NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10439 | 1pra | 2539 | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 740 H/Q atoms Start of MODEL 1 1 H SER 1 HN SER 1 -4.377 11.626 5.135 2 HA SER 1 HA SER 1 -4.466 12.040 2.355 3 1HB SER 1 2HB SER 1 -1.949 10.966 3.635 4 2HB SER 1 3HB SER 1 -2.188 12.457 2.698 5 HG SER 1 HG SER 1 -1.921 13.056 4.850 6 QB SER 1 QB SER 1 -2.068 11.711 3.167 7 H ILE 2 HN ILE 2 -3.107 10.554 0.787 8 HA ILE 2 HA ILE 2 -4.088 7.972 0.570 9 HB ILE 2 HB ILE 2 -3.193 8.986 -1.326 10 1HG1 ILE 2 2HG1 ILE 2 -1.445 7.387 -2.150 11 2HG1 ILE 2 3HG1 ILE 2 -1.319 6.710 -0.536 12 1HG2 ILE 2 1HG2 ILE 2 -1.128 10.072 0.284 13 2HG2 ILE 2 2HG2 ILE 2 -0.318 8.989 -0.847 14 3HG2 ILE 2 3HG2 ILE 2 -1.383 10.264 -1.452 15 1HD1 ILE 2 3HD1 ILE 2 -3.987 6.355 -0.889 16 2HD1 ILE 2 1HD1 ILE 2 -3.491 6.474 -2.587 17 3HD1 ILE 2 2HD1 ILE 2 -2.789 5.232 -1.540 18 QG1 ILE 2 QG1 ILE 2 -1.382 7.049 -1.343 19 QG2 ILE 2 QG2 ILE 2 -0.943 9.775 -0.672 20 QD1 ILE 2 QD1 ILE 2 -3.422 6.020 -1.672 21 H SER 3 HN SER 3 -0.704 8.697 1.735 22 HA SER 3 HA SER 3 -0.227 6.040 2.378 23 1HB SER 3 2HB SER 3 1.455 7.800 2.287 24 2HB SER 3 3HB SER 3 0.939 8.437 3.865 25 HG SER 3 HG SER 3 1.763 5.745 3.383 26 QB SER 3 QB SER 3 1.197 8.119 3.076 27 H SER 4 HN SER 4 -1.883 8.492 4.344 28 HA SER 4 HA SER 4 -1.915 7.077 6.793 29 1HB SER 4 2HB SER 4 -2.754 9.464 6.394 30 2HB SER 4 3HB SER 4 -4.269 8.710 5.803 31 HG SER 4 HG SER 4 -4.385 9.138 8.047 32 QB SER 4 QB SER 4 -3.512 9.087 6.098 33 NH1 ARG 5 NH2 ARG 5 -7.180 9.682 1.254 34 NH2 ARG 5 NH1 ARG 5 -6.467 9.426 -0.938 35 H ARG 5 HN ARG 5 -4.005 6.765 3.867 36 HA ARG 5 HA ARG 5 -5.863 4.956 5.127 37 1HB ARG 5 2HB ARG 5 -5.401 4.771 2.166 38 2HB ARG 5 3HB ARG 5 -6.870 4.694 3.138 39 1HG ARG 5 2HG ARG 5 -6.577 7.193 3.596 40 2HG ARG 5 3HG ARG 5 -5.308 7.115 2.350 41 1HD ARG 5 2HD ARG 5 -7.551 5.824 1.227 42 2HD ARG 5 3HD ARG 5 -8.190 7.272 1.969 43 HE ARG 5 HE ARG 5 -6.438 6.994 -0.359 44 1HH1 ARG 5 2HH2 ARG 5 -7.481 9.239 2.109 45 2HH1 ARG 5 1HH2 ARG 5 -7.367 10.662 1.111 46 1HH2 ARG 5 2HH1 ARG 5 -6.364 8.828 -1.749 47 2HH2 ARG 5 1HH1 ARG 5 -6.521 10.419 -1.105 48 QB ARG 5 QB ARG 5 -6.135 4.733 2.652 49 QG ARG 5 QG ARG 5 -5.943 7.154 2.973 50 QD ARG 5 QD ARG 5 -7.871 6.548 1.598 51 QH1 ARG 5 QH2 ARG 5 -7.424 9.950 1.610 52 QH2 ARG 5 QH1 ARG 5 -6.442 9.624 -1.427 53 H VAL 6 HN VAL 6 -3.060 4.416 2.933 54 HA VAL 6 HA VAL 6 -3.163 1.582 2.972 55 HB VAL 6 HB VAL 6 -0.826 3.492 2.566 56 1HG1 VAL 6 1HG1 VAL 6 -0.977 0.478 2.084 57 2HG1 VAL 6 2HG1 VAL 6 0.298 1.547 1.460 58 3HG1 VAL 6 3HG1 VAL 6 0.103 1.340 3.200 59 1HG2 VAL 6 3HG2 VAL 6 -2.578 1.933 0.625 60 2HG2 VAL 6 1HG2 VAL 6 -2.597 3.695 0.860 61 3HG2 VAL 6 2HG2 VAL 6 -1.168 2.910 0.173 62 QG1 VAL 6 QG1 VAL 6 -0.192 1.122 2.248 63 QG2 VAL 6 QG2 VAL 6 -2.114 2.846 0.553 64 QQG VAL 6 QQG VAL 6 -1.153 1.984 1.400 65 H LYS 7 HN LYS 7 -1.084 3.750 4.938 66 HA LYS 7 HA LYS 7 0.043 1.717 6.490 67 1HB LYS 7 2HB LYS 7 0.910 4.011 6.179 68 2HB LYS 7 3HB LYS 7 -0.303 4.641 7.291 69 1HG LYS 7 2HG LYS 7 1.408 2.331 8.217 70 2HG LYS 7 3HG LYS 7 2.217 3.886 8.001 71 1HD LYS 7 2HD LYS 7 -0.365 3.941 9.531 72 2HD LYS 7 3HD LYS 7 0.947 3.080 10.314 73 1HE LYS 7 2HE LYS 7 1.256 5.917 9.224 74 2HE LYS 7 3HE LYS 7 0.707 5.566 10.869 75 1HZ LYS 7 1HZ LYS 7 2.760 4.431 11.296 76 2HZ LYS 7 2HZ LYS 7 3.309 4.724 9.772 77 3HZ LYS 7 3HZ LYS 7 3.053 5.970 10.809 78 QB LYS 7 QB LYS 7 0.303 4.326 6.735 79 QG LYS 7 QG LYS 7 1.813 3.109 8.109 80 QD LYS 7 QD LYS 7 0.291 3.511 9.923 81 QE LYS 7 QE LYS 7 0.982 5.741 10.047 82 QZ LYS 7 QZ LYS 7 3.041 5.042 10.626 83 H SER 8 HN SER 8 -2.750 3.854 7.288 84 HA SER 8 HA SER 8 -3.376 2.805 9.829 85 1HB SER 8 2HB SER 8 -4.493 4.803 8.879 86 2HB SER 8 3HB SER 8 -5.292 3.777 7.663 87 HG SER 8 HG SER 8 -5.627 3.614 10.480 88 QB SER 8 QB SER 8 -4.892 4.290 8.271 89 H LYS 9 HN LYS 9 -4.401 1.650 6.522 90 HA LYS 9 HA LYS 9 -6.045 -0.405 7.605 91 1HB LYS 9 2HB LYS 9 -6.021 0.604 5.209 92 2HB LYS 9 3HB LYS 9 -4.660 -0.479 4.923 93 1HG LYS 9 2HG LYS 9 -6.522 -1.808 4.266 94 2HG LYS 9 3HG LYS 9 -6.339 -2.293 5.961 95 1HD LYS 9 2HD LYS 9 -8.026 -0.188 6.291 96 2HD LYS 9 3HD LYS 9 -8.383 -0.565 4.597 97 1HE LYS 9 2HE LYS 9 -8.567 -3.078 5.532 98 2HE LYS 9 3HE LYS 9 -8.739 -2.264 7.096 99 1HZ LYS 9 1HZ LYS 9 -10.616 -1.033 6.042 100 2HZ LYS 9 2HZ LYS 9 -10.479 -2.025 4.732 101 3HZ LYS 9 3HZ LYS 9 -10.864 -2.653 6.197 102 QB LYS 9 QB LYS 9 -5.340 0.062 5.066 103 QG LYS 9 QG LYS 9 -6.431 -2.051 5.114 104 QD LYS 9 QD LYS 9 -8.204 -0.376 5.444 105 QE LYS 9 QE LYS 9 -8.653 -2.671 6.314 106 QZ LYS 9 QZ LYS 9 -10.653 -1.904 5.657 107 NH1 ARG 10 NH2 ARG 10 1.999 -0.278 4.064 108 NH2 ARG 10 NH1 ARG 10 2.610 1.491 5.359 109 H ARG 10 HN ARG 10 -2.606 -0.244 6.634 110 HA ARG 10 HA ARG 10 -1.874 -2.921 6.986 111 1HB ARG 10 2HB ARG 10 -0.518 -0.517 6.494 112 2HB ARG 10 3HB ARG 10 0.130 -1.020 8.055 113 1HG ARG 10 2HG ARG 10 0.408 -3.359 6.873 114 2HG ARG 10 3HG ARG 10 0.192 -2.426 5.391 115 1HD ARG 10 2HD ARG 10 2.335 -2.303 7.483 116 2HD ARG 10 3HD ARG 10 2.552 -2.589 5.748 117 HE ARG 10 HE ARG 10 2.791 -0.192 7.184 118 1HH1 ARG 10 2HH2 ARG 10 1.772 -1.252 3.931 119 2HH1 ARG 10 1HH2 ARG 10 2.075 0.377 3.276 120 1HH2 ARG 10 2HH1 ARG 10 2.781 1.960 6.229 121 2HH2 ARG 10 1HH1 ARG 10 2.613 2.024 4.483 122 QB ARG 10 QB ARG 10 -0.194 -0.768 7.275 123 QG ARG 10 QG ARG 10 0.300 -2.893 6.132 124 QD ARG 10 QD ARG 10 2.443 -2.446 6.615 125 QH1 ARG 10 QH2 ARG 10 1.924 -0.438 3.603 126 QH2 ARG 10 QH1 ARG 10 2.697 1.992 5.356 127 H ILE 11 HN ILE 11 -1.996 -0.288 9.379 128 HA ILE 11 HA ILE 11 -1.157 -1.780 11.652 129 HB ILE 11 HB ILE 11 -2.988 0.629 11.598 130 1HG1 ILE 11 2HG1 ILE 11 -1.082 1.524 10.642 131 2HG1 ILE 11 3HG1 ILE 11 -0.758 1.705 12.341 132 1HG2 ILE 11 1HG2 ILE 11 -3.027 -0.590 13.759 133 2HG2 ILE 11 2HG2 ILE 11 -1.256 -0.492 13.833 134 3HG2 ILE 11 3HG2 ILE 11 -2.246 0.982 13.893 135 1HD1 ILE 11 1HD1 ILE 11 0.662 -0.374 12.279 136 2HD1 ILE 11 2HD1 ILE 11 0.458 -0.395 10.510 137 3HD1 ILE 11 3HD1 ILE 11 1.268 0.963 11.291 138 QG1 ILE 11 QG1 ILE 11 -0.920 1.614 11.491 139 QG2 ILE 11 QG2 ILE 11 -2.176 -0.033 13.828 140 QD1 ILE 11 QD1 ILE 11 0.796 0.065 11.360 141 H GLN 12 HN GLN 12 -4.480 -1.008 10.504 142 HA GLN 12 HA GLN 12 -5.853 -2.586 12.430 143 1HB GLN 12 2HB GLN 12 -6.548 -1.791 9.576 144 2HB GLN 12 3HB GLN 12 -7.658 -2.722 10.585 145 1HG GLN 12 2HG GLN 12 -6.485 -0.061 11.492 146 2HG GLN 12 3HG GLN 12 -7.997 -0.186 10.588 147 1HE2 GLN 12 2HE2 GLN 12 -9.850 -1.653 13.301 148 2HE2 GLN 12 1HE2 GLN 12 -9.756 -1.603 11.551 149 QB GLN 12 QB GLN 12 -7.103 -2.256 10.081 150 QG GLN 12 QG GLN 12 -7.241 -0.124 11.040 151 QE2 GLN 12 QE2 GLN 12 -9.803 -1.628 12.426 152 H LEU 13 HN LEU 13 -4.481 -3.580 9.294 153 HA LEU 13 HA LEU 13 -5.260 -6.359 9.465 154 1HB LEU 13 2HB LEU 13 -3.476 -4.632 7.791 155 2HB LEU 13 3HB LEU 13 -2.932 -6.278 7.940 156 HG LEU 13 HG LEU 13 -4.421 -5.674 5.968 157 1HD1 LEU 13 1HD1 LEU 13 -4.661 -8.087 7.733 158 2HD1 LEU 13 2HD1 LEU 13 -5.670 -7.959 6.273 159 3HD1 LEU 13 3HD1 LEU 13 -3.903 -7.889 6.141 160 1HD2 LEU 13 1HD2 LEU 13 -6.200 -4.513 7.367 161 2HD2 LEU 13 2HD2 LEU 13 -6.768 -5.683 6.162 162 3HD2 LEU 13 3HD2 LEU 13 -6.742 -6.130 7.870 163 QB LEU 13 QB LEU 13 -3.204 -5.455 7.865 164 QD1 LEU 13 QD1 LEU 13 -4.745 -7.978 6.716 165 QD2 LEU 13 QD2 LEU 13 -6.570 -5.442 7.133 166 QQD LEU 13 QQD LEU 13 -5.657 -6.710 6.924 167 H GLY 14 HN GLY 14 -2.861 -4.535 11.162 168 1HA GLY 14 1HA GLY 14 -1.446 -5.167 12.832 169 2HA GLY 14 2HA GLY 14 -2.105 -6.811 12.760 170 QA GLY 14 QA GLY 14 -1.776 -5.989 12.796 171 H LEU 15 HN LEU 15 -0.715 -5.053 9.983 172 HA LEU 15 HA LEU 15 1.634 -6.927 9.996 173 1HB LEU 15 2HB LEU 15 0.182 -5.835 7.561 174 2HB LEU 15 3HB LEU 15 1.587 -6.909 7.579 175 HG LEU 15 HG LEU 15 -1.237 -7.602 8.480 176 1HD1 LEU 15 1HD1 LEU 15 -0.849 -7.462 6.037 177 2HD1 LEU 15 2HD1 LEU 15 0.526 -8.577 6.198 178 3HD1 LEU 15 3HD1 LEU 15 -1.129 -9.134 6.552 179 1HD2 LEU 15 1HD2 LEU 15 1.355 -9.123 8.785 180 2HD2 LEU 15 2HD2 LEU 15 0.026 -8.925 9.942 181 3HD2 LEU 15 3HD2 LEU 15 -0.172 -9.988 8.549 182 QB LEU 15 QB LEU 15 0.885 -6.372 7.570 183 QD1 LEU 15 QD1 LEU 15 -0.484 -8.391 6.262 184 QD2 LEU 15 QD2 LEU 15 0.403 -9.345 9.092 185 QQD LEU 15 QQD LEU 15 -0.041 -8.868 7.677 186 H ASN 16 HN ASN 16 3.436 -6.072 8.779 187 HA ASN 16 HA ASN 16 3.720 -3.100 9.156 188 1HB ASN 16 2HB ASN 16 5.976 -3.374 9.681 189 2HB ASN 16 3HB ASN 16 5.109 -4.554 10.671 190 1HD2 ASN 16 2HD2 ASN 16 6.479 -7.369 8.858 191 2HD2 ASN 16 1HD2 ASN 16 5.000 -6.910 9.614 192 QB ASN 16 QB ASN 16 5.542 -3.964 10.176 193 QD2 ASN 16 QD2 ASN 16 5.740 -7.140 9.236 194 H GLN 17 HN GLN 17 5.612 -2.298 7.828 195 HA GLN 17 HA GLN 17 4.743 -2.254 5.101 196 1HB GLN 17 2HB GLN 17 6.964 -1.019 6.692 197 2HB GLN 17 3HB GLN 17 7.172 -1.167 4.939 198 1HG GLN 17 2HG GLN 17 4.906 0.004 4.737 199 2HG GLN 17 3HG GLN 17 5.127 0.448 6.444 200 1HE2 GLN 17 2HE2 GLN 17 7.248 3.145 5.414 201 2HE2 GLN 17 1HE2 GLN 17 6.002 2.609 6.517 202 QB GLN 17 QB GLN 17 7.068 -1.093 5.815 203 QG GLN 17 QG GLN 17 5.016 0.226 5.590 204 QE2 GLN 17 QE2 GLN 17 6.625 2.877 5.965 205 H ALA 18 HN ALA 18 7.408 -4.076 6.709 206 HA ALA 18 HA ALA 18 8.577 -4.935 4.233 207 1HB ALA 18 1HB ALA 18 9.631 -4.901 6.604 208 2HB ALA 18 2HB ALA 18 8.805 -6.450 6.851 209 3HB ALA 18 3HB ALA 18 9.987 -6.274 5.545 210 QB ALA 18 QB ALA 18 9.474 -5.875 6.333 211 H GLU 19 HN GLU 19 6.345 -6.525 6.576 212 HA GLU 19 HA GLU 19 5.892 -8.925 5.125 213 1HB GLU 19 2HB GLU 19 4.241 -7.280 7.057 214 2HB GLU 19 3HB GLU 19 3.494 -8.633 6.212 215 1HG GLU 19 2HG GLU 19 5.054 -10.222 7.067 216 2HG GLU 19 3HG GLU 19 6.022 -8.982 7.858 217 QB GLU 19 QB GLU 19 3.868 -7.956 6.634 218 QG GLU 19 QG GLU 19 5.538 -9.602 7.463 219 H LEU 20 HN LEU 20 4.137 -5.776 4.992 220 HA LEU 20 HA LEU 20 2.354 -6.530 2.937 221 1HB LEU 20 2HB LEU 20 2.108 -4.467 4.245 222 2HB LEU 20 3HB LEU 20 3.548 -3.801 3.463 223 HG LEU 20 HG LEU 20 1.960 -4.658 1.296 224 1HD1 LEU 20 3HD1 LEU 20 0.054 -5.104 2.784 225 2HD1 LEU 20 1HD1 LEU 20 0.072 -3.401 3.286 226 3HD1 LEU 20 2HD1 LEU 20 -0.236 -3.825 1.586 227 1HD2 LEU 20 2HD2 LEU 20 3.174 -2.338 1.901 228 2HD2 LEU 20 3HD2 LEU 20 2.034 -2.568 0.592 229 3HD2 LEU 20 1HD2 LEU 20 1.466 -1.859 2.091 230 QB LEU 20 QB LEU 20 2.828 -4.134 3.854 231 QD1 LEU 20 QD1 LEU 20 -0.037 -4.110 2.552 232 QD2 LEU 20 QD2 LEU 20 2.225 -2.255 1.528 233 QQD LEU 20 QQD LEU 20 1.094 -3.183 2.040 234 H ALA 21 HN ALA 21 5.656 -5.030 2.657 235 HA ALA 21 HA ALA 21 5.812 -4.933 -0.119 236 1HB ALA 21 3HB ALA 21 7.547 -4.120 1.537 237 2HB ALA 21 1HB ALA 21 8.142 -5.783 1.649 238 3HB ALA 21 2HB ALA 21 8.162 -4.950 0.093 239 QB ALA 21 QB ALA 21 7.950 -4.951 1.093 240 H GLN 22 HN GLN 22 6.582 -7.739 2.009 241 HA GLN 22 HA GLN 22 7.276 -9.473 -0.169 242 1HB GLN 22 2HB GLN 22 6.305 -10.171 2.636 243 2HB GLN 22 3HB GLN 22 6.997 -11.290 1.452 244 1HG GLN 22 2HG GLN 22 8.889 -9.236 1.492 245 2HG GLN 22 3HG GLN 22 8.362 -9.297 3.174 246 1HE2 GLN 22 2HE2 GLN 22 9.870 -12.499 3.754 247 2HE2 GLN 22 1HE2 GLN 22 8.706 -11.337 4.372 248 QB GLN 22 QB GLN 22 6.651 -10.730 2.044 249 QG GLN 22 QG GLN 22 8.625 -9.267 2.333 250 QE2 GLN 22 QE2 GLN 22 9.288 -11.918 4.063 251 H LYS 23 HN LYS 23 4.157 -8.933 1.509 252 HA LYS 23 HA LYS 23 2.651 -10.938 0.125 253 1HB LYS 23 2HB LYS 23 1.863 -8.292 1.383 254 2HB LYS 23 3HB LYS 23 0.701 -9.457 0.788 255 1HG LYS 23 2HG LYS 23 2.759 -10.557 2.699 256 2HG LYS 23 3HG LYS 23 1.718 -9.301 3.344 257 1HD LYS 23 2HD LYS 23 -0.187 -10.859 2.137 258 2HD LYS 23 3HD LYS 23 1.034 -12.096 2.477 259 1HE LYS 23 2HE LYS 23 0.997 -11.474 4.880 260 2HE LYS 23 3HE LYS 23 -0.045 -10.085 4.517 261 1HZ LYS 23 3HZ LYS 23 -1.776 -11.555 3.861 262 2HZ LYS 23 1HZ LYS 23 -0.856 -12.882 4.196 263 3HZ LYS 23 2HZ LYS 23 -1.309 -11.861 5.405 264 QB LYS 23 QB LYS 23 1.282 -8.875 1.085 265 QG LYS 23 QG LYS 23 2.238 -9.929 3.021 266 QD LYS 23 QD LYS 23 0.424 -11.477 2.307 267 QE LYS 23 QE LYS 23 0.476 -10.779 4.698 268 QZ LYS 23 QZ LYS 23 -1.314 -12.099 4.487 269 H VAL 24 HN VAL 24 3.404 -7.571 -0.635 270 HA VAL 24 HA VAL 24 1.863 -7.412 -3.075 271 HB VAL 24 HB VAL 24 4.132 -5.782 -1.867 272 1HG1 VAL 24 2HG1 VAL 24 4.001 -5.496 -4.433 273 2HG1 VAL 24 3HG1 VAL 24 2.356 -4.894 -4.139 274 3HG1 VAL 24 1HG1 VAL 24 3.742 -4.038 -3.462 275 1HG2 VAL 24 2HG2 VAL 24 1.865 -5.761 -0.704 276 2HG2 VAL 24 3HG2 VAL 24 2.367 -4.183 -1.337 277 3HG2 VAL 24 1HG2 VAL 24 1.166 -5.165 -2.199 278 QG1 VAL 24 QG1 VAL 24 3.366 -4.809 -4.011 279 QG2 VAL 24 QG2 VAL 24 1.799 -5.036 -1.413 280 QQG VAL 24 QQG VAL 24 2.583 -4.923 -2.712 281 H GLY 25 HN GLY 25 5.209 -8.311 -2.211 282 1HA GLY 25 1HA GLY 25 6.580 -9.784 -3.407 283 2HA GLY 25 2HA GLY 25 5.596 -9.593 -4.866 284 QA GLY 25 QA GLY 25 6.088 -9.688 -4.137 285 H THR 26 HN THR 26 6.993 -7.156 -2.667 286 HA THR 26 HA THR 26 9.008 -6.320 -4.643 287 HB THR 26 HB THR 26 7.004 -4.937 -5.118 288 HG1 THR 26 1HG THR 26 8.137 -2.966 -4.950 289 1HG2 THR 26 1HG2 THR 26 6.045 -4.888 -2.803 290 2HG2 THR 26 2HG2 THR 26 7.348 -3.803 -2.296 291 3HG2 THR 26 3HG2 THR 26 6.197 -3.283 -3.538 292 QG2 THR 26 QG2 THR 26 6.530 -3.991 -2.879 293 H THR 27 HN THR 27 9.709 -4.043 -3.169 294 HA THR 27 HA THR 27 11.002 -5.305 -0.779 295 HB THR 27 HB THR 27 12.781 -3.589 -1.284 296 HG1 THR 27 1HG THR 27 12.557 -2.739 -3.506 297 1HG2 THR 27 1HG2 THR 27 12.907 -5.941 -2.138 298 2HG2 THR 27 2HG2 THR 27 12.089 -5.439 -3.627 299 3HG2 THR 27 3HG2 THR 27 13.688 -4.785 -3.230 300 QG2 THR 27 QG2 THR 27 12.895 -5.388 -2.998 301 H GLN 28 HN GLN 28 11.052 -4.174 1.173 302 HA GLN 28 HA GLN 28 8.978 -2.493 1.910 303 1HB GLN 28 2HB GLN 28 10.479 -3.649 3.497 304 2HB GLN 28 3HB GLN 28 11.790 -2.518 3.102 305 1HG GLN 28 2HG GLN 28 10.462 -0.624 3.963 306 2HG GLN 28 3HG GLN 28 9.052 -1.674 4.107 307 1HE2 GLN 28 2HE2 GLN 28 12.061 -2.030 6.914 308 2HE2 GLN 28 1HE2 GLN 28 12.468 -1.508 5.290 309 QB GLN 28 QB GLN 28 11.135 -3.084 3.299 310 QG GLN 28 QG GLN 28 9.757 -1.149 4.035 311 QE2 GLN 28 QE2 GLN 28 12.264 -1.769 6.102 312 H GLN 29 HN GLN 29 12.143 -1.569 0.620 313 HA GLN 29 HA GLN 29 12.028 1.185 0.915 314 1HB GLN 29 2HB GLN 29 13.833 -0.463 -0.035 315 2HB GLN 29 3HB GLN 29 13.129 -0.105 -1.611 316 1HG GLN 29 2HG GLN 29 14.151 1.986 0.389 317 2HG GLN 29 3HG GLN 29 15.152 1.272 -0.876 318 1HE2 GLN 29 2HE2 GLN 29 13.442 2.973 -3.572 319 2HE2 GLN 29 1HE2 GLN 29 14.125 1.400 -3.190 320 QB GLN 29 QB GLN 29 13.481 -0.284 -0.823 321 QG GLN 29 QG GLN 29 14.652 1.629 -0.243 322 QE2 GLN 29 QE2 GLN 29 13.784 2.187 -3.381 323 H SER 30 HN SER 30 10.510 -0.830 -1.643 324 HA SER 30 HA SER 30 9.561 1.345 -3.261 325 1HB SER 30 2HB SER 30 8.364 -1.442 -2.941 326 2HB SER 30 3HB SER 30 8.124 -0.301 -4.270 327 HG SER 30 HG SER 30 10.467 -1.745 -3.615 328 QB SER 30 QB SER 30 8.244 -0.872 -3.606 329 H ILE 31 HN ILE 31 8.212 -0.482 -0.513 330 HA ILE 31 HA ILE 31 5.589 0.717 -0.639 331 HB ILE 31 HB ILE 31 7.020 -0.592 1.705 332 1HG1 ILE 31 2HG1 ILE 31 6.928 -2.159 -0.168 333 2HG1 ILE 31 3HG1 ILE 31 5.858 -2.634 1.143 334 1HG2 ILE 31 1HG2 ILE 31 5.077 0.733 2.414 335 2HG2 ILE 31 2HG2 ILE 31 4.041 -0.140 1.279 336 3HG2 ILE 31 3HG2 ILE 31 4.821 -1.002 2.627 337 1HD1 ILE 31 3HD1 ILE 31 4.314 -1.073 -0.778 338 2HD1 ILE 31 1HD1 ILE 31 5.200 -2.362 -1.596 339 3HD1 ILE 31 2HD1 ILE 31 4.133 -2.754 -0.254 340 QG1 ILE 31 QG1 ILE 31 6.393 -2.397 0.488 341 QG2 ILE 31 QG2 ILE 31 4.646 -0.136 2.107 342 QD1 ILE 31 QD1 ILE 31 4.549 -2.063 -0.876 343 H GLU 32 HN GLU 32 8.501 1.378 1.361 344 HA GLU 32 HA GLU 32 7.469 3.561 2.759 345 1HB GLU 32 2HB GLU 32 9.485 2.392 3.356 346 2HB GLU 32 3HB GLU 32 10.354 3.033 1.952 347 1HG GLU 32 2HG GLU 32 10.527 5.161 2.886 348 2HG GLU 32 3HG GLU 32 9.006 5.018 3.783 349 QB GLU 32 QB GLU 32 9.920 2.713 2.654 350 QG GLU 32 QG GLU 32 9.766 5.089 3.335 351 H GLN 33 HN GLN 33 9.201 3.505 -0.414 352 HA GLN 33 HA GLN 33 9.108 6.242 -1.023 353 1HB GLN 33 2HB GLN 33 10.374 4.907 -2.412 354 2HB GLN 33 3HB GLN 33 9.112 3.706 -2.670 355 1HG GLN 33 2HG GLN 33 7.900 5.028 -4.157 356 2HG GLN 33 3HG GLN 33 8.665 6.521 -3.608 357 1HE2 GLN 33 2HE2 GLN 33 10.301 4.624 -6.735 358 2HE2 GLN 33 1HE2 GLN 33 8.807 4.056 -6.004 359 QB GLN 33 QB GLN 33 9.743 4.307 -2.541 360 QG GLN 33 QG GLN 33 8.283 5.774 -3.882 361 QE2 GLN 33 QE2 GLN 33 9.554 4.340 -6.370 362 H LEU 34 HN LEU 34 6.586 3.726 -1.625 363 HA LEU 34 HA LEU 34 4.792 5.623 -2.777 364 1HB LEU 34 2HB LEU 34 4.532 3.145 -3.001 365 2HB LEU 34 3HB LEU 34 4.043 3.084 -1.296 366 HG LEU 34 HG LEU 34 2.153 4.690 -1.867 367 1HD1 LEU 34 1HD1 LEU 34 3.013 4.080 -4.725 368 2HD1 LEU 34 2HD1 LEU 34 1.480 4.851 -4.255 369 3HD1 LEU 34 3HD1 LEU 34 2.998 5.671 -3.942 370 1HD2 LEU 34 2HD2 LEU 34 2.278 1.903 -2.160 371 2HD2 LEU 34 3HD2 LEU 34 0.840 2.915 -1.995 372 3HD2 LEU 34 1HD2 LEU 34 1.423 2.472 -3.605 373 QB LEU 34 QB LEU 34 4.288 3.115 -2.149 374 QD1 LEU 34 QD1 LEU 34 2.497 4.867 -4.307 375 QD2 LEU 34 QD2 LEU 34 1.514 2.430 -2.587 376 QQD LEU 34 QQD LEU 34 2.005 3.649 -3.447 377 H GLU 35 HN GLU 35 5.111 4.466 0.586 378 HA GLU 35 HA GLU 35 3.024 5.946 1.731 379 1HB GLU 35 2HB GLU 35 5.537 4.600 2.631 380 2HB GLU 35 3HB GLU 35 4.966 5.846 3.722 381 1HG GLU 35 2HG GLU 35 4.363 3.311 4.052 382 2HG GLU 35 3HG GLU 35 3.287 4.608 4.529 383 QB GLU 35 QB GLU 35 5.252 5.223 3.177 384 QG GLU 35 QG GLU 35 3.825 3.959 4.291 385 H ASN 36 HN ASN 36 6.450 7.020 1.313 386 HA ASN 36 HA ASN 36 5.714 9.665 2.332 387 1HB ASN 36 2HB ASN 36 7.893 10.385 1.818 388 2HB ASN 36 3HB ASN 36 7.975 8.788 2.575 389 1HD2 ASN 36 2HD2 ASN 36 10.185 7.880 -0.045 390 2HD2 ASN 36 1HD2 ASN 36 9.909 7.992 1.681 391 QB ASN 36 QB ASN 36 7.934 9.586 2.197 392 QD2 ASN 36 QD2 ASN 36 10.047 7.936 0.818 393 H GLY 37 HN GLY 37 4.989 8.134 -0.614 394 1HA GLY 37 1HA GLY 37 3.798 8.912 -2.366 395 2HA GLY 37 2HA GLY 37 3.771 10.519 -1.640 396 QA GLY 37 QA GLY 37 3.785 9.716 -2.003 397 H LYS 38 HN LYS 38 6.707 8.636 -2.512 398 HA LYS 38 HA LYS 38 7.503 10.818 -4.383 399 1HB LYS 38 2HB LYS 38 8.934 8.535 -3.052 400 2HB LYS 38 3HB LYS 38 9.685 9.335 -4.419 401 1HG LYS 38 2HG LYS 38 8.673 11.154 -2.273 402 2HG LYS 38 3HG LYS 38 9.961 10.044 -1.810 403 1HD LYS 38 2HD LYS 38 10.899 12.126 -2.460 404 2HD LYS 38 3HD LYS 38 11.472 10.785 -3.462 405 1HE LYS 38 2HE LYS 38 10.253 11.486 -5.363 406 2HE LYS 38 3HE LYS 38 9.159 12.516 -4.419 407 1HZ LYS 38 1HZ LYS 38 12.028 13.093 -4.634 408 2HZ LYS 38 2HZ LYS 38 10.919 13.688 -5.697 409 3HZ LYS 38 3HZ LYS 38 10.821 14.081 -4.103 410 QB LYS 38 QB LYS 38 9.309 8.935 -3.736 411 QG LYS 38 QG LYS 38 9.317 10.599 -2.042 412 QD LYS 38 QD LYS 38 11.185 11.455 -2.961 413 QE LYS 38 QE LYS 38 9.706 12.001 -4.891 414 QZ LYS 38 QZ LYS 38 11.256 13.621 -4.811 415 H THR 39 HN THR 39 5.262 8.895 -5.152 416 HA THR 39 HA THR 39 6.371 8.523 -7.823 417 HB THR 39 HB THR 39 6.471 6.260 -6.434 418 HG1 THR 39 1HG THR 39 6.340 5.273 -8.421 419 1HG2 THR 39 3HG2 THR 39 3.931 6.362 -5.937 420 2HG2 THR 39 1HG2 THR 39 3.687 6.021 -7.661 421 3HG2 THR 39 2HG2 THR 39 4.544 4.854 -6.650 422 QG2 THR 39 QG2 THR 39 4.054 5.746 -6.749 423 H LYS 40 HN LYS 40 4.669 8.066 -9.390 424 HA LYS 40 HA LYS 40 2.292 9.795 -8.826 425 1HB LYS 40 2HB LYS 40 3.701 8.935 -11.373 426 2HB LYS 40 3HB LYS 40 2.182 9.845 -11.354 427 1HG LYS 40 2HG LYS 40 3.137 11.782 -10.559 428 2HG LYS 40 3HG LYS 40 4.448 10.956 -9.707 429 1HD LYS 40 2HD LYS 40 5.609 10.443 -11.747 430 2HD LYS 40 3HD LYS 40 4.266 11.048 -12.743 431 1HE LYS 40 2HE LYS 40 4.621 13.319 -12.043 432 2HE LYS 40 3HE LYS 40 5.751 12.845 -10.764 433 1HZ LYS 40 3HZ LYS 40 6.322 12.348 -13.605 434 2HZ LYS 40 1HZ LYS 40 6.746 13.743 -12.845 435 3HZ LYS 40 2HZ LYS 40 7.367 12.311 -12.331 436 QB LYS 40 QB LYS 40 2.941 9.390 -11.363 437 QG LYS 40 QG LYS 40 3.792 11.369 -10.133 438 QD LYS 40 QD LYS 40 4.938 10.745 -12.245 439 QE LYS 40 QE LYS 40 5.186 13.082 -11.403 440 QZ LYS 40 QZ LYS 40 6.812 12.801 -12.927 441 NH1 ARG 41 NH2 ARG 41 -2.875 5.553 -14.149 442 NH2 ARG 41 NH1 ARG 41 -1.830 7.234 -15.351 443 H ARG 41 HN ARG 41 3.204 6.635 -10.325 444 HA ARG 41 HA ARG 41 0.536 5.620 -9.600 445 1HB ARG 41 2HB ARG 41 1.107 6.310 -12.259 446 2HB ARG 41 3HB ARG 41 1.486 4.596 -12.202 447 1HG ARG 41 2HG ARG 41 -0.750 4.453 -12.680 448 2HG ARG 41 3HG ARG 41 -0.829 4.401 -10.924 449 1HD ARG 41 2HD ARG 41 -2.473 6.043 -11.519 450 2HD ARG 41 3HD ARG 41 -1.085 6.978 -11.004 451 HE ARG 41 HE ARG 41 -0.786 7.794 -13.123 452 1HH1 ARG 41 2HH2 ARG 41 -3.009 5.068 -13.274 453 2HH1 ARG 41 1HH2 ARG 41 -3.386 5.239 -14.960 454 1HH2 ARG 41 2HH1 ARG 41 -1.185 8.009 -15.405 455 2HH2 ARG 41 1HH1 ARG 41 -2.299 6.946 -16.198 456 QB ARG 41 QB ARG 41 1.296 5.453 -12.231 457 QG ARG 41 QG ARG 41 -0.790 4.427 -11.802 458 QD ARG 41 QD ARG 41 -1.779 6.511 -11.262 459 QH1 ARG 41 QH2 ARG 41 -3.197 5.154 -14.117 460 QH2 ARG 41 QH1 ARG 41 -1.742 7.478 -15.801 461 HA PRO 42 HA PRO 42 3.689 2.562 -8.412 462 1HB PRO 42 2HB PRO 42 1.993 0.910 -6.928 463 2HB PRO 42 3HB PRO 42 2.906 2.314 -6.313 464 1HG PRO 42 2HG PRO 42 0.011 2.070 -6.859 465 2HG PRO 42 3HG PRO 42 0.844 3.211 -5.803 466 1HD PRO 42 2HD PRO 42 -0.171 3.752 -8.404 467 2HD PRO 42 3HD PRO 42 0.900 4.806 -7.435 468 QB PRO 42 QB PRO 42 2.450 1.612 -6.620 469 QG PRO 42 QG PRO 42 0.427 2.640 -6.331 470 QD PRO 42 QD PRO 42 0.365 4.279 -7.920 471 NH1 ARG 43 NH2 ARG 43 9.332 -3.506 -10.309 472 NH2 ARG 43 NH1 ARG 43 8.200 -5.483 -10.722 473 H ARG 43 HN ARG 43 4.303 0.803 -9.608 474 HA ARG 43 HA ARG 43 2.652 -0.447 -11.573 475 1HB ARG 43 2HB ARG 43 4.429 -2.170 -11.670 476 2HB ARG 43 3HB ARG 43 5.125 -0.544 -11.621 477 1HG ARG 43 2HG ARG 43 5.472 -0.849 -9.128 478 2HG ARG 43 3HG ARG 43 4.965 -2.535 -9.300 479 1HD ARG 43 2HD ARG 43 7.246 -1.426 -10.967 480 2HD ARG 43 3HD ARG 43 7.467 -1.873 -9.261 481 HE ARG 43 HE ARG 43 6.163 -3.990 -10.718 482 1HH1 ARG 43 2HH2 ARG 43 9.316 -2.505 -10.185 483 2HH1 ARG 43 1HH2 ARG 43 10.221 -3.983 -10.274 484 1HH2 ARG 43 2HH1 ARG 43 7.337 -5.995 -10.845 485 2HH2 ARG 43 1HH1 ARG 43 9.064 -6.005 -10.711 486 QB ARG 43 QB ARG 43 4.777 -1.357 -11.645 487 QG ARG 43 QG ARG 43 5.219 -1.692 -9.214 488 QD ARG 43 QD ARG 43 7.356 -1.650 -10.114 489 QH1 ARG 43 QH2 ARG 43 9.769 -3.244 -10.229 490 QH2 ARG 43 QH1 ARG 43 8.200 -6.000 -10.778 491 H PHE 44 HN PHE 44 3.258 -1.168 -8.199 492 HA PHE 44 HA PHE 44 1.697 -3.641 -8.258 493 1HB PHE 44 2HB PHE 44 2.345 -3.518 -5.763 494 2HB PHE 44 3HB PHE 44 3.603 -3.770 -6.948 495 HD1 PHE 44 HD2 PHE 44 2.002 -1.066 -4.884 496 HD2 PHE 44 HD1 PHE 44 5.538 -2.483 -6.899 497 HE1 PHE 44 HE2 PHE 44 3.271 0.894 -4.054 498 HE2 PHE 44 HE1 PHE 44 6.762 -0.452 -6.182 499 HZ PHE 44 HZ PHE 44 5.640 1.223 -4.710 500 QB PHE 44 QB PHE 44 2.974 -3.644 -6.356 501 QR PHE 44 QR PHE 44 4.393 -0.777 -5.505 502 H LEU 45 HN LEU 45 0.173 -1.197 -8.966 503 HA LEU 45 HA LEU 45 -1.526 -0.518 -6.794 504 1HB LEU 45 2HB LEU 45 -1.945 -0.669 -9.776 505 2HB LEU 45 3HB LEU 45 -3.358 -0.469 -8.735 506 HG LEU 45 HG LEU 45 -0.957 1.363 -8.667 507 1HD1 LEU 45 2HD1 LEU 45 -1.996 1.447 -10.881 508 2HD1 LEU 45 3HD1 LEU 45 -3.594 1.705 -10.142 509 3HD1 LEU 45 1HD1 LEU 45 -2.328 2.936 -9.978 510 1HD2 LEU 45 3HD2 LEU 45 -2.421 1.445 -6.595 511 2HD2 LEU 45 1HD2 LEU 45 -2.451 2.943 -7.525 512 3HD2 LEU 45 2HD2 LEU 45 -3.801 1.813 -7.639 513 QB LEU 45 QB LEU 45 -2.651 -0.569 -9.255 514 QD1 LEU 45 QD1 LEU 45 -2.639 2.029 -10.334 515 QD2 LEU 45 QD2 LEU 45 -2.891 2.067 -7.253 516 QQD LEU 45 QQD LEU 45 -2.765 2.048 -8.793 517 HA PRO 46 HA PRO 46 -4.382 -4.196 -7.627 518 1HB PRO 46 2HB PRO 46 -3.492 -6.433 -8.968 519 2HB PRO 46 3HB PRO 46 -4.335 -5.057 -9.733 520 1HG PRO 46 2HG PRO 46 -1.375 -5.621 -9.668 521 2HG PRO 46 3HG PRO 46 -2.364 -5.021 -11.027 522 1HD PRO 46 2HD PRO 46 -0.822 -3.416 -9.461 523 2HD PRO 46 3HD PRO 46 -2.334 -2.836 -10.204 524 QB PRO 46 QB PRO 46 -3.913 -5.745 -9.351 525 QG PRO 46 QG PRO 46 -1.870 -5.321 -10.347 526 QD PRO 46 QD PRO 46 -1.578 -3.126 -9.832 527 H GLU 47 HN GLU 47 -0.932 -5.143 -7.437 528 HA GLU 47 HA GLU 47 -1.127 -7.178 -5.514 529 1HB GLU 47 2HB GLU 47 1.020 -5.184 -6.220 530 2HB GLU 47 3HB GLU 47 1.296 -6.550 -5.124 531 1HG GLU 47 2HG GLU 47 1.108 -8.141 -6.773 532 2HG GLU 47 3HG GLU 47 0.169 -7.114 -7.863 533 QB GLU 47 QB GLU 47 1.158 -5.867 -5.672 534 QG GLU 47 QG GLU 47 0.638 -7.627 -7.318 535 H LEU 48 HN LEU 48 -0.778 -3.596 -5.010 536 HA LEU 48 HA LEU 48 -0.649 -3.793 -2.137 537 1HB LEU 48 2HB LEU 48 0.004 -1.828 -3.654 538 2HB LEU 48 3HB LEU 48 -1.703 -1.462 -3.781 539 HG LEU 48 HG LEU 48 -0.893 0.000 -2.143 540 1HD1 LEU 48 1HD1 LEU 48 -2.858 -1.301 -1.152 541 2HD1 LEU 48 2HD1 LEU 48 -1.651 -2.275 -0.283 542 3HD1 LEU 48 3HD1 LEU 48 -1.766 -0.533 -0.004 543 1HD2 LEU 48 1HD2 LEU 48 0.755 -2.315 -1.117 544 2HD2 LEU 48 2HD2 LEU 48 1.345 -0.841 -1.907 545 3HD2 LEU 48 3HD2 LEU 48 0.641 -0.746 -0.283 546 QB LEU 48 QB LEU 48 -0.850 -1.645 -3.717 547 QD1 LEU 48 QD1 LEU 48 -2.092 -1.370 -0.480 548 QD2 LEU 48 QD2 LEU 48 0.914 -1.301 -1.102 549 QQD LEU 48 QQD LEU 48 -0.589 -1.335 -0.791 550 H ALA 49 HN ALA 49 -3.284 -3.119 -4.469 551 HA ALA 49 HA ALA 49 -5.390 -2.809 -2.655 552 1HB ALA 49 2HB ALA 49 -5.407 -3.972 -5.468 553 2HB ALA 49 3HB ALA 49 -6.836 -3.409 -4.597 554 3HB ALA 49 1HB ALA 49 -5.560 -2.263 -5.012 555 QB ALA 49 QB ALA 49 -5.934 -3.215 -5.026 556 H SER 50 HN SER 50 -4.172 -5.862 -4.145 557 HA SER 50 HA SER 50 -6.055 -7.551 -2.789 558 1HB SER 50 2HB SER 50 -4.638 -9.373 -3.572 559 2HB SER 50 3HB SER 50 -4.922 -8.194 -4.873 560 HG SER 50 HG SER 50 -2.714 -8.781 -4.739 561 QB SER 50 QB SER 50 -4.780 -8.783 -4.222 562 H ALA 51 HN ALA 51 -2.615 -6.691 -2.130 563 HA ALA 51 HA ALA 51 -2.167 -8.225 0.112 564 1HB ALA 51 1HB ALA 51 -0.429 -6.848 -0.915 565 2HB ALA 51 2HB ALA 51 -1.206 -5.366 -0.310 566 3HB ALA 51 3HB ALA 51 -0.523 -6.545 0.824 567 QB ALA 51 QB ALA 51 -0.719 -6.253 -0.134 568 H LEU 52 HN LEU 52 -3.722 -4.967 0.104 569 HA LEU 52 HA LEU 52 -4.419 -5.323 2.951 570 1HB LEU 52 2HB LEU 52 -4.639 -3.077 0.965 571 2HB LEU 52 3HB LEU 52 -5.954 -3.210 2.120 572 HG LEU 52 HG LEU 52 -4.602 -1.721 3.117 573 1HD1 LEU 52 3HD1 LEU 52 -5.146 -3.785 4.621 574 2HD1 LEU 52 1HD1 LEU 52 -3.418 -4.189 4.451 575 3HD1 LEU 52 2HD1 LEU 52 -3.880 -2.670 5.175 576 1HD2 LEU 52 1HD2 LEU 52 -2.207 -3.375 2.455 577 2HD2 LEU 52 2HD2 LEU 52 -2.642 -1.763 1.819 578 3HD2 LEU 52 3HD2 LEU 52 -2.176 -1.940 3.519 579 QB LEU 52 QB LEU 52 -5.297 -3.143 1.542 580 QD1 LEU 52 QD1 LEU 52 -4.148 -3.548 4.749 581 QD2 LEU 52 QD2 LEU 52 -2.342 -2.359 2.598 582 QQD LEU 52 QQD LEU 52 -3.245 -2.954 3.673 583 H GLY 53 HN GLY 53 -6.020 -5.826 -0.139 584 1HA GLY 53 1HA GLY 53 -7.950 -7.007 -0.541 585 2HA GLY 53 2HA GLY 53 -8.283 -7.150 1.193 586 QA GLY 53 QA GLY 53 -8.117 -7.078 0.326 587 H VAL 54 HN VAL 54 -7.721 -4.430 -1.071 588 HA VAL 54 HA VAL 54 -10.460 -3.378 -0.630 589 HB VAL 54 HB VAL 54 -9.514 -1.045 -0.703 590 1HG1 VAL 54 3HG1 VAL 54 -10.335 -2.053 1.395 591 2HG1 VAL 54 1HG1 VAL 54 -8.697 -2.638 1.757 592 3HG1 VAL 54 2HG1 VAL 54 -9.022 -0.894 1.662 593 1HG2 VAL 54 3HG2 VAL 54 -7.228 -1.671 -1.547 594 2HG2 VAL 54 1HG2 VAL 54 -7.195 -0.627 -0.120 595 3HG2 VAL 54 2HG2 VAL 54 -6.866 -2.355 0.050 596 QG1 VAL 54 QG1 VAL 54 -9.351 -1.862 1.605 597 QG2 VAL 54 QG2 VAL 54 -7.096 -1.551 -0.539 598 QQG VAL 54 QQG VAL 54 -8.224 -1.706 0.533 599 H SER 55 HN SER 55 -10.777 -1.563 -2.480 600 HA SER 55 HA SER 55 -10.051 -2.894 -4.989 601 1HB SER 55 2HB SER 55 -11.699 -1.087 -5.816 602 2HB SER 55 3HB SER 55 -12.332 -2.366 -4.759 603 HG SER 55 HG SER 55 -12.987 -0.265 -4.073 604 QB SER 55 QB SER 55 -12.015 -1.726 -5.288 605 H VAL 56 HN VAL 56 -8.875 -1.907 -6.626 606 HA VAL 56 HA VAL 56 -6.825 -0.025 -6.109 607 HB VAL 56 HB VAL 56 -8.302 -0.611 -8.720 608 1HG1 VAL 56 3HG1 VAL 56 -5.548 0.550 -8.189 609 2HG1 VAL 56 1HG1 VAL 56 -6.197 0.128 -9.789 610 3HG1 VAL 56 2HG1 VAL 56 -6.930 1.438 -8.857 611 1HG2 VAL 56 2HG2 VAL 56 -6.606 -2.337 -7.130 612 2HG2 VAL 56 3HG2 VAL 56 -7.337 -2.640 -8.711 613 3HG2 VAL 56 1HG2 VAL 56 -5.733 -1.901 -8.596 614 QG1 VAL 56 QG1 VAL 56 -6.225 0.705 -8.945 615 QG2 VAL 56 QG2 VAL 56 -6.559 -2.293 -8.146 616 QQG VAL 56 QQG VAL 56 -6.392 -0.794 -8.545 617 H ASP 57 HN ASP 57 -10.150 0.458 -7.343 618 HA ASP 57 HA ASP 57 -10.120 3.187 -7.803 619 1HB ASP 57 2HB ASP 57 -12.120 1.146 -7.535 620 2HB ASP 57 3HB ASP 57 -12.582 2.413 -6.397 621 QB ASP 57 QB ASP 57 -12.351 1.779 -6.966 622 CH2 TRP 58 CH2 TRP 58 -8.365 2.648 2.707 623 H TRP 58 HN TRP 58 -10.336 1.471 -4.701 624 HA TRP 58 HA TRP 58 -10.814 3.929 -3.190 625 1HB TRP 58 2HB TRP 58 -11.739 1.758 -2.469 626 2HB TRP 58 3HB TRP 58 -10.102 1.171 -2.168 627 HD1 TRP 58 HD1 TRP 58 -12.653 3.755 -0.894 628 HE1 TRP 58 HE1 TRP 58 -12.170 4.329 1.492 629 HE3 TRP 58 HE3 TRP 58 -8.075 1.495 -0.494 630 HZ2 TRP 58 HZ2 TRP 58 -10.005 3.848 3.445 631 HZ3 TRP 58 HZ3 TRP 58 -6.814 1.595 1.647 632 HH2 TRP 58 HH2 TRP 58 -7.821 2.654 3.640 633 QB TRP 58 QB TRP 58 -10.921 1.464 -2.319 634 H LEU 59 HN LEU 59 -8.035 1.761 -3.980 635 HA LEU 59 HA LEU 59 -6.169 3.248 -2.398 636 1HB LEU 59 2HB LEU 59 -6.008 1.465 -4.791 637 2HB LEU 59 3HB LEU 59 -4.621 2.474 -4.530 638 HG LEU 59 HG LEU 59 -5.804 0.445 -2.587 639 1HD1 LEU 59 1HD1 LEU 59 -4.407 -0.272 -4.632 640 2HD1 LEU 59 2HD1 LEU 59 -3.043 0.557 -3.857 641 3HD1 LEU 59 3HD1 LEU 59 -3.846 -0.806 -3.047 642 1HD2 LEU 59 3HD2 LEU 59 -3.581 2.491 -2.177 643 2HD2 LEU 59 1HD2 LEU 59 -4.920 2.086 -1.077 644 3HD2 LEU 59 2HD2 LEU 59 -3.600 0.952 -1.299 645 QB LEU 59 QB LEU 59 -5.315 1.970 -4.660 646 QD1 LEU 59 QD1 LEU 59 -3.765 -0.174 -3.845 647 QD2 LEU 59 QD2 LEU 59 -4.034 1.843 -1.518 648 QQD LEU 59 QQD LEU 59 -3.900 0.835 -2.681 649 H LEU 60 HN LEU 60 -7.426 3.916 -5.658 650 HA LEU 60 HA LEU 60 -5.771 6.267 -6.012 651 1HB LEU 60 2HB LEU 60 -8.278 5.294 -7.421 652 2HB LEU 60 3HB LEU 60 -7.336 6.699 -7.937 653 HG LEU 60 HG LEU 60 -6.218 3.856 -7.735 654 1HD1 LEU 60 1HD1 LEU 60 -7.131 5.466 -10.153 655 2HD1 LEU 60 2HD1 LEU 60 -6.337 3.875 -10.196 656 3HD1 LEU 60 3HD1 LEU 60 -7.946 4.041 -9.471 657 1HD2 LEU 60 2HD2 LEU 60 -5.050 6.464 -8.795 658 2HD2 LEU 60 3HD2 LEU 60 -4.389 5.416 -7.519 659 3HD2 LEU 60 1HD2 LEU 60 -4.396 4.862 -9.192 660 QB LEU 60 QB LEU 60 -7.807 5.997 -7.679 661 QD1 LEU 60 QD1 LEU 60 -7.138 4.461 -9.940 662 QD2 LEU 60 QD2 LEU 60 -4.612 5.581 -8.502 663 QQD LEU 60 QQD LEU 60 -5.875 5.021 -9.221 664 H ASN 61 HN ASN 61 -9.308 5.981 -5.360 665 HA ASN 61 HA ASN 61 -9.470 8.843 -4.692 666 1HB ASN 61 2HB ASN 61 -11.510 6.570 -4.595 667 2HB ASN 61 3HB ASN 61 -11.830 8.219 -4.050 668 1HD2 ASN 61 2HD2 ASN 61 -12.026 7.451 -8.001 669 2HD2 ASN 61 1HD2 ASN 61 -11.730 6.153 -6.882 670 QB ASN 61 QB ASN 61 -11.670 7.395 -4.323 671 QD2 ASN 61 QD2 ASN 61 -11.878 6.802 -7.441 672 H GLY 62 HN GLY 62 -10.131 5.812 -2.873 673 1HA GLY 62 1HA GLY 62 -9.817 5.322 -0.645 674 2HA GLY 62 2HA GLY 62 -8.721 6.681 -0.628 675 QA GLY 62 QA GLY 62 -9.269 6.002 -0.636 676 H THR 63 HN THR 63 -12.156 5.868 -0.754 677 HA THR 63 HA THR 63 -12.794 7.693 1.472 678 HB THR 63 HB THR 63 -14.807 8.353 0.170 679 HG1 THR 63 1HG THR 63 -13.263 7.383 -2.017 680 1HG2 THR 63 1HG2 THR 63 -12.731 9.809 0.439 681 2HG2 THR 63 2HG2 THR 63 -12.155 9.200 -1.126 682 3HG2 THR 63 3HG2 THR 63 -13.649 10.147 -1.048 683 QG2 THR 63 QG2 THR 63 -12.845 9.719 -0.578 684 H SER 64 HN SER 64 -13.591 6.389 2.956 685 HA SER 64 HA SER 64 -15.725 4.440 2.323 686 1HB SER 64 2HB SER 64 -13.195 3.786 3.911 687 2HB SER 64 3HB SER 64 -14.685 2.832 3.945 688 HG SER 64 HG SER 64 -13.264 2.001 2.393 689 QB SER 64 QB SER 64 -13.940 3.309 3.928 690 H ASP 65 HN ASP 65 -16.955 6.229 3.204 691 HA ASP 65 HA ASP 65 -18.078 7.338 4.795 692 1HB ASP 65 2HB ASP 65 -18.527 5.144 5.728 693 2HB ASP 65 3HB ASP 65 -17.007 5.173 6.651 694 QB ASP 65 QB ASP 65 -17.767 5.158 6.190 695 H SER 66 HN SER 66 -17.822 8.546 6.963 696 HA SER 66 HA SER 66 -15.067 9.340 7.715 697 1HB SER 66 2HB SER 66 -16.888 11.394 6.388 698 2HB SER 66 3HB SER 66 -15.379 11.753 7.210 699 HG SER 66 HG SER 66 -14.982 9.799 5.395 700 QB SER 66 QB SER 66 -16.134 11.574 6.799 701 H ASN 67 HN ASN 67 -15.292 9.279 9.890 702 HA ASN 67 HA ASN 67 -17.803 10.335 11.154 703 1HB ASN 67 2HB ASN 67 -17.592 7.860 11.245 704 2HB ASN 67 3HB ASN 67 -16.046 8.035 12.085 705 1HD2 ASN 67 2HD2 ASN 67 -19.577 9.029 14.020 706 2HD2 ASN 67 1HD2 ASN 67 -19.517 9.022 12.264 707 QB ASN 67 QB ASN 67 -16.819 7.948 11.665 708 QD2 ASN 67 QD2 ASN 67 -19.547 9.026 13.142 709 H VAL 68 HN VAL 68 -16.757 12.391 11.166 710 HA VAL 68 HA VAL 68 -15.775 14.105 12.199 711 HB VAL 68 HB VAL 68 -14.969 12.176 14.422 712 1HG1 VAL 68 1HG1 VAL 68 -14.855 15.206 14.290 713 2HG1 VAL 68 2HG1 VAL 68 -14.786 14.261 15.789 714 3HG1 VAL 68 3HG1 VAL 68 -13.520 14.065 14.587 715 1HG2 VAL 68 2HG2 VAL 68 -17.294 14.136 14.164 716 2HG2 VAL 68 3HG2 VAL 68 -17.422 12.364 14.158 717 3HG2 VAL 68 1HG2 VAL 68 -16.882 13.202 15.613 718 QG1 VAL 68 QG1 VAL 68 -14.387 14.511 14.889 719 QG2 VAL 68 QG2 VAL 68 -17.199 13.234 14.645 720 QQG VAL 68 QQG VAL 68 -15.793 13.872 14.767 721 NH1 ARG 69 NH2 ARG 69 -10.229 17.113 15.361 722 NH2 ARG 69 NH1 ARG 69 -9.479 18.666 13.814 723 H ARG 69 HN ARG 69 -13.815 15.184 12.200 724 HA ARG 69 HA ARG 69 -11.806 15.734 11.365 725 1HB ARG 69 2HB ARG 69 -10.972 12.858 11.905 726 2HB ARG 69 3HB ARG 69 -9.912 14.172 11.433 727 1HG ARG 69 2HG ARG 69 -11.458 14.993 13.768 728 2HG ARG 69 3HG ARG 69 -10.740 13.404 14.049 729 1HD ARG 69 2HD ARG 69 -9.030 14.826 14.791 730 2HD ARG 69 3HD ARG 69 -8.524 14.435 13.169 731 HE ARG 69 HE ARG 69 -8.897 16.604 12.461 732 1HH1 ARG 69 2HH2 ARG 69 -10.403 16.148 15.599 733 2HH1 ARG 69 1HH2 ARG 69 -10.519 17.833 16.005 734 1HH2 ARG 69 2HH1 ARG 69 -9.050 18.889 12.928 735 2HH2 ARG 69 1HH1 ARG 69 -9.763 19.428 14.413 736 QB ARG 69 QB ARG 69 -10.442 13.515 11.669 737 QG ARG 69 QG ARG 69 -11.099 14.198 13.908 738 QD ARG 69 QD ARG 69 -8.777 14.630 13.980 739 QH1 ARG 69 QH2 ARG 69 -10.461 16.991 15.802 740 QH2 ARG 69 QH1 ARG 69 -9.407 19.159 13.670 Start of MODEL 2 Raw file had 740 H/Q atoms Start of MODEL 2 1 H SER 1 HN SER 1 -5.178 9.874 4.143 2 HA SER 1 HA SER 1 -3.747 11.497 2.147 3 1HB SER 1 2HB SER 1 -2.297 10.453 4.608 4 2HB SER 1 3HB SER 1 -1.749 11.686 3.438 5 HG SER 1 HG SER 1 -2.998 13.106 4.502 6 QB SER 1 QB SER 1 -2.023 11.069 4.023 7 H ILE 2 HN ILE 2 -2.283 10.030 0.883 8 HA ILE 2 HA ILE 2 -3.214 7.437 0.489 9 HB ILE 2 HB ILE 2 -2.014 8.648 -1.160 10 1HG1 ILE 2 2HG1 ILE 2 -0.277 6.228 -0.601 11 2HG1 ILE 2 3HG1 ILE 2 -1.994 6.029 -0.972 12 1HG2 ILE 2 2HG2 ILE 2 -0.248 9.687 0.426 13 2HG2 ILE 2 3HG2 ILE 2 0.643 8.163 0.252 14 3HG2 ILE 2 1HG2 ILE 2 0.308 9.163 -1.160 15 1HD1 ILE 2 3HD1 ILE 2 -0.276 7.708 -2.816 16 2HD1 ILE 2 1HD1 ILE 2 -0.287 5.943 -2.930 17 3HD1 ILE 2 2HD1 ILE 2 -1.794 6.852 -3.141 18 QG1 ILE 2 QG1 ILE 2 -1.135 6.128 -0.787 19 QG2 ILE 2 QG2 ILE 2 0.234 9.004 -0.161 20 QD1 ILE 2 QD1 ILE 2 -0.786 6.834 -2.962 21 H SER 3 HN SER 3 -0.184 8.360 2.225 22 HA SER 3 HA SER 3 0.470 5.775 3.074 23 1HB SER 3 2HB SER 3 1.934 6.851 4.645 24 2HB SER 3 3HB SER 3 1.927 7.790 3.158 25 HG SER 3 HG SER 3 1.700 8.959 5.218 26 QB SER 3 QB SER 3 1.931 7.321 3.902 27 H SER 4 HN SER 4 -1.577 8.247 4.595 28 HA SER 4 HA SER 4 -2.132 6.870 7.003 29 1HB SER 4 2HB SER 4 -2.884 9.095 6.953 30 2HB SER 4 3HB SER 4 -3.771 8.862 5.444 31 HG SER 4 HG SER 4 -4.529 7.417 7.710 32 QB SER 4 QB SER 4 -3.328 8.979 6.199 33 NH1 ARG 5 NH2 ARG 5 -5.818 8.747 -0.104 34 NH2 ARG 5 NH1 ARG 5 -5.393 7.608 -2.066 35 H ARG 5 HN ARG 5 -3.618 6.416 3.735 36 HA ARG 5 HA ARG 5 -5.657 4.646 4.778 37 1HB ARG 5 2HB ARG 5 -4.703 4.324 1.934 38 2HB ARG 5 3HB ARG 5 -6.288 4.241 2.672 39 1HG ARG 5 2HG ARG 5 -6.021 6.761 3.173 40 2HG ARG 5 3HG ARG 5 -4.728 6.670 1.942 41 1HD ARG 5 2HD ARG 5 -7.351 5.478 1.229 42 2HD ARG 5 3HD ARG 5 -7.319 7.207 1.415 43 HE ARG 5 HE ARG 5 -6.075 5.596 -0.712 44 1HH1 ARG 5 2HH2 ARG 5 -6.096 8.717 0.862 45 2HH1 ARG 5 1HH2 ARG 5 -5.680 9.629 -0.574 46 1HH2 ARG 5 2HH1 ARG 5 -5.304 6.731 -2.578 47 2HH2 ARG 5 1HH1 ARG 5 -5.326 8.460 -2.608 48 QB ARG 5 QB ARG 5 -5.495 4.282 2.303 49 QG ARG 5 QG ARG 5 -5.374 6.715 2.557 50 QD ARG 5 QD ARG 5 -7.335 6.343 1.321 51 QH1 ARG 5 QH2 ARG 5 -5.889 9.173 0.144 52 QH2 ARG 5 QH1 ARG 5 -5.314 7.595 -2.593 53 H VAL 6 HN VAL 6 -2.596 4.097 3.051 54 HA VAL 6 HA VAL 6 -2.624 1.274 3.166 55 HB VAL 6 HB VAL 6 -0.268 3.219 3.031 56 1HG1 VAL 6 2HG1 VAL 6 -0.461 0.239 2.422 57 2HG1 VAL 6 3HG1 VAL 6 0.926 1.287 2.009 58 3HG1 VAL 6 1HG1 VAL 6 0.453 1.056 3.701 59 1HG2 VAL 6 1HG2 VAL 6 -2.084 1.967 0.938 60 2HG2 VAL 6 2HG2 VAL 6 -1.608 3.667 1.122 61 3HG2 VAL 6 3HG2 VAL 6 -0.436 2.489 0.544 62 QG1 VAL 6 QG1 VAL 6 0.306 0.861 2.710 63 QG2 VAL 6 QG2 VAL 6 -1.376 2.708 0.868 64 QQG VAL 6 QQG VAL 6 -0.535 1.785 1.789 65 H LYS 7 HN LYS 7 -0.968 3.569 5.344 66 HA LYS 7 HA LYS 7 0.021 1.667 7.160 67 1HB LYS 7 2HB LYS 7 0.817 4.043 6.856 68 2HB LYS 7 3HB LYS 7 -0.593 4.576 7.771 69 1HG LYS 7 2HG LYS 7 0.641 2.451 9.270 70 2HG LYS 7 3HG LYS 7 1.962 3.449 8.690 71 1HD LYS 7 2HD LYS 7 -0.457 4.741 10.005 72 2HD LYS 7 3HD LYS 7 0.757 3.935 11.002 73 1HE LYS 7 2HE LYS 7 2.526 5.334 10.327 74 2HE LYS 7 3HE LYS 7 1.611 6.026 8.979 75 1HZ LYS 7 3HZ LYS 7 0.936 6.408 11.828 76 2HZ LYS 7 1HZ LYS 7 1.762 7.486 10.903 77 3HZ LYS 7 2HZ LYS 7 0.201 7.125 10.541 78 QB LYS 7 QB LYS 7 0.112 4.309 7.314 79 QG LYS 7 QG LYS 7 1.301 2.950 8.979 80 QD LYS 7 QD LYS 7 0.150 4.337 10.504 81 QE LYS 7 QE LYS 7 2.069 5.680 9.653 82 QZ LYS 7 QZ LYS 7 0.967 7.006 11.091 83 H SER 8 HN SER 8 -2.967 3.732 7.351 84 HA SER 8 HA SER 8 -3.953 2.874 9.842 85 1HB SER 8 2HB SER 8 -5.097 4.612 8.559 86 2HB SER 8 3HB SER 8 -5.509 3.437 7.276 87 HG SER 8 HG SER 8 -7.233 3.787 8.722 88 QB SER 8 QB SER 8 -5.303 4.025 7.918 89 H LYS 9 HN LYS 9 -4.333 1.320 6.564 90 HA LYS 9 HA LYS 9 -5.860 -0.786 7.712 91 1HB LYS 9 2HB LYS 9 -5.709 0.096 5.242 92 2HB LYS 9 3HB LYS 9 -4.297 -0.948 5.147 93 1HG LYS 9 2HG LYS 9 -6.277 -2.175 4.360 94 2HG LYS 9 3HG LYS 9 -5.838 -2.861 5.947 95 1HD LYS 9 2HD LYS 9 -7.634 -1.778 7.030 96 2HD LYS 9 3HD LYS 9 -7.901 -0.657 5.677 97 1HE LYS 9 2HE LYS 9 -8.875 -2.308 4.316 98 2HE LYS 9 3HE LYS 9 -8.165 -3.652 5.227 99 1HZ LYS 9 2HZ LYS 9 -10.168 -1.869 6.419 100 2HZ LYS 9 3HZ LYS 9 -10.569 -3.240 5.600 101 3HZ LYS 9 1HZ LYS 9 -9.649 -3.335 6.959 102 QB LYS 9 QB LYS 9 -5.003 -0.427 5.194 103 QG LYS 9 QG LYS 9 -6.057 -2.517 5.154 104 QD LYS 9 QD LYS 9 -7.767 -1.217 6.354 105 QE LYS 9 QE LYS 9 -8.519 -2.980 4.772 106 QZ LYS 9 QZ LYS 9 -10.129 -2.814 6.326 107 NH1 ARG 10 NH2 ARG 10 2.124 -0.849 3.889 108 NH2 ARG 10 NH1 ARG 10 2.781 1.166 4.756 109 H ARG 10 HN ARG 10 -2.398 -0.428 6.908 110 HA ARG 10 HA ARG 10 -1.405 -2.932 7.529 111 1HB ARG 10 2HB ARG 10 -0.234 -0.684 6.827 112 2HB ARG 10 3HB ARG 10 -0.026 -0.420 8.555 113 1HG ARG 10 2HG ARG 10 1.779 -1.746 8.594 114 2HG ARG 10 3HG ARG 10 0.818 -3.099 7.970 115 1HD ARG 10 2HD ARG 10 2.563 -2.748 6.378 116 2HD ARG 10 3HD ARG 10 1.026 -2.216 5.722 117 HE ARG 10 HE ARG 10 2.837 -0.170 6.944 118 1HH1 ARG 10 2HH2 ARG 10 1.896 -1.822 4.011 119 2HH1 ARG 10 1HH2 ARG 10 2.139 -0.467 2.956 120 1HH2 ARG 10 2HH1 ARG 10 3.083 1.818 5.491 121 2HH2 ARG 10 1HH1 ARG 10 2.832 1.569 3.835 122 QB ARG 10 QB ARG 10 -0.131 -0.552 7.691 123 QG ARG 10 QG ARG 10 1.298 -2.422 8.282 124 QD ARG 10 QD ARG 10 1.795 -2.482 6.050 125 QH1 ARG 10 QH2 ARG 10 2.018 -1.144 3.484 126 QH2 ARG 10 QH1 ARG 10 2.957 1.693 4.663 127 H ILE 11 HN ILE 11 -2.184 -0.271 9.785 128 HA ILE 11 HA ILE 11 -1.496 -1.647 12.202 129 HB ILE 11 HB ILE 11 -3.074 0.839 11.505 130 1HG1 ILE 11 2HG1 ILE 11 -1.564 1.630 13.447 131 2HG1 ILE 11 3HG1 ILE 11 -0.693 0.107 13.259 132 1HG2 ILE 11 3HG2 ILE 11 -3.275 -0.533 14.209 133 2HG2 ILE 11 1HG2 ILE 11 -3.659 1.175 13.912 134 3HG2 ILE 11 2HG2 ILE 11 -4.613 -0.063 13.127 135 1HD1 ILE 11 2HD1 ILE 11 -0.303 0.757 10.839 136 2HD1 ILE 11 3HD1 ILE 11 -1.105 2.310 11.198 137 3HD1 ILE 11 1HD1 ILE 11 0.412 1.869 12.011 138 QG1 ILE 11 QG1 ILE 11 -1.128 0.869 13.352 139 QG2 ILE 11 QG2 ILE 11 -3.849 0.194 13.749 140 QD1 ILE 11 QD1 ILE 11 -0.332 1.646 11.349 141 H GLN 12 HN GLN 12 -4.716 -1.072 10.718 142 HA GLN 12 HA GLN 12 -6.063 -2.633 12.584 143 1HB GLN 12 2HB GLN 12 -6.795 -1.131 10.402 144 2HB GLN 12 3HB GLN 12 -7.193 -2.737 9.810 145 1HG GLN 12 2HG GLN 12 -9.055 -2.812 11.084 146 2HG GLN 12 3HG GLN 12 -8.182 -2.404 12.556 147 1HE2 GLN 12 2HE2 GLN 12 -9.737 0.750 12.670 148 2HE2 GLN 12 1HE2 GLN 12 -9.169 -0.662 13.537 149 QB GLN 12 QB GLN 12 -6.994 -1.934 10.106 150 QG GLN 12 QG GLN 12 -8.619 -2.608 11.820 151 QE2 GLN 12 QE2 GLN 12 -9.452 0.044 13.104 152 H LEU 13 HN LEU 13 -4.378 -3.704 9.711 153 HA LEU 13 HA LEU 13 -5.073 -6.540 9.899 154 1HB LEU 13 2HB LEU 13 -3.209 -4.767 8.327 155 2HB LEU 13 3HB LEU 13 -2.774 -6.430 8.438 156 HG LEU 13 HG LEU 13 -4.225 -5.492 6.474 157 1HD1 LEU 13 1HD1 LEU 13 -3.649 -8.064 7.378 158 2HD1 LEU 13 2HD1 LEU 13 -5.400 -8.091 7.154 159 3HD1 LEU 13 3HD1 LEU 13 -4.340 -7.607 5.818 160 1HD2 LEU 13 2HD2 LEU 13 -6.110 -4.671 7.925 161 2HD2 LEU 13 3HD2 LEU 13 -6.592 -5.771 6.620 162 3HD2 LEU 13 1HD2 LEU 13 -6.513 -6.366 8.278 163 QB LEU 13 QB LEU 13 -2.992 -5.599 8.382 164 QD1 LEU 13 QD1 LEU 13 -4.464 -7.921 6.783 165 QD2 LEU 13 QD2 LEU 13 -6.405 -5.603 7.607 166 QQD LEU 13 QQD LEU 13 -5.434 -6.761 7.195 167 H GLY 14 HN GLY 14 -2.525 -4.466 11.209 168 1HA GLY 14 1HA GLY 14 -1.147 -4.859 13.011 169 2HA GLY 14 2HA GLY 14 -1.785 -6.505 13.174 170 QA GLY 14 QA GLY 14 -1.465 -5.682 13.093 171 H LEU 15 HN LEU 15 -0.407 -4.936 10.287 172 HA LEU 15 HA LEU 15 1.888 -6.882 10.314 173 1HB LEU 15 2HB LEU 15 0.360 -5.813 7.908 174 2HB LEU 15 3HB LEU 15 1.767 -6.877 7.860 175 HG LEU 15 HG LEU 15 -0.972 -7.571 9.019 176 1HD1 LEU 15 1HD1 LEU 15 -0.821 -7.489 6.556 177 2HD1 LEU 15 2HD1 LEU 15 0.536 -8.660 6.638 178 3HD1 LEU 15 3HD1 LEU 15 -1.098 -9.136 7.159 179 1HD2 LEU 15 3HD2 LEU 15 1.683 -9.010 9.161 180 2HD2 LEU 15 1HD2 LEU 15 0.367 -8.923 10.353 181 3HD2 LEU 15 2HD2 LEU 15 0.208 -9.961 8.937 182 QB LEU 15 QB LEU 15 1.063 -6.345 7.884 183 QD1 LEU 15 QD1 LEU 15 -0.461 -8.428 6.785 184 QD2 LEU 15 QD2 LEU 15 0.752 -9.298 9.483 185 QQD LEU 15 QQD LEU 15 0.146 -8.863 8.134 186 H ASN 16 HN ASN 16 3.688 -5.974 8.841 187 HA ASN 16 HA ASN 16 4.041 -3.049 9.341 188 1HB ASN 16 2HB ASN 16 6.460 -3.512 9.446 189 2HB ASN 16 3HB ASN 16 5.568 -4.305 10.751 190 1HD2 ASN 16 2HD2 ASN 16 7.942 -6.849 9.465 191 2HD2 ASN 16 1HD2 ASN 16 8.092 -5.315 10.301 192 QB ASN 16 QB ASN 16 6.014 -3.909 10.099 193 QD2 ASN 16 QD2 ASN 16 8.017 -6.082 9.883 194 H GLN 17 HN GLN 17 5.536 -2.067 7.774 195 HA GLN 17 HA GLN 17 4.698 -2.356 5.102 196 1HB GLN 17 2HB GLN 17 7.002 -1.017 6.498 197 2HB GLN 17 3HB GLN 17 7.114 -1.304 4.743 198 1HG GLN 17 2HG GLN 17 4.964 -0.132 4.490 199 2HG GLN 17 3HG GLN 17 5.077 0.376 6.199 200 1HE2 GLN 17 2HE2 GLN 17 6.982 3.177 5.067 201 2HE2 GLN 17 1HE2 GLN 17 5.425 2.703 5.744 202 QB GLN 17 QB GLN 17 7.058 -1.161 5.621 203 QG GLN 17 QG GLN 17 5.020 0.122 5.345 204 QE2 GLN 17 QE2 GLN 17 6.203 2.939 5.405 205 H ALA 18 HN ALA 18 7.291 -4.105 6.821 206 HA ALA 18 HA ALA 18 8.480 -5.226 4.491 207 1HB ALA 18 3HB ALA 18 9.481 -5.116 6.811 208 2HB ALA 18 1HB ALA 18 8.446 -6.496 7.242 209 3HB ALA 18 2HB ALA 18 9.656 -6.665 5.962 210 QB ALA 18 QB ALA 18 9.195 -6.092 6.672 211 H GLU 19 HN GLU 19 6.120 -6.742 6.810 212 HA GLU 19 HA GLU 19 5.586 -9.108 5.402 213 1HB GLU 19 2HB GLU 19 3.933 -7.375 7.231 214 2HB GLU 19 3HB GLU 19 3.242 -8.795 6.474 215 1HG GLU 19 2HG GLU 19 5.867 -8.982 7.997 216 2HG GLU 19 3HG GLU 19 4.300 -9.159 8.798 217 QB GLU 19 QB GLU 19 3.588 -8.085 6.853 218 QG GLU 19 QG GLU 19 5.083 -9.071 8.397 219 H LEU 20 HN LEU 20 4.188 -5.829 5.143 220 HA LEU 20 HA LEU 20 2.343 -6.634 3.159 221 1HB LEU 20 2HB LEU 20 2.464 -4.461 4.682 222 2HB LEU 20 3HB LEU 20 3.212 -3.779 3.241 223 HG LEU 20 HG LEU 20 0.899 -5.368 2.420 224 1HD1 LEU 20 3HD1 LEU 20 0.275 -5.044 4.911 225 2HD1 LEU 20 1HD1 LEU 20 -0.117 -3.384 4.404 226 3HD1 LEU 20 2HD1 LEU 20 -0.898 -4.757 3.627 227 1HD2 LEU 20 1HD2 LEU 20 1.790 -2.574 2.115 228 2HD2 LEU 20 2HD2 LEU 20 1.183 -3.775 0.993 229 3HD2 LEU 20 3HD2 LEU 20 0.052 -2.884 2.031 230 QB LEU 20 QB LEU 20 2.838 -4.120 3.961 231 QD1 LEU 20 QD1 LEU 20 -0.247 -4.395 4.313 232 QD2 LEU 20 QD2 LEU 20 1.008 -3.078 1.713 233 QQD LEU 20 QQD LEU 20 0.381 -3.737 3.013 234 H ALA 21 HN ALA 21 5.664 -5.335 2.901 235 HA ALA 21 HA ALA 21 5.730 -5.024 0.087 236 1HB ALA 21 1HB ALA 21 7.429 -4.123 1.559 237 2HB ALA 21 2HB ALA 21 7.989 -5.748 1.999 238 3HB ALA 21 3HB ALA 21 8.147 -5.186 0.329 239 QB ALA 21 QB ALA 21 7.855 -5.019 1.296 240 H GLN 22 HN GLN 22 6.599 -7.850 2.148 241 HA GLN 22 HA GLN 22 7.304 -9.490 -0.097 242 1HB GLN 22 2HB GLN 22 7.172 -11.424 1.370 243 2HB GLN 22 3HB GLN 22 8.079 -10.089 2.102 244 1HG GLN 22 2HG GLN 22 6.187 -9.466 3.414 245 2HG GLN 22 3HG GLN 22 5.162 -10.749 2.725 246 1HE2 GLN 22 2HE2 GLN 22 5.930 -12.322 5.780 247 2HE2 GLN 22 1HE2 GLN 22 4.707 -11.751 4.713 248 QB GLN 22 QB GLN 22 7.626 -10.757 1.736 249 QG GLN 22 QG GLN 22 5.675 -10.107 3.070 250 QE2 GLN 22 QE2 GLN 22 5.318 -12.037 5.246 251 H LYS 23 HN LYS 23 4.123 -9.078 1.624 252 HA LYS 23 HA LYS 23 2.882 -11.039 -0.078 253 1HB LYS 23 2HB LYS 23 0.986 -10.750 1.110 254 2HB LYS 23 3HB LYS 23 2.192 -10.141 2.258 255 1HG LYS 23 2HG LYS 23 1.656 -7.815 1.387 256 2HG LYS 23 3HG LYS 23 0.394 -8.523 0.383 257 1HD LYS 23 2HD LYS 23 -0.371 -7.411 2.480 258 2HD LYS 23 3HD LYS 23 -0.991 -9.035 2.235 259 1HE LYS 23 2HE LYS 23 1.519 -8.523 3.901 260 2HE LYS 23 3HE LYS 23 -0.085 -8.214 4.557 261 1HZ LYS 23 1HZ LYS 23 0.491 -10.797 3.340 262 2HZ LYS 23 2HZ LYS 23 1.034 -10.498 4.863 263 3HZ LYS 23 3HZ LYS 23 -0.580 -10.430 4.536 264 QB LYS 23 QB LYS 23 1.588 -10.446 1.684 265 QG LYS 23 QG LYS 23 1.025 -8.169 0.885 266 QD LYS 23 QD LYS 23 -0.681 -8.223 2.358 267 QE LYS 23 QE LYS 23 0.717 -8.369 4.229 268 QZ LYS 23 QZ LYS 23 0.315 -10.575 4.247 269 H VAL 24 HN VAL 24 3.445 -7.586 -0.412 270 HA VAL 24 HA VAL 24 1.842 -7.208 -2.793 271 HB VAL 24 HB VAL 24 4.145 -5.696 -1.514 272 1HG1 VAL 24 1HG1 VAL 24 2.584 -5.015 -4.030 273 2HG1 VAL 24 2HG1 VAL 24 3.572 -3.851 -3.127 274 3HG1 VAL 24 3HG1 VAL 24 4.339 -5.240 -3.913 275 1HG2 VAL 24 2HG2 VAL 24 1.662 -5.706 -0.586 276 2HG2 VAL 24 3HG2 VAL 24 2.489 -4.151 -0.839 277 3HG2 VAL 24 1HG2 VAL 24 1.335 -4.760 -2.035 278 QG1 VAL 24 QG1 VAL 24 3.499 -4.702 -3.691 279 QG2 VAL 24 QG2 VAL 24 1.829 -4.872 -1.153 280 QQG VAL 24 QQG VAL 24 2.663 -4.787 -2.422 281 H GLY 25 HN GLY 25 5.117 -8.466 -2.120 282 1HA GLY 25 1HA GLY 25 6.349 -9.819 -3.584 283 2HA GLY 25 2HA GLY 25 5.277 -9.399 -4.929 284 QA GLY 25 QA GLY 25 5.813 -9.609 -4.256 285 H THR 26 HN THR 26 6.895 -7.207 -2.628 286 HA THR 26 HA THR 26 8.873 -6.373 -4.660 287 HB THR 26 HB THR 26 6.917 -4.896 -5.003 288 HG1 THR 26 1HG THR 26 8.977 -4.076 -5.348 289 1HG2 THR 26 2HG2 THR 26 6.300 -4.938 -2.413 290 2HG2 THR 26 3HG2 THR 26 7.365 -3.531 -2.341 291 3HG2 THR 26 1HG2 THR 26 5.972 -3.512 -3.416 292 QG2 THR 26 QG2 THR 26 6.546 -3.994 -2.723 293 H THR 27 HN THR 27 9.401 -4.072 -2.847 294 HA THR 27 HA THR 27 10.657 -5.461 -0.515 295 HB THR 27 HB THR 27 12.537 -3.659 -1.068 296 HG1 THR 27 1HG THR 27 11.218 -2.815 -2.853 297 1HG2 THR 27 3HG2 THR 27 12.496 -6.346 -1.372 298 2HG2 THR 27 1HG2 THR 27 12.531 -5.903 -3.086 299 3HG2 THR 27 2HG2 THR 27 13.816 -5.348 -1.996 300 QG2 THR 27 QG2 THR 27 12.948 -5.866 -2.151 301 H GLN 28 HN GLN 28 10.788 -4.277 1.334 302 HA GLN 28 HA GLN 28 8.801 -2.556 2.061 303 1HB GLN 28 2HB GLN 28 10.606 -3.762 3.487 304 2HB GLN 28 3HB GLN 28 11.577 -2.292 3.251 305 1HG GLN 28 2HG GLN 28 9.547 -0.983 4.132 306 2HG GLN 28 3HG GLN 28 8.816 -2.572 4.459 307 1HE2 GLN 28 2HE2 GLN 28 10.304 -1.369 7.633 308 2HE2 GLN 28 1HE2 GLN 28 9.076 -0.770 6.533 309 QB GLN 28 QB GLN 28 11.092 -3.027 3.369 310 QG GLN 28 QG GLN 28 9.182 -1.778 4.295 311 QE2 GLN 28 QE2 GLN 28 9.690 -1.069 7.083 312 H GLN 29 HN GLN 29 11.963 -1.607 0.715 313 HA GLN 29 HA GLN 29 11.820 1.124 0.909 314 1HB GLN 29 2HB GLN 29 13.314 1.240 -0.901 315 2HB GLN 29 3HB GLN 29 13.661 -0.278 -0.068 316 1HG GLN 29 2HG GLN 29 12.407 -1.469 -1.841 317 2HG GLN 29 3HG GLN 29 12.182 0.056 -2.724 318 1HE2 GLN 29 2HE2 GLN 29 15.418 0.257 -4.017 319 2HE2 GLN 29 1HE2 GLN 29 13.924 1.130 -3.699 320 QB GLN 29 QB GLN 29 13.488 0.481 -0.485 321 QG GLN 29 QG GLN 29 12.295 -0.707 -2.282 322 QE2 GLN 29 QE2 GLN 29 14.671 0.693 -3.858 323 H SER 30 HN SER 30 10.302 -0.853 -1.674 324 HA SER 30 HA SER 30 9.322 1.377 -3.172 325 1HB SER 30 2HB SER 30 8.400 -1.525 -3.058 326 2HB SER 30 3HB SER 30 7.914 -0.354 -4.295 327 HG SER 30 HG SER 30 9.918 -1.798 -4.576 328 QB SER 30 QB SER 30 8.157 -0.939 -3.676 329 H ILE 31 HN ILE 31 7.937 -0.567 -0.548 330 HA ILE 31 HA ILE 31 5.340 0.682 -0.597 331 HB ILE 31 HB ILE 31 6.741 -0.618 1.764 332 1HG1 ILE 31 2HG1 ILE 31 6.736 -2.231 -0.089 333 2HG1 ILE 31 3HG1 ILE 31 5.623 -2.683 1.196 334 1HG2 ILE 31 3HG2 ILE 31 3.812 -0.060 1.127 335 2HG2 ILE 31 1HG2 ILE 31 4.399 -1.073 2.468 336 3HG2 ILE 31 2HG2 ILE 31 4.789 0.664 2.406 337 1HD1 ILE 31 1HD1 ILE 31 4.785 -1.383 -1.432 338 2HD1 ILE 31 2HD1 ILE 31 4.681 -3.101 -1.032 339 3HD1 ILE 31 3HD1 ILE 31 3.697 -1.942 -0.136 340 QG1 ILE 31 QG1 ILE 31 6.178 -2.457 0.554 341 QG2 ILE 31 QG2 ILE 31 4.333 -0.157 2.000 342 QD1 ILE 31 QD1 ILE 31 4.387 -2.142 -0.866 343 H GLU 32 HN GLU 32 8.384 1.372 1.225 344 HA GLU 32 HA GLU 32 7.321 3.542 2.682 345 1HB GLU 32 2HB GLU 32 9.377 2.400 3.284 346 2HB GLU 32 3HB GLU 32 10.216 3.045 1.874 347 1HG GLU 32 2HG GLU 32 10.453 5.130 2.825 348 2HG GLU 32 3HG GLU 32 8.842 5.096 3.558 349 QB GLU 32 QB GLU 32 9.797 2.723 2.579 350 QG GLU 32 QG GLU 32 9.648 5.112 3.191 351 H GLN 33 HN GLN 33 9.299 3.586 -0.284 352 HA GLN 33 HA GLN 33 9.253 6.307 -0.894 353 1HB GLN 33 2HB GLN 33 9.178 3.886 -2.767 354 2HB GLN 33 3HB GLN 33 9.548 5.528 -3.285 355 1HG GLN 33 2HG GLN 33 11.239 3.776 -1.453 356 2HG GLN 33 3HG GLN 33 11.598 4.324 -3.074 357 1HE2 GLN 33 2HE2 GLN 33 12.758 6.522 0.071 358 2HE2 GLN 33 1HE2 GLN 33 12.197 4.873 0.199 359 QB GLN 33 QB GLN 33 9.363 4.707 -3.026 360 QG GLN 33 QG GLN 33 11.418 4.050 -2.264 361 QE2 GLN 33 QE2 GLN 33 12.477 5.697 0.135 362 H LEU 34 HN LEU 34 6.783 3.798 -1.674 363 HA LEU 34 HA LEU 34 5.030 5.666 -2.924 364 1HB LEU 34 2HB LEU 34 4.909 3.262 -3.309 365 2HB LEU 34 3HB LEU 34 4.428 2.990 -1.626 366 HG LEU 34 HG LEU 34 2.327 4.273 -1.991 367 1HD1 LEU 34 1HD1 LEU 34 3.550 4.691 -4.732 368 2HD1 LEU 34 2HD1 LEU 34 1.796 4.826 -4.473 369 3HD1 LEU 34 3HD1 LEU 34 2.887 5.928 -3.640 370 1HD2 LEU 34 2HD2 LEU 34 2.932 2.142 -4.049 371 2HD2 LEU 34 3HD2 LEU 34 2.387 1.883 -2.384 372 3HD2 LEU 34 1HD2 LEU 34 1.294 2.651 -3.557 373 QB LEU 34 QB LEU 34 4.668 3.126 -2.468 374 QD1 LEU 34 QD1 LEU 34 2.744 5.148 -4.281 375 QD2 LEU 34 QD2 LEU 34 2.204 2.226 -3.330 376 QQD LEU 34 QQD LEU 34 2.474 3.687 -3.806 377 H GLU 35 HN GLU 35 5.209 4.489 0.491 378 HA GLU 35 HA GLU 35 2.976 5.907 1.511 379 1HB GLU 35 2HB GLU 35 5.533 4.845 2.691 380 2HB GLU 35 3HB GLU 35 4.758 6.155 3.549 381 1HG GLU 35 2HG GLU 35 2.592 4.553 3.274 382 2HG GLU 35 3HG GLU 35 3.870 3.330 3.173 383 QB GLU 35 QB GLU 35 5.146 5.500 3.121 384 QG GLU 35 QG GLU 35 3.231 3.941 3.224 385 H ASN 36 HN ASN 36 6.319 7.015 0.828 386 HA ASN 36 HA ASN 36 5.794 9.678 1.814 387 1HB ASN 36 2HB ASN 36 7.896 9.181 -0.262 388 2HB ASN 36 3HB ASN 36 7.888 10.322 1.077 389 1HD2 ASN 36 2HD2 ASN 36 8.570 7.230 3.266 390 2HD2 ASN 36 1HD2 ASN 36 7.132 8.220 3.114 391 QB ASN 36 QB ASN 36 7.892 9.752 0.408 392 QD2 ASN 36 QD2 ASN 36 7.851 7.725 3.190 393 H GLY 37 HN GLY 37 4.413 8.212 -0.862 394 1HA GLY 37 1HA GLY 37 3.115 9.008 -2.527 395 2HA GLY 37 2HA GLY 37 3.178 10.594 -1.743 396 QA GLY 37 QA GLY 37 3.147 9.801 -2.135 397 H LYS 38 HN LYS 38 5.722 8.540 -3.221 398 HA LYS 38 HA LYS 38 6.711 10.846 -4.781 399 1HB LYS 38 2HB LYS 38 7.757 8.009 -4.489 400 2HB LYS 38 3HB LYS 38 8.545 9.354 -5.352 401 1HG LYS 38 2HG LYS 38 8.646 10.681 -3.261 402 2HG LYS 38 3HG LYS 38 7.778 9.406 -2.415 403 1HD LYS 38 2HD LYS 38 10.071 9.232 -1.829 404 2HD LYS 38 3HD LYS 38 9.620 7.827 -2.770 405 1HE LYS 38 2HE LYS 38 10.961 10.269 -4.058 406 2HE LYS 38 3HE LYS 38 11.900 9.040 -3.222 407 1HZ LYS 38 2HZ LYS 38 10.725 7.414 -4.716 408 2HZ LYS 38 3HZ LYS 38 10.362 8.710 -5.673 409 3HZ LYS 38 1HZ LYS 38 11.928 8.327 -5.354 410 QB LYS 38 QB LYS 38 8.151 8.681 -4.921 411 QG LYS 38 QG LYS 38 8.212 10.044 -2.838 412 QD LYS 38 QD LYS 38 9.845 8.529 -2.300 413 QE LYS 38 QE LYS 38 11.431 9.654 -3.640 414 QZ LYS 38 QZ LYS 38 11.005 8.150 -5.248 415 H THR 39 HN THR 39 4.330 8.504 -5.394 416 HA THR 39 HA THR 39 4.497 9.191 -8.210 417 HB THR 39 HB THR 39 5.685 6.849 -7.738 418 HG1 THR 39 1HG THR 39 5.400 7.550 -9.767 419 1HG2 THR 39 2HG2 THR 39 3.666 5.939 -6.495 420 2HG2 THR 39 3HG2 THR 39 2.798 5.939 -8.036 421 3HG2 THR 39 1HG2 THR 39 4.244 4.944 -7.850 422 QG2 THR 39 QG2 THR 39 3.569 5.608 -7.460 423 H LYS 40 HN LYS 40 2.497 8.625 -9.284 424 HA LYS 40 HA LYS 40 0.165 9.047 -7.489 425 1HB LYS 40 2HB LYS 40 -1.022 9.555 -9.602 426 2HB LYS 40 3HB LYS 40 0.275 10.672 -9.194 427 1HG LYS 40 2HG LYS 40 1.089 8.421 -10.994 428 2HG LYS 40 3HG LYS 40 -0.112 9.493 -11.666 429 1HD LYS 40 2HD LYS 40 2.492 10.518 -10.434 430 2HD LYS 40 3HD LYS 40 2.332 10.014 -12.120 431 1HE LYS 40 2HE LYS 40 0.173 11.754 -11.881 432 2HE LYS 40 3HE LYS 40 1.303 12.455 -10.722 433 1HZ LYS 40 2HZ LYS 40 2.872 12.062 -12.844 434 2HZ LYS 40 3HZ LYS 40 1.432 12.335 -13.590 435 3HZ LYS 40 1HZ LYS 40 2.048 13.453 -12.560 436 QB LYS 40 QB LYS 40 -0.373 10.113 -9.398 437 QG LYS 40 QG LYS 40 0.488 8.956 -11.329 438 QD LYS 40 QD LYS 40 2.412 10.266 -11.277 439 QE LYS 40 QE LYS 40 0.738 12.104 -11.301 440 QZ LYS 40 QZ LYS 40 2.118 12.617 -12.998 441 NH1 ARG 41 NH2 ARG 41 -2.276 3.179 -14.151 442 NH2 ARG 41 NH1 ARG 41 -3.625 1.303 -13.969 443 H ARG 41 HN ARG 41 1.510 6.704 -9.830 444 HA ARG 41 HA ARG 41 -0.511 4.744 -8.988 445 1HB ARG 41 2HB ARG 41 -1.326 6.122 -10.965 446 2HB ARG 41 3HB ARG 41 -0.147 5.258 -11.944 447 1HG ARG 41 2HG ARG 41 -2.287 3.935 -10.183 448 2HG ARG 41 3HG ARG 41 -2.536 4.393 -11.851 449 1HD ARG 41 2HD ARG 41 -0.308 2.871 -12.235 450 2HD ARG 41 3HD ARG 41 -0.807 2.204 -10.692 451 HE ARG 41 HE ARG 41 -2.450 1.038 -11.739 452 1HH1 ARG 41 2HH2 ARG 41 -1.577 3.779 -13.737 453 2HH1 ARG 41 1HH2 ARG 41 -2.656 3.418 -15.054 454 1HH2 ARG 41 2HH1 ARG 41 -3.947 0.496 -13.456 455 2HH2 ARG 41 1HH1 ARG 41 -4.040 1.491 -14.871 456 QB ARG 41 QB ARG 41 -0.737 5.690 -11.454 457 QG ARG 41 QG ARG 41 -2.411 4.164 -11.018 458 QD ARG 41 QD ARG 41 -0.558 2.537 -11.463 459 QH1 ARG 41 QH2 ARG 41 -2.117 3.599 -14.396 460 QH2 ARG 41 QH1 ARG 41 -3.993 0.993 -14.164 461 HA PRO 42 HA PRO 42 3.713 2.936 -9.395 462 1HB PRO 42 2HB PRO 42 3.364 1.003 -7.407 463 2HB PRO 42 3HB PRO 42 3.915 2.664 -7.116 464 1HG PRO 42 2HG PRO 42 1.224 1.466 -6.660 465 2HG PRO 42 3HG PRO 42 2.009 2.825 -5.814 466 1HD PRO 42 2HD PRO 42 0.043 3.070 -7.738 467 2HD PRO 42 3HD PRO 42 1.086 4.377 -7.178 468 QB PRO 42 QB PRO 42 3.639 1.834 -7.262 469 QG PRO 42 QG PRO 42 1.617 2.145 -6.237 470 QD PRO 42 QD PRO 42 0.565 3.724 -7.458 471 NH1 ARG 43 NH2 ARG 43 7.719 0.008 -14.521 472 NH2 ARG 43 NH1 ARG 43 6.821 1.696 -15.833 473 H ARG 43 HN ARG 43 4.401 0.592 -9.766 474 HA ARG 43 HA ARG 43 2.613 -0.624 -11.721 475 1HB ARG 43 2HB ARG 43 5.342 -1.382 -10.567 476 2HB ARG 43 3HB ARG 43 4.396 -2.500 -11.549 477 1HG ARG 43 2HG ARG 43 5.753 -1.512 -13.127 478 2HG ARG 43 3HG ARG 43 4.211 -0.685 -13.321 479 1HD ARG 43 2HD ARG 43 5.167 1.181 -11.826 480 2HD ARG 43 3HD ARG 43 6.736 0.400 -11.964 481 HE ARG 43 HE ARG 43 5.260 2.002 -13.894 482 1HH1 ARG 43 2HH2 ARG 43 7.695 -0.531 -13.669 483 2HH1 ARG 43 1HH2 ARG 43 8.412 -0.217 -15.219 484 1HH2 ARG 43 2HH1 ARG 43 6.140 2.427 -15.978 485 2HH2 ARG 43 1HH1 ARG 43 7.483 1.509 -16.570 486 QB ARG 43 QB ARG 43 4.868 -1.941 -11.058 487 QG ARG 43 QG ARG 43 4.982 -1.098 -13.223 488 QD ARG 43 QD ARG 43 5.951 0.791 -11.895 489 QH1 ARG 43 QH2 ARG 43 8.053 -0.374 -14.443 490 QH2 ARG 43 QH1 ARG 43 6.811 1.968 -16.275 491 H PHE 44 HN PHE 44 3.443 -1.155 -8.351 492 HA PHE 44 HA PHE 44 1.808 -3.615 -8.215 493 1HB PHE 44 2HB PHE 44 2.768 -3.699 -5.903 494 2HB PHE 44 3HB PHE 44 3.955 -3.756 -7.176 495 HD1 PHE 44 1HD PHE 44 5.529 -1.901 -7.533 496 HD2 PHE 44 2HD PHE 44 2.562 -1.737 -4.412 497 HE1 PHE 44 1HE PHE 44 6.581 0.162 -6.638 498 HE2 PHE 44 2HE PHE 44 3.780 0.144 -3.366 499 HZ PHE 44 HZ PHE 44 5.693 1.204 -4.554 500 QB PHE 44 QB PHE 44 3.362 -3.727 -6.539 501 QR PHE 44 QR PHE 44 4.613 -0.833 -5.487 502 H LEU 45 HN LEU 45 0.628 -0.857 -8.678 503 HA LEU 45 HA LEU 45 -0.750 -0.170 -6.316 504 1HB LEU 45 2HB LEU 45 -0.491 1.046 -8.578 505 2HB LEU 45 3HB LEU 45 -1.926 0.195 -9.104 506 HG LEU 45 HG LEU 45 -2.011 2.642 -8.180 507 1HD1 LEU 45 3HD1 LEU 45 -3.943 0.468 -7.567 508 2HD1 LEU 45 1HD1 LEU 45 -4.294 2.170 -7.207 509 3HD1 LEU 45 2HD1 LEU 45 -3.912 1.680 -8.879 510 1HD2 LEU 45 1HD2 LEU 45 -0.897 2.096 -5.927 511 2HD2 LEU 45 2HD2 LEU 45 -2.429 2.971 -5.871 512 3HD2 LEU 45 3HD2 LEU 45 -2.397 1.226 -5.551 513 QB LEU 45 QB LEU 45 -1.209 0.620 -8.841 514 QD1 LEU 45 QD1 LEU 45 -4.050 1.439 -7.884 515 QD2 LEU 45 QD2 LEU 45 -1.908 2.098 -5.783 516 QQD LEU 45 QQD LEU 45 -2.978 1.769 -6.834 517 HA PRO 46 HA PRO 46 -4.191 -3.283 -7.513 518 1HB PRO 46 2HB PRO 46 -3.541 -5.415 -9.145 519 2HB PRO 46 3HB PRO 46 -4.346 -3.921 -9.685 520 1HG PRO 46 2HG PRO 46 -1.526 -4.761 -10.109 521 2HG PRO 46 3HG PRO 46 -2.533 -3.654 -11.074 522 1HD PRO 46 2HD PRO 46 -0.549 -3.012 -9.184 523 2HD PRO 46 3HD PRO 46 -1.660 -1.850 -9.949 524 QB PRO 46 QB PRO 46 -3.944 -4.668 -9.415 525 QG PRO 46 QG PRO 46 -2.029 -4.207 -10.591 526 QD PRO 46 QD PRO 46 -1.105 -2.431 -9.566 527 H GLU 47 HN GLU 47 -0.859 -4.583 -7.524 528 HA GLU 47 HA GLU 47 -1.362 -6.846 -5.938 529 1HB GLU 47 2HB GLU 47 1.159 -5.151 -6.044 530 2HB GLU 47 3HB GLU 47 1.046 -6.834 -5.521 531 1HG GLU 47 2HG GLU 47 0.306 -7.501 -7.786 532 2HG GLU 47 3HG GLU 47 0.437 -5.830 -8.356 533 QB GLU 47 QB GLU 47 1.103 -5.992 -5.783 534 QG GLU 47 QG GLU 47 0.372 -6.666 -8.071 535 H LEU 48 HN LEU 48 -0.504 -3.496 -4.970 536 HA LEU 48 HA LEU 48 -0.591 -3.986 -2.158 537 1HB LEU 48 2HB LEU 48 0.626 -2.134 -3.130 538 2HB LEU 48 3HB LEU 48 -0.864 -1.436 -3.777 539 HG LEU 48 HG LEU 48 -1.657 -1.008 -1.440 540 1HD1 LEU 48 2HD1 LEU 48 -0.440 -2.825 -0.295 541 2HD1 LEU 48 3HD1 LEU 48 1.086 -1.932 -0.552 542 3HD1 LEU 48 1HD1 LEU 48 -0.215 -1.236 0.439 543 1HD2 LEU 48 3HD2 LEU 48 1.112 0.020 -2.165 544 2HD2 LEU 48 1HD2 LEU 48 -0.438 0.772 -2.597 545 3HD2 LEU 48 2HD2 LEU 48 0.089 0.729 -0.903 546 QB LEU 48 QB LEU 48 -0.119 -1.786 -3.453 547 QD1 LEU 48 QD1 LEU 48 0.144 -1.998 -0.136 548 QD2 LEU 48 QD2 LEU 48 0.255 0.507 -1.889 549 QQD LEU 48 QQD LEU 48 0.199 -0.746 -1.012 550 H ALA 49 HN ALA 49 -3.069 -2.825 -4.473 551 HA ALA 49 HA ALA 49 -5.050 -2.338 -2.525 552 1HB ALA 49 3HB ALA 49 -4.955 -2.232 -5.329 553 2HB ALA 49 1HB ALA 49 -6.201 -3.432 -4.994 554 3HB ALA 49 2HB ALA 49 -6.311 -1.809 -4.286 555 QB ALA 49 QB ALA 49 -5.823 -2.491 -4.870 556 H SER 50 HN SER 50 -4.506 -5.319 -4.435 557 HA SER 50 HA SER 50 -6.343 -6.950 -2.998 558 1HB SER 50 2HB SER 50 -4.004 -7.430 -4.837 559 2HB SER 50 3HB SER 50 -4.575 -8.786 -3.859 560 HG SER 50 HG SER 50 -6.651 -8.463 -4.694 561 QB SER 50 QB SER 50 -4.289 -8.108 -4.348 562 H ALA 51 HN ALA 51 -2.856 -6.307 -2.398 563 HA ALA 51 HA ALA 51 -2.366 -8.168 -0.408 564 1HB ALA 51 3HB ALA 51 -1.364 -5.297 -0.556 565 2HB ALA 51 1HB ALA 51 -0.681 -6.537 0.458 566 3HB ALA 51 2HB ALA 51 -0.597 -6.723 -1.300 567 QB ALA 51 QB ALA 51 -0.880 -6.186 -0.466 568 H LEU 52 HN LEU 52 -3.796 -4.893 -0.034 569 HA LEU 52 HA LEU 52 -4.364 -5.458 2.790 570 1HB LEU 52 2HB LEU 52 -4.589 -3.069 0.980 571 2HB LEU 52 3HB LEU 52 -5.839 -3.218 2.200 572 HG LEU 52 HG LEU 52 -4.383 -1.909 3.255 573 1HD1 LEU 52 2HD1 LEU 52 -4.770 -4.143 4.567 574 2HD1 LEU 52 3HD1 LEU 52 -3.076 -4.496 4.207 575 3HD1 LEU 52 1HD1 LEU 52 -3.473 -3.073 5.152 576 1HD2 LEU 52 3HD2 LEU 52 -2.103 -3.399 2.055 577 2HD2 LEU 52 1HD2 LEU 52 -2.599 -1.701 1.815 578 3HD2 LEU 52 2HD2 LEU 52 -1.923 -2.197 3.373 579 QB LEU 52 QB LEU 52 -5.214 -3.143 1.589 580 QD1 LEU 52 QD1 LEU 52 -3.773 -3.904 4.642 581 QD2 LEU 52 QD2 LEU 52 -2.208 -2.432 2.414 582 QQD LEU 52 QQD LEU 52 -2.991 -3.168 3.528 583 H GLY 53 HN GLY 53 -6.153 -5.521 -0.220 584 1HA GLY 53 1HA GLY 53 -8.028 -6.928 -0.542 585 2HA GLY 53 2HA GLY 53 -8.456 -6.817 1.170 586 QA GLY 53 QA GLY 53 -8.242 -6.872 0.314 587 H VAL 54 HN VAL 54 -7.594 -4.239 -1.165 588 HA VAL 54 HA VAL 54 -10.339 -3.095 -1.063 589 HB VAL 54 HB VAL 54 -9.220 -0.825 -1.051 590 1HG1 VAL 54 2HG1 VAL 54 -10.349 -1.734 0.936 591 2HG1 VAL 54 3HG1 VAL 54 -8.820 -2.466 1.477 592 3HG1 VAL 54 1HG1 VAL 54 -8.977 -0.700 1.360 593 1HG2 VAL 54 2HG2 VAL 54 -6.766 -2.411 -0.144 594 2HG2 VAL 54 3HG2 VAL 54 -6.945 -1.488 -1.657 595 3HG2 VAL 54 1HG2 VAL 54 -6.925 -0.667 -0.095 596 QG1 VAL 54 QG1 VAL 54 -9.382 -1.633 1.258 597 QG2 VAL 54 QG2 VAL 54 -6.878 -1.522 -0.632 598 QQG VAL 54 QQG VAL 54 -8.130 -1.578 0.313 599 H SER 55 HN SER 55 -10.577 -1.497 -2.882 600 HA SER 55 HA SER 55 -9.596 -2.764 -5.338 601 1HB SER 55 2HB SER 55 -11.215 -1.331 -6.451 602 2HB SER 55 3HB SER 55 -11.971 -2.086 -5.040 603 HG SER 55 HG SER 55 -11.216 -0.001 -3.951 604 QB SER 55 QB SER 55 -11.593 -1.708 -5.745 605 H VAL 56 HN VAL 56 -8.434 -1.715 -6.980 606 HA VAL 56 HA VAL 56 -6.436 0.207 -6.368 607 HB VAL 56 HB VAL 56 -7.783 -0.816 -8.917 608 1HG1 VAL 56 1HG1 VAL 56 -6.052 1.590 -8.743 609 2HG1 VAL 56 2HG1 VAL 56 -5.738 0.447 -10.062 610 3HG1 VAL 56 3HG1 VAL 56 -7.337 1.171 -9.863 611 1HG2 VAL 56 2HG2 VAL 56 -5.182 -1.265 -7.478 612 2HG2 VAL 56 3HG2 VAL 56 -6.355 -2.429 -8.094 613 3HG2 VAL 56 1HG2 VAL 56 -5.282 -1.577 -9.219 614 QG1 VAL 56 QG1 VAL 56 -6.375 1.069 -9.556 615 QG2 VAL 56 QG2 VAL 56 -5.606 -1.757 -8.263 616 QQG VAL 56 QQG VAL 56 -5.990 -0.344 -8.910 617 H ASP 57 HN ASP 57 -9.715 0.694 -7.693 618 HA ASP 57 HA ASP 57 -9.708 3.444 -8.101 619 1HB ASP 57 2HB ASP 57 -11.706 2.209 -8.577 620 2HB ASP 57 3HB ASP 57 -11.831 1.616 -6.906 621 QB ASP 57 QB ASP 57 -11.769 1.912 -7.742 622 CH2 TRP 58 CH2 TRP 58 -7.836 2.345 2.424 623 H TRP 58 HN TRP 58 -10.060 1.665 -5.017 624 HA TRP 58 HA TRP 58 -10.365 4.085 -3.457 625 1HB TRP 58 2HB TRP 58 -11.287 1.917 -2.748 626 2HB TRP 58 3HB TRP 58 -9.650 1.287 -2.530 627 HD1 TRP 58 HD1 TRP 58 -11.949 4.025 -1.138 628 HE1 TRP 58 HE1 TRP 58 -11.362 4.508 1.291 629 HE3 TRP 58 HE3 TRP 58 -7.624 1.362 -0.841 630 HZ2 TRP 58 HZ2 TRP 58 -9.356 3.672 3.207 631 HZ3 TRP 58 HZ3 TRP 58 -6.377 1.223 1.316 632 HH2 TRP 58 HH2 TRP 58 -7.270 2.296 3.344 633 QB TRP 58 QB TRP 58 -10.468 1.602 -2.639 634 H LEU 59 HN LEU 59 -7.589 1.829 -4.068 635 HA LEU 59 HA LEU 59 -5.803 3.231 -2.370 636 1HB LEU 59 2HB LEU 59 -5.550 1.335 -4.611 637 2HB LEU 59 3HB LEU 59 -4.190 2.424 -4.511 638 HG LEU 59 HG LEU 59 -5.294 0.705 -2.248 639 1HD1 LEU 59 1HD1 LEU 59 -4.040 -0.414 -4.174 640 2HD1 LEU 59 2HD1 LEU 59 -2.587 0.414 -3.580 641 3HD1 LEU 59 3HD1 LEU 59 -3.467 -0.691 -2.518 642 1HD2 LEU 59 3HD2 LEU 59 -3.467 3.005 -2.112 643 2HD2 LEU 59 1HD2 LEU 59 -4.166 2.026 -0.800 644 3HD2 LEU 59 2HD2 LEU 59 -2.659 1.531 -1.573 645 QB LEU 59 QB LEU 59 -4.870 1.879 -4.561 646 QD1 LEU 59 QD1 LEU 59 -3.365 -0.230 -3.424 647 QD2 LEU 59 QD2 LEU 59 -3.430 2.187 -1.496 648 QQD LEU 59 QQD LEU 59 -3.398 0.978 -2.460 649 H LEU 60 HN LEU 60 -6.690 3.932 -5.756 650 HA LEU 60 HA LEU 60 -5.046 6.294 -5.942 651 1HB LEU 60 2HB LEU 60 -7.330 5.125 -7.542 652 2HB LEU 60 3HB LEU 60 -6.735 6.743 -7.930 653 HG LEU 60 HG LEU 60 -4.831 4.399 -7.670 654 1HD1 LEU 60 2HD1 LEU 60 -6.534 3.808 -9.384 655 2HD1 LEU 60 3HD1 LEU 60 -6.202 5.330 -10.232 656 3HD1 LEU 60 1HD1 LEU 60 -4.934 4.092 -10.099 657 1HD2 LEU 60 2HD2 LEU 60 -4.070 6.928 -7.763 658 2HD2 LEU 60 3HD2 LEU 60 -3.286 5.752 -8.822 659 3HD2 LEU 60 1HD2 LEU 60 -4.534 6.835 -9.462 660 QB LEU 60 QB LEU 60 -7.033 5.935 -7.737 661 QD1 LEU 60 QD1 LEU 60 -5.889 4.410 -9.905 662 QD2 LEU 60 QD2 LEU 60 -3.963 6.505 -8.683 663 QQD LEU 60 QQD LEU 60 -4.926 5.457 -9.294 664 H ASN 61 HN ASN 61 -8.550 5.926 -5.259 665 HA ASN 61 HA ASN 61 -8.913 8.796 -4.818 666 1HB ASN 61 2HB ASN 61 -10.749 6.379 -4.490 667 2HB ASN 61 3HB ASN 61 -11.193 7.998 -3.961 668 1HD2 ASN 61 2HD2 ASN 61 -11.108 7.141 -7.959 669 2HD2 ASN 61 1HD2 ASN 61 -10.305 6.083 -6.816 670 QB ASN 61 QB ASN 61 -10.971 7.189 -4.226 671 QD2 ASN 61 QD2 ASN 61 -10.706 6.612 -7.387 672 H GLY 62 HN GLY 62 -9.472 5.975 -2.688 673 1HA GLY 62 1HA GLY 62 -8.580 5.762 -0.558 674 2HA GLY 62 2HA GLY 62 -8.528 7.543 -0.363 675 QA GLY 62 QA GLY 62 -8.554 6.653 -0.461 676 H THR 63 HN THR 63 -11.436 6.956 -1.709 677 HA THR 63 HA THR 63 -12.911 6.290 0.743 678 HB THR 63 HB THR 63 -14.171 8.469 0.324 679 HG1 THR 63 1HG THR 63 -12.853 10.101 -0.715 680 1HG2 THR 63 2HG2 THR 63 -12.430 8.099 2.196 681 2HG2 THR 63 3HG2 THR 63 -11.284 8.981 1.162 682 3HG2 THR 63 1HG2 THR 63 -12.748 9.782 1.739 683 QG2 THR 63 QG2 THR 63 -12.154 8.954 1.699 684 H SER 64 HN SER 64 -14.347 4.783 -0.008 685 HA SER 64 HA SER 64 -15.786 5.254 -2.485 686 1HB SER 64 2HB SER 64 -13.747 3.881 -3.208 687 2HB SER 64 3HB SER 64 -14.315 2.610 -2.094 688 HG SER 64 HG SER 64 -15.299 3.422 -4.540 689 QB SER 64 QB SER 64 -14.031 3.246 -2.651 690 H ASP 65 HN ASP 65 -17.425 3.385 -2.612 691 HA ASP 65 HA ASP 65 -18.810 3.296 -0.017 692 1HB ASP 65 2HB ASP 65 -20.603 2.118 -1.416 693 2HB ASP 65 3HB ASP 65 -20.253 3.809 -1.790 694 QB ASP 65 QB ASP 65 -20.428 2.964 -1.603 695 H SER 66 HN SER 66 -19.774 1.243 0.659 696 HA SER 66 HA SER 66 -17.820 -1.038 0.518 697 1HB SER 66 2HB SER 66 -19.569 0.016 2.760 698 2HB SER 66 3HB SER 66 -18.974 -1.650 2.736 699 HG SER 66 HG SER 66 -17.188 0.479 2.286 700 QB SER 66 QB SER 66 -19.271 -0.818 2.748 701 H ASN 67 HN ASN 67 -18.735 -1.938 -1.317 702 HA ASN 67 HA ASN 67 -21.420 -3.222 -0.928 703 1HB ASN 67 2HB ASN 67 -20.158 -1.990 -3.409 704 2HB ASN 67 3HB ASN 67 -21.475 -3.169 -3.484 705 1HD2 ASN 67 2HD2 ASN 67 -23.947 -0.938 -2.117 706 2HD2 ASN 67 1HD2 ASN 67 -23.504 -2.639 -2.155 707 QB ASN 67 QB ASN 67 -20.816 -2.579 -3.446 708 QD2 ASN 67 QD2 ASN 67 -23.726 -1.788 -2.136 709 H VAL 68 HN VAL 68 -20.547 -5.114 -0.028 710 HA VAL 68 HA VAL 68 -19.400 -6.924 -1.962 711 HB VAL 68 HB VAL 68 -17.434 -5.730 -0.929 712 1HG1 VAL 68 3HG1 VAL 68 -18.384 -5.483 1.383 713 2HG1 VAL 68 1HG1 VAL 68 -18.142 -7.223 1.630 714 3HG1 VAL 68 2HG1 VAL 68 -16.750 -6.166 1.340 715 1HG2 VAL 68 3HG2 VAL 68 -17.629 -8.365 -1.650 716 2HG2 VAL 68 1HG2 VAL 68 -16.140 -7.524 -1.213 717 3HG2 VAL 68 2HG2 VAL 68 -16.986 -8.504 -0.004 718 QG1 VAL 68 QG1 VAL 68 -17.759 -6.290 1.451 719 QG2 VAL 68 QG2 VAL 68 -16.919 -8.131 -0.955 720 QQG VAL 68 QQG VAL 68 -17.339 -7.211 0.248 721 NH1 ARG 69 NH2 ARG 69 -25.841 -9.161 -0.803 722 NH2 ARG 69 NH1 ARG 69 -27.652 -10.028 0.353 723 H ARG 69 HN ARG 69 -19.406 -9.239 -0.885 724 HA ARG 69 HA ARG 69 -21.109 -9.602 1.359 725 1HB ARG 69 2HB ARG 69 -22.674 -9.103 -0.749 726 2HB ARG 69 3HB ARG 69 -22.150 -10.696 -1.273 727 1HG ARG 69 2HG ARG 69 -24.042 -11.272 -0.117 728 2HG ARG 69 3HG ARG 69 -22.860 -11.456 1.164 729 1HD ARG 69 2HD ARG 69 -23.747 -9.792 2.411 730 2HD ARG 69 3HD ARG 69 -23.888 -8.671 1.078 731 HE ARG 69 HE ARG 69 -25.949 -10.353 2.197 732 1HH1 ARG 69 2HH2 ARG 69 -24.849 -8.972 -0.828 733 2HH1 ARG 69 1HH2 ARG 69 -26.397 -8.960 -1.619 734 1HH2 ARG 69 2HH1 ARG 69 -28.043 -10.464 1.176 735 2HH2 ARG 69 1HH1 ARG 69 -28.259 -9.870 -0.437 736 QB ARG 69 QB ARG 69 -22.413 -9.900 -1.011 737 QG ARG 69 QG ARG 69 -23.452 -11.364 0.523 738 QD ARG 69 QD ARG 69 -23.818 -9.232 1.744 739 QH1 ARG 69 QH2 ARG 69 -25.623 -8.966 -1.224 740 QH2 ARG 69 QH1 ARG 69 -28.151 -10.167 0.370 Start of MODEL 3 Raw file had 740 H/Q atoms Start of MODEL 3 1 H SER 1 HN SER 1 -5.269 10.859 2.656 2 HA SER 1 HA SER 1 -3.493 11.132 1.292 3 1HB SER 1 2HB SER 1 -1.933 10.860 3.906 4 2HB SER 1 3HB SER 1 -1.120 10.946 2.341 5 HG SER 1 HG SER 1 -2.727 12.933 3.554 6 QB SER 1 QB SER 1 -1.527 10.903 3.124 7 H ILE 2 HN ILE 2 -1.701 9.707 0.235 8 HA ILE 2 HA ILE 2 -2.694 7.099 -0.191 9 HB ILE 2 HB ILE 2 0.109 8.176 -0.626 10 1HG1 ILE 2 2HG1 ILE 2 -2.295 7.954 -2.506 11 2HG1 ILE 2 3HG1 ILE 2 -1.695 9.451 -1.788 12 1HG2 ILE 2 2HG2 ILE 2 -1.299 5.666 -1.647 13 2HG2 ILE 2 3HG2 ILE 2 0.211 6.308 -2.321 14 3HG2 ILE 2 1HG2 ILE 2 0.174 5.745 -0.654 15 1HD1 ILE 2 1HD1 ILE 2 0.587 8.814 -2.913 16 2HD1 ILE 2 2HD1 ILE 2 -0.438 7.803 -3.959 17 3HD1 ILE 2 3HD1 ILE 2 -0.718 9.548 -3.861 18 QG1 ILE 2 QG1 ILE 2 -1.994 8.701 -2.147 19 QG2 ILE 2 QG2 ILE 2 -0.305 5.907 -1.541 20 QD1 ILE 2 QD1 ILE 2 -0.190 8.721 -3.578 21 H SER 3 HN SER 3 0.115 8.156 1.815 22 HA SER 3 HA SER 3 0.739 5.746 3.023 23 1HB SER 3 2HB SER 3 1.411 7.438 4.946 24 2HB SER 3 3HB SER 3 2.167 7.586 3.362 25 HG SER 3 HG SER 3 0.526 9.344 4.606 26 QB SER 3 QB SER 3 1.790 7.512 4.154 27 H SER 4 HN SER 4 -1.938 8.001 3.787 28 HA SER 4 HA SER 4 -2.362 6.792 6.394 29 1HB SER 4 2HB SER 4 -4.270 8.071 6.676 30 2HB SER 4 3HB SER 4 -3.085 9.120 5.882 31 HG SER 4 HG SER 4 -5.395 7.850 4.800 32 QB SER 4 QB SER 4 -3.677 8.595 6.280 33 NH1 ARG 5 NH2 ARG 5 -5.120 8.559 -1.416 34 NH2 ARG 5 NH1 ARG 5 -5.840 7.166 -3.097 35 H ARG 5 HN ARG 5 -3.843 6.397 3.104 36 HA ARG 5 HA ARG 5 -5.592 4.304 3.856 37 1HB ARG 5 2HB ARG 5 -4.095 4.681 1.245 38 2HB ARG 5 3HB ARG 5 -5.209 3.477 1.431 39 1HG ARG 5 2HG ARG 5 -6.888 4.920 0.875 40 2HG ARG 5 3HG ARG 5 -6.550 5.833 2.338 41 1HD ARG 5 2HD ARG 5 -6.298 7.473 0.803 42 2HD ARG 5 3HD ARG 5 -4.630 6.864 0.843 43 HE ARG 5 HE ARG 5 -6.081 5.486 -1.199 44 1HH1 ARG 5 2HH2 ARG 5 -4.874 8.694 -0.452 45 2HH1 ARG 5 1HH2 ARG 5 -5.012 9.312 -2.080 46 1HH2 ARG 5 2HH1 ARG 5 -5.861 6.227 -3.482 47 2HH2 ARG 5 1HH1 ARG 5 -5.966 7.921 -3.762 48 QB ARG 5 QB ARG 5 -4.653 4.079 1.338 49 QG ARG 5 QG ARG 5 -6.719 5.377 1.606 50 QD ARG 5 QD ARG 5 -5.464 7.169 0.823 51 QH1 ARG 5 QH2 ARG 5 -4.943 9.002 -1.266 52 QH2 ARG 5 QH1 ARG 5 -5.914 7.074 -3.622 53 H VAL 6 HN VAL 6 -2.189 3.987 2.630 54 HA VAL 6 HA VAL 6 -2.134 1.178 2.869 55 HB VAL 6 HB VAL 6 0.266 3.037 3.172 56 1HG1 VAL 6 2HG1 VAL 6 0.040 0.123 2.301 57 2HG1 VAL 6 3HG1 VAL 6 1.518 1.098 2.252 58 3HG1 VAL 6 1HG1 VAL 6 0.780 0.710 3.805 59 1HG2 VAL 6 2HG2 VAL 6 -1.237 2.023 0.742 60 2HG2 VAL 6 3HG2 VAL 6 -0.677 3.657 1.089 61 3HG2 VAL 6 1HG2 VAL 6 0.494 2.424 0.653 62 QG1 VAL 6 QG1 VAL 6 0.779 0.645 2.786 63 QG2 VAL 6 QG2 VAL 6 -0.474 2.701 0.828 64 QQG VAL 6 QQG VAL 6 0.153 1.673 1.807 65 H LYS 7 HN LYS 7 -0.919 3.598 5.228 66 HA LYS 7 HA LYS 7 -0.089 1.689 7.102 67 1HB LYS 7 2HB LYS 7 0.598 4.126 6.875 68 2HB LYS 7 3HB LYS 7 -0.854 4.535 7.798 69 1HG LYS 7 2HG LYS 7 0.565 2.397 9.161 70 2HG LYS 7 3HG LYS 7 1.760 3.596 8.681 71 1HD LYS 7 2HD LYS 7 -0.827 4.259 10.157 72 2HD LYS 7 3HD LYS 7 0.661 3.873 11.013 73 1HE LYS 7 2HE LYS 7 0.638 6.094 8.936 74 2HE LYS 7 3HE LYS 7 -0.014 6.384 10.553 75 1HZ LYS 7 1HZ LYS 7 2.716 5.403 10.074 76 2HZ LYS 7 2HZ LYS 7 2.319 6.976 10.330 77 3HZ LYS 7 3HZ LYS 7 2.060 5.870 11.511 78 QB LYS 7 QB LYS 7 -0.128 4.330 7.336 79 QG LYS 7 QG LYS 7 1.163 2.997 8.921 80 QD LYS 7 QD LYS 7 -0.083 4.066 10.584 81 QE LYS 7 QE LYS 7 0.312 6.239 9.744 82 QZ LYS 7 QZ LYS 7 2.365 6.083 10.638 83 H SER 8 HN SER 8 -3.156 3.678 7.029 84 HA SER 8 HA SER 8 -4.394 2.748 9.354 85 1HB SER 8 2HB SER 8 -5.597 3.405 6.627 86 2HB SER 8 3HB SER 8 -6.556 3.100 8.072 87 HG SER 8 HG SER 8 -5.556 4.853 9.087 88 QB SER 8 QB SER 8 -6.077 3.252 7.349 89 H LYS 9 HN LYS 9 -4.464 1.243 6.055 90 HA LYS 9 HA LYS 9 -6.104 -0.912 7.003 91 1HB LYS 9 2HB LYS 9 -5.555 -0.042 4.520 92 2HB LYS 9 3HB LYS 9 -4.277 -1.250 4.643 93 1HG LYS 9 2HG LYS 9 -6.208 -2.338 3.697 94 2HG LYS 9 3HG LYS 9 -6.094 -2.908 5.363 95 1HD LYS 9 2HD LYS 9 -7.751 -0.654 5.628 96 2HD LYS 9 3HD LYS 9 -8.078 -1.115 3.990 97 1HE LYS 9 2HE LYS 9 -9.716 -2.201 5.312 98 2HE LYS 9 3HE LYS 9 -8.601 -3.476 4.785 99 1HZ LYS 9 2HZ LYS 9 -8.518 -2.109 7.396 100 2HZ LYS 9 3HZ LYS 9 -9.239 -3.545 7.151 101 3HZ LYS 9 1HZ LYS 9 -7.609 -3.414 6.979 102 QB LYS 9 QB LYS 9 -4.916 -0.646 4.581 103 QG LYS 9 QG LYS 9 -6.151 -2.623 4.530 104 QD LYS 9 QD LYS 9 -7.914 -0.885 4.809 105 QE LYS 9 QE LYS 9 -9.159 -2.839 5.048 106 QZ LYS 9 QZ LYS 9 -8.456 -3.023 7.176 107 NH1 ARG 10 NH2 ARG 10 2.990 -1.058 10.024 108 NH2 ARG 10 NH1 ARG 10 3.815 0.899 9.094 109 H ARG 10 HN ARG 10 -2.578 -0.597 6.478 110 HA ARG 10 HA ARG 10 -1.763 -3.120 7.325 111 1HB ARG 10 2HB ARG 10 -0.294 -1.498 6.282 112 2HB ARG 10 3HB ARG 10 -0.391 -0.432 7.696 113 1HG ARG 10 2HG ARG 10 0.718 -1.933 9.095 114 2HG ARG 10 3HG ARG 10 0.545 -3.265 7.949 115 1HD ARG 10 2HD ARG 10 2.750 -2.722 7.733 116 2HD ARG 10 3HD ARG 10 2.023 -2.009 6.316 117 HE ARG 10 HE ARG 10 3.011 -0.061 6.950 118 1HH1 ARG 10 2HH2 ARG 10 2.558 -1.981 9.923 119 2HH1 ARG 10 1HH2 ARG 10 3.295 -0.795 10.949 120 1HH2 ARG 10 2HH1 ARG 10 3.951 1.506 8.293 121 2HH2 ARG 10 1HH1 ARG 10 4.227 1.169 9.975 122 QB ARG 10 QB ARG 10 -0.343 -0.966 6.989 123 QG ARG 10 QG ARG 10 0.632 -2.598 8.522 124 QD ARG 10 QD ARG 10 2.386 -2.366 7.024 125 QH1 ARG 10 QH2 ARG 10 2.926 -1.388 10.435 126 QH2 ARG 10 QH1 ARG 10 4.090 1.337 9.135 127 H ILE 11 HN ILE 11 -2.713 -0.342 9.376 128 HA ILE 11 HA ILE 11 -2.019 -1.569 11.891 129 HB ILE 11 HB ILE 11 -3.696 0.779 11.032 130 1HG1 ILE 11 2HG1 ILE 11 -2.389 1.785 12.944 131 2HG1 ILE 11 3HG1 ILE 11 -1.519 0.257 13.111 132 1HG2 ILE 11 2HG2 ILE 11 -3.977 -0.492 13.782 133 2HG2 ILE 11 3HG2 ILE 11 -4.481 1.153 13.363 134 3HG2 ILE 11 1HG2 ILE 11 -5.283 -0.205 12.608 135 1HD1 ILE 11 1HD1 ILE 11 -0.717 0.566 10.724 136 2HD1 ILE 11 2HD1 ILE 11 -1.590 2.124 10.717 137 3HD1 ILE 11 3HD1 ILE 11 -0.224 1.868 11.819 138 QG1 ILE 11 QG1 ILE 11 -1.953 1.021 13.027 139 QG2 ILE 11 QG2 ILE 11 -4.580 0.152 13.251 140 QD1 ILE 11 QD1 ILE 11 -0.844 1.519 11.087 141 H GLN 12 HN GLN 12 -5.149 -1.285 10.189 142 HA GLN 12 HA GLN 12 -6.646 -2.907 11.964 143 1HB GLN 12 2HB GLN 12 -6.878 -2.306 9.015 144 2HB GLN 12 3HB GLN 12 -8.034 -3.396 9.813 145 1HG GLN 12 2HG GLN 12 -8.827 -1.703 11.270 146 2HG GLN 12 3HG GLN 12 -7.464 -0.632 10.928 147 1HE2 GLN 12 2HE2 GLN 12 -9.335 1.011 8.419 148 2HE2 GLN 12 1HE2 GLN 12 -8.184 1.125 9.739 149 QB GLN 12 QB GLN 12 -7.457 -2.852 9.414 150 QG GLN 12 QG GLN 12 -8.146 -1.168 11.099 151 QE2 GLN 12 QE2 GLN 12 -8.760 1.068 9.079 152 H LEU 13 HN LEU 13 -4.597 -3.921 9.226 153 HA LEU 13 HA LEU 13 -5.140 -6.772 9.598 154 1HB LEU 13 2HB LEU 13 -3.083 -5.158 8.075 155 2HB LEU 13 3HB LEU 13 -3.006 -6.916 8.142 156 HG LEU 13 HG LEU 13 -5.717 -5.837 7.518 157 1HD1 LEU 13 3HD1 LEU 13 -4.181 -4.288 6.259 158 2HD1 LEU 13 1HD1 LEU 13 -3.575 -5.689 5.371 159 3HD1 LEU 13 2HD1 LEU 13 -5.293 -5.227 5.278 160 1HD2 LEU 13 3HD2 LEU 13 -4.890 -8.303 7.498 161 2HD2 LEU 13 1HD2 LEU 13 -5.863 -7.743 6.126 162 3HD2 LEU 13 2HD2 LEU 13 -4.100 -7.894 5.969 163 QB LEU 13 QB LEU 13 -3.045 -6.037 8.109 164 QD1 LEU 13 QD1 LEU 13 -4.350 -5.068 5.636 165 QD2 LEU 13 QD2 LEU 13 -4.950 -7.980 6.532 166 QQD LEU 13 QQD LEU 13 -4.650 -6.524 6.084 167 H GLY 14 HN GLY 14 -2.660 -4.493 10.765 168 1HA GLY 14 1HA GLY 14 -1.370 -4.630 12.654 169 2HA GLY 14 2HA GLY 14 -1.970 -6.266 12.978 170 QA GLY 14 QA GLY 14 -1.670 -5.448 12.816 171 H LEU 15 HN LEU 15 -0.172 -4.640 10.292 172 HA LEU 15 HA LEU 15 1.947 -6.768 10.476 173 1HB LEU 15 2HB LEU 15 0.615 -5.656 7.979 174 2HB LEU 15 3HB LEU 15 1.998 -6.748 7.969 175 HG LEU 15 HG LEU 15 -0.670 -7.512 9.230 176 1HD1 LEU 15 3HD1 LEU 15 -0.957 -6.957 6.819 177 2HD1 LEU 15 1HD1 LEU 15 0.288 -8.161 6.425 178 3HD1 LEU 15 2HD1 LEU 15 -1.240 -8.663 7.197 179 1HD2 LEU 15 3HD2 LEU 15 1.692 -9.175 8.243 180 2HD2 LEU 15 1HD2 LEU 15 1.285 -8.883 9.940 181 3HD2 LEU 15 2HD2 LEU 15 0.180 -9.812 8.919 182 QB LEU 15 QB LEU 15 1.306 -6.202 7.973 183 QD1 LEU 15 QD1 LEU 15 -0.637 -7.927 6.814 184 QD2 LEU 15 QD2 LEU 15 1.052 -9.289 9.034 185 QQD LEU 15 QQD LEU 15 0.208 -8.608 7.924 186 H ASN 16 HN ASN 16 3.971 -6.102 9.310 187 HA ASN 16 HA ASN 16 4.415 -3.145 9.512 188 1HB ASN 16 2HB ASN 16 6.743 -3.514 9.681 189 2HB ASN 16 3HB ASN 16 5.872 -4.404 10.940 190 1HD2 ASN 16 2HD2 ASN 16 8.195 -6.944 9.912 191 2HD2 ASN 16 1HD2 ASN 16 8.155 -5.499 10.917 192 QB ASN 16 QB ASN 16 6.307 -3.959 10.311 193 QD2 ASN 16 QD2 ASN 16 8.175 -6.221 10.414 194 H GLN 17 HN GLN 17 5.947 -2.214 7.926 195 HA GLN 17 HA GLN 17 4.763 -2.370 5.342 196 1HB GLN 17 2HB GLN 17 7.179 -1.015 6.509 197 2HB GLN 17 3HB GLN 17 7.055 -1.239 4.737 198 1HG GLN 17 2HG GLN 17 4.884 0.062 4.883 199 2HG GLN 17 3HG GLN 17 5.266 0.361 6.579 200 1HE2 GLN 17 2HE2 GLN 17 6.949 3.260 5.292 201 2HE2 GLN 17 1HE2 GLN 17 5.334 2.796 5.813 202 QB GLN 17 QB GLN 17 7.116 -1.127 5.623 203 QG GLN 17 QG GLN 17 5.075 0.212 5.732 204 QE2 GLN 17 QE2 GLN 17 6.142 3.028 5.552 205 H ALA 18 HN ALA 18 7.578 -4.031 6.757 206 HA ALA 18 HA ALA 18 8.673 -5.180 4.410 207 1HB ALA 18 3HB ALA 18 8.671 -5.977 7.333 208 2HB ALA 18 1HB ALA 18 9.524 -6.911 6.101 209 3HB ALA 18 2HB ALA 18 9.958 -5.221 6.396 210 QB ALA 18 QB ALA 18 9.384 -6.037 6.610 211 H GLU 19 HN GLU 19 6.375 -6.687 6.745 212 HA GLU 19 HA GLU 19 5.840 -9.080 5.396 213 1HB GLU 19 2HB GLU 19 4.212 -7.334 7.218 214 2HB GLU 19 3HB GLU 19 3.614 -8.898 6.653 215 1HG GLU 19 2HG GLU 19 5.100 -10.137 7.892 216 2HG GLU 19 3HG GLU 19 6.390 -8.939 7.778 217 QB GLU 19 QB GLU 19 3.913 -8.117 6.935 218 QG GLU 19 QG GLU 19 5.745 -9.538 7.835 219 H LEU 20 HN LEU 20 4.314 -5.862 5.174 220 HA LEU 20 HA LEU 20 2.371 -6.567 3.194 221 1HB LEU 20 2HB LEU 20 2.049 -4.689 4.547 222 2HB LEU 20 3HB LEU 20 3.570 -3.952 4.093 223 HG LEU 20 HG LEU 20 1.509 -2.927 3.134 224 1HD1 LEU 20 2HD1 LEU 20 3.930 -2.953 2.164 225 2HD1 LEU 20 3HD1 LEU 20 3.206 -3.830 0.815 226 3HD1 LEU 20 1HD1 LEU 20 2.624 -2.216 1.258 227 1HD2 LEU 20 2HD2 LEU 20 0.282 -5.073 2.665 228 2HD2 LEU 20 3HD2 LEU 20 0.312 -3.941 1.306 229 3HD2 LEU 20 1HD2 LEU 20 1.362 -5.353 1.288 230 QB LEU 20 QB LEU 20 2.809 -4.321 4.320 231 QD1 LEU 20 QD1 LEU 20 3.253 -3.000 1.412 232 QD2 LEU 20 QD2 LEU 20 0.651 -4.789 1.753 233 QQD LEU 20 QQD LEU 20 1.953 -3.894 1.583 234 H ALA 21 HN ALA 21 5.726 -5.255 2.895 235 HA ALA 21 HA ALA 21 5.823 -5.021 0.122 236 1HB ALA 21 3HB ALA 21 7.610 -4.256 1.717 237 2HB ALA 21 1HB ALA 21 8.159 -5.934 1.852 238 3HB ALA 21 2HB ALA 21 8.201 -5.128 0.289 239 QB ALA 21 QB ALA 21 7.990 -5.106 1.286 240 H GLN 22 HN GLN 22 6.648 -7.911 2.112 241 HA GLN 22 HA GLN 22 7.206 -9.517 -0.234 242 1HB GLN 22 2HB GLN 22 7.070 -11.486 1.197 243 2HB GLN 22 3HB GLN 22 8.124 -10.232 1.873 244 1HG GLN 22 2HG GLN 22 6.491 -9.570 3.448 245 2HG GLN 22 3HG GLN 22 5.220 -10.571 2.696 246 1HE2 GLN 22 2HE2 GLN 22 5.748 -12.832 5.285 247 2HE2 GLN 22 1HE2 GLN 22 4.699 -11.586 4.631 248 QB GLN 22 QB GLN 22 7.597 -10.858 1.535 249 QG GLN 22 QG GLN 22 5.856 -10.071 3.072 250 QE2 GLN 22 QE2 GLN 22 5.223 -12.209 4.957 251 H LYS 23 HN LYS 23 4.209 -8.885 1.594 252 HA LYS 23 HA LYS 23 2.556 -10.790 0.265 253 1HB LYS 23 2HB LYS 23 2.256 -8.511 2.078 254 2HB LYS 23 3HB LYS 23 0.985 -8.527 0.893 255 1HG LYS 23 2HG LYS 23 0.100 -10.546 1.600 256 2HG LYS 23 3HG LYS 23 1.622 -11.081 2.353 257 1HD LYS 23 2HD LYS 23 1.475 -9.462 4.101 258 2HD LYS 23 3HD LYS 23 0.069 -8.670 3.396 259 1HE LYS 23 2HE LYS 23 -0.048 -11.617 4.181 260 2HE LYS 23 3HE LYS 23 -0.170 -10.366 5.418 261 1HZ LYS 23 2HZ LYS 23 -2.024 -9.410 4.087 262 2HZ LYS 23 3HZ LYS 23 -2.012 -10.757 3.156 263 3HZ LYS 23 1HZ LYS 23 -2.327 -10.874 4.766 264 QB LYS 23 QB LYS 23 1.621 -8.519 1.486 265 QG LYS 23 QG LYS 23 0.861 -10.813 1.976 266 QD LYS 23 QD LYS 23 0.772 -9.066 3.749 267 QE LYS 23 QE LYS 23 -0.109 -10.991 4.800 268 QZ LYS 23 QZ LYS 23 -2.121 -10.346 4.003 269 H VAL 24 HN VAL 24 3.431 -7.442 -0.584 270 HA VAL 24 HA VAL 24 1.937 -7.410 -3.081 271 HB VAL 24 HB VAL 24 4.276 -5.784 -2.010 272 1HG1 VAL 24 2HG1 VAL 24 2.640 -5.439 -4.544 273 2HG1 VAL 24 3HG1 VAL 24 3.637 -4.161 -3.837 274 3HG1 VAL 24 1HG1 VAL 24 4.399 -5.636 -4.451 275 1HG2 VAL 24 1HG2 VAL 24 1.765 -5.649 -1.073 276 2HG2 VAL 24 2HG2 VAL 24 2.744 -4.195 -1.383 277 3HG2 VAL 24 3HG2 VAL 24 1.541 -4.722 -2.565 278 QG1 VAL 24 QG1 VAL 24 3.559 -5.078 -4.278 279 QG2 VAL 24 QG2 VAL 24 2.017 -4.855 -1.674 280 QQG VAL 24 QQG VAL 24 2.788 -4.967 -2.975 281 H GLY 25 HN GLY 25 5.174 -8.467 -2.075 282 1HA GLY 25 1HA GLY 25 6.576 -9.971 -3.200 283 2HA GLY 25 2HA GLY 25 5.625 -9.812 -4.685 284 QA GLY 25 QA GLY 25 6.100 -9.892 -3.942 285 H THR 26 HN THR 26 6.850 -7.218 -2.595 286 HA THR 26 HA THR 26 8.889 -6.421 -4.606 287 HB THR 26 HB THR 26 6.865 -5.014 -4.891 288 HG1 THR 26 1HG THR 26 8.741 -4.009 -5.382 289 1HG2 THR 26 2HG2 THR 26 6.511 -5.064 -2.173 290 2HG2 THR 26 3HG2 THR 26 7.325 -3.512 -2.352 291 3HG2 THR 26 1HG2 THR 26 5.838 -3.827 -3.243 292 QG2 THR 26 QG2 THR 26 6.558 -4.134 -2.590 293 H THR 27 HN THR 27 9.420 -4.110 -2.805 294 HA THR 27 HA THR 27 10.783 -5.496 -0.532 295 HB THR 27 HB THR 27 12.706 -3.804 -1.213 296 HG1 THR 27 1HG THR 27 11.339 -4.212 -3.673 297 1HG2 THR 27 2HG2 THR 27 12.130 -6.368 -2.773 298 2HG2 THR 27 3HG2 THR 27 13.697 -5.527 -2.718 299 3HG2 THR 27 1HG2 THR 27 13.013 -6.233 -1.237 300 QG2 THR 27 QG2 THR 27 12.947 -6.043 -2.243 301 H GLN 28 HN GLN 28 11.011 -4.233 1.307 302 HA GLN 28 HA GLN 28 9.011 -2.455 1.935 303 1HB GLN 28 2HB GLN 28 10.331 -3.592 3.590 304 2HB GLN 28 3HB GLN 28 11.786 -2.664 3.174 305 1HG GLN 28 2HG GLN 28 10.805 -0.605 3.979 306 2HG GLN 28 3HG GLN 28 9.204 -1.346 4.098 307 1HE2 GLN 28 2HE2 GLN 28 10.384 -1.174 7.552 308 2HE2 GLN 28 1HE2 GLN 28 9.764 -0.114 6.293 309 QB GLN 28 QB GLN 28 11.059 -3.128 3.382 310 QG GLN 28 QG GLN 28 10.005 -0.976 4.038 311 QE2 GLN 28 QE2 GLN 28 10.074 -0.644 6.923 312 H GLN 29 HN GLN 29 12.158 -1.645 0.487 313 HA GLN 29 HA GLN 29 12.205 1.101 0.679 314 1HB GLN 29 2HB GLN 29 13.524 1.089 -1.286 315 2HB GLN 29 3HB GLN 29 13.868 -0.418 -0.429 316 1HG GLN 29 2HG GLN 29 12.408 -1.618 -2.021 317 2HG GLN 29 3HG GLN 29 12.119 -0.125 -2.915 318 1HE2 GLN 29 2HE2 GLN 29 15.147 0.044 -4.593 319 2HE2 GLN 29 1HE2 GLN 29 13.710 0.928 -4.081 320 QB GLN 29 QB GLN 29 13.696 0.335 -0.857 321 QG GLN 29 QG GLN 29 12.263 -0.871 -2.468 322 QE2 GLN 29 QE2 GLN 29 14.429 0.486 -4.337 323 H SER 30 HN SER 30 10.314 -0.849 -1.608 324 HA SER 30 HA SER 30 9.328 1.387 -3.143 325 1HB SER 30 2HB SER 30 8.276 -1.456 -2.955 326 2HB SER 30 3HB SER 30 7.919 -0.281 -4.230 327 HG SER 30 HG SER 30 10.168 -0.254 -4.716 328 QB SER 30 QB SER 30 8.098 -0.868 -3.592 329 H ILE 31 HN ILE 31 8.186 -0.466 -0.361 330 HA ILE 31 HA ILE 31 5.510 0.627 -0.321 331 HB ILE 31 HB ILE 31 7.106 -0.606 1.956 332 1HG1 ILE 31 2HG1 ILE 31 7.198 -2.240 0.231 333 2HG1 ILE 31 3HG1 ILE 31 5.918 -2.715 1.314 334 1HG2 ILE 31 2HG2 ILE 31 5.082 0.618 2.628 335 2HG2 ILE 31 3HG2 ILE 31 4.106 -0.343 1.510 336 3HG2 ILE 31 1HG2 ILE 31 4.923 -1.117 2.887 337 1HD1 ILE 31 2HD1 ILE 31 4.279 -1.613 -0.374 338 2HD1 ILE 31 3HD1 ILE 31 5.668 -1.503 -1.470 339 3HD1 ILE 31 1HD1 ILE 31 5.108 -3.078 -0.910 340 QG1 ILE 31 QG1 ILE 31 6.558 -2.478 0.773 341 QG2 ILE 31 QG2 ILE 31 4.703 -0.281 2.342 342 QD1 ILE 31 QD1 ILE 31 5.018 -2.064 -0.918 343 H GLU 32 HN GLU 32 8.504 1.301 1.577 344 HA GLU 32 HA GLU 32 7.590 3.592 2.909 345 1HB GLU 32 2HB GLU 32 9.664 2.597 3.512 346 2HB GLU 32 3HB GLU 32 10.383 2.873 1.919 347 1HG GLU 32 2HG GLU 32 10.676 5.165 2.280 348 2HG GLU 32 3HG GLU 32 9.326 5.282 3.417 349 QB GLU 32 QB GLU 32 10.023 2.736 2.716 350 QG GLU 32 QG GLU 32 10.001 5.224 2.848 351 H GLN 33 HN GLN 33 9.252 3.389 -0.298 352 HA GLN 33 HA GLN 33 9.026 6.095 -0.974 353 1HB GLN 33 2HB GLN 33 9.163 3.539 -2.558 354 2HB GLN 33 3HB GLN 33 8.923 5.051 -3.397 355 1HG GLN 33 2HG GLN 33 10.968 5.997 -2.331 356 2HG GLN 33 3HG GLN 33 11.209 4.509 -1.432 357 1HE2 GLN 33 2HE2 GLN 33 12.289 2.609 -4.277 358 2HE2 GLN 33 1HE2 GLN 33 11.532 2.532 -2.672 359 QB GLN 33 QB GLN 33 9.043 4.296 -2.977 360 QG GLN 33 QG GLN 33 11.089 5.253 -1.882 361 QE2 GLN 33 QE2 GLN 33 11.910 2.571 -3.474 362 H LEU 34 HN LEU 34 6.488 3.569 -1.339 363 HA LEU 34 HA LEU 34 4.640 5.333 -2.632 364 1HB LEU 34 2HB LEU 34 4.402 2.928 -2.735 365 2HB LEU 34 3HB LEU 34 4.158 2.816 -0.993 366 HG LEU 34 HG LEU 34 2.052 4.063 -1.167 367 1HD1 LEU 34 3HD1 LEU 34 2.739 4.180 -4.134 368 2HD1 LEU 34 1HD1 LEU 34 1.105 4.460 -3.496 369 3HD1 LEU 34 2HD1 LEU 34 2.426 5.552 -3.054 370 1HD2 LEU 34 2HD2 LEU 34 2.096 1.584 -1.459 371 2HD2 LEU 34 3HD2 LEU 34 0.748 2.377 -2.298 372 3HD2 LEU 34 1HD2 LEU 34 2.163 1.827 -3.220 373 QB LEU 34 QB LEU 34 4.280 2.872 -1.864 374 QD1 LEU 34 QD1 LEU 34 2.090 4.730 -3.561 375 QD2 LEU 34 QD2 LEU 34 1.669 1.929 -2.326 376 QQD LEU 34 QQD LEU 34 1.880 3.330 -2.943 377 H GLU 35 HN GLU 35 4.950 4.343 0.830 378 HA GLU 35 HA GLU 35 2.962 6.118 1.818 379 1HB GLU 35 2HB GLU 35 5.224 4.527 3.007 380 2HB GLU 35 3HB GLU 35 4.549 5.824 3.992 381 1HG GLU 35 2HG GLU 35 2.391 4.890 4.024 382 2HG GLU 35 3HG GLU 35 2.709 3.817 2.666 383 QB GLU 35 QB GLU 35 4.887 5.176 3.500 384 QG GLU 35 QG GLU 35 2.550 4.354 3.346 385 H ASN 36 HN ASN 36 6.291 6.716 0.877 386 HA ASN 36 HA ASN 36 6.480 9.354 2.025 387 1HB ASN 36 2HB ASN 36 8.363 7.761 1.351 388 2HB ASN 36 3HB ASN 36 8.042 8.229 -0.331 389 1HD2 ASN 36 2HD2 ASN 36 10.819 10.329 0.609 390 2HD2 ASN 36 1HD2 ASN 36 10.431 8.733 -0.003 391 QB ASN 36 QB ASN 36 8.203 7.995 0.510 392 QD2 ASN 36 QD2 ASN 36 10.625 9.531 0.302 393 H GLY 37 HN GLY 37 4.599 8.183 -0.580 394 1HA GLY 37 1HA GLY 37 3.258 9.231 -2.066 395 2HA GLY 37 2HA GLY 37 3.549 10.725 -1.148 396 QA GLY 37 QA GLY 37 3.404 9.978 -1.607 397 H LYS 38 HN LYS 38 6.078 8.837 -2.815 398 HA LYS 38 HA LYS 38 6.847 11.253 -4.256 399 1HB LYS 38 2HB LYS 38 8.823 10.207 -4.787 400 2HB LYS 38 3HB LYS 38 8.430 9.603 -3.173 401 1HG LYS 38 2HG LYS 38 7.466 7.531 -4.239 402 2HG LYS 38 3HG LYS 38 8.001 8.112 -5.824 403 1HD LYS 38 2HD LYS 38 9.788 7.527 -3.451 404 2HD LYS 38 3HD LYS 38 9.530 6.488 -4.869 405 1HE LYS 38 2HE LYS 38 10.336 8.955 -5.981 406 2HE LYS 38 3HE LYS 38 11.335 8.781 -4.530 407 1HZ LYS 38 1HZ LYS 38 11.886 6.521 -5.378 408 2HZ LYS 38 2HZ LYS 38 11.092 6.882 -6.767 409 3HZ LYS 38 3HZ LYS 38 12.422 7.751 -6.343 410 QB LYS 38 QB LYS 38 8.626 9.906 -3.980 411 QG LYS 38 QG LYS 38 7.734 7.822 -5.031 412 QD LYS 38 QD LYS 38 9.658 7.008 -4.160 413 QE LYS 38 QE LYS 38 10.835 8.868 -5.255 414 QZ LYS 38 QZ LYS 38 11.800 7.051 -6.163 415 H THR 39 HN THR 39 4.638 8.757 -5.017 416 HA THR 39 HA THR 39 4.772 9.477 -7.888 417 HB THR 39 HB THR 39 5.848 7.287 -7.701 418 HG1 THR 39 1HG THR 39 4.698 6.509 -9.360 419 1HG2 THR 39 3HG2 THR 39 3.287 6.472 -6.266 420 2HG2 THR 39 1HG2 THR 39 4.229 5.311 -7.204 421 3HG2 THR 39 2HG2 THR 39 4.973 6.142 -5.831 422 QG2 THR 39 QG2 THR 39 4.164 5.975 -6.434 423 H LYS 40 HN LYS 40 2.791 9.100 -8.975 424 HA LYS 40 HA LYS 40 0.392 9.718 -7.296 425 1HB LYS 40 2HB LYS 40 1.130 10.205 -10.200 426 2HB LYS 40 3HB LYS 40 -0.540 10.328 -9.640 427 1HG LYS 40 2HG LYS 40 1.659 11.806 -8.181 428 2HG LYS 40 3HG LYS 40 1.039 12.483 -9.674 429 1HD LYS 40 2HD LYS 40 -1.002 11.645 -7.589 430 2HD LYS 40 3HD LYS 40 0.016 13.031 -7.228 431 1HE LYS 40 2HE LYS 40 -2.014 13.847 -8.248 432 2HE LYS 40 3HE LYS 40 -0.639 14.165 -9.308 433 1HZ LYS 40 1HZ LYS 40 -1.302 12.170 -10.555 434 2HZ LYS 40 2HZ LYS 40 -2.655 12.044 -9.620 435 3HZ LYS 40 3HZ LYS 40 -2.436 13.360 -10.580 436 QB LYS 40 QB LYS 40 0.295 10.266 -9.920 437 QG LYS 40 QG LYS 40 1.349 12.144 -8.927 438 QD LYS 40 QD LYS 40 -0.493 12.338 -7.408 439 QE LYS 40 QE LYS 40 -1.326 14.006 -8.778 440 QZ LYS 40 QZ LYS 40 -2.130 12.525 -10.251 441 NH1 ARG 41 NH2 ARG 41 -3.599 7.416 -10.709 442 NH2 ARG 41 NH1 ARG 41 -4.609 7.279 -12.791 443 H ARG 41 HN ARG 41 1.664 7.492 -9.780 444 HA ARG 41 HA ARG 41 -0.526 5.607 -9.127 445 1HB ARG 41 2HB ARG 41 -0.963 6.776 -11.344 446 2HB ARG 41 3HB ARG 41 0.506 6.006 -11.939 447 1HG ARG 41 2HG ARG 41 -1.069 4.434 -12.586 448 2HG ARG 41 3HG ARG 41 -0.610 3.779 -11.021 449 1HD ARG 41 2HD ARG 41 -2.942 3.676 -11.087 450 2HD ARG 41 3HD ARG 41 -2.631 5.036 -10.029 451 HE ARG 41 HE ARG 41 -3.619 4.998 -12.855 452 1HH1 ARG 41 2HH2 ARG 41 -3.006 7.017 -9.993 453 2HH1 ARG 41 1HH2 ARG 41 -4.017 8.317 -10.537 454 1HH2 ARG 41 2HH1 ARG 41 -4.816 6.765 -13.636 455 2HH2 ARG 41 1HH1 ARG 41 -4.994 8.207 -12.698 456 QB ARG 41 QB ARG 41 -0.228 6.391 -11.642 457 QG ARG 41 QG ARG 41 -0.840 4.107 -11.803 458 QD ARG 41 QD ARG 41 -2.786 4.356 -10.558 459 QH1 ARG 41 QH2 ARG 41 -3.511 7.667 -10.265 460 QH2 ARG 41 QH1 ARG 41 -4.905 7.487 -13.167 461 HA PRO 42 HA PRO 42 3.505 3.373 -8.826 462 1HB PRO 42 2HB PRO 42 2.633 1.445 -7.056 463 2HB PRO 42 3HB PRO 42 3.233 3.032 -6.539 464 1HG PRO 42 2HG PRO 42 0.450 2.012 -6.597 465 2HG PRO 42 3HG PRO 42 1.127 3.324 -5.621 466 1HD PRO 42 2HD PRO 42 -0.335 3.515 -8.151 467 2HD PRO 42 3HD PRO 42 0.249 4.856 -7.130 468 QB PRO 42 QB PRO 42 2.933 2.239 -6.797 469 QG PRO 42 QG PRO 42 0.788 2.667 -6.109 470 QD PRO 42 QD PRO 42 -0.044 4.185 -7.640 471 NH1 ARG 43 NH2 ARG 43 6.955 -1.778 -12.274 472 NH2 ARG 43 NH1 ARG 43 7.649 -2.302 -14.422 473 H ARG 43 HN ARG 43 3.918 1.089 -9.416 474 HA ARG 43 HA ARG 43 1.993 0.193 -11.433 475 1HB ARG 43 2HB ARG 43 4.657 0.184 -11.523 476 2HB ARG 43 3HB ARG 43 4.465 -1.339 -10.639 477 1HG ARG 43 2HG ARG 43 2.585 -1.469 -12.763 478 2HG ARG 43 3HG ARG 43 3.964 -0.665 -13.490 479 1HD ARG 43 2HD ARG 43 4.535 -3.198 -11.909 480 2HD ARG 43 3HD ARG 43 3.544 -3.350 -13.334 481 HE ARG 43 HE ARG 43 5.278 -3.082 -14.698 482 1HH1 ARG 43 2HH2 ARG 43 6.211 -1.767 -11.595 483 2HH1 ARG 43 1HH2 ARG 43 7.869 -1.440 -12.014 484 1HH2 ARG 43 2HH1 ARG 43 7.455 -2.669 -15.343 485 2HH2 ARG 43 1HH1 ARG 43 8.583 -1.973 -14.228 486 QB ARG 43 QB ARG 43 4.561 -0.577 -11.081 487 QG ARG 43 QG ARG 43 3.275 -1.067 -13.126 488 QD ARG 43 QD ARG 43 4.039 -3.274 -12.622 489 QH1 ARG 43 QH2 ARG 43 7.040 -1.604 -11.804 490 QH2 ARG 43 QH1 ARG 43 8.020 -2.320 -14.786 491 H PHE 44 HN PHE 44 3.032 -0.687 -8.184 492 HA PHE 44 HA PHE 44 1.716 -3.323 -8.333 493 1HB PHE 44 2HB PHE 44 2.733 -3.666 -6.130 494 2HB PHE 44 3HB PHE 44 3.895 -3.333 -7.390 495 HD1 PHE 44 1HD PHE 44 5.151 -1.177 -7.435 496 HD2 PHE 44 2HD PHE 44 2.407 -2.121 -4.251 497 HE1 PHE 44 1HE PHE 44 6.025 0.730 -6.108 498 HE2 PHE 44 2HE PHE 44 3.393 -0.321 -2.865 499 HZ PHE 44 HZ PHE 44 5.202 1.112 -3.798 500 QB PHE 44 QB PHE 44 3.314 -3.499 -6.760 501 QR PHE 44 QR PHE 44 4.244 -0.723 -5.165 502 H LEU 45 HN LEU 45 0.196 -0.717 -8.379 503 HA LEU 45 HA LEU 45 -1.067 -0.310 -5.873 504 1HB LEU 45 2HB LEU 45 -1.124 1.186 -7.944 505 2HB LEU 45 3HB LEU 45 -2.327 0.115 -8.585 506 HG LEU 45 HG LEU 45 -3.512 0.577 -6.203 507 1HD1 LEU 45 1HD1 LEU 45 -1.693 2.960 -6.688 508 2HD1 LEU 45 2HD1 LEU 45 -3.240 3.225 -5.988 509 3HD1 LEU 45 3HD1 LEU 45 -2.070 2.167 -5.159 510 1HD2 LEU 45 3HD2 LEU 45 -4.442 0.835 -8.422 511 2HD2 LEU 45 1HD2 LEU 45 -4.874 2.207 -7.379 512 3HD2 LEU 45 2HD2 LEU 45 -3.603 2.389 -8.619 513 QB LEU 45 QB LEU 45 -1.725 0.651 -8.265 514 QD1 LEU 45 QD1 LEU 45 -2.335 2.784 -5.945 515 QD2 LEU 45 QD2 LEU 45 -4.306 1.811 -8.140 516 QQD LEU 45 QQD LEU 45 -3.321 2.297 -7.042 517 HA PRO 46 HA PRO 46 -4.400 -3.485 -7.168 518 1HB PRO 46 2HB PRO 46 -3.671 -5.496 -8.971 519 2HB PRO 46 3HB PRO 46 -4.718 -4.093 -9.285 520 1HG PRO 46 2HG PRO 46 -1.931 -4.530 -10.142 521 2HG PRO 46 3HG PRO 46 -3.147 -3.412 -10.797 522 1HD PRO 46 2HD PRO 46 -0.960 -2.789 -9.116 523 2HD PRO 46 3HD PRO 46 -2.289 -1.711 -9.593 524 QB PRO 46 QB PRO 46 -4.195 -4.794 -9.128 525 QG PRO 46 QG PRO 46 -2.539 -3.971 -10.470 526 QD PRO 46 QD PRO 46 -1.625 -2.250 -9.354 527 H GLU 47 HN GLU 47 -1.057 -4.874 -7.488 528 HA GLU 47 HA GLU 47 -1.406 -7.084 -5.842 529 1HB GLU 47 2HB GLU 47 1.033 -5.300 -6.141 530 2HB GLU 47 3HB GLU 47 0.998 -6.911 -5.394 531 1HG GLU 47 2HG GLU 47 1.687 -7.515 -7.463 532 2HG GLU 47 3HG GLU 47 -0.052 -7.629 -7.743 533 QB GLU 47 QB GLU 47 1.016 -6.106 -5.767 534 QG GLU 47 QG GLU 47 0.817 -7.572 -7.602 535 H LEU 48 HN LEU 48 -0.520 -3.724 -4.814 536 HA LEU 48 HA LEU 48 -0.481 -4.329 -2.003 537 1HB LEU 48 2HB LEU 48 0.506 -2.286 -3.045 538 2HB LEU 48 3HB LEU 48 -1.129 -1.696 -3.353 539 HG LEU 48 HG LEU 48 -1.312 -2.251 -0.665 540 1HD1 LEU 48 2HD1 LEU 48 1.082 -2.938 -0.555 541 2HD1 LEU 48 3HD1 LEU 48 1.551 -1.295 -1.033 542 3HD1 LEU 48 1HD1 LEU 48 0.664 -1.559 0.483 543 1HD2 LEU 48 1HD2 LEU 48 -1.875 -0.108 -1.725 544 2HD2 LEU 48 2HD2 LEU 48 -0.929 0.101 -0.245 545 3HD2 LEU 48 3HD2 LEU 48 -0.150 0.293 -1.834 546 QB LEU 48 QB LEU 48 -0.311 -1.991 -3.199 547 QD1 LEU 48 QD1 LEU 48 1.099 -1.930 -0.369 548 QD2 LEU 48 QD2 LEU 48 -0.985 0.095 -1.269 549 QQD LEU 48 QQD LEU 48 0.057 -0.918 -0.819 550 H ALA 49 HN ALA 49 -3.095 -3.082 -4.129 551 HA ALA 49 HA ALA 49 -5.051 -2.817 -2.161 552 1HB ALA 49 2HB ALA 49 -5.080 -3.153 -5.116 553 2HB ALA 49 3HB ALA 49 -6.571 -3.605 -4.305 554 3HB ALA 49 1HB ALA 49 -5.934 -1.981 -4.097 555 QB ALA 49 QB ALA 49 -5.862 -2.914 -4.507 556 H SER 50 HN SER 50 -4.285 -5.722 -4.093 557 HA SER 50 HA SER 50 -6.281 -7.358 -2.811 558 1HB SER 50 2HB SER 50 -5.020 -9.232 -3.926 559 2HB SER 50 3HB SER 50 -5.592 -7.941 -5.002 560 HG SER 50 HG SER 50 -3.523 -7.099 -5.096 561 QB SER 50 QB SER 50 -5.306 -8.587 -4.464 562 H ALA 51 HN ALA 51 -2.748 -7.029 -2.333 563 HA ALA 51 HA ALA 51 -2.319 -8.892 -0.311 564 1HB ALA 51 1HB ALA 51 -1.080 -6.186 -0.904 565 2HB ALA 51 2HB ALA 51 -0.512 -7.179 0.411 566 3HB ALA 51 3HB ALA 51 -0.426 -7.798 -1.263 567 QB ALA 51 QB ALA 51 -0.673 -7.054 -0.585 568 H LEU 52 HN LEU 52 -3.305 -5.477 0.065 569 HA LEU 52 HA LEU 52 -3.576 -5.678 2.971 570 1HB LEU 52 2HB LEU 52 -4.217 -3.577 0.867 571 2HB LEU 52 3HB LEU 52 -4.794 -3.422 2.511 572 HG LEU 52 HG LEU 52 -1.870 -3.617 1.750 573 1HD1 LEU 52 2HD1 LEU 52 -3.671 -1.276 2.472 574 2HD1 LEU 52 3HD1 LEU 52 -1.903 -1.197 2.548 575 3HD1 LEU 52 1HD1 LEU 52 -2.716 -1.501 1.004 576 1HD2 LEU 52 2HD2 LEU 52 -3.283 -3.274 4.409 577 2HD2 LEU 52 3HD2 LEU 52 -2.034 -4.460 3.986 578 3HD2 LEU 52 1HD2 LEU 52 -1.606 -2.762 4.179 579 QB LEU 52 QB LEU 52 -4.506 -3.499 1.689 580 QD1 LEU 52 QD1 LEU 52 -2.763 -1.324 2.008 581 QD2 LEU 52 QD2 LEU 52 -2.308 -3.498 4.192 582 QQD LEU 52 QQD LEU 52 -2.536 -2.412 3.100 583 H GLY 53 HN GLY 53 -5.784 -5.595 0.168 584 1HA GLY 53 1HA GLY 53 -7.824 -6.780 0.050 585 2HA GLY 53 2HA GLY 53 -7.981 -6.767 1.815 586 QA GLY 53 QA GLY 53 -7.902 -6.774 0.933 587 H VAL 54 HN VAL 54 -7.510 -4.406 -0.853 588 HA VAL 54 HA VAL 54 -9.952 -2.935 -0.104 589 HB VAL 54 HB VAL 54 -8.800 -0.769 -0.400 590 1HG1 VAL 54 2HG1 VAL 54 -9.192 -1.635 1.865 591 2HG1 VAL 54 3HG1 VAL 54 -7.599 -2.430 1.841 592 3HG1 VAL 54 1HG1 VAL 54 -7.708 -0.663 1.777 593 1HG2 VAL 54 2HG2 VAL 54 -6.840 -1.508 -1.710 594 2HG2 VAL 54 3HG2 VAL 54 -6.336 -0.614 -0.276 595 3HG2 VAL 54 1HG2 VAL 54 -6.211 -2.373 -0.277 596 QG1 VAL 54 QG1 VAL 54 -8.166 -1.576 1.827 597 QG2 VAL 54 QG2 VAL 54 -6.462 -1.499 -0.755 598 QQG VAL 54 QQG VAL 54 -7.314 -1.538 0.537 599 H SER 55 HN SER 55 -10.431 -1.294 -1.999 600 HA SER 55 HA SER 55 -10.133 -2.810 -4.490 601 1HB SER 55 2HB SER 55 -11.804 -1.000 -5.217 602 2HB SER 55 3HB SER 55 -12.336 -2.156 -3.983 603 HG SER 55 HG SER 55 -12.809 0.015 -3.386 604 QB SER 55 QB SER 55 -12.070 -1.578 -4.600 605 H VAL 56 HN VAL 56 -9.159 -2.022 -6.318 606 HA VAL 56 HA VAL 56 -7.005 -0.204 -6.158 607 HB VAL 56 HB VAL 56 -8.620 -1.448 -8.403 608 1HG1 VAL 56 1HG1 VAL 56 -6.578 0.757 -8.672 609 2HG1 VAL 56 2HG1 VAL 56 -6.703 -0.511 -9.908 610 3HG1 VAL 56 3HG1 VAL 56 -8.100 0.517 -9.538 611 1HG2 VAL 56 1HG2 VAL 56 -6.882 -2.707 -7.013 612 2HG2 VAL 56 2HG2 VAL 56 -6.607 -2.699 -8.762 613 3HG2 VAL 56 3HG2 VAL 56 -5.663 -1.619 -7.711 614 QG1 VAL 56 QG1 VAL 56 -7.127 0.254 -9.373 615 QG2 VAL 56 QG2 VAL 56 -6.384 -2.342 -7.829 616 QQG VAL 56 QQG VAL 56 -6.755 -1.044 -8.600 617 H ASP 57 HN ASP 57 -10.371 0.391 -7.329 618 HA ASP 57 HA ASP 57 -10.143 3.112 -7.889 619 1HB ASP 57 2HB ASP 57 -12.366 1.406 -6.721 620 2HB ASP 57 3HB ASP 57 -12.553 3.161 -6.817 621 QB ASP 57 QB ASP 57 -12.459 2.283 -6.769 622 CH2 TRP 58 CH2 TRP 58 -7.378 2.563 2.157 623 H TRP 58 HN TRP 58 -10.476 1.577 -4.658 624 HA TRP 58 HA TRP 58 -10.648 4.159 -3.320 625 1HB TRP 58 2HB TRP 58 -11.689 2.208 -2.353 626 2HB TRP 58 3HB TRP 58 -10.128 1.380 -2.258 627 HD1 TRP 58 HD1 TRP 58 -12.155 4.122 -0.548 628 HE1 TRP 58 HE1 TRP 58 -11.116 4.642 1.730 629 HE3 TRP 58 HE3 TRP 58 -7.858 1.407 -1.016 630 HZ2 TRP 58 HZ2 TRP 58 -8.630 3.986 3.163 631 HZ3 TRP 58 HZ3 TRP 58 -6.194 1.362 0.832 632 HH2 TRP 58 HH2 TRP 58 -6.576 2.621 2.876 633 QB TRP 58 QB TRP 58 -10.908 1.794 -2.306 634 H LEU 59 HN LEU 59 -8.054 1.874 -4.265 635 HA LEU 59 HA LEU 59 -6.075 3.534 -2.962 636 1HB LEU 59 2HB LEU 59 -6.016 1.228 -4.863 637 2HB LEU 59 3HB LEU 59 -4.619 2.243 -4.803 638 HG LEU 59 HG LEU 59 -5.803 0.718 -2.499 639 1HD1 LEU 59 3HD1 LEU 59 -4.416 -0.447 -4.311 640 2HD1 LEU 59 1HD1 LEU 59 -3.038 0.495 -3.737 641 3HD1 LEU 59 2HD1 LEU 59 -3.857 -0.644 -2.640 642 1HD2 LEU 59 1HD2 LEU 59 -3.605 2.818 -2.551 643 2HD2 LEU 59 2HD2 LEU 59 -4.910 2.608 -1.357 644 3HD2 LEU 59 3HD2 LEU 59 -3.551 1.495 -1.373 645 QB LEU 59 QB LEU 59 -5.317 1.735 -4.832 646 QD1 LEU 59 QD1 LEU 59 -3.771 -0.198 -3.563 647 QD2 LEU 59 QD2 LEU 59 -4.022 2.307 -1.760 648 QQD LEU 59 QQD LEU 59 -3.896 1.054 -2.661 649 H LEU 60 HN LEU 60 -7.716 3.902 -6.060 650 HA LEU 60 HA LEU 60 -5.829 5.953 -6.960 651 1HB LEU 60 2HB LEU 60 -8.561 5.122 -7.993 652 2HB LEU 60 3HB LEU 60 -7.513 6.297 -8.785 653 HG LEU 60 HG LEU 60 -6.603 3.456 -8.218 654 1HD1 LEU 60 1HD1 LEU 60 -8.047 4.569 -10.647 655 2HD1 LEU 60 2HD1 LEU 60 -7.155 3.031 -10.637 656 3HD1 LEU 60 3HD1 LEU 60 -8.570 3.242 -9.593 657 1HD2 LEU 60 3HD2 LEU 60 -4.863 5.267 -8.780 658 2HD2 LEU 60 1HD2 LEU 60 -4.928 3.859 -9.844 659 3HD2 LEU 60 2HD2 LEU 60 -5.680 5.384 -10.351 660 QB LEU 60 QB LEU 60 -8.038 5.709 -8.389 661 QD1 LEU 60 QD1 LEU 60 -7.924 3.613 -10.292 662 QD2 LEU 60 QD2 LEU 60 -5.157 4.836 -9.658 663 QQD LEU 60 QQD LEU 60 -6.540 4.225 -9.975 664 H ASN 61 HN ASN 61 -9.293 6.111 -6.080 665 HA ASN 61 HA ASN 61 -9.062 8.991 -5.473 666 1HB ASN 61 2HB ASN 61 -11.450 8.836 -4.810 667 2HB ASN 61 3HB ASN 61 -11.076 8.555 -6.509 668 1HD2 ASN 61 2HD2 ASN 61 -12.485 5.336 -6.590 669 2HD2 ASN 61 1HD2 ASN 61 -11.823 6.688 -7.468 670 QB ASN 61 QB ASN 61 -11.263 8.697 -5.660 671 QD2 ASN 61 QD2 ASN 61 -12.154 6.012 -7.029 672 H GLY 62 HN GLY 62 -10.085 6.104 -3.427 673 1HA GLY 62 1HA GLY 62 -9.581 5.752 -1.184 674 2HA GLY 62 2HA GLY 62 -8.217 6.847 -1.422 675 QA GLY 62 QA GLY 62 -8.899 6.300 -1.303 676 H THR 63 HN THR 63 -11.491 6.467 -0.464 677 HA THR 63 HA THR 63 -12.784 7.470 1.051 678 HB THR 63 HB THR 63 -12.061 8.889 2.712 679 HG1 THR 63 1HG THR 63 -10.298 9.905 0.822 680 1HG2 THR 63 3HG2 THR 63 -10.729 6.694 2.612 681 2HG2 THR 63 1HG2 THR 63 -9.376 7.656 1.976 682 3HG2 THR 63 2HG2 THR 63 -10.031 8.012 3.570 683 QG2 THR 63 QG2 THR 63 -10.046 7.453 2.719 684 H SER 64 HN SER 64 -14.487 8.307 -0.064 685 HA SER 64 HA SER 64 -14.186 10.924 -1.416 686 1HB SER 64 2HB SER 64 -13.939 9.128 -3.153 687 2HB SER 64 3HB SER 64 -15.519 8.473 -2.667 688 HG SER 64 HG SER 64 -16.477 10.395 -3.324 689 QB SER 64 QB SER 64 -14.729 8.800 -2.910 690 H ASP 65 HN ASP 65 -16.119 12.109 -1.320 691 HA ASP 65 HA ASP 65 -17.855 11.504 0.860 692 1HB ASP 65 2HB ASP 65 -17.260 13.810 -0.309 693 2HB ASP 65 3HB ASP 65 -18.670 13.434 -1.310 694 QB ASP 65 QB ASP 65 -17.965 13.623 -0.809 695 H SER 66 HN SER 66 -20.323 11.651 0.380 696 HA SER 66 HA SER 66 -22.154 10.381 -0.045 697 1HB SER 66 2HB SER 66 -20.977 9.999 -2.828 698 2HB SER 66 3HB SER 66 -22.659 9.781 -2.338 699 HG SER 66 HG SER 66 -21.977 12.174 -1.488 700 QB SER 66 QB SER 66 -21.818 9.889 -2.582 701 H ASN 67 HN ASN 67 -21.989 8.685 1.350 702 HA ASN 67 HA ASN 67 -21.514 6.059 0.279 703 1HB ASN 67 2HB ASN 67 -19.680 5.478 1.938 704 2HB ASN 67 3HB ASN 67 -19.190 6.412 0.526 705 1HD2 ASN 67 2HD2 ASN 67 -18.066 9.194 2.445 706 2HD2 ASN 67 1HD2 ASN 67 -18.132 8.485 0.860 707 QB ASN 67 QB ASN 67 -19.435 5.945 1.232 708 QD2 ASN 67 QD2 ASN 67 -18.099 8.839 1.652 709 H VAL 68 HN VAL 68 -21.414 7.779 3.455 710 HA VAL 68 HA VAL 68 -23.565 5.991 4.439 711 HB VAL 68 HB VAL 68 -21.527 6.166 5.698 712 1HG1 VAL 68 2HG1 VAL 68 -20.827 8.520 5.266 713 2HG1 VAL 68 3HG1 VAL 68 -22.141 9.102 6.277 714 3HG1 VAL 68 1HG1 VAL 68 -20.862 8.113 6.980 715 1HG2 VAL 68 1HG2 VAL 68 -24.016 6.056 6.721 716 2HG2 VAL 68 2HG2 VAL 68 -22.546 5.983 7.706 717 3HG2 VAL 68 3HG2 VAL 68 -23.434 7.509 7.553 718 QG1 VAL 68 QG1 VAL 68 -21.276 8.578 6.174 719 QG2 VAL 68 QG2 VAL 68 -23.332 6.516 7.326 720 QQG VAL 68 QQG VAL 68 -22.304 7.547 6.751 721 NH1 ARG 69 NH2 ARG 69 -24.351 12.643 0.941 722 NH2 ARG 69 NH1 ARG 69 -25.306 14.703 1.389 723 H ARG 69 HN ARG 69 -24.950 7.177 2.739 724 HA ARG 69 HA ARG 69 -26.219 9.578 3.972 725 1HB ARG 69 2HB ARG 69 -25.074 10.098 1.813 726 2HB ARG 69 3HB ARG 69 -26.083 8.872 1.015 727 1HG ARG 69 2HG ARG 69 -28.108 10.065 1.568 728 2HG ARG 69 3HG ARG 69 -27.247 11.221 2.579 729 1HD ARG 69 2HD ARG 69 -26.276 11.095 -0.263 730 2HD ARG 69 3HD ARG 69 -27.955 11.552 -0.072 731 HE ARG 69 HE ARG 69 -27.461 13.521 0.912 732 1HH1 ARG 69 2HH2 ARG 69 -24.475 11.673 0.701 733 2HH1 ARG 69 1HH2 ARG 69 -23.418 12.993 1.117 734 1HH2 ARG 69 2HH1 ARG 69 -26.117 15.299 1.480 735 2HH2 ARG 69 1HH1 ARG 69 -24.396 15.103 1.568 736 QB ARG 69 QB ARG 69 -25.579 9.486 1.414 737 QG ARG 69 QG ARG 69 -27.677 10.643 2.074 738 QD ARG 69 QD ARG 69 -27.116 11.324 -0.168 739 QH1 ARG 69 QH2 ARG 69 -23.946 12.333 0.909 740 QH2 ARG 69 QH1 ARG 69 -25.257 15.201 1.524 Start of MODEL 4 Raw file had 740 H/Q atoms Start of MODEL 4 1 H SER 1 HN SER 1 -4.964 11.278 4.380 2 HA SER 1 HA SER 1 -4.277 10.818 2.054 3 1HB SER 1 2HB SER 1 -2.062 10.483 4.128 4 2HB SER 1 3HB SER 1 -1.918 11.202 2.504 5 HG SER 1 HG SER 1 -2.334 12.867 3.995 6 QB SER 1 QB SER 1 -1.990 10.843 3.315 7 H ILE 2 HN ILE 2 -2.674 9.473 0.766 8 HA ILE 2 HA ILE 2 -3.453 6.750 0.732 9 HB ILE 2 HB ILE 2 -2.807 7.522 -1.314 10 1HG1 ILE 2 2HG1 ILE 2 -0.735 6.361 -2.022 11 2HG1 ILE 2 3HG1 ILE 2 -0.340 6.018 -0.336 12 1HG2 ILE 2 3HG2 ILE 2 -0.379 8.849 -0.077 13 2HG2 ILE 2 1HG2 ILE 2 -0.586 8.619 -1.815 14 3HG2 ILE 2 2HG2 ILE 2 -1.753 9.587 -0.936 15 1HD1 ILE 2 2HD1 ILE 2 -2.640 4.831 -0.223 16 2HD1 ILE 2 3HD1 ILE 2 -2.737 5.095 -1.967 17 3HD1 ILE 2 1HD1 ILE 2 -1.437 4.093 -1.299 18 QG1 ILE 2 QG1 ILE 2 -0.537 6.190 -1.180 19 QG2 ILE 2 QG2 ILE 2 -0.906 9.018 -0.943 20 QD1 ILE 2 QD1 ILE 2 -2.272 4.673 -1.163 21 H SER 3 HN SER 3 -0.327 8.157 1.772 22 HA SER 3 HA SER 3 0.908 6.036 2.958 23 1HB SER 3 2HB SER 3 1.936 8.183 2.969 24 2HB SER 3 3HB SER 3 0.622 8.931 3.875 25 HG SER 3 HG SER 3 2.637 8.275 5.045 26 QB SER 3 QB SER 3 1.279 8.557 3.422 27 H SER 4 HN SER 4 -1.478 8.117 4.698 28 HA SER 4 HA SER 4 -1.530 6.491 7.007 29 1HB SER 4 2HB SER 4 -3.622 7.712 7.560 30 2HB SER 4 3HB SER 4 -2.276 8.772 7.118 31 HG SER 4 HG SER 4 -4.045 7.896 5.119 32 QB SER 4 QB SER 4 -2.949 8.242 7.339 33 NH1 ARG 5 NH2 ARG 5 -7.176 8.615 1.864 34 NH2 ARG 5 NH1 ARG 5 -5.810 9.061 0.044 35 H ARG 5 HN ARG 5 -3.428 6.236 3.944 36 HA ARG 5 HA ARG 5 -5.336 4.344 5.022 37 1HB ARG 5 2HB ARG 5 -4.396 4.941 2.190 38 2HB ARG 5 3HB ARG 5 -5.391 3.648 2.527 39 1HG ARG 5 2HG ARG 5 -7.082 5.177 3.549 40 2HG ARG 5 3HG ARG 5 -5.985 6.537 3.385 41 1HD ARG 5 2HD ARG 5 -6.714 4.897 0.931 42 2HD ARG 5 3HD ARG 5 -7.865 6.052 1.559 43 HE ARG 5 HE ARG 5 -5.462 6.563 0.053 44 1HH1 ARG 5 2HH2 ARG 5 -7.627 7.912 2.437 45 2HH1 ARG 5 1HH2 ARG 5 -7.579 9.539 1.844 46 1HH2 ARG 5 2HH1 ARG 5 -5.278 8.719 -0.747 47 2HH2 ARG 5 1HH1 ARG 5 -6.118 10.023 0.009 48 QB ARG 5 QB ARG 5 -4.893 4.295 2.359 49 QG ARG 5 QG ARG 5 -6.534 5.857 3.467 50 QD ARG 5 QD ARG 5 -7.289 5.475 1.245 51 QH1 ARG 5 QH2 ARG 5 -7.603 8.726 2.140 52 QH2 ARG 5 QH1 ARG 5 -5.698 9.371 -0.369 53 H VAL 6 HN VAL 6 -2.372 3.908 3.029 54 HA VAL 6 HA VAL 6 -2.389 1.099 3.112 55 HB VAL 6 HB VAL 6 -0.088 3.081 2.817 56 1HG1 VAL 6 2HG1 VAL 6 -0.132 0.065 2.395 57 2HG1 VAL 6 3HG1 VAL 6 1.104 1.156 1.714 58 3HG1 VAL 6 1HG1 VAL 6 0.888 1.051 3.461 59 1HG2 VAL 6 3HG2 VAL 6 -1.851 1.551 0.875 60 2HG2 VAL 6 1HG2 VAL 6 -1.737 3.298 1.067 61 3HG2 VAL 6 2HG2 VAL 6 -0.364 2.412 0.389 62 QG1 VAL 6 QG1 VAL 6 0.619 0.757 2.523 63 QG2 VAL 6 QG2 VAL 6 -1.318 2.420 0.777 64 QQG VAL 6 QQG VAL 6 -0.349 1.589 1.650 65 H LYS 7 HN LYS 7 -0.630 3.379 5.252 66 HA LYS 7 HA LYS 7 0.434 1.372 6.925 67 1HB LYS 7 2HB LYS 7 1.062 3.873 6.636 68 2HB LYS 7 3HB LYS 7 -0.184 4.182 7.840 69 1HG LYS 7 2HG LYS 7 1.261 2.202 9.117 70 2HG LYS 7 3HG LYS 7 2.503 2.832 8.025 71 1HD LYS 7 2HD LYS 7 2.809 4.117 9.942 72 2HD LYS 7 3HD LYS 7 1.860 5.177 8.882 73 1HE LYS 7 2HE LYS 7 -0.245 4.323 10.107 74 2HE LYS 7 3HE LYS 7 0.835 3.424 11.183 75 1HZ LYS 7 1HZ LYS 7 1.797 5.512 11.865 76 2HZ LYS 7 2HZ LYS 7 0.759 6.347 10.893 77 3HZ LYS 7 3HZ LYS 7 0.181 5.468 12.156 78 QB LYS 7 QB LYS 7 0.438 4.028 7.238 79 QG LYS 7 QG LYS 7 1.882 2.517 8.570 80 QD LYS 7 QD LYS 7 2.335 4.647 9.412 81 QE LYS 7 QE LYS 7 0.295 3.875 10.645 82 QZ LYS 7 QZ LYS 7 0.913 5.776 11.638 83 H SER 8 HN SER 8 -2.534 3.388 7.480 84 HA SER 8 HA SER 8 -3.207 2.275 9.993 85 1HB SER 8 2HB SER 8 -5.125 3.313 7.861 86 2HB SER 8 3HB SER 8 -5.498 3.009 9.561 87 HG SER 8 HG SER 8 -3.808 4.944 8.459 88 QB SER 8 QB SER 8 -5.311 3.161 8.711 89 H LYS 9 HN LYS 9 -4.111 1.285 6.662 90 HA LYS 9 HA LYS 9 -5.858 -0.809 7.443 91 1HB LYS 9 2HB LYS 9 -5.452 0.325 5.100 92 2HB LYS 9 3HB LYS 9 -4.164 -0.849 4.933 93 1HG LYS 9 2HG LYS 9 -6.084 -1.836 3.929 94 2HG LYS 9 3HG LYS 9 -6.067 -2.597 5.521 95 1HD LYS 9 2HD LYS 9 -7.520 -0.144 5.801 96 2HD LYS 9 3HD LYS 9 -8.008 -0.784 4.229 97 1HE LYS 9 2HE LYS 9 -8.744 -2.884 5.242 98 2HE LYS 9 3HE LYS 9 -8.039 -2.430 6.807 99 1HZ LYS 9 1HZ LYS 9 -9.604 -0.594 6.891 100 2HZ LYS 9 2HZ LYS 9 -10.315 -1.100 5.497 101 3HZ LYS 9 3HZ LYS 9 -10.361 -2.053 6.838 102 QB LYS 9 QB LYS 9 -4.808 -0.262 5.016 103 QG LYS 9 QG LYS 9 -6.076 -2.217 4.725 104 QD LYS 9 QD LYS 9 -7.764 -0.465 5.016 105 QE LYS 9 QE LYS 9 -8.392 -2.657 6.024 106 QZ LYS 9 QZ LYS 9 -10.093 -1.248 6.409 107 NH1 ARG 10 NH2 ARG 10 2.087 -1.001 4.335 108 NH2 ARG 10 NH1 ARG 10 2.580 0.992 5.431 109 H ARG 10 HN ARG 10 -2.344 -0.740 6.684 110 HA ARG 10 HA ARG 10 -1.673 -3.397 7.127 111 1HB ARG 10 2HB ARG 10 -0.261 -0.983 6.775 112 2HB ARG 10 3HB ARG 10 0.261 -1.524 8.367 113 1HG ARG 10 2HG ARG 10 0.641 -3.832 7.222 114 2HG ARG 10 3HG ARG 10 0.440 -2.936 5.716 115 1HD ARG 10 2HD ARG 10 2.512 -2.607 7.866 116 2HD ARG 10 3HD ARG 10 2.773 -3.021 6.159 117 HE ARG 10 HE ARG 10 2.875 -0.497 7.390 118 1HH1 ARG 10 2HH2 ARG 10 1.896 -1.989 4.385 119 2HH1 ARG 10 1HH2 ARG 10 2.056 -0.536 3.438 120 1HH2 ARG 10 2HH1 ARG 10 2.735 1.515 6.276 121 2HH2 ARG 10 1HH1 ARG 10 2.621 1.548 4.562 122 QB ARG 10 QB ARG 10 0.000 -1.254 7.571 123 QG ARG 10 QG ARG 10 0.540 -3.384 6.469 124 QD ARG 10 QD ARG 10 2.643 -2.814 7.013 125 QH1 ARG 10 QH2 ARG 10 1.977 -1.263 3.911 126 QH2 ARG 10 QH1 ARG 10 2.678 1.532 5.419 127 H ILE 11 HN ILE 11 -1.927 -0.764 9.493 128 HA ILE 11 HA ILE 11 -1.262 -2.226 11.822 129 HB ILE 11 HB ILE 11 -2.542 0.378 11.169 130 1HG1 ILE 11 2HG1 ILE 11 -1.194 0.980 13.245 131 2HG1 ILE 11 3HG1 ILE 11 -0.511 -0.643 13.174 132 1HG2 ILE 11 1HG2 ILE 11 -3.295 -0.936 13.793 133 2HG2 ILE 11 2HG2 ILE 11 -3.392 0.804 13.455 134 3HG2 ILE 11 3HG2 ILE 11 -4.388 -0.297 12.536 135 1HD1 ILE 11 1HD1 ILE 11 -0.441 1.499 11.002 136 2HD1 ILE 11 2HD1 ILE 11 0.926 0.993 12.018 137 3HD1 ILE 11 3HD1 ILE 11 0.255 -0.127 10.814 138 QG1 ILE 11 QG1 ILE 11 -0.853 0.168 13.210 139 QG2 ILE 11 QG2 ILE 11 -3.692 -0.143 13.262 140 QD1 ILE 11 QD1 ILE 11 0.246 0.789 11.278 141 H GLN 12 HN GLN 12 -4.508 -1.511 10.499 142 HA GLN 12 HA GLN 12 -5.823 -3.069 12.425 143 1HB GLN 12 2HB GLN 12 -6.669 -1.472 10.296 144 2HB GLN 12 3HB GLN 12 -7.195 -3.075 9.789 145 1HG GLN 12 2HG GLN 12 -7.949 -2.930 12.528 146 2HG GLN 12 3HG GLN 12 -8.226 -1.303 11.915 147 1HE2 GLN 12 2HE2 GLN 12 -10.810 -2.458 9.636 148 2HE2 GLN 12 1HE2 GLN 12 -9.449 -1.320 9.680 149 QB GLN 12 QB GLN 12 -6.932 -2.273 10.042 150 QG GLN 12 QG GLN 12 -8.087 -2.117 12.221 151 QE2 GLN 12 QE2 GLN 12 -10.130 -1.889 9.658 152 H LEU 13 HN LEU 13 -4.519 -4.045 9.303 153 HA LEU 13 HA LEU 13 -5.281 -6.820 9.342 154 1HB LEU 13 2HB LEU 13 -3.181 -5.121 8.008 155 2HB LEU 13 3HB LEU 13 -3.021 -6.859 7.912 156 HG LEU 13 HG LEU 13 -5.707 -5.635 7.255 157 1HD1 LEU 13 2HD1 LEU 13 -3.305 -5.630 5.402 158 2HD1 LEU 13 3HD1 LEU 13 -4.993 -5.288 4.934 159 3HD1 LEU 13 1HD1 LEU 13 -4.153 -4.220 6.053 160 1HD2 LEU 13 3HD2 LEU 13 -4.498 -8.255 7.032 161 2HD2 LEU 13 1HD2 LEU 13 -6.118 -7.743 6.544 162 3HD2 LEU 13 2HD2 LEU 13 -4.780 -7.647 5.392 163 QB LEU 13 QB LEU 13 -3.101 -5.991 7.960 164 QD1 LEU 13 QD1 LEU 13 -4.150 -5.046 5.463 165 QD2 LEU 13 QD2 LEU 13 -5.133 -7.882 6.323 166 QQD LEU 13 QQD LEU 13 -4.641 -6.463 5.893 167 H GLY 14 HN GLY 14 -2.563 -5.030 10.811 168 1HA GLY 14 1HA GLY 14 -1.374 -5.639 12.706 169 2HA GLY 14 2HA GLY 14 -2.053 -7.273 12.649 170 QA GLY 14 QA GLY 14 -1.714 -6.456 12.677 171 H LEU 15 HN LEU 15 -0.318 -5.336 10.157 172 HA LEU 15 HA LEU 15 1.921 -7.327 10.133 173 1HB LEU 15 2HB LEU 15 0.344 -6.243 7.773 174 2HB LEU 15 3HB LEU 15 1.806 -7.223 7.624 175 HG LEU 15 HG LEU 15 -0.685 -8.234 9.045 176 1HD1 LEU 15 1HD1 LEU 15 -0.419 -7.719 6.239 177 2HD1 LEU 15 2HD1 LEU 15 -0.407 -9.478 6.491 178 3HD1 LEU 15 3HD1 LEU 15 -1.744 -8.514 7.119 179 1HD2 LEU 15 2HD2 LEU 15 1.402 -9.483 9.526 180 2HD2 LEU 15 3HD2 LEU 15 0.239 -10.448 8.613 181 3HD2 LEU 15 1HD2 LEU 15 1.633 -9.736 7.781 182 QB LEU 15 QB LEU 15 1.075 -6.733 7.698 183 QD1 LEU 15 QD1 LEU 15 -0.857 -8.571 6.617 184 QD2 LEU 15 QD2 LEU 15 1.091 -9.890 8.640 185 QQD LEU 15 QQD LEU 15 0.117 -9.230 7.628 186 H ASN 16 HN ASN 16 3.894 -6.428 9.341 187 HA ASN 16 HA ASN 16 4.018 -3.450 9.629 188 1HB ASN 16 2HB ASN 16 6.414 -3.674 9.801 189 2HB ASN 16 3HB ASN 16 5.585 -4.651 11.018 190 1HD2 ASN 16 2HD2 ASN 16 8.278 -6.805 9.692 191 2HD2 ASN 16 1HD2 ASN 16 8.172 -5.362 10.683 192 QB ASN 16 QB ASN 16 6.000 -4.162 10.409 193 QD2 ASN 16 QD2 ASN 16 8.224 -6.084 10.187 194 H GLN 17 HN GLN 17 5.548 -2.305 8.133 195 HA GLN 17 HA GLN 17 4.700 -2.354 5.437 196 1HB GLN 17 2HB GLN 17 7.069 -1.245 6.884 197 2HB GLN 17 3HB GLN 17 6.972 -1.139 5.106 198 1HG GLN 17 2HG GLN 17 5.028 0.204 5.227 199 2HG GLN 17 3HG GLN 17 4.851 -0.077 6.986 200 1HE2 GLN 17 2HE2 GLN 17 6.962 3.089 5.872 201 2HE2 GLN 17 1HE2 GLN 17 5.665 2.387 4.931 202 QB GLN 17 QB GLN 17 7.021 -1.192 5.995 203 QG GLN 17 QG GLN 17 4.940 0.063 6.107 204 QE2 GLN 17 QE2 GLN 17 6.313 2.738 5.402 205 H ALA 18 HN ALA 18 7.317 -4.160 7.000 206 HA ALA 18 HA ALA 18 8.540 -5.133 4.626 207 1HB ALA 18 3HB ALA 18 9.436 -5.032 7.041 208 2HB ALA 18 1HB ALA 18 8.555 -6.548 7.303 209 3HB ALA 18 2HB ALA 18 9.832 -6.460 6.070 210 QB ALA 18 QB ALA 18 9.274 -6.013 6.805 211 H GLU 19 HN GLU 19 6.147 -6.715 6.860 212 HA GLU 19 HA GLU 19 5.820 -9.086 5.299 213 1HB GLU 19 2HB GLU 19 4.103 -7.653 7.355 214 2HB GLU 19 3HB GLU 19 3.532 -9.091 6.502 215 1HG GLU 19 2HG GLU 19 5.391 -10.423 7.316 216 2HG GLU 19 3HG GLU 19 6.079 -9.021 8.158 217 QB GLU 19 QB GLU 19 3.818 -8.371 6.929 218 QG GLU 19 QG GLU 19 5.735 -9.723 7.737 219 H LEU 20 HN LEU 20 4.081 -5.922 5.361 220 HA LEU 20 HA LEU 20 2.194 -6.759 3.407 221 1HB LEU 20 2HB LEU 20 1.987 -4.680 4.805 222 2HB LEU 20 3HB LEU 20 3.142 -3.897 3.704 223 HG LEU 20 HG LEU 20 1.290 -5.234 2.012 224 1HD1 LEU 20 2HD1 LEU 20 -0.110 -5.444 4.178 225 2HD1 LEU 20 3HD1 LEU 20 -0.434 -3.721 3.915 226 3HD1 LEU 20 1HD1 LEU 20 -0.869 -4.901 2.670 227 1HD2 LEU 20 3HD2 LEU 20 2.343 -2.862 1.829 228 2HD2 LEU 20 1HD2 LEU 20 0.796 -3.266 1.087 229 3HD2 LEU 20 2HD2 LEU 20 0.808 -2.337 2.579 230 QB LEU 20 QB LEU 20 2.564 -4.289 4.255 231 QD1 LEU 20 QD1 LEU 20 -0.471 -4.689 3.588 232 QD2 LEU 20 QD2 LEU 20 1.316 -2.822 1.832 233 QQD LEU 20 QQD LEU 20 0.422 -3.755 2.710 234 H ALA 21 HN ALA 21 5.415 -5.153 3.060 235 HA ALA 21 HA ALA 21 5.508 -5.005 0.259 236 1HB ALA 21 2HB ALA 21 7.668 -5.456 2.343 237 2HB ALA 21 3HB ALA 21 8.002 -5.334 0.623 238 3HB ALA 21 1HB ALA 21 7.247 -3.977 1.484 239 QB ALA 21 QB ALA 21 7.639 -4.921 1.484 240 H GLN 22 HN GLN 22 6.512 -7.798 2.331 241 HA GLN 22 HA GLN 22 7.174 -9.405 0.048 242 1HB GLN 22 2HB GLN 22 6.550 -10.103 2.938 243 2HB GLN 22 3HB GLN 22 6.865 -11.340 1.709 244 1HG GLN 22 2HG GLN 22 9.019 -10.185 1.125 245 2HG GLN 22 3HG GLN 22 8.777 -9.107 2.510 246 1HE2 GLN 22 2HE2 GLN 22 9.264 -11.843 4.899 247 2HE2 GLN 22 1HE2 GLN 22 8.232 -10.442 4.650 248 QB GLN 22 QB GLN 22 6.707 -10.722 2.323 249 QG GLN 22 QG GLN 22 8.898 -9.645 1.817 250 QE2 GLN 22 QE2 GLN 22 8.748 -11.142 4.775 251 H LYS 23 HN LYS 23 4.103 -9.156 1.912 252 HA LYS 23 HA LYS 23 2.709 -11.176 0.486 253 1HB LYS 23 2HB LYS 23 2.088 -10.303 2.689 254 2HB LYS 23 3HB LYS 23 1.877 -8.695 2.001 255 1HG LYS 23 2HG LYS 23 0.121 -10.177 0.459 256 2HG LYS 23 3HG LYS 23 0.059 -11.093 1.959 257 1HD LYS 23 2HD LYS 23 -0.140 -8.060 1.946 258 2HD LYS 23 3HD LYS 23 -1.528 -9.073 1.478 259 1HE LYS 23 2HE LYS 23 -1.423 -10.176 3.720 260 2HE LYS 23 3HE LYS 23 -0.127 -9.037 4.169 261 1HZ LYS 23 2HZ LYS 23 -2.840 -8.222 3.271 262 2HZ LYS 23 3HZ LYS 23 -2.389 -8.337 4.855 263 3HZ LYS 23 1HZ LYS 23 -1.684 -7.244 3.856 264 QB LYS 23 QB LYS 23 1.982 -9.499 2.344 265 QG LYS 23 QG LYS 23 0.090 -10.635 1.210 266 QD LYS 23 QD LYS 23 -0.834 -8.567 1.712 267 QE LYS 23 QE LYS 23 -0.775 -9.606 3.944 268 QZ LYS 23 QZ LYS 23 -2.305 -7.934 3.993 269 H VAL 24 HN VAL 24 3.335 -7.721 -0.185 270 HA VAL 24 HA VAL 24 1.639 -7.634 -2.551 271 HB VAL 24 HB VAL 24 3.730 -5.791 -1.311 272 1HG1 VAL 24 1HG1 VAL 24 2.201 -5.296 -3.874 273 2HG1 VAL 24 2HG1 VAL 24 3.179 -4.105 -3.002 274 3HG1 VAL 24 3HG1 VAL 24 3.959 -5.488 -3.773 275 1HG2 VAL 24 1HG2 VAL 24 0.747 -5.755 -1.834 276 2HG2 VAL 24 2HG2 VAL 24 1.517 -5.768 -0.249 277 3HG2 VAL 24 3HG2 VAL 24 1.633 -4.332 -1.268 278 QG1 VAL 24 QG1 VAL 24 3.113 -4.963 -3.550 279 QG2 VAL 24 QG2 VAL 24 1.299 -5.285 -1.117 280 QQG VAL 24 QQG VAL 24 2.206 -5.124 -2.333 281 H GLY 25 HN GLY 25 4.909 -8.675 -1.844 282 1HA GLY 25 1HA GLY 25 6.287 -9.936 -3.221 283 2HA GLY 25 2HA GLY 25 5.239 -9.637 -4.617 284 QA GLY 25 QA GLY 25 5.763 -9.787 -3.919 285 H THR 26 HN THR 26 6.553 -7.232 -2.337 286 HA THR 26 HA THR 26 8.618 -6.373 -4.246 287 HB THR 26 HB THR 26 6.567 -5.049 -4.774 288 HG1 THR 26 1HG THR 26 8.657 -4.225 -5.092 289 1HG2 THR 26 2HG2 THR 26 5.661 -4.886 -2.412 290 2HG2 THR 26 3HG2 THR 26 6.901 -3.700 -2.048 291 3HG2 THR 26 1HG2 THR 26 5.711 -3.357 -3.305 292 QG2 THR 26 QG2 THR 26 6.091 -3.980 -2.589 293 H THR 27 HN THR 27 9.108 -4.022 -2.646 294 HA THR 27 HA THR 27 10.178 -5.228 -0.108 295 HB THR 27 HB THR 27 12.111 -3.550 -0.686 296 HG1 THR 27 1HG THR 27 12.313 -3.501 -3.059 297 1HG2 THR 27 3HG2 THR 27 12.331 -6.041 -0.655 298 2HG2 THR 27 1HG2 THR 27 11.706 -6.119 -2.313 299 3HG2 THR 27 2HG2 THR 27 13.266 -5.333 -1.982 300 QG2 THR 27 QG2 THR 27 12.434 -5.831 -1.651 301 H GLN 28 HN GLN 28 10.510 -3.682 1.612 302 HA GLN 28 HA GLN 28 8.455 -1.920 2.155 303 1HB GLN 28 2HB GLN 28 10.036 -2.649 3.846 304 2HB GLN 28 3HB GLN 28 11.362 -1.774 3.052 305 1HG GLN 28 2HG GLN 28 10.311 0.383 3.555 306 2HG GLN 28 3HG GLN 28 8.869 -0.424 4.174 307 1HE2 GLN 28 2HE2 GLN 28 10.317 -0.281 7.408 308 2HE2 GLN 28 1HE2 GLN 28 8.878 -0.085 6.436 309 QB GLN 28 QB GLN 28 10.699 -2.212 3.449 310 QG GLN 28 QG GLN 28 9.590 -0.020 3.865 311 QE2 GLN 28 QE2 GLN 28 9.597 -0.183 6.921 312 H GLN 29 HN GLN 29 11.482 -1.230 0.418 313 HA GLN 29 HA GLN 29 11.376 1.492 0.217 314 1HB GLN 29 2HB GLN 29 12.922 -0.512 -0.928 315 2HB GLN 29 3HB GLN 29 12.059 0.081 -2.345 316 1HG GLN 29 2HG GLN 29 14.178 1.279 -2.049 317 2HG GLN 29 3HG GLN 29 12.812 2.388 -1.825 318 1HE2 GLN 29 2HE2 GLN 29 14.431 3.428 1.162 319 2HE2 GLN 29 1HE2 GLN 29 13.932 3.884 -0.456 320 QB GLN 29 QB GLN 29 12.490 -0.216 -1.636 321 QG GLN 29 QG GLN 29 13.496 1.834 -1.937 322 QE2 GLN 29 QE2 GLN 29 14.181 3.656 0.352 323 H SER 30 HN SER 30 9.456 -0.807 -1.709 324 HA SER 30 HA SER 30 8.304 1.147 -3.497 325 1HB SER 30 2HB SER 30 7.615 -1.656 -2.606 326 2HB SER 30 3HB SER 30 6.502 -0.764 -3.591 327 HG SER 30 HG SER 30 8.249 -2.047 -4.653 328 QB SER 30 QB SER 30 7.059 -1.210 -3.098 329 H ILE 31 HN ILE 31 7.142 -0.269 -0.360 330 HA ILE 31 HA ILE 31 4.753 1.268 -0.316 331 HB ILE 31 HB ILE 31 6.372 -0.102 1.888 332 1HG1 ILE 31 2HG1 ILE 31 4.449 -1.655 1.818 333 2HG1 ILE 31 3HG1 ILE 31 3.778 -0.752 0.432 334 1HG2 ILE 31 1HG2 ILE 31 3.724 1.378 1.899 335 2HG2 ILE 31 2HG2 ILE 31 4.154 0.192 3.132 336 3HG2 ILE 31 3HG2 ILE 31 5.122 1.654 2.956 337 1HD1 ILE 31 3HD1 ILE 31 6.444 -2.176 0.371 338 2HD1 ILE 31 1HD1 ILE 31 4.892 -2.937 -0.061 339 3HD1 ILE 31 2HD1 ILE 31 5.480 -1.589 -1.020 340 QG1 ILE 31 QG1 ILE 31 4.113 -1.204 1.125 341 QG2 ILE 31 QG2 ILE 31 4.333 1.074 2.663 342 QD1 ILE 31 QD1 ILE 31 5.605 -2.234 -0.237 343 H GLU 32 HN GLU 32 7.889 1.792 1.390 344 HA GLU 32 HA GLU 32 7.411 4.280 2.506 345 1HB GLU 32 2HB GLU 32 9.387 2.863 2.856 346 2HB GLU 32 3HB GLU 32 10.008 3.333 1.272 347 1HG GLU 32 2HG GLU 32 10.977 5.120 2.254 348 2HG GLU 32 3HG GLU 32 9.383 5.789 2.613 349 QB GLU 32 QB GLU 32 9.698 3.098 2.064 350 QG GLU 32 QG GLU 32 10.180 5.455 2.433 351 H GLN 33 HN GLN 33 8.539 3.571 -0.841 352 HA GLN 33 HA GLN 33 8.726 6.157 -1.863 353 1HB GLN 33 2HB GLN 33 9.481 4.679 -3.379 354 2HB GLN 33 3HB GLN 33 8.280 3.457 -3.014 355 1HG GLN 33 2HG GLN 33 6.615 4.387 -4.349 356 2HG GLN 33 3HG GLN 33 7.459 5.931 -4.509 357 1HE2 GLN 33 2HE2 GLN 33 9.092 4.917 -7.438 358 2HE2 GLN 33 1HE2 GLN 33 8.575 6.226 -6.383 359 QB GLN 33 QB GLN 33 8.880 4.067 -3.196 360 QG GLN 33 QG GLN 33 7.037 5.159 -4.428 361 QE2 GLN 33 QE2 GLN 33 8.834 5.572 -6.911 362 H LEU 34 HN LEU 34 5.799 4.043 -1.883 363 HA LEU 34 HA LEU 34 4.212 6.137 -3.031 364 1HB LEU 34 2HB LEU 34 3.734 3.658 -3.138 365 2HB LEU 34 3HB LEU 34 3.216 3.743 -1.447 366 HG LEU 34 HG LEU 34 1.467 5.419 -2.111 367 1HD1 LEU 34 2HD1 LEU 34 2.579 4.914 -4.901 368 2HD1 LEU 34 3HD1 LEU 34 0.932 5.516 -4.624 369 3HD1 LEU 34 1HD1 LEU 34 2.313 6.469 -4.093 370 1HD2 LEU 34 1HD2 LEU 34 1.419 2.762 -3.596 371 2HD2 LEU 34 2HD2 LEU 34 0.896 3.061 -1.933 372 3HD2 LEU 34 3HD2 LEU 34 0.006 3.788 -3.283 373 QB LEU 34 QB LEU 34 3.476 3.700 -2.292 374 QD1 LEU 34 QD1 LEU 34 1.942 5.633 -4.540 375 QD2 LEU 34 QD2 LEU 34 0.774 3.204 -2.937 376 QQD LEU 34 QQD LEU 34 1.358 4.418 -3.738 377 H GLU 35 HN GLU 35 4.769 5.079 0.291 378 HA GLU 35 HA GLU 35 2.999 6.682 1.684 379 1HB GLU 35 2HB GLU 35 5.467 5.181 2.254 380 2HB GLU 35 3HB GLU 35 5.291 6.584 3.282 381 1HG GLU 35 2HG GLU 35 4.438 4.651 4.389 382 2HG GLU 35 3HG GLU 35 3.114 5.759 4.081 383 QB GLU 35 QB GLU 35 5.379 5.882 2.768 384 QG GLU 35 QG GLU 35 3.777 5.205 4.235 385 H ASN 36 HN ASN 36 6.319 7.545 0.506 386 HA ASN 36 HA ASN 36 6.017 10.277 1.471 387 1HB ASN 36 2HB ASN 36 8.055 10.824 0.516 388 2HB ASN 36 3HB ASN 36 8.232 9.213 1.214 389 1HD2 ASN 36 2HD2 ASN 36 9.649 8.119 -1.818 390 2HD2 ASN 36 1HD2 ASN 36 9.580 8.023 -0.071 391 QB ASN 36 QB ASN 36 8.143 10.019 0.865 392 QD2 ASN 36 QD2 ASN 36 9.615 8.071 -0.944 393 H GLY 37 HN GLY 37 4.555 8.714 -1.139 394 1HA GLY 37 1HA GLY 37 3.189 9.466 -2.762 395 2HA GLY 37 2HA GLY 37 3.225 11.041 -1.964 396 QA GLY 37 QA GLY 37 3.207 10.254 -2.362 397 H LYS 38 HN LYS 38 5.962 9.333 -3.480 398 HA LYS 38 HA LYS 38 6.439 11.610 -5.285 399 1HB LYS 38 2HB LYS 38 8.433 10.388 -5.996 400 2HB LYS 38 3HB LYS 38 8.354 10.627 -4.254 401 1HG LYS 38 2HG LYS 38 7.544 8.302 -3.967 402 2HG LYS 38 3HG LYS 38 7.573 8.045 -5.707 403 1HD LYS 38 2HD LYS 38 9.985 8.738 -3.948 404 2HD LYS 38 3HD LYS 38 9.495 7.104 -4.347 405 1HE LYS 38 2HE LYS 38 11.017 7.301 -5.990 406 2HE LYS 38 3HE LYS 38 9.669 8.003 -6.893 407 1HZ LYS 38 1HZ LYS 38 11.369 9.759 -5.298 408 2HZ LYS 38 2HZ LYS 38 11.947 9.176 -6.720 409 3HZ LYS 38 3HZ LYS 38 10.565 10.071 -6.701 410 QB LYS 38 QB LYS 38 8.393 10.508 -5.125 411 QG LYS 38 QG LYS 38 7.559 8.174 -4.836 412 QD LYS 38 QD LYS 38 9.740 7.921 -4.148 413 QE LYS 38 QE LYS 38 10.344 7.652 -6.442 414 QZ LYS 38 QZ LYS 38 11.294 9.669 -6.240 415 H THR 39 HN THR 39 4.568 8.740 -5.577 416 HA THR 39 HA THR 39 4.687 8.899 -8.558 417 HB THR 39 HB THR 39 4.722 6.413 -6.800 418 HG1 THR 39 1HG THR 39 6.733 6.185 -7.588 419 1HG2 THR 39 2HG2 THR 39 4.261 6.777 -9.792 420 2HG2 THR 39 3HG2 THR 39 4.913 5.275 -9.121 421 3HG2 THR 39 1HG2 THR 39 3.325 5.843 -8.609 422 QG2 THR 39 QG2 THR 39 4.167 5.965 -9.174 423 H LYS 40 HN LYS 40 2.785 8.901 -9.526 424 HA LYS 40 HA LYS 40 0.369 9.262 -7.982 425 1HB LYS 40 2HB LYS 40 -0.682 9.335 -10.287 426 2HB LYS 40 3HB LYS 40 0.467 10.604 -9.880 427 1HG LYS 40 2HG LYS 40 1.619 8.216 -11.295 428 2HG LYS 40 3HG LYS 40 0.486 9.165 -12.212 429 1HD LYS 40 2HD LYS 40 2.864 10.468 -10.776 430 2HD LYS 40 3HD LYS 40 2.974 9.728 -12.377 431 1HE LYS 40 2HE LYS 40 0.794 11.297 -12.806 432 2HE LYS 40 3HE LYS 40 1.534 12.243 -11.510 433 1HZ LYS 40 1HZ LYS 40 3.005 11.375 -13.915 434 2HZ LYS 40 2HZ LYS 40 2.169 12.782 -13.850 435 3HZ LYS 40 3HZ LYS 40 3.443 12.543 -12.840 436 QB LYS 40 QB LYS 40 -0.107 9.969 -10.083 437 QG LYS 40 QG LYS 40 1.052 8.691 -11.753 438 QD LYS 40 QD LYS 40 2.919 10.098 -11.577 439 QE LYS 40 QE LYS 40 1.164 11.770 -12.159 440 QZ LYS 40 QZ LYS 40 2.872 12.233 -13.535 441 NH1 ARG 41 NH2 ARG 41 -3.525 2.781 -14.547 442 NH2 ARG 41 NH1 ARG 41 -1.548 1.807 -15.264 443 H ARG 41 HN ARG 41 1.596 6.632 -10.131 444 HA ARG 41 HA ARG 41 -0.293 4.782 -8.839 445 1HB ARG 41 2HB ARG 41 -1.339 5.724 -10.949 446 2HB ARG 41 3HB ARG 41 -0.075 4.884 -11.863 447 1HG ARG 41 2HG ARG 41 -0.811 2.724 -10.677 448 2HG ARG 41 3HG ARG 41 -2.091 3.682 -9.921 449 1HD ARG 41 2HD ARG 41 -3.170 2.673 -11.705 450 2HD ARG 41 3HD ARG 41 -2.843 4.322 -12.287 451 HE ARG 41 HE ARG 41 -0.696 2.549 -12.999 452 1HH1 ARG 41 2HH2 ARG 41 -4.045 3.265 -13.831 453 2HH1 ARG 41 1HH2 ARG 41 -3.992 2.556 -15.412 454 1HH2 ARG 41 2HH1 ARG 41 -0.591 1.532 -15.097 455 2HH2 ARG 41 1HH1 ARG 41 -1.971 1.549 -16.143 456 QB ARG 41 QB ARG 41 -0.708 5.304 -11.406 457 QG ARG 41 QG ARG 41 -1.451 3.203 -10.299 458 QD ARG 41 QD ARG 41 -3.006 3.498 -11.996 459 QH1 ARG 41 QH2 ARG 41 -4.018 2.911 -14.621 460 QH2 ARG 41 QH1 ARG 41 -1.281 1.541 -15.620 461 HA PRO 42 HA PRO 42 3.859 2.862 -9.349 462 1HB PRO 42 2HB PRO 42 3.585 0.998 -7.322 463 2HB PRO 42 3HB PRO 42 4.116 2.677 -7.061 464 1HG PRO 42 2HG PRO 42 1.463 1.410 -6.550 465 2HG PRO 42 3HG PRO 42 2.264 2.728 -5.667 466 1HD PRO 42 2HD PRO 42 0.232 3.037 -7.624 467 2HD PRO 42 3HD PRO 42 1.256 4.331 -7.038 468 QB PRO 42 QB PRO 42 3.850 1.837 -7.192 469 QG PRO 42 QG PRO 42 1.863 2.069 -6.108 470 QD PRO 42 QD PRO 42 0.743 3.684 -7.332 471 NH1 ARG 43 NH2 ARG 43 6.808 -2.584 -15.662 472 NH2 ARG 43 NH1 ARG 43 8.020 -0.630 -15.971 473 H ARG 43 HN ARG 43 4.473 0.474 -9.554 474 HA ARG 43 HA ARG 43 2.653 -0.847 -11.409 475 1HB ARG 43 2HB ARG 43 5.263 -1.796 -10.130 476 2HB ARG 43 3HB ARG 43 4.371 -2.608 -11.420 477 1HG ARG 43 2HG ARG 43 4.663 0.040 -12.374 478 2HG ARG 43 3HG ARG 43 6.198 -0.301 -11.553 479 1HD ARG 43 2HD ARG 43 6.285 -2.484 -12.856 480 2HD ARG 43 3HD ARG 43 4.840 -1.926 -13.745 481 HE ARG 43 HE ARG 43 6.848 0.091 -13.854 482 1HH1 ARG 43 2HH2 ARG 43 6.146 -3.116 -15.116 483 2HH1 ARG 43 1HH2 ARG 43 7.188 -3.000 -16.499 484 1HH2 ARG 43 2HH1 ARG 43 8.295 0.292 -15.665 485 2HH2 ARG 43 1HH1 ARG 43 8.440 -0.997 -16.813 486 QB ARG 43 QB ARG 43 4.817 -2.202 -10.775 487 QG ARG 43 QG ARG 43 5.430 -0.130 -11.964 488 QD ARG 43 QD ARG 43 5.562 -2.205 -13.300 489 QH1 ARG 43 QH2 ARG 43 6.667 -3.058 -15.807 490 QH2 ARG 43 QH1 ARG 43 8.367 -0.352 -16.239 491 H PHE 44 HN PHE 44 3.585 -1.214 -8.010 492 HA PHE 44 HA PHE 44 2.052 -3.719 -7.759 493 1HB PHE 44 2HB PHE 44 2.946 -3.699 -5.467 494 2HB PHE 44 3HB PHE 44 4.201 -3.646 -6.677 495 HD1 PHE 44 1HD PHE 44 2.431 -1.710 -4.050 496 HD2 PHE 44 2HD PHE 44 5.657 -1.661 -6.900 497 HE1 PHE 44 1HE PHE 44 3.116 0.525 -3.228 498 HE2 PHE 44 2HE PHE 44 6.327 0.591 -6.089 499 HZ PHE 44 HZ PHE 44 5.065 1.662 -4.243 500 QB PHE 44 QB PHE 44 3.573 -3.672 -6.072 501 QR PHE 44 QR PHE 44 4.383 -0.564 -5.067 502 H LEU 45 HN LEU 45 0.835 -0.889 -8.250 503 HA LEU 45 HA LEU 45 -0.611 -0.243 -5.926 504 1HB LEU 45 2HB LEU 45 -0.234 0.999 -8.149 505 2HB LEU 45 3HB LEU 45 -1.652 0.190 -8.746 506 HG LEU 45 HG LEU 45 -1.939 2.529 -7.903 507 1HD1 LEU 45 2HD1 LEU 45 -3.739 0.953 -8.203 508 2HD1 LEU 45 3HD1 LEU 45 -3.647 0.492 -6.486 509 3HD1 LEU 45 1HD1 LEU 45 -4.083 2.153 -6.940 510 1HD2 LEU 45 1HD2 LEU 45 -0.518 2.290 -5.745 511 2HD2 LEU 45 2HD2 LEU 45 -2.074 3.109 -5.616 512 3HD2 LEU 45 3HD2 LEU 45 -1.897 1.426 -5.085 513 QB LEU 45 QB LEU 45 -0.943 0.595 -8.447 514 QD1 LEU 45 QD1 LEU 45 -3.823 1.199 -7.210 515 QD2 LEU 45 QD2 LEU 45 -1.496 2.275 -5.482 516 QQD LEU 45 QQD LEU 45 -2.660 1.738 -6.346 517 HA PRO 46 HA PRO 46 -4.089 -3.256 -7.341 518 1HB PRO 46 2HB PRO 46 -3.410 -5.356 -9.009 519 2HB PRO 46 3HB PRO 46 -4.168 -3.836 -9.539 520 1HG PRO 46 2HG PRO 46 -1.347 -4.713 -9.859 521 2HG PRO 46 3HG PRO 46 -2.289 -3.560 -10.838 522 1HD PRO 46 2HD PRO 46 -0.389 -3.019 -8.838 523 2HD PRO 46 3HD PRO 46 -1.437 -1.807 -9.622 524 QB PRO 46 QB PRO 46 -3.789 -4.596 -9.274 525 QG PRO 46 QG PRO 46 -1.817 -4.136 -10.349 526 QD PRO 46 QD PRO 46 -0.913 -2.413 -9.230 527 H GLU 47 HN GLU 47 -0.811 -4.631 -7.277 528 HA GLU 47 HA GLU 47 -1.366 -6.930 -5.761 529 1HB GLU 47 2HB GLU 47 1.146 -5.211 -5.781 530 2HB GLU 47 3HB GLU 47 1.025 -6.910 -5.286 531 1HG GLU 47 2HG GLU 47 0.306 -7.478 -7.620 532 2HG GLU 47 3HG GLU 47 0.583 -5.795 -8.104 533 QB GLU 47 QB GLU 47 1.086 -6.061 -5.534 534 QG GLU 47 QG GLU 47 0.445 -6.636 -7.862 535 H LEU 48 HN LEU 48 -0.527 -3.597 -4.721 536 HA LEU 48 HA LEU 48 -0.634 -4.175 -1.916 537 1HB LEU 48 2HB LEU 48 0.656 -2.406 -3.015 538 2HB LEU 48 3HB LEU 48 -0.815 -1.457 -3.224 539 HG LEU 48 HG LEU 48 -0.456 -2.432 -0.454 540 1HD1 LEU 48 2HD1 LEU 48 1.736 -0.634 -1.610 541 2HD1 LEU 48 3HD1 LEU 48 1.478 -0.956 0.111 542 3HD1 LEU 48 1HD1 LEU 48 1.996 -2.256 -0.961 543 1HD2 LEU 48 1HD2 LEU 48 -0.560 0.384 -1.588 544 2HD2 LEU 48 2HD2 LEU 48 -1.933 -0.576 -0.969 545 3HD2 LEU 48 3HD2 LEU 48 -0.639 -0.091 0.121 546 QB LEU 48 QB LEU 48 -0.079 -1.932 -3.119 547 QD1 LEU 48 QD1 LEU 48 1.737 -1.282 -0.820 548 QD2 LEU 48 QD2 LEU 48 -1.044 -0.094 -0.812 549 QQD LEU 48 QQD LEU 48 0.346 -0.688 -0.816 550 H ALA 49 HN ALA 49 -3.016 -2.888 -4.231 551 HA ALA 49 HA ALA 49 -5.113 -2.406 -2.388 552 1HB ALA 49 2HB ALA 49 -4.848 -2.662 -5.286 553 2HB ALA 49 3HB ALA 49 -6.344 -3.403 -4.732 554 3HB ALA 49 1HB ALA 49 -5.999 -1.718 -4.330 555 QB ALA 49 QB ALA 49 -5.730 -2.595 -4.782 556 H SER 50 HN SER 50 -4.519 -5.392 -4.287 557 HA SER 50 HA SER 50 -6.576 -6.878 -2.965 558 1HB SER 50 2HB SER 50 -5.322 -8.869 -3.917 559 2HB SER 50 3HB SER 50 -5.861 -7.650 -5.082 560 HG SER 50 HG SER 50 -3.767 -6.852 -5.195 561 QB SER 50 QB SER 50 -5.591 -8.260 -4.499 562 H ALA 51 HN ALA 51 -3.035 -6.762 -2.400 563 HA ALA 51 HA ALA 51 -2.789 -8.523 -0.298 564 1HB ALA 51 1HB ALA 51 -1.478 -5.850 -0.845 565 2HB ALA 51 2HB ALA 51 -0.938 -6.843 0.469 566 3HB ALA 51 3HB ALA 51 -0.829 -7.475 -1.188 567 QB ALA 51 QB ALA 51 -1.082 -6.723 -0.521 568 H LEU 52 HN LEU 52 -3.732 -5.064 -0.073 569 HA LEU 52 HA LEU 52 -4.169 -5.198 2.803 570 1HB LEU 52 2HB LEU 52 -4.695 -3.175 0.608 571 2HB LEU 52 3HB LEU 52 -5.352 -2.935 2.214 572 HG LEU 52 HG LEU 52 -2.382 -3.301 1.609 573 1HD1 LEU 52 3HD1 LEU 52 -3.358 -1.181 0.741 574 2HD1 LEU 52 1HD1 LEU 52 -3.932 -0.790 2.375 575 3HD1 LEU 52 2HD1 LEU 52 -2.188 -0.935 2.047 576 1HD2 LEU 52 2HD2 LEU 52 -3.979 -2.870 4.148 577 2HD2 LEU 52 3HD2 LEU 52 -2.673 -4.002 3.867 578 3HD2 LEU 52 1HD2 LEU 52 -2.308 -2.279 4.043 579 QB LEU 52 QB LEU 52 -5.024 -3.055 1.411 580 QD1 LEU 52 QD1 LEU 52 -3.159 -0.968 1.721 581 QD2 LEU 52 QD2 LEU 52 -2.986 -3.050 4.019 582 QQD LEU 52 QQD LEU 52 -3.073 -2.009 2.871 583 H GLY 53 HN GLY 53 -6.168 -5.541 -0.072 584 1HA GLY 53 1HA GLY 53 -8.194 -6.706 -0.184 585 2HA GLY 53 2HA GLY 53 -8.458 -6.505 1.555 586 QA GLY 53 QA GLY 53 -8.325 -6.606 0.686 587 H VAL 54 HN VAL 54 -7.622 -4.142 -1.032 588 HA VAL 54 HA VAL 54 -10.261 -2.823 -0.803 589 HB VAL 54 HB VAL 54 -9.203 -0.608 -0.731 590 1HG1 VAL 54 2HG1 VAL 54 -9.853 -1.867 1.399 591 2HG1 VAL 54 3HG1 VAL 54 -8.117 -2.162 1.634 592 3HG1 VAL 54 1HG1 VAL 54 -8.741 -0.502 1.573 593 1HG2 VAL 54 2HG2 VAL 54 -6.585 -2.154 -0.418 594 2HG2 VAL 54 3HG2 VAL 54 -7.028 -1.033 -1.726 595 3HG2 VAL 54 1HG2 VAL 54 -6.757 -0.437 -0.081 596 QG1 VAL 54 QG1 VAL 54 -8.904 -1.510 1.536 597 QG2 VAL 54 QG2 VAL 54 -6.790 -1.208 -0.742 598 QQG VAL 54 QQG VAL 54 -7.847 -1.360 0.397 599 H SER 55 HN SER 55 -10.390 -1.103 -2.694 600 HA SER 55 HA SER 55 -9.604 -2.526 -5.123 601 1HB SER 55 2HB SER 55 -11.052 -0.750 -6.166 602 2HB SER 55 3HB SER 55 -11.874 -1.751 -4.954 603 HG SER 55 HG SER 55 -12.161 0.593 -4.758 604 QB SER 55 QB SER 55 -11.464 -1.251 -5.560 605 H VAL 56 HN VAL 56 -8.450 -1.568 -6.810 606 HA VAL 56 HA VAL 56 -6.197 0.117 -6.277 607 HB VAL 56 HB VAL 56 -7.738 -0.873 -8.711 608 1HG1 VAL 56 3HG1 VAL 56 -5.750 1.382 -8.772 609 2HG1 VAL 56 1HG1 VAL 56 -5.721 0.159 -10.055 610 3HG1 VAL 56 2HG1 VAL 56 -7.191 1.097 -9.745 611 1HG2 VAL 56 1HG2 VAL 56 -6.094 -2.257 -7.379 612 2HG2 VAL 56 2HG2 VAL 56 -5.768 -2.138 -9.114 613 3HG2 VAL 56 3HG2 VAL 56 -4.817 -1.170 -7.968 614 QG1 VAL 56 QG1 VAL 56 -6.220 0.879 -9.524 615 QG2 VAL 56 QG2 VAL 56 -5.559 -1.855 -8.153 616 QQG VAL 56 QQG VAL 56 -5.890 -0.488 -8.839 617 H ASP 57 HN ASP 57 -9.451 0.763 -7.572 618 HA ASP 57 HA ASP 57 -9.239 3.452 -8.150 619 1HB ASP 57 2HB ASP 57 -11.683 2.192 -6.851 620 2HB ASP 57 3HB ASP 57 -11.622 3.447 -8.089 621 QB ASP 57 QB ASP 57 -11.653 2.820 -7.470 622 CH2 TRP 58 CH2 TRP 58 -7.692 2.714 2.383 623 H TRP 58 HN TRP 58 -9.767 1.815 -5.009 624 HA TRP 58 HA TRP 58 -10.059 4.320 -3.555 625 1HB TRP 58 2HB TRP 58 -11.119 2.247 -2.789 626 2HB TRP 58 3HB TRP 58 -9.532 1.530 -2.513 627 HD1 TRP 58 HD1 TRP 58 -11.751 4.383 -1.247 628 HE1 TRP 58 HE1 TRP 58 -11.166 4.939 1.171 629 HE3 TRP 58 HE3 TRP 58 -7.526 1.592 -0.836 630 HZ2 TRP 58 HZ2 TRP 58 -9.183 4.074 3.139 631 HZ3 TRP 58 HZ3 TRP 58 -6.234 1.565 1.292 632 HH2 TRP 58 HH2 TRP 58 -7.077 2.768 3.270 633 QB TRP 58 QB TRP 58 -10.326 1.888 -2.651 634 H LEU 59 HN LEU 59 -7.367 1.922 -4.099 635 HA LEU 59 HA LEU 59 -5.568 3.344 -2.448 636 1HB LEU 59 2HB LEU 59 -5.340 1.334 -4.589 637 2HB LEU 59 3HB LEU 59 -3.925 2.352 -4.477 638 HG LEU 59 HG LEU 59 -5.207 0.876 -2.150 639 1HD1 LEU 59 1HD1 LEU 59 -4.116 -0.529 -4.011 640 2HD1 LEU 59 2HD1 LEU 59 -2.570 0.127 -3.475 641 3HD1 LEU 59 3HD1 LEU 59 -3.576 -0.777 -2.338 642 1HD2 LEU 59 3HD2 LEU 59 -3.707 2.942 -1.572 643 2HD2 LEU 59 1HD2 LEU 59 -3.328 1.400 -0.821 644 3HD2 LEU 59 2HD2 LEU 59 -2.365 1.986 -2.194 645 QB LEU 59 QB LEU 59 -4.632 1.844 -4.533 646 QD1 LEU 59 QD1 LEU 59 -3.421 -0.393 -3.275 647 QD2 LEU 59 QD2 LEU 59 -3.133 2.109 -1.529 648 QQD LEU 59 QQD LEU 59 -3.277 0.857 -2.402 649 H LEU 60 HN LEU 60 -6.532 4.040 -5.774 650 HA LEU 60 HA LEU 60 -4.697 6.288 -6.045 651 1HB LEU 60 2HB LEU 60 -6.973 5.137 -7.659 652 2HB LEU 60 3HB LEU 60 -6.324 6.727 -8.080 653 HG LEU 60 HG LEU 60 -4.496 4.341 -7.696 654 1HD1 LEU 60 2HD1 LEU 60 -6.127 3.710 -9.417 655 2HD1 LEU 60 3HD1 LEU 60 -5.819 5.225 -10.292 656 3HD1 LEU 60 1HD1 LEU 60 -4.534 4.006 -10.135 657 1HD2 LEU 60 3HD2 LEU 60 -3.930 7.054 -8.027 658 2HD2 LEU 60 1HD2 LEU 60 -2.843 5.705 -8.392 659 3HD2 LEU 60 2HD2 LEU 60 -3.817 6.440 -9.679 660 QB LEU 60 QB LEU 60 -6.649 5.932 -7.870 661 QD1 LEU 60 QD1 LEU 60 -5.493 4.314 -9.948 662 QD2 LEU 60 QD2 LEU 60 -3.530 6.400 -8.700 663 QQD LEU 60 QQD LEU 60 -4.512 5.357 -9.323 664 H ASN 61 HN ASN 61 -8.245 6.063 -5.468 665 HA ASN 61 HA ASN 61 -8.479 8.969 -5.084 666 1HB ASN 61 2HB ASN 61 -10.449 6.672 -4.650 667 2HB ASN 61 3HB ASN 61 -10.794 8.351 -4.260 668 1HD2 ASN 61 2HD2 ASN 61 -10.947 7.132 -8.145 669 2HD2 ASN 61 1HD2 ASN 61 -10.253 6.091 -6.902 670 QB ASN 61 QB ASN 61 -10.621 7.511 -4.455 671 QD2 ASN 61 QD2 ASN 61 -10.599 6.612 -7.524 672 H GLY 62 HN GLY 62 -9.011 6.131 -2.957 673 1HA GLY 62 1HA GLY 62 -8.276 5.929 -0.755 674 2HA GLY 62 2HA GLY 62 -8.103 7.691 -0.677 675 QA GLY 62 QA GLY 62 -8.190 6.810 -0.717 676 H THR 63 HN THR 63 -11.064 7.210 -2.002 677 HA THR 63 HA THR 63 -12.534 6.971 0.540 678 HB THR 63 HB THR 63 -13.518 9.173 0.168 679 HG1 THR 63 1HG THR 63 -12.721 9.199 -2.114 680 1HG2 THR 63 3HG2 THR 63 -11.599 8.982 1.772 681 2HG2 THR 63 1HG2 THR 63 -10.527 9.572 0.471 682 3HG2 THR 63 2HG2 THR 63 -11.836 10.593 1.075 683 QG2 THR 63 QG2 THR 63 -11.321 9.715 1.106 684 H SER 64 HN SER 64 -13.707 5.317 -0.274 685 HA SER 64 HA SER 64 -15.202 4.141 -1.435 686 1HB SER 64 2HB SER 64 -16.576 6.270 -1.297 687 2HB SER 64 3HB SER 64 -15.977 6.659 -2.936 688 HG SER 64 HG SER 64 -17.689 5.553 -3.463 689 QB SER 64 QB SER 64 -16.276 6.465 -2.116 690 H ASP 65 HN ASP 65 -16.058 3.873 -3.795 691 HA ASP 65 HA ASP 65 -13.767 3.411 -5.635 692 1HB ASP 65 2HB ASP 65 -15.249 1.497 -5.364 693 2HB ASP 65 3HB ASP 65 -16.685 2.509 -5.635 694 QB ASP 65 QB ASP 65 -15.967 2.003 -5.499 695 H SER 66 HN SER 66 -13.338 5.395 -6.526 696 HA SER 66 HA SER 66 -13.554 7.269 -7.790 697 1HB SER 66 2HB SER 66 -15.787 5.643 -9.085 698 2HB SER 66 3HB SER 66 -14.885 6.992 -9.799 699 HG SER 66 HG SER 66 -13.943 4.412 -9.092 700 QB SER 66 QB SER 66 -15.336 6.318 -9.442 701 H ASN 67 HN ASN 67 -14.197 8.736 -6.180 702 HA ASN 67 HA ASN 67 -15.348 10.562 -5.571 703 1HB ASN 67 2HB ASN 67 -17.892 9.626 -6.963 704 2HB ASN 67 3HB ASN 67 -17.531 11.197 -6.292 705 1HD2 ASN 67 2HD2 ASN 67 -16.218 10.239 -10.058 706 2HD2 ASN 67 1HD2 ASN 67 -16.839 9.003 -8.950 707 QB ASN 67 QB ASN 67 -17.712 10.411 -6.627 708 QD2 ASN 67 QD2 ASN 67 -16.528 9.622 -9.504 709 H VAL 68 HN VAL 68 -16.243 10.845 -3.555 710 HA VAL 68 HA VAL 68 -16.755 8.588 -1.951 711 HB VAL 68 HB VAL 68 -17.539 11.483 -1.442 712 1HG1 VAL 68 2HG1 VAL 68 -17.260 9.123 0.477 713 2HG1 VAL 68 3HG1 VAL 68 -17.462 10.825 0.951 714 3HG1 VAL 68 1HG1 VAL 68 -18.753 10.005 0.082 715 1HG2 VAL 68 1HG2 VAL 68 -15.006 9.895 -1.237 716 2HG2 VAL 68 2HG2 VAL 68 -15.228 11.605 -1.622 717 3HG2 VAL 68 3HG2 VAL 68 -15.328 11.061 0.060 718 QG1 VAL 68 QG1 VAL 68 -17.825 9.984 0.504 719 QG2 VAL 68 QG2 VAL 68 -15.187 10.854 -0.933 720 QQG VAL 68 QQG VAL 68 -16.506 10.419 -0.215 721 NH1 ARG 69 NH2 ARG 69 -23.332 4.028 -4.203 722 NH2 ARG 69 NH1 ARG 69 -25.037 5.053 -3.012 723 H ARG 69 HN ARG 69 -18.575 7.511 -1.309 724 HA ARG 69 HA ARG 69 -20.858 7.491 -3.056 725 1HB ARG 69 2HB ARG 69 -19.941 6.048 -0.560 726 2HB ARG 69 3HB ARG 69 -21.662 6.180 -0.792 727 1HG ARG 69 2HG ARG 69 -20.922 5.310 -3.308 728 2HG ARG 69 3HG ARG 69 -19.681 4.557 -2.302 729 1HD ARG 69 2HD ARG 69 -21.570 3.011 -2.430 730 2HD ARG 69 3HD ARG 69 -21.483 3.670 -0.806 731 HE ARG 69 HE ARG 69 -23.443 4.846 -1.085 732 1HH1 ARG 69 2HH2 ARG 69 -22.388 3.672 -4.223 733 2HH1 ARG 69 1HH2 ARG 69 -23.858 4.060 -5.061 734 1HH2 ARG 69 2HH1 ARG 69 -25.372 5.484 -2.162 735 2HH2 ARG 69 1HH1 ARG 69 -25.611 5.115 -3.840 736 QB ARG 69 QB ARG 69 -20.802 6.114 -0.675 737 QG ARG 69 QG ARG 69 -20.301 4.934 -2.805 738 QD ARG 69 QD ARG 69 -21.526 3.341 -1.618 739 QH1 ARG 69 QH2 ARG 69 -23.123 3.866 -4.641 740 QH2 ARG 69 QH1 ARG 69 -25.491 5.300 -3.001 Start of MODEL 5 Raw file had 740 H/Q atoms Start of MODEL 5 1 H SER 1 HN SER 1 -4.839 11.528 4.860 2 HA SER 1 HA SER 1 -4.579 11.567 2.128 3 1HB SER 1 2HB SER 1 -2.247 10.926 3.972 4 2HB SER 1 3HB SER 1 -2.318 12.057 2.600 5 HG SER 1 HG SER 1 -2.652 13.363 4.350 6 QB SER 1 QB SER 1 -2.283 11.491 3.287 7 H ILE 2 HN ILE 2 -2.863 10.158 0.871 8 HA ILE 2 HA ILE 2 -3.965 7.578 0.514 9 HB ILE 2 HB ILE 2 -1.252 8.597 -0.383 10 1HG1 ILE 2 2HG1 ILE 2 -2.705 10.263 -1.177 11 2HG1 ILE 2 3HG1 ILE 2 -2.568 9.143 -2.533 12 1HG2 ILE 2 3HG2 ILE 2 -2.343 6.036 -0.706 13 2HG2 ILE 2 1HG2 ILE 2 -2.733 6.844 -2.223 14 3HG2 ILE 2 2HG2 ILE 2 -1.057 6.775 -1.668 15 1HD1 ILE 2 3HD1 ILE 2 -4.733 8.076 -1.742 16 2HD1 ILE 2 1HD1 ILE 2 -4.855 9.384 -0.555 17 3HD1 ILE 2 2HD1 ILE 2 -4.876 9.788 -2.261 18 QG1 ILE 2 QG1 ILE 2 -2.636 9.702 -1.856 19 QG2 ILE 2 QG2 ILE 2 -2.044 6.552 -1.533 20 QD1 ILE 2 QD1 ILE 2 -4.821 9.083 -1.519 21 H SER 3 HN SER 3 -0.821 8.547 1.882 22 HA SER 3 HA SER 3 0.208 6.155 2.847 23 1HB SER 3 2HB SER 3 1.223 7.767 4.548 24 2HB SER 3 3HB SER 3 1.394 8.230 2.841 25 HG SER 3 HG SER 3 0.341 9.729 4.653 26 QB SER 3 QB SER 3 1.309 7.998 3.694 27 H SER 4 HN SER 4 -2.070 8.423 4.429 28 HA SER 4 HA SER 4 -2.339 6.920 6.842 29 1HB SER 4 2HB SER 4 -3.169 9.083 7.013 30 2HB SER 4 3HB SER 4 -4.089 8.951 5.513 31 HG SER 4 HG SER 4 -4.725 7.593 7.907 32 QB SER 4 QB SER 4 -3.629 9.017 6.263 33 NH1 ARG 5 NH2 ARG 5 -7.320 9.211 1.948 34 NH2 ARG 5 NH1 ARG 5 -7.306 9.635 -0.310 35 H ARG 5 HN ARG 5 -4.175 6.621 3.721 36 HA ARG 5 HA ARG 5 -5.930 4.601 4.809 37 1HB ARG 5 2HB ARG 5 -5.306 4.522 1.876 38 2HB ARG 5 3HB ARG 5 -6.799 4.345 2.788 39 1HG ARG 5 2HG ARG 5 -6.514 6.874 3.320 40 2HG ARG 5 3HG ARG 5 -5.472 6.816 1.872 41 1HD ARG 5 2HD ARG 5 -7.638 5.436 0.949 42 2HD ARG 5 3HD ARG 5 -8.434 6.478 2.116 43 HE ARG 5 HE ARG 5 -7.691 7.137 -0.499 44 1HH1 ARG 5 2HH2 ARG 5 -7.306 8.541 2.702 45 2HH1 ARG 5 1HH2 ARG 5 -7.407 10.193 2.141 46 1HH2 ARG 5 2HH1 ARG 5 -7.138 9.300 -1.245 47 2HH2 ARG 5 1HH1 ARG 5 -7.297 10.634 -0.166 48 QB ARG 5 QB ARG 5 -6.052 4.434 2.332 49 QG ARG 5 QG ARG 5 -5.993 6.844 2.596 50 QD ARG 5 QD ARG 5 -8.036 5.957 1.532 51 QH1 ARG 5 QH2 ARG 5 -7.356 9.367 2.422 52 QH2 ARG 5 QH1 ARG 5 -7.217 9.967 -0.706 53 H VAL 6 HN VAL 6 -2.991 4.461 2.832 54 HA VAL 6 HA VAL 6 -2.768 1.710 2.503 55 HB VAL 6 HB VAL 6 -0.618 3.843 2.673 56 1HG1 VAL 6 2HG1 VAL 6 -0.532 1.011 1.537 57 2HG1 VAL 6 3HG1 VAL 6 0.731 2.248 1.287 58 3HG1 VAL 6 1HG1 VAL 6 0.351 1.680 2.921 59 1HG2 VAL 6 2HG2 VAL 6 -2.557 3.872 0.784 60 2HG2 VAL 6 3HG2 VAL 6 -0.862 4.256 0.430 61 3HG2 VAL 6 1HG2 VAL 6 -1.490 2.653 0.073 62 QG1 VAL 6 QG1 VAL 6 0.183 1.646 1.916 63 QG2 VAL 6 QG2 VAL 6 -1.636 3.594 0.429 64 QQG VAL 6 QQG VAL 6 -0.726 2.619 1.172 65 H LYS 7 HN LYS 7 -1.117 3.760 4.946 66 HA LYS 7 HA LYS 7 -0.079 1.662 6.449 67 1HB LYS 7 2HB LYS 7 0.413 4.258 6.517 68 2HB LYS 7 3HB LYS 7 -0.794 4.240 7.813 69 1HG LYS 7 2HG LYS 7 0.704 2.132 8.609 70 2HG LYS 7 3HG LYS 7 1.927 2.916 7.606 71 1HD LYS 7 2HD LYS 7 0.373 4.182 9.914 72 2HD LYS 7 3HD LYS 7 2.003 3.540 10.049 73 1HE LYS 7 2HE LYS 7 1.106 5.932 8.353 74 2HE LYS 7 3HE LYS 7 2.040 5.970 9.851 75 1HZ LYS 7 1HZ LYS 7 3.781 4.700 8.617 76 2HZ LYS 7 2HZ LYS 7 2.963 4.975 7.212 77 3HZ LYS 7 3HZ LYS 7 3.528 6.230 8.082 78 QB LYS 7 QB LYS 7 -0.190 4.249 7.165 79 QG LYS 7 QG LYS 7 1.316 2.525 8.108 80 QD LYS 7 QD LYS 7 1.188 3.861 9.981 81 QE LYS 7 QE LYS 7 1.573 5.951 9.102 82 QZ LYS 7 QZ LYS 7 3.424 5.302 7.970 83 H SER 8 HN SER 8 -3.164 3.519 6.995 84 HA SER 8 HA SER 8 -4.120 2.313 9.318 85 1HB SER 8 2HB SER 8 -5.677 3.078 6.818 86 2HB SER 8 3HB SER 8 -6.416 2.531 8.327 87 HG SER 8 HG SER 8 -4.809 4.813 7.938 88 QB SER 8 QB SER 8 -6.047 2.804 7.573 89 H LYS 9 HN LYS 9 -4.321 1.047 5.941 90 HA LYS 9 HA LYS 9 -5.702 -1.303 6.736 91 1HB LYS 9 2HB LYS 9 -4.996 -0.157 4.331 92 2HB LYS 9 3HB LYS 9 -3.887 -1.533 4.414 93 1HG LYS 9 2HG LYS 9 -5.798 -2.391 3.388 94 2HG LYS 9 3HG LYS 9 -5.959 -2.951 5.050 95 1HD LYS 9 2HD LYS 9 -7.485 -0.911 5.432 96 2HD LYS 9 3HD LYS 9 -7.342 -0.553 3.696 97 1HE LYS 9 2HE LYS 9 -8.350 -2.664 3.114 98 2HE LYS 9 3HE LYS 9 -8.341 -3.244 4.781 99 1HZ LYS 9 3HZ LYS 9 -9.926 -0.865 3.911 100 2HZ LYS 9 1HZ LYS 9 -10.562 -2.354 4.079 101 3HZ LYS 9 2HZ LYS 9 -9.968 -1.600 5.366 102 QB LYS 9 QB LYS 9 -4.442 -0.845 4.372 103 QG LYS 9 QG LYS 9 -5.879 -2.671 4.219 104 QD LYS 9 QD LYS 9 -7.413 -0.732 4.564 105 QE LYS 9 QE LYS 9 -8.346 -2.954 3.947 106 QZ LYS 9 QZ LYS 9 -10.152 -1.606 4.452 107 NH1 ARG 10 NH2 ARG 10 1.561 -0.479 3.273 108 NH2 ARG 10 NH1 ARG 10 2.441 1.378 4.349 109 H ARG 10 HN ARG 10 -2.208 -0.630 6.338 110 HA ARG 10 HA ARG 10 -1.099 -3.121 6.909 111 1HB ARG 10 2HB ARG 10 -0.119 -0.583 6.624 112 2HB ARG 10 3HB ARG 10 0.088 -0.774 8.360 113 1HG ARG 10 2HG ARG 10 2.052 -1.753 7.870 114 2HG ARG 10 3HG ARG 10 1.103 -3.172 7.399 115 1HD ARG 10 2HD ARG 10 2.515 -2.683 5.562 116 2HD ARG 10 3HD ARG 10 0.866 -2.189 5.134 117 HE ARG 10 HE ARG 10 2.796 -0.203 6.238 118 1HH1 ARG 10 2HH2 ARG 10 1.269 -1.442 3.307 119 2HH1 ARG 10 1HH2 ARG 10 1.490 0.020 2.399 120 1HH2 ARG 10 2HH1 ARG 10 2.779 1.830 5.182 121 2HH2 ARG 10 1HH1 ARG 10 2.125 2.054 3.653 122 QB ARG 10 QB ARG 10 -0.016 -0.678 7.492 123 QG ARG 10 QG ARG 10 1.577 -2.463 7.634 124 QD ARG 10 QD ARG 10 1.691 -2.437 5.348 125 QH1 ARG 10 QH2 ARG 10 1.380 -0.711 2.853 126 QH2 ARG 10 QH1 ARG 10 2.452 1.941 4.418 127 H ILE 11 HN ILE 11 -2.187 -0.627 9.252 128 HA ILE 11 HA ILE 11 -1.660 -2.171 11.609 129 HB ILE 11 HB ILE 11 -3.657 0.090 11.187 130 1HG1 ILE 11 2HG1 ILE 11 -1.944 1.146 12.823 131 2HG1 ILE 11 3HG1 ILE 11 -0.809 -0.093 12.292 132 1HG2 ILE 11 1HG2 ILE 11 -4.376 -1.349 13.095 133 2HG2 ILE 11 2HG2 ILE 11 -2.737 -1.222 13.774 134 3HG2 ILE 11 3HG2 ILE 11 -3.780 0.207 13.635 135 1HD1 ILE 11 1HD1 ILE 11 -2.234 1.741 10.348 136 2HD1 ILE 11 2HD1 ILE 11 -0.793 2.274 11.207 137 3HD1 ILE 11 3HD1 ILE 11 -0.682 0.866 10.144 138 QG1 ILE 11 QG1 ILE 11 -1.377 0.527 12.557 139 QG2 ILE 11 QG2 ILE 11 -3.631 -0.788 13.502 140 QD1 ILE 11 QD1 ILE 11 -1.236 1.627 10.566 141 H GLN 12 HN GLN 12 -4.777 -1.666 9.866 142 HA GLN 12 HA GLN 12 -6.252 -3.493 11.450 143 1HB GLN 12 2HB GLN 12 -6.645 -2.619 8.569 144 2HB GLN 12 3HB GLN 12 -7.820 -3.611 9.441 145 1HG GLN 12 2HG GLN 12 -6.886 -0.889 10.451 146 2HG GLN 12 3HG GLN 12 -8.301 -1.117 9.424 147 1HE2 GLN 12 2HE2 GLN 12 -10.368 -2.359 12.035 148 2HE2 GLN 12 1HE2 GLN 12 -10.218 -2.126 10.303 149 QB GLN 12 QB GLN 12 -7.233 -3.115 9.005 150 QG GLN 12 QG GLN 12 -7.594 -1.003 9.937 151 QE2 GLN 12 QE2 GLN 12 -10.294 -2.243 11.169 152 H LEU 13 HN LEU 13 -4.199 -4.199 8.682 153 HA LEU 13 HA LEU 13 -4.819 -7.010 8.426 154 1HB LEU 13 2HB LEU 13 -2.532 -5.195 7.606 155 2HB LEU 13 3HB LEU 13 -2.420 -6.927 7.359 156 HG LEU 13 HG LEU 13 -4.942 -5.619 6.421 157 1HD1 LEU 13 1HD1 LEU 13 -2.864 -4.174 5.645 158 2HD1 LEU 13 2HD1 LEU 13 -2.576 -5.521 4.546 159 3HD1 LEU 13 3HD1 LEU 13 -4.136 -4.666 4.535 160 1HD2 LEU 13 3HD2 LEU 13 -4.462 -8.102 6.243 161 2HD2 LEU 13 1HD2 LEU 13 -4.763 -7.327 4.674 162 3HD2 LEU 13 2HD2 LEU 13 -3.107 -7.720 5.168 163 QB LEU 13 QB LEU 13 -2.476 -6.061 7.483 164 QD1 LEU 13 QD1 LEU 13 -3.191 -4.787 4.909 165 QD2 LEU 13 QD2 LEU 13 -4.110 -7.716 5.362 166 QQD LEU 13 QQD LEU 13 -3.651 -6.252 5.135 167 H GLY 14 HN GLY 14 -2.768 -5.098 10.572 168 1HA GLY 14 1HA GLY 14 -1.823 -5.718 12.564 169 2HA GLY 14 2HA GLY 14 -2.262 -7.410 12.275 170 QA GLY 14 QA GLY 14 -2.043 -6.564 12.420 171 H LEU 15 HN LEU 15 -0.423 -5.249 10.067 172 HA LEU 15 HA LEU 15 2.058 -6.833 10.510 173 1HB LEU 15 2HB LEU 15 0.585 -6.464 7.869 174 2HB LEU 15 3HB LEU 15 2.228 -7.088 8.003 175 HG LEU 15 HG LEU 15 -0.108 -8.470 9.393 176 1HD1 LEU 15 3HD1 LEU 15 0.899 -8.867 6.563 177 2HD1 LEU 15 1HD1 LEU 15 -0.124 -10.025 7.456 178 3HD1 LEU 15 2HD1 LEU 15 -0.733 -8.409 7.088 179 1HD2 LEU 15 2HD2 LEU 15 2.331 -9.038 10.026 180 2HD2 LEU 15 3HD2 LEU 15 1.328 -10.381 9.462 181 3HD2 LEU 15 1HD2 LEU 15 2.493 -9.633 8.370 182 QB LEU 15 QB LEU 15 1.407 -6.776 7.936 183 QD1 LEU 15 QD1 LEU 15 0.014 -9.101 7.035 184 QD2 LEU 15 QD2 LEU 15 2.051 -9.684 9.286 185 QQD LEU 15 QQD LEU 15 1.032 -9.392 8.161 186 H ASN 16 HN ASN 16 3.857 -5.827 9.185 187 HA ASN 16 HA ASN 16 3.674 -2.851 9.419 188 1HB ASN 16 2HB ASN 16 5.981 -2.789 9.872 189 2HB ASN 16 3HB ASN 16 5.328 -4.061 10.903 190 1HD2 ASN 16 2HD2 ASN 16 7.060 -6.707 9.198 191 2HD2 ASN 16 1HD2 ASN 16 5.775 -6.286 10.310 192 QB ASN 16 QB ASN 16 5.655 -3.425 10.388 193 QD2 ASN 16 QD2 ASN 16 6.418 -6.496 9.754 194 H GLN 17 HN GLN 17 5.539 -1.906 7.979 195 HA GLN 17 HA GLN 17 4.623 -1.965 5.282 196 1HB GLN 17 2HB GLN 17 7.008 -0.770 6.684 197 2HB GLN 17 3HB GLN 17 6.870 -0.702 4.917 198 1HG GLN 17 2HG GLN 17 4.675 0.395 5.155 199 2HG GLN 17 3HG GLN 17 4.839 0.372 6.922 200 1HE2 GLN 17 2HE2 GLN 17 7.048 3.010 4.631 201 2HE2 GLN 17 1HE2 GLN 17 6.456 1.548 3.880 202 QB GLN 17 QB GLN 17 6.939 -0.736 5.800 203 QG GLN 17 QG GLN 17 4.757 0.383 6.038 204 QE2 GLN 17 QE2 GLN 17 6.752 2.279 4.256 205 H ALA 18 HN ALA 18 7.532 -3.506 6.739 206 HA ALA 18 HA ALA 18 8.559 -4.426 4.215 207 1HB ALA 18 2HB ALA 18 9.901 -4.099 6.347 208 2HB ALA 18 3HB ALA 18 9.129 -5.563 6.985 209 3HB ALA 18 1HB ALA 18 10.144 -5.659 5.536 210 QB ALA 18 QB ALA 18 9.725 -5.107 6.289 211 H GLU 19 HN GLU 19 6.707 -5.999 6.840 212 HA GLU 19 HA GLU 19 6.319 -8.537 5.651 213 1HB GLU 19 2HB GLU 19 4.838 -6.842 7.641 214 2HB GLU 19 3HB GLU 19 3.876 -8.065 6.819 215 1HG GLU 19 2HG GLU 19 6.491 -8.746 8.180 216 2HG GLU 19 3HG GLU 19 4.907 -8.883 8.956 217 QB GLU 19 QB GLU 19 4.357 -7.454 7.230 218 QG GLU 19 QG GLU 19 5.699 -8.815 8.568 219 H LEU 20 HN LEU 20 4.212 -5.620 5.388 220 HA LEU 20 HA LEU 20 2.472 -6.798 3.523 221 1HB LEU 20 2HB LEU 20 2.049 -4.775 4.800 222 2HB LEU 20 3HB LEU 20 3.208 -3.878 3.803 223 HG LEU 20 HG LEU 20 1.192 -5.401 2.227 224 1HD1 LEU 20 3HD1 LEU 20 -0.084 -4.543 4.402 225 2HD1 LEU 20 1HD1 LEU 20 -0.132 -3.040 3.451 226 3HD1 LEU 20 2HD1 LEU 20 -0.774 -4.542 2.788 227 1HD2 LEU 20 1HD2 LEU 20 2.438 -2.656 2.191 228 2HD2 LEU 20 2HD2 LEU 20 2.350 -3.883 0.941 229 3HD2 LEU 20 3HD2 LEU 20 0.905 -2.931 1.353 230 QB LEU 20 QB LEU 20 2.629 -4.326 4.302 231 QD1 LEU 20 QD1 LEU 20 -0.330 -4.042 3.547 232 QD2 LEU 20 QD2 LEU 20 1.897 -3.157 1.495 233 QQD LEU 20 QQD LEU 20 0.784 -3.599 2.521 234 H ALA 21 HN ALA 21 5.551 -5.007 2.948 235 HA ALA 21 HA ALA 21 5.502 -5.005 0.144 236 1HB ALA 21 3HB ALA 21 7.298 -4.091 1.880 237 2HB ALA 21 1HB ALA 21 8.097 -5.633 1.540 238 3HB ALA 21 2HB ALA 21 7.740 -4.517 0.215 239 QB ALA 21 QB ALA 21 7.711 -4.747 1.212 240 H GLN 22 HN GLN 22 6.584 -7.605 2.389 241 HA GLN 22 HA GLN 22 7.297 -9.455 0.308 242 1HB GLN 22 2HB GLN 22 6.406 -10.073 3.165 243 2HB GLN 22 3HB GLN 22 7.113 -11.194 1.995 244 1HG GLN 22 2HG GLN 22 9.070 -9.464 1.848 245 2HG GLN 22 3HG GLN 22 8.436 -8.852 3.384 246 1HE2 GLN 22 2HE2 GLN 22 11.064 -11.511 3.967 247 2HE2 GLN 22 1HE2 GLN 22 11.052 -10.018 3.043 248 QB GLN 22 QB GLN 22 6.760 -10.633 2.580 249 QG GLN 22 QG GLN 22 8.754 -9.158 2.616 250 QE2 GLN 22 QE2 GLN 22 11.058 -10.764 3.505 251 H LYS 23 HN LYS 23 4.225 -8.963 2.102 252 HA LYS 23 HA LYS 23 2.825 -11.091 0.763 253 1HB LYS 23 2HB LYS 23 1.706 -8.539 1.987 254 2HB LYS 23 3HB LYS 23 0.773 -9.975 1.571 255 1HG LYS 23 2HG LYS 23 2.986 -9.875 3.680 256 2HG LYS 23 3HG LYS 23 1.249 -9.801 3.977 257 1HD LYS 23 2HD LYS 23 1.003 -12.091 2.996 258 2HD LYS 23 3HD LYS 23 2.734 -12.130 2.657 259 1HE LYS 23 2HE LYS 23 2.213 -13.414 4.669 260 2HE LYS 23 3HE LYS 23 3.352 -12.100 4.975 261 1HZ LYS 23 1HZ LYS 23 0.491 -11.769 5.495 262 2HZ LYS 23 2HZ LYS 23 1.518 -12.436 6.599 263 3HZ LYS 23 3HZ LYS 23 1.798 -10.913 6.089 264 QB LYS 23 QB LYS 23 1.239 -9.258 1.779 265 QG LYS 23 QG LYS 23 2.118 -9.839 3.829 266 QD LYS 23 QD LYS 23 1.869 -12.110 2.827 267 QE LYS 23 QE LYS 23 2.782 -12.757 4.822 268 QZ LYS 23 QZ LYS 23 1.269 -11.706 6.061 269 H VAL 24 HN VAL 24 3.378 -7.736 -0.154 270 HA VAL 24 HA VAL 24 1.757 -7.841 -2.563 271 HB VAL 24 HB VAL 24 3.948 -5.994 -1.532 272 1HG1 VAL 24 1HG1 VAL 24 2.306 -5.762 -4.068 273 2HG1 VAL 24 2HG1 VAL 24 3.223 -4.427 -3.356 274 3HG1 VAL 24 3HG1 VAL 24 4.074 -5.852 -3.981 275 1HG2 VAL 24 2HG2 VAL 24 1.718 -5.917 -0.384 276 2HG2 VAL 24 3HG2 VAL 24 2.076 -4.450 -1.309 277 3HG2 VAL 24 1HG2 VAL 24 0.954 -5.669 -1.955 278 QG1 VAL 24 QG1 VAL 24 3.200 -5.347 -3.802 279 QG2 VAL 24 QG2 VAL 24 1.583 -5.346 -1.215 280 QQG VAL 24 QQG VAL 24 2.391 -5.347 -2.509 281 H GLY 25 HN GLY 25 5.087 -8.729 -1.705 282 1HA GLY 25 1HA GLY 25 6.520 -10.109 -2.901 283 2HA GLY 25 2HA GLY 25 5.433 -10.091 -4.300 284 QA GLY 25 QA GLY 25 5.976 -10.101 -3.601 285 H THR 26 HN THR 26 6.689 -7.332 -2.440 286 HA THR 26 HA THR 26 8.492 -6.537 -4.669 287 HB THR 26 HB THR 26 6.367 -5.284 -4.886 288 HG1 THR 26 1HG THR 26 7.391 -3.338 -5.144 289 1HG2 THR 26 3HG2 THR 26 6.006 -5.143 -2.279 290 2HG2 THR 26 1HG2 THR 26 7.058 -3.723 -2.373 291 3HG2 THR 26 2HG2 THR 26 5.555 -3.763 -3.293 292 QG2 THR 26 QG2 THR 26 6.207 -4.209 -2.648 293 H THR 27 HN THR 27 9.186 -4.181 -3.304 294 HA THR 27 HA THR 27 10.859 -5.243 -1.040 295 HB THR 27 HB THR 27 12.427 -3.398 -1.938 296 HG1 THR 27 1HG THR 27 10.439 -2.717 -3.317 297 1HG2 THR 27 1HG2 THR 27 11.786 -5.826 -3.673 298 2HG2 THR 27 2HG2 THR 27 13.236 -4.817 -3.834 299 3HG2 THR 27 3HG2 THR 27 12.954 -5.731 -2.339 300 QG2 THR 27 QG2 THR 27 12.658 -5.458 -3.282 301 H GLN 28 HN GLN 28 10.889 -4.045 0.819 302 HA GLN 28 HA GLN 28 8.827 -2.369 1.514 303 1HB GLN 28 2HB GLN 28 10.395 -3.569 3.031 304 2HB GLN 28 3HB GLN 28 11.610 -2.332 2.742 305 1HG GLN 28 2HG GLN 28 8.915 -1.282 3.555 306 2HG GLN 28 3HG GLN 28 9.647 -2.354 4.745 307 1HE2 GLN 28 2HE2 GLN 28 10.646 1.125 5.578 308 2HE2 GLN 28 1HE2 GLN 28 9.087 0.377 5.295 309 QB GLN 28 QB GLN 28 11.002 -2.951 2.886 310 QG GLN 28 QG GLN 28 9.281 -1.817 4.150 311 QE2 GLN 28 QE2 GLN 28 9.866 0.751 5.437 312 H GLN 29 HN GLN 29 11.932 -1.382 0.081 313 HA GLN 29 HA GLN 29 11.863 1.363 0.358 314 1HB GLN 29 2HB GLN 29 13.180 1.465 -1.611 315 2HB GLN 29 3HB GLN 29 13.597 -0.040 -0.771 316 1HG GLN 29 2HG GLN 29 12.059 -1.222 -2.384 317 2HG GLN 29 3HG GLN 29 11.953 0.279 -3.318 318 1HE2 GLN 29 2HE2 GLN 29 15.303 0.140 -4.535 319 2HE2 GLN 29 1HE2 GLN 29 14.052 1.269 -4.047 320 QB GLN 29 QB GLN 29 13.388 0.713 -1.191 321 QG GLN 29 QG GLN 29 12.006 -0.472 -2.851 322 QE2 GLN 29 QE2 GLN 29 14.677 0.704 -4.291 323 H SER 30 HN SER 30 10.061 -0.615 -1.948 324 HA SER 30 HA SER 30 8.933 1.578 -3.464 325 1HB SER 30 2HB SER 30 7.997 -1.314 -3.174 326 2HB SER 30 3HB SER 30 7.372 -0.128 -4.317 327 HG SER 30 HG SER 30 10.119 -0.826 -4.201 328 QB SER 30 QB SER 30 7.685 -0.721 -3.746 329 H ILE 31 HN ILE 31 7.895 -0.293 -0.637 330 HA ILE 31 HA ILE 31 5.239 0.819 -0.464 331 HB ILE 31 HB ILE 31 6.983 -0.411 1.696 332 1HG1 ILE 31 2HG1 ILE 31 6.811 -2.069 -0.050 333 2HG1 ILE 31 3HG1 ILE 31 5.761 -2.497 1.299 334 1HG2 ILE 31 3HG2 ILE 31 4.537 0.859 2.072 335 2HG2 ILE 31 1HG2 ILE 31 4.100 -0.850 1.959 336 3HG2 ILE 31 2HG2 ILE 31 5.310 -0.342 3.121 337 1HD1 ILE 31 3HD1 ILE 31 3.926 -1.204 -0.236 338 2HD1 ILE 31 1HD1 ILE 31 5.041 -1.743 -1.500 339 3HD1 ILE 31 2HD1 ILE 31 4.304 -2.923 -0.406 340 QG1 ILE 31 QG1 ILE 31 6.286 -2.283 0.624 341 QG2 ILE 31 QG2 ILE 31 4.649 -0.111 2.384 342 QD1 ILE 31 QD1 ILE 31 4.424 -1.956 -0.715 343 H GLU 32 HN GLU 32 8.369 1.560 1.144 344 HA GLU 32 HA GLU 32 7.530 3.789 2.683 345 1HB GLU 32 2HB GLU 32 9.569 2.657 3.131 346 2HB GLU 32 3HB GLU 32 10.191 2.932 1.513 347 1HG GLU 32 2HG GLU 32 9.510 5.423 3.039 348 2HG GLU 32 3HG GLU 32 10.781 4.438 3.757 349 QB GLU 32 QB GLU 32 9.881 2.795 2.322 350 QG GLU 32 QG GLU 32 10.146 4.931 3.397 351 H GLN 33 HN GLN 33 9.130 3.765 -0.532 352 HA GLN 33 HA GLN 33 8.897 6.441 -1.199 353 1HB GLN 33 2HB GLN 33 10.116 5.242 -2.693 354 2HB GLN 33 3HB GLN 33 8.997 3.876 -2.748 355 1HG GLN 33 2HG GLN 33 7.588 4.791 -4.228 356 2HG GLN 33 3HG GLN 33 8.058 6.471 -3.879 357 1HE2 GLN 33 2HE2 GLN 33 10.209 4.363 -6.651 358 2HE2 GLN 33 1HE2 GLN 33 9.148 3.497 -5.552 359 QB GLN 33 QB GLN 33 9.556 4.559 -2.720 360 QG GLN 33 QG GLN 33 7.823 5.631 -4.054 361 QE2 GLN 33 QE2 GLN 33 9.679 3.931 -6.101 362 H LEU 34 HN LEU 34 6.386 3.920 -1.857 363 HA LEU 34 HA LEU 34 4.547 5.822 -2.871 364 1HB LEU 34 2HB LEU 34 4.442 3.385 -3.271 365 2HB LEU 34 3HB LEU 34 3.939 3.151 -1.592 366 HG LEU 34 HG LEU 34 1.901 4.590 -2.072 367 1HD1 LEU 34 1HD1 LEU 34 3.014 4.455 -4.902 368 2HD1 LEU 34 2HD1 LEU 34 1.311 4.812 -4.551 369 3HD1 LEU 34 3HD1 LEU 34 2.566 5.916 -3.986 370 1HD2 LEU 34 3HD2 LEU 34 1.929 2.112 -2.164 371 2HD2 LEU 34 1HD2 LEU 34 0.713 2.838 -3.238 372 3HD2 LEU 34 2HD2 LEU 34 2.225 2.200 -3.916 373 QB LEU 34 QB LEU 34 4.191 3.268 -2.431 374 QD1 LEU 34 QD1 LEU 34 2.297 5.061 -4.479 375 QD2 LEU 34 QD2 LEU 34 1.622 2.384 -3.106 376 QQD LEU 34 QQD LEU 34 1.960 3.722 -3.792 377 H GLU 35 HN GLU 35 4.963 4.601 0.493 378 HA GLU 35 HA GLU 35 2.843 6.021 1.742 379 1HB GLU 35 2HB GLU 35 5.541 5.048 2.683 380 2HB GLU 35 3HB GLU 35 4.547 6.020 3.754 381 1HG GLU 35 2HG GLU 35 3.263 3.646 2.451 382 2HG GLU 35 3HG GLU 35 4.475 3.340 3.697 383 QB GLU 35 QB GLU 35 5.044 5.534 3.219 384 QG GLU 35 QG GLU 35 3.869 3.493 3.074 385 H ASN 36 HN ASN 36 6.135 7.099 0.786 386 HA ASN 36 HA ASN 36 5.825 9.730 1.965 387 1HB ASN 36 2HB ASN 36 7.568 8.873 -0.345 388 2HB ASN 36 3HB ASN 36 7.728 10.376 0.571 389 1HD2 ASN 36 2HD2 ASN 36 10.128 7.550 1.674 390 2HD2 ASN 36 1HD2 ASN 36 9.512 7.914 0.102 391 QB ASN 36 QB ASN 36 7.649 9.624 0.113 392 QD2 ASN 36 QD2 ASN 36 9.820 7.732 0.887 393 H GLY 37 HN GLY 37 4.165 8.347 -0.682 394 1HA GLY 37 1HA GLY 37 2.777 9.224 -2.234 395 2HA GLY 37 2HA GLY 37 2.833 10.741 -1.324 396 QA GLY 37 QA GLY 37 2.805 9.982 -1.779 397 H LYS 38 HN LYS 38 5.687 9.220 -2.770 398 HA LYS 38 HA LYS 38 5.987 11.576 -4.577 399 1HB LYS 38 2HB LYS 38 8.296 11.112 -4.679 400 2HB LYS 38 3HB LYS 38 7.753 11.108 -2.985 401 1HG LYS 38 2HG LYS 38 7.780 8.653 -2.967 402 2HG LYS 38 3HG LYS 38 8.205 8.621 -4.684 403 1HD LYS 38 2HD LYS 38 10.105 8.090 -3.345 404 2HD LYS 38 3HD LYS 38 10.403 9.571 -4.238 405 1HE LYS 38 2HE LYS 38 9.386 9.603 -1.359 406 2HE LYS 38 3HE LYS 38 11.099 9.354 -1.688 407 1HZ LYS 38 2HZ LYS 38 9.619 11.684 -2.686 408 2HZ LYS 38 3HZ LYS 38 10.422 11.663 -1.252 409 3HZ LYS 38 1HZ LYS 38 11.248 11.456 -2.658 410 QB LYS 38 QB LYS 38 8.024 11.110 -3.832 411 QG LYS 38 QG LYS 38 7.992 8.636 -3.826 412 QD LYS 38 QD LYS 38 10.254 8.831 -3.791 413 QE LYS 38 QE LYS 38 10.243 9.479 -1.523 414 QZ LYS 38 QZ LYS 38 10.430 11.600 -2.198 415 H THR 39 HN THR 39 5.116 8.245 -4.735 416 HA THR 39 HA THR 39 5.920 7.838 -7.524 417 HB THR 39 HB THR 39 4.094 6.260 -5.706 418 HG1 THR 39 1HG THR 39 6.669 6.720 -5.570 419 1HG2 THR 39 3HG2 THR 39 4.234 5.719 -8.350 420 2HG2 THR 39 1HG2 THR 39 5.745 4.941 -7.854 421 3HG2 THR 39 2HG2 THR 39 4.207 4.451 -7.131 422 QG2 THR 39 QG2 THR 39 4.729 5.037 -7.778 423 H LYS 40 HN LYS 40 4.603 7.929 -9.262 424 HA LYS 40 HA LYS 40 2.005 9.312 -9.059 425 1HB LYS 40 2HB LYS 40 3.878 8.564 -11.331 426 2HB LYS 40 3HB LYS 40 2.260 9.197 -11.628 427 1HG LYS 40 2HG LYS 40 4.349 10.620 -9.915 428 2HG LYS 40 3HG LYS 40 4.111 10.905 -11.640 429 1HD LYS 40 2HD LYS 40 2.517 12.420 -11.182 430 2HD LYS 40 3HD LYS 40 1.505 11.113 -10.613 431 1HE LYS 40 2HE LYS 40 1.538 12.794 -8.921 432 2HE LYS 40 3HE LYS 40 2.423 11.406 -8.284 433 1HZ LYS 40 1HZ LYS 40 3.672 13.801 -9.466 434 2HZ LYS 40 2HZ LYS 40 3.499 13.517 -7.858 435 3HZ LYS 40 3HZ LYS 40 4.465 12.543 -8.755 436 QB LYS 40 QB LYS 40 3.068 8.880 -11.480 437 QG LYS 40 QG LYS 40 4.230 10.763 -10.777 438 QD LYS 40 QD LYS 40 2.011 11.766 -10.897 439 QE LYS 40 QE LYS 40 1.981 12.100 -8.602 440 QZ LYS 40 QZ LYS 40 3.879 13.287 -8.693 441 NH1 ARG 41 NH2 ARG 41 -3.101 3.512 -13.968 442 NH2 ARG 41 NH1 ARG 41 -2.129 3.282 -16.057 443 H ARG 41 HN ARG 41 3.215 6.267 -10.645 444 HA ARG 41 HA ARG 41 0.651 5.027 -9.910 445 1HB ARG 41 2HB ARG 41 0.645 6.291 -12.220 446 2HB ARG 41 3HB ARG 41 1.444 4.852 -12.830 447 1HG ARG 41 2HG ARG 41 -1.059 4.565 -11.124 448 2HG ARG 41 3HG ARG 41 -1.224 5.217 -12.739 449 1HD ARG 41 2HD ARG 41 0.382 2.677 -12.465 450 2HD ARG 41 3HD ARG 41 -1.341 2.553 -12.212 451 HE ARG 41 HE ARG 41 0.005 3.011 -14.724 452 1HH1 ARG 41 2HH2 ARG 41 -3.002 3.568 -12.966 453 2HH1 ARG 41 1HH2 ARG 41 -4.022 3.623 -14.368 454 1HH2 ARG 41 2HH1 ARG 41 -1.317 3.144 -16.642 455 2HH2 ARG 41 1HH1 ARG 41 -3.024 3.406 -16.506 456 QB ARG 41 QB ARG 41 1.045 5.571 -12.526 457 QG ARG 41 QG ARG 41 -1.141 4.891 -11.932 458 QD ARG 41 QD ARG 41 -0.479 2.615 -12.339 459 QH1 ARG 41 QH2 ARG 41 -3.512 3.596 -13.667 460 QH2 ARG 41 QH1 ARG 41 -2.170 3.275 -16.573 461 HA PRO 42 HA PRO 42 4.143 2.141 -9.452 462 1HB PRO 42 2HB PRO 42 3.009 0.569 -7.447 463 2HB PRO 42 3HB PRO 42 3.978 2.037 -7.189 464 1HG PRO 42 2HG PRO 42 1.041 1.662 -6.997 465 2HG PRO 42 3HG PRO 42 2.055 2.837 -6.162 466 1HD PRO 42 2HD PRO 42 0.441 3.390 -8.400 467 2HD PRO 42 3HD PRO 42 1.763 4.425 -7.811 468 QB PRO 42 QB PRO 42 3.493 1.303 -7.318 469 QG PRO 42 QG PRO 42 1.547 2.250 -6.580 470 QD PRO 42 QD PRO 42 1.102 3.908 -8.106 471 NH1 ARG 43 NH2 ARG 43 4.735 -0.332 -15.888 472 NH2 ARG 43 NH1 ARG 43 6.932 -1.057 -15.752 473 H ARG 43 HN ARG 43 4.425 -0.097 -9.968 474 HA ARG 43 HA ARG 43 2.451 -1.147 -11.814 475 1HB ARG 43 2HB ARG 43 5.079 -1.429 -11.854 476 2HB ARG 43 3HB ARG 43 4.785 -2.724 -10.689 477 1HG ARG 43 2HG ARG 43 4.703 -3.911 -12.701 478 2HG ARG 43 3HG ARG 43 2.996 -3.558 -12.454 479 1HD ARG 43 2HD ARG 43 3.422 -2.996 -14.721 480 2HD ARG 43 3HD ARG 43 3.357 -1.445 -13.865 481 HE ARG 43 HE ARG 43 6.014 -2.698 -14.100 482 1HH1 ARG 43 2HH2 ARG 43 3.770 -0.432 -15.614 483 2HH1 ARG 43 1HH2 ARG 43 4.980 0.386 -16.553 484 1HH2 ARG 43 2HH1 ARG 43 7.628 -1.686 -15.380 485 2HH2 ARG 43 1HH1 ARG 43 7.227 -0.369 -16.429 486 QB ARG 43 QB ARG 43 4.932 -2.077 -11.272 487 QG ARG 43 QG ARG 43 3.849 -3.735 -12.577 488 QD ARG 43 QD ARG 43 3.390 -2.220 -14.294 489 QH1 ARG 43 QH2 ARG 43 4.375 -0.023 -16.083 490 QH2 ARG 43 QH1 ARG 43 7.427 -1.027 -15.905 491 H PHE 44 HN PHE 44 3.458 -1.756 -8.485 492 HA PHE 44 HA PHE 44 1.797 -4.149 -8.179 493 1HB PHE 44 2HB PHE 44 2.666 -4.035 -5.837 494 2HB PHE 44 3HB PHE 44 3.895 -4.169 -7.071 495 HD1 PHE 44 1HD PHE 44 2.336 -1.907 -4.572 496 HD2 PHE 44 2HD PHE 44 5.523 -2.361 -7.434 497 HE1 PHE 44 1HE PHE 44 3.342 0.207 -3.781 498 HE2 PHE 44 2HE PHE 44 6.460 -0.175 -6.728 499 HZ PHE 44 HZ PHE 44 5.337 1.141 -4.927 500 QB PHE 44 QB PHE 44 3.280 -4.102 -6.454 501 QR PHE 44 QR PHE 44 4.415 -1.060 -5.628 502 H LEU 45 HN LEU 45 0.425 -1.534 -8.875 503 HA LEU 45 HA LEU 45 -1.014 -0.667 -6.604 504 1HB LEU 45 2HB LEU 45 -1.419 -0.555 -9.564 505 2HB LEU 45 3HB LEU 45 -2.918 -0.528 -8.628 506 HG LEU 45 HG LEU 45 -0.587 1.332 -8.291 507 1HD1 LEU 45 1HD1 LEU 45 -1.922 1.631 -10.344 508 2HD1 LEU 45 2HD1 LEU 45 -3.353 1.965 -9.363 509 3HD1 LEU 45 3HD1 LEU 45 -1.951 3.044 -9.268 510 1HD2 LEU 45 2HD2 LEU 45 -2.738 0.693 -6.424 511 2HD2 LEU 45 3HD2 LEU 45 -1.444 1.901 -6.250 512 3HD2 LEU 45 1HD2 LEU 45 -2.976 2.316 -7.017 513 QB LEU 45 QB LEU 45 -2.168 -0.541 -9.096 514 QD1 LEU 45 QD1 LEU 45 -2.409 2.213 -9.658 515 QD2 LEU 45 QD2 LEU 45 -2.386 1.636 -6.564 516 QQD LEU 45 QQD LEU 45 -2.398 1.925 -8.111 517 HA PRO 46 HA PRO 46 -4.360 -3.919 -7.425 518 1HB PRO 46 2HB PRO 46 -3.759 -6.213 -8.859 519 2HB PRO 46 3HB PRO 46 -4.516 -4.747 -9.533 520 1HG PRO 46 2HG PRO 46 -1.667 -5.642 -9.753 521 2HG PRO 46 3HG PRO 46 -2.660 -4.762 -10.945 522 1HD PRO 46 2HD PRO 46 -0.765 -3.651 -9.269 523 2HD PRO 46 3HD PRO 46 -2.084 -2.714 -10.018 524 QB PRO 46 QB PRO 46 -4.137 -5.480 -9.196 525 QG PRO 46 QG PRO 46 -2.163 -5.202 -10.349 526 QD PRO 46 QD PRO 46 -1.425 -3.183 -9.644 527 H GLU 47 HN GLU 47 -0.987 -5.146 -7.270 528 HA GLU 47 HA GLU 47 -1.540 -7.251 -5.461 529 1HB GLU 47 2HB GLU 47 1.063 -5.734 -5.857 530 2HB GLU 47 3HB GLU 47 0.846 -7.366 -5.184 531 1HG GLU 47 2HG GLU 47 -0.331 -7.863 -7.495 532 2HG GLU 47 3HG GLU 47 0.517 -6.403 -8.038 533 QB GLU 47 QB GLU 47 0.955 -6.550 -5.520 534 QG GLU 47 QG GLU 47 0.093 -7.132 -7.766 535 H LEU 48 HN LEU 48 -0.567 -3.836 -4.933 536 HA LEU 48 HA LEU 48 -0.487 -3.969 -2.090 537 1HB LEU 48 2HB LEU 48 0.371 -2.086 -3.626 538 2HB LEU 48 3HB LEU 48 -1.298 -1.534 -3.715 539 HG LEU 48 HG LEU 48 -1.195 -1.463 -1.101 540 1HD1 LEU 48 1HD1 LEU 48 1.783 -1.680 -1.790 541 2HD1 LEU 48 2HD1 LEU 48 1.144 -1.142 -0.226 542 3HD1 LEU 48 3HD1 LEU 48 0.828 -2.789 -0.792 543 1HD2 LEU 48 3HD2 LEU 48 -1.075 0.589 -2.544 544 2HD2 LEU 48 1HD2 LEU 48 -0.073 0.722 -1.096 545 3HD2 LEU 48 2HD2 LEU 48 0.667 0.341 -2.673 546 QB LEU 48 QB LEU 48 -0.463 -1.811 -3.670 547 QD1 LEU 48 QD1 LEU 48 1.252 -1.871 -0.936 548 QD2 LEU 48 QD2 LEU 48 -0.160 0.551 -2.105 549 QQD LEU 48 QQD LEU 48 0.546 -0.659 -1.520 550 H ALA 49 HN ALA 49 -3.097 -3.057 -4.376 551 HA ALA 49 HA ALA 49 -5.086 -2.528 -2.456 552 1HB ALA 49 3HB ALA 49 -5.095 -2.070 -4.968 553 2HB ALA 49 1HB ALA 49 -5.639 -3.747 -5.177 554 3HB ALA 49 2HB ALA 49 -6.615 -2.586 -4.248 555 QB ALA 49 QB ALA 49 -5.783 -2.801 -4.797 556 H SER 50 HN SER 50 -4.180 -5.606 -4.007 557 HA SER 50 HA SER 50 -6.148 -7.259 -2.789 558 1HB SER 50 2HB SER 50 -3.335 -7.974 -3.751 559 2HB SER 50 3HB SER 50 -4.623 -9.115 -3.353 560 HG SER 50 HG SER 50 -4.630 -7.143 -5.398 561 QB SER 50 QB SER 50 -3.979 -8.544 -3.552 562 H ALA 51 HN ALA 51 -2.680 -6.729 -1.846 563 HA ALA 51 HA ALA 51 -2.804 -8.205 0.571 564 1HB ALA 51 3HB ALA 51 -1.039 -5.867 -0.256 565 2HB ALA 51 1HB ALA 51 -0.778 -6.867 1.189 566 3HB ALA 51 2HB ALA 51 -0.685 -7.602 -0.422 567 QB ALA 51 QB ALA 51 -0.834 -6.778 0.171 568 H LEU 52 HN LEU 52 -3.708 -4.874 -0.161 569 HA LEU 52 HA LEU 52 -4.264 -4.064 2.541 570 1HB LEU 52 2HB LEU 52 -4.956 -2.999 -0.187 571 2HB LEU 52 3HB LEU 52 -5.645 -2.319 1.252 572 HG LEU 52 HG LEU 52 -3.237 -1.637 0.011 573 1HD1 LEU 52 2HD1 LEU 52 -4.906 -0.588 2.138 574 2HD1 LEU 52 3HD1 LEU 52 -3.193 -0.405 2.529 575 3HD1 LEU 52 1HD1 LEU 52 -3.848 0.227 1.018 576 1HD2 LEU 52 1HD2 LEU 52 -1.989 -3.398 1.183 577 2HD2 LEU 52 2HD2 LEU 52 -1.500 -1.779 1.670 578 3HD2 LEU 52 3HD2 LEU 52 -2.525 -2.729 2.752 579 QB LEU 52 QB LEU 52 -5.300 -2.659 0.532 580 QD1 LEU 52 QD1 LEU 52 -3.983 -0.255 1.895 581 QD2 LEU 52 QD2 LEU 52 -2.005 -2.635 1.868 582 QQD LEU 52 QQD LEU 52 -2.994 -1.445 1.881 583 H GLY 53 HN GLY 53 -6.236 -5.494 -0.077 584 1HA GLY 53 1HA GLY 53 -8.166 -6.761 0.143 585 2HA GLY 53 2HA GLY 53 -8.310 -6.314 1.849 586 QA GLY 53 QA GLY 53 -8.238 -6.538 0.996 587 H VAL 54 HN VAL 54 -7.955 -4.226 -1.046 588 HA VAL 54 HA VAL 54 -10.689 -3.165 -0.904 589 HB VAL 54 HB VAL 54 -9.717 -0.766 -0.860 590 1HG1 VAL 54 1HG1 VAL 54 -9.858 -2.402 1.642 591 2HG1 VAL 54 2HG1 VAL 54 -9.682 -0.631 1.601 592 3HG1 VAL 54 3HG1 VAL 54 -11.096 -1.414 0.882 593 1HG2 VAL 54 2HG2 VAL 54 -7.248 -2.286 -0.130 594 2HG2 VAL 54 3HG2 VAL 54 -7.456 -0.830 -1.082 595 3HG2 VAL 54 1HG2 VAL 54 -7.570 -0.774 0.691 596 QG1 VAL 54 QG1 VAL 54 -10.213 -1.482 1.375 597 QG2 VAL 54 QG2 VAL 54 -7.425 -1.296 -0.174 598 QQG VAL 54 QQG VAL 54 -8.818 -1.390 0.601 599 H SER 55 HN SER 55 -10.641 -1.202 -2.687 600 HA SER 55 HA SER 55 -9.584 -2.450 -5.111 601 1HB SER 55 2HB SER 55 -11.166 -0.659 -6.078 602 2HB SER 55 3HB SER 55 -11.894 -1.937 -5.067 603 HG SER 55 HG SER 55 -11.834 0.691 -4.638 604 QB SER 55 QB SER 55 -11.530 -1.298 -5.572 605 H VAL 56 HN VAL 56 -8.502 -1.230 -6.698 606 HA VAL 56 HA VAL 56 -6.308 0.278 -5.711 607 HB VAL 56 HB VAL 56 -7.408 -0.311 -8.497 608 1HG1 VAL 56 2HG1 VAL 56 -4.906 1.218 -7.748 609 2HG1 VAL 56 3HG1 VAL 56 -5.168 0.474 -9.344 610 3HG1 VAL 56 1HG1 VAL 56 -6.231 1.773 -8.796 611 1HG2 VAL 56 3HG2 VAL 56 -6.392 -2.204 -7.181 612 2HG2 VAL 56 1HG2 VAL 56 -5.495 -1.823 -8.657 613 3HG2 VAL 56 2HG2 VAL 56 -4.882 -1.261 -7.092 614 QG1 VAL 56 QG1 VAL 56 -5.435 1.155 -8.629 615 QG2 VAL 56 QG2 VAL 56 -5.589 -1.763 -7.644 616 QQG VAL 56 QQG VAL 56 -5.512 -0.304 -8.136 617 H ASP 57 HN ASP 57 -9.180 1.263 -7.521 618 HA ASP 57 HA ASP 57 -8.825 4.028 -7.718 619 1HB ASP 57 2HB ASP 57 -11.379 4.058 -7.418 620 2HB ASP 57 3HB ASP 57 -10.725 3.068 -8.716 621 QB ASP 57 QB ASP 57 -11.052 3.563 -8.067 622 CH2 TRP 58 CH2 TRP 58 -7.955 2.214 2.478 623 H TRP 58 HN TRP 58 -9.960 2.138 -4.901 624 HA TRP 58 HA TRP 58 -10.282 4.455 -3.344 625 1HB TRP 58 2HB TRP 58 -11.537 2.508 -2.710 626 2HB TRP 58 3HB TRP 58 -10.064 1.570 -2.454 627 HD1 TRP 58 HD1 TRP 58 -12.320 4.120 -0.624 628 HE1 TRP 58 HE1 TRP 58 -11.543 4.510 1.631 629 HE3 TRP 58 HE3 TRP 58 -7.888 1.506 -0.855 630 HZ2 TRP 58 HZ2 TRP 58 -9.481 3.380 3.469 631 HZ3 TRP 58 HZ3 TRP 58 -6.490 1.311 1.186 632 HH2 TRP 58 HH2 TRP 58 -7.364 2.061 3.369 633 QB TRP 58 QB TRP 58 -10.801 2.039 -2.582 634 H LEU 59 HN LEU 59 -7.631 2.135 -3.512 635 HA LEU 59 HA LEU 59 -5.908 3.275 -1.590 636 1HB LEU 59 2HB LEU 59 -5.665 1.551 -3.987 637 2HB LEU 59 3HB LEU 59 -4.245 2.555 -3.761 638 HG LEU 59 HG LEU 59 -5.453 0.693 -1.661 639 1HD1 LEU 59 3HD1 LEU 59 -3.023 0.529 -3.490 640 2HD1 LEU 59 1HD1 LEU 59 -3.353 -0.600 -2.148 641 3HD1 LEU 59 2HD1 LEU 59 -4.459 -0.486 -3.527 642 1HD2 LEU 59 3HD2 LEU 59 -3.201 2.717 -1.625 643 2HD2 LEU 59 1HD2 LEU 59 -4.352 2.293 -0.340 644 3HD2 LEU 59 2HD2 LEU 59 -3.011 1.205 -0.727 645 QB LEU 59 QB LEU 59 -4.955 2.053 -3.874 646 QD1 LEU 59 QD1 LEU 59 -3.612 -0.186 -3.055 647 QD2 LEU 59 QD2 LEU 59 -3.521 2.072 -0.897 648 QQD LEU 59 QQD LEU 59 -3.566 0.943 -1.977 649 H LEU 60 HN LEU 60 -6.412 4.186 -5.005 650 HA LEU 60 HA LEU 60 -4.659 6.471 -4.945 651 1HB LEU 60 2HB LEU 60 -6.943 5.579 -6.705 652 2HB LEU 60 3HB LEU 60 -6.324 7.215 -6.854 653 HG LEU 60 HG LEU 60 -5.436 5.145 -8.306 654 1HD1 LEU 60 2HD1 LEU 60 -3.969 7.638 -7.416 655 2HD1 LEU 60 3HD1 LEU 60 -3.299 6.536 -8.634 656 3HD1 LEU 60 1HD1 LEU 60 -4.854 7.325 -8.927 657 1HD2 LEU 60 1HD2 LEU 60 -4.432 3.930 -6.392 658 2HD2 LEU 60 2HD2 LEU 60 -3.279 4.390 -7.658 659 3HD2 LEU 60 3HD2 LEU 60 -3.298 5.283 -6.143 660 QB LEU 60 QB LEU 60 -6.634 6.397 -6.779 661 QD1 LEU 60 QD1 LEU 60 -4.040 7.166 -8.326 662 QD2 LEU 60 QD2 LEU 60 -3.670 4.534 -6.731 663 QQD LEU 60 QQD LEU 60 -3.856 5.850 -7.529 664 H ASN 61 HN ASN 61 -8.299 6.385 -4.451 665 HA ASN 61 HA ASN 61 -7.973 8.718 -2.728 666 1HB ASN 61 2HB ASN 61 -9.035 10.366 -4.047 667 2HB ASN 61 3HB ASN 61 -7.589 9.800 -4.861 668 1HD2 ASN 61 2HD2 ASN 61 -9.598 8.113 -7.479 669 2HD2 ASN 61 1HD2 ASN 61 -8.352 7.610 -6.357 670 QB ASN 61 QB ASN 61 -8.312 10.083 -4.455 671 QD2 ASN 61 QD2 ASN 61 -8.975 7.862 -6.918 672 H GLY 62 HN GLY 62 -9.321 6.234 -2.267 673 1HA GLY 62 1HA GLY 62 -12.114 6.769 -2.778 674 2HA GLY 62 2HA GLY 62 -11.473 5.376 -2.013 675 QA GLY 62 QA GLY 62 -11.793 6.073 -2.396 676 H THR 63 HN THR 63 -10.146 6.661 0.091 677 HA THR 63 HA THR 63 -10.446 7.410 2.219 678 HB THR 63 HB THR 63 -11.391 9.415 2.513 679 HG1 THR 63 1HG THR 63 -13.406 8.559 0.860 680 1HG2 THR 63 1HG2 THR 63 -9.811 9.305 0.502 681 2HG2 THR 63 2HG2 THR 63 -11.233 9.428 -0.542 682 3HG2 THR 63 3HG2 THR 63 -10.850 10.746 0.564 683 QG2 THR 63 QG2 THR 63 -10.632 9.826 0.174 684 H SER 64 HN SER 64 -11.091 5.803 3.560 685 HA SER 64 HA SER 64 -12.352 4.396 4.753 686 1HB SER 64 2HB SER 64 -14.616 6.353 4.158 687 2HB SER 64 3HB SER 64 -14.847 4.847 5.036 688 HG SER 64 HG SER 64 -12.932 6.836 5.711 689 QB SER 64 QB SER 64 -14.732 5.600 4.597 690 H ASP 65 HN ASP 65 -12.923 2.355 4.286 691 HA ASP 65 HA ASP 65 -14.165 1.813 1.625 692 1HB ASP 65 2HB ASP 65 -13.544 -0.568 2.099 693 2HB ASP 65 3HB ASP 65 -12.285 0.590 1.647 694 QB ASP 65 QB ASP 65 -12.915 0.010 1.873 695 H SER 66 HN SER 66 -16.246 2.052 1.795 696 HA SER 66 HA SER 66 -17.869 1.539 4.111 697 1HB SER 66 2HB SER 66 -18.720 3.022 2.410 698 2HB SER 66 3HB SER 66 -18.544 1.774 1.150 699 HG SER 66 HG SER 66 -20.108 0.563 2.157 700 QB SER 66 QB SER 66 -18.632 2.398 1.780 701 H ASN 67 HN ASN 67 -16.968 -0.507 4.744 702 HA ASN 67 HA ASN 67 -16.997 -2.892 3.460 703 1HB ASN 67 2HB ASN 67 -16.493 -2.192 5.980 704 2HB ASN 67 3HB ASN 67 -18.102 -2.860 6.271 705 1HD2 ASN 67 2HD2 ASN 67 -14.920 -5.309 5.718 706 2HD2 ASN 67 1HD2 ASN 67 -14.747 -3.561 5.799 707 QB ASN 67 QB ASN 67 -17.297 -2.526 6.125 708 QD2 ASN 67 QD2 ASN 67 -14.833 -4.435 5.759 709 H VAL 68 HN VAL 68 -19.861 -1.162 4.477 710 HA VAL 68 HA VAL 68 -22.064 -1.554 4.399 711 HB VAL 68 HB VAL 68 -21.578 -0.994 2.138 712 1HG1 VAL 68 1HG1 VAL 68 -21.283 -3.964 1.552 713 2HG1 VAL 68 2HG1 VAL 68 -21.542 -2.720 0.321 714 3HG1 VAL 68 3HG1 VAL 68 -20.081 -2.679 1.304 715 1HG2 VAL 68 2HG2 VAL 68 -23.940 -1.656 2.906 716 2HG2 VAL 68 3HG2 VAL 68 -23.619 -1.529 1.168 717 3HG2 VAL 68 1HG2 VAL 68 -23.710 -3.119 1.924 718 QG1 VAL 68 QG1 VAL 68 -20.969 -3.121 1.059 719 QG2 VAL 68 QG2 VAL 68 -23.756 -2.102 1.999 720 QQG VAL 68 QQG VAL 68 -22.363 -2.611 1.529 721 NH1 ARG 69 NH2 ARG 69 -27.565 -6.708 5.724 722 NH2 ARG 69 NH1 ARG 69 -28.120 -7.451 7.851 723 H ARG 69 HN ARG 69 -21.107 -3.142 6.095 724 HA ARG 69 HA ARG 69 -21.224 -4.916 7.321 725 1HB ARG 69 2HB ARG 69 -23.291 -5.675 8.013 726 2HB ARG 69 3HB ARG 69 -23.477 -4.007 7.498 727 1HG ARG 69 2HG ARG 69 -25.373 -4.847 6.567 728 2HG ARG 69 3HG ARG 69 -24.290 -5.137 5.219 729 1HD ARG 69 2HD ARG 69 -24.983 -7.299 5.310 730 2HD ARG 69 3HD ARG 69 -23.908 -7.452 6.666 731 HE ARG 69 HE ARG 69 -25.611 -7.540 8.160 732 1HH1 ARG 69 2HH2 ARG 69 -26.844 -6.440 5.069 733 2HH1 ARG 69 1HH2 ARG 69 -28.532 -6.640 5.443 734 1HH2 ARG 69 2HH1 ARG 69 -27.838 -7.759 8.771 735 2HH2 ARG 69 1HH1 ARG 69 -29.105 -7.384 7.647 736 QB ARG 69 QB ARG 69 -23.384 -4.840 7.756 737 QG ARG 69 QG ARG 69 -24.831 -4.991 5.894 738 QD ARG 69 QD ARG 69 -24.446 -7.375 5.988 739 QH1 ARG 69 QH2 ARG 69 -27.687 -6.540 5.255 740 QH2 ARG 69 QH1 ARG 69 -28.471 -7.571 8.208 Start of MODEL 6 Raw file had 740 H/Q atoms Start of MODEL 6 1 H SER 1 HN SER 1 -5.159 10.504 4.457 2 HA SER 1 HA SER 1 -3.773 11.643 2.811 3 1HB SER 1 2HB SER 1 -2.118 12.530 4.500 4 2HB SER 1 3HB SER 1 -1.457 10.884 4.651 5 HG SER 1 HG SER 1 -0.337 12.185 3.102 6 QB SER 1 QB SER 1 -1.788 11.707 4.576 7 H ILE 2 HN ILE 2 -1.918 10.412 1.560 8 HA ILE 2 HA ILE 2 -2.904 7.847 0.770 9 HB ILE 2 HB ILE 2 -1.751 9.332 -0.717 10 1HG1 ILE 2 2HG1 ILE 2 0.208 7.270 -1.004 11 2HG1 ILE 2 3HG1 ILE 2 -1.265 6.504 -0.414 12 1HG2 ILE 2 1HG2 ILE 2 0.011 10.242 0.853 13 2HG2 ILE 2 2HG2 ILE 2 0.919 8.735 0.601 14 3HG2 ILE 2 3HG2 ILE 2 0.563 9.791 -0.763 15 1HD1 ILE 2 2HD1 ILE 2 -2.478 7.852 -2.299 16 2HD1 ILE 2 3HD1 ILE 2 -0.838 8.046 -2.972 17 3HD1 ILE 2 1HD1 ILE 2 -1.533 6.431 -2.739 18 QG1 ILE 2 QG1 ILE 2 -0.528 6.887 -0.708 19 QG2 ILE 2 QG2 ILE 2 0.498 9.589 0.231 20 QD1 ILE 2 QD1 ILE 2 -1.616 7.443 -2.670 21 H SER 3 HN SER 3 0.128 8.712 2.508 22 HA SER 3 HA SER 3 0.793 6.117 3.223 23 1HB SER 3 2HB SER 3 2.429 7.888 3.532 24 2HB SER 3 3HB SER 3 1.376 8.785 4.595 25 HG SER 3 HG SER 3 2.593 6.256 5.171 26 QB SER 3 QB SER 3 1.902 8.337 4.063 27 H SER 4 HN SER 4 -1.366 8.399 4.979 28 HA SER 4 HA SER 4 -1.842 6.805 7.205 29 1HB SER 4 2HB SER 4 -4.222 8.160 5.999 30 2HB SER 4 3HB SER 4 -3.616 8.161 7.644 31 HG SER 4 HG SER 4 -2.120 9.670 7.114 32 QB SER 4 QB SER 4 -3.919 8.160 6.822 33 NH1 ARG 5 NH2 ARG 5 -5.677 9.296 0.957 34 NH2 ARG 5 NH1 ARG 5 -5.256 8.960 -1.298 35 H ARG 5 HN ARG 5 -3.273 6.510 3.873 36 HA ARG 5 HA ARG 5 -5.326 4.677 4.770 37 1HB ARG 5 2HB ARG 5 -4.323 4.601 1.922 38 2HB ARG 5 3HB ARG 5 -5.916 4.383 2.614 39 1HG ARG 5 2HG ARG 5 -5.745 6.882 3.324 40 2HG ARG 5 3HG ARG 5 -4.439 6.915 2.108 41 1HD ARG 5 2HD ARG 5 -6.801 5.590 1.048 42 2HD ARG 5 3HD ARG 5 -7.243 7.163 1.677 43 HE ARG 5 HE ARG 5 -5.778 6.554 -0.735 44 1HH1 ARG 5 2HH2 ARG 5 -5.903 8.885 1.851 45 2HH1 ARG 5 1HH2 ARG 5 -5.591 10.296 0.861 46 1HH2 ARG 5 2HH1 ARG 5 -5.266 8.358 -2.112 47 2HH2 ARG 5 1HH1 ARG 5 -5.059 9.940 -1.437 48 QB ARG 5 QB ARG 5 -5.119 4.492 2.268 49 QG ARG 5 QG ARG 5 -5.092 6.898 2.716 50 QD ARG 5 QD ARG 5 -7.022 6.377 1.363 51 QH1 ARG 5 QH2 ARG 5 -5.747 9.591 1.356 52 QH2 ARG 5 QH1 ARG 5 -5.162 9.149 -1.774 53 H VAL 6 HN VAL 6 -2.216 4.277 3.119 54 HA VAL 6 HA VAL 6 -2.244 1.455 2.890 55 HB VAL 6 HB VAL 6 0.170 3.257 3.230 56 1HG1 VAL 6 2HG1 VAL 6 0.135 0.483 2.969 57 2HG1 VAL 6 3HG1 VAL 6 0.325 0.996 1.307 58 3HG1 VAL 6 1HG1 VAL 6 1.483 1.551 2.499 59 1HG2 VAL 6 3HG2 VAL 6 -1.540 3.941 1.304 60 2HG2 VAL 6 1HG2 VAL 6 0.191 3.851 0.994 61 3HG2 VAL 6 2HG2 VAL 6 -0.889 2.547 0.477 62 QG1 VAL 6 QG1 VAL 6 0.647 1.010 2.258 63 QG2 VAL 6 QG2 VAL 6 -0.746 3.447 0.925 64 QQG VAL 6 QQG VAL 6 -0.049 2.228 1.592 65 H LYS 7 HN LYS 7 -0.827 3.599 5.430 66 HA LYS 7 HA LYS 7 0.072 1.463 7.125 67 1HB LYS 7 2HB LYS 7 0.909 3.818 7.112 68 2HB LYS 7 3HB LYS 7 -0.573 4.324 7.935 69 1HG LYS 7 2HG LYS 7 -0.054 2.851 9.838 70 2HG LYS 7 3HG LYS 7 1.331 2.171 8.970 71 1HD LYS 7 2HD LYS 7 2.281 4.546 8.851 72 2HD LYS 7 3HD LYS 7 1.039 5.031 10.005 73 1HE LYS 7 2HE LYS 7 3.159 2.849 10.439 74 2HE LYS 7 3HE LYS 7 3.293 4.508 11.023 75 1HZ LYS 7 2HZ LYS 7 1.161 2.654 11.839 76 2HZ LYS 7 3HZ LYS 7 2.522 2.961 12.703 77 3HZ LYS 7 1HZ LYS 7 1.431 4.159 12.439 78 QB LYS 7 QB LYS 7 0.168 4.070 7.523 79 QG LYS 7 QG LYS 7 0.639 2.511 9.404 80 QD LYS 7 QD LYS 7 1.660 4.789 9.427 81 QE LYS 7 QE LYS 7 3.226 3.679 10.732 82 QZ LYS 7 QZ LYS 7 1.704 3.258 12.327 83 H SER 8 HN SER 8 -2.892 3.522 7.329 84 HA SER 8 HA SER 8 -4.020 2.453 9.646 85 1HB SER 8 2HB SER 8 -5.428 3.339 7.090 86 2HB SER 8 3HB SER 8 -6.259 2.932 8.595 87 HG SER 8 HG SER 8 -4.378 4.996 8.165 88 QB SER 8 QB SER 8 -5.844 3.136 7.843 89 H LYS 9 HN LYS 9 -4.305 1.161 6.232 90 HA LYS 9 HA LYS 9 -6.012 -0.941 7.151 91 1HB LYS 9 2HB LYS 9 -5.765 0.052 4.773 92 2HB LYS 9 3HB LYS 9 -4.328 -0.953 4.676 93 1HG LYS 9 2HG LYS 9 -6.039 -2.403 3.801 94 2HG LYS 9 3HG LYS 9 -6.028 -2.855 5.515 95 1HD LYS 9 2HD LYS 9 -7.869 -1.012 5.712 96 2HD LYS 9 3HD LYS 9 -7.993 -1.117 3.966 97 1HE LYS 9 2HE LYS 9 -8.204 -3.530 5.866 98 2HE LYS 9 3HE LYS 9 -9.598 -2.583 5.344 99 1HZ LYS 9 2HZ LYS 9 -7.849 -4.180 3.524 100 2HZ LYS 9 3HZ LYS 9 -9.330 -4.578 4.066 101 3HZ LYS 9 1HZ LYS 9 -9.180 -3.301 3.084 102 QB LYS 9 QB LYS 9 -5.047 -0.450 4.724 103 QG LYS 9 QG LYS 9 -6.034 -2.629 4.659 104 QD LYS 9 QD LYS 9 -7.931 -1.064 4.839 105 QE LYS 9 QE LYS 9 -8.901 -3.057 5.605 106 QZ LYS 9 QZ LYS 9 -8.787 -4.020 3.558 107 NH1 ARG 10 NH2 ARG 10 1.729 1.121 5.090 108 NH2 ARG 10 NH1 ARG 10 3.056 1.804 6.832 109 H ARG 10 HN ARG 10 -2.479 -0.626 6.588 110 HA ARG 10 HA ARG 10 -1.606 -3.211 7.165 111 1HB ARG 10 2HB ARG 10 -0.434 -0.812 6.679 112 2HB ARG 10 3HB ARG 10 -0.072 -0.917 8.390 113 1HG ARG 10 2HG ARG 10 1.473 -2.565 8.054 114 2HG ARG 10 3HG ARG 10 0.589 -3.319 6.727 115 1HD ARG 10 2HD ARG 10 2.601 -2.323 5.888 116 2HD ARG 10 3HD ARG 10 1.234 -1.460 5.230 117 HE ARG 10 HE ARG 10 3.012 -0.558 7.504 118 1HH1 ARG 10 2HH2 ARG 10 1.144 0.426 4.656 119 2HH1 ARG 10 1HH2 ARG 10 1.766 2.062 4.714 120 1HH2 ARG 10 2HH1 ARG 10 3.595 1.649 7.666 121 2HH2 ARG 10 1HH1 ARG 10 3.127 2.724 6.382 122 QB ARG 10 QB ARG 10 -0.253 -0.864 7.535 123 QG ARG 10 QG ARG 10 1.032 -2.942 7.391 124 QD ARG 10 QD ARG 10 1.917 -1.891 5.558 125 QH1 ARG 10 QH2 ARG 10 1.455 1.244 4.686 126 QH2 ARG 10 QH1 ARG 10 3.361 2.186 7.024 127 H ILE 11 HN ILE 11 -2.395 -0.583 9.458 128 HA ILE 11 HA ILE 11 -1.758 -1.993 11.855 129 HB ILE 11 HB ILE 11 -3.680 0.316 11.476 130 1HG1 ILE 11 2HG1 ILE 11 -1.709 1.322 10.830 131 2HG1 ILE 11 3HG1 ILE 11 -1.623 1.500 12.557 132 1HG2 ILE 11 1HG2 ILE 11 -3.921 -0.933 13.670 133 2HG2 ILE 11 2HG2 ILE 11 -2.228 -0.525 14.004 134 3HG2 ILE 11 3HG2 ILE 11 -3.442 0.755 13.808 135 1HD1 ILE 11 1HD1 ILE 11 -0.127 -0.510 12.695 136 2HD1 ILE 11 2HD1 ILE 11 -0.109 -0.573 10.916 137 3HD1 ILE 11 3HD1 ILE 11 0.554 0.820 11.749 138 QG1 ILE 11 QG1 ILE 11 -1.667 1.412 11.693 139 QG2 ILE 11 QG2 ILE 11 -3.197 -0.234 13.827 140 QD1 ILE 11 QD1 ILE 11 0.106 -0.087 11.787 141 H GLN 12 HN GLN 12 -4.976 -1.386 10.281 142 HA GLN 12 HA GLN 12 -6.339 -2.991 12.172 143 1HB GLN 12 2HB GLN 12 -8.243 -2.740 10.984 144 2HB GLN 12 3HB GLN 12 -7.309 -1.367 10.387 145 1HG GLN 12 2HG GLN 12 -6.732 -2.715 8.368 146 2HG GLN 12 3HG GLN 12 -7.696 -4.061 8.982 147 1HE2 GLN 12 2HE2 GLN 12 -10.722 -2.746 7.771 148 2HE2 GLN 12 1HE2 GLN 12 -9.873 -4.101 8.490 149 QB GLN 12 QB GLN 12 -7.776 -2.053 10.685 150 QG GLN 12 QG GLN 12 -7.214 -3.388 8.675 151 QE2 GLN 12 QE2 GLN 12 -10.298 -3.424 8.131 152 H LEU 13 HN LEU 13 -4.660 -3.938 9.201 153 HA LEU 13 HA LEU 13 -5.314 -6.764 9.290 154 1HB LEU 13 2HB LEU 13 -3.333 -4.972 7.902 155 2HB LEU 13 3HB LEU 13 -2.889 -6.638 8.032 156 HG LEU 13 HG LEU 13 -4.144 -5.777 5.945 157 1HD1 LEU 13 1HD1 LEU 13 -4.138 -8.374 7.303 158 2HD1 LEU 13 2HD1 LEU 13 -5.481 -8.193 6.162 159 3HD1 LEU 13 3HD1 LEU 13 -3.814 -7.943 5.615 160 1HD2 LEU 13 3HD2 LEU 13 -6.104 -4.828 7.195 161 2HD2 LEU 13 1HD2 LEU 13 -6.506 -5.947 5.878 162 3HD2 LEU 13 2HD2 LEU 13 -6.614 -6.495 7.556 163 QB LEU 13 QB LEU 13 -3.111 -5.805 7.967 164 QD1 LEU 13 QD1 LEU 13 -4.478 -8.171 6.360 165 QD2 LEU 13 QD2 LEU 13 -6.409 -5.757 6.876 166 QQD LEU 13 QQD LEU 13 -5.443 -6.963 6.618 167 H GLY 14 HN GLY 14 -2.949 -4.756 10.957 168 1HA GLY 14 1HA GLY 14 -1.848 -5.262 12.924 169 2HA GLY 14 2HA GLY 14 -2.318 -6.963 12.787 170 QA GLY 14 QA GLY 14 -2.082 -6.113 12.856 171 H LEU 15 HN LEU 15 -0.855 -5.291 10.040 172 HA LEU 15 HA LEU 15 1.632 -6.947 10.403 173 1HB LEU 15 2HB LEU 15 0.343 -6.074 7.793 174 2HB LEU 15 3HB LEU 15 1.783 -7.074 7.994 175 HG LEU 15 HG LEU 15 -1.099 -7.815 8.612 176 1HD1 LEU 15 1HD1 LEU 15 -0.249 -7.997 6.259 177 2HD1 LEU 15 2HD1 LEU 15 1.043 -9.068 6.860 178 3HD1 LEU 15 3HD1 LEU 15 -0.655 -9.576 6.975 179 1HD2 LEU 15 1HD2 LEU 15 1.431 -9.366 9.322 180 2HD2 LEU 15 2HD2 LEU 15 0.176 -8.813 10.448 181 3HD2 LEU 15 3HD2 LEU 15 -0.195 -10.070 9.273 182 QB LEU 15 QB LEU 15 1.063 -6.574 7.893 183 QD1 LEU 15 QD1 LEU 15 0.047 -8.880 6.698 184 QD2 LEU 15 QD2 LEU 15 0.471 -9.416 9.681 185 QQD LEU 15 QQD LEU 15 0.259 -9.148 8.190 186 H ASN 16 HN ASN 16 3.463 -6.000 9.132 187 HA ASN 16 HA ASN 16 3.520 -3.003 9.400 188 1HB ASN 16 2HB ASN 16 5.702 -3.068 10.081 189 2HB ASN 16 3HB ASN 16 5.023 -4.473 10.896 190 1HD2 ASN 16 2HD2 ASN 16 6.936 -6.820 8.908 191 2HD2 ASN 16 1HD2 ASN 16 5.372 -6.657 9.673 192 QB ASN 16 QB ASN 16 5.362 -3.771 10.488 193 QD2 ASN 16 QD2 ASN 16 6.154 -6.738 9.290 194 H GLN 17 HN GLN 17 5.461 -2.086 8.066 195 HA GLN 17 HA GLN 17 4.664 -1.976 5.343 196 1HB GLN 17 2HB GLN 17 7.187 -1.200 6.783 197 2HB GLN 17 3HB GLN 17 6.885 -0.820 5.067 198 1HG GLN 17 2HG GLN 17 5.073 0.598 5.597 199 2HG GLN 17 3HG GLN 17 5.053 0.047 7.299 200 1HE2 GLN 17 2HE2 GLN 17 7.414 3.160 6.343 201 2HE2 GLN 17 1HE2 GLN 17 6.142 2.583 5.289 202 QB GLN 17 QB GLN 17 7.036 -1.010 5.926 203 QG GLN 17 QG GLN 17 5.063 0.323 6.449 204 QE2 GLN 17 QE2 GLN 17 6.778 2.872 5.816 205 H ALA 18 HN ALA 18 7.407 -3.801 6.842 206 HA ALA 18 HA ALA 18 8.456 -4.668 4.320 207 1HB ALA 18 3HB ALA 18 9.797 -4.548 6.372 208 2HB ALA 18 1HB ALA 18 8.834 -5.856 7.095 209 3HB ALA 18 2HB ALA 18 9.832 -6.173 5.661 210 QB ALA 18 QB ALA 18 9.487 -5.526 6.377 211 H GLU 19 HN GLU 19 6.343 -6.254 6.747 212 HA GLU 19 HA GLU 19 5.863 -8.727 5.421 213 1HB GLU 19 2HB GLU 19 4.293 -6.938 7.286 214 2HB GLU 19 3HB GLU 19 3.507 -8.347 6.582 215 1HG GLU 19 2HG GLU 19 5.034 -9.880 7.547 216 2HG GLU 19 3HG GLU 19 6.116 -8.605 8.109 217 QB GLU 19 QB GLU 19 3.900 -7.643 6.934 218 QG GLU 19 QG GLU 19 5.575 -9.243 7.828 219 H LEU 20 HN LEU 20 4.136 -5.585 5.260 220 HA LEU 20 HA LEU 20 2.211 -6.386 3.404 221 1HB LEU 20 2HB LEU 20 2.494 -4.163 4.757 222 2HB LEU 20 3HB LEU 20 3.402 -3.611 3.344 223 HG LEU 20 HG LEU 20 1.201 -4.715 2.145 224 1HD1 LEU 20 3HD1 LEU 20 0.440 -5.195 4.656 225 2HD1 LEU 20 1HD1 LEU 20 -0.145 -3.526 4.567 226 3HD1 LEU 20 2HD1 LEU 20 -0.714 -4.752 3.414 227 1HD2 LEU 20 1HD2 LEU 20 2.119 -2.062 2.595 228 2HD2 LEU 20 2HD2 LEU 20 0.975 -2.678 1.403 229 3HD2 LEU 20 3HD2 LEU 20 0.403 -2.044 2.951 230 QB LEU 20 QB LEU 20 2.949 -3.888 4.051 231 QD1 LEU 20 QD1 LEU 20 -0.140 -4.491 4.212 232 QD2 LEU 20 QD2 LEU 20 1.166 -2.261 2.316 233 QQD LEU 20 QQD LEU 20 0.514 -3.376 3.264 234 H ALA 21 HN ALA 21 5.406 -4.843 2.789 235 HA ALA 21 HA ALA 21 5.488 -4.928 -0.004 236 1HB ALA 21 3HB ALA 21 7.490 -4.856 2.181 237 2HB ALA 21 1HB ALA 21 8.074 -5.512 0.645 238 3HB ALA 21 2HB ALA 21 7.334 -3.908 0.702 239 QB ALA 21 QB ALA 21 7.633 -4.759 1.176 240 H GLN 22 HN GLN 22 6.397 -7.578 2.252 241 HA GLN 22 HA GLN 22 7.009 -9.468 0.218 242 1HB GLN 22 2HB GLN 22 6.148 -9.652 3.107 243 2HB GLN 22 3HB GLN 22 6.064 -11.113 2.132 244 1HG GLN 22 2HG GLN 22 8.537 -9.354 2.389 245 2HG GLN 22 3HG GLN 22 8.228 -10.799 3.370 246 1HE2 GLN 22 2HE2 GLN 22 10.331 -11.653 0.306 247 2HE2 GLN 22 1HE2 GLN 22 10.493 -10.378 1.502 248 QB GLN 22 QB GLN 22 6.107 -10.382 2.620 249 QG GLN 22 QG GLN 22 8.383 -10.077 2.879 250 QE2 GLN 22 QE2 GLN 22 10.412 -11.015 0.903 251 H LYS 23 HN LYS 23 3.842 -8.810 1.794 252 HA LYS 23 HA LYS 23 2.426 -10.752 0.203 253 1HB LYS 23 2HB LYS 23 1.439 -8.288 1.661 254 2HB LYS 23 3HB LYS 23 0.392 -9.549 0.974 255 1HG LYS 23 2HG LYS 23 1.414 -11.245 2.474 256 2HG LYS 23 3HG LYS 23 2.553 -10.050 3.063 257 1HD LYS 23 2HD LYS 23 1.165 -9.708 4.720 258 2HD LYS 23 3HD LYS 23 0.253 -8.690 3.617 259 1HE LYS 23 2HE LYS 23 -0.261 -11.629 4.313 260 2HE LYS 23 3HE LYS 23 -1.220 -10.243 4.842 261 1HZ LYS 23 2HZ LYS 23 -1.856 -9.844 2.565 262 2HZ LYS 23 3HZ LYS 23 -0.969 -11.146 2.059 263 3HZ LYS 23 1HZ LYS 23 -2.269 -11.361 3.042 264 QB LYS 23 QB LYS 23 0.915 -8.919 1.317 265 QG LYS 23 QG LYS 23 1.983 -10.647 2.768 266 QD LYS 23 QD LYS 23 0.709 -9.200 4.169 267 QE LYS 23 QE LYS 23 -0.741 -10.936 4.578 268 QZ LYS 23 QZ LYS 23 -1.698 -10.784 2.556 269 H VAL 24 HN VAL 24 3.284 -7.390 -0.386 270 HA VAL 24 HA VAL 24 1.733 -7.040 -2.809 271 HB VAL 24 HB VAL 24 4.200 -5.645 -1.747 272 1HG1 VAL 24 1HG1 VAL 24 3.901 -5.137 -4.156 273 2HG1 VAL 24 2HG1 VAL 24 2.226 -4.653 -3.832 274 3HG1 VAL 24 3HG1 VAL 24 3.583 -3.739 -3.131 275 1HG2 VAL 24 3HG2 VAL 24 1.597 -5.554 -0.641 276 2HG2 VAL 24 1HG2 VAL 24 2.968 -4.474 -0.310 277 3HG2 VAL 24 2HG2 VAL 24 1.809 -4.055 -1.546 278 QG1 VAL 24 QG1 VAL 24 3.237 -4.509 -3.706 279 QG2 VAL 24 QG2 VAL 24 2.125 -4.695 -0.832 280 QQG VAL 24 QQG VAL 24 2.681 -4.602 -2.269 281 H GLY 25 HN GLY 25 4.785 -8.633 -1.981 282 1HA GLY 25 1HA GLY 25 6.189 -9.886 -3.285 283 2HA GLY 25 2HA GLY 25 5.126 -9.647 -4.685 284 QA GLY 25 QA GLY 25 5.657 -9.766 -3.985 285 H THR 26 HN THR 26 6.686 -7.233 -2.552 286 HA THR 26 HA THR 26 8.721 -6.595 -4.556 287 HB THR 26 HB THR 26 6.809 -5.158 -5.221 288 HG1 THR 26 1HG THR 26 8.137 -3.114 -4.834 289 1HG2 THR 26 1HG2 THR 26 5.853 -4.861 -2.916 290 2HG2 THR 26 2HG2 THR 26 7.159 -3.746 -2.538 291 3HG2 THR 26 3HG2 THR 26 6.013 -3.354 -3.836 292 QG2 THR 26 QG2 THR 26 6.342 -3.987 -3.096 293 H THR 27 HN THR 27 9.508 -4.237 -3.265 294 HA THR 27 HA THR 27 10.534 -5.261 -0.641 295 HB THR 27 HB THR 27 12.287 -3.441 -1.165 296 HG1 THR 27 1HG THR 27 11.344 -2.275 -2.766 297 1HG2 THR 27 3HG2 THR 27 12.048 -6.158 -2.047 298 2HG2 THR 27 1HG2 THR 27 12.657 -5.252 -3.435 299 3HG2 THR 27 2HG2 THR 27 13.530 -5.202 -1.892 300 QG2 THR 27 QG2 THR 27 12.745 -5.538 -2.458 301 H GLN 28 HN GLN 28 10.550 -3.913 1.160 302 HA GLN 28 HA GLN 28 8.454 -2.289 1.848 303 1HB GLN 28 2HB GLN 28 10.146 -3.078 3.436 304 2HB GLN 28 3HB GLN 28 11.365 -2.008 2.714 305 1HG GLN 28 2HG GLN 28 10.052 -0.014 3.401 306 2HG GLN 28 3HG GLN 28 8.780 -1.080 4.013 307 1HE2 GLN 28 2HE2 GLN 28 10.526 -0.217 7.059 308 2HE2 GLN 28 1HE2 GLN 28 9.255 0.359 6.004 309 QB GLN 28 QB GLN 28 10.755 -2.543 3.074 310 QG GLN 28 QG GLN 28 9.415 -0.547 3.707 311 QE2 GLN 28 QE2 GLN 28 9.891 0.071 6.531 312 H GLN 29 HN GLN 29 11.498 -1.262 0.347 313 HA GLN 29 HA GLN 29 11.198 1.432 0.351 314 1HB GLN 29 2HB GLN 29 12.962 -0.363 -0.840 315 2HB GLN 29 3HB GLN 29 12.206 0.348 -2.266 316 1HG GLN 29 2HG GLN 29 14.271 1.541 -1.585 317 2HG GLN 29 3HG GLN 29 12.857 2.605 -1.472 318 1HE2 GLN 29 2HE2 GLN 29 13.125 3.147 1.997 319 2HE2 GLN 29 1HE2 GLN 29 12.731 3.777 0.435 320 QB GLN 29 QB GLN 29 12.584 -0.007 -1.553 321 QG GLN 29 QG GLN 29 13.564 2.074 -1.528 322 QE2 GLN 29 QE2 GLN 29 12.928 3.462 1.217 323 H SER 30 HN SER 30 9.393 -0.776 -1.703 324 HA SER 30 HA SER 30 8.332 1.199 -3.521 325 1HB SER 30 2HB SER 30 7.077 -1.411 -2.584 326 2HB SER 30 3HB SER 30 6.683 -0.507 -4.048 327 HG SER 30 HG SER 30 9.100 -1.836 -3.398 328 QB SER 30 QB SER 30 6.880 -0.958 -3.316 329 H ILE 31 HN ILE 31 7.045 -0.260 -0.434 330 HA ILE 31 HA ILE 31 4.690 1.329 -0.391 331 HB ILE 31 HB ILE 31 6.185 -0.306 1.717 332 1HG1 ILE 31 2HG1 ILE 31 4.220 -1.761 1.464 333 2HG1 ILE 31 3HG1 ILE 31 3.613 -0.686 0.171 334 1HG2 ILE 31 2HG2 ILE 31 3.690 1.394 1.921 335 2HG2 ILE 31 3HG2 ILE 31 3.858 -0.069 2.911 336 3HG2 ILE 31 1HG2 ILE 31 5.051 1.218 3.050 337 1HD1 ILE 31 2HD1 ILE 31 6.249 -2.140 -0.026 338 2HD1 ILE 31 3HD1 ILE 31 4.701 -2.892 -0.481 339 3HD1 ILE 31 1HD1 ILE 31 5.239 -1.458 -1.338 340 QG1 ILE 31 QG1 ILE 31 3.917 -1.224 0.818 341 QG2 ILE 31 QG2 ILE 31 4.200 0.848 2.627 342 QD1 ILE 31 QD1 ILE 31 5.396 -2.163 -0.615 343 H GLU 32 HN GLU 32 7.838 1.608 1.328 344 HA GLU 32 HA GLU 32 7.321 3.993 2.731 345 1HB GLU 32 2HB GLU 32 9.380 2.627 3.004 346 2HB GLU 32 3HB GLU 32 9.926 3.132 1.398 347 1HG GLU 32 2HG GLU 32 9.789 5.558 2.284 348 2HG GLU 32 3HG GLU 32 9.598 4.850 3.891 349 QB GLU 32 QB GLU 32 9.652 2.880 2.201 350 QG GLU 32 QG GLU 32 9.693 5.204 3.088 351 H GLN 33 HN GLN 33 8.685 3.611 -0.601 352 HA GLN 33 HA GLN 33 8.703 6.342 -1.292 353 1HB GLN 33 2HB GLN 33 8.436 3.787 -2.894 354 2HB GLN 33 3HB GLN 33 8.278 5.330 -3.695 355 1HG GLN 33 2HG GLN 33 10.449 6.091 -2.898 356 2HG GLN 33 3HG GLN 33 10.661 4.651 -1.913 357 1HE2 GLN 33 2HE2 GLN 33 11.581 2.544 -4.638 358 2HE2 GLN 33 1HE2 GLN 33 10.801 2.590 -3.046 359 QB GLN 33 QB GLN 33 8.357 4.559 -3.295 360 QG GLN 33 QG GLN 33 10.555 5.371 -2.406 361 QE2 GLN 33 QE2 GLN 33 11.192 2.567 -3.842 362 H LEU 34 HN LEU 34 5.983 3.969 -1.555 363 HA LEU 34 HA LEU 34 4.299 5.819 -2.843 364 1HB LEU 34 2HB LEU 34 4.047 3.271 -2.533 365 2HB LEU 34 3HB LEU 34 3.308 3.632 -0.977 366 HG LEU 34 HG LEU 34 1.584 3.278 -2.569 367 1HD1 LEU 34 2HD1 LEU 34 1.342 5.338 -1.071 368 2HD1 LEU 34 3HD1 LEU 34 1.701 6.301 -2.544 369 3HD1 LEU 34 1HD1 LEU 34 0.302 5.226 -2.523 370 1HD2 LEU 34 1HD2 LEU 34 2.917 3.634 -4.637 371 2HD2 LEU 34 2HD2 LEU 34 1.350 4.479 -4.670 372 3HD2 LEU 34 3HD2 LEU 34 2.832 5.389 -4.402 373 QB LEU 34 QB LEU 34 3.677 3.452 -1.755 374 QD1 LEU 34 QD1 LEU 34 1.115 5.622 -2.046 375 QD2 LEU 34 QD2 LEU 34 2.367 4.501 -4.570 376 QQD LEU 34 QQD LEU 34 1.741 5.061 -3.307 377 H GLU 35 HN GLU 35 4.646 5.021 0.590 378 HA GLU 35 HA GLU 35 2.759 6.709 1.698 379 1HB GLU 35 2HB GLU 35 5.424 5.615 2.685 380 2HB GLU 35 3HB GLU 35 4.414 6.612 3.727 381 1HG GLU 35 2HG GLU 35 2.518 5.044 3.372 382 2HG GLU 35 3HG GLU 35 3.492 4.048 2.307 383 QB GLU 35 QB GLU 35 4.919 6.113 3.207 384 QG GLU 35 QG GLU 35 3.005 4.546 2.840 385 H ASN 36 HN ASN 36 6.238 7.479 1.030 386 HA ASN 36 HA ASN 36 5.724 10.291 1.739 387 1HB ASN 36 2HB ASN 36 7.992 10.728 1.297 388 2HB ASN 36 3HB ASN 36 7.870 9.232 2.223 389 1HD2 ASN 36 2HD2 ASN 36 10.010 7.656 -0.097 390 2HD2 ASN 36 1HD2 ASN 36 9.562 7.925 1.564 391 QB ASN 36 QB ASN 36 7.931 9.980 1.760 392 QD2 ASN 36 QD2 ASN 36 9.787 7.790 0.733 393 H GLY 37 HN GLY 37 4.644 8.653 -0.884 394 1HA GLY 37 1HA GLY 37 3.906 9.254 -2.934 395 2HA GLY 37 2HA GLY 37 4.061 10.944 -2.436 396 QA GLY 37 QA GLY 37 3.983 10.099 -2.685 397 H LYS 38 HN LYS 38 6.356 8.280 -3.093 398 HA LYS 38 HA LYS 38 8.109 10.036 -4.720 399 1HB LYS 38 2HB LYS 38 8.338 7.473 -3.297 400 2HB LYS 38 3HB LYS 38 9.176 7.455 -4.831 401 1HG LYS 38 2HG LYS 38 9.628 9.865 -3.113 402 2HG LYS 38 3HG LYS 38 10.190 8.347 -2.437 403 1HD LYS 38 2HD LYS 38 11.853 8.017 -4.002 404 2HD LYS 38 3HD LYS 38 10.919 8.754 -5.296 405 1HE LYS 38 2HE LYS 38 12.648 10.266 -5.028 406 2HE LYS 38 3HE LYS 38 11.294 11.027 -4.192 407 1HZ LYS 38 2HZ LYS 38 12.265 10.215 -2.106 408 2HZ LYS 38 3HZ LYS 38 13.535 9.569 -2.938 409 3HZ LYS 38 1HZ LYS 38 13.298 11.192 -2.931 410 QB LYS 38 QB LYS 38 8.757 7.463 -4.064 411 QG LYS 38 QG LYS 38 9.909 9.106 -2.775 412 QD LYS 38 QD LYS 38 11.386 8.385 -4.649 413 QE LYS 38 QE LYS 38 11.971 10.646 -4.610 414 QZ LYS 38 QZ LYS 38 13.033 10.325 -2.658 415 H THR 39 HN THR 39 5.373 8.066 -5.417 416 HA THR 39 HA THR 39 6.042 8.424 -8.256 417 HB THR 39 HB THR 39 6.718 6.101 -7.784 418 HG1 THR 39 1HG THR 39 6.003 6.268 -9.786 419 1HG2 THR 39 1HG2 THR 39 5.157 5.599 -5.901 420 2HG2 THR 39 2HG2 THR 39 3.801 5.595 -7.054 421 3HG2 THR 39 3HG2 THR 39 5.115 4.408 -7.204 422 QG2 THR 39 QG2 THR 39 4.691 5.201 -6.720 423 H LYS 40 HN LYS 40 4.170 8.370 -9.576 424 HA LYS 40 HA LYS 40 1.746 9.442 -8.205 425 1HB LYS 40 2HB LYS 40 2.976 9.718 -10.941 426 2HB LYS 40 3HB LYS 40 1.250 9.953 -10.769 427 1HG LYS 40 2HG LYS 40 3.001 11.406 -8.775 428 2HG LYS 40 3HG LYS 40 3.143 11.895 -10.450 429 1HD LYS 40 2HD LYS 40 1.353 13.152 -10.325 430 2HD LYS 40 3HD LYS 40 0.326 11.764 -10.052 431 1HE LYS 40 2HE LYS 40 1.710 13.431 -7.883 432 2HE LYS 40 3HE LYS 40 0.021 13.547 -8.392 433 1HZ LYS 40 3HZ LYS 40 -0.143 11.141 -7.742 434 2HZ LYS 40 1HZ LYS 40 1.290 11.333 -6.953 435 3HZ LYS 40 2HZ LYS 40 -0.013 12.238 -6.525 436 QB LYS 40 QB LYS 40 2.114 9.836 -10.855 437 QG LYS 40 QG LYS 40 3.071 11.651 -9.613 438 QD LYS 40 QD LYS 40 0.839 12.457 -10.189 439 QE LYS 40 QE LYS 40 0.866 13.489 -8.138 440 QZ LYS 40 QZ LYS 40 0.378 11.570 -7.074 441 NH1 ARG 41 NH2 ARG 41 -2.894 4.294 -14.721 442 NH2 ARG 41 NH1 ARG 41 -4.713 3.595 -13.470 443 H ARG 41 HN ARG 41 2.691 7.124 -10.797 444 HA ARG 41 HA ARG 41 0.227 5.567 -10.187 445 1HB ARG 41 2HB ARG 41 0.622 7.038 -12.486 446 2HB ARG 41 3HB ARG 41 1.123 5.435 -13.002 447 1HG ARG 41 2HG ARG 41 -1.500 6.054 -11.560 448 2HG ARG 41 3HG ARG 41 -1.308 6.054 -13.310 449 1HD ARG 41 2HD ARG 41 -0.648 3.636 -13.256 450 2HD ARG 41 3HD ARG 41 -0.776 3.642 -11.507 451 HE ARG 41 HE ARG 41 -3.026 3.436 -11.611 452 1HH1 ARG 41 2HH2 ARG 41 -1.910 4.511 -14.771 453 2HH1 ARG 41 1HH2 ARG 41 -3.457 4.392 -15.552 454 1HH2 ARG 41 2HH1 ARG 41 -5.118 3.288 -12.596 455 2HH2 ARG 41 1HH1 ARG 41 -5.324 3.682 -14.269 456 QB ARG 41 QB ARG 41 0.872 6.237 -12.744 457 QG ARG 41 QG ARG 41 -1.404 6.053 -12.435 458 QD ARG 41 QD ARG 41 -0.712 3.638 -12.381 459 QH1 ARG 41 QH2 ARG 41 -2.684 4.452 -15.161 460 QH2 ARG 41 QH1 ARG 41 -5.221 3.484 -13.432 461 HA PRO 42 HA PRO 42 3.903 2.845 -9.753 462 1HB PRO 42 2HB PRO 42 2.907 1.223 -7.759 463 2HB PRO 42 3HB PRO 42 3.653 2.803 -7.433 464 1HG PRO 42 2HG PRO 42 0.773 2.061 -7.568 465 2HG PRO 42 3HG PRO 42 1.552 3.193 -6.454 466 1HD PRO 42 2HD PRO 42 0.128 3.921 -8.733 467 2HD PRO 42 3HD PRO 42 1.381 4.958 -7.988 468 QB PRO 42 QB PRO 42 3.280 2.012 -7.597 469 QG PRO 42 QG PRO 42 1.163 2.627 -7.011 470 QD PRO 42 QD PRO 42 0.754 4.439 -8.360 471 NH1 ARG 43 NH2 ARG 43 7.749 -5.079 -12.064 472 NH2 ARG 43 NH1 ARG 43 8.301 -5.193 -9.812 473 H ARG 43 HN ARG 43 4.106 0.528 -10.137 474 HA ARG 43 HA ARG 43 1.973 -0.566 -11.850 475 1HB ARG 43 2HB ARG 43 3.516 -2.329 -12.348 476 2HB ARG 43 3HB ARG 43 4.313 -0.769 -12.586 477 1HG ARG 43 2HG ARG 43 5.616 -1.024 -10.553 478 2HG ARG 43 3HG ARG 43 4.642 -2.411 -10.029 479 1HD ARG 43 2HD ARG 43 5.372 -3.659 -12.052 480 2HD ARG 43 3HD ARG 43 6.582 -2.375 -12.329 481 HE ARG 43 HE ARG 43 6.800 -3.187 -9.633 482 1HH1 ARG 43 2HH2 ARG 43 7.241 -4.623 -12.808 483 2HH1 ARG 43 1HH2 ARG 43 8.322 -5.879 -12.286 484 1HH2 ARG 43 2HH1 ARG 43 8.203 -4.860 -8.863 485 2HH2 ARG 43 1HH1 ARG 43 8.886 -6.001 -9.970 486 QB ARG 43 QB ARG 43 3.914 -1.549 -12.467 487 QG ARG 43 QG ARG 43 5.129 -1.717 -10.291 488 QD ARG 43 QD ARG 43 5.977 -3.017 -12.191 489 QH1 ARG 43 QH2 ARG 43 7.781 -5.251 -12.546 490 QH2 ARG 43 QH1 ARG 43 8.545 -5.431 -9.416 491 H PHE 44 HN PHE 44 3.265 -0.994 -8.606 492 HA PHE 44 HA PHE 44 1.997 -3.605 -8.264 493 1HB PHE 44 2HB PHE 44 3.132 -3.676 -6.168 494 2HB PHE 44 3HB PHE 44 4.254 -3.217 -7.427 495 HD1 PHE 44 1HD PHE 44 5.200 -0.876 -7.486 496 HD2 PHE 44 2HD PHE 44 2.478 -2.141 -4.396 497 HE1 PHE 44 1HE PHE 44 5.623 1.226 -6.236 498 HE2 PHE 44 2HE PHE 44 3.010 -0.107 -3.090 499 HZ PHE 44 HZ PHE 44 4.562 1.591 -4.023 500 QB PHE 44 QB PHE 44 3.693 -3.447 -6.798 501 QR PHE 44 QR PHE 44 4.078 -0.474 -5.302 502 H LEU 45 HN LEU 45 0.541 -0.815 -8.488 503 HA LEU 45 HA LEU 45 -0.757 -0.310 -6.058 504 1HB LEU 45 2HB LEU 45 -0.834 0.943 -8.424 505 2HB LEU 45 3HB LEU 45 -2.215 -0.093 -8.687 506 HG LEU 45 HG LEU 45 -3.114 0.759 -6.445 507 1HD1 LEU 45 2HD1 LEU 45 -0.970 1.958 -5.702 508 2HD1 LEU 45 3HD1 LEU 45 -1.216 3.079 -7.053 509 3HD1 LEU 45 1HD1 LEU 45 -2.386 3.017 -5.749 510 1HD2 LEU 45 3HD2 LEU 45 -3.921 1.328 -8.731 511 2HD2 LEU 45 1HD2 LEU 45 -4.228 2.550 -7.476 512 3HD2 LEU 45 2HD2 LEU 45 -2.931 2.796 -8.672 513 QB LEU 45 QB LEU 45 -1.524 0.425 -8.555 514 QD1 LEU 45 QD1 LEU 45 -1.524 2.685 -6.168 515 QD2 LEU 45 QD2 LEU 45 -3.693 2.225 -8.293 516 QQD LEU 45 QQD LEU 45 -2.608 2.455 -7.231 517 HA PRO 46 HA PRO 46 -4.142 -3.496 -7.196 518 1HB PRO 46 2HB PRO 46 -3.483 -5.579 -8.912 519 2HB PRO 46 3HB PRO 46 -4.412 -4.119 -9.342 520 1HG PRO 46 2HG PRO 46 -1.620 -4.800 -10.029 521 2HG PRO 46 3HG PRO 46 -2.723 -3.654 -10.822 522 1HD PRO 46 2HD PRO 46 -0.617 -3.140 -8.988 523 2HD PRO 46 3HD PRO 46 -1.723 -1.933 -9.685 524 QB PRO 46 QB PRO 46 -3.947 -4.848 -9.128 525 QG PRO 46 QG PRO 46 -2.172 -4.227 -10.425 526 QD PRO 46 QD PRO 46 -1.169 -2.537 -9.336 527 H GLU 47 HN GLU 47 -0.747 -4.721 -7.376 528 HA GLU 47 HA GLU 47 -1.124 -7.011 -5.807 529 1HB GLU 47 2HB GLU 47 1.266 -5.184 -6.221 530 2HB GLU 47 3HB GLU 47 1.332 -6.639 -5.223 531 1HG GLU 47 2HG GLU 47 2.121 -7.035 -7.543 532 2HG GLU 47 3HG GLU 47 0.756 -8.064 -7.085 533 QB GLU 47 QB GLU 47 1.299 -5.911 -5.722 534 QG GLU 47 QG GLU 47 1.439 -7.549 -7.314 535 H LEU 48 HN LEU 48 -0.293 -3.668 -4.733 536 HA LEU 48 HA LEU 48 -0.270 -4.403 -1.946 537 1HB LEU 48 2HB LEU 48 0.879 -2.446 -2.877 538 2HB LEU 48 3HB LEU 48 -0.653 -1.670 -3.254 539 HG LEU 48 HG LEU 48 -0.333 -2.587 -0.412 540 1HD1 LEU 48 2HD1 LEU 48 1.974 -1.845 -0.927 541 2HD1 LEU 48 3HD1 LEU 48 1.339 -0.279 -1.490 542 3HD1 LEU 48 1HD1 LEU 48 1.177 -0.754 0.209 543 1HD2 LEU 48 3HD2 LEU 48 -1.216 -0.017 -1.762 544 2HD2 LEU 48 1HD2 LEU 48 -2.264 -1.228 -0.983 545 3HD2 LEU 48 2HD2 LEU 48 -1.180 -0.227 -0.008 546 QB LEU 48 QB LEU 48 0.113 -2.058 -3.066 547 QD1 LEU 48 QD1 LEU 48 1.497 -0.959 -0.736 548 QD2 LEU 48 QD2 LEU 48 -1.554 -0.490 -0.918 549 QQD LEU 48 QQD LEU 48 -0.029 -0.725 -0.827 550 H ALA 49 HN ALA 49 -2.781 -2.982 -4.065 551 HA ALA 49 HA ALA 49 -4.752 -2.704 -2.096 552 1HB ALA 49 1HB ALA 49 -4.744 -2.994 -5.079 553 2HB ALA 49 2HB ALA 49 -6.273 -3.331 -4.288 554 3HB ALA 49 3HB ALA 49 -5.511 -1.764 -4.057 555 QB ALA 49 QB ALA 49 -5.510 -2.696 -4.475 556 H SER 50 HN SER 50 -3.987 -5.519 -4.115 557 HA SER 50 HA SER 50 -5.914 -7.328 -3.106 558 1HB SER 50 2HB SER 50 -4.581 -7.629 -5.198 559 2HB SER 50 3HB SER 50 -3.130 -7.905 -4.229 560 HG SER 50 HG SER 50 -5.455 -9.500 -4.439 561 QB SER 50 QB SER 50 -3.856 -7.766 -4.713 562 H ALA 51 HN ALA 51 -2.453 -6.882 -2.183 563 HA ALA 51 HA ALA 51 -2.271 -8.722 -0.124 564 1HB ALA 51 1HB ALA 51 -0.983 -5.966 -0.295 565 2HB ALA 51 2HB ALA 51 -0.465 -7.274 0.766 566 3HB ALA 51 3HB ALA 51 -0.355 -7.473 -0.997 567 QB ALA 51 QB ALA 51 -0.601 -6.904 -0.176 568 H LEU 52 HN LEU 52 -3.494 -5.380 0.038 569 HA LEU 52 HA LEU 52 -4.123 -5.566 2.865 570 1HB LEU 52 2HB LEU 52 -4.157 -3.458 0.744 571 2HB LEU 52 3HB LEU 52 -5.481 -3.353 1.859 572 HG LEU 52 HG LEU 52 -4.112 -2.010 2.887 573 1HD1 LEU 52 3HD1 LEU 52 -4.487 -4.025 4.493 574 2HD1 LEU 52 1HD1 LEU 52 -2.814 -4.474 4.148 575 3HD1 LEU 52 2HD1 LEU 52 -3.149 -2.928 4.893 576 1HD2 LEU 52 3HD2 LEU 52 -1.756 -3.545 1.941 577 2HD2 LEU 52 1HD2 LEU 52 -2.345 -1.934 1.459 578 3HD2 LEU 52 2HD2 LEU 52 -1.723 -2.174 3.108 579 QB LEU 52 QB LEU 52 -4.819 -3.406 1.301 580 QD1 LEU 52 QD1 LEU 52 -3.484 -3.809 4.511 581 QD2 LEU 52 QD2 LEU 52 -1.941 -2.551 2.170 582 QQD LEU 52 QQD LEU 52 -2.712 -3.180 3.340 583 H GLY 53 HN GLY 53 -5.846 -6.309 -0.039 584 1HA GLY 53 1HA GLY 53 -7.976 -7.021 -0.417 585 2HA GLY 53 2HA GLY 53 -8.269 -7.102 1.330 586 QA GLY 53 QA GLY 53 -8.123 -7.062 0.457 587 H VAL 54 HN VAL 54 -7.458 -4.542 -1.068 588 HA VAL 54 HA VAL 54 -10.079 -3.255 -0.628 589 HB VAL 54 HB VAL 54 -8.978 -0.998 -0.889 590 1HG1 VAL 54 2HG1 VAL 54 -9.831 -1.818 1.300 591 2HG1 VAL 54 3HG1 VAL 54 -8.194 -2.444 1.646 592 3HG1 VAL 54 1HG1 VAL 54 -8.461 -0.702 1.456 593 1HG2 VAL 54 3HG2 VAL 54 -6.748 -2.115 -1.623 594 2HG2 VAL 54 1HG2 VAL 54 -6.653 -0.675 -0.616 595 3HG2 VAL 54 2HG2 VAL 54 -6.412 -2.264 0.112 596 QG1 VAL 54 QG1 VAL 54 -8.829 -1.655 1.468 597 QG2 VAL 54 QG2 VAL 54 -6.604 -1.684 -0.709 598 QQG VAL 54 QQG VAL 54 -7.716 -1.670 0.380 599 H SER 55 HN SER 55 -10.457 -1.659 -2.525 600 HA SER 55 HA SER 55 -9.764 -2.990 -5.024 601 1HB SER 55 2HB SER 55 -11.524 -1.211 -5.764 602 2HB SER 55 3HB SER 55 -12.053 -2.522 -4.707 603 HG SER 55 HG SER 55 -11.384 0.124 -3.904 604 QB SER 55 QB SER 55 -11.788 -1.867 -5.235 605 H VAL 56 HN VAL 56 -8.730 -1.948 -6.753 606 HA VAL 56 HA VAL 56 -6.672 -0.055 -6.289 607 HB VAL 56 HB VAL 56 -8.191 -0.886 -8.807 608 1HG1 VAL 56 1HG1 VAL 56 -5.987 1.094 -8.357 609 2HG1 VAL 56 2HG1 VAL 56 -5.937 0.099 -9.829 610 3HG1 VAL 56 3HG1 VAL 56 -7.329 1.158 -9.506 611 1HG2 VAL 56 2HG2 VAL 56 -6.839 -2.657 -7.681 612 2HG2 VAL 56 3HG2 VAL 56 -6.123 -2.177 -9.224 613 3HG2 VAL 56 1HG2 VAL 56 -5.427 -1.576 -7.704 614 QG1 VAL 56 QG1 VAL 56 -6.417 0.784 -9.231 615 QG2 VAL 56 QG2 VAL 56 -6.130 -2.136 -8.203 616 QQG VAL 56 QQG VAL 56 -6.273 -0.677 -8.717 617 H ASP 57 HN ASP 57 -10.078 0.410 -7.341 618 HA ASP 57 HA ASP 57 -10.074 3.136 -7.843 619 1HB ASP 57 2HB ASP 57 -12.292 1.733 -6.297 620 2HB ASP 57 3HB ASP 57 -12.428 3.022 -7.502 621 QB ASP 57 QB ASP 57 -12.360 2.378 -6.900 622 CH2 TRP 58 CH2 TRP 58 -7.352 2.361 2.461 623 H TRP 58 HN TRP 58 -9.974 1.417 -4.720 624 HA TRP 58 HA TRP 58 -10.440 3.879 -3.185 625 1HB TRP 58 2HB TRP 58 -11.281 1.735 -2.339 626 2HB TRP 58 3HB TRP 58 -9.627 1.124 -2.236 627 HD1 TRP 58 HD1 TRP 58 -11.846 3.871 -0.704 628 HE1 TRP 58 HE1 TRP 58 -11.039 4.390 1.661 629 HE3 TRP 58 HE3 TRP 58 -7.429 1.356 -0.804 630 HZ2 TRP 58 HZ2 TRP 58 -8.841 3.632 3.383 631 HZ3 TRP 58 HZ3 TRP 58 -5.966 1.289 1.217 632 HH2 TRP 58 HH2 TRP 58 -6.696 2.346 3.320 633 QB TRP 58 QB TRP 58 -10.454 1.429 -2.287 634 H LEU 59 HN LEU 59 -7.686 1.747 -4.166 635 HA LEU 59 HA LEU 59 -5.763 3.192 -2.647 636 1HB LEU 59 2HB LEU 59 -5.683 1.347 -4.939 637 2HB LEU 59 3HB LEU 59 -4.383 2.504 -4.976 638 HG LEU 59 HG LEU 59 -5.129 0.665 -2.705 639 1HD1 LEU 59 2HD1 LEU 59 -3.984 -0.336 -4.710 640 2HD1 LEU 59 3HD1 LEU 59 -2.542 0.604 -4.270 641 3HD1 LEU 59 1HD1 LEU 59 -3.194 -0.602 -3.149 642 1HD2 LEU 59 3HD2 LEU 59 -3.504 3.104 -2.617 643 2HD2 LEU 59 1HD2 LEU 59 -3.964 2.014 -1.287 644 3HD2 LEU 59 2HD2 LEU 59 -2.505 1.713 -2.235 645 QB LEU 59 QB LEU 59 -5.033 1.925 -4.958 646 QD1 LEU 59 QD1 LEU 59 -3.240 -0.111 -4.043 647 QD2 LEU 59 QD2 LEU 59 -3.325 2.277 -2.046 648 QQD LEU 59 QQD LEU 59 -3.282 1.083 -3.044 649 H LEU 60 HN LEU 60 -7.183 3.946 -5.819 650 HA LEU 60 HA LEU 60 -5.667 6.435 -6.050 651 1HB LEU 60 2HB LEU 60 -7.948 5.240 -7.629 652 2HB LEU 60 3HB LEU 60 -7.237 6.806 -8.022 653 HG LEU 60 HG LEU 60 -5.685 4.190 -7.886 654 1HD1 LEU 60 1HD1 LEU 60 -7.350 4.280 -9.746 655 2HD1 LEU 60 2HD1 LEU 60 -6.539 5.742 -10.351 656 3HD1 LEU 60 3HD1 LEU 60 -5.666 4.192 -10.293 657 1HD2 LEU 60 1HD2 LEU 60 -4.875 6.989 -8.797 658 2HD2 LEU 60 2HD2 LEU 60 -4.116 6.018 -7.517 659 3HD2 LEU 60 3HD2 LEU 60 -3.954 5.527 -9.198 660 QB LEU 60 QB LEU 60 -7.592 6.023 -7.826 661 QD1 LEU 60 QD1 LEU 60 -6.518 4.738 -10.130 662 QD2 LEU 60 QD2 LEU 60 -4.316 6.179 -8.504 663 QQD LEU 60 QQD LEU 60 -5.417 5.458 -9.317 664 H ASN 61 HN ASN 61 -9.067 5.728 -5.122 665 HA ASN 61 HA ASN 61 -9.631 8.568 -4.660 666 1HB ASN 61 2HB ASN 61 -11.206 6.035 -4.027 667 2HB ASN 61 3HB ASN 61 -11.717 7.649 -3.555 668 1HD2 ASN 61 2HD2 ASN 61 -12.424 6.462 -7.335 669 2HD2 ASN 61 1HD2 ASN 61 -11.552 5.427 -6.203 670 QB ASN 61 QB ASN 61 -11.462 6.842 -3.791 671 QD2 ASN 61 QD2 ASN 61 -11.987 5.944 -6.769 672 H GLY 62 HN GLY 62 -9.402 5.713 -2.478 673 1HA GLY 62 1HA GLY 62 -8.460 5.627 -0.395 674 2HA GLY 62 2HA GLY 62 -8.368 7.399 -0.334 675 QA GLY 62 QA GLY 62 -8.414 6.513 -0.364 676 H THR 63 HN THR 63 -11.448 6.844 -1.268 677 HA THR 63 HA THR 63 -12.614 6.193 1.329 678 HB THR 63 HB THR 63 -14.005 8.325 1.135 679 HG1 THR 63 1HG THR 63 -11.810 9.040 -0.530 680 1HG2 THR 63 2HG2 THR 63 -12.162 7.989 2.847 681 2HG2 THR 63 3HG2 THR 63 -11.064 8.849 1.749 682 3HG2 THR 63 1HG2 THR 63 -12.478 9.680 2.404 683 QG2 THR 63 QG2 THR 63 -11.901 8.839 2.333 684 H SER 64 HN SER 64 -14.215 4.809 0.795 685 HA SER 64 HA SER 64 -15.442 4.960 -1.933 686 1HB SER 64 2HB SER 64 -14.010 2.896 -1.335 687 2HB SER 64 3HB SER 64 -15.299 2.487 -0.192 688 HG SER 64 HG SER 64 -15.500 1.608 -2.387 689 QB SER 64 QB SER 64 -14.654 2.691 -0.764 690 H ASP 65 HN ASP 65 -17.346 6.052 -1.634 691 HA ASP 65 HA ASP 65 -18.712 6.362 0.837 692 1HB ASP 65 2HB ASP 65 -20.557 7.152 -0.727 693 2HB ASP 65 3HB ASP 65 -19.017 8.018 -0.806 694 QB ASP 65 QB ASP 65 -19.787 7.585 -0.767 695 H SER 66 HN SER 66 -19.561 4.710 1.909 696 HA SER 66 HA SER 66 -20.660 2.798 2.454 697 1HB SER 66 2HB SER 66 -22.374 3.788 0.151 698 2HB SER 66 3HB SER 66 -22.848 2.489 1.260 699 HG SER 66 HG SER 66 -23.590 4.533 1.997 700 QB SER 66 QB SER 66 -22.611 3.139 0.706 701 H ASN 67 HN ASN 67 -18.647 1.620 1.706 702 HA ASN 67 HA ASN 67 -19.463 -0.471 -0.230 703 1HB ASN 67 2HB ASN 67 -17.998 1.533 -1.185 704 2HB ASN 67 3HB ASN 67 -16.677 0.661 -0.397 705 1HD2 ASN 67 2HD2 ASN 67 -18.588 -0.868 -3.716 706 2HD2 ASN 67 1HD2 ASN 67 -19.305 0.438 -2.782 707 QB ASN 67 QB ASN 67 -17.338 1.098 -0.790 708 QD2 ASN 67 QD2 ASN 67 -18.947 -0.215 -3.249 709 H VAL 68 HN VAL 68 -19.544 -2.165 1.141 710 HA VAL 68 HA VAL 68 -17.129 -2.946 2.646 711 HB VAL 68 HB VAL 68 -19.956 -2.704 3.783 712 1HG1 VAL 68 2HG1 VAL 68 -17.623 -4.382 4.677 713 2HG1 VAL 68 3HG1 VAL 68 -18.587 -3.568 5.916 714 3HG1 VAL 68 1HG1 VAL 68 -19.368 -4.685 4.791 715 1HG2 VAL 68 3HG2 VAL 68 -18.648 -0.607 3.913 716 2HG2 VAL 68 1HG2 VAL 68 -18.899 -1.309 5.510 717 3HG2 VAL 68 2HG2 VAL 68 -17.323 -1.486 4.708 718 QG1 VAL 68 QG1 VAL 68 -18.526 -4.211 5.129 719 QG2 VAL 68 QG2 VAL 68 -18.290 -1.134 4.711 720 QQG VAL 68 QQG VAL 68 -18.408 -2.673 4.920 721 NH1 ARG 69 NH2 ARG 69 -17.014 -10.778 -1.609 722 NH2 ARG 69 NH1 ARG 69 -14.821 -10.234 -2.123 723 H ARG 69 HN ARG 69 -16.968 -5.309 2.729 724 HA ARG 69 HA ARG 69 -18.960 -7.010 1.726 725 1HB ARG 69 2HB ARG 69 -17.901 -5.818 -0.423 726 2HB ARG 69 3HB ARG 69 -16.507 -6.843 -0.051 727 1HG ARG 69 2HG ARG 69 -18.152 -8.825 -0.063 728 2HG ARG 69 3HG ARG 69 -19.383 -7.690 -0.621 729 1HD ARG 69 2HD ARG 69 -18.529 -8.746 -2.612 730 2HD ARG 69 3HD ARG 69 -17.892 -7.110 -2.574 731 HE ARG 69 HE ARG 69 -15.756 -7.906 -2.380 732 1HH1 ARG 69 2HH2 ARG 69 -17.955 -10.465 -1.426 733 2HH1 ARG 69 1HH2 ARG 69 -16.775 -11.741 -1.429 734 1HH2 ARG 69 2HH1 ARG 69 -14.122 -9.553 -2.375 735 2HH2 ARG 69 1HH1 ARG 69 -14.530 -11.189 -1.970 736 QB ARG 69 QB ARG 69 -17.204 -6.330 -0.237 737 QG ARG 69 QG ARG 69 -18.768 -8.258 -0.342 738 QD ARG 69 QD ARG 69 -18.211 -7.928 -2.593 739 QH1 ARG 69 QH2 ARG 69 -17.365 -11.104 -1.427 740 QH2 ARG 69 QH1 ARG 69 -14.326 -10.372 -2.172 Start of MODEL 7 Raw file had 740 H/Q atoms Start of MODEL 7 1 H SER 1 HN SER 1 -5.032 10.201 4.436 2 HA SER 1 HA SER 1 -3.422 11.218 2.179 3 1HB SER 1 2HB SER 1 -2.725 10.750 5.116 4 2HB SER 1 3HB SER 1 -1.508 11.102 3.872 5 HG SER 1 HG SER 1 -2.290 13.000 4.904 6 QB SER 1 QB SER 1 -2.117 10.927 4.494 7 H ILE 2 HN ILE 2 -1.709 9.913 1.357 8 HA ILE 2 HA ILE 2 -2.626 7.305 0.882 9 HB ILE 2 HB ILE 2 -1.483 8.628 -0.734 10 1HG1 ILE 2 2HG1 ILE 2 0.340 6.269 -0.299 11 2HG1 ILE 2 3HG1 ILE 2 -1.385 5.993 -0.544 12 1HG2 ILE 2 1HG2 ILE 2 0.229 9.764 0.695 13 2HG2 ILE 2 2HG2 ILE 2 1.129 8.240 0.792 14 3HG2 ILE 2 3HG2 ILE 2 0.905 9.043 -0.765 15 1HD1 ILE 2 3HD1 ILE 2 -1.283 7.397 -2.653 16 2HD1 ILE 2 1HD1 ILE 2 0.486 7.364 -2.497 17 3HD1 ILE 2 2HD1 ILE 2 -0.438 5.852 -2.697 18 QG1 ILE 2 QG1 ILE 2 -0.523 6.131 -0.422 19 QG2 ILE 2 QG2 ILE 2 0.754 9.016 0.240 20 QD1 ILE 2 QD1 ILE 2 -0.412 6.871 -2.615 21 H SER 3 HN SER 3 0.286 8.336 2.735 22 HA SER 3 HA SER 3 0.962 5.831 3.829 23 1HB SER 3 2HB SER 3 2.385 7.790 4.184 24 2HB SER 3 3HB SER 3 1.106 8.603 5.138 25 HG SER 3 HG SER 3 2.420 6.167 5.812 26 QB SER 3 QB SER 3 1.745 8.196 4.661 27 H SER 4 HN SER 4 -1.400 8.293 5.160 28 HA SER 4 HA SER 4 -2.244 6.764 7.305 29 1HB SER 4 2HB SER 4 -4.049 8.483 5.573 30 2HB SER 4 3HB SER 4 -4.387 7.959 7.213 31 HG SER 4 HG SER 4 -2.681 9.190 7.943 32 QB SER 4 QB SER 4 -4.218 8.221 6.393 33 NH1 ARG 5 NH2 ARG 5 -4.163 4.548 -0.528 34 NH2 ARG 5 NH1 ARG 5 -3.830 6.479 -1.756 35 H ARG 5 HN ARG 5 -3.395 6.412 3.884 36 HA ARG 5 HA ARG 5 -5.381 4.446 4.614 37 1HB ARG 5 2HB ARG 5 -3.903 4.888 2.019 38 2HB ARG 5 3HB ARG 5 -5.098 3.734 2.180 39 1HG ARG 5 2HG ARG 5 -6.669 5.598 3.014 40 2HG ARG 5 3HG ARG 5 -5.412 6.754 2.634 41 1HD ARG 5 2HD ARG 5 -6.616 4.855 0.552 42 2HD ARG 5 3HD ARG 5 -7.200 6.455 0.964 43 HE ARG 5 HE ARG 5 -5.502 7.453 -0.180 44 1HH1 ARG 5 2HH2 ARG 5 -4.702 4.042 0.157 45 2HH1 ARG 5 1HH2 ARG 5 -3.360 4.105 -0.945 46 1HH2 ARG 5 2HH1 ARG 5 -4.037 7.448 -1.943 47 2HH2 ARG 5 1HH1 ARG 5 -3.455 5.942 -2.535 48 QB ARG 5 QB ARG 5 -4.500 4.310 2.099 49 QG ARG 5 QG ARG 5 -6.040 6.176 2.824 50 QD ARG 5 QD ARG 5 -6.908 5.655 0.758 51 QH1 ARG 5 QH2 ARG 5 -4.032 4.074 -0.394 52 QH2 ARG 5 QH1 ARG 5 -3.745 6.695 -2.239 53 H VAL 6 HN VAL 6 -2.090 4.036 3.187 54 HA VAL 6 HA VAL 6 -2.180 1.198 3.209 55 HB VAL 6 HB VAL 6 0.224 3.080 3.360 56 1HG1 VAL 6 3HG1 VAL 6 0.023 0.128 2.671 57 2HG1 VAL 6 1HG1 VAL 6 1.466 1.121 2.436 58 3HG1 VAL 6 2HG1 VAL 6 0.885 0.813 4.074 59 1HG2 VAL 6 2HG2 VAL 6 -1.143 1.659 1.023 60 2HG2 VAL 6 3HG2 VAL 6 -1.141 3.411 1.309 61 3HG2 VAL 6 1HG2 VAL 6 0.370 2.579 0.916 62 QG1 VAL 6 QG1 VAL 6 0.792 0.687 3.061 63 QG2 VAL 6 QG2 VAL 6 -0.637 2.549 1.082 64 QQG VAL 6 QQG VAL 6 0.077 1.618 2.071 65 H LYS 7 HN LYS 7 -0.880 3.497 5.584 66 HA LYS 7 HA LYS 7 -0.045 1.608 7.464 67 1HB LYS 7 2HB LYS 7 0.691 3.945 7.221 68 2HB LYS 7 3HB LYS 7 -0.798 4.505 7.992 69 1HG LYS 7 2HG LYS 7 -0.156 3.743 10.070 70 2HG LYS 7 3HG LYS 7 0.802 2.395 9.428 71 1HD LYS 7 2HD LYS 7 2.570 3.851 8.666 72 2HD LYS 7 3HD LYS 7 1.687 5.304 9.111 73 1HE LYS 7 2HE LYS 7 2.482 3.131 11.123 74 2HE LYS 7 3HE LYS 7 3.534 4.499 10.734 75 1HZ LYS 7 1HZ LYS 7 0.793 4.844 11.741 76 2HZ LYS 7 2HZ LYS 7 2.121 4.816 12.708 77 3HZ LYS 7 3HZ LYS 7 1.957 5.993 11.573 78 QB LYS 7 QB LYS 7 -0.054 4.225 7.606 79 QG LYS 7 QG LYS 7 0.323 3.069 9.750 80 QD LYS 7 QD LYS 7 2.129 4.577 8.888 81 QE LYS 7 QE LYS 7 3.008 3.814 10.929 82 QZ LYS 7 QZ LYS 7 1.623 5.218 12.008 83 H SER 8 HN SER 8 -3.117 3.649 7.573 84 HA SER 8 HA SER 8 -4.238 2.459 9.843 85 1HB SER 8 2HB SER 8 -5.637 3.384 7.304 86 2HB SER 8 3HB SER 8 -6.462 2.967 8.810 87 HG SER 8 HG SER 8 -5.257 5.248 8.168 88 QB SER 8 QB SER 8 -6.050 3.176 8.058 89 H LYS 9 HN LYS 9 -4.438 1.294 6.430 90 HA LYS 9 HA LYS 9 -6.135 -0.869 7.102 91 1HB LYS 9 2HB LYS 9 -5.458 0.234 4.790 92 2HB LYS 9 3HB LYS 9 -4.273 -1.062 4.751 93 1HG LYS 9 2HG LYS 9 -7.317 -1.222 4.975 94 2HG LYS 9 3HG LYS 9 -6.309 -1.638 3.582 95 1HD LYS 9 2HD LYS 9 -5.271 -3.492 4.951 96 2HD LYS 9 3HD LYS 9 -6.439 -3.187 6.212 97 1HE LYS 9 2HE LYS 9 -7.091 -3.972 3.332 98 2HE LYS 9 3HE LYS 9 -7.043 -5.068 4.738 99 1HZ LYS 9 1HZ LYS 9 -8.911 -2.828 4.493 100 2HZ LYS 9 2HZ LYS 9 -9.236 -4.386 4.070 101 3HZ LYS 9 3HZ LYS 9 -8.894 -4.017 5.642 102 QB LYS 9 QB LYS 9 -4.865 -0.414 4.770 103 QG LYS 9 QG LYS 9 -6.813 -1.430 4.278 104 QD LYS 9 QD LYS 9 -5.855 -3.339 5.581 105 QE LYS 9 QE LYS 9 -7.067 -4.520 4.036 106 QZ LYS 9 QZ LYS 9 -9.014 -3.744 4.735 107 NH1 ARG 10 NH2 ARG 10 2.999 -1.239 10.187 108 NH2 ARG 10 NH1 ARG 10 3.881 0.702 9.275 109 H ARG 10 HN ARG 10 -2.571 -0.529 6.769 110 HA ARG 10 HA ARG 10 -1.810 -3.171 7.383 111 1HB ARG 10 2HB ARG 10 -0.296 -1.531 6.447 112 2HB ARG 10 3HB ARG 10 -0.370 -0.541 7.915 113 1HG ARG 10 2HG ARG 10 0.669 -2.153 9.247 114 2HG ARG 10 3HG ARG 10 0.489 -3.411 8.015 115 1HD ARG 10 2HD ARG 10 2.716 -2.828 7.914 116 2HD ARG 10 3HD ARG 10 2.014 -2.114 6.489 117 HE ARG 10 HE ARG 10 2.845 -0.124 7.162 118 1HH1 ARG 10 2HH2 ARG 10 2.532 -2.144 10.074 119 2HH1 ARG 10 1HH2 ARG 10 3.372 -1.025 11.098 120 1HH2 ARG 10 2HH1 ARG 10 4.095 1.294 8.478 121 2HH2 ARG 10 1HH1 ARG 10 4.356 0.911 10.139 122 QB ARG 10 QB ARG 10 -0.333 -1.036 7.181 123 QG ARG 10 QG ARG 10 0.579 -2.782 8.631 124 QD ARG 10 QD ARG 10 2.365 -2.470 7.202 125 QH1 ARG 10 QH2 ARG 10 2.952 -1.585 10.586 126 QH2 ARG 10 QH1 ARG 10 4.225 1.103 9.309 127 H ILE 11 HN ILE 11 -2.730 -0.488 9.568 128 HA ILE 11 HA ILE 11 -2.034 -1.831 12.016 129 HB ILE 11 HB ILE 11 -3.796 0.536 11.329 130 1HG1 ILE 11 2HG1 ILE 11 -2.424 1.433 13.300 131 2HG1 ILE 11 3HG1 ILE 11 -1.394 0.009 13.129 132 1HG2 ILE 11 2HG2 ILE 11 -3.843 -0.928 13.991 133 2HG2 ILE 11 3HG2 ILE 11 -4.430 0.725 13.742 134 3HG2 ILE 11 1HG2 ILE 11 -5.229 -0.595 12.926 135 1HD1 ILE 11 1HD1 ILE 11 -1.965 2.113 10.997 136 2HD1 ILE 11 2HD1 ILE 11 -0.524 2.066 12.018 137 3HD1 ILE 11 3HD1 ILE 11 -0.795 0.759 10.852 138 QG1 ILE 11 QG1 ILE 11 -1.909 0.722 13.214 139 QG2 ILE 11 QG2 ILE 11 -4.501 -0.266 13.553 140 QD1 ILE 11 QD1 ILE 11 -1.095 1.646 11.289 141 H GLN 12 HN GLN 12 -5.207 -1.448 10.361 142 HA GLN 12 HA GLN 12 -6.562 -3.210 12.086 143 1HB GLN 12 2HB GLN 12 -8.341 -3.418 10.502 144 2HB GLN 12 3HB GLN 12 -7.702 -1.757 10.392 145 1HG GLN 12 2HG GLN 12 -6.661 -2.169 8.467 146 2HG GLN 12 3HG GLN 12 -6.805 -3.923 8.495 147 1HE2 GLN 12 2HE2 GLN 12 -9.999 -1.715 7.147 148 2HE2 GLN 12 1HE2 GLN 12 -8.745 -0.919 8.073 149 QB GLN 12 QB GLN 12 -8.021 -2.587 10.447 150 QG GLN 12 QG GLN 12 -6.733 -3.045 8.481 151 QE2 GLN 12 QE2 GLN 12 -9.371 -1.317 7.610 152 H LEU 13 HN LEU 13 -4.568 -4.049 9.281 153 HA LEU 13 HA LEU 13 -5.021 -6.930 9.512 154 1HB LEU 13 2HB LEU 13 -3.489 -5.040 7.798 155 2HB LEU 13 3HB LEU 13 -2.652 -6.535 8.075 156 HG LEU 13 HG LEU 13 -4.253 -6.190 6.022 157 1HD1 LEU 13 2HD1 LEU 13 -3.561 -8.616 7.607 158 2HD1 LEU 13 3HD1 LEU 13 -4.819 -8.817 6.377 159 3HD1 LEU 13 1HD1 LEU 13 -3.233 -8.194 5.912 160 1HD2 LEU 13 2HD2 LEU 13 -6.303 -5.739 7.435 161 2HD2 LEU 13 3HD2 LEU 13 -6.462 -6.972 6.181 162 3HD2 LEU 13 1HD2 LEU 13 -6.300 -7.466 7.863 163 QB LEU 13 QB LEU 13 -3.071 -5.787 7.937 164 QD1 LEU 13 QD1 LEU 13 -3.871 -8.542 6.632 165 QD2 LEU 13 QD2 LEU 13 -6.355 -6.726 7.160 166 QQD LEU 13 QQD LEU 13 -5.113 -7.634 6.896 167 H GLY 14 HN GLY 14 -2.719 -4.668 10.922 168 1HA GLY 14 1HA GLY 14 -1.339 -4.941 12.708 169 2HA GLY 14 2HA GLY 14 -1.920 -6.600 12.910 170 QA GLY 14 QA GLY 14 -1.630 -5.771 12.809 171 H LEU 15 HN LEU 15 -0.208 -4.889 10.222 172 HA LEU 15 HA LEU 15 2.018 -6.915 10.431 173 1HB LEU 15 2HB LEU 15 0.821 -5.863 7.851 174 2HB LEU 15 3HB LEU 15 2.093 -7.079 8.010 175 HG LEU 15 HG LEU 15 -0.780 -7.428 8.954 176 1HD1 LEU 15 1HD1 LEU 15 0.619 -8.454 6.456 177 2HD1 LEU 15 2HD1 LEU 15 -1.001 -8.941 6.999 178 3HD1 LEU 15 3HD1 LEU 15 -0.693 -7.261 6.517 179 1HD2 LEU 15 2HD2 LEU 15 1.147 -8.899 10.035 180 2HD2 LEU 15 3HD2 LEU 15 -0.357 -9.630 9.478 181 3HD2 LEU 15 1HD2 LEU 15 1.096 -9.727 8.473 182 QB LEU 15 QB LEU 15 1.457 -6.471 7.930 183 QD1 LEU 15 QD1 LEU 15 -0.358 -8.218 6.657 184 QD2 LEU 15 QD2 LEU 15 0.628 -9.419 9.328 185 QQD LEU 15 QQD LEU 15 0.135 -8.819 7.993 186 H ASN 16 HN ASN 16 3.958 -6.163 9.023 187 HA ASN 16 HA ASN 16 4.458 -3.265 9.547 188 1HB ASN 16 2HB ASN 16 6.806 -3.740 9.564 189 2HB ASN 16 3HB ASN 16 5.945 -4.647 10.810 190 1HD2 ASN 16 2HD2 ASN 16 8.234 -7.124 9.362 191 2HD2 ASN 16 1HD2 ASN 16 8.340 -5.716 10.411 192 QB ASN 16 QB ASN 16 6.376 -4.193 10.187 193 QD2 ASN 16 QD2 ASN 16 8.287 -6.421 9.887 194 H GLN 17 HN GLN 17 5.882 -2.206 7.959 195 HA GLN 17 HA GLN 17 4.665 -2.280 5.385 196 1HB GLN 17 2HB GLN 17 7.022 -0.896 6.605 197 2HB GLN 17 3HB GLN 17 6.823 -0.851 4.830 198 1HG GLN 17 2HG GLN 17 4.641 0.222 5.102 199 2HG GLN 17 3HG GLN 17 4.749 -0.061 6.839 200 1HE2 GLN 17 2HE2 GLN 17 6.969 3.045 5.325 201 2HE2 GLN 17 1HE2 GLN 17 6.308 1.849 4.232 202 QB GLN 17 QB GLN 17 6.923 -0.873 5.717 203 QG GLN 17 QG GLN 17 4.696 0.080 5.971 204 QE2 GLN 17 QE2 GLN 17 6.639 2.448 4.779 205 H ALA 18 HN ALA 18 7.600 -3.815 6.644 206 HA ALA 18 HA ALA 18 8.647 -4.939 4.281 207 1HB ALA 18 3HB ALA 18 8.794 -5.475 7.200 208 2HB ALA 18 1HB ALA 18 9.099 -6.887 6.176 209 3HB ALA 18 2HB ALA 18 10.068 -5.416 5.978 210 QB ALA 18 QB ALA 18 9.321 -5.926 6.451 211 H GLU 19 HN GLU 19 6.344 -6.583 6.538 212 HA GLU 19 HA GLU 19 5.826 -8.797 4.870 213 1HB GLU 19 2HB GLU 19 4.278 -7.404 7.080 214 2HB GLU 19 3HB GLU 19 3.565 -8.719 6.192 215 1HG GLU 19 2HG GLU 19 5.532 -10.187 6.750 216 2HG GLU 19 3HG GLU 19 6.195 -8.879 7.732 217 QB GLU 19 QB GLU 19 3.922 -8.062 6.636 218 QG GLU 19 QG GLU 19 5.863 -9.533 7.241 219 H LEU 20 HN LEU 20 4.149 -5.634 5.157 220 HA LEU 20 HA LEU 20 2.154 -6.125 3.238 221 1HB LEU 20 2HB LEU 20 2.547 -4.121 4.770 222 2HB LEU 20 3HB LEU 20 3.590 -3.451 3.509 223 HG LEU 20 HG LEU 20 0.712 -4.355 3.018 224 1HD1 LEU 20 1HD1 LEU 20 1.767 -1.650 3.930 225 2HD1 LEU 20 2HD1 LEU 20 0.134 -1.950 3.304 226 3HD1 LEU 20 3HD1 LEU 20 0.655 -2.747 4.792 227 1HD2 LEU 20 1HD2 LEU 20 2.726 -3.429 1.227 228 2HD2 LEU 20 2HD2 LEU 20 0.989 -3.621 0.914 229 3HD2 LEU 20 3HD2 LEU 20 1.641 -2.066 1.463 230 QB LEU 20 QB LEU 20 3.069 -3.786 4.140 231 QD1 LEU 20 QD1 LEU 20 0.852 -2.116 4.009 232 QD2 LEU 20 QD2 LEU 20 1.785 -3.038 1.202 233 QQD LEU 20 QQD LEU 20 1.319 -2.577 2.605 234 H ALA 21 HN ALA 21 5.503 -4.853 2.704 235 HA ALA 21 HA ALA 21 5.406 -4.801 -0.089 236 1HB ALA 21 2HB ALA 21 7.302 -4.114 1.702 237 2HB ALA 21 3HB ALA 21 7.998 -5.645 1.137 238 3HB ALA 21 1HB ALA 21 7.595 -4.372 -0.026 239 QB ALA 21 QB ALA 21 7.631 -4.710 0.937 240 H GLN 22 HN GLN 22 6.283 -7.551 2.040 241 HA GLN 22 HA GLN 22 6.893 -9.350 -0.105 242 1HB GLN 22 2HB GLN 22 5.998 -9.798 2.753 243 2HB GLN 22 3HB GLN 22 6.330 -11.134 1.642 244 1HG GLN 22 2HG GLN 22 8.604 -10.367 1.270 245 2HG GLN 22 3HG GLN 22 8.350 -8.950 2.308 246 1HE2 GLN 22 2HE2 GLN 22 10.054 -11.666 4.283 247 2HE2 GLN 22 1HE2 GLN 22 10.439 -10.824 2.792 248 QB GLN 22 QB GLN 22 6.164 -10.466 2.198 249 QG GLN 22 QG GLN 22 8.477 -9.658 1.789 250 QE2 GLN 22 QE2 GLN 22 10.247 -11.244 3.538 251 H LYS 23 HN LYS 23 3.761 -8.727 1.584 252 HA LYS 23 HA LYS 23 2.337 -10.727 0.044 253 1HB LYS 23 2HB LYS 23 1.393 -8.371 1.728 254 2HB LYS 23 3HB LYS 23 0.315 -9.341 0.724 255 1HG LYS 23 2HG LYS 23 -0.024 -10.521 2.567 256 2HG LYS 23 3HG LYS 23 1.397 -11.398 2.002 257 1HD LYS 23 2HD LYS 23 2.821 -10.119 3.479 258 2HD LYS 23 3HD LYS 23 1.465 -9.101 4.014 259 1HE LYS 23 2HE LYS 23 0.566 -10.771 5.384 260 2HE LYS 23 3HE LYS 23 1.252 -12.081 4.421 261 1HZ LYS 23 2HZ LYS 23 3.300 -10.527 5.641 262 2HZ LYS 23 3HZ LYS 23 2.389 -11.124 6.790 263 3HZ LYS 23 1HZ LYS 23 3.053 -12.130 5.679 264 QB LYS 23 QB LYS 23 0.853 -8.856 1.227 265 QG LYS 23 QG LYS 23 0.686 -10.960 2.285 266 QD LYS 23 QD LYS 23 2.143 -9.610 3.747 267 QE LYS 23 QE LYS 23 0.909 -11.426 4.902 268 QZ LYS 23 QZ LYS 23 2.914 -11.260 6.036 269 H VAL 24 HN VAL 24 3.143 -7.312 -0.537 270 HA VAL 24 HA VAL 24 1.656 -7.191 -3.030 271 HB VAL 24 HB VAL 24 4.047 -5.615 -2.073 272 1HG1 VAL 24 2HG1 VAL 24 3.371 -5.539 -4.631 273 2HG1 VAL 24 3HG1 VAL 24 2.028 -4.557 -4.036 274 3HG1 VAL 24 1HG1 VAL 24 3.698 -4.053 -3.750 275 1HG2 VAL 24 3HG2 VAL 24 1.263 -5.558 -1.224 276 2HG2 VAL 24 1HG2 VAL 24 2.670 -4.665 -0.618 277 3HG2 VAL 24 2HG2 VAL 24 1.738 -4.010 -1.932 278 QG1 VAL 24 QG1 VAL 24 3.032 -4.716 -4.139 279 QG2 VAL 24 QG2 VAL 24 1.891 -4.745 -1.258 280 QQG VAL 24 QQG VAL 24 2.461 -4.730 -2.699 281 H GLY 25 HN GLY 25 4.957 -8.242 -2.117 282 1HA GLY 25 1HA GLY 25 6.321 -9.722 -3.320 283 2HA GLY 25 2HA GLY 25 5.340 -9.519 -4.777 284 QA GLY 25 QA GLY 25 5.831 -9.620 -4.048 285 H THR 26 HN THR 26 6.613 -6.962 -2.662 286 HA THR 26 HA THR 26 8.729 -6.247 -4.597 287 HB THR 26 HB THR 26 6.726 -4.844 -5.128 288 HG1 THR 26 1HG THR 26 8.665 -3.944 -5.590 289 1HG2 THR 26 2HG2 THR 26 5.860 -4.667 -2.755 290 2HG2 THR 26 3HG2 THR 26 7.160 -3.523 -2.410 291 3HG2 THR 26 1HG2 THR 26 5.952 -3.132 -3.641 292 QG2 THR 26 QG2 THR 26 6.324 -3.774 -2.936 293 H THR 27 HN THR 27 9.383 -3.924 -3.146 294 HA THR 27 HA THR 27 10.526 -5.065 -0.608 295 HB THR 27 HB THR 27 12.315 -3.254 -1.166 296 HG1 THR 27 1HG THR 27 10.848 -2.397 -2.899 297 1HG2 THR 27 1HG2 THR 27 11.929 -5.731 -2.918 298 2HG2 THR 27 2HG2 THR 27 13.435 -4.796 -2.822 299 3HG2 THR 27 3HG2 THR 27 12.815 -5.632 -1.383 300 QG2 THR 27 QG2 THR 27 12.727 -5.386 -2.374 301 H GLN 28 HN GLN 28 10.330 -3.839 1.233 302 HA GLN 28 HA GLN 28 8.307 -2.094 1.778 303 1HB GLN 28 2HB GLN 28 9.553 -2.975 3.558 304 2HB GLN 28 3HB GLN 28 11.091 -2.336 2.956 305 1HG GLN 28 2HG GLN 28 10.467 -0.063 3.565 306 2HG GLN 28 3HG GLN 28 8.817 -0.564 3.929 307 1HE2 GLN 28 2HE2 GLN 28 11.878 -1.390 6.575 308 2HE2 GLN 28 1HE2 GLN 28 12.243 -1.012 4.902 309 QB GLN 28 QB GLN 28 10.322 -2.655 3.257 310 QG GLN 28 QG GLN 28 9.642 -0.313 3.747 311 QE2 GLN 28 QE2 GLN 28 12.061 -1.201 5.739 312 H GLN 29 HN GLN 29 11.475 -1.176 0.519 313 HA GLN 29 HA GLN 29 11.447 1.540 0.614 314 1HB GLN 29 2HB GLN 29 12.987 -0.365 -0.578 315 2HB GLN 29 3HB GLN 29 12.273 0.339 -2.026 316 1HG GLN 29 2HG GLN 29 13.629 2.000 0.165 317 2HG GLN 29 3HG GLN 29 14.525 1.221 -1.132 318 1HE2 GLN 29 2HE2 GLN 29 12.603 4.681 -1.954 319 2HE2 GLN 29 1HE2 GLN 29 12.492 3.972 -0.353 320 QB GLN 29 QB GLN 29 12.630 -0.014 -1.302 321 QG GLN 29 QG GLN 29 14.078 1.610 -0.484 322 QE2 GLN 29 QE2 GLN 29 12.547 4.326 -1.154 323 H SER 30 HN SER 30 9.648 -0.449 -1.788 324 HA SER 30 HA SER 30 8.606 1.703 -3.344 325 1HB SER 30 2HB SER 30 7.630 -1.129 -2.831 326 2HB SER 30 3HB SER 30 6.904 -0.023 -3.992 327 HG SER 30 HG SER 30 8.891 0.089 -5.068 328 QB SER 30 QB SER 30 7.267 -0.576 -3.412 329 H ILE 31 HN ILE 31 7.207 -0.066 -0.509 330 HA ILE 31 HA ILE 31 4.808 1.453 -0.456 331 HB ILE 31 HB ILE 31 6.243 -0.205 1.678 332 1HG1 ILE 31 2HG1 ILE 31 4.362 -1.739 1.233 333 2HG1 ILE 31 3HG1 ILE 31 3.808 -0.679 -0.087 334 1HG2 ILE 31 1HG2 ILE 31 3.525 1.160 1.652 335 2HG2 ILE 31 2HG2 ILE 31 3.966 -0.118 2.801 336 3HG2 ILE 31 3HG2 ILE 31 4.827 1.420 2.821 337 1HD1 ILE 31 1HD1 ILE 31 6.470 -2.136 -0.066 338 2HD1 ILE 31 2HD1 ILE 31 4.966 -2.766 -0.779 339 3HD1 ILE 31 3HD1 ILE 31 5.683 -1.322 -1.453 340 QG1 ILE 31 QG1 ILE 31 4.085 -1.209 0.572 341 QG2 ILE 31 QG2 ILE 31 4.106 0.820 2.425 342 QD1 ILE 31 QD1 ILE 31 5.706 -2.075 -0.766 343 H GLU 32 HN GLU 32 7.835 1.724 1.462 344 HA GLU 32 HA GLU 32 7.270 4.023 2.926 345 1HB GLU 32 2HB GLU 32 9.238 2.594 3.176 346 2HB GLU 32 3HB GLU 32 9.921 3.202 1.667 347 1HG GLU 32 2HG GLU 32 10.737 5.056 2.687 348 2HG GLU 32 3HG GLU 32 9.199 5.404 3.494 349 QB GLU 32 QB GLU 32 9.579 2.898 2.422 350 QG GLU 32 QG GLU 32 9.969 5.231 3.091 351 H GLN 33 HN GLN 33 8.644 3.891 -0.415 352 HA GLN 33 HA GLN 33 8.685 6.682 -0.840 353 1HB GLN 33 2HB GLN 33 9.581 6.013 -2.725 354 2HB GLN 33 3HB GLN 33 9.139 4.357 -2.406 355 1HG GLN 33 2HG GLN 33 7.025 4.642 -3.645 356 2HG GLN 33 3HG GLN 33 7.405 6.350 -3.917 357 1HE2 GLN 33 2HE2 GLN 33 9.803 3.581 -5.835 358 2HE2 GLN 33 1HE2 GLN 33 9.351 3.306 -4.161 359 QB GLN 33 QB GLN 33 9.360 5.185 -2.566 360 QG GLN 33 QG GLN 33 7.215 5.496 -3.781 361 QE2 GLN 33 QE2 GLN 33 9.576 3.444 -4.998 362 H LEU 34 HN LEU 34 6.081 4.340 -1.518 363 HA LEU 34 HA LEU 34 4.221 6.218 -2.489 364 1HB LEU 34 2HB LEU 34 4.092 3.675 -2.613 365 2HB LEU 34 3HB LEU 34 3.557 3.698 -0.928 366 HG LEU 34 HG LEU 34 1.654 5.164 -1.618 367 1HD1 LEU 34 2HD1 LEU 34 2.713 4.501 -4.395 368 2HD1 LEU 34 3HD1 LEU 34 1.049 5.018 -4.126 369 3HD1 LEU 34 1HD1 LEU 34 2.370 6.113 -3.710 370 1HD2 LEU 34 2HD2 LEU 34 1.615 2.568 -1.420 371 2HD2 LEU 34 3HD2 LEU 34 0.267 3.391 -2.216 372 3HD2 LEU 34 1HD2 LEU 34 1.513 2.591 -3.192 373 QB LEU 34 QB LEU 34 3.825 3.686 -1.771 374 QD1 LEU 34 QD1 LEU 34 2.044 5.211 -4.077 375 QD2 LEU 34 QD2 LEU 34 1.131 2.850 -2.276 376 QQD LEU 34 QQD LEU 34 1.587 4.030 -3.176 377 H GLU 35 HN GLU 35 4.799 5.153 0.886 378 HA GLU 35 HA GLU 35 2.772 6.627 2.162 379 1HB GLU 35 2HB GLU 35 5.519 5.840 3.211 380 2HB GLU 35 3HB GLU 35 4.177 6.308 4.198 381 1HG GLU 35 2HG GLU 35 3.327 4.126 2.428 382 2HG GLU 35 3HG GLU 35 4.878 3.728 3.191 383 QB GLU 35 QB GLU 35 4.848 6.074 3.705 384 QG GLU 35 QG GLU 35 4.101 3.927 2.810 385 H ASN 36 HN ASN 36 6.151 7.449 1.364 386 HA ASN 36 HA ASN 36 6.012 10.189 2.308 387 1HB ASN 36 2HB ASN 36 7.916 8.741 0.440 388 2HB ASN 36 3HB ASN 36 8.142 10.418 0.965 389 1HD2 ASN 36 2HD2 ASN 36 10.100 8.040 3.163 390 2HD2 ASN 36 1HD2 ASN 36 9.979 8.177 1.421 391 QB ASN 36 QB ASN 36 8.029 9.580 0.702 392 QD2 ASN 36 QD2 ASN 36 10.040 8.108 2.291 393 H GLY 37 HN GLY 37 4.325 8.820 -0.256 394 1HA GLY 37 1HA GLY 37 3.049 9.798 -1.847 395 2HA GLY 37 2HA GLY 37 3.368 11.342 -1.046 396 QA GLY 37 QA GLY 37 3.210 10.570 -1.446 397 H LYS 38 HN LYS 38 5.138 8.950 -3.072 398 HA LYS 38 HA LYS 38 5.887 11.058 -5.021 399 1HB LYS 38 2HB LYS 38 8.322 10.208 -4.776 400 2HB LYS 38 3HB LYS 38 7.690 11.400 -3.638 401 1HG LYS 38 2HG LYS 38 7.295 9.757 -1.934 402 2HG LYS 38 3HG LYS 38 7.696 8.437 -3.039 403 1HD LYS 38 2HD LYS 38 9.648 10.548 -1.981 404 2HD LYS 38 3HD LYS 38 9.387 8.948 -1.306 405 1HE LYS 38 2HE LYS 38 11.179 8.401 -2.610 406 2HE LYS 38 3HE LYS 38 9.868 8.074 -3.754 407 1HZ LYS 38 3HZ LYS 38 10.259 10.481 -4.440 408 2HZ LYS 38 1HZ LYS 38 11.715 10.334 -3.686 409 3HZ LYS 38 2HZ LYS 38 11.328 9.334 -4.938 410 QB LYS 38 QB LYS 38 8.006 10.804 -4.207 411 QG LYS 38 QG LYS 38 7.495 9.097 -2.486 412 QD LYS 38 QD LYS 38 9.517 9.748 -1.643 413 QE LYS 38 QE LYS 38 10.523 8.238 -3.181 414 QZ LYS 38 QZ LYS 38 11.100 10.049 -4.355 415 H THR 39 HN THR 39 4.041 9.263 -5.542 416 HA THR 39 HA THR 39 5.274 7.612 -7.643 417 HB THR 39 HB THR 39 3.180 6.430 -5.802 418 HG1 THR 39 1HG THR 39 4.841 5.352 -4.700 419 1HG2 THR 39 3HG2 THR 39 3.552 5.346 -8.020 420 2HG2 THR 39 1HG2 THR 39 5.263 5.108 -7.595 421 3HG2 THR 39 2HG2 THR 39 3.991 4.287 -6.671 422 QG2 THR 39 QG2 THR 39 4.269 4.914 -7.429 423 H LYS 40 HN LYS 40 3.837 7.563 -9.482 424 HA LYS 40 HA LYS 40 1.275 9.016 -9.237 425 1HB LYS 40 2HB LYS 40 2.301 9.967 -10.979 426 2HB LYS 40 3HB LYS 40 3.353 8.600 -11.326 427 1HG LYS 40 2HG LYS 40 1.810 7.491 -12.639 428 2HG LYS 40 3HG LYS 40 0.432 8.377 -11.965 429 1HD LYS 40 2HD LYS 40 2.626 9.782 -13.519 430 2HD LYS 40 3HD LYS 40 1.351 8.952 -14.399 431 1HE LYS 40 2HE LYS 40 0.639 10.987 -12.235 432 2HE LYS 40 3HE LYS 40 1.127 11.528 -13.843 433 1HZ LYS 40 1HZ LYS 40 -0.656 10.259 -14.784 434 2HZ LYS 40 2HZ LYS 40 -1.134 9.734 -13.295 435 3HZ LYS 40 3HZ LYS 40 -1.228 11.330 -13.680 436 QB LYS 40 QB LYS 40 2.827 9.284 -11.152 437 QG LYS 40 QG LYS 40 1.121 7.935 -12.302 438 QD LYS 40 QD LYS 40 1.989 9.367 -13.959 439 QE LYS 40 QE LYS 40 0.883 11.258 -13.039 440 QZ LYS 40 QZ LYS 40 -1.006 10.441 -13.920 441 NH1 ARG 41 NH2 ARG 41 -4.077 4.220 -13.770 442 NH2 ARG 41 NH1 ARG 41 -4.210 6.531 -13.806 443 H ARG 41 HN ARG 41 2.583 5.960 -10.683 444 HA ARG 41 HA ARG 41 0.062 4.616 -9.995 445 1HB ARG 41 2HB ARG 41 -0.103 5.797 -12.321 446 2HB ARG 41 3HB ARG 41 1.015 4.557 -12.873 447 1HG ARG 41 2HG ARG 41 -1.125 3.693 -13.366 448 2HG ARG 41 3HG ARG 41 -0.638 2.843 -11.907 449 1HD ARG 41 2HD ARG 41 -2.924 3.515 -11.517 450 2HD ARG 41 3HD ARG 41 -1.980 4.650 -10.588 451 HE ARG 41 HE ARG 41 -2.526 6.382 -11.932 452 1HH1 ARG 41 2HH2 ARG 41 -3.667 3.379 -13.393 453 2HH1 ARG 41 1HH2 ARG 41 -4.781 4.131 -14.489 454 1HH2 ARG 41 2HH1 ARG 41 -3.973 7.431 -13.418 455 2HH2 ARG 41 1HH1 ARG 41 -4.880 6.497 -14.562 456 QB ARG 41 QB ARG 41 0.456 5.177 -12.597 457 QG ARG 41 QG ARG 41 -0.882 3.268 -12.636 458 QD ARG 41 QD ARG 41 -2.452 4.082 -11.053 459 QH1 ARG 41 QH2 ARG 41 -4.225 3.756 -13.941 460 QH2 ARG 41 QH1 ARG 41 -4.426 6.964 -13.990 461 HA PRO 42 HA PRO 42 3.762 2.014 -9.490 462 1HB PRO 42 2HB PRO 42 2.747 0.488 -7.396 463 2HB PRO 42 3HB PRO 42 3.697 1.994 -7.241 464 1HG PRO 42 2HG PRO 42 0.808 1.559 -6.808 465 2HG PRO 42 3HG PRO 42 1.843 2.846 -6.165 466 1HD PRO 42 2HD PRO 42 0.036 3.044 -8.364 467 2HD PRO 42 3HD PRO 42 1.211 4.265 -7.883 468 QB PRO 42 QB PRO 42 3.221 1.241 -7.319 469 QG PRO 42 QG PRO 42 1.325 2.202 -6.487 470 QD PRO 42 QD PRO 42 0.623 3.654 -8.123 471 NH1 ARG 43 NH2 ARG 43 6.956 -3.689 -13.518 472 NH2 ARG 43 NH1 ARG 43 7.525 -3.434 -15.751 473 H ARG 43 HN ARG 43 4.076 0.149 -10.626 474 HA ARG 43 HA ARG 43 2.073 -1.284 -12.021 475 1HB ARG 43 2HB ARG 43 4.944 -1.756 -11.234 476 2HB ARG 43 3HB ARG 43 4.006 -3.193 -11.570 477 1HG ARG 43 2HG ARG 43 3.501 -1.216 -13.673 478 2HG ARG 43 3HG ARG 43 5.222 -1.389 -13.417 479 1HD ARG 43 2HD ARG 43 4.267 -4.096 -13.472 480 2HD ARG 43 3HD ARG 43 3.261 -3.250 -14.618 481 HE ARG 43 HE ARG 43 5.035 -3.111 -16.051 482 1HH1 ARG 43 2HH2 ARG 43 6.242 -3.693 -12.805 483 2HH1 ARG 43 1HH2 ARG 43 7.913 -3.866 -13.249 484 1HH2 ARG 43 2HH1 ARG 43 7.263 -3.254 -16.710 485 2HH2 ARG 43 1HH1 ARG 43 8.502 -3.578 -15.541 486 QB ARG 43 QB ARG 43 4.475 -2.475 -11.403 487 QG ARG 43 QG ARG 43 4.362 -1.302 -13.545 488 QD ARG 43 QD ARG 43 3.765 -3.672 -14.045 489 QH1 ARG 43 QH2 ARG 43 7.077 -3.780 -13.027 490 QH2 ARG 43 QH1 ARG 43 7.883 -3.416 -16.126 491 H PHE 44 HN PHE 44 3.298 -1.662 -8.739 492 HA PHE 44 HA PHE 44 1.798 -4.120 -8.302 493 1HB PHE 44 2HB PHE 44 2.717 -3.899 -6.044 494 2HB PHE 44 3HB PHE 44 3.959 -3.863 -7.259 495 HD1 PHE 44 1HD PHE 44 1.979 -1.694 -4.907 496 HD2 PHE 44 2HD PHE 44 5.500 -2.029 -7.369 497 HE1 PHE 44 1HE PHE 44 2.797 0.454 -4.014 498 HE2 PHE 44 2HE PHE 44 6.297 0.152 -6.511 499 HZ PHE 44 HZ PHE 44 4.945 1.402 -4.823 500 QB PHE 44 QB PHE 44 3.338 -3.881 -6.651 501 QR PHE 44 QR PHE 44 4.143 -0.779 -5.701 502 H LEU 45 HN LEU 45 0.381 -1.323 -8.867 503 HA LEU 45 HA LEU 45 -1.222 -0.775 -6.685 504 1HB LEU 45 2HB LEU 45 -1.456 -0.558 -9.615 505 2HB LEU 45 3HB LEU 45 -3.037 -0.803 -8.867 506 HG LEU 45 HG LEU 45 -1.090 1.222 -7.774 507 1HD1 LEU 45 2HD1 LEU 45 -3.154 1.605 -9.967 508 2HD1 LEU 45 3HD1 LEU 45 -2.269 2.911 -9.118 509 3HD1 LEU 45 1HD1 LEU 45 -1.388 1.738 -10.116 510 1HD2 LEU 45 2HD2 LEU 45 -3.069 0.544 -6.361 511 2HD2 LEU 45 3HD2 LEU 45 -3.055 2.255 -6.831 512 3HD2 LEU 45 1HD2 LEU 45 -4.128 1.116 -7.652 513 QB LEU 45 QB LEU 45 -2.246 -0.681 -9.241 514 QD1 LEU 45 QD1 LEU 45 -2.270 2.084 -9.733 515 QD2 LEU 45 QD2 LEU 45 -3.418 1.305 -6.949 516 QQD LEU 45 QQD LEU 45 -2.844 1.695 -8.341 517 HA PRO 46 HA PRO 46 -4.371 -4.186 -7.524 518 1HB PRO 46 2HB PRO 46 -3.729 -6.368 -9.098 519 2HB PRO 46 3HB PRO 46 -4.564 -4.900 -9.674 520 1HG PRO 46 2HG PRO 46 -1.693 -5.676 -10.037 521 2HG PRO 46 3HG PRO 46 -2.756 -4.756 -11.134 522 1HD PRO 46 2HD PRO 46 -0.833 -3.707 -9.406 523 2HD PRO 46 3HD PRO 46 -2.147 -2.756 -10.126 524 QB PRO 46 QB PRO 46 -4.146 -5.634 -9.387 525 QG PRO 46 QG PRO 46 -2.225 -5.216 -10.586 526 QD PRO 46 QD PRO 46 -1.490 -3.232 -9.766 527 H GLU 47 HN GLU 47 -0.931 -5.212 -7.554 528 HA GLU 47 HA GLU 47 -1.167 -7.406 -5.806 529 1HB GLU 47 2HB GLU 47 1.100 -5.444 -6.237 530 2HB GLU 47 3HB GLU 47 1.215 -6.943 -5.315 531 1HG GLU 47 2HG GLU 47 0.674 -8.290 -7.242 532 2HG GLU 47 3HG GLU 47 0.372 -6.862 -8.247 533 QB GLU 47 QB GLU 47 1.157 -6.193 -5.776 534 QG GLU 47 QG GLU 47 0.523 -7.576 -7.744 535 H LEU 48 HN LEU 48 -0.534 -3.916 -5.001 536 HA LEU 48 HA LEU 48 -0.502 -4.420 -2.186 537 1HB LEU 48 2HB LEU 48 0.569 -2.528 -3.407 538 2HB LEU 48 3HB LEU 48 -0.999 -1.752 -3.575 539 HG LEU 48 HG LEU 48 -0.237 -2.596 -0.791 540 1HD1 LEU 48 1HD1 LEU 48 1.255 -0.338 -2.205 541 2HD1 LEU 48 2HD1 LEU 48 1.292 -0.668 -0.464 542 3HD1 LEU 48 3HD1 LEU 48 1.983 -1.835 -1.596 543 1HD2 LEU 48 1HD2 LEU 48 -2.244 -1.193 -1.286 544 2HD2 LEU 48 2HD2 LEU 48 -1.099 -0.403 -0.192 545 3HD2 LEU 48 3HD2 LEU 48 -1.155 0.080 -1.894 546 QB LEU 48 QB LEU 48 -0.215 -2.140 -3.491 547 QD1 LEU 48 QD1 LEU 48 1.510 -0.947 -1.421 548 QD2 LEU 48 QD2 LEU 48 -1.500 -0.505 -1.124 549 QQD LEU 48 QQD LEU 48 0.006 -0.727 -1.273 550 H ALA 49 HN ALA 49 -3.032 -3.316 -4.437 551 HA ALA 49 HA ALA 49 -5.077 -2.908 -2.542 552 1HB ALA 49 1HB ALA 49 -5.040 -2.425 -5.121 553 2HB ALA 49 2HB ALA 49 -5.668 -4.070 -5.273 554 3HB ALA 49 3HB ALA 49 -6.555 -2.847 -4.341 555 QB ALA 49 QB ALA 49 -5.754 -3.113 -4.911 556 H SER 50 HN SER 50 -4.110 -5.901 -4.268 557 HA SER 50 HA SER 50 -6.124 -7.535 -3.049 558 1HB SER 50 2HB SER 50 -4.990 -9.388 -4.075 559 2HB SER 50 3HB SER 50 -5.014 -8.036 -5.218 560 HG SER 50 HG SER 50 -2.815 -7.590 -4.410 561 QB SER 50 QB SER 50 -5.002 -8.713 -4.647 562 H ALA 51 HN ALA 51 -2.711 -6.909 -2.292 563 HA ALA 51 HA ALA 51 -2.255 -8.807 -0.293 564 1HB ALA 51 3HB ALA 51 -1.137 -5.985 -0.631 565 2HB ALA 51 1HB ALA 51 -0.469 -7.194 0.461 566 3HB ALA 51 2HB ALA 51 -0.455 -7.488 -1.293 567 QB ALA 51 QB ALA 51 -0.687 -6.890 -0.488 568 H LEU 52 HN LEU 52 -3.341 -5.386 0.026 569 HA LEU 52 HA LEU 52 -3.908 -5.759 2.887 570 1HB LEU 52 2HB LEU 52 -4.494 -3.540 0.892 571 2HB LEU 52 3HB LEU 52 -4.953 -3.447 2.593 572 HG LEU 52 HG LEU 52 -2.083 -3.855 1.657 573 1HD1 LEU 52 3HD1 LEU 52 -3.060 -1.674 0.913 574 2HD1 LEU 52 1HD1 LEU 52 -3.412 -1.280 2.604 575 3HD1 LEU 52 2HD1 LEU 52 -1.736 -1.494 2.069 576 1HD2 LEU 52 1HD2 LEU 52 -2.535 -4.618 4.024 577 2HD2 LEU 52 2HD2 LEU 52 -1.505 -3.210 3.966 578 3HD2 LEU 52 3HD2 LEU 52 -3.193 -3.013 4.381 579 QB LEU 52 QB LEU 52 -4.723 -3.493 1.743 580 QD1 LEU 52 QD1 LEU 52 -2.736 -1.482 1.862 581 QD2 LEU 52 QD2 LEU 52 -2.411 -3.614 4.124 582 QQD LEU 52 QQD LEU 52 -2.574 -2.548 2.993 583 H GLY 53 HN GLY 53 -5.783 -5.642 -0.151 584 1HA GLY 53 1HA GLY 53 -7.808 -6.740 -0.543 585 2HA GLY 53 2HA GLY 53 -8.087 -6.954 1.189 586 QA GLY 53 QA GLY 53 -7.947 -6.847 0.323 587 H VAL 54 HN VAL 54 -7.487 -4.348 -1.169 588 HA VAL 54 HA VAL 54 -9.937 -2.899 -0.378 589 HB VAL 54 HB VAL 54 -8.790 -0.728 -0.548 590 1HG1 VAL 54 2HG1 VAL 54 -8.629 -2.463 1.702 591 2HG1 VAL 54 3HG1 VAL 54 -7.076 -1.633 1.568 592 3HG1 VAL 54 1HG1 VAL 54 -8.581 -0.703 1.666 593 1HG2 VAL 54 3HG2 VAL 54 -6.847 -1.327 -1.933 594 2HG2 VAL 54 1HG2 VAL 54 -6.331 -0.546 -0.436 595 3HG2 VAL 54 2HG2 VAL 54 -6.183 -2.301 -0.599 596 QG1 VAL 54 QG1 VAL 54 -8.096 -1.600 1.645 597 QG2 VAL 54 QG2 VAL 54 -6.454 -1.391 -0.989 598 QQG VAL 54 QQG VAL 54 -7.274 -1.495 0.328 599 H SER 55 HN SER 55 -10.328 -1.133 -2.237 600 HA SER 55 HA SER 55 -10.008 -2.522 -4.793 601 1HB SER 55 2HB SER 55 -11.542 -0.527 -5.445 602 2HB SER 55 3HB SER 55 -12.185 -1.792 -4.383 603 HG SER 55 HG SER 55 -12.594 0.329 -3.572 604 QB SER 55 QB SER 55 -11.863 -1.159 -4.914 605 H VAL 56 HN VAL 56 -8.962 -1.663 -6.562 606 HA VAL 56 HA VAL 56 -6.647 -0.033 -6.274 607 HB VAL 56 HB VAL 56 -8.413 -0.677 -8.663 608 1HG1 VAL 56 1HG1 VAL 56 -6.775 1.341 -8.959 609 2HG1 VAL 56 2HG1 VAL 56 -5.513 0.100 -8.946 610 3HG1 VAL 56 3HG1 VAL 56 -6.801 0.048 -10.153 611 1HG2 VAL 56 1HG2 VAL 56 -6.583 -2.299 -7.109 612 2HG2 VAL 56 2HG2 VAL 56 -7.533 -2.747 -8.531 613 3HG2 VAL 56 3HG2 VAL 56 -5.901 -2.094 -8.718 614 QG1 VAL 56 QG1 VAL 56 -6.363 0.497 -9.352 615 QG2 VAL 56 QG2 VAL 56 -6.672 -2.380 -8.119 616 QQG VAL 56 QQG VAL 56 -6.518 -0.942 -8.736 617 H ASP 57 HN ASP 57 -9.998 0.731 -7.353 618 HA ASP 57 HA ASP 57 -9.803 3.391 -8.002 619 1HB ASP 57 2HB ASP 57 -12.092 2.317 -6.304 620 2HB ASP 57 3HB ASP 57 -12.147 3.488 -7.624 621 QB ASP 57 QB ASP 57 -12.120 2.902 -6.964 622 CH2 TRP 58 CH2 TRP 58 -7.383 2.899 2.442 623 H TRP 58 HN TRP 58 -9.913 1.894 -4.787 624 HA TRP 58 HA TRP 58 -10.100 4.450 -3.378 625 1HB TRP 58 2HB TRP 58 -11.128 2.400 -2.482 626 2HB TRP 58 3HB TRP 58 -9.531 1.671 -2.308 627 HD1 TRP 58 HD1 TRP 58 -11.535 4.695 -1.026 628 HE1 TRP 58 HE1 TRP 58 -10.863 5.216 1.357 629 HE3 TRP 58 HE3 TRP 58 -7.523 1.555 -0.693 630 HZ2 TRP 58 HZ2 TRP 58 -8.707 4.414 3.200 631 HZ3 TRP 58 HZ3 TRP 58 -6.064 1.621 1.332 632 HH2 TRP 58 HH2 TRP 58 -6.697 2.968 3.277 633 QB TRP 58 QB TRP 58 -10.330 2.035 -2.395 634 H LEU 59 HN LEU 59 -7.540 1.968 -4.051 635 HA LEU 59 HA LEU 59 -5.509 3.340 -2.639 636 1HB LEU 59 2HB LEU 59 -5.630 1.285 -4.739 637 2HB LEU 59 3HB LEU 59 -4.188 2.274 -4.884 638 HG LEU 59 HG LEU 59 -5.063 1.033 -2.269 639 1HD1 LEU 59 1HD1 LEU 59 -4.393 -0.516 -4.359 640 2HD1 LEU 59 2HD1 LEU 59 -2.762 -0.152 -3.809 641 3HD1 LEU 59 3HD1 LEU 59 -3.931 -0.898 -2.698 642 1HD2 LEU 59 1HD2 LEU 59 -3.341 3.053 -2.497 643 2HD2 LEU 59 2HD2 LEU 59 -2.946 1.688 -1.426 644 3HD2 LEU 59 3HD2 LEU 59 -2.222 1.841 -3.044 645 QB LEU 59 QB LEU 59 -4.909 1.780 -4.811 646 QD1 LEU 59 QD1 LEU 59 -3.695 -0.522 -3.622 647 QD2 LEU 59 QD2 LEU 59 -2.836 2.194 -2.322 648 QQD LEU 59 QQD LEU 59 -3.266 0.836 -2.972 649 H LEU 60 HN LEU 60 -6.795 3.937 -5.843 650 HA LEU 60 HA LEU 60 -5.011 6.091 -6.601 651 1HB LEU 60 2HB LEU 60 -7.626 4.933 -7.561 652 2HB LEU 60 3HB LEU 60 -7.124 6.492 -8.175 653 HG LEU 60 HG LEU 60 -6.558 4.353 -9.487 654 1HD1 LEU 60 2HD1 LEU 60 -5.610 6.785 -9.791 655 2HD1 LEU 60 3HD1 LEU 60 -4.118 6.095 -9.123 656 3HD1 LEU 60 1HD1 LEU 60 -4.842 5.411 -10.592 657 1HD2 LEU 60 2HD2 LEU 60 -5.454 3.086 -7.634 658 2HD2 LEU 60 3HD2 LEU 60 -4.509 3.256 -9.110 659 3HD2 LEU 60 1HD2 LEU 60 -4.109 4.238 -7.692 660 QB LEU 60 QB LEU 60 -7.375 5.712 -7.868 661 QD1 LEU 60 QD1 LEU 60 -4.857 6.097 -9.835 662 QD2 LEU 60 QD2 LEU 60 -4.691 3.526 -8.146 663 QQD LEU 60 QQD LEU 60 -4.773 4.812 -8.990 664 H ASN 61 HN ASN 61 -8.500 6.172 -5.592 665 HA ASN 61 HA ASN 61 -8.365 9.089 -5.277 666 1HB ASN 61 2HB ASN 61 -10.577 7.095 -4.598 667 2HB ASN 61 3HB ASN 61 -10.689 8.848 -4.426 668 1HD2 ASN 61 2HD2 ASN 61 -11.169 7.154 -8.087 669 2HD2 ASN 61 1HD2 ASN 61 -10.671 6.183 -6.699 670 QB ASN 61 QB ASN 61 -10.633 7.971 -4.512 671 QD2 ASN 61 QD2 ASN 61 -10.920 6.669 -7.393 672 H GLY 62 HN GLY 62 -9.044 6.361 -3.051 673 1HA GLY 62 1HA GLY 62 -8.474 6.069 -0.879 674 2HA GLY 62 2HA GLY 62 -7.418 7.478 -1.054 675 QA GLY 62 QA GLY 62 -7.947 6.774 -0.967 676 H THR 63 HN THR 63 -10.891 6.820 -1.079 677 HA THR 63 HA THR 63 -11.354 8.651 1.227 678 HB THR 63 HB THR 63 -13.368 9.312 -0.035 679 HG1 THR 63 1HG THR 63 -13.261 7.549 -1.516 680 1HG2 THR 63 1HG2 THR 63 -11.297 10.764 0.020 681 2HG2 THR 63 2HG2 THR 63 -10.726 9.981 -1.467 682 3HG2 THR 63 3HG2 THR 63 -12.195 10.962 -1.500 683 QG2 THR 63 QG2 THR 63 -11.407 10.569 -0.982 684 H SER 64 HN SER 64 -11.935 7.236 2.722 685 HA SER 64 HA SER 64 -14.108 5.257 2.252 686 1HB SER 64 2HB SER 64 -12.100 5.445 4.559 687 2HB SER 64 3HB SER 64 -13.373 4.235 4.372 688 HG SER 64 HG SER 64 -11.387 3.429 3.610 689 QB SER 64 QB SER 64 -12.737 4.839 4.465 690 H ASP 65 HN ASP 65 -15.570 5.246 4.201 691 HA ASP 65 HA ASP 65 -17.224 6.477 5.258 692 1HB ASP 65 2HB ASP 65 -16.467 6.905 7.533 693 2HB ASP 65 3HB ASP 65 -15.935 5.341 6.915 694 QB ASP 65 QB ASP 65 -16.201 6.123 7.224 695 H SER 66 HN SER 66 -17.591 8.152 3.687 696 HA SER 66 HA SER 66 -16.482 10.698 3.671 697 1HB SER 66 2HB SER 66 -19.386 9.848 3.315 698 2HB SER 66 3HB SER 66 -18.740 11.433 2.874 699 HG SER 66 HG SER 66 -17.356 10.417 1.406 700 QB SER 66 QB SER 66 -19.063 10.641 3.094 701 H ASN 67 HN ASN 67 -15.880 11.200 5.808 702 HA ASN 67 HA ASN 67 -17.365 11.576 8.044 703 1HB ASN 67 2HB ASN 67 -15.324 13.554 6.946 704 2HB ASN 67 3HB ASN 67 -15.854 13.469 8.631 705 1HD2 ASN 67 2HD2 ASN 67 -14.117 10.314 9.223 706 2HD2 ASN 67 1HD2 ASN 67 -15.489 11.265 9.764 707 QB ASN 67 QB ASN 67 -15.589 13.511 7.789 708 QD2 ASN 67 QD2 ASN 67 -14.803 10.790 9.493 709 H VAL 68 HN VAL 68 -17.513 13.540 5.164 710 HA VAL 68 HA VAL 68 -19.010 14.961 4.307 711 HB VAL 68 HB VAL 68 -20.719 14.290 6.733 712 1HG1 VAL 68 3HG1 VAL 68 -21.378 16.050 4.352 713 2HG1 VAL 68 1HG1 VAL 68 -22.563 15.382 5.497 714 3HG1 VAL 68 2HG1 VAL 68 -21.344 16.529 6.063 715 1HG2 VAL 68 3HG2 VAL 68 -20.165 12.742 4.513 716 2HG2 VAL 68 1HG2 VAL 68 -21.673 12.679 5.440 717 3HG2 VAL 68 2HG2 VAL 68 -21.570 13.645 3.954 718 QG1 VAL 68 QG1 VAL 68 -21.762 15.987 5.304 719 QG2 VAL 68 QG2 VAL 68 -21.136 13.022 4.635 720 QQG VAL 68 QQG VAL 68 -21.448 14.505 4.970 721 NH1 ARG 69 NH2 ARG 69 -15.569 21.850 5.234 722 NH2 ARG 69 NH1 ARG 69 -15.354 23.630 6.670 723 H ARG 69 HN ARG 69 -18.601 17.126 4.130 724 HA ARG 69 HA ARG 69 -18.694 18.821 6.367 725 1HB ARG 69 2HB ARG 69 -16.343 17.432 6.525 726 2HB ARG 69 3HB ARG 69 -15.841 18.632 5.360 727 1HG ARG 69 2HG ARG 69 -17.175 20.208 7.193 728 2HG ARG 69 3HG ARG 69 -16.718 18.869 8.236 729 1HD ARG 69 2HD ARG 69 -14.606 19.638 8.369 730 2HD ARG 69 3HD ARG 69 -14.403 19.700 6.630 731 HE ARG 69 HE ARG 69 -14.995 21.876 8.431 732 1HH1 ARG 69 2HH2 ARG 69 -15.962 20.907 5.089 733 2HH1 ARG 69 1HH2 ARG 69 -15.694 22.459 4.438 734 1HH2 ARG 69 2HH1 ARG 69 -15.211 24.008 7.596 735 2HH2 ARG 69 1HH1 ARG 69 -15.549 24.252 5.899 736 QB ARG 69 QB ARG 69 -16.092 18.032 5.942 737 QG ARG 69 QG ARG 69 -16.946 19.538 7.714 738 QD ARG 69 QD ARG 69 -14.505 19.669 7.500 739 QH1 ARG 69 QH2 ARG 69 -15.827 21.683 4.763 740 QH2 ARG 69 QH1 ARG 69 -15.381 24.130 6.747 Start of MODEL 8 Raw file had 740 H/Q atoms Start of MODEL 8 1 H SER 1 HN SER 1 -0.562 11.504 1.080 2 HA SER 1 HA SER 1 -1.195 10.851 3.217 3 1HB SER 1 2HB SER 1 -4.099 11.022 2.440 4 2HB SER 1 3HB SER 1 -3.316 11.134 4.040 5 HG SER 1 HG SER 1 -3.701 13.293 3.393 6 QB SER 1 QB SER 1 -3.708 11.078 3.240 7 H ILE 2 HN ILE 2 -1.509 9.422 0.329 8 HA ILE 2 HA ILE 2 -2.977 7.077 0.782 9 HB ILE 2 HB ILE 2 -0.336 6.949 -0.693 10 1HG1 ILE 2 2HG1 ILE 2 -2.077 7.521 -2.697 11 2HG1 ILE 2 3HG1 ILE 2 -2.795 8.514 -1.430 12 1HG2 ILE 2 3HG2 ILE 2 -3.050 5.607 -1.054 13 2HG2 ILE 2 1HG2 ILE 2 -1.630 5.351 -2.086 14 3HG2 ILE 2 2HG2 ILE 2 -1.577 4.867 -0.394 15 1HD1 ILE 2 1HD1 ILE 2 -0.252 9.344 -1.108 16 2HD1 ILE 2 2HD1 ILE 2 -0.046 8.638 -2.713 17 3HD1 ILE 2 3HD1 ILE 2 -1.214 9.953 -2.467 18 QG1 ILE 2 QG1 ILE 2 -2.435 8.017 -2.064 19 QG2 ILE 2 QG2 ILE 2 -2.086 5.275 -1.178 20 QD1 ILE 2 QD1 ILE 2 -0.504 9.312 -2.096 21 H SER 3 HN SER 3 0.154 8.061 2.035 22 HA SER 3 HA SER 3 1.096 5.803 3.367 23 1HB SER 3 2HB SER 3 2.146 8.037 3.404 24 2HB SER 3 3HB SER 3 0.915 8.653 4.490 25 HG SER 3 HG SER 3 3.097 7.578 5.229 26 QB SER 3 QB SER 3 1.531 8.345 3.947 27 H SER 4 HN SER 4 -1.166 8.228 4.885 28 HA SER 4 HA SER 4 -1.610 6.587 7.122 29 1HB SER 4 2HB SER 4 -3.724 8.140 7.291 30 2HB SER 4 3HB SER 4 -2.101 8.830 7.433 31 HG SER 4 HG SER 4 -3.281 8.688 4.880 32 QB SER 4 QB SER 4 -2.913 8.485 7.363 33 NH1 ARG 5 NH2 ARG 5 -6.155 9.971 0.976 34 NH2 ARG 5 NH1 ARG 5 -5.563 9.342 -1.163 35 H ARG 5 HN ARG 5 -3.215 6.598 3.948 36 HA ARG 5 HA ARG 5 -5.481 5.028 4.840 37 1HB ARG 5 2HB ARG 5 -4.441 5.247 1.991 38 2HB ARG 5 3HB ARG 5 -6.019 4.809 2.556 39 1HG ARG 5 2HG ARG 5 -6.252 7.001 3.736 40 2HG ARG 5 3HG ARG 5 -4.847 7.582 2.840 41 1HD ARG 5 2HD ARG 5 -7.135 6.295 1.356 42 2HD ARG 5 3HD ARG 5 -7.346 7.901 1.990 43 HE ARG 5 HE ARG 5 -5.539 7.023 -0.188 44 1HH1 ARG 5 2HH2 ARG 5 -6.452 9.693 1.899 45 2HH1 ARG 5 1HH2 ARG 5 -6.335 10.918 0.678 46 1HH2 ARG 5 2HH1 ARG 5 -5.990 8.726 -1.855 47 2HH2 ARG 5 1HH1 ARG 5 -5.575 10.311 -1.433 48 QB ARG 5 QB ARG 5 -5.230 5.029 2.273 49 QG ARG 5 QG ARG 5 -5.549 7.291 3.288 50 QD ARG 5 QD ARG 5 -7.241 7.098 1.674 51 QH1 ARG 5 QH2 ARG 5 -6.393 10.305 1.288 52 QH2 ARG 5 QH1 ARG 5 -5.782 9.518 -1.644 53 H VAL 6 HN VAL 6 -2.616 4.119 2.870 54 HA VAL 6 HA VAL 6 -2.978 1.308 2.908 55 HB VAL 6 HB VAL 6 -0.583 3.162 2.603 56 1HG1 VAL 6 2HG1 VAL 6 -0.549 0.134 2.400 57 2HG1 VAL 6 3HG1 VAL 6 0.691 1.209 1.728 58 3HG1 VAL 6 1HG1 VAL 6 0.435 1.153 3.473 59 1HG2 VAL 6 1HG2 VAL 6 -2.391 3.013 0.814 60 2HG2 VAL 6 2HG2 VAL 6 -0.774 2.529 0.255 61 3HG2 VAL 6 3HG2 VAL 6 -1.993 1.303 0.655 62 QG1 VAL 6 QG1 VAL 6 0.192 0.832 2.533 63 QG2 VAL 6 QG2 VAL 6 -1.719 2.282 0.575 64 QQG VAL 6 QQG VAL 6 -0.763 1.557 1.554 65 H LYS 7 HN LYS 7 -0.888 3.354 4.991 66 HA LYS 7 HA LYS 7 -0.014 1.408 6.720 67 1HB LYS 7 2HB LYS 7 0.729 3.811 6.489 68 2HB LYS 7 3HB LYS 7 -0.641 4.280 7.505 69 1HG LYS 7 2HG LYS 7 0.758 2.155 8.831 70 2HG LYS 7 3HG LYS 7 1.989 3.262 8.171 71 1HD LYS 7 2HD LYS 7 0.760 5.166 9.281 72 2HD LYS 7 3HD LYS 7 -0.326 3.964 10.010 73 1HE LYS 7 2HE LYS 7 2.064 2.890 10.778 74 2HE LYS 7 3HE LYS 7 2.602 4.553 10.555 75 1HZ LYS 7 1HZ LYS 7 0.863 5.216 12.123 76 2HZ LYS 7 2HZ LYS 7 0.430 3.640 12.335 77 3HZ LYS 7 3HZ LYS 7 1.920 4.152 12.799 78 QB LYS 7 QB LYS 7 0.045 4.046 6.998 79 QG LYS 7 QG LYS 7 1.374 2.709 8.501 80 QD LYS 7 QD LYS 7 0.216 4.565 9.646 81 QE LYS 7 QE LYS 7 2.333 3.722 10.667 82 QZ LYS 7 QZ LYS 7 1.071 4.335 12.420 83 H SER 8 HN SER 8 -2.925 3.543 7.250 84 HA SER 8 HA SER 8 -3.740 2.479 9.711 85 1HB SER 8 2HB SER 8 -4.762 4.483 8.722 86 2HB SER 8 3HB SER 8 -5.467 3.503 7.414 87 HG SER 8 HG SER 8 -6.041 3.300 10.196 88 QB SER 8 QB SER 8 -5.115 3.993 8.068 89 H LYS 9 HN LYS 9 -4.499 1.297 6.355 90 HA LYS 9 HA LYS 9 -6.319 -0.646 7.374 91 1HB LYS 9 2HB LYS 9 -5.686 0.463 4.904 92 2HB LYS 9 3HB LYS 9 -5.045 -1.153 4.743 93 1HG LYS 9 2HG LYS 9 -7.839 -0.696 5.803 94 2HG LYS 9 3HG LYS 9 -7.541 -0.506 4.083 95 1HD LYS 9 2HD LYS 9 -6.906 -2.710 3.746 96 2HD LYS 9 3HD LYS 9 -6.561 -3.010 5.449 97 1HE LYS 9 2HE LYS 9 -8.620 -3.718 5.889 98 2HE LYS 9 3HE LYS 9 -9.379 -2.301 5.151 99 1HZ LYS 9 3HZ LYS 9 -8.388 -4.555 3.525 100 2HZ LYS 9 1HZ LYS 9 -9.934 -4.461 4.121 101 3HZ LYS 9 2HZ LYS 9 -9.396 -3.359 3.062 102 QB LYS 9 QB LYS 9 -5.365 -0.344 4.823 103 QG LYS 9 QG LYS 9 -7.690 -0.602 4.943 104 QD LYS 9 QD LYS 9 -6.733 -2.860 4.598 105 QE LYS 9 QE LYS 9 -8.999 -3.010 5.520 106 QZ LYS 9 QZ LYS 9 -9.239 -4.125 3.569 107 NH1 ARG 10 NH2 ARG 10 1.928 -1.296 9.317 108 NH2 ARG 10 NH1 ARG 10 2.776 0.614 8.329 109 H ARG 10 HN ARG 10 -2.862 -0.540 6.730 110 HA ARG 10 HA ARG 10 -2.242 -3.292 6.991 111 1HB ARG 10 2HB ARG 10 -0.828 -0.864 6.560 112 2HB ARG 10 3HB ARG 10 -0.251 -1.438 8.108 113 1HG ARG 10 2HG ARG 10 -0.069 -3.738 6.576 114 2HG ARG 10 3HG ARG 10 0.047 -2.475 5.351 115 1HD ARG 10 2HD ARG 10 1.940 -3.208 7.503 116 2HD ARG 10 3HD ARG 10 2.253 -2.862 5.832 117 HE ARG 10 HE ARG 10 2.574 -0.671 6.211 118 1HH1 ARG 10 2HH2 ARG 10 1.565 -2.252 9.258 119 2HH1 ARG 10 1HH2 ARG 10 1.994 -0.895 10.239 120 1HH2 ARG 10 2HH1 ARG 10 2.962 1.166 7.500 121 2HH2 ARG 10 1HH1 ARG 10 3.037 0.990 9.227 122 QB ARG 10 QB ARG 10 -0.539 -1.151 7.334 123 QG ARG 10 QG ARG 10 -0.011 -3.107 5.963 124 QD ARG 10 QD ARG 10 2.097 -3.035 6.668 125 QH1 ARG 10 QH2 ARG 10 1.779 -1.573 9.748 126 QH2 ARG 10 QH1 ARG 10 2.999 1.078 8.363 127 H ILE 11 HN ILE 11 -2.399 -0.635 9.355 128 HA ILE 11 HA ILE 11 -1.610 -2.107 11.675 129 HB ILE 11 HB ILE 11 -3.250 0.421 11.291 130 1HG1 ILE 11 2HG1 ILE 11 -1.426 1.227 12.859 131 2HG1 ILE 11 3HG1 ILE 11 -0.605 -0.320 12.629 132 1HG2 ILE 11 1HG2 ILE 11 -2.773 -1.043 13.920 133 2HG2 ILE 11 2HG2 ILE 11 -3.341 0.632 13.777 134 3HG2 ILE 11 3HG2 ILE 11 -4.356 -0.671 13.198 135 1HD1 ILE 11 2HD1 ILE 11 -1.274 1.747 10.504 136 2HD1 ILE 11 3HD1 ILE 11 0.319 1.478 11.237 137 3HD1 ILE 11 1HD1 ILE 11 -0.376 0.217 10.214 138 QG1 ILE 11 QG1 ILE 11 -1.016 0.453 12.743 139 QG2 ILE 11 QG2 ILE 11 -3.490 -0.361 13.632 140 QD1 ILE 11 QD1 ILE 11 -0.444 1.147 10.652 141 H GLN 12 HN GLN 12 -4.910 -1.353 10.434 142 HA GLN 12 HA GLN 12 -6.182 -2.904 12.392 143 1HB GLN 12 2HB GLN 12 -8.168 -2.798 11.289 144 2HB GLN 12 3HB GLN 12 -7.336 -1.334 10.753 145 1HG GLN 12 2HG GLN 12 -7.075 -2.173 8.583 146 2HG GLN 12 3HG GLN 12 -7.344 -3.853 9.028 147 1HE2 GLN 12 2HE2 GLN 12 -10.742 -3.694 8.287 148 2HE2 GLN 12 1HE2 GLN 12 -9.296 -4.671 8.504 149 QB GLN 12 QB GLN 12 -7.752 -2.066 11.022 150 QG GLN 12 QG GLN 12 -7.209 -3.013 8.805 151 QE2 GLN 12 QE2 GLN 12 -10.019 -4.182 8.396 152 H LEU 13 HN LEU 13 -4.881 -4.014 9.285 153 HA LEU 13 HA LEU 13 -5.640 -6.779 9.563 154 1HB LEU 13 2HB LEU 13 -3.802 -5.126 7.885 155 2HB LEU 13 3HB LEU 13 -3.317 -6.798 8.093 156 HG LEU 13 HG LEU 13 -6.204 -6.305 7.422 157 1HD1 LEU 13 1HD1 LEU 13 -3.920 -5.956 5.451 158 2HD1 LEU 13 2HD1 LEU 13 -5.614 -6.258 4.983 159 3HD1 LEU 13 3HD1 LEU 13 -5.196 -4.803 5.908 160 1HD2 LEU 13 1HD2 LEU 13 -4.728 -8.590 7.747 161 2HD2 LEU 13 2HD2 LEU 13 -6.138 -8.477 6.679 162 3HD2 LEU 13 3HD2 LEU 13 -4.501 -8.321 6.007 163 QB LEU 13 QB LEU 13 -3.560 -5.962 7.989 164 QD1 LEU 13 QD1 LEU 13 -4.910 -5.672 5.447 165 QD2 LEU 13 QD2 LEU 13 -5.123 -8.463 6.811 166 QQD LEU 13 QQD LEU 13 -5.016 -7.068 6.129 167 H GLY 14 HN GLY 14 -2.900 -4.911 10.821 168 1HA GLY 14 1HA GLY 14 -1.629 -5.439 12.685 169 2HA GLY 14 2HA GLY 14 -2.237 -7.100 12.679 170 QA GLY 14 QA GLY 14 -1.933 -6.270 12.682 171 H LEU 15 HN LEU 15 -0.721 -5.183 10.049 172 HA LEU 15 HA LEU 15 1.606 -7.089 9.976 173 1HB LEU 15 2HB LEU 15 -0.013 -5.927 7.690 174 2HB LEU 15 3HB LEU 15 1.488 -6.821 7.466 175 HG LEU 15 HG LEU 15 -0.846 -8.113 8.923 176 1HD1 LEU 15 2HD1 LEU 15 -1.699 -7.204 6.748 177 2HD1 LEU 15 3HD1 LEU 15 -0.445 -8.105 5.908 178 3HD1 LEU 15 1HD1 LEU 15 -1.703 -8.975 6.830 179 1HD2 LEU 15 1HD2 LEU 15 1.482 -9.228 8.787 180 2HD2 LEU 15 2HD2 LEU 15 0.104 -10.180 8.201 181 3HD2 LEU 15 3HD2 LEU 15 1.175 -9.393 7.046 182 QB LEU 15 QB LEU 15 0.737 -6.373 7.578 183 QD1 LEU 15 QD1 LEU 15 -1.282 -8.094 6.495 184 QD2 LEU 15 QD2 LEU 15 0.920 -9.600 8.011 185 QQD LEU 15 QQD LEU 15 -0.180 -8.847 7.253 186 H ASN 16 HN ASN 16 3.569 -6.095 9.084 187 HA ASN 16 HA ASN 16 3.707 -3.140 9.430 188 1HB ASN 16 2HB ASN 16 6.084 -3.393 9.698 189 2HB ASN 16 3HB ASN 16 5.196 -4.326 10.903 190 1HD2 ASN 16 2HD2 ASN 16 7.907 -6.551 9.726 191 2HD2 ASN 16 1HD2 ASN 16 7.802 -5.063 10.647 192 QB ASN 16 QB ASN 16 5.640 -3.859 10.301 193 QD2 ASN 16 QD2 ASN 16 7.854 -5.808 10.186 194 H GLN 17 HN GLN 17 5.335 -2.095 7.902 195 HA GLN 17 HA GLN 17 4.424 -2.367 5.211 196 1HB GLN 17 2HB GLN 17 6.839 -1.058 6.429 197 2HB GLN 17 3HB GLN 17 6.512 -0.995 4.684 198 1HG GLN 17 2HG GLN 17 4.493 0.285 5.053 199 2HG GLN 17 3HG GLN 17 4.618 -0.017 6.792 200 1HE2 GLN 17 2HE2 GLN 17 6.710 3.108 5.243 201 2HE2 GLN 17 1HE2 GLN 17 5.445 2.272 4.351 202 QB GLN 17 QB GLN 17 6.675 -1.027 5.557 203 QG GLN 17 QG GLN 17 4.555 0.134 5.923 204 QE2 GLN 17 QE2 GLN 17 6.077 2.690 4.797 205 H ALA 18 HN ALA 18 7.040 -4.016 6.947 206 HA ALA 18 HA ALA 18 8.374 -5.055 4.637 207 1HB ALA 18 1HB ALA 18 9.310 -4.914 6.973 208 2HB ALA 18 2HB ALA 18 8.267 -6.287 7.408 209 3HB ALA 18 3HB ALA 18 9.521 -6.483 6.169 210 QB ALA 18 QB ALA 18 9.033 -5.895 6.851 211 H GLU 19 HN GLU 19 5.890 -6.514 6.830 212 HA GLU 19 HA GLU 19 5.470 -8.937 5.435 213 1HB GLU 19 2HB GLU 19 3.796 -7.217 7.254 214 2HB GLU 19 3HB GLU 19 3.109 -8.620 6.448 215 1HG GLU 19 2HG GLU 19 5.702 -8.888 8.004 216 2HG GLU 19 3HG GLU 19 4.130 -8.973 8.810 217 QB GLU 19 QB GLU 19 3.452 -7.919 6.850 218 QG GLU 19 QG GLU 19 4.916 -8.930 8.407 219 H LEU 20 HN LEU 20 4.003 -5.695 5.101 220 HA LEU 20 HA LEU 20 2.202 -6.465 3.028 221 1HB LEU 20 2HB LEU 20 2.148 -4.372 4.405 222 2HB LEU 20 3HB LEU 20 3.410 -3.707 3.339 223 HG LEU 20 HG LEU 20 1.668 -4.480 1.444 224 1HD1 LEU 20 2HD1 LEU 20 0.206 -5.524 3.374 225 2HD1 LEU 20 3HD1 LEU 20 -0.302 -3.861 3.654 226 3HD1 LEU 20 1HD1 LEU 20 -0.579 -4.624 2.078 227 1HD2 LEU 20 1HD2 LEU 20 1.595 -2.006 3.192 228 2HD2 LEU 20 2HD2 LEU 20 2.233 -2.213 1.543 229 3HD2 LEU 20 3HD2 LEU 20 0.482 -2.195 1.826 230 QB LEU 20 QB LEU 20 2.778 -4.039 3.873 231 QD1 LEU 20 QD1 LEU 20 -0.224 -4.670 3.036 232 QD2 LEU 20 QD2 LEU 20 1.437 -2.138 2.187 233 QQD LEU 20 QQD LEU 20 0.606 -3.404 2.612 234 H ALA 21 HN ALA 21 5.477 -4.956 2.810 235 HA ALA 21 HA ALA 21 5.720 -4.907 0.037 236 1HB ALA 21 3HB ALA 21 7.812 -5.389 2.193 237 2HB ALA 21 1HB ALA 21 8.178 -5.113 0.481 238 3HB ALA 21 2HB ALA 21 7.342 -3.860 1.425 239 QB ALA 21 QB ALA 21 7.777 -4.787 1.366 240 H GLN 22 HN GLN 22 6.651 -7.633 2.250 241 HA GLN 22 HA GLN 22 7.453 -9.252 0.029 242 1HB GLN 22 2HB GLN 22 7.650 -11.103 1.509 243 2HB GLN 22 3HB GLN 22 8.288 -9.637 2.267 244 1HG GLN 22 2HG GLN 22 6.066 -9.423 3.433 245 2HG GLN 22 3HG GLN 22 5.654 -11.051 2.884 246 1HE2 GLN 22 2HE2 GLN 22 8.306 -10.438 5.953 247 2HE2 GLN 22 1HE2 GLN 22 7.740 -9.091 4.961 248 QB GLN 22 QB GLN 22 7.970 -10.370 1.888 249 QG GLN 22 QG GLN 22 5.860 -10.238 3.159 250 QE2 GLN 22 QE2 GLN 22 8.023 -9.765 5.457 251 H LYS 23 HN LYS 23 4.257 -9.103 1.775 252 HA LYS 23 HA LYS 23 3.186 -11.184 0.115 253 1HB LYS 23 2HB LYS 23 1.238 -10.996 1.243 254 2HB LYS 23 3HB LYS 23 2.373 -10.332 2.419 255 1HG LYS 23 2HG LYS 23 1.704 -8.033 1.323 256 2HG LYS 23 3HG LYS 23 0.320 -8.917 0.689 257 1HD LYS 23 2HD LYS 23 1.122 -8.564 3.624 258 2HD LYS 23 3HD LYS 23 -0.153 -7.692 2.774 259 1HE LYS 23 2HE LYS 23 -1.635 -9.164 3.450 260 2HE LYS 23 3HE LYS 23 -0.905 -10.361 2.381 261 1HZ LYS 23 3HZ LYS 23 0.144 -9.951 5.085 262 2HZ LYS 23 1HZ LYS 23 -1.155 -10.916 4.803 263 3HZ LYS 23 2HZ LYS 23 0.299 -11.261 4.107 264 QB LYS 23 QB LYS 23 1.806 -10.664 1.831 265 QG LYS 23 QG LYS 23 1.012 -8.475 1.007 266 QD LYS 23 QD LYS 23 0.485 -8.128 3.199 267 QE LYS 23 QE LYS 23 -1.269 -9.762 2.916 268 QZ LYS 23 QZ LYS 23 -0.238 -10.709 4.665 269 H VAL 24 HN VAL 24 3.576 -7.746 -0.403 270 HA VAL 24 HA VAL 24 1.949 -7.561 -2.809 271 HB VAL 24 HB VAL 24 4.122 -5.845 -1.546 272 1HG1 VAL 24 1HG1 VAL 24 2.583 -5.281 -4.094 273 2HG1 VAL 24 2HG1 VAL 24 3.539 -4.084 -3.203 274 3HG1 VAL 24 3HG1 VAL 24 4.342 -5.458 -3.969 275 1HG2 VAL 24 2HG2 VAL 24 1.750 -5.889 -0.565 276 2HG2 VAL 24 3HG2 VAL 24 2.346 -4.302 -1.087 277 3HG2 VAL 24 1HG2 VAL 24 1.214 -5.219 -2.105 278 QG1 VAL 24 QG1 VAL 24 3.489 -4.941 -3.755 279 QG2 VAL 24 QG2 VAL 24 1.770 -5.137 -1.252 280 QQG VAL 24 QQG VAL 24 2.628 -5.039 -2.504 281 H GLY 25 HN GLY 25 5.184 -8.757 -2.019 282 1HA GLY 25 1HA GLY 25 6.714 -9.810 -3.383 283 2HA GLY 25 2HA GLY 25 5.648 -9.602 -4.783 284 QA GLY 25 QA GLY 25 6.182 -9.706 -4.083 285 H THR 26 HN THR 26 6.896 -7.161 -2.479 286 HA THR 26 HA THR 26 8.899 -6.218 -4.393 287 HB THR 26 HB THR 26 6.844 -4.891 -4.908 288 HG1 THR 26 1HG THR 26 7.983 -2.909 -4.816 289 1HG2 THR 26 2HG2 THR 26 6.020 -4.771 -2.473 290 2HG2 THR 26 3HG2 THR 26 7.236 -3.513 -2.216 291 3HG2 THR 26 1HG2 THR 26 5.954 -3.264 -3.410 292 QG2 THR 26 QG2 THR 26 6.403 -3.849 -2.700 293 H THR 27 HN THR 27 9.535 -3.956 -2.947 294 HA THR 27 HA THR 27 10.561 -5.104 -0.360 295 HB THR 27 HB THR 27 12.476 -3.453 -0.823 296 HG1 THR 27 1HG THR 27 11.140 -2.486 -2.647 297 1HG2 THR 27 3HG2 THR 27 12.055 -5.807 -2.725 298 2HG2 THR 27 1HG2 THR 27 13.611 -5.047 -2.336 299 3HG2 THR 27 2HG2 THR 27 12.705 -5.905 -1.074 300 QG2 THR 27 QG2 THR 27 12.790 -5.586 -2.045 301 H GLN 28 HN GLN 28 10.435 -3.857 1.463 302 HA GLN 28 HA GLN 28 8.455 -1.970 1.792 303 1HB GLN 28 2HB GLN 28 9.427 -3.198 3.586 304 2HB GLN 28 3HB GLN 28 10.987 -2.396 3.414 305 1HG GLN 28 2HG GLN 28 8.598 -0.607 3.844 306 2HG GLN 28 3HG GLN 28 9.034 -1.682 5.181 307 1HE2 GLN 28 2HE2 GLN 28 11.226 0.883 6.228 308 2HE2 GLN 28 1HE2 GLN 28 9.778 -0.035 6.605 309 QB GLN 28 QB GLN 28 10.207 -2.797 3.500 310 QG GLN 28 QG GLN 28 8.816 -1.145 4.512 311 QE2 GLN 28 QE2 GLN 28 10.502 0.424 6.417 312 H GLN 29 HN GLN 29 11.789 -1.348 0.735 313 HA GLN 29 HA GLN 29 11.885 1.395 0.864 314 1HB GLN 29 2HB GLN 29 13.433 -0.565 -0.288 315 2HB GLN 29 3HB GLN 29 12.746 0.145 -1.745 316 1HG GLN 29 2HG GLN 29 14.857 1.219 -1.231 317 2HG GLN 29 3HG GLN 29 13.555 2.393 -0.966 318 1HE2 GLN 29 2HE2 GLN 29 14.775 2.987 2.306 319 2HE2 GLN 29 1HE2 GLN 29 14.201 3.661 0.799 320 QB GLN 29 QB GLN 29 13.090 -0.210 -1.017 321 QG GLN 29 QG GLN 29 14.206 1.805 -1.098 322 QE2 GLN 29 QE2 GLN 29 14.488 3.324 1.552 323 H SER 30 HN SER 30 10.184 -0.540 -1.644 324 HA SER 30 HA SER 30 9.402 1.723 -3.236 325 1HB SER 30 2HB SER 30 8.175 -1.058 -3.117 326 2HB SER 30 3HB SER 30 8.026 0.139 -4.420 327 HG SER 30 HG SER 30 10.351 0.010 -4.613 328 QB SER 30 QB SER 30 8.101 -0.460 -3.769 329 H ILE 31 HN ILE 31 8.010 -0.121 -0.563 330 HA ILE 31 HA ILE 31 5.387 1.069 -0.666 331 HB ILE 31 HB ILE 31 6.832 -0.253 1.660 332 1HG1 ILE 31 2HG1 ILE 31 6.773 -1.838 -0.173 333 2HG1 ILE 31 3HG1 ILE 31 5.604 -2.282 1.059 334 1HG2 ILE 31 2HG2 ILE 31 4.008 0.684 1.270 335 2HG2 ILE 31 3HG2 ILE 31 4.313 -0.789 2.217 336 3HG2 ILE 31 1HG2 ILE 31 5.090 0.725 2.681 337 1HD1 ILE 31 3HD1 ILE 31 3.783 -1.248 -0.360 338 2HD1 ILE 31 1HD1 ILE 31 5.004 -0.984 -1.629 339 3HD1 ILE 31 2HD1 ILE 31 4.610 -2.627 -1.107 340 QG1 ILE 31 QG1 ILE 31 6.188 -2.059 0.443 341 QG2 ILE 31 QG2 ILE 31 4.471 0.207 2.056 342 QD1 ILE 31 QD1 ILE 31 4.466 -1.620 -1.032 343 H GLU 32 HN GLU 32 8.324 1.812 1.318 344 HA GLU 32 HA GLU 32 7.315 4.120 2.546 345 1HB GLU 32 2HB GLU 32 9.326 3.150 3.356 346 2HB GLU 32 3HB GLU 32 10.174 3.369 1.818 347 1HG GLU 32 2HG GLU 32 10.256 5.751 2.080 348 2HG GLU 32 3HG GLU 32 9.041 5.734 3.370 349 QB GLU 32 QB GLU 32 9.750 3.260 2.587 350 QG GLU 32 QG GLU 32 9.649 5.742 2.724 351 H GLN 33 HN GLN 33 9.288 4.023 -0.544 352 HA GLN 33 HA GLN 33 9.131 6.818 -0.884 353 1HB GLN 33 2HB GLN 33 9.948 6.569 -3.012 354 2HB GLN 33 3HB GLN 33 10.540 5.113 -2.180 355 1HG GLN 33 2HG GLN 33 8.693 3.840 -3.254 356 2HG GLN 33 3HG GLN 33 8.219 5.281 -4.163 357 1HE2 GLN 33 2HE2 GLN 33 11.170 5.202 -6.267 358 2HE2 GLN 33 1HE2 GLN 33 10.188 6.358 -5.386 359 QB GLN 33 QB GLN 33 10.244 5.842 -2.596 360 QG GLN 33 QG GLN 33 8.457 4.561 -3.708 361 QE2 GLN 33 QE2 GLN 33 10.679 5.781 -5.827 362 H LEU 34 HN LEU 34 6.888 4.312 -1.974 363 HA LEU 34 HA LEU 34 5.039 6.024 -3.294 364 1HB LEU 34 2HB LEU 34 4.990 3.602 -3.564 365 2HB LEU 34 3HB LEU 34 4.584 3.389 -1.857 366 HG LEU 34 HG LEU 34 2.419 4.621 -2.248 367 1HD1 LEU 34 1HD1 LEU 34 3.304 4.429 -5.166 368 2HD1 LEU 34 2HD1 LEU 34 1.661 4.845 -4.626 369 3HD1 LEU 34 3HD1 LEU 34 3.014 5.912 -4.237 370 1HD2 LEU 34 1HD2 LEU 34 2.622 2.137 -2.281 371 2HD2 LEU 34 2HD2 LEU 34 1.305 2.761 -3.292 372 3HD2 LEU 34 3HD2 LEU 34 2.820 2.229 -4.052 373 QB LEU 34 QB LEU 34 4.788 3.495 -2.710 374 QD1 LEU 34 QD1 LEU 34 2.660 5.062 -4.676 375 QD2 LEU 34 QD2 LEU 34 2.249 2.375 -3.208 376 QQD LEU 34 QQD LEU 34 2.454 3.718 -3.942 377 H GLU 35 HN GLU 35 5.065 4.900 0.144 378 HA GLU 35 HA GLU 35 2.792 6.475 0.914 379 1HB GLU 35 2HB GLU 35 4.966 5.075 2.516 380 2HB GLU 35 3HB GLU 35 3.591 5.917 3.238 381 1HG GLU 35 2HG GLU 35 2.023 4.445 1.885 382 2HG GLU 35 3HG GLU 35 3.431 3.531 1.362 383 QB GLU 35 QB GLU 35 4.278 5.495 2.877 384 QG GLU 35 QG GLU 35 2.727 3.988 1.624 385 H ASN 36 HN ASN 36 6.159 7.288 0.480 386 HA ASN 36 HA ASN 36 6.009 9.856 1.776 387 1HB ASN 36 2HB ASN 36 8.038 8.463 0.938 388 2HB ASN 36 3HB ASN 36 7.750 9.242 -0.622 389 1HD2 ASN 36 2HD2 ASN 36 10.316 11.112 1.305 390 2HD2 ASN 36 1HD2 ASN 36 10.137 9.488 0.691 391 QB ASN 36 QB ASN 36 7.894 8.852 0.159 392 QD2 ASN 36 QD2 ASN 36 10.227 10.301 0.998 393 H GLY 37 HN GLY 37 4.284 8.657 -0.925 394 1HA GLY 37 1HA GLY 37 2.654 9.709 -2.108 395 2HA GLY 37 2HA GLY 37 3.069 11.245 -1.338 396 QA GLY 37 QA GLY 37 2.861 10.477 -1.723 397 H LYS 38 HN LYS 38 5.780 9.685 -2.794 398 HA LYS 38 HA LYS 38 5.939 11.689 -4.928 399 1HB LYS 38 2HB LYS 38 7.736 9.554 -3.738 400 2HB LYS 38 3HB LYS 38 8.155 10.336 -5.259 401 1HG LYS 38 2HG LYS 38 9.228 11.367 -3.276 402 2HG LYS 38 3HG LYS 38 8.287 12.487 -4.292 403 1HD LYS 38 2HD LYS 38 6.438 12.461 -2.651 404 2HD LYS 38 3HD LYS 38 7.298 11.193 -1.763 405 1HE LYS 38 2HE LYS 38 7.372 13.303 -0.602 406 2HE LYS 38 3HE LYS 38 9.004 12.781 -1.040 407 1HZ LYS 38 1HZ LYS 38 7.421 14.703 -2.624 408 2HZ LYS 38 2HZ LYS 38 8.438 15.156 -1.414 409 3HZ LYS 38 3HZ LYS 38 9.040 14.397 -2.744 410 QB LYS 38 QB LYS 38 7.945 9.946 -4.499 411 QG LYS 38 QG LYS 38 8.758 11.927 -3.784 412 QD LYS 38 QD LYS 38 6.868 11.827 -2.207 413 QE LYS 38 QE LYS 38 8.189 13.042 -0.821 414 QZ LYS 38 QZ LYS 38 8.299 14.752 -2.260 415 H THR 39 HN THR 39 4.159 8.911 -4.735 416 HA THR 39 HA THR 39 4.029 8.756 -7.638 417 HB THR 39 HB THR 39 4.718 6.372 -5.852 418 HG1 THR 39 1HG THR 39 6.178 8.021 -7.322 419 1HG2 THR 39 1HG2 THR 39 3.958 6.363 -8.807 420 2HG2 THR 39 2HG2 THR 39 4.614 4.995 -7.893 421 3HG2 THR 39 3HG2 THR 39 3.014 5.629 -7.483 422 QG2 THR 39 QG2 THR 39 3.862 5.662 -8.061 423 H LYS 40 HN LYS 40 1.910 8.291 -8.223 424 HA LYS 40 HA LYS 40 -0.022 7.521 -6.060 425 1HB LYS 40 2HB LYS 40 -0.388 9.499 -8.347 426 2HB LYS 40 3HB LYS 40 -1.729 8.664 -7.556 427 1HG LYS 40 2HG LYS 40 -0.632 9.572 -5.317 428 2HG LYS 40 3HG LYS 40 0.150 10.712 -6.398 429 1HD LYS 40 2HD LYS 40 -1.712 11.968 -6.403 430 2HD LYS 40 3HD LYS 40 -2.597 10.703 -7.234 431 1HE LYS 40 2HE LYS 40 -2.270 10.995 -4.216 432 2HE LYS 40 3HE LYS 40 -3.700 11.488 -5.117 433 1HZ LYS 40 1HZ LYS 40 -2.784 8.685 -5.137 434 2HZ LYS 40 2HZ LYS 40 -3.780 9.265 -3.975 435 3HZ LYS 40 3HZ LYS 40 -4.294 9.233 -5.503 436 QB LYS 40 QB LYS 40 -1.059 9.081 -7.952 437 QG LYS 40 QG LYS 40 -0.241 10.142 -5.858 438 QD LYS 40 QD LYS 40 -2.155 11.335 -6.819 439 QE LYS 40 QE LYS 40 -2.985 11.242 -4.667 440 QZ LYS 40 QZ LYS 40 -3.619 9.062 -4.872 441 NH1 ARG 41 NH2 ARG 41 -4.981 6.668 -13.300 442 NH2 ARG 41 NH1 ARG 41 -4.875 5.243 -15.119 443 H ARG 41 HN ARG 41 1.304 6.777 -9.206 444 HA ARG 41 HA ARG 41 -0.737 4.639 -9.464 445 1HB ARG 41 2HB ARG 41 -0.718 6.735 -11.086 446 2HB ARG 41 3HB ARG 41 0.669 5.968 -11.812 447 1HG ARG 41 2HG ARG 41 -0.758 4.908 -13.142 448 2HG ARG 41 3HG ARG 41 -1.199 3.876 -11.778 449 1HD ARG 41 2HD ARG 41 -3.125 5.199 -11.284 450 2HD ARG 41 3HD ARG 41 -2.531 6.577 -12.244 451 HE ARG 41 HE ARG 41 -2.950 4.214 -13.856 452 1HH1 ARG 41 2HH2 ARG 41 -4.634 6.956 -12.398 453 2HH1 ARG 41 1HH2 ARG 41 -5.779 7.150 -13.687 454 1HH2 ARG 41 2HH1 ARG 41 -4.433 4.488 -15.625 455 2HH2 ARG 41 1HH1 ARG 41 -5.664 5.703 -15.548 456 QB ARG 41 QB ARG 41 -0.024 6.351 -11.449 457 QG ARG 41 QG ARG 41 -0.979 4.392 -12.460 458 QD ARG 41 QD ARG 41 -2.827 5.888 -11.764 459 QH1 ARG 41 QH2 ARG 41 -5.206 7.054 -13.043 460 QH2 ARG 41 QH1 ARG 41 -5.049 5.096 -15.586 461 HA PRO 42 HA PRO 42 3.494 2.849 -9.084 462 1HB PRO 42 2HB PRO 42 2.932 0.950 -7.173 463 2HB PRO 42 3HB PRO 42 3.303 2.637 -6.776 464 1HG PRO 42 2HG PRO 42 0.629 1.281 -7.010 465 2HG PRO 42 3HG PRO 42 1.134 2.437 -5.754 466 1HD PRO 42 2HD PRO 42 -0.404 3.148 -7.928 467 2HD PRO 42 3HD PRO 42 0.703 4.295 -7.202 468 QB PRO 42 QB PRO 42 3.118 1.794 -6.975 469 QG PRO 42 QG PRO 42 0.882 1.859 -6.382 470 QD PRO 42 QD PRO 42 0.150 3.722 -7.565 471 NH1 ARG 43 NH2 ARG 43 9.536 -3.026 -10.089 472 NH2 ARG 43 NH1 ARG 43 8.897 -4.698 -8.612 473 H ARG 43 HN ARG 43 4.232 0.746 -9.761 474 HA ARG 43 HA ARG 43 2.554 -0.573 -11.663 475 1HB ARG 43 2HB ARG 43 4.353 -2.119 -11.951 476 2HB ARG 43 3HB ARG 43 5.068 -0.515 -11.730 477 1HG ARG 43 2HG ARG 43 5.453 -1.118 -9.293 478 2HG ARG 43 3HG ARG 43 4.850 -2.751 -9.670 479 1HD ARG 43 2HD ARG 43 6.714 -2.735 -11.509 480 2HD ARG 43 3HD ARG 43 7.397 -1.419 -10.525 481 HE ARG 43 HE ARG 43 6.591 -3.887 -9.101 482 1HH1 ARG 43 2HH2 ARG 43 9.283 -2.285 -10.723 483 2HH1 ARG 43 1HH2 ARG 43 10.512 -3.259 -9.980 484 1HH2 ARG 43 2HH1 ARG 43 8.179 -5.225 -8.131 485 2HH2 ARG 43 1HH1 ARG 43 9.857 -4.977 -8.469 486 QB ARG 43 QB ARG 43 4.711 -1.317 -11.841 487 QG ARG 43 QG ARG 43 5.151 -1.935 -9.481 488 QD ARG 43 QD ARG 43 7.055 -2.077 -11.018 489 QH1 ARG 43 QH2 ARG 43 9.897 -2.771 -10.351 490 QH2 ARG 43 QH1 ARG 43 9.017 -5.101 -8.300 491 H PHE 44 HN PHE 44 3.252 -1.159 -8.236 492 HA PHE 44 HA PHE 44 1.937 -3.807 -8.318 493 1HB PHE 44 2HB PHE 44 2.676 -3.891 -5.937 494 2HB PHE 44 3HB PHE 44 3.948 -3.801 -7.124 495 HD1 PHE 44 2HD PHE 44 2.175 -1.980 -4.438 496 HD2 PHE 44 1HD PHE 44 5.493 -1.905 -7.171 497 HE1 PHE 44 2HE PHE 44 3.104 -0.022 -3.256 498 HE2 PHE 44 1HE PHE 44 6.287 0.216 -6.153 499 HZ PHE 44 HZ PHE 44 5.131 1.130 -4.144 500 QB PHE 44 QB PHE 44 3.312 -3.846 -6.531 501 QR PHE 44 QR PHE 44 4.265 -0.923 -5.254 502 H LEU 45 HN LEU 45 0.380 -1.332 -8.832 503 HA LEU 45 HA LEU 45 -1.334 -0.710 -6.709 504 1HB LEU 45 2HB LEU 45 -1.240 -0.377 -9.588 505 2HB LEU 45 3HB LEU 45 -2.869 -0.887 -9.171 506 HG LEU 45 HG LEU 45 -1.478 1.347 -7.685 507 1HD1 LEU 45 1HD1 LEU 45 -1.508 1.888 -10.122 508 2HD1 LEU 45 2HD1 LEU 45 -3.271 1.631 -10.127 509 3HD1 LEU 45 3HD1 LEU 45 -2.553 2.947 -9.167 510 1HD2 LEU 45 2HD2 LEU 45 -4.326 0.429 -7.989 511 2HD2 LEU 45 3HD2 LEU 45 -3.386 0.595 -6.509 512 3HD2 LEU 45 1HD2 LEU 45 -3.906 2.044 -7.365 513 QB LEU 45 QB LEU 45 -2.055 -0.632 -9.379 514 QD1 LEU 45 QD1 LEU 45 -2.444 2.156 -9.805 515 QD2 LEU 45 QD2 LEU 45 -3.872 1.023 -7.287 516 QQD LEU 45 QQD LEU 45 -3.158 1.589 -8.546 517 HA PRO 46 HA PRO 46 -4.223 -4.332 -7.731 518 1HB PRO 46 2HB PRO 46 -3.282 -6.519 -9.139 519 2HB PRO 46 3HB PRO 46 -4.165 -5.136 -9.841 520 1HG PRO 46 2HG PRO 46 -1.213 -5.675 -9.878 521 2HG PRO 46 3HG PRO 46 -2.234 -4.946 -11.147 522 1HD PRO 46 2HD PRO 46 -0.615 -3.552 -9.426 523 2HD PRO 46 3HD PRO 46 -2.053 -2.832 -10.193 524 QB PRO 46 QB PRO 46 -3.723 -5.827 -9.490 525 QG PRO 46 QG PRO 46 -1.723 -5.311 -10.513 526 QD PRO 46 QD PRO 46 -1.334 -3.192 -9.809 527 H GLU 47 HN GLU 47 -0.744 -5.198 -7.423 528 HA GLU 47 HA GLU 47 -1.175 -7.405 -5.695 529 1HB GLU 47 2HB GLU 47 1.340 -5.736 -5.930 530 2HB GLU 47 3HB GLU 47 1.166 -7.397 -5.335 531 1HG GLU 47 2HG GLU 47 0.095 -7.852 -7.716 532 2HG GLU 47 3HG GLU 47 0.926 -6.350 -8.165 533 QB GLU 47 QB GLU 47 1.252 -6.566 -5.632 534 QG GLU 47 QG GLU 47 0.510 -7.101 -7.941 535 H LEU 48 HN LEU 48 -0.718 -3.918 -5.082 536 HA LEU 48 HA LEU 48 -0.700 -4.130 -2.213 537 1HB LEU 48 2HB LEU 48 0.122 -2.228 -3.639 538 2HB LEU 48 3HB LEU 48 -1.551 -1.779 -3.922 539 HG LEU 48 HG LEU 48 -0.558 -0.402 -2.239 540 1HD1 LEU 48 2HD1 LEU 48 -2.969 -1.273 -1.885 541 2HD1 LEU 48 3HD1 LEU 48 -2.290 -2.244 -0.579 542 3HD1 LEU 48 1HD1 LEU 48 -2.158 -0.481 -0.546 543 1HD2 LEU 48 1HD2 LEU 48 1.189 -2.143 -1.520 544 2HD2 LEU 48 2HD2 LEU 48 0.510 -1.093 -0.262 545 3HD2 LEU 48 3HD2 LEU 48 -0.049 -2.775 -0.416 546 QB LEU 48 QB LEU 48 -0.714 -2.003 -3.780 547 QD1 LEU 48 QD1 LEU 48 -2.473 -1.332 -1.004 548 QD2 LEU 48 QD2 LEU 48 0.550 -2.004 -0.733 549 QQD LEU 48 QQD LEU 48 -0.961 -1.669 -0.868 550 H ALA 49 HN ALA 49 -3.280 -3.382 -4.625 551 HA ALA 49 HA ALA 49 -5.455 -3.119 -2.877 552 1HB ALA 49 1HB ALA 49 -5.230 -4.138 -5.726 553 2HB ALA 49 2HB ALA 49 -6.788 -4.061 -4.907 554 3HB ALA 49 3HB ALA 49 -5.848 -2.588 -5.143 555 QB ALA 49 QB ALA 49 -5.955 -3.596 -5.259 556 H SER 50 HN SER 50 -4.209 -6.170 -4.301 557 HA SER 50 HA SER 50 -5.988 -7.834 -2.760 558 1HB SER 50 2HB SER 50 -4.284 -9.640 -3.341 559 2HB SER 50 3HB SER 50 -5.114 -8.829 -4.676 560 HG SER 50 HG SER 50 -3.287 -7.604 -5.078 561 QB SER 50 QB SER 50 -4.699 -9.234 -4.008 562 H ALA 51 HN ALA 51 -2.536 -6.885 -2.178 563 HA ALA 51 HA ALA 51 -2.105 -8.260 0.163 564 1HB ALA 51 2HB ALA 51 -0.376 -6.981 -1.009 565 2HB ALA 51 3HB ALA 51 -1.116 -5.455 -0.461 566 3HB ALA 51 1HB ALA 51 -0.410 -6.567 0.708 567 QB ALA 51 QB ALA 51 -0.634 -6.334 -0.253 568 H LEU 52 HN LEU 52 -3.587 -4.979 -0.008 569 HA LEU 52 HA LEU 52 -4.118 -5.022 2.884 570 1HB LEU 52 2HB LEU 52 -4.278 -2.965 0.735 571 2HB LEU 52 3HB LEU 52 -5.536 -2.887 1.940 572 HG LEU 52 HG LEU 52 -4.133 -1.476 2.878 573 1HD1 LEU 52 1HD1 LEU 52 -4.345 -3.348 4.565 574 2HD1 LEU 52 2HD1 LEU 52 -2.730 -3.921 4.058 575 3HD1 LEU 52 3HD1 LEU 52 -2.917 -2.318 4.752 576 1HD2 LEU 52 3HD2 LEU 52 -1.907 -2.964 1.633 577 2HD2 LEU 52 1HD2 LEU 52 -2.422 -1.252 1.503 578 3HD2 LEU 52 2HD2 LEU 52 -1.616 -1.815 2.975 579 QB LEU 52 QB LEU 52 -4.907 -2.925 1.338 580 QD1 LEU 52 QD1 LEU 52 -3.331 -3.195 4.459 581 QD2 LEU 52 QD2 LEU 52 -1.982 -2.010 2.037 582 QQD LEU 52 QQD LEU 52 -2.657 -2.603 3.248 583 H GLY 53 HN GLY 53 -5.747 -6.068 0.016 584 1HA GLY 53 1HA GLY 53 -7.873 -6.769 -0.402 585 2HA GLY 53 2HA GLY 53 -8.169 -6.872 1.342 586 QA GLY 53 QA GLY 53 -8.021 -6.821 0.470 587 H VAL 54 HN VAL 54 -7.596 -4.410 -1.217 588 HA VAL 54 HA VAL 54 -10.051 -2.987 -0.519 589 HB VAL 54 HB VAL 54 -8.920 -0.757 -0.622 590 1HG1 VAL 54 2HG1 VAL 54 -9.656 -1.704 1.511 591 2HG1 VAL 54 3HG1 VAL 54 -8.043 -2.426 1.736 592 3HG1 VAL 54 1HG1 VAL 54 -8.239 -0.659 1.685 593 1HG2 VAL 54 2HG2 VAL 54 -6.355 -2.354 -0.246 594 2HG2 VAL 54 3HG2 VAL 54 -6.790 -1.374 -1.660 595 3HG2 VAL 54 1HG2 VAL 54 -6.508 -0.594 -0.095 596 QG1 VAL 54 QG1 VAL 54 -8.646 -1.596 1.644 597 QG2 VAL 54 QG2 VAL 54 -6.550 -1.440 -0.667 598 QQG VAL 54 QQG VAL 54 -7.599 -1.518 0.489 599 H SER 55 HN SER 55 -10.426 -1.238 -2.276 600 HA SER 55 HA SER 55 -9.977 -2.590 -4.823 601 1HB SER 55 2HB SER 55 -11.790 -0.954 -5.455 602 2HB SER 55 3HB SER 55 -12.211 -2.083 -4.199 603 HG SER 55 HG SER 55 -12.170 0.608 -4.073 604 QB SER 55 QB SER 55 -12.001 -1.519 -4.826 605 H VAL 56 HN VAL 56 -9.220 -1.523 -6.683 606 HA VAL 56 HA VAL 56 -6.868 0.087 -6.292 607 HB VAL 56 HB VAL 56 -8.485 -0.806 -8.721 608 1HG1 VAL 56 1HG1 VAL 56 -6.195 1.103 -8.566 609 2HG1 VAL 56 2HG1 VAL 56 -6.217 -0.089 -9.890 610 3HG1 VAL 56 3HG1 VAL 56 -7.568 1.047 -9.664 611 1HG2 VAL 56 3HG2 