 6.526 -7.436 610 2HD1 ILE 61 2HD ILE 61 2.296 7.852 -6.694 611 3HD1 ILE 61 3HD ILE 61 0.702 8.131 -7.341 612 QG1 ILE 61 QG1 ILE 61 1.993 8.364 -9.240 613 QG2 ILE 61 QG2 ILE 61 3.059 5.274 -9.370 614 QD1 ILE 61 QD1 ILE 61 1.468 7.503 -7.157 615 H LEU 62 HN LEU 62 6.620 7.572 -9.262 616 HA LEU 62 HA LEU 62 7.597 4.977 -9.535 617 1HB LEU 62 2HB LEU 62 8.726 6.992 -10.455 618 2HB LEU 62 3HB LEU 62 9.234 7.439 -8.839 619 HG LEU 62 HG LEU 62 10.374 5.104 -8.749 620 1HD1 LEU 62 3HD LEU 62 9.996 5.412 -11.753 621 2HD1 LEU 62 1HD LEU 62 11.010 4.206 -10.969 622 3HD1 LEU 62 2HD LEU 62 9.263 4.161 -10.753 623 1HD2 LEU 62 3HD LEU 62 11.369 7.253 -10.659 624 2HD2 LEU 62 1HD LEU 62 11.587 7.246 -8.909 625 3HD2 LEU 62 2HD LEU 62 12.370 6.020 -9.899 626 QB LEU 62 QB LEU 62 8.980 7.216 -9.647 627 QD1 LEU 62 QD1 LEU 62 10.089 4.593 -11.158 628 QD2 LEU 62 QD2 LEU 62 11.776 6.840 -9.822 629 QQD LEU 62 QQD LEU 62 10.933 5.716 -10.490 630 H ALA 63 HN ALA 63 8.155 7.195 -6.853 631 HA ALA 63 HA ALA 63 9.648 5.454 -5.170 632 1HB ALA 63 2HB ALA 63 9.512 7.898 -4.832 633 2HB ALA 63 3HB ALA 63 7.815 7.742 -4.391 634 3HB ALA 63 1HB ALA 63 9.062 7.027 -3.371 635 QB ALA 63 QB ALA 63 8.797 7.556 -4.198 636 H VAL 64 HN VAL 64 6.350 5.486 -5.914 637 HA VAL 64 HA VAL 64 5.479 4.049 -3.486 638 HB VAL 64 HB VAL 64 3.968 4.772 -6.033 639 1HG1 VAL 64 2HG VAL 64 2.987 2.858 -4.783 640 2HG1 VAL 64 3HG VAL 64 2.955 3.841 -3.322 641 3HG1 VAL 64 1HG VAL 64 1.964 4.286 -4.708 642 1HG2 VAL 64 3HG VAL 64 4.788 6.726 -4.731 643 2HG2 VAL 64 1HG VAL 64 3.039 6.588 -4.675 644 3HG2 VAL 64 2HG VAL 64 4.006 6.083 -3.294 645 QG1 VAL 64 QG1 VAL 64 2.635 3.661 -4.271 646 QG2 VAL 64 QG2 VAL 64 3.944 6.466 -4.233 647 QQG VAL 64 QQG VAL 64 3.290 5.064 -4.252 648 H GLU 65 HN GLU 65 5.826 3.500 -6.994 649 HA GLU 65 HA GLU 65 5.104 0.694 -6.828 650 1HB GLU 65 2HB GLU 65 7.028 1.866 -8.861 651 2HB GLU 65 3HB GLU 65 5.898 0.535 -9.076 652 1HG GLU 65 2HG GLU 65 4.118 2.451 -8.464 653 2HG GLU 65 3HG GLU 65 5.388 3.482 -9.115 654 QB GLU 65 QB GLU 65 6.463 1.200 -8.968 655 QG GLU 65 QG GLU 65 4.753 2.967 -8.789 656 H ASP 66 HN ASP 66 7.864 2.632 -6.397 657 HA ASP 66 HA ASP 66 9.965 0.659 -6.202 658 1HB ASP 66 2HB ASP 66 10.302 3.058 -6.697 659 2HB ASP 66 3HB ASP 66 9.616 3.488 -5.144 660 QB ASP 66 QB ASP 66 9.959 3.273 -5.921 661 H PHE 67 HN PHE 67 8.482 2.646 -3.655 662 HA PHE 67 HA PHE 67 9.287 1.575 -1.315 663 1HB PHE 67 2HB PHE 67 7.484 3.234 -1.422 664 2HB PHE 67 3HB PHE 67 6.374 2.034 -2.067 665 HD1 PHE 67 1HD PHE 67 5.455 0.274 -0.632 666 HD2 PHE 67 2HD PHE 67 8.122 3.193 0.977 667 HE1 PHE 67 1HE PHE 67 4.892 -0.454 1.641 668 HE2 PHE 67 2HE PHE 67 7.567 2.433 3.250 669 HZ PHE 67 HZ PHE 67 5.984 0.588 3.582 670 QB PHE 67 QB PHE 67 6.929 2.634 -1.744 671 QR PHE 67 QR PHE 67 6.509 1.362 1.309 672 H LEU 68 HN LEU 68 6.707 0.044 -3.189 673 HA LEU 68 HA LEU 68 6.185 -2.224 -1.661 674 1HB LEU 68 2HB LEU 68 6.467 -2.056 -4.682 675 2HB LEU 68 3HB LEU 68 5.676 -3.376 -3.832 676 HG LEU 68 HG LEU 68 4.831 -0.462 -3.593 677 1HD1 LEU 68 1HD LEU 68 3.670 -2.715 -5.267 678 2HD1 LEU 68 2HD LEU 68 2.962 -1.113 -5.088 679 3HD1 LEU 68 3HD LEU 68 4.514 -1.308 -5.895 680 1HD2 LEU 68 3HD LEU 68 3.503 -3.072 -2.755 681 2HD2 LEU 68 1HD LEU 68 4.202 -1.883 -1.663 682 3HD2 LEU 68 2HD LEU 68 2.780 -1.475 -2.605 683 QB LEU 68 QB LEU 68 6.071 -2.716 -4.257 684 QD1 LEU 68 QD1 LEU 68 3.715 -1.712 -5.417 685 QD2 LEU 68 QD2 LEU 68 3.496 -2.144 -2.341 686 QQD LEU 68 QQD LEU 68 3.606 -1.928 -3.879 687 H GLU 69 HN GLU 69 8.749 -1.891 -4.042 688 HA GLU 69 HA GLU 69 9.816 -4.549 -3.632 689 1HB GLU 69 2HB GLU 69 10.077 -2.550 -5.552 690 2HB GLU 69 3HB GLU 69 11.646 -2.521 -4.769 691 1HG GLU 69 2HG GLU 69 11.874 -4.147 -6.500 692 2HG GLU 69 3HG GLU 69 11.592 -5.124 -5.065 693 QB GLU 69 QB GLU 69 10.861 -2.536 -5.161 694 QG GLU 69 QG GLU 69 11.733 -4.635 -5.783 695 H GLN 70 HN GLN 70 10.910 -1.288 -2.665 696 HA GLN 70 HA GLN 70 13.259 -2.016 -1.310 697 1HB GLN 70 2HB GLN 70 11.220 0.110 -0.617 698 2HB GLN 70 3HB GLN 70 12.687 -0.108 0.329 699 1HG GLN 70 2HG GLN 70 13.907 -0.011 -1.994 700 2HG GLN 70 3HG GLN 70 12.419 0.739 -2.556 701 1HE2 GLN 70 2HE GLN 70 13.193 3.829 -1.071 702 2HE2 GLN 70 1HE GLN 70 12.205 2.948 -2.140 703 QB GLN 70 QB GLN 70 11.954 0.001 -0.144 704 QG GLN 70 QG GLN 70 13.163 0.364 -2.275 705 QE2 GLN 70 QE2 GLN 70 12.699 3.389 -1.605 706 H ASN 71 HN ASN 71 9.940 -2.342 -0.182 707 HA ASN 71 HA ASN 71 11.007 -3.880 2.148 708 1HB ASN 71 2HB ASN 71 8.203 -3.095 2.384 709 2HB ASN 71 3HB ASN 71 9.546 -2.780 3.462 710 1HD2 ASN 71 2HD ASN 71 8.173 0.206 1.245 711 2HD2 ASN 71 1HD ASN 71 7.362 -1.269 1.382 712 QB ASN 71 QB ASN 71 8.875 -2.938 2.924 713 QD2 ASN 71 QD2 ASN 71 7.767 -0.531 1.314 714 H GLU 72 HN GLU 72 10.715 -5.006 -0.402 715 HA GLU 72 HA GLU 72 9.210 -6.425 -1.668 716 1HB GLU 72 2HB GLU 72 10.489 -7.921 0.628 717 2HB GLU 72 3HB GLU 72 9.808 -8.694 -0.793 718 1HG GLU 72 2HG GLU 72 11.355 -7.322 -2.227 719 2HG GLU 72 3HG GLU 72 12.091 -6.686 -0.761 720 QB GLU 72 QB GLU 72 10.149 -8.307 -0.082 721 QG GLU 72 QG GLU 72 11.723 -7.004 -1.494 722 H LEU 73 HN LEU 73 7.196 -5.391 -0.982 723 HA LEU 73 HA LEU 73 5.575 -7.019 0.913 724 1HB LEU 73 2HB LEU 73 5.410 -4.292 -0.133 725 2HB LEU 73 3HB LEU 73 3.890 -5.138 -0.390 726 HG LEU 73 HG LEU 73 3.961 -5.828 2.036 727 1HD1 LEU 73 3HD LEU 73 6.246 -3.840 2.141 728 2HD1 LEU 73 1HD LEU 73 5.449 -4.548 3.541 729 3HD1 LEU 73 2HD LEU 73 6.361 -5.571 2.442 730 1HD2 LEU 73 3HD LEU 73 4.000 -2.838 1.499 731 2HD2 LEU 73 1HD LEU 73 2.603 -3.896 1.319 732 3HD2 LEU 73 2HD LEU 73 3.292 -3.614 2.913 733 QB LEU 73 QB LEU 73 4.650 -4.715 -0.262 734 QD1 LEU 73 QD1 LEU 73 6.018 -4.653 2.708 735 QD2 LEU 73 QD2 LEU 73 3.298 -3.449 1.910 736 QQD LEU 73 QQD LEU 73 4.658 -4.051 2.309 737 H GLN 74 HN GLN 74 3.247 -7.501 -0.088 738 HA GLN 74 HA GLN 74 3.817 -8.836 -2.709 739 1HB GLN 74 2HB GLN 74 1.602 -9.381 -0.706 740 2HB GLN 74 3HB GLN 74 1.851 -10.265 -2.200 741 1HG GLN 74 2HG GLN 74 4.174 -10.871 -1.321 742 2HG GLN 74 3HG GLN 74 3.674 -10.186 0.227 743 1HE2 GLN 74 2HE GLN 74 1.588 -12.933 1.060 744 2HE2 GLN 74 1HE GLN 74 2.169 -11.399 1.511 745 QB GLN 74 QB GLN 74 1.727 -9.822 -1.453 746 QG GLN 74 QG GLN 74 3.923 -10.528 -0.547 747 QE2 GLN 74 QE2 GLN 74 1.879 -12.166 1.285 748 OH TYR 75 OH TYR 75 7.237 -6.660 -7.333 749 H TYR 75 HN TYR 75 3.276 -7.411 -4.243 750 HA TYR 75 HA TYR 75 0.637 -6.021 -4.052 751 1HB TYR 75 2HB TYR 75 1.669 -4.481 -5.811 752 2HB TYR 75 3HB TYR 75 2.422 -4.408 -4.223 753 HD1 TYR 75 HD1 TYR 75 4.652 -5.399 -3.842 754 HD2 TYR 75 HD2 TYR 75 2.865 -5.558 -7.703 755 HE1 TYR 75 HE1 TYR 75 6.789 -6.099 -4.803 756 HE2 TYR 75 HE2 TYR 75 5.015 -6.252 -8.658 757 HH TYR 75 HH TYR 75 7.967 -6.123 -6.963 758 QB TYR 75 QB TYR 75 2.046 -4.445 -5.016 759 QR TYR 75 QR TYR 75 4.830 -5.827 -6.251 760 H GLU 76 HN GLU 76 -0.731 -6.054 -5.803 761 HA GLU 76 HA GLU 76 -0.166 -8.082 -7.939 762 1HB GLU 76 2HB GLU 76 -1.858 -8.986 -6.378 763 2HB GLU 76 3HB GLU 76 -2.786 -7.497 -6.481 764 1HG GLU 76 2HG GLU 76 -2.973 -7.996 -9.031 765 2HG GLU 76 3HG GLU 76 -2.395 -9.608 -8.631 766 QB GLU 76 QB GLU 76 -2.321 -8.242 -6.429 767 QG GLU 76 QG GLU 76 -2.684 -8.802 -8.831 768 H VAL 77 HN VAL 77 -1.076 -7.531 -9.982 769 HA VAL 77 HA VAL 77 -2.040 -4.717 -10.188 770 HB VAL 77 HB VAL 77 -0.175 -6.091 -12.167 771 1HG1 VAL 77 3HG VAL 77 -1.084 -3.194 -11.868 772 2HG1 VAL 77 1HG VAL 77 0.050 -3.788 -13.080 773 3HG1 VAL 77 2HG VAL 77 -1.631 -4.311 -13.116 774 1HG2 VAL 77 1HG VAL 77 0.435 -4.001 -10.032 775 2HG2 VAL 77 2HG VAL 77 0.985 -5.673 -10.006 776 3HG2 VAL 77 3HG VAL 77 1.578 -4.571 -11.242 777 QG1 VAL 77 QG1 VAL 77 -0.889 -3.764 -12.688 778 QG2 VAL 77 QG2 VAL 77 0.999 -4.749 -10.427 779 QQG VAL 77 QQG VAL 77 0.056 -4.257 -11.557 780 H LEU 78 HN LEU 78 -3.859 -4.554 -11.308 781 HA LEU 78 HA LEU 78 -4.799 -6.846 -12.957 782 1HB LEU 78 2HB LEU 78 -6.458 -5.059 -11.134 783 2HB LEU 78 3HB LEU 78 -7.111 -6.289 -12.205 784 HG LEU 78 HG LEU 78 -5.212 -6.803 -9.882 785 1HD1 LEU 78 3HD LEU 78 -8.179 -7.376 -10.238 786 2HD1 LEU 78 1HD LEU 78 -7.206 -7.897 -8.868 787 3HD1 LEU 78 2HD LEU 78 -7.482 -6.182 -9.148 788 1HD2 LEU 78 2HD LEU 78 -6.646 -8.729 -11.756 789 2HD2 LEU 78 3HD LEU 78 -4.908 -8.445 -11.711 790 3HD2 LEU 78 1HD LEU 78 -5.709 -9.196 -10.339 791 QB LEU 78 QB LEU 78 -6.784 -5.674 -11.669 792 QD1 LEU 78 QD1 LEU 78 -7.622 -7.152 -9.418 793 QD2 LEU 78 QD2 LEU 78 -5.754 -8.791 -11.269 794 QQD LEU 78 QQD LEU 78 -6.689 -7.971 -10.343 795 H ILE 79 HN ILE 79 -4.412 -6.004 -14.890 796 HA ILE 79 HA ILE 79 -4.331 -3.422 -15.786 797 HB ILE 79 HB ILE 79 -4.909 -4.462 -18.013 798 1HG1 ILE 79 2HG ILE 79 -5.074 -7.043 -16.431 799 2HG1 ILE 79 3HG ILE 79 -6.489 -6.189 -17.035 800 1HG2 ILE 79 3HG ILE 79 -2.604 -4.387 -17.127 801 2HG2 ILE 79 1HG ILE 79 -2.882 -5.901 -16.274 802 3HG2 ILE 79 2HG ILE 79 -2.867 -5.869 -18.033 803 1HD1 ILE 79 2HD ILE 79 -5.607 -6.380 -19.351 804 2HD1 ILE 79 3HD ILE 79 -4.208 -7.259 -18.738 805 3HD1 ILE 79 1HD ILE 79 -5.814 -7.962 -18.607 806 QG1 ILE 79 QG1 ILE 79 -5.781 -6.616 -16.733 807 QG2 ILE 79 QG2 ILE 79 -2.784 -5.386 -17.145 808 QD1 ILE 79 QD1 ILE 79 -5.210 -7.201 -18.899 809 H ASN 80 HN ASN 80 -6.062 -2.396 -14.511 810 HA ASN 80 HA ASN 80 -8.824 -2.767 -15.519 811 1HB ASN 80 2HB ASN 80 -7.546 -1.206 -13.268 812 2HB ASN 80 3HB ASN 80 -9.172 -0.795 -13.802 813 1HD2 ASN 80 2HD ASN 80 -8.577 -4.227 -11.710 814 2HD2 ASN 80 1HD ASN 80 -7.246 -3.264 -12.149 815 QB ASN 80 QB ASN 80 -8.358 -1.000 -13.535 816 QD2 ASN 80 QD2 ASN 80 -7.912 -3.745 -11.929 817 H ASN 81 HN ASN 81 -7.184 -2.056 -17.469 818 HA ASN 81 HA ASN 81 -8.280 0.437 -18.421 819 1HB ASN 81 2HB ASN 81 -5.977 1.492 -18.777 820 2HB ASN 81 3HB ASN 81 -6.536 1.470 -17.111 821 1HD2 ASN 81 ASN 81 -3.832 -1.513 -17.867 822 2HD2 ASN 81 1HD ASN 81 -5.207 -1.372 -18.857 823 QB ASN 81 QB ASN 81 -6.256 1.481 -17.944 824 QD2 ASN 81 QD2 ASN 81 -4.518 -1.443 -18.362 Start of MODEL 15 Raw file had 824 H/Q atoms Start of MODEL 15 1 1H HIS 1 HN1 HIS 1 10.210 12.143 -10.263 2 2H HIS 1 HN2 HIS 1 9.461 13.585 -9.951 3 3H HIS 1 HN3 HIS 1 9.611 13.053 -11.511 4 HA HIS 1 HA HIS 1 11.537 14.060 -11.747 5 1HB HIS 1 2HB HIS 1 11.488 14.748 -8.806 6 2HB HIS 1 3HB HIS 1 12.242 15.640 -10.098 7 HD1 HIS 1 HD1 HIS 1 8.902 14.896 -8.673 8 HD2 HIS 1 HD2 HIS 1 10.521 17.515 -11.418 9 HE1 HIS 1 HE1 HIS 1 7.082 16.514 -9.283 10 QB HIS 1 QB HIS 1 11.866 15.194 -9.452 11 H HIS 2 HN HIS 2 12.337 11.726 -11.909 12 HA HIS 2 HA HIS 2 14.229 11.183 -9.655 13 1HB HIS 2 2HB HIS 2 12.243 9.679 -9.778 14 2HB HIS 2 3HB HIS 2 12.779 9.139 -11.342 15 HD1 HIS 2 HD1 HIS 2 13.755 9.088 -7.779 16 HD2 HIS 2 HD2 HIS 2 14.876 7.176 -11.249 17 HE1 HIS 2 HE1 HIS 2 15.311 7.221 -7.104 18 QB HIS 2 QB HIS 2 12.511 9.410 -10.560 19 H SER 3 HN SER 3 14.049 9.296 -12.658 20 HA SER 3 HA SER 3 16.527 10.616 -13.612 21 1HB SER 3 2HB SER 3 16.457 7.634 -13.000 22 2HB SER 3 3HB SER 3 17.837 8.550 -13.631 23 HG SER 3 HG SER 3 17.032 9.927 -11.577 24 QB SER 3 QB SER 3 17.147 8.092 -13.315 25 H GLY 4 HN GLY 4 13.829 10.332 -14.741 26 1HA GLY 4 1HA GLY 4 13.868 10.316 -17.308 27 2HA GLY 4 2HA GLY 4 14.567 8.713 -17.158 28 QA GLY 4 QA GLY 4 14.217 9.515 -17.233 29 H GLU 5 HN GLU 5 11.754 10.454 -15.867 30 HA GLU 5 HA GLU 5 10.108 8.001 -16.239 31 1HB GLU 5 2HB GLU 5 8.403 9.448 -14.961 32 2HB GLU 5 3HB GLU 5 9.845 8.991 -14.068 33 1HG GLU 5 2HG GLU 5 10.123 11.523 -15.591 34 2HG GLU 5 3HG GLU 5 8.926 11.577 -14.308 35 QB GLU 5 QB GLU 5 9.124 9.219 -14.515 36 QG GLU 5 QG GLU 5 9.524 11.550 -14.949 37 H HIS 6 HN HIS 6 7.957 8.246 -17.367 38 HA HIS 6 HA HIS 6 8.023 10.534 -19.316 39 1HB HIS 6 2HB HIS 6 8.769 8.185 -20.142 40 2HB HIS 6 3HB HIS 6 7.080 7.766 -20.039 41 HD1 HIS 6 HD1 HIS 6 8.365 7.720 -22.708 42 HD2 HIS 6 HD2 HIS 6 6.507 11.121 -21.332 43 HE1 HIS 6 HE1 HIS 6 7.797 9.096 -24.741 44 QB HIS 6 QB HIS 6 7.924 7.976 -20.091 45 H PHE 7 HN PHE 7 6.585 10.501 -16.946 46 HA PHE 7 HA PHE 7 4.385 10.386 -16.020 47 1HB PHE 7 2HB PHE 7 4.863 12.669 -17.119 48 2HB PHE 7 3HB PHE 7 3.874 12.112 -18.465 49 HD1 PHE 7 2HD PHE 7 3.844 12.999 -14.872 50 HD2 PHE 7 1HD PHE 7 1.448 11.896 -18.218 51 HE1 PHE 7 2HE PHE 7 1.815 13.474 -13.582 52 HE2 PHE 7 1HE PHE 7 -0.577 12.377 -16.924 53 HZ PHE 7 HZ PHE 7 -0.397 13.166 -14.599 54 QB PHE 7 QB PHE 7 4.369 12.390 -17.791 55 QR PHE 7 QR PHE 7 1.633 12.686 -15.899 56 H GLU 8 HN GLU 8 4.626 8.082 -17.161 57 HA GLU 8 HA GLU 8 2.705 7.607 -19.296 58 1HB GLU 8 2HB GLU 8 3.240 5.160 -18.729 59 2HB GLU 8 3HB GLU 8 4.587 6.145 -19.267 60 1HG GLU 8 2HG GLU 8 4.135 6.118 -16.320 61 2HG GLU 8 3HG GLU 8 4.669 4.598 -17.024 62 QB GLU 8 QB GLU 8 3.914 5.652 -18.998 63 QG GLU 8 QG GLU 8 4.402 5.359 -16.671 64 H GLY 9 HN GLY 9 1.332 8.915 -17.483 65 1HA GLY 9 1HA GLY 9 -0.724 8.853 -16.391 66 2HA GLY 9 2HA GLY 9 -0.835 7.154 -16.828 67 QA GLY 9 QA GLY 9 -0.779 8.004 -16.610 68 H GLU 10 HN GLU 10 -1.814 7.180 -14.650 69 HA GLU 10 HA GLU 10 0.162 7.175 -12.448 70 1HB GLU 10 2HB GLU 10 -1.882 6.865 -11.006 71 2HB GLU 10 3HB GLU 10 -1.879 8.354 -11.932 72 1HG GLU 10 2HG GLU 10 -3.498 7.556 -13.466 73 2HG GLU 10 3HG GLU 10 -3.210 5.871 -13.039 74 QB GLU 10 QB GLU 10 -1.880 7.610 -11.470 75 QG GLU 10 QG GLU 10 -3.354 6.714 -13.253 76 H LYS 11 HN LYS 11 -0.270 5.356 -10.807 77 HA LYS 11 HA LYS 11 -0.508 2.761 -12.288 78 1HB LYS 11 2HB LYS 11 1.222 3.418 -9.868 79 2HB LYS 11 3HB LYS 11 1.087 1.840 -10.622 80 1HG LYS 11 2HG LYS 11 1.974 4.264 -12.206 81 2HG LYS 11 3HG LYS 11 3.116 3.286 -11.297 82 1HD LYS 11 2HD LYS 11 2.428 1.277 -12.552 83 2HD LYS 11 3HD LYS 11 1.227 2.217 -13.428 84 1HE LYS 11 2HE LYS 11 3.293 1.903 -14.757 85 2HE LYS 11 3HE LYS 11 2.982 3.602 -14.423 86 1HZ LYS 11 1HZ LYS 11 4.528 2.610 -12.308 87 2HZ LYS 11 2HZ LYS 11 5.253 2.072 -13.742 88 3HZ LYS 11 3HZ LYS 11 4.981 3.732 -13.496 89 QB LYS 11 QB LYS 11 1.155 2.629 -10.244 90 QG LYS 11 QG LYS 11 2.545 3.774 -11.751 91 QD LYS 11 QD LYS 11 1.828 1.746 -12.990 92 QE LYS 11 QE LYS 11 3.138 2.752 -14.590 93 QZ LYS 11 QZ LYS 11 4.921 2.804 -13.182 94 H VAL 12 HN VAL 12 -1.531 1.068 -11.130 95 HA VAL 12 HA VAL 12 -3.039 1.941 -8.699 96 HB VAL 12 HB VAL 12 -4.133 0.073 -10.844 97 1HG1 VAL 12 3HG VAL 12 -5.102 -0.124 -8.563 98 2HG1 VAL 12 1HG VAL 12 -5.460 1.598 -8.568 99 3HG1 VAL 12 2HG VAL 12 -6.285 0.524 -9.695 100 1HG2 VAL 12 3HG VAL 12 -4.673 3.049 -10.478 101 2HG2 VAL 12 1HG VAL 12 -3.814 2.326 -11.833 102 3HG2 VAL 12 2HG VAL 12 -5.526 1.991 -11.599 103 QG1 VAL 12 QG1 VAL 12 -5.616 0.666 -8.942 104 QG2 VAL 12 QG2 VAL 12 -4.671 2.455 -11.304 105 QQG VAL 12 QQG VAL 12 -5.143 1.561 -10.122 106 H PHE 13 HN PHE 13 -3.024 0.380 -7.057 107 HA PHE 13 HA PHE 13 -1.744 -2.222 -7.775 108 1HB PHE 13 2HB PHE 13 -1.021 -0.518 -5.366 109 2HB PHE 13 3HB PHE 13 -0.358 -2.107 -5.731 110 HD1 PHE 13 2HD PHE 13 0.598 -2.287 -8.276 111 HD2 PHE 13 1HD PHE 13 0.256 1.316 -6.044 112 HE1 PHE 13 2HE PHE 13 2.284 -1.240 -9.712 113 HE2 PHE 13 1HE PHE 13 1.941 2.371 -7.494 114 HZ PHE 13 HZ PHE 13 2.946 1.100 -9.341 115 QB PHE 13 QB PHE 13 -0.690 -1.312 -5.549 116 QR PHE 13 QR PHE 13 1.270 0.040 -7.882 117 NH1 ARG 14 NH1 ARG 14 -5.918 -8.610 -5.312 118 NH2 ARG 14 NH2 ARG 14 -6.833 -9.497 -7.206 119 H ARG 14 HN ARG 14 -2.530 -3.958 -6.819 120 HA ARG 14 HA ARG 14 -4.542 -3.579 -4.657 121 1HB ARG 14 2HB ARG 14 -5.351 -4.394 -7.040 122 2HB ARG 14 3HB ARG 14 -4.560 -5.906 -6.617 123 1HG ARG 14 2HG ARG 14 -5.965 -6.011 -4.541 124 2HG ARG 14 3HG ARG 14 -6.765 -4.531 -5.035 125 1HD ARG 14 2HD ARG 14 -8.010 -6.685 -5.646 126 2HD ARG 14 3HD ARG 14 -7.722 -5.572 -6.985 127 HE ARG 14 HE ARG 14 -5.996 -7.074 -7.825 128 1HH1 ARG 14 2HH ARG 14 -5.628 -7.802 -4.803 129 2HH1 ARG 14 1HH ARG 14 -5.770 -9.524 -4.910 130 1HH2 ARG 14 2HH ARG 14 -7.267 -9.356 -8.095 131 2HH2 ARG 14 1HH ARG 14 -6.682 -10.436 -6.863 132 QB ARG 14 QB ARG 14 -4.956 -5.150 -6.829 133 QG ARG 14 QG ARG 14 -6.365 -5.272 -4.788 134 QD ARG 14 QD ARG 14 -7.866 -6.128 -6.315 135 QH1 ARG 14 QH1 ARG 14 -5.700 -8.663 -4.857 136 QH2 ARG 14 QH2 ARG 14 -6.975 -9.896 -7.479 137 H VAL 15 HN VAL 15 -2.754 -3.508 -3.569 138 HA VAL 15 HA VAL 15 -0.898 -5.579 -3.080 139 HB VAL 15 HB VAL 15 -0.788 -3.125 -2.503 140 1HG1 VAL 15 2HG VAL 15 -3.111 -2.947 -1.623 141 2HG1 VAL 15 3HG VAL 15 -2.656 -3.940 -0.242 142 3HG1 VAL 15 1HG VAL 15 -1.929 -2.354 -0.463 143 1HG2 VAL 15 3HG VAL 15 -0.426 -5.046 -0.211 144 2HG2 VAL 15 1HG VAL 15 0.733 -4.711 -1.498 145 3HG2 VAL 15 2HG VAL 15 0.307 -3.448 -0.348 146 QG1 VAL 15 QG1 VAL 15 -2.565 -3.081 -0.776 147 QG2 VAL 15 QG2 VAL 15 0.204 -4.401 -0.686 148 QQG VAL 15 QQG VAL 15 -1.181 -3.741 -0.730 149 H ASN 16 HN ASN 16 -0.810 -7.037 -1.275 150 HA ASN 16 HA ASN 16 -3.485 -7.676 -0.083 151 1HB ASN 16 2HB ASN 16 -2.531 -9.383 -1.811 152 2HB ASN 16 3HB ASN 16 -1.348 -9.771 -0.561 153 1HD2 ASN 16 2HD ASN 16 -3.703 -11.499 1.447 154 2HD2 ASN 16 1HD ASN 16 -2.081 -11.020 1.251 155 QB ASN 16 QB ASN 16 -1.940 -9.577 -1.186 156 QD2 ASN 16 QD2 ASN 16 -2.892 -11.260 1.350 157 H VAL 17 HN VAL 17 -3.160 -8.853 2.067 158 HA VAL 17 HA VAL 17 -0.658 -7.902 3.420 159 HB VAL 17 HB VAL 17 -3.318 -7.964 4.858 160 1HG1 VAL 17 2HG VAL 17 -1.181 -7.757 6.120 161 2HG1 VAL 17 3HG VAL 17 -0.802 -6.298 5.205 162 3HG1 VAL 17 1HG VAL 17 -2.185 -6.323 6.289 163 1HG2 VAL 17 1HG VAL 17 -2.229 -5.605 3.276 164 2HG2 VAL 17 2HG VAL 17 -3.678 -6.513 2.875 165 3HG2 VAL 17 3HG VAL 17 -3.624 -5.555 4.350 166 QG1 VAL 17 QG1 VAL 17 -1.390 -6.793 5.871 167 QG2 VAL 17 QG2 VAL 17 -3.177 -5.891 3.500 168 QQG VAL 17 QQG VAL 17 -2.283 -6.342 4.686 169 H GLU 18 HN GLU 18 0.300 -9.418 4.608 170 HA GLU 18 HA GLU 18 -1.037 -12.039 4.857 171 1HB GLU 18 2HB GLU 18 1.829 -11.143 5.355 172 2HB GLU 18 3HB GLU 18 1.261 -12.797 5.404 173 1HG GLU 18 2HG GLU 18 1.352 -10.955 2.995 174 2HG GLU 18 3HG GLU 18 2.190 -12.488 3.200 175 QB GLU 18 QB GLU 18 1.545 -11.970 5.379 176 QG GLU 18 QG GLU 18 1.771 -11.722 3.098 177 H ASP 19 HN ASP 19 0.915 -9.880 6.873 178 HA ASP 19 HA ASP 19 -0.804 -10.514 9.198 179 1HB ASP 19 2HB ASP 19 1.023 -11.073 10.649 180 2HB ASP 19 3HB ASP 19 1.291 -12.016 9.199 181 QB ASP 19 QB ASP 19 1.157 -11.545 9.923 182 H GLU 20 HN GLU 20 1.137 -9.084 10.896 183 HA GLU 20 HA GLU 20 0.169 -6.399 10.309 184 1HB GLU 20 2HB GLU 20 1.892 -7.634 12.492 185 2HB GLU 20 3HB GLU 20 1.483 -5.941 12.444 186 1HG GLU 20 2HG GLU 20 -0.950 -6.522 12.505 187 2HG GLU 20 3HG GLU 20 -0.519 -8.225 12.588 188 QB GLU 20 QB GLU 20 1.687 -6.787 12.468 189 QG GLU 20 QG GLU 20 -0.734 -7.374 12.547 190 H ASN 21 HN ASN 21 3.131 -8.223 9.984 191 HA ASN 21 HA ASN 21 5.099 -6.298 9.705 192 1HB ASN 21 2HB ASN 21 5.422 -8.762 9.362 193 2HB ASN 21 3HB ASN 21 4.689 -8.611 7.775 194 1HD2 ASN 21 2HD ASN 21 7.850 -6.268 7.354 195 2HD2 ASN 21 1HD ASN 21 6.354 -5.735 7.953 196 QB ASN 21 QB ASN 21 5.055 -8.687 8.568 197 QD2 ASN 21 QD2 ASN 21 7.102 -6.002 7.654 198 H ASP 22 HN ASP 22 3.191 -7.401 6.854 199 HA ASP 22 HA ASP 22 4.111 -5.397 5.078 200 1HB ASP 22 2HB ASP 22 2.608 -7.269 4.389 201 2HB ASP 22 3HB ASP 22 1.267 -6.485 5.221 202 QB ASP 22 QB ASP 22 1.938 -6.878 4.805 203 H ILE 23 HN ILE 23 1.310 -5.282 7.234 204 HA ILE 23 HA ILE 23 0.383 -2.714 6.639 205 HB ILE 23 HB ILE 23 0.491 -4.055 9.368 206 1HG1 ILE 23 2HG ILE 23 -1.596 -4.063 7.144 207 2HG1 ILE 23 3HG ILE 23 -0.541 -5.406 7.539 208 1HG2 ILE 23 1HG ILE 23 -0.037 -1.614 9.469 209 2HG2 ILE 23 2HG ILE 23 -1.323 -1.856 8.291 210 3HG2 ILE 23 3HG ILE 23 -1.437 -2.591 9.882 211 1HD1 ILE 23 1HD ILE 23 -1.554 -5.544 9.792 212 2HD1 ILE 23 2HD ILE 23 -2.635 -4.221 9.376 213 3HD1 ILE 23 3HD ILE 23 -2.750 -5.752 8.521 214 QG1 ILE 23 QG1 ILE 23 -1.068 -4.734 7.341 215 QG2 ILE 23 QG2 ILE 23 -0.932 -2.020 9.214 216 QD1 ILE 23 QD1 ILE 23 -2.313 -5.172 9.230 217 H SER 24 HN SER 24 3.056 -3.577 8.911 218 HA SER 24 HA SER 24 3.526 -0.822 9.639 219 1HB SER 24 2HB SER 24 6.036 -1.910 9.912 220 2HB SER 24 3HB SER 24 4.758 -2.090 11.123 221 HG SER 24 HG SER 24 5.489 -3.851 9.011 222 QB SER 24 QB SER 24 5.397 -2.000 10.518 223 H GLU 25 HN GLU 25 4.809 -2.884 7.057 224 HA GLU 25 HA GLU 25 6.711 -1.040 6.010 225 1HB GLU 25 2HB GLU 25 5.056 -2.892 4.274 226 2HB GLU 25 3HB GLU 25 6.725 -2.422 4.054 227 1HG GLU 25 2HG GLU 25 5.588 -4.404 5.996 228 2HG GLU 25 3HG GLU 25 6.903 -4.615 4.872 229 QB GLU 25 QB GLU 25 5.891 -2.657 4.164 230 QG GLU 25 QG GLU 25 6.246 -4.510 5.434 231 H LEU 26 HN LEU 26 3.274 -1.463 5.164 232 HA LEU 26 HA LEU 26 3.277 0.593 3.146 233 1HB LEU 26 2HB LEU 26 1.602 -1.114 3.006 234 2HB LEU 26 3HB LEU 26 1.136 -0.908 4.686 235 HG LEU 26 HG LEU 26 0.345 1.387 4.132 236 1HD1 LEU 26 3HD LEU 26 0.875 0.492 1.272 237 2HD1 LEU 26 1HD LEU 26 0.006 1.951 1.726 238 3HD1 LEU 26 2HD LEU 26 1.711 1.792 2.117 239 1HD2 LEU 26 2HD LEU 26 -0.907 -0.859 2.511 240 2HD2 LEU 26 3HD LEU 26 -1.238 -0.505 4.202 241 3HD2 LEU 26 1HD LEU 26 -1.720 0.639 2.954 242 QB LEU 26 QB LEU 26 1.369 -1.011 3.846 243 QD1 LEU 26 QD1 LEU 26 0.864 1.412 1.705 244 QD2 LEU 26 QD2 LEU 26 -1.288 -0.242 3.222 245 QQD LEU 26 QQD LEU 26 -0.212 0.586 2.464 246 H HIS 27 HN HIS 27 2.124 0.460 6.515 247 HA HIS 27 HA HIS 27 1.052 2.995 6.847 248 1HB HIS 27 2HB HIS 27 2.637 1.220 8.633 249 2HB HIS 27 3HB HIS 27 2.457 2.876 9.149 250 HD1 HIS 27 HD1 HIS 27 0.555 3.072 10.644 251 HD2 HIS 27 HD2 HIS 27 -0.286 0.253 7.770 252 HE1 HIS 27 HE1 HIS 27 -1.791 2.290 11.083 253 QB HIS 27 QB HIS 27 2.547 2.048 8.891 254 H GLU 28 HN GLU 28 4.506 2.205 7.128 255 HA GLU 28 HA GLU 28 5.718 4.639 7.525 256 1HB GLU 28 2HB GLU 28 7.106 2.733 7.135 257 2HB GLU 28 3HB GLU 28 6.362 2.411 5.590 258 1HG GLU 28 2HG GLU 28 8.525 3.288 5.100 259 2HG GLU 28 3HG GLU 28 7.404 4.572 4.722 260 QB GLU 28 QB GLU 28 6.734 2.572 6.363 261 QG GLU 28 QG GLU 28 7.964 3.930 4.912 262 H LEU 29 HN LEU 29 4.769 3.491 4.319 263 HA LEU 29 HA LEU 29 5.390 5.936 2.978 264 1HB LEU 29 2HB LEU 29 4.921 3.429 2.120 265 2HB LEU 29 3HB LEU 29 3.310 4.073 1.864 266 HG LEU 29 HG LEU 29 4.473 4.409 -0.186 267 1HD1 LEU 29 3HD LEU 29 4.601 7.005 1.386 268 2HD1 LEU 29 1HD LEU 29 4.647 6.894 -0.360 269 3HD1 LEU 29 2HD LEU 29 3.207 6.411 0.519 270 1HD2 LEU 29 3HD LEU 29 6.733 3.996 0.683 271 2HD2 LEU 29 1HD LEU 29 6.707 5.453 -0.301 272 3HD2 LEU 29 2HD LEU 29 6.751 5.573 1.452 273 QB LEU 29 QB LEU 29 4.116 3.751 1.992 274 QD1 LEU 29 QD1 LEU 29 4.151 6.770 0.515 275 QD2 LEU 29 QD2 LEU 29 6.730 5.007 0.611 276 QQD LEU 29 QQD LEU 29 5.441 5.889 0.563 277 H ALA 30 HN ALA 30 2.271 4.481 3.777 278 HA ALA 30 HA ALA 30 0.693 6.701 2.873 279 1HB ALA 30 3HB ALA 30 -0.241 4.445 3.202 280 2HB ALA 30 1HB ALA 30 0.024 4.587 4.938 281 3HB ALA 30 2HB ALA 30 -1.142 5.635 4.138 282 QB ALA 30 QB ALA 30 -0.453 4.889 4.093 283 H SER 31 HN SER 31 2.523 6.327 5.759 284 HA SER 31 HA SER 31 0.911 8.453 7.114 285 1HB SER 31 2HB SER 31 3.129 6.702 8.237 286 2HB SER 31 3HB SER 31 2.046 7.764 9.157 287 HG SER 31 HG SER 31 1.487 5.416 7.717 288 QB SER 31 QB SER 31 2.588 7.233 8.697 289 H THR 32 HN THR 32 3.079 8.709 4.946 290 HA THR 32 HA THR 32 4.292 11.101 6.196 291 HB THR 32 HB THR 32 5.988 8.860 5.006 292 HG1 THR 32 1HG THR 32 5.134 9.580 7.520 293 1HG2 THR 32 3HG THR 32 6.900 11.167 4.566 294 2HG2 THR 32 1HG THR 32 6.823 11.486 6.294 295 3HG2 THR 32 2HG THR 32 7.901 10.237 5.671 296 QG2 THR 32 QG2 THR 32 7.208 10.963 5.510 297 NH1 ARG 33 NH2 ARG 33 7.431 7.046 4.630 298 NH2 ARG 33 NH1 ARG 33 9.242 6.804 3.295 299 H ARG 33 HN ARG 33 4.588 9.002 3.371 300 HA ARG 33 HA ARG 33 4.486 11.426 1.621 301 1HB ARG 33 2HB ARG 33 5.442 8.604 0.994 302 2HB ARG 33 3HB ARG 33 5.596 9.995 -0.052 303 1HG ARG 33 2HG ARG 33 7.351 10.874 1.146 304 2HG ARG 33 3HG ARG 33 6.711 10.351 2.689 305 1HD ARG 33 2HD ARG 33 8.077 8.537 0.665 306 2HD ARG 33 3HD ARG 33 8.832 9.180 2.121 307 HE ARG 33 HE ARG 33 6.454 7.356 2.241 308 1HH1 ARG 33 2HH ARG 33 6.464 7.258 4.755 309 2HH1 ARG 33 1HH ARG 33 7.956 6.694 5.412 310 1HH2 ARG 33 2HH ARG 33 9.682 6.901 2.402 311 2HH2 ARG 33 1HH ARG 33 9.748 6.376 4.067 312 QB ARG 33 QB ARG 33 5.519 9.299 0.471 313 QG ARG 33 QG ARG 33 7.031 10.612 1.918 314 QD ARG 33 QD ARG 33 8.455 8.859 1.394 315 QH1 ARG 33 QH2 ARG 33 7.210 6.976 5.084 316 QH2 ARG 33 QH1 ARG 33 9.715 6.638 3.235 317 H GLN 34 HN GLN 34 2.258 11.281 2.400 318 HA GLN 34 HA GLN 34 0.254 9.545 2.135 319 1HB GLN 34 2HB GLN 34 -1.295 11.329 1.673 320 2HB GLN 34 3HB GLN 34 0.001 11.994 2.651 321 1HG GLN 34 2HG GLN 34 1.051 12.994 0.674 322 2HG GLN 34 3HG GLN 34 -0.116 12.216 -0.385 323 1HE2 GLN 34 2HE GLN 34 -1.968 14.939 2.024 324 2HE2 GLN 34 1HE GLN 34 -1.081 13.673 2.719 325 QB GLN 34 QB GLN 34 -0.646 11.662 2.162 326 QG GLN 34 QG GLN 34 0.467 12.605 0.144 327 QE2 GLN 34 QE2 GLN 34 -1.524 14.305 2.371 328 H ILE 35 HN ILE 35 -1.048 8.598 0.783 329 HA ILE 35 HA ILE 35 -0.647 8.863 -2.153 330 HB ILE 35 HB ILE 35 -1.311 6.149 -1.059 331 1HG1 ILE 35 2HG ILE 35 1.565 7.163 -1.061 332 2HG1 ILE 35 3HG ILE 35 0.612 6.909 0.393 333 1HG2 ILE 35 2HG ILE 35 -1.169 6.641 -3.485 334 2HG2 ILE 35 3HG ILE 35 0.505 7.136 -3.290 335 3HG2 ILE 35 1HG ILE 35 0.039 5.462 -3.016 336 1HD1 ILE 35 2HD ILE 35 0.293 4.511 -0.263 337 2HD1 ILE 35 3HD ILE 35 1.351 4.773 -1.645 338 3HD1 ILE 35 1HD ILE 35 1.981 4.920 -0.015 339 QG1 ILE 35 QG1 ILE 35 1.089 7.036 -0.334 340 QG2 ILE 35 QG2 ILE 35 -0.207 6.413 -3.263 341 QD1 ILE 35 QD1 ILE 35 1.208 4.735 -0.641 342 H ASP 36 HN ASP 36 -2.691 7.332 -3.038 343 HA ASP 36 HA ASP 36 -5.048 8.434 -1.573 344 1HB ASP 36 2HB ASP 36 -5.297 9.255 -3.733 345 2HB ASP 36 3HB ASP 36 -4.466 7.892 -4.467 346 QB ASP 36 QB ASP 36 -4.881 8.574 -4.100 347 H PHE 37 HN PHE 37 -7.043 6.939 -1.822 348 HA PHE 37 HA PHE 37 -6.358 4.076 -1.783 349 1HB PHE 37 2HB PHE 37 -7.327 5.580 0.652 350 2HB PHE 37 3HB PHE 37 -7.525 3.836 0.503 351 HD1 PHE 37 2HD PHE 37 -5.323 2.519 -0.173 352 HD2 PHE 37 1HD PHE 37 -5.296 6.403 1.578 353 HE1 PHE 37 2HE PHE 37 -2.964 2.223 0.438 354 HE2 PHE 37 1HE PHE 37 -2.937 6.094 2.212 355 HZ PHE 37 HZ PHE 37 -1.770 4.012 1.634 356 QB PHE 37 QB PHE 37 -7.426 4.708 0.578 357 QR PHE 37 QR PHE 37 -4.130 4.309 1.014 358 CH2 TRP 38 CH2 TRP 38 -12.791 2.169 -8.911 359 H TRP 38 HN TRP 38 -8.111 2.766 -2.386 360 HA TRP 38 HA TRP 38 -10.694 4.247 -2.768 361 1HB TRP 38 2HB TRP 38 -9.356 3.567 -4.827 362 2HB TRP 38 3HB TRP 38 -9.712 1.914 -4.421 363 HD1 TRP 38 HD1 TRP 38 -12.749 3.879 -3.645 364 HE1 TRP 38 HE1 TRP 38 -14.442 3.746 -5.479 365 HE3 TRP 38 HE3 TRP 38 -9.837 1.930 -7.232 366 HZ2 TRP 38 HZ2 TRP 38 -14.620 2.933 -8.109 367 HZ3 TRP 38 HZ3 TRP 38 -10.846 1.472 -9.458 368 HH2 TRP 38 HH2 TRP 38 -13.214 1.966 -9.886 369 QB TRP 38 QB TRP 38 -9.534 2.741 -4.623 370 H LYS 39 HN LYS 39 -9.450 0.909 -2.423 371 HA LYS 39 HA LYS 39 -11.842 0.336 -0.703 372 1HB LYS 39 2HB LYS 39 -10.559 -1.678 -2.578 373 2HB LYS 39 3HB LYS 39 -12.038 -1.879 -1.671 374 1HG LYS 39 2HG LYS 39 -13.285 -0.508 -3.066 375 2HG LYS 39 3HG LYS 39 -11.894 0.441 -3.560 376 1HD LYS 39 2HD LYS 39 -11.206 -2.031 -4.550 377 2HD LYS 39 3HD LYS 39 -12.959 -2.088 -4.693 378 1HE LYS 39 2HE LYS 39 -13.040 -0.325 -6.206 379 2HE LYS 39 3HE LYS 39 -11.584 0.423 -5.567 380 1HZ LYS 39 3HZ LYS 39 -10.851 -2.063 -6.630 381 2HZ LYS 39 1HZ LYS 39 -11.795 -1.247 -7.792 382 3HZ LYS 39 2HZ LYS 39 -10.400 -0.517 -7.140 383 QB LYS 39 QB LYS 39 -11.299 -1.779 -2.124 384 QG LYS 39 QG LYS 39 -12.590 -0.033 -3.313 385 QD LYS 39 QD LYS 39 -12.083 -2.060 -4.621 386 QE LYS 39 QE LYS 39 -12.312 0.049 -5.887 387 QZ LYS 39 QZ LYS 39 -11.016 -1.275 -7.187 388 HA PRO 40 HA PRO 40 -12.376 -1.780 0.297 389 1HB PRO 40 2HB PRO 40 -12.354 -2.109 3.166 390 2HB PRO 40 3HB PRO 40 -12.368 -3.369 1.931 391 1HG PRO 40 2HG PRO 40 -10.213 -2.796 3.655 392 2HG PRO 40 3HG PRO 40 -10.122 -3.786 2.191 393 1HD PRO 40 2HD PRO 40 -9.249 -0.958 2.612 394 2HD PRO 40 3HD PRO 40 -8.652 -2.159 1.451 395 QB PRO 40 QB PRO 40 -12.362 -2.739 2.549 396 QG PRO 40 QG PRO 40 -10.168 -3.291 2.923 397 QD PRO 40 QD PRO 40 -8.950 -1.559 2.032 398 H ASP 41 HN ASP 41 -11.389 -0.120 3.267 399 HA ASP 41 HA ASP 41 -13.357 2.052 2.633 400 1HB ASP 41 2HB ASP 41 -14.404 0.872 4.396 401 2HB ASP 41 3HB ASP 41 -12.877 0.502 5.180 402 QB ASP 41 QB ASP 41 -13.641 0.688 4.788 403 H SER 42 HN SER 42 -10.945 1.442 5.116 404 HA SER 42 HA SER 42 -9.379 3.799 4.178 405 1HB SER 42 2HB SER 42 -9.067 4.437 6.586 406 2HB SER 42 3HB SER 42 -10.792 4.419 6.168 407 HG SER 42 HG SER 42 -11.072 2.542 7.151 408 QB SER 42 QB SER 42 -9.929 4.427 6.377 409 H VAL 43 HN VAL 43 -7.336 3.699 5.906 410 HA VAL 43 HA VAL 43 -6.177 0.977 5.462 411 HB VAL 43 HB VAL 43 -5.097 2.936 4.271 412 1HG1 VAL 43 3HG VAL 43 -5.511 4.639 6.036 413 2HG1 VAL 43 1HG VAL 43 -4.353 3.821 7.083 414 3HG1 VAL 43 2HG VAL 43 -3.815 4.565 5.580 415 1HG2 VAL 43 1HG VAL 43 -3.773 0.919 4.811 416 2HG2 VAL 43 2HG VAL 43 -2.781 2.369 4.909 417 3HG2 VAL 43 3HG VAL 43 -3.363 1.599 6.380 418 QG1 VAL 43 QG1 VAL 43 -4.560 4.342 6.233 419 QG2 VAL 43 QG2 VAL 43 -3.306 1.629 5.367 420 QQG VAL 43 QQG VAL 43 -3.932 2.986 5.800 421 H THR 44 HN THR 44 -7.944 1.940 7.546 422 HA THR 44 HA THR 44 -6.220 1.567 9.961 423 HB THR 44 HB THR 44 -8.801 2.601 10.697 424 HG1 THR 44 1HG THR 44 -9.063 3.414 8.639 425 1HG2 THR 44 1HG THR 44 -6.559 3.121 11.803 426 2HG2 THR 44 2HG THR 44 -6.147 4.078 10.383 427 3HG2 THR 44 3HG THR 44 -7.489 4.564 11.412 428 QG2 THR 44 QG2 THR 44 -6.732 3.921 11.199 429 H GLN 45 HN GLN 45 -9.449 0.814 8.605 430 HA GLN 45 HA GLN 45 -9.755 -1.314 10.644 431 1HB GLN 45 2HB GLN 45 -11.990 -1.675 9.580 432 2HB GLN 45 3HB GLN 45 -11.757 -0.023 10.127 433 1HG GLN 45 2HG GLN 45 -11.666 0.820 7.959 434 2HG GLN 45 3HG GLN 45 -10.994 -0.666 7.290 435 1HE2 GLN 45 2HE GLN 45 -14.923 -0.126 7.034 436 2HE2 GLN 45 1HE GLN 45 -13.804 1.126 7.307 437 QB GLN 45 QB GLN 45 -11.873 -0.848 9.854 438 QG GLN 45 QG GLN 45 -11.330 0.077 7.624 439 QE2 GLN 45 QE2 GLN 45 -14.363 0.500 7.171 440 H ILE 46 HN ILE 46 -7.609 -1.859 9.263 441 HA ILE 46 HA ILE 46 -8.391 -4.049 7.377 442 HB ILE 46 HB ILE 46 -5.932 -2.256 7.389 443 1HG1 ILE 46 2HG ILE 46 -8.283 -2.663 5.509 444 2HG1 ILE 46 3HG ILE 46 -7.840 -1.199 6.372 445 1HG2 ILE 46 2HG ILE 46 -6.507 -4.662 5.618 446 2HG2 ILE 46 3HG ILE 46 -5.148 -3.559 5.435 447 3HG2 ILE 46 1HG ILE 46 -5.256 -4.583 6.853 448 1HD1 ILE 46 2HD ILE 46 -5.722 -1.094 5.052 449 2HD1 ILE 46 3HD ILE 46 -6.258 -2.495 4.133 450 3HD1 ILE 46 1HD ILE 46 -7.161 -0.990 4.041 451 QG1 ILE 46 QG1 ILE 46 -8.061 -1.931 5.940 452 QG2 ILE 46 QG2 ILE 46 -5.637 -4.268 5.968 453 QD1 ILE 46 QD1 ILE 46 -6.381 -1.526 4.408 454 H LYS 47 HN LYS 47 -6.951 -5.939 7.477 455 HA LYS 47 HA LYS 47 -5.451 -6.185 10.038 456 1HB LYS 47 2HB LYS 47 -6.601 -8.434 10.381 457 2HB LYS 47 3HB LYS 47 -7.650 -7.038 10.585 458 1HG LYS 47 2HG LYS 47 -8.262 -7.367 8.087 459 2HG LYS 47 3HG LYS 47 -7.489 -8.937 8.233 460 1HD LYS 47 2HD LYS 47 -8.997 -9.384 10.229 461 2HD LYS 47 3HD LYS 47 -9.866 -7.912 9.799 462 1HE LYS 47 2HE LYS 47 -10.141 -8.894 7.458 463 2HE LYS 47 3HE LYS 47 -9.517 -10.408 8.106 464 1HZ LYS 47 2HZ LYS 47 -11.540 -9.474 9.816 465 2HZ LYS 47 3HZ LYS 47 -12.133 -9.430 8.229 466 3HZ LYS 47 1HZ LYS 47 -11.528 -10.884 8.871 467 QB LYS 47 QB LYS 47 -7.126 -7.736 10.482 468 QG LYS 47 QG LYS 47 -7.875 -8.152 8.160 469 QD LYS 47 QD LYS 47 -9.432 -8.648 10.014 470 QE LYS 47 QE LYS 47 -9.829 -9.652 7.782 471 QZ LYS 47 QZ LYS 47 -11.733 -9.930 8.971 472 HA PRO 48 HA PRO 48 -2.712 -9.365 8.052 473 1HB PRO 48 2HB PRO 48 -4.474 -11.126 9.740 474 2HB PRO 48 3HB PRO 48 -2.726 -11.199 9.509 475 1HG PRO 48 2HG PRO 48 -3.912 -10.057 11.733 476 2HG PRO 48 3HG PRO 48 -2.324 -9.568 11.136 477 1HD PRO 48 2HD PRO 48 -4.824 -8.046 11.106 478 2HD PRO 48 3HD PRO 48 -3.200 -7.482 10.694 479 QB PRO 48 QB PRO 48 -3.600 -11.162 9.624 480 QG PRO 48 QG PRO 48 -3.117 -9.813 11.434 481 QD PRO 48 QD PRO 48 -4.012 -7.763 10.901 482 H HIS 49 HN HIS 49 -3.064 -11.172 6.640 483 HA HIS 49 HA HIS 49 -4.089 -11.846 4.602 484 1HB HIS 49 2HB HIS 49 -6.414 -12.838 6.076 485 2HB HIS 49 3HB HIS 49 -5.231 -13.703 5.144 486 HD1 HIS 49 HD1 HIS 49 -2.737 -13.230 6.725 487 HD2 HIS 49 HD2 HIS 49 -6.312 -14.024 8.609 488 HE1 HIS 49 HE1 HIS 49 -2.162 -14.157 8.989 489 QB HIS 49 QB HIS 49 -5.823 -13.270 5.610 490 H SER 50 HN SER 50 -4.534 -9.348 4.413 491 HA SER 50 HA SER 50 -7.436 -8.996 3.775 492 1HB SER 50 2HB SER 50 -5.550 -6.929 4.984 493 2HB SER 50 3HB SER 50 -7.163 -6.557 4.364 494 HG SER 50 HG SER 50 -6.428 -8.279 6.510 495 QB SER 50 QB SER 50 -6.357 -6.744 4.674 496 H THR 51 HN THR 51 -7.565 -6.935 2.220 497 HA THR 51 HA THR 51 -5.233 -6.845 0.395 498 HB THR 51 HB THR 51 -8.010 -7.309 -0.760 499 HG1 THR 51 1HG THR 51 -6.185 -9.413 -0.335 500 1HG2 THR 51 2HG THR 51 -5.207 -8.172 -1.645 501 2HG2 THR 51 3HG THR 51 -6.691 -8.367 -2.568 502 3HG2 THR 51 1HG THR 51 -6.039 -6.759 -2.281 503 QG2 THR 51 QG2 THR 51 -5.979 -7.766 -2.165 504 H VAL 52 HN VAL 52 -5.212 -4.879 -0.902 505 HA VAL 52 HA VAL 52 -7.370 -2.927 -0.178 506 HB VAL 52 HB VAL 52 -4.378 -2.402 -0.137 507 1HG1 VAL 52 1HG VAL 52 -6.695 -0.525 0.454 508 2HG1 VAL 52 2HG VAL 52 -4.990 -0.150 0.676 509 3HG1 VAL 52 3HG VAL 52 -5.626 -0.421 -0.942 510 1HG2 VAL 52 3HG VAL 52 -6.456 -2.488 2.061 511 2HG2 VAL 52 1HG VAL 52 -5.164 -3.656 1.815 512 3HG2 VAL 52 2HG VAL 52 -4.774 -2.008 2.284 513 QG1 VAL 52 QG1 VAL 52 -5.770 -0.365 0.063 514 QG2 VAL 52 QG2 VAL 52 -5.465 -2.717 2.053 515 QQG VAL 52 QQG VAL 52 -5.618 -1.541 1.058 516 H ASP 53 HN ASP 53 -7.685 -1.245 -1.679 517 HA ASP 53 HA ASP 53 -6.576 -1.733 -4.424 518 1HB ASP 53 2HB ASP 53 -9.005 -2.506 -3.975 519 2HB ASP 53 3HB ASP 53 -9.387 -0.794 -3.808 520 QB ASP 53 QB ASP 53 -9.197 -1.650 -3.891 521 H PHE 54 HN PHE 54 -5.265 0.064 -4.726 522 HA PHE 54 HA PHE 54 -6.599 2.688 -4.497 523 1HB PHE 54 2HB PHE 54 -4.940 3.685 -3.076 524 2HB PHE 54 3HB PHE 54 -5.574 2.267 -2.265 525 HD1 PHE 54 2HD PHE 54 -4.150 0.017 -2.774 526 HD2 PHE 54 1HD PHE 54 -2.653 3.997 -3.070 527 HE1 PHE 54 2HE PHE 54 -1.868 -0.812 -2.401 528 HE2 PHE 54 1HE PHE 54 -0.379 3.168 -2.696 529 HZ PHE 54 HZ PHE 54 0.027 0.759 -2.350 530 QB PHE 54 QB PHE 54 -5.257 2.977 -2.671 531 QR PHE 54 QR PHE 54 -2.262 1.593 -2.735 532 NH1 ARG 55 NH2 ARG 55 -8.217 7.497 -8.841 533 NH2 ARG 55 NH1 ARG 55 -7.269 6.366 -10.589 534 H ARG 55 HN ARG 55 -4.924 4.495 -5.037 535 HA ARG 55 HA ARG 55 -3.307 3.554 -7.380 536 1HB ARG 55 2HB ARG 55 -4.106 5.313 -8.694 537 2HB ARG 55 3HB ARG 55 -5.540 4.936 -7.749 538 1HG ARG 55 2HG ARG 55 -4.469 6.698 -6.062 539 2HG ARG 55 3HG ARG 55 -3.670 7.268 -7.519 540 1HD ARG 55 2HD ARG 55 -6.641 7.039 -7.013 541 2HD ARG 55 3HD ARG 55 -5.712 8.513 -7.301 542 HE ARG 55 HE ARG 55 -5.237 7.395 -9.650 543 1HH1 ARG 55 2HH ARG 55 -8.080 8.036 -8.009 544 2HH1 ARG 55 1HH ARG 55 -9.139 7.314 -9.166 545 1HH2 ARG 55 2HH ARG 55 -6.424 6.064 -11.045 546 2HH2 ARG 55 1HH ARG 55 -8.151 6.146 -10.992 547 QB ARG 55 QB ARG 55 -4.823 5.125 -8.221 548 QG ARG 55 QG ARG 55 -4.070 6.983 -6.790 549 QD ARG 55 QD ARG 55 -6.177 7.776 -7.157 550 QH1 ARG 55 QH2 ARG 55 -8.609 7.675 -8.588 551 QH2 ARG 55 QH1 ARG 55 -7.287 6.105 -11.018 552 H VAL 56 HN VAL 56 -1.513 5.132 -7.892 553 HA VAL 56 HA VAL 56 -0.563 6.388 -5.346 554 HB VAL 56 HB VAL 56 1.100 4.992 -7.453 555 1HG1 VAL 56 3HG VAL 56 1.798 5.973 -4.662 556 2HG1 VAL 56 1HG VAL 56 2.853 5.074 -5.738 557 3HG1 VAL 56 2HG VAL 56 2.374 6.701 -6.155 558 1HG2 VAL 56 1HG VAL 56 0.122 4.089 -4.720 559 2HG2 VAL 56 2HG VAL 56 -0.356 3.408 -6.271 560 3HG2 VAL 56 3HG VAL 56 1.296 3.221 -5.697 561 QG1 VAL 56 QG1 VAL 56 2.341 5.916 -5.518 562 QG2 VAL 56 QG2 VAL 56 0.354 3.572 -5.563 563 QQG VAL 56 QQG VAL 56 1.348 4.745 -5.541 564 H LYS 57 HN LYS 57 -1.984 7.983 -6.972 565 HA LYS 57 HA LYS 57 -1.905 9.890 -8.356 566 1HB LYS 57 2HB LYS 57 0.684 10.236 -6.789 567 2HB LYS 57 3HB LYS 57 -0.327 11.490 -7.477 568 1HG LYS 57 2HG LYS 57 -1.989 11.302 -5.874 569 2HG LYS 57 3HG LYS 57 -1.592 9.633 -5.515 570 1HD LYS 57 2HD LYS 57 -0.938 11.257 -3.691 571 2HD LYS 57 3HD LYS 57 0.369 10.245 -4.275 572 1HE LYS 57 2HE LYS 57 1.070 12.613 -3.988 573 2HE LYS 57 3HE LYS 57 1.248 12.069 -5.649 574 1HZ LYS 57 3HZ LYS 57 -1.333 13.167 -5.264 575 2HZ LYS 57 1HZ LYS 57 -0.146 14.274 -4.740 576 3HZ LYS 57 2HZ LYS 57 -0.079 13.669 -6.325 577 QB LYS 57 QB LYS 57 0.178 10.863 -7.134 578 QG LYS 57 QG LYS 57 -1.790 10.468 -5.694 579 QD LYS 57 QD LYS 57 -0.284 10.751 -3.983 580 QE LYS 57 QE LYS 57 1.158 12.341 -4.819 581 QZ LYS 57 QZ LYS 57 -0.519 13.703 -5.443 582 H ALA 58 HN ALA 58 0.684 11.226 -9.056 583 HA ALA 58 HA ALA 58 1.895 9.238 -10.901 584 1HB ALA 58 1HB ALA 58 0.742 11.898 -11.836 585 2HB ALA 58 2HB ALA 58 1.700 10.801 -12.829 586 3HB ALA 58 3HB ALA 58 0.123 10.298 -12.239 587 QB ALA 58 QB ALA 58 0.855 10.999 -12.302 588 H GLU 59 HN GLU 59 2.013 12.607 -9.755 589 HA GLU 59 HA GLU 59 4.224 13.814 -10.371 590 1HB GLU 59 2HB GLU 59 3.695 12.964 -7.506 591 2HB GLU 59 3HB GLU 59 4.871 14.193 -7.952 592 1HG GLU 59 2HG GLU 59 3.185 15.714 -7.933 593 2HG GLU 59 3HG GLU 59 2.495 14.899 -9.330 594 QB GLU 59 QB GLU 59 4.283 13.578 -7.729 595 QG GLU 59 QG GLU 59 2.841 15.306 -8.632 596 H ASP 60 HN ASP 60 4.913 11.386 -7.902 597 HA ASP 60 HA ASP 60 7.276 10.474 -9.466 598 1HB ASP 60 2HB ASP 60 7.213 11.681 -6.728 599 2HB ASP 60 3HB ASP 60 8.311 10.332 -6.987 600 QB ASP 60 QB ASP 60 7.762 11.007 -6.857 601 H ILE 61 HN ILE 61 5.145 9.008 -9.677 602 HA ILE 61 HA ILE 61 4.349 7.241 -7.655 603 HB ILE 61 HB ILE 61 4.898 6.170 -10.437 604 1HG1 ILE 61 2HG ILE 61 2.556 7.868 -9.619 605 2HG1 ILE 61 3HG ILE 61 3.845 8.348 -10.722 606 1HG2 ILE 61 2HG ILE 61 4.048 4.653 -8.639 607 2HG2 ILE 61 3HG ILE 61 2.677 5.729 -8.420 608 3HG2 ILE 61 1HG ILE 61 2.881 4.856 -9.927 609 1HD1 ILE 61 3HD ILE 61 3.274 6.418 -12.201 610 2HD1 ILE 61 1HD ILE 61 1.893 6.080 -11.160 611 3HD1 ILE 61 2HD ILE 61 1.975 7.587 -12.055 612 QG1 ILE 61 QG1 ILE 61 3.201 8.108 -10.171 613 QG2 ILE 61 QG2 ILE 61 3.201 5.079 -8.995 614 QD1 ILE 61 QD1 ILE 61 2.381 6.695 -11.805 615 H LEU 62 HN LEU 62 7.012 6.767 -9.914 616 HA LEU 62 HA LEU 62 8.124 4.412 -9.424 617 1HB LEU 62 2HB LEU 62 9.325 6.120 -10.699 618 2HB LEU 62 3HB LEU 62 9.699 6.995 -9.223 619 HG LEU 62 HG LEU 62 10.972 5.007 -8.388 620 1HD1 LEU 62 3HD LEU 62 10.409 3.889 -11.162 621 2HD1 LEU 62 1HD LEU 62 11.520 3.193 -9.985 622 3HD1 LEU 62 2HD LEU 62 9.800 3.238 -9.642 623 1HD2 LEU 62 3HD LEU 62 12.128 6.819 -9.589 624 2HD2 LEU 62 1HD LEU 62 12.888 5.268 -9.916 625 3HD2 LEU 62 2HD LEU 62 11.839 6.004 -11.123 626 QB LEU 62 QB LEU 62 9.512 6.559 -9.961 627 QD1 LEU 62 QD1 LEU 62 10.576 3.440 -10.263 628 QD2 LEU 62 QD2 LEU 62 12.285 6.030 -10.209 629 QQD LEU 62 QQD LEU 62 11.430 4.735 -10.236 630 H ALA 63 HN ALA 63 9.207 6.982 -7.210 631 HA ALA 63 HA ALA 63 10.477 5.448 -5.332 632 1HB ALA 63 3HB ALA 63 8.586 7.770 -4.772 633 2HB ALA 63 1HB ALA 63 9.775 7.157 -3.624 634 3HB ALA 63 2HB ALA 63 10.306 7.895 -5.131 635 QB ALA 63 QB ALA 63 9.556 7.608 -4.509 636 H VAL 64 HN VAL 64 6.995 5.801 -5.551 637 HA VAL 64 HA VAL 64 6.534 4.230 -3.134 638 HB VAL 64 HB VAL 64 4.686 5.003 -5.404 639 1HG1 VAL 64 1HG VAL 64 4.107 3.860 -2.636 640 2HG1 VAL 64 2HG VAL 64 2.880 4.406 -3.765 641 3HG1 VAL 64 3HG VAL 64 3.877 3.015 -4.164 642 1HG2 VAL 64 1HG VAL 64 5.619 6.927 -4.140 643 2HG2 VAL 64 2HG VAL 64 3.902 6.740 -3.803 644 3HG2 VAL 64 3HG VAL 64 5.094 6.190 -2.630 645 QG1 VAL 64 QG1 VAL 64 3.621 3.760 -3.522 646 QG2 VAL 64 QG2 VAL 64 4.872 6.619 -3.524 647 QQG VAL 64 QQG VAL 64 4.247 5.189 -3.523 648 H GLU 65 HN GLU 65 6.502 3.639 -6.646 649 HA GLU 65 HA GLU 65 5.619 0.892 -6.535 650 1HB GLU 65 2HB GLU 65 7.577 2.069 -8.561 651 2HB GLU 65 3HB GLU 65 6.515 0.683 -8.798 652 1HG GLU 65 2HG GLU 65 4.551 2.270 -8.407 653 2HG GLU 65 3HG GLU 65 5.709 3.587 -8.459 654 QB GLU 65 QB GLU 65 7.046 1.376 -8.679 655 QG GLU 65 QG GLU 65 5.129 2.929 -8.433 656 H ASP 66 HN ASP 66 8.788 2.413 -6.621 657 HA ASP 66 HA ASP 66 10.445 0.183 -6.368 658 1HB ASP 66 2HB ASP 66 10.514 3.112 -5.939 659 2HB ASP 66 3HB ASP 66 11.620 2.238 -4.918 660 QB ASP 66 QB ASP 66 11.067 2.674 -5.429 661 H PHE 67 HN PHE 67 9.017 2.332 -3.923 662 HA PHE 67 HA PHE 67 9.870 1.064 -1.587 663 1HB PHE 67 2HB PHE 67 8.394 3.117 -1.723 664 2HB PHE 67 3HB PHE 67 7.031 2.049 -2.012 665 HD1 PHE 67 2HD PHE 67 9.529 3.098 0.494 666 HD2 PHE 67 1HD PHE 67 6.182 0.566 -0.257 667 HE1 PHE 67 2HE PHE 67 9.307 2.656 2.906 668 HE2 PHE 67 1HE PHE 67 5.942 0.167 2.153 669 HZ PHE 67 HZ PHE 67 7.516 1.181 3.728 670 QB PHE 67 QB PHE 67 7.713 2.582 -1.868 671 QR PHE 67 QR PHE 67 7.740 1.621 1.324 672 H LEU 68 HN LEU 68 7.215 0.154 -3.741 673 HA LEU 68 HA LEU 68 6.299 -2.071 -2.124 674 1HB LEU 68 2HB LEU 68 6.106 -1.756 -5.164 675 2HB LEU 68 3HB LEU 68 5.219 -2.925 -4.211 676 HG LEU 68 HG LEU 68 4.968 0.084 -3.876 677 1HD1 LEU 68 1HD LEU 68 3.136 -1.894 -5.285 678 2HD1 LEU 68 2HD LEU 68 2.776 -0.193 -5.008 679 3HD1 LEU 68 3HD LEU 68 4.100 -0.648 -6.072 680 1HD2 LEU 68 2HD LEU 68 3.344 -2.235 -2.774 681 2HD2 LEU 68 3HD LEU 68 4.400 -1.177 -1.846 682 3HD2 LEU 68 1HD LEU 68 2.941 -0.533 -2.576 683 QB LEU 68 QB LEU 68 5.663 -2.341 -4.687 684 QD1 LEU 68 QD1 LEU 68 3.337 -0.912 -5.455 685 QD2 LEU 68 QD2 LEU 68 3.562 -1.314 -2.399 686 QQD LEU 68 QQD LEU 68 3.449 -1.113 -3.927 687 H GLU 69 HN GLU 69 7.919 -2.281 -5.259 688 HA GLU 69 HA GLU 69 8.888 -4.842 -5.281 689 1HB GLU 69 2HB GLU 69 9.988 -2.228 -6.260 690 2HB GLU 69 3HB GLU 69 11.020 -3.639 -6.394 691 1HG GLU 69 2HG GLU 69 9.520 -3.127 -8.420 692 2HG GLU 69 3HG GLU 69 9.436 -4.775 -7.807 693 QB GLU 69 QB GLU 69 10.505 -2.934 -6.326 694 QG GLU 69 QG GLU 69 9.478 -3.952 -8.114 695 H GLN 70 HN GLN 70 10.781 -2.173 -3.997 696 HA GLN 70 HA GLN 70 12.991 -3.471 -2.971 697 1HB GLN 70 2HB GLN 70 11.662 -0.959 -2.400 698 2HB GLN 70 3HB GLN 70 12.174 -1.677 -0.895 699 1HG GLN 70 2HG GLN 70 14.061 -0.437 -1.529 700 2HG GLN 70 3HG GLN 70 14.467 -2.051 -2.083 701 1HE2 GLN 70 2HE GLN 70 13.096 -0.229 -5.380 702 2HE2 GLN 70 1HE GLN 70 12.089 -0.898 -4.184 703 QB GLN 70 QB GLN 70 11.918 -1.318 -1.648 704 QG GLN 70 QG GLN 70 14.263 -1.244 -1.806 705 QE2 GLN 70 QE2 GLN 70 12.593 -0.563 -4.781 706 H ASN 71 HN ASN 71 9.821 -3.212 -1.396 707 HA ASN 71 HA ASN 71 10.729 -5.270 0.579 708 1HB ASN 71 2HB ASN 71 8.438 -3.291 0.807 709 2HB ASN 71 3HB ASN 71 9.080 -4.314 2.066 710 1HD2 ASN 71 2HD ASN 71 10.725 -0.755 1.470 711 2HD2 ASN 71 1HD ASN 71 9.274 -1.221 0.737 712 QB ASN 71 QB ASN 71 8.759 -3.803 1.437 713 QD2 ASN 71 QD2 ASN 71 9.999 -0.987 1.103 714 H GLU 72 HN GLU 72 9.695 -5.779 -2.096 715 HA GLU 72 HA GLU 72 7.663 -6.585 -3.167 716 1HB GLU 72 2HB GLU 72 8.963 -8.668 -1.416 717 2HB GLU 72 3HB GLU 72 7.665 -9.073 -2.518 718 1HG GLU 72 2HG GLU 72 9.081 -7.961 -4.366 719 2HG GLU 72 3HG GLU 72 10.409 -7.977 -3.210 720 QB GLU 72 QB GLU 72 8.314 -8.871 -1.967 721 QG GLU 72 QG GLU 72 9.745 -7.969 -3.788 722 H LEU 73 HN LEU 73 6.223 -5.127 -1.768 723 HA LEU 73 HA LEU 73 4.784 -6.508 0.354 724 1HB LEU 73 2HB LEU 73 4.114 -3.882 -1.026 725 2HB LEU 73 3HB LEU 73 3.498 -4.436 0.503 726 HG LEU 73 HG LEU 73 6.421 -3.794 -0.040 727 1HD1 LEU 73 3HD LEU 73 4.954 -1.779 -0.011 728 2HD1 LEU 73 1HD LEU 73 4.321 -2.276 1.551 729 3HD1 LEU 73 2HD LEU 73 6.013 -1.823 1.391 730 1HD2 LEU 73 3HD LEU 73 4.996 -4.376 2.594 731 2HD2 LEU 73 1HD LEU 73 6.115 -5.468 1.785 732 3HD2 LEU 73 2HD LEU 73 6.692 -3.932 2.410 733 QB LEU 73 QB LEU 73 3.806 -4.159 -0.262 734 QD1 LEU 73 QD1 LEU 73 5.096 -1.959 0.977 735 QD2 LEU 73 QD2 LEU 73 5.935 -4.592 2.263 736 QQD LEU 73 QQD LEU 73 5.515 -3.276 1.620 737 H GLN 74 HN GLN 74 4.808 -7.632 -2.297 738 HA GLN 74 HA GLN 74 3.425 -8.550 -3.952 739 1HB GLN 74 2HB GLN 74 1.481 -8.648 -1.621 740 2HB GLN 74 3HB GLN 74 1.547 -9.754 -2.987 741 1HG GLN 74 2HG GLN 74 3.617 -9.442 -0.780 742 2HG GLN 74 3HG GLN 74 2.618 -10.850 -1.112 743 1HE2 GLN 74 2HE GLN 74 6.147 -10.639 -2.908 744 2HE2 GLN 74 1HE GLN 74 5.721 -9.766 -1.512 745 QB GLN 74 QB GLN 74 1.514 -9.201 -2.304 746 QG GLN 74 QG GLN 74 3.117 -10.145 -0.946 747 QE2 GLN 74 QE2 GLN 74 5.934 -10.203 -2.209 748 OH TYR 75 OH TYR 75 5.291 -5.204 -8.644 749 H TYR 75 HN TYR 75 1.140 -8.620 -4.886 750 HA TYR 75 HA TYR 75 -0.892 -6.823 -4.680 751 1HB TYR 75 2HB TYR 75 -0.375 -5.058 -6.444 752 2HB TYR 75 3HB TYR 75 0.456 -4.844 -4.921 753 HD1 TYR 75 HD2 TYR 75 1.040 -6.588 -8.220 754 HD2 TYR 75 HD1 TYR 75 2.718 -4.324 -5.029 755 HE1 TYR 75 HE2 TYR 75 3.152 -6.449 -9.427 756 HE2 TYR 75 HE1 TYR 75 4.833 -4.177 -6.259 757 HH TYR 75 HH TYR 75 5.910 -4.659 -8.131 758 QB TYR 75 QB TYR 75 0.041 -4.952 -5.682 759 QR TYR 75 QR TYR 75 2.936 -5.384 -7.234 760 H GLU 76 HN GLU 76 -2.343 -6.976 -6.294 761 HA GLU 76 HA GLU 76 -1.663 -8.823 -8.551 762 1HB GLU 76 2HB GLU 76 -4.186 -8.462 -6.933 763 2HB GLU 76 3HB GLU 76 -4.121 -9.437 -8.387 764 1HG GLU 76 2HG GLU 76 -2.826 -11.101 -7.365 765 2HG GLU 76 3HG GLU 76 -2.159 -9.994 -6.165 766 QB GLU 76 QB GLU 76 -4.154 -8.949 -7.660 767 QG GLU 76 QG GLU 76 -2.493 -10.547 -6.765 768 H VAL 77 HN VAL 77 -1.206 -7.090 -9.950 769 HA VAL 77 HA VAL 77 -3.251 -4.999 -10.374 770 HB VAL 77 HB VAL 77 -0.715 -5.447 -12.004 771 1HG1 VAL 77 3HG VAL 77 -2.317 -2.947 -11.315 772 2HG1 VAL 77 1HG VAL 77 -0.849 -2.987 -12.284 773 3HG1 VAL 77 2HG VAL 77 -2.310 -3.765 -12.877 774 1HG2 VAL 77 1HG VAL 77 -1.012 -3.912 -9.390 775 2HG2 VAL 77 2HG VAL 77 -0.107 -5.404 -9.594 776 3HG2 VAL 77 3HG VAL 77 0.431 -3.937 -10.396 777 QG1 VAL 77 QG1 VAL 77 -1.825 -3.233 -12.159 778 QG2 VAL 77 QG2 VAL 77 -0.229 -4.417 -9.793 779 QQG VAL 77 QQG VAL 77 -1.027 -3.826 -10.976 780 H LEU 78 HN LEU 78 -4.020 -4.596 -12.624 781 HA LEU 78 HA LEU 78 -4.356 -7.134 -14.191 782 1HB LEU 78 2HB LEU 78 -6.444 -4.986 -13.651 783 2HB LEU 78 3HB LEU 78 -6.685 -6.385 -14.687 784 HG LEU 78 HG LEU 78 -5.984 -6.547 -11.723 785 1HD1 LEU 78 2HD LEU 78 -8.646 -6.940 -13.149 786 2HD1 LEU 78 3HD LEU 78 -8.356 -7.222 -11.435 787 3HD1 LEU 78 1HD LEU 78 -8.243 -5.593 -12.090 788 1HD2 LEU 78 2HD LEU 78 -5.285 -8.524 -13.063 789 2HD2 LEU 78 3HD LEU 78 -6.612 -8.924 -11.982 790 3HD2 LEU 78 1HD LEU 78 -6.923 -8.668 -13.695 791 QB LEU 78 QB LEU 78 -6.565 -5.685 -14.169 792 QD1 LEU 78 QD1 LEU 78 -8.415 -6.585 -12.225 793 QD2 LEU 78 QD2 LEU 78 -6.273 -8.706 -12.914 794 QQD LEU 78 QQD LEU 78 -7.344 -7.645 -12.569 795 H ILE 79 HN ILE 79 -2.384 -5.909 -15.148 796 HA ILE 79 HA ILE 79 -3.132 -3.678 -16.928 797 HB ILE 79 HB ILE 79 -0.473 -5.144 -16.807 798 1HG1 ILE 79 2HG ILE 79 -1.085 -4.364 -14.532 799 2HG1 ILE 79 3HG ILE 79 0.281 -3.478 -15.174 800 1HG2 ILE 79 1HG ILE 79 -1.248 -2.340 -17.697 801 2HG2 ILE 79 2HG ILE 79 0.398 -2.961 -17.630 802 3HG2 ILE 79 3HG ILE 79 -0.767 -3.670 -18.741 803 1HD1 ILE 79 3HD ILE 79 -1.233 -1.608 -15.815 804 2HD1 ILE 79 1HD ILE 79 -2.601 -2.497 -15.159 805 3HD1 ILE 79 2HD ILE 79 -1.320 -1.935 -14.094 806 QG1 ILE 79 QG1 ILE 79 -0.402 -3.922 -14.853 807 QG2 ILE 79 QG2 ILE 79 -0.539 -2.990 -18.022 808 QD1 ILE 79 QD1 ILE 79 -1.718 -2.014 -15.023 809 H ASN 80 HN ASN 80 -4.739 -5.172 -18.011 810 HA ASN 80 HA ASN 80 -3.446 -6.558 -20.273 811 1HB ASN 80 2HB ASN 80 -5.766 -7.499 -18.548 812 2HB ASN 80 3HB ASN 80 -5.494 -8.131 -20.166 813 1HD2 ASN 80 2HD ASN 80 -2.930 -10.288 -19.121 814 2HD2 ASN 80 1HD ASN 80 -4.005 -9.820 -20.350 815 QB ASN 80 QB ASN 80 -5.630 -7.815 -19.357 816 QD2 ASN 80 QD2 ASN 80 -3.467 -10.054 -19.736 817 H ASN 81 HN ASN 81 -5.425 -7.034 -21.753 818 HA ASN 81 HA ASN 81 -7.147 -4.651 -22.047 819 1HB ASN 81 2HB ASN 81 -6.628 -4.580 -24.500 820 2HB ASN 81 3HB ASN 81 -5.246 -4.170 -23.495 821 1HD2 ASN 81 ASN 81 -5.199 -7.816 -25.395 822 2HD2 ASN 81 1HD ASN 81 -6.678 -7.226 -24.796 823 QB ASN 81 QB ASN 81 -5.937 -4.376 -23.997 824 QD2 ASN 81 QD2 ASN 81 -5.938 -7.522 -25.095 Start of MODEL 16 Raw file had 824 H/Q atoms Start of MODEL 16 1 1H HIS 1 HN1 HIS 1 10.717 12.574 -11.042 2 2H HIS 1 HN2 HIS 1 10.245 13.220 -9.591 3 3H HIS 1 HN3 HIS 1 10.132 11.588 -9.846 4 HA HIS 1 HA HIS 1 8.111 11.773 -10.647 5 1HB HIS 1 2HB HIS 1 7.722 14.607 -10.904 6 2HB HIS 1 3HB HIS 1 7.006 13.513 -9.748 7 HD1 HIS 1 HD1 HIS 1 8.665 12.956 -7.698 8 HD2 HIS 1 HD2 HIS 1 9.367 16.524 -9.649 9 HE1 HIS 1 HE1 HIS 1 10.214 14.297 -6.226 10 QB HIS 1 QB HIS 1 7.365 14.060 -10.326 11 H HIS 2 HN HIS 2 6.812 12.762 -12.445 12 HA HIS 2 HA HIS 2 8.551 13.479 -14.766 13 1HB HIS 2 2HB HIS 2 7.819 11.131 -14.877 14 2HB HIS 2 3HB HIS 2 6.166 11.608 -14.604 15 HD1 HIS 2 HD1 HIS 2 8.664 12.945 -17.027 16 HD2 HIS 2 HD2 HIS 2 4.948 11.177 -17.090 17 HE1 HIS 2 HE1 HIS 2 7.885 13.023 -19.417 18 QB HIS 2 QB HIS 2 6.993 11.370 -14.740 19 H SER 3 HN SER 3 6.884 14.331 -16.598 20 HA SER 3 HA SER 3 5.902 16.798 -15.960 21 1HB SER 3 2HB SER 3 4.458 14.866 -17.830 22 2HB SER 3 3HB SER 3 4.473 16.639 -17.934 23 HG SER 3 HG SER 3 6.392 16.512 -18.831 24 QB SER 3 QB SER 3 4.466 15.752 -17.882 25 H GLY 4 HN GLY 4 4.255 13.766 -15.331 26 1HA GLY 4 1HA GLY 4 2.813 13.644 -13.299 27 2HA GLY 4 2HA GLY 4 2.210 15.252 -13.710 28 QA GLY 4 QA GLY 4 2.511 14.448 -13.505 29 H GLU 5 HN GLU 5 1.678 15.205 -16.194 30 HA GLU 5 HA GLU 5 -0.161 12.925 -16.751 31 1HB GLU 5 2HB GLU 5 -1.377 15.033 -16.029 32 2HB GLU 5 3HB GLU 5 -0.681 15.850 -17.425 33 1HG GLU 5 2HG GLU 5 -1.767 14.250 -18.942 34 2HG GLU 5 3HG GLU 5 -2.387 13.333 -17.571 35 QB GLU 5 QB GLU 5 -1.029 15.442 -16.726 36 QG GLU 5 QG GLU 5 -2.077 13.791 -18.256 37 H HIS 6 HN HIS 6 1.245 11.948 -18.126 38 HA HIS 6 HA HIS 6 2.030 13.484 -20.579 39 1HB HIS 6 2HB HIS 6 4.097 13.050 -19.697 40 2HB HIS 6 3HB HIS 6 3.539 11.688 -18.772 41 HD1 HIS 6 HD1 HIS 6 4.271 9.552 -19.565 42 HD2 HIS 6 HD2 HIS 6 4.375 12.250 -22.682 43 HE1 HIS 6 HE1 HIS 6 5.311 8.349 -21.534 44 QB HIS 6 QB HIS 6 3.818 12.369 -19.235 45 H PHE 7 HN PHE 7 1.934 10.132 -19.514 46 HA PHE 7 HA PHE 7 -0.042 9.498 -21.643 47 1HB PHE 7 2HB PHE 7 2.115 9.081 -22.736 48 2HB PHE 7 3HB PHE 7 2.669 8.140 -21.357 49 HD1 PHE 7 1HD PHE 7 -0.362 8.210 -23.594 50 HD2 PHE 7 2HD PHE 7 2.572 5.820 -21.637 51 HE1 PHE 7 1HE PHE 7 -1.361 6.185 -24.562 52 HE2 PHE 7 2HE PHE 7 1.565 3.801 -22.599 53 HZ PHE 7 HZ PHE 7 -0.403 3.978 -24.062 54 QB PHE 7 QB PHE 7 2.392 8.610 -22.046 55 QR PHE 7 QR PHE 7 0.604 6.004 -23.098 56 H GLU 8 HN GLU 8 2.065 8.057 -19.219 57 HA GLU 8 HA GLU 8 0.784 5.777 -18.493 58 1HB GLU 8 2HB GLU 8 1.620 6.126 -16.193 59 2HB GLU 8 3HB GLU 8 2.821 6.572 -17.390 60 1HG GLU 8 2HG GLU 8 1.088 8.472 -15.767 61 2HG GLU 8 3HG GLU 8 2.823 8.261 -15.657 62 QB GLU 8 QB GLU 8 2.221 6.349 -16.792 63 QG GLU 8 QG GLU 8 1.955 8.366 -15.711 64 H GLY 9 HN GLY 9 -0.086 8.913 -17.039 65 1HA GLY 9 1HA GLY 9 -2.318 9.649 -16.580 66 2HA GLY 9 2HA GLY 9 -2.903 8.023 -16.937 67 QA GLY 9 QA GLY 9 -2.610 8.835 -16.759 68 H GLU 10 HN GLU 10 -4.076 8.582 -14.863 69 HA GLU 10 HA GLU 10 -2.437 8.158 -12.414 70 1HB GLU 10 2HB GLU 10 -4.108 10.053 -12.518 71 2HB GLU 10 3HB GLU 10 -5.385 8.853 -12.653 72 1HG GLU 10 2HG GLU 10 -4.747 7.895 -10.462 73 2HG GLU 10 3HG GLU 10 -3.425 9.054 -10.337 74 QB GLU 10 QB GLU 10 -4.746 9.453 -12.586 75 QG GLU 10 QG GLU 10 -4.087 8.475 -10.400 76 H LYS 11 HN LYS 11 -2.361 6.190 -11.530 77 HA LYS 11 HA LYS 11 -4.608 4.301 -12.067 78 1HB LYS 11 2HB LYS 11 -1.628 3.759 -12.283 79 2HB LYS 11 3HB LYS 11 -2.801 2.464 -12.115 80 1HG LYS 11 2HG LYS 11 -2.838 4.548 -14.333 81 2HG LYS 11 3HG LYS 11 -2.177 2.928 -14.502 82 1HD LYS 11 2HD LYS 11 -4.513 2.090 -13.720 83 2HD LYS 11 3HD LYS 11 -5.063 3.735 -14.014 84 1HE LYS 11 2HE LYS 11 -5.494 2.413 -15.999 85 2HE LYS 11 3HE LYS 11 -4.220 3.574 -16.358 86 1HZ LYS 11 2HZ LYS 11 -3.044 1.226 -15.348 87 2HZ LYS 11 3HZ LYS 11 -4.133 0.778 -16.571 88 3HZ LYS 11 1HZ LYS 11 -2.889 1.898 -16.912 89 QB LYS 11 QB LYS 11 -2.214 3.111 -12.199 90 QG LYS 11 QG LYS 11 -2.507 3.738 -14.418 91 QD LYS 11 QD LYS 11 -4.789 2.912 -13.867 92 QE LYS 11 QE LYS 11 -4.857 2.993 -16.178 93 QZ LYS 11 QZ LYS 11 -3.356 1.300 -16.277 94 H VAL 12 HN VAL 12 -4.666 2.494 -10.501 95 HA VAL 12 HA VAL 12 -3.810 3.350 -7.836 96 HB VAL 12 HB VAL 12 -5.726 1.696 -7.315 97 1HG1 VAL 12 3HG VAL 12 -6.307 4.362 -8.631 98 2HG1 VAL 12 1HG VAL 12 -7.434 3.498 -7.593 99 3HG1 VAL 12 2HG VAL 12 -5.927 4.121 -6.931 100 1HG2 VAL 12 2HG VAL 12 -5.917 0.754 -9.568 101 2HG2 VAL 12 3HG VAL 12 -7.436 1.464 -9.030 102 3HG2 VAL 12 1HG VAL 12 -6.422 2.333 -10.173 103 QG1 VAL 12 QG1 VAL 12 -6.556 3.993 -7.719 104 QG2 VAL 12 QG2 VAL 12 -6.592 1.517 -9.591 105 QQG VAL 12 QQG VAL 12 -6.574 2.755 -8.654 106 H PHE 13 HN PHE 13 -2.795 1.911 -6.527 107 HA PHE 13 HA PHE 13 -1.967 -0.665 -7.810 108 1HB PHE 13 2HB PHE 13 -0.508 1.244 -6.009 109 2HB PHE 13 3HB PHE 13 -0.128 -0.469 -5.898 110 HD1 PHE 13 1HD PHE 13 -0.947 1.764 -8.823 111 HD2 PHE 13 2HD PHE 13 1.852 -0.906 -7.041 112 HE1 PHE 13 1HE PHE 13 0.490 1.937 -10.806 113 HE2 PHE 13 2HE PHE 13 3.261 -0.763 -9.036 114 HZ PHE 13 HZ PHE 13 2.643 0.744 -10.874 115 QB PHE 13 QB PHE 13 -0.318 0.387 -5.954 116 QR PHE 13 QR PHE 13 1.164 0.508 -8.926 117 NH1 ARG 14 NH2 ARG 14 -4.668 -5.830 -7.588 118 NH2 ARG 14 NH1 ARG 14 -6.886 -5.679 -8.111 119 H ARG 14 HN ARG 14 -1.639 -2.430 -6.362 120 HA ARG 14 HA ARG 14 -3.497 -2.323 -4.027 121 1HB ARG 14 2HB ARG 14 -4.394 -3.572 -6.031 122 2HB ARG 14 3HB ARG 14 -3.039 -4.677 -5.867 123 1HG ARG 14 2HG ARG 14 -3.802 -5.342 -3.615 124 2HG ARG 14 3HG ARG 14 -5.102 -4.157 -3.693 125 1HD ARG 14 2HD ARG 14 -4.788 -6.670 -5.364 126 2HD ARG 14 3HD ARG 14 -6.095 -6.251 -4.278 127 HE ARG 14 HE ARG 14 -6.755 -4.416 -5.878 128 1HH1 ARG 14 2HH ARG 14 -3.959 -5.746 -6.896 129 2HH1 ARG 14 1HH ARG 14 -4.417 -6.139 -8.508 130 1HH2 ARG 14 2HH ARG 14 -7.819 -5.461 -7.828 131 2HH2 ARG 14 1HH ARG 14 -6.733 -5.991 -9.053 132 QB ARG 14 QB ARG 14 -3.717 -4.125 -5.949 133 QG ARG 14 QG ARG 14 -4.453 -4.749 -3.654 134 QD ARG 14 QD ARG 14 -5.442 -6.460 -4.821 135 QH1 ARG 14 QH2 ARG 14 -4.188 -5.942 -7.702 136 QH2 ARG 14 QH1 ARG 14 -7.276 -5.726 -8.441 137 H VAL 15 HN VAL 15 -3.113 -3.819 -2.402 138 HA VAL 15 HA VAL 15 -0.414 -5.050 -2.212 139 HB VAL 15 HB VAL 15 -1.530 -3.688 0.227 140 1HG1 VAL 15 2HG VAL 15 0.539 -5.060 0.287 141 2HG1 VAL 15 3HG VAL 15 1.281 -3.982 -0.887 142 3HG1 VAL 15 1HG VAL 15 0.867 -3.386 0.717 143 1HG2 VAL 15 2HG VAL 15 -0.088 -2.183 -1.987 144 2HG2 VAL 15 3HG VAL 15 -1.759 -1.922 -1.483 145 3HG2 VAL 15 1HG VAL 15 -0.439 -1.542 -0.384 146 QG1 VAL 15 QG1 VAL 15 0.896 -4.143 0.039 147 QG2 VAL 15 QG2 VAL 15 -0.762 -1.882 -1.285 148 QQG VAL 15 QQG VAL 15 0.067 -3.012 -0.623 149 H ASN 16 HN ASN 16 -0.449 -6.899 -0.779 150 HA ASN 16 HA ASN 16 -3.193 -7.749 0.074 151 1HB ASN 16 2HB ASN 16 -0.810 -9.374 -0.875 152 2HB ASN 16 3HB ASN 16 -2.314 -10.057 -0.292 153 1HD2 ASN 16 2HD ASN 16 -2.165 -8.274 -3.974 154 2HD2 ASN 16 1HD ASN 16 -0.931 -7.984 -2.835 155 QB ASN 16 QB ASN 16 -1.562 -9.715 -0.584 156 QD2 ASN 16 QD2 ASN 16 -1.548 -8.129 -3.404 157 H VAL 17 HN VAL 17 -3.347 -8.350 2.282 158 HA VAL 17 HA VAL 17 -0.906 -8.092 3.802 159 HB VAL 17 HB VAL 17 -2.612 -7.675 5.506 160 1HG1 VAL 17 1HG VAL 17 -1.697 -5.833 4.129 161 2HG1 VAL 17 2HG VAL 17 -2.979 -6.107 2.956 162 3HG1 VAL 17 3HG VAL 17 -3.376 -5.516 4.561 163 1HG2 VAL 17 1HG VAL 17 -4.447 -9.054 4.734 164 2HG2 VAL 17 2HG VAL 17 -4.953 -7.394 4.955 165 3HG2 VAL 17 3HG VAL 17 -4.636 -7.998 3.344 166 QG1 VAL 17 QG1 VAL 17 -2.684 -5.819 3.882 167 QG2 VAL 17 QG2 VAL 17 -4.679 -8.148 4.345 168 QQG VAL 17 QQG VAL 17 -3.682 -6.984 4.113 169 H GLU 18 HN GLU 18 0.100 -10.005 4.045 170 HA GLU 18 HA GLU 18 -1.392 -12.496 4.337 171 1HB GLU 18 2HB GLU 18 1.553 -12.013 4.874 172 2HB GLU 18 3HB GLU 18 0.773 -13.519 4.453 173 1HG GLU 18 2HG GLU 18 1.088 -11.107 2.647 174 2HG GLU 18 3HG GLU 18 1.902 -12.657 2.482 175 QB GLU 18 QB GLU 18 1.163 -12.766 4.664 176 QG GLU 18 QG GLU 18 1.495 -11.882 2.565 177 H ASP 19 HN ASP 19 0.667 -10.419 6.355 178 HA ASP 19 HA ASP 19 -0.802 -11.488 8.738 179 1HB ASP 19 2HB ASP 19 1.465 -11.198 9.995 180 2HB ASP 19 3HB ASP 19 1.226 -12.636 9.025 181 QB ASP 19 QB ASP 19 1.345 -11.917 9.510 182 H GLU 20 HN GLU 20 1.615 -9.437 9.635 183 HA GLU 20 HA GLU 20 -0.142 -7.074 9.319 184 1HB GLU 20 2HB GLU 20 0.119 -8.183 11.614 185 2HB GLU 20 3HB GLU 20 1.781 -7.605 11.583 186 1HG GLU 20 2HG GLU 20 0.667 -5.910 12.648 187 2HG GLU 20 3HG GLU 20 0.739 -5.289 11.019 188 QB GLU 20 QB GLU 20 0.950 -7.894 11.599 189 QG GLU 20 QG GLU 20 0.703 -5.599 11.833 190 H ASN 21 HN ASN 21 2.998 -8.433 8.881 191 HA ASN 21 HA ASN 21 4.692 -6.269 8.896 192 1HB ASN 21 2HB ASN 21 4.418 -8.675 7.067 193 2HB ASN 21 3HB ASN 21 5.817 -7.688 7.200 194 1HD2 ASN 21 2HD ASN 21 5.469 -10.651 9.765 195 2HD2 ASN 21 1HD ASN 21 4.593 -10.540 8.312 196 QB ASN 21 QB ASN 21 5.117 -8.182 7.134 197 QD2 ASN 21 QD2 ASN 21 5.031 -10.595 9.039 198 H ASP 22 HN ASP 22 3.038 -7.626 6.049 199 HA ASP 22 HA ASP 22 3.537 -5.589 4.218 200 1HB ASP 22 2HB ASP 22 2.227 -7.740 3.753 201 2HB ASP 22 3HB ASP 22 0.828 -6.986 4.511 202 QB ASP 22 QB ASP 22 1.527 -7.363 4.133 203 H ILE 23 HN ILE 23 0.807 -5.771 6.451 204 HA ILE 23 HA ILE 23 -0.371 -3.284 5.720 205 HB ILE 23 HB ILE 23 -0.411 -4.796 8.359 206 1HG1 ILE 23 2HG ILE 23 -2.332 -4.657 6.007 207 2HG1 ILE 23 3HG ILE 23 -1.223 -5.982 6.302 208 1HG2 ILE 23 2HG ILE 23 -1.080 -2.400 8.635 209 2HG2 ILE 23 3HG ILE 23 -2.260 -2.594 7.341 210 3HG2 ILE 23 1HG ILE 23 -2.442 -3.482 8.844 211 1HD1 ILE 23 2HD ILE 23 -3.423 -5.128 8.200 212 2HD1 ILE 23 3HD ILE 23 -3.505 -6.504 7.113 213 3HD1 ILE 23 1HD ILE 23 -2.338 -6.489 8.426 214 QG1 ILE 23 QG1 ILE 23 -1.778 -5.319 6.155 215 QG2 ILE 23 QG2 ILE 23 -1.927 -2.825 8.273 216 QD1 ILE 23 QD1 ILE 23 -3.089 -6.040 7.913 217 H SER 24 HN SER 24 1.960 -3.972 8.282 218 HA SER 24 HA SER 24 2.074 -1.272 9.293 219 1HB SER 24 2HB SER 24 4.138 -3.526 9.471 220 2HB SER 24 3HB SER 24 4.090 -2.077 10.500 221 HG SER 24 HG SER 24 2.320 -4.251 10.356 222 QB SER 24 QB SER 24 4.114 -2.801 9.986 223 H GLU 25 HN GLU 25 4.385 -3.134 7.307 224 HA GLU 25 HA GLU 25 6.087 -1.054 6.560 225 1HB GLU 25 2HB GLU 25 5.067 -3.505 5.141 226 2HB GLU 25 3HB GLU 25 6.136 -2.423 4.300 227 1HG GLU 25 2HG GLU 25 7.550 -4.104 5.282 228 2HG GLU 25 3HG GLU 25 7.763 -2.666 6.263 229 QB GLU 25 QB GLU 25 5.602 -2.964 4.721 230 QG GLU 25 QG GLU 25 7.657 -3.385 5.773 231 H LEU 26 HN LEU 26 3.209 -2.114 4.739 232 HA LEU 26 HA LEU 26 3.150 -0.096 2.799 233 1HB LEU 26 2HB LEU 26 1.716 -1.961 2.525 234 2HB LEU 26 3HB LEU 26 1.078 -1.816 4.153 235 HG LEU 26 HG LEU 26 -0.046 0.267 3.529 236 1HD1 LEU 26 3HD LEU 26 0.923 -0.410 0.723 237 2HD1 LEU 26 1HD LEU 26 -0.258 0.845 1.097 238 3HD1 LEU 26 2HD LEU 26 1.400 0.999 1.663 239 1HD2 LEU 26 3HD LEU 26 -0.659 -2.156 1.812 240 2HD2 LEU 26 1HD LEU 26 -1.247 -1.864 3.441 241 3HD2 LEU 26 2HD LEU 26 -1.792 -0.846 2.111 242 QB LEU 26 QB LEU 26 1.397 -1.888 3.339 243 QD1 LEU 26 QD1 LEU 26 0.688 0.478 1.161 244 QD2 LEU 26 QD2 LEU 26 -1.232 -1.622 2.455 245 QQD LEU 26 QQD LEU 26 -0.272 -0.572 1.808 246 H HIS 27 HN HIS 27 1.579 -0.108 6.006 247 HA HIS 27 HA HIS 27 0.185 2.284 5.983 248 1HB HIS 27 2HB HIS 27 1.752 0.891 8.097 249 2HB HIS 27 3HB HIS 27 1.321 2.531 8.430 250 HD1 HIS 27 HD1 HIS 27 -0.479 2.322 10.034 251 HD2 HIS 27 HD2 HIS 27 -1.139 -0.277 6.909 252 HE1 HIS 27 HE1 HIS 27 -2.706 1.211 10.482 253 QB HIS 27 QB HIS 27 1.537 1.711 8.264 254 H GLU 28 HN GLU 28 3.665 1.962 6.620 255 HA GLU 28 HA GLU 28 4.346 4.612 7.146 256 1HB GLU 28 2HB GLU 28 5.977 2.771 7.206 257 2HB GLU 28 3HB GLU 28 5.933 2.647 5.451 258 1HG GLU 28 2HG GLU 28 6.782 4.944 5.241 259 2HG GLU 28 3HG GLU 28 6.689 5.164 6.978 260 QB GLU 28 QB GLU 28 5.955 2.709 6.329 261 QG GLU 28 QG GLU 28 6.736 5.054 6.109 262 H LEU 29 HN LEU 29 3.741 3.201 3.976 263 HA LEU 29 HA LEU 29 4.667 5.300 2.361 264 1HB LEU 29 2HB LEU 29 3.796 3.144 1.496 265 2HB LEU 29 3HB LEU 29 2.168 3.607 1.958 266 HG LEU 29 HG LEU 29 2.192 5.468 0.355 267 1HD1 LEU 29 3HD LEU 29 5.051 4.576 -0.208 268 2HD1 LEU 29 1HD LEU 29 4.161 5.758 -1.166 269 3HD1 LEU 29 2HD LEU 29 4.568 6.112 0.508 270 1HD2 LEU 29 2HD LEU 29 1.612 3.191 -0.485 271 2HD2 LEU 29 3HD LEU 29 2.357 4.180 -1.739 272 3HD2 LEU 29 1HD LEU 29 3.296 2.938 -0.916 273 QB LEU 29 QB LEU 29 2.982 3.375 1.727 274 QD1 LEU 29 QD1 LEU 29 4.593 5.482 -0.289 275 QD2 LEU 29 QD2 LEU 29 2.422 3.436 -1.046 276 QQD LEU 29 QQD LEU 29 3.507 4.459 -0.668 277 H ALA 30 HN ALA 30 1.694 5.043 4.204 278 HA ALA 30 HA ALA 30 0.403 7.412 3.207 279 1HB ALA 30 2HB ALA 30 -0.814 5.679 4.485 280 2HB ALA 30 3HB ALA 30 0.132 6.067 5.924 281 3HB ALA 30 1HB ALA 30 -0.988 7.253 5.254 282 QB ALA 30 QB ALA 30 -0.556 6.333 5.221 283 H SER 31 HN SER 31 3.052 6.985 5.326 284 HA SER 31 HA SER 31 2.814 9.799 6.321 285 1HB SER 31 2HB SER 31 4.625 7.550 7.300 286 2HB SER 31 3HB SER 31 4.398 9.133 8.071 287 HG SER 31 HG SER 31 2.641 8.354 8.936 288 QB SER 31 QB SER 31 4.512 8.342 7.686 289 H THR 32 HN THR 32 3.988 8.342 3.786 290 HA THR 32 HA THR 32 6.522 9.934 3.754 291 HB THR 32 HB THR 32 5.998 7.245 2.383 292 HG1 THR 32 1HG THR 32 6.306 6.710 4.445 293 1HG2 THR 32 2HG THR 32 7.835 8.722 1.358 294 2HG2 THR 32 3HG THR 32 8.588 8.771 2.950 295 3HG2 THR 32 1HG THR 32 8.449 7.243 2.092 296 QG2 THR 32 QG2 THR 32 8.291 8.245 2.134 297 NH1 ARG 33 NH1 ARG 33 8.893 7.762 -3.913 298 NH2 ARG 33 NH2 ARG 33 8.234 9.430 -5.318 299 H ARG 33 HN ARG 33 4.140 8.359 1.633 300 HA ARG 33 HA ARG 33 4.234 10.805 -0.077 301 1HB ARG 33 2HB ARG 33 4.322 7.906 -0.921 302 2HB ARG 33 3HB ARG 33 3.761 9.159 -2.023 303 1HG ARG 33 2HG ARG 33 5.937 10.412 -1.452 304 2HG ARG 33 3HG ARG 33 6.486 8.910 -0.718 305 1HD ARG 33 2HD ARG 33 6.295 7.730 -2.831 306 2HD ARG 33 3HD ARG 33 5.487 9.106 -3.586 307 HE ARG 33 HE ARG 33 7.894 10.171 -2.728 308 1HH1 ARG 33 2HH ARG 33 8.874 7.360 -3.005 309 2HH1 ARG 33 1HH ARG 33 9.422 7.308 -4.633 310 1HH2 ARG 33 2HH ARG 33 7.703 10.279 -5.464 311 2HH2 ARG 33 1HH ARG 33 8.757 9.051 -6.077 312 QB ARG 33 QB ARG 33 4.041 8.532 -1.472 313 QG ARG 33 QG ARG 33 6.212 9.661 -1.086 314 QD ARG 33 QD ARG 33 5.891 8.417 -3.208 315 QH1 ARG 33 QH1 ARG 33 9.148 7.334 -3.819 316 QH2 ARG 33 QH2 ARG 33 8.230 9.666 -5.771 317 H GLN 34 HN GLN 34 2.498 10.412 1.961 318 HA GLN 34 HA GLN 34 0.160 9.674 2.343 319 1HB GLN 34 2HB GLN 34 0.485 12.422 1.118 320 2HB GLN 34 3HB GLN 34 -1.007 11.891 1.878 321 1HG GLN 34 2HG GLN 34 0.286 13.086 3.558 322 2HG GLN 34 3HG GLN 34 0.320 11.382 3.976 323 1HE2 GLN 34 2HE GLN 34 3.773 13.205 2.761 324 2HE2 GLN 34 1HE GLN 34 2.282 13.974 2.517 325 QB GLN 34 QB GLN 34 -0.262 12.157 1.498 326 QG GLN 34 QG GLN 34 0.304 12.234 3.768 327 QE2 GLN 34 QE2 GLN 34 3.027 13.589 2.639 328 H ILE 35 HN ILE 35 -0.663 8.097 1.175 329 HA ILE 35 HA ILE 35 -1.637 8.630 -1.596 330 HB ILE 35 HB ILE 35 -1.902 6.064 -1.565 331 1HG1 ILE 35 2HG ILE 35 -0.025 6.194 0.809 332 2HG1 ILE 35 3HG ILE 35 -1.762 6.158 1.066 333 1HG2 ILE 35 3HG ILE 35 0.881 7.223 -1.141 334 2HG2 ILE 35 1HG ILE 35 0.517 5.685 -1.919 335 3HG2 ILE 35 2HG ILE 35 0.001 7.192 -2.668 336 1HD1 ILE 35 2HD ILE 35 -0.205 4.085 -0.514 337 2HD1 ILE 35 3HD ILE 35 -0.771 3.885 1.141 338 3HD1 ILE 35 1HD ILE 35 -1.931 4.048 -0.176 339 QG1 ILE 35 QG1 ILE 35 -0.894 6.176 0.937 340 QG2 ILE 35 QG2 ILE 35 0.466 6.700 -1.910 341 QD1 ILE 35 QD1 ILE 35 -0.969 4.005 0.150 342 H ASP 36 HN ASP 36 -3.821 7.871 -2.121 343 HA ASP 36 HA ASP 36 -5.605 7.961 0.276 344 1HB ASP 36 2HB ASP 36 -7.390 8.462 -1.433 345 2HB ASP 36 3HB ASP 36 -6.090 9.655 -1.447 346 QB ASP 36 QB ASP 36 -6.740 9.058 -1.441 347 H PHE 37 HN PHE 37 -7.405 6.456 0.277 348 HA PHE 37 HA PHE 37 -6.656 3.856 -0.984 349 1HB PHE 37 2HB PHE 37 -8.322 4.428 1.505 350 2HB PHE 37 3HB PHE 37 -7.961 2.825 0.872 351 HD1 PHE 37 2HD PHE 37 -5.662 1.938 0.949 352 HD2 PHE 37 1HD PHE 37 -6.550 5.765 2.587 353 HE1 PHE 37 2HE PHE 37 -3.498 1.946 2.111 354 HE2 PHE 37 1HE PHE 37 -4.374 5.789 3.725 355 HZ PHE 37 HZ PHE 37 -2.838 3.879 3.488 356 QB PHE 37 QB PHE 37 -8.143 3.627 1.188 357 QR PHE 37 QR PHE 37 -5.021 3.859 2.343 358 CH2 TRP 38 CH2 TRP 38 -9.100 6.158 -8.079 359 H TRP 38 HN TRP 38 -8.326 2.517 -1.700 360 HA TRP 38 HA TRP 38 -10.800 3.951 -2.580 361 1HB TRP 38 2HB TRP 38 -9.206 1.787 -3.995 362 2HB TRP 38 3HB TRP 38 -10.670 2.510 -4.601 363 HD1 TRP 38 HD1 TRP 38 -7.374 4.155 -3.248 364 HE1 TRP 38 HE1 TRP 38 -6.693 5.998 -4.749 365 HE3 TRP 38 HE3 TRP 38 -10.885 3.569 -6.775 366 HZ2 TRP 38 HZ2 TRP 38 -7.382 7.060 -7.184 367 HZ3 TRP 38 HZ3 TRP 38 -10.823 5.086 -8.736 368 HH2 TRP 38 HH2 TRP 38 -9.084 6.804 -8.945 369 QB TRP 38 QB TRP 38 -9.939 2.148 -4.298 370 H LYS 39 HN LYS 39 -9.365 0.779 -1.905 371 HA LYS 39 HA LYS 39 -11.741 0.064 -0.303 372 1HB LYS 39 2HB LYS 39 -11.582 -0.826 -2.940 373 2HB LYS 39 3HB LYS 39 -10.971 -2.186 -2.006 374 1HG LYS 39 2HG LYS 39 -13.309 -2.550 -2.032 375 2HG LYS 39 3HG LYS 39 -13.031 -1.814 -0.462 376 1HD LYS 39 2HD LYS 39 -13.449 0.311 -2.364 377 2HD LYS 39 3HD LYS 39 -14.704 -0.880 -2.622 378 1HE LYS 39 2HE LYS 39 -15.684 0.465 -0.987 379 2HE LYS 39 3HE LYS 39 -14.980 -0.808 -0.004 380 1HZ LYS 39 2HZ LYS 39 -13.054 1.217 -0.397 381 2HZ LYS 39 3HZ LYS 39 -14.491 1.946 0.111 382 3HZ LYS 39 1HZ LYS 39 -13.801 0.743 1.066 383 QB LYS 39 QB LYS 39 -11.277 -1.506 -2.473 384 QG LYS 39 QG LYS 39 -13.170 -2.182 -1.247 385 QD LYS 39 QD LYS 39 -14.077 -0.285 -2.493 386 QE LYS 39 QE LYS 39 -15.332 -0.171 -0.495 387 QZ LYS 39 QZ LYS 39 -13.782 1.302 0.259 388 HA PRO 40 HA PRO 40 -12.210 -0.958 1.699 389 1HB PRO 40 2HB PRO 40 -10.826 -0.375 4.128 390 2HB PRO 40 3HB PRO 40 -11.781 -1.816 3.752 391 1HG PRO 40 2HG PRO 40 -8.813 -1.428 3.675 392 2HG PRO 40 3HG PRO 40 -9.737 -2.903 3.986 393 1HD PRO 40 2HD PRO 40 -8.454 -2.435 1.602 394 2HD PRO 40 3HD PRO 40 -9.948 -3.390 1.695 395 QB PRO 40 QB PRO 40 -11.304 -1.096 3.940 396 QG PRO 40 QG PRO 40 -9.275 -2.166 3.831 397 QD PRO 40 QD PRO 40 -9.201 -2.913 1.648 398 H ASP 41 HN ASP 41 -12.098 1.037 3.681 399 HA ASP 41 HA ASP 41 -11.374 3.389 1.980 400 1HB ASP 41 2HB ASP 41 -13.329 3.293 4.303 401 2HB ASP 41 3HB ASP 41 -13.189 4.535 3.062 402 QB ASP 41 QB ASP 41 -13.258 3.914 3.683 403 H SER 42 HN SER 42 -11.651 2.570 5.433 404 HA SER 42 HA SER 42 -9.408 4.473 5.931 405 1HB SER 42 2HB SER 42 -10.180 4.537 8.282 406 2HB SER 42 3HB SER 42 -11.561 4.855 7.214 407 HG SER 42 HG SER 42 -11.261 2.219 7.422 408 QB SER 42 QB SER 42 -10.871 4.697 7.748 409 H VAL 43 HN VAL 43 -7.548 3.494 5.925 410 HA VAL 43 HA VAL 43 -6.644 1.004 5.837 411 HB VAL 43 HB VAL 43 -5.205 2.991 6.058 412 1HG1 VAL 43 3HG VAL 43 -6.418 4.035 7.977 413 2HG1 VAL 43 1HG VAL 43 -5.757 2.796 9.041 414 3HG1 VAL 43 2HG VAL 43 -4.684 3.940 8.251 415 1HG2 VAL 43 1HG VAL 43 -4.540 0.803 8.050 416 2HG2 VAL 43 2HG VAL 43 -4.136 0.806 6.338 417 3HG2 VAL 43 3HG VAL 43 -3.391 1.976 7.417 418 QG1 VAL 43 QG1 VAL 43 -5.620 3.590 8.423 419 QG2 VAL 43 QG2 VAL 43 -4.022 1.195 7.268 420 QQG VAL 43 QQG VAL 43 -4.821 2.392 7.846 421 H THR 44 HN THR 44 -7.867 2.404 8.771 422 HA THR 44 HA THR 44 -7.336 0.664 10.771 423 HB THR 44 HB THR 44 -10.119 1.153 11.046 424 HG1 THR 44 1HG THR 44 -10.368 2.546 9.393 425 1HG2 THR 44 3HG THR 44 -8.239 1.736 12.684 426 2HG2 THR 44 1HG THR 44 -7.779 3.048 11.604 427 3HG2 THR 44 2HG THR 44 -9.345 3.078 12.407 428 QG2 THR 44 QG2 THR 44 -8.455 2.621 12.232 429 H GLN 45 HN GLN 45 -9.775 -0.013 8.213 430 HA GLN 45 HA GLN 45 -10.242 -2.647 9.492 431 1HB GLN 45 2HB GLN 45 -11.841 -3.040 7.620 432 2HB GLN 45 3HB GLN 45 -12.223 -1.611 8.551 433 1HG GLN 45 2HG GLN 45 -10.411 -1.098 6.262 434 2HG GLN 45 3HG GLN 45 -11.973 -1.746 5.788 435 1HE2 GLN 45 2HE GLN 45 -12.835 1.504 7.989 436 2HE2 GLN 45 1HE GLN 45 -12.266 0.075 8.706 437 QB GLN 45 QB GLN 45 -12.032 -2.325 8.085 438 QG GLN 45 QG GLN 45 -11.192 -1.422 6.025 439 QE2 GLN 45 QE2 GLN 45 -12.550 0.790 8.348 440 H ILE 46 HN ILE 46 -7.637 -2.467 8.837 441 HA ILE 46 HA ILE 46 -7.433 -4.427 6.578 442 HB ILE 46 HB ILE 46 -5.499 -2.166 7.200 443 1HG1 ILE 46 2HG ILE 46 -7.249 -2.798 4.784 444 2HG1 ILE 46 3HG ILE 46 -7.555 -1.525 5.955 445 1HG2 ILE 46 1HG ILE 46 -4.322 -4.257 6.548 446 2HG2 ILE 46 2HG ILE 46 -5.325 -4.378 5.111 447 3HG2 ILE 46 3HG ILE 46 -4.191 -3.040 5.296 448 1HD1 ILE 46 1HD ILE 46 -5.344 -0.498 5.336 449 2HD1 ILE 46 2HD ILE 46 -5.181 -1.708 4.071 450 3HD1 ILE 46 3HD ILE 46 -6.492 -0.538 4.002 451 QG1 ILE 46 QG1 ILE 46 -7.402 -2.161 5.370 452 QG2 ILE 46 QG2 ILE 46 -4.612 -3.891 5.652 453 QD1 ILE 46 QD1 ILE 46 -5.673 -0.914 4.470 454 H LYS 47 HN LYS 47 -7.035 -6.284 7.523 455 HA LYS 47 HA LYS 47 -4.781 -6.525 9.446 456 1HB LYS 47 2HB LYS 47 -7.626 -7.527 9.728 457 2HB LYS 47 3HB LYS 47 -6.324 -8.326 10.579 458 1HG LYS 47 2HG LYS 47 -6.780 -5.331 10.742 459 2HG LYS 47 3HG LYS 47 -7.544 -6.451 11.855 460 1HD LYS 47 2HD LYS 47 -5.641 -6.673 13.075 461 2HD LYS 47 3HD LYS 47 -4.675 -6.992 11.649 462 1HE LYS 47 2HE LYS 47 -5.581 -4.172 12.109 463 2HE LYS 47 3HE LYS 47 -4.299 -4.805 13.133 464 1HZ LYS 47 2HZ LYS 47 -3.580 -5.575 10.603 465 2HZ LYS 47 3HZ LYS 47 -4.165 -3.988 10.403 466 3HZ LYS 47 1HZ LYS 47 -2.907 -4.339 11.517 467 QB LYS 47 QB LYS 47 -6.974 -7.927 10.154 468 QG LYS 47 QG LYS 47 -7.162 -5.892 11.299 469 QD LYS 47 QD LYS 47 -5.158 -6.832 12.362 470 QE LYS 47 QE LYS 47 -4.941 -4.488 12.621 471 QZ LYS 47 QZ LYS 47 -3.551 -4.634 10.841 472 HA PRO 48 HA PRO 48 -3.359 -10.092 7.157 473 1HB PRO 48 2HB PRO 48 -4.461 -11.966 9.195 474 2HB PRO 48 3HB PRO 48 -2.824 -11.846 8.546 475 1HG PRO 48 2HG PRO 48 -3.656 -10.871 11.049 476 2HG PRO 48 3HG PRO 48 -2.171 -10.399 10.225 477 1HD PRO 48 2HD PRO 48 -4.516 -8.787 10.720 478 2HD PRO 48 3HD PRO 48 -3.013 -8.294 9.932 479 QB PRO 48 QB PRO 48 -3.642 -11.906 8.870 480 QG PRO 48 QG PRO 48 -2.913 -10.635 10.637 481 QD PRO 48 QD PRO 48 -3.765 -8.540 10.326 482 H HIS 49 HN HIS 49 -4.154 -11.391 5.609 483 HA HIS 49 HA HIS 49 -5.626 -12.644 4.309 484 1HB HIS 49 2HB HIS 49 -7.603 -12.564 6.585 485 2HB HIS 49 3HB HIS 49 -7.480 -13.746 5.312 486 HD1 HIS 49 HD1 HIS 49 -7.459 -14.837 7.988 487 HD2 HIS 49 HD2 HIS 49 -3.909 -13.677 6.277 488 HE1 HIS 49 HE1 HIS 49 -5.642 -16.052 9.235 489 QB HIS 49 QB HIS 49 -7.541 -13.155 5.949 490 H SER 50 HN SER 50 -5.585 -10.013 3.762 491 HA SER 50 HA SER 50 -8.335 -9.585 2.809 492 1HB SER 50 2HB SER 50 -8.222 -8.451 5.096 493 2HB SER 50 3HB SER 50 -7.037 -7.339 4.385 494 HG SER 50 HG SER 50 -9.661 -7.219 4.140 495 QB SER 50 QB SER 50 -7.630 -7.895 4.740 496 H THR 51 HN THR 51 -8.169 -7.089 1.831 497 HA THR 51 HA THR 51 -5.697 -7.049 0.138 498 HB THR 51 HB THR 51 -8.589 -6.763 -0.806 499 HG1 THR 51 1HG THR 51 -6.646 -8.770 -0.633 500 1HG2 THR 51 3HG THR 51 -5.960 -6.870 -2.341 501 2HG2 THR 51 1HG THR 51 -7.573 -6.842 -3.058 502 3HG2 THR 51 2HG THR 51 -6.970 -5.429 -2.196 503 QG2 THR 51 QG2 THR 51 -6.834 -6.380 -2.532 504 H VAL 52 HN VAL 52 -5.286 -4.971 -0.912 505 HA VAL 52 HA VAL 52 -6.737 -2.636 0.244 506 HB VAL 52 HB VAL 52 -3.714 -2.655 0.168 507 1HG1 VAL 52 3HG VAL 52 -5.764 -1.100 1.786 508 2HG1 VAL 52 1HG VAL 52 -4.020 -0.883 1.872 509 3HG1 VAL 52 2HG VAL 52 -4.880 -0.498 0.386 510 1HG2 VAL 52 1HG VAL 52 -5.475 -3.585 2.467 511 2HG2 VAL 52 2HG VAL 52 -4.308 -4.567 1.582 512 3HG2 VAL 52 3HG VAL 52 -3.752 -3.245 2.600 513 QG1 VAL 52 QG1 VAL 52 -4.888 -0.827 1.348 514 QG2 VAL 52 QG2 VAL 52 -4.512 -3.799 2.216 515 QQG VAL 52 QQG VAL 52 -4.700 -2.313 1.781 516 H ASP 53 HN ASP 53 -7.293 -1.325 -1.395 517 HA ASP 53 HA ASP 53 -5.547 -1.205 -3.828 518 1HB ASP 53 2HB ASP 53 -8.555 -1.000 -3.480 519 2HB ASP 53 3HB ASP 53 -7.751 -0.455 -4.947 520 QB ASP 53 QB ASP 53 -8.153 -0.727 -4.213 521 H PHE 54 HN PHE 54 -4.389 0.639 -3.785 522 HA PHE 54 HA PHE 54 -5.766 3.135 -2.899 523 1HB PHE 54 2HB PHE 54 -3.724 3.873 -1.806 524 2HB PHE 54 3HB PHE 54 -4.118 2.278 -1.194 525 HD1 PHE 54 2HD PHE 54 -2.964 0.251 -2.422 526 HD2 PHE 54 1HD PHE 54 -1.585 4.263 -2.750 527 HE1 PHE 54 2HE PHE 54 -0.763 -0.557 -3.115 528 HE2 PHE 54 1HE PHE 54 0.631 3.450 -3.397 529 HZ PHE 54 HZ PHE 54 1.054 1.031 -3.565 530 QB PHE 54 QB PHE 54 -3.921 3.075 -1.500 531 QR PHE 54 QR PHE 54 -1.170 1.851 -2.921 532 NH1 ARG 55 NH2 ARG 55 -6.998 10.146 -7.595 533 NH2 ARG 55 NH1 ARG 55 -7.634 9.153 -5.644 534 H ARG 55 HN ARG 55 -4.369 5.097 -3.606 535 HA ARG 55 HA ARG 55 -3.721 4.673 -6.490 536 1HB ARG 55 2HB ARG 55 -5.366 6.320 -6.406 537 2HB ARG 55 3HB ARG 55 -4.747 6.993 -4.908 538 1HG ARG 55 2HG ARG 55 -2.998 8.128 -5.982 539 2HG ARG 55 3HG ARG 55 -3.109 7.133 -7.438 540 1HD ARG 55 2HD ARG 55 -4.019 9.432 -7.736 541 2HD ARG 55 3HD ARG 55 -5.223 8.186 -8.037 542 HE ARG 55 HE ARG 55 -5.113 9.413 -5.319 543 1HH1 ARG 55 2HH ARG 55 -6.252 10.411 -8.216 544 2HH1 ARG 55 1HH ARG 55 -7.934 10.354 -7.850 545 1HH2 ARG 55 2HH ARG 55 -7.360 8.669 -4.814 546 2HH2 ARG 55 1HH ARG 55 -8.599 9.333 -5.814 547 QB ARG 55 QB ARG 55 -5.057 6.657 -5.658 548 QG ARG 55 QG ARG 55 -3.054 7.630 -6.710 549 QD ARG 55 QD ARG 55 -4.621 8.809 -7.886 550 QH1 ARG 55 QH2 ARG 55 -7.093 10.382 -8.033 551 QH2 ARG 55 QH1 ARG 55 -7.979 9.002 -5.315 552 H VAL 56 HN VAL 56 -1.799 5.410 -7.369 553 HA VAL 56 HA VAL 56 0.388 5.956 -5.422 554 HB VAL 56 HB VAL 56 1.804 5.148 -7.395 555 1HG1 VAL 56 3HG VAL 56 -0.236 3.239 -6.223 556 2HG1 VAL 56 1HG VAL 56 1.295 2.761 -6.953 557 3HG1 VAL 56 2HG VAL 56 1.283 3.698 -5.465 558 1HG2 VAL 56 1HG VAL 56 0.089 5.482 -9.160 559 2HG2 VAL 56 2HG VAL 56 0.673 3.822 -9.122 560 3HG2 VAL 56 3HG VAL 56 -0.890 4.215 -8.424 561 QG1 VAL 56 QG1 VAL 56 0.781 3.232 -6.214 562 QG2 VAL 56 QG2 VAL 56 -0.042 4.506 -8.902 563 QQG VAL 56 QQG VAL 56 0.369 3.869 -7.558 564 H LYS 57 HN LYS 57 -1.434 7.865 -6.482 565 HA LYS 57 HA LYS 57 -1.639 9.920 -7.457 566 1HB LYS 57 2HB LYS 57 1.331 10.024 -6.955 567 2HB LYS 57 3HB LYS 57 0.195 11.367 -7.057 568 1HG LYS 57 2HG LYS 57 -1.118 10.103 -5.175 569 2HG LYS 57 3HG LYS 57 0.400 9.268 -4.905 570 1HD LYS 57 2HD LYS 57 0.105 12.295 -4.869 571 2HD LYS 57 3HD LYS 57 0.045 11.284 -3.433 572 1HE LYS 57 2HE LYS 57 2.295 12.117 -3.626 573 2HE LYS 57 3HE LYS 57 2.334 10.408 -4.033 574 1HZ LYS 57 3HZ LYS 57 1.846 11.878 -6.386 575 2HZ LYS 57 1HZ LYS 57 3.178 12.561 -5.596 576 3HZ LYS 57 2HZ LYS 57 3.184 10.914 -6.012 577 QB LYS 57 QB LYS 57 0.763 10.695 -7.006 578 QG LYS 57 QG LYS 57 -0.359 9.685 -5.040 579 QD LYS 57 QD LYS 57 0.075 11.789 -4.151 580 QE LYS 57 QE LYS 57 2.314 11.263 -3.830 581 QZ LYS 57 QZ LYS 57 2.736 11.784 -5.998 582 H ALA 58 HN ALA 58 1.530 8.861 -8.873 583 HA ALA 58 HA ALA 58 1.350 7.977 -11.277 584 1HB ALA 58 2HB ALA 58 -0.101 10.596 -11.710 585 2HB ALA 58 3HB ALA 58 0.412 9.491 -12.983 586 3HB ALA 58 1HB ALA 58 -0.797 8.988 -11.816 587 QB ALA 58 QB ALA 58 -0.162 9.691 -12.169 588 H GLU 59 HN GLU 59 2.191 11.116 -10.013 589 HA GLU 59 HA GLU 59 3.914 11.825 -12.197 590 1HB GLU 59 2HB GLU 59 4.718 13.613 -10.788 591 2HB GLU 59 3HB GLU 59 2.995 13.436 -10.521 592 1HG GLU 59 2HG GLU 59 5.197 12.394 -8.705 593 2HG GLU 59 3HG GLU 59 4.112 13.736 -8.373 594 QB GLU 59 QB GLU 59 3.856 13.524 -10.655 595 QG GLU 59 QG GLU 59 4.655 13.064 -8.539 596 H ASP 60 HN ASP 60 4.506 9.942 -9.310 597 HA ASP 60 HA ASP 60 7.357 9.572 -10.162 598 1HB ASP 60 2HB ASP 60 6.007 9.808 -7.520 599 2HB ASP 60 3HB ASP 60 7.331 8.659 -7.609 600 QB ASP 60 QB ASP 60 6.669 9.234 -7.564 601 H ILE 61 HN ILE 61 4.428 7.862 -9.812 602 HA ILE 61 HA ILE 61 4.145 5.519 -9.112 603 HB ILE 61 HB ILE 61 4.955 5.796 -12.017 604 1HG1 ILE 61 2HG ILE 61 2.221 5.741 -10.715 605 2HG1 ILE 61 3HG ILE 61 3.087 7.207 -11.147 606 1HG2 ILE 61 3HG ILE 61 4.997 3.396 -11.276 607 2HG2 ILE 61 1HG ILE 61 3.373 3.584 -10.626 608 3HG2 ILE 61 2HG ILE 61 3.652 3.701 -12.357 609 1HD1 ILE 61 3HD ILE 61 2.303 5.029 -13.120 610 2HD1 ILE 61 1HD ILE 61 1.470 6.563 -12.919 611 3HD1 ILE 61 2HD ILE 61 3.124 6.537 -13.515 612 QG1 ILE 61 QG1 ILE 61 2.654 6.474 -10.930 613 QG2 ILE 61 QG2 ILE 61 4.008 3.560 -11.420 614 QD1 ILE 61 QD1 ILE 61 2.299 6.043 -13.184 615 H LEU 62 HN LEU 62 6.799 5.199 -11.435 616 HA LEU 62 HA LEU 62 7.928 2.843 -10.565 617 1HB LEU 62 2HB LEU 62 9.483 5.292 -11.449 618 2HB LEU 62 3HB LEU 62 10.105 3.651 -11.441 619 HG LEU 62 HG LEU 62 7.608 4.414 -12.994 620 1HD1 LEU 62 2HD LEU 62 10.493 4.339 -13.956 621 2HD1 LEU 62 3HD LEU 62 9.080 4.567 -14.982 622 3HD1 LEU 62 1HD LEU 62 9.509 5.790 -13.793 623 1HD2 LEU 62 1HD LEU 62 9.595 2.118 -13.243 624 2HD2 LEU 62 2HD LEU 62 7.983 1.996 -12.549 625 3HD2 LEU 62 3HD LEU 62 8.175 2.359 -14.258 626 QB LEU 62 QB LEU 62 9.793 4.472 -11.446 627 QD1 LEU 62 QD1 LEU 62 9.695 4.899 -14.244 628 QD2 LEU 62 QD2 LEU 62 8.584 2.158 -13.350 629 QQD LEU 62 QQD LEU 62 9.139 3.528 -13.797 630 H ALA 63 HN ALA 63 8.836 6.034 -9.314 631 HA ALA 63 HA ALA 63 10.687 4.993 -7.344 632 1HB ALA 63 2HB ALA 63 9.340 7.702 -7.538 633 2HB ALA 63 3HB ALA 63 10.694 7.321 -6.477 634 3HB ALA 63 1HB ALA 63 10.902 7.272 -8.225 635 QB ALA 63 QB ALA 63 10.312 7.431 -7.413 636 H VAL 64 HN VAL 64 7.508 4.650 -7.413 637 HA VAL 64 HA VAL 64 7.077 4.788 -4.438 638 HB VAL 64 HB VAL 64 4.971 4.261 -6.587 639 1HG1 VAL 64 2HG VAL 64 4.446 3.687 -4.228 640 2HG1 VAL 64 3HG VAL 64 4.754 5.356 -3.764 641 3HG1 VAL 64 1HG VAL 64 3.414 4.974 -4.839 642 1HG2 VAL 64 1HG VAL 64 6.000 6.450 -7.100 643 2HG2 VAL 64 2HG VAL 64 4.355 6.650 -6.508 644 3HG2 VAL 64 3HG VAL 64 5.718 6.976 -5.445 645 QG1 VAL 64 QG1 VAL 64 4.205 4.672 -4.277 646 QG2 VAL 64 QG2 VAL 64 5.358 6.692 -6.351 647 QQG VAL 64 QQG VAL 64 4.781 5.681 -5.314 648 H GLU 65 HN GLU 65 6.568 2.895 -7.372 649 HA GLU 65 HA GLU 65 5.928 0.404 -6.207 650 1HB GLU 65 2HB GLU 65 7.713 0.954 -8.634 651 2HB GLU 65 3HB GLU 65 6.931 -0.584 -8.277 652 1HG GLU 65 2HG GLU 65 4.701 0.522 -8.407 653 2HG GLU 65 3HG GLU 65 5.476 2.048 -8.789 654 QB GLU 65 QB GLU 65 7.322 0.185 -8.456 655 QG GLU 65 QG GLU 65 5.089 1.284 -8.598 656 H ASP 66 HN ASP 66 8.870 2.142 -6.748 657 HA ASP 66 HA ASP 66 10.918 0.561 -5.782 658 1HB ASP 66 2HB ASP 66 11.176 2.917 -6.556 659 2HB ASP 66 3HB ASP 66 10.381 3.486 -5.097 660 QB ASP 66 QB ASP 66 10.778 3.201 -5.827 661 H PHE 67 HN PHE 67 9.105 2.833 -3.684 662 HA PHE 67 HA PHE 67 9.823 1.918 -1.164 663 1HB PHE 67 2HB PHE 67 8.314 3.814 -1.359 664 2HB PHE 67 3HB PHE 67 7.072 2.808 -2.079 665 HD1 PHE 67 1HD PHE 67 6.040 0.956 -0.715 666 HD2 PHE 67 2HD PHE 67 8.510 3.907 1.105 667 HE1 PHE 67 1HE PHE 67 5.257 0.241 1.494 668 HE2 PHE 67 2HE PHE 67 7.735 3.178 3.321 669 HZ PHE 67 HZ PHE 67 6.129 1.327 3.534 670 QB PHE 67 QB PHE 67 7.693 3.311 -1.719 671 QR PHE 67 QR PHE 67 6.885 2.070 1.301 672 H LEU 68 HN LEU 68 7.212 0.681 -3.140 673 HA LEU 68 HA LEU 68 6.466 -1.412 -1.280 674 1HB LEU 68 2HB LEU 68 6.076 -1.382 -4.291 675 2HB LEU 68 3HB LEU 68 5.202 -2.385 -3.145 676 HG LEU 68 HG LEU 68 5.142 0.663 -3.121 677 1HD1 LEU 68 3HD LEU 68 4.101 -0.322 -5.162 678 2HD1 LEU 68 1HD LEU 68 3.099 -1.346 -4.143 679 3HD1 LEU 68 2HD LEU 68 2.898 0.403 -4.107 680 1HD2 LEU 68 2HD LEU 68 4.655 -0.452 -0.927 681 2HD2 LEU 68 3HD LEU 68 3.223 0.323 -1.588 682 3HD2 LEU 68 1HD LEU 68 3.422 -1.421 -1.712 683 QB LEU 68 QB LEU 68 5.639 -1.883 -3.717 684 QD1 LEU 68 QD1 LEU 68 3.366 -0.422 -4.471 685 QD2 LEU 68 QD2 LEU 68 3.767 -0.517 -1.409 686 QQD LEU 68 QQD LEU 68 3.567 -0.469 -2.940 687 H GLU 69 HN GLU 69 8.964 -1.312 -3.694 688 HA GLU 69 HA GLU 69 9.296 -4.249 -3.628 689 1HB GLU 69 2HB GLU 69 9.520 -2.820 -5.710 690 2HB GLU 69 3HB GLU 69 11.009 -2.186 -5.035 691 1HG GLU 69 2HG GLU 69 12.136 -4.219 -5.229 692 2HG GLU 69 3HG GLU 69 10.653 -5.172 -5.179 693 QB GLU 69 QB GLU 69 10.265 -2.503 -5.373 694 QG GLU 69 QG GLU 69 11.394 -4.695 -5.205 695 H GLN 70 HN GLN 70 11.203 -1.389 -2.790 696 HA GLN 70 HA GLN 70 13.549 -2.515 -1.848 697 1HB GLN 70 2HB GLN 70 13.591 -0.651 -0.122 698 2HB GLN 70 3HB GLN 70 13.299 -0.115 -1.772 699 1HG GLN 70 2HG GLN 70 10.911 0.028 -1.350 700 2HG GLN 70 3HG GLN 70 11.092 -0.681 0.237 701 1HE2 GLN 70 2HE GLN 70 12.065 3.232 -0.335 702 2HE2 GLN 70 1HE GLN 70 11.887 2.221 -1.692 703 QB GLN 70 QB GLN 70 13.445 -0.384 -0.947 704 QG GLN 70 QG GLN 70 11.001 -0.327 -0.556 705 QE2 GLN 70 QE2 GLN 70 11.975 2.727 -1.013 706 H ASN 71 HN ASN 71 10.424 -2.614 -0.268 707 HA ASN 71 HA ASN 71 11.570 -4.344 1.864 708 1HB ASN 71 2HB ASN 71 9.422 -3.548 3.116 709 2HB ASN 71 3HB ASN 71 10.774 -2.431 3.004 710 1HD2 ASN 71 2HD ASN 71 8.688 -0.064 1.442 711 2HD2 ASN 71 1HD ASN 71 9.914 -0.359 2.570 712 QB ASN 71 QB ASN 71 10.099 -2.989 3.059 713 QD2 ASN 71 QD2 ASN 71 9.301 -0.211 2.006 714 H GLU 72 HN GLU 72 10.871 -5.114 -0.676 715 HA GLU 72 HA GLU 72 9.223 -6.278 -1.976 716 1HB GLU 72 2HB GLU 72 10.182 -8.237 0.120 717 2HB GLU 72 3HB GLU 72 9.794 -8.579 -1.560 718 1HG GLU 72 2HG GLU 72 11.646 -6.972 -2.227 719 2HG GLU 72 3HG GLU 72 12.093 -6.881 -0.524 720 QB GLU 72 QB GLU 72 9.988 -8.408 -0.719 721 QG GLU 72 QG GLU 72 11.869 -6.927 -1.375 722 H LEU 73 HN LEU 73 7.312 -5.077 -0.988 723 HA LEU 73 HA LEU 73 5.722 -6.648 0.892 724 1HB LEU 73 2HB LEU 73 4.935 -4.280 -0.838 725 2HB LEU 73 3HB LEU 73 4.034 -4.914 0.518 726 HG LEU 73 HG LEU 73 6.800 -3.724 0.661 727 1HD1 LEU 73 3HD LEU 73 4.992 -2.069 0.277 728 2HD1 LEU 73 1HD LEU 73 4.119 -2.705 1.665 729 3HD1 LEU 73 2HD LEU 73 5.665 -1.898 1.892 730 1HD2 LEU 73 1HD LEU 73 6.418 -5.504 2.363 731 2HD2 LEU 73 2HD LEU 73 6.568 -3.919 3.088 732 3HD2 LEU 73 3HD LEU 73 4.975 -4.649 2.905 733 QB LEU 73 QB LEU 73 4.484 -4.598 -0.160 734 QD1 LEU 73 QD1 LEU 73 4.925 -2.224 1.278 735 QD2 LEU 73 QD2 LEU 73 5.987 -4.691 2.785 736 QQD LEU 73 QQD LEU 73 5.456 -3.457 2.031 737 H GLN 74 HN GLN 74 3.306 -6.868 0.123 738 HA GLN 74 HA GLN 74 3.450 -8.597 -2.305 739 1HB GLN 74 2HB GLN 74 1.196 -8.339 -0.285 740 2HB GLN 74 3HB GLN 74 1.443 -9.630 -1.460 741 1HG GLN 74 2HG GLN 74 3.862 -9.580 -0.060 742 2HG GLN 74 3HG GLN 74 2.670 -9.242 1.193 743 1HE2 GLN 74 2HE GLN 74 1.008 -12.490 0.010 744 2HE2 GLN 74 1HE GLN 74 0.572 -10.881 -0.320 745 QB GLN 74 QB GLN 74 1.319 -8.985 -0.872 746 QG GLN 74 QG GLN 74 3.266 -9.411 0.567 747 QE2 GLN 74 QE2 GLN 74 0.790 -11.687 -0.156 748 OH TYR 75 OH TYR 75 7.658 -5.860 -6.919 749 H TYR 75 HN TYR 75 3.665 -6.482 -3.395 750 HA TYR 75 HA TYR 75 1.086 -5.030 -3.704 751 1HB TYR 75 2HB TYR 75 2.441 -3.301 -4.811 752 2HB TYR 75 3HB TYR 75 3.160 -3.725 -3.262 753 HD1 TYR 75 HD1 TYR 75 5.213 -5.138 -3.186 754 HD2 TYR 75 HD2 TYR 75 3.595 -3.860 -6.911 755 HE1 TYR 75 HE1 TYR 75 7.222 -5.919 -4.326 756 HE2 TYR 75 HE2 TYR 75 5.633 -4.614 -8.049 757 HH TYR 75 HH TYR 75 8.335 -5.162 -7.014 758 QB TYR 75 QB TYR 75 2.800 -3.513 -4.037 759 QR TYR 75 QR TYR 75 5.415 -4.883 -5.618 760 H GLU 76 HN GLU 76 0.395 -4.402 -5.832 761 HA GLU 76 HA GLU 76 1.341 -5.694 -8.239 762 1HB GLU 76 2HB GLU 76 -0.488 -7.258 -8.613 763 2HB GLU 76 3HB GLU 76 0.186 -7.623 -7.034 764 1HG GLU 76 2HG GLU 76 -1.579 -6.214 -5.980 765 2HG GLU 76 3HG GLU 76 -2.276 -5.943 -7.573 766 QB GLU 76 QB GLU 76 -0.150 -7.441 -7.824 767 QG GLU 76 QG GLU 76 -1.927 -6.078 -6.776 768 H VAL 77 HN VAL 77 -0.844 -5.565 -9.825 769 HA VAL 77 HA VAL 77 -1.982 -2.825 -9.428 770 HB VAL 77 HB VAL 77 -1.100 -4.069 -12.078 771 1HG1 VAL 77 1HG VAL 77 -2.109 -1.283 -11.381 772 2HG1 VAL 77 2HG VAL 77 -1.347 -1.700 -12.912 773 3HG1 VAL 77 3HG VAL 77 -2.866 -2.448 -12.472 774 1HG2 VAL 77 1HG VAL 77 0.233 -1.914 -10.388 775 2HG2 VAL 77 2HG VAL 77 0.858 -3.533 -10.685 776 3HG2 VAL 77 3HG VAL 77 0.740 -2.381 -12.009 777 QG1 VAL 77 QG1 VAL 77 -2.107 -1.810 -12.255 778 QG2 VAL 77 QG2 VAL 77 0.610 -2.610 -11.027 779 QQG VAL 77 QQG VAL 77 -0.749 -2.209 -11.641 780 H LEU 78 HN LEU 78 -3.935 -2.702 -11.227 781 HA LEU 78 HA LEU 78 -5.768 -4.804 -10.427 782 1HB LEU 78 2HB LEU 78 -6.186 -2.674 -12.546 783 2HB LEU 78 3HB LEU 78 -7.433 -3.614 -11.739 784 HG LEU 78 HG LEU 78 -5.588 -1.552 -10.454 785 1HD1 LEU 78 1HD LEU 78 -8.599 -1.700 -10.813 786 2HD1 LEU 78 2HD LEU 78 -7.743 -0.428 -9.953 787 3HD1 LEU 78 3HD LEU 78 -7.511 -0.624 -11.688 788 1HD2 LEU 78 3HD LEU 78 -7.626 -3.416 -9.185 789 2HD2 LEU 78 1HD LEU 78 -5.891 -3.399 -8.875 790 3HD2 LEU 78 2HD LEU 78 -6.888 -2.047 -8.365 791 QB LEU 78 QB LEU 78 -6.810 -3.143 -12.142 792 QD1 LEU 78 QD1 LEU 78 -7.951 -0.917 -10.818 793 QD2 LEU 78 QD2 LEU 78 -6.802 -2.954 -8.808 794 QQD LEU 78 QQD LEU 78 -7.377 -1.935 -9.813 795 H ILE 79 HN ILE 79 -4.243 -6.424 -11.299 796 HA ILE 79 HA ILE 79 -3.979 -6.861 -14.111 797 HB ILE 79 HB ILE 79 -3.704 -9.359 -13.093 798 1HG1 ILE 79 2HG ILE 79 -2.748 -9.296 -10.843 799 2HG1 ILE 79 3HG ILE 79 -3.046 -7.581 -10.721 800 1HG2 ILE 79 3HG ILE 79 -1.723 -7.083 -12.772 801 2HG2 ILE 79 1HG ILE 79 -1.308 -8.794 -12.774 802 3HG2 ILE 79 2HG ILE 79 -1.957 -8.046 -14.230 803 1HD1 ILE 79 2HD ILE 79 -5.182 -9.732 -10.979 804 2HD1 ILE 79 3HD ILE 79 -4.767 -8.865 -9.505 805 3HD1 ILE 79 1HD ILE 79 -5.505 -8.009 -10.854 806 QG1 ILE 79 QG1 ILE 79 -2.898 -8.438 -10.782 807 QG2 ILE 79 QG2 ILE 79 -1.662 -7.975 -13.259 808 QD1 ILE 79 QD1 ILE 79 -5.151 -8.869 -10.446 809 H ASN 80 HN ASN 80 -6.084 -6.456 -14.851 810 HA ASN 80 HA ASN 80 -7.927 -7.460 -16.020 811 1HB ASN 80 2HB ASN 80 -7.106 -9.797 -15.479 812 2HB ASN 80 3HB ASN 80 -7.899 -9.665 -13.915 813 1HD2 ASN 80 2HD ASN 80 -11.216 -9.559 -15.518 814 2HD2 ASN 80 1HD ASN 80 -10.383 -8.614 -14.391 815 QB ASN 80 QB ASN 80 -7.503 -9.731 -14.696 816 QD2 ASN 80 QD2 ASN 80 -10.799 -9.086 -14.955 817 H ASN 81 HN ASN 81 -7.826 -7.843 -12.555 818 HA ASN 81 HA ASN 81 -10.316 -6.215 -12.303 819 1HB ASN 81 2HB ASN 81 -9.478 -8.563 -10.549 820 2HB ASN 81 3HB ASN 81 -10.943 -7.604 -10.369 821 1HD2 ASN 81 ASN 81 -11.057 -10.742 -12.799 822 2HD2 ASN 81 1HD ASN 81 -9.869 -10.501 -11.613 823 QB ASN 81 QB ASN 81 -10.211 -8.084 -10.459 824 QD2 ASN 81 QD2 ASN 81 -10.463 -10.622 -12.206 Start of MODEL 17 Raw file had 824 H/Q atoms Start of MODEL 17 1 1H HIS 1 HN1 HIS 1 7.207 14.180 -6.823 2 2H HIS 1 HN2 HIS 1 5.857 13.704 -7.654 3 3H HIS 1 HN3 HIS 1 6.887 14.818 -8.317 4 HA HIS 1 HA HIS 1 5.751 16.459 -7.441 5 1HB HIS 1 2HB HIS 1 3.884 14.798 -7.627 6 2HB HIS 1 3HB HIS 1 4.169 14.341 -5.970 7 HD1 HIS 1 HD1 HIS 1 4.015 16.473 -4.305 8 HD2 HIS 1 HD2 HIS 1 1.935 16.804 -7.841 9 HE1 HIS 1 HE1 HIS 1 2.251 18.238 -3.936 10 QB HIS 1 QB HIS 1 4.026 14.570 -6.799 11 H HIS 2 HN HIS 2 8.012 16.338 -6.369 12 HA HIS 2 HA HIS 2 7.679 17.019 -3.487 13 1HB HIS 2 2HB HIS 2 9.990 15.723 -3.265 14 2HB HIS 2 3HB HIS 2 8.471 14.877 -3.100 15 HD1 HIS 2 HD1 HIS 2 7.824 13.268 -4.950 16 HD2 HIS 2 HD2 HIS 2 11.415 15.151 -5.759 17 HE1 HIS 2 HE1 HIS 2 8.724 12.241 -7.043 18 QB HIS 2 QB HIS 2 9.231 15.300 -3.183 19 H SER 3 HN SER 3 7.866 18.590 -5.681 20 HA SER 3 HA SER 3 9.050 20.798 -5.700 21 1HB SER 3 2HB SER 3 11.508 18.986 -5.818 22 2HB SER 3 3HB SER 3 11.534 20.704 -6.254 23 HG SER 3 HG SER 3 11.157 19.491 -3.778 24 QB SER 3 QB SER 3 11.521 19.845 -6.036 25 H GLY 4 HN GLY 4 9.443 17.795 -7.392 26 1HA GLY 4 1HA GLY 4 8.936 19.168 -9.996 27 2HA GLY 4 2HA GLY 4 10.182 17.925 -9.881 28 QA GLY 4 QA GLY 4 9.559 18.547 -9.938 29 H GLU 5 HN GLU 5 8.088 17.513 -11.647 30 HA GLU 5 HA GLU 5 6.266 15.632 -10.209 31 1HB GLU 5 2HB GLU 5 5.935 16.987 -12.911 32 2HB GLU 5 3HB GLU 5 4.794 15.844 -12.215 33 1HG GLU 5 2HG GLU 5 5.556 18.566 -11.093 34 2HG GLU 5 3HG GLU 5 3.983 18.078 -11.713 35 QB GLU 5 QB GLU 5 5.365 16.415 -12.563 36 QG GLU 5 QG GLU 5 4.769 18.322 -11.403 37 H HIS 6 HN HIS 6 5.662 13.687 -11.329 38 HA HIS 6 HA HIS 6 7.976 12.545 -12.849 39 1HB HIS 6 2HB HIS 6 6.018 11.362 -10.898 40 2HB HIS 6 3HB HIS 6 6.979 10.358 -11.935 41 HD1 HIS 6 HD1 HIS 6 7.694 9.683 -9.452 42 HD2 HIS 6 HD2 HIS 6 9.289 13.200 -10.833 43 HE1 HIS 6 HE1 HIS 6 9.738 10.137 -8.039 44 QB HIS 6 QB HIS 6 6.498 10.860 -11.417 45 H PHE 7 HN PHE 7 7.146 10.382 -14.012 46 HA PHE 7 HA PHE 7 4.762 11.231 -15.612 47 1HB PHE 7 2HB PHE 7 6.772 11.633 -16.946 48 2HB PHE 7 3HB PHE 7 7.336 9.995 -16.652 49 HD1 PHE 7 2HD PHE 7 3.717 10.499 -17.211 50 HD2 PHE 7 1HD PHE 7 7.441 9.640 -19.113 51 HE1 PHE 7 2HE PHE 7 2.526 9.717 -19.201 52 HE2 PHE 7 1HE PHE 7 6.235 8.863 -21.099 53 HZ PHE 7 HZ PHE 7 3.781 8.902 -21.151 54 QB PHE 7 QB PHE 7 7.054 10.814 -16.800 55 QR PHE 7 QR PHE 7 4.980 9.680 -19.156 56 H GLU 8 HN GLU 8 6.851 8.354 -15.517 57 HA GLU 8 HA GLU 8 6.237 6.095 -15.777 58 1HB GLU 8 2HB GLU 8 4.667 7.033 -13.365 59 2HB GLU 8 3HB GLU 8 4.952 5.334 -13.749 60 1HG GLU 8 2HG GLU 8 6.782 5.708 -12.382 61 2HG GLU 8 3HG GLU 8 7.492 6.245 -13.902 62 QB GLU 8 QB GLU 8 4.809 6.183 -13.557 63 QG GLU 8 QG GLU 8 7.136 5.976 -13.142 64 H GLY 9 HN GLY 9 3.120 7.253 -14.574 65 1HA GLY 9 1HA GLY 9 1.383 7.435 -16.543 66 2HA GLY 9 2HA GLY 9 1.778 5.728 -16.749 67 QA GLY 9 QA GLY 9 1.580 6.581 -16.646 68 H GLU 10 HN GLU 10 -0.716 7.180 -15.907 69 HA GLU 10 HA GLU 10 -1.303 6.799 -13.174 70 1HB GLU 10 2HB GLU 10 -3.083 6.664 -15.627 71 2HB GLU 10 3HB GLU 10 -3.716 6.584 -13.999 72 1HG GLU 10 2HG GLU 10 -2.211 8.822 -13.735 73 2HG GLU 10 3HG GLU 10 -2.521 8.901 -15.466 74 QB GLU 10 QB GLU 10 -3.400 6.624 -14.812 75 QG GLU 10 QG GLU 10 -2.366 8.862 -14.600 76 H LYS 11 HN LYS 11 -0.585 4.870 -12.335 77 HA LYS 11 HA LYS 11 -1.762 2.370 -13.486 78 1HB LYS 11 2HB LYS 11 0.566 2.816 -11.574 79 2HB LYS 11 3HB LYS 11 -0.008 1.232 -12.069 80 1HG LYS 11 2HG LYS 11 0.784 1.476 -14.258 81 2HG LYS 11 3HG LYS 11 0.716 3.230 -14.202 82 1HD LYS 11 2HD LYS 11 3.054 2.506 -14.148 83 2HD LYS 11 3HD LYS 11 2.634 3.248 -12.612 84 1HE LYS 11 2HE LYS 11 2.195 0.924 -11.704 85 2HE LYS 11 3HE LYS 11 2.818 0.278 -13.216 86 1HZ LYS 11 3HZ LYS 11 4.701 2.127 -12.224 87 2HZ LYS 11 1HZ LYS 11 4.246 1.116 -10.941 88 3HZ LYS 11 2HZ LYS 11 4.850 0.444 -12.374 89 QB LYS 11 QB LYS 11 0.279 2.024 -11.822 90 QG LYS 11 QG LYS 11 0.750 2.353 -14.230 91 QD LYS 11 QD LYS 11 2.844 2.878 -13.379 92 QE LYS 11 QE LYS 11 2.507 0.601 -12.459 93 QZ LYS 11 QZ LYS 11 4.599 1.229 -11.846 94 H VAL 12 HN VAL 12 -2.638 0.818 -11.941 95 HA VAL 12 HA VAL 12 -3.707 2.139 -9.470 96 HB VAL 12 HB VAL 12 -4.944 -0.178 -11.025 97 1HG1 VAL 12 3HG VAL 12 -5.536 -0.048 -8.604 98 2HG1 VAL 12 1HG VAL 12 -6.066 1.615 -8.832 99 3HG1 VAL 12 2HG VAL 12 -6.926 0.300 -9.629 100 1HG2 VAL 12 2HG VAL 12 -5.693 2.777 -11.026 101 2HG2 VAL 12 3HG VAL 12 -4.989 1.897 -12.379 102 3HG2 VAL 12 1HG VAL 12 -6.607 1.495 -11.814 103 QG1 VAL 12 QG1 VAL 12 -6.176 0.623 -9.022 104 QG2 VAL 12 QG2 VAL 12 -5.763 2.057 -11.740 105 QQG VAL 12 QQG VAL 12 -5.969 1.340 -10.381 106 H PHE 13 HN PHE 13 -3.441 0.930 -7.544 107 HA PHE 13 HA PHE 13 -1.776 -1.543 -7.867 108 1HB PHE 13 2HB PHE 13 -1.504 0.700 -5.847 109 2HB PHE 13 3HB PHE 13 -0.694 -0.847 -5.677 110 HD1 PHE 13 1HD PHE 13 -1.077 1.867 -8.284 111 HD2 PHE 13 2HD PHE 13 1.490 -1.003 -6.439 112 HE1 PHE 13 1HE PHE 13 0.837 2.761 -9.530 113 HE2 PHE 13 2HE PHE 13 3.397 -0.095 -7.690 114 HZ PHE 13 HZ PHE 13 3.080 1.789 -9.224 115 QB PHE 13 QB PHE 13 -1.100 -0.074 -5.762 116 QR PHE 13 QR PHE 13 1.161 0.882 -7.986 117 NH1 ARG 14 NH1 ARG 14 -8.425 -5.906 -2.969 118 NH2 ARG 14 NH2 ARG 14 -8.130 -7.767 -4.219 119 H ARG 14 HN ARG 14 -1.884 -3.043 -6.211 120 HA ARG 14 HA ARG 14 -4.051 -2.824 -4.205 121 1HB ARG 14 2HB ARG 14 -5.214 -4.016 -5.907 122 2HB ARG 14 3HB ARG 14 -3.781 -4.939 -6.352 123 1HG ARG 14 2HG ARG 14 -3.881 -6.242 -4.327 124 2HG ARG 14 3HG ARG 14 -5.089 -5.166 -3.624 125 1HD ARG 14 2HD ARG 14 -5.741 -6.487 -6.241 126 2HD ARG 14 3HD ARG 14 -5.787 -7.475 -4.788 127 HE ARG 14 HE ARG 14 -7.455 -4.973 -5.172 128 1HH1 ARG 14 2HH ARG 14 -8.273 -4.922 -2.848 129 2HH1 ARG 14 1HH ARG 14 -8.933 -6.421 -2.275 130 1HH2 ARG 14 2HH ARG 14 -7.743 -8.204 -5.046 131 2HH2 ARG 14 1HH ARG 14 -8.644 -8.318 -3.568 132 QB ARG 14 QB ARG 14 -4.497 -4.478 -6.129 133 QG ARG 14 QG ARG 14 -4.485 -5.705 -3.975 134 QD ARG 14 QD ARG 14 -5.764 -6.982 -5.515 135 QH1 ARG 14 QH1 ARG 14 -8.603 -5.672 -2.562 136 QH2 ARG 14 QH2 ARG 14 -8.193 -8.261 -4.306 137 H VAL 15 HN VAL 15 -3.306 -3.628 -2.253 138 HA VAL 15 HA VAL 15 -0.697 -5.131 -2.343 139 HB VAL 15 HB VAL 15 -1.705 -3.589 0.064 140 1HG1 VAL 15 3HG VAL 15 0.212 -5.144 0.348 141 2HG1 VAL 15 1HG VAL 15 1.081 -4.300 -0.926 142 3HG1 VAL 15 2HG VAL 15 0.709 -3.472 0.584 143 1HG2 VAL 15 3HG VAL 15 -0.076 -2.452 -2.240 144 2HG2 VAL 15 1HG VAL 15 -1.721 -1.987 -1.811 145 3HG2 VAL 15 2HG VAL 15 -0.390 -1.630 -0.713 146 QG1 VAL 15 QG1 VAL 15 0.668 -4.305 0.002 147 QG2 VAL 15 QG2 VAL 15 -0.729 -2.023 -1.588 148 QQG VAL 15 QQG VAL 15 -0.030 -3.164 -0.793 149 H ASN 16 HN ASN 16 -0.747 -7.172 -1.504 150 HA ASN 16 HA ASN 16 -3.234 -7.968 -0.051 151 1HB ASN 16 2HB ASN 16 -2.643 -9.263 -2.094 152 2HB ASN 16 3HB ASN 16 -1.116 -9.717 -1.347 153 1HD2 ASN 16 2HD ASN 16 -2.711 -12.480 0.145 154 2HD2 ASN 16 1HD ASN 16 -1.327 -11.862 -0.625 155 QB ASN 16 QB ASN 16 -1.879 -9.491 -1.721 156 QD2 ASN 16 QD2 ASN 16 -2.019 -12.171 -0.240 157 H VAL 17 HN VAL 17 -2.065 -6.659 1.721 158 HA VAL 17 HA VAL 17 0.171 -7.111 3.033 159 HB VAL 17 HB VAL 17 -1.300 -6.525 5.000 160 1HG1 VAL 17 2HG VAL 17 -1.601 -4.905 2.488 161 2HG1 VAL 17 3HG VAL 17 -1.873 -4.293 4.116 162 3HG1 VAL 17 1HG VAL 17 -0.264 -4.798 3.624 163 1HG2 VAL 17 2HG VAL 17 -3.354 -7.655 4.242 164 2HG2 VAL 17 3HG VAL 17 -3.611 -5.967 4.646 165 3HG2 VAL 17 1HG VAL 17 -3.488 -6.459 2.964 166 QG1 VAL 17 QG1 VAL 17 -1.246 -4.665 3.409 167 QG2 VAL 17 QG2 VAL 17 -3.485 -6.694 3.951 168 QQG VAL 17 QQG VAL 17 -2.365 -5.680 3.680 169 H GLU 18 HN GLU 18 0.996 -9.194 2.999 170 HA GLU 18 HA GLU 18 -0.121 -11.635 3.525 171 1HB GLU 18 2HB GLU 18 2.529 -10.431 4.259 172 2HB GLU 18 3HB GLU 18 2.122 -11.991 4.940 173 1HG GLU 18 2HG GLU 18 1.621 -12.794 2.578 174 2HG GLU 18 3HG GLU 18 2.304 -11.275 2.000 175 QB GLU 18 QB GLU 18 2.325 -11.211 4.599 176 QG GLU 18 QG GLU 18 1.963 -12.034 2.289 177 H ASP 19 HN ASP 19 1.099 -9.473 6.072 178 HA ASP 19 HA ASP 19 -0.971 -10.495 7.894 179 1HB ASP 19 2HB ASP 19 1.487 -11.696 8.093 180 2HB ASP 19 3HB ASP 19 1.699 -10.403 9.208 181 QB ASP 19 QB ASP 19 1.593 -11.050 8.650 182 H GLU 20 HN GLU 20 0.380 -9.553 10.121 183 HA GLU 20 HA GLU 20 -0.568 -6.866 10.289 184 1HB GLU 20 2HB GLU 20 1.353 -8.497 11.987 185 2HB GLU 20 3HB GLU 20 0.710 -6.951 12.463 186 1HG GLU 20 2HG GLU 20 -1.270 -9.021 11.605 187 2HG GLU 20 3HG GLU 20 -0.503 -9.241 13.169 188 QB GLU 20 QB GLU 20 1.032 -7.724 12.226 189 QG GLU 20 QG GLU 20 -0.887 -9.131 12.387 190 H ASN 21 HN ASN 21 2.688 -8.207 9.932 191 HA ASN 21 HA ASN 21 4.268 -5.910 10.051 192 1HB ASN 21 2HB ASN 21 5.154 -8.228 9.581 193 2HB ASN 21 3HB ASN 21 4.587 -8.071 7.919 194 1HD2 ASN 21 2HD ASN 21 7.203 -5.814 6.988 195 2HD2 ASN 21 1HD ASN 21 5.782 -6.621 6.504 196 QB ASN 21 QB ASN 21 4.871 -8.149 8.750 197 QD2 ASN 21 QD2 ASN 21 6.492 -6.218 6.746 198 H ASP 22 HN ASP 22 2.629 -7.199 7.197 199 HA ASP 22 HA ASP 22 3.294 -5.173 5.335 200 1HB ASP 22 2HB ASP 22 0.652 -6.676 5.524 201 2HB ASP 22 3HB ASP 22 1.329 -5.924 4.088 202 QB ASP 22 QB ASP 22 0.990 -6.300 4.806 203 H ILE 23 HN ILE 23 0.472 -5.466 7.446 204 HA ILE 23 HA ILE 23 -0.782 -3.039 6.655 205 HB ILE 23 HB ILE 23 -0.819 -4.425 9.368 206 1HG1 ILE 23 2HG ILE 23 -2.769 -4.593 7.041 207 2HG1 ILE 23 3HG ILE 23 -1.459 -5.733 7.251 208 1HG2 ILE 23 1HG ILE 23 -2.687 -2.381 8.098 209 2HG2 ILE 23 2HG ILE 23 -3.024 -3.242 9.594 210 3HG2 ILE 23 3HG ILE 23 -1.676 -2.118 9.511 211 1HD1 ILE 23 1HD ILE 23 -3.646 -5.244 9.298 212 2HD1 ILE 23 2HD ILE 23 -3.581 -6.597 8.183 213 3HD1 ILE 23 3HD ILE 23 -2.353 -6.430 9.428 214 QG1 ILE 23 QG1 ILE 23 -2.114 -5.163 7.146 215 QG2 ILE 23 QG2 ILE 23 -2.463 -2.581 9.067 216 QD1 ILE 23 QD1 ILE 23 -3.193 -6.091 8.969 217 H SER 24 HN SER 24 1.872 -3.728 8.773 218 HA SER 24 HA SER 24 2.021 -1.020 9.899 219 1HB SER 24 2HB SER 24 4.231 -3.137 9.854 220 2HB SER 24 3HB SER 24 4.070 -1.774 10.973 221 HG SER 24 HG SER 24 2.240 -3.950 10.656 222 QB SER 24 QB SER 24 4.150 -2.455 10.413 223 H GLU 25 HN GLU 25 4.395 -2.795 7.853 224 HA GLU 25 HA GLU 25 5.868 -0.599 6.981 225 1HB GLU 25 2HB GLU 25 5.299 -3.306 5.877 226 2HB GLU 25 3HB GLU 25 5.910 -2.139 4.719 227 1HG GLU 25 2HG GLU 25 7.771 -1.619 6.396 228 2HG GLU 25 3HG GLU 25 7.212 -3.006 7.325 229 QB GLU 25 QB GLU 25 5.604 -2.723 5.299 230 QG GLU 25 QG GLU 25 7.492 -2.313 6.861 231 H LEU 26 HN LEU 26 2.807 -1.795 5.682 232 HA LEU 26 HA LEU 26 2.698 -0.078 3.418 233 1HB LEU 26 2HB LEU 26 1.268 -2.043 3.629 234 2HB LEU 26 3HB LEU 26 0.589 -1.448 5.134 235 HG LEU 26 HG LEU 26 -0.223 0.538 3.864 236 1HD1 LEU 26 3HD LEU 26 0.485 -1.206 1.470 237 2HD1 LEU 26 1HD LEU 26 -0.452 0.283 1.387 238 3HD1 LEU 26 2HD LEU 26 1.236 0.335 1.871 239 1HD2 LEU 26 2HD LEU 26 -1.261 -2.194 3.043 240 2HD2 LEU 26 3HD LEU 26 -1.712 -1.316 4.502 241 3HD2 LEU 26 1HD LEU 26 -2.178 -0.697 2.919 242 QB LEU 26 QB LEU 26 0.929 -1.746 4.381 243 QD1 LEU 26 QD1 LEU 26 0.424 -0.196 1.576 244 QD2 LEU 26 QD2 LEU 26 -1.717 -1.402 3.488 245 QQD LEU 26 QQD LEU 26 -0.647 -0.799 2.532 246 H HIS 27 HN HIS 27 1.276 0.148 6.696 247 HA HIS 27 HA HIS 27 0.216 2.758 6.511 248 1HB HIS 27 2HB HIS 27 1.263 1.065 8.716 249 2HB HIS 27 3HB HIS 27 1.155 2.762 9.064 250 HD1 HIS 27 HD1 HIS 27 -0.765 2.630 10.600 251 HD2 HIS 27 HD2 HIS 27 -1.682 0.832 7.012 252 HE1 HIS 27 HE1 HIS 27 -3.231 2.127 10.657 253 QB HIS 27 QB HIS 27 1.209 1.914 8.890 254 H GLU 28 HN GLU 28 3.496 1.696 7.106 255 HA GLU 28 HA GLU 28 4.712 4.094 7.865 256 1HB GLU 28 2HB GLU 28 5.467 1.479 7.063 257 2HB GLU 28 3HB GLU 28 6.404 2.572 6.083 258 1HG GLU 28 2HG GLU 28 7.627 2.132 8.146 259 2HG GLU 28 3HG GLU 28 7.032 3.790 8.229 260 QB GLU 28 QB GLU 28 5.936 2.026 6.574 261 QG GLU 28 QG GLU 28 7.330 2.960 8.187 262 H LEU 29 HN LEU 29 3.864 2.957 4.616 263 HA LEU 29 HA LEU 29 5.341 4.946 3.181 264 1HB LEU 29 2HB LEU 29 4.340 2.947 2.109 265 2HB LEU 29 3HB LEU 29 2.733 3.587 2.416 266 HG LEU 29 HG LEU 29 3.130 5.478 0.919 267 1HD1 LEU 29 3HD LEU 29 5.935 4.335 0.584 268 2HD1 LEU 29 1HD LEU 29 5.261 5.659 -0.360 269 3HD1 LEU 29 2HD LEU 29 5.534 5.864 1.364 270 1HD2 LEU 29 2HD LEU 29 4.069 2.851 -0.290 271 2HD2 LEU 29 3HD LEU 29 2.394 3.354 -0.092 272 3HD2 LEU 29 1HD LEU 29 3.449 4.223 -1.205 273 QB LEU 29 QB LEU 29 3.537 3.267 2.263 274 QD1 LEU 29 QD1 LEU 29 5.577 5.286 0.529 275 QD2 LEU 29 QD2 LEU 29 3.304 3.476 -0.529 276 QQD LEU 29 QQD LEU 29 4.440 4.382 0.000 277 H ALA 30 HN ALA 30 2.415 5.133 5.011 278 HA ALA 30 HA ALA 30 1.580 7.694 3.784 279 1HB ALA 30 1HB ALA 30 0.520 6.227 6.237 280 2HB ALA 30 2HB ALA 30 -0.222 7.643 5.496 281 3HB ALA 30 3HB ALA 30 -0.151 6.121 4.612 282 QB ALA 30 QB ALA 30 0.049 6.664 5.449 283 H SER 31 HN SER 31 4.108 6.991 5.465 284 HA SER 31 HA SER 31 3.963 9.202 7.453 285 1HB SER 31 2HB SER 31 4.861 6.827 8.001 286 2HB SER 31 3HB SER 31 6.271 7.263 7.020 287 HG SER 31 HG SER 31 5.740 7.983 9.516 288 QB SER 31 QB SER 31 5.566 7.045 7.511 289 H THR 32 HN THR 32 5.087 8.410 4.335 290 HA THR 32 HA THR 32 6.705 10.933 4.230 291 HB THR 32 HB THR 32 8.141 9.658 2.496 292 HG1 THR 32 1HG THR 32 7.329 7.296 3.656 293 1HG2 THR 32 2HG THR 32 8.027 8.446 5.307 294 2HG2 THR 32 3HG THR 32 9.390 8.337 4.195 295 3HG2 THR 32 1HG THR 32 8.937 9.891 4.887 296 QG2 THR 32 QG2 THR 32 8.784 8.891 4.796 297 NH1 ARG 33 NH2 ARG 33 1.544 9.921 -4.374 298 NH2 ARG 33 NH1 ARG 33 2.685 8.302 -5.524 299 H ARG 33 HN ARG 33 5.256 8.459 2.130 300 HA ARG 33 HA ARG 33 4.459 10.665 0.261 301 1HB ARG 33 2HB ARG 33 5.888 8.535 -0.451 302 2HB ARG 33 3HB ARG 33 4.310 7.759 -0.506 303 1HG ARG 33 2HG ARG 33 3.726 10.066 -1.835 304 2HG ARG 33 3HG ARG 33 5.429 9.923 -2.238 305 1HD ARG 33 2HD ARG 33 4.767 8.529 -3.902 306 2HD ARG 33 3HD ARG 33 4.472 7.332 -2.645 307 HE ARG 33 HE ARG 33 2.095 8.094 -2.581 308 1HH1 ARG 33 2HH ARG 33 1.320 10.349 -3.493 309 2HH1 ARG 33 1HH ARG 33 1.197 10.330 -5.224 310 1HH2 ARG 33 2HH ARG 33 3.341 7.532 -5.513 311 2HH2 ARG 33 1HH ARG 33 2.339 8.649 -6.409 312 QB ARG 33 QB ARG 33 5.099 8.146 -0.478 313 QG ARG 33 QG ARG 33 4.577 9.995 -2.036 314 QD ARG 33 QD ARG 33 4.619 7.930 -3.274 315 QH1 ARG 33 QH2 ARG 33 1.259 10.340 -4.359 316 QH2 ARG 33 QH1 ARG 33 2.840 8.090 -5.961 317 H GLN 34 HN GLN 34 2.752 11.021 1.925 318 HA GLN 34 HA GLN 34 0.666 9.283 2.554 319 1HB GLN 34 2HB GLN 34 0.610 11.443 3.559 320 2HB GLN 34 3HB GLN 34 0.735 12.259 2.008 321 1HG GLN 34 2HG GLN 34 -1.541 12.489 2.876 322 2HG GLN 34 3HG GLN 34 -1.566 11.495 1.428 323 1HE2 GLN 34 2HE GLN 34 -3.390 9.956 4.482 324 2HE2 GLN 34 1HE GLN 34 -3.304 11.594 4.039 325 QB GLN 34 QB GLN 34 0.673 11.852 2.784 326 QG GLN 34 QG GLN 34 -1.553 11.992 2.152 327 QE2 GLN 34 QE2 GLN 34 -3.347 10.775 4.260 328 H ILE 35 HN ILE 35 -1.175 8.524 1.509 329 HA ILE 35 HA ILE 35 -1.700 9.455 -1.262 330 HB ILE 35 HB ILE 35 -1.898 6.497 -0.985 331 1HG1 ILE 35 2HG ILE 35 0.823 7.820 -1.229 332 2HG1 ILE 35 3HG ILE 35 0.272 6.950 0.195 333 1HG2 ILE 35 1HG ILE 35 -2.340 7.770 -3.102 334 2HG2 ILE 35 2HG ILE 35 -0.678 8.344 -3.086 335 3HG2 ILE 35 3HG ILE 35 -1.021 6.635 -3.301 336 1HD1 ILE 35 3HD ILE 35 -0.032 4.895 -1.185 337 2HD1 ILE 35 1HD ILE 35 0.586 5.760 -2.590 338 3HD1 ILE 35 2HD ILE 35 1.631 5.464 -1.211 339 QG1 ILE 35 QG1 ILE 35 0.548 7.385 -0.517 340 QG2 ILE 35 QG2 ILE 35 -1.347 7.583 -3.163 341 QD1 ILE 35 QD1 ILE 35 0.728 5.373 -1.662 342 H ASP 36 HN ASP 36 -3.679 7.914 -2.015 343 HA ASP 36 HA ASP 36 -5.694 8.078 0.175 344 1HB ASP 36 2HB ASP 36 -7.309 8.445 -1.828 345 2HB ASP 36 3HB ASP 36 -6.254 9.777 -1.394 346 QB ASP 36 QB ASP 36 -6.781 9.112 -1.611 347 H PHE 37 HN PHE 37 -6.918 6.274 0.560 348 HA PHE 37 HA PHE 37 -6.386 3.923 -1.217 349 1HB PHE 37 2HB PHE 37 -7.228 4.100 1.701 350 2HB PHE 37 3HB PHE 37 -7.313 2.601 0.774 351 HD1 PHE 37 1HD PHE 37 -4.902 5.365 1.582 352 HD2 PHE 37 2HD PHE 37 -5.377 1.233 0.656 353 HE1 PHE 37 1HE PHE 37 -2.493 5.018 1.874 354 HE2 PHE 37 2HE PHE 37 -2.965 0.885 0.984 355 HZ PHE 37 HZ PHE 37 -1.515 2.779 1.600 356 QB PHE 37 QB PHE 37 -7.271 3.351 1.238 357 QR PHE 37 QR PHE 37 -3.934 3.125 1.274 358 CH2 TRP 38 CH2 TRP 38 -9.474 6.767 -7.997 359 H TRP 38 HN TRP 38 -8.150 2.804 -2.060 360 HA TRP 38 HA TRP 38 -10.730 4.317 -1.883 361 1HB TRP 38 2HB TRP 38 -9.525 2.706 -4.134 362 2HB TRP 38 3HB TRP 38 -11.137 3.358 -4.169 363 HD1 TRP 38 HD1 TRP 38 -8.660 5.778 -2.638 364 HE1 TRP 38 HE1 TRP 38 -7.982 7.539 -4.235 365 HE3 TRP 38 HE3 TRP 38 -10.768 3.877 -6.756 366 HZ2 TRP 38 HZ2 TRP 38 -8.377 8.217 -6.869 367 HZ3 TRP 38 HZ3 TRP 38 -10.617 5.183 -8.859 368 HH2 TRP 38 HH2 TRP 38 -9.404 7.317 -8.926 369 QB TRP 38 QB TRP 38 -10.331 3.033 -4.152 370 H LYS 39 HN LYS 39 -9.318 1.062 -2.094 371 HA LYS 39 HA LYS 39 -11.868 0.073 -0.880 372 1HB LYS 39 2HB LYS 39 -10.134 -1.422 -2.872 373 2HB LYS 39 3HB LYS 39 -11.522 -2.094 -2.050 374 1HG LYS 39 2HG LYS 39 -12.504 -1.395 -4.052 375 2HG LYS 39 3HG LYS 39 -12.787 0.006 -3.031 376 1HD LYS 39 2HD LYS 39 -11.791 1.184 -4.716 377 2HD LYS 39 3HD LYS 39 -10.288 0.583 -4.032 378 1HE LYS 39 2HE LYS 39 -10.263 0.087 -6.401 379 2HE LYS 39 3HE LYS 39 -10.461 -1.429 -5.526 380 1HZ LYS 39 1HZ LYS 39 -13.008 -0.366 -5.951 381 2HZ LYS 39 2HZ LYS 39 -12.177 -0.272 -7.434 382 3HZ LYS 39 3HZ LYS 39 -12.325 -1.765 -6.641 383 QB LYS 39 QB LYS 39 -10.829 -1.758 -2.462 384 QG LYS 39 QG LYS 39 -12.645 -0.694 -3.541 385 QD LYS 39 QD LYS 39 -11.040 0.884 -4.374 386 QE LYS 39 QE LYS 39 -10.362 -0.671 -5.964 387 QZ LYS 39 QZ LYS 39 -12.503 -0.801 -6.676 388 HA PRO 40 HA PRO 40 -12.500 -1.940 -0.063 389 1HB PRO 40 2HB PRO 40 -13.101 -2.557 2.552 390 2HB PRO 40 3HB PRO 40 -12.294 -3.688 1.455 391 1HG PRO 40 2HG PRO 40 -11.115 -2.046 3.678 392 2HG PRO 40 3HG PRO 40 -10.637 -3.639 3.088 393 1HD PRO 40 2HD PRO 40 -9.341 -1.221 2.447 394 2HD PRO 40 3HD PRO 40 -9.166 -2.740 1.544 395 QB PRO 40 QB PRO 40 -12.697 -3.123 2.003 396 QG PRO 40 QG PRO 40 -10.876 -2.843 3.383 397 QD PRO 40 QD PRO 40 -9.253 -1.980 1.996 398 H ASP 41 HN ASP 41 -11.854 -0.482 3.078 399 HA ASP 41 HA ASP 41 -13.656 1.806 2.383 400 1HB ASP 41 2HB ASP 41 -13.710 1.736 5.129 401 2HB ASP 41 3HB ASP 41 -14.906 0.941 4.120 402 QB ASP 41 QB ASP 41 -14.308 1.339 4.624 403 H SER 42 HN SER 42 -11.314 0.955 4.865 404 HA SER 42 HA SER 42 -9.673 3.342 4.138 405 1HB SER 42 2HB SER 42 -10.896 3.884 6.215 406 2HB SER 42 3HB SER 42 -10.389 2.348 6.942 407 HG SER 42 HG SER 42 -8.698 3.475 7.562 408 QB SER 42 QB SER 42 -10.642 3.116 6.578 409 H VAL 43 HN VAL 43 -7.554 2.971 5.570 410 HA VAL 43 HA VAL 43 -6.611 0.176 5.062 411 HB VAL 43 HB VAL 43 -5.570 1.714 3.484 412 1HG1 VAL 43 1HG VAL 43 -5.926 3.819 4.740 413 2HG1 VAL 43 2HG VAL 43 -4.699 3.337 5.907 414 3HG1 VAL 43 3HG VAL 43 -4.251 3.658 4.237 415 1HG2 VAL 43 2HG VAL 43 -4.125 -0.059 4.440 416 2HG2 VAL 43 3HG VAL 43 -3.188 1.386 4.071 417 3HG2 VAL 43 1HG VAL 43 -3.635 1.028 5.735 418 QG1 VAL 43 QG1 VAL 43 -4.959 3.605 4.962 419 QG2 VAL 43 QG2 VAL 43 -3.649 0.785 4.749 420 QQG VAL 43 QQG VAL 43 -4.304 2.195 4.855 421 H THR 44 HN THR 44 -6.584 2.993 7.027 422 HA THR 44 HA THR 44 -4.900 2.848 9.074 423 HB THR 44 HB THR 44 -6.847 3.508 10.608 424 HG1 THR 44 1HG THR 44 -8.758 2.875 9.937 425 1HG2 THR 44 3HG THR 44 -6.997 4.689 7.786 426 2HG2 THR 44 1HG THR 44 -7.565 5.455 9.263 427 3HG2 THR 44 2HG THR 44 -5.844 5.205 9.009 428 QG2 THR 44 QG2 THR 44 -6.802 5.116 8.686 429 H GLN 45 HN GLN 45 -7.867 1.013 9.275 430 HA GLN 45 HA GLN 45 -6.562 -0.922 11.139 431 1HB GLN 45 2HB GLN 45 -8.922 -1.370 11.918 432 2HB GLN 45 3HB GLN 45 -8.385 0.276 12.213 433 1HG GLN 45 2HG GLN 45 -9.838 1.180 10.656 434 2HG GLN 45 3HG GLN 45 -9.745 -0.215 9.590 435 1HE2 GLN 45 2HE GLN 45 -12.852 0.053 12.076 436 2HE2 GLN 45 1HE GLN 45 -11.815 1.356 11.740 437 QB GLN 45 QB GLN 45 -8.654 -0.547 12.065 438 QG GLN 45 QG GLN 45 -9.791 0.483 10.123 439 QE2 GLN 45 QE2 GLN 45 -12.333 0.704 11.909 440 H ILE 46 HN ILE 46 -6.371 -1.187 8.273 441 HA ILE 46 HA ILE 46 -8.296 -3.038 7.266 442 HB ILE 46 HB ILE 46 -6.455 -1.744 5.991 443 1HG1 ILE 46 2HG ILE 46 -6.144 -3.625 4.316 444 2HG1 ILE 46 3HG ILE 46 -6.989 -4.677 5.431 445 1HG2 ILE 46 2HG ILE 46 -4.578 -2.484 7.392 446 2HG2 ILE 46 3HG ILE 46 -4.831 -4.145 6.874 447 3HG2 ILE 46 1HG ILE 46 -4.318 -2.930 5.709 448 1HD1 ILE 46 1HD ILE 46 -8.100 -2.094 4.253 449 2HD1 ILE 46 2HD ILE 46 -8.533 -3.723 3.740 450 3HD1 ILE 46 3HD ILE 46 -8.967 -3.162 5.351 451 QG1 ILE 46 QG1 ILE 46 -6.567 -4.152 4.874 452 QG2 ILE 46 QG2 ILE 46 -4.576 -3.186 6.658 453 QD1 ILE 46 QD1 ILE 46 -8.534 -2.993 4.448 454 H LYS 47 HN LYS 47 -7.872 -5.463 7.023 455 HA LYS 47 HA LYS 47 -6.533 -6.367 9.534 456 1HB LYS 47 2HB LYS 47 -8.873 -7.530 7.996 457 2HB LYS 47 3HB LYS 47 -8.081 -8.384 9.306 458 1HG LYS 47 2HG LYS 47 -9.786 -7.301 10.484 459 2HG LYS 47 3HG LYS 47 -8.489 -6.129 10.646 460 1HD LYS 47 2HD LYS 47 -9.400 -4.817 8.766 461 2HD LYS 47 3HD LYS 47 -10.644 -6.023 8.497 462 1HE LYS 47 2HE LYS 47 -11.631 -4.193 9.751 463 2HE LYS 47 3HE LYS 47 -11.505 -5.580 10.825 464 1HZ LYS 47 3HZ LYS 47 -9.129 -4.080 10.995 465 2HZ LYS 47 1HZ LYS 47 -10.426 -3.013 11.142 466 3HZ LYS 47 2HZ LYS 47 -10.306 -4.334 12.212 467 QB LYS 47 QB LYS 47 -8.477 -7.957 8.651 468 QG LYS 47 QG LYS 47 -9.137 -6.715 10.565 469 QD LYS 47 QD LYS 47 -10.022 -5.420 8.631 470 QE LYS 47 QE LYS 47 -11.568 -4.887 10.289 471 QZ LYS 47 QZ LYS 47 -9.954 -3.809 11.450 472 HA PRO 48 HA PRO 48 -3.422 -8.550 7.624 473 1HB PRO 48 2HB PRO 48 -4.024 -11.047 9.118 474 2HB PRO 48 3HB PRO 48 -2.590 -10.018 9.188 475 1HG PRO 48 2HG PRO 48 -4.426 -10.093 11.210 476 2HG PRO 48 3HG PRO 48 -3.496 -8.635 10.833 477 1HD PRO 48 2HD PRO 48 -6.362 -9.265 10.192 478 2HD PRO 48 3HD PRO 48 -5.602 -7.703 10.551 479 QB PRO 48 QB PRO 48 -3.307 -10.533 9.153 480 QG PRO 48 QG PRO 48 -3.961 -9.363 11.021 481 QD PRO 48 QD PRO 48 -5.982 -8.484 10.372 482 H HIS 49 HN HIS 49 -2.896 -9.977 6.024 483 HA HIS 49 HA HIS 49 -3.230 -11.395 4.209 484 1HB HIS 49 2HB HIS 49 -5.677 -12.656 5.314 485 2HB HIS 49 3HB HIS 49 -4.274 -13.399 4.607 486 HD1 HIS 49 HD1 HIS 49 -2.105 -12.957 6.380 487 HD2 HIS 49 HD2 HIS 49 -5.856 -13.381 7.994 488 HE1 HIS 49 HE1 HIS 49 -1.773 -13.654 8.779 489 QB HIS 49 QB HIS 49 -4.975 -13.028 4.960 490 H SER 50 HN SER 50 -4.689 -8.801 4.433 491 HA SER 50 HA SER 50 -7.037 -9.509 2.713 492 1HB SER 50 2HB SER 50 -8.076 -7.421 3.388 493 2HB SER 50 3HB SER 50 -7.451 -8.164 4.868 494 HG SER 50 HG SER 50 -5.928 -6.706 4.990 495 QB SER 50 QB SER 50 -7.763 -7.793 4.128 496 H THR 51 HN THR 51 -7.518 -7.654 1.134 497 HA THR 51 HA THR 51 -4.959 -6.863 -0.170 498 HB THR 51 HB THR 51 -6.266 -7.029 -2.341 499 HG1 THR 51 1HG THR 51 -8.195 -7.048 -0.583 500 1HG2 THR 51 2HG THR 51 -6.397 -9.561 -0.637 501 2HG2 THR 51 3HG THR 51 -6.449 -9.500 -2.396 502 3HG2 THR 51 1HG THR 51 -4.980 -9.053 -1.545 503 QG2 THR 51 QG2 THR 51 -5.941 -9.371 -1.526 504 H VAL 52 HN VAL 52 -4.682 -4.670 -0.036 505 HA VAL 52 HA VAL 52 -7.136 -2.981 0.191 506 HB VAL 52 HB VAL 52 -4.474 -1.683 0.443 507 1HG1 VAL 52 1HG VAL 52 -6.648 -0.568 0.934 508 2HG1 VAL 52 2HG VAL 52 -6.938 -1.731 2.223 509 3HG1 VAL 52 3HG VAL 52 -5.597 -0.595 2.348 510 1HG2 VAL 52 2HG VAL 52 -5.383 -3.748 2.489 511 2HG2 VAL 52 3HG VAL 52 -3.892 -3.792 1.558 512 3HG2 VAL 52 1HG VAL 52 -4.126 -2.549 2.782 513 QG1 VAL 52 QG1 VAL 52 -6.395 -0.965 1.835 514 QG2 VAL 52 QG2 VAL 52 -4.467 -3.363 2.277 515 QQG VAL 52 QQG VAL 52 -5.430 -2.164 2.056 516 H ASP 53 HN ASP 53 -7.359 -1.135 -1.239 517 HA ASP 53 HA ASP 53 -5.679 -1.304 -3.718 518 1HB ASP 53 2HB ASP 53 -8.617 -0.618 -3.769 519 2HB ASP 53 3HB ASP 53 -7.591 -1.075 -5.110 520 QB ASP 53 QB ASP 53 -8.104 -0.846 -4.440 521 H PHE 54 HN PHE 54 -4.637 0.543 -4.017 522 HA PHE 54 HA PHE 54 -6.013 3.130 -3.407 523 1HB PHE 54 2HB PHE 54 -3.918 4.047 -2.559 524 2HB PHE 54 3HB PHE 54 -4.235 2.559 -1.685 525 HD1 PHE 54 2HD PHE 54 -2.954 0.467 -2.289 526 HD2 PHE 54 1HD PHE 54 -1.991 4.248 -4.010 527 HE1 PHE 54 2HE PHE 54 -0.779 -0.413 -3.023 528 HE2 PHE 54 1HE PHE 54 0.199 3.377 -4.695 529 HZ PHE 54 HZ PHE 54 0.804 1.045 -4.216 530 QB PHE 54 QB PHE 54 -4.077 3.303 -2.122 531 QR PHE 54 QR PHE 54 -1.381 1.920 -3.505 532 NH1 ARG 55 NH1 ARG 55 -4.229 7.287 -11.864 533 NH2 ARG 55 NH2 ARG 55 -6.315 7.642 -12.695 534 H ARG 55 HN ARG 55 -5.118 4.952 -4.800 535 HA ARG 55 HA ARG 55 -3.900 3.827 -7.306 536 1HB ARG 55 2HB ARG 55 -6.377 4.278 -7.585 537 2HB ARG 55 3HB ARG 55 -6.038 5.986 -7.308 538 1HG ARG 55 2HG ARG 55 -4.292 5.778 -9.209 539 2HG ARG 55 3HG ARG 55 -5.015 4.221 -9.563 540 1HD ARG 55 2HD ARG 55 -7.235 5.382 -9.852 541 2HD ARG 55 3HD ARG 55 -6.401 6.924 -9.644 542 HE ARG 55 HE ARG 55 -5.886 5.006 -11.901 543 1HH1 ARG 55 2HH ARG 55 -3.605 6.710 -11.330 544 2HH1 ARG 55 1HH ARG 55 -3.885 8.125 -12.299 545 1HH2 ARG 55 2HH ARG 55 -7.262 7.351 -12.768 546 2HH2 ARG 55 1HH ARG 55 -6.010 8.477 -13.188 547 QB ARG 55 QB ARG 55 -6.208 5.131 -7.447 548 QG ARG 55 QG ARG 55 -4.654 5.000 -9.386 549 QD ARG 55 QD ARG 55 -6.817 6.153 -9.748 550 QH1 ARG 55 QH1 ARG 55 -3.744 7.417 -11.815 551 QH2 ARG 55 QH2 ARG 55 -6.636 7.914 -12.978 552 H VAL 56 HN VAL 56 -2.424 5.031 -8.328 553 HA VAL 56 HA VAL 56 -1.580 7.575 -7.052 554 HB VAL 56 HB VAL 56 0.615 6.977 -8.084 555 1HG1 VAL 56 2HG VAL 56 -0.601 4.789 -6.368 556 2HG1 VAL 56 3HG VAL 56 1.127 5.070 -6.571 557 3HG1 VAL 56 1HG VAL 56 0.126 6.275 -5.760 558 1HG2 VAL 56 3HG VAL 56 -0.261 5.611 -9.975 559 2HG2 VAL 56 1HG VAL 56 0.960 4.760 -9.048 560 3HG2 VAL 56 2HG VAL 56 -0.739 4.364 -8.827 561 QG1 VAL 56 QG1 VAL 56 0.217 5.378 -6.233 562 QG2 VAL 56 QG2 VAL 56 -0.014 4.912 -9.284 563 QQG VAL 56 QQG VAL 56 0.102 5.145 -7.758 564 H LYS 57 HN LYS 57 -0.900 9.291 -8.608 565 HA LYS 57 HA LYS 57 -2.169 8.934 -11.310 566 1HB LYS 57 2HB LYS 57 -2.119 11.525 -9.735 567 2HB LYS 57 3HB LYS 57 -2.994 11.201 -11.222 568 1HG LYS 57 2HG LYS 57 -4.714 10.938 -9.690 569 2HG LYS 57 3HG LYS 57 -4.120 9.282 -9.750 570 1HD LYS 57 2HD LYS 57 -2.580 9.908 -7.798 571 2HD LYS 57 3HD LYS 57 -3.469 11.410 -7.685 572 1HE LYS 57 2HE LYS 57 -5.512 10.253 -7.155 573 2HE LYS 57 3HE LYS 57 -4.798 8.689 -7.552 574 1HZ LYS 57 2HZ LYS 57 -3.179 9.980 -5.657 575 2HZ LYS 57 3HZ LYS 57 -4.774 9.995 -5.079 576 3HZ LYS 57 1HZ LYS 57 -4.042 8.524 -5.478 577 QB LYS 57 QB LYS 57 -2.556 11.364 -10.478 578 QG LYS 57 QG LYS 57 -4.417 10.110 -9.720 579 QD LYS 57 QD LYS 57 -3.025 10.659 -7.741 580 QE LYS 57 QE LYS 57 -5.155 9.471 -7.353 581 QZ LYS 57 QZ LYS 57 -3.999 9.500 -5.405 582 H ALA 58 HN ALA 58 0.431 8.383 -10.839 583 HA ALA 58 HA ALA 58 2.518 8.754 -11.820 584 1HB ALA 58 3HB ALA 58 1.333 9.500 -13.821 585 2HB ALA 58 1HB ALA 58 1.183 11.119 -13.152 586 3HB ALA 58 2HB ALA 58 2.771 10.481 -13.550 587 QB ALA 58 QB ALA 58 1.762 10.366 -13.508 588 H GLU 59 HN GLU 59 1.073 11.024 -9.730 589 HA GLU 59 HA GLU 59 2.969 13.104 -9.701 590 1HB GLU 59 2HB GLU 59 2.263 13.613 -7.461 591 2HB GLU 59 3HB GLU 59 0.869 13.022 -8.330 592 1HG GLU 59 2HG GLU 59 2.527 11.316 -6.434 593 2HG GLU 59 3HG GLU 59 1.053 12.152 -5.996 594 QB GLU 59 QB GLU 59 1.566 13.317 -7.895 595 QG GLU 59 QG GLU 59 1.790 11.733 -6.215 596 H ASP 60 HN ASP 60 3.125 10.159 -7.766 597 HA ASP 60 HA ASP 60 6.099 10.247 -7.782 598 1HB ASP 60 2HB ASP 60 4.340 10.368 -5.325 599 2HB ASP 60 3HB ASP 60 5.867 9.501 -5.243 600 QB ASP 60 QB ASP 60 5.104 9.934 -5.283 601 H ILE 61 HN ILE 61 5.028 8.402 -9.351 602 HA ILE 61 HA ILE 61 4.126 6.107 -7.770 603 HB ILE 61 HB ILE 61 5.015 5.978 -10.671 604 1HG1 ILE 61 2HG ILE 61 2.283 6.659 -9.492 605 2HG1 ILE 61 3HG ILE 61 3.317 7.771 -10.368 606 1HG2 ILE 61 1HG ILE 61 4.685 3.868 -9.350 607 2HG2 ILE 61 2HG ILE 61 3.048 4.372 -8.980 608 3HG2 ILE 61 3HG ILE 61 3.507 4.020 -10.642 609 1HD1 ILE 61 2HD ILE 61 3.167 6.281 -12.377 610 2HD1 ILE 61 3HD ILE 61 2.084 5.223 -11.492 611 3HD1 ILE 61 1HD ILE 61 1.586 6.860 -11.878 612 QG1 ILE 61 QG1 ILE 61 2.800 7.215 -9.930 613 QG2 ILE 61 QG2 ILE 61 3.747 4.087 -9.658 614 QD1 ILE 61 QD1 ILE 61 2.280 6.122 -11.916 615 H LEU 62 HN LEU 62 7.010 6.733 -9.757 616 HA LEU 62 HA LEU 62 8.577 4.547 -9.414 617 1HB LEU 62 2HB LEU 62 9.615 7.307 -8.701 618 2HB LEU 62 3HB LEU 62 10.581 5.946 -9.241 619 HG LEU 62 HG LEU 62 8.418 7.322 -10.862 620 1HD1 LEU 62 2HD LEU 62 10.459 8.682 -10.597 621 2HD1 LEU 62 3HD LEU 62 11.428 7.335 -11.190 622 3HD1 LEU 62 1HD LEU 62 10.265 8.123 -12.255 623 1HD2 LEU 62 1HD LEU 62 10.340 5.091 -11.608 624 2HD2 LEU 62 2HD LEU 62 8.593 4.934 -11.452 625 3HD2 LEU 62 3HD LEU 62 9.275 5.925 -12.734 626 QB LEU 62 QB LEU 62 10.098 6.626 -8.971 627 QD1 LEU 62 QD1 LEU 62 10.717 8.046 -11.347 628 QD2 LEU 62 QD2 LEU 62 9.403 5.316 -11.931 629 QQD LEU 62 QQD LEU 62 10.060 6.682 -11.639 630 H ALA 63 HN ALA 63 8.366 6.976 -6.798 631 HA ALA 63 HA ALA 63 9.882 5.534 -4.883 632 1HB ALA 63 3HB ALA 63 9.143 7.878 -4.548 633 2HB ALA 63 1HB ALA 63 7.475 7.336 -4.380 634 3HB ALA 63 2HB ALA 63 8.678 6.877 -3.179 635 QB ALA 63 QB ALA 63 8.432 7.363 -4.036 636 H VAL 64 HN VAL 64 6.379 5.484 -5.472 637 HA VAL 64 HA VAL 64 5.700 3.602 -3.421 638 HB VAL 64 HB VAL 64 4.416 4.017 -6.162 639 1HG1 VAL 64 1HG VAL 64 3.841 1.819 -5.129 640 2HG1 VAL 64 2HG VAL 64 3.310 2.658 -3.673 641 3HG1 VAL 64 3HG VAL 64 2.454 2.897 -5.191 642 1HG2 VAL 64 2HG VAL 64 4.406 6.041 -4.710 643 2HG2 VAL 64 3HG VAL 64 2.779 5.396 -4.920 644 3HG2 VAL 64 1HG VAL 64 3.656 5.107 -3.420 645 QG1 VAL 64 QG1 VAL 64 3.202 2.458 -4.664 646 QG2 VAL 64 QG2 VAL 64 3.614 5.515 -4.350 647 QQG VAL 64 QQG VAL 64 3.407 3.986 -4.507 648 H GLU 65 HN GLU 65 6.686 3.238 -6.784 649 HA GLU 65 HA GLU 65 6.567 0.418 -7.010 650 1HB GLU 65 2HB GLU 65 7.643 2.568 -8.530 651 2HB GLU 65 3HB GLU 65 8.987 1.472 -8.265 652 1HG GLU 65 2HG GLU 65 7.978 0.684 -10.259 653 2HG GLU 65 3HG GLU 65 7.354 -0.400 -9.020 654 QB GLU 65 QB GLU 65 8.316 2.020 -8.397 655 QG GLU 65 QG GLU 65 7.665 0.142 -9.639 656 H ASP 66 HN ASP 66 9.421 2.404 -6.213 657 HA ASP 66 HA ASP 66 11.234 0.430 -5.444 658 1HB ASP 66 2HB ASP 66 11.789 2.850 -5.507 659 2HB ASP 66 3HB ASP 66 10.795 3.122 -4.084 660 QB ASP 66 QB ASP 66 11.292 2.986 -4.794 661 H PHE 67 HN PHE 67 9.198 2.211 -3.179 662 HA PHE 67 HA PHE 67 9.619 0.707 -0.855 663 1HB PHE 67 2HB PHE 67 8.235 2.861 -1.182 664 2HB PHE 67 3HB PHE 67 6.901 1.808 -1.629 665 HD1 PHE 67 2HD PHE 67 9.271 2.619 1.118 666 HD2 PHE 67 1HD PHE 67 5.719 0.528 0.035 667 HE1 PHE 67 2HE PHE 67 8.803 2.171 3.493 668 HE2 PHE 67 1HE PHE 67 5.249 0.107 2.411 669 HZ PHE 67 HZ PHE 67 6.800 0.899 4.136 670 QB PHE 67 QB PHE 67 7.567 2.334 -1.406 671 QR PHE 67 QR PHE 67 7.261 1.357 1.764 672 H LEU 68 HN LEU 68 7.296 0.067 -3.456 673 HA LEU 68 HA LEU 68 6.359 -2.361 -2.051 674 1HB LEU 68 2HB LEU 68 5.608 -1.227 -4.769 675 2HB LEU 68 3HB LEU 68 4.851 -2.628 -4.021 676 HG LEU 68 HG LEU 68 4.829 0.227 -2.952 677 1HD1 LEU 68 2HD LEU 68 3.265 -0.261 -4.833 678 2HD1 LEU 68 3HD LEU 68 2.584 -1.592 -3.905 679 3HD1 LEU 68 1HD LEU 68 2.409 0.063 -3.330 680 1HD2 LEU 68 3HD LEU 68 3.638 -2.312 -1.768 681 2HD2 LEU 68 1HD LEU 68 4.971 -1.386 -1.086 682 3HD2 LEU 68 2HD LEU 68 3.361 -0.682 -1.166 683 QB LEU 68 QB LEU 68 5.229 -1.928 -4.395 684 QD1 LEU 68 QD1 LEU 68 2.752 -0.597 -4.023 685 QD2 LEU 68 QD2 LEU 68 3.990 -1.460 -1.341 686 QQD LEU 68 QQD LEU 68 3.372 -1.029 -2.682 687 H GLU 69 HN GLU 69 8.912 -1.647 -4.021 688 HA GLU 69 HA GLU 69 9.011 -4.376 -5.230 689 1HB GLU 69 2HB GLU 69 9.458 -2.133 -6.519 690 2HB GLU 69 3HB GLU 69 11.003 -2.132 -5.691 691 1HG GLU 69 2HG GLU 69 10.227 -4.658 -7.095 692 2HG GLU 69 3HG GLU 69 10.660 -3.280 -8.099 693 QB GLU 69 QB GLU 69 10.230 -2.132 -6.105 694 QG GLU 69 QG GLU 69 10.444 -3.970 -7.598 695 H GLN 70 HN GLN 70 11.334 -2.128 -3.725 696 HA GLN 70 HA GLN 70 13.299 -3.913 -2.933 697 1HB GLN 70 2HB GLN 70 12.278 -1.447 -1.494 698 2HB GLN 70 3HB GLN 70 13.654 -2.366 -0.904 699 1HG GLN 70 2HG GLN 70 14.533 -2.089 -3.385 700 2HG GLN 70 3HG GLN 70 13.409 -0.731 -3.413 701 1HE2 GLN 70 2HE GLN 70 15.534 1.304 -1.488 702 2HE2 GLN 70 1HE GLN 70 14.151 1.180 -2.467 703 QB GLN 70 QB GLN 70 12.965 -1.907 -1.199 704 QG GLN 70 QG GLN 70 13.972 -1.409 -3.399 705 QE2 GLN 70 QE2 GLN 70 14.842 1.242 -1.977 706 H ASN 71 HN ASN 71 10.338 -3.164 -1.083 707 HA ASN 71 HA ASN 71 11.060 -5.318 0.827 708 1HB ASN 71 2HB ASN 71 8.616 -3.530 0.886 709 2HB ASN 71 3HB ASN 71 9.351 -4.397 2.223 710 1HD2 ASN 71 2HD ASN 71 10.424 -0.932 2.619 711 2HD2 ASN 71 1HD ASN 71 8.976 -1.811 2.666 712 QB ASN 71 QB ASN 71 8.984 -3.964 1.555 713 QD2 ASN 71 QD2 ASN 71 9.700 -1.371 2.642 714 H GLU 72 HN GLU 72 9.454 -5.121 -2.025 715 HA GLU 72 HA GLU 72 7.520 -6.131 -2.932 716 1HB GLU 72 2HB GLU 72 9.392 -7.714 -3.211 717 2HB GLU 72 3HB GLU 72 8.978 -8.471 -1.677 718 1HG GLU 72 2HG GLU 72 8.052 -9.603 -3.810 719 2HG GLU 72 3HG GLU 72 6.883 -9.287 -2.533 720 QB GLU 72 QB GLU 72 