VAL 56 -5.800 -1.666 -7.555 612 2HG2 VAL 56 1HG2 VAL 56 -7.312 -2.602 -7.558 613 3HG2 VAL 56 2HG2 VAL 56 -6.488 -2.257 -9.083 614 QG1 VAL 56 QG1 VAL 56 -6.660 0.687 -9.373 615 QG2 VAL 56 QG2 VAL 56 -6.533 -2.175 -8.065 616 QQG VAL 56 QQG VAL 56 -6.597 -0.744 -8.719 617 H ASP 57 HN ASP 57 -10.164 0.930 -7.441 618 HA ASP 57 HA ASP 57 -9.864 3.681 -7.941 619 1HB ASP 57 2HB ASP 57 -12.272 3.719 -6.923 620 2HB ASP 57 3HB ASP 57 -11.974 2.718 -8.343 621 QB ASP 57 QB ASP 57 -12.123 3.219 -7.634 622 CH2 TRP 58 CH2 TRP 58 -7.429 2.824 2.423 623 H TRP 58 HN TRP 58 -10.274 1.952 -4.820 624 HA TRP 58 HA TRP 58 -10.175 4.364 -3.256 625 1HB TRP 58 2HB TRP 58 -11.229 2.257 -2.509 626 2HB TRP 58 3HB TRP 58 -9.633 1.537 -2.315 627 HD1 TRP 58 HD1 TRP 58 -11.910 4.255 -0.795 628 HE1 TRP 58 HE1 TRP 58 -11.151 4.811 1.525 629 HE3 TRP 58 HE3 TRP 58 -7.495 1.627 -0.773 630 HZ2 TRP 58 HZ2 TRP 58 -8.941 4.104 3.298 631 HZ3 TRP 58 HZ3 TRP 58 -6.025 1.714 1.237 632 HH2 TRP 58 HH2 TRP 58 -6.773 2.852 3.281 633 QB TRP 58 QB TRP 58 -10.431 1.897 -2.412 634 H LEU 59 HN LEU 59 -7.644 1.945 -4.167 635 HA LEU 59 HA LEU 59 -5.567 3.270 -2.756 636 1HB LEU 59 2HB LEU 59 -5.744 1.522 -5.186 637 2HB LEU 59 3HB LEU 59 -4.219 2.307 -4.972 638 HG LEU 59 HG LEU 59 -5.625 0.716 -2.803 639 1HD1 LEU 59 1HD1 LEU 59 -4.905 -0.533 -4.962 640 2HD1 LEU 59 2HD1 LEU 59 -3.247 -0.281 -4.400 641 3HD1 LEU 59 3HD1 LEU 59 -4.422 -1.177 -3.404 642 1HD2 LEU 59 1HD2 LEU 59 -3.488 2.544 -2.557 643 2HD2 LEU 59 2HD2 LEU 59 -3.918 1.272 -1.403 644 3HD2 LEU 59 3HD2 LEU 59 -2.675 0.993 -2.637 645 QB LEU 59 QB LEU 59 -4.983 1.914 -5.079 646 QD1 LEU 59 QD1 LEU 59 -4.192 -0.664 -4.256 647 QD2 LEU 59 QD2 LEU 59 -3.360 1.603 -2.199 648 QQD LEU 59 QQD LEU 59 -3.776 0.470 -3.227 649 H LEU 60 HN LEU 60 -6.872 4.010 -5.964 650 HA LEU 60 HA LEU 60 -5.091 6.188 -6.580 651 1HB LEU 60 2HB LEU 60 -7.788 5.198 -7.500 652 2HB LEU 60 3HB LEU 60 -7.309 6.810 -7.974 653 HG LEU 60 HG LEU 60 -6.804 4.595 -9.421 654 1HD1 LEU 60 1HD1 LEU 60 -6.414 7.009 -10.060 655 2HD1 LEU 60 2HD1 LEU 60 -4.861 6.954 -9.199 656 3HD1 LEU 60 3HD1 LEU 60 -5.141 5.921 -10.624 657 1HD2 LEU 60 1HD2 LEU 60 -5.391 3.540 -7.783 658 2HD2 LEU 60 2HD2 LEU 60 -4.647 3.790 -9.363 659 3HD2 LEU 60 3HD2 LEU 60 -4.156 4.817 -8.004 660 QB LEU 60 QB LEU 60 -7.548 6.004 -7.737 661 QD1 LEU 60 QD1 LEU 60 -5.472 6.628 -9.961 662 QD2 LEU 60 QD2 LEU 60 -4.731 4.049 -8.383 663 QQD LEU 60 QQD LEU 60 -5.101 5.338 -9.172 664 H ASN 61 HN ASN 61 -8.473 6.315 -5.463 665 HA ASN 61 HA ASN 61 -8.230 9.197 -4.855 666 1HB ASN 61 2HB ASN 61 -10.559 7.226 -4.800 667 2HB ASN 61 3HB ASN 61 -10.662 8.865 -4.152 668 1HD2 ASN 61 2HD2 ASN 61 -10.466 8.358 -8.221 669 2HD2 ASN 61 1HD2 ASN 61 -10.043 7.019 -7.157 670 QB ASN 61 QB ASN 61 -10.609 8.045 -4.476 671 QD2 ASN 61 QD2 ASN 61 -10.255 7.689 -7.689 672 H GLY 62 HN GLY 62 -9.262 6.263 -3.068 673 1HA GLY 62 1HA GLY 62 -8.988 5.624 -0.915 674 2HA GLY 62 2HA GLY 62 -7.666 6.766 -0.871 675 QA GLY 62 QA GLY 62 -8.327 6.194 -0.893 676 H THR 63 HN THR 63 -11.137 6.304 -0.594 677 HA THR 63 HA THR 63 -11.468 8.380 1.480 678 HB THR 63 HB THR 63 -13.477 9.032 0.169 679 HG1 THR 63 1HG THR 63 -13.385 7.166 -1.228 680 1HG2 THR 63 1HG2 THR 63 -11.325 10.404 0.115 681 2HG2 THR 63 2HG2 THR 63 -10.884 9.554 -1.384 682 3HG2 THR 63 3HG2 THR 63 -12.319 10.587 -1.350 683 QG2 THR 63 QG2 THR 63 -11.509 10.182 -0.873 684 H SER 64 HN SER 64 -12.528 7.356 3.046 685 HA SER 64 HA SER 64 -14.134 6.219 4.195 686 1HB SER 64 2HB SER 64 -15.312 4.999 1.677 687 2HB SER 64 3HB SER 64 -16.069 5.279 3.250 688 HG SER 64 HG SER 64 -15.390 7.160 1.268 689 QB SER 64 QB SER 64 -15.690 5.140 2.463 690 H ASP 65 HN ASP 65 -14.925 3.522 3.770 691 HA ASP 65 HA ASP 65 -14.321 1.464 4.049 692 1HB ASP 65 2HB ASP 65 -13.516 1.737 1.650 693 2HB ASP 65 3HB ASP 65 -11.873 1.838 2.307 694 QB ASP 65 QB ASP 65 -12.695 1.787 1.978 695 H SER 66 HN SER 66 -13.457 0.344 5.693 696 HA SER 66 HA SER 66 -12.341 0.023 7.674 697 1HB SER 66 2HB SER 66 -9.734 0.066 7.243 698 2HB SER 66 3HB SER 66 -10.784 -1.183 6.598 699 HG SER 66 HG SER 66 -10.239 1.149 5.064 700 QB SER 66 QB SER 66 -10.259 -0.558 6.920 701 H ASN 67 HN ASN 67 -13.367 2.136 8.436 702 HA ASN 67 HA ASN 67 -11.248 3.575 9.831 703 1HB ASN 67 2HB ASN 67 -11.537 4.829 7.646 704 2HB ASN 67 3HB ASN 67 -13.229 5.101 8.080 705 1HD2 ASN 67 2HD2 ASN 67 -10.194 7.024 10.138 706 2HD2 ASN 67 1HD2 ASN 67 -9.872 5.529 9.262 707 QB ASN 67 QB ASN 67 -12.383 4.965 7.863 708 QD2 ASN 67 QD2 ASN 67 -10.033 6.277 9.700 709 H VAL 68 HN VAL 68 -11.964 3.474 11.871 710 HA VAL 68 HA VAL 68 -13.243 3.364 13.695 711 HB VAL 68 HB VAL 68 -14.958 5.362 12.185 712 1HG1 VAL 68 3HG1 VAL 68 -14.910 4.531 15.120 713 2HG1 VAL 68 1HG1 VAL 68 -15.582 6.075 14.553 714 3HG1 VAL 68 2HG1 VAL 68 -16.305 4.555 14.020 715 1HG2 VAL 68 1HG2 VAL 68 -12.682 5.663 14.202 716 2HG2 VAL 68 2HG2 VAL 68 -12.598 6.066 12.473 717 3HG2 VAL 68 3HG2 VAL 68 -13.655 6.991 13.543 718 QG1 VAL 68 QG1 VAL 68 -15.599 5.054 14.564 719 QG2 VAL 68 QG2 VAL 68 -12.978 6.240 13.406 720 QQG VAL 68 QQG VAL 68 -14.289 5.647 13.985 721 NH1 ARG 69 NH2 ARG 69 -12.920 -5.453 11.313 722 NH2 ARG 69 NH1 ARG 69 -14.644 -6.148 12.700 723 H ARG 69 HN ARG 69 -13.698 1.247 13.704 724 HA ARG 69 HA ARG 69 -16.322 0.253 12.701 725 1HB ARG 69 2HB ARG 69 -13.743 -1.074 13.622 726 2HB ARG 69 3HB ARG 69 -15.291 -1.923 13.673 727 1HG ARG 69 2HG ARG 69 -15.629 -1.577 11.265 728 2HG ARG 69 3HG ARG 69 -14.130 -0.639 11.163 729 1HD ARG 69 2HD ARG 69 -13.800 -2.931 10.362 730 2HD ARG 69 3HD ARG 69 -12.810 -2.604 11.808 731 HE ARG 69 HE ARG 69 -15.261 -3.704 12.681 732 1HH1 ARG 69 2HH2 ARG 69 -12.435 -4.700 10.850 733 2HH1 ARG 69 1HH2 ARG 69 -12.561 -6.392 11.226 734 1HH2 ARG 69 2HH1 ARG 69 -15.455 -5.938 13.264 735 2HH2 ARG 69 1HH1 ARG 69 -14.331 -7.107 12.653 736 QB ARG 69 QB ARG 69 -14.517 -1.499 13.647 737 QG ARG 69 QG ARG 69 -14.879 -1.108 11.213 738 QD ARG 69 QD ARG 69 -13.306 -2.767 11.085 739 QH1 ARG 69 QH2 ARG 69 -12.498 -5.546 11.037 740 QH2 ARG 69 QH1 ARG 69 -14.893 -6.522 12.959 Start of MODEL 9 Raw file had 740 H/Q atoms Start of MODEL 9 1 H SER 1 HN SER 1 -4.863 10.196 4.863 2 HA SER 1 HA SER 1 -4.578 11.192 2.093 3 1HB SER 1 2HB SER 1 -3.229 12.500 3.697 4 2HB SER 1 3HB SER 1 -2.485 11.015 4.326 5 HG SER 1 HG SER 1 -1.725 12.453 2.230 6 QB SER 1 QB SER 1 -2.858 11.758 4.012 7 H ILE 2 HN ILE 2 -2.574 9.978 1.016 8 HA ILE 2 HA ILE 2 -3.394 7.235 0.766 9 HB ILE 2 HB ILE 2 -2.424 8.422 -1.113 10 1HG1 ILE 2 2HG1 ILE 2 -0.724 6.069 -0.202 11 2HG1 ILE 2 3HG1 ILE 2 -2.336 5.944 -0.876 12 1HG2 ILE 2 2HG2 ILE 2 -0.682 9.770 0.172 13 2HG2 ILE 2 3HG2 ILE 2 0.304 8.294 0.251 14 3HG2 ILE 2 1HG2 ILE 2 -0.106 9.018 -1.311 15 1HD1 ILE 2 2HD1 ILE 2 -1.496 7.027 -2.993 16 2HD1 ILE 2 3HD1 ILE 2 0.152 6.967 -2.315 17 3HD1 ILE 2 1HD1 ILE 2 -0.738 5.468 -2.615 18 QG1 ILE 2 QG1 ILE 2 -1.530 6.006 -0.539 19 QG2 ILE 2 QG2 ILE 2 -0.162 9.027 -0.296 20 QD1 ILE 2 QD1 ILE 2 -0.694 6.488 -2.641 21 H SER 3 HN SER 3 -0.698 8.822 2.459 22 HA SER 3 HA SER 3 0.560 6.515 3.470 23 1HB SER 3 2HB SER 3 1.303 8.989 3.660 24 2HB SER 3 3HB SER 3 0.221 9.103 5.054 25 HG SER 3 HG SER 3 2.543 7.568 4.675 26 QB SER 3 QB SER 3 0.762 9.045 4.357 27 H SER 4 HN SER 4 -2.183 8.450 4.828 28 HA SER 4 HA SER 4 -2.739 6.848 7.054 29 1HB SER 4 2HB SER 4 -5.085 7.887 5.502 30 2HB SER 4 3HB SER 4 -4.719 8.028 7.218 31 HG SER 4 HG SER 4 -3.229 9.671 6.728 32 QB SER 4 QB SER 4 -4.902 7.959 6.360 33 NH1 ARG 5 NH2 ARG 5 -4.648 6.427 -1.571 34 NH2 ARG 5 NH1 ARG 5 -5.733 8.428 -2.007 35 H ARG 5 HN ARG 5 -4.037 6.573 3.697 36 HA ARG 5 HA ARG 5 -5.722 4.393 4.151 37 1HB ARG 5 2HB ARG 5 -4.102 4.983 1.645 38 2HB ARG 5 3HB ARG 5 -5.281 3.832 1.693 39 1HG ARG 5 2HG ARG 5 -6.939 5.636 2.534 40 2HG ARG 5 3HG ARG 5 -5.708 6.810 2.110 41 1HD ARG 5 2HD ARG 5 -6.154 4.932 -0.120 42 2HD ARG 5 3HD ARG 5 -7.647 5.574 0.452 43 HE ARG 5 HE ARG 5 -7.137 7.731 -0.082 44 1HH1 ARG 5 2HH2 ARG 5 -4.487 5.658 -0.940 45 2HH1 ARG 5 1HH2 ARG 5 -4.230 6.358 -2.502 46 1HH2 ARG 5 2HH1 ARG 5 -6.410 9.128 -1.756 47 2HH2 ARG 5 1HH1 ARG 5 -5.286 8.529 -2.922 48 QB ARG 5 QB ARG 5 -4.691 4.408 1.668 49 QG ARG 5 QG ARG 5 -6.324 6.223 2.322 50 QD ARG 5 QD ARG 5 -6.901 5.253 0.165 51 QH1 ARG 5 QH2 ARG 5 -4.359 6.008 -1.721 52 QH2 ARG 5 QH1 ARG 5 -5.847 8.828 -2.338 53 H VAL 6 HN VAL 6 -2.344 4.185 2.847 54 HA VAL 6 HA VAL 6 -2.383 1.334 2.983 55 HB VAL 6 HB VAL 6 -0.064 3.300 2.798 56 1HG1 VAL 6 2HG1 VAL 6 -0.181 0.255 2.825 57 2HG1 VAL 6 3HG1 VAL 6 1.144 1.135 2.056 58 3HG1 VAL 6 1HG1 VAL 6 0.821 1.371 3.784 59 1HG2 VAL 6 3HG2 VAL 6 -1.656 1.645 0.798 60 2HG2 VAL 6 1HG2 VAL 6 -1.285 3.385 0.757 61 3HG2 VAL 6 2HG2 VAL 6 -0.018 2.199 0.439 62 QG1 VAL 6 QG1 VAL 6 0.594 0.920 2.888 63 QG2 VAL 6 QG2 VAL 6 -0.986 2.410 0.665 64 QQG VAL 6 QQG VAL 6 -0.196 1.665 1.776 65 H LYS 7 HN LYS 7 -1.009 3.765 5.288 66 HA LYS 7 HA LYS 7 0.174 1.853 7.007 67 1HB LYS 7 2HB LYS 7 0.525 4.398 6.895 68 2HB LYS 7 3HB LYS 7 -0.969 4.555 7.815 69 1HG LYS 7 2HG LYS 7 0.572 4.640 9.501 70 2HG LYS 7 3HG LYS 7 0.240 2.916 9.507 71 1HD LYS 7 2HD LYS 7 2.388 2.436 9.084 72 2HD LYS 7 3HD LYS 7 2.402 3.385 7.602 73 1HE LYS 7 2HE LYS 7 2.779 4.556 10.409 74 2HE LYS 7 3HE LYS 7 4.116 4.048 9.372 75 1HZ LYS 7 1HZ LYS 7 2.168 6.121 8.595 76 2HZ LYS 7 2HZ LYS 7 3.646 6.416 9.251 77 3HZ LYS 7 3HZ LYS 7 3.530 5.692 7.786 78 QB LYS 7 QB LYS 7 -0.222 4.476 7.355 79 QG LYS 7 QG LYS 7 0.405 3.779 9.504 80 QD LYS 7 QD LYS 7 2.395 2.910 8.344 81 QE LYS 7 QE LYS 7 3.447 4.302 9.891 82 QZ LYS 7 QZ LYS 7 3.115 6.076 8.544 83 H SER 8 HN SER 8 -3.035 3.528 7.290 84 HA SER 8 HA SER 8 -3.981 2.260 9.637 85 1HB SER 8 2HB SER 8 -5.516 3.245 7.195 86 2HB SER 8 3HB SER 8 -6.258 2.754 8.722 87 HG SER 8 HG SER 8 -4.167 4.637 8.722 88 QB SER 8 QB SER 8 -5.886 3.000 7.958 89 H LYS 9 HN LYS 9 -4.269 1.233 6.179 90 HA LYS 9 HA LYS 9 -5.780 -1.072 6.896 91 1HB LYS 9 2HB LYS 9 -5.503 0.187 4.610 92 2HB LYS 9 3HB LYS 9 -4.124 -0.878 4.379 93 1HG LYS 9 2HG LYS 9 -6.118 -1.785 3.331 94 2HG LYS 9 3HG LYS 9 -5.742 -2.822 4.720 95 1HD LYS 9 2HD LYS 9 -7.505 -0.809 5.713 96 2HD LYS 9 3HD LYS 9 -8.109 -1.104 4.116 97 1HE LYS 9 2HE LYS 9 -7.529 -3.323 6.143 98 2HE LYS 9 3HE LYS 9 -9.096 -2.525 5.997 99 1HZ LYS 9 2HZ LYS 9 -9.247 -3.343 3.698 100 2HZ LYS 9 3HZ LYS 9 -7.798 -4.083 3.834 101 3HZ LYS 9 1HZ LYS 9 -9.047 -4.576 4.762 102 QB LYS 9 QB LYS 9 -4.814 -0.345 4.494 103 QG LYS 9 QG LYS 9 -5.930 -2.304 4.026 104 QD LYS 9 QD LYS 9 -7.807 -0.957 4.915 105 QE LYS 9 QE LYS 9 -8.312 -2.924 6.070 106 QZ LYS 9 QZ LYS 9 -8.697 -4.000 4.098 107 NH1 ARG 10 NH2 ARG 10 2.406 -0.984 3.426 108 NH2 ARG 10 NH1 ARG 10 3.258 0.866 4.493 109 H ARG 10 HN ARG 10 -2.275 -0.557 6.560 110 HA ARG 10 HA ARG 10 -1.373 -3.175 7.014 111 1HB ARG 10 2HB ARG 10 -0.173 -0.668 6.838 112 2HB ARG 10 3HB ARG 10 0.004 -0.989 8.553 113 1HG ARG 10 2HG ARG 10 1.879 -2.090 8.016 114 2HG ARG 10 3HG ARG 10 0.829 -3.389 7.436 115 1HD ARG 10 2HD ARG 10 2.259 -2.965 5.649 116 2HD ARG 10 3HD ARG 10 0.735 -2.150 5.215 117 HE ARG 10 HE ARG 10 2.808 -0.515 6.564 118 1HH1 ARG 10 2HH2 ARG 10 1.998 -1.905 3.468 119 2HH1 ARG 10 1HH2 ARG 10 2.592 -0.555 2.529 120 1HH2 ARG 10 2HH1 ARG 10 3.367 1.461 5.295 121 2HH2 ARG 10 1HH1 ARG 10 3.432 1.287 3.572 122 QB ARG 10 QB ARG 10 -0.084 -0.829 7.695 123 QG ARG 10 QG ARG 10 1.354 -2.740 7.726 124 QD ARG 10 QD ARG 10 1.497 -2.557 5.432 125 QH1 ARG 10 QH2 ARG 10 2.295 -1.230 2.999 126 QH2 ARG 10 QH1 ARG 10 3.399 1.374 4.434 127 H ILE 11 HN ILE 11 -2.267 -0.665 9.459 128 HA ILE 11 HA ILE 11 -1.863 -2.329 11.747 129 HB ILE 11 HB ILE 11 -3.694 0.075 11.403 130 1HG1 ILE 11 2HG1 ILE 11 -2.045 0.924 13.156 131 2HG1 ILE 11 3HG1 ILE 11 -0.997 -0.433 12.757 132 1HG2 ILE 11 1HG2 ILE 11 -3.095 -1.560 13.905 133 2HG2 ILE 11 2HG2 ILE 11 -3.904 0.019 13.892 134 3HG2 ILE 11 3HG2 ILE 11 -4.694 -1.359 13.152 135 1HD1 ILE 11 3HD1 ILE 11 -1.968 1.666 10.777 136 2HD1 ILE 11 1HD1 ILE 11 -0.454 1.796 11.684 137 3HD1 ILE 11 2HD1 ILE 11 -0.654 0.463 10.537 138 QG1 ILE 11 QG1 ILE 11 -1.521 0.245 12.956 139 QG2 ILE 11 QG2 ILE 11 -3.898 -0.967 13.650 140 QD1 ILE 11 QD1 ILE 11 -1.026 1.309 10.999 141 H GLN 12 HN GLN 12 -4.886 -1.617 9.974 142 HA GLN 12 HA GLN 12 -6.582 -3.378 11.381 143 1HB GLN 12 2HB GLN 12 -6.600 -2.440 8.504 144 2HB GLN 12 3HB GLN 12 -7.851 -3.513 9.130 145 1HG GLN 12 2HG GLN 12 -7.381 -1.215 10.930 146 2HG GLN 12 3HG GLN 12 -7.844 -0.707 9.309 147 1HE2 GLN 12 2HE2 GLN 12 -11.169 -1.992 9.545 148 2HE2 GLN 12 1HE2 GLN 12 -9.942 -1.377 8.452 149 QB GLN 12 QB GLN 12 -7.225 -2.977 8.817 150 QG GLN 12 QG GLN 12 -7.613 -0.961 10.120 151 QE2 GLN 12 QE2 GLN 12 -10.556 -1.684 8.998 152 H LEU 13 HN LEU 13 -4.376 -4.211 8.686 153 HA LEU 13 HA LEU 13 -5.097 -7.033 8.680 154 1HB LEU 13 2HB LEU 13 -2.845 -5.344 7.572 155 2HB LEU 13 3HB LEU 13 -2.676 -7.095 7.597 156 HG LEU 13 HG LEU 13 -5.323 -6.130 6.624 157 1HD1 LEU 13 3HD1 LEU 13 -3.605 -4.517 5.585 158 2HD1 LEU 13 1HD1 LEU 13 -3.027 -5.930 4.681 159 3HD1 LEU 13 2HD1 LEU 13 -4.738 -5.414 4.578 160 1HD2 LEU 13 1HD2 LEU 13 -4.607 -8.533 6.674 161 2HD2 LEU 13 2HD2 LEU 13 -4.982 -7.968 5.022 162 3HD2 LEU 13 3HD2 LEU 13 -3.290 -8.135 5.546 163 QB LEU 13 QB LEU 13 -2.760 -6.219 7.584 164 QD1 LEU 13 QD1 LEU 13 -3.790 -5.286 4.948 165 QD2 LEU 13 QD2 LEU 13 -4.293 -8.212 5.747 166 QQD LEU 13 QQD LEU 13 -4.041 -6.749 5.348 167 H GLY 14 HN GLY 14 -2.873 -5.085 10.601 168 1HA GLY 14 1HA GLY 14 -1.822 -5.645 12.568 169 2HA GLY 14 2HA GLY 14 -2.427 -7.307 12.443 170 QA GLY 14 QA GLY 14 -2.125 -6.476 12.505 171 H LEU 15 HN LEU 15 -0.522 -5.351 10.109 172 HA LEU 15 HA LEU 15 1.858 -7.109 10.428 173 1HB LEU 15 2HB LEU 15 0.350 -6.503 7.849 174 2HB LEU 15 3HB LEU 15 1.970 -7.201 7.887 175 HG LEU 15 HG LEU 15 -0.423 -8.547 9.221 176 1HD1 LEU 15 3HD1 LEU 15 -0.819 -8.255 6.790 177 2HD1 LEU 15 1HD1 LEU 15 0.727 -9.088 6.479 178 3HD1 LEU 15 2HD1 LEU 15 -0.612 -9.956 7.270 179 1HD2 LEU 15 2HD2 LEU 15 2.285 -9.624 8.291 180 2HD2 LEU 15 3HD2 LEU 15 1.832 -9.335 9.984 181 3HD2 LEU 15 1HD2 LEU 15 0.991 -10.571 9.041 182 QB LEU 15 QB LEU 15 1.160 -6.852 7.868 183 QD1 LEU 15 QD1 LEU 15 -0.235 -9.100 6.846 184 QD2 LEU 15 QD2 LEU 15 1.703 -9.843 9.105 185 QQD LEU 15 QQD LEU 15 0.734 -9.471 7.975 186 H ASN 16 HN ASN 16 3.743 -6.111 9.351 187 HA ASN 16 HA ASN 16 3.562 -3.134 9.485 188 1HB ASN 16 2HB ASN 16 5.697 -3.053 10.201 189 2HB ASN 16 3HB ASN 16 5.173 -4.566 10.927 190 1HD2 ASN 16 2HD2 ASN 16 7.405 -6.560 8.920 191 2HD2 ASN 16 1HD2 ASN 16 5.850 -6.614 9.737 192 QB ASN 16 QB ASN 16 5.434 -3.809 10.564 193 QD2 ASN 16 QD2 ASN 16 6.628 -6.587 9.328 194 H GLN 17 HN GLN 17 5.468 -2.118 8.147 195 HA GLN 17 HA GLN 17 4.518 -2.067 5.468 196 1HB GLN 17 2HB GLN 17 7.091 -1.028 6.610 197 2HB GLN 17 3HB GLN 17 6.382 -0.511 5.079 198 1HG GLN 17 2HG GLN 17 4.445 0.361 6.648 199 2HG GLN 17 3HG GLN 17 5.533 0.005 7.967 200 1HE2 GLN 17 2HE2 GLN 17 6.659 3.024 5.371 201 2HE2 GLN 17 1HE2 GLN 17 5.904 1.606 4.688 202 QB GLN 17 QB GLN 17 6.737 -0.770 5.844 203 QG GLN 17 QG GLN 17 4.989 0.184 7.307 204 QE2 GLN 17 QE2 GLN 17 6.281 2.316 5.029 205 H ALA 18 HN ALA 18 7.496 -3.566 6.811 206 HA ALA 18 HA ALA 18 8.449 -4.438 4.240 207 1HB ALA 18 2HB ALA 18 9.913 -4.124 6.190 208 2HB ALA 18 3HB ALA 18 9.112 -5.473 7.023 209 3HB ALA 18 1HB ALA 18 10.037 -5.767 5.531 210 QB ALA 18 QB ALA 18 9.687 -5.121 6.248 211 H GLU 19 HN GLU 19 6.547 -6.071 6.829 212 HA GLU 19 HA GLU 19 6.222 -8.616 5.612 213 1HB GLU 19 2HB GLU 19 4.566 -6.898 7.464 214 2HB GLU 19 3HB GLU 19 3.850 -8.359 6.784 215 1HG GLU 19 2HG GLU 19 5.475 -9.796 7.726 216 2HG GLU 19 3HG GLU 19 6.521 -8.465 8.220 217 QB GLU 19 QB GLU 19 4.208 -7.628 7.124 218 QG GLU 19 QG GLU 19 5.998 -9.131 7.973 219 H LEU 20 HN LEU 20 4.248 -5.604 5.233 220 HA LEU 20 HA LEU 20 2.555 -6.761 3.312 221 1HB LEU 20 2HB LEU 20 1.982 -4.773 4.407 222 2HB LEU 20 3HB LEU 20 3.245 -3.844 3.566 223 HG LEU 20 HG LEU 20 1.578 -5.460 1.714 224 1HD1 LEU 20 3HD1 LEU 20 0.136 -3.599 3.578 225 2HD1 LEU 20 1HD1 LEU 20 -0.404 -3.934 1.921 226 3HD1 LEU 20 2HD1 LEU 20 -0.259 -5.262 3.088 227 1HD2 LEU 20 1HD2 LEU 20 3.121 -3.356 1.269 228 2HD2 LEU 20 2HD2 LEU 20 1.639 -3.679 0.362 229 3HD2 LEU 20 3HD2 LEU 20 1.603 -2.472 1.616 230 QB LEU 20 QB LEU 20 2.614 -4.308 3.986 231 QD1 LEU 20 QD1 LEU 20 -0.175 -4.265 2.862 232 QD2 LEU 20 QD2 LEU 20 2.121 -3.169 1.082 233 QQD LEU 20 QQD LEU 20 0.973 -3.717 1.972 234 H ALA 21 HN ALA 21 5.595 -4.884 2.820 235 HA ALA 21 HA ALA 21 5.746 -4.989 0.048 236 1HB ALA 21 2HB ALA 21 7.399 -3.975 1.886 237 2HB ALA 21 3HB ALA 21 8.282 -5.477 1.598 238 3HB ALA 21 1HB ALA 21 7.953 -4.378 0.249 239 QB ALA 21 QB ALA 21 7.878 -4.610 1.244 240 H GLN 22 HN GLN 22 6.766 -7.504 2.390 241 HA GLN 22 HA GLN 22 7.736 -9.383 0.491 242 1HB GLN 22 2HB GLN 22 6.624 -9.713 3.305 243 2HB GLN 22 3HB GLN 22 6.999 -11.088 2.268 244 1HG GLN 22 2HG GLN 22 9.335 -10.053 1.954 245 2HG GLN 22 3HG GLN 22 8.916 -8.973 3.295 246 1HE2 GLN 22 2HE2 GLN 22 10.379 -11.552 5.310 247 2HE2 GLN 22 1HE2 GLN 22 10.517 -9.893 4.751 248 QB GLN 22 QB GLN 22 6.811 -10.401 2.787 249 QG GLN 22 QG GLN 22 9.125 -9.513 2.624 250 QE2 GLN 22 QE2 GLN 22 10.448 -10.723 5.031 251 H LYS 23 HN LYS 23 4.391 -9.240 1.968 252 HA LYS 23 HA LYS 23 3.576 -11.398 0.262 253 1HB LYS 23 2HB LYS 23 1.339 -11.065 0.888 254 2HB LYS 23 3HB LYS 23 2.372 -10.902 2.320 255 1HG LYS 23 2HG LYS 23 2.110 -8.539 2.339 256 2HG LYS 23 3HG LYS 23 1.382 -8.487 0.732 257 1HD LYS 23 2HD LYS 23 -0.379 -8.158 2.273 258 2HD LYS 23 3HD LYS 23 -0.585 -9.771 1.558 259 1HE LYS 23 2HE LYS 23 0.435 -10.718 3.692 260 2HE LYS 23 3HE LYS 23 0.609 -9.050 4.262 261 1HZ LYS 23 3HZ LYS 23 -1.972 -9.089 3.693 262 2HZ LYS 23 1HZ LYS 23 -1.769 -10.680 4.072 263 3HZ LYS 23 2HZ LYS 23 -1.375 -9.522 5.165 264 QB LYS 23 QB LYS 23 1.855 -10.984 1.604 265 QG LYS 23 QG LYS 23 1.746 -8.512 1.536 266 QD LYS 23 QD LYS 23 -0.482 -8.965 1.915 267 QE LYS 23 QE LYS 23 0.522 -9.883 3.977 268 QZ LYS 23 QZ LYS 23 -1.705 -9.763 4.310 269 H VAL 24 HN VAL 24 3.735 -7.943 -0.364 270 HA VAL 24 HA VAL 24 2.284 -8.021 -2.889 271 HB VAL 24 HB VAL 24 4.417 -6.150 -1.834 272 1HG1 VAL 24 3HG1 VAL 24 2.489 -5.826 -4.171 273 2HG1 VAL 24 1HG1 VAL 24 3.448 -4.506 -3.474 274 3HG1 VAL 24 2HG1 VAL 24 4.261 -5.861 -4.271 275 1HG2 VAL 24 2HG2 VAL 24 1.991 -6.385 -0.664 276 2HG2 VAL 24 3HG2 VAL 24 2.862 -4.856 -0.901 277 3HG2 VAL 24 1HG2 VAL 24 1.545 -5.321 -2.001 278 QG1 VAL 24 QG1 VAL 24 3.399 -5.398 -3.972 279 QG2 VAL 24 QG2 VAL 24 2.133 -5.521 -1.189 280 QQG VAL 24 QQG VAL 24 2.766 -5.459 -2.580 281 H GLY 25 HN GLY 25 5.636 -8.694 -1.834 282 1HA GLY 25 1HA GLY 25 7.298 -9.822 -2.952 283 2HA GLY 25 2HA GLY 25 6.282 -9.972 -4.395 284 QA GLY 25 QA GLY 25 6.790 -9.898 -3.674 285 H THR 26 HN THR 26 7.249 -7.127 -2.462 286 HA THR 26 HA THR 26 8.915 -6.092 -4.697 287 HB THR 26 HB THR 26 6.668 -5.035 -4.846 288 HG1 THR 26 1HG THR 26 8.360 -3.854 -5.588 289 1HG2 THR 26 2HG2 THR 26 6.269 -5.000 -2.299 290 2HG2 THR 26 3HG2 THR 26 7.305 -3.560 -2.263 291 3HG2 THR 26 1HG2 THR 26 5.814 -3.552 -3.220 292 QG2 THR 26 QG2 THR 26 6.463 -4.037 -2.594 293 H THR 27 HN THR 27 9.451 -3.682 -3.309 294 HA THR 27 HA THR 27 11.171 -4.723 -1.063 295 HB THR 27 HB THR 27 12.800 -3.000 -1.769 296 HG1 THR 27 1HG THR 27 10.858 -2.010 -3.233 297 1HG2 THR 27 2HG2 THR 27 12.927 -5.385 -2.558 298 2HG2 THR 27 3HG2 THR 27 12.054 -4.908 -4.032 299 3HG2 THR 27 1HG2 THR 27 13.655 -4.224 -3.689 300 QG2 THR 27 QG2 THR 27 12.878 -4.839 -3.426 301 H GLN 28 HN GLN 28 11.149 -3.623 0.846 302 HA GLN 28 HA GLN 28 9.081 -1.955 1.573 303 1HB GLN 28 2HB GLN 28 10.518 -3.103 3.174 304 2HB GLN 28 3HB GLN 28 11.867 -2.010 2.790 305 1HG GLN 28 2HG GLN 28 10.606 -0.083 3.638 306 2HG GLN 28 3HG GLN 28 9.150 -1.080 3.830 307 1HE2 GLN 28 2HE2 GLN 28 10.315 -0.934 7.230 308 2HE2 GLN 28 1HE2 GLN 28 9.344 -0.045 6.069 309 QB GLN 28 QB GLN 28 11.193 -2.556 2.982 310 QG GLN 28 QG GLN 28 9.878 -0.582 3.733 311 QE2 GLN 28 QE2 GLN 28 9.830 -0.489 6.649 312 H GLN 29 HN GLN 29 12.153 -0.992 0.046 313 HA GLN 29 HA GLN 29 12.030 1.729 0.539 314 1HB GLN 29 2HB GLN 29 13.812 0.273 -0.726 315 2HB GLN 29 3HB GLN 29 12.856 0.589 -2.176 316 1HG GLN 29 2HG GLN 29 14.724 2.171 -1.973 317 2HG GLN 29 3HG GLN 29 13.191 3.040 -1.823 318 1HE2 GLN 29 2HE2 GLN 29 13.615 4.095 1.531 319 2HE2 GLN 29 1HE2 GLN 29 12.760 4.167 0.044 320 QB GLN 29 QB GLN 29 13.334 0.430 -1.450 321 QG GLN 29 QG GLN 29 13.958 2.605 -1.898 322 QE2 GLN 29 QE2 GLN 29 13.188 4.131 0.788 323 H SER 30 HN SER 30 10.344 -0.144 -1.995 324 HA SER 30 HA SER 30 9.139 2.041 -3.353 325 1HB SER 30 2HB SER 30 8.038 -0.797 -3.086 326 2HB SER 30 3HB SER 30 7.897 0.306 -4.463 327 HG SER 30 HG SER 30 10.171 0.084 -4.738 328 QB SER 30 QB SER 30 7.968 -0.245 -3.774 329 H ILE 31 HN ILE 31 8.310 0.131 -0.489 330 HA ILE 31 HA ILE 31 5.569 1.058 -0.257 331 HB ILE 31 HB ILE 31 7.429 -0.171 1.821 332 1HG1 ILE 31 2HG1 ILE 31 7.327 -1.776 0.051 333 2HG1 ILE 31 3HG1 ILE 31 6.165 -2.270 1.279 334 1HG2 ILE 31 3HG2 ILE 31 5.509 0.875 2.830 335 2HG2 ILE 31 1HG2 ILE 31 4.431 -0.051 1.752 336 3HG2 ILE 31 2HG2 ILE 31 5.425 -0.890 2.956 337 1HD1 ILE 31 3HD1 ILE 31 4.327 -1.256 -0.149 338 2HD1 ILE 31 1HD1 ILE 31 5.554 -0.997 -1.413 339 3HD1 ILE 31 2HD1 ILE 31 5.178 -2.634 -0.861 340 QG1 ILE 31 QG1 ILE 31 6.746 -2.023 0.665 341 QG2 ILE 31 QG2 ILE 31 5.122 -0.023 2.513 342 QD1 ILE 31 QD1 ILE 31 5.019 -1.629 -0.807 343 H GLU 32 HN GLU 32 8.674 1.965 1.319 344 HA GLU 32 HA GLU 32 7.754 4.121 2.853 345 1HB GLU 32 2HB GLU 32 9.991 3.134 3.040 346 2HB GLU 32 3HB GLU 32 10.453 3.779 1.461 347 1HG GLU 32 2HG GLU 32 10.256 6.078 2.304 348 2HG GLU 32 3HG GLU 32 9.619 5.479 3.846 349 QB GLU 32 QB GLU 32 10.222 3.456 2.251 350 QG GLU 32 QG GLU 32 9.938 5.778 3.076 351 H GLN 33 HN GLN 33 9.213 4.350 -0.443 352 HA GLN 33 HA GLN 33 8.691 7.099 -0.770 353 1HB GLN 33 2HB GLN 33 9.039 6.709 -3.187 354 2HB GLN 33 3HB GLN 33 10.260 5.968 -2.107 355 1HG GLN 33 2HG GLN 33 10.112 4.237 -3.429 356 2HG GLN 33 3HG GLN 33 8.686 3.901 -2.443 357 1HE2 GLN 33 2HE2 GLN 33 6.470 4.173 -5.139 358 2HE2 GLN 33 1HE2 GLN 33 6.874 3.391 -3.620 359 QB GLN 33 QB GLN 33 9.649 6.338 -2.648 360 QG GLN 33 QG GLN 33 9.398 4.069 -2.936 361 QE2 GLN 33 QE2 GLN 33 6.672 3.782 -4.379 362 H LEU 34 HN LEU 34 6.632 4.362 -1.649 363 HA LEU 34 HA LEU 34 4.514 5.862 -2.824 364 1HB LEU 34 2HB LEU 34 4.652 3.461 -3.094 365 2HB LEU 34 3HB LEU 34 4.476 3.214 -1.349 366 HG LEU 34 HG LEU 34 2.170 4.073 -1.428 367 1HD1 LEU 34 1HD1 LEU 34 2.680 4.293 -4.426 368 2HD1 LEU 34 2HD1 LEU 34 1.080 4.378 -3.677 369 3HD1 LEU 34 3HD1 LEU 34 2.272 5.644 -3.337 370 1HD2 LEU 34 1HD2 LEU 34 2.860 1.629 -1.943 371 2HD2 LEU 34 2HD2 LEU 34 1.222 2.144 -2.397 372 3HD2 LEU 34 3HD2 LEU 34 2.494 2.040 -3.635 373 QB LEU 34 QB LEU 34 4.564 3.338 -2.222 374 QD1 LEU 34 QD1 LEU 34 2.010 4.771 -3.813 375 QD2 LEU 34 QD2 LEU 34 2.192 1.938 -2.658 376 QQD LEU 34 QQD LEU 34 2.101 3.355 -3.236 377 H GLU 35 HN GLU 35 4.936 4.775 0.589 378 HA GLU 35 HA GLU 35 2.620 6.094 1.603 379 1HB GLU 35 2HB GLU 35 5.136 4.917 2.778 380 2HB GLU 35 3HB GLU 35 4.162 5.986 3.788 381 1HG GLU 35 2HG GLU 35 3.536 3.632 4.089 382 2HG GLU 35 3HG GLU 35 2.185 4.625 3.532 383 QB GLU 35 QB GLU 35 4.649 5.452 3.282 384 QG GLU 35 QG GLU 35 2.861 4.129 3.810 385 H ASN 36 HN ASN 36 5.885 7.278 1.009 386 HA ASN 36 HA ASN 36 5.367 9.919 2.118 387 1HB ASN 36 2HB ASN 36 7.565 8.515 0.705 388 2HB ASN 36 3HB ASN 36 7.399 10.170 0.158 389 1HD2 ASN 36 2HD2 ASN 36 9.775 10.014 3.053 390 2HD2 ASN 36 1HD2 ASN 36 9.678 9.116 1.553 391 QB ASN 36 QB ASN 36 7.482 9.343 0.431 392 QD2 ASN 36 QD2 ASN 36 9.727 9.565 2.303 393 H GLY 37 HN GLY 37 3.760 8.484 -0.371 394 1HA GLY 37 1HA GLY 37 2.479 9.262 -2.054 395 2HA GLY 37 2HA GLY 37 2.606 10.873 -1.331 396 QA GLY 37 QA GLY 37 2.543 10.067 -1.692 397 H LYS 38 HN LYS 38 5.269 8.808 -2.592 398 HA LYS 38 HA LYS 38 5.664 10.703 -4.887 399 1HB LYS 38 2HB LYS 38 7.815 9.332 -3.221 400 2HB LYS 38 3HB LYS 38 8.035 10.306 -4.692 401 1HG LYS 38 2HG LYS 38 6.842 12.195 -3.495 402 2HG LYS 38 3HG LYS 38 6.976 11.257 -2.000 403 1HD LYS 38 2HD LYS 38 9.201 11.766 -1.746 404 2HD LYS 38 3HD LYS 38 9.556 11.336 -3.413 405 1HE LYS 38 2HE LYS 38 10.107 13.660 -3.152 406 2HE LYS 38 3HE LYS 38 8.705 13.520 -4.218 407 1HZ LYS 38 1HZ LYS 38 7.311 14.053 -2.291 408 2HZ LYS 38 2HZ LYS 38 8.650 14.248 -1.358 409 3HZ LYS 38 3HZ LYS 38 8.382 15.257 -2.628 410 QB LYS 38 QB LYS 38 7.925 9.819 -3.957 411 QG LYS 38 QG LYS 38 6.909 11.726 -2.748 412 QD LYS 38 QD LYS 38 9.379 11.551 -2.580 413 QE LYS 38 QE LYS 38 9.406 13.590 -3.684 414 QZ LYS 38 QZ LYS 38 8.114 14.519 -2.092 415 H THR 39 HN THR 39 3.962 8.840 -5.355 416 HA THR 39 HA THR 39 5.433 7.375 -7.424 417 HB THR 39 HB THR 39 3.413 6.015 -5.602 418 HG1 THR 39 1HG THR 39 6.129 6.281 -5.476 419 1HG2 THR 39 3HG2 THR 39 5.108 4.887 -7.884 420 2HG2 THR 39 1HG2 THR 39 4.066 3.944 -6.803 421 3HG2 THR 39 2HG2 THR 39 3.346 5.120 -7.904 422 QG2 THR 39 QG2 THR 39 4.173 4.650 -7.531 423 H LYS 40 HN LYS 40 4.236 7.581 -9.294 424 HA LYS 40 HA LYS 40 1.666 8.945 -9.187 425 1HB LYS 40 2HB LYS 40 3.406 7.755 -11.346 426 2HB LYS 40 3HB LYS 40 1.773 8.244 -11.751 427 1HG LYS 40 2HG LYS 40 3.426 10.240 -10.197 428 2HG LYS 40 3HG LYS 40 3.959 9.876 -11.827 429 1HD LYS 40 2HD LYS 40 2.579 11.842 -11.796 430 2HD LYS 40 3HD LYS 40 1.870 10.601 -12.813 431 1HE LYS 40 2HE LYS 40 0.987 11.213 -9.932 432 2HE LYS 40 3HE LYS 40 0.285 11.969 -11.362 433 1HZ LYS 40 3HZ LYS 40 -0.387 9.802 -12.138 434 2HZ LYS 40 1HZ LYS 40 0.184 9.092 -10.765 435 3HZ LYS 40 2HZ LYS 40 -1.053 10.156 -10.678 436 QB LYS 40 QB LYS 40 2.589 7.999 -11.549 437 QG LYS 40 QG LYS 40 3.693 10.058 -11.012 438 QD LYS 40 QD LYS 40 2.225 11.221 -12.305 439 QE LYS 40 QE LYS 40 0.636 11.590 -10.647 440 QZ LYS 40 QZ LYS 40 -0.419 9.683 -11.194 441 NH1 ARG 41 NH2 ARG 41 -0.082 2.170 -15.338 442 NH2 ARG 41 NH1 ARG 41 -2.027 0.921 -15.458 443 H ARG 41 HN ARG 41 2.639 5.642 -10.255 444 HA ARG 41 HA ARG 41 -0.095 4.593 -9.680 445 1HB ARG 41 2HB ARG 41 0.035 5.789 -11.909 446 2HB ARG 41 3HB ARG 41 1.305 4.699 -12.418 447 1HG ARG 41 2HG ARG 41 -1.596 3.977 -11.810 448 2HG ARG 41 3HG ARG 41 -0.861 4.221 -13.393 449 1HD ARG 41 2HD ARG 41 0.713 2.217 -12.791 450 2HD ARG 41 3HD ARG 41 -0.411 1.910 -11.487 451 HE ARG 41 HE ARG 41 -2.020 1.180 -12.951 452 1HH1 ARG 41 2HH2 ARG 41 0.590 2.677 -14.784 453 2HH1 ARG 41 1HH2 ARG 41 0.045 2.129 -16.339 454 1HH2 ARG 41 2HH1 ARG 41 -2.819 0.477 -15.018 455 2HH2 ARG 41 1HH1 ARG 41 -1.953 0.865 -16.463 456 QB ARG 41 QB ARG 41 0.669 5.244 -12.163 457 QG ARG 41 QG ARG 41 -1.228 4.099 -12.602 458 QD ARG 41 QD ARG 41 0.151 2.063 -12.139 459 QH1 ARG 41 QH2 ARG 41 0.317 2.403 -15.561 460 QH2 ARG 41 QH1 ARG 41 -2.386 0.671 -15.740 461 HA PRO 42 HA PRO 42 3.443 1.790 -9.000 462 1HB PRO 42 2HB PRO 42 2.248 0.104 -7.084 463 2HB PRO 42 3HB PRO 42 3.306 1.518 -6.810 464 1HG PRO 42 2HG PRO 42 0.377 1.310 -6.507 465 2HG PRO 42 3HG PRO 42 1.494 2.457 -5.741 466 1HD PRO 42 2HD PRO 42 -0.230 3.066 -7.877 467 2HD PRO 42 3HD PRO 42 1.196 4.022 -7.434 468 QB PRO 42 QB PRO 42 2.776 0.811 -6.947 469 QG PRO 42 QG PRO 42 0.935 1.884 -6.123 470 QD PRO 42 QD PRO 42 0.483 3.544 -7.656 471 NH1 ARG 43 NH2 ARG 43 5.262 -4.609 -16.384 472 NH2 ARG 43 NH1 ARG 43 6.078 -6.524 -15.376 473 H ARG 43 HN ARG 43 3.966 -0.051 -10.185 474 HA ARG 43 HA ARG 43 2.058 -1.308 -11.890 475 1HB ARG 43 2HB ARG 43 4.421 -1.382 -12.388 476 2HB ARG 43 3HB ARG 43 4.763 -2.316 -10.923 477 1HG ARG 43 2HG ARG 43 4.084 -4.283 -11.803 478 2HG ARG 43 3HG ARG 43 2.712 -3.592 -12.659 479 1HD ARG 43 2HD ARG 43 3.792 -3.241 -14.575 480 2HD ARG 43 3HD ARG 43 5.354 -2.849 -13.822 481 HE ARG 43 HE ARG 43 5.154 -5.492 -13.277 482 1HH1 ARG 43 2HH2 ARG 43 4.798 -3.717 -16.313 483 2HH1 ARG 43 1HH2 ARG 43 5.552 -4.931 -17.296 484 1HH2 ARG 43 2HH1 ARG 43 6.253 -7.082 -14.551 485 2HH2 ARG 43 1HH1 ARG 43 6.411 -6.874 -16.263 486 QB ARG 43 QB ARG 43 4.592 -1.849 -11.655 487 QG ARG 43 QG ARG 43 3.398 -3.938 -12.232 488 QD ARG 43 QD ARG 43 4.572 -3.045 -14.198 489 QH1 ARG 43 QH2 ARG 43 5.175 -4.324 -16.805 490 QH2 ARG 43 QH1 ARG 43 6.331 -6.978 -15.407 491 H PHE 44 HN PHE 44 3.180 -1.981 -8.627 492 HA PHE 44 HA PHE 44 1.578 -4.391 -8.335 493 1HB PHE 44 2HB PHE 44 2.491 -4.293 -6.009 494 2HB PHE 44 3HB PHE 44 3.722 -4.297 -7.246 495 HD1 PHE 44 1HD PHE 44 1.946 -2.166 -4.775 496 HD2 PHE 44 2HD PHE 44 5.334 -2.488 -7.408 497 HE1 PHE 44 1HE PHE 44 2.910 -0.141 -3.765 498 HE2 PHE 44 2HE PHE 44 6.255 -0.385 -6.470 499 HZ PHE 44 HZ PHE 44 5.029 0.820 -4.663 500 QB PHE 44 QB PHE 44 3.106 -4.295 -6.628 501 QR PHE 44 QR PHE 44 4.111 -1.295 -5.605 502 H LEU 45 HN LEU 45 0.187 -1.660 -8.920 503 HA LEU 45 HA LEU 45 -1.430 -1.084 -6.714 504 1HB LEU 45 2HB LEU 45 -1.839 -0.986 -9.693 505 2HB LEU 45 3HB LEU 45 -3.283 -0.886 -8.687 506 HG LEU 45 HG LEU 45 -0.905 0.972 -8.502 507 1HD1 LEU 45 2HD1 LEU 45 -2.412 1.124 -10.572 508 2HD1 LEU 45 3HD1 LEU 45 -3.700 1.638 -9.475 509 3HD1 LEU 45 1HD1 LEU 45 -2.224 2.603 -9.609 510 1HD2 LEU 45 3HD2 LEU 45 -3.479 0.821 -6.909 511 2HD2 LEU 45 1HD2 LEU 45 -1.835 1.035 -6.316 512 3HD2 LEU 45 2HD2 LEU 45 -2.636 2.364 -7.152 513 QB LEU 45 QB LEU 45 -2.561 -0.936 -9.189 514 QD1 LEU 45 QD1 LEU 45 -2.778 1.788 -9.885 515 QD2 LEU 45 QD2 LEU 45 -2.650 1.406 -6.793 516 QQD LEU 45 QQD LEU 45 -2.714 1.598 -8.339 517 HA PRO 46 HA PRO 46 -4.587 -4.459 -7.661 518 1HB PRO 46 2HB PRO 46 -3.917 -6.695 -9.120 519 2HB PRO 46 3HB PRO 46 -4.653 -5.221 -9.804 520 1HG PRO 46 2HG PRO 46 -1.758 -6.050 -9.850 521 2HG PRO 46 3HG PRO 46 -2.715 -5.280 -11.143 522 1HD PRO 46 2HD PRO 46 -0.983 -3.952 -9.474 523 2HD PRO 46 3HD PRO 46 -2.384 -3.151 -10.217 524 QB PRO 46 QB PRO 46 -4.285 -5.958 -9.463 525 QG PRO 46 QG PRO 46 -2.237 -5.665 -10.497 526 QD PRO 46 QD PRO 46 -1.684 -3.552 -9.846 527 H GLU 47 HN GLU 47 -1.218 -5.689 -7.632 528 HA GLU 47 HA GLU 47 -1.480 -7.803 -5.822 529 1HB GLU 47 2HB GLU 47 0.792 -5.807 -6.158 530 2HB GLU 47 3HB GLU 47 0.952 -7.391 -5.408 531 1HG GLU 47 2HG GLU 47 0.697 -8.544 -7.447 532 2HG GLU 47 3HG GLU 47 -0.035 -7.179 -8.288 533 QB GLU 47 QB GLU 47 0.871 -6.599 -5.783 534 QG GLU 47 QG GLU 47 0.331 -7.861 -7.868 535 H LEU 48 HN LEU 48 -0.813 -4.328 -5.167 536 HA LEU 48 HA LEU 48 -0.715 -4.543 -2.349 537 1HB LEU 48 2HB LEU 48 0.212 -2.685 -3.626 538 2HB LEU 48 3HB LEU 48 -1.402 -2.179 -4.138 539 HG LEU 48 HG LEU 48 -1.949 -1.746 -1.717 540 1HD1 LEU 48 2HD1 LEU 48 0.995 -2.347 -1.336 541 2HD1 LEU 48 3HD1 LEU 48 -0.039 -1.539 -0.132 542 3HD1 LEU 48 1HD1 LEU 48 -0.385 -3.213 -0.597 543 1HD2 LEU 48 3HD2 LEU 48 -1.116 0.071 -3.248 544 2HD2 LEU 48 1HD2 LEU 48 -0.617 0.326 -1.566 545 3HD2 LEU 48 2HD2 LEU 48 0.542 -0.314 -2.748 546 QB LEU 48 QB LEU 48 -0.595 -2.432 -3.882 547 QD1 LEU 48 QD1 LEU 48 0.191 -2.366 -0.689 548 QD2 LEU 48 QD2 LEU 48 -0.397 0.027 -2.520 549 QQD LEU 48 QQD LEU 48 -0.103 -1.169 -1.605 550 H ALA 49 HN ALA 49 -3.370 -3.536 -4.553 551 HA ALA 49 HA ALA 49 -5.377 -3.069 -2.649 552 1HB ALA 49 3HB ALA 49 -5.477 -4.063 -5.515 553 2HB ALA 49 1HB ALA 49 -6.930 -3.678 -4.587 554 3HB ALA 49 2HB ALA 49 -5.721 -2.416 -4.889 555 QB ALA 49 QB ALA 49 -6.043 -3.386 -4.997 556 H SER 50 HN SER 50 -4.610 -6.189 -4.298 557 HA SER 50 HA SER 50 -6.470 -7.773 -2.843 558 1HB SER 50 2HB SER 50 -3.825 -8.440 -4.204 559 2HB SER 50 3HB SER 50 -4.923 -9.655 -3.515 560 HG SER 50 HG SER 50 -5.293 -9.202 -5.780 561 QB SER 50 QB SER 50 -4.374 -9.047 -3.859 562 H ALA 51 HN ALA 51 -2.954 -7.254 -2.266 563 HA ALA 51 HA ALA 51 -2.625 -8.770 0.041 564 1HB ALA 51 1HB ALA 51 -1.292 -6.222 -0.943 565 2HB ALA 51 2HB ALA 51 -0.720 -7.078 0.475 566 3HB ALA 51 3HB ALA 51 -0.717 -7.897 -1.101 567 QB ALA 51 QB ALA 51 -0.910 -7.065 -0.523 568 H LEU 52 HN LEU 52 -3.869 -5.472 -0.256 569 HA LEU 52 HA LEU 52 -4.174 -5.139 2.620 570 1HB LEU 52 2HB LEU 52 -4.641 -3.392 0.200 571 2HB LEU 52 3HB LEU 52 -5.181 -2.917 1.806 572 HG LEU 52 HG LEU 52 -2.320 -3.387 0.971 573 1HD1 LEU 52 1HD1 LEU 52 -3.341 -1.262 0.214 574 2HD1 LEU 52 2HD1 LEU 52 -3.842 -0.900 1.878 575 3HD1 LEU 52 3HD1 LEU 52 -2.116 -0.970 1.464 576 1HD2 LEU 52 1HD2 LEU 52 -3.614 -2.906 3.685 577 2HD2 LEU 52 2HD2 LEU 52 -2.372 -4.082 3.270 578 3HD2 LEU 52 3HD2 LEU 52 -1.955 -2.365 3.376 579 QB LEU 52 QB LEU 52 -4.911 -3.154 1.003 580 QD1 LEU 52 QD1 LEU 52 -3.100 -1.044 1.185 581 QD2 LEU 52 QD2 LEU 52 -2.646 -3.117 3.443 582 QQD LEU 52 QQD LEU 52 -2.873 -2.081 2.314 583 H GLY 53 HN GLY 53 -6.189 -6.131 -0.038 584 1HA GLY 53 1HA GLY 53 -8.391 -6.552 -0.265 585 2HA GLY 53 2HA GLY 53 -8.559 -6.623 1.497 586 QA GLY 53 QA GLY 53 -8.475 -6.588 0.616 587 H VAL 54 HN VAL 54 -7.973 -4.237 -1.134 588 HA VAL 54 HA VAL 54 -10.273 -2.623 -0.351 589 HB VAL 54 HB VAL 54 -8.917 -0.483 -0.494 590 1HG1 VAL 54 1HG1 VAL 54 -9.806 -1.360 1.654 591 2HG1 VAL 54 2HG1 VAL 54 -8.228 -2.140 1.936 592 3HG1 VAL 54 3HG1 VAL 54 -8.341 -0.375 1.809 593 1HG2 VAL 54 1HG2 VAL 54 -6.826 -1.487 -1.438 594 2HG2 VAL 54 2HG2 VAL 54 -6.533 -0.528 0.020 595 3HG2 VAL 54 3HG2 VAL 54 -6.565 -2.288 0.121 596 QG1 VAL 54 QG1 VAL 54 -8.792 -1.292 1.799 597 QG2 VAL 54 QG2 VAL 54 -6.641 -1.435 -0.433 598 QQG VAL 54 QQG VAL 54 -7.716 -1.363 0.684 599 H SER 55 HN SER 55 -10.411 -0.716 -2.110 600 HA SER 55 HA SER 55 -9.979 -2.050 -4.693 601 1HB SER 55 2HB SER 55 -11.593 -0.434 -5.486 602 2HB SER 55 3HB SER 55 -12.216 -1.299 -4.096 603 HG SER 55 HG SER 55 -12.082 1.265 -4.327 604 QB SER 55 QB SER 55 -11.904 -0.867 -4.791 605 H VAL 56 HN VAL 56 -8.934 -1.051 -6.421 606 HA VAL 56 HA VAL 56 -6.551 0.391 -5.757 607 HB VAL 56 HB VAL 56 -7.902 -0.406 -8.376 608 1HG1 VAL 56 2HG1 VAL 56 -5.394 1.202 -7.907 609 2HG1 VAL 56 3HG1 VAL 56 -5.589 0.180 -9.358 610 3HG1 VAL 56 1HG1 VAL 56 -6.725 1.502 -9.044 611 1HG2 VAL 56 3HG2 VAL 56 -6.919 -2.234 -7.012 612 2HG2 VAL 56 1HG2 VAL 56 -6.012 -1.992 -8.508 613 3HG2 VAL 56 2HG2 VAL 56 -5.365 -1.367 -6.982 614 QG1 VAL 56 QG1 VAL 56 -5.902 0.961 -8.770 615 QG2 VAL 56 QG2 VAL 56 -6.099 -1.864 -7.501 616 QQG VAL 56 QQG VAL 56 -6.001 -0.452 -8.136 617 H ASP 57 HN ASP 57 -9.599 1.363 -7.313 618 HA ASP 57 HA ASP 57 -9.162 4.101 -7.801 619 1HB ASP 57 2HB ASP 57 -11.688 4.168 -7.167 620 2HB ASP 57 3HB ASP 57 -11.193 3.139 -8.526 621 QB ASP 57 QB ASP 57 -11.441 3.653 -7.847 622 CH2 TRP 58 CH2 TRP 58 -7.252 2.572 2.254 623 H TRP 58 HN TRP 58 -10.033 2.421 -4.726 624 HA TRP 58 HA TRP 58 -10.186 4.896 -3.288 625 1HB TRP 58 2HB TRP 58 -11.408 3.043 -2.440 626 2HB TRP 58 3HB TRP 58 -9.967 2.038 -2.346 627 HD1 TRP 58 HD1 TRP 58 -11.834 4.713 -0.354 628 HE1 TRP 58 HE1 TRP 58 -10.763 5.014 1.912 629 HE3 TRP 58 HE3 TRP 58 -7.727 1.768 -1.030 630 HZ2 TRP 58 HZ2 TRP 58 -8.560 3.826 3.423 631 HZ3 TRP 58 HZ3 TRP 58 -6.018 1.613 0.787 632 HH2 TRP 58 HH2 TRP 58 -6.448 2.575 2.975 633 QB TRP 58 QB TRP 58 -10.687 2.541 -2.393 634 H LEU 59 HN LEU 59 -7.629 2.470 -3.685 635 HA LEU 59 HA LEU 59 -5.622 3.845 -2.201 636 1HB LEU 59 2HB LEU 59 -5.642 1.714 -4.305 637 2HB LEU 59 3HB LEU 59 -4.118 2.512 -4.016 638 HG LEU 59 HG LEU 59 -5.760 1.116 -1.867 639 1HD1 LEU 59 3HD1 LEU 59 -3.716 0.184 -3.824 640 2HD1 LEU 59 1HD1 LEU 59 -3.460 -0.300 -2.146 641 3HD1 LEU 59 2HD1 LEU 59 -4.975 -0.711 -2.953 642 1HD2 LEU 59 1HD2 LEU 59 -2.957 2.326 -1.799 643 2HD2 LEU 59 2HD2 LEU 59 -4.349 2.854 -0.830 644 3HD2 LEU 59 3HD2 LEU 59 -3.646 1.276 -0.540 645 QB LEU 59 QB LEU 59 -4.880 2.113 -4.160 646 QD1 LEU 59 QD1 LEU 59 -4.051 -0.275 -2.975 647 QD2 LEU 59 QD2 LEU 59 -3.651 2.152 -1.056 648 QQD LEU 59 QQD LEU 59 -3.851 0.938 -2.015 649 H LEU 60 HN LEU 60 -6.869 4.585 -5.394 650 HA LEU 60 HA LEU 60 -4.699 6.558 -5.826 651 1HB LEU 60 2HB LEU 60 -7.271 5.927 -7.272 652 2HB LEU 60 3HB LEU 60 -6.180 7.233 -7.766 653 HG LEU 60 HG LEU 60 -5.197 4.367 -7.451 654 1HD1 LEU 60 2HD1 LEU 60 -7.051 5.363 -9.463 655 2HD1 LEU 60 3HD1 LEU 60 -5.511 4.920 -10.213 656 3HD1 LEU 60 1HD1 LEU 60 -6.386 3.742 -9.226 657 1HD2 LEU 60 2HD2 LEU 60 -3.447 6.134 -7.584 658 2HD2 LEU 60 3HD2 LEU 60 -3.444 5.091 -9.006 659 3HD2 LEU 60 1HD2 LEU 60 -4.166 6.712 -9.101 660 QB LEU 60 QB LEU 60 -6.726 6.580 -7.519 661 QD1 LEU 60 QD1 LEU 60 -6.316 4.675 -9.634 662 QD2 LEU 60 QD2 LEU 60 -3.686 5.978 -8.564 663 QQD LEU 60 QQD LEU 60 -5.001 5.327 -9.099 664 H ASN 61 HN ASN 61 -8.238 6.771 -5.201 665 HA ASN 61 HA ASN 61 -7.930 9.270 -3.690 666 1HB ASN 61 2HB ASN 61 -9.325 10.584 -5.133 667 2HB ASN 61 3HB ASN 61 -7.862 10.101 -5.986 668 1HD2 ASN 61 2HD2 ASN 61 -9.767 7.821 -8.185 669 2HD2 ASN 61 1HD2 ASN 61 -8.272 7.823 -7.268 670 QB ASN 61 QB ASN 61 -8.593 10.343 -5.559 671 QD2 ASN 61 QD2 ASN 61 -9.019 7.822 -7.726 672 H GLY 62 HN GLY 62 -8.787 7.279 -2.292 673 1HA GLY 62 1HA GLY 62 -11.702 7.792 -2.062 674 2HA GLY 62 2HA GLY 62 -11.056 6.170 -1.892 675 QA GLY 62 QA GLY 62 -11.380 6.981 -1.977 676 H THR 63 HN THR 63 -11.512 9.217 -0.493 677 HA THR 63 HA THR 63 -10.948 7.982 2.127 678 HB THR 63 HB THR 63 -9.772 9.772 3.031 679 HG1 THR 63 1HG THR 63 -10.837 11.371 1.491 680 1HG2 THR 63 1HG2 THR 63 -8.322 8.203 1.821 681 2HG2 THR 63 2HG2 THR 63 -8.460 9.208 0.342 682 3HG2 THR 63 3HG2 THR 63 -7.649 9.847 1.772 683 QG2 THR 63 QG2 THR 63 -8.144 9.086 1.312 684 H SER 64 HN SER 64 -12.961 8.025 3.093 685 HA SER 64 HA SER 64 -14.435 10.529 3.235 686 1HB SER 64 2HB SER 64 -15.312 9.525 1.121 687 2HB SER 64 3HB SER 64 -15.729 8.042 2.006 688 HG SER 64 HG SER 64 -17.269 9.170 3.146 689 QB SER 64 QB SER 64 -15.520 8.784 1.563 690 H ASP 65 HN ASP 65 -16.196 10.319 4.774 691 HA ASP 65 HA ASP 65 -15.535 8.543 7.024 692 1HB ASP 65 2HB ASP 65 -17.664 10.712 6.752 693 2HB ASP 65 3HB ASP 65 -17.169 9.909 8.246 694 QB ASP 65 QB ASP 65 -17.416 10.311 7.499 695 H SER 66 HN SER 66 -17.254 7.368 8.060 696 HA SER 66 HA SER 66 -18.924 5.918 8.286 697 1HB SER 66 2HB SER 66 -20.289 7.190 5.892 698 2HB SER 66 3HB SER 66 -21.030 6.202 7.165 699 HG SER 66 HG SER 66 -20.392 7.819 8.671 700 QB SER 66 QB SER 66 -20.659 6.697 6.528 701 H ASN 67 HN ASN 67 -19.002 3.774 7.878 702 HA ASN 67 HA ASN 67 -18.043 2.786 5.205 703 1HB ASN 67 2HB ASN 67 -17.132 1.811 7.927 704 2HB ASN 67 3HB ASN 67 -16.661 1.152 6.352 705 1HD2 ASN 67 2HD2 ASN 67 -14.464 3.929 5.594 706 2HD2 ASN 67 1HD2 ASN 67 -15.470 2.719 4.821 707 QB ASN 67 QB ASN 67 -16.896 1.482 7.139 708 QD2 ASN 67 QD2 ASN 67 -14.967 3.324 5.207 709 H VAL 68 HN VAL 68 -20.273 2.583 4.826 710 HA VAL 68 HA VAL 68 -22.301 1.658 4.751 711 HB VAL 68 HB VAL 68 -22.329 -0.736 4.291 712 1HG1 VAL 68 1HG1 VAL 68 -21.725 0.889 2.550 713 2HG1 VAL 68 2HG1 VAL 68 -20.009 0.737 2.979 714 3HG1 VAL 68 3HG1 VAL 68 -20.886 -0.653 2.316 715 1HG2 VAL 68 2HG2 VAL 68 -20.573 -1.506 5.932 716 2HG2 VAL 68 3HG2 VAL 68 -20.353 -2.113 4.283 717 3HG2 VAL 68 1HG2 VAL 68 -19.334 -0.791 4.869 718 QG1 VAL 68 QG1 VAL 68 -20.873 0.324 2.615 719 QG2 VAL 68 QG2 VAL 68 -20.087 -1.470 5.028 720 QQG VAL 68 QQG VAL 68 -20.480 -0.572 3.822 721 NH1 ARG 69 NH2 ARG 69 -18.071 -2.464 10.897 722 NH2 ARG 69 NH1 ARG 69 -17.312 -1.777 8.815 723 H ARG 69 HN ARG 69 -21.862 2.625 7.205 724 HA ARG 69 HA ARG 69 -23.604 1.315 9.055 725 1HB ARG 69 2HB ARG 69 -20.570 1.431 9.405 726 2HB ARG 69 3HB ARG 69 -21.642 1.592 10.794 727 1HG ARG 69 2HG ARG 69 -22.568 -0.567 10.557 728 2HG ARG 69 3HG ARG 69 -21.834 -0.834 8.974 729 1HD ARG 69 2HD ARG 69 -20.188 -0.383 11.479 730 2HD ARG 69 3HD ARG 69 -20.707 -1.978 10.879 731 HE ARG 69 HE ARG 69 -19.424 -0.397 8.797 732 1HH1 ARG 69 2HH2 ARG 69 -18.760 -2.393 11.631 733 2HH1 ARG 69 1HH2 ARG 69 -17.281 -3.076 11.036 734 1HH2 ARG 69 2HH1 ARG 69 -17.455 -1.232 7.975 735 2HH2 ARG 69 1HH1 ARG 69 -16.488 -2.355 8.892 736 QB ARG 69 QB ARG 69 -21.106 1.512 10.100 737 QG ARG 69 QG ARG 69 -22.200 -0.700 9.765 738 QD ARG 69 QD ARG 69 -20.447 -1.180 11.180 739 QH1 ARG 69 QH2 ARG 69 -18.021 -2.734 11.334 740 QH2 ARG 69 QH1 ARG 69 -16.971 -1.793 8.433 Start of MODEL 10 Raw file had 740 H/Q atoms Start of MODEL 10 1 H SER 1 HN SER 1 -1.147 11.247 0.228 2 HA SER 1 HA SER 1 -1.828 10.806 2.421 3 1HB SER 1 2HB SER 1 -4.632 10.608 1.349 4 2HB SER 1 3HB SER 1 -4.083 10.697 3.045 5 HG SER 1 HG SER 1 -4.199 12.859 2.664 6 QB SER 1 QB SER 1 -4.356 10.653 2.197 7 H ILE 2 HN ILE 2 -1.604 8.965 -0.201 8 HA ILE 2 HA ILE 2 -2.660 6.482 0.502 9 HB ILE 2 HB ILE 2 0.122 6.805 -0.668 10 1HG1 ILE 2 2HG1 ILE 2 -1.596 6.192 -2.764 11 2HG1 ILE 2 3HG1 ILE 2 -2.568 7.341 -1.860 12 1HG2 ILE 2 3HG2 ILE 2 -1.933 4.594 -0.427 13 2HG2 ILE 2 1HG2 ILE 2 -0.674 4.517 -1.643 14 3HG2 ILE 2 2HG2 ILE 2 -0.236 4.584 0.056 15 1HD1 ILE 2 1HD1 ILE 2 -0.621 8.957 -1.967 16 2HD1 ILE 2 2HD1 ILE 2 0.296 7.735 -2.863 17 3HD1 ILE 2 3HD1 ILE 2 -1.160 8.443 -3.576 18 QG1 ILE 2 QG1 ILE 2 -2.082 6.766 -2.312 19 QG2 ILE 2 QG2 ILE 2 -0.948 4.565 -0.672 20 QD1 ILE 2 QD1 ILE 2 -0.495 8.379 -2.802 21 H SER 3 HN SER 3 0.065 8.224 1.968 22 HA SER 3 HA SER 3 1.147 6.263 3.606 23 1HB SER 3 2HB SER 3 1.868 8.688 3.520 24 2HB SER 3 3HB SER 3 0.475 9.101 4.505 25 HG SER 3 HG SER 3 2.658 7.414 5.172 26 QB SER 3 QB SER 3 1.172 8.894 4.012 27 H SER 4 HN SER 4 -1.744 8.280 4.400 28 HA SER 4 HA SER 4 -2.107 6.911 6.936 29 1HB SER 4 2HB SER 4 -3.816 8.915 5.435 30 2HB SER 4 3HB SER 4 -4.295 8.173 6.968 31 HG SER 4 HG SER 4 -1.822 9.527 6.580 32 QB SER 4 QB SER 4 -4.055 8.544 6.202 33 NH1 ARG 5 NH2 ARG 5 -5.470 8.709 -1.287 34 NH2 ARG 5 NH1 ARG 5 -6.653 7.176 -2.528 35 H ARG 5 HN ARG 5 -3.613 6.672 3.697 36 HA ARG 5 HA ARG 5 -5.680 4.848 4.437 37 1HB ARG 5 2HB ARG 5 -4.157 5.321 1.889 38 2HB ARG 5 3HB ARG 5 -5.357 4.174 1.876 39 1HG ARG 5 2HG ARG 5 -7.102 5.759 1.977 40 2HG ARG 5 3HG ARG 5 -6.205 6.757 3.099 41 1HD ARG 5 2HD ARG 5 -6.363 8.093 1.278 42 2HD ARG 5 3HD ARG 5 -4.736 7.410 1.099 43 HE ARG 5 HE ARG 5 -6.568 5.805 -0.386 44 1HH1 ARG 5 2HH2 ARG 5 -5.110 8.987 -0.392 45 2HH1 ARG 5 1HH2 ARG 5 -5.467 9.355 -2.065 46 1HH2 ARG 5 2HH1 ARG 5 -7.229 6.338 -2.603 47 2HH2 ARG 5 1HH1 ARG 5 -6.559 7.747 -3.359 48 QB ARG 5 QB ARG 5 -4.757 4.747 1.883 49 QG ARG 5 QG ARG 5 -6.653 6.258 2.538 50 QD ARG 5 QD ARG 5 -5.550 7.752 1.189 51 QH1 ARG 5 QH2 ARG 5 -5.289 9.171 -1.229 52 QH2 ARG 5 QH1 ARG 5 -6.894 7.043 -2.982 53 H VAL 6 HN VAL 6 -2.388 4.170 3.095 54 HA VAL 6 HA VAL 6 -2.576 1.366 3.415 55 HB VAL 6 HB VAL 6 -0.225 3.264 3.143 56 1HG1 VAL 6 1HG1 VAL 6 -0.139 0.356 3.886 57 2HG1 VAL 6 2HG1 VAL 6 0.924 0.888 2.582 58 3HG1 VAL 6 3HG1 VAL 6 1.016 1.659 4.172 59 1HG2 VAL 6 3HG2 VAL 6 -1.517 1.174 1.335 60 2HG2 VAL 6 1HG2 VAL 6 -1.694 2.923 1.197 61 3HG2 VAL 6 2HG2 VAL 6 -0.121 2.172 0.904 62 QG1 VAL 6 QG1 VAL 6 0.600 0.968 3.547 63 QG2 VAL 6 QG2 VAL 6 -1.110 2.090 1.145 64 QQG VAL 6 QQG VAL 6 -0.255 1.529 2.346 65 H LYS 7 HN LYS 7 -0.922 3.772 5.537 66 HA LYS 7 HA LYS 7 -0.093 2.084 7.550 67 1HB LYS 7 2HB LYS 7 0.399 4.494 7.440 68 2HB LYS 7 3HB LYS 7 -1.301 4.870 7.770 69 1HG LYS 7 2HG LYS 7 -0.958 3.677 10.039 70 2HG LYS 7 3HG LYS 7 0.763 3.695 9.651 71 1HD LYS 7 2HD LYS 7 0.785 5.763 10.605 72 2HD LYS 7 3HD LYS 7 0.020 6.315 9.106 73 1HE LYS 7 2HE LYS 7 -2.247 5.652 10.265 74 2HE LYS 7 3HE LYS 7 -1.296 5.554 11.760 75 1HZ LYS 7 2HZ LYS 7 -0.702 7.876 11.429 76 2HZ LYS 7 3HZ LYS 7 -1.601 7.939 10.049 77 3HZ LYS 7 1HZ LYS 7 -2.331 7.684 11.496 78 QB LYS 7 QB LYS 7 -0.451 4.681 7.605 79 QG LYS 7 QG LYS 7 -0.097 3.686 9.846 80 QD LYS 7 QD LYS 7 0.403 6.039 9.856 81 QE LYS 7 QE LYS 7 -1.771 5.604 11.013 82 QZ LYS 7 QZ LYS 7 -1.545 7.833 10.991 83 H SER 8 HN SER 8 -3.268 3.806 7.493 84 HA SER 8 HA SER 8 -4.345 2.791 9.867 85 1HB SER 8 2HB SER 8 -5.334 4.625 8.516 86 2HB SER 8 3HB SER 8 -5.806 3.456 7.267 87 HG SER 8 HG SER 8 -7.559 3.352 8.475 88 QB SER 8 QB SER 8 -5.570 4.041 7.892 89 H LYS 9 HN LYS 9 -4.719 1.480 6.518 90 HA LYS 9 HA LYS 9 -6.236 -0.752 7.401 91 1HB LYS 9 2HB LYS 9 -6.117 0.237 5.077 92 2HB LYS 9 3HB LYS 9 -4.557 -0.545 4.872 93 1HG LYS 9 2HG LYS 9 -6.410 -1.761 3.852 94 2HG LYS 9 3HG LYS 9 -5.618 -2.763 5.078 95 1HD LYS 9 2HD LYS 9 -7.493 -2.501 6.606 96 2HD LYS 9 3HD LYS 9 -8.064 -1.079 5.730 97 1HE LYS 9 2HE LYS 9 -9.572 -2.917 5.304 98 2HE LYS 9 3HE LYS 9 -8.754 -2.412 3.828 99 1HZ LYS 9 3HZ LYS 9 -7.245 -4.367 4.235 100 2HZ LYS 9 1HZ LYS 9 -8.368 -4.868 5.330 101 3HZ LYS 9 2HZ LYS 9 -8.768 -4.620 3.729 102 QB LYS 9 QB LYS 9 -5.337 -0.154 4.975 103 QG LYS 9 QG LYS 9 -6.014 -2.262 4.466 104 QD LYS 9 QD LYS 9 -7.778 -1.789 6.168 105 QE LYS 9 QE LYS 9 -9.163 -2.665 4.566 106 QZ LYS 9 QZ LYS 9 -8.127 -4.618 4.432 107 NH1 ARG 10 NH2 ARG 10 1.765 0.885 9.613 108 NH2 ARG 10 NH1 ARG 10 2.794 2.119 7.940 109 H ARG 10 HN ARG 10 -2.745 -0.239 7.020 110 HA ARG 10 HA ARG 10 -1.810 -2.864 7.376 111 1HB ARG 10 2HB ARG 10 -0.589 -0.447 6.977 112 2HB ARG 10 3HB ARG 10 -0.337 -0.624 8.717 113 1HG ARG 10 2HG ARG 10 0.495 -3.046 7.960 114 2HG ARG 10 3HG ARG 10 0.694 -2.242 6.403 115 1HD ARG 10 2HD ARG 10 2.050 -1.642 9.062 116 2HD ARG 10 3HD ARG 10 2.750 -2.107 7.524 117 HE ARG 10 HE ARG 10 2.650 -0.005 6.647 118 1HH1 ARG 10 2HH2 ARG 10 1.344 0.020 9.920 119 2HH1 ARG 10 1HH2 ARG 10 1.836 1.643 10.273 120 1HH2 ARG 10 2HH1 ARG 10 3.331 2.156 7.078 121 2HH2 ARG 10 1HH1 ARG 10 2.816 2.942 8.520 122 QB ARG 10 QB ARG 10 -0.463 -0.536 7.847 123 QG ARG 10 QG ARG 10 0.595 -2.644 7.182 124 QD ARG 10 QD ARG 10 2.400 -1.875 8.293 125 QH1 ARG 10 QH2 ARG 10 1.589 0.831 10.096 126 QH2 ARG 10 QH1 ARG 10 3.073 2.549 7.798 127 H ILE 11 HN ILE 11 -2.538 -0.320 9.826 128 HA ILE 11 HA ILE 11 -1.968 -1.916 12.146 129 HB ILE 11 HB ILE 11 -3.827 0.463 11.781 130 1HG1 ILE 11 2HG1 ILE 11 -2.178 1.330 13.559 131 2HG1 ILE 11 3HG1 ILE 11 -1.116 -0.011 13.114 132 1HG2 ILE 11 1HG2 ILE 11 -3.321 -1.193 14.273 133 2HG2 ILE 11 2HG2 ILE 11 -4.015 0.430 14.299 134 3HG2 ILE 11 3HG2 ILE 11 -4.885 -0.863 13.514 135 1HD1 ILE 11 3HD1 ILE 11 -2.201 2.077 11.184 136 2HD1 ILE 11 1HD1 ILE 11 -0.658 2.242 12.037 137 3HD1 ILE 11 2HD1 ILE 11 -0.868 0.914 10.892 138 QG1 ILE 11 QG1 ILE 11 -1.647 0.660 13.336 139 QG2 ILE 11 QG2 ILE 11 -4.074 -0.542 14.028 140 QD1 ILE 11 QD1 ILE 11 -1.242 1.744 11.371 141 H GLN 12 HN GLN 12 -5.066 -1.261 10.453 142 HA GLN 12 HA GLN 12 -6.598 -2.954 12.067 143 1HB GLN 12 2HB GLN 12 -7.229 -1.265 10.093 144 2HB GLN 12 3HB GLN 12 -7.336 -2.763 9.160 145 1HG GLN 12 2HG GLN 12 -8.922 -3.655 10.900 146 2HG GLN 12 3HG GLN 12 -8.787 -2.123 11.774 147 1HE2 GLN 12 2HE2 GLN 12 -11.263 -0.556 9.809 148 2HE2 GLN 12 1HE2 GLN 12 -10.288 -0.535 11.266 149 QB GLN 12 QB GLN 12 -7.283 -2.015 9.626 150 QG GLN 12 QG GLN 12 -8.855 -2.889 11.337 151 QE2 GLN 12 QE2 GLN 12 -10.776 -0.546 10.537 152 H LEU 13 HN LEU 13 -4.668 -3.816 9.249 153 HA LEU 13 HA LEU 13 -5.339 -6.652 9.183 154 1HB LEU 13 2HB LEU 13 -3.339 -4.779 7.905 155 2HB LEU 13 3HB LEU 13 -2.973 -6.474 7.894 156 HG LEU 13 HG LEU 13 -4.120 -5.575 5.855 157 1HD1 LEU 13 1HD1 LEU 13 -3.993 -8.034 6.604 158 2HD1 LEU 13 2HD1 LEU 13 -5.704 -7.832 7.065 159 3HD1 LEU 13 3HD1 LEU 13 -5.200 -7.573 5.383 160 1HD2 LEU 13 3HD2 LEU 13 -6.588 -5.609 7.662 161 2HD2 LEU 13 1HD2 LEU 13 -5.943 -4.243 6.746 162 3HD2 LEU 13 2HD2 LEU 13 -6.599 -5.659 5.909 163 QB LEU 13 QB LEU 13 -3.156 -5.627 7.899 164 QD1 LEU 13 QD1 LEU 13 -4.966 -7.813 6.351 165 QD2 LEU 13 QD2 LEU 13 -6.377 -5.170 6.773 166 QQD LEU 13 QQD LEU 13 -5.671 -6.492 6.562 167 H GLY 14 HN GLY 14 -3.073 -4.678 11.012 168 1HA GLY 14 1HA GLY 14 -1.762 -5.207 12.791 169 2HA GLY 14 2HA GLY 14 -2.380 -6.870 12.764 170 QA GLY 14 QA GLY 14 -2.072 -6.039 12.778 171 H LEU 15 HN LEU 15 -0.875 -5.252 9.980 172 HA LEU 15 HA LEU 15 1.468 -7.141 10.169 173 1HB LEU 15 2HB LEU 15 0.194 -6.035 7.645 174 2HB LEU 15 3HB LEU 15 1.551 -7.166 7.750 175 HG LEU 15 HG LEU 15 -1.330 -7.734 8.551 176 1HD1 LEU 15 1HD1 LEU 15 -0.869 -7.651 6.104 177 2HD1 LEU 15 2HD1 LEU 15 0.426 -8.850 6.323 178 3HD1 LEU 15 3HD1 LEU 15 -1.264 -9.292 6.656 179 1HD2 LEU 15 3HD2 LEU 15 1.080 -9.589 8.666 180 2HD2 LEU 15 1HD2 LEU 15 0.147 -8.998 10.055 181 3HD2 LEU 15 2HD2 LEU 15 -0.613 -10.069 8.882 182 QB LEU 15 QB LEU 15 0.873 -6.600 7.698 183 QD1 LEU 15 QD1 LEU 15 -0.569 -8.598 6.361 184 QD2 LEU 15 QD2 LEU 15 0.205 -9.552 9.201 185 QQD LEU 15 QQD LEU 15 -0.182 -9.075 7.781 186 H ASN 16 HN ASN 16 3.262 -6.243 8.678 187 HA ASN 16 HA ASN 16 3.686 -3.327 9.229 188 1HB ASN 16 2HB ASN 16 6.034 -3.742 9.573 189 2HB ASN 16 3HB ASN 16 5.092 -4.712 10.715 190 1HD2 ASN 16 2HD2 ASN 16 5.714 -7.852 9.145 191 2HD2 ASN 16 1HD2 ASN 16 4.684 -6.912 10.149 192 QB ASN 16 QB ASN 16 5.563 -4.227 10.145 193 QD2 ASN 16 QD2 ASN 16 5.198 -7.383 9.647 194 H GLN 17 HN GLN 17 5.495 -2.562 7.828 195 HA GLN 17 HA GLN 17 4.556 -2.690 5.094 196 1HB GLN 17 2HB GLN 17 6.776 -1.193 6.476 197 2HB GLN 17 3HB GLN 17 6.663 -1.197 4.699 198 1HG GLN 17 2HG GLN 17 4.342 -0.254 4.942 199 2HG GLN 17 3HG GLN 17 4.590 -0.337 6.700 200 1HE2 GLN 17 2HE2 GLN 17 6.972 2.480 4.836 201 2HE2 GLN 17 1HE2 GLN 17 6.634 1.007 3.970 202 QB GLN 17 QB GLN 17 6.720 -1.195 5.587 203 QG GLN 17 QG GLN 17 4.466 -0.296 5.821 204 QE2 GLN 17 QE2 GLN 17 6.803 1.743 4.402 205 H ALA 18 HN ALA 18 7.122 -4.422 6.812 206 HA ALA 18 HA ALA 18 8.585 -5.171 4.420 207 1HB ALA 18 3HB ALA 18 9.384 -5.120 6.950 208 2HB ALA 18 1HB ALA 18 8.718 -6.760 6.976 209 3HB ALA 18 2HB ALA 18 9.986 -6.349 5.825 210 QB ALA 18 QB ALA 18 9.362 -6.077 6.584 211 H GLU 19 HN GLU 19 6.314 -6.832 6.676 212 HA GLU 19 HA GLU 19 5.897 -9.190 5.134 213 1HB GLU 19 2HB GLU 19 4.172 -7.641 7.088 214 2HB GLU 19 3HB GLU 19 3.469 -8.950 6.141 215 1HG GLU 19 2HG GLU 19 5.088 -10.556 6.939 216 2HG GLU 19 3HG GLU 19 5.899 -9.334 7.920 217 QB GLU 19 QB GLU 19 3.821 -8.295 6.615 218 QG GLU 19 QG GLU 19 5.494 -9.946 7.430 219 H LEU 20 HN LEU 20 4.142 -6.039 5.044 220 HA LEU 20 HA LEU 20 2.405 -6.785 2.987 221 1HB LEU 20 2HB LEU 20 2.618 -4.564 4.476 222 2HB LEU 20 3HB LEU 20 3.501 -3.984 3.063 223 HG LEU 20 HG LEU 20 1.416 -4.838 1.715 224 1HD1 LEU 20 3HD1 LEU 20 0.433 -6.175 3.645 225 2HD1 LEU 20 1HD1 LEU 20 0.215 -4.667 4.529 226 3HD1 LEU 20 2HD1 LEU 20 -0.681 -4.967 3.028 227 1HD2 LEU 20 1HD2 LEU 20 2.078 -2.470 2.184 228 2HD2 LEU 20 2HD2 LEU 20 0.331 -2.691 2.067 229 3HD2 LEU 20 3HD2 LEU 20 1.098 -2.512 3.663 230 QB LEU 20 QB LEU 20 3.060 -4.274 3.770 231 QD1 LEU 20 QD1 LEU 20 -0.011 -5.269 3.734 232 QD2 LEU 20 QD2 LEU 20 1.169 -2.557 2.638 233 QQD LEU 20 QQD LEU 20 0.579 -3.913 3.185 234 H ALA 21 HN ALA 21 5.636 -5.221 2.647 235 HA ALA 21 HA ALA 21 5.762 -5.182 -0.132 236 1HB ALA 21 3HB ALA 21 7.955 -5.660 1.932 237 2HB ALA 21 1HB ALA 21 8.260 -5.426 0.207 238 3HB ALA 21 2HB ALA 21 7.497 -4.143 1.162 239 QB ALA 21 QB ALA 21 7.904 -5.076 1.100 240 H GLN 22 HN GLN 22 6.648 -7.883 2.080 241 HA GLN 22 HA GLN 22 7.429 -9.751 0.070 242 1HB GLN 22 2HB GLN 22 6.313 -10.044 2.874 243 2HB GLN 22 3HB GLN 22 6.667 -11.448 1.888 244 1HG GLN 22 2HG GLN 22 8.870 -9.423 1.996 245 2HG GLN 22 3HG GLN 22 8.442 -10.149 3.546 246 1HE2 GLN 22 2HE2 GLN 22 10.674 -12.762 2.730 247 2HE2 GLN 22 1HE2 GLN 22 10.356 -11.392 3.780 248 QB GLN 22 QB GLN 22 6.491 -10.746 2.381 249 QG GLN 22 QG GLN 22 8.656 -9.786 2.771 250 QE2 GLN 22 QE2 GLN 22 10.515 -12.078 3.256 251 H LYS 23 HN LYS 23 4.197 -9.095 1.487 252 HA LYS 23 HA LYS 23 2.816 -11.158 0.052 253 1HB LYS 23 2HB LYS 23 1.786 -8.520 1.136 254 2HB LYS 23 3HB LYS 23 0.769 -9.858 0.632 255 1HG LYS 23 2HG LYS 23 2.871 -10.327 2.773 256 2HG LYS 23 3HG LYS 23 1.427 -9.423 3.173 257 1HD LYS 23 2HD LYS 23 0.516 -11.787 1.825 258 2HD LYS 23 3HD LYS 23 1.881 -12.293 2.806 259 1HE LYS 23 2HE LYS 23 -0.059 -12.548 4.165 260 2HE LYS 23 3HE LYS 23 0.829 -11.177 4.823 261 1HZ LYS 23 3HZ LYS 23 -1.187 -10.555 2.837 262 2HZ LYS 23 1HZ LYS 23 -1.751 -11.140 4.267 263 3HZ LYS 23 2HZ LYS 23 -0.831 -9.777 4.239 264 QB LYS 23 QB LYS 23 1.278 -9.189 0.883 265 QG LYS 23 QG LYS 23 2.149 -9.875 2.973 266 QD LYS 23 QD LYS 23 1.198 -12.040 2.316 267 QE LYS 23 QE LYS 23 0.386 -11.862 4.494 268 QZ LYS 23 QZ LYS 23 -1.256 -10.490 3.781 269 H VAL 24 HN VAL 24 3.602 -7.780 -0.754 270 HA VAL 24 HA VAL 24 2.277 -7.791 -3.346 271 HB VAL 24 HB VAL 24 4.475 -6.044 -2.163 272 1HG1 VAL 24 2HG1 VAL 24 2.844 -5.686 -4.707 273 2HG1 VAL 24 3HG1 VAL 24 3.819 -4.420 -3.949 274 3HG1 VAL 24 1HG1 VAL 24 4.605 -5.858 -4.615 275 1HG2 VAL 24 1HG2 VAL 24 2.190 -5.954 -1.048 276 2HG2 VAL 24 2HG2 VAL 24 2.676 -4.461 -1.858 277 3HG2 VAL 24 3HG2 VAL 24 1.523 -5.570 -2.639 278 QG1 VAL 24 QG1 VAL 24 3.756 -5.321 -4.424 279 QG2 VAL 24 QG2 VAL 24 2.130 -5.328 -1.848 280 QQG VAL 24 QQG VAL 24 2.943 -5.325 -3.136 281 H GLY 25 HN GLY 25 5.477 -8.778 -2.159 282 1HA GLY 25 1HA GLY 25 6.990 -10.193 -3.214 283 2HA GLY 25 2HA GLY 25 6.090 -10.094 -4.736 284 QA GLY 25 QA GLY 25 6.540 -10.144 -3.975 285 H THR 26 HN THR 26 7.197 -7.449 -2.629 286 HA THR 26 HA THR 26 9.390 -6.736 -4.493 287 HB THR 26 HB THR 26 7.449 -5.309 -5.110 288 HG1 THR 26 1HG THR 26 8.727 -3.267 -4.634 289 1HG2 THR 26 3HG2 THR 26 6.906 -5.181 -2.350 290 2HG2 THR 26 1HG2 THR 26 7.564 -3.602 -2.712 291 3HG2 THR 26 2HG2 THR 26 6.164 -4.192 -3.613 292 QG2 THR 26 QG2 THR 26 6.878 -4.325 -2.892 293 H THR 27 HN THR 27 9.992 -4.398 -2.979 294 HA THR 27 HA THR 27 10.918 -5.537 -0.371 295 HB THR 27 HB THR 27 12.757 -3.783 -0.751 296 HG1 THR 27 1HG THR 27 12.970 -3.358 -3.099 297 1HG2 THR 27 1HG2 THR 27 12.445 -6.460 -1.829 298 2HG2 THR 27 2HG2 THR 27 13.357 -5.497 -2.998 299 3HG2 THR 27 3HG2 THR 27 13.926 -5.635 -1.322 300 QG2 THR 27 QG2 THR 27 13.243 -5.864 -2.049 301 H GLN 28 HN GLN 28 10.907 -4.196 1.409 302 HA GLN 28 HA GLN 28 8.820 -2.481 1.945 303 1HB GLN 28 2HB GLN 28 10.335 -3.461 3.619 304 2HB GLN 28 3HB GLN 28 11.633 -2.370 3.101 305 1HG GLN 28 2HG GLN 28 10.254 -0.409 3.780 306 2HG GLN 28 3HG GLN 28 8.947 -1.499 4.262 307 1HE2 GLN 28 2HE2 GLN 28 10.692 -2.636 7.216 308 2HE2 GLN 28 1HE2 GLN 28 9.554 -3.181 5.989 309 QB GLN 28 QB GLN 28 10.984 -2.915 3.360 310 QG GLN 28 QG GLN 28 9.600 -0.953 4.022 311 QE2 GLN 28 QE2 GLN 28 10.123 -2.908 6.602 312 H GLN 29 HN GLN 29 11.972 -1.636 0.517 313 HA GLN 29 HA GLN 29 11.907 1.097 0.555 314 1HB GLN 29 2HB GLN 29 13.558 -0.716 -0.554 315 2HB GLN 29 3HB GLN 29 12.680 -0.295 -2.022 316 1HG GLN 29 2HG GLN 29 14.611 1.106 -1.915 317 2HG GLN 29 3HG GLN 29 13.243 2.153 -1.510 318 1HE2 GLN 29 2HE2 GLN 29 14.672 2.970 1.645 319 2HE2 GLN 29 1HE2 GLN 29 13.524 3.387 0.387 320 QB GLN 29 QB GLN 29 13.119 -0.506 -1.288 321 QG GLN 29 QG GLN 29 13.927 1.630 -1.712 322 QE2 GLN 29 QE2 GLN 29 14.099 3.179 1.017 323 H SER 30 HN SER 30 10.085 -1.020 -1.703 324 HA SER 30 HA SER 30 9.168 1.166 -3.396 325 1HB SER 30 2HB SER 30 7.854 -1.519 -2.955 326 2HB SER 30 3HB SER 30 7.668 -0.452 -4.337 327 HG SER 30 HG SER 30 10.241 -1.377 -3.723 328 QB SER 30 QB SER 30 7.762 -0.986 -3.646 329 H ILE 31 HN ILE 31 7.998 -0.499 -0.495 330 HA ILE 31 HA ILE 31 5.326 0.612 -0.497 331 HB ILE 31 HB ILE 31 6.947 -0.606 1.777 332 1HG1 ILE 31 2HG1 ILE 31 6.907 -2.263 0.060 333 2HG1 ILE 31 3HG1 ILE 31 5.671 -2.689 1.248 334 1HG2 ILE 31 1HG2 ILE 31 3.949 -0.299 1.479 335 2HG2 ILE 31 2HG2 ILE 31 4.798 -1.153 2.774 336 3HG2 ILE 31 3HG2 ILE 31 5.003 0.593 2.592 337 1HD1 ILE 31 1HD1 ILE 31 3.998 -1.530 -0.370 338 2HD1 ILE 31 2HD1 ILE 31 5.306 -1.603 -1.563 339 3HD1 ILE 31 3HD1 ILE 31 4.677 -3.093 -0.852 340 QG1 ILE 31 QG1 ILE 31 6.289 -2.476 0.654 341 QG2 ILE 31 QG2 ILE 31 4.583 -0.286 2.281 342 QD1 ILE 31 QD1 ILE 31 4.660 -2.076 -0.928 343 H GLU 32 HN GLU 32 8.346 1.329 1.302 344 HA GLU 32 HA GLU 32 7.641 3.669 2.620 345 1HB GLU 32 2HB GLU 32 9.844 2.395 2.722 346 2HB GLU 32 3HB GLU 32 10.288 3.154 1.193 347 1HG GLU 32 2HG GLU 32 11.297 4.453 2.931 348 2HG GLU 32 3HG GLU 32 9.946 5.416 2.340 349 QB GLU 32 QB GLU 32 10.067 2.774 1.958 350 QG GLU 32 QG GLU 32 10.622 4.935 2.635 351 H GLN 33 HN GLN 33 8.857 3.346 -0.795 352 HA GLN 33 HA GLN 33 8.659 6.072 -1.474 353 1HB GLN 33 2HB GLN 33 9.773 4.820 -2.996 354 2HB GLN 33 3HB GLN 33 8.629 3.495 -3.018 355 1HG GLN 33 2HG GLN 33 7.163 4.534 -4.478 356 2HG GLN 33 3HG GLN 33 7.708 6.158 -4.037 357 1HE2 GLN 33 2HE2 GLN 33 9.987 4.089 -6.768 358 2HE2 GLN 33 1HE2 GLN 33 9.026 3.178 -5.613 359 QB GLN 33 QB GLN 33 9.202 4.157 -3.007 360 QG GLN 33 QG GLN 33 7.436 5.345 -4.257 361 QE2 GLN 33 QE2 GLN 33 9.506 3.633 -6.190 362 H LEU 34 HN LEU 34 6.111 3.529 -1.815 363 HA LEU 34 HA LEU 34 4.217 5.396 -2.815 364 1HB LEU 34 2HB LEU 34 3.913 3.006 -3.112 365 2HB LEU 34 3HB LEU 34 3.758 2.775 -1.365 366 HG LEU 34 HG LEU 34 1.702 4.161 -1.368 367 1HD1 LEU 34 2HD1 LEU 34 2.289 5.355 -3.684 368 2HD1 LEU 34 3HD1 LEU 34 1.530 3.920 -4.377 369 3HD1 LEU 34 1HD1 LEU 34 0.623 4.968 -3.306 370 1HD2 LEU 34 3HD2 LEU 34 1.697 1.764 -3.245 371 2HD2 LEU 34 1HD2 LEU 34 1.585 1.738 -1.470 372 3HD2 LEU 34 2HD2 LEU 34 0.270 2.440 -2.433 373 QB LEU 34 QB LEU 34 3.836 2.890 -2.238 374 QD1 LEU 34 QD1 LEU 34 1.481 4.748 -3.789 375 QD2 LEU 34 QD2 LEU 34 1.184 1.981 -2.383 376 QQD LEU 34 QQD LEU 34 1.333 3.364 -3.086 377 H GLU 35 HN GLU 35 4.792 4.330 0.539 378 HA GLU 35 HA GLU 35 2.840 5.973 1.803 379 1HB GLU 35 2HB GLU 35 5.265 4.390 2.641 380 2HB GLU 35 3HB GLU 35 4.585 5.514 3.801 381 1HG GLU 35 2HG GLU 35 3.704 3.165 3.971 382 2HG GLU 35 3HG GLU 35 2.467 4.408 3.831 383 QB GLU 35 QB GLU 35 4.925 4.952 3.221 384 QG GLU 35 QG GLU 35 3.086 3.787 3.901 385 H ASN 36 HN ASN 36 6.089 6.743 0.710 386 HA ASN 36 HA ASN 36 6.122 9.420 1.864 387 1HB ASN 36 2HB ASN 36 7.659 7.891 -0.201 388 2HB ASN 36 3HB ASN 36 7.599 9.635 -0.408 389 1HD2 ASN 36 2HD2 ASN 36 10.443 8.378 1.863 390 2HD2 ASN 36 1HD2 ASN 36 9.577 7.364 0.737 391 QB ASN 36 QB ASN 36 7.629 8.762 -0.305 392 QD2 ASN 36 QD2 ASN 36 10.009 7.871 1.300 393 H GLY 37 HN GLY 37 4.060 8.071 -0.553 394 1HA GLY 37 1HA GLY 37 2.480 9.061 -1.850 395 2HA GLY 37 2HA GLY 37 2.724 10.521 -0.873 396 QA GLY 37 QA GLY 37 2.602 9.790 -1.361 397 H LYS 38 HN LYS 38 5.244 9.011 -2.807 398 HA LYS 38 HA LYS 38 5.413 11.463 -4.498 399 1HB LYS 38 2HB LYS 38 7.693 10.794 -4.965 400 2HB LYS 38 3HB LYS 38 7.372 10.982 -3.237 401 1HG LYS 38 2HG LYS 38 7.226 8.505 -3.006 402 2HG LYS 38 3HG LYS 38 7.498 8.344 -4.752 403 1HD LYS 38 2HD LYS 38 9.556 7.845 -3.669 404 2HD LYS 38 3HD LYS 38 9.739 9.429 -4.450 405 1HE LYS 38 2HE LYS 38 9.217 10.444 -2.118 406 2HE LYS 38 3HE LYS 38 9.322 8.773 -1.513 407 1HZ LYS 38 1HZ LYS 38 11.502 10.177 -2.862 408 2HZ LYS 38 2HZ LYS 38 11.345 9.980 -1.237 409 3HZ LYS 38 3HZ LYS 38 11.563 8.670 -2.200 410 QB LYS 38 QB LYS 38 7.532 10.888 -4.101 411 QG LYS 38 QG LYS 38 7.362 8.424 -3.879 412 QD LYS 38 QD LYS 38 9.648 8.637 -4.059 413 QE LYS 38 QE LYS 38 9.269 9.609 -1.815 414 QZ LYS 38 QZ LYS 38 11.470 9.609 -2.100 415 H THR 39 HN THR 39 3.914 8.513 -4.768 416 HA THR 39 HA THR 39 4.347 8.433 -7.723 417 HB THR 39 HB THR 39 3.721 6.017 -5.990 418 HG1 THR 39 1HG THR 39 5.810 6.917 -5.562 419 1HG2 THR 39 1HG2 THR 39 4.663 6.401 -8.877 420 2HG2 THR 39 2HG2 THR 39 4.530 4.845 -8.059 421 3HG2 THR 39 3HG2 THR 39 3.071 5.813 -8.344 422 QG2 THR 39 QG2 THR 39 4.089 5.687 -8.427 423 H LYS 40 HN LYS 40 2.519 8.833 -8.809 424 HA LYS 40 HA LYS 40 -0.057 8.991 -7.422 425 1HB LYS 40 2HB LYS 40 -0.914 9.652 -9.661 426 2HB LYS 40 3HB LYS 40 0.321 10.697 -8.947 427 1HG LYS 40 2HG LYS 40 1.995 10.014 -10.512 428 2HG LYS 40 3HG LYS 40 1.101 8.563 -10.945 429 1HD LYS 40 2HD LYS 40 0.815 9.803 -12.800 430 2HD LYS 40 3HD LYS 40 -0.703 10.097 -11.969 431 1HE LYS 40 2HE LYS 40 1.765 11.930 -11.967 432 2HE LYS 40 3HE LYS 40 0.387 12.123 -13.055 433 1HZ LYS 40 1HZ LYS 40 -0.073 12.130 -10.178 434 2HZ LYS 40 2HZ LYS 40 0.494 13.481 -10.920 435 3HZ LYS 40 3HZ LYS 40 -0.946 12.840 -11.376 436 QB LYS 40 QB LYS 40 -0.297 10.174 -9.304 437 QG LYS 40 QG LYS 40 1.549 9.288 -10.729 438 QD LYS 40 QD LYS 40 0.056 9.950 -12.384 439 QE LYS 40 QE LYS 40 1.076 12.027 -12.511 440 QZ LYS 40 QZ LYS 40 -0.175 12.817 -10.825 441 NH1 ARG 41 NH2 ARG 41 -2.769 3.461 -14.802 442 NH2 ARG 41 NH1 ARG 41 -3.318 5.575 -15.577 443 H ARG 41 HN ARG 41 1.475 6.795 -9.794 444 HA ARG 41 HA ARG 41 -0.603 4.774 -9.262 445 1HB ARG 41 2HB ARG 41 -1.457 6.188 -11.100 446 2HB ARG 41 3HB ARG 41 -0.055 5.771 -12.084 447 1HG ARG 41 2HG ARG 41 -0.882 3.696 -12.589 448 2HG ARG 41 3HG ARG 41 -1.395 3.394 -10.931 449 1HD ARG 41 2HD ARG 41 -3.415 3.413 -12.200 450 2HD ARG 41 3HD ARG 41 -3.365 4.873 -11.247 451 HE ARG 41 HE ARG 41 -3.296 6.171 -13.127 452 1HH1 ARG 41 2HH2 ARG 41 -2.551 2.855 -14.026 453 2HH1 ARG 41 1HH2 ARG 41 -2.760 3.079 -15.735 454 1HH2 ARG 41 2HH1 ARG 41 -3.552 6.543 -15.407 455 2HH2 ARG 41 1HH1 ARG 41 -3.307 5.250 -16.532 456 QB ARG 41 QB ARG 41 -0.756 5.980 -11.591 457 QG ARG 41 QG ARG 41 -1.138 3.545 -11.759 458 QD ARG 41 QD ARG 41 -3.390 4.143 -11.723 459 QH1 ARG 41 QH2 ARG 41 -2.656 2.967 -14.881 460 QH2 ARG 41 QH1 ARG 41 -3.429 5.897 -15.970 461 HA PRO 42 HA PRO 42 3.686 3.038 -9.753 462 1HB PRO 42 2HB PRO 42 3.471 1.109 -7.774 463 2HB PRO 42 3HB PRO 42 3.982 2.767 -7.450 464 1HG PRO 42 2HG PRO 42 1.325 1.484 -7.006 465 2HG PRO 42 3HG PRO 42 2.139 2.739 -6.045 466 1HD PRO 42 2HD PRO 42 0.097 3.132 -7.990 467 2HD PRO 42 3HD PRO 42 1.092 4.427 -7.326 468 QB PRO 42 QB PRO 42 3.727 1.937 -7.612 469 QG PRO 42 QG PRO 42 1.732 2.112 -6.525 470 QD PRO 42 QD PRO 42 0.594 3.780 -7.658 471 NH1 ARG 43 NH2 ARG 43 5.445 -4.643 -14.651 472 NH2 ARG 43 NH1 ARG 43 3.614 -5.989 -15.094 473 H ARG 43 HN ARG 43 4.276 0.753 -10.208 474 HA ARG 43 HA ARG 43 2.341 -0.476 -11.938 475 1HB ARG 43 2HB ARG 43 4.875 -0.449 -12.188 476 2HB ARG 43 3HB ARG 43 4.983 -1.645 -10.893 477 1HG ARG 43 2HG ARG 43 3.146 -2.222 -13.214 478 2HG ARG 43 3HG ARG 43 4.879 -2.223 -13.531 479 1HD ARG 43 2HD ARG 43 5.272 -4.004 -11.901 480 2HD ARG 43 3HD ARG 43 3.639 -3.853 -11.268 481 HE ARG 43 HE ARG 43 2.854 -5.233 -12.804 482 1HH1 ARG 43 2HH2 ARG 43 5.927 -4.020 -14.020 483 2HH1 ARG 43 1HH2 ARG 43 5.882 -4.883 -15.528 484 1HH2 ARG 43 2HH1 ARG 43 2.715 -6.365 -14.825 485 2HH2 ARG 43 1HH1 ARG 43 3.999 -6.262 -15.986 486 QB ARG 43 QB ARG 43 4.928 -1.047 -11.540 487 QG ARG 43 QG ARG 43 4.012 -2.223 -13.372 488 QD ARG 43 QD ARG 43 4.455 -3.928 -11.585 489 QH1 ARG 43 QH2 ARG 43 5.904 -4.451 -14.774 490 QH2 ARG 43 QH1 ARG 43 3.357 -6.314 -15.405 491 H PHE 44 HN PHE 44 3.459 -1.080 -8.635 492 HA PHE 44 HA PHE 44 1.836 -3.537 -8.452 493 1HB PHE 44 2HB PHE 44 2.876 -3.645 -6.169 494 2HB PHE 44 3HB PHE 44 3.999 -3.692 -7.498 495 HD1 PHE 44 1HD PHE 44 2.541 -1.403 -4.898 496 HD2 PHE 44 2HD PHE 44 5.763 -2.084 -7.674 497 HE1 PHE 44 1HE PHE 44 3.755 0.528 -3.953 498 HE2 PHE 44 2HE PHE 44 6.927 -0.080 -6.804 499 HZ PHE 44 HZ PHE 44 5.940 1.202 -4.899 500 QB PHE 44 QB PHE 44 3.437 -3.669 -6.833 501 QR PHE 44 QR PHE 44 4.747 -0.760 -5.833 502 H LEU 45 HN LEU 45 0.591 -0.713 -8.708 503 HA LEU 45 HA LEU 45 -0.564 -0.114 -6.200 504 1HB LEU 45 2HB LEU 45 -0.562 1.170 -8.461 505 2HB LEU 45 3HB LEU 45 -2.034 0.319 -8.811 506 HG LEU 45 HG LEU 45 -2.463 2.543 -8.026 507 1HD1 LEU 45 2HD1 LEU 45 -3.967 0.650 -7.537 508 2HD1 LEU 45 3HD1 LEU 45 -3.395 0.676 -5.862 509 3HD1 LEU 45 1HD1 LEU 45 -4.203 2.098 -6.541 510 1HD2 LEU 45 2HD2 LEU 45 -0.569 2.076 -5.848 511 2HD2 LEU 45 3HD2 LEU 45 -1.333 3.580 -6.402 512 3HD2 LEU 45 1HD2 LEU 45 -2.143 2.565 -5.229 513 QB LEU 45 QB LEU 45 -1.298 0.745 -8.635 514 QD1 LEU 45 QD1 LEU 45 -3.855 1.141 -6.647 515 QD2 LEU 45 QD2 LEU 45 -1.349 2.740 -5.826 516 QQD LEU 45 QQD LEU 45 -2.602 1.941 -6.236 517 HA PRO 46 HA PRO 46 -4.227 -3.092 -7.044 518 1HB PRO 46 2HB PRO 46 -3.830 -5.236 -8.741 519 2HB PRO 46 3HB PRO 46 -4.618 -3.717 -9.214 520 1HG PRO 46 2HG PRO 46 -1.841 -4.640 -9.806 521 2HG PRO 46 3HG PRO 46 -2.908 -3.597 -10.778 522 1HD PRO 46 2HD PRO 46 -0.793 -2.777 -9.197 523 2HD PRO 46 3HD PRO 46 -2.100 -1.700 -9.735 524 QB PRO 46 QB PRO 46 -4.224 -4.477 -8.977 525 QG PRO 46 QG PRO 46 -2.375 -4.118 -10.292 526 QD PRO 46 QD PRO 46 -1.446 -2.239 -9.465 527 H GLU 47 HN GLU 47 -1.023 -4.550 -7.428 528 HA GLU 47 HA GLU 47 -1.413 -6.819 -5.828 529 1HB GLU 47 2HB GLU 47 1.060 -5.124 -6.294 530 2HB GLU 47 3HB GLU 47 1.077 -6.789 -5.706 531 1HG GLU 47 2HG GLU 47 0.500 -7.693 -7.769 532 2HG GLU 47 3HG GLU 47 -0.287 -6.236 -8.364 533 QB GLU 47 QB GLU 47 1.069 -5.956 -6.000 534 QG GLU 47 QG GLU 47 0.107 -6.965 -8.066 535 H LEU 48 HN LEU 48 -0.256 -3.527 -4.948 536 HA LEU 48 HA LEU 48 0.056 -4.047 -2.152 537 1HB LEU 48 2HB LEU 48 1.161 -2.300 -3.439 538 2HB LEU 48 3HB LEU 48 -0.353 -1.423 -3.656 539 HG LEU 48 HG LEU 48 1.279 -0.551 -1.981 540 1HD1 LEU 48 3HD1 LEU 48 -1.534 -1.111 -1.044 541 2HD1 LEU 48 1HD1 LEU 48 -0.377 -0.201 -0.087 542 3HD1 LEU 48 2HD1 LEU 48 -0.811 0.371 -1.696 543 1HD2 LEU 48 2HD2 LEU 48 2.071 -2.628 -1.022 544 2HD2 LEU 48 3HD2 LEU 48 1.498 -1.510 0.205 545 3HD2 LEU 48 1HD2 LEU 48 0.491 -2.909 -0.246 546 QB LEU 48 QB LEU 48 0.404 -1.862 -3.547 547 QD1 LEU 48 QD1 LEU 48 -0.908 -0.314 -0.942 548 QD2 LEU 48 QD2 LEU 48 1.353 -2.349 -0.354 549 QQD LEU 48 QQD LEU 48 0.223 -1.331 -0.649 550 H ALA 49 HN ALA 49 -2.566 -2.443 -4.003 551 HA ALA 49 HA ALA 49 -4.310 -1.940 -1.898 552 1HB ALA 49 1HB ALA 49 -4.668 -1.233 -4.287 553 2HB ALA 49 2HB ALA 49 -5.120 -2.892 -4.683 554 3HB ALA 49 3HB ALA 49 -6.099 -1.942 -3.552 555 QB ALA 49 QB ALA 49 -5.295 -2.022 -4.174 556 H SER 50 HN SER 50 -4.038 -4.936 -3.839 557 HA SER 50 HA SER 50 -5.994 -6.428 -2.379 558 1HB SER 50 2HB SER 50 -3.667 -7.330 -4.117 559 2HB SER 50 3HB SER 50 -4.960 -8.378 -3.522 560 HG SER 50 HG SER 50 -5.247 -6.053 -5.142 561 QB SER 50 QB SER 50 -4.313 -7.855 -3.820 562 H ALA 51 HN ALA 51 -2.408 -6.190 -1.998 563 HA ALA 51 HA ALA 51 -2.090 -8.166 -0.042 564 1HB ALA 51 1HB ALA 51 -0.210 -7.032 -1.152 565 2HB ALA 51 2HB ALA 51 -0.585 -5.528 -0.280 566 3HB ALA 51 3HB ALA 51 -0.054 -6.959 0.613 567 QB ALA 51 QB ALA 51 -0.283 -6.507 -0.273 568 H LEU 52 HN LEU 52 -3.031 -4.743 0.350 569 HA LEU 52 HA LEU 52 -3.446 -5.020 3.249 570 1HB LEU 52 2HB LEU 52 -4.004 -2.900 1.162 571 2HB LEU 52 3HB LEU 52 -4.714 -2.753 2.765 572 HG LEU 52 HG LEU 52 -1.768 -3.175 2.329 573 1HD1 LEU 52 3HD1 LEU 52 -3.347 -0.609 2.676 574 2HD1 LEU 52 1HD1 LEU 52 -1.568 -0.747 2.724 575 3HD1 LEU 52 2HD1 LEU 52 -2.443 -1.119 1.234 576 1HD2 LEU 52 2HD2 LEU 52 -3.318 -3.322 4.714 577 2HD2 LEU 52 3HD2 LEU 52 -1.562 -3.143 4.607 578 3HD2 LEU 52 1HD2 LEU 52 -2.582 -1.716 4.746 579 QB LEU 52 QB LEU 52 -4.360 -2.826 1.964 580 QD1 LEU 52 QD1 LEU 52 -2.453 -0.825 2.211 581 QD2 LEU 52 QD2 LEU 52 -2.487 -2.727 4.689 582 QQD LEU 52 QQD LEU 52 -2.470 -1.776 3.451 583 H GLY 53 HN GLY 53 -5.426 -5.335 0.344 584 1HA GLY 53 1HA GLY 53 -7.516 -6.339 0.155 585 2HA GLY 53 2HA GLY 53 -7.704 -6.371 1.916 586 QA GLY 53 QA GLY 53 -7.610 -6.355 1.036 587 H VAL 54 HN VAL 54 -7.190 -3.990 -0.709 588 HA VAL 54 HA VAL 54 -9.732 -2.654 -0.206 589 HB VAL 54 HB VAL 54 -8.788 -0.413 -0.336 590 1HG1 VAL 54 1HG1 VAL 54 -9.115 -1.391 1.877 591 2HG1 VAL 54 2HG1 VAL 54 -7.412 -1.947 1.873 592 3HG1 VAL 54 3HG1 VAL 54 -7.793 -0.216 1.875 593 1HG2 VAL 54 3HG2 VAL 54 -6.122 -1.826 -0.527 594 2HG2 VAL 54 1HG2 VAL 54 -6.788 -0.570 -1.585 595 3HG2 VAL 54 2HG2 VAL 54 -6.224 -0.175 0.044 596 QG1 VAL 54 QG1 VAL 54 -8.107 -1.184 1.875 597 QG2 VAL 54 QG2 VAL 54 -6.378 -0.857 -0.690 598 QQG VAL 54 QQG VAL 54 -7.242 -1.021 0.593 599 H SER 55 HN SER 55 -9.993 -1.021 -2.238 600 HA SER 55 HA SER 55 -9.232 -2.576 -4.628 601 1HB SER 55 2HB SER 55 -10.923 -0.998 -5.665 602 2HB SER 55 3HB SER 55 -11.561 -2.042 -4.381 603 HG SER 55 HG SER 55 -12.184 0.157 -4.079 604 QB SER 55 QB SER 55 -11.242 -1.520 -5.023 605 H VAL 56 HN VAL 56 -8.190 -1.601 -6.399 606 HA VAL 56 HA VAL 56 -6.278 0.503 -6.048 607 HB VAL 56 HB VAL 56 -7.757 -0.603 -8.510 608 1HG1 VAL 56 1HG1 VAL 56 -5.773 1.635 -8.301 609 2HG1 VAL 56 2HG1 VAL 56 -5.585 0.485 -9.634 610 3HG1 VAL 56 3HG1 VAL 56 -7.102 1.367 -9.427 611 1HG2 VAL 56 1HG2 VAL 56 -5.115 -1.151 -7.172 612 2HG2 VAL 56 2HG2 VAL 56 -6.417 -2.289 -7.542 613 3HG2 VAL 56 3HG2 VAL 56 -5.433 -1.626 -8.854 614 QG1 VAL 56 QG1 VAL 56 -6.154 1.163 -9.121 615 QG2 VAL 56 QG2 VAL 56 -5.654 -1.689 -7.856 616 QQG VAL 56 QQG VAL 56 -5.904 -0.263 -8.488 617 H ASP 57 HN ASP 57 -9.657 0.492 -7.207 618 HA ASP 57 HA ASP 57 -9.850 3.183 -7.865 619 1HB ASP 57 2HB ASP 57 -11.589 1.302 -8.167 620 2HB ASP 57 3HB ASP 57 -12.092 1.658 -6.497 621 QB ASP 57 QB ASP 57 -11.840 1.480 -7.332 622 CH2 TRP 58 CH2 TRP 58 -7.433 3.039 2.476 623 H TRP 58 HN TRP 58 -9.993 1.642 -4.622 624 HA TRP 58 HA TRP 58 -10.567 4.151 -3.276 625 1HB TRP 58 2HB TRP 58 -11.164 1.954 -2.308 626 2HB TRP 58 3HB TRP 58 -9.469 1.549 -2.188 627 HD1 TRP 58 HD1 TRP 58 -11.876 4.251 -0.871 628 HE1 TRP 58 HE1 TRP 58 -11.120 5.047 1.417 629 HE3 TRP 58 HE3 TRP 58 -7.498 1.716 -0.662 630 HZ2 TRP 58 HZ2 TRP 58 -8.857 4.442 3.251 631 HZ3 TRP 58 HZ3 TRP 58 -6.028 1.881 1.334 632 HH2 TRP 58 HH2 TRP 58 -6.724 3.191 3.275 633 QB TRP 58 QB TRP 58 -10.316 1.752 -2.247 634 H LEU 59 HN LEU 59 -7.584 2.187 -3.908 635 HA LEU 59 HA LEU 59 -5.932 4.073 -2.512 636 1HB LEU 59 2HB LEU 59 -5.445 1.750 -4.302 637 2HB LEU 59 3HB LEU 59 -4.179 2.945 -4.288 638 HG LEU 59 HG LEU 59 -5.268 1.365 -1.927 639 1HD1 LEU 59 2HD1 LEU 59 -3.487 0.415 -3.543 640 2HD1 LEU 59 3HD1 LEU 59 -2.404 1.654 -2.897 641 3HD1 LEU 59 1HD1 LEU 59 -3.108 0.425 -1.816 642 1HD2 LEU 59 3HD2 LEU 59 -3.450 3.793 -1.908 643 2HD2 LEU 59 1HD2 LEU 59 -4.817 3.441 -0.815 644 3HD2 LEU 59 2HD2 LEU 59 -3.321 2.536 -0.656 645 QB LEU 59 QB LEU 59 -4.813 2.348 -4.295 646 QD1 LEU 59 QD1 LEU 59 -3.000 0.831 -2.752 647 QD2 LEU 59 QD2 LEU 59 -3.862 3.257 -1.126 648 QQD LEU 59 QQD LEU 59 -3.431 2.044 -1.939 649 H LEU 60 HN LEU 60 -7.305 4.290 -5.694 650 HA LEU 60 HA LEU 60 -5.687 6.674 -6.312 651 1HB LEU 60 2HB LEU 60 -7.866 5.178 -7.780 652 2HB LEU 60 3HB LEU 60 -7.229 6.721 -8.365 653 HG LEU 60 HG LEU 60 -5.435 4.346 -7.725 654 1HD1 LEU 60 1HD1 LEU 60 -7.034 3.722 -9.493 655 2HD1 LEU 60 2HD1 LEU 60 -6.563 5.147 -10.436 656 3HD1 LEU 60 3HD1 LEU 60 -5.380 3.855 -10.119 657 1HD2 LEU 60 3HD2 LEU 60 -4.789 7.060 -8.262 658 2HD2 LEU 60 1HD2 LEU 60 -3.697 5.666 -8.322 659 3HD2 LEU 60 2HD2 LEU 60 -4.520 6.235 -9.786 660 QB LEU 60 QB LEU 60 -7.547 5.950 -8.072 661 QD1 LEU 60 QD1 LEU 60 -6.326 4.241 -10.016 662 QD2 LEU 60 QD2 LEU 60 -4.335 6.321 -8.790 663 QQD LEU 60 QQD LEU 60 -5.331 5.280 -9.403 664 H ASN 61 HN ASN 61 -9.159 6.009 -5.534 665 HA ASN 61 HA ASN 61 -9.725 8.850 -5.292 666 1HB ASN 61 2HB ASN 61 -11.403 6.418 -4.549 667 2HB ASN 61 3HB ASN 61 -11.915 8.093 -4.389 668 1HD2 ASN 61 2HD2 ASN 61 -12.265 6.321 -7.989 669 2HD2 ASN 61 1HD2 ASN 61 -11.764 5.450 -6.580 670 QB ASN 61 QB ASN 61 -11.659 7.256 -4.468 671 QD2 ASN 61 QD2 ASN 61 -12.014 5.886 -7.284 672 H GLY 62 HN GLY 62 -9.905 6.242 -2.779 673 1HA GLY 62 1HA GLY 62 -8.789 6.482 -0.681 674 2HA GLY 62 2HA GLY 62 -8.976 8.239 -0.729 675 QA GLY 62 QA GLY 62 -8.883 7.360 -0.705 676 H THR 63 HN THR 63 -11.890 7.024 -1.841 677 HA THR 63 HA THR 63 -13.122 6.409 0.714 678 HB THR 63 HB THR 63 -14.838 8.115 0.181 679 HG1 THR 63 1HG THR 63 -14.100 9.854 -1.252 680 1HG2 THR 63 2HG2 THR 63 -13.026 8.600 1.859 681 2HG2 THR 63 3HG2 THR 63 -12.098 9.409 0.579 682 3HG2 THR 63 1HG2 THR 63 -13.661 10.061 1.079 683 QG2 THR 63 QG2 THR 63 -12.928 9.357 1.172 684 H SER 64 HN SER 64 -14.787 5.000 0.214 685 HA SER 64 HA SER 64 -15.519 4.255 -2.502 686 1HB SER 64 2HB SER 64 -13.626 2.466 -0.917 687 2HB SER 64 3HB SER 64 -14.673 1.867 -2.200 688 HG SER 64 HG SER 64 -13.697 3.467 -3.601 689 QB SER 64 QB SER 64 -14.149 2.166 -1.559 690 H ASP 65 HN ASP 65 -17.154 5.167 -0.984 691 HA ASP 65 HA ASP 65 -18.890 3.114 0.164 692 1HB ASP 65 2HB ASP 65 -18.879 4.384 2.360 693 2HB ASP 65 3HB ASP 65 -17.483 3.360 2.035 694 QB ASP 65 QB ASP 65 -18.181 3.872 2.197 695 H SER 66 HN SER 66 -20.364 3.736 -1.335 696 HA SER 66 HA SER 66 -22.018 4.918 -2.344 697 1HB SER 66 2HB SER 66 -21.984 6.520 0.245 698 2HB SER 66 3HB SER 66 -23.327 6.384 -0.898 699 HG SER 66 HG SER 66 -23.274 4.081 -0.484 700 QB SER 66 QB SER 66 -22.655 6.452 -0.326 701 H ASN 67 HN ASN 67 -20.028 5.629 -3.699 702 HA ASN 67 HA ASN 67 -19.211 8.387 -3.570 703 1HB ASN 67 2HB ASN 67 -17.742 6.820 -4.610 704 2HB ASN 67 3HB ASN 67 -18.998 6.265 -5.727 705 1HD2 ASN 67 2HD2 ASN 67 -17.882 8.572 -8.146 706 2HD2 ASN 67 1HD2 ASN 67 -18.398 6.938 -7.782 707 QB ASN 67 QB ASN 67 -18.370 6.542 -5.169 708 QD2 ASN 67 QD2 ASN 67 -18.141 7.755 -7.964 709 H VAL 68 HN VAL 68 -21.038 6.868 -6.290 710 HA VAL 68 HA VAL 68 -22.072 9.480 -7.033 711 HB VAL 68 HB VAL 68 -23.324 8.264 -8.777 712 1HG1 VAL 68 1HG1 VAL 68 -20.908 9.077 -9.016 713 2HG1 VAL 68 2HG1 VAL 68 -20.439 7.376 -8.843 714 3HG1 VAL 68 3HG1 VAL 68 -21.488 7.874 -10.176 715 1HG2 VAL 68 2HG2 VAL 68 -23.661 6.094 -7.609 716 2HG2 VAL 68 3HG2 VAL 68 -22.941 5.908 -9.216 717 3HG2 VAL 68 1HG2 VAL 68 -21.927 5.745 -7.771 718 QG1 VAL 68 QG1 VAL 68 -20.945 8.109 -9.344 719 QG2 VAL 68 QG2 VAL 68 -22.843 5.916 -8.199 720 QQG VAL 68 QQG VAL 68 -21.894 7.013 -8.771 721 NH1 ARG 69 NH2 ARG 69 -27.711 14.306 -3.756 722 NH2 ARG 69 NH1 ARG 69 -29.730 14.346 -4.894 723 H ARG 69 HN ARG 69 -24.415 9.729 -7.500 724 HA ARG 69 HA ARG 69 -26.056 9.111 -5.100 725 1HB ARG 69 2HB ARG 69 -25.865 11.339 -7.114 726 2HB ARG 69 3HB ARG 69 -27.488 10.908 -6.609 727 1HG ARG 69 2HG ARG 69 -25.357 11.278 -4.500 728 2HG ARG 69 3HG ARG 69 -26.076 12.702 -5.256 729 1HD ARG 69 2HD ARG 69 -27.804 10.449 -4.150 730 2HD ARG 69 3HD ARG 69 -27.237 11.719 -3.082 731 HE ARG 69 HE ARG 69 -29.327 11.848 -5.098 732 1HH1 ARG 69 2HH2 ARG 69 -26.919 13.774 -3.428 733 2HH1 ARG 69 1HH2 ARG 69 -27.729 15.302 -3.600 734 1HH2 ARG 69 2HH1 ARG 69 -30.464 13.870 -5.399 735 2HH2 ARG 69 1HH1 ARG 69 -29.801 15.346 -4.774 736 QB ARG 69 QB ARG 69 -26.677 11.124 -6.861 737 QG ARG 69 QG ARG 69 -25.716 11.990 -4.877 738 QD ARG 69 QD ARG 69 -27.521 11.084 -3.616 739 QH1 ARG 69 QH2 ARG 69 -27.324 14.538 -3.513 740 QH2 ARG 69 QH1 ARG 69 -30.132 14.608 -5.087 Start of MODEL 11 Raw file had 740 H/Q atoms Start of MODEL 11 1 H SER 1 HN SER 1 -4.681 11.923 3.306 2 HA SER 1 HA SER 1 -3.253 11.598 1.513 3 1HB SER 1 2HB SER 1 -0.923 10.862 2.590 4 2HB SER 1 3HB SER 1 -1.686 12.355 3.177 5 HG SER 1 HG SER 1 -1.072 10.716 4.827 6 QB SER 1 QB SER 1 -1.304 11.608 2.883 7 H ILE 2 HN ILE 2 -1.625 9.865 0.498 8 HA ILE 2 HA ILE 2 -3.030 7.406 0.104 9 HB ILE 2 HB ILE 2 -1.675 8.485 -1.578 10 1HG1 ILE 2 2HG1 ILE 2 -0.449 5.772 -1.018 11 2HG1 ILE 2 3HG1 ILE 2 -2.146 5.964 -1.486 12 1HG2 ILE 2 1HG2 ILE 2 0.243 9.262 -0.110 13 2HG2 ILE 2 2HG2 ILE 2 0.841 7.590 -0.110 14 3HG2 ILE 2 3HG2 ILE 2 0.724 8.498 -1.621 15 1HD1 ILE 2 3HD1 ILE 2 -1.447 7.187 -3.544 16 2HD1 ILE 2 1HD1 ILE 2 0.247 6.844 -3.143 17 3HD1 ILE 2 2HD1 ILE 2 -0.881 5.515 -3.479 18 QG1 ILE 2 QG1 ILE 2 -1.298 5.867 -1.252 19 QG2 ILE 2 QG2 ILE 2 0.602 8.450 -0.614 20 QD1 ILE 2 QD1 ILE 2 -0.693 6.515 -3.389 21 H SER 3 HN SER 3 -0.039 8.194 1.907 22 HA SER 3 HA SER 3 0.578 5.733 2.958 23 1HB SER 3 2HB SER 3 1.470 7.123 4.924 24 2HB SER 3 3HB SER 3 2.002 7.634 3.335 25 HG SER 3 HG SER 3 1.299 9.415 4.535 26 QB SER 3 QB SER 3 1.736 7.378 4.130 27 H SER 4 HN SER 4 -1.513 8.202 4.436 28 HA SER 4 HA SER 4 -2.267 6.780 6.676 29 1HB SER 4 2HB SER 4 -2.847 9.140 6.225 30 2HB SER 4 3HB SER 4 -4.155 8.594 5.139 31 HG SER 4 HG SER 4 -5.302 8.281 6.915 32 QB SER 4 QB SER 4 -3.501 8.867 5.683 33 NH1 ARG 5 NH2 ARG 5 -5.415 8.404 -0.099 34 NH2 ARG 5 NH1 ARG 5 -4.857 7.413 -2.087 35 H ARG 5 HN ARG 5 -3.567 6.216 3.345 36 HA ARG 5 HA ARG 5 -5.729 4.536 4.356 37 1HB ARG 5 2HB ARG 5 -4.692 4.111 1.568 38 2HB ARG 5 3HB ARG 5 -6.283 4.060 2.260 39 1HG ARG 5 2HG ARG 5 -6.091 6.578 2.641 40 2HG ARG 5 3HG ARG 5 -4.788 6.479 1.444 41 1HD ARG 5 2HD ARG 5 -7.344 5.072 0.658 42 2HD ARG 5 3HD ARG 5 -7.535 6.773 1.001 43 HE ARG 5 HE ARG 5 -6.905 5.901 -1.415 44 1HH1 ARG 5 2HH2 ARG 5 -5.793 8.316 0.834 45 2HH1 ARG 5 1HH2 ARG 5 -4.894 9.225 -0.367 46 1HH2 ARG 5 1HH1 ARG 5 -5.105 6.853 -2.908 47 2HH2 ARG 5 2HH1 ARG 5 -4.078 8.041 -2.216 48 QB ARG 5 QB ARG 5 -5.488 4.085 1.914 49 QG ARG 5 QG ARG 5 -5.440 6.528 2.042 50 QD ARG 5 QD ARG 5 -7.439 5.923 0.829 51 QH1 ARG 5 QH2 ARG 5 -5.343 8.770 0.233 52 QH2 ARG 5 QH1 ARG 5 -4.592 7.447 -2.562 53 H VAL 6 HN VAL 6 -2.606 3.857 2.751 54 HA VAL 6 HA VAL 6 -2.691 1.042 2.955 55 HB VAL 6 HB VAL 6 -0.306 2.959 2.869 56 1HG1 VAL 6 3HG1 VAL 6 -0.480 -0.052 2.512 57 2HG1 VAL 6 1HG1 VAL 6 0.871 0.917 1.886 58 3HG1 VAL 6 2HG1 VAL 6 0.572 0.853 3.625 59 1HG2 VAL 6 1HG2 VAL 6 -1.747 1.392 0.693 60 2HG2 VAL 6 2HG2 VAL 6 -1.824 3.153 0.910 61 3HG2 VAL 6 3HG2 VAL 6 -0.297 2.389 0.460 62 QG1 VAL 6 QG1 VAL 6 0.321 0.573 2.675 63 QG2 VAL 6 QG2 VAL 6 -1.289 2.311 0.688 64 QQG VAL 6 QQG VAL 6 -0.484 1.442 1.680 65 H LYS 7 HN LYS 7 -1.111 3.408 5.084 66 HA LYS 7 HA LYS 7 -0.162 1.584 6.985 67 1HB LYS 7 2HB LYS 7 0.601 3.905 6.594 68 2HB LYS 7 3HB LYS 7 -0.805 4.522 7.462 69 1HG LYS 7 2HG LYS 7 -0.044 3.747 9.523 70 2HG LYS 7 3HG LYS 7 0.872 2.403 8.817 71 1HD LYS 7 2HD LYS 7 2.552 3.993 7.929 72 2HD LYS 7 3HD LYS 7 1.659 5.340 8.669 73 1HE LYS 7 2HE LYS 7 2.021 4.418 10.913 74 2HE LYS 7 3HE LYS 7 2.790 2.970 10.255 75 1HZ LYS 7 2HZ LYS 7 4.045 5.410 9.421 76 2HZ LYS 7 3HZ LYS 7 4.079 5.177 11.046 77 3HZ LYS 7 1HZ LYS 7 4.715 4.048 10.043 78 QB LYS 7 QB LYS 7 -0.102 4.214 7.028 79 QG LYS 7 QG LYS 7 0.414 3.075 9.170 80 QD LYS 7 QD LYS 7 2.105 4.667 8.299 81 QE LYS 7 QE LYS 7 2.406 3.694 10.584 82 QZ LYS 7 QZ LYS 7 4.279 4.878 10.170 83 H SER 8 HN SER 8 -3.221 3.630 7.036 84 HA SER 8 HA SER 8 -4.158 2.734 9.543 85 1HB SER 8 2HB SER 8 -5.803 3.405 7.066 86 2HB SER 8 3HB SER 8 -6.465 3.097 8.676 87 HG SER 8 HG SER 8 -4.794 5.207 7.867 88 QB SER 8 QB SER 8 -6.134 3.252 7.870 89 H LYS 9 HN LYS 9 -4.608 1.141 6.272 90 HA LYS 9 HA LYS 9 -6.286 -0.860 7.495 91 1HB LYS 9 2HB LYS 9 -6.285 -0.041 5.070 92 2HB LYS 9 3HB LYS 9 -4.831 -1.012 4.858 93 1HG LYS 9 2HG LYS 9 -6.609 -2.413 4.141 94 2HG LYS 9 3HG LYS 9 -6.285 -2.962 5.808 95 1HD LYS 9 2HD LYS 9 -8.206 -1.265 6.440 96 2HD LYS 9 3HD LYS 9 -8.615 -1.327 4.731 97 1HE LYS 9 2HE LYS 9 -8.402 -3.696 6.667 98 2HE LYS 9 3HE LYS 9 -9.902 -2.948 6.126 99 1HZ LYS 9 2HZ LYS 9 -8.011 -4.393 4.328 100 2HZ LYS 9 3HZ LYS 9 -9.428 -4.955 4.917 101 3HZ LYS 9 1HZ LYS 9 -9.425 -3.688 3.884 102 QB LYS 9 QB LYS 9 -5.558 -0.527 4.963 103 QG LYS 9 QG LYS 9 -6.447 -2.688 4.975 104 QD LYS 9 QD LYS 9 -8.411 -1.296 5.585 105 QE LYS 9 QE LYS 9 -9.152 -3.323 6.396 106 QZ LYS 9 QZ LYS 9 -8.955 -4.345 4.376 107 NH1 ARG 10 NH2 ARG 10 2.958 -1.140 9.969 108 NH2 ARG 10 NH1 ARG 10 4.044 0.605 8.939 109 H ARG 10 HN ARG 10 -2.811 -0.567 6.724 110 HA ARG 10 HA ARG 10 -1.998 -3.150 7.542 111 1HB ARG 10 2HB ARG 10 -0.547 -1.615 6.316 112 2HB ARG 10 3HB ARG 10 -0.517 -0.486 7.685 113 1HG ARG 10 2HG ARG 10 0.622 -1.998 9.094 114 2HG ARG 10 3HG ARG 10 0.383 -3.323 7.953 115 1HD ARG 10 2HD ARG 10 2.570 -2.845 7.633 116 2HD ARG 10 3HD ARG 10 1.808 -2.070 6.267 117 HE ARG 10 HE ARG 10 2.930 -0.203 6.880 118 1HH1 ARG 10 2HH2 ARG 10 2.424 -2.008 9.915 119 2HH1 ARG 10 1HH2 ARG 10 3.334 -0.893 10.871 120 1HH2 ARG 10 2HH1 ARG 10 4.244 1.163 8.121 121 2HH2 ARG 10 1HH1 ARG 10 4.595 0.754 9.772 122 QB ARG 10 QB ARG 10 -0.532 -1.050 7.001 123 QG ARG 10 QG ARG 10 0.502 -2.660 8.524 124 QD ARG 10 QD ARG 10 2.189 -2.457 6.950 125 QH1 ARG 10 QH2 ARG 10 2.879 -1.451 10.393 126 QH2 ARG 10 QH1 ARG 10 4.419 0.959 8.946 127 H ILE 11 HN ILE 11 -2.669 -0.227 9.542 128 HA ILE 11 HA ILE 11 -1.795 -1.396 12.036 129 HB ILE 11 HB ILE 11 -3.490 0.988 11.289 130 1HG1 ILE 11 2HG1 ILE 11 -1.972 2.007 13.009 131 2HG1 ILE 11 3HG1 ILE 11 -1.114 0.470 13.141 132 1HG2 ILE 11 1HG2 ILE 11 -3.425 -0.227 14.083 133 2HG2 ILE 11 2HG2 ILE 11 -3.984 1.408 13.694 134 3HG2 ILE 11 3HG2 ILE 11 -4.875 0.031 13.084 135 1HD1 ILE 11 2HD1 ILE 11 -0.486 0.713 10.708 136 2HD1 ILE 11 3HD1 ILE 11 -1.372 2.270 10.708 137 3HD1 ILE 11 1HD1 ILE 11 0.076 2.069 11.707 138 QG1 ILE 11 QG1 ILE 11 -1.543 1.238 13.076 139 QG2 ILE 11 QG2 ILE 11 -4.095 0.404 13.620 140 QD1 ILE 11 QD1 ILE 11 -0.594 1.684 11.042 141 H GLN 12 HN GLN 12 -5.033 -1.034 10.545 142 HA GLN 12 HA GLN 12 -6.475 -2.516 12.399 143 1HB GLN 12 2HB GLN 12 -7.603 -1.271 10.741 144 2HB GLN 12 3HB GLN 12 -6.883 -2.189 9.406 145 1HG GLN 12 2HG GLN 12 -8.095 -4.182 10.016 146 2HG GLN 12 3HG GLN 12 -8.687 -3.421 11.514 147 1HE2 GLN 12 2HE2 GLN 12 -11.561 -3.240 9.268 148 2HE2 GLN 12 1HE2 GLN 12 -10.695 -4.438 10.210 149 QB GLN 12 QB GLN 12 -7.243 -1.730 10.074 150 QG GLN 12 QG GLN 12 -8.391 -3.802 10.766 151 QE2 GLN 12 QE2 GLN 12 -11.128 -3.839 9.740 152 H LEU 13 HN LEU 13 -4.718 -3.864 9.546 153 HA LEU 13 HA LEU 13 -5.281 -6.619 10.343 154 1HB LEU 13 2HB LEU 13 -3.417 -5.302 8.352 155 2HB LEU 13 3HB LEU 13 -3.209 -6.989 8.776 156 HG LEU 13 HG LEU 13 -6.031 -6.612 8.311 157 1HD1 LEU 13 2HD1 LEU 13 -4.707 -4.794 6.675 158 2HD1 LEU 13 3HD1 LEU 13 -4.881 -6.228 5.651 159 3HD1 LEU 13 1HD1 LEU 13 -6.306 -5.500 6.410 160 1HD2 LEU 13 3HD2 LEU 13 -4.726 -8.717 8.181 161 2HD2 LEU 13 1HD2 LEU 13 -5.664 -8.408 6.704 162 3HD2 LEU 13 2HD2 LEU 13 -3.911 -8.108 6.723 163 QB LEU 13 QB LEU 13 -3.313 -6.146 8.564 164 QD1 LEU 13 QD1 LEU 13 -5.298 -5.507 6.245 165 QD2 LEU 13 QD2 LEU 13 -4.767 -8.411 7.202 166 QQD LEU 13 QQD LEU 13 -5.033 -6.960 6.724 167 H GLY 14 HN GLY 14 -2.662 -4.342 11.105 168 1HA GLY 14 1HA GLY 14 -1.205 -4.430 12.876 169 2HA GLY 14 2HA GLY 14 -1.807 -6.031 13.326 170 QA GLY 14 QA GLY 14 -1.506 -5.231 13.101 171 H LEU 15 HN LEU 15 -0.223 -4.586 10.421 172 HA LEU 15 HA LEU 15 1.888 -6.739 10.530 173 1HB LEU 15 2HB LEU 15 0.373 -5.633 8.137 174 2HB LEU 15 3HB LEU 15 1.817 -6.636 7.988 175 HG LEU 15 HG LEU 15 -0.691 -7.569 9.455 176 1HD1 LEU 15 3HD1 LEU 15 -1.163 -7.019 7.045 177 2HD1 LEU 15 1HD1 LEU 15 0.103 -8.183 6.590 178 3HD1 LEU 15 2HD1 LEU 15 -1.351 -8.735 7.458 179 1HD2 LEU 15 2HD2 LEU 15 1.679 -9.089 8.250 180 2HD2 LEU 15 3HD2 LEU 15 1.388 -8.848 9.984 181 3HD2 LEU 15 1HD2 LEU 15 0.265 -9.819 9.028 182 QB LEU 15 QB LEU 15 1.095 -6.135 8.062 183 QD1 LEU 15 QD1 LEU 15 -0.803 -7.979 7.031 184 QD2 LEU 15 QD2 LEU 15 1.110 -9.252 9.088 185 QQD LEU 15 QQD LEU 15 0.154 -8.616 8.059 186 H ASN 16 HN ASN 16 3.851 -6.083 9.141 187 HA ASN 16 HA ASN 16 4.427 -3.187 9.563 188 1HB ASN 16 2HB ASN 16 6.750 -3.677 9.583 189 2HB ASN 16 3HB ASN 16 5.904 -4.560 10.851 190 1HD2 ASN 16 2HD2 ASN 16 8.290 -6.973 9.409 191 2HD2 ASN 16 1HD2 ASN 16 8.348 -5.537 10.411 192 QB ASN 16 QB ASN 16 6.326 -4.119 10.217 193 QD2 ASN 16 QD2 ASN 16 8.320 -6.256 9.910 194 H GLN 17 HN GLN 17 5.816 -2.187 7.939 195 HA GLN 17 HA GLN 17 4.696 -2.276 5.349 196 1HB GLN 17 2HB GLN 17 7.134 -1.071 6.590 197 2HB GLN 17 3HB GLN 17 7.110 -1.272 4.816 198 1HG GLN 17 2HG GLN 17 5.023 0.148 4.848 199 2HG GLN 17 3HG GLN 17 5.290 0.363 6.577 200 1HE2 GLN 17 2HE2 GLN 17 7.135 3.285 5.575 201 2HE2 GLN 17 1HE2 GLN 17 5.459 2.785 5.710 202 QB GLN 17 QB GLN 17 7.122 -1.171 5.703 203 QG GLN 17 QG GLN 17 5.157 0.255 5.713 204 QE2 GLN 17 QE2 GLN 17 6.297 3.035 5.643 205 H ALA 18 HN ALA 18 7.430 -4.101 6.760 206 HA ALA 18 HA ALA 18 8.489 -5.128 4.336 207 1HB ALA 18 2HB ALA 18 9.667 -5.192 6.518 208 2HB ALA 18 3HB ALA 18 8.522 -6.432 7.082 209 3HB ALA 18 1HB ALA 18 9.599 -6.776 5.719 210 QB ALA 18 QB ALA 18 9.263 -6.134 6.440 211 H GLU 19 HN GLU 19 6.153 -6.702 6.646 212 HA GLU 19 HA GLU 19 5.515 -8.925 5.029 213 1HB GLU 19 2HB GLU 19 4.021 -7.354 7.141 214 2HB GLU 19 3HB GLU 19 3.213 -8.656 6.264 215 1HG GLU 19 2HG GLU 19 5.896 -9.191 7.562 216 2HG GLU 19 3HG GLU 19 4.392 -9.250 8.490 217 QB GLU 19 QB GLU 19 3.617 -8.005 6.702 218 QG GLU 19 QG GLU 19 5.143 -9.220 8.027 219 H LEU 20 HN LEU 20 4.070 -5.674 5.095 220 HA LEU 20 HA LEU 20 2.194 -6.185 3.030 221 1HB LEU 20 2HB LEU 20 2.036 -4.302 4.440 222 2HB LEU 20 3HB LEU 20 3.537 -3.598 3.848 223 HG LEU 20 HG LEU 20 1.470 -4.277 1.777 224 1HD1 LEU 20 3HD1 LEU 20 0.063 -3.320 3.569 225 2HD1 LEU 20 1HD1 LEU 20 1.130 -1.906 3.668 226 3HD1 LEU 20 2HD1 LEU 20 0.207 -2.225 2.180 227 1HD2 LEU 20 1HD2 LEU 20 3.827 -3.062 1.590 228 2HD2 LEU 20 2HD2 LEU 20 2.464 -2.475 0.650 229 3HD2 LEU 20 3HD2 LEU 20 2.907 -1.648 2.147 230 QB LEU 20 QB LEU 20 2.786 -3.950 4.144 231 QD1 LEU 20 QD1 LEU 20 0.466 -2.483 3.139 232 QD2 LEU 20 QD2 LEU 20 3.066 -2.395 1.463 233 QQD LEU 20 QQD LEU 20 1.766 -2.439 2.301 234 H ALA 21 HN ALA 21 5.641 -5.140 2.765 235 HA ALA 21 HA ALA 21 5.737 -5.029 -0.045 236 1HB ALA 21 3HB ALA 21 7.542 -4.418 1.852 237 2HB ALA 21 1HB ALA 21 8.173 -6.014 1.395 238 3HB ALA 21 2HB ALA 21 7.975 -4.752 0.170 239 QB ALA 21 QB ALA 21 7.897 -5.061 1.139 240 H GLN 22 HN GLN 22 6.313 -7.781 2.175 241 HA GLN 22 HA GLN 22 7.021 -9.719 0.227 242 1HB GLN 22 2HB GLN 22 5.769 -9.947 2.995 243 2HB GLN 22 3HB GLN 22 6.039 -11.348 1.973 244 1HG GLN 22 2HG GLN 22 8.165 -11.489 2.547 245 2HG GLN 22 3HG GLN 22 8.483 -9.880 1.915 246 1HE2 GLN 22 2HE2 GLN 22 7.778 -10.048 5.976 247 2HE2 GLN 22 1HE2 GLN 22 6.613 -10.892 5.029 248 QB GLN 22 QB GLN 22 5.904 -10.648 2.483 249 QG GLN 22 QG GLN 22 8.325 -10.685 2.230 250 QE2 GLN 22 QE2 GLN 22 7.195 -10.470 5.502 251 H LYS 23 HN LYS 23 3.720 -9.171 1.659 252 HA LYS 23 HA LYS 23 2.609 -10.981 -0.300 253 1HB LYS 23 2HB LYS 23 0.374 -10.129 0.376 254 2HB LYS 23 3HB LYS 23 1.358 -10.921 1.595 255 1HG LYS 23 2HG LYS 23 1.834 -8.064 1.685 256 2HG LYS 23 3HG LYS 23 0.108 -8.355 1.717 257 1HD LYS 23 2HD LYS 23 2.008 -9.877 3.545 258 2HD LYS 23 3HD LYS 23 1.410 -8.288 3.982 259 1HE LYS 23 2HE LYS 23 -0.320 -10.764 3.515 260 2HE LYS 23 3HE LYS 23 0.121 -10.040 5.053 261 1HZ LYS 23 1HZ LYS 23 -0.992 -7.963 4.122 262 2HZ LYS 23 2HZ LYS 23 -1.731 -8.949 3.038 263 3HZ LYS 23 3HZ LYS 23 -1.944 -9.192 4.647 264 QB LYS 23 QB LYS 23 0.866 -10.526 0.986 265 QG LYS 23 QG LYS 23 0.971 -8.209 1.701 266 QD LYS 23 QD LYS 23 1.709 -9.082 3.764 267 QE LYS 23 QE LYS 23 -0.100 -10.402 4.284 268 QZ LYS 23 QZ LYS 23 -1.556 -8.701 3.936 269 H VAL 24 HN VAL 24 3.307 -7.522 -0.541 270 HA VAL 24 HA VAL 24 1.855 -7.221 -3.048 271 HB VAL 24 HB VAL 24 4.119 -5.656 -1.757 272 1HG1 VAL 24 3HG1 VAL 24 2.471 -5.068 -4.244 273 2HG1 VAL 24 1HG1 VAL 24 3.400 -3.832 -3.378 274 3HG1 VAL 24 2HG1 VAL 24 4.243 -5.177 -4.160 275 1HG2 VAL 24 3HG2 VAL 24 1.673 -5.707 -0.748 276 2HG2 VAL 24 1HG2 VAL 24 2.455 -4.149 -1.085 277 3HG2 VAL 24 2HG2 VAL 24 1.262 -4.830 -2.217 278 QG1 VAL 24 QG1 VAL 24 3.371 -4.692 -3.927 279 QG2 VAL 24 QG2 VAL 24 1.797 -4.895 -1.350 280 QQG VAL 24 QQG VAL 24 2.584 -4.794 -2.639 281 H GLY 25 HN GLY 25 5.033 -8.509 -2.136 282 1HA GLY 25 1HA GLY 25 6.634 -9.547 -3.405 283 2HA GLY 25 2HA GLY 25 5.622 -9.409 -4.854 284 QA GLY 25 QA GLY 25 6.128 -9.478 -4.130 285 H THR 26 HN THR 26 7.019 -7.061 -2.497 286 HA THR 26 HA THR 26 8.865 -6.047 -4.520 287 HB THR 26 HB THR 26 6.769 -4.718 -4.879 288 HG1 THR 26 1HG THR 26 8.750 -3.865 -5.418 289 1HG2 THR 26 1HG2 THR 26 6.178 -4.623 -2.363 290 2HG2 THR 26 2HG2 THR 26 7.362 -3.305 -2.260 291 3HG2 THR 26 3HG2 THR 26 5.957 -3.149 -3.325 292 QG2 THR 26 QG2 THR 26 6.499 -3.692 -2.650 293 H THR 27 HN THR 27 9.566 -3.747 -3.070 294 HA THR 27 HA THR 27 10.912 -5.043 -0.715 295 HB THR 27 HB THR 27 12.757 -3.533 -1.102 296 HG1 THR 27 1HG THR 27 12.751 -2.051 -2.677 297 1HG2 THR 27 2HG2 THR 27 12.713 -5.728 -2.272 298 2HG2 THR 27 3HG2 THR 27 11.976 -4.959 -3.691 299 3HG2 THR 27 1HG2 THR 27 13.614 -4.504 -3.185 300 QG2 THR 27 QG2 THR 27 12.768 -5.064 -3.049 301 H GLN 28 HN GLN 28 10.917 -4.017 1.242 302 HA GLN 28 HA GLN 28 8.937 -2.282 2.027 303 1HB GLN 28 2HB GLN 28 10.487 -3.575 3.532 304 2HB GLN 28 3HB GLN 28 11.735 -2.368 3.192 305 1HG GLN 28 2HG GLN 28 9.612 -0.749 3.987 306 2HG GLN 28 3HG GLN 28 9.286 -2.214 4.905 307 1HE2 GLN 28 2HE2 GLN 28 11.661 -1.172 7.316 308 2HE2 GLN 28 1HE2 GLN 28 10.155 -2.008 6.975 309 QB GLN 28 QB GLN 28 11.112 -2.971 3.363 310 QG GLN 28 QG GLN 28 9.449 -1.482 4.446 311 QE2 GLN 28 QE2 GLN 28 10.908 -1.591 7.146 312 H GLN 29 HN GLN 29 12.213 -1.370 0.804 313 HA GLN 29 HA GLN 29 12.004 1.378 1.203 314 1HB GLN 29 2HB GLN 29 13.712 -0.378 -0.351 315 2HB GLN 29 3HB GLN 29 13.183 0.926 -1.408 316 1HG GLN 29 2HG GLN 29 13.835 2.466 0.677 317 2HG GLN 29 3HG GLN 29 14.818 1.067 1.116 318 1HE2 GLN 29 2HE2 GLN 29 15.929 3.578 -1.894 319 2HE2 GLN 29 1HE2 GLN 29 14.481 3.841 -0.916 320 QB GLN 29 QB GLN 29 13.448 0.274 -0.880 321 QG GLN 29 QG GLN 29 14.326 1.767 0.896 322 QE2 GLN 29 QE2 GLN 29 15.205 3.710 -1.405 323 H SER 30 HN SER 30 10.657 -0.534 -1.532 324 HA SER 30 HA SER 30 9.746 1.787 -3.001 325 1HB SER 30 2HB SER 30 8.785 -1.113 -3.101 326 2HB SER 30 3HB SER 30 8.308 0.215 -4.170 327 HG SER 30 HG SER 30 10.869 -0.957 -3.893 328 QB SER 30 QB SER 30 8.547 -0.449 -3.635 329 H ILE 31 HN ILE 31 8.405 -0.286 -0.447 330 HA ILE 31 HA ILE 31 5.757 0.836 -0.480 331 HB ILE 31 HB ILE 31 7.278 -0.623 1.714 332 1HG1 ILE 31 2HG1 ILE 31 7.113 -2.084 -0.173 333 2HG1 ILE 31 3HG1 ILE 31 5.930 -2.567 1.016 334 1HG2 ILE 31 1HG2 ILE 31 4.340 0.049 1.507 335 2HG2 ILE 31 2HG2 ILE 31 5.083 -1.088 2.672 336 3HG2 ILE 31 3HG2 ILE 31 5.512 0.623 2.698 337 1HD1 ILE 31 2HD1 ILE 31 4.203 -1.227 -0.401 338 2HD1 ILE 31 3HD1 ILE 31 5.471 -1.148 -1.640 339 3HD1 ILE 31 1HD1 ILE 31 4.848 -2.716 -1.106 340 QG1 ILE 31 QG1 ILE 31 6.521 -2.326 0.421 341 QG2 ILE 31 QG2 ILE 31 4.978 -0.138 2.293 342 QD1 ILE 31 QD1 ILE 31 4.840 -1.697 -1.049 343 H GLU 32 HN GLU 32 8.542 1.532 1.735 344 HA GLU 32 HA GLU 32 7.393 3.649 3.121 345 1HB GLU 32 2HB GLU 32 9.651 2.597 3.574 346 2HB GLU 32 3HB GLU 32 10.303 3.484 2.186 347 1HG GLU 32 2HG GLU 32 10.844 4.769 4.128 348 2HG GLU 32 3HG GLU 32 9.504 5.644 3.390 349 QB GLU 32 QB GLU 32 9.977 3.040 2.879 350 QG GLU 32 QG GLU 32 10.174 5.206 3.759 351 H GLN 33 HN GLN 33 9.271 3.787 0.049 352 HA GLN 33 HA GLN 33 8.877 6.580 -0.315 353 1HB GLN 33 2HB GLN 33 9.538 4.351 -2.263 354 2HB GLN 33 3HB GLN 33 9.304 6.028 -2.762 355 1HG GLN 33 2HG GLN 33 11.381 6.534 -2.301 356 2HG GLN 33 3HG GLN 33 11.064 6.283 -0.592 357 1HE2 GLN 33 2HE2 GLN 33 12.959 3.255 -2.684 358 2HE2 GLN 33 1HE2 GLN 33 11.682 4.148 -3.493 359 QB GLN 33 QB GLN 33 9.421 5.190 -2.512 360 QG GLN 33 QG GLN 33 11.223 6.408 -1.447 361 QE2 GLN 33 QE2 GLN 33 12.321 3.702 -3.088 362 H LEU 34 HN LEU 34 6.558 3.952 -0.711 363 HA LEU 34 HA LEU 34 4.851 5.526 -2.462 364 1HB LEU 34 2HB LEU 34 4.960 2.927 -2.252 365 2HB LEU 34 3HB LEU 34 3.946 3.131 -0.824 366 HG LEU 34 HG LEU 34 2.569 2.581 -2.671 367 1HD1 LEU 34 1HD1 LEU 34 1.597 4.422 -1.260 368 2HD1 LEU 34 2HD1 LEU 34 2.138 5.566 -2.531 369 3HD1 LEU 34 3HD1 LEU 34 0.986 4.288 -2.923 370 1HD2 LEU 34 3HD2 LEU 34 3.949 4.815 -4.237 371 2HD2 LEU 34 1HD2 LEU 34 4.036 3.077 -4.523 372 3HD2 LEU 34 2HD2 LEU 34 2.522 3.961 -4.781 373 QB LEU 34 QB LEU 34 4.453 3.030 -1.539 374 QD1 LEU 34 QD1 LEU 34 1.574 4.758 -2.238 375 QD2 LEU 34 QD2 LEU 34 3.503 3.951 -4.514 376 QQD LEU 34 QQD LEU 34 2.538 4.355 -3.376 377 H GLU 35 HN GLU 35 4.974 4.575 0.968 378 HA GLU 35 HA GLU 35 2.876 6.170 1.866 379 1HB GLU 35 2HB GLU 35 5.404 5.141 3.147 380 2HB GLU 35 3HB GLU 35 4.500 6.412 3.963 381 1HG GLU 35 2HG GLU 35 3.696 4.410 4.869 382 2HG GLU 35 3HG GLU 35 2.418 4.963 3.801 383 QB GLU 35 QB GLU 35 4.953 5.777 3.555 384 QG GLU 35 QG GLU 35 3.057 4.687 4.334 385 H ASN 36 HN ASN 36 6.277 7.279 1.134 386 HA ASN 36 HA ASN 36 5.429 10.017 1.747 387 1HB ASN 36 2HB ASN 36 7.454 10.845 1.324 388 2HB ASN 36 3HB ASN 36 7.771 9.255 2.012 389 1HD2 ASN 36 2HD2 ASN 36 10.120 8.796 -0.571 390 2HD2 ASN 36 1HD2 ASN 36 9.696 8.640 1.124 391 QB ASN 36 QB ASN 36 7.612 10.050 1.668 392 QD2 ASN 36 QD2 ASN 36 9.908 8.718 0.276 393 H GLY 37 HN GLY 37 4.407 8.189 -0.752 394 1HA GLY 37 1HA GLY 37 3.147 8.721 -2.555 395 2HA GLY 37 2HA GLY 37 3.214 10.411 -2.054 396 QA GLY 37 QA GLY 37 3.181 9.566 -2.306 397 H LYS 38 HN LYS 38 5.895 8.186 -3.064 398 HA LYS 38 HA LYS 38 6.976 10.158 -4.800 399 1HB LYS 38 2HB LYS 38 8.579 8.574 -5.469 400 2HB LYS 38 3HB LYS 38 8.319 8.411 -3.734 401 1HG LYS 38 2HG LYS 38 7.445 6.302 -3.908 402 2HG LYS 38 3HG LYS 38 6.646 6.563 -5.417 403 1HD LYS 38 2HD LYS 38 9.676 6.577 -5.406 404 2HD LYS 38 3HD LYS 38 8.860 5.042 -5.147 405 1HE LYS 38 2HE LYS 38 8.382 4.782 -7.311 406 2HE LYS 38 3HE LYS 38 7.551 6.337 -7.397 407 1HZ LYS 38 2HZ LYS 38 10.452 6.011 -7.711 408 2HZ LYS 38 3HZ LYS 38 9.363 6.193 -8.928 409 3HZ LYS 38 1HZ LYS 38 9.588 7.412 -7.853 410 QB LYS 38 QB LYS 38 8.449 8.492 -4.601 411 QG LYS 38 QG LYS 38 7.046 6.433 -4.663 412 QD LYS 38 QD LYS 38 9.268 5.809 -5.277 413 QE LYS 38 QE LYS 38 7.966 5.560 -7.354 414 QZ LYS 38 QZ LYS 38 9.802 6.539 -8.164 415 H THR 39 HN THR 39 4.168 8.386 -5.537 416 HA THR 39 HA THR 39 4.275 9.297 -8.252 417 HB THR 39 HB THR 39 5.481 7.241 -8.554 418 HG1 THR 39 1HG THR 39 3.817 6.139 -9.930 419 1HG2 THR 39 3HG2 THR 39 4.659 5.943 -6.573 420 2HG2 THR 39 1HG2 THR 39 3.124 5.685 -7.423 421 3HG2 THR 39 2HG2 THR 39 4.635 5.029 -8.087 422 QG2 THR 39 QG2 THR 39 4.139 5.552 -7.361 423 H LYS 40 HN LYS 40 2.239 8.829 -9.348 424 HA LYS 40 HA LYS 40 -0.077 9.041 -7.537 425 1HB LYS 40 2HB LYS 40 -1.350 9.649 -9.430 426 2HB LYS 40 3HB LYS 40 0.164 10.558 -9.470 427 1HG LYS 40 2HG LYS 40 1.011 8.867 -11.193 428 2HG LYS 40 3HG LYS 40 -0.640 8.182 -11.197 429 1HD LYS 40 2HD LYS 40 -1.423 10.625 -11.637 430 2HD LYS 40 3HD LYS 40 0.250 10.952 -12.076 431 1HE LYS 40 2HE LYS 40 -1.707 8.982 -13.373 432 2HE LYS 40 3HE LYS 40 -1.070 10.477 -14.067 433 1HZ LYS 40 1HZ LYS 40 1.153 9.408 -13.961 434 2HZ LYS 40 2HZ LYS 40 0.414 7.989 -13.563 435 3HZ LYS 40 3HZ LYS 40 0.099 8.705 -15.007 436 QB LYS 40 QB LYS 40 -0.593 10.104 -9.450 437 QG LYS 40 QG LYS 40 0.186 8.525 -11.196 438 QD LYS 40 QD LYS 40 -0.587 10.789 -11.856 439 QE LYS 40 QE LYS 40 -1.388 9.730 -13.720 440 QZ LYS 40 QZ LYS 40 0.555 8.701 -14.177 441 NH1 ARG 41 NH2 ARG 41 -5.090 4.525 -13.465 442 NH2 ARG 41 NH1 ARG 41 -3.870 4.401 -15.423 443 H ARG 41 HN ARG 41 1.200 6.809 -10.035 444 HA ARG 41 HA ARG 41 -0.569 4.681 -9.009 445 1HB ARG 41 2HB ARG 41 -1.741 5.665 -10.885 446 2HB ARG 41 3HB ARG 41 -0.374 5.350 -11.966 447 1HG ARG 41 2HG ARG 41 -0.729 3.001 -11.922 448 2HG ARG 41 3HG ARG 41 -1.535 3.074 -10.360 449 1HD ARG 41 2HD ARG 41 -3.242 2.541 -11.846 450 2HD ARG 41 3HD ARG 41 -3.473 4.237 -11.403 451 HE ARG 41 HE ARG 41 -1.993 3.680 -13.899 452 1HH1 ARG 41 2HH2 ARG 41 -5.165 4.389 -12.469 453 2HH1 ARG 41 1HH2 ARG 41 -5.914 4.828 -13.965 454 1HH2 ARG 41 2HH1 ARG 41 -3.030 4.159 -15.929 455 2HH2 ARG 41 1HH1 ARG 41 -4.679 4.684 -15.959 456 QB ARG 41 QB ARG 41 -1.057 5.508 -11.425 457 QG ARG 41 QG ARG 41 -1.132 3.038 -11.140 458 QD ARG 41 QD ARG 41 -3.357 3.388 -11.625 459 QH1 ARG 41 QH2 ARG 41 -5.539 4.608 -13.217 460 QH2 ARG 41 QH1 ARG 41 -3.854 4.421 -15.944 461 HA PRO 42 HA PRO 42 3.688 3.003 -9.619 462 1HB PRO 42 2HB PRO 42 3.621 1.077 -7.680 463 2HB PRO 42 3HB PRO 42 3.803 2.787 -7.258 464 1HG PRO 42 2HG PRO 42 1.297 1.115 -7.270 465 2HG PRO 42 3HG PRO 42 1.843 2.216 -5.994 466 1HD PRO 42 2HD PRO 42 0.006 2.900 -7.982 467 2HD PRO 42 3HD PRO 42 1.014 4.102 -7.173 468 QB PRO 42 QB PRO 42 3.713 1.933 -7.468 469 QG PRO 42 QG PRO 42 1.570 1.665 -6.632 470 QD PRO 42 QD PRO 42 0.509 3.500 -7.577 471 NH1 ARG 43 NH2 ARG 43 7.310 0.779 -8.929 472 NH2 ARG 43 NH1 ARG 43 8.780 -0.212 -7.438 473 H ARG 43 HN ARG 43 4.383 0.763 -10.059 474 HA ARG 43 HA ARG 43 2.678 -0.670 -11.842 475 1HB ARG 43 2HB ARG 43 4.546 -2.299 -11.905 476 2HB ARG 43 3HB ARG 43 5.157 -0.643 -11.973 477 1HG ARG 43 2HG ARG 43 5.339 -0.943 -9.315 478 2HG ARG 43 3HG ARG 43 5.295 -2.654 -9.703 479 1HD ARG 43 2HD ARG 43 7.325 -2.584 -10.884 480 2HD ARG 43 3HD ARG 43 7.287 -0.848 -11.138 481 HE ARG 43 HE ARG 43 8.395 -2.258 -8.891 482 1HH1 ARG 43 2HH2 ARG 43 6.769 0.703 -9.776 483 2HH1 ARG 43 1HH2 ARG 43 7.312 1.647 -8.418 484 1HH2 ARG 43 2HH1 ARG 43 9.303 -1.011 -7.103 485 2HH2 ARG 43 1HH1 ARG 43 8.893 0.650 -6.927 486 QB ARG 43 QB ARG 43 4.851 -1.471 -11.939 487 QG ARG 43 QG ARG 43 5.317 -1.798 -9.509 488 QD ARG 43 QD ARG 43 7.306 -1.716 -11.012 489 QH1 ARG 43 QH2 ARG 43 7.040 1.175 -9.097 490 QH2 ARG 43 QH1 ARG 43 9.097 -0.181 -7.015 491 H PHE 44 HN PHE 44 3.389 -1.105 -8.381 492 HA PHE 44 HA PHE 44 1.969 -3.702 -8.425 493 1HB PHE 44 2HB PHE 44 2.688 -3.744 -6.021 494 2HB PHE 44 3HB PHE 44 3.954 -3.774 -7.219 495 HD1 PHE 44 1HD PHE 44 2.040 -1.240 -5.108 496 HD2 PHE 44 2HD PHE 44 5.841 -2.506 -6.705 497 HE1 PHE 44 1HE PHE 44 3.118 0.707 -4.073 498 HE2 PHE 44 2HE PHE 44 6.919 -0.596 -5.609 499 HZ PHE 44 HZ PHE 44 5.564 1.062 -4.314 500 QB PHE 44 QB PHE 44 3.321 -3.759 -6.620 501 QR PHE 44 QR PHE 44 4.480 -0.909 -5.373 502 H LEU 45 HN LEU 45 0.571 -0.984 -8.830 503 HA LEU 45 HA LEU 45 -0.778 -0.411 -6.406 504 1HB LEU 45 2HB LEU 45 -0.577 0.922 -8.601 505 2HB LEU 45 3HB LEU 45 -2.023 0.110 -9.111 506 HG LEU 45 HG LEU 45 -2.321 2.394 -8.174 507 1HD1 LEU 45 3HD1 LEU 45 -4.080 0.708 -8.288 508 2HD1 LEU 45 1HD1 LEU 45 -3.792 0.290 -6.582 509 3HD1 LEU 45 2HD1 LEU 45 -4.342 1.924 -7.012 510 1HD2 LEU 45 2HD2 LEU 45 -0.700 2.171 -6.134 511 2HD2 LEU 45 3HD2 LEU 45 -2.266 2.946 -5.884 512 3HD2 LEU 45 1HD2 LEU 45 -1.990 1.270 -5.385 513 QB LEU 45 QB LEU 45 -1.300 0.516 -8.856 514 QD1 LEU 45 QD1 LEU 45 -4.071 0.974 -7.294 515 QD2 LEU 45 QD2 LEU 45 -1.652 2.128 -5.801 516 QQD LEU 45 QQD LEU 45 -2.861 1.551 -6.547 517 HA PRO 46 HA PRO 46 -4.278 -3.429 -7.717 518 1HB PRO 46 2HB PRO 46 -3.403 -5.600 -9.317 519 2HB PRO 46 3HB PRO 46 -4.491 -4.270 -9.786 520 1HG PRO 46 2HG PRO 46 -1.701 -4.710 -10.558 521 2HG PRO 46 3HG PRO 46 -2.876 -3.552 -11.229 522 1HD PRO 46 2HD PRO 46 -0.693 -3.079 -9.453 523 2HD PRO 46 3HD PRO 46 -1.840 -1.875 -10.070 524 QB PRO 46 QB PRO 46 -3.948 -4.935 -9.552 525 QG PRO 46 QG PRO 46 -2.289 -4.130 -10.893 526 QD PRO 46 QD PRO 46 -1.267 -2.478 -9.762 527 H GLU 47 HN GLU 47 -0.989 -4.939 -7.743 528 HA GLU 47 HA GLU 47 -1.483 -7.073 -6.048 529 1HB GLU 47 2HB GLU 47 0.980 -5.324 -6.398 530 2HB GLU 47 3HB GLU 47 0.961 -6.781 -5.398 531 1HG GLU 47 2HG GLU 47 1.867 -7.292 -7.589 532 2HG GLU 47 3HG GLU 47 0.354 -8.164 -7.327 533 QB GLU 47 QB GLU 47 0.971 -6.052 -5.897 534 QG GLU 47 QG GLU 47 1.111 -7.727 -7.458 535 H LEU 48 HN LEU 48 -0.576 -3.729 -5.095 536 HA LEU 48 HA LEU 48 -0.690 -4.112 -2.262 537 1HB LEU 48 2HB LEU 48 0.274 -2.190 -3.640 538 2HB LEU 48 3HB LEU 48 -1.354 -1.607 -3.809 539 HG LEU 48 HG LEU 48 -0.551 -0.300 -2.075 540 1HD1 LEU 48 2HD1 LEU 48 -2.495 -1.466 -0.933 541 2HD1 LEU 48 3HD1 LEU 48 -1.354 -2.694 -0.363 542 3HD1 LEU 48 1HD1 LEU 48 -1.206 -1.013 0.163 543 1HD2 LEU 48 2HD2 LEU 48 1.675 -1.482 -2.010 544 2HD2 LEU 48 3HD2 LEU 48 1.082 -0.939 -0.430 545 3HD2 LEU 48 1HD2 LEU 48 0.913 -2.644 -0.895 546 QB LEU 48 QB LEU 48 -0.540 -1.899 -3.724 547 QD1 LEU 48 QD1 LEU 48 -1.685 -1.725 -0.378 548 QD2 LEU 48 QD2 LEU 48 1.224 -1.688 -1.112 549 QQD LEU 48 QQD LEU 48 -0.231 -1.706 -0.744 550 H ALA 49 HN ALA 49 -3.202 -3.091 -4.622 551 HA ALA 49 HA ALA 49 -5.226 -2.665 -2.740 552 1HB ALA 49 2HB ALA 49 -5.074 -2.496 -5.507 553 2HB ALA 49 3HB ALA 49 -6.247 -3.797 -5.273 554 3HB ALA 49 1HB ALA 49 -6.500 -2.214 -4.521 555 QB ALA 49 QB ALA 49 -5.941 -2.835 -5.100 556 H SER 50 HN SER 50 -4.590 -5.645 -4.601 557 HA SER 50 HA SER 50 -6.410 -7.354 -3.233 558 1HB SER 50 2HB SER 50 -3.822 -7.867 -4.746 559 2HB SER 50 3HB SER 50 -4.816 -9.171 -4.065 560 HG SER 50 HG SER 50 -5.797 -7.154 -5.816 561 QB SER 50 QB SER 50 -4.320 -8.519 -4.405 562 H ALA 51 HN ALA 51 -2.966 -6.616 -2.492 563 HA ALA 51 HA ALA 51 -2.566 -8.477 -0.464 564 1HB ALA 51 2HB ALA 51 -1.369 -5.697 -0.761 565 2HB ALA 51 3HB ALA 51 -0.734 -6.965 0.275 566 3HB ALA 51 1HB ALA 51 -0.746 -7.202 -1.478 567 QB ALA 51 QB ALA 51 -0.950 -6.622 -0.655 568 H LEU 52 HN LEU 52 -4.121 -5.297 -0.244 569 HA LEU 52 HA LEU 52 -4.626 -5.690 2.663 570 1HB LEU 52 2HB LEU 52 -4.654 -3.345 0.778 571 2HB LEU 52 3HB LEU 52 -5.929 -3.384 1.964 572 HG LEU 52 HG LEU 52 -4.499 -2.097 2.999 573 1HD1 LEU 52 1HD1 LEU 52 -5.096 -4.184 4.390 574 2HD1 LEU 52 2HD1 LEU 52 -3.407 -4.684 4.174 575 3HD1 LEU 52 3HD1 LEU 52 -3.762 -3.163 4.991 576 1HD2 LEU 52 2HD2 LEU 52 -2.622 -2.326 1.512 577 2HD2 LEU 52 3HD2 LEU 52 -2.165 -2.207 3.218 578 3HD2 LEU 52 1HD2 LEU 52 -2.092 -3.792 2.389 579 QB LEU 52 QB LEU 52 -5.292 -3.364 1.371 580 QD1 LEU 52 QD1 LEU 52 -4.089 -4.010 4.519 581 QD2 LEU 52 QD2 LEU 52 -2.293 -2.775 2.373 582 QQD LEU 52 QQD LEU 52 -3.191 -3.393 3.446 583 H GLY 53 HN GLY 53 -6.176 -6.316 -0.317 584 1HA GLY 53 1HA GLY 53 -8.246 -7.086 -0.837 585 2HA GLY 53 2HA GLY 53 -8.656 -7.189 0.884 586 QA GLY 53 QA GLY 53 -8.451 -7.137 0.023 587 H VAL 54 HN VAL 54 -7.704 -4.537 -1.347 588 HA VAL 54 HA VAL 54 -10.310 -3.176 -0.976 589 HB VAL 54 HB VAL 54 -9.228 -1.010 -0.768 590 1HG1 VAL 54 3HG1 VAL 54 -9.670 -2.392 1.318 591 2HG1 VAL 54 1HG1 VAL 54 -7.956 -2.818 1.312 592 3HG1 VAL 54 2HG1 VAL 54 -8.446 -1.121 1.487 593 1HG2 VAL 54 2HG2 VAL 54 -6.622 -2.583 -0.918 594 2HG2 VAL 54 3HG2 VAL 54 -7.174 -1.274 -1.992 595 3HG2 VAL 54 1HG2 VAL 54 -6.702 -0.940 -0.320 596 QG1 VAL 54 QG1 VAL 54 -8.690 -2.110 1.373 597 QG2 VAL 54 QG2 VAL 54 -6.832 -1.599 -1.077 598 QQG VAL 54 QQG VAL 54 -7.761 -1.855 0.148 599 H SER 55 HN SER 55 -10.519 -1.430 -2.801 600 HA SER 55 HA SER 55 -9.777 -2.728 -5.311 601 1HB SER 55 2HB SER 55 -11.326 -0.804 -6.125 602 2HB SER 55 3HB SER 55 -12.028 -2.104 -5.145 603 HG SER 55 HG SER 55 -12.696 -0.186 -4.235 604 QB SER 55 QB SER 55 -11.676 -1.454 -5.635 605 H VAL 56 HN VAL 56 -8.630 -1.742 -6.936 606 HA VAL 56 HA VAL 56 -6.429 -0.049 -6.459 607 HB VAL 56 HB VAL 56 -8.094 -0.844 -8.875 608 1HG1 VAL 56 2HG1 VAL 56 -6.015 1.349 -8.899 609 2HG1 VAL 56 3HG1 VAL 56 -6.348 0.327 -10.313 610 3HG1 VAL 56 1HG1 VAL 56 -7.632 1.315 -9.604 611 1HG2 VAL 56 3HG2 VAL 56 -5.187 -1.248 -8.056 612 2HG2 VAL 56 1HG2 VAL 56 -6.491 -2.444 -7.978 613 3HG2 VAL 56 2HG2 VAL 56 -5.917 -1.859 -9.550 614 QG1 VAL 56 QG1 VAL 56 -6.665 0.997 -9.605 615 QG2 VAL 56 QG2 VAL 56 -5.866 -1.851 -8.528 616 QQG VAL 56 QQG VAL 56 -6.266 -0.427 -9.067 617 H ASP 57 HN ASP 57 -9.777 0.852 -7.511 618 HA ASP 57 HA ASP 57 -9.484 3.564 -7.759 619 1HB ASP 57 2HB ASP 57 -11.844 2.167 -6.454 620 2HB ASP 57 3HB ASP 57 -11.851 3.671 -7.394 621 QB ASP 57 QB ASP 57 -11.847 2.919 -6.925 622 CH2 TRP 58 CH2 TRP 58 -7.193 1.794 2.560 623 H TRP 58 HN TRP 58 -9.641 1.755 -4.642 624 HA TRP 58 HA TRP 58 -9.954 4.250 -3.185 625 1HB TRP 58 2HB TRP 58 -11.026 2.341 -2.278 626 2HB TRP 58 3HB TRP 58 -9.511 1.444 -2.210 627 HD1 TRP 58 HD1 TRP 58 -11.380 4.304 -0.292 628 HE1 TRP 58 HE1 TRP 58 -10.438 4.608 1.898 629 HE3 TRP 58 HE3 TRP 58 -7.353 1.188 -0.798 630 HZ2 TRP 58 HZ2 TRP 58 -8.530 3.099 3.648 631 HZ3 TRP 58 HZ3 TRP 58 -5.914 0.744 1.189 632 HH2 TRP 58 HH2 TRP 58 -6.526 1.636 3.390 633 QB TRP 58 QB TRP 58 -10.268 1.893 -2.243 634 H LEU 59 HN LEU 59 -7.382 1.979 -3.979 635 HA LEU 59 HA LEU 59 -5.308 3.227 -2.421 636 1HB LEU 59 2HB LEU 59 -5.568 1.136 -4.536 637 2HB LEU 59 3HB LEU 59 -4.037 1.973 -4.547 638 HG LEU 59 HG LEU 59 -5.261 0.429 -2.232 639 1HD1 LEU 59 2HD1 LEU 59 -4.113 -0.640 -4.287 640 2HD1 LEU 59 3HD1 LEU 59 -2.627 0.132 -3.685 641 3HD1 LEU 59 1HD1 LEU 59 -3.487 -1.055 -2.692 642 1HD2 LEU 59 2HD2 LEU 59 -2.889 2.339 -2.278 643 2HD2 LEU 59 3HD2 LEU 59 -4.095 2.091 -0.989 644 3HD2 LEU 59 1HD2 LEU 59 -2.842 0.887 -1.265 645 QB LEU 59 QB LEU 59 -4.802 1.554 -4.542 646 QD1 LEU 59 QD1 LEU 59 -3.409 -0.521 -3.554 647 QD2 LEU 59 QD2 LEU 59 -3.275 1.772 -1.511 648 QQD LEU 59 QQD LEU 59 -3.342 0.625 -2.533 649 H LEU 60 HN LEU 60 -6.506 3.710 -5.682 650 HA LEU 60 HA LEU 60 -4.925 6.058 -6.155 651 1HB LEU 60 2HB LEU 60 -7.623 5.254 -7.256 652 2HB LEU 60 3HB LEU 60 -6.695 6.676 -7.771 653 HG LEU 60 HG LEU 60 -5.543 3.857 -7.881 654 1HD1 LEU 60 3HD1 LEU 60 -6.973 5.410 -10.065 655 2HD1 LEU 60 1HD1 LEU 60 -6.095 3.877 -10.279 656 3HD1 LEU 60 2HD1 LEU 60 -7.549 3.931 -9.270 657 1HD2 LEU 60 1HD2 LEU 60 -3.913 5.855 -7.977 658 2HD2 LEU 60 2HD2 LEU 60 -3.896 4.762 -9.337 659 3HD2 LEU 60 3HD2 LEU 60 -4.734 6.325 -9.472 660 QB LEU 60 QB LEU 60 -7.159 5.965 -7.514 661 QD1 LEU 60 QD1 LEU 60 -6.872 4.406 -9.872 662 QD2 LEU 60 QD2 LEU 60 -4.181 5.647 -8.929 663 QQD LEU 60 QQD LEU 60 -5.527 5.026 -9.400 664 H ASN 61 HN ASN 61 -8.481 6.085 -4.936 665 HA ASN 61 HA ASN 61 -7.451 8.104 -3.038 666 1HB ASN 61 2HB ASN 61 -9.288 9.645 -4.683 667 2HB ASN 61 3HB ASN 61 -7.631 9.952 -4.202 668 1HD2 ASN 61 2HD2 ASN 61 -8.437 8.268 -7.896 669 2HD2 ASN 61 1HD2 ASN 61 -9.491 7.854 -6.559 670 QB ASN 61 QB ASN 61 -8.459 9.799 -4.443 671 QD2 ASN 61 QD2 ASN 61 -8.964 8.061 -7.228 672 H GLY 62 HN GLY 62 -9.056 5.844 -2.428 673 1HA GLY 62 1HA GLY 62 -11.720 6.960 -2.339 674 2HA GLY 62 2HA GLY 62 -11.384 5.366 -2.011 675 QA GLY 62 QA GLY 62 -11.552 6.162 -2.175 676 H THR 63 HN THR 63 -9.365 7.027 -0.142 677 HA THR 63 HA THR 63 -9.198 7.272 2.014 678 HB THR 63 HB THR 63 -9.657 9.455 2.642 679 HG1 THR 63 1HG THR 63 -11.068 10.412 0.573 680 1HG2 THR 63 1HG2 THR 63 -8.061 8.882 0.674 681 2HG2 THR 63 2HG2 THR 63 -9.349 9.403 -0.416 682 3HG2 THR 63 3HG2 THR 63 -8.595 10.572 0.679 683 QG2 THR 63 QG2 THR 63 -8.668 9.618 0.313 684 H SER 64 HN SER 64 -11.952 6.287 1.781 685 HA SER 64 HA SER 64 -11.645 4.856 4.228 686 1HB SER 64 2HB SER 64 -12.707 7.319 4.839 687 2HB SER 64 3HB SER 64 -14.177 6.374 4.611 688 HG SER 64 HG SER 64 -13.208 6.312 6.779 689 QB SER 64 QB SER 64 -13.442 6.846 4.724 690 H ASP 65 HN ASP 65 -12.661 2.948 3.993 691 HA ASP 65 HA ASP 65 -13.858 1.254 3.229 692 1HB ASP 65 2HB ASP 65 -15.860 2.699 3.758 693 2HB ASP 65 3HB ASP 65 -15.934 3.110 2.037 694 QB ASP 65 QB ASP 65 -15.897 2.904 2.897 695 H SER 66 HN SER 66 -14.278 0.069 1.239 696 HA SER 66 HA SER 66 -11.981 0.632 -0.555 697 1HB SER 66 2HB SER 66 -13.835 -1.756 -0.236 698 2HB SER 66 3HB SER 66 -12.452 -1.700 -1.342 699 HG SER 66 HG SER 66 -12.087 -0.971 1.345 700 QB SER 66 QB SER 66 -13.144 -1.728 -0.789 701 H ASN 67 HN ASN 67 -13.353 2.546 -1.267 702 HA ASN 67 HA ASN 67 -14.103 3.631 -3.126 703 1HB ASN 67 2HB ASN 67 -13.230 1.898 -4.616 704 2HB ASN 67 3HB ASN 67 -14.713 0.947 -4.439 705 1HD2 ASN 67 2HD2 ASN 67 -14.804 4.328 -6.743 706 2HD2 ASN 67 1HD2 ASN 67 -13.506 4.142 -5.576 707 QB ASN 67 QB ASN 67 -13.971 1.422 -4.528 708 QD2 ASN 67 QD2 ASN 67 -14.155 4.234 -6.159 709 H VAL 68 HN VAL 68 -15.514 4.228 -1.351 710 HA VAL 68 HA VAL 68 -18.128 3.140 -1.056 711 HB VAL 68 HB VAL 68 -16.906 4.632 0.547 712 1HG1 VAL 68 3HG1 VAL 68 -16.104 6.363 -1.053 713 2HG1 VAL 68 1HG1 VAL 68 -17.778 6.914 -1.278 714 3HG1 VAL 68 2HG1 VAL 68 -17.002 7.050 0.309 715 1HG2 VAL 68 1HG2 VAL 68 -19.350 4.167 0.722 716 2HG2 VAL 68 2HG2 VAL 68 -18.849 5.712 1.424 717 3HG2 VAL 68 3HG2 VAL 68 -19.671 5.689 -0.142 718 QG1 VAL 68 QG1 VAL 68 -16.961 6.776 -0.674 719 QG2 VAL 68 QG2 VAL 68 -19.290 5.189 0.668 720 QQG VAL 68 QQG VAL 68 -18.126 5.982 -0.003 721 NH1 ARG 69 NH2 ARG 69 -22.782 1.364 -8.208 722 NH2 ARG 69 NH1 ARG 69 -24.672 2.614 -7.713 723 H ARG 69 HN ARG 69 -20.237 4.349 -1.740 724 HA ARG 69 HA ARG 69 -20.138 5.926 -4.112 725 1HB ARG 69 2HB ARG 69 -19.844 3.180 -4.582 726 2HB ARG 69 3HB ARG 69 -21.597 3.358 -4.553 727 1HG ARG 69 2HG ARG 69 -21.174 5.376 -6.199 728 2HG ARG 69 3HG ARG 69 -19.540 4.697 -6.344 729 1HD ARG 69 2HD ARG 69 -20.801 3.722 -8.124 730 2HD ARG 69 3HD ARG 69 -20.653 2.463 -6.873 731 HE ARG 69 HE ARG 69 -23.016 4.116 -6.530 732 1HH1 ARG 69 2HH2 ARG 69 -21.783 1.247 -8.140 733 2HH1 ARG 69 1HH2 ARG 69 -23.329 0.640 -8.648 734 1HH2 ARG 69 2HH1 ARG 69 -25.092 3.443 -7.314 735 2HH2 ARG 69 1HH1 ARG 69 -25.271 1.943 -8.168 736 QB ARG 69 QB ARG 69 -20.721 3.269 -4.567 737 QG ARG 69 QG ARG 69 -20.357 5.037 -6.272 738 QD ARG 69 QD ARG 69 -20.728 3.092 -7.498 739 QH1 ARG 69 QH2 ARG 69 -22.556 0.944 -8.394 740 QH2 ARG 69 QH1 ARG 69 -25.182 2.693 -7.742 Start of MODEL 12 Raw file had 740 H/Q atoms Start of MODEL 12 1 H SER 1 HN SER 1 -5.186 11.518 3.316 2 HA SER 1 HA SER 1 -3.629 11.660 1.617 3 1HB SER 1 2HB SER 1 -1.692 10.733 3.822 4 2HB SER 1 3HB SER 1 -1.180 11.134 2.165 5 HG SER 1 HG SER 1 -1.445 13.191 2.628 6 QB SER 1 QB SER 1 -1.436 10.934 2.993 7 H ILE 2 HN ILE 2 -2.197 9.976 0.395 8 HA ILE 2 HA ILE 2 -2.908 7.283 0.463 9 HB ILE 2 HB ILE 2 -1.884 8.187 -1.391 10 1HG1 ILE 2 2HG1 ILE 2 -1.669 5.838 -1.178 11 2HG1 ILE 2 3HG1 ILE 2 -0.300 6.535 -2.022 12 1HG2 ILE 2 1HG2 ILE 2 0.173 9.284 0.346 13 2HG2 ILE 2 2HG2 ILE 2 0.851 8.439 -1.057 14 3HG2 ILE 2 3HG2 ILE 2 -0.342 9.725 -1.277 15 1HD1 ILE 2 2HD1 ILE 2 1.050 6.278 0.134 16 2HD1 ILE 2 3HD1 ILE 2 -0.298 5.291 0.756 17 3HD1 ILE 2 1HD1 ILE 2 0.523 4.774 -0.669 18 QG1 ILE 2 QG1 ILE 2 -0.984 6.187 -1.600 19 QG2 ILE 2 QG2 ILE 2 0.227 9.149 -0.663 20 QD1 ILE 2 QD1 ILE 2 0.425 5.448 0.074 21 H SER 3 HN SER 3 0.246 8.466 2.080 22 HA SER 3 HA SER 3 0.866 6.097 3.211 23 1HB SER 3 2HB SER 3 2.335 7.893 3.668 24 2HB SER 3 3HB SER 3 1.095 8.856 4.509 25 HG SER 3 HG SER 3 2.251 6.387 5.350 26 QB SER 3 QB SER 3 1.714 8.375 4.089 27 H SER 4 HN SER 4 -1.360 8.379 4.804 28 HA SER 4 HA SER 4 -1.995 6.923 7.032 29 1HB SER 4 2HB SER 4 -2.766 9.287 6.342 30 2HB SER 4 3HB SER 4 -4.136 8.464 5.545 31 HG SER 4 HG SER 4 -4.412 7.443 7.717 32 QB SER 4 QB SER 4 -3.451 8.876 5.943 33 NH1 ARG 5 NH2 ARG 5 -5.079 4.587 -0.519 34 NH2 ARG 5 NH1 ARG 5 -4.515 6.345 -1.924 35 H ARG 5 HN ARG 5 -3.297 6.256 3.748 36 HA ARG 5 HA ARG 5 -5.520 4.624 4.785 37 1HB ARG 5 2HB ARG 5 -4.479 4.433 1.974 38 2HB ARG 5 3HB ARG 5 -6.113 4.255 2.615 39 1HG ARG 5 2HG ARG 5 -5.934 6.755 3.251 40 2HG ARG 5 3HG ARG 5 -4.579 6.722 2.084 41 1HD ARG 5 2HD ARG 5 -7.196 5.607 1.164 42 2HD ARG 5 3HD ARG 5 -7.095 7.336 1.455 43 HE ARG 5 HE ARG 5 -6.008 7.641 -0.476 44 1HH1 ARG 5 2HH2 ARG 5 -5.656 4.241 0.234 45 2HH1 ARG 5 1HH2 ARG 5 -4.483 3.952 -1.026 46 1HH2 ARG 5 2HH1 ARG 5 -4.545 7.324 -2.163 47 2HH2 ARG 5 1HH1 ARG 5 -4.204 5.710 -2.662 48 QB ARG 5 QB ARG 5 -5.297 4.344 2.294 49 QG ARG 5 QG ARG 5 -5.256 6.738 2.668 50 QD ARG 5 QD ARG 5 -7.145 6.471 1.310 51 QH1 ARG 5 QH2 ARG 5 -5.069 4.097 -0.396 52 QH2 ARG 5 QH1 ARG 5 -4.374 6.517 -2.412 53 H VAL 6 HN VAL 6 -2.363 4.087 3.218 54 HA VAL 6 HA VAL 6 -2.659 1.200 3.190 55 HB VAL 6 HB VAL 6 -0.317 3.083 2.760 56 1HG1 VAL 6 2HG1 VAL 6 -0.468 0.060 2.323 57 2HG1 VAL 6 3HG1 VAL 6 0.882 1.124 1.844 58 3HG1 VAL 6 1HG1 VAL 6 0.462 0.927 3.556 59 1HG2 VAL 6 1HG2 VAL 6 -2.037 1.457 0.843 60 2HG2 VAL 6 2HG2 VAL 6 -2.011 3.227 0.991 61 3HG2 VAL 6 3HG2 VAL 6 -0.585 2.367 0.386 62 QG1 VAL 6 QG1 VAL 6 0.292 0.704 2.574 63 QG2 VAL 6 QG2 VAL 6 -1.544 2.350 0.740 64 QQG VAL 6 QQG VAL 6 -0.626 1.527 1.657 65 H LYS 7 HN LYS 7 -0.980 3.570 5.263 66 HA LYS 7 HA LYS 7 0.113 1.880 7.199 67 1HB LYS 7 2HB LYS 7 0.500 4.333 6.840 68 2HB LYS 7 3HB LYS 7 -1.084 4.645 7.546 69 1HG LYS 7 2HG LYS 7 0.339 5.099 9.260 70 2HG LYS 7 3HG LYS 7 -0.159 3.444 9.664 71 1HD LYS 7 2HD LYS 7 2.010 2.589 8.796 72 2HD LYS 7 3HD LYS 7 2.382 4.167 8.108 73 1HE LYS 7 2HE LYS 7 3.697 3.922 10.102 74 2HE LYS 7 3HE LYS 7 2.505 5.198 10.355 75 1HZ LYS 7 1HZ LYS 7 1.476 2.723 11.190 76 2HZ LYS 7 2HZ LYS 7 2.932 2.972 11.905 77 3HZ LYS 7 3HZ LYS 7 1.738 4.084 12.081 78 QB LYS 7 QB LYS 7 -0.292 4.489 7.192 79 QG LYS 7 QG LYS 7 0.090 4.271 9.462 80 QD LYS 7 QD LYS 7 2.196 3.377 8.452 81 QE LYS 7 QE LYS 7 3.101 4.559 10.228 82 QZ LYS 7 QZ LYS 7 2.048 3.259 11.726 83 H SER 8 HN SER 8 -3.200 3.505 7.284 84 HA SER 8 HA SER 8 -3.889 2.424 9.798 85 1HB SER 8 2HB SER 8 -6.199 2.914 9.223 86 2HB SER 8 3HB SER 8 -5.132 4.247 8.719 87 HG SER 8 HG SER 8 -6.563 3.747 7.047 88 QB SER 8 QB SER 8 -5.666 3.580 8.971 89 H LYS 9 HN LYS 9 -4.272 1.041 6.500 90 HA LYS 9 HA LYS 9 -5.678 -1.222 7.429 91 1HB LYS 9 2HB LYS 9 -5.623 -0.196 5.111 92 2HB LYS 9 3HB LYS 9 -4.034 -0.941 4.889 93 1HG LYS 9 2HG LYS 9 -5.793 -2.296 3.898 94 2HG LYS 9 3HG LYS 9 -5.028 -3.136 5.282 95 1HD LYS 9 2HD LYS 9 -6.863 -3.356 6.401 96 2HD LYS 9 3HD LYS 9 -7.412 -1.687 6.138 97 1HE LYS 9 2HE LYS 9 -7.635 -3.791 3.942 98 2HE LYS 9 3HE LYS 9 -8.816 -3.724 5.252 99 1HZ LYS 9 1HZ LYS 9 -8.188 -1.442 3.520 100 2HZ LYS 9 2HZ LYS 9 -9.501 -2.427 3.371 101 3HZ LYS 9 3HZ LYS 9 -9.323 -1.488 4.711 102 QB LYS 9 QB LYS 9 -4.829 -0.569 5.000 103 QG LYS 9 QG LYS 9 -5.411 -2.716 4.590 104 QD LYS 9 QD LYS 9 -7.138 -2.522 6.270 105 QE LYS 9 QE LYS 9 -8.225 -3.757 4.597 106 QZ LYS 9 QZ LYS 9 -9.003 -1.786 3.868 107 NH1 ARG 10 NH2 ARG 10 2.153 -0.996 3.628 108 NH2 ARG 10 NH1 ARG 10 2.848 1.032 4.486 109 H ARG 10 HN ARG 10 -2.201 -0.599 6.869 110 HA ARG 10 HA ARG 10 -1.102 -3.079 7.569 111 1HB ARG 10 2HB ARG 10 -0.084 -0.554 7.057 112 2HB ARG 10 3HB ARG 10 0.115 -0.588 8.797 113 1HG ARG 10 2HG ARG 10 2.100 -1.566 8.414 114 2HG ARG 10 3HG ARG 10 1.169 -3.033 8.089 115 1HD ARG 10 2HD ARG 10 2.524 -2.797 6.197 116 2HD ARG 10 3HD ARG 10 0.934 -2.207 5.718 117 HE ARG 10 HE ARG 10 2.880 -0.159 6.645 118 1HH1 ARG 10 2HH2 ARG 10 1.793 -1.925 3.776 119 2HH1 ARG 10 1HH2 ARG 10 2.268 -0.654 2.686 120 1HH2 ARG 10 2HH1 ARG 10 3.051 1.611 5.294 121 2HH2 ARG 10 1HH1 ARG 10 2.555 1.610 3.689 122 QB ARG 10 QB ARG 10 0.016 -0.571 7.928 123 QG ARG 10 QG ARG 10 1.634 -2.299 8.251 124 QD ARG 10 QD ARG 10 1.728 -2.502 5.957 125 QH1 ARG 10 QH2 ARG 10 2.030 -1.290 3.231 126 QH2 ARG 10 QH1 ARG 10 2.803 1.611 4.491 127 H ILE 11 HN ILE 11 -2.054 -0.388 9.784 128 HA ILE 11 HA ILE 11 -1.513 -1.761 12.217 129 HB ILE 11 HB ILE 11 -3.411 0.518 11.577 130 1HG1 ILE 11 2HG1 ILE 11 -1.922 1.517 13.426 131 2HG1 ILE 11 3HG1 ILE 11 -0.831 0.174 13.154 132 1HG2 ILE 11 1HG2 ILE 11 -3.043 -0.844 14.276 133 2HG2 ILE 11 2HG2 ILE 11 -3.849 0.723 14.022 134 3HG2 ILE 11 3HG2 ILE 11 -4.573 -0.730 13.361 135 1HD1 ILE 11 1HD1 ILE 11 -1.728 2.218 11.077 136 2HD1 ILE 11 2HD1 ILE 11 -0.240 2.309 12.041 137 3HD1 ILE 11 3HD1 ILE 11 -0.436 0.982 10.864 138 QG1 ILE 11 QG1 ILE 11 -1.376 0.845 13.290 139 QG2 ILE 11 QG2 ILE 11 -3.821 -0.284 13.886 140 QD1 ILE 11 QD1 ILE 11 -0.801 1.837 11.327 141 H GLN 12 HN GLN 12 -4.704 -1.447 10.554 142 HA GLN 12 HA GLN 12 -5.949 -3.163 12.390 143 1HB GLN 12 2HB GLN 12 -7.850 -3.180 11.189 144 2HB GLN 12 3HB GLN 12 -7.081 -1.718 10.567 145 1HG GLN 12 2HG GLN 12 -6.387 -2.973 8.565 146 2HG GLN 12 3HG GLN 12 -7.089 -4.461 9.199 147 1HE2 GLN 12 2HE2 GLN 12 -10.311 -3.785 7.998 148 2HE2 GLN 12 1HE2 GLN 12 -9.183 -4.948 8.660 149 QB GLN 12 QB GLN 12 -7.465 -2.449 10.878 150 QG GLN 12 QG GLN 12 -6.738 -3.717 8.882 151 QE2 GLN 12 QE2 GLN 12 -9.746 -4.367 8.329 152 H LEU 13 HN LEU 13 -4.171 -4.096 9.461 153 HA LEU 13 HA LEU 13 -4.594 -6.939 9.706 154 1HB LEU 13 2HB LEU 13 -2.605 -5.122 8.328 155 2HB LEU 13 3HB LEU 13 -2.243 -6.834 8.475 156 HG LEU 13 HG LEU 13 -4.989 -6.115 7.492 157 1HD1 LEU 13 2HD1 LEU 13 -3.442 -4.669 6.147 158 2HD1 LEU 13 3HD1 LEU 13 -2.550 -6.128 5.660 159 3HD1 LEU 13 1HD1 LEU 13 -4.264 -5.939 5.209 160 1HD2 LEU 13 3HD2 LEU 13 -4.197 -8.479 7.940 161 2HD2 LEU 13 1HD2 LEU 13 -4.665 -8.204 6.246 162 3HD2 LEU 13 2HD2 LEU 13 -2.950 -8.248 6.700 163 QB LEU 13 QB LEU 13 -2.425 -5.979 8.402 164 QD1 LEU 13 QD1 LEU 13 -3.418 -5.579 5.672 165 QD2 LEU 13 QD2 LEU 13 -3.937 -8.310 6.962 166 QQD LEU 13 QQD LEU 13 -3.678 -6.944 6.317 167 H GLY 14 HN GLY 14 -2.338 -4.693 11.290 168 1HA GLY 14 1HA GLY 14 -1.123 -5.010 13.209 169 2HA GLY 14 2HA GLY 14 -1.703 -6.678 13.318 170 QA GLY 14 QA GLY 14 -1.413 -5.844 13.264 171 H LEU 15 HN LEU 15 0.050 -4.949 10.707 172 HA LEU 15 HA LEU 15 2.384 -6.809 10.971 173 1HB LEU 15 2HB LEU 15 0.874 -6.025 8.454 174 2HB LEU 15 3HB LEU 15 2.382 -6.934 8.469 175 HG LEU 15 HG LEU 15 -0.128 -7.982 9.844 176 1HD1 LEU 15 3HD1 LEU 15 -0.502 -7.495 7.376 177 2HD1 LEU 15 1HD1 LEU 15 0.813 -8.607 7.022 178 3HD1 LEU 15 2HD1 LEU 15 -0.667 -9.194 7.845 179 1HD2 LEU 15 2HD2 LEU 15 2.128 -9.072 10.381 180 2HD2 LEU 15 3HD2 LEU 15 0.939 -10.151 9.635 181 3HD2 LEU 15 1HD2 LEU 15 2.246 -9.477 8.664 182 QB LEU 15 QB LEU 15 1.628 -6.480 8.462 183 QD1 LEU 15 QD1 LEU 15 -0.118 -8.432 7.414 184 QD2 LEU 15 QD2 LEU 15 1.771 -9.567 9.560 185 QQD LEU 15 QQD LEU 15 0.826 -8.999 8.487 186 H ASN 16 HN ASN 16 4.294 -5.906 9.699 187 HA ASN 16 HA ASN 16 4.395 -2.949 10.012 188 1HB ASN 16 2HB ASN 16 6.771 -3.116 10.017 189 2HB ASN 16 3HB ASN 16 6.120 -4.237 11.214 190 1HD2 ASN 16 2HD2 ASN 16 8.798 -6.063 9.414 191 2HD2 ASN 16 1HD2 ASN 16 8.713 -4.696 10.507 192 QB ASN 16 QB ASN 16 6.446 -3.676 10.616 193 QD2 ASN 16 QD2 ASN 16 8.756 -5.380 9.961 194 H GLN 17 HN GLN 17 6.031 -1.971 8.338 195 HA GLN 17 HA GLN 17 4.517 -1.999 5.939 196 1HB GLN 17 2HB GLN 17 7.147 -0.654 6.443 197 2HB GLN 17 3HB GLN 17 5.989 -0.233 5.193 198 1HG GLN 17 2HG GLN 17 4.611 -0.113 7.705 199 2HG GLN 17 3HG GLN 17 6.195 0.595 7.971 200 1HE2 GLN 17 2HE2 GLN 17 5.517 3.311 5.552 201 2HE2 GLN 17 1HE2 GLN 17 6.812 2.174 5.849 202 QB GLN 17 QB GLN 17 6.568 -0.444 5.818 203 QG GLN 17 QG GLN 17 5.403 0.241 7.838 204 QE2 GLN 17 QE2 GLN 17 6.164 2.742 5.701 205 H ALA 18 HN ALA 18 7.670 -3.363 6.692 206 HA ALA 18 HA ALA 18 8.351 -4.523 4.265 207 1HB ALA 18 2HB ALA 18 8.922 -5.187 7.144 208 2HB ALA 18 3HB ALA 18 9.570 -6.193 5.827 209 3HB ALA 18 1HB ALA 18 9.980 -4.465 5.915 210 QB ALA 18 QB ALA 18 9.490 -5.282 6.295 211 H GLU 19 HN GLU 19 6.466 -6.190 6.912 212 HA GLU 19 HA GLU 19 5.829 -8.546 5.518 213 1HB GLU 19 2HB GLU 19 4.472 -6.924 7.652 214 2HB GLU 19 3HB GLU 19 3.464 -8.067 6.765 215 1HG GLU 19 2HG GLU 19 6.046 -8.928 8.045 216 2HG GLU 19 3HG GLU 19 4.484 -9.019 8.852 217 QB GLU 19 QB GLU 19 3.967 -7.496 7.208 218 QG GLU 19 QG GLU 19 5.265 -8.973 8.449 219 H LEU 20 HN LEU 20 4.048 -5.377 5.394 220 HA LEU 20 HA LEU 20 2.204 -6.545 3.540 221 1HB LEU 20 2HB LEU 20 1.859 -4.545 4.955 222 2HB LEU 20 3HB LEU 20 2.760 -3.589 3.760 223 HG LEU 20 HG LEU 20 0.488 -5.416 2.879 224 1HD1 LEU 20 2HD1 LEU 20 -0.433 -4.270 4.884 225 2HD1 LEU 20 3HD1 LEU 20 -0.211 -2.711 4.025 226 3HD1 LEU 20 1HD1 LEU 20 -1.214 -3.957 3.327 227 1HD2 LEU 20 1HD2 LEU 20 1.953 -3.296 1.606 228 2HD2 LEU 20 2HD2 LEU 20 0.622 -4.303 0.986 229 3HD2 LEU 20 3HD2 LEU 20 0.264 -2.777 1.770 230 QB LEU 20 QB LEU 20 2.309 -4.067 4.358 231 QD1 LEU 20 QD1 LEU 20 -0.619 -3.646 4.078 232 QD2 LEU 20 QD2 LEU 20 0.947 -3.458 1.454 233 QQD LEU 20 QQD LEU 20 0.163 -3.553 2.766 234 H ALA 21 HN ALA 21 5.244 -4.684 2.993 235 HA ALA 21 HA ALA 21 5.224 -4.661 0.187 236 1HB ALA 21 1HB ALA 21 6.922 -3.589 1.770 237 2HB ALA 21 2HB ALA 21 7.729 -5.170 1.823 238 3HB ALA 21 3HB ALA 21 7.549 -4.326 0.282 239 QB ALA 21 QB ALA 21 7.400 -4.361 1.292 240 H GLN 22 HN GLN 22 6.342 -7.313 2.342 241 HA GLN 22 HA GLN 22 7.066 -9.086 0.196 242 1HB GLN 22 2HB GLN 22 6.313 -9.632 3.107 243 2HB GLN 22 3HB GLN 22 6.691 -10.885 1.928 244 1HG GLN 22 2HG GLN 22 8.757 -10.703 2.761 245 2HG GLN 22 3HG GLN 22 8.905 -9.485 1.502 246 1HE2 GLN 22 2HE2 GLN 22 8.712 -8.367 5.495 247 2HE2 GLN 22 1HE2 GLN 22 7.868 -9.809 4.979 248 QB GLN 22 QB GLN 22 6.503 -10.258 2.517 249 QG GLN 22 QG GLN 22 8.831 -10.094 2.132 250 QE2 GLN 22 QE2 GLN 22 8.290 -9.088 5.237 251 H LYS 23 HN LYS 23 3.976 -8.721 2.045 252 HA LYS 23 HA LYS 23 2.625 -10.818 0.637 253 1HB LYS 23 2HB LYS 23 1.584 -8.368 2.110 254 2HB LYS 23 3HB LYS 23 0.552 -9.628 1.414 255 1HG LYS 23 2HG LYS 23 1.654 -11.345 2.739 256 2HG LYS 23 3HG LYS 23 2.705 -10.158 3.523 257 1HD LYS 23 2HD LYS 23 0.959 -9.176 4.745 258 2HD LYS 23 3HD LYS 23 -0.262 -9.653 3.571 259 1HE LYS 23 2HE LYS 23 -0.858 -11.192 5.089 260 2HE LYS 23 3HE LYS 23 0.428 -12.146 4.378 261 1HZ LYS 23 2HZ LYS 23 1.920 -11.168 6.238 262 2HZ LYS 23 3HZ LYS 23 0.519 -10.594 6.863 263 3HZ LYS 23 1HZ LYS 23 0.694 -12.201 6.673 264 QB LYS 23 QB LYS 23 1.067 -8.998 1.762 265 QG LYS 23 QG LYS 23 2.180 -10.752 3.131 266 QD LYS 23 QD LYS 23 0.348 -9.415 4.158 267 QE LYS 23 QE LYS 23 -0.214 -11.668 4.733 268 QZ LYS 23 QZ LYS 23 1.044 -11.321 6.591 269 H VAL 24 HN VAL 24 3.105 -7.423 -0.171 270 HA VAL 24 HA VAL 24 1.466 -7.393 -2.561 271 HB VAL 24 HB VAL 24 3.868 -5.757 -1.699 272 1HG1 VAL 24 3HG1 VAL 24 1.748 -5.189 -3.797 273 2HG1 VAL 24 1HG1 VAL 24 2.939 -4.002 -3.218 274 3HG1 VAL 24 2HG1 VAL 24 3.485 -5.435 -4.104 275 1HG2 VAL 24 3HG2 VAL 24 1.413 -5.798 -0.427 276 2HG2 VAL 24 1HG2 VAL 24 2.608 -4.473 -0.413 277 3HG2 VAL 24 2HG2 VAL 24 1.264 -4.449 -1.542 278 QG1 VAL 24 QG1 VAL 24 2.724 -4.875 -3.707 279 QG2 VAL 24 QG2 VAL 24 1.762 -4.907 -0.794 280 QQG VAL 24 QQG VAL 24 2.242 -4.891 -2.250 281 H GLY 25 HN GLY 25 4.723 -8.547 -1.766 282 1HA GLY 25 1HA GLY 25 6.193 -9.766 -3.024 283 2HA GLY 25 2HA GLY 25 5.074 -9.735 -4.399 284 QA GLY 25 QA GLY 25 5.633 -9.751 -3.711 285 H THR 26 HN THR 26 6.345 -6.960 -2.565 286 HA THR 26 HA THR 26 8.259 -6.311 -4.753 287 HB THR 26 HB THR 26 6.392 -4.791 -5.087 288 HG1 THR 26 1HG THR 26 7.681 -2.843 -4.824 289 1HG2 THR 26 3HG2 THR 26 5.430 -4.791 -2.833 290 2HG2 THR 26 1HG2 THR 26 6.824 -3.909 -2.196 291 3HG2 THR 26 2HG2 THR 26 5.730 -3.140 -3.381 292 QG2 THR 26 QG2 THR 26 5.994 -3.947 -2.804 293 H THR 27 HN THR 27 9.231 -4.073 -3.255 294 HA THR 27 HA THR 27 10.653 -5.412 -0.996 295 HB THR 27 HB THR 27 12.355 -3.495 -1.758 296 HG1 THR 27 1HG THR 27 11.989 -3.376 -4.174 297 1HG2 THR 27 2HG2 THR 27 11.785 -5.963 -3.490 298 2HG2 THR 27 3HG2 THR 27 13.307 -5.042 -3.480 299 3HG2 THR 27 1HG2 THR 27 12.800 -5.934 -2.033 300 QG2 THR 27 QG2 THR 27 12.631 -5.646 -3.001 301 H GLN 28 HN GLN 28 11.140 -4.064 0.831 302 HA GLN 28 HA GLN 28 9.122 -2.480 1.813 303 1HB GLN 28 2HB GLN 28 10.922 -3.412 3.198 304 2HB GLN 28 3HB GLN 28 12.111 -2.373 2.405 305 1HG GLN 28 2HG GLN 28 11.623 -1.562 4.627 306 2HG GLN 28 3HG GLN 28 11.099 -0.365 3.439 307 1HE2 GLN 28 2HE2 GLN 28 7.572 -0.891 4.134 308 2HE2 GLN 28 1HE2 GLN 28 8.694 -0.498 2.842 309 QB GLN 28 QB GLN 28 11.517 -2.892 2.802 310 QG GLN 28 QG GLN 28 11.361 -0.963 4.033 311 QE2 GLN 28 QE2 GLN 28 8.133 -0.694 3.488 312 H GLN 29 HN GLN 29 11.843 -1.443 -0.202 313 HA GLN 29 HA GLN 29 11.649 1.308 0.016 314 1HB GLN 29 2HB GLN 29 12.808 1.451 -1.946 315 2HB GLN 29 3HB GLN 29 13.350 -0.064 -1.227 316 1HG GLN 29 2HG GLN 29 13.152 -0.684 -3.406 317 2HG GLN 29 3HG GLN 29 11.515 -1.056 -2.851 318 1HE2 GLN 29 2HE2 GLN 29 12.004 2.306 -5.240 319 2HE2 GLN 29 1HE2 GLN 29 13.128 2.042 -3.921 320 QB GLN 29 QB GLN 29 13.079 0.693 -1.586 321 QG GLN 29 QG GLN 29 12.333 -0.870 -3.128 322 QE2 GLN 29 QE2 GLN 29 12.566 2.174 -4.580 323 H SER 30 HN SER 30 9.760 -0.825 -2.046 324 HA SER 30 HA SER 30 8.415 1.181 -3.615 325 1HB SER 30 2HB SER 30 7.748 -1.675 -2.873 326 2HB SER 30 3HB SER 30 6.561 -0.696 -3.704 327 HG SER 30 HG SER 30 9.199 -0.752 -4.712 328 QB SER 30 QB SER 30 7.155 -1.186 -3.289 329 H ILE 31 HN ILE 31 7.403 -0.507 -0.587 330 HA ILE 31 HA ILE 31 5.083 1.042 -0.171 331 HB ILE 31 HB ILE 31 6.911 -0.701 1.511 332 1HG1 ILE 31 2HG1 ILE 31 5.026 -2.163 1.489 333 2HG1 ILE 31 3HG1 ILE 31 4.002 -0.882 0.777 334 1HG2 ILE 31 1HG2 ILE 31 4.438 0.842 2.379 335 2HG2 ILE 31 2HG2 ILE 31 5.103 -0.561 3.245 336 3HG2 ILE 31 3HG2 ILE 31 6.056 0.937 3.111 337 1HD1 ILE 31 1HD1 ILE 31 6.225 -2.278 -0.701 338 2HD1 ILE 31 2HD1 ILE 31 4.505 -2.723 -0.773 339 3HD1 ILE 31 3HD1 ILE 31 5.005 -1.156 -1.378 340 QG1 ILE 31 QG1 ILE 31 4.515 -1.522 1.132 341 QG2 ILE 31 QG2 ILE 31 5.199 0.406 2.912 342 QD1 ILE 31 QD1 ILE 31 5.245 -2.052 -0.951 343 H GLU 32 HN GLU 32 8.374 1.439 1.252 344 HA GLU 32 HA GLU 32 7.899 3.849 2.603 345 1HB GLU 32 2HB GLU 32 9.892 2.586 2.913 346 2HB GLU 32 3HB GLU 32 10.436 2.862 1.260 347 1HG GLU 32 2HG GLU 32 9.955 5.324 2.915 348 2HG GLU 32 3HG GLU 32 11.285 4.277 3.424 349 QB GLU 32 QB GLU 32 10.164 2.724 2.086 350 QG GLU 32 QG GLU 32 10.620 4.800 3.170 351 H GLN 33 HN GLN 33 9.077 3.625 -0.827 352 HA GLN 33 HA GLN 33 9.098 6.364 -1.317 353 1HB GLN 33 2HB GLN 33 9.902 4.310 -2.772 354 2HB GLN 33 3HB GLN 33 8.272 4.403 -3.466 355 1HG GLN 33 2HG GLN 33 9.008 7.005 -3.640 356 2HG GLN 33 3HG GLN 33 10.621 6.293 -3.624 357 1HE2 GLN 33 2HE2 GLN 33 9.614 4.364 -6.738 358 2HE2 GLN 33 1HE2 GLN 33 9.981 3.872 -5.092 359 QB GLN 33 QB GLN 33 9.087 4.356 -3.119 360 QG GLN 33 QG GLN 33 9.815 6.649 -3.632 361 QE2 GLN 33 QE2 GLN 33 9.797 4.118 -5.916 362 H LEU 34 HN LEU 34 6.368 4.050 -1.671 363 HA LEU 34 HA LEU 34 4.605 6.022 -2.814 364 1HB LEU 34 2HB LEU 34 4.463 3.535 -3.157 365 2HB LEU 34 3HB LEU 34 3.881 3.391 -1.497 366 HG LEU 34 HG LEU 34 1.999 5.003 -2.184 367 1HD1 LEU 34 1HD1 LEU 34 3.135 4.438 -4.929 368 2HD1 LEU 34 2HD1 LEU 34 1.467 4.990 -4.656 369 3HD1 LEU 34 3HD1 LEU 34 2.812 6.025 -4.171 370 1HD2 LEU 34 2HD2 LEU 34 1.725 2.500 -1.990 371 2HD2 LEU 34 3HD2 LEU 34 0.639 3.255 -3.170 372 3HD2 LEU 34 1HD2 LEU 34 2.081 2.390 -3.731 373 QB LEU 34 QB LEU 34 4.172 3.463 -2.328 374 QD1 LEU 34 QD1 LEU 34 2.471 5.151 -4.585 375 QD2 LEU 34 QD2 LEU 34 1.481 2.715 -2.964 376 QQD LEU 34 QQD LEU 34 1.976 3.933 -3.774 377 H GLU 35 HN GLU 35 5.148 4.792 0.491 378 HA GLU 35 HA GLU 35 3.118 6.225 1.864 379 1HB GLU 35 2HB GLU 35 5.881 5.256 2.667 380 2HB GLU 35 3HB GLU 35 4.757 5.977 3.813 381 1HG GLU 35 2HG GLU 35 3.900 3.630 2.058 382 2HG GLU 35 3HG GLU 35 4.825 3.358 3.536 383 QB GLU 35 QB GLU 35 5.319 5.616 3.240 384 QG GLU 35 QG GLU 35 4.362 3.494 2.797 385 H ASN 36 HN ASN 36 6.478 7.149 0.944 386 HA ASN 36 HA ASN 36 6.204 9.863 1.941 387 1HB ASN 36 2HB ASN 36 8.013 8.795 -0.237 388 2HB ASN 36 3HB ASN 36 8.169 10.360 0.581 389 1HD2 ASN 36 2HD2 ASN 36 10.530 7.679 1.779 390 2HD2 ASN 36 1HD2 ASN 36 10.163 8.490 0.340 391 QB ASN 36 QB ASN 36 8.091 9.577 0.172 392 QD2 ASN 36 QD2 ASN 36 10.347 8.084 1.060 393 H GLY 37 HN GLY 37 4.441 8.422 -0.529 394 1HA GLY 37 1HA GLY 37 3.080 9.259 -2.128 395 2HA GLY 37 2HA GLY 37 3.244 10.820 -1.308 396 QA GLY 37 QA GLY 37 3.162 10.040 -1.718 397 H LYS 38 HN LYS 38 5.983 9.062 -2.727 398 HA LYS 38 HA LYS 38 6.567 11.408 -4.421 399 1HB LYS 38 2HB LYS 38 8.048 8.876 -3.723 400 2HB LYS 38 3HB LYS 38 8.692 10.105 -4.825 401 1HG LYS 38 2HG LYS 38 8.525 11.796 -3.013 402 2HG LYS 38 3HG LYS 38 7.914 10.569 -1.903 403 1HD LYS 38 2HD LYS 38 9.987 9.286 -2.053 404 2HD LYS 38 3HD LYS 38 10.583 10.352 -3.346 405 1HE LYS 38 2HE LYS 38 10.483 12.289 -1.694 406 2HE LYS 38 3HE LYS 38 10.131 11.124 -0.416 407 1HZ LYS 38 2HZ LYS 38 12.547 11.099 -2.099 408 2HZ LYS 38 3HZ LYS 38 12.463 11.697 -0.572 409 3HZ LYS 38 1HZ LYS 38 12.243 10.089 -0.834 410 QB LYS 38 QB LYS 38 8.370 9.491 -4.274 411 QG LYS 38 QG LYS 38 8.219 11.183 -2.458 412 QD LYS 38 QD LYS 38 10.285 9.820 -2.699 413 QE LYS 38 QE LYS 38 10.306 11.707 -1.055 414 QZ LYS 38 QZ LYS 38 12.418 10.961 -1.168 415 H THR 39 HN THR 39 5.281 8.169 -4.789 416 HA THR 39 HA THR 39 5.657 8.170 -7.710 417 HB THR 39 HB THR 39 4.239 6.151 -5.956 418 HG1 THR 39 1HG THR 39 6.993 6.590 -6.355 419 1HG2 THR 39 2HG2 THR 39 5.549 5.969 -8.708 420 2HG2 THR 39 3HG2 THR 39 4.968 4.584 -7.761 421 3HG2 THR 39 1HG2 THR 39 3.817 5.817 -8.310 422 QG2 THR 39 QG2 THR 39 4.778 5.457 -8.260 423 H LYS 40 HN LYS 40 4.037 8.672 -9.128 424 HA LYS 40 HA LYS 40 1.418 9.568 -8.105 425 1HB LYS 40 2HB LYS 40 1.046 10.151 -10.528 426 2HB LYS 40 3HB LYS 40 2.166 11.128 -9.601 427 1HG LYS 40 2HG LYS 40 3.111 8.909 -11.493 428 2HG LYS 40 3HG LYS 40 2.732 10.551 -11.997 429 1HD LYS 40 2HD LYS 40 4.399 11.167 -9.946 430 2HD LYS 40 3HD LYS 40 5.095 9.604 -10.415 431 1HE LYS 40 2HE LYS 40 5.331 10.364 -12.742 432 2HE LYS 40 3HE LYS 40 4.581 11.916 -12.333 433 1HZ LYS 40 3HZ LYS 40 7.122 10.926 -11.222 434 2HZ LYS 40 1HZ LYS 40 6.951 12.082 -12.379 435 3HZ LYS 40 2HZ LYS 40 6.405 12.362 -10.854 436 QB LYS 40 QB LYS 40 1.607 10.640 -10.065 437 QG LYS 40 QG LYS 40 2.921 9.730 -11.746 438 QD LYS 40 QD LYS 40 4.747 10.386 -10.181 439 QE LYS 40 QE LYS 40 4.956 11.140 -12.538 440 QZ LYS 40 QZ LYS 40 6.826 11.790 -11.485 441 NH1 ARG 41 NH2 ARG 41 -4.053 7.131 -13.747 442 NH2 ARG 41 NH1 ARG 41 -3.267 6.498 -15.831 443 H ARG 41 HN ARG 41 2.762 6.978 -10.188 444 HA ARG 41 HA ARG 41 0.251 5.495 -9.789 445 1HB ARG 41 2HB ARG 41 0.383 6.841 -12.079 446 2HB ARG 41 3HB ARG 41 1.425 5.523 -12.572 447 1HG ARG 41 2HG ARG 41 -0.396 4.254 -13.002 448 2HG ARG 41 3HG ARG 41 -0.822 4.295 -11.305 449 1HD ARG 41 2HD ARG 41 -2.737 5.172 -12.151 450 2HD ARG 41 3HD ARG 41 -1.854 6.688 -11.908 451 HE ARG 41 HE ARG 41 -1.281 5.668 -14.519 452 1HH1 ARG 41 2HH2 ARG 41 -3.919 7.195 -12.749 453 2HH1 ARG 41 1HH2 ARG 41 -4.886 7.536 -14.148 454 1HH2 ARG 41 2HH1 ARG 41 -2.584 6.035 -16.412 455 2HH2 ARG 41 1HH1 ARG 41 -4.088 6.879 -16.279 456 QB ARG 41 QB ARG 41 0.904 6.183 -12.325 457 QG ARG 41 QG ARG 41 -0.610 4.274 -12.153 458 QD ARG 41 QD ARG 41 -2.295 5.930 -12.030 459 QH1 ARG 41 QH2 ARG 41 -4.403 7.366 -13.449 460 QH2 ARG 41 QH1 ARG 41 -3.336 6.457 -16.346 461 HA PRO 42 HA PRO 42 3.958 2.806 -9.241 462 1HB PRO 42 2HB PRO 42 2.949 1.143 -7.300 463 2HB PRO 42 3HB PRO 42 3.614 2.741 -6.934 464 1HG PRO 42 2HG PRO 42 0.772 1.876 -7.207 465 2HG PRO 42 3HG PRO 42 1.432 3.042 -6.045 466 1HD PRO 42 2HD PRO 42 0.102 3.706 -8.440 467 2HD PRO 42 3HD PRO 42 1.225 4.803 -7.581 468 QB PRO 42 QB PRO 42 3.282 1.942 -7.116 469 QG PRO 42 QG PRO 42 1.102 2.459 -6.626 470 QD PRO 42 QD PRO 42 0.664 4.255 -8.010 471 NH1 ARG 43 NH2 ARG 43 1.243 -0.928 -15.347 472 NH2 ARG 43 NH1 ARG 43 0.222 -3.005 -15.226 473 H ARG 43 HN ARG 43 4.182 0.433 -9.466 474 HA ARG 43 HA ARG 43 2.257 -0.620 -11.439 475 1HB ARG 43 2HB ARG 43 4.843 -0.580 -11.722 476 2HB ARG 43 3HB ARG 43 4.876 -1.852 -10.495 477 1HG ARG 43 2HG ARG 43 4.961 -2.896 -12.652 478 2HG ARG 43 3HG ARG 43 3.381 -3.241 -11.952 479 1HD ARG 43 2HD ARG 43 3.076 -0.802 -13.417 480 2HD ARG 43 3HD ARG 43 4.104 -1.817 -14.422 481 HE ARG 43 HE ARG 43 2.146 -3.566 -13.715 482 1HH1 ARG 43 2HH2 ARG 43 2.008 -0.321 -15.098 483 2HH1 ARG 43 1HH2 ARG 43 0.516 -0.571 -15.948 484 1HH2 ARG 43 2HH1 ARG 43 0.198 -3.954 -14.882 485 2HH2 ARG 43 1HH1 ARG 43 -0.516 -2.705 -15.845 486 QB ARG 43 QB ARG 43 4.859 -1.216 -11.108 487 QG ARG 43 QG ARG 43 4.171 -3.069 -12.302 488 QD ARG 43 QD ARG 43 3.590 -1.310 -13.920 489 QH1 ARG 43 QH2 ARG 43 1.263 -0.446 -15.523 490 QH2 ARG 43 QH1 ARG 43 -0.159 -3.330 -15.363 491 H PHE 44 HN PHE 44 3.292 -1.129 -8.122 492 HA PHE 44 HA PHE 44 1.910 -3.742 -7.945 493 1HB PHE 44 2HB PHE 44 2.807 -3.738 -5.661 494 2HB PHE 44 3HB PHE 44 4.041 -3.654 -6.897 495 HD1 PHE 44 2HD PHE 44 2.331 -1.767 -4.188 496 HD2 PHE 44 1HD PHE 44 5.489 -1.685 -7.131 497 HE1 PHE 44 2HE PHE 44 3.148 0.381 -3.268 498 HE2 PHE 44 1HE PHE 44 6.178 0.554 -6.322 499 HZ PHE 44 HZ PHE 44 5.009 1.593 -4.399 500 QB PHE 44 QB PHE 44 3.424 -3.696 -6.279 501 QR PHE 44 QR PHE 44 4.286 -0.629 -5.228 502 H LEU 45 HN LEU 45 0.598 -0.845 -8.241 503 HA LEU 45 HA LEU 45 -0.935 -0.470 -5.917 504 1HB LEU 45 2HB LEU 45 -0.843 0.938 -8.226 505 2HB LEU 45 3HB LEU 45 -2.207 -0.078 -8.616 506 HG LEU 45 HG LEU 45 -3.098 0.627 -6.254 507 1HD1 LEU 45 2HD1 LEU 45 -1.086 1.912 -5.515 508 2HD1 LEU 45 3HD1 LEU 45 -1.288 2.983 -6.917 509 3HD1 LEU 45 1HD1 LEU 45 -2.485 2.990 -5.653 510 1HD2 LEU 45 3HD2 LEU 45 -3.914 1.277 -8.665 511 2HD2 LEU 45 1HD2 LEU 45 -4.522 2.100 -7.210 512 3HD2 LEU 45 2HD2 LEU 45 -3.283 2.873 -8.220 513 QB LEU 45 QB LEU 45 -1.524 0.429 -8.420 514 QD1 LEU 45 QD1 LEU 45 -1.619 2.629 -6.028 515 QD2 LEU 45 QD2 LEU 45 -3.906 2.084 -8.031 516 QQD LEU 45 QQD LEU 45 -2.763 2.355 -7.030 517 HA PRO 46 HA PRO 46 -4.252 -3.462 -7.570 518 1HB PRO 46 2HB PRO 46 -3.569 -5.452 -9.353 519 2HB PRO 46 3HB PRO 46 -4.310 -3.886 -9.782 520 1HG PRO 46 2HG PRO 46 -1.487 -4.765 -10.120 521 2HG PRO 46 3HG PRO 46 -2.413 -3.556 -11.049 522 1HD PRO 46 2HD PRO 46 -0.540 -3.121 -8.980 523 2HD PRO 46 3HD PRO 46 -1.578 -1.871 -9.715 524 QB PRO 46 QB PRO 46 -3.939 -4.669 -9.567 525 QG PRO 46 QG PRO 46 -1.950 -4.161 -10.585 526 QD PRO 46 QD PRO 46 -1.060 -2.496 -9.347 527 H GLU 47 HN GLU 47 -0.918 -4.828 -7.550 528 HA GLU 47 HA GLU 47 -1.467 -7.199 -6.163 529 1HB GLU 47 2HB GLU 47 1.008 -5.421 -5.964 530 2HB GLU 47 3HB GLU 47 0.904 -7.137 -5.542 531 1HG GLU 47 2HG GLU 47 0.548 -5.981 -8.357 532 2HG GLU 47 3HG GLU 47 1.967 -6.818 -7.720 533 QB GLU 47 QB GLU 47 0.956 -6.279 -5.752 534 QG GLU 47 QG GLU 47 1.257 -6.399 -8.038 535 H LEU 48 HN LEU 48 -0.594 -3.954 -4.853 536 HA LEU 48 HA LEU 48 -0.780 -4.775 -2.120 537 1HB LEU 48 2HB LEU 48 0.509 -2.845 -3.000 538 2HB LEU 48 3HB LEU 48 -0.979 -1.982 -3.357 539 HG LEU 48 HG LEU 48 -0.672 -2.958 -0.531 540 1HD1 LEU 48 1HD1 LEU 48 1.065 -0.700 -1.643 541 2HD1 LEU 48 2HD1 LEU 48 0.808 -1.039 0.079 542 3HD1 LEU 48 3HD1 LEU 48 1.651 -2.217 -0.932 543 1HD2 LEU 48 3HD2 LEU 48 -1.422 -0.275 -1.762 544 2HD2 LEU 48 1HD2 LEU 48 -2.551 -1.548 -1.238 545 3HD2 LEU 48 2HD2 LEU 48 -1.557 -0.703 -0.044 546 QB LEU 48 QB LEU 48 -0.235 -2.413 -3.178 547 QD1 LEU 48 QD1 LEU 48 1.175 -1.319 -0.833 548 QD2 LEU 48 QD2 LEU 48 -1.844 -0.842 -1.015 549 QQD LEU 48 QQD LEU 48 -0.334 -1.080 -0.923 550 H ALA 49 HN ALA 49 -3.110 -3.170 -4.311 551 HA ALA 49 HA ALA 49 -5.249 -2.885 -2.538 552 1HB ALA 49 2HB ALA 49 -5.075 -3.328 -5.521 553 2HB ALA 49 3HB ALA 49 -6.647 -3.276 -4.748 554 3HB ALA 49 1HB ALA 49 -5.594 -1.885 -4.637 555 QB ALA 49 QB ALA 49 -5.772 -2.830 -4.969 556 H SER 50 HN SER 50 -4.435 -5.684 -4.594 557 HA SER 50 HA SER 50 -6.584 -7.349 -3.785 558 1HB SER 50 2HB SER 50 -5.231 -7.628 -5.858 559 2HB SER 50 3HB SER 50 -3.846 -8.144 -4.883 560 HG SER 50 HG SER 50 -6.402 -9.408 -4.965 561 QB SER 50 QB SER 50 -4.539 -7.886 -5.370 562 H ALA 51 HN ALA 51 -3.133 -7.304 -2.683 563 HA ALA 51 HA ALA 51 -3.387 -9.368 -0.784 564 1HB ALA 51 2HB ALA 51 -1.230 -8.482 -1.580 565 2HB ALA 51 3HB ALA 51 -1.525 -6.951 -0.718 566 3HB ALA 51 1HB ALA 51 -1.324 -8.468 0.195 567 QB ALA 51 QB ALA 51 -1.360 -7.967 -0.701 568 H LEU 52 HN LEU 52 -4.078 -5.879 -0.498 569 HA LEU 52 HA LEU 52 -4.860 -6.076 2.301 570 1HB LEU 52 2HB LEU 52 -5.169 -3.974 0.103 571 2HB LEU 52 3HB LEU 52 -5.901 -3.761 1.688 572 HG LEU 52 HG LEU 52 -2.914 -4.124 1.199 573 1HD1 LEU 52 2HD1 LEU 52 -3.847 -1.934 0.485 574 2HD1 LEU 52 3HD1 LEU 52 -4.551 -1.698 2.091 575 3HD1 LEU 52 1HD1 LEU 52 -2.780 -1.774 1.907 576 1HD2 LEU 52 2HD2 LEU 52 -4.685 -4.244 3.578 577 2HD2 LEU 52 3HD2 LEU 52 -3.108 -4.955 3.339 578 3HD2 LEU 52 1HD2 LEU 52 -3.242 -3.233 3.787 579 QB LEU 52 QB LEU 52 -5.535 -3.867 0.895 580 QD1 LEU 52 QD1 LEU 52 -3.726 -1.802 1.494 581 QD2 LEU 52 QD2 LEU 52 -3.678 -4.144 3.568 582 QQD LEU 52 QQD LEU 52 -3.702 -2.973 2.532 583 H GLY 53 HN GLY 53 -6.555 -6.472 -0.751 584 1HA GLY 53 1HA GLY 53 -8.697 -7.188 -1.157 585 2HA GLY 53 2HA GLY 53 -9.015 -7.323 0.581 586 QA GLY 53 QA GLY 53 -8.857 -7.255 -0.288 587 H VAL 54 HN VAL 54 -7.924 -4.582 -1.476 588 HA VAL 54 HA VAL 54 -10.495 -3.159 -1.020 589 HB VAL 54 HB VAL 54 -9.361 -1.017 -0.817 590 1HG1 VAL 54 3HG1 VAL 54 -9.881 -2.263 1.246 591 2HG1 VAL 54 1HG1 VAL 54 -8.225 -2.932 1.246 592 3HG1 VAL 54 2HG1 VAL 54 -8.482 -1.174 1.402 593 1HG2 VAL 54 1HG2 VAL 54 -6.842 -2.659 -1.094 594 2HG2 VAL 54 2HG2 VAL 54 -7.327 -1.201 -1.991 595 3HG2 VAL 54 3HG2 VAL 54 -6.809 -1.090 -0.296 596 QG1 VAL 54 QG1 VAL 54 -8.862 -2.123 1.298 597 QG2 VAL 54 QG2 VAL 54 -6.992 -1.650 -1.127 598 QQG VAL 54 QQG VAL 54 -7.927 -1.887 0.086 599 H SER 55 HN SER 55 -10.746 -1.377 -2.750 600 HA SER 55 HA SER 55 -10.138 -2.544 -5.340 601 1HB SER 55 2HB SER 55 -11.650 -0.485 -5.937 602 2HB SER 55 3HB SER 55 -12.339 -1.834 -5.022 603 HG SER 55 HG SER 55 -11.883 0.739 -4.164 604 QB SER 55 QB SER 55 -11.994 -1.160 -5.479 605 H VAL 56 HN VAL 56 -8.841 -1.636 -6.907 606 HA VAL 56 HA VAL 56 -6.696 0.128 -6.359 607 HB VAL 56 HB VAL 56 -8.130 -0.862 -8.823 608 1HG1 VAL 56 3HG1 VAL 56 -6.100 1.362 -8.746 609 2HG1 VAL 56 1HG1 VAL 56 -6.210 0.247 -10.131 610 3HG1 VAL 56 2HG1 VAL 56 -7.608 1.249 -9.669 611 1HG2 VAL 56 1HG2 VAL 56 -6.196 -1.969 -7.252 612 2HG2 VAL 56 2HG2 VAL 56 -6.344 -2.284 -8.986 613 3HG2 VAL 56 3HG2 VAL 56 -5.174 -1.087 -8.395 614 QG1 VAL 56 QG1 VAL 56 -6.640 0.952 -9.515 615 QG2 VAL 56 QG2 VAL 56 -5.905 -1.780 -8.210 616 QQG VAL 56 QQG VAL 56 -6.272 -0.414 -8.863 617 H ASP 57 HN ASP 57 -9.993 0.888 -7.581 618 HA ASP 57 HA ASP 57 -9.863 3.662 -7.797 619 1HB ASP 57 2HB ASP 57 -11.944 2.537 -8.234 620 2HB ASP 57 3HB ASP 57 -12.011 1.873 -6.584 621 QB ASP 57 QB ASP 57 -11.978 2.206 -7.409 622 CH2 TRP 58 CH2 TRP 58 -7.366 2.142 2.523 623 H TRP 58 HN TRP 58 -10.108 1.722 -4.767 624 HA TRP 58 HA TRP 58 -10.304 4.075 -3.086 625 1HB TRP 58 2HB TRP 58 -11.165 1.861 -2.393 626 2HB TRP 58 3HB TRP 58 -9.517 1.234 -2.321 627 HD1 TRP 58 HD1 TRP 58 -11.731 3.882 -0.699 628 HE1 TRP 58 HE1 TRP 58 -10.956 4.390 1.652 629 HE3 TRP 58 HE3 TRP 58 -7.405 1.196 -0.757 630 HZ2 TRP 58 HZ2 TRP 58 -8.851 3.403 3.465 631 HZ3 TRP 58 HZ3 TRP 58 -5.931 1.169 1.250 632 HH2 TRP 58 HH2 TRP 58 -6.732 2.086 3.397 633 QB TRP 58 QB TRP 58 -10.341 1.548 -2.357 634 H LEU 59 HN LEU 59 -7.679 1.877 -4.172 635 HA LEU 59 HA LEU 59 -5.684 3.288 -2.653 636 1HB LEU 59 2HB LEU 59 -5.661 1.327 -4.922 637 2HB LEU 59 3HB LEU 59 -4.213 2.236 -4.652 638 HG LEU 59 HG LEU 59 -5.550 0.310 -2.742 639 1HD1 LEU 59 1HD1 LEU 59 -4.053 -0.427 -4.650 640 2HD1 LEU 59 2HD1 LEU 59 -2.711 0.417 -3.857 641 3HD1 LEU 59 3HD1 LEU 59 -3.531 -0.941 -3.055 642 1HD2 LEU 59 2HD2 LEU 59 -3.304 2.291 -2.162 643 2HD2 LEU 59 3HD2 LEU 59 -4.778 1.959 -1.197 644 3HD2 LEU 59 1HD2 LEU 59 -3.496 0.771 -1.264 645 QB LEU 59 QB LEU 59 -4.937 1.782 -4.787 646 QD1 LEU 59 QD1 LEU 59 -3.432 -0.317 -3.853 647 QD2 LEU 59 QD2 LEU 59 -3.859 1.674 -1.541 648 QQD LEU 59 QQD LEU 59 -3.645 0.678 -2.697 649 H LEU 60 HN LEU 60 -7.231 4.216 -5.657 650 HA LEU 60 HA LEU 60 -5.200 6.340 -6.090 651 1HB LEU 60 2HB LEU 60 -7.719 5.589 -7.591 652 2HB LEU 60 3HB LEU 60 -6.666 6.939 -8.022 653 HG LEU 60 HG LEU 60 -5.755 4.031 -7.893 654 1HD1 LEU 60 1HD1 LEU 60 -7.402 4.400 -9.681 655 2HD1 LEU 60 2HD1 LEU 60 -6.442 5.766 -10.296 656 3HD1 LEU 60 3HD1 LEU 60 -5.784 4.114 -10.346 657 1HD2 LEU 60 3HD2 LEU 60 -4.374 6.589 -8.826 658 2HD2 LEU 60 1HD2 LEU 60 -3.822 5.453 -7.572 659 3HD2 LEU 60 2HD2 LEU 60 -3.816 4.964 -9.267 660 QB LEU 60 QB LEU 60 -7.192 6.264 -7.807 661 QD1 LEU 60 QD1 LEU 60 -6.542 4.760 -10.108 662 QD2 LEU 60 QD2 LEU 60 -4.004 5.668 -8.555 663 QQD LEU 60 QQD LEU 60 -5.274 5.214 -9.331 664 H ASN 61 HN ASN 61 -8.720 6.249 -5.342 665 HA ASN 61 HA ASN 61 -8.724 9.109 -4.669 666 1HB ASN 61 2HB ASN 61 -10.826 6.950 -4.871 667 2HB ASN 61 3HB ASN 61 -11.116 8.306 -3.778 668 1HD2 ASN 61 2HD2 ASN 61 -11.046 9.069 -7.800 669 2HD2 ASN 61 1HD2 ASN 61 -10.395 7.551 -7.200 670 QB ASN 61 QB ASN 61 -10.971 7.627 -4.325 671 QD2 ASN 61 QD2 ASN 61 -10.720 8.310 -7.500 672 H GLY 62 HN GLY 62 -9.274 6.063 -2.791 673 1HA GLY 62 1HA GLY 62 -8.437 5.771 -0.606 674 2HA GLY 62 2HA GLY 62 -8.394 7.523 -0.351 675 QA GLY 62 QA GLY 62 -8.415 6.647 -0.479 676 H THR 63 HN THR 63 -11.323 6.845 -1.765 677 HA THR 63 HA THR 63 -12.730 5.950 0.660 678 HB THR 63 HB THR 63 -14.292 7.864 0.373 679 HG1 THR 63 1HG THR 63 -13.338 8.459 -1.719 680 1HG2 THR 63 2HG2 THR 63 -12.693 7.864 2.258 681 2HG2 THR 63 3HG2 THR 63 -11.521 8.763 1.257 682 3HG2 THR 63 1HG2 THR 63 -13.074 9.505 1.679 683 QG2 THR 63 QG2 THR 63 -12.429 8.710 1.731 684 H SER 64 HN SER 64 -14.046 4.420 -0.148 685 HA SER 64 HA SER 64 -15.033 4.559 -2.960 686 1HB SER 64 2HB SER 64 -13.567 2.631 -2.681 687 2HB SER 64 3HB SER 64 -14.364 2.194 -1.148 688 HG SER 64 HG SER 64 -15.571 2.209 -3.720 689 QB SER 64 QB SER 64 -13.966 2.412 -1.915 690 H ASP 65 HN ASP 65 -17.299 4.455 -3.089 691 HA ASP 65 HA ASP 65 -18.850 3.888 -0.639 692 1HB ASP 65 2HB ASP 65 -18.639 6.398 -0.968 693 2HB ASP 65 3HB ASP 65 -19.465 6.202 -2.530 694 QB ASP 65 QB ASP 65 -19.052 6.300 -1.748 695 H SER 66 HN SER 66 -20.709 2.744 -1.138 696 HA SER 66 HA SER 66 -21.853 2.710 -3.691 697 1HB SER 66 2HB SER 66 -19.920 1.103 -4.169 698 2HB SER 66 3HB SER 66 -20.661 0.002 -2.982 699 HG SER 66 HG SER 66 -21.519 -0.505 -4.979 700 QB SER 66 QB SER 66 -20.291 0.552 -3.576 701 H ASN 67 HN ASN 67 -23.902 2.545 -3.207 702 HA ASN 67 HA ASN 67 -24.862 0.925 -0.875 703 1HB ASN 67 2HB ASN 67 -26.941 2.320 -1.126 704 2HB ASN 67 3HB ASN 67 -25.500 3.170 -0.559 705 1HD2 ASN 67 2HD2 ASN 67 -25.236 5.320 -3.376 706 2HD2 ASN 67 1HD2 ASN 67 -24.389 4.680 -1.985 707 QB ASN 67 QB ASN 67 -26.220 2.745 -0.842 708 QD2 ASN 67 QD2 ASN 67 -24.813 5.000 -2.680 709 H VAL 68 HN VAL 68 -24.819 1.137 -4.357 710 HA VAL 68 HA VAL 68 -27.212 -0.487 -4.754 711 HB VAL 68 HB VAL 68 -26.416 -0.483 -7.140 712 1HG1 VAL 68 1HG1 VAL 68 -28.103 1.083 -6.293 713 2HG1 VAL 68 2HG1 VAL 68 -26.827 2.226 -5.822 714 3HG1 VAL 68 3HG1 VAL 68 -27.084 1.829 -7.534 715 1HG2 VAL 68 3HG2 VAL 68 -23.946 0.011 -6.603 716 2HG2 VAL 68 1HG2 VAL 68 -24.690 0.991 -7.874 717 3HG2 VAL 68 2HG2 VAL 68 -24.447 1.678 -6.263 718 QG1 VAL 68 QG1 VAL 68 -27.338 1.712 -6.549 719 QG2 VAL 68 QG2 VAL 68 -24.362 0.893 -6.914 720 QQG VAL 68 QQG VAL 68 -25.849 1.303 -6.732 721 NH1 ARG 69 NH2 ARG 69 -25.429 -5.155 -8.762 722 NH2 ARG 69 NH1 ARG 69 -24.497 -7.266 -8.951 723 H ARG 69 HN ARG 69 -26.224 -2.019 -3.104 724 HA ARG 69 HA ARG 69 -25.382 -4.024 -2.538 725 1HB ARG 69 2HB ARG 69 -25.749 -5.923 -4.076 726 2HB ARG 69 3HB ARG 69 -27.180 -4.920 -3.819 727 1HG ARG 69 2HG ARG 69 -26.974 -3.898 -5.972 728 2HG ARG 69 3HG ARG 69 -25.345 -4.583 -6.196 729 1HD ARG 69 2HD ARG 69 -27.482 -6.600 -5.764 730 2HD ARG 69 3HD ARG 69 -27.716 -5.637 -7.216 731 HE ARG 69 HE ARG 69 -25.794 -7.718 -6.827 732 1HH1 ARG 69 2HH2 ARG 69 -25.959 -4.498 -8.205 733 2HH1 ARG 69 1HH2 ARG 69 -24.926 -4.812 -9.566 734 1HH2 ARG 69 2HH1 ARG 69 -24.383 -8.211 -8.614 735 2HH2 ARG 69 1HH1 ARG 69 -23.981 -6.984 -9.772 736 QB ARG 69 QB ARG 69 -26.464 -5.422 -3.948 737 QG ARG 69 QG ARG 69 -26.160 -4.240 -6.084 738 QD ARG 69 QD ARG 69 -27.599 -6.119 -6.491 739 QH1 ARG 69 QH2 ARG 69 -25.443 -4.655 -8.885 740 QH2 ARG 69 QH1 ARG 69 -24.182 -7.597 -9.193 Start of MODEL 13 Raw file had 740 H/Q atoms Start of MODEL 13 1 H SER 1 HN SER 1 -5.329 10.516 4.129 2 HA SER 1 HA SER 1 -3.850 11.266 1.716 3 1HB SER 1 2HB SER 1 -2.962 10.911 4.632 4 2HB SER 1 3HB SER 1 -1.909 11.423 3.293 5 HG SER 1 HG SER 1 -2.814 13.267 4.253 6 QB SER 1 QB SER 1 -2.436 11.167 3.963 7 H ILE 2 HN ILE 2 -1.984 10.006 0.985 8 HA ILE 2 HA ILE 2 -2.796 7.389 0.401 9 HB ILE 2 HB ILE 2 -0.070 8.610 0.088 10 1HG1 ILE 2 2HG1 ILE 2 -1.828 9.945 -1.044 11 2HG1 ILE 2 3HG1 ILE 2 -0.770 9.117 -2.188 12 1HG2 ILE 2 2HG2 ILE 2 -0.026 6.159 -0.069 13 2HG2 ILE 2 3HG2 ILE 2 -1.329 6.167 -1.247 14 3HG2 ILE 2 1HG2 ILE 2 0.232 6.903 -1.658 15 1HD1 ILE 2 3HD1 ILE 2 -2.569 7.423 -2.568 16 2HD1 ILE 2 1HD1 ILE 2 -3.613 8.387 -1.472 17 3HD1 ILE 2 2HD1 ILE 2 -3.020 9.074 -2.983 18 QG1 ILE 2 QG1 ILE 2 -1.299 9.531 -1.616 19 QG2 ILE 2 QG2 ILE 2 -0.374 6.410 -0.991 20 QD1 ILE 2 QD1 ILE 2 -3.068 8.294 -2.341 21 H SER 3 HN SER 3 -0.034 8.439 2.480 22 HA SER 3 HA SER 3 0.680 6.085 3.742 23 1HB SER 3 2HB SER 3 1.081 7.717 5.725 24 2HB SER 3 3HB SER 3 1.946 8.068 4.245 25 HG SER 3 HG SER 3 0.284 9.670 5.464 26 QB SER 3 QB SER 3 1.513 7.892 4.984 27 H SER 4 HN SER 4 -2.074 8.229 4.446 28 HA SER 4 HA SER 4 -2.884 6.948 6.844 29 1HB SER 4 2HB SER 4 -4.004 8.950 5.110 30 2HB SER 4 3HB SER 4 -5.273 7.774 5.488 31 HG SER 4 HG SER 4 -4.914 8.247 7.654 32 QB SER 4 QB SER 4 -4.639 8.363 5.299 33 NH1 ARG 5 NH2 ARG 5 -4.003 5.276 -1.205 34 NH2 ARG 5 NH1 ARG 5 -5.378 6.564 -2.517 35 H ARG 5 HN ARG 5 -3.816 6.163 3.399 36 HA ARG 5 HA ARG 5 -5.539 4.019 4.241 37 1HB ARG 5 2HB ARG 5 -3.964 4.139 1.650 38 2HB ARG 5 3HB ARG 5 -5.130 3.036 1.972 39 1HG ARG 5 2HG ARG 5 -6.477 4.499 0.850 40 2HG ARG 5 3HG ARG 5 -6.677 5.221 2.455 41 1HD ARG 5 2HD ARG 5 -5.702 7.094 1.801 42 2HD ARG 5 3HD ARG 5 -4.272 6.257 1.291 43 HE ARG 5 HE ARG 5 -6.519 7.127 -0.418 44 1HH1 ARG 5 2HH2 ARG 5 -3.705 4.940 -0.302 45 2HH1 ARG 5 1HH2 ARG 5 -3.588 4.908 -2.058 46 1HH2 ARG 5 2HH1 ARG 5 -6.228 7.079 -2.680 47 2HH2 ARG 5 1HH1 ARG 5 -4.859 6.255 -3.341 48 QB ARG 5 QB ARG 5 -4.547 3.587 1.811 49 QG ARG 5 QG ARG 5 -6.578 4.860 1.653 50 QD ARG 5 QD ARG 5 -4.987 6.675 1.546 51 QH1 ARG 5 QH2 ARG 5 -3.647 4.924 -1.180 52 QH2 ARG 5 QH1 ARG 5 -5.543 6.667 -3.011 53 H VAL 6 HN VAL 6 -2.127 4.023 3.100 54 HA VAL 6 HA VAL 6 -1.777 1.228 3.263 55 HB VAL 6 HB VAL 6 0.302 3.428 3.607 56 1HG1 VAL 6 3HG1 VAL 6 0.593 0.451 2.992 57 2HG1 VAL 6 1HG1 VAL 6 1.900 1.633 2.817 58 3HG1 VAL 6 2HG1 VAL 6 1.229 1.302 4.418 59 1HG2 VAL 6 2HG2 VAL 6 -0.897 3.541 1.423 60 2HG2 VAL 6 3HG2 VAL 6 0.786 3.042 1.237 61 3HG2 VAL 6 1HG2 VAL 6 -0.507 1.830 1.136 62 QG1 VAL 6 QG1 VAL 6 1.241 1.128 3.409 63 QG2 VAL 6 QG2 VAL 6 -0.206 2.805 1.265 64 QQG VAL 6 QQG VAL 6 0.517 1.967 2.337 65 H LYS 7 HN LYS 7 -0.944 3.746 5.655 66 HA LYS 7 HA LYS 7 -0.033 1.962 7.633 67 1HB LYS 7 2HB LYS 7 0.482 4.402 7.356 68 2HB LYS 7 3HB LYS 7 -1.085 4.776 8.110 69 1HG LYS 7 2HG LYS 7 -0.370 3.573 10.149 70 2HG LYS 7 3HG LYS 7 1.107 3.042 9.335 71 1HD LYS 7 2HD LYS 7 1.109 5.877 9.021 72 2HD LYS 7 3HD LYS 7 0.482 5.607 10.643 73 1HE LYS 7 2HE LYS 7 2.814 5.752 10.956 74 2HE LYS 7 3HE LYS 7 2.499 4.021 10.994 75 1HZ LYS 7 1HZ LYS 7 3.199 4.051 8.534 76 2HZ LYS 7 2HZ LYS 7 3.580 5.561 8.661 77 3HZ LYS 7 3HZ LYS 7 4.388 4.483 9.594 78 QB LYS 7 QB LYS 7 -0.301 4.589 7.733 79 QG LYS 7 QG LYS 7 0.368 3.307 9.742 80 QD LYS 7 QD LYS 7 0.795 5.742 9.832 81 QE LYS 7 QE LYS 7 2.656 4.887 10.975 82 QZ LYS 7 QZ LYS 7 3.722 4.699 8.930 83 H SER 8 HN SER 8 -3.226 3.727 7.385 84 HA SER 8 HA SER 8 -4.447 2.700 9.690 85 1HB SER 8 2HB SER 8 -5.466 4.475 8.285 86 2HB SER 8 3HB SER 8 -5.748 3.285 6.993 87 HG SER 8 HG SER 8 -6.975 3.437 9.525 88 QB SER 8 QB SER 8 -5.608 3.880 7.639 89 H LYS 9 HN LYS 9 -4.550 1.332 6.336 90 HA LYS 9 HA LYS 9 -6.067 -0.927 7.125 91 1HB LYS 9 2HB LYS 9 -5.615 -0.002 4.734 92 2HB LYS 9 3HB LYS 9 -4.101 -0.919 4.844 93 1HG LYS 9 2HG LYS 9 -5.520 -2.498 3.893 94 2HG LYS 9 3HG LYS 9 -5.721 -2.908 5.589 95 1HD LYS 9 2HD LYS 9 -7.778 -1.319 5.493 96 2HD LYS 9 3HD LYS 9 -7.523 -1.285 3.747 97 1HE LYS 9 2HE LYS 9 -7.605 -3.840 3.751 98 2HE LYS 9 3HE LYS 9 -8.005 -3.783 5.467 99 1HZ LYS 9 2HZ LYS 9 -9.863 -2.206 4.302 100 2HZ LYS 9 3HZ LYS 9 -9.646 -3.430 3.185 101 3HZ LYS 9 1HZ LYS 9 -10.060 -3.779 4.733 102 QB LYS 9 QB LYS 9 -4.858 -0.460 4.790 103 QG LYS 9 QG LYS 9 -5.621 -2.702 4.741 104 QD LYS 9 QD LYS 9 -7.650 -1.301 4.619 105 QE LYS 9 QE LYS 9 -7.805 -3.811 4.609 106 QZ LYS 9 QZ LYS 9 -9.857 -3.139 4.073 107 NH1 ARG 10 NH2 ARG 10 3.090 -0.925 10.303 108 NH2 ARG 10 NH1 ARG 10 4.048 0.991 9.407 109 H ARG 10 HN ARG 10 -2.529 -0.352 6.819 110 HA ARG 10 HA ARG 10 -1.650 -2.931 7.523 111 1HB ARG 10 2HB ARG 10 -0.210 -1.272 6.553 112 2HB ARG 10 3HB ARG 10 -0.345 -0.226 7.984 113 1HG ARG 10 2HG ARG 10 0.792 -1.719 9.361 114 2HG ARG 10 3HG ARG 10 0.641 -3.038 8.190 115 1HD ARG 10 2HD ARG 10 2.804 -2.458 7.901 116 2HD ARG 10 3HD ARG 10 2.049 -1.656 6.551 117 HE ARG 10 HE ARG 10 3.063 0.240 7.289 118 1HH1 ARG 10 2HH2 ARG 10 2.602 -1.817 10.178 119 2HH1 ARG 10 1HH2 ARG 10 3.431 -0.719 11.230 120 1HH2 ARG 10 2HH1 ARG 10 4.242 1.571 8.596 121 2HH2 ARG 10 1HH1 ARG 10 4.516 1.183 10.280 122 QB ARG 10 QB ARG 10 -0.278 -0.749 7.269 123 QG ARG 10 QG ARG 10 0.716 -2.379 8.776 124 QD ARG 10 QD ARG 10 2.427 -2.057 7.225 125 QH1 ARG 10 QH2 ARG 10 3.016 -1.268 10.703 126 QH2 ARG 10 QH1 ARG 10 4.379 1.378 9.438 127 H ILE 11 HN ILE 11 -2.819 -0.267 9.609 128 HA ILE 11 HA ILE 11 -2.093 -1.534 12.095 129 HB ILE 11 HB ILE 11 -4.266 0.524 11.609 130 1HG1 ILE 11 2HG1 ILE 11 -2.428 1.798 11.104 131 2HG1 ILE 11 3HG1 ILE 11 -2.475 1.935 12.829 132 1HG2 ILE 11 2HG2 ILE 11 -2.990 -0.563 14.136 133 2HG2 ILE 11 3HG2 ILE 11 -3.966 0.918 14.072 134 3HG2 ILE 11 1HG2 ILE 11 -4.701 -0.624 13.661 135 1HD1 ILE 11 3HD1 ILE 11 -0.696 0.189 13.039 136 2HD1 ILE 11 1HD1 ILE 11 -0.569 0.165 11.259 137 3HD1 ILE 11 2HD1 ILE 11 -0.190 1.639 12.152 138 QG1 ILE 11 QG1 ILE 11 -2.451 1.867 11.967 139 QG2 ILE 11 QG2 ILE 11 -3.885 -0.089 13.957 140 QD1 ILE 11 QD1 ILE 11 -0.484 0.664 12.150 141 H GLN 12 HN GLN 12 -5.216 -1.329 10.277 142 HA GLN 12 HA GLN 12 -6.544 -3.094 12.039 143 1HB GLN 12 2HB GLN 12 -8.351 -3.128 10.699 144 2HB GLN 12 3HB GLN 12 -7.580 -1.631 10.178 145 1HG GLN 12 2HG GLN 12 -6.732 -2.797 8.167 146 2HG GLN 12 3HG GLN 12 -7.424 -4.323 8.727 147 1HE2 GLN 12 2HE2 GLN 12 -10.709 -3.574 7.655 148 2HE2 GLN 12 1HE2 GLN 12 -9.664 -4.702 8.493 149 QB GLN 12 QB GLN 12 -7.965 -2.380 10.439 150 QG GLN 12 QG GLN 12 -7.078 -3.559 8.447 151 QE2 GLN 12 QE2 GLN 12 -10.186 -4.138 8.074 152 H LEU 13 HN LEU 13 -4.548 -3.885 9.236 153 HA LEU 13 HA LEU 13 -4.844 -6.781 9.408 154 1HB LEU 13 2HB LEU 13 -3.109 -4.791 7.986 155 2HB LEU 13 3HB LEU 13 -2.401 -6.353 8.227 156 HG LEU 13 HG LEU 13 -3.656 -5.794 6.043 157 1HD1 LEU 13 3HD1 LEU 13 -2.886 -8.176 7.113 158 2HD1 LEU 13 1HD1 LEU 13 -4.620 -8.465 6.956 159 3HD1 LEU 13 2HD1 LEU 13 -3.676 -7.995 5.538 160 1HD2 LEU 13 3HD2 LEU 13 -5.792 -5.063 7.108 161 2HD2 LEU 13 1HD2 LEU 13 -5.987 -6.347 5.897 162 3HD2 LEU 13 2HD2 LEU 13 -6.089 -6.744 7.612 163 QB LEU 13 QB LEU 13 -2.754 -5.572 8.107 164 QD1 LEU 13 QD1 LEU 13 -3.727 -8.212 6.536 165 QD2 LEU 13 QD2 LEU 13 -5.956 -6.052 6.873 166 QQD LEU 13 QQD LEU 13 -4.841 -7.131 6.704 167 H GLY 14 HN GLY 14 -2.687 -4.389 10.918 168 1HA GLY 14 1HA GLY 14 -1.428 -4.561 12.808 169 2HA GLY 14 2HA GLY 14 -1.966 -6.235 13.033 170 QA GLY 14 QA GLY 14 -1.697 -5.399 12.921 171 H LEU 15 HN LEU 15 -0.248 -4.582 10.325 172 HA LEU 15 HA LEU 15 2.007 -6.572 10.618 173 1HB LEU 15 2HB LEU 15 0.633 -5.676 8.062 174 2HB LEU 15 3HB LEU 15 2.100 -6.652 8.139 175 HG LEU 15 HG LEU 15 -0.648 -7.507 9.154 176 1HD1 LEU 15 2HD1 LEU 15 -0.361 -7.436 6.717 177 2HD1 LEU 15 3HD1 LEU 15 1.068 -8.493 6.844 178 3HD1 LEU 15 1HD1 LEU 15 -0.533 -9.100 7.312 179 1HD2 LEU 15 3HD2 LEU 15 2.105 -8.770 9.404 180 2HD2 LEU 15 1HD2 LEU 15 0.785 -8.709 10.592 181 3HD2 LEU 15 2HD2 LEU 15 0.676 -9.798 9.212 182 QB LEU 15 QB LEU 15 1.366 -6.165 8.100 183 QD1 LEU 15 QD1 LEU 15 0.058 -8.343 6.957 184 QD2 LEU 15 QD2 LEU 15 1.189 -9.092 9.736 185 QQD LEU 15 QQD LEU 15 0.623 -8.718 8.347 186 H ASN 16 HN ASN 16 3.824 -5.844 9.009 187 HA ASN 16 HA ASN 16 4.416 -2.957 9.507 188 1HB ASN 16 2HB ASN 16 6.719 -3.406 9.643 189 2HB ASN 16 3HB ASN 16 5.908 -4.461 10.805 190 1HD2 ASN 16 2HD2 ASN 16 6.557 -7.480 8.978 191 2HD2 ASN 16 1HD2 ASN 16 5.566 -6.637 10.166 192 QB ASN 16 QB ASN 16 6.313 -3.934 10.224 193 QD2 ASN 16 QD2 ASN 16 6.062 -7.058 9.572 194 H GLN 17 HN GLN 17 6.037 -2.186 7.939 195 HA GLN 17 HA GLN 17 4.777 -2.171 5.355 196 1HB GLN 17 2HB GLN 17 7.157 -0.866 6.606 197 2HB GLN 17 3HB GLN 17 7.144 -1.052 4.833 198 1HG GLN 17 2HG GLN 17 4.827 0.159 5.012 199 2HG GLN 17 3HG GLN 17 5.358 0.551 6.643 200 1HE2 GLN 17 2HE2 GLN 17 7.017 3.388 5.335 201 2HE2 GLN 17 1HE2 GLN 17 5.618 2.782 6.236 202 QB GLN 17 QB GLN 17 7.151 -0.959 5.719 203 QG GLN 17 QG GLN 17 5.092 0.355 5.827 204 QE2 GLN 17 QE2 GLN 17 6.317 3.085 5.785 205 H ALA 18 HN ALA 18 7.623 -3.939 6.659 206 HA ALA 18 HA ALA 18 8.599 -4.752 4.083 207 1HB ALA 18 3HB ALA 18 9.853 -4.560 6.357 208 2HB ALA 18 1HB ALA 18 9.218 -6.191 6.670 209 3HB ALA 18 2HB ALA 18 10.244 -5.903 5.260 210 QB ALA 18 QB ALA 18 9.772 -5.551 6.096 211 H GLU 19 HN GLU 19 6.603 -6.242 6.611 212 HA GLU 19 HA GLU 19 5.835 -8.659 5.329 213 1HB GLU 19 2HB GLU 19 4.712 -6.849 7.398 214 2HB GLU 19 3HB GLU 19 3.482 -7.696 6.485 215 1HG GLU 19 2HG GLU 19 5.861 -9.155 7.705 216 2HG GLU 19 3HG GLU 19 4.341 -8.890 8.573 217 QB GLU 19 QB GLU 19 4.098 -7.272 6.942 218 QG GLU 19 QG GLU 19 5.102 -9.023 8.139 219 H LEU 20 HN LEU 20 4.256 -5.439 5.109 220 HA LEU 20 HA LEU 20 2.457 -6.167 3.093 221 1HB LEU 20 2HB LEU 20 2.797 -3.979 4.560 222 2HB LEU 20 3HB LEU 20 3.525 -3.360 3.079 223 HG LEU 20 HG LEU 20 0.740 -4.641 3.293 224 1HD1 LEU 20 1HD1 LEU 20 1.565 -1.726 3.406 225 2HD1 LEU 20 2HD1 LEU 20 -0.099 -2.291 3.155 226 3HD1 LEU 20 3HD1 LEU 20 0.738 -2.674 4.666 227 1HD2 LEU 20 2HD2 LEU 20 2.151 -3.095 1.084 228 2HD2 LEU 20 3HD2 LEU 20 1.465 -4.741 1.031 229 3HD2 LEU 20 1HD2 LEU 20 0.395 -3.348 1.136 230 QB LEU 20 QB LEU 20 3.161 -3.670 3.819 231 QD1 LEU 20 QD1 LEU 20 0.735 -2.230 3.743 232 QD2 LEU 20 QD2 LEU 20 1.338 -3.728 1.084 233 QQD LEU 20 QQD LEU 20 1.035 -2.979 2.413 234 H ALA 21 HN ALA 21 5.830 -5.016 2.743 235 HA ALA 21 HA ALA 21 5.930 -4.963 -0.081 236 1HB ALA 21 3HB ALA 21 7.693 -4.167 1.708 237 2HB ALA 21 1HB ALA 21 8.336 -5.809 1.527 238 3HB ALA 21 2HB ALA 21 8.211 -4.754 0.116 239 QB ALA 21 QB ALA 21 8.080 -4.910 1.117 240 H GLN 22 HN GLN 22 6.531 -7.676 2.209 241 HA GLN 22 HA GLN 22 7.409 -9.537 0.268 242 1HB GLN 22 2HB GLN 22 7.972 -10.220 2.339 243 2HB GLN 22 3HB GLN 22 6.530 -9.583 3.126 244 1HG GLN 22 2HG GLN 22 5.220 -11.412 2.613 245 2HG GLN 22 3HG GLN 22 6.293 -11.962 1.301 246 1HE2 GLN 22 2HE2 GLN 22 8.098 -14.109 3.398 247 2HE2 GLN 22 1HE2 GLN 22 7.628 -13.657 1.767 248 QB GLN 22 QB GLN 22 7.252 -9.902 2.732 249 QG GLN 22 QG GLN 22 5.757 -11.687 1.957 250 QE2 GLN 22 QE2 GLN 22 7.863 -13.883 2.582 251 H LYS 23 HN LYS 23 4.128 -9.166 1.758 252 HA LYS 23 HA LYS 23 2.985 -11.121 -0.008 253 1HB LYS 23 2HB LYS 23 0.779 -9.857 0.502 254 2HB LYS 23 3HB LYS 23 1.573 -10.827 1.743 255 1HG LYS 23 2HG LYS 23 2.259 -9.048 3.002 256 2HG LYS 23 3HG LYS 23 2.345 -7.961 1.604 257 1HD LYS 23 2HD LYS 23 0.415 -7.071 2.037 258 2HD LYS 23 3HD LYS 23 -0.400 -8.648 1.902 259 1HE LYS 23 2HE LYS 23 -0.137 -9.080 4.232 260 2HE LYS 23 3HE LYS 23 0.942 -7.693 4.464 261 1HZ LYS 23 1HZ LYS 23 -1.747 -7.279 3.374 262 2HZ LYS 23 2HZ LYS 23 -1.548 -7.461 5.004 263 3HZ LYS 23 3HZ LYS 23 -0.788 -6.231 4.212 264 QB LYS 23 QB LYS 23 1.176 -10.342 1.123 265 QG LYS 23 QG LYS 23 2.302 -8.504 2.303 266 QD LYS 23 QD LYS 23 0.007 -7.859 1.969 267 QE LYS 23 QE LYS 23 0.403 -8.386 4.349 268 QZ LYS 23 QZ LYS 23 -1.361 -6.991 4.197 269 H VAL 24 HN VAL 24 3.520 -7.628 -0.529 270 HA VAL 24 HA VAL 24 2.090 -7.588 -3.063 271 HB VAL 24 HB VAL 24 4.159 -5.793 -1.770 272 1HG1 VAL 24 1HG1 VAL 24 2.551 -5.347 -4.321 273 2HG1 VAL 24 2HG1 VAL 24 3.391 -4.056 -3.439 274 3HG1 VAL 24 3HG1 VAL 24 4.320 -5.358 -4.194 275 1HG2 VAL 24 2HG2 VAL 24 1.736 -6.052 -0.832 276 2HG2 VAL 24 3HG2 VAL 24 2.383 -4.435 -1.159 277 3HG2 VAL 24 1HG2 VAL 24 1.250 -5.204 -2.303 278 QG1 VAL 24 QG1 VAL 24 3.420 -4.920 -3.985 279 QG2 VAL 24 QG2 VAL 24 1.789 -5.230 -1.432 280 QQG VAL 24 QQG VAL 24 2.605 -5.075 -2.708 281 H GLY 25 HN GLY 25 5.240 -8.810 -2.090 282 1HA GLY 25 1HA GLY 25 6.908 -9.775 -3.309 283 2HA GLY 25 2HA GLY 25 5.878 -9.722 -4.752 284 QA GLY 25 QA GLY 25 6.393 -9.748 -4.032 285 H THR 26 HN THR 26 7.154 -7.175 -2.567 286 HA THR 26 HA THR 26 8.849 -6.074 -4.739 287 HB THR 26 HB THR 26 6.648 -4.960 -4.887 288 HG1 THR 26 1HG THR 26 7.440 -2.973 -5.066 289 1HG2 THR 26 1HG2 THR 26 6.085 -5.021 -2.445 290 2HG2 THR 26 2HG2 THR 26 7.255 -3.734 -2.156 291 3HG2 THR 26 3HG2 THR 26 5.851 -3.434 -3.194 292 QG2 THR 26 QG2 THR 26 6.397 -4.063 -2.598 293 H THR 27 HN THR 27 9.399 -3.734 -3.199 294 HA THR 27 HA THR 27 11.060 -4.937 -0.983 295 HB THR 27 HB THR 27 12.740 -3.187 -1.561 296 HG1 THR 27 1HG THR 27 11.201 -2.874 -3.922 297 1HG2 THR 27 2HG2 THR 27 12.999 -5.495 -2.395 298 2HG2 THR 27 3HG2 THR 27 12.058 -5.093 -3.848 299 3HG2 THR 27 1HG2 THR 27 13.626 -4.313 -3.560 300 QG2 THR 27 QG2 THR 27 12.894 -4.967 -3.268 301 H GLN 28 HN GLN 28 11.449 -3.611 0.838 302 HA GLN 28 HA GLN 28 9.426 -2.166 1.979 303 1HB GLN 28 2HB GLN 28 11.516 -2.879 3.135 304 2HB GLN 28 3HB GLN 28 12.429 -1.681 2.214 305 1HG GLN 28 2HG GLN 28 12.136 -0.745 4.340 306 2HG GLN 28 3HG GLN 28 10.996 0.139 3.325 307 1HE2 GLN 28 2HE2 GLN 28 9.268 -0.708 6.500 308 2HE2 GLN 28 1HE2 GLN 28 10.581 0.325 5.975 309 QB GLN 28 QB GLN 28 11.972 -2.279 2.674 310 QG GLN 28 QG GLN 28 11.566 -0.302 3.833 311 QE2 GLN 28 QE2 GLN 28 9.924 -0.191 6.237 312 H GLN 29 HN GLN 29 12.051 -0.837 -0.067 313 HA GLN 29 HA GLN 29 11.404 1.843 0.219 314 1HB GLN 29 2HB GLN 29 13.371 0.468 -1.085 315 2HB GLN 29 3HB GLN 29 12.407 0.968 -2.475 316 1HG GLN 29 2HG GLN 29 14.110 2.631 -2.045 317 2HG GLN 29 3HG GLN 29 12.558 3.359 -1.596 318 1HE2 GLN 29 2HE2 GLN 29 13.620 3.864 1.787 319 2HE2 GLN 29 1HE2 GLN 29 12.526 4.358 0.586 320 QB GLN 29 QB GLN 29 12.890 0.718 -1.780 321 QG GLN 29 QG GLN 29 13.334 2.995 -1.820 322 QE2 GLN 29 QE2 GLN 29 13.073 4.111 1.187 323 H SER 30 HN SER 30 9.919 -0.544 -1.947 324 HA SER 30 HA SER 30 8.381 1.325 -3.515 325 1HB SER 30 2HB SER 30 8.113 -1.628 -2.971 326 2HB SER 30 3HB SER 30 6.993 -0.733 -3.974 327 HG SER 30 HG SER 30 8.925 -1.769 -5.011 328 QB SER 30 QB SER 30 7.553 -1.181 -3.472 329 H ILE 31 HN ILE 31 7.958 -0.290 -0.353 330 HA ILE 31 HA ILE 31 5.130 0.482 -0.188 331 HB ILE 31 HB ILE 31 6.954 -0.566 1.998 332 1HG1 ILE 31 2HG1 ILE 31 6.959 -2.262 0.302 333 2HG1 ILE 31 3HG1 ILE 31 5.824 -2.717 1.562 334 1HG2 ILE 31 3HG2 ILE 31 4.898 0.541 2.803 335 2HG2 ILE 31 1HG2 ILE 31 3.904 -0.484 1.778 336 3HG2 ILE 31 2HG2 ILE 31 4.855 -1.209 3.084 337 1HD1 ILE 31 1HD1 ILE 31 4.012 -1.611 -0.081 338 2HD1 ILE 31 2HD1 ILE 31 5.279 -1.902 -1.283 339 3HD1 ILE 31 3HD1 ILE 31 4.595 -3.243 -0.353 340 QG1 ILE 31 QG1 ILE 31 6.392 -2.489 0.932 341 QG2 ILE 31 QG2 ILE 31 4.553 -0.384 2.555 342 QD1 ILE 31 QD1 ILE 31 4.629 -2.253 -0.572 343 H GLU 32 HN GLU 32 8.253 1.588 1.164 344 HA GLU 32 HA GLU 32 7.292 3.757 2.690 345 1HB GLU 32 2HB GLU 32 9.581 3.161 2.896 346 2HB GLU 32 3HB GLU 32 9.890 3.380 1.163 347 1HG GLU 32 2HG GLU 32 9.586 5.805 1.339 348 2HG GLU 32 3HG GLU 32 9.124 5.658 3.040 349 QB GLU 32 QB GLU 32 9.736 3.271 2.029 350 QG GLU 32 QG GLU 32 9.355 5.732 2.190 351 H GLN 33 HN GLN 33 8.484 3.849 -0.726 352 HA GLN 33 HA GLN 33 7.761 6.516 -1.161 353 1HB GLN 33 2HB GLN 33 7.798 6.095 -3.536 354 2HB GLN 33 3HB GLN 33 9.116 5.198 -2.722 355 1HG GLN 33 2HG GLN 33 7.689 3.216 -2.833 356 2HG GLN 33 3HG GLN 33 6.487 4.083 -3.800 357 1HE2 GLN 33 2HE2 GLN 33 10.169 3.244 -5.508 358 2HE2 GLN 33 1HE2 GLN 33 10.047 3.485 -3.768 359 QB GLN 33 QB GLN 33 8.457 5.647 -3.130 360 QG GLN 33 QG GLN 33 7.087 3.650 -3.316 361 QE2 GLN 33 QE2 GLN 33 10.109 3.364 -4.638 362 H LEU 34 HN LEU 34 5.810 3.575 -1.482 363 HA LEU 34 HA LEU 34 3.505 4.983 -2.286 364 1HB LEU 34 2HB LEU 34 3.784 2.545 -2.560 365 2HB LEU 34 3HB LEU 34 3.482 2.337 -0.825 366 HG LEU 34 HG LEU 34 1.244 3.324 -1.084 367 1HD1 LEU 34 3HD1 LEU 34 2.160 3.841 -3.923 368 2HD1 LEU 34 1HD1 LEU 34 0.430 3.668 -3.549 369 3HD1 LEU 34 2HD1 LEU 34 1.368 4.957 -2.795 370 1HD2 LEU 34 3HD2 LEU 34 1.894 0.845 -1.757 371 2HD2 LEU 34 1HD2 LEU 34 0.249 1.479 -1.956 372 3HD2 LEU 34 2HD2 LEU 34 1.321 1.369 -3.361 373 QB LEU 34 QB LEU 34 3.633 2.440 -1.692 374 QD1 LEU 34 QD1 LEU 34 1.320 4.156 -3.422 375 QD2 LEU 34 QD2 LEU 34 1.155 1.231 -2.358 376 QQD LEU 34 QQD LEU 34 1.237 2.693 -2.890 377 H GLU 35 HN GLU 35 4.506 4.148 1.109 378 HA GLU 35 HA GLU 35 2.245 5.265 2.375 379 1HB GLU 35 2HB GLU 35 5.040 4.705 3.338 380 2HB GLU 35 3HB GLU 35 4.156 5.969 4.184 381 1HG GLU 35 2HG GLU 35 2.230 4.280 4.440 382 2HG GLU 35 3HG GLU 35 3.423 3.049 4.026 383 QB GLU 35 QB GLU 35 4.598 5.336 3.761 384 QG GLU 35 QG GLU 35 2.826 3.664 4.232 385 H ASN 36 HN ASN 36 5.352 6.909 1.477 386 HA ASN 36 HA ASN 36 3.964 9.510 2.013 387 1HB ASN 36 2HB ASN 36 6.136 10.565 1.824 388 2HB ASN 36 3HB ASN 36 6.079 9.314 3.062 389 1HD2 ASN 36 2HD2 ASN 36 8.231 8.436 -0.357 390 2HD2 ASN 36 1HD2 ASN 36 6.771 9.427 -0.504 391 QB ASN 36 QB ASN 36 6.107 9.940 2.442 392 QD2 ASN 36 QD2 ASN 36 7.501 8.932 -0.431 393 H GLY 37 HN GLY 37 3.313 7.769 -0.334 394 1HA GLY 37 1HA GLY 37 2.883 7.998 -2.585 395 2HA GLY 37 2HA GLY 37 2.290 9.574 -2.051 396 QA GLY 37 QA GLY 37 2.588 8.786 -2.318 397 H LYS 38 HN LYS 38 5.574 8.244 -2.477 398 HA LYS 38 HA LYS 38 6.541 10.730 -3.642 399 1HB LYS 38 2HB LYS 38 7.689 8.227 -2.693 400 2HB LYS 38 3HB LYS 38 8.461 8.695 -4.190 401 1HG LYS 38 2HG LYS 38 8.149 10.692 -1.908 402 2HG LYS 38 3HG LYS 38 9.388 9.441 -1.915 403 1HD LYS 38 2HD LYS 38 10.473 11.304 -2.694 404 2HD LYS 38 3HD LYS 38 10.268 10.292 -4.108 405 1HE LYS 38 2HE LYS 38 8.157 12.412 -3.582 406 2HE LYS 38 3HE LYS 38 9.773 12.985 -3.976 407 1HZ LYS 38 2HZ LYS 38 9.716 11.752 -6.011 408 2HZ LYS 38 3HZ LYS 38 8.212 11.171 -5.695 409 3HZ LYS 38 1HZ LYS 38 8.434 12.773 -5.921 410 QB LYS 38 QB LYS 38 8.075 8.461 -3.441 411 QG LYS 38 QG LYS 38 8.769 10.067 -1.912 412 QD LYS 38 QD LYS 38 10.370 10.798 -3.402 413 QE LYS 38 QE LYS 38 8.966 12.698 -3.779 414 QZ LYS 38 QZ LYS 38 8.788 11.899 -5.876 415 H THR 39 HN THR 39 5.153 7.857 -4.980 416 HA THR 39 HA THR 39 6.036 8.571 -7.735 417 HB THR 39 HB THR 39 5.141 5.943 -6.453 418 HG1 THR 39 1HG THR 39 7.303 6.456 -6.229 419 1HG2 THR 39 2HG2 THR 39 5.546 6.572 -9.405 420 2HG2 THR 39 3HG2 THR 39 5.592 4.944 -8.709 421 3HG2 THR 39 1HG2 THR 39 4.101 5.883 -8.606 422 QG2 THR 39 QG2 THR 39 5.080 5.800 -8.907 423 H LYS 40 HN LYS 40 4.436 8.781 -9.314 424 HA LYS 40 HA LYS 40 1.880 9.719 -8.423 425 1HB LYS 40 2HB LYS 40 1.413 10.204 -10.688 426 2HB LYS 40 3HB LYS 40 3.085 10.632 -10.342 427 1HG LYS 40 2HG LYS 40 3.680 8.305 -11.399 428 2HG LYS 40 3HG LYS 40 2.006 8.336 -12.004 429 1HD LYS 40 2HD LYS 40 2.576 10.654 -12.981 430 2HD LYS 40 3HD LYS 40 4.263 10.293 -12.558 431 1HE LYS 40 2HE LYS 40 3.834 8.044 -13.903 432 2HE LYS 40 3HE LYS 40 2.430 8.901 -14.557 433 1HZ LYS 40 3HZ LYS 40 3.994 10.616 -15.330 434 2HZ LYS 40 1HZ LYS 40 5.258 9.711 -14.789 435 3HZ LYS 40 2HZ LYS 40 4.297 9.144 -15.990 436 QB LYS 40 QB LYS 40 2.249 10.418 -10.515 437 QG LYS 40 QG LYS 40 2.843 8.321 -11.701 438 QD LYS 40 QD LYS 40 3.419 10.473 -12.769 439 QE LYS 40 QE LYS 40 3.132 8.472 -14.230 440 QZ LYS 40 QZ LYS 40 4.516 9.824 -15.370 441 NH1 ARG 41 NH2 ARG 41 2.096 4.038 -13.864 442 NH2 ARG 41 NH1 ARG 41 0.872 4.230 -15.831 443 H ARG 41 HN ARG 41 2.802 6.692 -10.214 444 HA ARG 41 HA ARG 41 0.297 5.439 -9.253 445 1HB ARG 41 2HB ARG 41 -0.298 6.669 -11.273 446 2HB ARG 41 3HB ARG 41 0.909 5.820 -12.224 447 1HG ARG 41 2HG ARG 41 -1.172 4.296 -10.639 448 2HG ARG 41 3HG ARG 41 -1.667 5.089 -12.120 449 1HD ARG 41 2HD ARG 41 0.515 2.930 -12.016 450 2HD ARG 41 3HD ARG 41 -1.166 2.679 -12.372 451 HE ARG 41 HE ARG 41 -1.084 3.734 -14.380 452 1HH1 ARG 41 2HH2 ARG 41 2.139 3.934 -12.847 453 2HH1 ARG 41 1HH2 ARG 41 2.963 4.171 -14.357 454 1HH2 ARG 41 2HH1 ARG 41 -0.011 4.202 -16.322 455 2HH2 ARG 41 1HH1 ARG 41 1.704 4.414 -16.372 456 QB ARG 41 QB ARG 41 0.305 6.244 -11.748 457 QG ARG 41 QG ARG 41 -1.419 4.693 -11.380 458 QD ARG 41 QD ARG 41 -0.325 2.805 -12.194 459 QH1 ARG 41 QH2 ARG 41 2.551 4.053 -13.602 460 QH2 ARG 41 QH1 ARG 41 0.847 4.309 -16.347 461 HA PRO 42 HA PRO 42 3.899 2.647 -9.348 462 1HB PRO 42 2HB PRO 42 3.111 0.876 -7.392 463 2HB PRO 42 3HB PRO 42 3.853 2.465 -7.064 464 1HG PRO 42 2HG PRO 42 0.970 1.651 -6.928 465 2HG PRO 42 3HG PRO 42 1.847 2.772 -5.870 466 1HD PRO 42 2HD PRO 42 0.191 3.545 -7.976 467 2HD PRO 42 3HD PRO 42 1.476 4.574 -7.322 468 QB PRO 42 QB PRO 42 3.481 1.670 -7.228 469 QG PRO 42 QG PRO 42 1.409 2.211 -6.399 470 QD PRO 42 QD PRO 42 0.833 4.059 -7.649 471 NH1 ARG 43 NH2 ARG 43 7.143 -3.278 -13.058 472 NH2 ARG 43 NH1 ARG 43 8.660 -4.609 -11.915 473 H ARG 43 HN ARG 43 4.272 0.479 -9.988 474 HA ARG 43 HA ARG 43 2.353 -0.614 -11.840 475 1HB ARG 43 2HB ARG 43 4.055 -2.318 -12.236 476 2HB ARG 43 3HB ARG 43 4.776 -0.706 -12.176 477 1HG ARG 43 2HG ARG 43 5.019 -1.513 -9.537 478 2HG ARG 43 3HG ARG 43 5.129 -3.060 -10.351 479 1HD ARG 43 2HD ARG 43 6.894 -1.010 -11.606 480 2HD ARG 43 3HD ARG 43 7.113 -1.083 -9.877 481 HE ARG 43 HE ARG 43 8.082 -3.119 -9.977 482 1HH1 ARG 43 2HH2 ARG 43 6.464 -2.532 -13.034 483 2HH1 ARG 43 1HH2 ARG 43 7.284 -3.785 -13.918 484 1HH2 ARG 43 2HH1 ARG 43 9.153 -4.854 -11.068 485 2HH2 ARG 43 1HH1 ARG 43 8.831 -5.168 -12.740 486 QB ARG 43 QB ARG 43 4.416 -1.511 -12.206 487 QG ARG 43 QG ARG 43 5.073 -2.286 -9.944 488 QD ARG 43 QD ARG 43 7.004 -1.046 -10.741 489 QH1 ARG 43 QH2 ARG 43 6.874 -3.159 -13.476 490 QH2 ARG 43 QH1 ARG 43 8.992 -5.011 -11.904 491 H PHE 44 HN PHE 44 3.186 -1.264 -8.481 492 HA PHE 44 HA PHE 44 1.683 -3.798 -8.439 493 1HB PHE 44 2HB PHE 44 2.528 -3.759 -6.018 494 2HB PHE 44 3HB PHE 44 3.721 -3.914 -7.283 495 HD1 PHE 44 2HD PHE 44 2.156 -1.468 -4.902 496 HD2 PHE 44 1HD PHE 44 5.552 -2.378 -7.396 497 HE1 PHE 44 2HE PHE 44 3.331 0.554 -4.070 498 HE2 PHE 44 1HE PHE 44 6.647 -0.263 -6.674 499 HZ PHE 44 HZ PHE 44 5.524 1.207 -5.017 500 QB PHE 44 QB PHE 44 3.125 -3.837 -6.650 501 QR PHE 44 QR PHE 44 4.422 -0.888 -5.761 502 H LEU 45 HN LEU 45 0.244 -1.174 -8.913 503 HA LEU 45 HA LEU 45 -1.301 -0.583 -6.629 504 1HB LEU 45 2HB LEU 45 -1.668 -0.338 -9.577 505 2HB LEU 45 3HB LEU 45 -3.166 -0.366 -8.639 506 HG LEU 45 HG LEU 45 -0.852 1.518 -8.127 507 1HD1 LEU 45 1HD1 LEU 45 -1.919 1.893 -10.299 508 2HD1 LEU 45 2HD1 LEU 45 -3.516 1.959 -9.516 509 3HD1 LEU 45 3HD1 LEU 45 -2.282 3.191 -9.143 510 1HD2 LEU 45 2HD2 LEU 45 -3.681 1.352 -6.966 511 2HD2 LEU 45 3HD2 LEU 45 -2.156 1.319 -6.056 512 3HD2 LEU 45 1HD2 LEU 45 -2.669 2.802 -6.847 513 QB LEU 45 QB LEU 45 -2.417 -0.353 -9.108 514 QD1 LEU 45 QD1 LEU 45 -2.572 2.347 -9.653 515 QD2 LEU 45 QD2 LEU 45 -2.835 1.824 -6.623 516 QQD LEU 45 QQD LEU 45 -2.704 2.086 -8.138 517 HA PRO 46 HA PRO 46 -4.487 -3.920 -7.707 518 1HB PRO 46 2HB PRO 46 -3.795 -6.072 -9.295 519 2HB PRO 46 3HB PRO 46 -4.573 -4.577 -9.883 520 1HG PRO 46 2HG PRO 46 -1.676 -5.361 -10.048 521 2HG PRO 46 3HG PRO 46 -2.669 -4.492 -11.249 522 1HD PRO 46 2HD PRO 46 -0.898 -3.306 -9.527 523 2HD PRO 46 3HD PRO 46 -2.307 -2.448 -10.187 524 QB PRO 46 QB PRO 46 -4.184 -5.324 -9.589 525 QG PRO 46 QG PRO 46 -2.172 -4.927 -10.648 526 QD PRO 46 QD PRO 46 -1.603 -2.877 -9.857 527 H GLU 47 HN GLU 47 -1.132 -5.123 -7.758 528 HA GLU 47 HA GLU 47 -1.336 -7.306 -6.026 529 1HB GLU 47 2HB GLU 47 0.909 -5.283 -6.263 530 2HB GLU 47 3HB GLU 47 1.066 -6.929 -5.648 531 1HG GLU 47 2HG GLU 47 0.076 -6.523 -8.507 532 2HG GLU 47 3HG GLU 47 1.783 -6.339 -8.110 533 QB GLU 47 QB GLU 47 0.987 -6.106 -5.955 534 QG GLU 47 QG GLU 47 0.929 -6.432 -8.309 535 H LEU 48 HN LEU 48 -0.918 -3.793 -5.270 536 HA LEU 48 HA LEU 48 -0.696 -4.210 -2.445 537 1HB LEU 48 2HB LEU 48 -0.020 -2.166 -3.856 538 2HB LEU 48 3HB LEU 48 -1.700 -1.688 -3.782 539 HG LEU 48 HG LEU 48 -0.805 -0.473 -2.046 540 1HD1 LEU 48 3HD1 LEU 48 -2.462 -1.900 -0.858 541 2HD1 LEU 48 1HD1 LEU 48 -1.176 -3.067 -0.494 542 3HD1 LEU 48 2HD1 LEU 48 -1.107 -1.430 0.171 543 1HD2 LEU 48 3HD2 LEU 48 1.510 -1.385 -2.382 544 2HD2 LEU 48 1HD2 LEU 48 1.118 -1.138 -0.671 545 3HD2 LEU 48 2HD2 LEU 48 1.062 -2.761 -1.367 546 QB LEU 48 QB LEU 48 -0.861 -1.927 -3.819 547 QD1 LEU 48 QD1 LEU 48 -1.581 -2.133 -0.394 548 QD2 LEU 48 QD2 LEU 48 1.230 -1.761 -1.473 549 QQD LEU 48 QQD LEU 48 -0.176 -1.947 -0.933 550 H ALA 49 HN ALA 49 -3.366 -3.256 -4.603 551 HA ALA 49 HA ALA 49 -5.399 -2.927 -2.714 552 1HB ALA 49 1HB ALA 49 -5.502 -2.340 -5.128 553 2HB ALA 49 2HB ALA 49 -5.696 -4.060 -5.521 554 3HB ALA 49 3HB ALA 49 -6.934 -3.215 -4.567 555 QB ALA 49 QB ALA 49 -6.044 -3.205 -5.072 556 H SER 50 HN SER 50 -4.391 -5.992 -4.348 557 HA SER 50 HA SER 50 -6.292 -7.609 -2.893 558 1HB SER 50 2HB SER 50 -4.873 -9.473 -3.778 559 2HB SER 50 3HB SER 50 -5.433 -8.332 -5.022 560 HG SER 50 HG SER 50 -3.229 -8.670 -5.323 561 QB SER 50 QB SER 50 -5.153 -8.903 -4.400 562 H ALA 51 HN ALA 51 -2.751 -7.072 -2.546 563 HA ALA 51 HA ALA 51 -2.290 -8.649 -0.312 564 1HB ALA 51 1HB ALA 51 -0.534 -7.647 -1.699 565 2HB ALA 51 2HB ALA 51 -0.932 -6.032 -1.049 566 3HB ALA 51 3HB ALA 51 -0.256 -7.285 -0.008 567 QB ALA 51 QB ALA 51 -0.574 -6.988 -0.919 568 H LEU 52 HN LEU 52 -3.724 -5.426 -0.334 569 HA LEU 52 HA LEU 52 -3.893 -5.423 2.646 570 1HB LEU 52 2HB LEU 52 -4.292 -3.370 0.468 571 2HB LEU 52 3HB LEU 52 -5.191 -3.202 1.946 572 HG LEU 52 HG LEU 52 -2.169 -3.205 1.608 573 1HD1 LEU 52 1HD1 LEU 52 -4.183 -1.141 2.614 574 2HD1 LEU 52 2HD1 LEU 52 -2.418 -0.932 2.618 575 3HD1 LEU 52 3HD1 LEU 52 -3.309 -1.099 1.099 576 1HD2 LEU 52 3HD2 LEU 52 -3.696 -3.626 4.173 577 2HD2 LEU 52 1HD2 LEU 52 -2.164 -4.309 3.614 578 3HD2 LEU 52 2HD2 LEU 52 -2.234 -2.641 4.180 579 QB LEU 52 QB LEU 52 -4.741 -3.285 1.207 580 QD1 LEU 52 QD1 LEU 52 -3.303 -1.057 2.110 581 QD2 LEU 52 QD2 LEU 52 -2.697 -3.525 3.989 582 QQD LEU 52 QQD LEU 52 -3.000 -2.292 3.050 583 H GLY 53 HN GLY 53 -5.991 -5.805 -0.224 584 1HA GLY 53 1HA GLY 53 -8.029 -6.885 -0.274 585 2HA GLY 53 2HA GLY 53 -8.123 -6.904 1.492 586 QA GLY 53 QA GLY 53 -8.076 -6.894 0.609 587 H VAL 54 HN VAL 54 -7.963 -4.611 -1.248 588 HA VAL 54 HA VAL 54 -10.369 -3.161 -0.410 589 HB VAL 54 HB VAL 54 -9.148 -0.945 -0.625 590 1HG1 VAL 54 1HG1 VAL 54 -9.835 -1.948 1.566 591 2HG1 VAL 54 2HG1 VAL 54 -8.148 -2.522 1.739 592 3HG1 VAL 54 3HG1 VAL 54 -8.503 -0.789 1.635 593 1HG2 VAL 54 1HG2 VAL 54 -6.634 -2.645 -0.267 594 2HG2 VAL 54 2HG2 VAL 54 -7.066 -1.668 -1.690 595 3HG2 VAL 54 3HG2 VAL 54 -6.721 -0.890 -0.139 596 QG1 VAL 54 QG1 VAL 54 -8.829 -1.753 1.647 597 QG2 VAL 54 QG2 VAL 54 -6.807 -1.734 -0.698 598 QQG VAL 54 QQG VAL 54 -7.818 -1.744 0.474 599 H SER 55 HN SER 55 -10.674 -1.290 -2.176 600 HA SER 55 HA SER 55 -10.392 -2.499 -4.820 601 1HB SER 55 2HB SER 55 -11.770 -0.330 -5.288 602 2HB SER 55 3HB SER 55 -12.512 -1.621 -4.327 603 HG SER 55 HG SER 55 -11.271 0.719 -3.307 604 QB SER 55 QB SER 55 -12.141 -0.975 -4.808 605 H VAL 56 HN VAL 56 -8.985 -1.820 -6.352 606 HA VAL 56 HA VAL 56 -6.756 -0.155 -5.964 607 HB VAL 56 HB VAL 56 -8.314 -0.974 -8.457 608 1HG1 VAL 56 3HG1 VAL 56 -5.768 0.690 -8.309 609 2HG1 VAL 56 1HG1 VAL 56 -6.288 -0.203 -9.754 610 3HG1 VAL 56 2HG1 VAL 56 -7.299 1.096 -9.126 611 1HG2 VAL 56 2HG2 VAL 56 -7.025 -2.735 -7.239 612 2HG2 VAL 56 3HG2 VAL 56 -6.355 -2.409 -8.840 613 3HG2 VAL 56 1HG2 VAL 56 -5.557 -1.737 -7.406 614 QG1 VAL 56 QG1 VAL 56 -6.452 0.528 -9.063 615 QG2 VAL 56 QG2 VAL 56 -6.312 -2.294 -7.829 616 QQG VAL 56 QQG VAL 56 -6.382 -0.883 -8.445 617 H ASP 57 HN ASP 57 -9.985 0.770 -7.237 618 HA ASP 57 HA ASP 57 -9.653 3.476 -7.760 619 1HB ASP 57 2HB ASP 57 -11.770 2.358 -8.091 620 2HB ASP 57 3HB ASP 57 -11.912 1.975 -6.362 621 QB ASP 57 QB ASP 57 -11.842 2.166 -7.227 622 CH2 TRP 58 CH2 TRP 58 -7.393 2.309 2.535 623 H TRP 58 HN TRP 58 -10.004 1.958 -4.533 624 HA TRP 58 HA TRP 58 -10.156 4.549 -3.209 625 1HB TRP 58 2HB TRP 58 -11.350 2.671 -2.259 626 2HB TRP 58 3HB TRP 58 -9.855 1.744 -2.127 627 HD1 TRP 58 HD1 TRP 58 -11.587 4.780 -0.424 628 HE1 TRP 58 HE1 TRP 58 -10.562 5.116 1.855 629 HE3 TRP 58 HE3 TRP 58 -7.846 1.288 -0.690 630 HZ2 TRP 58 HZ2 TRP 58 -8.535 3.846 3.523 631 HZ3 TRP 58 HZ3 TRP 58 -6.312 0.983 1.240 632 HH2 TRP 58 HH2 TRP 58 -6.609 2.283 3.279 633 QB TRP 58 QB TRP 58 -10.603 2.208 -2.193 634 H LEU 59 HN LEU 59 -7.746 1.979 -3.660 635 HA LEU 59 HA LEU 59 -5.625 3.314 -2.291 636 1HB LEU 59 2HB LEU 59 -5.841 1.027 -4.210 637 2HB LEU 59 3HB LEU 59 -4.267 1.774 -4.096 638 HG LEU 59 HG LEU 59 -5.854 0.512 -1.839 639 1HD1 LEU 59 2HD1 LEU 59 -4.548 -0.855 -3.586 640 2HD1 LEU 59 3HD1 LEU 59 -3.087 -0.129 -2.893 641 3HD1 LEU 59 1HD1 LEU 59 -4.158 -1.133 -1.880 642 1HD2 LEU 59 2HD2 LEU 59 -3.267 2.124 -1.708 643 2HD2 LEU 59 3HD2 LEU 59 -4.704 2.279 -0.664 644 3HD2 LEU 59 1HD2 LEU 59 -3.660 0.876 -0.512 645 QB LEU 59 QB LEU 59 -5.054 1.400 -4.153 646 QD1 LEU 59 QD1 LEU 59 -3.931 -0.706 -2.786 647 QD2 LEU 59 QD2 LEU 59 -3.877 1.760 -0.961 648 QQD LEU 59 QQD LEU 59 -3.904 0.528 -1.874 649 H LEU 60 HN LEU 60 -6.864 3.737 -5.537 650 HA LEU 60 HA LEU 60 -4.722 5.514 -6.380 651 1HB LEU 60 2HB LEU 60 -7.518 4.924 -7.404 652 2HB LEU 60 3HB LEU 60 -6.501 6.185 -8.098 653 HG LEU 60 HG LEU 60 -5.560 3.313 -7.931 654 1HD1 LEU 60 3HD1 LEU 60 -7.661 3.451 -9.239 655 2HD1 LEU 60 1HD1 LEU 60 -6.965 4.753 -10.225 656 3HD1 LEU 60 2HD1 LEU 60 -6.268 3.119 -10.281 657 1HD2 LEU 60 3HD2 LEU 60 -4.667 5.829 -9.429 658 2HD2 LEU 60 1HD2 LEU 60 -3.722 4.850 -8.293 659 3HD2 LEU 60 2HD2 LEU 60 -4.151 4.207 -9.890 660 QB LEU 60 QB LEU 60 -7.009 5.555 -7.752 661 QD1 LEU 60 QD1 LEU 60 -6.965 3.774 -9.915 662 QD2 LEU 60 QD2 LEU 60 -4.180 4.962 -9.204 663 QQD LEU 60 QQD LEU 60 -5.573 4.368 -9.560 664 H ASN 61 HN ASN 61 -8.218 6.246 -5.622 665 HA ASN 61 HA ASN 61 -7.328 8.670 -4.165 666 1HB ASN 61 2HB ASN 61 -9.307 9.167 -6.387 667 2HB ASN 61 3HB ASN 61 -8.222 10.262 -5.548 668 1HD2 ASN 61 2HD2 ASN 61 -7.142 8.298 -8.976 669 2HD2 ASN 61 1HD2 ASN 61 -8.561 7.793 -8.068 670 QB ASN 61 QB ASN 61 -8.764 9.714 -5.968 671 QD2 ASN 61 QD2 ASN 61 -7.851 8.045 -8.522 672 H GLY 62 HN GLY 62 -8.448 6.878 -2.593 673 1HA GLY 62 1HA GLY 62 -11.121 7.979 -2.148 674 2HA GLY 62 2HA GLY 62 -10.885 6.235 -2.092 675 QA GLY 62 QA GLY 62 -11.003 7.106 -2.120 676 H THR 63 HN THR 63 -10.727 9.142 -0.537 677 HA THR 63 HA THR 63 -9.860 7.828 1.993 678 HB THR 63 HB THR 63 -8.471 9.558 2.675 679 HG1 THR 63 1HG THR 63 -9.680 11.256 1.335 680 1HG2 THR 63 3HG2 THR 63 -7.525 7.894 1.160 681 2HG2 THR 63 1HG2 THR 63 -7.737 8.974 -0.237 682 3HG2 THR 63 2HG2 THR 63 -6.613 9.418 1.034 683 QG2 THR 63 QG2 THR 63 -7.292 8.762 0.653 684 H SER 64 HN SER 64 -11.713 7.853 3.135 685 HA SER 64 HA SER 64 -13.108 10.417 3.629 686 1HB SER 64 2HB SER 64 -14.302 7.790 2.658 687 2HB SER 64 3HB SER 64 -15.249 9.055 3.473 688 HG SER 64 HG SER 64 -15.372 9.460 1.287 689 QB SER 64 QB SER 64 -14.776 8.423 3.065 690 H ASP 65 HN ASP 65 -11.981 10.420 5.656 691 HA ASP 65 HA ASP 65 -13.334 9.021 7.755 692 1HB ASP 65 2HB ASP 65 -11.616 7.307 7.117 693 2HB ASP 65 3HB ASP 65 -10.344 8.522 7.332 694 QB ASP 65 QB ASP 65 -10.980 7.915 7.224 695 H SER 66 HN SER 66 -12.406 9.939 9.829 696 HA SER 66 HA SER 66 -10.741 12.140 10.117 697 1HB SER 66 2HB SER 66 -12.100 13.497 8.611 698 2HB SER 66 3HB SER 66 -13.586 13.022 9.462 699 HG SER 66 HG SER 66 -12.731 14.092 11.296 700 QB SER 66 QB SER 66 -12.844 13.260 9.037 701 H ASN 67 HN ASN 67 -10.891 10.202 11.756 702 HA ASN 67 HA ASN 67 -12.473 11.195 14.117 703 1HB ASN 67 2HB ASN 67 -12.028 8.346 13.160 704 2HB ASN 67 3HB ASN 67 -12.391 8.728 14.850 705 1HD2 ASN 67 2HD2 ASN 67 -15.761 9.834 14.177 706 2HD2 ASN 67 1HD2 ASN 67 -14.381 10.259 15.175 707 QB ASN 67 QB ASN 67 -12.210 8.537 14.004 708 QD2 ASN 67 QD2 ASN 67 -15.071 10.047 14.676 709 H VAL 68 HN VAL 68 -9.960 8.681 13.821 710 HA VAL 68 HA VAL 68 -8.683 9.818 16.178 711 HB VAL 68 HB VAL 68 -9.089 7.453 15.943 712 1HG1 VAL 68 3HG1 VAL 68 -8.525 7.281 13.428 713 2HG1 VAL 68 1HG1 VAL 68 -6.832 7.166 13.943 714 3HG1 VAL 68 2HG1 VAL 68 -8.007 5.973 14.500 715 1HG2 VAL 68 2HG2 VAL 68 -7.367 8.210 17.476 716 2HG2 VAL 68 3HG2 VAL 68 -6.904 6.660 16.750 717 3HG2 VAL 68 1HG2 VAL 68 -6.139 8.157 16.194 718 QG1 VAL 68 QG1 VAL 68 -7.788 6.807 13.957 719 QG2 VAL 68 QG2 VAL 68 -6.803 7.676 16.807 720 QQG VAL 68 QQG VAL 68 -7.296 7.241 15.382 721 NH1 ARG 69 NH2 ARG 69 -1.111 12.373 17.855 722 NH2 ARG 69 NH1 ARG 69 -1.577 14.348 18.979 723 H ARG 69 HN ARG 69 -8.355 11.839 14.952 724 HA ARG 69 HA ARG 69 -6.869 13.441 14.409 725 1HB ARG 69 2HB ARG 69 -4.934 11.251 14.833 726 2HB ARG 69 3HB ARG 69 -4.453 12.339 13.538 727 1HG ARG 69 2HG ARG 69 -4.520 14.238 14.997 728 2HG ARG 69 3HG ARG 69 -5.374 13.322 16.263 729 1HD ARG 69 2HD ARG 69 -3.432 11.814 16.493 730 2HD ARG 69 3HD ARG 69 -2.539 12.769 15.280 731 HE ARG 69 HE ARG 69 -3.379 14.587 17.227 732 1HH1 ARG 69 2HH2 ARG 69 -1.317 11.742 17.095 733 2HH1 ARG 69 1HH2 ARG 69 -0.356 12.148 18.484 734 1HH2 ARG 69 2HH1 ARG 69 -2.132 15.184 19.092 735 2HH2 ARG 69 1HH1 ARG 69 -0.831 14.179 19.637 736 QB ARG 69 QB ARG 69 -4.693 11.794 14.186 737 QG ARG 69 QG ARG 69 -4.947 13.780 15.630 738 QD ARG 69 QD ARG 69 -2.985 12.291 15.886 739 QH1 ARG 69 QH2 ARG 69 -0.836 11.945 17.789 740 QH2 ARG 69 QH1 ARG 69 -1.482 14.682 19.365 Start of MODEL 14 Raw file had 740 H/Q atoms Start of MODEL 14 1 H SER 1 HN SER 1 -3.321 11.516 0.334 2 HA SER 1 HA SER 1 -2.350 11.172 3.103 3 1HB SER 1 2HB SER 1 -5.185 10.758 2.198 4 2HB SER 1 3HB SER 1 -4.503 10.924 3.855 5 HG SER 1 HG SER 1 -5.357 12.929 3.178 6 QB SER 1 QB SER 1 -4.844 10.841 3.027 7 H ILE 2 HN ILE 2 -2.253 9.674 0.224 8 HA ILE 2 HA ILE 2 -3.247 7.105 0.652 9 HB ILE 2 HB ILE 2 -2.571 7.853 -1.461 10 1HG1 ILE 2 2HG1 ILE 2 -0.636 5.586 -1.095 11 2HG1 ILE 2 3HG1 ILE 2 -2.309 5.305 -0.587 12 1HG2 ILE 2 2HG2 ILE 2 -0.593 9.206 -1.013 13 2HG2 ILE 2 3HG2 ILE 2 0.310 7.754 -0.534 14 3HG2 ILE 2 1HG2 ILE 2 -0.211 7.958 -2.207 15 1HD1 ILE 2 3HD1 ILE 2 -1.676 6.421 -3.335 16 2HD1 ILE 2 1HD1 ILE 2 -1.813 4.685 -2.988 17 3HD1 ILE 2 2HD1 ILE 2 -3.197 5.761 -2.704 18 QG1 ILE 2 QG1 ILE 2 -1.473 5.445 -0.842 19 QG2 ILE 2 QG2 ILE 2 -0.165 8.306 -1.251 20 QD1 ILE 2 QD1 ILE 2 -2.229 5.622 -3.009 21 H SER 3 HN SER 3 -0.413 8.636 2.008 22 HA SER 3 HA SER 3 1.026 6.492 3.134 23 1HB SER 3 2HB SER 3 1.454 8.245 4.953 24 2HB SER 3 3HB SER 3 1.822 8.779 3.312 25 HG SER 3 HG SER 3 0.280 10.049 4.895 26 QB SER 3 QB SER 3 1.637 8.512 4.133 27 H SER 4 HN SER 4 -1.389 8.456 4.764 28 HA SER 4 HA SER 4 -1.820 6.794 6.969 29 1HB SER 4 2HB SER 4 -3.871 8.637 5.687 30 2HB SER 4 3HB SER 4 -3.758 8.171 7.397 31 HG SER 4 HG SER 4 -1.739 9.250 7.473 32 QB SER 4 QB SER 4 -3.815 8.403 6.543 33 NH1 ARG 5 NH2 ARG 5 -6.074 8.818 -1.134 34 NH2 ARG 5 NH1 ARG 5 -5.828 6.863 -2.321 35 H ARG 5 HN ARG 5 -3.565 6.824 3.798 36 HA ARG 5 HA ARG 5 -5.484 4.838 4.516 37 1HB ARG 5 2HB ARG 5 -4.198 5.592 1.929 38 2HB ARG 5 3HB ARG 5 -5.361 4.413 1.884 39 1HG ARG 5 2HG ARG 5 -7.137 5.828 2.345 40 2HG ARG 5 3HG ARG 5 -6.182 6.871 3.390 41 1HD ARG 5 2HD ARG 5 -6.987 7.955 1.334 42 2HD ARG 5 3HD ARG 5 -5.236 8.045 1.562 43 HE ARG 5 HE ARG 5 -5.720 5.789 -0.051 44 1HH1 ARG 5 2HH2 ARG 5 -6.288 9.265 -0.259 45 2HH1 ARG 5 1HH2 ARG 5 -6.344 9.295 -1.985 46 1HH2 ARG 5 2HH1 ARG 5 -5.910 5.857 -2.359 47 2HH2 ARG 5 1HH1 ARG 5 -5.781 7.353 -3.208 48 QB ARG 5 QB ARG 5 -4.779 5.003 1.907 49 QG ARG 5 QG ARG 5 -6.659 6.349 2.868 50 QD ARG 5 QD ARG 5 -6.112 8.000 1.448 51 QH1 ARG 5 QH2 ARG 5 -6.316 9.280 -1.122 52 QH2 ARG 5 QH1 ARG 5 -5.845 6.605 -2.783 53 H VAL 6 HN VAL 6 -2.325 4.340 2.833 54 HA VAL 6 HA VAL 6 -2.385 1.524 2.761 55 HB VAL 6 HB VAL 6 -0.085 3.517 2.891 56 1HG1 VAL 6 1HG1 VAL 6 0.003 0.547 2.277 57 2HG1 VAL 6 2HG1 VAL 6 1.362 1.668 2.068 58 3HG1 VAL 6 3HG1 VAL 6 0.721 1.374 3.687 59 1HG2 VAL 6 1HG2 VAL 6 -1.553 2.101 0.639 60 2HG2 VAL 6 2HG2 VAL 6 -1.145 3.806 0.781 61 3HG2 VAL 6 3HG2 VAL 6 0.124 2.653 0.428 62 QG1 VAL 6 QG1 VAL 6 0.695 1.196 2.677 63 QG2 VAL 6 QG2 VAL 6 -0.858 2.854 0.616 64 QQG VAL 6 QQG VAL 6 -0.081 2.025 1.646 65 H LYS 7 HN LYS 7 -0.864 3.654 5.262 66 HA LYS 7 HA LYS 7 -0.055 1.426 6.835 67 1HB LYS 7 2HB LYS 7 0.752 3.894 6.741 68 2HB LYS 7 3HB LYS 7 -0.449 4.197 7.995 69 1HG LYS 7 2HG LYS 7 1.752 2.056 8.110 70 2HG LYS 7 3HG LYS 7 1.965 3.697 8.661 71 1HD LYS 7 2HD LYS 7 -0.407 2.918 9.978 72 2HD LYS 7 3HD LYS 7 0.508 1.419 9.917 73 1HE LYS 7 2HE LYS 7 0.910 2.652 12.007 74 2HE LYS 7 3HE LYS 7 2.414 2.492 11.087 75 1HZ LYS 7 1HZ LYS 7 0.701 4.888 10.960 76 2HZ LYS 7 2HZ LYS 7 1.904 4.719 12.070 77 3HZ LYS 7 3HZ LYS 7 2.267 4.742 10.471 78 QB LYS 7 QB LYS 7 0.152 4.045 7.369 79 QG LYS 7 QG LYS 7 1.859 2.877 8.386 80 QD LYS 7 QD LYS 7 0.050 2.168 9.948 81 QE LYS 7 QE LYS 7 1.661 2.572 11.547 82 QZ LYS 7 QZ LYS 7 1.623 4.783 11.167 83 H SER 8 HN SER 8 -3.021 3.471 6.998 84 HA SER 8 HA SER 8 -4.190 2.476 9.357 85 1HB SER 8 2HB SER 8 -5.423 3.398 6.729 86 2HB SER 8 3HB SER 8 -6.394 2.874 8.105 87 HG SER 8 HG SER 8 -5.954 5.171 8.032 88 QB SER 8 QB SER 8 -5.908 3.136 7.417 89 H LYS 9 HN LYS 9 -4.313 1.104 5.953 90 HA LYS 9 HA LYS 9 -6.063 -1.013 6.858 91 1HB LYS 9 2HB LYS 9 -4.845 -0.120 4.347 92 2HB LYS 9 3HB LYS 9 -4.687 -1.860 4.584 93 1HG LYS 9 2HG LYS 9 -7.325 -0.455 4.917 94 2HG LYS 9 3HG LYS 9 -6.701 -1.105 3.390 95 1HD LYS 9 2HD LYS 9 -7.024 -3.299 3.980 96 2HD LYS 9 3HD LYS 9 -6.453 -3.052 5.612 97 1HE LYS 9 2HE LYS 9 -8.677 -3.772 5.807 98 2HE LYS 9 3HE LYS 9 -8.688 -2.051 6.204 99 1HZ LYS 9 3HZ LYS 9 -9.454 -3.239 3.573 100 2HZ LYS 9 1HZ LYS 9 -10.494 -2.690 4.740 101 3HZ LYS 9 2HZ LYS 9 -9.504 -1.645 3.967 102 QB LYS 9 QB LYS 9 -4.767 -0.990 4.466 103 QG LYS 9 QG LYS 9 -7.013 -0.780 4.154 104 QD LYS 9 QD LYS 9 -6.739 -3.176 4.797 105 QE LYS 9 QE LYS 9 -8.682 -2.911 6.005 106 QZ LYS 9 QZ LYS 9 -9.818 -2.524 4.093 107 NH1 ARG 10 NH2 ARG 10 1.693 -1.091 3.741 108 NH2 ARG 10 NH1 ARG 10 2.905 0.544 4.797 109 H ARG 10 HN ARG 10 -2.537 -0.512 6.606 110 HA ARG 10 HA ARG 10 -1.687 -3.134 7.073 111 1HB ARG 10 2HB ARG 10 -0.367 -0.868 6.668 112 2HB ARG 10 3HB ARG 10 -0.310 -0.792 8.431 113 1HG ARG 10 2HG ARG 10 1.467 -2.120 8.387 114 2HG ARG 10 3HG ARG 10 0.400 -3.442 7.907 115 1HD ARG 10 2HD ARG 10 2.117 -3.345 6.239 116 2HD ARG 10 3HD ARG 10 0.646 -2.703 5.528 117 HE ARG 10 HE ARG 10 2.683 -0.864 6.790 118 1HH1 ARG 10 2HH2 ARG 10 1.072 -1.877 3.813 119 2HH1 ARG 10 1HH2 ARG 10 1.797 -0.622 2.853 120 1HH2 ARG 10 2HH1 ARG 10 3.150 1.139 5.590 121 2HH2 ARG 10 1HH1 ARG 10 3.246 0.975 3.929 122 QB ARG 10 QB ARG 10 -0.338 -0.829 7.550 123 QG ARG 10 QG ARG 10 0.933 -2.781 8.146 124 QD ARG 10 QD ARG 10 1.382 -3.024 5.884 125 QH1 ARG 10 QH2 ARG 10 1.435 -1.249 3.332 126 QH2 ARG 10 QH1 ARG 10 3.198 1.056 4.759 127 H ILE 11 HN ILE 11 -2.609 -0.587 9.422 128 HA ILE 11 HA ILE 11 -2.149 -2.212 11.748 129 HB ILE 11 HB ILE 11 -3.962 0.196 11.446 130 1HG1 ILE 11 2HG1 ILE 11 -1.855 1.036 10.930 131 2HG1 ILE 11 3HG1 ILE 11 -1.972 1.236 12.665 132 1HG2 ILE 11 2HG2 ILE 11 -2.892 -1.300 13.866 133 2HG2 ILE 11 3HG2 ILE 11 -3.566 0.343 13.950 134 3HG2 ILE 11 1HG2 ILE 11 -4.588 -0.995 13.432 135 1HD1 ILE 11 1HD1 ILE 11 -0.623 -0.910 12.923 136 2HD1 ILE 11 2HD1 ILE 11 -0.346 -0.860 11.167 137 3HD1 ILE 11 3HD1 ILE 11 0.245 0.444 12.187 138 QG1 ILE 11 QG1 ILE 11 -1.913 1.135 11.797 139 QG2 ILE 11 QG2 ILE 11 -3.682 -0.650 13.750 140 QD1 ILE 11 QD1 ILE 11 -0.241 -0.443 12.092 141 H GLN 12 HN GLN 12 -5.171 -1.449 9.967 142 HA GLN 12 HA GLN 12 -6.837 -3.141 11.529 143 1HB GLN 12 2HB GLN 12 -6.972 -2.134 8.689 144 2HB GLN 12 3HB GLN 12 -8.118 -3.377 9.197 145 1HG GLN 12 2HG GLN 12 -7.744 -0.742 10.688 146 2HG GLN 12 3HG GLN 12 -8.976 -1.039 9.456 147 1HE2 GLN 12 2HE2 GLN 12 -9.609 -2.461 13.208 148 2HE2 GLN 12 1HE2 GLN 12 -8.175 -1.524 12.830 149 QB GLN 12 QB GLN 12 -7.545 -2.755 8.943 150 QG GLN 12 QG GLN 12 -8.359 -0.890 10.073 151 QE2 GLN 12 QE2 GLN 12 -8.892 -1.992 13.019 152 H LEU 13 HN LEU 13 -4.713 -4.050 8.846 153 HA LEU 13 HA LEU 13 -5.444 -6.887 8.935 154 1HB LEU 13 2HB LEU 13 -3.376 -5.140 7.583 155 2HB LEU 13 3HB LEU 13 -3.120 -6.859 7.620 156 HG LEU 13 HG LEU 13 -4.437 -5.557 5.679 157 1HD1 LEU 13 1HD1 LEU 13 -4.220 -8.373 6.541 158 2HD1 LEU 13 2HD1 LEU 13 -5.609 -8.063 5.498 159 3HD1 LEU 13 3HD1 LEU 13 -3.982 -7.617 4.955 160 1HD2 LEU 13 3HD2 LEU 13 -6.411 -4.963 7.078 161 2HD2 LEU 13 1HD2 LEU 13 -6.830 -5.990 5.705 162 3HD2 LEU 13 2HD2 LEU 13 -6.755 -6.701 7.299 163 QB LEU 13 QB LEU 13 -3.248 -5.999 7.602 164 QD1 LEU 13 QD1 LEU 13 -4.604 -8.018 5.665 165 QD2 LEU 13 QD2 LEU 13 -6.665 -5.885 6.694 166 QQD LEU 13 QQD LEU 13 -5.634 -6.951 6.179 167 H GLY 14 HN GLY 14 -3.052 -4.860 10.485 168 1HA GLY 14 1HA GLY 14 -1.907 -5.268 12.450 169 2HA GLY 14 2HA GLY 14 -2.465 -6.949 12.464 170 QA GLY 14 QA GLY 14 -2.186 -6.108 12.457 171 H LEU 15 HN LEU 15 -0.924 -5.342 9.691 172 HA LEU 15 HA LEU 15 1.455 -7.164 9.993 173 1HB LEU 15 2HB LEU 15 0.326 -6.020 7.412 174 2HB LEU 15 3HB LEU 15 1.701 -7.114 7.587 175 HG LEU 15 HG LEU 15 -1.215 -7.766 8.036 176 1HD1 LEU 15 3HD1 LEU 15 -0.295 -7.756 5.705 177 2HD1 LEU 15 1HD1 LEU 15 0.933 -8.930 6.225 178 3HD1 LEU 15 2HD1 LEU 15 -0.794 -9.372 6.244 179 1HD2 LEU 15 1HD2 LEU 15 1.228 -9.409 8.793 180 2HD2 LEU 15 2HD2 LEU 15 -0.152 -8.958 9.815 181 3HD2 LEU 15 3HD2 LEU 15 -0.376 -10.115 8.505 182 QB LEU 15 QB LEU 15 1.014 -6.566 7.500 183 QD1 LEU 15 QD1 LEU 15 -0.052 -8.686 6.058 184 QD2 LEU 15 QD2 LEU 15 0.233 -9.494 9.037 185 QQD LEU 15 QQD LEU 15 0.090 -9.090 7.548 186 H ASN 16 HN ASN 16 3.203 -6.028 8.344 187 HA ASN 16 HA ASN 16 3.434 -3.141 8.996 188 1HB ASN 16 2HB ASN 16 5.637 -3.343 9.806 189 2HB ASN 16 3HB ASN 16 4.699 -4.528 10.714 190 1HD2 ASN 16 2HD2 ASN 16 6.310 -7.357 9.070 191 2HD2 ASN 16 1HD2 ASN 16 4.737 -6.908 9.618 192 QB ASN 16 QB ASN 16 5.168 -3.936 10.260 193 QD2 ASN 16 QD2 ASN 16 5.523 -7.133 9.344 194 H GLN 17 HN GLN 17 5.454 -2.315 7.827 195 HA GLN 17 HA GLN 17 4.900 -2.419 5.058 196 1HB GLN 17 2HB GLN 17 6.956 -1.136 6.805 197 2HB GLN 17 3HB GLN 17 7.382 -1.399 5.093 198 1HG GLN 17 2HG GLN 17 5.299 -0.191 4.488 199 2HG GLN 17 3HG GLN 17 5.077 0.200 6.214 200 1HE2 GLN 17 2HE2 GLN 17 6.954 3.143 5.562 201 2HE2 GLN 17 1HE2 GLN 17 5.332 2.544 5.894 202 QB GLN 17 QB GLN 17 7.169 -1.268 5.949 203 QG GLN 17 QG GLN 17 5.188 0.004 5.352 204 QE2 GLN 17 QE2 GLN 17 6.143 2.844 5.728 205 H ALA 18 HN ALA 18 7.317 -4.286 6.974 206 HA ALA 18 HA ALA 18 8.694 -5.252 4.645 207 1HB ALA 18 1HB ALA 18 9.552 -5.123 7.057 208 2HB ALA 18 2HB ALA 18 8.655 -6.629 7.342 209 3HB ALA 18 3HB ALA 18 9.938 -6.577 6.117 210 QB ALA 18 QB ALA 18 9.382 -6.109 6.839 211 H GLU 19 HN GLU 19 6.265 -6.768 6.844 212 HA GLU 19 HA GLU 19 5.887 -9.205 5.426 213 1HB GLU 19 2HB GLU 19 4.143 -7.501 7.206 214 2HB GLU 19 3HB GLU 19 3.475 -8.929 6.417 215 1HG GLU 19 2HG GLU 19 5.034 -10.408 7.442 216 2HG GLU 19 3HG GLU 19 5.963 -9.092 8.155 217 QB GLU 19 QB GLU 19 3.809 -8.215 6.811 218 QG GLU 19 QG GLU 19 5.498 -9.751 7.798 219 H LEU 20 HN LEU 20 4.410 -5.978 5.044 220 HA LEU 20 HA LEU 20 2.583 -6.835 3.011 221 1HB LEU 20 2HB LEU 20 2.076 -4.950 4.310 222 2HB LEU 20 3HB LEU 20 3.556 -4.107 3.857 223 HG LEU 20 HG LEU 20 1.469 -3.335 2.726 224 1HD1 LEU 20 2HD1 LEU 20 4.001 -3.481 1.768 225 2HD1 LEU 20 3HD1 LEU 20 3.109 -4.205 0.424 226 3HD1 LEU 20 1HD1 LEU 20 2.677 -2.601 1.039 227 1HD2 LEU 20 2HD2 LEU 20 0.240 -5.357 2.380 228 2HD2 LEU 20 3HD2 LEU 20 0.534 -4.516 0.841 229 3HD2 LEU 20 1HD2 LEU 20 1.473 -5.957 1.255 230 QB LEU 20 QB LEU 20 2.816 -4.528 4.083 231 QD1 LEU 20 QD1 LEU 20 3.262 -3.429 1.077 232 QD2 LEU 20 QD2 LEU 20 0.749 -5.276 1.492 233 QQD LEU 20 QQD LEU 20 2.006 -4.353 1.285 234 H ALA 21 HN ALA 21 5.872 -5.325 2.898 235 HA ALA 21 HA ALA 21 6.198 -5.163 0.123 236 1HB ALA 21 2HB ALA 21 8.150 -5.640 2.384 237 2HB ALA 21 3HB ALA 21 8.674 -5.651 0.700 238 3HB ALA 21 1HB ALA 21 7.897 -4.211 1.381 239 QB ALA 21 QB ALA 21 8.241 -5.168 1.488 240 H GLN 22 HN GLN 22 7.014 -8.001 2.194 241 HA GLN 22 HA GLN 22 7.617 -9.590 -0.152 242 1HB GLN 22 2HB GLN 22 7.292 -11.589 1.406 243 2HB GLN 22 3HB GLN 22 8.653 -10.499 1.647 244 1HG GLN 22 2HG GLN 22 7.951 -9.760 3.668 245 2HG GLN 22 3HG GLN 22 6.264 -9.742 3.173 246 1HE2 GLN 22 2HE2 GLN 22 5.545 -13.107 4.122 247 2HE2 GLN 22 1HE2 GLN 22 5.190 -11.945 2.849 248 QB GLN 22 QB GLN 22 7.972 -11.044 1.527 249 QG GLN 22 QG GLN 22 7.107 -9.751 3.420 250 QE2 GLN 22 QE2 GLN 22 5.367 -12.525 3.486 251 H LYS 23 HN LYS 23 4.514 -9.103 1.615 252 HA LYS 23 HA LYS 23 3.052 -11.054 0.103 253 1HB LYS 23 2HB LYS 23 2.416 -8.695 1.815 254 2HB LYS 23 3HB LYS 23 1.181 -9.102 0.637 255 1HG LYS 23 2HG LYS 23 0.676 -11.103 1.550 256 2HG LYS 23 3HG LYS 23 2.317 -11.413 2.153 257 1HD LYS 23 2HD LYS 23 2.063 -9.798 3.947 258 2HD LYS 23 3HD LYS 23 0.418 -9.402 3.441 259 1HE LYS 23 2HE LYS 23 1.416 -12.186 4.295 260 2HE LYS 23 3HE LYS 23 0.595 -11.060 5.368 261 1HZ LYS 23 1HZ LYS 23 -1.293 -11.125 3.796 262 2HZ LYS 23 2HZ LYS 23 -0.543 -12.353 2.990 263 3HZ LYS 23 3HZ LYS 23 -0.993 -12.552 4.559 264 QB LYS 23 QB LYS 23 1.799 -8.898 1.226 265 QG LYS 23 QG LYS 23 1.496 -11.259 1.851 266 QD LYS 23 QD LYS 23 1.241 -9.600 3.694 267 QE LYS 23 QE LYS 23 1.006 -11.622 4.831 268 QZ LYS 23 QZ LYS 23 -0.943 -12.009 3.782 269 H VAL 24 HN VAL 24 3.745 -7.639 -0.639 270 HA VAL 24 HA VAL 24 2.317 -7.709 -3.176 271 HB VAL 24 HB VAL 24 4.317 -5.805 -1.900 272 1HG1 VAL 24 1HG1 VAL 24 2.764 -5.436 -4.487 273 2HG1 VAL 24 2HG1 VAL 24 3.721 -4.187 -3.665 274 3HG1 VAL 24 3HG1 VAL 24 4.529 -5.587 -4.390 275 1HG2 VAL 24 2HG2 VAL 24 1.337 -5.671 -2.492 276 2HG2 VAL 24 3HG2 VAL 24 2.064 -5.898 -0.897 277 3HG2 VAL 24 1HG2 VAL 24 2.291 -4.362 -1.758 278 QG1 VAL 24 QG1 VAL 24 3.671 -5.069 -4.181 279 QG2 VAL 24 QG2 VAL 24 1.898 -5.311 -1.716 280 QQG VAL 24 QQG VAL 24 2.784 -5.190 -2.949 281 H GLY 25 HN GLY 25 5.557 -8.554 -2.071 282 1HA GLY 25 1HA GLY 25 7.086 -9.916 -3.184 283 2HA GLY 25 2HA GLY 25 6.186 -9.759 -4.703 284 QA GLY 25 QA GLY 25 6.636 -9.837 -3.944 285 H THR 26 HN THR 26 7.229 -7.205 -2.461 286 HA THR 26 HA THR 26 9.380 -6.321 -4.276 287 HB THR 26 HB THR 26 7.342 -5.033 -4.888 288 HG1 THR 26 1HG THR 26 9.374 -4.141 -5.112 289 1HG2 THR 26 2HG2 THR 26 6.236 -4.983 -2.666 290 2HG2 THR 26 3HG2 THR 26 7.461 -3.860 -2.072 291 3HG2 THR 26 1HG2 THR 26 6.386 -3.380 -3.400 292 QG2 THR 26 QG2 THR 26 6.694 -4.074 -2.712 293 H THR 27 HN THR 27 9.743 -3.972 -2.660 294 HA THR 27 HA THR 27 10.926 -5.188 -0.177 295 HB THR 27 HB THR 27 12.724 -3.380 -0.701 296 HG1 THR 27 1HG THR 27 11.319 -2.447 -2.446 297 1HG2 THR 27 1HG2 THR 27 12.359 -5.790 -2.543 298 2HG2 THR 27 2HG2 THR 27 13.876 -4.901 -2.297 299 3HG2 THR 27 3HG2 THR 27 13.143 -5.791 -0.948 300 QG2 THR 27 QG2 THR 27 13.126 -5.494 -1.929 301 H GLN 28 HN GLN 28 10.919 -3.897 1.670 302 HA GLN 28 HA GLN 28 8.842 -2.283 2.333 303 1HB GLN 28 2HB GLN 28 10.306 -3.151 3.961 304 2HB GLN 28 3HB GLN 28 11.713 -2.262 3.345 305 1HG GLN 28 2HG GLN 28 10.929 -0.192 4.204 306 2HG GLN 28 3HG GLN 28 9.273 -0.781 4.275 307 1HE2 GLN 28 2HE2 GLN 28 11.827 -1.678 7.375 308 2HE2 GLN 28 1HE2 GLN 28 12.492 -1.171 5.833 309 QB GLN 28 QB GLN 28 11.009 -2.707 3.653 310 QG GLN 28 QG GLN 28 10.101 -0.486 4.239 311 QE2 GLN 28 QE2 GLN 28 12.160 -1.425 6.604 312 H GLN 29 HN GLN 29 11.884 -1.106 0.893 313 HA GLN 29 HA GLN 29 11.459 1.621 0.961 314 1HB GLN 29 2HB GLN 29 13.287 -0.138 -0.289 315 2HB GLN 29 3HB GLN 29 12.515 0.672 -1.643 316 1HG GLN 29 2HG GLN 29 13.007 2.854 -0.082 317 2HG GLN 29 3HG GLN 29 14.256 1.769 0.547 318 1HE2 GLN 29 2HE2 GLN 29 14.380 3.138 -3.362 319 2HE2 GLN 29 1HE2 GLN 29 12.875 3.157 -2.452 320 QB GLN 29 QB GLN 29 12.901 0.267 -0.966 321 QG GLN 29 QG GLN 29 13.631 2.312 0.233 322 QE2 GLN 29 QE2 GLN 29 13.627 3.148 -2.907 323 H SER 30 HN SER 30 10.143 -0.713 -1.410 324 HA SER 30 HA SER 30 8.989 1.138 -3.235 325 1HB SER 30 2HB SER 30 8.166 -1.703 -2.622 326 2HB SER 30 3HB SER 30 7.844 -0.783 -4.088 327 HG SER 30 HG SER 30 9.674 -2.163 -4.264 328 QB SER 30 QB SER 30 8.006 -1.243 -3.355 329 H ILE 31 HN ILE 31 8.042 -0.244 -0.122 330 HA ILE 31 HA ILE 31 5.221 0.387 -0.457 331 HB ILE 31 HB ILE 31 6.660 -0.494 2.074 332 1HG1 ILE 31 2HG1 ILE 31 7.249 -2.152 0.422 333 2HG1 ILE 31 3HG1 ILE 31 5.985 -2.794 1.433 334 1HG2 ILE 31 1HG2 ILE 31 3.771 -0.642 1.135 335 2HG2 ILE 31 2HG2 ILE 31 4.415 -1.397 2.622 336 3HG2 ILE 31 3HG2 ILE 31 4.441 0.349 2.397 337 1HD1 ILE 31 2HD1 ILE 31 4.358 -1.961 -0.495 338 2HD1 ILE 31 3HD1 ILE 31 5.830 -1.835 -1.455 339 3HD1 ILE 31 1HD1 ILE 31 5.332 -3.393 -0.793 340 QG1 ILE 31 QG1 ILE 31 6.617 -2.473 0.927 341 QG2 ILE 31 QG2 ILE 31 4.209 -0.564 2.051 342 QD1 ILE 31 QD1 ILE 31 5.173 -2.396 -0.914 343 H GLU 32 HN GLU 32 8.004 1.578 1.510 344 HA GLU 32 HA GLU 32 6.892 3.868 2.642 345 1HB GLU 32 2HB GLU 32 9.118 3.399 3.198 346 2HB GLU 32 3HB GLU 32 9.654 3.306 1.518 347 1HG GLU 32 2HG GLU 32 9.417 5.731 1.222 348 2HG GLU 32 3HG GLU 32 8.715 5.893 2.831 349 QB GLU 32 QB GLU 32 9.386 3.352 2.357 350 QG GLU 32 QG GLU 32 9.066 5.812 2.026 351 H GLN 33 HN GLN 33 8.474 3.732 -0.615 352 HA GLN 33 HA GLN 33 7.845 6.361 -1.267 353 1HB GLN 33 2HB GLN 33 8.089 5.822 -3.635 354 2HB GLN 33 3HB GLN 33 9.372 5.101 -2.619 355 1HG GLN 33 2HG GLN 33 8.219 3.014 -2.707 356 2HG GLN 33 3HG GLN 33 6.952 3.645 -3.779 357 1HE2 GLN 33 2HE2 GLN 33 10.749 3.022 -5.301 358 2HE2 GLN 33 1HE2 GLN 33 10.541 3.360 -3.587 359 QB GLN 33 QB GLN 33 8.731 5.462 -3.128 360 QG GLN 33 QG GLN 33 7.586 3.329 -3.243 361 QE2 GLN 33 QE2 GLN 33 10.645 3.191 -4.445 362 H LEU 34 HN LEU 34 5.872 3.470 -1.761 363 HA LEU 34 HA LEU 34 3.758 4.848 -3.026 364 1HB LEU 34 2HB LEU 34 4.075 2.415 -3.090 365 2HB LEU 34 3HB LEU 34 3.540 2.279 -1.410 366 HG LEU 34 HG LEU 34 1.321 3.074 -1.956 367 1HD1 LEU 34 2HD1 LEU 34 2.442 3.611 -4.718 368 2HD1 LEU 34 3HD1 LEU 34 0.688 3.551 -4.348 369 3HD1 LEU 34 1HD1 LEU 34 1.688 4.796 -3.627 370 1HD2 LEU 34 1HD2 LEU 34 2.439 0.694 -3.068 371 2HD2 LEU 34 2HD2 LEU 34 0.747 1.054 -2.678 372 3HD2 LEU 34 3HD2 LEU 34 1.350 1.340 -4.302 373 QB LEU 34 QB LEU 34 3.807 2.347 -2.251 374 QD1 LEU 34 QD1 LEU 34 1.606 3.986 -4.231 375 QD2 LEU 34 QD2 LEU 34 1.511 1.029 -3.349 376 QQD LEU 34 QQD LEU 34 1.559 2.508 -3.790 377 H GLU 35 HN GLU 35 4.237 4.100 0.438 378 HA GLU 35 HA GLU 35 1.912 5.246 1.503 379 1HB GLU 35 2HB GLU 35 4.625 4.558 2.460 380 2HB GLU 35 3HB GLU 35 3.992 5.959 3.307 381 1HG GLU 35 2HG GLU 35 2.304 4.783 4.372 382 2HG GLU 35 3HG GLU 35 2.154 3.637 3.027 383 QB GLU 35 QB GLU 35 4.309 5.258 2.884 384 QG GLU 35 QG GLU 35 2.229 4.210 3.700 385 H ASN 36 HN ASN 36 5.109 6.924 1.105 386 HA ASN 36 HA ASN 36 3.650 9.471 1.549 387 1HB ASN 36 2HB ASN 36 5.843 10.561 1.342 388 2HB ASN 36 3HB ASN 36 5.732 9.335 2.603 389 1HD2 ASN 36 2HD2 ASN 36 7.879 8.225 -0.725 390 2HD2 ASN 36 1HD2 ASN 36 6.458 9.219 -0.984 391 QB ASN 36 QB ASN 36 5.787 9.948 1.972 392 QD2 ASN 36 QD2 ASN 36 7.168 8.721 -0.855 393 H GLY 37 HN GLY 37 3.434 7.617 -1.070 394 1HA GLY 37 1HA GLY 37 3.114 7.948 -3.278 395 2HA GLY 37 2HA GLY 37 2.442 9.510 -2.790 396 QA GLY 37 QA GLY 37 2.778 8.729 -3.034 397 H LYS 38 HN LYS 38 5.717 8.086 -2.981 398 HA LYS 38 HA LYS 38 6.889 10.526 -4.172 399 1HB LYS 38 2HB LYS 38 7.862 8.007 -2.938 400 2HB LYS 38 3HB LYS 38 8.866 8.562 -4.250 401 1HG LYS 38 2HG LYS 38 8.038 10.582 -2.175 402 2HG LYS 38 3HG LYS 38 9.234 9.374 -1.716 403 1HD LYS 38 2HD LYS 38 9.566 11.153 -4.150 404 2HD LYS 38 3HD LYS 38 10.176 11.514 -2.522 405 1HE LYS 38 2HE LYS 38 11.270 9.069 -2.711 406 2HE LYS 38 3HE LYS 38 11.044 9.332 -4.446 407 1HZ LYS 38 3HZ LYS 38 12.247 11.553 -3.866 408 2HZ LYS 38 1HZ LYS 38 12.790 10.698 -2.566 409 3HZ LYS 38 2HZ LYS 38 13.104 10.167 -4.087 410 QB LYS 38 QB LYS 38 8.364 8.284 -3.594 411 QG LYS 38 QG LYS 38 8.636 9.978 -1.945 412 QD LYS 38 QD LYS 38 9.871 11.333 -3.336 413 QE LYS 38 QE LYS 38 11.157 9.201 -3.578 414 QZ LYS 38 QZ LYS 38 12.713 10.806 -3.506 415 H THR 39 HN THR 39 4.821 8.551 -5.606 416 HA THR 39 HA THR 39 6.162 8.896 -8.164 417 HB THR 39 HB THR 39 6.521 6.448 -7.331 418 HG1 THR 39 1HG THR 39 6.968 6.738 -9.368 419 1HG2 THR 39 3HG2 THR 39 4.058 6.143 -6.631 420 2HG2 THR 39 1HG2 THR 39 3.678 6.118 -8.369 421 3HG2 THR 39 2HG2 THR 39 4.757 4.892 -7.681 422 QG2 THR 39 QG2 THR 39 4.164 5.718 -7.560 423 H LYS 40 HN LYS 40 4.550 8.542 -9.908 424 HA LYS 40 HA LYS 40 2.073 10.016 -9.156 425 1HB LYS 40 2HB LYS 40 3.374 9.545 -11.878 426 2HB LYS 40 3HB LYS 40 1.891 10.443 -11.559 427 1HG LYS 40 2HG LYS 40 3.264 12.233 -11.506 428 2HG LYS 40 3HG LYS 40 3.408 11.772 -9.824 429 1HD LYS 40 2HD LYS 40 5.556 12.314 -10.606 430 2HD LYS 40 3HD LYS 40 5.584 10.577 -10.380 431 1HE LYS 40 2HE LYS 40 4.822 11.624 -13.126 432 2HE LYS 40 3HE LYS 40 6.481 11.926 -12.614 433 1HZ LYS 40 3HZ LYS 40 5.278 9.247 -12.673 434 2HZ LYS 40 1HZ LYS 40 6.216 9.888 -13.859 435 3HZ LYS 40 2HZ LYS 40 6.855 9.629 -12.369 436 QB LYS 40 QB LYS 40 2.632 9.994 -11.718 437 QG LYS 40 QG LYS 40 3.336 12.002 -10.665 438 QD LYS 40 QD LYS 40 5.570 11.445 -10.493 439 QE LYS 40 QE LYS 40 5.652 11.776 -12.869 440 QZ LYS 40 QZ LYS 40 6.116 9.588 -12.967 441 NH1 ARG 41 NH2 ARG 41 -4.154 7.305 -11.643 442 NH2 ARG 41 NH1 ARG 41 -5.234 5.591 -12.770 443 H ARG 41 HN ARG 41 3.139 7.037 -10.854 444 HA ARG 41 HA ARG 41 0.535 5.862 -10.226 445 1HB ARG 41 2HB ARG 41 0.699 6.881 -12.700 446 2HB ARG 41 3HB ARG 41 1.564 5.383 -13.008 447 1HG ARG 41 2HG ARG 41 -0.690 4.947 -13.520 448 2HG ARG 41 3HG ARG 41 -0.438 4.148 -11.959 449 1HD ARG 41 2HD ARG 41 -1.608 5.960 -10.791 450 2HD ARG 41 3HD ARG 41 -1.544 6.975 -12.248 451 HE ARG 41 HE ARG 41 -2.961 4.501 -12.712 452 1HH1 ARG 41 2HH2 ARG 41 -3.315 7.672 -11.218 453 2HH1 ARG 41 1HH2 ARG 41 -4.999 7.854 -11.595 454 1HH2 ARG 41 2HH1 ARG 41 -5.216 4.695 -13.234 455 2HH2 ARG 41 1HH1 ARG 41 -6.111 6.091 -12.739 456 QB ARG 41 QB ARG 41 1.132 6.131 -12.854 457 QG ARG 41 QG ARG 41 -0.564 4.547 -12.740 458 QD ARG 41 QD ARG 41 -1.577 6.468 -11.520 459 QH1 ARG 41 QH2 ARG 41 -4.156 7.763 -11.407 460 QH2 ARG 41 QH1 ARG 41 -5.663 5.393 -12.987 461 HA PRO 42 HA PRO 42 3.934 2.918 -9.438 462 1HB PRO 42 2HB PRO 42 2.629 1.347 -7.586 463 2HB PRO 42 3HB PRO 42 3.417 2.876 -7.170 464 1HG PRO 42 2HG PRO 42 0.551 2.243 -7.609 465 2HG PRO 42 3HG PRO 42 1.212 3.461 -6.504 466 1HD PRO 42 2HD PRO 42 0.062 3.961 -9.003 467 2HD PRO 42 3HD PRO 42 1.085 5.107 -8.101 468 QB PRO 42 QB PRO 42 3.023 2.112 -7.378 469 QG PRO 42 QG PRO 42 0.881 2.852 -7.057 470 QD PRO 42 QD PRO 42 0.574 4.533 -8.552 471 NH1 ARG 43 NH2 ARG 43 6.373 -5.001 -10.428 472 NH2 ARG 43 NH1 ARG 43 6.279 -5.456 -12.699 473 H ARG 43 HN ARG 43 4.079 0.595 -9.702 474 HA ARG 43 HA ARG 43 2.174 -0.474 -11.690 475 1HB ARG 43 2HB ARG 43 3.820 -2.195 -12.056 476 2HB ARG 43 3HB ARG 43 4.614 -0.615 -12.071 477 1HG ARG 43 2HG ARG 43 5.261 -1.061 -9.605 478 2HG ARG 43 3HG ARG 43 4.687 -2.717 -9.856 479 1HD ARG 43 2HD ARG 43 6.851 -1.285 -11.460 480 2HD ARG 43 3HD ARG 43 7.173 -2.435 -10.178 481 HE ARG 43 HE ARG 43 6.307 -2.955 -12.927 482 1HH1 ARG 43 2HH2 ARG 43 6.363 -4.328 -9.678 483 2HH1 ARG 43 1HH2 ARG 43 6.330 -5.982 -10.190 484 1HH2 ARG 43 2HH1 ARG 43 6.236 -5.143 -13.658 485 2HH2 ARG 43 1HH1 ARG 43 6.259 -6.448 -12.518 486 QB ARG 43 QB ARG 43 4.216 -1.405 -12.063 487 QG ARG 43 QG ARG 43 4.974 -1.890 -9.731 488 QD ARG 43 QD ARG 43 7.013 -1.860 -10.819 489 QH1 ARG 43 QH2 ARG 43 6.346 -5.155 -9.935 490 QH2 ARG 43 QH1 ARG 43 6.248 -5.796 -13.088 491 H PHE 44 HN PHE 44 3.258 -1.031 -8.353 492 HA PHE 44 HA PHE 44 1.660 -3.504 -8.204 493 1HB PHE 44 2HB PHE 44 2.689 -3.544 -5.862 494 2HB PHE 44 3HB PHE 44 3.731 -3.782 -7.241 495 HD1 PHE 44 1HD PHE 44 2.404 -0.807 -5.270 496 HD2 PHE 44 2HD PHE 44 5.838 -2.753 -7.011 497 HE1 PHE 44 1HE PHE 44 3.754 1.224 -4.906 498 HE2 PHE 44 2HE PHE 44 7.228 -0.777 -6.448 499 HZ PHE 44 HZ PHE 44 6.202 1.167 -5.257 500 QB PHE 44 QB PHE 44 3.210 -3.663 -6.551 501 QR PHE 44 QR PHE 44 4.807 -0.779 -5.908 502 H LEU 45 HN LEU 45 0.326 -0.837 -8.539 503 HA LEU 45 HA LEU 45 -0.841 -0.163 -6.037 504 1HB LEU 45 2HB LEU 45 -1.009 1.060 -8.437 505 2HB LEU 45 3HB LEU 45 -2.450 0.080 -8.571 506 HG LEU 45 HG LEU 45 -3.235 0.995 -6.390 507 1HD1 LEU 45 1HD1 LEU 45 -0.901 1.938 -5.636 508 2HD1 LEU 45 2HD1 LEU 45 -1.215 3.257 -6.774 509 3HD1 LEU 45 3HD1 LEU 45 -2.269 3.012 -5.412 510 1HD2 LEU 45 2HD2 LEU 45 -3.685 1.952 -8.851 511 2HD2 LEU 45 3HD2 LEU 45 -4.385 2.681 -7.395 512 3HD2 LEU 45 1HD2 LEU 45 -2.950 3.395 -8.150 513 QB LEU 45 QB LEU 45 -1.729 0.570 -8.504 514 QD1 LEU 45 QD1 LEU 45 -1.462 2.736 -5.940 515 QD2 LEU 45 QD2 LEU 45 -3.674 2.676 -8.132 516 QQD LEU 45 QQD LEU 45 -2.568 2.707 -7.036 517 HA PRO 46 HA