9.185 -8.092 -2.445 721 QG GLU 72 QG GLU 72 7.467 -9.445 -3.172 722 H LEU 73 HN LEU 73 6.068 -5.105 -1.475 723 HA LEU 73 HA LEU 73 5.027 -6.625 0.798 724 1HB LEU 73 2HB LEU 73 4.069 -4.039 -0.494 725 2HB LEU 73 3HB LEU 73 3.560 -4.661 1.061 726 HG LEU 73 HG LEU 73 6.349 -3.716 0.306 727 1HD1 LEU 73 1HD LEU 73 4.741 -1.926 0.893 728 2HD1 LEU 73 2HD LEU 73 4.381 -2.740 2.410 729 3HD1 LEU 73 3HD LEU 73 5.988 -2.084 2.120 730 1HD2 LEU 73 2HD LEU 73 5.390 -5.038 2.879 731 2HD2 LEU 73 3HD LEU 73 6.576 -5.687 1.744 732 3HD2 LEU 73 1HD LEU 73 6.949 -4.249 2.675 733 QB LEU 73 QB LEU 73 3.814 -4.350 0.284 734 QD1 LEU 73 QD1 LEU 73 5.036 -2.250 1.808 735 QD2 LEU 73 QD2 LEU 73 6.305 -4.991 2.433 736 QQD LEU 73 QQD LEU 73 5.671 -3.620 2.120 737 H GLN 74 HN GLN 74 4.710 -8.381 -0.792 738 HA GLN 74 HA GLN 74 3.449 -9.427 -2.582 739 1HB GLN 74 2HB GLN 74 2.672 -9.717 0.106 740 2HB GLN 74 3HB GLN 74 1.152 -9.500 -0.740 741 1HG GLN 74 2HG GLN 74 3.165 -11.419 -1.899 742 2HG GLN 74 3HG GLN 74 2.240 -11.917 -0.491 743 1HE2 GLN 74 2HE GLN 74 0.320 -11.521 -4.101 744 2HE2 GLN 74 1HE GLN 74 1.885 -10.898 -3.911 745 QB GLN 74 QB GLN 74 1.912 -9.608 -0.317 746 QG GLN 74 QG GLN 74 2.703 -11.668 -1.195 747 QE2 GLN 74 QE2 GLN 74 1.102 -11.209 -4.006 748 OH TYR 75 OH TYR 75 5.890 -4.748 -8.529 749 H TYR 75 HN TYR 75 3.324 -7.307 -3.824 750 HA TYR 75 HA TYR 75 0.461 -6.409 -3.949 751 1HB TYR 75 2HB TYR 75 1.168 -4.264 -4.617 752 2HB TYR 75 3HB TYR 75 2.408 -4.717 -3.452 753 HD1 TYR 75 HD2 TYR 75 1.640 -4.385 -7.052 754 HD2 TYR 75 HD1 TYR 75 4.697 -5.236 -4.198 755 HE1 TYR 75 HE2 TYR 75 3.329 -4.296 -8.821 756 HE2 TYR 75 HE1 TYR 75 6.373 -5.169 -5.975 757 HH TYR 75 HH TYR 75 6.527 -4.055 -8.333 758 QB TYR 75 QB TYR 75 1.788 -4.491 -4.034 759 QR TYR 75 QR TYR 75 4.009 -4.771 -6.511 760 H GLU 76 HN GLU 76 -0.456 -6.058 -5.973 761 HA GLU 76 HA GLU 76 0.898 -7.264 -8.318 762 1HB GLU 76 2HB GLU 76 -1.535 -8.333 -6.929 763 2HB GLU 76 3HB GLU 76 -1.565 -8.348 -8.682 764 1HG GLU 76 2HG GLU 76 -0.425 -10.303 -8.543 765 2HG GLU 76 3HG GLU 76 0.977 -9.349 -8.088 766 QB GLU 76 QB GLU 76 -1.551 -8.341 -7.805 767 QG GLU 76 QG GLU 76 0.276 -9.827 -8.315 768 H VAL 77 HN VAL 77 -0.938 -7.110 -10.203 769 HA VAL 77 HA VAL 77 -1.785 -4.236 -10.160 770 HB VAL 77 HB VAL 77 -1.234 -5.946 -12.616 771 1HG1 VAL 77 1HG VAL 77 -1.406 -2.938 -12.170 772 2HG1 VAL 77 2HG VAL 77 -1.024 -3.717 -13.703 773 3HG1 VAL 77 3HG VAL 77 -2.614 -3.930 -12.985 774 1HG2 VAL 77 1HG VAL 77 0.645 -4.049 -11.146 775 2HG2 VAL 77 2HG VAL 77 0.831 -5.796 -11.247 776 3HG2 VAL 77 3HG VAL 77 0.985 -4.810 -12.698 777 QG1 VAL 77 QG1 VAL 77 -1.681 -3.529 -12.953 778 QG2 VAL 77 QG2 VAL 77 0.820 -4.885 -11.697 779 QQG VAL 77 QQG VAL 77 -0.431 -4.206 -12.324 780 H LEU 78 HN LEU 78 -3.486 -5.712 -8.926 781 HA LEU 78 HA LEU 78 -5.637 -6.670 -8.866 782 1HB LEU 78 2HB LEU 78 -5.865 -4.474 -10.949 783 2HB LEU 78 3HB LEU 78 -7.256 -5.279 -10.227 784 HG LEU 78 HG LEU 78 -5.160 -4.208 -8.363 785 1HD1 LEU 78 1HD LEU 78 -7.218 -2.469 -9.765 786 2HD1 LEU 78 2HD LEU 78 -6.210 -1.973 -8.410 787 3HD1 LEU 78 3HD LEU 78 -5.472 -2.354 -9.963 788 1HD2 LEU 78 1HD LEU 78 -7.164 -5.456 -7.555 789 2HD2 LEU 78 2HD LEU 78 -7.162 -3.793 -6.978 790 3HD2 LEU 78 3HD LEU 78 -8.203 -4.258 -8.315 791 QB LEU 78 QB LEU 78 -6.561 -4.877 -10.588 792 QD1 LEU 78 QD1 LEU 78 -6.300 -2.266 -9.379 793 QD2 LEU 78 QD2 LEU 78 -7.509 -4.503 -7.616 794 QQD LEU 78 QQD LEU 78 -6.905 -3.384 -8.498 795 H ILE 79 HN ILE 79 -4.131 -8.389 -10.265 796 HA ILE 79 HA ILE 79 -5.260 -8.927 -12.878 797 HB ILE 79 HB ILE 79 -3.741 -10.891 -12.709 798 1HG1 ILE 79 2HG ILE 79 -2.913 -9.812 -10.006 799 2HG1 ILE 79 3HG ILE 79 -4.055 -11.135 -10.177 800 1HG2 ILE 79 1HG ILE 79 -2.891 -8.703 -13.498 801 2HG2 ILE 79 2HG ILE 79 -2.502 -8.261 -11.841 802 3HG2 ILE 79 3HG ILE 79 -1.639 -9.577 -12.625 803 1HD1 ILE 79 1HD ILE 79 -2.361 -12.427 -11.452 804 2HD1 ILE 79 2HD ILE 79 -1.212 -11.108 -11.240 805 3HD1 ILE 79 3HD ILE 79 -1.789 -12.007 -9.842 806 QG1 ILE 79 QG1 ILE 79 -3.484 -10.473 -10.091 807 QG2 ILE 79 QG2 ILE 79 -2.344 -8.847 -12.655 808 QD1 ILE 79 QD1 ILE 79 -1.787 -11.847 -10.845 809 H ASN 80 HN ASN 80 -7.293 -8.786 -11.119 810 HA ASN 80 HA ASN 80 -9.287 -9.910 -10.629 811 1HB ASN 80 2HB ASN 80 -7.952 -12.510 -11.456 812 2HB ASN 80 3HB ASN 80 -9.671 -12.155 -11.380 813 1HD2 ASN 80 2HD ASN 80 -7.595 -11.163 -14.690 814 2HD2 ASN 80 1HD ASN 80 -6.864 -11.976 -13.386 815 QB ASN 80 QB ASN 80 -8.811 -12.332 -11.418 816 QD2 ASN 80 QD2 ASN 80 -7.229 -11.570 -14.038 817 H ASN 81 HN ASN 81 -6.815 -9.694 -8.917 818 HA ASN 81 HA ASN 81 -7.648 -11.683 -6.850 819 1HB ASN 81 2HB ASN 81 -4.846 -10.832 -7.648 820 2HB ASN 81 3HB ASN 81 -5.200 -11.629 -6.116 821 1HD2 ASN 81 ASN 81 -5.687 -13.787 -9.572 822 2HD2 ASN 81 1HD ASN 81 -5.815 -12.101 -9.655 823 QB ASN 81 QB ASN 81 -5.024 -11.230 -6.882 824 QD2 ASN 81 QD2 ASN 81 -5.750 -12.943 -9.613 Start of MODEL 18 Raw file had 824 H/Q atoms Start of MODEL 18 1 1H HIS 1 HN1 HIS 1 13.120 13.420 -12.856 2 2H HIS 1 HN2 HIS 1 11.511 13.091 -13.066 3 3H HIS 1 HN3 HIS 1 11.982 14.543 -12.425 4 HA HIS 1 HA HIS 1 11.893 13.747 -10.400 5 1HB HIS 1 2HB HIS 1 11.481 10.995 -11.586 6 2HB HIS 1 3HB HIS 1 11.016 11.536 -10.002 7 HD1 HIS 1 HD1 HIS 1 8.792 10.478 -10.946 8 HD2 HIS 1 HD2 HIS 1 9.704 14.191 -12.473 9 HE1 HIS 1 HE1 HIS 1 6.658 11.398 -11.959 10 QB HIS 1 QB HIS 1 11.248 11.265 -10.793 11 H HIS 2 HN HIS 2 12.810 11.778 -9.026 12 HA HIS 2 HA HIS 2 15.445 11.921 -8.579 13 1HB HIS 2 2HB HIS 2 13.838 10.421 -7.419 14 2HB HIS 2 3HB HIS 2 13.972 9.280 -8.727 15 HD1 HIS 2 HD1 HIS 2 16.524 8.430 -9.110 16 HD2 HIS 2 HD2 HIS 2 15.701 9.962 -5.371 17 HE1 HIS 2 HE1 HIS 2 18.354 7.624 -7.577 18 QB HIS 2 QB HIS 2 13.905 9.851 -8.074 19 H SER 3 HN SER 3 14.322 9.416 -10.839 20 HA SER 3 HA SER 3 16.969 9.605 -12.228 21 1HB SER 3 2HB SER 3 15.361 7.083 -11.621 22 2HB SER 3 3HB SER 3 16.863 7.136 -12.566 23 HG SER 3 HG SER 3 17.877 7.177 -10.719 24 QB SER 3 QB SER 3 16.112 7.110 -12.094 25 H GLY 4 HN GLY 4 15.162 11.161 -13.236 26 1HA GLY 4 1HA GLY 4 14.688 11.310 -15.704 27 2HA GLY 4 2HA GLY 4 14.034 9.673 -15.600 28 QA GLY 4 QA GLY 4 14.360 10.491 -15.651 29 H GLU 5 HN GLU 5 12.160 11.100 -16.596 30 HA GLU 5 HA GLU 5 10.570 12.305 -14.366 31 1HB GLU 5 2HB GLU 5 10.162 12.529 -17.364 32 2HB GLU 5 3HB GLU 5 9.226 13.364 -16.133 33 1HG GLU 5 2HG GLU 5 12.224 13.696 -16.523 34 2HG GLU 5 3HG GLU 5 11.012 14.814 -17.124 35 QB GLU 5 QB GLU 5 9.694 12.947 -16.749 36 QG GLU 5 QG GLU 5 11.618 14.255 -16.824 37 H HIS 6 HN HIS 6 8.794 11.303 -13.648 38 HA HIS 6 HA HIS 6 7.751 8.949 -15.195 39 1HB HIS 6 2HB HIS 6 7.492 9.288 -12.206 40 2HB HIS 6 3HB HIS 6 7.375 7.826 -13.141 41 HD1 HIS 6 HD1 HIS 6 9.428 8.546 -10.734 42 HD2 HIS 6 HD2 HIS 6 10.363 8.177 -14.747 43 HE1 HIS 6 HE1 HIS 6 11.887 8.041 -10.866 44 QB HIS 6 QB HIS 6 7.434 8.557 -12.674 45 H PHE 7 HN PHE 7 6.727 11.338 -15.862 46 HA PHE 7 HA PHE 7 4.272 11.803 -14.265 47 1HB PHE 7 2HB PHE 7 5.595 13.307 -16.542 48 2HB PHE 7 3HB PHE 7 3.966 13.695 -16.012 49 HD1 PHE 7 1HD PHE 7 3.909 13.626 -13.196 50 HD2 PHE 7 2HD PHE 7 7.170 14.816 -15.664 51 HE1 PHE 7 1HE PHE 7 4.794 14.991 -11.364 52 HE2 PHE 7 2HE PHE 7 8.039 16.207 -13.842 53 HZ PHE 7 HZ PHE 7 6.856 16.298 -11.686 54 QB PHE 7 QB PHE 7 4.781 13.501 -16.278 55 QR PHE 7 QR PHE 7 5.978 14.910 -13.516 56 H GLU 8 HN GLU 8 3.993 9.439 -15.112 57 HA GLU 8 HA GLU 8 2.866 9.210 -17.800 58 1HB GLU 8 2HB GLU 8 2.479 7.249 -15.511 59 2HB GLU 8 3HB GLU 8 2.412 6.914 -17.232 60 1HG GLU 8 2HG GLU 8 4.881 7.623 -17.332 61 2HG GLU 8 3HG GLU 8 4.866 7.558 -15.570 62 QB GLU 8 QB GLU 8 2.445 7.082 -16.371 63 QG GLU 8 QG GLU 8 4.873 7.590 -16.451 64 H GLY 9 HN GLY 9 1.606 9.310 -14.521 65 1HA GLY 9 1HA GLY 9 -0.577 10.777 -14.480 66 2HA GLY 9 2HA GLY 9 -1.186 9.521 -15.563 67 QA GLY 9 QA GLY 9 -0.882 10.149 -15.021 68 H GLU 10 HN GLU 10 -2.543 9.793 -13.233 69 HA GLU 10 HA GLU 10 -1.426 8.301 -11.026 70 1HB GLU 10 2HB GLU 10 -4.397 8.583 -11.517 71 2HB GLU 10 3HB GLU 10 -3.536 8.556 -9.984 72 1HG GLU 10 2HG GLU 10 -2.395 10.754 -10.867 73 2HG GLU 10 3HG GLU 10 -3.749 10.808 -11.990 74 QB GLU 10 QB GLU 10 -3.967 8.569 -10.751 75 QG GLU 10 QG GLU 10 -3.072 10.781 -11.429 76 H LYS 11 HN LYS 11 -1.606 6.166 -10.474 77 HA LYS 11 HA LYS 11 -3.034 4.343 -12.386 78 1HB LYS 11 2HB LYS 11 -0.233 4.053 -11.243 79 2HB LYS 11 3HB LYS 11 -1.087 2.728 -12.022 80 1HG LYS 11 2HG LYS 11 -0.754 3.589 -14.118 81 2HG LYS 11 3HG LYS 11 -1.158 5.218 -13.611 82 1HD LYS 11 2HD LYS 11 1.125 5.323 -14.268 83 2HD LYS 11 3HD LYS 11 1.150 5.311 -12.512 84 1HE LYS 11 2HE LYS 11 1.657 2.900 -12.508 85 2HE LYS 11 3HE LYS 11 1.555 2.860 -14.264 86 1HZ LYS 11 2HZ LYS 11 3.351 4.892 -13.510 87 2HZ LYS 11 3HZ LYS 11 3.785 3.453 -12.688 88 3HZ LYS 11 1HZ LYS 11 3.675 3.499 -14.392 89 QB LYS 11 QB LYS 11 -0.661 3.390 -11.633 90 QG LYS 11 QG LYS 11 -0.956 4.403 -13.865 91 QD LYS 11 QD LYS 11 1.138 5.318 -13.390 92 QE LYS 11 QE LYS 11 1.606 2.880 -13.386 93 QZ LYS 11 QZ LYS 11 3.603 3.948 -13.530 94 H VAL 12 HN VAL 12 -3.319 2.086 -11.361 95 HA VAL 12 HA VAL 12 -4.018 2.391 -8.455 96 HB VAL 12 HB VAL 12 -5.445 0.571 -10.412 97 1HG1 VAL 12 1HG VAL 12 -5.755 0.165 -7.974 98 2HG1 VAL 12 2HG VAL 12 -6.300 1.822 -7.774 99 3HG1 VAL 12 3HG VAL 12 -7.251 0.693 -8.734 100 1HG2 VAL 12 3HG VAL 12 -5.624 2.877 -11.282 101 2HG2 VAL 12 1HG VAL 12 -7.171 2.309 -10.671 102 3HG2 VAL 12 2HG VAL 12 -6.204 3.426 -9.713 103 QG1 VAL 12 QG1 VAL 12 -6.435 0.893 -8.161 104 QG2 VAL 12 QG2 VAL 12 -6.333 2.871 -10.555 105 QQG VAL 12 QQG VAL 12 -6.384 1.882 -9.358 106 H PHE 13 HN PHE 13 -3.769 0.500 -7.114 107 HA PHE 13 HA PHE 13 -2.474 -1.885 -8.325 108 1HB PHE 13 2HB PHE 13 -1.229 -0.428 -5.960 109 2HB PHE 13 3HB PHE 13 -0.604 -1.873 -6.744 110 HD1 PHE 13 1HD PHE 13 -1.364 1.724 -7.338 111 HD2 PHE 13 2HD PHE 13 0.837 -1.692 -8.622 112 HE1 PHE 13 1HE PHE 13 -0.139 3.117 -8.936 113 HE2 PHE 13 2HE PHE 13 2.114 -0.273 -10.188 114 HZ PHE 13 HZ PHE 13 1.600 2.130 -10.363 115 QB PHE 13 QB PHE 13 -0.916 -1.151 -6.352 116 QR PHE 13 QR PHE 13 0.363 0.719 -8.771 117 NH1 ARG 14 NH2 ARG 14 -6.618 -7.360 -8.012 118 NH2 ARG 14 NH1 ARG 14 -8.713 -6.557 -7.664 119 H ARG 14 HN ARG 14 -2.385 -3.731 -6.867 120 HA ARG 14 HA ARG 14 -4.284 -3.499 -4.565 121 1HB ARG 14 2HB ARG 14 -5.310 -4.799 -6.398 122 2HB ARG 14 3HB ARG 14 -3.906 -5.860 -6.456 123 1HG ARG 14 2HG ARG 14 -4.344 -6.701 -4.240 124 2HG ARG 14 3HG ARG 14 -5.548 -5.456 -3.928 125 1HD ARG 14 2HD ARG 14 -5.763 -7.834 -5.786 126 2HD ARG 14 3HD ARG 14 -6.788 -7.431 -4.416 127 HE ARG 14 HE ARG 14 -7.451 -5.336 -5.814 128 1HH1 ARG 14 2HH ARG 14 -5.676 -7.505 -7.678 129 2HH1 ARG 14 1HH ARG 14 -6.870 -7.699 -8.932 130 1HH2 ARG 14 2HH ARG 14 -9.368 -6.084 -7.071 131 2HH2 ARG 14 1HH ARG 14 -8.999 -6.908 -8.568 132 QB ARG 14 QB ARG 14 -4.608 -5.329 -6.427 133 QG ARG 14 QG ARG 14 -4.946 -6.079 -4.084 134 QD ARG 14 QD ARG 14 -6.275 -7.632 -5.101 135 QH1 ARG 14 QH2 ARG 14 -6.272 -7.602 -8.305 136 QH2 ARG 14 QH1 ARG 14 -9.183 -6.496 -7.820 137 H VAL 15 HN VAL 15 -3.192 -3.814 -2.700 138 HA VAL 15 HA VAL 15 -0.663 -5.396 -2.783 139 HB VAL 15 HB VAL 15 -1.571 -3.657 -0.480 140 1HG1 VAL 15 3HG VAL 15 0.389 -5.139 -0.140 141 2HG1 VAL 15 1HG VAL 15 1.177 -4.381 -1.520 142 3HG1 VAL 15 2HG VAL 15 0.843 -3.438 -0.076 143 1HG2 VAL 15 2HG VAL 15 -0.084 -2.717 -2.960 144 2HG2 VAL 15 3HG VAL 15 -1.702 -2.217 -2.479 145 3HG2 VAL 15 1HG VAL 15 -0.312 -1.760 -1.499 146 QG1 VAL 15 QG1 VAL 15 0.803 -4.319 -0.578 147 QG2 VAL 15 QG2 VAL 15 -0.699 -2.232 -2.313 148 QQG VAL 15 QQG VAL 15 0.052 -3.276 -1.445 149 H ASN 16 HN ASN 16 -0.362 -6.994 -1.104 150 HA ASN 16 HA ASN 16 -2.947 -8.032 -0.029 151 1HB ASN 16 2HB ASN 16 -0.297 -9.432 -0.541 152 2HB ASN 16 3HB ASN 16 -1.692 -10.181 0.199 153 1HD2 ASN 16 2HD ASN 16 -1.729 -9.373 -3.805 154 2HD2 ASN 16 1HD ASN 16 -0.618 -8.580 -2.788 155 QB ASN 16 QB ASN 16 -0.994 -9.806 -0.171 156 QD2 ASN 16 QD2 ASN 16 -1.174 -8.976 -3.297 157 H VAL 17 HN VAL 17 -2.932 -8.745 2.108 158 HA VAL 17 HA VAL 17 -0.631 -7.827 3.773 159 HB VAL 17 HB VAL 17 -3.595 -7.452 4.384 160 1HG1 VAL 17 1HG VAL 17 -2.169 -7.881 6.391 161 2HG1 VAL 17 2HG VAL 17 -1.142 -6.531 5.927 162 3HG1 VAL 17 3HG VAL 17 -2.821 -6.249 6.368 163 1HG2 VAL 17 2HG VAL 17 -1.444 -5.414 3.700 164 2HG2 VAL 17 3HG VAL 17 -2.794 -5.871 2.666 165 3HG2 VAL 17 1HG VAL 17 -3.093 -5.030 4.186 166 QG1 VAL 17 QG1 VAL 17 -2.044 -6.887 6.229 167 QG2 VAL 17 QG2 VAL 17 -2.444 -5.439 3.517 168 QQG VAL 17 QQG VAL 17 -2.244 -6.162 4.873 169 H GLU 18 HN GLU 18 0.002 -9.393 5.161 170 HA GLU 18 HA GLU 18 -1.814 -11.725 5.520 171 1HB GLU 18 2HB GLU 18 1.190 -11.424 5.416 172 2HB GLU 18 3HB GLU 18 0.442 -12.828 6.144 173 1HG GLU 18 2HG GLU 18 -0.168 -11.866 3.325 174 2HG GLU 18 3HG GLU 18 0.973 -13.154 3.695 175 QB GLU 18 QB GLU 18 0.817 -12.126 5.779 176 QG GLU 18 QG GLU 18 0.402 -12.509 3.510 177 H ASP 19 HN ASP 19 0.258 -9.410 7.165 178 HA ASP 19 HA ASP 19 -1.161 -10.062 9.679 179 1HB ASP 19 2HB ASP 19 0.812 -10.454 11.000 180 2HB ASP 19 3HB ASP 19 0.926 -11.517 9.621 181 QB ASP 19 QB ASP 19 0.869 -10.985 10.311 182 H GLU 20 HN GLU 20 0.412 -8.643 11.363 183 HA GLU 20 HA GLU 20 -0.390 -5.974 10.884 184 1HB GLU 20 2HB GLU 20 1.709 -7.196 12.715 185 2HB GLU 20 3HB GLU 20 1.199 -5.531 12.803 186 1HG GLU 20 2HG GLU 20 -0.394 -6.266 14.260 187 2HG GLU 20 3HG GLU 20 -1.231 -6.857 12.833 188 QB GLU 20 QB GLU 20 1.454 -6.364 12.759 189 QG GLU 20 QG GLU 20 -0.812 -6.561 13.546 190 H ASN 21 HN ASN 21 2.762 -7.576 10.452 191 HA ASN 21 HA ASN 21 4.470 -5.507 9.806 192 1HB ASN 21 2HB ASN 21 5.115 -7.901 9.667 193 2HB ASN 21 3HB ASN 21 4.200 -8.063 8.172 194 1HD2 ASN 21 2HD ASN 21 6.595 -6.262 6.225 195 2HD2 ASN 21 1HD ASN 21 5.041 -6.958 6.252 196 QB ASN 21 QB ASN 21 4.657 -7.982 8.919 197 QD2 ASN 21 QD2 ASN 21 5.817 -6.609 6.238 198 H ASP 22 HN ASP 22 2.656 -7.171 7.259 199 HA ASP 22 HA ASP 22 3.039 -5.422 5.137 200 1HB ASP 22 2HB ASP 22 0.760 -7.171 6.033 201 2HB ASP 22 3HB ASP 22 0.603 -6.268 4.543 202 QB ASP 22 QB ASP 22 0.681 -6.719 5.287 203 H ILE 23 HN ILE 23 0.567 -5.178 7.662 204 HA ILE 23 HA ILE 23 -0.674 -2.788 6.617 205 HB ILE 23 HB ILE 23 -0.542 -3.874 9.463 206 1HG1 ILE 23 2HG ILE 23 -2.661 -4.077 7.295 207 2HG1 ILE 23 3HG ILE 23 -1.584 -5.370 7.798 208 1HG2 ILE 23 2HG ILE 23 -2.366 -1.752 8.268 209 2HG2 ILE 23 3HG ILE 23 -2.487 -2.406 9.896 210 3HG2 ILE 23 1HG ILE 23 -1.086 -1.455 9.439 211 1HD1 ILE 23 3HD ILE 23 -2.534 -5.285 10.087 212 2HD1 ILE 23 1HD ILE 23 -3.649 -4.025 9.569 213 3HD1 ILE 23 2HD ILE 23 -3.769 -5.640 8.882 214 QG1 ILE 23 QG1 ILE 23 -2.123 -4.724 7.547 215 QG2 ILE 23 QG2 ILE 23 -1.979 -1.871 9.201 216 QD1 ILE 23 QD1 ILE 23 -3.317 -4.984 9.512 217 H SER 24 HN SER 24 1.909 -3.356 8.896 218 HA SER 24 HA SER 24 2.302 -0.630 9.756 219 1HB SER 24 2HB SER 24 4.419 -2.845 9.603 220 2HB SER 24 3HB SER 24 4.351 -1.488 10.747 221 HG SER 24 HG SER 24 2.785 -3.825 10.624 222 QB SER 24 QB SER 24 4.385 -2.166 10.175 223 H GLU 25 HN GLU 25 4.267 -2.627 7.506 224 HA GLU 25 HA GLU 25 5.816 -0.557 6.407 225 1HB GLU 25 2HB GLU 25 4.864 -3.231 5.510 226 2HB GLU 25 3HB GLU 25 5.284 -2.160 4.192 227 1HG GLU 25 2HG GLU 25 7.516 -1.758 5.299 228 2HG GLU 25 3HG GLU 25 7.063 -2.911 6.551 229 QB GLU 25 QB GLU 25 5.074 -2.696 4.851 230 QG GLU 25 QG GLU 25 7.289 -2.334 5.925 231 H LEU 26 HN LEU 26 2.506 -1.597 5.539 232 HA LEU 26 HA LEU 26 2.125 0.274 3.419 233 1HB LEU 26 2HB LEU 26 0.508 -1.588 4.524 234 2HB LEU 26 3HB LEU 26 -0.124 -0.191 5.370 235 HG LEU 26 HG LEU 26 0.098 -0.502 2.354 236 1HD1 LEU 26 1HD LEU 26 -1.688 -1.868 3.377 237 2HD1 LEU 26 2HD LEU 26 -2.315 -0.449 4.205 238 3HD1 LEU 26 3HD LEU 26 -2.380 -0.545 2.449 239 1HD2 LEU 26 2HD LEU 26 -1.072 1.758 4.025 240 2HD2 LEU 26 3HD LEU 26 0.373 1.859 3.021 241 3HD2 LEU 26 1HD LEU 26 -1.194 1.621 2.277 242 QB LEU 26 QB LEU 26 0.192 -0.889 4.947 243 QD1 LEU 26 QD1 LEU 26 -2.128 -0.954 3.343 244 QD2 LEU 26 QD2 LEU 26 -0.631 1.746 3.108 245 QQD LEU 26 QQD LEU 26 -1.379 0.396 3.225 246 H HIS 27 HN HIS 27 1.554 0.608 6.914 247 HA HIS 27 HA HIS 27 0.659 3.289 6.955 248 1HB HIS 27 2HB HIS 27 2.256 1.681 8.940 249 2HB HIS 27 3HB HIS 27 1.824 3.312 9.275 250 HD1 HIS 27 HD1 HIS 27 0.319 2.707 11.127 251 HD2 HIS 27 HD2 HIS 27 -0.872 0.852 7.670 252 HE1 HIS 27 HE1 HIS 27 -1.939 1.698 11.613 253 QB HIS 27 QB HIS 27 2.040 2.496 9.108 254 H GLU 28 HN GLU 28 4.049 2.231 7.557 255 HA GLU 28 HA GLU 28 5.405 4.460 7.826 256 1HB GLU 28 2HB GLU 28 5.981 2.078 6.026 257 2HB GLU 28 3HB GLU 28 7.121 3.086 6.803 258 1HG GLU 28 2HG GLU 28 5.410 1.051 8.078 259 2HG GLU 28 3HG GLU 28 7.124 1.308 8.265 260 QB GLU 28 QB GLU 28 6.551 2.582 6.414 261 QG GLU 28 QG GLU 28 6.267 1.180 8.172 262 H LEU 29 HN LEU 29 4.589 3.112 4.635 263 HA LEU 29 HA LEU 29 5.796 4.917 2.955 264 1HB LEU 29 2HB LEU 29 4.468 2.992 2.181 265 2HB LEU 29 3HB LEU 29 2.985 3.808 2.664 266 HG LEU 29 HG LEU 29 3.294 5.538 0.992 267 1HD1 LEU 29 3HD LEU 29 5.977 4.219 0.408 268 2HD1 LEU 29 1HD LEU 29 5.263 5.530 -0.524 269 3HD1 LEU 29 2HD LEU 29 5.746 5.805 1.141 270 1HD2 LEU 29 1HD LEU 29 3.948 2.801 -0.156 271 2HD2 LEU 29 2HD LEU 29 2.334 3.411 0.187 272 3HD2 LEU 29 3HD LEU 29 3.304 4.157 -1.077 273 QB LEU 29 QB LEU 29 3.727 3.401 2.423 274 QD1 LEU 29 QD1 LEU 29 5.662 5.185 0.341 275 QD2 LEU 29 QD2 LEU 29 3.196 3.456 -0.348 276 QQD LEU 29 QQD LEU 29 4.429 4.321 -0.004 277 H ALA 30 HN ALA 30 2.644 5.494 4.534 278 HA ALA 30 HA ALA 30 2.234 8.040 3.203 279 1HB ALA 30 1HB ALA 30 0.981 6.890 5.713 280 2HB ALA 30 2HB ALA 30 0.411 8.331 4.876 281 3HB ALA 30 3HB ALA 30 0.347 6.764 4.074 282 QB ALA 30 QB ALA 30 0.580 7.329 4.887 283 H SER 31 HN SER 31 4.726 7.500 5.005 284 HA SER 31 HA SER 31 4.525 9.889 6.767 285 1HB SER 31 2HB SER 31 6.791 7.867 6.443 286 2HB SER 31 3HB SER 31 6.677 9.121 7.695 287 HG SER 31 HG SER 31 5.113 6.822 7.283 288 QB SER 31 QB SER 31 6.734 8.494 7.069 289 H THR 32 HN THR 32 5.912 8.762 3.805 290 HA THR 32 HA THR 32 7.385 11.361 3.486 291 HB THR 32 HB THR 32 8.741 9.980 1.747 292 HG1 THR 32 1HG THR 32 7.887 7.746 3.183 293 1HG2 THR 32 2HG THR 32 8.812 8.978 4.640 294 2HG2 THR 32 3HG THR 32 10.115 8.825 3.463 295 3HG2 THR 32 1HG THR 32 9.659 10.412 4.071 296 QG2 THR 32 QG2 THR 32 9.529 9.405 4.058 297 NH1 ARG 33 NH2 ARG 33 9.157 9.864 -4.341 298 NH2 ARG 33 NH1 ARG 33 7.654 11.578 -4.418 299 H ARG 33 HN ARG 33 5.863 8.771 1.616 300 HA ARG 33 HA ARG 33 4.844 10.843 -0.299 301 1HB ARG 33 2HB ARG 33 5.142 7.891 -0.881 302 2HB ARG 33 3HB ARG 33 5.045 9.224 -2.028 303 1HG ARG 33 2HG ARG 33 7.232 10.073 -0.802 304 2HG ARG 33 3HG ARG 33 7.361 8.404 -0.263 305 1HD ARG 33 2HD ARG 33 8.618 8.618 -2.310 306 2HD ARG 33 3HD ARG 33 7.159 7.700 -2.688 307 HE ARG 33 HE ARG 33 6.167 9.907 -3.491 308 1HH1 ARG 33 2HH ARG 33 9.403 8.971 -3.974 309 2HH1 ARG 33 1HH ARG 33 9.791 10.339 -4.961 310 1HH2 ARG 33 2HH ARG 33 6.718 11.907 -4.206 311 2HH2 ARG 33 1HH ARG 33 8.288 12.166 -4.923 312 QB ARG 33 QB ARG 33 5.094 8.557 -1.454 313 QG ARG 33 QG ARG 33 7.296 9.239 -0.532 314 QD ARG 33 QD ARG 33 7.888 8.159 -2.499 315 QH1 ARG 33 QH2 ARG 33 9.596 9.655 -4.468 316 QH2 ARG 33 QH1 ARG 33 7.503 12.037 -4.564 317 H GLN 34 HN GLN 34 2.730 11.130 -0.281 318 HA GLN 34 HA GLN 34 1.027 9.197 1.208 319 1HB GLN 34 2HB GLN 34 -0.635 11.193 1.058 320 2HB GLN 34 3HB GLN 34 0.759 11.348 2.117 321 1HG GLN 34 2HG GLN 34 1.687 13.015 0.859 322 2HG GLN 34 3HG GLN 34 1.296 12.222 -0.662 323 1HE2 GLN 34 2HE GLN 34 -1.571 14.659 0.979 324 2HE2 GLN 34 1HE GLN 34 -0.492 13.860 2.019 325 QB GLN 34 QB GLN 34 0.062 11.270 1.588 326 QG GLN 34 QG GLN 34 1.492 12.620 0.098 327 QE2 GLN 34 QE2 GLN 34 -1.031 14.259 1.499 328 H ILE 35 HN ILE 35 -0.558 8.078 0.301 329 HA ILE 35 HA ILE 35 -1.288 8.667 -2.536 330 HB ILE 35 HB ILE 35 -1.645 6.126 -2.699 331 1HG1 ILE 35 2HG ILE 35 -1.233 6.086 -0.026 332 2HG1 ILE 35 3HG ILE 35 -0.911 4.701 -1.047 333 1HG2 ILE 35 2HG ILE 35 1.154 7.273 -2.395 334 2HG2 ILE 35 3HG ILE 35 0.764 5.775 -3.237 335 3HG2 ILE 35 1HG ILE 35 0.166 7.312 -3.847 336 1HD1 ILE 35 2HD ILE 35 1.155 6.759 -0.168 337 2HD1 ILE 35 3HD ILE 35 0.974 5.138 0.490 338 3HD1 ILE 35 1HD ILE 35 1.479 5.357 -1.182 339 QG1 ILE 35 QG1 ILE 35 -1.071 5.394 -0.537 340 QG2 ILE 35 QG2 ILE 35 0.694 6.787 -3.160 341 QD1 ILE 35 QD1 ILE 35 1.203 5.751 -0.286 342 H ASP 36 HN ASP 36 -3.359 7.473 -3.128 343 HA ASP 36 HA ASP 36 -5.394 8.005 -1.006 344 1HB ASP 36 2HB ASP 36 -6.181 7.505 -3.851 345 2HB ASP 36 3HB ASP 36 -6.809 8.692 -2.718 346 QB ASP 36 QB ASP 36 -6.495 8.099 -3.284 347 H PHE 37 HN PHE 37 -7.168 6.378 -0.796 348 HA PHE 37 HA PHE 37 -6.386 3.676 -1.834 349 1HB PHE 37 2HB PHE 37 -7.319 4.372 0.971 350 2HB PHE 37 3HB PHE 37 -7.228 2.725 0.360 351 HD1 PHE 37 1HD PHE 37 -5.147 5.777 0.921 352 HD2 PHE 37 2HD PHE 37 -5.179 1.555 0.409 353 HE1 PHE 37 1HE PHE 37 -2.751 5.702 1.406 354 HE2 PHE 37 2HE PHE 37 -2.765 1.480 0.837 355 HZ PHE 37 HZ PHE 37 -1.545 3.556 1.360 356 QB PHE 37 QB PHE 37 -7.274 3.548 0.666 357 QR PHE 37 QR PHE 37 -3.961 3.628 0.894 358 CH2 TRP 38 CH2 TRP 38 -9.001 4.624 -8.536 359 H TRP 38 HN TRP 38 -8.057 2.124 -2.072 360 HA TRP 38 HA TRP 38 -10.803 3.302 -2.143 361 1HB TRP 38 2HB TRP 38 -9.416 1.543 -4.151 362 2HB TRP 38 3HB TRP 38 -11.146 1.740 -4.130 363 HD1 TRP 38 HD1 TRP 38 -10.851 4.979 -3.335 364 HE1 TRP 38 HE1 TRP 38 -10.492 6.559 -5.214 365 HE3 TRP 38 HE3 TRP 38 -9.007 1.755 -6.704 366 HZ2 TRP 38 HZ2 TRP 38 -9.646 6.540 -7.841 367 HZ3 TRP 38 HZ3 TRP 38 -8.461 2.605 -8.970 368 HH2 TRP 38 HH2 TRP 38 -8.760 4.980 -9.530 369 QB TRP 38 QB TRP 38 -10.281 1.641 -4.141 370 H LYS 39 HN LYS 39 -9.169 0.097 -2.181 371 HA LYS 39 HA LYS 39 -11.474 -0.823 -0.468 372 1HB LYS 39 2HB LYS 39 -9.807 -2.576 -2.298 373 2HB LYS 39 3HB LYS 39 -11.257 -3.042 -1.423 374 1HG LYS 39 2HG LYS 39 -12.520 -1.276 -2.699 375 2HG LYS 39 3HG LYS 39 -11.070 -1.013 -3.660 376 1HD LYS 39 2HD LYS 39 -11.163 -3.609 -4.070 377 2HD LYS 39 3HD LYS 39 -12.843 -3.456 -3.547 378 1HE LYS 39 2HE LYS 39 -12.843 -3.166 -5.939 379 2HE LYS 39 3HE LYS 39 -13.086 -1.568 -5.237 380 1HZ LYS 39 2HZ LYS 39 -10.308 -2.187 -5.495 381 2HZ LYS 39 3HZ LYS 39 -11.090 -2.328 -6.986 382 3HZ LYS 39 1HZ LYS 39 -11.179 -0.857 -6.135 383 QB LYS 39 QB LYS 39 -10.532 -2.809 -1.860 384 QG LYS 39 QG LYS 39 -11.795 -1.144 -3.179 385 QD LYS 39 QD LYS 39 -12.003 -3.533 -3.809 386 QE LYS 39 QE LYS 39 -12.965 -2.367 -5.588 387 QZ LYS 39 QZ LYS 39 -10.859 -1.790 -6.206 388 HA PRO 40 HA PRO 40 -11.979 -2.829 0.500 389 1HB PRO 40 2HB PRO 40 -12.074 -3.503 3.206 390 2HB PRO 40 3HB PRO 40 -11.694 -4.626 1.899 391 1HG PRO 40 2HG PRO 40 -9.809 -3.205 3.774 392 2HG PRO 40 3HG PRO 40 -9.700 -4.842 3.115 393 1HD PRO 40 2HD PRO 40 -8.207 -2.775 2.104 394 2HD PRO 40 3HD PRO 40 -8.781 -4.113 1.092 395 QB PRO 40 QB PRO 40 -11.883 -4.065 2.553 396 QG PRO 40 QG PRO 40 -9.755 -4.023 3.444 397 QD PRO 40 QD PRO 40 -8.494 -3.444 1.598 398 H ASP 41 HN ASP 41 -10.688 -1.367 3.456 399 HA ASP 41 HA ASP 41 -12.755 0.795 3.244 400 1HB ASP 41 2HB ASP 41 -13.204 -0.890 5.048 401 2HB ASP 41 3HB ASP 41 -11.656 -0.509 5.776 402 QB ASP 41 QB ASP 41 -12.429 -0.700 5.412 403 H SER 42 HN SER 42 -10.708 1.050 5.882 404 HA SER 42 HA SER 42 -8.912 2.968 4.450 405 1HB SER 42 2HB SER 42 -9.711 3.068 7.394 406 2HB SER 42 3HB SER 42 -8.930 4.348 6.444 407 HG SER 42 HG SER 42 -11.550 3.314 6.270 408 QB SER 42 QB SER 42 -9.320 3.708 6.918 409 H VAL 43 HN VAL 43 -6.748 3.058 5.205 410 HA VAL 43 HA VAL 43 -5.333 0.753 5.552 411 HB VAL 43 HB VAL 43 -4.314 2.954 5.190 412 1HG1 VAL 43 1HG VAL 43 -5.786 4.228 6.771 413 2HG1 VAL 43 2HG VAL 43 -4.907 3.511 8.117 414 3HG1 VAL 43 3HG VAL 43 -4.078 4.581 6.998 415 1HG2 VAL 43 1HG VAL 43 -2.892 1.154 6.103 416 2HG2 VAL 43 2HG VAL 43 -2.366 2.734 6.672 417 3HG2 VAL 43 3HG VAL 43 -3.281 1.672 7.738 418 QG1 VAL 43 QG1 VAL 43 -4.924 4.107 7.295 419 QG2 VAL 43 QG2 VAL 43 -2.846 1.853 6.838 420 QQG VAL 43 QQG VAL 43 -3.885 2.979 7.066 421 H THR 44 HN THR 44 -6.749 2.604 8.217 422 HA THR 44 HA THR 44 -5.769 0.928 10.336 423 HB THR 44 HB THR 44 -7.806 2.214 11.521 424 HG1 THR 44 1HG THR 44 -8.903 2.946 9.782 425 1HG2 THR 44 1HG THR 44 -5.551 3.774 10.160 426 2HG2 THR 44 2HG THR 44 -6.459 4.295 11.574 427 3HG2 THR 44 3HG THR 44 -5.361 2.922 11.689 428 QG2 THR 44 QG2 THR 44 -5.791 3.663 11.141 429 H GLN 45 HN GLN 45 -8.632 0.821 8.366 430 HA GLN 45 HA GLN 45 -9.928 -1.206 10.096 431 1HB GLN 45 2HB GLN 45 -11.279 0.631 9.202 432 2HB GLN 45 3HB GLN 45 -10.785 0.237 7.571 433 1HG GLN 45 2HG GLN 45 -13.050 -0.586 8.008 434 2HG GLN 45 3HG GLN 45 -11.961 -1.929 7.724 435 1HE2 GLN 45 2HE GLN 45 -13.865 -1.610 11.285 436 2HE2 GLN 45 1HE GLN 45 -14.050 -0.421 10.082 437 QB GLN 45 QB GLN 45 -11.033 0.434 8.387 438 QG GLN 45 QG GLN 45 -12.505 -1.257 7.866 439 QE2 GLN 45 QE2 GLN 45 -13.957 -1.015 10.684 440 H ILE 46 HN ILE 46 -7.846 -1.069 7.416 441 HA ILE 46 HA ILE 46 -8.585 -3.365 5.914 442 HB ILE 46 HB ILE 46 -6.210 -1.671 6.282 443 1HG1 ILE 46 2HG ILE 46 -5.893 -2.339 3.829 444 2HG1 ILE 46 3HG ILE 46 -7.370 -3.278 3.998 445 1HG2 ILE 46 3HG ILE 46 -5.657 -4.583 5.625 446 2HG2 ILE 46 1HG ILE 46 -4.507 -3.259 5.469 447 3HG2 ILE 46 2HG ILE 46 -5.100 -3.720 7.059 448 1HD1 ILE 46 1HD ILE 46 -8.579 -1.215 4.708 449 2HD1 ILE 46 2HD ILE 46 -7.088 -0.299 4.523 450 3HD1 ILE 46 3HD ILE 46 -7.857 -1.010 3.114 451 QG1 ILE 46 QG1 ILE 46 -6.631 -2.807 3.913 452 QG2 ILE 46 QG2 ILE 46 -5.088 -3.854 6.051 453 QD1 ILE 46 QD1 ILE 46 -7.841 -0.841 4.115 454 H LYS 47 HN LYS 47 -7.900 -5.607 6.126 455 HA LYS 47 HA LYS 47 -7.010 -6.311 8.894 456 1HB LYS 47 2HB LYS 47 -9.304 -7.277 7.316 457 2HB LYS 47 3HB LYS 47 -8.303 -8.585 7.920 458 1HG LYS 47 2HG LYS 47 -9.892 -8.174 9.655 459 2HG LYS 47 3HG LYS 47 -8.401 -7.437 10.215 460 1HD LYS 47 2HD LYS 47 -10.003 -5.763 10.629 461 2HD LYS 47 3HD LYS 47 -9.296 -5.258 9.101 462 1HE LYS 47 2HE LYS 47 -11.156 -6.476 7.910 463 2HE LYS 47 3HE LYS 47 -11.889 -6.794 9.476 464 1HZ LYS 47 3HZ LYS 47 -11.241 -4.029 9.208 465 2HZ LYS 47 1HZ LYS 47 -12.179 -4.539 7.901 466 3HZ LYS 47 2HZ LYS 47 -12.759 -4.752 9.485 467 QB LYS 47 QB LYS 47 -8.803 -7.930 7.617 468 QG LYS 47 QG LYS 47 -9.146 -7.806 9.936 469 QD LYS 47 QD LYS 47 -9.650 -5.511 9.865 470 QE LYS 47 QE LYS 47 -11.522 -6.634 8.693 471 QZ LYS 47 QZ LYS 47 -12.060 -4.441 8.865 472 HA PRO 48 HA PRO 48 -3.954 -8.918 6.911 473 1HB PRO 48 2HB PRO 48 -4.454 -11.093 8.842 474 2HB PRO 48 3HB PRO 48 -3.017 -10.090 8.636 475 1HG PRO 48 2HG PRO 48 -4.675 -9.840 10.808 476 2HG PRO 48 3HG PRO 48 -3.732 -8.490 10.156 477 1HD PRO 48 2HD PRO 48 -6.663 -9.106 9.783 478 2HD PRO 48 3HD PRO 48 -5.861 -7.531 9.961 479 QB PRO 48 QB PRO 48 -3.736 -10.592 8.739 480 QG PRO 48 QG PRO 48 -4.204 -9.165 10.482 481 QD PRO 48 QD PRO 48 -6.262 -8.318 9.873 482 H HIS 49 HN HIS 49 -3.687 -10.868 5.727 483 HA HIS 49 HA HIS 49 -4.381 -12.440 4.164 484 1HB HIS 49 2HB HIS 49 -6.531 -13.020 6.210 485 2HB HIS 49 3HB HIS 49 -6.016 -14.088 4.932 486 HD1 HIS 49 HD1 HIS 49 -3.021 -13.897 5.232 487 HD2 HIS 49 HD2 HIS 49 -5.493 -14.287 8.507 488 HE1 HIS 49 HE1 HIS 49 -1.640 -14.932 7.053 489 QB HIS 49 QB HIS 49 -6.274 -13.554 5.571 490 H SER 50 HN SER 50 -5.150 -9.963 3.646 491 HA SER 50 HA SER 50 -7.515 -10.323 1.938 492 1HB SER 50 2HB SER 50 -7.383 -8.115 4.042 493 2HB SER 50 3HB SER 50 -8.602 -8.223 2.763 494 HG SER 50 HG SER 50 -8.372 -10.625 3.955 495 QB SER 50 QB SER 50 -7.993 -8.169 3.403 496 H THR 51 HN THR 51 -7.614 -8.308 0.391 497 HA THR 51 HA THR 51 -4.867 -7.150 0.179 498 HB THR 51 HB THR 51 -4.995 -7.362 -2.258 499 HG1 THR 51 1HG THR 51 -7.555 -7.167 -1.780 500 1HG2 THR 51 2HG THR 51 -4.560 -9.533 -0.952 501 2HG2 THR 51 3HG THR 51 -6.277 -9.873 -1.085 502 3HG2 THR 51 1HG THR 51 -5.285 -9.783 -2.536 503 QG2 THR 51 QG2 THR 51 -5.374 -9.730 -1.525 504 H VAL 52 HN VAL 52 -4.665 -5.045 -0.285 505 HA VAL 52 HA VAL 52 -7.113 -3.362 -0.085 506 HB VAL 52 HB VAL 52 -5.421 -2.917 1.624 507 1HG1 VAL 52 1HG VAL 52 -3.474 -2.636 -0.687 508 2HG1 VAL 52 2HG VAL 52 -3.099 -2.281 0.992 509 3HG1 VAL 52 3HG VAL 52 -3.481 -3.926 0.511 510 1HG2 VAL 52 2HG VAL 52 -5.287 -0.803 -0.552 511 2HG2 VAL 52 3HG VAL 52 -6.431 -0.863 0.780 512 3HG2 VAL 52 1HG VAL 52 -4.735 -0.574 1.102 513 QG1 VAL 52 QG1 VAL 52 -3.351 -2.947 0.272 514 QG2 VAL 52 QG2 VAL 52 -5.484 -0.746 0.443 515 QQG VAL 52 QQG VAL 52 -4.418 -1.847 0.358 516 H ASP 53 HN ASP 53 -7.603 -1.876 -1.656 517 HA ASP 53 HA ASP 53 -5.928 -1.983 -4.153 518 1HB ASP 53 2HB ASP 53 -8.922 -1.515 -3.872 519 2HB ASP 53 3HB ASP 53 -8.035 -1.280 -5.366 520 QB ASP 53 QB ASP 53 -8.479 -1.398 -4.619 521 H PHE 54 HN PHE 54 -4.746 -0.173 -4.172 522 HA PHE 54 HA PHE 54 -6.121 2.384 -3.522 523 1HB PHE 54 2HB PHE 54 -4.457 3.087 -2.029 524 2HB PHE 54 3HB PHE 54 -4.517 1.372 -1.672 525 HD1 PHE 54 2HD PHE 54 -2.787 -0.157 -2.830 526 HD2 PHE 54 1HD PHE 54 -2.491 4.097 -2.855 527 HE1 PHE 54 2HE PHE 54 -0.395 -0.321 -3.348 528 HE2 PHE 54 1HE PHE 54 -0.103 3.918 -3.371 529 HZ PHE 54 HZ PHE 54 0.959 1.712 -3.583 530 QB PHE 54 QB PHE 54 -4.487 2.229 -1.850 531 QR PHE 54 QR PHE 54 -1.444 1.885 -3.101 532 NH1 ARG 55 NH2 ARG 55 -5.252 10.012 -7.155 533 NH2 ARG 55 NH1 ARG 55 -7.097 9.550 -8.416 534 H ARG 55 HN ARG 55 -4.647 4.257 -4.275 535 HA ARG 55 HA ARG 55 -3.388 3.413 -6.851 536 1HB ARG 55 2HB ARG 55 -4.472 5.204 -8.030 537 2HB ARG 55 3HB ARG 55 -5.718 4.346 -7.145 538 1HG ARG 55 2HG ARG 55 -5.559 6.070 -5.334 539 2HG ARG 55 3HG ARG 55 -4.389 6.948 -6.312 540 1HD ARG 55 2HD ARG 55 -6.136 6.969 -8.180 541 2HD ARG 55 3HD ARG 55 -7.288 6.372 -6.987 542 HE ARG 55 HE ARG 55 -6.829 8.481 -5.680 543 1HH1 ARG 55 2HH ARG 55 -4.693 9.791 -6.344 544 2HH1 ARG 55 1HH ARG 55 -4.961 10.749 -7.776 545 1HH2 ARG 55 2HH ARG 55 -7.902 8.985 -8.566 546 2HH2 ARG 55 1HH ARG 55 -6.874 10.286 -9.066 547 QB ARG 55 QB ARG 55 -5.095 4.775 -7.587 548 QG ARG 55 QG ARG 55 -4.974 6.509 -5.823 549 QD ARG 55 QD ARG 55 -6.711 6.671 -7.584 550 QH1 ARG 55 QH2 ARG 55 -4.827 10.270 -7.060 551 QH2 ARG 55 QH1 ARG 55 -7.388 9.635 -8.816 552 H VAL 56 HN VAL 56 -2.061 5.083 -7.818 553 HA VAL 56 HA VAL 56 -0.554 6.622 -5.744 554 HB VAL 56 HB VAL 56 0.556 5.351 -8.283 555 1HG1 VAL 56 2HG VAL 56 1.905 6.628 -5.882 556 2HG1 VAL 56 3HG VAL 56 2.756 5.831 -7.198 557 3HG1 VAL 56 1HG VAL 56 1.839 7.305 -7.500 558 1HG2 VAL 56 3HG VAL 56 0.755 4.408 -5.407 559 2HG2 VAL 56 1HG VAL 56 -0.136 3.597 -6.678 560 3HG2 VAL 56 2HG VAL 56 1.622 3.689 -6.761 561 QG1 VAL 56 QG1 VAL 56 2.167 6.588 -6.860 562 QG2 VAL 56 QG2 VAL 56 0.747 3.898 -6.282 563 QQG VAL 56 QQG VAL 56 1.457 5.243 -6.571 564 H LYS 57 HN LYS 57 -0.181 8.764 -6.230 565 HA LYS 57 HA LYS 57 -1.401 9.780 -8.738 566 1HB LYS 57 2HB LYS 57 -0.079 11.701 -6.891 567 2HB LYS 57 3HB LYS 57 -1.637 11.815 -7.685 568 1HG LYS 57 2HG LYS 57 -2.542 11.428 -5.644 569 2HG LYS 57 3HG LYS 57 -2.084 9.752 -5.888 570 1HD LYS 57 2HD LYS 57 -1.173 10.405 -3.752 571 2HD LYS 57 3HD LYS 57 0.195 10.351 -4.860 572 1HE LYS 57 2HE LYS 57 0.014 12.806 -5.198 573 2HE LYS 57 3HE LYS 57 -1.357 12.855 -4.098 574 1HZ LYS 57 3HZ LYS 57 0.769 11.536 -2.811 575 2HZ LYS 57 1HZ LYS 57 1.372 12.975 -3.456 576 3HZ LYS 57 2HZ LYS 57 0.031 13.014 -2.413 577 QB LYS 57 QB LYS 57 -0.857 11.758 -7.288 578 QG LYS 57 QG LYS 57 -2.313 10.591 -5.766 579 QD LYS 57 QD LYS 57 -0.489 10.379 -4.306 580 QE LYS 57 QE LYS 57 -0.672 12.830 -4.648 581 QZ LYS 57 QZ LYS 57 0.724 12.508 -2.894 582 H ALA 58 HN ALA 58 -0.006 11.688 -9.710 583 HA ALA 58 HA ALA 58 2.525 10.458 -10.539 584 1HB ALA 58 1HB ALA 58 1.030 11.568 -12.093 585 2HB ALA 58 2HB ALA 58 1.273 13.094 -11.233 586 3HB ALA 58 3HB ALA 58 2.625 12.324 -12.063 587 QB ALA 58 QB ALA 58 1.642 12.329 -11.796 588 H GLU 59 HN GLU 59 2.554 11.043 -8.052 589 HA GLU 59 HA GLU 59 4.293 13.382 -7.440 590 1HB GLU 59 2HB GLU 59 2.336 12.693 -5.933 591 2HB GLU 59 3HB GLU 59 3.211 11.211 -5.576 592 1HG GLU 59 2HG GLU 59 5.143 13.108 -5.064 593 2HG GLU 59 3HG GLU 59 3.687 13.966 -4.581 594 QB GLU 59 QB GLU 59 2.774 11.952 -5.754 595 QG GLU 59 QG GLU 59 4.415 13.537 -4.822 596 H ASP 60 HN ASP 60 5.443 11.834 -9.135 597 HA ASP 60 HA ASP 60 7.338 10.590 -9.628 598 1HB ASP 60 2HB ASP 60 8.352 11.972 -7.743 599 2HB ASP 60 3HB ASP 60 7.948 10.646 -6.659 600 QB ASP 60 QB ASP 60 8.151 11.308 -7.202 601 H ILE 61 HN ILE 61 5.039 9.422 -9.472 602 HA ILE 61 HA ILE 61 4.138 7.346 -8.083 603 HB ILE 61 HB ILE 61 4.904 6.894 -10.986 604 1HG1 ILE 61 2HG ILE 61 2.495 8.358 -9.931 605 2HG1 ILE 61 3HG ILE 61 3.875 9.118 -10.709 606 1HG2 ILE 61 2HG ILE 61 3.918 4.967 -9.695 607 2HG2 ILE 61 3HG ILE 61 2.507 5.969 -9.358 608 3HG2 ILE 61 1HG ILE 61 2.878 5.498 -11.006 609 1HD1 ILE 61 2HD ILE 61 3.449 7.760 -12.751 610 2HD1 ILE 61 3HD ILE 61 2.024 7.079 -11.976 611 3HD1 ILE 61 1HD ILE 61 2.084 8.790 -12.345 612 QG1 ILE 61 QG1 ILE 61 3.185 8.739 -10.320 613 QG2 ILE 61 QG2 ILE 61 3.101 5.477 -10.020 614 QD1 ILE 61 QD1 ILE 61 2.518 7.877 -12.358 615 H LEU 62 HN LEU 62 7.056 7.068 -10.007 616 HA LEU 62 HA LEU 62 7.588 4.329 -9.530 617 1HB LEU 62 2HB LEU 62 8.827 6.494 -10.875 618 2HB LEU 62 3HB LEU 62 10.048 5.824 -9.808 619 HG LEU 62 HG LEU 62 8.349 4.184 -11.738 620 1HD1 LEU 62 3HD LEU 62 11.233 5.132 -11.971 621 2HD1 LEU 62 1HD LEU 62 10.417 4.047 -13.096 622 3HD1 LEU 62 2HD LEU 62 9.881 5.716 -12.937 623 1HD2 LEU 62 1HD LEU 62 10.818 3.483 -10.091 624 2HD2 LEU 62 2HD LEU 62 9.186 2.913 -9.776 625 3HD2 LEU 62 3HD LEU 62 10.022 2.411 -11.239 626 QB LEU 62 QB LEU 62 9.438 6.160 -10.341 627 QD1 LEU 62 QD1 LEU 62 10.510 4.965 -12.668 628 QD2 LEU 62 QD2 LEU 62 10.009 2.936 -10.368 629 QQD LEU 62 QQD LEU 62 10.259 3.950 -11.518 630 H ALA 63 HN ALA 63 7.338 6.515 -7.149 631 HA ALA 63 HA ALA 63 9.587 5.407 -5.553 632 1HB ALA 63 3HB ALA 63 9.211 7.844 -5.563 633 2HB ALA 63 1HB ALA 63 7.592 7.599 -4.911 634 3HB ALA 63 2HB ALA 63 9.005 7.154 -3.947 635 QB ALA 63 QB ALA 63 8.602 7.533 -4.807 636 H VAL 64 HN VAL 64 6.204 5.197 -6.049 637 HA VAL 64 HA VAL 64 5.698 3.798 -3.491 638 HB VAL 64 HB VAL 64 3.866 4.306 -5.879 639 1HG1 VAL 64 3HG VAL 64 3.307 3.053 -3.158 640 2HG1 VAL 64 1HG VAL 64 2.081 3.453 -4.349 641 3HG1 VAL 64 2HG VAL 64 3.272 2.213 -4.707 642 1HG2 VAL 64 2HG VAL 64 3.975 5.534 -3.100 643 2HG2 VAL 64 3HG VAL 64 4.355 6.356 -4.607 644 3HG2 VAL 64 1HG VAL 64 2.704 5.840 -4.274 645 QG1 VAL 64 QG1 VAL 64 2.886 2.906 -4.071 646 QG2 VAL 64 QG2 VAL 64 3.678 5.910 -3.994 647 QQG VAL 64 QQG VAL 64 3.282 4.408 -4.033 648 H GLU 65 HN GLU 65 5.456 3.126 -7.004 649 HA GLU 65 HA GLU 65 5.159 0.319 -6.856 650 1HB GLU 65 2HB GLU 65 6.819 1.909 -8.869 651 2HB GLU 65 3HB GLU 65 6.315 0.239 -9.083 652 1HG GLU 65 2HG GLU 65 3.925 0.941 -8.967 653 2HG GLU 65 3HG GLU 65 4.422 2.611 -8.770 654 QB GLU 65 QB GLU 65 6.567 1.074 -8.976 655 QG GLU 65 QG GLU 65 4.173 1.776 -8.869 656 H ASP 66 HN ASP 66 7.933 2.389 -6.595 657 HA ASP 66 HA ASP 66 10.060 0.544 -6.288 658 1HB ASP 66 2HB ASP 66 10.590 2.836 -6.545 659 2HB ASP 66 3HB ASP 66 9.441 3.351 -5.346 660 QB ASP 66 QB ASP 66 10.016 3.094 -5.945 661 H PHE 67 HN PHE 67 8.579 2.271 -3.536 662 HA PHE 67 HA PHE 67 9.295 0.624 -1.409 663 1HB PHE 67 2HB PHE 67 7.833 2.685 -1.310 664 2HB PHE 67 3HB PHE 67 6.475 1.692 -1.818 665 HD1 PHE 67 2HD PHE 67 9.246 1.532 0.731 666 HD2 PHE 67 1HD PHE 67 5.125 0.844 -0.112 667 HE1 PHE 67 2HE PHE 67 8.850 0.964 3.090 668 HE2 PHE 67 1HE PHE 67 4.734 0.306 2.247 669 HZ PHE 67 HZ PHE 67 6.590 0.366 3.854 670 QB PHE 67 QB PHE 67 7.154 2.189 -1.564 671 QR PHE 67 QR PHE 67 6.989 0.912 1.489 672 H LEU 68 HN LEU 68 6.541 0.013 -3.546 673 HA LEU 68 HA LEU 68 5.788 -2.438 -2.237 674 1HB LEU 68 2HB LEU 68 5.349 -1.647 -5.134 675 2HB LEU 68 3HB LEU 68 4.509 -2.938 -4.287 676 HG LEU 68 HG LEU 68 4.402 0.025 -3.578 677 1HD1 LEU 68 3HD LEU 68 2.317 -1.874 -4.708 678 2HD1 LEU 68 1HD LEU 68 2.026 -0.199 -4.252 679 3HD1 LEU 68 2HD LEU 68 3.105 -0.570 -5.589 680 1HD2 LEU 68 3HD LEU 68 2.986 -2.356 -2.306 681 2HD2 LEU 68 1HD LEU 68 4.258 -1.399 -1.551 682 3HD2 LEU 68 2HD LEU 68 2.704 -0.664 -1.902 683 QB LEU 68 QB LEU 68 4.929 -2.292 -4.710 684 QD1 LEU 68 QD1 LEU 68 2.483 -0.881 -4.850 685 QD2 LEU 68 QD2 LEU 68 3.316 -1.473 -1.920 686 QQD LEU 68 QQD LEU 68 2.900 -1.177 -3.385 687 H GLU 69 HN GLU 69 8.033 -1.714 -4.824 688 HA GLU 69 HA GLU 69 8.658 -4.558 -5.263 689 1HB GLU 69 2HB GLU 69 8.738 -2.995 -7.166 690 2HB GLU 69 3HB GLU 69 9.871 -1.977 -6.322 691 1HG GLU 69 2HG GLU 69 10.667 -4.843 -6.625 692 2HG GLU 69 3HG GLU 69 10.641 -3.891 -8.098 693 QB GLU 69 QB GLU 69 9.305 -2.485 -6.744 694 QG GLU 69 QG GLU 69 10.655 -4.367 -7.362 695 H GLN 70 HN GLN 70 10.725 -1.812 -4.597 696 HA GLN 70 HA GLN 70 13.001 -2.698 -3.598 697 1HB GLN 70 2HB GLN 70 12.094 -0.316 -3.483 698 2HB GLN 70 3HB GLN 70 11.358 -0.745 -1.942 699 1HG GLN 70 2HG GLN 70 13.566 -1.318 -1.025 700 2HG GLN 70 3HG GLN 70 14.322 -0.978 -2.573 701 1HE2 GLN 70 2HE GLN 70 13.198 2.638 -1.927 702 2HE2 GLN 70 1HE GLN 70 12.498 1.481 -2.938 703 QB GLN 70 QB GLN 70 11.725 -0.530 -2.712 704 QG GLN 70 QG GLN 70 13.944 -1.148 -1.798 705 QE2 GLN 70 QE2 GLN 70 12.849 2.059 -2.432 706 H ASN 71 HN ASN 71 10.121 -2.596 -1.495 707 HA ASN 71 HA ASN 71 11.329 -4.802 0.093 708 1HB ASN 71 2HB ASN 71 9.619 -3.818 1.871 709 2HB ASN 71 3HB ASN 71 11.232 -3.151 1.689 710 1HD2 ASN 71 2HD ASN 71 8.041 -0.876 0.891 711 2HD2 ASN 71 1HD ASN 71 7.872 -2.469 1.405 712 QB ASN 71 QB ASN 71 10.426 -3.485 1.780 713 QD2 ASN 71 QD2 ASN 71 7.956 -1.673 1.148 714 H GLU 72 HN GLU 72 10.098 -5.625 -2.008 715 HA GLU 72 HA GLU 72 7.879 -6.270 -2.866 716 1HB GLU 72 2HB GLU 72 9.587 -8.030 -2.832 717 2HB GLU 72 3HB GLU 72 9.136 -8.443 -1.183 718 1HG GLU 72 2HG GLU 72 8.089 -9.900 -3.033 719 2HG GLU 72 3HG GLU 72 6.960 -9.217 -1.873 720 QB GLU 72 QB GLU 72 9.362 -8.237 -2.007 721 QG GLU 72 QG GLU 72 7.525 -9.558 -2.453 722 H LEU 73 HN LEU 73 6.594 -4.874 -1.595 723 HA LEU 73 HA LEU 73 5.338 -5.978 0.782 724 1HB LEU 73 2HB LEU 73 5.804 -3.500 0.269 725 2HB LEU 73 3HB LEU 73 4.446 -3.580 -0.842 726 HG LEU 73 HG LEU 73 2.969 -4.297 0.994 727 1HD1 LEU 73 1HD LEU 73 5.475 -3.945 2.692 728 2HD1 LEU 73 2HD LEU 73 3.854 -4.088 3.359 729 3HD1 LEU 73 3HD LEU 73 4.558 -5.433 2.475 730 1HD2 LEU 73 2HD LEU 73 3.225 -1.879 0.495 731 2HD2 LEU 73 3HD LEU 73 2.965 -2.124 2.220 732 3HD2 LEU 73 1HD LEU 73 4.585 -1.792 1.612 733 QB LEU 73 QB LEU 73 5.125 -3.539 -0.286 734 QD1 LEU 73 QD1 LEU 73 4.629 -4.489 2.842 735 QD2 LEU 73 QD2 LEU 73 3.591 -1.931 1.442 736 QQD LEU 73 QQD LEU 73 4.110 -3.210 2.142 737 H GLN 74 HN GLN 74 4.930 -7.890 -0.495 738 HA GLN 74 HA GLN 74 3.604 -9.213 -2.041 739 1HB GLN 74 2HB GLN 74 1.601 -8.413 0.100 740 2HB GLN 74 3HB GLN 74 1.777 -9.978 -0.677 741 1HG GLN 74 2HG GLN 74 4.105 -10.107 0.405 742 2HG GLN 74 3HG GLN 74 3.633 -8.700 1.358 743 1HE2 GLN 74 2HE GLN 74 2.077 -10.910 3.675 744 2HE2 GLN 74 1HE GLN 74 3.018 -9.503 3.464 745 QB GLN 74 QB GLN 74 1.690 -9.195 -0.289 746 QG GLN 74 QG GLN 74 3.869 -9.404 0.882 747 QE2 GLN 74 QE2 GLN 74 2.548 -10.207 3.570 748 OH TYR 75 OH TYR 75 6.179 -5.528 -8.639 749 H TYR 75 HN TYR 75 3.524 -7.293 -3.717 750 HA TYR 75 HA TYR 75 0.706 -6.294 -3.837 751 1HB TYR 75 2HB TYR 75 1.471 -4.325 -4.905 752 2HB TYR 75 3HB TYR 75 2.686 -4.644 -3.670 753 HD1 TYR 75 HD1 TYR 75 4.865 -5.700 -4.311 754 HD2 TYR 75 HD2 TYR 75 2.018 -4.492 -7.250 755 HE1 TYR 75 HE1 TYR 75 6.551 -5.982 -6.063 756 HE2 TYR 75 HE2 TYR 75 3.708 -4.772 -8.995 757 HH TYR 75 HH TYR 75 7.045 -5.466 -8.222 758 QB TYR 75 QB TYR 75 2.078 -4.484 -4.288 759 QR TYR 75 QR TYR 75 4.285 -5.237 -6.655 760 H GLU 76 HN GLU 76 -0.162 -5.823 -5.867 761 HA GLU 76 HA GLU 76 0.592 -7.635 -8.109 762 1HB GLU 76 2HB GLU 76 -1.183 -8.781 -6.927 763 2HB GLU 76 3HB GLU 76 -2.077 -7.287 -6.697 764 1HG GLU 76 2HG GLU 76 -2.069 -7.296 -9.387 765 2HG GLU 76 3HG GLU 76 -1.871 -9.021 -9.136 766 QB GLU 76 QB GLU 76 -1.630 -8.034 -6.812 767 QG GLU 76 QG GLU 76 -1.970 -8.158 -9.262 768 H VAL 77 HN VAL 77 0.185 -6.688 -10.128 769 HA VAL 77 HA VAL 77 -0.530 -3.797 -10.076 770 HB VAL 77 HB VAL 77 0.540 -5.384 -12.440 771 1HG1 VAL 77 3HG VAL 77 -0.384 -3.135 -12.920 772 2HG1 VAL 77 1HG VAL 77 0.683 -2.437 -11.704 773 3HG1 VAL 77 2HG VAL 77 1.362 -3.161 -13.158 774 1HG2 VAL 77 2HG VAL 77 2.134 -3.941 -10.285 775 2HG2 VAL 77 3HG VAL 77 2.098 -5.683 -10.537 776 3HG2 VAL 77 1HG VAL 77 2.809 -4.632 -11.757 777 QG1 VAL 77 QG1 VAL 77 0.553 -2.911 -12.594 778 QG2 VAL 77 QG2 VAL 77 2.347 -4.752 -10.859 779 QQG VAL 77 QQG VAL 77 1.450 -3.832 -11.727 780 H LEU 78 HN LEU 78 -2.656 -5.086 -9.540 781 HA LEU 78 HA LEU 78 -4.740 -6.003 -10.221 782 1HB LEU 78 2HB LEU 78 -4.460 -3.410 -11.740 783 2HB LEU 78 3HB LEU 78 -5.977 -4.277 -11.568 784 HG LEU 78 HG LEU 78 -4.293 -3.378 -9.199 785 1HD1 LEU 78 1HD LEU 78 -6.757 -2.091 -10.430 786 2HD1 LEU 78 2HD LEU 78 -5.976 -1.583 -8.938 787 3HD1 LEU 78 3HD LEU 78 -5.125 -1.427 -10.472 788 1HD2 LEU 78 2HD LEU 78 -7.156 -4.379 -9.453 789 2HD2 LEU 78 3HD LEU 78 -5.819 -5.248 -8.713 790 3HD2 LEU 78 1HD LEU 78 -6.428 -3.779 -7.964 791 QB LEU 78 QB LEU 78 -5.218 -3.843 -11.654 792 QD1 LEU 78 QD1 LEU 78 -5.953 -1.700 -9.947 793 QD2 LEU 78 QD2 LEU 78 -6.467 -4.469 -8.710 794 QQD LEU 78 QQD LEU 78 -6.210 -3.085 -9.328 795 H ILE 79 HN ILE 79 -3.884 -7.866 -11.342 796 HA ILE 79 HA ILE 79 -3.420 -7.833 -14.170 797 HB ILE 79 HB ILE 79 -3.712 -10.364 -13.807 798 1HG1 ILE 79 2HG ILE 79 -3.640 -9.643 -10.881 799 2HG1 ILE 79 3HG ILE 79 -5.161 -9.957 -11.704 800 1HG2 ILE 79 2HG ILE 79 -1.518 -9.208 -13.813 801 2HG2 ILE 79 3HG ILE 79 -1.710 -8.858 -12.097 802 3HG2 ILE 79 1HG ILE 79 -1.531 -10.522 -12.644 803 1HD1 ILE 79 2HD ILE 79 -4.312 -12.193 -12.376 804 2HD1 ILE 79 3HD ILE 79 -2.806 -11.869 -11.521 805 3HD1 ILE 79 1HD ILE 79 -4.316 -12.000 -10.627 806 QG1 ILE 79 QG1 ILE 79 -4.400 -9.800 -11.293 807 QG2 ILE 79 QG2 ILE 79 -1.586 -9.529 -12.851 808 QD1 ILE 79 QD1 ILE 79 -3.811 -12.020 -11.508 809 H ASN 80 HN ASN 80 -5.371 -6.546 -14.611 810 HA ASN 80 HA ASN 80 -7.233 -6.657 -16.132 811 1HB ASN 80 2HB ASN 80 -8.039 -9.219 -14.700 812 2HB ASN 80 3HB ASN 80 -8.936 -8.443 -15.988 813 1HD2 ASN 80 2HD ASN 80 -5.932 -10.860 -16.992 814 2HD2 ASN 80 1HD ASN 80 -6.499 -10.727 -15.392 815 QB ASN 80 QB ASN 80 -8.488 -8.831 -15.343 816 QD2 ASN 80 QD2 ASN 80 -6.215 -10.794 -16.192 817 H ASN 81 HN ASN 81 -7.810 -7.800 -12.841 818 HA ASN 81 HA ASN 81 -9.118 -5.351 -12.057 819 1HB ASN 81 2HB ASN 81 -10.949 -6.450 -13.397 820 2HB ASN 81 3HB ASN 81 -10.878 -7.825 -12.305 821 1HD2 ASN 81 ASN 81 -11.817 -4.877 -9.822 822 2HD2 ASN 81 1HD ASN 81 -10.237 -5.301 -10.269 823 QB ASN 81 QB ASN 81 -10.914 -7.138 -12.851 824 QD2 ASN 81 QD2 ASN 81 -11.027 -5.088 -10.045 Start of MODEL 19 Raw file had 824 H/Q atoms Start of MODEL 19 1 1H HIS 1 HN2 HIS 1 15.082 7.306 -18.918 2 2H HIS 1 HN3 HIS 1 13.550 7.339 -19.543 3 3H HIS 1 HN1 HIS 1 13.928 6.269 -18.338 4 HA HIS 1 HA HIS 1 14.461 4.748 -19.810 5 1HB HIS 1 2HB HIS 1 14.297 6.825 -21.980 6 2HB HIS 1 3HB HIS 1 14.032 5.106 -22.115 7 HD1 HIS 1 HD1 HIS 1 12.115 4.779 -19.747 8 HD2 HIS 1 HD2 HIS 1 11.668 7.744 -22.589 9 HE1 HIS 1 HE1 HIS 1 9.693 5.463 -19.711 10 QB HIS 1 QB HIS 1 14.164 5.965 -22.047 11 H HIS 2 HN HIS 2 16.514 4.439 -19.086 12 HA HIS 2 HA HIS 2 18.815 4.094 -19.532 13 1HB HIS 2 2HB HIS 2 18.258 4.585 -21.970 14 2HB HIS 2 3HB HIS 2 18.671 6.248 -21.646 15 HD1 HIS 2 HD1 HIS 2 21.119 6.058 -20.070 16 HD2 HIS 2 HD2 HIS 2 20.526 3.516 -23.257 17 HE1 HIS 2 HE1 HIS 2 23.405 5.344 -20.858 18 QB HIS 2 QB HIS 2 18.464 5.416 -21.807 19 H SER 3 HN SER 3 17.721 7.450 -19.685 20 HA SER 3 HA SER 3 20.002 8.225 -17.904 21 1HB SER 3 2HB SER 3 18.067 10.040 -19.411 22 2HB SER 3 3HB SER 3 19.615 10.498 -18.671 23 HG SER 3 HG SER 3 20.479 9.878 -20.492 24 QB SER 3 QB SER 3 18.841 10.269 -19.041 25 H GLY 4 HN GLY 4 17.806 6.726 -16.987 26 1HA GLY 4 1HA GLY 4 16.849 6.867 -14.750 27 2HA GLY 4 2HA GLY 4 16.660 8.611 -14.976 28 QA GLY 4 QA GLY 4 16.754 7.740 -14.863 29 H GLU 5 HN GLU 5 14.617 6.548 -14.329 30 HA GLU 5 HA GLU 5 12.898 6.707 -16.754 31 1HB GLU 5 2HB GLU 5 12.464 5.125 -14.197 32 2HB GLU 5 3HB GLU 5 11.535 4.985 -15.683 33 1HG GLU 5 2HG GLU 5 14.438 4.204 -15.236 34 2HG GLU 5 3HG GLU 5 13.109 3.173 -15.760 35 QB GLU 5 QB GLU 5 12.000 5.055 -14.939 36 QG GLU 5 QG GLU 5 13.774 3.688 -15.498 37 H HIS 6 HN HIS 6 13.261 9.043 -15.808 38 HA HIS 6 HA HIS 6 11.261 9.776 -13.777 39 1HB HIS 6 2HB HIS 6 12.871 11.609 -15.568 40 2HB HIS 6 3HB HIS 6 12.116 12.012 -14.052 41 HD1 HIS 6 HD1 HIS 6 14.874 12.703 -14.066 42 HD2 HIS 6 HD2 HIS 6 13.845 8.839 -13.100 43 HE1 HIS 6 HE1 HIS 6 16.834 11.731 -12.822 44 QB HIS 6 QB HIS 6 12.493 11.810 -14.810 45 H PHE 7 HN PHE 7 9.950 8.487 -15.636 46 HA PHE 7 HA PHE 7 8.392 10.589 -17.049 47 1HB PHE 7 2HB PHE 7 10.051 9.596 -18.679 48 2HB PHE 7 3HB PHE 7 9.322 8.019 -18.397 49 HD1 PHE 7 1HD PHE 7 8.352 11.514 -19.384 50 HD2 PHE 7 2HD PHE 7 7.512 7.352 -19.740 51 HE1 PHE 7 1HE PHE 7 6.611 12.004 -21.049 52 HE2 PHE 7 2HE PHE 7 5.782 7.845 -21.408 53 HZ PHE 7 HZ PHE 7 5.318 10.170 -22.054 54 QB PHE 7 QB PHE 7 9.686 8.808 -18.538 55 QR PHE 7 QR PHE 7 7.064 9.679 -20.395 56 H GLU 8 HN GLU 8 7.117 10.016 -15.076 57 HA GLU 8 HA GLU 8 5.519 7.519 -15.519 58 1HB GLU 8 2HB GLU 8 6.999 8.302 -13.221 59 2HB GLU 8 3HB GLU 8 5.312 8.529 -12.797 60 1HG GLU 8 2HG GLU 8 6.439 5.970 -13.993 61 2HG GLU 8 3HG GLU 8 6.152 6.219 -12.276 62 QB GLU 8 QB GLU 8 6.155 8.415 -13.009 63 QG GLU 8 QG GLU 8 6.295 6.093 -13.135 64 H GLY 9 HN GLY 9 3.313 7.620 -14.808 65 1HA GLY 9 1HA GLY 9 2.109 10.365 -14.810 66 2HA GLY 9 2HA GLY 9 1.435 9.063 -15.795 67 QA GLY 9 QA GLY 9 1.772 9.714 -15.303 68 H GLU 10 HN GLU 10 -0.308 8.148 -14.861 69 HA GLU 10 HA GLU 10 -0.313 7.725 -11.900 70 1HB GLU 10 2HB GLU 10 -1.799 9.623 -12.312 71 2HB GLU 10 3HB GLU 10 -2.588 8.777 -13.634 72 1HG GLU 10 2HG GLU 10 -3.728 7.302 -12.186 73 2HG GLU 10 3HG GLU 10 -2.609 7.579 -10.860 74 QB GLU 10 QB GLU 10 -2.193 9.200 -12.973 75 QG GLU 10 QG GLU 10 -3.168 7.440 -11.523 76 H LYS 11 HN LYS 11 -1.586 5.872 -11.242 77 HA LYS 11 HA LYS 11 -2.848 4.120 -13.140 78 1HB LYS 11 2HB LYS 11 -1.267 2.267 -13.185 79 2HB LYS 11 3HB LYS 11 -0.486 3.702 -13.818 80 1HG LYS 11 2HG LYS 11 0.692 4.050 -11.694 81 2HG LYS 11 3HG LYS 11 -0.191 2.716 -10.954 82 1HD LYS 11 2HD LYS 11 1.809 1.651 -11.574 83 2HD LYS 11 3HD LYS 11 0.781 1.293 -12.946 84 1HE LYS 11 2HE LYS 11 2.577 2.099 -14.123 85 2HE LYS 11 3HE LYS 11 1.801 3.643 -13.810 86 1HZ LYS 11 3HZ LYS 11 3.491 2.905 -11.621 87 2HZ LYS 11 1HZ LYS 11 4.358 2.900 -13.072 88 3HZ LYS 11 2HZ LYS 11 3.512 4.289 -12.602 89 QB LYS 11 QB LYS 11 -0.877 2.985 -13.501 90 QG LYS 11 QG LYS 11 0.251 3.383 -11.324 91 QD LYS 11 QD LYS 11 1.295 1.473 -12.261 92 QE LYS 11 QE LYS 11 2.188 2.871 -13.966 93 QZ LYS 11 QZ LYS 11 3.787 3.365 -12.431 94 H VAL 12 HN VAL 12 -3.244 1.859 -12.006 95 HA VAL 12 HA VAL 12 -3.720 2.467 -9.108 96 HB VAL 12 HB VAL 12 -5.297 0.549 -10.841 97 1HG1 VAL 12 1HG VAL 12 -5.805 1.766 -8.095 98 2HG1 VAL 12 2HG VAL 12 -6.973 0.777 -8.963 99 3HG1 VAL 12 3HG VAL 12 -5.448 0.076 -8.428 100 1HG2 VAL 12 3HG VAL 12 -5.558 2.874 -11.678 101 2HG2 VAL 12 1HG VAL 12 -7.045 2.293 -10.939 102 3HG2 VAL 12 2HG VAL 12 -6.001 3.402 -10.061 103 QG1 VAL 12 QG1 VAL 12 -6.075 0.873 -8.496 104 QG2 VAL 12 QG2 VAL 12 -6.201 2.857 -10.893 105 QQG VAL 12 QQG VAL 12 -6.138 1.865 -9.693 106 H PHE 13 HN PHE 13 -3.117 1.096 -7.626 107 HA PHE 13 HA PHE 13 -1.771 -1.448 -8.433 108 1HB PHE 13 2HB PHE 13 -1.131 0.354 -6.058 109 2HB PHE 13 3HB PHE 13 -0.317 -1.152 -6.445 110 HD1 PHE 13 1HD PHE 13 -0.925 2.300 -7.750 111 HD2 PHE 13 2HD PHE 13 1.536 -1.177 -7.927 112 HE1 PHE 13 1HE PHE 13 0.769 3.564 -8.997 113 HE2 PHE 13 2HE PHE 13 3.245 0.109 -9.147 114 HZ PHE 13 HZ PHE 13 2.873 2.477 -9.651 115 QB PHE 13 QB PHE 13 -0.724 -0.400 -6.251 116 QR PHE 13 QR PHE 13 1.156 1.198 -8.456 117 NH1 ARG 14 NH1 ARG 14 -5.409 -7.300 -5.102 118 NH2 ARG 14 NH2 ARG 14 -7.658 -7.638 -5.437 119 H ARG 14 HN ARG 14 -1.758 -2.948 -6.477 120 HA ARG 14 HA ARG 14 -4.106 -2.548 -4.726 121 1HB ARG 14 2HB ARG 14 -3.592 -4.792 -6.669 122 2HB ARG 14 3HB ARG 14 -4.459 -5.098 -5.181 123 1HG ARG 14 2HG ARG 14 -5.603 -2.739 -6.288 124 2HG ARG 14 3HG ARG 14 -5.420 -3.873 -7.616 125 1HD ARG 14 2HD ARG 14 -6.704 -4.590 -4.950 126 2HD ARG 14 3HD ARG 14 -7.611 -4.137 -6.390 127 HE ARG 14 HE ARG 14 -6.527 -6.150 -7.519 128 1HH1 ARG 14 2HH ARG 14 -4.554 -6.836 -5.380 129 2HH1 ARG 14 1HH ARG 14 -5.364 -7.999 -4.383 130 1HH2 ARG 14 2HH ARG 14 -8.514 -7.355 -5.895 131 2HH2 ARG 14 1HH ARG 14 -7.676 -8.399 -4.796 132 QB ARG 14 QB ARG 14 -4.026 -4.946 -5.925 133 QG ARG 14 QG ARG 14 -5.511 -3.306 -6.952 134 QD ARG 14 QD ARG 14 -7.157 -4.363 -5.670 135 QH1 ARG 14 QH1 ARG 14 -4.959 -7.418 -4.881 136 QH2 ARG 14 QH2 ARG 14 -8.095 -7.877 -5.346 137 H VAL 15 HN VAL 15 -3.999 -4.374 -2.961 138 HA VAL 15 HA VAL 15 -1.186 -5.187 -2.459 139 HB VAL 15 HB VAL 15 -2.895 -3.592 -0.505 140 1HG1 VAL 15 1HG VAL 15 -0.050 -4.638 -0.288 141 2HG1 VAL 15 2HG VAL 15 -0.820 -3.571 0.878 142 3HG1 VAL 15 3HG VAL 15 -1.435 -5.198 0.638 143 1HG2 VAL 15 3HG VAL 15 -0.427 -2.822 -2.094 144 2HG2 VAL 15 1HG VAL 15 -2.046 -2.156 -2.293 145 3HG2 VAL 15 2HG VAL 15 -1.138 -1.836 -0.818 146 QG1 VAL 15 QG1 VAL 15 -0.769 -4.469 0.410 147 QG2 VAL 15 QG2 VAL 15 -1.203 -2.272 -1.735 148 QQG VAL 15 QQG VAL 15 -0.987 -3.370 -0.663 149 H ASN 16 HN ASN 16 -1.005 -6.986 -1.052 150 HA ASN 16 HA ASN 16 -3.626 -8.203 -0.232 151 1HB ASN 16 2HB ASN 16 -1.742 -9.293 -2.049 152 2HB ASN 16 3HB ASN 16 -1.490 -10.170 -0.540 153 1HD2 ASN 16 2HD ASN 16 -4.534 -11.940 -0.808 154 2HD2 ASN 16 1HD ASN 16 -3.110 -11.685 0.077 155 QB ASN 16 QB ASN 16 -1.616 -9.731 -1.294 156 QD2 ASN 16 QD2 ASN 16 -3.822 -11.813 -0.366 157 H VAL 17 HN VAL 17 -3.690 -7.911 1.902 158 HA VAL 17 HA VAL 17 -1.249 -7.513 3.426 159 HB VAL 17 HB VAL 17 -4.126 -7.778 4.359 160 1HG1 VAL 17 3HG VAL 17 -1.637 -6.598 5.632 161 2HG1 VAL 17 1HG VAL 17 -3.254 -6.529 6.324 162 3HG1 VAL 17 2HG VAL 17 -2.437 -8.073 6.151 163 1HG2 VAL 17 3HG VAL 17 -3.672 -5.949 2.660 164 2HG2 VAL 17 1HG VAL 17 -4.133 -5.330 4.231 165 3HG2 VAL 17 2HG VAL 17 -2.441 -5.306 3.740 166 QG1 VAL 17 QG1 VAL 17 -2.443 -7.067 6.035 167 QG2 VAL 17 QG2 VAL 17 -3.415 -5.529 3.544 168 QQG VAL 17 QQG VAL 17 -2.929 -6.298 4.790 169 H GLU 18 HN GLU 18 -0.286 -9.466 2.874 170 HA GLU 18 HA GLU 18 -1.290 -12.008 3.749 171 1HB GLU 18 2HB GLU 18 1.586 -11.115 3.281 172 2HB GLU 18 3HB GLU 18 1.011 -12.771 3.304 173 1HG GLU 18 2HG GLU 18 0.274 -10.636 1.273 174 2HG GLU 18 3HG GLU 18 1.240 -12.073 0.982 175 QB GLU 18 QB GLU 18 1.299 -11.943 3.293 176 QG GLU 18 QG GLU 18 0.757 -11.355 1.127 177 H ASP 19 HN ASP 19 0.931 -9.630 5.113 178 HA ASP 19 HA ASP 19 0.556 -10.890 7.789 179 1HB ASP 19 2HB ASP 19 2.927 -10.821 8.217 180 2HB ASP 19 3HB ASP 19 2.729 -11.581 6.654 181 QB ASP 19 QB ASP 19 2.828 -11.201 7.436 182 H GLU 20 HN GLU 20 2.254 -9.365 9.192 183 HA GLU 20 HA GLU 20 0.775 -6.859 9.438 184 1HB GLU 20 2HB GLU 20 2.790 -8.357 11.050 185 2HB GLU 20 3HB GLU 20 2.784 -6.616 11.248 186 1HG GLU 20 2HG GLU 20 1.231 -7.283 12.874 187 2HG GLU 20 3HG GLU 20 0.185 -6.900 11.521 188 QB GLU 20 QB GLU 20 2.787 -7.486 11.149 189 QG GLU 20 QG GLU 20 0.708 -7.092 12.197 190 H ASN 21 HN ASN 21 4.010 -7.811 8.343 191 HA ASN 21 HA ASN 21 5.300 -5.301 8.347 192 1HB ASN 21 2HB ASN 21 6.317 -7.489 7.538 193 2HB ASN 21 3HB ASN 21 5.444 -7.265 6.026 194 1HD2 ASN 21 2HD ASN 21 7.906 -5.074 4.771 195 2HD2 ASN 21 1HD ASN 21 6.652 -6.181 4.447 196 QB ASN 21 QB ASN 21 5.881 -7.377 6.782 197 QD2 ASN 21 QD2 ASN 21 7.280 -5.628 4.609 198 H ASP 22 HN ASP 22 3.129 -6.684 5.926 199 HA ASP 22 HA ASP 22 3.085 -4.496 4.136 200 1HB ASP 22 2HB ASP 22 2.089 -6.847 3.861 201 2HB ASP 22 3HB ASP 22 0.705 -6.282 4.780 202 QB ASP 22 QB ASP 22 1.396 -6.564 4.320 203 H ILE 23 HN ILE 23 0.859 -5.152 6.817 204 HA ILE 23 HA ILE 23 -0.759 -2.814 6.486 205 HB ILE 23 HB ILE 23 -0.078 -4.235 9.091 206 1HG1 ILE 23 2HG ILE 23 -2.287 -4.841 7.089 207 2HG1 ILE 23 3HG ILE 23 -0.799 -5.763 7.220 208 1HG2 ILE 23 1HG ILE 23 -1.320 -2.094 9.326 209 2HG2 ILE 23 2HG ILE 23 -2.531 -2.671 8.188 210 3HG2 ILE 23 3HG ILE 23 -2.343 -3.457 9.750 211 1HD1 ILE 23 2HD ILE 23 -1.328 -6.325 9.563 212 2HD1 ILE 23 3HD ILE 23 -2.839 -5.424 9.443 213 3HD1 ILE 23 1HD ILE 23 -2.588 -6.869 8.471 214 QG1 ILE 23 QG1 ILE 23 -1.542 -5.301 7.155 215 QG2 ILE 23 QG2 ILE 23 -2.065 -2.740 9.088 216 QD1 ILE 23 QD1 ILE 23 -2.252 -6.206 9.160 217 H SER 24 HN SER 24 2.046 -3.428 8.500 218 HA SER 24 HA SER 24 2.261 -0.809 9.632 219 1HB SER 24 2HB SER 24 4.499 -2.835 9.141 220 2HB SER 24 3HB SER 24 4.453 -1.571 10.391 221 HG SER 24 HG SER 24 3.031 -3.981 10.215 222 QB SER 24 QB SER 24 4.475 -2.203 9.766 223 H GLU 25 HN GLU 25 4.450 -2.273 7.201 224 HA GLU 25 HA GLU 25 5.780 -0.062 6.242 225 1HB GLU 25 2HB GLU 25 4.614 -2.445 4.778 226 2HB GLU 25 3HB GLU 25 5.461 -1.206 3.878 227 1HG GLU 25 2HG GLU 25 7.271 -1.608 5.868 228 2HG GLU 25 3HG GLU 25 6.521 -3.195 5.855 229 QB GLU 25 QB GLU 25 5.038 -1.825 4.328 230 QG GLU 25 QG GLU 25 6.896 -2.402 5.861 231 H LEU 26 HN LEU 26 2.483 -1.018 5.305 232 HA LEU 26 HA LEU 26 2.036 1.051 3.441 233 1HB LEU 26 2HB LEU 26 0.592 -0.893 3.567 234 2HB LEU 26 3HB LEU 26 0.220 -0.574 5.256 235 HG LEU 26 HG LEU 26 -0.844 1.512 4.633 236 1HD1 LEU 26 2HD LEU 26 -0.235 0.635 1.791 237 2HD1 LEU 26 3HD LEU 26 -1.319 1.957 2.201 238 3HD1 LEU 26 1HD LEU 26 0.388 2.074 2.593 239 1HD2 LEU 26 1HD LEU 26 -2.194 -0.568 4.757 240 2HD2 LEU 26 2HD LEU 26 -2.842 0.510 3.526 241 3HD2 LEU 26 3HD LEU 26 -1.866 -0.877 3.059 242 QB LEU 26 QB LEU 26 0.406 -0.734 4.412 243 QD1 LEU 26 QD1 LEU 26 -0.389 1.555 2.195 244 QD2 LEU 26 QD2 LEU 26 -2.301 -0.311 3.780 245 QQD LEU 26 QQD LEU 26 -1.345 0.622 2.988 246 H HIS 27 HN HIS 27 1.302 0.776 6.926 247 HA HIS 27 HA HIS 27 0.223 3.368 7.343 248 1HB HIS 27 2HB HIS 27 1.697 1.427 9.063 249 2HB HIS 27 3HB HIS 27 1.576 3.060 9.647 250 HD1 HIS 27 HD1 HIS 27 -0.877 3.954 9.839 251 HD2 HIS 27 HD2 HIS 27 -0.661 -0.108 9.420 252 HE1 HIS 27 HE1 HIS 27 -3.121 3.056 10.561 253 QB HIS 27 QB HIS 27 1.636 2.244 9.355 254 H GLU 28 HN GLU 28 3.669 2.378 7.728 255 HA GLU 28 HA GLU 28 4.831 4.751 8.192 256 1HB GLU 28 2HB GLU 28 5.738 2.505 6.357 257 2HB GLU 28 3HB GLU 28 6.698 3.554 7.301 258 1HG GLU 28 2HG GLU 28 5.073 1.291 8.289 259 2HG GLU 28 3HG GLU 28 6.751 1.645 8.609 260 QB GLU 28 QB GLU 28 6.218 3.030 6.829 261 QG GLU 28 QG GLU 28 5.912 1.467 8.449 262 H LEU 29 HN LEU 29 3.854 3.351 5.095 263 HA LEU 29 HA LEU 29 4.915 5.583 3.539 264 1HB LEU 29 2HB LEU 29 4.799 3.280 2.627 265 2HB LEU 29 3HB LEU 29 3.048 3.320 2.749 266 HG LEU 29 HG LEU 29 3.061 5.305 1.171 267 1HD1 LEU 29 3HD LEU 29 5.984 4.516 0.864 268 2HD1 LEU 29 1HD LEU 29 5.127 5.645 -0.180 269 3HD1 LEU 29 2HD LEU 29 5.396 6.045 1.511 270 1HD2 LEU 29 3HD LEU 29 4.311 2.737 0.155 271 2HD2 LEU 29 1HD LEU 29 2.588 3.026 0.369 272 3HD2 LEU 29 2HD LEU 29 3.489 3.935 -0.840 273 QB LEU 29 QB LEU 29 3.923 3.300 2.687 274 QD1 LEU 29 QD1 LEU 29 5.502 5.402 0.731 275 QD2 LEU 29 QD2 LEU 29 3.463 3.233 -0.105 276 QQD LEU 29 QQD LEU 29 4.482 4.318 0.314 277 H ALA 30 HN ALA 30 1.926 4.990 5.178 278 HA ALA 30 HA ALA 30 0.348 6.767 3.427 279 1HB ALA 30 3HB ALA 30 -0.729 4.925 4.713 280 2HB ALA 30 1HB ALA 30 -0.266 5.718 6.217 281 3HB ALA 30 2HB ALA 30 -1.419 6.492 5.136 282 QB ALA 30 QB ALA 30 -0.804 5.712 5.355 283 H SER 31 HN SER 31 2.650 7.992 4.202 284 HA SER 31 HA SER 31 1.620 10.356 5.641 285 1HB SER 31 2HB SER 31 3.698 10.385 7.080 286 2HB SER 31 3HB SER 31 2.725 8.930 7.383 287 HG SER 31 HG SER 31 4.292 7.758 6.544 288 QB SER 31 QB SER 31 3.212 9.657 7.231 289 H THR 32 HN THR 32 4.643 8.995 4.426 290 HA THR 32 HA THR 32 5.690 11.414 3.353 291 HB THR 32 HB THR 32 7.333 9.976 2.195 292 HG1 THR 32 1HG THR 32 6.116 7.617 2.862 293 1HG2 THR 32 1HG THR 32 7.476 9.938 4.736 294 2HG2 THR 32 2HG THR 32 6.434 8.523 4.738 295 3HG2 THR 32 3HG THR 32 8.030 8.440 3.998 296 QG2 THR 32 QG2 THR 32 7.314 8.967 4.490 297 NH1 ARG 33 NH2 ARG 33 5.003 11.530 -3.257 298 NH2 ARG 33 NH1 ARG 33 7.183 10.837 -3.420 299 H ARG 33 HN ARG 33 3.957 8.744 1.800 300 HA ARG 33 HA ARG 33 3.789 10.356 -0.703 301 1HB ARG 33 2HB ARG 33 4.085 7.636 -0.262 302 2HB ARG 33 3HB ARG 33 2.378 7.754 -0.645 303 1HG ARG 33 2HG ARG 33 3.367 7.516 -2.770 304 2HG ARG 33 3HG ARG 33 3.185 9.257 -2.639 305 1HD ARG 33 2HD ARG 33 5.613 9.042 -1.483 306 2HD ARG 33 3HD ARG 33 5.667 7.587 -2.478 307 HE ARG 33 HE ARG 33 5.392 9.009 -4.480 308 1HH1 ARG 33 2HH ARG 33 4.017 11.291 -3.298 309 2HH1 ARG 33 1HH ARG 33 5.278 12.477 -3.109 310 1HH2 ARG 33 2HH ARG 33 7.833 10.078 -3.592 311 2HH2 ARG 33 1HH ARG 33 7.538 11.758 -3.287 312 QB ARG 33 QB ARG 33 3.232 7.695 -0.453 313 QG ARG 33 QG ARG 33 3.275 8.387 -2.704 314 QD ARG 33 QD ARG 33 5.640 8.314 -1.979 315 QH1 ARG 33 QH2 ARG 33 4.648 11.884 -3.204 316 QH2 ARG 33 QH1 ARG 33 7.685 10.918 -3.439 317 H GLN 34 HN GLN 34 1.608 10.345 -1.841 318 HA GLN 34 HA GLN 34 -0.565 10.869 0.173 319 1HB GLN 34 2HB GLN 34 -0.287 12.133 -2.575 320 2HB GLN 34 3HB GLN 34 -1.382 12.610 -1.297 321 1HG GLN 34 2HG GLN 34 0.230 13.767 -0.130 322 2HG GLN 34 3HG GLN 34 1.516 12.660 -0.579 323 1HE2 GLN 34 2HE GLN 34 1.536 14.412 -3.951 324 2HE2 GLN 34 1HE GLN 34 1.017 12.860 -3.510 325 QB GLN 34 QB GLN 34 -0.834 12.372 -1.936 326 QG GLN 34 QG GLN 34 0.872 13.214 -0.354 327 QE2 GLN 34 QE2 GLN 34 1.277 13.636 -3.730 328 H ILE 35 HN ILE 35 -0.206 8.316 -0.765 329 HA ILE 35 HA ILE 35 -1.759 7.767 -3.142 330 HB ILE 35 HB ILE 35 -1.636 5.393 -2.358 331 1HG1 ILE 35 2HG ILE 35 -0.186 6.585 0.041 332 2HG1 ILE 35 3HG ILE 35 -1.780 5.849 0.089 333 1HG2 ILE 35 2HG ILE 35 0.187 6.457 -3.644 334 2HG2 ILE 35 3HG ILE 35 0.972 6.944 -2.152 335 3HG2 ILE 35 1HG ILE 35 0.813 5.235 -2.557 336 1HD1 ILE 35 3HD ILE 35 -0.806 3.705 -0.724 337 2HD1 ILE 35 1HD ILE 35 0.797 4.438 -0.697 338 3HD1 ILE 35 2HD ILE 35 -0.093 4.220 0.802 339 QG1 ILE 35 QG1 ILE 35 -0.983 6.218 0.064 340 QG2 ILE 35 QG2 ILE 35 0.657 6.212 -2.784 341 QD1 ILE 35 QD1 ILE 35 -0.034 4.121 -0.206 342 H ASP 36 HN ASP 36 -3.928 7.455 -3.354 343 HA ASP 36 HA ASP 36 -5.545 7.691 -0.852 344 1HB ASP 36 2HB ASP 36 -7.431 8.134 -2.574 345 2HB ASP 36 3HB ASP 36 -6.222 9.395 -2.371 346 QB ASP 36 QB ASP 36 -6.827 8.764 -2.473 347 H PHE 37 HN PHE 37 -7.441 6.215 -0.711 348 HA PHE 37 HA PHE 37 -6.697 3.589 -1.933 349 1HB PHE 37 2HB PHE 37 -8.213 4.164 0.634 350 2HB PHE 37 3HB PHE 37 -7.871 2.559 -0.004 351 HD1 PHE 37 1HD PHE 37 -6.103 5.734 0.969 352 HD2 PHE 37 2HD PHE 37 -5.845 1.501 0.574 353 HE1 PHE 37 1HE PHE 37 -3.855 5.787 1.932 354 HE2 PHE 37 2HE PHE 37 -3.614 1.546 1.613 355 HZ PHE 37 HZ PHE 37 -2.616 3.693 2.293 356 QB PHE 37 QB PHE 37 -8.042 3.361 0.315 357 QR PHE 37 QR PHE 37 -4.855 3.642 1.272 358 CH2 TRP 38 CH2 TRP 38 -12.045 2.217 -9.645 359 H TRP 38 HN TRP 38 -8.315 2.148 -2.541 360 HA TRP 38 HA TRP 38 -10.870 3.510 -3.336 361 1HB TRP 38 2HB TRP 38 -9.324 2.788 -5.177 362 2HB TRP 38 3HB TRP 38 -9.522 1.149 -4.655 363 HD1 TRP 38 HD1 TRP 38 -12.856 1.605 -4.210 364 HE1 TRP 38 HE1 TRP 38 -14.297 1.598 -6.241 365 HE3 TRP 38 HE3 TRP 38 -9.306 2.416 -7.635 366 HZ2 TRP 38 HZ2 TRP 38 -14.055 1.891 -8.989 367 HZ3 TRP 38 HZ3 TRP 38 -9.967 2.528 -10.025 368 HH2 TRP 38 HH2 TRP 38 -12.315 2.277 -10.689 369 QB TRP 38 QB TRP 38 -9.423 1.969 -4.916 370 H LYS 39 HN LYS 39 -9.641 0.168 -2.785 371 HA LYS 39 HA LYS 39 -12.034 -0.196 -0.998 372 1HB LYS 39 2HB LYS 39 -10.682 -2.475 -2.432 373 2HB LYS 39 3HB LYS 39 -12.292 -2.434 -1.741 374 1HG LYS 39 2HG LYS 39 -12.905 -0.705 -3.497 375 2HG LYS 39 3HG LYS 39 -11.347 -1.001 -4.247 376 1HD LYS 39 2HD LYS 39 -13.663 -2.931 -3.924 377 2HD LYS 39 3HD LYS 39 -12.895 -2.409 -5.414 378 1HE LYS 39 2HE LYS 39 -11.799 -4.313 -3.329 379 2HE LYS 39 3HE LYS 39 -12.079 -4.618 -5.036 380 1HZ LYS 39 2HZ LYS 39 -10.284 -2.455 -4.774 381 2HZ LYS 39 3HZ LYS 39 -9.729 -3.752 -3.837 382 3HZ LYS 39 1HZ LYS 39 -10.061 -3.976 -5.491 383 QB LYS 39 QB LYS 39 -11.488 -2.454 -2.087 384 QG LYS 39 QG LYS 39 -12.125 -0.853 -3.872 385 QD LYS 39 QD LYS 39 -13.279 -2.670 -4.670 386 QE LYS 39 QE LYS 39 -11.939 -4.466 -4.182 387 QZ LYS 39 QZ LYS 39 -10.025 -3.394 -4.701 388 HA PRO 40 HA PRO 40 -12.691 -0.571 0.700 389 1HB PRO 40 2HB PRO 40 -13.020 -1.762 3.105 390 2HB PRO 40 3HB PRO 40 -13.212 -2.660 1.598 391 1HG PRO 40 2HG PRO 40 -10.896 -2.694 3.512 392 2HG PRO 40 3HG PRO 40 -11.582 -4.029 2.580 393 1HD PRO 40 2HD PRO 40 -9.293 -2.574 1.837 394 2HD PRO 40 3HD PRO 40 -10.257 -3.581 0.745 395 QB PRO 40 QB PRO 40 -13.116 -2.212 2.352 396 QG PRO 40 QG PRO 40 -11.239 -3.362 3.046 397 QD PRO 40 QD PRO 40 -9.774 -3.078 1.292 398 H ASP 41 HN ASP 41 -10.046 -0.932 2.866 399 HA ASP 41 HA ASP 41 -10.736 1.022 4.733 400 1HB ASP 41 2HB ASP 41 -8.786 -1.202 4.196 401 2HB ASP 41 3HB ASP 41 -8.133 0.062 5.196 402 QB ASP 41 QB ASP 41 -8.460 -0.571 4.697 403 H SER 42 HN SER 42 -8.386 1.562 5.048 404 HA SER 42 HA SER 42 -6.945 3.113 3.057 405 1HB SER 42 2HB SER 42 -8.531 4.647 5.188 406 2HB SER 42 3HB SER 42 -7.365 5.364 4.065 407 HG SER 42 HG SER 42 -9.275 3.760 2.884 408 QB SER 42 QB SER 42 -7.949 5.006 4.627 409 H VAL 43 HN VAL 43 -5.882 1.241 4.478 410 HA VAL 43 HA VAL 43 -4.499 0.603 6.282 411 HB VAL 43 HB VAL 43 -3.105 2.163 4.851 412 1HG1 VAL 43 2HG VAL 43 -3.736 4.164 7.044 413 2HG1 VAL 43 3HG VAL 43 -2.455 4.334 5.857 414 3HG1 VAL 43 1HG VAL 43 -4.121 4.324 5.333 415 1HG2 VAL 43 1HG VAL 43 -2.121 0.795 6.634 416 2HG2 VAL 43 2HG VAL 43 -1.305 2.350 6.516 417 3HG2 VAL 43 3HG VAL 43 -2.468 2.060 7.801 418 QG1 VAL 43 QG1 VAL 43 -3.437 4.274 6.079 419 QG2 VAL 43 QG2 VAL 43 -1.965 1.735 6.984 420 QQG VAL 43 QQG VAL 43 -2.701 3.005 6.531 421 H THR 44 HN THR 44 -7.034 1.408 6.937 422 HA THR 44 HA THR 44 -6.785 2.947 9.459 423 HB THR 44 HB THR 44 -9.462 2.686 9.080 424 HG1 THR 44 1HG THR 44 -9.687 1.627 7.210 425 1HG2 THR 44 2HG THR 44 -7.722 4.424 7.283 426 2HG2 THR 44 3HG THR 44 -9.403 4.730 7.692 427 3HG2 THR 44 1HG THR 44 -8.151 4.860 8.926 428 QG2 THR 44 QG2 THR 44 -8.426 4.671 7.967 429 H GLN 45 HN GLN 45 -8.801 0.183 8.391 430 HA GLN 45 HA GLN 45 -8.182 -1.094 11.042 431 1HB GLN 45 2HB GLN 45 -10.818 -1.204 9.522 432 2HB GLN 45 3HB GLN 45 -10.463 -2.072 11.002 433 1HG GLN 45 2HG GLN 45 -11.518 -0.211 11.895 434 2HG GLN 45 3HG GLN 45 -9.850 0.338 11.930 435 1HE2 GLN 45 2HE GLN 45 -11.400 1.917 8.582 436 2HE2 GLN 45 1HE GLN 45 -10.920 0.294 8.664 437 QB GLN 45 QB GLN 45 -10.641 -1.638 10.261 438 QG GLN 45 QG GLN 45 -10.684 0.064 11.912 439 QE2 GLN 45 QE2 GLN 45 -11.160 1.105 8.623 440 H ILE 46 HN ILE 46 -6.505 -1.669 9.131 441 HA ILE 46 HA ILE 46 -7.499 -3.987 7.581 442 HB ILE 46 HB ILE 46 -4.718 -2.757 7.649 443 1HG1 ILE 46 2HG ILE 46 -7.080 -2.246 5.796 444 2HG1 ILE 46 3HG ILE 46 -6.380 -1.093 6.921 445 1HG2 ILE 46 1HG ILE 46 -4.882 -5.100 6.776 446 2HG2 ILE 46 2HG ILE 46 -6.073 -4.558 5.597 447 3HG2 ILE 46 3HG ILE 46 -4.420 -3.948 5.536 448 1HD1 ILE 46 1HD ILE 46 -4.211 -1.225 5.686 449 2HD1 ILE 46 2HD ILE 46 -4.951 -2.314 4.527 450 3HD1 ILE 46 3HD ILE 46 -5.524 -0.662 4.657 451 QG1 ILE 46 QG1 ILE 46 -6.730 -1.669 6.358 452 QG2 ILE 46 QG2 ILE 46 -5.125 -4.535 5.969 453 QD1 ILE 46 QD1 ILE 46 -4.895 -1.400 4.956 454 H LYS 47 HN LYS 47 -6.903 -6.023 7.916 455 HA LYS 47 HA LYS 47 -5.201 -6.648 10.305 456 1HB LYS 47 2HB LYS 47 -6.631 -8.753 10.457 457 2HB LYS 47 3HB LYS 47 -7.512 -7.266 10.794 458 1HG LYS 47 2HG LYS 47 -8.699 -7.354 8.787 459 2HG LYS 47 3HG LYS 47 -7.427 -8.222 7.948 460 1HD LYS 47 2HD LYS 47 -9.187 -9.808 8.225 461 2HD LYS 47 3HD LYS 47 -7.968 -10.234 9.412 462 1HE LYS 47 2HE LYS 47 -10.135 -10.309 10.499 463 2HE LYS 47 3HE LYS 47 -9.250 -8.931 11.138 464 1HZ LYS 47 3HZ LYS 47 -10.685 -8.111 8.859 465 2HZ LYS 47 1HZ LYS 47 -11.759 -8.933 9.898 466 3HZ LYS 47 2HZ LYS 47 -10.867 -7.593 10.459 467 QB LYS 47 QB LYS 47 -7.072 -8.009 10.626 468 QG LYS 47 QG LYS 47 -8.063 -7.788 8.367 469 QD LYS 47 QD LYS 47 -8.578 -10.020 8.819 470 QE LYS 47 QE LYS 47 -9.693 -9.620 10.818 471 QZ LYS 47 QZ LYS 47 -11.103 -8.212 9.739 472 HA PRO 48 HA PRO 48 -3.010 -9.471 7.507 473 1HB PRO 48 2HB PRO 48 -2.982 -11.719 9.194 474 2HB PRO 48 3HB PRO 48 -1.732 -10.470 9.120 475 1HG PRO 48 2HG PRO 48 -3.942 -10.818 11.119 476 2HG PRO 48 3HG PRO 48 -2.320 -10.153 11.356 477 1HD PRO 48 2HD PRO 48 -4.585 -8.589 11.172 478 2HD PRO 48 3HD PRO 48 -2.975 -8.009 10.698 479 QB PRO 48 QB PRO 48 -2.357 -11.094 9.157 480 QG PRO 48 QG PRO 48 -3.131 -10.485 11.238 481 QD PRO 48 QD PRO 48 -3.779 -8.299 10.934 482 H HIS 49 HN HIS 49 -3.755 -10.868 6.027 483 HA HIS 49 HA HIS 49 -5.165 -12.332 4.882 484 1HB HIS 49 2HB HIS 49 -6.778 -12.602 7.426 485 2HB HIS 49 3HB HIS 49 -6.771 -13.678 6.058 486 HD1 HIS 49 HD1 HIS 49 -6.181 -15.203 8.293 487 HD2 HIS 49 HD2 HIS 49 -3.080 -13.011 6.721 488 HE1 HIS 49 HE1 HIS 49 -4.062 -16.260 9.145 489 QB HIS 49 QB HIS 49 -6.774 -13.140 6.742 490 H SER 50 HN SER 50 -5.456 -9.839 4.290 491 HA SER 50 HA SER 50 -8.313 -9.596 3.717 492 1HB SER 50 2HB SER 50 -8.625 -7.352 4.715 493 2HB SER 50 3HB SER 50 -8.175 -8.514 5.969 494 HG SER 50 HG SER 50 -6.025 -7.802 5.812 495 QB SER 50 QB SER 50 -8.399 -7.933 5.342 496 H THR 51 HN THR 51 -8.718 -7.754 2.181 497 HA THR 51 HA THR 51 -6.221 -7.178 0.607 498 HB THR 51 HB THR 51 -8.921 -7.213 -0.754 499 HG1 THR 51 1HG THR 51 -9.121 -9.293 -0.391 500 1HG2 THR 51 2HG THR 51 -6.199 -8.382 -1.515 501 2HG2 THR 51 3HG THR 51 -7.606 -8.261 -2.565 502 3HG2 THR 51 1HG THR 51 -6.763 -6.802 -2.049 503 QG2 THR 51 QG2 THR 51 -6.856 -7.815 -2.043 504 H VAL 52 HN VAL 52 -5.901 -5.121 -0.098 505 HA VAL 52 HA VAL 52 -8.036 -3.123 0.000 506 HB VAL 52 HB VAL 52 -6.870 -1.635 1.421 507 1HG1 VAL 52 3HG VAL 52 -7.907 -3.554 2.663 508 2HG1 VAL 52 1HG VAL 52 -6.344 -4.345 2.663 509 3HG1 VAL 52 2HG VAL 52 -6.567 -2.831 3.525 510 1HG2 VAL 52 3HG VAL 52 -4.608 -1.908 0.487 511 2HG2 VAL 52 1HG VAL 52 -4.573 -1.963 2.246 512 3HG2 VAL 52 2HG VAL 52 -4.456 -3.456 1.313 513 QG1 VAL 52 QG1 VAL 52 -6.940 -3.577 2.950 514 QG2 VAL 52 QG2 VAL 52 -4.545 -2.442 1.349 515 QQG VAL 52 QQG VAL 52 -5.743 -3.010 2.150 516 H ASP 53 HN ASP 53 -7.331 -1.172 -1.279 517 HA ASP 53 HA ASP 53 -4.893 -1.569 -2.919 518 1HB ASP 53 2HB ASP 53 -6.523 -0.887 -4.942 519 2HB ASP 53 3HB ASP 53 -6.276 -2.557 -4.466 520 QB ASP 53 QB ASP 53 -6.400 -1.722 -4.703 521 H PHE 54 HN PHE 54 -4.363 0.366 -4.260 522 HA PHE 54 HA PHE 54 -5.632 2.876 -3.361 523 1HB PHE 54 2HB PHE 54 -3.505 3.863 -2.588 524 2HB PHE 54 3HB PHE 54 -3.881 2.421 -1.653 525 HD1 PHE 54 2HD PHE 54 -2.607 0.299 -2.056 526 HD2 PHE 54 1HD PHE 54 -1.634 3.881 -4.160 527 HE1 PHE 54 2HE PHE 54 -0.461 -0.678 -2.758 528 HE2 PHE 54 1HE PHE 54 0.459 2.854 -4.918 529 HZ PHE 54 HZ PHE 54 1.052 0.585 -4.219 530 QB PHE 54 QB PHE 54 -3.693 3.142 -2.121 531 QR PHE 54 QR PHE 54 -1.061 1.589 -3.472 532 NH1 ARG 55 NH1 ARG 55 -6.701 9.082 -7.167 533 NH2 ARG 55 NH2 ARG 55 -6.456 10.049 -9.240 534 H ARG 55 HN ARG 55 -4.643 4.806 -4.420 535 HA ARG 55 HA ARG 55 -3.532 4.136 -7.120 536 1HB ARG 55 2HB ARG 55 -6.022 4.903 -6.974 537 2HB ARG 55 3HB ARG 55 -5.362 6.486 -6.577 538 1HG ARG 55 2HG ARG 55 -3.886 6.154 -8.715 539 2HG ARG 55 3HG ARG 55 -5.036 4.894 -9.121 540 1HD ARG 55 2HD ARG 55 -5.937 6.810 -10.181 541 2HD ARG 55 3HD ARG 55 -6.861 6.715 -8.678 542 HE ARG 55 HE ARG 55 -4.400 8.422 -8.798 543 1HH1 ARG 55 2HH ARG 55 -6.427 8.339 -6.540 544 2HH1 ARG 55 1HH ARG 55 -7.358 9.761 -6.855 545 1HH2 ARG 55 2HH ARG 55 -5.994 10.009 -10.147 546 2HH2 ARG 55 1HH ARG 55 -7.104 10.780 -9.046 547 QB ARG 55 QB ARG 55 -5.691 5.695 -6.776 548 QG ARG 55 QG ARG 55 -4.461 5.524 -8.918 549 QD ARG 55 QD ARG 55 -6.399 6.763 -9.429 550 QH1 ARG 55 QH1 ARG 55 -6.893 9.050 -6.697 551 QH2 ARG 55 QH2 ARG 55 -6.550 10.394 -9.597 552 H VAL 56 HN VAL 56 -1.858 5.440 -7.814 553 HA VAL 56 HA VAL 56 -0.940 7.559 -5.907 554 HB VAL 56 HB VAL 56 0.946 6.288 -7.869 555 1HG1 VAL 56 1HG VAL 56 1.622 8.197 -6.426 556 2HG1 VAL 56 2HG VAL 56 1.246 7.258 -5.000 557 3HG1 VAL 56 3HG VAL 56 2.558 6.749 -6.056 558 1HG2 VAL 56 1HG VAL 56 -0.210 4.346 -6.785 559 2HG2 VAL 56 2HG VAL 56 1.476 4.467 -6.300 560 3HG2 VAL 56 3HG VAL 56 0.210 5.012 -5.209 561 QG1 VAL 56 QG1 VAL 56 1.809 7.401 -5.827 562 QG2 VAL 56 QG2 VAL 56 0.492 4.608 -6.098 563 QQG VAL 56 QQG VAL 56 1.150 6.005 -5.963 564 H LYS 57 HN LYS 57 -0.381 9.506 -6.796 565 HA LYS 57 HA LYS 57 -1.277 9.961 -9.623 566 1HB LYS 57 2HB LYS 57 -1.894 12.266 -8.780 567 2HB LYS 57 3HB LYS 57 -2.820 10.952 -8.079 568 1HG LYS 57 2HG LYS 57 -0.767 11.067 -6.296 569 2HG LYS 57 3HG LYS 57 -0.751 12.723 -6.830 570 1HD LYS 57 2HD LYS 57 -2.168 12.550 -4.869 571 2HD LYS 57 3HD LYS 57 -3.181 12.884 -6.264 572 1HE LYS 57 2HE LYS 57 -4.229 11.149 -4.908 573 2HE LYS 57 3HE LYS 57 -3.718 10.444 -6.425 574 1HZ LYS 57 1HZ LYS 57 -1.585 10.139 -4.629 575 2HZ LYS 57 2HZ LYS 57 -3.013 9.723 -3.802 576 3HZ LYS 57 3HZ LYS 57 -2.641 8.926 -5.264 577 QB LYS 57 QB LYS 57 -2.358 11.609 -8.429 578 QG LYS 57 QG LYS 57 -0.759 11.895 -6.563 579 QD LYS 57 QD LYS 57 -2.674 12.717 -5.566 580 QE LYS 57 QE LYS 57 -3.974 10.796 -5.666 581 QZ LYS 57 QZ LYS 57 -2.414 9.596 -4.565 582 H ALA 58 HN ALA 58 0.779 9.778 -10.543 583 HA ALA 58 HA ALA 58 3.028 10.357 -11.038 584 1HB ALA 58 3HB ALA 58 1.527 11.666 -12.440 585 2HB ALA 58 1HB ALA 58 1.488 12.936 -11.215 586 3HB ALA 58 2HB ALA 58 2.991 12.578 -12.064 587 QB ALA 58 QB ALA 58 2.002 12.393 -11.906 588 H GLU 59 HN GLU 59 2.398 10.751 -8.235 589 HA GLU 59 HA GLU 59 4.196 12.954 -7.419 590 1HB GLU 59 2HB GLU 59 3.366 12.307 -5.102 591 2HB GLU 59 3HB GLU 59 2.104 12.852 -6.196 592 1HG GLU 59 2HG GLU 59 1.330 10.615 -6.597 593 2HG GLU 59 3HG GLU 59 2.757 9.902 -5.855 594 QB GLU 59 QB GLU 59 2.735 12.580 -5.649 595 QG GLU 59 QG GLU 59 2.044 10.258 -6.226 596 H ASP 60 HN ASP 60 5.888 11.563 -8.541 597 HA ASP 60 HA ASP 60 7.644 9.993 -8.425 598 1HB ASP 60 2HB ASP 60 8.531 11.519 -6.814 599 2HB ASP 60 3HB ASP 60 7.355 11.042 -5.609 600 QB ASP 60 QB ASP 60 7.943 11.281 -6.211 601 H ILE 61 HN ILE 61 5.461 8.759 -8.829 602 HA ILE 61 HA ILE 61 4.485 6.922 -6.898 603 HB ILE 61 HB ILE 61 4.662 6.607 -9.926 604 1HG1 ILE 61 2HG ILE 61 2.574 7.816 -8.081 605 2HG1 ILE 61 3HG ILE 61 3.502 8.656 -9.297 606 1HG2 ILE 61 1HG ILE 61 4.223 4.470 -8.716 607 2HG2 ILE 61 2HG ILE 61 2.877 5.224 -7.875 608 3HG2 ILE 61 3HG ILE 61 2.810 4.987 -9.620 609 1HD1 ILE 61 3HD ILE 61 1.498 6.448 -9.879 610 2HD1 ILE 61 1HD ILE 61 1.198 8.160 -10.072 611 3HD1 ILE 61 2HD ILE 61 2.405 7.366 -11.070 612 QG1 ILE 61 QG1 ILE 61 3.038 8.236 -8.690 613 QG2 ILE 61 QG2 ILE 61 3.303 4.894 -8.737 614 QD1 ILE 61 QD1 ILE 61 1.701 7.325 -10.341 615 H LEU 62 HN LEU 62 7.257 6.936 -8.982 616 HA LEU 62 HA LEU 62 8.158 4.329 -8.970 617 1HB LEU 62 2HB LEU 62 9.691 6.910 -8.551 618 2HB LEU 62 3HB LEU 62 10.516 5.358 -8.587 619 HG LEU 62 HG LEU 62 9.399 4.921 -10.844 620 1HD1 LEU 62 2HD LEU 62 8.766 7.889 -10.627 621 2HD1 LEU 62 3HD LEU 62 8.601 6.914 -12.084 622 3HD1 LEU 62 1HD LEU 62 7.589 6.580 -10.692 623 1HD2 LEU 62 2HD LEU 62 11.755 5.630 -10.665 624 2HD2 LEU 62 3HD LEU 62 10.999 6.330 -12.097 625 3HD2 LEU 62 1HD LEU 62 11.254 7.322 -10.661 626 QB LEU 62 QB LEU 62 10.103 6.134 -8.569 627 QD1 LEU 62 QD1 LEU 62 8.319 7.127 -11.134 628 QD2 LEU 62 QD2 LEU 62 11.336 6.427 -11.141 629 QQD LEU 62 QQD LEU 62 9.827 6.778 -11.137 630 H ALA 63 HN ALA 63 8.653 6.706 -6.369 631 HA ALA 63 HA ALA 63 9.891 5.077 -4.470 632 1HB ALA 63 2HB ALA 63 7.788 7.221 -4.004 633 2HB ALA 63 3HB ALA 63 8.864 6.581 -2.760 634 3HB ALA 63 1HB ALA 63 9.527 7.470 -4.125 635 QB ALA 63 QB ALA 63 8.726 7.091 -3.629 636 H VAL 64 HN VAL 64 6.383 5.241 -5.119 637 HA VAL 64 HA VAL 64 5.711 3.523 -2.864 638 HB VAL 64 HB VAL 64 4.155 3.973 -5.446 639 1HG1 VAL 64 3HG VAL 64 3.320 2.891 -2.725 640 2HG1 VAL 64 1HG VAL 64 2.217 3.264 -4.040 641 3HG1 VAL 64 2HG VAL 64 3.400 1.980 -4.230 642 1HG2 VAL 64 2HG VAL 64 3.943 5.343 -2.743 643 2HG2 VAL 64 3HG VAL 64 4.568 6.082 -4.213 644 3HG2 VAL 64 1HG VAL 64 2.871 5.627 -4.112 645 QG1 VAL 64 QG1 VAL 64 2.979 2.712 -3.665 646 QG2 VAL 64 QG2 VAL 64 3.794 5.685 -3.689 647 QQG VAL 64 QQG VAL 64 3.386 4.198 -3.677 648 H GLU 65 HN GLU 65 6.298 3.045 -6.312 649 HA GLU 65 HA GLU 65 5.805 0.214 -6.359 650 1HB GLU 65 2HB GLU 65 7.766 1.744 -8.126 651 2HB GLU 65 3HB GLU 65 6.941 0.236 -8.511 652 1HG GLU 65 2HG GLU 65 4.762 1.729 -7.999 653 2HG GLU 65 3HG GLU 65 5.846 3.038 -8.426 654 QB GLU 65 QB GLU 65 7.354 0.990 -8.318 655 QG GLU 65 QG GLU 65 5.304 2.383 -8.213 656 H ASP 66 HN ASP 66 8.877 2.010 -6.195 657 HA ASP 66 HA ASP 66 10.684 -0.024 -5.760 658 1HB ASP 66 2HB ASP 66 10.384 2.865 -5.205 659 2HB ASP 66 3HB ASP 66 11.551 2.062 -4.205 660 QB ASP 66 QB ASP 66 10.968 2.463 -4.704 661 H PHE 67 HN PHE 67 8.874 1.825 -3.380 662 HA PHE 67 HA PHE 67 9.766 0.565 -0.991 663 1HB PHE 67 2HB PHE 67 8.377 2.653 -1.147 664 2HB PHE 67 3HB PHE 67 6.997 1.669 -1.597 665 HD1 PHE 67 2HD PHE 67 9.612 1.776 1.114 666 HD2 PHE 67 1HD PHE 67 5.556 0.959 0.096 667 HE1 PHE 67 2HE PHE 67 9.089 1.379 3.483 668 HE2 PHE 67 1HE PHE 67 5.033 0.613 2.465 669 HZ PHE 67 HZ PHE 67 6.804 0.750 4.152 670 QB PHE 67 QB PHE 67 7.687 2.160 -1.372 671 QR PHE 67 QR PHE 67 7.322 1.183 1.790 672 H LEU 68 HN LEU 68 7.220 -0.296 -3.234 673 HA LEU 68 HA LEU 68 6.363 -2.571 -1.549 674 1HB LEU 68 2HB LEU 68 5.522 -1.735 -4.345 675 2HB LEU 68 3HB LEU 68 4.775 -3.019 -3.407 676 HG LEU 68 HG LEU 68 4.982 -0.199 -2.332 677 1HD1 LEU 68 2HD LEU 68 2.715 -1.444 -3.931 678 2HD1 LEU 68 3HD LEU 68 2.671 0.124 -3.127 679 3HD1 LEU 68 1HD LEU 68 3.764 -0.141 -4.483 680 1HD2 LEU 68 1HD LEU 68 3.162 -2.568 -1.725 681 2HD2 LEU 68 2HD LEU 68 4.497 -2.008 -0.720 682 3HD2 LEU 68 3HD LEU 68 3.080 -0.993 -0.943 683 QB LEU 68 QB LEU 68 5.149 -2.377 -3.876 684 QD1 LEU 68 QD1 LEU 68 3.050 -0.487 -3.848 685 QD2 LEU 68 QD2 LEU 68 3.580 -1.857 -1.130 686 QQD LEU 68 QQD LEU 68 3.315 -1.171 -2.488 687 H GLU 69 HN GLU 69 8.490 -2.133 -4.263 688 HA GLU 69 HA GLU 69 8.420 -5.040 -4.862 689 1HB GLU 69 2HB GLU 69 8.631 -3.006 -6.565 690 2HB GLU 69 3HB GLU 69 10.342 -3.155 -6.194 691 1HG GLU 69 2HG GLU 69 10.272 -4.719 -7.884 692 2HG GLU 69 3HG GLU 69 9.731 -5.786 -6.592 693 QB GLU 69 QB GLU 69 9.487 -3.080 -6.379 694 QG GLU 69 QG GLU 69 10.001 -5.253 -7.238 695 H GLN 70 HN GLN 70 10.753 -2.573 -3.816 696 HA GLN 70 HA GLN 70 13.036 -4.159 -3.574 697 1HB GLN 70 2HB GLN 70 12.051 -1.819 -1.934 698 2HB GLN 70 3HB GLN 70 13.568 -2.619 -1.532 699 1HG GLN 70 2HG GLN 70 14.273 -2.308 -3.959 700 2HG GLN 70 3HG GLN 70 12.837 -1.317 -4.184 701 1HE2 GLN 70 2HE GLN 70 14.909 1.415 -3.324 702 2HE2 GLN 70 1HE GLN 70 13.972 0.664 -4.532 703 QB GLN 70 QB GLN 70 12.809 -2.220 -1.733 704 QG GLN 70 QG GLN 70 13.555 -1.813 -4.071 705 QE2 GLN 70 QE2 GLN 70 14.441 1.040 -3.928 706 H ASN 71 HN ASN 71 10.227 -4.166 -1.469 707 HA ASN 71 HA ASN 71 11.502 -6.380 0.069 708 1HB ASN 71 2HB ASN 71 9.909 -5.730 1.870 709 2HB ASN 71 3HB ASN 71 11.111 -4.493 1.528 710 1HD2 ASN 71 2HD ASN 71 8.406 -2.315 1.147 711 2HD2 ASN 71 1HD ASN 71 9.830 -2.654 1.975 712 QB ASN 71 QB ASN 71 10.510 -5.111 1.699 713 QD2 ASN 71 QD2 ASN 71 9.118 -2.485 1.560 714 H GLU 72 HN GLU 72 9.827 -6.339 -2.444 715 HA GLU 72 HA GLU 72 7.699 -7.079 -3.232 716 1HB GLU 72 2HB GLU 72 9.347 -8.983 -3.324 717 2HB GLU 72 3HB GLU 72 8.710 -9.538 -1.782 718 1HG GLU 72 2HG GLU 72 6.427 -9.682 -2.806 719 2HG GLU 72 3HG GLU 72 7.104 -9.168 -4.345 720 QB GLU 72 QB GLU 72 9.028 -9.260 -2.553 721 QG GLU 72 QG GLU 72 6.765 -9.424 -3.576 722 H LEU 73 HN LEU 73 6.802 -5.617 -1.482 723 HA LEU 73 HA LEU 73 5.535 -6.820 0.798 724 1HB LEU 73 2HB LEU 73 6.130 -4.298 0.231 725 2HB LEU 73 3HB LEU 73 4.556 -4.297 -0.533 726 HG LEU 73 HG LEU 73 3.591 -5.159 1.623 727 1HD1 LEU 73 2HD LEU 73 6.400 -4.554 2.625 728 2HD1 LEU 73 3HD LEU 73 5.020 -4.810 3.679 729 3HD1 LEU 73 1HD LEU 73 5.594 -6.118 2.654 730 1HD2 LEU 73 2HD LEU 73 5.092 -2.513 1.723 731 2HD2 LEU 73 3HD LEU 73 3.498 -2.770 1.016 732 3HD2 LEU 73 1HD LEU 73 3.725 -2.936 2.750 733 QB LEU 73 QB LEU 73 5.343 -4.297 -0.150 734 QD1 LEU 73 QD1 LEU 73 5.671 -5.160 2.986 735 QD2 LEU 73 QD2 LEU 73 4.105 -2.740 1.830 736 QQD LEU 73 QQD LEU 73 4.888 -3.949 2.408 737 H GLN 74 HN GLN 74 4.793 -8.588 -0.479 738 HA GLN 74 HA GLN 74 3.275 -9.564 -2.152 739 1HB GLN 74 2HB GLN 74 1.868 -9.119 0.499 740 2HB GLN 74 3HB GLN 74 1.560 -10.432 -0.630 741 1HG GLN 74 2HG GLN 74 4.230 -9.913 0.756 742 2HG GLN 74 3HG GLN 74 3.074 -11.146 1.226 743 1HE2 GLN 74 2HE GLN 74 5.578 -11.874 -1.870 744 2HE2 GLN 74 1HE GLN 74 5.710 -10.466 -0.923 745 QB GLN 74 QB GLN 74 1.714 -9.775 -0.066 746 QG GLN 74 QG GLN 74 3.652 -10.529 0.990 747 QE2 GLN 74 QE2 GLN 74 5.644 -11.170 -1.397 748 OH TYR 75 OH TYR 75 5.873 -3.646 -6.915 749 H TYR 75 HN TYR 75 3.046 -7.437 -3.401 750 HA TYR 75 HA TYR 75 0.156 -6.698 -3.429 751 1HB TYR 75 2HB TYR 75 0.699 -4.402 -3.772 752 2HB TYR 75 3HB TYR 75 1.788 -4.904 -2.491 753 HD1 TYR 75 HD1 TYR 75 4.127 -5.978 -3.459 754 HD2 TYR 75 HD2 TYR 75 1.603 -3.271 -5.573 755 HE1 TYR 75 HE1 TYR 75 5.965 -5.441 -4.980 756 HE2 TYR 75 HE2 TYR 75 3.471 -2.680 -7.030 757 HH TYR 75 HH TYR 75 6.223 -4.446 -7.346 758 QB TYR 75 QB TYR 75 1.244 -4.653 -3.132 759 QR TYR 75 QR TYR 75 3.792 -4.342 -5.261 760 H GLU 76 HN GLU 76 -0.404 -5.626 -5.545 761 HA GLU 76 HA GLU 76 1.226 -6.513 -7.836 762 1HB GLU 76 2HB GLU 76 -0.541 -7.817 -8.856 763 2HB GLU 76 3HB GLU 76 -0.290 -8.433 -7.238 764 1HG GLU 76 2HG GLU 76 -2.490 -6.460 -7.947 765 2HG GLU 76 3HG GLU 76 -2.711 -8.195 -7.923 766 QB GLU 76 QB GLU 76 -0.415 -8.125 -8.046 767 QG GLU 76 QG GLU 76 -2.601 -7.328 -7.935 768 H VAL 77 HN VAL 77 -0.078 -5.830 -9.914 769 HA VAL 77 HA VAL 77 -0.949 -3.012 -9.458 770 HB VAL 77 HB VAL 77 -0.149 -4.477 -12.016 771 1HG1 VAL 77 1HG VAL 77 -0.657 -1.512 -11.531 772 2HG1 VAL 77 2HG VAL 77 -0.044 -2.209 -13.030 773 3HG1 VAL 77 3HG VAL 77 -1.674 -2.584 -12.488 774 1HG2 VAL 77 3HG VAL 77 1.367 -2.476 -10.297 775 2HG2 VAL 77 1HG VAL 77 1.743 -4.188 -10.475 776 3HG2 VAL 77 2HG VAL 77 1.925 -3.101 -11.847 777 QG1 VAL 77 QG1 VAL 77 -0.792 -2.102 -12.350 778 QG2 VAL 77 QG2 VAL 77 1.678 -3.255 -10.873 779 QQG VAL 77 QQG VAL 77 0.444 -2.678 -11.612 780 H LEU 78 HN LEU 78 -3.014 -2.374 -10.776 781 HA LEU 78 HA LEU 78 -5.005 -4.184 -10.406 782 1HB LEU 78 2HB LEU 78 -4.825 -1.568 -11.462 783 2HB LEU 78 3HB LEU 78 -5.727 -2.510 -12.659 784 HG LEU 78 HG LEU 78 -6.170 -2.588 -9.682 785 1HD1 LEU 78 1HD LEU 78 -6.933 -0.423 -10.663 786 2HD1 LEU 78 2HD LEU 78 -7.911 -1.306 -11.821 787 3HD1 LEU 78 3HD LEU 78 -8.285 -1.386 -10.102 788 1HD2 LEU 78 1HD LEU 78 -6.860 -4.661 -10.902 789 2HD2 LEU 78 2HD LEU 78 -8.282 -3.802 -10.344 790 3HD2 LEU 78 3HD LEU 78 -7.795 -3.694 -12.030 791 QB LEU 78 QB LEU 78 -5.276 -2.039 -12.061 792 QD1 LEU 78 QD1 LEU 78 -7.710 -1.038 -10.862 793 QD2 LEU 78 QD2 LEU 78 -7.645 -4.052 -11.092 794 QQD LEU 78 QQD LEU 78 -7.678 -2.546 -10.977 795 H ILE 79 HN ILE 79 -4.096 -6.104 -11.144 796 HA ILE 79 HA ILE 79 -4.544 -6.649 -14.029 797 HB ILE 79 HB ILE 79 -3.350 -8.603 -12.030 798 1HG1 ILE 79 2HG ILE 79 -1.809 -6.591 -13.716 799 2HG1 ILE 79 3HG ILE 79 -1.984 -6.532 -11.972 800 1HG2 ILE 79 3HG ILE 79 -4.106 -9.461 -14.255 801 2HG2 ILE 79 1HG ILE 79 -3.020 -8.322 -15.047 802 3HG2 ILE 79 2HG ILE 79 -2.368 -9.619 -14.053 803 1HD1 ILE 79 1HD ILE 79 -0.866 -8.748 -11.782 804 2HD1 ILE 79 2HD ILE 79 -0.629 -8.761 -13.528 805 3HD1 ILE 79 3HD ILE 79 0.174 -7.548 -12.543 806 QG1 ILE 79 QG1 ILE 79 -1.897 -6.562 -12.844 807 QG2 ILE 79 QG2 ILE 79 -3.164 -9.134 -14.452 808 QD1 ILE 79 QD1 ILE 79 -0.440 -8.352 -12.618 809 H ASN 80 HN ASN 80 -5.870 -6.505 -11.295 810 HA ASN 80 HA ASN 80 -8.370 -7.712 -11.738 811 1HB ASN 80 2HB ASN 80 -6.663 -9.749 -11.135 812 2HB ASN 80 3HB ASN 80 -7.030 -9.208 -9.498 813 1HD2 ASN 80 2HD ASN 80 -9.646 -11.694 -10.728 814 2HD2 ASN 80 1HD ASN 80 -7.951 -11.769 -10.721 815 QB ASN 80 QB ASN 80 -6.847 -9.479 -10.316 816 QD2 ASN 80 QD2 ASN 80 -8.799 -11.732 -10.724 817 H ASN 81 HN ASN 81 -9.746 -7.026 -9.929 818 HA ASN 81 HA ASN 81 -8.327 -5.040 -8.190 819 1HB ASN 81 2HB ASN 81 -10.154 -4.230 -9.778 820 2HB ASN 81 3HB ASN 81 -11.293 -5.116 -8.773 821 1HD2 ASN 81 ASN 81 -9.452 -1.809 -7.147 822 2HD2 ASN 81 1HD ASN 81 -8.680 -2.642 -8.412 823 QB ASN 81 QB ASN 81 -10.723 -4.673 -9.275 824 QD2 ASN 81 QD2 ASN 81 -9.066 -2.226 -7.780 Start of MODEL 20 Raw file had 824 H/Q atoms Start of MODEL 20 1 1H HIS 1 HN2 HIS 1 3.887 7.874 -20.487 2 2H HIS 1 HN3 HIS 1 2.948 6.509 -20.486 3 3H HIS 1 HN1 HIS 1 3.135 7.387 -19.095 4 HA HIS 1 HA HIS 1 4.838 6.129 -18.515 5 1HB HIS 1 2HB HIS 1 5.499 4.859 -21.058 6 2HB HIS 1 3HB HIS 1 5.005 4.124 -19.557 7 HD1 HIS 1 HD1 HIS 1 2.261 4.521 -19.183 8 HD2 HIS 1 HD2 HIS 1 3.617 4.362 -23.069 9 HE1 HIS 1 HE1 HIS 1 0.253 4.095 -20.625 10 QB HIS 1 QB HIS 1 5.252 4.492 -20.307 11 H HIS 2 HN HIS 2 7.005 6.539 -18.419 12 HA HIS 2 HA HIS 2 8.542 8.478 -18.847 13 1HB HIS 2 2HB HIS 2 9.471 6.192 -18.654 14 2HB HIS 2 3HB HIS 2 9.320 5.988 -20.375 15 HD1 HIS 2 HD1 HIS 2 10.736 7.866 -21.764 16 HD2 HIS 2 HD2 HIS 2 11.962 7.220 -17.882 17 HE1 HIS 2 HE1 HIS 2 13.078 8.764 -21.587 18 QB HIS 2 QB HIS 2 9.395 6.090 -19.514 19 H SER 3 HN SER 3 8.158 6.721 -21.896 20 HA SER 3 HA SER 3 8.158 9.344 -23.335 21 1HB SER 3 2HB SER 3 9.405 6.719 -24.271 22 2HB SER 3 3HB SER 3 9.394 8.248 -25.174 23 HG SER 3 HG SER 3 10.971 8.911 -23.950 24 QB SER 3 QB SER 3 9.399 7.484 -24.723 25 H GLY 4 HN GLY 4 5.821 8.923 -22.816 26 1HA GLY 4 1HA GLY 4 4.274 8.401 -25.040 27 2HA GLY 4 2HA GLY 4 4.494 6.798 -24.337 28 QA GLY 4 QA GLY 4 4.383 7.600 -24.689 29 H GLU 5 HN GLU 5 3.419 10.064 -23.594 30 HA GLU 5 HA GLU 5 2.011 9.252 -21.183 31 1HB GLU 5 2HB GLU 5 2.186 11.796 -22.808 32 2HB GLU 5 3HB GLU 5 1.053 11.661 -21.472 33 1HG GLU 5 2HG GLU 5 3.570 12.557 -21.114 34 2HG GLU 5 3HG GLU 5 2.735 11.643 -19.870 35 QB GLU 5 QB GLU 5 1.620 11.728 -22.140 36 QG GLU 5 QG GLU 5 3.152 12.100 -20.492 37 H HIS 6 HN HIS 6 1.073 7.495 -22.520 38 HA HIS 6 HA HIS 6 -1.205 8.145 -24.237 39 1HB HIS 6 2HB HIS 6 -0.530 5.497 -22.929 40 2HB HIS 6 3HB HIS 6 -1.496 5.747 -24.359 41 HD1 HIS 6 HD1 HIS 6 0.919 3.934 -24.395 42 HD2 HIS 6 HD2 HIS 6 1.144 7.872 -25.566 43 HE1 HIS 6 HE1 HIS 6 2.896 4.107 -25.948 44 QB HIS 6 QB HIS 6 -1.013 5.622 -23.643 45 H PHE 7 HN PHE 7 -1.704 9.551 -22.132 46 HA PHE 7 HA PHE 7 -3.288 10.013 -20.455 47 1HB PHE 7 2HB PHE 7 -4.651 7.401 -21.156 48 2HB PHE 7 3HB PHE 7 -5.385 8.902 -20.613 49 HD1 PHE 7 2HD PHE 7 -3.761 10.756 -22.526 50 HD2 PHE 7 1HD PHE 7 -5.947 7.153 -23.176 51 HE1 PHE 7 2HE PHE 7 -4.081 11.370 -24.874 52 HE2 PHE 7 1HE PHE 7 -6.257 7.774 -25.528 53 HZ PHE 7 HZ PHE 7 -5.338 9.887 -26.381 54 QB PHE 7 QB PHE 7 -5.017 8.151 -20.885 55 QR PHE 7 QR PHE 7 -5.011 9.264 -24.026 56 H GLU 8 HN GLU 8 -0.989 8.929 -19.585 57 HA GLU 8 HA GLU 8 -1.744 6.790 -17.641 58 1HB GLU 8 2HB GLU 8 0.151 6.338 -19.188 59 2HB GLU 8 3HB GLU 8 0.984 7.756 -18.581 60 1HG GLU 8 2HG GLU 8 0.629 6.516 -16.214 61 2HG GLU 8 3HG GLU 8 0.530 5.098 -17.246 62 QB GLU 8 QB GLU 8 0.568 7.047 -18.883 63 QG GLU 8 QG GLU 8 0.579 5.807 -16.730 64 H GLY 9 HN GLY 9 1.107 8.331 -16.746 65 1HA GLY 9 1HA GLY 9 1.595 10.041 -15.169 66 2HA GLY 9 2HA GLY 9 -0.105 10.519 -15.198 67 QA GLY 9 QA GLY 9 0.746 10.280 -15.183 68 H GLU 10 HN GLU 10 -1.603 8.784 -14.297 69 HA GLU 10 HA GLU 10 -0.426 7.861 -11.725 70 1HB GLU 10 2HB GLU 10 -2.793 7.827 -10.908 71 2HB GLU 10 3HB GLU 10 -2.272 9.424 -11.420 72 1HG GLU 10 2HG GLU 10 -3.553 9.367 -13.391 73 2HG GLU 10 3HG GLU 10 -3.681 7.610 -13.375 74 QB GLU 10 QB GLU 10 -2.533 8.625 -11.164 75 QG GLU 10 QG GLU 10 -3.617 8.489 -13.383 76 H LYS 11 HN LYS 11 -1.298 5.871 -10.822 77 HA LYS 11 HA LYS 11 -2.411 3.912 -12.722 78 1HB LYS 11 2HB LYS 11 0.320 3.601 -11.405 79 2HB LYS 11 3HB LYS 11 -0.569 2.250 -12.091 80 1HG LYS 11 2HG LYS 11 -0.578 3.358 -14.307 81 2HG LYS 11 3HG LYS 11 0.275 4.739 -13.634 82 1HD LYS 11 2HD LYS 11 1.423 1.935 -13.474 83 2HD LYS 11 3HD LYS 11 1.692 2.968 -14.870 84 1HE LYS 11 2HE LYS 11 2.587 4.738 -13.315 85 2HE LYS 11 3HE LYS 11 2.464 3.582 -11.995 86 1HZ LYS 11 2HZ LYS 11 3.844 2.317 -14.068 87 2HZ LYS 11 3HZ LYS 11 4.523 3.862 -13.895 88 3HZ LYS 11 1HZ LYS 11 4.465 2.807 -12.562 89 QB LYS 11 QB LYS 11 -0.124 2.925 -11.748 90 QG LYS 11 QG LYS 11 -0.152 4.048 -13.971 91 QD LYS 11 QD LYS 11 1.558 2.451 -14.173 92 QE LYS 11 QE LYS 11 2.526 4.160 -12.655 93 QZ LYS 11 QZ LYS 11 4.277 2.995 -13.509 94 H VAL 12 HN VAL 12 -2.932 1.845 -11.544 95 HA VAL 12 HA VAL 12 -3.606 2.348 -8.719 96 HB VAL 12 HB VAL 12 -5.194 0.369 -9.402 97 1HG1 VAL 12 1HG VAL 12 -5.659 3.213 -10.327 98 2HG1 VAL 12 2HG VAL 12 -6.935 2.012 -10.125 99 3HG1 VAL 12 3HG VAL 12 -6.026 2.573 -8.725 100 1HG2 VAL 12 2HG VAL 12 -4.236 -0.010 -11.624 101 2HG2 VAL 12 3HG VAL 12 -5.940 0.407 -11.718 102 3HG2 VAL 12 1HG VAL 12 -4.725 1.615 -12.099 103 QG1 VAL 12 QG1 VAL 12 -6.207 2.599 -9.726 104 QG2 VAL 12 QG2 VAL 12 -4.967 0.671 -11.814 105 QQG VAL 12 QQG VAL 12 -5.586 1.635 -10.770 106 H PHE 13 HN PHE 13 -3.030 0.764 -7.250 107 HA PHE 13 HA PHE 13 -1.776 -1.748 -8.268 108 1HB PHE 13 2HB PHE 13 -0.512 0.144 -6.249 109 2HB PHE 13 3HB PHE 13 0.085 -1.469 -6.613 110 HD1 PHE 13 2HD PHE 13 0.630 -1.939 -9.124 111 HD2 PHE 13 1HD PHE 13 0.299 1.970 -7.503 112 HE1 PHE 13 2HE PHE 13 2.024 -1.069 -10.948 113 HE2 PHE 13 1HE PHE 13 1.678 2.854 -9.330 114 HZ PHE 13 HZ PHE 13 2.591 1.322 -11.034 115 QB PHE 13 QB PHE 13 -0.215 -0.662 -6.431 116 QR PHE 13 QR PHE 13 1.158 0.453 -9.226 117 NH1 ARG 14 NH1 ARG 14 -5.844 -8.629 -8.230 118 NH2 ARG 14 NH2 ARG 14 -7.140 -8.735 -6.395 119 H ARG 14 HN ARG 14 -2.032 -3.511 -6.765 120 HA ARG 14 HA ARG 14 -3.450 -2.761 -4.294 121 1HB ARG 14 2HB ARG 14 -4.924 -4.480 -4.595 122 2HB ARG 14 3HB ARG 14 -4.752 -3.923 -6.214 123 1HG ARG 14 2HG ARG 14 -3.621 -5.843 -6.880 124 2HG ARG 14 3HG ARG 14 -3.082 -6.222 -5.239 125 1HD ARG 14 2HD ARG 14 -5.305 -6.810 -4.534 126 2HD ARG 14 3HD ARG 14 -6.022 -6.136 -6.001 127 HE ARG 14 HE ARG 14 -4.178 -8.460 -6.209 128 1HH1 ARG 14 2HH ARG 14 -4.944 -8.460 -8.645 129 2HH1 ARG 14 1HH ARG 14 -6.609 -8.944 -8.799 130 1HH2 ARG 14 2HH ARG 14 -7.253 -8.608 -5.414 131 2HH2 ARG 14 1HH ARG 14 -7.903 -9.108 -6.961 132 QB ARG 14 QB ARG 14 -4.838 -4.201 -5.405 133 QG ARG 14 QG ARG 14 -3.352 -6.033 -6.060 134 QD ARG 14 QD ARG 14 -5.664 -6.472 -5.267 135 QH1 ARG 14 QH1 ARG 14 -5.777 -8.702 -8.722 136 QH2 ARG 14 QH2 ARG 14 -7.578 -8.857 -6.188 137 H VAL 15 HN VAL 15 -2.888 -3.842 -2.447 138 HA VAL 15 HA VAL 15 -0.347 -5.422 -2.651 139 HB VAL 15 HB VAL 15 -1.326 -4.032 -0.143 140 1HG1 VAL 15 2HG VAL 15 0.564 -5.628 0.016 141 2HG1 VAL 15 3HG VAL 15 1.442 -4.715 -1.205 142 3HG1 VAL 15 1HG VAL 15 1.097 -3.987 0.363 143 1HG2 VAL 15 3HG VAL 15 0.296 -2.771 -2.386 144 2HG2 VAL 15 1HG VAL 15 -1.327 -2.293 -1.896 145 3HG2 VAL 15 2HG VAL 15 0.032 -2.048 -0.804 146 QG1 VAL 15 QG1 VAL 15 1.034 -4.776 -0.275 147 QG2 VAL 15 QG2 VAL 15 -0.333 -2.371 -1.695 148 QQG VAL 15 QQG VAL 15 0.351 -3.573 -0.985 149 H ASN 16 HN ASN 16 -0.329 -7.432 -1.629 150 HA ASN 16 HA ASN 16 -2.993 -8.373 -0.673 151 1HB ASN 16 2HB ASN 16 -0.549 -10.072 -1.256 152 2HB ASN 16 3HB ASN 16 -2.230 -10.566 -1.237 153 1HD2 ASN 16 2HD ASN 16 -0.605 -9.191 -4.644 154 2HD2 ASN 16 1HD ASN 16 0.311 -9.432 -3.232 155 QB ASN 16 QB ASN 16 -1.389 -10.318 -1.247 156 QD2 ASN 16 QD2 ASN 16 -0.147 -9.311 -3.938 157 H VAL 17 HN VAL 17 -3.163 -8.319 1.565 158 HA VAL 17 HA VAL 17 -0.613 -8.266 3.106 159 HB VAL 17 HB VAL 17 -3.476 -7.602 3.902 160 1HG1 VAL 17 2HG VAL 17 -2.109 -8.450 5.815 161 2HG1 VAL 17 3HG VAL 17 -0.889 -7.235 5.461 162 3HG1 VAL 17 1HG VAL 17 -2.493 -6.745 5.982 163 1HG2 VAL 17 2HG VAL 17 -1.060 -5.840 3.393 164 2HG2 VAL 17 3HG VAL 17 -2.469 -5.977 2.350 165 3HG2 VAL 17 1HG VAL 17 -2.631 -5.276 3.957 166 QG1 VAL 17 QG1 VAL 17 -1.831 -7.477 5.753 167 QG2 VAL 17 QG2 VAL 17 -2.053 -5.698 3.233 168 QQG VAL 17 QQG VAL 17 -1.942 -6.587 4.493 169 H GLU 18 HN GLU 18 -0.143 -9.742 4.649 170 HA GLU 18 HA GLU 18 -1.896 -12.126 4.798 171 1HB GLU 18 2HB GLU 18 1.082 -11.717 5.243 172 2HB GLU 18 3HB GLU 18 0.247 -13.201 5.620 173 1HG GLU 18 2HG GLU 18 0.412 -11.903 2.879 174 2HG GLU 18 3HG GLU 18 1.262 -13.358 3.380 175 QB GLU 18 QB GLU 18 0.665 -12.459 5.431 176 QG GLU 18 QG GLU 18 0.836 -12.630 3.129 177 H ASP 19 HN ASP 19 0.285 -10.112 6.813 178 HA ASP 19 HA ASP 19 -1.621 -10.594 9.056 179 1HB ASP 19 2HB ASP 19 0.008 -11.413 10.581 180 2HB ASP 19 3HB ASP 19 0.322 -12.305 9.101 181 QB ASP 19 QB ASP 19 0.165 -11.859 9.842 182 H GLU 20 HN GLU 20 0.635 -9.428 10.782 183 HA GLU 20 HA GLU 20 -0.160 -6.657 10.445 184 1HB GLU 20 2HB GLU 20 1.826 -8.055 12.296 185 2HB GLU 20 3HB GLU 20 1.291 -6.408 12.469 186 1HG GLU 20 2HG GLU 20 -1.055 -7.206 12.799 187 2HG GLU 20 3HG GLU 20 -0.477 -8.866 12.669 188 QB GLU 20 QB GLU 20 1.558 -7.231 12.383 189 QG GLU 20 QG GLU 20 -0.766 -8.036 12.735 190 H ASN 21 HN ASN 21 2.723 -8.601 9.671 191 HA ASN 21 HA ASN 21 4.687 -6.735 9.457 192 1HB ASN 21 2HB ASN 21 3.833 -9.087 7.767 193 2HB ASN 21 3HB ASN 21 5.318 -8.264 7.549 194 1HD2 ASN 21 2HD ASN 21 5.167 -11.031 10.355 195 2HD2 ASN 21 1HD ASN 21 4.004 -10.857 9.131 196 QB ASN 21 QB ASN 21 4.575 -8.675 7.659 197 QD2 ASN 21 QD2 ASN 21 4.585 -10.945 9.743 198 H ASP 22 HN ASP 22 2.847 -7.740 6.582 199 HA ASP 22 HA ASP 22 3.660 -5.605 4.930 200 1HB ASP 22 2HB ASP 22 2.233 -7.806 4.442 201 2HB ASP 22 3HB ASP 22 0.860 -6.727 4.611 202 QB ASP 22 QB ASP 22 1.547 -7.267 4.527 203 H ILE 23 HN ILE 23 0.917 -5.637 7.259 204 HA ILE 23 HA ILE 23 -0.127 -3.111 6.270 205 HB ILE 23 HB ILE 23 -0.317 -4.194 9.117 206 1HG1 ILE 23 2HG ILE 23 -2.278 -4.488 6.806 207 2HG1 ILE 23 3HG ILE 23 -1.158 -5.750 7.295 208 1HG2 ILE 23 2HG ILE 23 -0.873 -1.762 8.807 209 2HG2 ILE 23 3HG ILE 23 -2.030 -2.197 7.556 210 3HG2 ILE 23 1HG ILE 23 -2.304 -2.697 9.222 211 1HD1 ILE 23 1HD ILE 23 -3.292 -4.527 9.080 212 2HD1 ILE 23 2HD ILE 23 -3.382 -6.103 8.305 213 3HD1 ILE 23 3HD ILE 23 -2.173 -5.803 9.550 214 QG1 ILE 23 QG1 ILE 23 -1.718 -5.119 7.050 215 QG2 ILE 23 QG2 ILE 23 -1.735 -2.219 8.529 216 QD1 ILE 23 QD1 ILE 23 -2.949 -5.478 8.979 217 H SER 24 HN SER 24 2.156 -3.968 8.822 218 HA SER 24 HA SER 24 2.628 -1.352 9.842 219 1HB SER 24 2HB SER 24 4.539 -3.725 9.636 220 2HB SER 24 3HB SER 24 4.750 -2.318 10.702 221 HG SER 24 HG SER 24 2.827 -4.368 10.771 222 QB SER 24 QB SER 24 4.644 -3.022 10.169 223 H GLU 25 HN GLU 25 4.169 -3.156 7.243 224 HA GLU 25 HA GLU 25 6.035 -1.108 6.453 225 1HB GLU 25 2HB GLU 25 4.687 -3.204 4.701 226 2HB GLU 25 3HB GLU 25 6.245 -2.460 4.419 227 1HG GLU 25 2HG GLU 25 5.527 -4.427 6.604 228 2HG GLU 25 3HG GLU 25 6.690 -4.638 5.319 229 QB GLU 25 QB GLU 25 5.466 -2.832 4.560 230 QG GLU 25 QG GLU 25 6.108 -4.532 5.962 231 H LEU 26 HN LEU 26 3.002 -2.064 4.785 232 HA LEU 26 HA LEU 26 2.831 -0.037 2.930 233 1HB LEU 26 2HB LEU 26 1.337 -1.942 2.917 234 2HB LEU 26 3HB LEU 26 0.743 -1.563 4.527 235 HG LEU 26 HG LEU 26 0.035 0.672 3.484 236 1HD1 LEU 26 3HD LEU 26 0.256 -1.034 0.986 237 2HD1 LEU 26 1HD LEU 26 -0.543 0.534 1.062 238 3HD1 LEU 26 2HD LEU 26 1.192 0.420 1.327 239 1HD2 LEU 26 2HD LEU 26 -1.383 -1.915 2.782 240 2HD2 LEU 26 3HD LEU 26 -1.566 -1.000 4.276 241 3HD2 LEU 26 1HD LEU 26 -2.146 -0.326 2.757 242 QB LEU 26 QB LEU 26 1.040 -1.753 3.721 243 QD1 LEU 26 QD1 LEU 26 0.302 -0.027 1.125 244 QD2 LEU 26 QD2 LEU 26 -1.698 -1.080 3.271 245 QQD LEU 26 QQD LEU 26 -0.698 -0.553 2.198 246 H HIS 27 HN HIS 27 1.945 0.001 6.335 247 HA HIS 27 HA HIS 27 0.510 2.449 6.377 248 1HB HIS 27 2HB HIS 27 1.574 0.641 8.308 249 2HB HIS 27 3HB HIS 27 2.073 2.239 8.774 250 HD1 HIS 27 HD1 HIS 27 -0.288 3.865 8.050 251 HD2 HIS 27 HD2 HIS 27 -0.729 0.208 9.879 252 HE1 HIS 27 HE1 HIS 27 -2.551 3.870 9.154 253 QB HIS 27 QB HIS 27 1.822 1.440 8.541 254 H GLU 28 HN GLU 28 3.995 1.931 6.488 255 HA GLU 28 HA GLU 28 4.754 4.559 7.243 256 1HB GLU 28 2HB GLU 28 6.290 2.598 7.131 257 2HB GLU 28 3HB GLU 28 6.238 2.645 5.380 258 1HG GLU 28 2HG GLU 28 6.949 5.182 5.729 259 2HG GLU 28 3HG GLU 28 7.435 4.631 7.327 260 QB GLU 28 QB GLU 28 6.264 2.621 6.255 261 QG GLU 28 QG GLU 28 7.192 4.907 6.528 262 H LEU 29 HN LEU 29 3.642 3.275 4.189 263 HA LEU 29 HA LEU 29 4.453 5.522 2.558 264 1HB LEU 29 2HB LEU 29 3.904 3.326 1.561 265 2HB LEU 29 3HB LEU 29 2.247 3.470 2.125 266 HG LEU 29 HG LEU 29 1.917 5.465 0.701 267 1HD1 LEU 29 1HD LEU 29 4.771 4.937 -0.204 268 2HD1 LEU 29 2HD LEU 29 3.665 6.077 -0.967 269 3HD1 LEU 29 3HD LEU 29 4.206 6.355 0.680 270 1HD2 LEU 29 3HD LEU 29 3.098 3.104 -0.805 271 2HD2 LEU 29 1HD LEU 29 1.430 3.245 -0.264 272 3HD2 LEU 29 2HD LEU 29 2.044 4.328 -1.509 273 QB LEU 29 QB LEU 29 3.076 3.398 1.843 274 QD1 LEU 29 QD1 LEU 29 4.214 5.790 -0.163 275 QD2 LEU 29 QD2 LEU 29 2.191 3.559 -0.860 276 QQD LEU 29 QQD LEU 29 3.203 4.674 -0.511 277 H ALA 30 HN ALA 30 2.030 5.001 4.874 278 HA ALA 30 HA ALA 30 0.470 7.395 3.970 279 1HB ALA 30 3HB ALA 30 -0.846 5.328 4.517 280 2HB ALA 30 1HB ALA 30 -0.157 5.336 6.137 281 3HB ALA 30 2HB ALA 30 -1.222 6.643 5.628 282 QB ALA 30 QB ALA 30 -0.742 5.769 5.427 283 H SER 31 HN SER 31 3.174 6.977 5.401 284 HA SER 31 HA SER 31 2.674 8.932 7.616 285 1HB SER 31 2HB SER 31 3.261 6.639 8.472 286 2HB SER 31 3HB SER 31 4.791 6.737 7.584 287 HG SER 31 HG SER 31 4.663 9.017 8.789 288 QB SER 31 QB SER 31 4.026 6.688 8.028 289 H THR 32 HN THR 32 4.597 8.048 4.870 290 HA THR 32 HA THR 32 6.511 10.270 5.407 291 HB THR 32 HB THR 32 7.757 9.074 3.459 292 HG1 THR 32 1HG THR 32 6.180 6.861 4.000 293 1HG2 THR 32 2HG THR 32 6.991 7.342 5.869 294 2HG2 THR 32 3HG THR 32 8.406 7.114 4.845 295 3HG2 THR 32 1HG THR 32 8.288 8.530 5.885 296 QG2 THR 32 QG2 THR 32 7.895 7.662 5.533 297 NH1 ARG 33 NH1 ARG 33 2.519 12.125 -3.264 298 NH2 ARG 33 NH2 ARG 33 3.861 12.969 -4.912 299 H ARG 33 HN ARG 33 4.837 8.900 2.586 300 HA ARG 33 HA ARG 33 4.648 11.676 1.458 301 1HB ARG 33 2HB ARG 33 5.912 9.630 0.267 302 2HB ARG 33 3HB ARG 33 4.280 9.198 -0.221 303 1HG ARG 33 2HG ARG 33 4.326 11.906 -0.771 304 2HG ARG 33 3HG ARG 33 5.984 11.453 -1.101 305 1HD ARG 33 2HD ARG 33 5.193 9.649 -2.614 306 2HD ARG 33 3HD ARG 33 3.525 10.136 -2.320 307 HE ARG 33 HE ARG 33 5.614 11.756 -3.738 308 1HH1 ARG 33 2HH ARG 33 2.379 11.498 -2.499 309 2HH1 ARG 33 1HH ARG 33 1.742 12.689 -3.572 310 1HH2 ARG 33 2HH ARG 33 4.773 13.039 -5.344 311 2HH2 ARG 33 1HH ARG 33 3.100 13.486 -5.294 312 QB ARG 33 QB ARG 33 5.096 9.414 0.023 313 QG ARG 33 QG ARG 33 5.155 11.680 -0.935 314 QD ARG 33 QD ARG 33 4.359 9.892 -2.467 315 QH1 ARG 33 QH1 ARG 33 2.060 12.093 -3.035 316 QH2 ARG 33 QH2 ARG 33 3.937 13.263 -5.320 317 H GLN 34 HN GLN 34 2.658 11.728 -0.145 318 HA GLN 34 HA GLN 34 0.338 10.607 1.362 319 1HB GLN 34 2HB GLN 34 0.401 12.841 -0.708 320 2HB GLN 34 3HB GLN 34 -1.001 12.342 0.227 321 1HG GLN 34 2HG GLN 34 0.298 12.904 2.332 322 2HG GLN 34 3HG GLN 34 1.556 13.580 1.303 323 1HE2 GLN 34 2HE GLN 34 -1.080 16.174 2.308 324 2HE2 GLN 34 1HE GLN 34 -0.331 14.967 3.238 325 QB GLN 34 QB GLN 34 -0.300 12.591 -0.240 326 QG GLN 34 QG GLN 34 0.927 13.242 1.818 327 QE2 GLN 34 QE2 GLN 34 -0.705 15.571 2.773 328 H ILE 35 HN ILE 35 -1.331 9.570 0.188 329 HA ILE 35 HA ILE 35 -0.789 8.847 -2.638 330 HB ILE 35 HB ILE 35 -1.052 6.446 -2.165 331 1HG1 ILE 35 2HG ILE 35 -1.188 7.293 0.765 332 2HG1 ILE 35 3HG ILE 35 -2.565 6.711 -0.171 333 1HG2 ILE 35 1HG ILE 35 1.216 7.530 -2.022 334 2HG2 ILE 35 2HG ILE 35 0.998 7.689 -0.282 335 3HG2 ILE 35 3HG ILE 35 1.076 6.097 -1.022 336 1HD1 ILE 35 3HD ILE 35 -1.371 4.556 -0.550 337 2HD1 ILE 35 1HD ILE 35 -0.042 5.135 0.446 338 3HD1 ILE 35 2HD ILE 35 -1.623 4.881 1.161 339 QG1 ILE 35 QG1 ILE 35 -1.877 7.001 0.297 340 QG2 ILE 35 QG2 ILE 35 1.097 7.106 -1.109 341 QD1 ILE 35 QD1 ILE 35 -1.012 4.857 0.352 342 H ASP 36 HN ASP 36 -2.781 6.857 -2.784 343 HA ASP 36 HA ASP 36 -5.311 8.256 -2.020 344 1HB ASP 36 2HB ASP 36 -4.665 8.819 -4.386 345 2HB ASP 36 3HB ASP 36 -4.642 7.110 -4.766 346 QB ASP 36 QB ASP 36 -4.653 7.965 -4.575 347 H PHE 37 HN PHE 37 -6.959 6.761 -1.446 348 HA PHE 37 HA PHE 37 -6.202 3.866 -1.656 349 1HB PHE 37 2HB PHE 37 -7.219 5.437 0.681 350 2HB PHE 37 3HB PHE 37 -7.865 3.812 0.487 351 HD1 PHE 37 2HD PHE 37 -5.869 2.065 -0.291 352 HD2 PHE 37 1HD PHE 37 -5.349 5.550 2.105 353 HE1 PHE 37 2HE PHE 37 -3.749 1.172 0.551 354 HE2 PHE 37 1HE PHE 37 -3.247 4.631 2.979 355 HZ PHE 37 HZ PHE 37 -2.445 2.432 2.210 356 QB PHE 37 QB PHE 37 -7.542 4.624 0.584 357 QR PHE 37 QR PHE 37 -4.554 3.354 1.336 358 CH2 TRP 38 CH2 TRP 38 -11.042 1.210 -9.522 359 H TRP 38 HN TRP 38 -7.751 2.490 -2.423 360 HA TRP 38 HA TRP 38 -10.321 3.799 -3.238 361 1HB TRP 38 2HB TRP 38 -8.623 3.087 -4.996 362 2HB TRP 38 3HB TRP 38 -8.962 1.444 -4.550 363 HD1 TRP 38 HD1 TRP 38 -12.221 3.213 -4.494 364 HE1 TRP 38 HE1 TRP 38 -13.495 2.864 -6.625 365 HE3 TRP 38 HE3 TRP 38 -8.498 1.367 -7.265 366 HZ2 TRP 38 HZ2 TRP 38 -13.052 1.866 -9.189 367 HZ3 TRP 38 HZ3 TRP 38 -8.977 0.656 -9.595 368 HH2 TRP 38 HH2 TRP 38 -11.232 0.899 -10.539 369 QB TRP 38 QB TRP 38 -8.793 2.265 -4.773 370 H LYS 39 HN LYS 39 -8.954 0.585 -2.417 371 HA LYS 39 HA LYS 39 -11.482 0.005 -0.931 372 1HB LYS 39 2HB LYS 39 -10.217 -2.256 -2.452 373 2HB LYS 39 3HB LYS 39 -11.897 -2.028 -2.000 374 1HG LYS 39 2HG LYS 39 -12.221 -0.389 -3.775 375 2HG LYS 39 3HG LYS 39 -10.504 -0.412 -4.162 376 1HD LYS 39 2HD LYS 39 -10.749 -2.928 -4.587 377 2HD LYS 39 3HD LYS 39 -12.485 -2.698 -4.456 378 1HE LYS 39 2HE LYS 39 -11.755 -2.675 -6.817 379 2HE LYS 39 3HE LYS 39 -12.451 -1.130 -6.349 380 1HZ LYS 39 1HZ LYS 39 -9.759 -0.913 -5.793 381 2HZ LYS 39 2HZ LYS 39 -9.814 -1.711 -7.273 382 3HZ LYS 39 3HZ LYS 39 -10.587 -0.208 -7.093 383 QB LYS 39 QB LYS 39 -11.057 -2.142 -2.226 384 QG LYS 39 QG LYS 39 -11.362 -0.400 -3.969 385 QD LYS 39 QD LYS 39 -11.617 -2.813 -4.522 386 QE LYS 39 QE LYS 39 -12.103 -1.903 -6.583 387 QZ LYS 39 QZ LYS 39 -10.053 -0.944 -6.720 388 HA PRO 40 HA PRO 40 -12.263 -1.448 0.221 389 1HB PRO 40 2HB PRO 40 -12.170 -2.396 2.958 390 2HB PRO 40 3HB PRO 40 -12.679 -3.282 1.519 391 1HG PRO 40 2HG PRO 40 -10.365 -3.827 3.010 392 2HG PRO 40 3HG PRO 40 -10.640 -4.373 1.351 393 1HD PRO 40 2HD PRO 40 -8.966 -2.084 2.335 394 2HD PRO 40 3HD PRO 40 -8.740 -3.108 0.900 395 QB PRO 40 QB PRO 40 -12.425 -2.839 2.238 396 QG PRO 40 QG PRO 40 -10.502 -4.100 2.180 397 QD PRO 40 QD PRO 40 -8.853 -2.596 1.617 398 H ASP 41 HN ASP 41 -10.525 -0.839 3.231 399 HA ASP 41 HA ASP 41 -12.077 1.678 3.617 400 1HB ASP 41 2HB ASP 41 -11.165 1.393 6.047 401 2HB ASP 41 3HB ASP 41 -12.442 0.313 5.514 402 QB ASP 41 QB ASP 41 -11.804 0.853 5.780 403 H SER 42 HN SER 42 -8.935 0.625 4.869 404 HA SER 42 HA SER 42 -7.058 1.991 3.424 405 1HB SER 42 2HB SER 42 -8.018 4.159 3.463 406 2HB SER 42 3HB SER 42 -8.695 3.937 5.082 407 HG SER 42 HG SER 42 -6.953 4.832 5.794 408 QB SER 42 QB SER 42 -8.357 4.048 4.272 409 H VAL 43 HN VAL 43 -5.085 2.526 4.756 410 HA VAL 43 HA VAL 43 -4.344 0.609 6.497 411 HB VAL 43 HB VAL 43 -2.605 2.195 6.891 412 1HG1 VAL 43 2HG VAL 43 -3.607 2.488 4.145 413 2HG1 VAL 43 3HG VAL 43 -1.965 2.830 4.665 414 3HG1 VAL 43 1HG VAL 43 -2.598 1.184 4.753 415 1HG2 VAL 43 2HG VAL 43 -4.379 4.309 5.739 416 2HG2 VAL 43 3HG VAL 43 -3.846 4.224 7.416 417 3HG2 VAL 43 1HG VAL 43 -2.685 4.547 6.144 418 QG1 VAL 43 QG1 VAL 43 -2.723 2.168 4.521 419 QG2 VAL 43 QG2 VAL 43 -3.637 4.360 6.433 420 QQG VAL 43 QQG VAL 43 -3.180 3.264 5.476 421 H THR 44 HN THR 44 -6.017 3.562 6.883 422 HA THR 44 HA THR 44 -5.861 3.686 9.703 423 HB THR 44 HB THR 44 -7.738 5.459 9.323 424 HG1 THR 44 1HG THR 44 -8.482 4.132 7.499 425 1HG2 THR 44 1HG THR 44 -5.245 6.022 8.970 426 2HG2 THR 44 2HG THR 44 -5.446 5.537 7.293 427 3HG2 THR 44 3HG THR 44 -6.326 6.921 7.910 428 QG2 THR 44 QG2 THR 44 -5.672 6.161 8.057 429 H GLN 45 HN GLN 45 -6.415 1.421 10.000 430 HA GLN 45 HA GLN 45 -7.930 0.062 11.259 431 1HB GLN 45 2HB GLN 45 -10.154 1.375 9.648 432 2HB GLN 45 3HB GLN 45 -10.366 0.143 10.874 433 1HG GLN 45 2HG GLN 45 -9.704 1.565 12.638 434 2HG GLN 45 3HG GLN 45 -8.921 2.710 11.555 435 1HE2 GLN 45 2HE GLN 45 -12.125 4.028 10.420 436 2HE2 GLN 45 1HE GLN 45 -10.682 3.441 9.732 437 QB GLN 45 QB GLN 45 -10.260 0.759 10.261 438 QG GLN 45 QG GLN 45 -9.313 2.138 12.097 439 QE2 GLN 45 QE2 GLN 45 -11.404 3.735 10.077 440 H ILE 46 HN ILE 46 -6.364 -0.479 8.981 441 HA ILE 46 HA ILE 46 -8.121 -2.049 7.200 442 HB ILE 46 HB ILE 46 -5.765 -0.670 6.790 443 1HG1 ILE 46 2HG ILE 46 -6.878 -2.863 5.017 444 2HG1 ILE 46 3HG ILE 46 -7.598 -1.267 5.180 445 1HG2 ILE 46 1HG ILE 46 -4.433 -2.532 7.766 446 2HG2 ILE 46 2HG ILE 46 -5.120 -3.633 6.578 447 3HG2 ILE 46 3HG ILE 46 -4.086 -2.312 6.059 448 1HD1 ILE 46 3HD ILE 46 -5.457 -0.246 4.414 449 2HD1 ILE 46 1HD ILE 46 -4.791 -1.857 4.188 450 3HD1 ILE 46 2HD ILE 46 -6.145 -1.324 3.208 451 QG1 ILE 46 QG1 ILE 46 -7.239 -2.065 5.098 452 QG2 ILE 46 QG2 ILE 46 -4.547 -2.826 6.801 453 QD1 ILE 46 QD1 ILE 46 -5.464 -1.143 3.936 454 H LYS 47 HN LYS 47 -7.425 -4.325 6.684 455 HA LYS 47 HA LYS 47 -6.823 -5.724 9.256 456 1HB LYS 47 2HB LYS 47 -8.739 -6.373 7.009 457 2HB LYS 47 3HB LYS 47 -8.163 -7.634 8.072 458 1HG LYS 47 2HG LYS 47 -10.299 -6.789 8.910 459 2HG LYS 47 3HG LYS 47 -9.022 -6.401 10.041 460 1HD LYS 47 2HD LYS 47 -10.600 -4.521 9.731 461 2HD LYS 47 3HD LYS 47 -8.973 -4.079 9.280 462 1HE LYS 47 2HE LYS 47 -9.566 -4.488 6.875 463 2HE LYS 47 3HE LYS 47 -11.203 -4.885 7.372 464 1HZ LYS 47 2HZ LYS 47 -10.529 -2.400 8.497 465 2HZ LYS 47 3HZ LYS 47 -10.103 -2.353 6.850 466 3HZ LYS 47 1HZ LYS 47 -11.684 -2.735 7.289 467 QB LYS 47 QB LYS 47 -8.451 -7.004 7.541 468 QG LYS 47 QG LYS 47 -9.661 -6.596 9.476 469 QD LYS 47 QD LYS 47 -9.787 -4.300 9.506 470 QE LYS 47 QE LYS 47 -10.384 -4.687 7.124 471 QZ LYS 47 QZ LYS 47 -10.772 -2.496 7.546 472 HA PRO 48 HA PRO 48 -3.969 -8.256 6.806 473 1HB PRO 48 2HB PRO 48 -3.814 -10.430 8.513 474 2HB PRO 48 3HB PRO 48 -2.896 -8.935 8.713 475 1HG PRO 48 2HG PRO 48 -5.224 -9.921 10.267 476 2HG PRO 48 3HG PRO 48 -3.997 -8.737 10.731 477 1HD PRO 48 2HD PRO 48 -6.675 -8.198 9.825 478 2HD PRO 48 3HD PRO 48 -5.402 -7.010 10.163 479 QB PRO 48 QB PRO 48 -3.355 -9.682 8.613 480 QG PRO 48 QG PRO 48 -4.611 -9.329 10.499 481 QD PRO 48 QD PRO 48 -6.039 -7.605 9.994 482 H HIS 49 HN HIS 49 -3.872 -10.783 6.237 483 HA HIS 49 HA HIS 49 -4.887 -12.439 4.900 484 1HB HIS 49 2HB HIS 49 -6.922 -12.046 7.104 485 2HB HIS 49 3HB HIS 49 -7.198 -13.194 5.829 486 HD1 HIS 49 HD1 HIS 49 -7.225 -14.643 8.151 487 HD2 HIS 49 HD2 HIS 49 -3.516 -13.601 6.686 488 HE1 HIS 49 HE1 HIS 49 -5.572 -16.241 9.185 489 QB HIS 49 QB HIS 49 -7.060 -12.620 6.466 490 H SER 50 HN SER 50 -5.378 -9.583 4.324 491 HA SER 50 HA SER 50 -7.775 -9.897 2.587 492 1HB SER 50 2HB SER 50 -7.206 -7.431 4.287 493 2HB SER 50 3HB SER 50 -8.572 -7.635 3.178 494 HG SER 50 HG SER 50 -8.006 -9.538 5.209 495 QB SER 50 QB SER 50 -7.888 -7.532 3.733 496 H THR 51 HN THR 51 -7.815 -8.170 0.870 497 HA THR 51 HA THR 51 -5.038 -7.498 0.016 498 HB THR 51 HB THR 51 -6.578 -7.145 -2.227 499 HG1 THR 51 1HG THR 51 -8.498 -7.988 -1.854 500 1HG2 THR 51 1HG THR 51 -5.904 -9.917 -1.120 501 2HG2 THR 51 2HG THR 51 -6.157 -9.514 -2.814 502 3HG2 THR 51 3HG THR 51 -4.743 -8.899 -1.967 503 QG2 THR 51 QG2 THR 51 -5.601 -9.444 -1.967 504 H VAL 52 HN VAL 52 -4.560 -5.357 -0.597 505 HA VAL 52 HA VAL 52 -6.628 -3.312 0.086 506 HB VAL 52 HB VAL 52 -3.614 -2.909 -0.006 507 1HG1 VAL 52 3HG VAL 52 -5.891 -1.215 1.091 508 2HG1 VAL 52 1HG VAL 52 -4.181 -0.822 1.235 509 3HG1 VAL 52 2HG VAL 52 -4.939 -0.874 -0.352 510 1HG2 VAL 52 1HG VAL 52 -5.391 -3.399 2.417 511 2HG2 VAL 52 2HG VAL 52 -4.145 -4.487 1.814 512 3HG2 VAL 52 3HG VAL 52 -3.696 -2.920 2.480 513 QG1 VAL 52 QG1 VAL 52 -5.004 -0.970 0.658 514 QG2 VAL 52 QG2 VAL 52 -4.410 -3.602 2.237 515 QQG VAL 52 QQG VAL 52 -4.707 -2.286 1.447 516 H ASP 53 HN ASP 53 -7.048 -1.751 -1.405 517 HA ASP 53 HA ASP 53 -5.706 -1.990 -4.080 518 1HB ASP 53 2HB ASP 53 -8.160 -2.882 -3.723 519 2HB ASP 53 3HB ASP 53 -8.590 -1.178 -3.683 520 QB ASP 53 QB ASP 53 -8.375 -2.030 -3.702 521 H PHE 54 HN PHE 54 -4.528 -0.137 -4.342 522 HA PHE 54 HA PHE 54 -5.854 2.427 -3.633 523 1HB PHE 54 2HB PHE 54 -4.124 3.162 -2.208 524 2HB PHE 54 3HB PHE 54 -4.296 1.477 -1.769 525 HD1 PHE 54 2HD PHE 54 -2.705 -0.220 -2.856 526 HD2 PHE 54 1HD PHE 54 -2.075 3.991 -3.053 527 HE1 PHE 54 2HE PHE 54 -0.322 -0.600 -3.296 528 HE2 PHE 54 1HE PHE 54 0.311 3.612 -3.487 529 HZ PHE 54 HZ PHE 54 1.190 1.312 -3.598 530 QB PHE 54 QB PHE 54 -4.210 2.319 -1.989 531 QR PHE 54 QR PHE 54 -1.198 1.695 -3.174 532 NH1 ARG 55 NH2 ARG 55 -5.276 6.552 -9.931 533 NH2 ARG 55 NH1 ARG 55 -7.108 7.909 -9.842 534 H ARG 55 HN ARG 55 -4.245 4.311 -4.356 535 HA ARG 55 HA ARG 55 -2.895 3.488 -6.876 536 1HB ARG 55 2HB ARG 55 -4.250 5.985 -7.353 537 2HB ARG 55 3HB ARG 55 -4.383 4.475 -8.237 538 1HG ARG 55 2HG ARG 55 -6.064 3.678 -6.544 539 2HG ARG 55 3HG ARG 55 -5.980 5.265 -5.777 540 1HD ARG 55 2HD ARG 55 -6.884 4.674 -8.628 541 2HD ARG 55 3HD ARG 55 -7.882 5.272 -7.301 542 HE ARG 55 HE ARG 55 -6.422 7.351 -7.331 543 1HH1 ARG 55 2HH ARG 55 -4.685 5.894 -9.478 544 2HH1 ARG 55 1HH ARG 55 -5.084 6.838 -10.877 545 1HH2 ARG 55 2HH ARG 55 -7.916 8.227 -9.347 546 2HH2 ARG 55 1HH ARG 55 -6.907 8.264 -10.767 547 QB ARG 55 QB ARG 55 -4.316 5.230 -7.795 548 QG ARG 55 QG ARG 55 -6.022 4.471 -6.160 549 QD ARG 55 QD ARG 55 -7.383 4.974 -7.965 550 QH1 ARG 55 QH2 ARG 55 -4.885 6.366 -10.178 551 QH2 ARG 55 QH1 ARG 55 -7.412 8.245 -10.057 552 H VAL 56 HN VAL 56 -1.606 5.291 -7.807 553 HA VAL 56 HA VAL 56 -0.527 7.010 -5.595 554 HB VAL 56 HB VAL 56 1.058 6.224 -8.036 555 1HG1 VAL 56 2HG VAL 56 1.792 6.891 -5.166 556 2HG1 VAL 56 3HG VAL 56 2.951 6.529 -6.444 557 3HG1 VAL 56 1HG VAL 56 1.948 7.971 -6.543 558 1HG2 VAL 56 3HG VAL 56 0.243 4.096 -7.138 559 2HG2 VAL 56 1HG VAL 56 1.972 4.271 -6.859 560 3HG2 VAL 56 2HG VAL 56 0.830 4.534 -5.541 561 QG1 VAL 56 QG1 VAL 56 2.230 7.130 -6.051 562 QG2 VAL 56 QG2 VAL 56 1.015 4.300 -6.513 563 QQG VAL 56 QQG VAL 56 1.623 5.715 -6.282 564 H LYS 57 HN LYS 57 -2.688 7.893 -7.093 565 HA LYS 57 HA LYS 57 -2.928 9.203 -9.299 566 1HB LYS 57 2HB LYS 57 -3.584 11.353 -8.170 567 2HB LYS 57 3HB LYS 57 -4.320 9.911 -7.504 568 1HG LYS 57 2HG LYS 57 -2.656 9.917 -5.650 569 2HG LYS 57 3HG LYS 57 -1.920 11.362 -6.322 570 1HD LYS 57 2HD LYS 57 -4.177 12.512 -6.131 571 2HD LYS 57 3HD LYS 57 -4.766 11.107 -5.258 572 1HE LYS 57 2HE LYS 57 -2.416 12.846 -4.411 573 2HE LYS 57 3HE LYS 57 -4.028 12.933 -3.722 574 1HZ LYS 57 3HZ LYS 57 -3.197 10.265 -3.629 575 2HZ LYS 57 1HZ LYS 57 -1.917 11.211 -3.039 576 3HZ LYS 57 2HZ LYS 57 -3.466 11.308 -2.317 577 QB LYS 57 QB LYS 57 -3.952 10.632 -7.837 578 QG LYS 57 QG LYS 57 -2.289 10.640 -5.986 579 QD LYS 57 QD LYS 57 -4.471 11.810 -5.695 580 QE LYS 57 QE LYS 57 -3.222 12.889 -4.066 581 QZ LYS 57 QZ LYS 57 -2.860 10.928 -2.995 582 H ALA 58 HN ALA 58 -0.786 9.008 -10.285 583 HA ALA 58 HA ALA 58 1.401 9.787 -10.928 584 1HB ALA 58 3HB ALA 58 -0.294 10.847 -12.361 585 2HB ALA 58 1HB ALA 58 -0.416 12.183 -11.218 586 3HB ALA 58 2HB ALA 58 1.095 11.906 -12.091 587 QB ALA 58 QB ALA 58 0.128 11.646 -11.890 588 H GLU 59 HN GLU 59 1.304 9.833 -8.453 589 HA GLU 59 HA GLU 59 2.517 12.347 -7.413 590 1HB GLU 59 2HB GLU 59 0.909 10.156 -6.176 591 2HB GLU 59 3HB GLU 59 2.195 10.806 -5.183 592 1HG GLU 59 2HG GLU 59 1.246 13.126 -5.580 593 2HG GLU 59 3HG GLU 59 -0.077 12.376 -6.459 594 QB GLU 59 QB GLU 59 1.552 10.481 -5.679 595 QG GLU 59 QG GLU 59 0.584 12.750 -6.020 596 H ASP 60 HN ASP 60 4.406 11.784 -8.580 597 HA ASP 60 HA ASP 60 6.580 10.939 -8.831 598 1HB ASP 60 2HB ASP 60 6.434 10.180 -5.909 599 2HB ASP 60 3HB ASP 60 7.824 10.766 -6.812 600 QB ASP 60 QB ASP 60 7.129 10.474 -6.360 601 H ILE 61 HN ILE 61 4.270 9.230 -9.053 602 HA ILE 61 HA ILE 61 3.765 6.835 -8.482 603 HB ILE 61 HB ILE 61 5.104 7.549 -11.093 604 1HG1 ILE 61 2HG ILE 61 3.126 8.782 -10.827 605 2HG1 ILE 61 3HG ILE 61 2.780 7.494 -11.961 606 1HG2 ILE 61 1HG ILE 61 5.254 5.100 -10.777 607 2HG2 ILE 61 2HG ILE 61 3.524 5.025 -10.486 608 3HG2 ILE 61 3HG ILE 61 4.142 5.506 -12.063 609 1HD1 ILE 61 1HD ILE 61 1.767 6.164 -10.103 610 2HD1 ILE 61 2HD ILE 61 2.056 7.527 -9.025 611 3HD1 ILE 61 3HD ILE 61 0.944 7.693 -10.361 612 QG1 ILE 61 QG1 ILE 61 2.954 8.138 -11.394 613 QG2 ILE 61 QG2 ILE 61 4.307 5.210 -11.109 614 QD1 ILE 61 QD1 ILE 61 1.589 7.128 -9.830 615 H LEU 62 HN LEU 62 6.943 6.946 -10.014 616 HA LEU 62 HA LEU 62 7.874 4.428 -9.600 617 1HB LEU 62 2HB LEU 62 9.155 6.271 -10.639 618 2HB LEU 62 3HB LEU 62 9.463 6.949 -9.049 619 HG LEU 62 HG LEU 62 10.479 4.635 -8.460 620 1HD1 LEU 62 2HD LEU 62 9.536 3.439 -10.420 621 2HD1 LEU 62 3HD LEU 62 10.482 4.459 -11.500 622 3HD1 LEU 62 1HD LEU 62 11.291 3.342 -10.404 623 1HD2 LEU 62 1HD LEU 62 11.821 6.393 -10.549 624 2HD2 LEU 62 2HD LEU 62 11.810 6.681 -8.810 625 3HD2 LEU 62 3HD LEU 62 12.645 5.277 -9.463 626 QB LEU 62 QB LEU 62 9.309 6.610 -9.844 627 QD1 LEU 62 QD1 LEU 62 10.436 3.747 -10.775 628 QD2 LEU 62 QD2 LEU 62 12.093 6.117 -9.607 629 QQD LEU 62 QQD LEU 62 11.264 4.932 -10.192 630 H ALA 63 HN ALA 63 8.045 6.930 -7.086 631 HA ALA 63 HA ALA 63 9.496 5.459 -5.162 632 1HB ALA 63 3HB ALA 63 7.272 7.496 -4.693 633 2HB ALA 63 1HB ALA 63 8.441 6.972 -3.479 634 3HB ALA 63 2HB ALA 63 8.985 7.856 -4.901 635 QB ALA 63 QB ALA 63 8.233 7.441 -4.358 636 H VAL 64 HN VAL 64 6.159 5.062 -6.061 637 HA VAL 64 HA VAL 64 5.634 3.429 -3.651 638 HB VAL 64 HB VAL 64 3.941 4.180 -6.055 639 1HG1 VAL 64 3HG VAL 64 3.231 2.341 -3.728 640 2HG1 VAL 64 1HG VAL 64 2.102 2.921 -4.945 641 3HG1 VAL 64 2HG VAL 64 3.408 1.840 -5.408 642 1HG2 VAL 64 1HG VAL 64 3.748 4.710 -3.066 643 2HG2 VAL 64 2HG VAL 64 4.215 5.885 -4.290 644 3HG2 VAL 64 3HG VAL 64 2.576 5.249 -4.260 645 QG1 VAL 64 QG1 VAL 64 2.913 2.367 -4.694 646 QG2 VAL 64 QG2 VAL 64 3.513 5.281 -3.872 647 QQG VAL 64 QQG VAL 64 3.213 3.824 -4.283 648 H GLU 65 HN GLU 65 5.991 3.071 -7.155 649 HA GLU 65 HA GLU 65 5.659 0.251 -7.371 650 1HB GLU 65 2HB GLU 65 7.851 1.801 -8.821 651 2HB GLU 65 3HB GLU 65 6.951 0.413 -9.419 652 1HG GLU 65 2HG GLU 65 4.839 1.876 -9.270 653 2HG GLU 65 3HG GLU 65 5.902 3.243 -8.993 654 QB GLU 65 QB GLU 65 7.401 1.107 -9.120 655 QG GLU 65 QG GLU 65 5.371 2.559 -9.131 656 H ASP 66 HN ASP 66 8.336 2.265 -6.496 657 HA ASP 66 HA ASP 66 10.292 0.295 -5.773 658 1HB ASP 66 2HB ASP 66 11.077 2.581 -6.030 659 2HB ASP 66 3HB ASP 66 9.772 3.218 -5.058 660 QB ASP 66 QB ASP 66 10.425 2.899 -5.544 661 H PHE 67 HN PHE 67 8.578 2.475 -3.573 662 HA PHE 67 HA PHE 67 8.864 1.429 -1.143 663 1HB PHE 67 2HB PHE 67 7.178 3.219 -1.744 664 2HB PHE 67 3HB PHE 67 6.039 1.935 -2.141 665 HD1 PHE 67 1HD PHE 67 5.498 0.207 -0.292 666 HD2 PHE 67 2HD PHE 67 7.496 3.882 0.527 667 HE1 PHE 67 1HE PHE 67 5.122 -0.116 2.111 668 HE2 PHE 67 2HE PHE 67 7.102 3.554 2.928 669 HZ PHE 67 HZ PHE 67 5.917 1.546 3.718 670 QB PHE 67 QB PHE 67 6.608 2.577 -1.942 671 QR PHE 67 QR PHE 67 6.304 1.881 1.318 672 H LEU 68 HN LEU 68 6.564 -0.024 -3.445 673 HA LEU 68 HA LEU 68 5.940 -2.206 -1.637 674 1HB LEU 68 2HB LEU 68 5.499 -1.895 -4.636 675 2HB LEU 68 3HB LEU 68 4.872 -3.230 -3.680 676 HG LEU 68 HG LEU 68 4.279 -0.330 -3.006 677 1HD1 LEU 68 3HD LEU 68 2.630 -2.271 -4.668 678 2HD1 LEU 68 1HD LEU 68 2.095 -0.682 -4.128 679 3HD1 LEU 68 2HD LEU 68 3.420 -0.821 -5.274 680 1HD2 LEU 68 1HD LEU 68 2.945 -2.973 -2.268 681 2HD2 LEU 68 2HD LEU 68 3.933 -1.983 -1.199 682 3HD2 LEU 68 3HD LEU 68 2.388 -1.378 -1.772 683 QB LEU 68 QB LEU 68 5.185 -2.563 -4.158 684 QD1 LEU 68 QD1 LEU 68 2.715 -1.257 -4.690 685 QD2 LEU 68 QD2 LEU 68 3.088 -2.111 -1.746 686 QQD LEU 68 QQD LEU 68 2.901 -1.684 -3.218 687 H GLU 69 HN GLU 69 7.522 -2.273 -4.816 688 HA GLU 69 HA GLU 69 8.606 -4.843 -4.737 689 1HB GLU 69 2HB GLU 69 9.411 -2.251 -6.022 690 2HB GLU 69 3HB GLU 69 10.532 -3.584 -6.140 691 1HG GLU 69 2HG GLU 69 8.690 -5.014 -7.078 692 2HG GLU 69 3HG GLU 69 7.593 -3.648 -6.931 693 QB GLU 69 QB GLU 69 9.971 -2.917 -6.081 694 QG GLU 69 QG GLU 69 8.141 -4.332 -7.004 695 H GLN 70 HN GLN 70 10.346 -1.930 -3.903 696 HA GLN 70 HA GLN 70 12.717 -2.711 -2.908 697 1HB GLN 70 2HB GLN 70 11.821 -0.392 -2.811 698 2HB GLN 70 3HB GLN 70 10.839 -0.841 -1.422 699 1HG GLN 70 2HG GLN 70 12.899 -1.406 -0.152 700 2HG GLN 70 3HG GLN 70 13.877 -0.968 -1.545 701 1HE2 GLN 70 2HE GLN 70 12.296 2.526 -0.860 702 2HE2 GLN 70 1HE GLN 70 11.793 1.378 -1.999 703 QB GLN 70 QB GLN 70 11.330 -0.617 -2.117 704 QG GLN 70 QG GLN 70 13.388 -1.187 -0.849 705 QE2 GLN 70 QE2 GLN 70 12.045 1.952 -1.429 706 H ASN 71 HN ASN 71 9.690 -3.108 -1.033 707 HA ASN 71 HA ASN 71 11.264 -4.798 0.872 708 1HB ASN 71 2HB ASN 71 8.699 -3.280 1.414 709 2HB ASN 71 3HB ASN 71 9.791 -3.992 2.574 710 1HD2 ASN 71 2HD ASN 71 10.480 -0.286 1.183 711 2HD2 ASN 71 1HD ASN 71 9.111 -1.174 0.728 712 QB ASN 71 QB ASN 71 9.245 -3.636 1.994 713 QD2 ASN 71 QD2 ASN 71 9.796 -0.729 0.955 714 H GLU 72 HN GLU 72 10.224 -5.911 -1.457 715 HA GLU 72 HA GLU 72 8.533 -7.357 -2.320 716 1HB GLU 72 2HB GLU 72 10.378 -8.616 -0.944 717 2HB GLU 72 3HB GLU 72 9.097 -8.872 0.232 718 1HG GLU 72 2HG GLU 72 7.678 -9.804 -1.683 719 2HG GLU 72 3HG GLU 72 9.135 -9.770 -2.672 720 QB GLU 72 QB GLU 72 9.738 -8.744 -0.356 721 QG GLU 72 QG GLU 72 8.406 -9.787 -2.177 722 H LEU 73 HN LEU 73 7.065 -5.421 -1.359 723 HA LEU 73 HA LEU 73 5.202 -6.348 0.711 724 1HB LEU 73 2HB LEU 73 5.946 -3.873 -0.532 725 2HB LEU 73 3HB LEU 73 4.229 -4.084 -0.804 726 HG LEU 73 HG LEU 73 3.888 -4.427 1.615 727 1HD1 LEU 73 3HD LEU 73 6.118 -5.394 2.146 728 2HD1 LEU 73 1HD LEU 73 6.857 -3.834 1.832 729 3HD1 LEU 73 2HD LEU 73 5.751 -4.032 3.174 730 1HD2 LEU 73 1HD LEU 73 5.478 -1.942 0.906 731 2HD2 LEU 73 2HD LEU 73 3.732 -2.142 0.752 732 3HD2 LEU 73 3HD LEU 73 4.477 -2.116 2.343 733 QB LEU 73 QB LEU 73 5.088 -3.979 -0.668 734 QD1 LEU 73 QD1 LEU 73 6.242 -4.421 2.384 735 QD2 LEU 73 QD2 LEU 73 4.563 -2.066 1.334 736 QQD LEU 73 QQD LEU 73 5.402 -3.243 1.859 737 H GLN 74 HN GLN 74 5.060 -8.296 -0.703 738 HA GLN 74 HA GLN 74 4.082 -9.210 -2.853 739 1HB GLN 74 2HB GLN 74 2.060 -9.390 -0.594 740 2HB GLN 74 3HB GLN 74 2.290 -10.527 -1.906 741 1HG GLN 74 2HG GLN 74 3.479 -11.600 -0.214 742 2HG GLN 74 3HG GLN 74 4.770 -10.677 -0.968 743 1HE2 GLN 74 2HE GLN 74 3.714 -8.312 2.031 744 2HE2 GLN 74 1HE GLN 74 2.922 -8.353 0.530 745 QB GLN 74 QB GLN 74 2.175 -9.959 -1.251 746 QG GLN 74 QG GLN 74 4.125 -11.138 -0.591 747 QE2 GLN 74 QE2 GLN 74 3.319 -8.333 1.281 748 OH TYR 75 OH TYR 75 6.329 -5.083 -8.663 749 H TYR 75 HN TYR 75 3.668 -7.301 -4.178 750 HA TYR 75 HA TYR 75 0.772 -6.521 -4.155 751 1HB TYR 75 2HB TYR 75 1.391 -4.381 -5.041 752 2HB TYR 75 3HB TYR 75 2.569 -4.693 -3.772 753 HD1 TYR 75 HD1 TYR 75 4.887 -5.424 -4.377 754 HD2 TYR 75 HD2 TYR 75 2.057 -4.381 -7.392 755 HE1 TYR 75 HE1 TYR 75 6.652 -5.498 -6.077 756 HE2 TYR 75 HE2 TYR 75 3.837 -4.425 -9.072 757 HH TYR 75 HH TYR 75 6.858 -4.263 -8.649 758 QB TYR 75 QB TYR 75 1.980 -4.537 -4.407 759 QR TYR 75 QR TYR 75 4.358 -4.932 -6.730 760 H GLU 76 HN GLU 76 0.115 -5.724 -6.383 761 HA GLU 76 HA GLU 76 1.345 -6.907 -8.724 762 1HB GLU 76 2HB GLU 76 -0.739 -8.352 -9.214 763 2HB GLU 76 3HB GLU 76 0.393 -8.970 -8.016 764 1HG GLU 76 2HG GLU 76 -1.161 -8.877 -6.385 765 2HG GLU 76 3HG GLU 76 -1.571 -7.209 -6.766 766 QB GLU 76 QB GLU 76 -0.173 -8.662 -8.616 767 QG GLU 76 QG GLU 76 -1.366 -8.042 -6.575 768 H VAL 77 HN VAL 77 -0.371 -6.592 -10.635 769 HA VAL 77 HA VAL 77 -1.725 -3.979 -10.073 770 HB VAL 77 HB VAL 77 -0.730 -4.862 -12.793 771 1HG1 VAL 77 2HG VAL 77 -1.247 -2.139 -11.532 772 2HG1 VAL 77 3HG VAL 77 -0.656 -2.404 -13.172 773 3HG1 VAL 77 1HG VAL 77 -2.271 -2.934 -12.723 774 1HG2 VAL 77 2HG VAL 77 0.831 -3.327 -10.680 775 2HG2 VAL 77 3HG VAL 77 1.203 -4.953 -11.241 776 3HG2 VAL 77 1HG VAL 77 1.348 -3.589 -12.340 777 QG1 VAL 77 QG1 VAL 77 -1.391 -2.492 -12.476 778 QG2 VAL 77 QG2 VAL 77 1.127 -3.956 -11.420 779 QQG VAL 77 QQG VAL 77 -0.132 -3.224 -11.948 780 H LEU 78 HN LEU 78 -3.300 -6.153 -9.572 781 HA LEU 78 HA LEU 78 -5.262 -7.279 -10.269 782 1HB LEU 78 2HB LEU 78 -5.614 -4.459 -11.325 783 2HB LEU 78 3HB LEU 78 -6.910 -5.643 -11.336 784 HG LEU 78 HG LEU 78 -5.744 -5.676 -8.712 785 1HD1 LEU 78 1HD LEU 78 -4.875 -3.418 -9.242 786 2HD1 LEU 78 2HD LEU 78 -6.502 -2.894 -9.685 787 3HD1 LEU 78 3HD LEU 78 -6.141 -3.344 -8.019 788 1HD2 LEU 78 2HD LEU 78 -8.389 -4.563 -9.735 789 2HD2 LEU 78 3HD LEU 78 -8.092 -6.241 -9.284 790 3HD2 LEU 78 1HD LEU 78 -8.034 -4.975 -8.060 791 QB LEU 78 QB LEU 78 -6.262 -5.051 -11.331 792 QD1 LEU 78 QD1 LEU 78 -5.839 -3.218 -8.982 793 QD2 LEU 78 QD2 LEU 78 -8.172 -5.260 -9.027 794 QQD LEU 78 QQD LEU 78 -7.005 -4.240 -9.004 795 H ILE 79 HN ILE 79 -3.427 -8.204 -11.893 796 HA ILE 79 HA ILE 79 -4.485 -7.997 -14.662 797 HB ILE 79 HB ILE 79 -2.225 -9.284 -15.023 798 1HG1 ILE 79 2HG ILE 79 -0.466 -8.770 -13.405 799 2HG1 ILE 79 3HG ILE 79 -1.615 -7.938 -12.378 800 1HG2 ILE 79 3HG ILE 79 -2.309 -6.364 -14.212 801 2HG2 ILE 79 1HG ILE 79 -1.024 -7.106 -15.157 802 3HG2 ILE 79 2HG ILE 79 -2.651 -7.000 -15.817 803 1HD1 ILE 79 3HD ILE 79 -1.774 -10.892 -13.102 804 2HD1 ILE 79 1HD ILE 79 -1.122 -10.265 -11.592 805 3HD1 ILE 79 2HD ILE 79 -2.822 -10.046 -11.966 806 QG1 ILE 79 QG1 ILE 79 -1.041 -8.354 -12.891 807 QG2 ILE 79 QG2 ILE 79 -1.995 -6.824 -15.062 808 QD1 ILE 79 QD1 ILE 79 -1.906 -10.401 -12.220 809 H ASN 80 HN ASN 80 -5.534 -9.383 -12.338 810 HA ASN 80 HA ASN 80 -5.856 -12.090 -13.472 811 1HB ASN 80 2HB ASN 80 -5.631 -12.961 -11.049 812 2HB ASN 80 3HB ASN 80 -4.135 -12.497 -11.849 813 1HD2 ASN 80 2HD ASN 80 -4.076 -10.909 -8.485 814 2HD2 ASN 80 1HD ASN 80 -4.115 -12.506 -9.067 815 QB ASN 80 QB ASN 80 -4.883 -12.728 -11.448 816 QD2 ASN 80 QD2 ASN 80 -4.096 -11.708 -8.776 817 H ASN 81 HN ASN 81 -6.726 -10.260 -10.584 818 HA ASN 81 HA ASN 81 -9.346 -9.557 -11.025 819 1HB ASN 81 2HB ASN 81 -9.726 -12.098 -11.341 820 2HB ASN 81 3HB ASN 81 -9.348 -12.272 -9.635 821 1HD2 ASN 81 ASN 81 -12.366 -9.870 -9.235 822 2HD2 ASN 81 1HD ASN 81 -10.710 -9.480 -9.230 823 QB ASN 81 QB ASN 81 -9.536 -12.185 -10.488 824 QD2 ASN 81 QD2 ASN 81 -11.538 -9.675 -9.232
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