PRO 46 -4.328 -3.257 -6.921 518 1HB PRO 46 2HB PRO 46 -3.917 -5.387 -8.622 519 2HB PRO 46 3HB PRO 46 -4.679 -3.840 -9.074 520 1HG PRO 46 2HG PRO 46 -1.909 -4.793 -9.670 521 2HG PRO 46 3HG PRO 46 -2.957 -3.708 -10.620 522 1HD PRO 46 2HD PRO 46 -0.851 -2.998 -8.929 523 2HD PRO 46 3HD PRO 46 -2.068 -1.860 -9.561 524 QB PRO 46 QB PRO 46 -4.297 -4.613 -8.848 525 QG PRO 46 QG PRO 46 -2.433 -4.251 -10.145 526 QD PRO 46 QD PRO 46 -1.460 -2.429 -9.245 527 H GLU 47 HN GLU 47 -1.028 -4.731 -7.261 528 HA GLU 47 HA GLU 47 -1.445 -6.889 -5.514 529 1HB GLU 47 2HB GLU 47 1.052 -5.238 -5.993 530 2HB GLU 47 3HB GLU 47 1.000 -6.806 -5.167 531 1HG GLU 47 2HG GLU 47 1.133 -7.874 -7.128 532 2HG GLU 47 3HG GLU 47 -0.386 -7.153 -7.659 533 QB GLU 47 QB GLU 47 1.026 -6.022 -5.580 534 QG GLU 47 QG GLU 47 0.374 -7.513 -7.394 535 H LEU 48 HN LEU 48 -0.367 -3.511 -4.691 536 HA LEU 48 HA LEU 48 -0.214 -4.112 -1.887 537 1HB LEU 48 2HB LEU 48 1.001 -2.279 -2.931 538 2HB LEU 48 3HB LEU 48 -0.505 -1.420 -3.256 539 HG LEU 48 HG LEU 48 -0.229 -2.339 -0.434 540 1HD1 LEU 48 2HD1 LEU 48 2.125 -1.969 -0.949 541 2HD1 LEU 48 3HD1 LEU 48 1.797 -0.267 -1.261 542 3HD1 LEU 48 1HD1 LEU 48 1.464 -0.915 0.332 543 1HD2 LEU 48 2HD2 LEU 48 -1.009 0.237 -1.827 544 2HD2 LEU 48 3HD2 LEU 48 -1.946 -0.769 -0.734 545 3HD2 LEU 48 1HD2 LEU 48 -0.616 0.222 -0.103 546 QB LEU 48 QB LEU 48 0.248 -1.850 -3.094 547 QD1 LEU 48 QD1 LEU 48 1.795 -1.050 -0.626 548 QD2 LEU 48 QD2 LEU 48 -1.191 -0.104 -0.888 549 QQD LEU 48 QQD LEU 48 0.302 -0.577 -0.757 550 H ALA 49 HN ALA 49 -2.807 -2.681 -3.913 551 HA ALA 49 HA ALA 49 -4.664 -2.164 -1.856 552 1HB ALA 49 1HB ALA 49 -4.802 -2.567 -4.797 553 2HB ALA 49 2HB ALA 49 -6.275 -2.989 -3.954 554 3HB ALA 49 3HB ALA 49 -5.619 -1.374 -3.758 555 QB ALA 49 QB ALA 49 -5.565 -2.310 -4.170 556 H SER 50 HN SER 50 -4.254 -5.177 -3.768 557 HA SER 50 HA SER 50 -6.282 -6.608 -2.333 558 1HB SER 50 2HB SER 50 -5.284 -8.613 -3.414 559 2HB SER 50 3HB SER 50 -5.673 -7.307 -4.548 560 HG SER 50 HG SER 50 -3.512 -6.754 -4.649 561 QB SER 50 QB SER 50 -5.479 -7.960 -3.980 562 H ALA 51 HN ALA 51 -2.710 -6.563 -2.022 563 HA ALA 51 HA ALA 51 -2.434 -8.388 0.067 564 1HB ALA 51 2HB ALA 51 -0.806 -5.880 -0.485 565 2HB ALA 51 3HB ALA 51 -0.309 -7.231 0.562 566 3HB ALA 51 1HB ALA 51 -0.528 -7.496 -1.181 567 QB ALA 51 QB ALA 51 -0.547 -6.869 -0.368 568 H LEU 52 HN LEU 52 -3.137 -4.850 0.316 569 HA LEU 52 HA LEU 52 -3.340 -5.009 3.222 570 1HB LEU 52 2HB LEU 52 -3.813 -2.882 1.153 571 2HB LEU 52 3HB LEU 52 -4.783 -2.805 2.592 572 HG LEU 52 HG LEU 52 -3.097 -1.437 3.196 573 1HD1 LEU 52 3HD1 LEU 52 -3.147 -3.383 4.927 574 2HD1 LEU 52 1HD1 LEU 52 -1.667 -3.959 4.147 575 3HD1 LEU 52 2HD1 LEU 52 -1.694 -2.356 4.867 576 1HD2 LEU 52 3HD2 LEU 52 -1.765 -1.826 1.216 577 2HD2 LEU 52 1HD2 LEU 52 -0.872 -1.489 2.716 578 3HD2 LEU 52 2HD2 LEU 52 -0.944 -3.164 2.081 579 QB LEU 52 QB LEU 52 -4.298 -2.843 1.872 580 QD1 LEU 52 QD1 LEU 52 -2.169 -3.233 4.647 581 QD2 LEU 52 QD2 LEU 52 -1.193 -2.159 2.004 582 QQD LEU 52 QQD LEU 52 -1.681 -2.696 3.326 583 H GLY 53 HN GLY 53 -5.650 -5.145 0.504 584 1HA GLY 53 1HA GLY 53 -7.710 -6.322 0.615 585 2HA GLY 53 2HA GLY 53 -7.789 -6.100 2.373 586 QA GLY 53 QA GLY 53 -7.749 -6.211 1.494 587 H VAL 54 HN VAL 54 -7.375 -4.017 -0.513 588 HA VAL 54 HA VAL 54 -9.920 -2.625 -0.094 589 HB VAL 54 HB VAL 54 -8.777 -0.382 -0.485 590 1HG1 VAL 54 2HG1 VAL 54 -9.742 -0.942 1.651 591 2HG1 VAL 54 3HG1 VAL 54 -8.235 -1.746 2.123 592 3HG1 VAL 54 1HG1 VAL 54 -8.261 0.002 1.880 593 1HG2 VAL 54 3HG2 VAL 54 -6.257 -1.969 0.163 594 2HG2 VAL 54 1HG2 VAL 54 -6.598 -0.923 -1.233 595 3HG2 VAL 54 2HG2 VAL 54 -6.372 -0.234 0.377 596 QG1 VAL 54 QG1 VAL 54 -8.747 -0.895 1.884 597 QG2 VAL 54 QG2 VAL 54 -6.409 -1.042 -0.231 598 QQG VAL 54 QQG VAL 54 -7.578 -0.969 0.827 599 H SER 55 HN SER 55 -10.241 -1.138 -2.110 600 HA SER 55 HA SER 55 -9.494 -2.689 -4.504 601 1HB SER 55 2HB SER 55 -11.356 -1.108 -5.401 602 2HB SER 55 3HB SER 55 -11.796 -2.361 -4.242 603 HG SER 55 HG SER 55 -11.360 0.393 -3.673 604 QB SER 55 QB SER 55 -11.575 -1.735 -4.822 605 H VAL 56 HN VAL 56 -8.696 -1.651 -6.402 606 HA VAL 56 HA VAL 56 -6.640 0.254 -6.149 607 HB VAL 56 HB VAL 56 -8.361 -0.407 -8.567 608 1HG1 VAL 56 2HG1 VAL 56 -6.883 1.719 -8.752 609 2HG1 VAL 56 3HG1 VAL 56 -5.502 0.632 -8.535 610 3HG1 VAL 56 1HG1 VAL 56 -6.579 0.439 -9.932 611 1HG2 VAL 56 3HG2 VAL 56 -7.154 -2.406 -7.492 612 2HG2 VAL 56 1HG2 VAL 56 -6.654 -2.033 -9.146 613 3HG2 VAL 56 2HG2 VAL 56 -5.636 -1.538 -7.778 614 QG1 VAL 56 QG1 VAL 56 -6.321 0.930 -9.073 615 QG2 VAL 56 QG2 VAL 56 -6.481 -1.992 -8.138 616 QQG VAL 56 QQG VAL 56 -6.402 -0.531 -8.605 617 H ASP 57 HN ASP 57 -10.100 0.734 -7.112 618 HA ASP 57 HA ASP 57 -10.152 3.483 -7.461 619 1HB ASP 57 2HB ASP 57 -12.135 1.456 -6.398 620 2HB ASP 57 3HB ASP 57 -12.490 3.169 -6.169 621 QB ASP 57 QB ASP 57 -12.313 2.313 -6.284 622 CH2 TRP 58 CH2 TRP 58 -7.119 2.910 2.609 623 H TRP 58 HN TRP 58 -9.858 1.721 -4.392 624 HA TRP 58 HA TRP 58 -10.334 4.146 -2.821 625 1HB TRP 58 2HB TRP 58 -11.129 1.959 -2.062 626 2HB TRP 58 3HB TRP 58 -9.457 1.405 -1.931 627 HD1 TRP 58 HD1 TRP 58 -11.964 3.798 -0.263 628 HE1 TRP 58 HE1 TRP 58 -11.129 4.452 2.016 629 HE3 TRP 58 HE3 TRP 58 -7.278 1.796 -0.605 630 HZ2 TRP 58 HZ2 TRP 58 -8.624 4.068 3.605 631 HZ3 TRP 58 HZ3 TRP 58 -5.690 1.989 1.290 632 HH2 TRP 58 HH2 TRP 58 -6.372 3.086 3.362 633 QB TRP 58 QB TRP 58 -10.293 1.682 -1.997 634 H LEU 59 HN LEU 59 -7.643 2.146 -4.078 635 HA LEU 59 HA LEU 59 -5.649 3.750 -2.771 636 1HB LEU 59 2HB LEU 59 -5.628 1.698 -4.927 637 2HB LEU 59 3HB LEU 59 -4.292 2.799 -4.906 638 HG LEU 59 HG LEU 59 -5.223 1.044 -2.625 639 1HD1 LEU 59 2HD1 LEU 59 -4.073 -0.080 -4.569 640 2HD1 LEU 59 3HD1 LEU 59 -2.617 0.842 -4.184 641 3HD1 LEU 59 1HD1 LEU 59 -3.267 -0.293 -3.000 642 1HD2 LEU 59 1HD2 LEU 59 -3.649 3.395 -2.301 643 2HD2 LEU 59 2HD2 LEU 59 -3.817 2.054 -1.159 644 3HD2 LEU 59 3HD2 LEU 59 -2.482 2.096 -2.317 645 QB LEU 59 QB LEU 59 -4.960 2.248 -4.916 646 QD1 LEU 59 QD1 LEU 59 -3.319 0.156 -3.917 647 QD2 LEU 59 QD2 LEU 59 -3.316 2.516 -1.926 648 QQD LEU 59 QQD LEU 59 -3.318 1.335 -2.922 649 H LEU 60 HN LEU 60 -7.638 4.403 -5.568 650 HA LEU 60 HA LEU 60 -5.977 6.783 -6.245 651 1HB LEU 60 2HB LEU 60 -8.540 5.773 -7.489 652 2HB LEU 60 3HB LEU 60 -7.548 7.124 -8.062 653 HG LEU 60 HG LEU 60 -6.669 4.199 -7.905 654 1HD1 LEU 60 1HD1 LEU 60 -7.344 6.009 -10.253 655 2HD1 LEU 60 2HD1 LEU 60 -6.700 4.352 -10.373 656 3HD1 LEU 60 3HD1 LEU 60 -8.300 4.631 -9.659 657 1HD2 LEU 60 3HD2 LEU 60 -5.129 6.654 -8.852 658 2HD2 LEU 60 1HD2 LEU 60 -4.674 5.524 -7.558 659 3HD2 LEU 60 2HD2 LEU 60 -4.680 4.980 -9.229 660 QB LEU 60 QB LEU 60 -8.044 6.449 -7.776 661 QD1 LEU 60 QD1 LEU 60 -7.448 4.997 -10.095 662 QD2 LEU 60 QD2 LEU 60 -4.828 5.720 -8.546 663 QQD LEU 60 QQD LEU 60 -6.138 5.359 -9.321 664 H ASN 61 HN ASN 61 -9.395 6.297 -5.260 665 HA ASN 61 HA ASN 61 -9.668 9.075 -4.363 666 1HB ASN 61 2HB ASN 61 -11.501 6.660 -4.113 667 2HB ASN 61 3HB ASN 61 -11.849 8.255 -3.437 668 1HD2 ASN 61 2HD2 ASN 61 -12.493 7.645 -7.378 669 2HD2 ASN 61 1HD2 ASN 61 -11.964 6.346 -6.328 670 QB ASN 61 QB ASN 61 -11.675 7.457 -3.775 671 QD2 ASN 61 QD2 ASN 61 -12.229 6.995 -6.853 672 H GLY 62 HN GLY 62 -9.871 5.921 -2.557 673 1HA GLY 62 1HA GLY 62 -9.181 5.501 -0.358 674 2HA GLY 62 2HA GLY 62 -8.249 6.980 -0.467 675 QA GLY 62 QA GLY 62 -8.714 6.241 -0.413 676 H THR 63 HN THR 63 -11.621 6.008 -0.317 677 HA THR 63 HA THR 63 -12.085 7.799 2.008 678 HB THR 63 HB THR 63 -14.301 8.130 0.858 679 HG1 THR 63 1HG THR 63 -14.505 7.238 -1.064 680 1HG2 THR 63 2HG2 THR 63 -12.431 9.862 0.988 681 2HG2 THR 63 3HG2 THR 63 -11.835 9.264 -0.575 682 3HG2 THR 63 1HG2 THR 63 -13.426 10.034 -0.476 683 QG2 THR 63 QG2 THR 63 -12.563 9.720 -0.021 684 H SER 64 HN SER 64 -12.245 6.350 3.543 685 HA SER 64 HA SER 64 -13.646 3.768 3.266 686 1HB SER 64 2HB SER 64 -11.594 4.013 4.695 687 2HB SER 64 3HB SER 64 -12.486 5.134 5.745 688 HG SER 64 HG SER 64 -13.599 3.487 6.533 689 QB SER 64 QB SER 64 -12.040 4.573 5.220 690 H ASP 65 HN ASP 65 -15.203 3.402 5.225 691 HA ASP 65 HA ASP 65 -17.584 4.871 4.991 692 1HB ASP 65 2HB ASP 65 -17.590 2.696 6.053 693 2HB ASP 65 3HB ASP 65 -16.478 3.256 7.323 694 QB ASP 65 QB ASP 65 -17.034 2.976 6.688 695 H SER 66 HN SER 66 -18.400 6.667 5.956 696 HA SER 66 HA SER 66 -17.312 7.976 8.238 697 1HB SER 66 2HB SER 66 -15.494 8.511 6.515 698 2HB SER 66 3HB SER 66 -16.715 9.412 5.611 699 HG SER 66 HG SER 66 -15.872 9.863 8.300 700 QB SER 66 QB SER 66 -16.104 8.962 6.063 701 H ASN 67 HN ASN 67 -19.591 7.690 8.616 702 HA ASN 67 HA ASN 67 -21.422 9.504 7.115 703 1HB ASN 67 2HB ASN 67 -21.847 6.989 7.816 704 2HB ASN 67 3HB ASN 67 -22.306 7.708 9.364 705 1HD2 ASN 67 2HD2 ASN 67 -24.931 7.689 6.328 706 2HD2 ASN 67 1HD2 ASN 67 -23.486 6.693 6.399 707 QB ASN 67 QB ASN 67 -22.077 7.348 8.590 708 QD2 ASN 67 QD2 ASN 67 -24.209 7.191 6.363 709 H VAL 68 HN VAL 68 -19.604 9.326 10.062 710 HA VAL 68 HA VAL 68 -21.124 10.823 11.860 711 HB VAL 68 HB VAL 68 -18.097 10.786 11.499 712 1HG1 VAL 68 2HG1 VAL 68 -18.804 12.573 13.040 713 2HG1 VAL 68 3HG1 VAL 68 -19.743 11.393 13.989 714 3HG1 VAL 68 1HG1 VAL 68 -17.969 11.280 13.890 715 1HG2 VAL 68 1HG2 VAL 68 -20.046 8.776 12.559 716 2HG2 VAL 68 2HG2 VAL 68 -18.418 8.554 11.885 717 3HG2 VAL 68 3HG2 VAL 68 -18.621 9.060 13.565 718 QG1 VAL 68 QG1 VAL 68 -18.838 11.749 13.640 719 QG2 VAL 68 QG2 VAL 68 -19.028 8.797 12.670 720 QQG VAL 68 QQG VAL 68 -18.933 10.272 13.155 721 NH1 ARG 69 NH2 ARG 69 -25.130 17.055 9.674 722 NH2 ARG 69 NH1 ARG 69 -26.726 16.345 8.151 723 H ARG 69 HN ARG 69 -21.330 12.994 12.314 724 HA ARG 69 HA ARG 69 -20.873 14.869 10.049 725 1HB ARG 69 2HB ARG 69 -22.756 14.895 12.444 726 2HB ARG 69 3HB ARG 69 -22.642 16.197 11.265 727 1HG ARG 69 2HG ARG 69 -23.430 13.325 10.567 728 2HG ARG 69 3HG ARG 69 -24.557 14.632 10.903 729 1HD ARG 69 2HD ARG 69 -22.815 15.742 8.947 730 2HD ARG 69 3HD ARG 69 -22.956 14.057 8.483 731 HE ARG 69 HE ARG 69 -25.076 14.462 7.746 732 1HH1 ARG 69 2HH2 ARG 69 -24.241 16.893 10.127 733 2HH1 ARG 69 1HH2 ARG 69 -25.678 17.856 9.950 734 1HH2 ARG 69 2HH1 ARG 69 -27.045 15.685 7.457 735 2HH2 ARG 69 1HH1 ARG 69 -27.324 17.123 8.385 736 QB ARG 69 QB ARG 69 -22.699 15.547 11.854 737 QG ARG 69 QG ARG 69 -23.993 13.979 10.734 738 QD ARG 69 QD ARG 69 -22.885 14.900 8.715 739 QH1 ARG 69 QH2 ARG 69 -24.959 17.373 10.038 740 QH2 ARG 69 QH1 ARG 69 -27.185 16.404 7.921 Start of MODEL 15 Raw file had 740 H/Q atoms Start of MODEL 15 1 H SER 1 HN SER 1 -1.101 10.651 -0.360 2 HA SER 1 HA SER 1 -2.014 10.272 1.764 3 1HB SER 1 2HB SER 1 -4.662 9.732 0.454 4 2HB SER 1 3HB SER 1 -4.312 10.095 2.149 5 HG SER 1 HG SER 1 -4.902 12.060 1.160 6 QB SER 1 QB SER 1 -4.487 9.913 1.302 7 H ILE 2 HN ILE 2 -1.473 8.356 -0.814 8 HA ILE 2 HA ILE 2 -2.486 5.876 -0.103 9 HB ILE 2 HB ILE 2 0.347 6.074 -1.071 10 1HG1 ILE 2 2HG1 ILE 2 -0.958 5.902 -3.432 11 2HG1 ILE 2 3HG1 ILE 2 -2.120 6.918 -2.580 12 1HG2 ILE 2 1HG2 ILE 2 -1.345 3.938 -0.529 13 2HG2 ILE 2 2HG2 ILE 2 -1.608 4.153 -2.248 14 3HG2 ILE 2 3HG2 ILE 2 0.021 3.885 -1.610 15 1HD1 ILE 2 1HD1 ILE 2 -0.138 8.520 -2.119 16 2HD1 ILE 2 2HD1 ILE 2 0.859 7.426 -3.069 17 3HD1 ILE 2 3HD1 ILE 2 -0.497 8.265 -3.834 18 QG1 ILE 2 QG1 ILE 2 -1.539 6.411 -3.006 19 QG2 ILE 2 QG2 ILE 2 -0.978 3.992 -1.462 20 QD1 ILE 2 QD1 ILE 2 0.074 8.070 -3.007 21 H SER 3 HN SER 3 0.082 7.752 1.365 22 HA SER 3 HA SER 3 1.261 5.987 3.171 23 1HB SER 3 2HB SER 3 1.333 8.717 2.797 24 2HB SER 3 3HB SER 3 0.332 8.678 4.232 25 HG SER 3 HG SER 3 2.956 7.826 3.885 26 QB SER 3 QB SER 3 0.833 8.698 3.514 27 H SER 4 HN SER 4 -1.677 7.902 3.905 28 HA SER 4 HA SER 4 -2.154 6.480 6.333 29 1HB SER 4 2HB SER 4 -3.036 8.755 5.848 30 2HB SER 4 3HB SER 4 -4.154 8.050 4.659 31 HG SER 4 HG SER 4 -4.792 6.662 6.581 32 QB SER 4 QB SER 4 -3.595 8.402 5.253 33 NH1 ARG 5 NH2 ARG 5 -4.920 7.059 -2.846 34 NH2 ARG 5 NH1 ARG 5 -6.069 8.885 -2.083 35 H ARG 5 HN ARG 5 -3.311 6.015 2.955 36 HA ARG 5 HA ARG 5 -5.313 4.117 3.591 37 1HB ARG 5 2HB ARG 5 -3.592 4.312 1.126 38 2HB ARG 5 3HB ARG 5 -4.965 3.366 1.147 39 1HG ARG 5 2HG ARG 5 -6.413 5.368 1.588 40 2HG ARG 5 3HG ARG 5 -4.968 6.375 1.607 41 1HD ARG 5 2HD ARG 5 -4.539 5.367 -0.795 42 2HD ARG 5 3HD ARG 5 -6.258 4.957 -0.725 43 HE ARG 5 HE ARG 5 -6.382 7.525 -0.007 44 1HH1 ARG 5 2HH2 ARG 5 -4.763 6.058 -2.850 45 2HH1 ARG 5 1HH2 ARG 5 -4.833 7.490 -3.757 46 1HH2 ARG 5 2HH1 ARG 5 -6.929 9.183 -1.626 47 2HH2 ARG 5 1HH1 ARG 5 -5.926 9.321 -2.983 48 QB ARG 5 QB ARG 5 -4.278 3.839 1.136 49 QG ARG 5 QG ARG 5 -5.691 5.871 1.597 50 QD ARG 5 QD ARG 5 -5.399 5.162 -0.760 51 QH1 ARG 5 QH2 ARG 5 -4.797 6.774 -3.304 52 QH2 ARG 5 QH1 ARG 5 -6.428 9.252 -2.305 53 H VAL 6 HN VAL 6 -2.027 3.466 2.331 54 HA VAL 6 HA VAL 6 -1.932 0.683 2.720 55 HB VAL 6 HB VAL 6 0.136 2.909 2.451 56 1HG1 VAL 6 2HG1 VAL 6 0.709 -0.016 2.996 57 2HG1 VAL 6 3HG1 VAL 6 1.864 1.113 2.239 58 3HG1 VAL 6 1HG1 VAL 6 1.257 1.444 3.865 59 1HG2 VAL 6 3HG2 VAL 6 -1.231 1.905 0.485 60 2HG2 VAL 6 1HG2 VAL 6 0.541 1.785 0.317 61 3HG2 VAL 6 2HG2 VAL 6 -0.396 0.391 0.887 62 QG1 VAL 6 QG1 VAL 6 1.277 0.847 3.033 63 QG2 VAL 6 QG2 VAL 6 -0.362 1.360 0.563 64 QQG VAL 6 QQG VAL 6 0.457 1.104 1.798 65 H LYS 7 HN LYS 7 -0.643 3.286 4.866 66 HA LYS 7 HA LYS 7 0.296 1.544 6.849 67 1HB LYS 7 2HB LYS 7 0.798 4.001 6.483 68 2HB LYS 7 3HB LYS 7 -0.742 4.357 7.269 69 1HG LYS 7 2HG LYS 7 0.322 2.894 9.239 70 2HG LYS 7 3HG LYS 7 1.819 3.129 8.332 71 1HD LYS 7 2HD LYS 7 1.861 4.938 9.858 72 2HD LYS 7 3HD LYS 7 1.324 5.629 8.336 73 1HE LYS 7 2HE LYS 7 -0.154 6.572 9.942 74 2HE LYS 7 3HE LYS 7 -1.114 5.295 9.202 75 1HZ LYS 7 2HZ LYS 7 0.124 4.079 11.283 76 2HZ LYS 7 3HZ LYS 7 -0.243 5.562 11.881 77 3HZ LYS 7 1HZ LYS 7 -1.433 4.613 11.258 78 QB LYS 7 QB LYS 7 0.028 4.179 6.876 79 QG LYS 7 QG LYS 7 1.071 3.012 8.786 80 QD LYS 7 QD LYS 7 1.592 5.283 9.097 81 QE LYS 7 QE LYS 7 -0.633 5.934 9.572 82 QZ LYS 7 QZ LYS 7 -0.517 4.751 11.474 83 H SER 8 HN SER 8 -2.851 3.365 6.830 84 HA SER 8 HA SER 8 -3.821 2.383 9.290 85 1HB SER 8 2HB SER 8 -5.446 3.140 6.832 86 2HB SER 8 3HB SER 8 -6.050 3.009 8.492 87 HG SER 8 HG SER 8 -4.102 4.792 7.473 88 QB SER 8 QB SER 8 -5.748 3.075 7.661 89 H LYS 9 HN LYS 9 -4.286 1.038 5.957 90 HA LYS 9 HA LYS 9 -5.896 -1.103 6.891 91 1HB LYS 9 2HB LYS 9 -4.894 -0.249 4.372 92 2HB LYS 9 3HB LYS 9 -4.264 -1.861 4.613 93 1HG LYS 9 2HG LYS 9 -7.169 -0.977 4.610 94 2HG LYS 9 3HG LYS 9 -6.290 -1.970 3.447 95 1HD LYS 9 2HD LYS 9 -5.909 -3.598 5.483 96 2HD LYS 9 3HD LYS 9 -7.278 -2.728 6.215 97 1HE LYS 9 2HE LYS 9 -8.614 -3.239 4.089 98 2HE LYS 9 3HE LYS 9 -7.226 -4.186 3.550 99 1HZ LYS 9 3HZ LYS 9 -7.606 -5.390 5.768 100 2HZ LYS 9 1HZ LYS 9 -9.133 -4.790 5.641 101 3HZ LYS 9 2HZ LYS 9 -8.504 -5.744 4.444 102 QB LYS 9 QB LYS 9 -4.580 -1.055 4.493 103 QG LYS 9 QG LYS 9 -6.730 -1.472 4.028 104 QD LYS 9 QD LYS 9 -6.594 -3.163 5.849 105 QE LYS 9 QE LYS 9 -7.920 -3.713 3.820 106 QZ LYS 9 QZ LYS 9 -8.415 -5.308 5.285 107 NH1 ARG 10 NH2 ARG 10 2.503 -1.088 4.724 108 NH2 ARG 10 NH1 ARG 10 2.961 1.016 5.511 109 H ARG 10 HN ARG 10 -2.353 -0.763 6.511 110 HA ARG 10 HA ARG 10 -1.545 -3.359 7.165 111 1HB ARG 10 2HB ARG 10 -0.248 -0.897 6.777 112 2HB ARG 10 3HB ARG 10 0.087 -1.250 8.470 113 1HG ARG 10 2HG ARG 10 0.730 -3.616 7.619 114 2HG ARG 10 3HG ARG 10 0.688 -2.896 6.015 115 1HD ARG 10 2HD ARG 10 2.476 -2.286 8.384 116 2HD ARG 10 3HD ARG 10 2.917 -2.800 6.747 117 HE ARG 10 HE ARG 10 2.774 -0.142 7.764 118 1HH1 ARG 10 2HH2 ARG 10 2.289 -2.057 4.900 119 2HH1 ARG 10 1HH2 ARG 10 2.596 -0.773 3.772 120 1HH2 ARG 10 2HH1 ARG 10 3.190 1.752 6.194 121 2HH2 ARG 10 1HH1 ARG 10 3.131 1.346 4.576 122 QB ARG 10 QB ARG 10 -0.080 -1.073 7.623 123 QG ARG 10 QG ARG 10 0.709 -3.257 6.817 124 QD ARG 10 QD ARG 10 2.696 -2.544 7.565 125 QH1 ARG 10 QH2 ARG 10 2.442 -1.415 4.336 126 QH2 ARG 10 QH1 ARG 10 3.160 1.549 5.384 127 H ILE 11 HN ILE 11 -2.240 -0.608 9.352 128 HA ILE 11 HA ILE 11 -1.758 -1.991 11.804 129 HB ILE 11 HB ILE 11 -3.526 0.404 11.169 130 1HG1 ILE 11 2HG1 ILE 11 -1.855 1.382 12.855 131 2HG1 ILE 11 3HG1 ILE 11 -0.857 -0.044 12.589 132 1HG2 ILE 11 3HG2 ILE 11 -3.009 -0.852 13.891 133 2HG2 ILE 11 1HG2 ILE 11 -3.814 0.701 13.600 134 3HG2 ILE 11 2HG2 ILE 11 -4.589 -0.779 13.084 135 1HD1 ILE 11 2HD1 ILE 11 -1.752 1.910 10.436 136 2HD1 ILE 11 3HD1 ILE 11 -0.211 1.998 11.313 137 3HD1 ILE 11 1HD1 ILE 11 -0.523 0.606 10.284 138 QG1 ILE 11 QG1 ILE 11 -1.356 0.669 12.722 139 QG2 ILE 11 QG2 ILE 11 -3.804 -0.310 13.525 140 QD1 ILE 11 QD1 ILE 11 -0.829 1.505 10.677 141 H GLN 12 HN GLN 12 -4.864 -1.447 10.075 142 HA GLN 12 HA GLN 12 -6.411 -3.105 11.774 143 1HB GLN 12 2HB GLN 12 -6.726 -2.278 8.883 144 2HB GLN 12 3HB GLN 12 -7.699 -3.612 9.495 145 1HG GLN 12 2HG GLN 12 -8.200 -1.886 11.507 146 2HG GLN 12 3HG GLN 12 -7.825 -0.713 10.241 147 1HE2 GLN 12 2HE2 GLN 12 -11.183 -3.129 10.031 148 2HE2 GLN 12 1HE2 GLN 12 -9.860 -3.549 11.101 149 QB GLN 12 QB GLN 12 -7.213 -2.945 9.188 150 QG GLN 12 QG GLN 12 -8.012 -1.300 10.874 151 QE2 GLN 12 QE2 GLN 12 -10.521 -3.339 10.566 152 H LEU 13 HN LEU 13 -4.428 -4.129 9.011 153 HA LEU 13 HA LEU 13 -5.066 -6.958 9.266 154 1HB LEU 13 2HB LEU 13 -3.134 -5.217 7.771 155 2HB LEU 13 3HB LEU 13 -2.577 -6.832 8.082 156 HG LEU 13 HG LEU 13 -3.825 -6.266 5.877 157 1HD1 LEU 13 3HD1 LEU 13 -4.320 -8.774 7.509 158 2HD1 LEU 13 1HD1 LEU 13 -4.661 -8.619 5.769 159 3HD1 LEU 13 2HD1 LEU 13 -2.998 -8.455 6.360 160 1HD2 LEU 13 2HD2 LEU 13 -5.914 -5.409 7.052 161 2HD2 LEU 13 3HD2 LEU 13 -6.136 -6.651 5.786 162 3HD2 LEU 13 1HD2 LEU 13 -6.271 -7.099 7.483 163 QB LEU 13 QB LEU 13 -2.856 -6.024 7.927 164 QD1 LEU 13 QD1 LEU 13 -3.993 -8.616 6.546 165 QD2 LEU 13 QD2 LEU 13 -6.107 -6.387 6.774 166 QQD LEU 13 QQD LEU 13 -5.050 -7.501 6.660 167 H GLY 14 HN GLY 14 -2.820 -4.816 10.903 168 1HA GLY 14 1HA GLY 14 -1.690 -5.158 12.865 169 2HA GLY 14 2HA GLY 14 -2.280 -6.827 12.937 170 QA GLY 14 QA GLY 14 -1.985 -5.992 12.901 171 H LEU 15 HN LEU 15 -0.553 -5.265 10.217 172 HA LEU 15 HA LEU 15 1.793 -7.078 10.692 173 1HB LEU 15 2HB LEU 15 0.635 -6.283 7.995 174 2HB LEU 15 3HB LEU 15 2.018 -7.335 8.285 175 HG LEU 15 HG LEU 15 -0.884 -7.925 8.880 176 1HD1 LEU 15 3HD1 LEU 15 0.012 -8.087 6.505 177 2HD1 LEU 15 1HD1 LEU 15 1.102 -9.364 7.085 178 3HD1 LEU 15 2HD1 LEU 15 -0.661 -9.593 7.157 179 1HD2 LEU 15 1HD2 LEU 15 1.524 -9.211 10.010 180 2HD2 LEU 15 2HD2 LEU 15 -0.148 -9.220 10.576 181 3HD2 LEU 15 3HD2 LEU 15 0.354 -10.321 9.293 182 QB LEU 15 QB LEU 15 1.326 -6.809 8.140 183 QD1 LEU 15 QD1 LEU 15 0.151 -9.015 6.916 184 QD2 LEU 15 QD2 LEU 15 0.577 -9.585 9.960 185 QQD LEU 15 QQD LEU 15 0.364 -9.299 8.438 186 H ASN 16 HN ASN 16 3.732 -6.310 9.625 187 HA ASN 16 HA ASN 16 3.967 -3.341 9.852 188 1HB ASN 16 2HB ASN 16 6.170 -3.507 10.383 189 2HB ASN 16 3HB ASN 16 5.454 -4.861 11.246 190 1HD2 ASN 16 2HD2 ASN 16 7.077 -7.312 9.064 191 2HD2 ASN 16 1HD2 ASN 16 5.538 -7.058 9.850 192 QB ASN 16 QB ASN 16 5.813 -4.184 10.814 193 QD2 ASN 16 QD2 ASN 16 6.308 -7.185 9.457 194 H GLN 17 HN GLN 17 5.633 -2.312 8.473 195 HA GLN 17 HA GLN 17 4.855 -2.298 5.802 196 1HB GLN 17 2HB GLN 17 6.940 -1.032 7.460 197 2HB GLN 17 3HB GLN 17 7.456 -1.333 5.804 198 1HG GLN 17 2HG GLN 17 5.195 -0.253 5.142 199 2HG GLN 17 3HG GLN 17 5.236 0.373 6.829 200 1HE2 GLN 17 2HE2 GLN 17 7.401 2.968 5.677 201 2HE2 GLN 17 1HE2 GLN 17 5.780 2.691 6.357 202 QB GLN 17 QB GLN 17 7.198 -1.183 6.632 203 QG GLN 17 QG GLN 17 5.216 0.060 5.985 204 QE2 GLN 17 QE2 GLN 17 6.590 2.830 6.017 205 H ALA 18 HN ALA 18 7.629 -4.116 7.208 206 HA ALA 18 HA ALA 18 8.626 -4.950 4.685 207 1HB ALA 18 2HB ALA 18 9.779 -4.974 6.997 208 2HB ALA 18 3HB ALA 18 8.961 -6.523 7.250 209 3HB ALA 18 1HB ALA 18 10.091 -6.323 5.896 210 QB ALA 18 QB ALA 18 9.610 -5.940 6.714 211 H GLU 19 HN GLU 19 6.399 -6.541 7.012 212 HA GLU 19 HA GLU 19 5.916 -8.973 5.609 213 1HB GLU 19 2HB GLU 19 4.332 -7.226 7.503 214 2HB GLU 19 3HB GLU 19 3.524 -8.571 6.707 215 1HG GLU 19 2HG GLU 19 4.937 -10.199 7.662 216 2HG GLU 19 3HG GLU 19 6.085 -9.003 8.271 217 QB GLU 19 QB GLU 19 3.928 -7.899 7.105 218 QG GLU 19 QG GLU 19 5.511 -9.601 7.967 219 H LEU 20 HN LEU 20 4.201 -5.826 5.520 220 HA LEU 20 HA LEU 20 2.361 -6.571 3.496 221 1HB LEU 20 2HB LEU 20 1.980 -4.699 4.857 222 2HB LEU 20 3HB LEU 20 3.458 -3.894 4.365 223 HG LEU 20 HG LEU 20 1.627 -4.679 2.116 224 1HD1 LEU 20 1HD1 LEU 20 0.053 -4.071 3.934 225 2HD1 LEU 20 2HD1 LEU 20 0.602 -2.391 3.788 226 3HD1 LEU 20 3HD1 LEU 20 -0.086 -3.210 2.393 227 1HD2 LEU 20 2HD2 LEU 20 3.572 -2.561 2.752 228 2HD2 LEU 20 3HD2 LEU 20 3.088 -3.237 1.201 229 3HD2 LEU 20 1HD2 LEU 20 2.133 -1.938 1.939 230 QB LEU 20 QB LEU 20 2.718 -4.296 4.612 231 QD1 LEU 20 QD1 LEU 20 0.189 -3.223 3.372 232 QD2 LEU 20 QD2 LEU 20 2.930 -2.579 1.964 233 QQD LEU 20 QQD LEU 20 1.561 -2.901 2.668 234 H ALA 21 HN ALA 21 5.651 -5.103 3.194 235 HA ALA 21 HA ALA 21 5.674 -4.949 0.384 236 1HB ALA 21 3HB ALA 21 7.363 -4.001 1.972 237 2HB ALA 21 1HB ALA 21 8.082 -5.619 2.113 238 3HB ALA 21 2HB ALA 21 8.041 -4.807 0.538 239 QB ALA 21 QB ALA 21 7.829 -4.809 1.540 240 H GLN 22 HN GLN 22 6.546 -7.724 2.494 241 HA GLN 22 HA GLN 22 7.151 -9.525 0.351 242 1HB GLN 22 2HB GLN 22 6.283 -9.922 3.232 243 2HB GLN 22 3HB GLN 22 6.234 -11.264 2.095 244 1HG GLN 22 2HG GLN 22 8.703 -10.642 1.528 245 2HG GLN 22 3HG GLN 22 8.648 -9.688 3.019 246 1HE2 GLN 22 2HE2 GLN 22 8.337 -13.833 3.161 247 2HE2 GLN 22 1HE2 GLN 22 7.837 -12.971 1.717 248 QB GLN 22 QB GLN 22 6.259 -10.592 2.663 249 QG GLN 22 QG GLN 22 8.675 -10.164 2.273 250 QE2 GLN 22 QE2 GLN 22 8.088 -13.402 2.439 251 H LYS 23 HN LYS 23 4.012 -8.831 1.973 252 HA LYS 23 HA LYS 23 2.493 -10.738 0.493 253 1HB LYS 23 2HB LYS 23 1.640 -8.059 1.651 254 2HB LYS 23 3HB LYS 23 0.544 -9.298 1.041 255 1HG LYS 23 2HG LYS 23 2.487 -10.013 3.244 256 2HG LYS 23 3HG LYS 23 1.012 -9.103 3.602 257 1HD LYS 23 2HD LYS 23 -0.361 -10.855 2.498 258 2HD LYS 23 3HD LYS 23 1.115 -11.791 2.179 259 1HE LYS 23 2HE LYS 23 1.552 -11.834 4.672 260 2HE LYS 23 3HE LYS 23 0.008 -11.005 4.929 261 1HZ LYS 23 2HZ LYS 23 0.284 -13.624 3.608 262 2HZ LYS 23 3HZ LYS 23 -0.102 -13.413 5.190 263 3HZ LYS 23 1HZ LYS 23 -1.124 -12.876 4.019 264 QB LYS 23 QB LYS 23 1.093 -8.679 1.346 265 QG LYS 23 QG LYS 23 1.749 -9.558 3.423 266 QD LYS 23 QD LYS 23 0.378 -11.324 2.338 267 QE LYS 23 QE LYS 23 0.780 -11.420 4.801 268 QZ LYS 23 QZ LYS 23 -0.314 -13.304 4.272 269 H VAL 24 HN VAL 24 3.378 -7.375 -0.246 270 HA VAL 24 HA VAL 24 1.993 -7.241 -2.787 271 HB VAL 24 HB VAL 24 4.305 -5.666 -1.613 272 1HG1 VAL 24 1HG1 VAL 24 2.475 -4.994 -3.964 273 2HG1 VAL 24 2HG1 VAL 24 3.647 -3.879 -3.224 274 3HG1 VAL 24 3HG1 VAL 24 4.213 -5.311 -4.085 275 1HG2 VAL 24 2HG2 VAL 24 1.912 -5.626 -0.453 276 2HG2 VAL 24 3HG2 VAL 24 2.814 -4.135 -0.782 277 3HG2 VAL 24 1HG2 VAL 24 1.505 -4.640 -1.852 278 QG1 VAL 24 QG1 VAL 24 3.445 -4.728 -3.758 279 QG2 VAL 24 QG2 VAL 24 2.077 -4.800 -1.029 280 QQG VAL 24 QQG VAL 24 2.761 -4.765 -2.393 281 H GLY 25 HN GLY 25 5.122 -8.513 -1.725 282 1HA GLY 25 1HA GLY 25 6.583 -9.870 -2.866 283 2HA GLY 25 2HA GLY 25 5.609 -9.729 -4.340 284 QA GLY 25 QA GLY 25 6.096 -9.799 -3.603 285 H THR 26 HN THR 26 6.968 -7.138 -2.296 286 HA THR 26 HA THR 26 9.054 -6.522 -4.309 287 HB THR 26 HB THR 26 7.156 -5.075 -4.910 288 HG1 THR 26 1HG THR 26 9.170 -4.202 -5.209 289 1HG2 THR 26 2HG2 THR 26 6.070 -4.932 -2.701 290 2HG2 THR 26 3HG2 THR 26 7.396 -3.935 -2.102 291 3HG2 THR 26 1HG2 THR 26 6.350 -3.331 -3.405 292 QG2 THR 26 QG2 THR 26 6.606 -4.066 -2.736 293 H THR 27 HN THR 27 9.731 -4.119 -2.837 294 HA THR 27 HA THR 27 10.895 -5.306 -0.349 295 HB THR 27 HB THR 27 12.735 -3.534 -0.988 296 HG1 THR 27 1HG THR 27 12.810 -3.095 -3.162 297 1HG2 THR 27 2HG2 THR 27 13.030 -6.030 -1.094 298 2HG2 THR 27 3HG2 THR 27 12.323 -6.018 -2.725 299 3HG2 THR 27 1HG2 THR 27 13.868 -5.196 -2.421 300 QG2 THR 27 QG2 THR 27 13.073 -5.748 -2.080 301 H GLN 28 HN GLN 28 10.992 -3.995 1.447 302 HA GLN 28 HA GLN 28 8.856 -2.402 2.027 303 1HB GLN 28 2HB GLN 28 10.697 -3.428 3.574 304 2HB GLN 28 3HB GLN 28 11.539 -1.878 3.346 305 1HG GLN 28 2HG GLN 28 9.430 -0.726 4.113 306 2HG GLN 28 3HG GLN 28 8.702 -2.326 4.343 307 1HE2 GLN 28 2HE2 GLN 28 11.663 -1.079 6.967 308 2HE2 GLN 28 1HE2 GLN 28 11.713 -0.555 5.295 309 QB GLN 28 QB GLN 28 11.118 -2.653 3.460 310 QG GLN 28 QG GLN 28 9.065 -1.527 4.228 311 QE2 GLN 28 QE2 GLN 28 11.689 -0.817 6.131 312 H GLN 29 HN GLN 29 11.956 -1.312 0.749 313 HA GLN 29 HA GLN 29 11.814 1.412 0.795 314 1HB GLN 29 2HB GLN 29 13.219 1.395 -1.118 315 2HB GLN 29 3HB GLN 29 13.591 -0.069 -0.196 316 1HG GLN 29 2HG GLN 29 12.063 -1.309 -1.789 317 2HG GLN 29 3HG GLN 29 12.010 0.148 -2.798 318 1HE2 GLN 29 2HE2 GLN 29 15.462 -0.032 -3.777 319 2HE2 GLN 29 1HE2 GLN 29 14.286 1.152 -3.215 320 QB GLN 29 QB GLN 29 13.404 0.663 -0.657 321 QG GLN 29 QG GLN 29 12.037 -0.580 -2.293 322 QE2 GLN 29 QE2 GLN 29 14.875 0.560 -3.497 323 H SER 30 HN SER 30 10.131 -0.719 -1.521 324 HA SER 30 HA SER 30 9.167 1.316 -3.235 325 1HB SER 30 2HB SER 30 8.005 -1.448 -2.709 326 2HB SER 30 3HB SER 30 7.743 -0.466 -4.157 327 HG SER 30 HG SER 30 9.459 -2.179 -4.127 328 QB SER 30 QB SER 30 7.873 -0.957 -3.433 329 H ILE 31 HN ILE 31 7.715 -0.376 -0.422 330 HA ILE 31 HA ILE 31 5.203 0.962 -0.540 331 HB ILE 31 HB ILE 31 6.692 -0.491 1.691 332 1HG1 ILE 31 2HG1 ILE 31 5.162 -2.236 1.294 333 2HG1 ILE 31 3HG1 ILE 31 4.236 -1.261 0.101 334 1HG2 ILE 31 2HG2 ILE 31 4.125 1.080 1.644 335 2HG2 ILE 31 3HG2 ILE 31 4.128 -0.444 2.515 336 3HG2 ILE 31 1HG2 ILE 31 5.279 0.816 2.966 337 1HD1 ILE 31 1HD1 ILE 31 7.029 -2.377 -0.264 338 2HD1 ILE 31 2HD1 ILE 31 5.523 -3.124 -0.835 339 3HD1 ILE 31 3HD1 ILE 31 6.009 -1.594 -1.518 340 QG1 ILE 31 QG1 ILE 31 4.699 -1.749 0.697 341 QG2 ILE 31 QG2 ILE 31 4.511 0.484 2.375 342 QD1 ILE 31 QD1 ILE 31 6.187 -2.365 -0.873 343 H GLU 32 HN GLU 32 8.130 1.458 1.505 344 HA GLU 32 HA GLU 32 7.377 3.737 2.849 345 1HB GLU 32 2HB GLU 32 9.490 2.408 3.123 346 2HB GLU 32 3HB GLU 32 10.156 3.264 1.723 347 1HG GLU 32 2HG GLU 32 10.937 4.335 3.750 348 2HG GLU 32 3HG GLU 32 9.798 5.441 2.962 349 QB GLU 32 QB GLU 32 9.823 2.835 2.423 350 QG GLU 32 QG GLU 32 10.367 4.888 3.356 351 H GLN 33 HN GLN 33 8.880 3.555 -0.376 352 HA GLN 33 HA GLN 33 8.946 6.231 -1.159 353 1HB GLN 33 2HB GLN 33 9.901 5.032 -2.776 354 2HB GLN 33 3HB GLN 33 8.938 3.609 -2.500 355 1HG GLN 33 2HG GLN 33 7.190 4.271 -3.929 356 2HG GLN 33 3HG GLN 33 7.743 5.949 -3.993 357 1HE2 GLN 33 2HE2 GLN 33 9.822 3.112 -6.169 358 2HE2 GLN 33 1HE2 GLN 33 8.920 2.618 -4.753 359 QB GLN 33 QB GLN 33 9.419 4.321 -2.638 360 QG GLN 33 QG GLN 33 7.466 5.110 -3.961 361 QE2 GLN 33 QE2 GLN 33 9.371 2.865 -5.461 362 H LEU 34 HN LEU 34 6.232 3.919 -1.527 363 HA LEU 34 HA LEU 34 4.541 6.002 -2.578 364 1HB LEU 34 2HB LEU 34 4.481 3.509 -3.105 365 2HB LEU 34 3HB LEU 34 3.720 3.275 -1.521 366 HG LEU 34 HG LEU 34 1.907 4.860 -2.293 367 1HD1 LEU 34 2HD1 LEU 34 3.628 5.526 -4.374 368 2HD1 LEU 34 3HD1 LEU 34 2.515 4.444 -5.161 369 3HD1 LEU 34 1HD1 LEU 34 1.887 5.863 -4.346 370 1HD2 LEU 34 2HD2 LEU 34 1.747 2.336 -2.384 371 2HD2 LEU 34 3HD2 LEU 34 0.767 3.137 -3.620 372 3HD2 LEU 34 1HD2 LEU 34 2.322 2.396 -4.058 373 QB LEU 34 QB LEU 34 4.101 3.392 -2.313 374 QD1 LEU 34 QD1 LEU 34 2.676 5.278 -4.627 375 QD2 LEU 34 QD2 LEU 34 1.612 2.622 -3.354 376 QQD LEU 34 QQD LEU 34 2.144 3.950 -3.990 377 H GLU 35 HN GLU 35 5.108 4.764 0.654 378 HA GLU 35 HA GLU 35 2.954 6.068 1.959 379 1HB GLU 35 2HB GLU 35 5.641 5.026 2.848 380 2HB GLU 35 3HB GLU 35 4.864 6.206 3.851 381 1HG GLU 35 2HG GLU 35 2.799 4.374 3.480 382 2HG GLU 35 3HG GLU 35 4.231 3.343 3.465 383 QB GLU 35 QB GLU 35 5.253 5.616 3.349 384 QG GLU 35 QG GLU 35 3.514 3.859 3.473 385 H ASN 36 HN ASN 36 6.264 7.217 1.053 386 HA ASN 36 HA ASN 36 5.606 9.864 2.076 387 1HB ASN 36 2HB ASN 36 7.660 10.633 1.359 388 2HB ASN 36 3HB ASN 36 7.899 9.008 2.005 389 1HD2 ASN 36 2HD2 ASN 36 9.785 8.247 -0.865 390 2HD2 ASN 36 1HD2 ASN 36 9.541 8.083 0.864 391 QB ASN 36 QB ASN 36 7.780 9.820 1.683 392 QD2 ASN 36 QD2 ASN 36 9.663 8.164 -0.001 393 H GLY 37 HN GLY 37 4.530 8.268 -0.694 394 1HA GLY 37 1HA GLY 37 3.202 8.927 -2.398 395 2HA GLY 37 2HA GLY 37 2.954 10.444 -1.517 396 QA GLY 37 QA GLY 37 3.078 9.685 -1.958 397 H LYS 38 HN LYS 38 6.078 9.298 -2.774 398 HA LYS 38 HA LYS 38 6.472 11.688 -4.303 399 1HB LYS 38 2HB LYS 38 8.540 10.614 -5.122 400 2HB LYS 38 3HB LYS 38 8.371 10.661 -3.373 401 1HG LYS 38 2HG LYS 38 7.612 8.279 -3.397 402 2HG LYS 38 3HG LYS 38 7.859 8.209 -5.142 403 1HD LYS 38 2HD LYS 38 10.007 8.960 -3.103 404 2HD LYS 38 3HD LYS 38 9.700 7.301 -3.597 405 1HE LYS 38 2HE LYS 38 9.968 8.851 -6.018 406 2HE LYS 38 3HE LYS 38 11.278 9.346 -4.939 407 1HZ LYS 38 2HZ LYS 38 11.847 6.986 -4.735 408 2HZ LYS 38 3HZ LYS 38 10.632 6.598 -5.780 409 3HZ LYS 38 1HZ LYS 38 11.911 7.489 -6.302 410 QB LYS 38 QB LYS 38 8.455 10.638 -4.248 411 QG LYS 38 QG LYS 38 7.735 8.243 -4.270 412 QD LYS 38 QD LYS 38 9.853 8.131 -3.350 413 QE LYS 38 QE LYS 38 10.623 9.098 -5.478 414 QZ LYS 38 QZ LYS 38 11.464 7.024 -5.606 415 H THR 39 HN THR 39 4.769 8.823 -5.230 416 HA THR 39 HA THR 39 5.154 9.513 -8.117 417 HB THR 39 HB THR 39 5.908 7.178 -7.221 418 HG1 THR 39 1HG THR 39 5.896 7.554 -9.361 419 1HG2 THR 39 1HG2 THR 39 3.608 6.809 -6.114 420 2HG2 THR 39 2HG2 THR 39 2.986 6.529 -7.745 421 3HG2 THR 39 3HG2 THR 39 4.257 5.478 -7.101 422 QG2 THR 39 QG2 THR 39 3.617 6.272 -6.987 423 H LYS 40 HN LYS 40 3.328 9.401 -9.442 424 HA LYS 40 HA LYS 40 0.832 10.284 -8.136 425 1HB LYS 40 2HB LYS 40 0.085 10.491 -10.574 426 2HB LYS 40 3HB LYS 40 1.277 11.629 -9.945 427 1HG LYS 40 2HG LYS 40 3.053 10.709 -11.114 428 2HG LYS 40 3HG LYS 40 2.248 9.174 -11.441 429 1HD LYS 40 2HD LYS 40 0.917 11.668 -12.485 430 2HD LYS 40 3HD LYS 40 2.458 11.261 -13.212 431 1HE LYS 40 2HE LYS 40 0.803 8.840 -13.043 432 2HE LYS 40 3HE LYS 40 -0.129 10.132 -13.786 433 1HZ LYS 40 3HZ LYS 40 2.595 9.469 -14.675 434 2HZ LYS 40 1HZ LYS 40 1.267 8.741 -15.303 435 3HZ LYS 40 2HZ LYS 40 1.461 10.363 -15.462 436 QB LYS 40 QB LYS 40 0.681 11.060 -10.259 437 QG LYS 40 QG LYS 40 2.650 9.942 -11.277 438 QD LYS 40 QD LYS 40 1.687 11.465 -12.849 439 QE LYS 40 QE LYS 40 0.337 9.486 -13.414 440 QZ LYS 40 QZ LYS 40 1.775 9.524 -15.147 441 NH1 ARG 41 NH2 ARG 41 -1.123 5.889 -14.565 442 NH2 ARG 41 NH1 ARG 41 -3.353 5.945 -15.189 443 H ARG 41 HN ARG 41 2.013 7.465 -10.018 444 HA ARG 41 HA ARG 41 -0.311 5.977 -9.070 445 1HB ARG 41 2HB ARG 41 -0.733 6.990 -11.480 446 2HB ARG 41 3HB ARG 41 0.367 5.698 -11.985 447 1HG ARG 41 2HG ARG 41 -1.296 4.318 -10.295 448 2HG ARG 41 3HG ARG 41 -2.415 5.564 -10.826 449 1HD ARG 41 2HD ARG 41 -0.820 3.844 -12.807 450 2HD ARG 41 3HD ARG 41 -2.236 3.238 -11.995 451 HE ARG 41 HE ARG 41 -3.673 4.511 -13.159 452 1HH1 ARG 41 2HH2 ARG 41 -0.420 5.564 -13.918 453 2HH1 ARG 41 1HH2 ARG 41 -0.849 6.395 -15.391 454 1HH2 ARG 41 2HH1 ARG 41 -4.312 5.662 -15.048 455 2HH2 ARG 41 1HH1 ARG 41 -3.147 6.528 -15.988 456 QB ARG 41 QB ARG 41 -0.183 6.344 -11.732 457 QG ARG 41 QG ARG 41 -1.856 4.941 -10.559 458 QD ARG 41 QD ARG 41 -1.528 3.541 -12.401 459 QH1 ARG 41 QH2 ARG 41 -0.634 5.980 -14.654 460 QH2 ARG 41 QH1 ARG 41 -3.729 6.095 -15.517 461 HA PRO 42 HA PRO 42 3.458 3.367 -8.910 462 1HB PRO 42 2HB PRO 42 2.530 1.436 -7.177 463 2HB PRO 42 3HB PRO 42 3.082 3.026 -6.652 464 1HG PRO 42 2HG PRO 42 0.316 1.974 -7.066 465 2HG PRO 42 3HG PRO 42 0.826 3.108 -5.813 466 1HD PRO 42 2HD PRO 42 -0.472 3.792 -8.217 467 2HD PRO 42 3HD PRO 42 0.408 4.939 -7.177 468 QB PRO 42 QB PRO 42 2.806 2.231 -6.914 469 QG PRO 42 QG PRO 42 0.571 2.540 -6.440 470 QD PRO 42 QD PRO 42 -0.032 4.365 -7.696 471 NH1 ARG 43 NH2 ARG 43 5.868 0.139 -15.912 472 NH2 ARG 43 NH1 ARG 43 7.787 -0.665 -14.888 473 H ARG 43 HN ARG 43 3.734 0.934 -9.185 474 HA ARG 43 HA ARG 43 1.988 -0.006 -11.380 475 1HB ARG 43 2HB ARG 43 4.672 0.093 -11.304 476 2HB ARG 43 3HB ARG 43 4.489 -1.424 -10.424 477 1HG ARG 43 2HG ARG 43 4.352 -2.448 -12.452 478 2HG ARG 43 3HG ARG 43 2.749 -1.742 -12.611 479 1HD ARG 43 2HD ARG 43 3.856 -1.092 -14.560 480 2HD ARG 43 3HD ARG 43 3.934 0.367 -13.549 481 HE ARG 43 HE ARG 43 6.246 -1.040 -12.932 482 1HH1 ARG 43 2HH2 ARG 43 4.884 0.357 -15.856 483 2HH1 ARG 43 1HH2 ARG 43 6.364 0.343 -16.766 484 1HH2 ARG 43 2HH1 ARG 43 8.249 -1.098 -14.100 485 2HH2 ARG 43 1HH1 ARG 43 8.336 -0.477 -15.714 486 QB ARG 43 QB ARG 43 4.579 -0.666 -10.865 487 QG ARG 43 QG ARG 43 3.550 -2.096 -12.532 488 QD ARG 43 QD ARG 43 3.895 -0.362 -14.055 489 QH1 ARG 43 QH2 ARG 43 5.624 0.350 -16.312 490 QH2 ARG 43 QH1 ARG 43 8.292 -0.787 -14.906 491 H PHE 44 HN PHE 44 2.983 -0.762 -8.087 492 HA PHE 44 HA PHE 44 1.643 -3.393 -8.124 493 1HB PHE 44 2HB PHE 44 2.660 -3.630 -5.914 494 2HB PHE 44 3HB PHE 44 3.840 -3.292 -7.156 495 HD1 PHE 44 1HD PHE 44 5.088 -1.133 -7.176 496 HD2 PHE 44 2HD PHE 44 2.170 -2.019 -4.142 497 HE1 PHE 44 1HE PHE 44 5.837 0.841 -5.867 498 HE2 PHE 44 2HE PHE 44 2.990 -0.120 -2.782 499 HZ PHE 44 HZ PHE 44 4.834 1.309 -3.642 500 QB PHE 44 QB PHE 44 3.250 -3.461 -6.535 501 QR PHE 44 QR PHE 44 4.021 -0.608 -4.992 502 H LEU 45 HN LEU 45 0.171 -0.664 -8.263 503 HA LEU 45 HA LEU 45 -1.206 -0.357 -5.808 504 1HB LEU 45 2HB LEU 45 -1.316 1.080 -8.116 505 2HB LEU 45 3HB LEU 45 -2.673 0.023 -8.416 506 HG LEU 45 HG LEU 45 -3.591 0.719 -6.141 507 1HD1 LEU 45 1HD1 LEU 45 -1.500 1.836 -5.243 508 2HD1 LEU 45 2HD1 LEU 45 -1.638 3.025 -6.553 509 3HD1 LEU 45 3HD1 LEU 45 -2.832 2.993 -5.314 510 1HD2 LEU 45 3HD2 LEU 45 -4.236 1.597 -8.537 511 2HD2 LEU 45 1HD2 LEU 45 -4.831 2.429 -7.093 512 3HD2 LEU 45 2HD2 LEU 45 -3.460 3.091 -8.006 513 QB LEU 45 QB LEU 45 -1.994 0.552 -8.266 514 QD1 LEU 45 QD1 LEU 45 -1.990 2.618 -5.703 515 QD2 LEU 45 QD2 LEU 45 -4.175 2.372 -7.879 516 QQD LEU 45 QQD LEU 45 -3.082 2.495 -6.791 517 HA PRO 46 HA PRO 46 -4.455 -3.508 -7.244 518 1HB PRO 46 2HB PRO 46 -3.792 -5.437 -9.107 519 2HB PRO 46 3HB PRO 46 -4.621 -3.898 -9.459 520 1HG PRO 46 2HG PRO 46 -1.773 -4.631 -9.964 521 2HG PRO 46 3HG PRO 46 -2.819 -3.488 -10.847 522 1HD PRO 46 2HD PRO 46 -0.861 -2.894 -8.940 523 2HD PRO 46 3HD PRO 46 -2.082 -1.748 -9.546 524 QB PRO 46 QB PRO 46 -4.206 -4.668 -9.284 525 QG PRO 46 QG PRO 46 -2.296 -4.060 -10.406 526 QD PRO 46 QD PRO 46 -1.472 -2.321 -9.243 527 H GLU 47 HN GLU 47 -1.086 -4.759 -7.502 528 HA GLU 47 HA GLU 47 -1.382 -7.154 -6.083 529 1HB GLU 47 2HB GLU 47 0.944 -5.195 -6.116 530 2HB GLU 47 3HB GLU 47 1.033 -6.868 -5.568 531 1HG GLU 47 2HG GLU 47 -0.143 -6.623 -8.297 532 2HG GLU 47 3HG GLU 47 1.501 -5.981 -8.171 533 QB GLU 47 QB GLU 47 0.988 -6.031 -5.842 534 QG GLU 47 QG GLU 47 0.679 -6.302 -8.234 535 H LEU 48 HN LEU 48 -0.610 -3.846 -4.825 536 HA LEU 48 HA LEU 48 -0.605 -4.679 -2.080 537 1HB LEU 48 2HB LEU 48 0.599 -2.775 -2.924 538 2HB LEU 48 3HB LEU 48 -0.871 -1.985 -3.436 539 HG LEU 48 HG LEU 48 -1.220 -2.603 -0.651 540 1HD1 LEU 48 2HD1 LEU 48 1.618 -2.215 -1.161 541 2HD1 LEU 48 3HD1 LEU 48 0.991 -0.894 -0.202 542 3HD1 LEU 48 1HD1 LEU 48 0.731 -2.566 0.321 543 1HD2 LEU 48 1HD2 LEU 48 -1.979 -0.667 -2.191 544 2HD2 LEU 48 2HD2 LEU 48 -1.774 -0.387 -0.489 545 3HD2 LEU 48 3HD2 LEU 48 -0.512 0.150 -1.644 546 QB LEU 48 QB LEU 48 -0.136 -2.380 -3.180 547 QD1 LEU 48 QD1 LEU 48 1.113 -1.892 -0.348 548 QD2 LEU 48 QD2 LEU 48 -1.422 -0.301 -1.441 549 QQD LEU 48 QQD LEU 48 -0.154 -1.097 -0.894 550 H ALA 49 HN ALA 49 -3.127 -3.184 -4.152 551 HA ALA 49 HA ALA 49 -5.139 -2.919 -2.242 552 1HB ALA 49 2HB ALA 49 -5.300 -3.690 -5.172 553 2HB ALA 49 3HB ALA 49 -6.721 -3.360 -4.184 554 3HB ALA 49 1HB ALA 49 -5.536 -2.090 -4.457 555 QB ALA 49 QB ALA 49 -5.852 -3.047 -4.604 556 H SER 50 HN SER 50 -4.320 -5.817 -4.203 557 HA SER 50 HA SER 50 -6.321 -7.461 -2.989 558 1HB SER 50 2HB SER 50 -5.292 -9.292 -4.149 559 2HB SER 50 3HB SER 50 -5.318 -7.877 -5.216 560 HG SER 50 HG SER 50 -3.058 -7.554 -4.473 561 QB SER 50 QB SER 50 -5.305 -8.585 -4.683 562 H ALA 51 HN ALA 51 -2.822 -7.097 -2.346 563 HA ALA 51 HA ALA 51 -2.465 -9.039 -0.387 564 1HB ALA 51 1HB ALA 51 -1.181 -6.294 -0.665 565 2HB ALA 51 2HB ALA 51 -0.575 -7.569 0.375 566 3HB ALA 51 3HB ALA 51 -0.606 -7.812 -1.386 567 QB ALA 51 QB ALA 51 -0.787 -7.225 -0.558 568 H LEU 52 HN LEU 52 -3.457 -5.618 0.056 569 HA LEU 52 HA LEU 52 -3.831 -5.929 2.946 570 1HB LEU 52 2HB LEU 52 -4.522 -3.783 0.895 571 2HB LEU 52 3HB LEU 52 -4.986 -3.644 2.591 572 HG LEU 52 HG LEU 52 -2.126 -4.035 1.653 573 1HD1 LEU 52 2HD1 LEU 52 -3.170 -1.853 0.935 574 2HD1 LEU 52 3HD1 LEU 52 -3.371 -1.443 2.641 575 3HD1 LEU 52 1HD1 LEU 52 -1.752 -1.699 1.978 576 1HD2 LEU 52 1HD2 LEU 52 -3.492 -3.870 4.333 577 2HD2 LEU 52 2HD2 LEU 52 -2.058 -4.755 3.852 578 3HD2 LEU 52 3HD2 LEU 52 -1.960 -3.005 4.175 579 QB LEU 52 QB LEU 52 -4.754 -3.714 1.743 580 QD1 LEU 52 QD1 LEU 52 -2.764 -1.665 1.851 581 QD2 LEU 52 QD2 LEU 52 -2.504 -3.876 4.120 582 QQD LEU 52 QQD LEU 52 -2.634 -2.770 2.985 583 H GLY 53 HN GLY 53 -5.884 -5.910 0.049 584 1HA GLY 53 1HA GLY 53 -7.981 -6.887 -0.213 585 2HA GLY 53 2HA GLY 53 -8.177 -7.053 1.542 586 QA GLY 53 QA GLY 53 -8.079 -6.970 0.665 587 H VAL 54 HN VAL 54 -7.648 -4.552 -0.964 588 HA VAL 54 HA VAL 54 -10.016 -3.057 -0.094 589 HB VAL 54 HB VAL 54 -8.867 -0.878 -0.216 590 1HG1 VAL 54 2HG1 VAL 54 -9.179 -1.985 1.979 591 2HG1 VAL 54 3HG1 VAL 54 -7.545 -2.670 1.807 592 3HG1 VAL 54 1HG1 VAL 54 -7.770 -0.909 1.923 593 1HG2 VAL 54 2HG2 VAL 54 -6.327 -2.545 -0.418 594 2HG2 VAL 54 3HG2 VAL 54 -6.956 -1.408 -1.644 595 3HG2 VAL 54 1HG2 VAL 54 -6.355 -0.822 -0.088 596 QG1 VAL 54 QG1 VAL 54 -8.165 -1.855 1.903 597 QG2 VAL 54 QG2 VAL 54 -6.546 -1.592 -0.716 598 QQG VAL 54 QQG VAL 54 -7.355 -1.723 0.593 599 H SER 55 HN SER 55 -10.335 -1.203 -1.793 600 HA SER 55 HA SER 55 -10.350 -2.480 -4.400 601 1HB SER 55 2HB SER 55 -11.974 -0.318 -4.524 602 2HB SER 55 3HB SER 55 -12.446 -1.865 -3.799 603 HG SER 55 HG SER 55 -12.912 -0.091 -2.460 604 QB SER 55 QB SER 55 -12.209 -1.091 -4.161 605 H VAL 56 HN VAL 56 -9.530 -1.565 -6.267 606 HA VAL 56 HA VAL 56 -7.153 0.005 -5.994 607 HB VAL 56 HB VAL 56 -8.827 -0.843 -8.388 608 1HG1 VAL 56 3HG1 VAL 56 -6.106 0.489 -8.296 609 2HG1 VAL 56 1HG1 VAL 56 -6.819 -0.246 -9.753 610 3HG1 VAL 56 2HG1 VAL 56 -7.569 1.180 -9.024 611 1HG2 VAL 56 2HG2 VAL 56 -7.346 -2.483 -6.812 612 2HG2 VAL 56 3HG2 VAL 56 -7.417 -2.676 -8.570 613 3HG2 VAL 56 1HG2 VAL 56 -6.044 -1.843 -7.820 614 QG1 VAL 56 QG1 VAL 56 -6.831 0.475 -9.025 615 QG2 VAL 56 QG2 VAL 56 -6.936 -2.333 -7.734 616 QQG VAL 56 QQG VAL 56 -6.884 -0.930 -8.379 617 H ASP 57 HN ASP 57 -10.466 0.810 -7.116 618 HA ASP 57 HA ASP 57 -10.114 3.538 -7.771 619 1HB ASP 57 2HB ASP 57 -12.555 3.634 -6.985 620 2HB ASP 57 3HB ASP 57 -12.176 2.499 -8.289 621 QB ASP 57 QB ASP 57 -12.366 3.066 -7.637 622 CH2 TRP 58 CH2 TRP 58 -7.020 2.378 1.987 623 H TRP 58 HN TRP 58 -10.582 1.907 -4.605 624 HA TRP 58 HA TRP 58 -10.681 4.430 -3.144 625 1HB TRP 58 2HB TRP 58 -11.704 2.498 -2.164 626 2HB TRP 58 3HB TRP 58 -10.192 1.597 -2.219 627 HD1 TRP 58 HD1 TRP 58 -11.941 4.290 -0.172 628 HE1 TRP 58 HE1 TRP 58 -10.674 4.633 2.026 629 HE3 TRP 58 HE3 TRP 58 -7.853 1.409 -1.174 630 HZ2 TRP 58 HZ2 TRP 58 -8.095 3.803 3.178 631 HZ3 TRP 58 HZ3 TRP 58 -5.998 1.247 0.486 632 HH2 TRP 58 HH2 TRP 58 -6.176 2.312 2.656 633 QB TRP 58 QB TRP 58 -10.949 2.047 -2.192 634 H LEU 59 HN LEU 59 -8.104 2.130 -4.103 635 HA LEU 59 HA LEU 59 -6.081 3.733 -2.808 636 1HB LEU 59 2HB LEU 59 -6.132 1.446 -4.728 637 2HB LEU 59 3HB LEU 59 -4.695 2.406 -4.701 638 HG LEU 59 HG LEU 59 -5.912 0.877 -2.396 639 1HD1 LEU 59 1HD1 LEU 59 -4.551 -0.219 -4.302 640 2HD1 LEU 59 2HD1 LEU 59 -3.154 0.601 -3.608 641 3HD1 LEU 59 3HD1 LEU 59 -4.086 -0.573 -2.630 642 1HD2 LEU 59 1HD2 LEU 59 -3.544 2.800 -2.407 643 2HD2 LEU 59 2HD2 LEU 59 -4.915 2.782 -1.274 644 3HD2 LEU 59 3HD2 LEU 59 -3.703 1.509 -1.202 645 QB LEU 59 QB LEU 59 -5.413 1.926 -4.715 646 QD1 LEU 59 QD1 LEU 59 -3.931 -0.063 -3.514 647 QD2 LEU 59 QD2 LEU 59 -4.053 2.363 -1.628 648 QQD LEU 59 QQD LEU 59 -3.992 1.150 -2.570 649 H LEU 60 HN LEU 60 -7.811 4.322 -5.745 650 HA LEU 60 HA LEU 60 -5.802 6.285 -6.683 651 1HB LEU 60 2HB LEU 60 -8.510 5.467 -7.763 652 2HB LEU 60 3HB LEU 60 -7.479 6.691 -8.504 653 HG LEU 60 HG LEU 60 -6.514 3.846 -8.042 654 1HD1 LEU 60 3HD1 LEU 60 -7.917 5.004 -10.480 655 2HD1 LEU 60 1HD1 LEU 60 -7.106 3.423 -10.416 656 3HD1 LEU 60 2HD1 LEU 60 -8.530 3.726 -9.417 657 1HD2 LEU 60 3HD2 LEU 60 -4.764 5.612 -8.530 658 2HD2 LEU 60 1HD2 LEU 60 -4.882 4.356 -9.764 659 3HD2 LEU 60 2HD2 LEU 60 -5.608 5.947 -10.053 660 QB LEU 60 QB LEU 60 -7.994 6.080 -8.134 661 QD1 LEU 60 QD1 LEU 60 -7.851 4.051 -10.105 662 QD2 LEU 60 QD2 LEU 60 -5.084 5.305 -9.449 663 QQD LEU 60 QQD LEU 60 -6.468 4.678 -9.777 664 H ASN 61 HN ASN 61 -9.284 6.450 -5.788 665 HA ASN 61 HA ASN 61 -9.035 9.318 -5.170 666 1HB ASN 61 2HB ASN 61 -11.392 9.232 -4.518 667 2HB ASN 61 3HB ASN 61 -11.077 8.816 -6.202 668 1HD2 ASN 61 2HD2 ASN 61 -12.658 5.676 -5.945 669 2HD2 ASN 61 1HD2 ASN 61 -11.948 6.901 -6.980 670 QB ASN 61 QB ASN 61 -11.234 9.024 -5.359 671 QD2 ASN 61 QD2 ASN 61 -12.303 6.289 -6.462 672 H GLY 62 HN GLY 62 -10.025 6.413 -3.165 673 1HA GLY 62 1HA GLY 62 -9.566 6.012 -0.943 674 2HA GLY 62 2HA GLY 62 -8.288 7.215 -1.063 675 QA GLY 62 QA GLY 62 -8.928 6.614 -1.003 676 H THR 63 HN THR 63 -11.419 6.510 0.025 677 HA THR 63 HA THR 63 -12.804 7.517 1.493 678 HB THR 63 HB THR 63 -11.906 9.070 3.085 679 HG1 THR 63 1HG THR 63 -10.255 9.849 1.357 680 1HG2 THR 63 3HG2 THR 63 -11.471 6.618 3.382 681 2HG2 THR 63 1HG2 THR 63 -9.977 6.767 2.422 682 3HG2 THR 63 2HG2 THR 63 -10.084 7.556 3.990 683 QG2 THR 63 QG2 THR 63 -10.511 6.980 3.265 684 H SER 64 HN SER 64 -14.173 8.204 -0.071 685 HA SER 64 HA SER 64 -14.089 11.050 -0.913 686 1HB SER 64 2HB SER 64 -13.507 9.232 -2.717 687 2HB SER 64 3HB SER 64 -15.231 8.816 -2.630 688 HG SER 64 HG SER 64 -14.307 11.475 -3.054 689 QB SER 64 QB SER 64 -14.369 9.024 -2.673 690 H ASP 65 HN ASP 65 -16.029 12.053 -0.595 691 HA ASP 65 HA ASP 65 -17.870 12.508 0.621 692 1HB ASP 65 2HB ASP 65 -19.916 11.672 -0.441 693 2HB ASP 65 3HB ASP 65 -18.720 12.375 -1.535 694 QB ASP 65 QB ASP 65 -19.318 12.023 -0.988 695 H SER 66 HN SER 66 -17.381 11.957 2.631 696 HA SER 66 HA SER 66 -17.762 11.116 4.686 697 1HB SER 66 2HB SER 66 -19.626 9.005 3.508 698 2HB SER 66 3HB SER 66 -19.480 9.493 5.191 699 HG SER 66 HG SER 66 -20.087 11.670 4.407 700 QB SER 66 QB SER 66 -19.553 9.249 4.350 701 H ASN 67 HN ASN 67 -17.151 9.172 6.002 702 HA ASN 67 HA ASN 67 -15.929 7.372 6.511 703 1HB ASN 67 2HB ASN 67 -17.268 6.544 4.334 704 2HB ASN 67 3HB ASN 67 -15.644 6.414 3.662 705 1HD2 ASN 67 2HD2 ASN 67 -16.939 3.376 5.747 706 2HD2 ASN 67 1HD2 ASN 67 -17.847 4.471 4.715 707 QB ASN 67 QB ASN 67 -16.456 6.479 3.998 708 QD2 ASN 67 QD2 ASN 67 -17.393 3.924 5.230 709 H VAL 68 HN VAL 68 -13.896 8.068 7.246 710 HA VAL 68 HA VAL 68 -11.752 8.314 5.281 711 HB VAL 68 HB VAL 68 -12.806 10.496 5.218 712 1HG1 VAL 68 1HG1 VAL 68 -13.498 10.475 7.734 713 2HG1 VAL 68 2HG1 VAL 68 -11.865 11.107 8.020 714 3HG1 VAL 68 3HG1 VAL 68 -12.984 11.998 6.983 715 1HG2 VAL 68 2HG2 VAL 68 -10.418 10.298 4.743 716 2HG2 VAL 68 3HG2 VAL 68 -10.770 11.834 5.546 717 3HG2 VAL 68 1HG2 VAL 68 -10.028 10.507 6.458 718 QG1 VAL 68 QG1 VAL 68 -12.783 11.193 7.579 719 QG2 VAL 68 QG2 VAL 68 -10.405 10.880 5.582 720 QQG VAL 68 QQG VAL 68 -11.594 11.036 6.581 721 NH1 ARG 69 NH2 ARG 69 -8.014 10.084 10.457 722 NH2 ARG 69 NH1 ARG 69 -8.026 9.280 12.626 723 H ARG 69 HN ARG 69 -10.576 6.728 6.102 724 HA ARG 69 HA ARG 69 -9.008 5.733 7.355 725 1HB ARG 69 2HB ARG 69 -8.145 8.167 7.484 726 2HB ARG 69 3HB ARG 69 -8.896 8.186 9.089 727 1HG ARG 69 2HG ARG 69 -7.449 6.071 9.581 728 2HG ARG 69 3HG ARG 69 -6.625 6.443 8.069 729 1HD ARG 69 2HD ARG 69 -5.309 7.396 9.773 730 2HD ARG 69 3HD ARG 69 -6.120 8.771 9.047 731 HE ARG 69 HE ARG 69 -6.581 7.473 11.696 732 1HH1 ARG 69 2HH2 ARG 69 -7.772 9.942 9.489 733 2HH1 ARG 69 1HH2 ARG 69 -8.677 10.807 10.687 734 1HH2 ARG 69 2HH1 ARG 69 -7.762 8.583 13.306 735 2HH2 ARG 69 1HH1 ARG 69 -8.651 10.017 12.914 736 QB ARG 69 QB ARG 69 -8.521 8.177 8.286 737 QG ARG 69 QG ARG 69 -7.037 6.257 8.825 738 QD ARG 69 QD ARG 69 -5.714 8.084 9.410 739 QH1 ARG 69 QH2 ARG 69 -8.224 10.375 10.088 740 QH2 ARG 69 QH1 ARG 69 -8.206 9.300 13.110 Start of MODEL 16 Raw file had 740 H/Q atoms Start of MODEL 16 1 H SER 1 HN SER 1 -4.772 10.484 2.591 2 HA SER 1 HA SER 1 -3.078 11.206 0.881 3 1HB SER 1 2HB SER 1 -1.318 11.989 2.330 4 2HB SER 1 3HB SER 1 -1.269 10.455 3.209 5 HG SER 1 HG SER 1 0.404 10.409 1.799 6 QB SER 1 QB SER 1 -1.293 11.222 2.770 7 H ILE 2 HN ILE 2 -1.436 9.278 0.045 8 HA ILE 2 HA ILE 2 -3.107 6.846 -0.175 9 HB ILE 2 HB ILE 2 -0.245 7.337 -1.071 10 1HG1 ILE 2 2HG1 ILE 2 -2.109 7.092 -3.261 11 2HG1 ILE 2 3HG1 ILE 2 -2.789 8.285 -2.161 12 1HG2 ILE 2 2HG2 ILE 2 -2.221 5.096 -1.667 13 2HG2 ILE 2 3HG2 ILE 2 -0.702 5.356 -2.539 14 3HG2 ILE 2 1HG2 ILE 2 -0.668 4.962 -0.823 15 1HD1 ILE 2 1HD1 ILE 2 -0.614 9.520 -2.164 16 2HD1 ILE 2 2HD1 ILE 2 0.057 8.311 -3.283 17 3HD1 ILE 2 3HD1 ILE 2 -1.284 9.353 -3.799 18 QG1 ILE 2 QG1 ILE 2 -2.448 7.689 -2.711 19 QG2 ILE 2 QG2 ILE 2 -1.197 5.138 -1.676 20 QD1 ILE 2 QD1 ILE 2 -0.614 9.062 -3.082 21 H SER 3 HN SER 3 -0.168 8.058 1.444 22 HA SER 3 HA SER 3 0.612 5.715 2.695 23 1HB SER 3 2HB SER 3 1.714 7.296 4.350 24 2HB SER 3 3HB SER 3 1.984 7.756 2.670 25 HG SER 3 HG SER 3 0.962 9.263 4.516 26 QB SER 3 QB SER 3 1.848 7.526 3.510 27 H SER 4 HN SER 4 -1.423 8.308 4.032 28 HA SER 4 HA SER 4 -1.932 7.077 6.473 29 1HB SER 4 2HB SER 4 -3.848 8.548 6.753 30 2HB SER 4 3HB SER 4 -2.443 9.400 6.093 31 HG SER 4 HG SER 4 -4.843 8.637 4.828 32 QB SER 4 QB SER 4 -3.146 8.974 6.423 33 NH1 ARG 5 NH2 ARG 5 -6.054 9.302 0.495 34 NH2 ARG 5 NH1 ARG 5 -8.136 9.537 -0.432 35 H ARG 5 HN ARG 5 -3.881 6.737 3.479 36 HA ARG 5 HA ARG 5 -5.850 4.913 4.431 37 1HB ARG 5 2HB ARG 5 -4.528 4.934 1.696 38 2HB ARG 5 3HB ARG 5 -6.005 4.195 2.069 39 1HG ARG 5 2HG ARG 5 -7.269 6.083 2.293 40 2HG ARG 5 3HG ARG 5 -5.877 7.158 2.446 41 1HD ARG 5 2HD ARG 5 -5.254 6.711 0.063 42 2HD ARG 5 3HD ARG 5 -6.477 5.471 -0.043 43 HE ARG 5 HE ARG 5 -7.909 7.001 -0.732 44 1HH1 ARG 5 2HH2 ARG 5 -5.337 8.686 0.877 45 2HH1 ARG 5 1HH2 ARG 5 -5.898 10.290 0.383 46 1HH2 ARG 5 2HH1 ARG 5 -9.023 9.148 -0.714 47 2HH2 ARG 5 1HH1 ARG 5 -8.050 10.543 -0.423 48 QB ARG 5 QB ARG 5 -5.266 4.565 1.883 49 QG ARG 5 QG ARG 5 -6.573 6.621 2.370 50 QD ARG 5 QD ARG 5 -5.865 6.091 0.010 51 QH1 ARG 5 QH2 ARG 5 -5.618 9.488 0.630 52 QH2 ARG 5 QH1 ARG 5 -8.536 9.845 -0.569 53 H VAL 6 HN VAL 6 -2.726 4.190 2.765 54 HA VAL 6 HA VAL 6 -2.917 1.389 2.964 55 HB VAL 6 HB VAL 6 -0.591 3.315 2.712 56 1HG1 VAL 6 1HG1 VAL 6 -0.308 0.504 3.313 57 2HG1 VAL 6 2HG1 VAL 6 0.195 0.795 1.643 58 3HG1 VAL 6 3HG1 VAL 6 0.913 1.746 2.929 59 1HG2 VAL 6 3HG2 VAL 6 -2.267 3.175 0.825 60 2HG2 VAL 6 1HG2 VAL 6 -0.636 2.668 0.366 61 3HG2 VAL 6 2HG2 VAL 6 -1.891 1.455 0.681 62 QG1 VAL 6 QG1 VAL 6 0.267 1.015 2.628 63 QG2 VAL 6 QG2 VAL 6 -1.598 2.433 0.624 64 QQG VAL 6 QQG VAL 6 -0.666 1.724 1.626 65 H LYS 7 HN LYS 7 -1.464 3.726 5.230 66 HA LYS 7 HA LYS 7 -0.355 1.774 6.961 67 1HB LYS 7 2HB LYS 7 0.278 4.198 6.582 68 2HB LYS 7 3HB LYS 7 -1.017 4.662 7.673 69 1HG LYS 7 2HG LYS 7 0.941 2.587 8.639 70 2HG LYS 7 3HG LYS 7 1.610 4.184 8.299 71 1HD LYS 7 2HD LYS 7 -0.070 5.258 9.760 72 2HD LYS 7 3HD LYS 7 -0.715 3.684 10.208 73 1HE LYS 7 2HE LYS 7 2.120 4.750 10.715 74 2HE LYS 7 3HE LYS 7 0.840 4.587 11.920 75 1HZ LYS 7 1HZ LYS 7 1.183 2.102 10.768 76 2HZ LYS 7 2HZ LYS 7 2.693 2.674 11.097 77 3HZ LYS 7 3HZ LYS 7 1.571 2.571 12.292 78 QB LYS 7 QB LYS 7 -0.369 4.431 7.127 79 QG LYS 7 QG LYS 7 1.275 3.385 8.469 80 QD LYS 7 QD LYS 7 -0.393 4.470 9.984 81 QE LYS 7 QE LYS 7 1.479 4.668 11.318 82 QZ LYS 7 QZ LYS 7 1.816 2.449 11.386 83 H SER 8 HN SER 8 -3.470 3.691 7.152 84 HA SER 8 HA SER 8 -4.297 2.612 9.666 85 1HB SER 8 2HB SER 8 -6.619 3.075 8.805 86 2HB SER 8 3HB SER 8 -5.558 4.477 8.959 87 HG SER 8 HG SER 8 -6.832 4.391 7.060 88 QB SER 8 QB SER 8 -6.088 3.776 8.882 89 H LYS 9 HN LYS 9 -4.853 1.541 6.295 90 HA LYS 9 HA LYS 9 -6.292 -0.798 6.995 91 1HB LYS 9 2HB LYS 9 -6.062 0.209 4.697 92 2HB LYS 9 3HB LYS 9 -4.428 -0.443 4.654 93 1HG LYS 9 2HG LYS 9 -5.620 -2.109 3.587 94 2HG LYS 9 3HG LYS 9 -5.638 -2.735 5.247 95 1HD LYS 9 2HD LYS 9 -7.909 -1.458 5.408 96 2HD LYS 9 3HD LYS 9 -7.826 -1.396 3.662 97 1HE LYS 9 2HE LYS 9 -7.530 -3.942 3.634 98 2HE LYS 9 3HE LYS 9 -7.669 -3.923 5.399 99 1HZ LYS 9 3HZ LYS 9 -9.874 -3.111 5.207 100 2HZ LYS 9 1HZ LYS 9 -9.810 -3.206 3.529 101 3HZ LYS 9 2HZ LYS 9 -9.694 -4.551 4.446 102 QB LYS 9 QB LYS 9 -5.246 -0.117 4.675 103 QG LYS 9 QG LYS 9 -5.629 -2.422 4.416 104 QD LYS 9 QD LYS 9 -7.868 -1.428 4.535 105 QE LYS 9 QE LYS 9 -7.600 -3.932 4.516 106 QZ LYS 9 QZ LYS 9 -9.793 -3.623 4.394 107 NH1 ARG 10 NH2 ARG 10 1.867 -1.181 3.700 108 NH2 ARG 10 NH1 ARG 10 2.449 0.825 4.670 109 H ARG 10 HN ARG 10 -2.735 -0.304 6.672 110 HA ARG 10 HA ARG 10 -1.905 -2.909 7.206 111 1HB ARG 10 2HB ARG 10 -0.563 -0.665 6.748 112 2HB ARG 10 3HB ARG 10 -0.460 -0.584 8.507 113 1HG ARG 10 2HG ARG 10 1.317 -1.964 8.419 114 2HG ARG 10 3HG ARG 10 0.232 -3.256 7.883 115 1HD ARG 10 2HD ARG 10 1.963 -3.079 6.226 116 2HD ARG 10 3HD ARG 10 0.458 -2.429 5.559 117 HE ARG 10 HE ARG 10 2.364 -0.506 6.793 118 1HH1 ARG 10 2HH2 ARG 10 1.631 -2.157 3.793 119 2HH1 ARG 10 1HH2 ARG 10 1.953 -0.770 2.780 120 1HH2 ARG 10 2HH1 ARG 10 2.495 1.536 5.399 121 2HH2 ARG 10 1HH1 ARG 10 2.870 1.196 3.812 122 QB ARG 10 QB ARG 10 -0.512 -0.624 7.627 123 QG ARG 10 QG ARG 10 0.775 -2.610 8.151 124 QD ARG 10 QD ARG 10 1.210 -2.753 5.893 125 QH1 ARG 10 QH2 ARG 10 1.791 -1.464 3.287 126 QH2 ARG 10 QH1 ARG 10 2.683 1.366 4.606 127 H ILE 11 HN ILE 11 -2.717 -0.317 9.538 128 HA ILE 11 HA ILE 11 -2.335 -1.806 11.928 129 HB ILE 11 HB ILE 11 -3.877 0.674 11.192 130 1HG1 ILE 11 2HG1 ILE 11 -2.690 1.408 13.315 131 2HG1 ILE 11 3HG1 ILE 11 -1.793 -0.118 13.274 132 1HG2 ILE 11 3HG2 ILE 11 -4.399 -0.826 13.785 133 2HG2 ILE 11 1HG2 ILE 11 -4.812 0.872 13.482 134 3HG2 ILE 11 2HG2 ILE 11 -5.599 -0.375 12.548 135 1HD1 ILE 11 1HD1 ILE 11 -1.897 2.028 11.119 136 2HD1 ILE 11 2HD1 ILE 11 -0.569 1.766 12.259 137 3HD1 ILE 11 3HD1 ILE 11 -0.912 0.547 11.016 138 QG1 ILE 11 QG1 ILE 11 -2.242 0.645 13.295 139 QG2 ILE 11 QG2 ILE 11 -4.937 -0.110 13.272 140 QD1 ILE 11 QD1 ILE 11 -1.126 1.447 11.465 141 H GLN 12 HN GLN 12 -5.405 -1.286 10.138 142 HA GLN 12 HA GLN 12 -6.838 -3.014 11.835 143 1HB GLN 12 2HB GLN 12 -8.670 -2.765 10.555 144 2HB GLN 12 3HB GLN 12 -7.713 -1.387 10.018 145 1HG GLN 12 2HG GLN 12 -6.959 -2.939 8.078 146 2HG GLN 12 3HG GLN 12 -8.198 -4.069 8.621 147 1HE2 GLN 12 2HE2 GLN 12 -9.392 -0.451 6.982 148 2HE2 GLN 12 1HE2 GLN 12 -8.188 -0.450 8.260 149 QB GLN 12 QB GLN 12 -8.192 -2.076 10.286 150 QG GLN 12 QG GLN 12 -7.579 -3.504 8.349 151 QE2 GLN 12 QE2 GLN 12 -8.790 -0.451 7.621 152 H LEU 13 HN LEU 13 -4.920 -3.877 9.001 153 HA LEU 13 HA LEU 13 -5.507 -6.736 9.073 154 1HB LEU 13 2HB LEU 13 -3.571 -4.875 7.714 155 2HB LEU 13 3HB LEU 13 -3.047 -6.526 7.893 156 HG LEU 13 HG LEU 13 -4.291 -5.757 5.739 157 1HD1 LEU 13 2HD1 LEU 13 -4.837 -8.388 7.153 158 2HD1 LEU 13 3HD1 LEU 13 -5.109 -8.079 5.419 159 3HD1 LEU 13 1HD1 LEU 13 -3.469 -7.990 6.087 160 1HD2 LEU 13 3HD2 LEU 13 -6.343 -4.946 6.971 161 2HD2 LEU 13 1HD2 LEU 13 -6.647 -6.086 5.649 162 3HD2 LEU 13 2HD2 LEU 13 -6.745 -6.643 7.309 163 QB LEU 13 QB LEU 13 -3.309 -5.701 7.803 164 QD1 LEU 13 QD1 LEU 13 -4.472 -8.152 6.219 165 QD2 LEU 13 QD2 LEU 13 -6.578 -5.891 6.643 166 QQD LEU 13 QQD LEU 13 -5.525 -7.022 6.431 167 H GLY 14 HN GLY 14 -3.264 -4.636 10.806 168 1HA GLY 14 1HA GLY 14 -2.080 -5.064 12.713 169 2HA GLY 14 2HA GLY 14 -2.723 -6.715 12.755 170 QA GLY 14 QA GLY 14 -2.402 -5.890 12.735 171 H LEU 15 HN LEU 15 -1.019 -5.219 10.013 172 HA LEU 15 HA LEU 15 1.299 -7.097 10.415 173 1HB LEU 15 2HB LEU 15 0.124 -6.157 7.767 174 2HB LEU 15 3HB LEU 15 1.516 -7.222 7.993 175 HG LEU 15 HG LEU 15 -1.397 -7.855 8.587 176 1HD1 LEU 15 3HD1 LEU 15 -0.650 -7.992 6.225 177 2HD1 LEU 15 1HD1 LEU 15 0.648 -9.099 6.709 178 3HD1 LEU 15 2HD1 LEU 15 -1.046 -9.586 6.882 179 1HD2 LEU 15 1HD2 LEU 15 1.098 -9.358 9.416 180 2HD2 LEU 15 2HD2 LEU 15 -0.363 -8.988 10.357 181 3HD2 LEU 15 3HD2 LEU 15 -0.430 -10.206 9.087 182 QB LEU 15 QB LEU 15 0.820 -6.690 7.881 183 QD1 LEU 15 QD1 LEU 15 -0.350 -8.892 6.606 184 QD2 LEU 15 QD2 LEU 15 0.101 -9.517 9.620 185 QQD LEU 15 QQD LEU 15 -0.124 -9.205 8.113 186 H ASN 16 HN ASN 16 3.222 -6.244 9.098 187 HA ASN 16 HA ASN 16 3.389 -3.238 9.389 188 1HB ASN 16 2HB ASN 16 5.792 -3.513 9.737 189 2HB ASN 16 3HB ASN 16 4.847 -4.401 10.949 190 1HD2 ASN 16 2HD2 ASN 16 6.941 -7.125 10.211 191 2HD2 ASN 16 1HD2 ASN 16 7.013 -5.637 11.180 192 QB ASN 16 QB ASN 16 5.319 -3.957 10.344 193 QD2 ASN 16 QD2 ASN 16 6.977 -6.381 10.696 194 H GLN 17 HN GLN 17 5.179 -2.344 7.968 195 HA GLN 17 HA GLN 17 4.401 -2.571 5.236 196 1HB GLN 17 2HB GLN 17 6.599 -1.227 6.781 197 2HB GLN 17 3HB GLN 17 6.724 -1.332 5.002 198 1HG GLN 17 2HG GLN 17 4.735 -0.103 4.760 199 2HG GLN 17 3HG GLN 17 4.427 -0.092 6.525 200 1HE2 GLN 17 2HE2 GLN 17 6.613 2.878 5.032 201 2HE2 GLN 17 1HE2 GLN 17 5.367 2.018 4.145 202 QB GLN 17 QB GLN 17 6.661 -1.279 5.891 203 QG GLN 17 QG GLN 17 4.581 -0.097 5.642 204 QE2 GLN 17 QE2 GLN 17 5.990 2.448 4.589 205 H ALA 18 HN ALA 18 6.993 -4.213 7.066 206 HA ALA 18 HA ALA 18 8.377 -5.291 4.856 207 1HB ALA 18 1HB ALA 18 8.115 -6.295 7.716 208 2HB ALA 18 2HB ALA 18 9.299 -6.881 6.536 209 3HB ALA 18 3HB ALA 18 9.344 -5.191 7.075 210 QB ALA 18 QB ALA 18 8.920 -6.122 7.109 211 H GLU 19 HN GLU 19 5.958 -6.936 6.939 212 HA GLU 19 HA GLU 19 5.583 -9.312 5.479 213 1HB GLU 19 2HB GLU 19 3.746 -7.647 7.196 214 2HB GLU 19 3HB GLU 19 3.223 -9.152 6.456 215 1HG GLU 19 2HG GLU 19 4.226 -10.408 8.013 216 2HG GLU 19 3HG GLU 19 5.781 -9.637 7.729 217 QB GLU 19 QB GLU 19 3.485 -8.399 6.826 218 QG GLU 19 QG GLU 19 5.003 -10.022 7.871 219 H LEU 20 HN LEU 20 3.987 -6.060 5.173 220 HA LEU 20 HA LEU 20 2.401 -7.069 3.076 221 1HB LEU 20 2HB LEU 20 2.256 -4.834 4.562 222 2HB LEU 20 3HB LEU 20 2.918 -4.116 3.104 223 HG LEU 20 HG LEU 20 0.770 -6.065 2.436 224 1HD1 LEU 20 2HD1 LEU 20 0.152 -5.348 4.853 225 2HD1 LEU 20 3HD1 LEU 20 -0.254 -3.804 4.067 226 3HD1 LEU 20 1HD1 LEU 20 -1.039 -5.330 3.561 227 1HD2 LEU 20 2HD2 LEU 20 1.676 -4.281 1.009 228 2HD2 LEU 20 3HD2 LEU 20 -0.090 -4.339 1.116 229 3HD2 LEU 20 1HD2 LEU 20 0.810 -3.081 1.996 230 QB LEU 20 QB LEU 20 2.587 -4.475 3.832 231 QD1 LEU 20 QD1 LEU 20 -0.380 -4.827 4.160 232 QD2 LEU 20 QD2 LEU 20 0.798 -3.900 1.374 233 QQD LEU 20 QQD LEU 20 0.210 -4.363 2.767 234 H ALA 21 HN ALA 21 5.543 -5.455 3.023 235 HA ALA 21 HA ALA 21 5.866 -5.090 0.259 236 1HB ALA 21 3HB ALA 21 7.429 -4.272 2.037 237 2HB ALA 21 1HB ALA 21 8.032 -5.923 2.235 238 3HB ALA 21 2HB ALA 21 8.229 -5.084 0.695 239 QB ALA 21 QB ALA 21 7.896 -5.093 1.656 240 H GLN 22 HN GLN 22 6.620 -7.999 2.287 241 HA GLN 22 HA GLN 22 7.346 -9.535 -0.054 242 1HB GLN 22 2HB GLN 22 7.250 -11.531 1.265 243 2HB GLN 22 3HB GLN 22 8.157 -10.266 2.102 244 1HG GLN 22 2HG GLN 22 6.400 -9.866 3.615 245 2HG GLN 22 3HG GLN 22 5.229 -10.843 2.701 246 1HE2 GLN 22 2HE2 GLN 22 7.562 -12.699 5.416 247 2HE2 GLN 22 1HE2 GLN 22 7.759 -10.980 5.122 248 QB GLN 22 QB GLN 22 7.704 -10.898 1.684 249 QG GLN 22 QG GLN 22 5.814 -10.354 3.158 250 QE2 GLN 22 QE2 GLN 22 7.660 -11.839 5.269 251 H LYS 23 HN LYS 23 4.212 -9.023 1.593 252 HA LYS 23 HA LYS 23 2.763 -10.999 0.138 253 1HB LYS 23 2HB LYS 23 1.808 -8.384 1.336 254 2HB LYS 23 3HB LYS 23 0.748 -9.645 0.729 255 1HG LYS 23 2HG LYS 23 2.773 -10.688 2.611 256 2HG LYS 23 3HG LYS 23 1.805 -9.433 3.341 257 1HD LYS 23 2HD LYS 23 0.261 -11.522 1.814 258 2HD LYS 23 3HD LYS 23 1.203 -12.120 3.162 259 1HE LYS 23 2HE LYS 23 -0.344 -11.523 4.618 260 2HE LYS 23 3HE LYS 23 -0.110 -9.821 4.237 261 1HZ LYS 23 1HZ LYS 23 -1.963 -11.590 2.798 262 2HZ LYS 23 2HZ LYS 23 -2.375 -10.558 4.000 263 3HZ LYS 23 3HZ LYS 23 -1.813 -9.955 2.587 264 QB LYS 23 QB LYS 23 1.278 -9.014 1.033 265 QG LYS 23 QG LYS 23 2.289 -10.061 2.977 266 QD LYS 23 QD LYS 23 0.732 -11.821 2.488 267 QE LYS 23 QE LYS 23 -0.227 -10.672 4.427 268 QZ LYS 23 QZ LYS 23 -2.050 -10.701 3.129 269 H VAL 24 HN VAL 24 3.554 -7.612 -0.691 270 HA VAL 24 HA VAL 24 2.212 -7.740 -3.285 271 HB VAL 24 HB VAL 24 4.367 -5.892 -2.164 272 1HG1 VAL 24 3HG1 VAL 24 2.782 -5.683 -4.754 273 2HG1 VAL 24 1HG1 VAL 24 3.847 -4.425 -4.087 274 3HG1 VAL 24 2HG1 VAL 24 4.526 -5.956 -4.658 275 1HG2 VAL 24 3HG2 VAL 24 1.365 -5.707 -2.587 276 2HG2 VAL 24 1HG2 VAL 24 2.223 -5.592 -1.046 277 3HG2 VAL 24 2HG2 VAL 24 2.391 -4.300 -2.248 278 QG1 VAL 24 QG1 VAL 24 3.718 -5.355 -4.500 279 QG2 VAL 24 QG2 VAL 24 1.994 -5.200 -1.961 280 QQG VAL 24 QQG VAL 24 2.856 -5.277 -3.229 281 H GLY 25 HN GLY 25 5.493 -8.385 -2.075 282 1HA GLY 25 1HA GLY 25 7.033 -9.879 -3.095 283 2HA GLY 25 2HA GLY 25 6.223 -9.711 -4.656 284 QA GLY 25 QA GLY 25 6.628 -9.795 -3.876 285 H THR 26 HN THR 26 7.265 -7.227 -2.276 286 HA THR 26 HA THR 26 9.548 -6.517 -3.937 287 HB THR 26 HB THR 26 7.998 -5.040 -4.932 288 HG1 THR 26 1HG THR 26 9.850 -4.039 -4.681 289 1HG2 THR 26 1HG2 THR 26 6.984 -4.551 -2.148 290 2HG2 THR 26 2HG2 THR 26 6.921 -3.217 -3.323 291 3HG2 THR 26 3HG2 THR 26 6.141 -4.752 -3.685 292 QG2 THR 26 QG2 THR 26 6.682 -4.174 -3.052 293 H THR 27 HN THR 27 10.451 -4.428 -2.571 294 HA THR 27 HA THR 27 11.028 -5.525 0.148 295 HB THR 27 HB THR 27 12.936 -3.678 -0.199 296 HG1 THR 27 1HG THR 27 11.957 -3.039 -2.253 297 1HG2 THR 27 1HG2 THR 27 13.091 -6.335 -0.162 298 2HG2 THR 27 2HG2 THR 27 13.336 -6.128 -1.905 299 3HG2 THR 27 3HG2 THR 27 14.431 -5.346 -0.752 300 QG2 THR 27 QG2 THR 27 13.619 -5.936 -0.940 301 H GLN 28 HN GLN 28 10.864 -4.217 1.940 302 HA GLN 28 HA GLN 28 8.816 -2.430 2.191 303 1HB GLN 28 2HB GLN 28 9.866 -3.488 4.068 304 2HB GLN 28 3HB GLN 28 11.382 -2.599 3.823 305 1HG GLN 28 2HG GLN 28 10.356 -0.506 4.447 306 2HG GLN 28 3HG GLN 28 8.742 -1.190 4.309 307 1HE2 GLN 28 2HE2 GLN 28 10.860 -1.653 7.776 308 2HE2 GLN 28 1HE2 GLN 28 11.600 -0.912 6.368 309 QB GLN 28 QB GLN 28 10.624 -3.044 3.946 310 QG GLN 28 QG GLN 28 9.549 -0.848 4.378 311 QE2 GLN 28 QE2 GLN 28 11.230 -1.283 7.072 312 H GLN 29 HN GLN 29 12.144 -1.572 1.196 313 HA GLN 29 HA GLN 29 12.053 1.185 1.385 314 1HB GLN 29 2HB GLN 29 13.692 1.223 -0.328 315 2HB GLN 29 3HB GLN 29 13.946 -0.251 0.613 316 1HG GLN 29 2HG GLN 29 12.850 -1.549 -1.175 317 2HG GLN 29 3HG GLN 29 12.669 -0.085 -2.155 318 1HE2 GLN 29 2HE2 GLN 29 16.014 0.176 -3.155 319 2HE2 GLN 29 1HE2 GLN 29 14.503 1.055 -2.940 320 QB GLN 29 QB GLN 29 13.819 0.487 0.143 321 QG GLN 29 QG GLN 29 12.760 -0.817 -1.665 322 QE2 GLN 29 QE2 GLN 29 15.259 0.616 -3.047 323 H SER 30 HN SER 30 10.690 -0.856 -1.179 324 HA SER 30 HA SER 30 9.845 1.304 -2.852 325 1HB SER 30 2HB SER 30 8.800 -1.551 -2.788 326 2HB SER 30 3HB SER 30 8.756 -0.412 -4.149 327 HG SER 30 HG SER 30 10.526 -1.826 -4.328 328 QB SER 30 QB SER 30 8.778 -0.982 -3.469 329 H ILE 31 HN ILE 31 8.344 -0.551 -0.233 330 HA ILE 31 HA ILE 31 5.683 0.536 -0.571 331 HB ILE 31 HB ILE 31 7.013 -0.670 1.886 332 1HG1 ILE 31 2HG1 ILE 31 7.124 -2.328 0.121 333 2HG1 ILE 31 3HG1 ILE 31 5.856 -2.743 1.270 334 1HG2 ILE 31 3HG2 ILE 31 4.132 -0.017 1.220 335 2HG2 ILE 31 1HG2 ILE 31 4.593 -1.213 2.461 336 3HG2 ILE 31 2HG2 ILE 31 5.139 0.462 2.598 337 1HD1 ILE 31 1HD1 ILE 31 4.173 -1.743 -0.320 338 2HD1 ILE 31 2HD1 ILE 31 5.476 -1.577 -1.516 339 3HD1 ILE 31 3HD1 ILE 31 5.003 -3.177 -0.931 340 QG1 ILE 31 QG1 ILE 31 6.491 -2.536 0.696 341 QG2 ILE 31 QG2 ILE 31 4.621 -0.256 2.093 342 QD1 ILE 31 QD1 ILE 31 4.884 -2.166 -0.923 343 H GLU 32 HN GLU 32 8.492 1.406 1.490 344 HA GLU 32 HA GLU 32 7.407 3.667 2.759 345 1HB GLU 32 2HB GLU 32 9.612 2.570 3.270 346 2HB GLU 32 3HB GLU 32 10.301 3.342 1.837 347 1HG GLU 32 2HG GLU 32 9.051 4.841 4.176 348 2HG GLU 32 3HG GLU 32 10.783 4.555 3.962 349 QB GLU 32 QB GLU 32 9.956 2.956 2.553 350 QG GLU 32 QG GLU 32 9.918 4.699 4.069 351 H GLN 33 HN GLN 33 9.404 3.580 -0.248 352 HA GLN 33 HA GLN 33 9.165 6.251 -0.828 353 1HB GLN 33 2HB GLN 33 10.105 5.834 -2.810 354 2HB GLN 33 3HB GLN 33 10.476 4.300 -2.009 355 1HG GLN 33 2HG GLN 33 8.693 3.242 -3.318 356 2HG GLN 33 3HG GLN 33 8.261 4.787 -4.051 357 1HE2 GLN 33 2HE2 GLN 33 10.501 4.086 -6.679 358 2HE2 GLN 33 1HE2 GLN 33 8.928 4.687 -6.182 359 QB GLN 33 QB GLN 33 10.291 5.068 -2.409 360 QG GLN 33 QG GLN 33 8.477 4.015 -3.685 361 QE2 GLN 33 QE2 GLN 33 9.715 4.387 -6.430 362 H LEU 34 HN LEU 34 6.906 3.681 -1.553 363 HA LEU 34 HA LEU 34 5.119 5.151 -3.155 364 1HB LEU 34 2HB LEU 34 5.159 2.582 -2.615 365 2HB LEU 34 3HB LEU 34 4.139 2.984 -1.262 366 HG LEU 34 HG LEU 34 2.754 2.295 -3.082 367 1HD1 LEU 34 3HD1 LEU 34 1.814 4.421 -2.067 368 2HD1 LEU 34 1HD1 LEU 34 2.540 5.307 -3.437 369 3HD1 LEU 34 2HD1 LEU 34 1.323 4.075 -3.736 370 1HD2 LEU 34 1HD2 LEU 34 4.917 3.375 -4.646 371 2HD2 LEU 34 2HD2 LEU 34 3.576 2.375 -5.160 372 3HD2 LEU 34 3HD2 LEU 34 3.452 4.151 -5.214 373 QB LEU 34 QB LEU 34 4.649 2.783 -1.939 374 QD1 LEU 34 QD1 LEU 34 1.892 4.601 -3.080 375 QD2 LEU 34 QD2 LEU 34 3.981 3.301 -5.006 376 QQD LEU 34 QQD LEU 34 2.937 3.951 -4.043 377 H GLU 35 HN GLU 35 5.085 4.482 0.318 378 HA GLU 35 HA GLU 35 2.919 6.168 1.046 379 1HB GLU 35 2HB GLU 35 5.191 4.767 2.384 380 2HB GLU 35 3HB GLU 35 4.564 6.158 3.263 381 1HG GLU 35 2HG GLU 35 2.461 5.235 3.506 382 2HG GLU 35 3HG GLU 35 2.593 4.197 2.061 383 QB GLU 35 QB GLU 35 4.877 5.463 2.823 384 QG GLU 35 QG GLU 35 2.527 4.715 2.783 385 H ASN 36 HN ASN 36 6.320 6.971 0.374 386 HA ASN 36 HA ASN 36 5.960 9.769 1.037 387 1HB ASN 36 2HB ASN 36 8.131 8.065 0.097 388 2HB ASN 36 3HB ASN 36 8.067 9.544 -0.851 389 1HD2 ASN 36 2HD2 ASN 36 9.972 9.833 2.511 390 2HD2 ASN 36 1HD2 ASN 36 9.495 8.285 1.894 391 QB ASN 36 QB ASN 36 8.099 8.804 -0.377 392 QD2 ASN 36 QD2 ASN 36 9.734 9.059 2.203 393 H GLY 37 HN GLY 37 4.457 8.112 -1.410 394 1HA GLY 37 1HA GLY 37 3.202 8.765 -3.191 395 2HA GLY 37 2HA GLY 37 3.117 10.317 -2.361 396 QA GLY 37 QA GLY 37 3.159 9.540 -2.776 397 H LYS 38 HN LYS 38 5.897 8.708 -3.899 398 HA LYS 38 HA LYS 38 6.654 11.227 -5.132 399 1HB LYS 38 2HB LYS 38 8.245 8.852 -5.920 400 2HB LYS 38 3HB LYS 38 8.721 10.443 -5.309 401 1HG LYS 38 2HG LYS 38 7.779 9.603 -3.025 402 2HG LYS 38 3HG LYS 38 7.768 8.007 -3.806 403 1HD LYS 38 2HD LYS 38 9.643 8.257 -2.352 404 2HD LYS 38 3HD LYS 38 10.199 8.031 -4.008 405 1HE LYS 38 2HE LYS 38 9.812 10.868 -2.993 406 2HE LYS 38 3HE LYS 38 11.139 9.943 -2.284 407 1HZ LYS 38 1HZ LYS 38 10.804 10.306 -5.180 408 2HZ LYS 38 2HZ LYS 38 11.782 11.229 -4.231 409 3HZ LYS 38 3HZ LYS 38 12.083 9.622 -4.401 410 QB LYS 38 QB LYS 38 8.483 9.648 -5.615 411 QG LYS 38 QG LYS 38 7.773 8.804 -3.416 412 QD LYS 38 QD LYS 38 9.921 8.144 -3.180 413 QE LYS 38 QE LYS 38 10.476 10.405 -2.638 414 QZ LYS 38 QZ LYS 38 11.556 10.385 -4.605 415 H THR 39 HN THR 39 4.876 8.478 -6.214 416 HA THR 39 HA THR 39 5.075 9.370 -9.052 417 HB THR 39 HB THR 39 6.074 7.105 -8.633 418 HG1 THR 39 1HG THR 39 5.404 7.364 -10.644 419 1HG2 THR 39 3HG2 THR 39 4.445 6.346 -6.852 420 2HG2 THR 39 1HG2 THR 39 3.201 6.223 -8.109 421 3HG2 THR 39 2HG2 THR 39 4.648 5.210 -8.195 422 QG2 THR 39 QG2 THR 39 4.098 5.926 -7.719 423 H LYS 40 HN LYS 40 3.081 8.967 -10.243 424 HA LYS 40 HA LYS 40 0.766 9.951 -8.680 425 1HB LYS 40 2HB LYS 40 1.229 9.626 -11.685 426 2HB LYS 40 3HB LYS 40 -0.272 10.161 -10.928 427 1HG LYS 40 2HG LYS 40 0.737 12.147 -11.551 428 2HG LYS 40 3HG LYS 40 1.021 12.033 -9.816 429 1HD LYS 40 2HD LYS 40 3.361 11.231 -10.309 430 2HD LYS 40 3HD LYS 40 3.029 11.412 -12.047 431 1HE LYS 40 2HE LYS 40 2.718 13.851 -11.719 432 2HE LYS 40 3HE LYS 40 2.818 13.642 -9.961 433 1HZ LYS 40 1HZ LYS 40 5.120 12.741 -10.426 434 2HZ LYS 40 2HZ LYS 40 4.988 13.446 -11.909 435 3HZ LYS 40 3HZ LYS 40 4.885 14.357 -10.548 436 QB LYS 40 QB LYS 40 0.478 9.893 -11.307 437 QG LYS 40 QG LYS 40 0.879 12.090 -10.684 438 QD LYS 40 QD LYS 40 3.196 11.322 -11.178 439 QE LYS 40 QE LYS 40 2.768 13.746 -10.840 440 QZ LYS 40 QZ LYS 40 4.998 13.515 -10.961 441 NH1 ARG 41 NH2 ARG 41 -3.524 1.592 -12.111 442 NH2 ARG 41 NH1 ARG 41 -3.591 1.880 -14.409 443 H ARG 41 HN ARG 41 1.755 7.143 -10.699 444 HA ARG 41 HA ARG 41 -0.253 5.537 -9.305 445 1HB ARG 41 2HB ARG 41 -1.373 6.505 -11.277 446 2HB ARG 41 3HB ARG 41 -0.255 5.659 -12.347 447 1HG ARG 41 2HG ARG 41 -1.838 4.187 -10.204 448 2HG ARG 41 3HG ARG 41 -2.629 4.665 -11.694 449 1HD ARG 41 2HD ARG 41 -0.070 3.291 -12.231 450 2HD ARG 41 3HD ARG 41 -1.128 2.303 -11.257 451 HE ARG 41 HE ARG 41 -1.501 3.231 -14.028 452 1HH1 ARG 41 2HH2 ARG 41 -3.093 1.804 -11.224 453 2HH1 ARG 41 1HH2 ARG 41 -4.361 1.028 -12.120 454 1HH2 ARG 41 2HH1 ARG 41 -3.223 2.287 -15.256 455 2HH2 ARG 41 1HH1 ARG 41 -4.440 1.337 -14.472 456 QB ARG 41 QB ARG 41 -0.814 6.082 -11.812 457 QG ARG 41 QG ARG 41 -2.233 4.426 -10.950 458 QD ARG 41 QD ARG 41 -0.599 2.797 -11.745 459 QH1 ARG 41 QH2 ARG 41 -3.726 1.416 -11.672 460 QH2 ARG 41 QH1 ARG 41 -3.831 1.813 -14.864 461 HA PRO 42 HA PRO 42 3.607 3.136 -9.847 462 1HB PRO 42 2HB PRO 42 3.202 1.320 -7.810 463 2HB PRO 42 3HB PRO 42 3.765 2.968 -7.540 464 1HG PRO 42 2HG PRO 42 1.014 1.818 -7.233 465 2HG PRO 42 3HG PRO 42 1.747 3.039 -6.202 466 1HD PRO 42 2HD PRO 42 -0.055 3.614 -8.237 467 2HD PRO 42 3HD PRO 42 1.135 4.785 -7.578 468 QB PRO 42 QB PRO 42 3.483 2.144 -7.675 469 QG PRO 42 QG PRO 42 1.381 2.428 -6.718 470 QD PRO 42 QD PRO 42 0.540 4.200 -7.908 471 NH1 ARG 43 NH2 ARG 43 1.851 -2.150 -15.740 472 NH2 ARG 43 NH1 ARG 43 1.503 0.111 -16.108 473 H ARG 43 HN ARG 43 4.079 0.852 -10.275 474 HA ARG 43 HA ARG 43 2.083 -0.342 -12.004 475 1HB ARG 43 2HB ARG 43 4.696 -0.295 -12.224 476 2HB ARG 43 3HB ARG 43 4.684 -1.598 -11.040 477 1HG ARG 43 2HG ARG 43 4.494 -3.019 -12.745 478 2HG ARG 43 3HG ARG 43 2.830 -2.490 -12.953 479 1HD ARG 43 2HD ARG 43 5.253 -1.131 -14.245 480 2HD ARG 43 3HD ARG 43 4.382 -2.415 -15.036 481 HE ARG 43 HE ARG 43 3.555 0.373 -14.660 482 1HH1 ARG 43 2HH2 ARG 43 2.376 -2.881 -15.282 483 2HH1 ARG 43 1HH2 ARG 43 1.056 -2.408 -16.305 484 1HH2 ARG 43 2HH1 ARG 43 1.789 1.074 -15.998 485 2HH2 ARG 43 1HH1 ARG 43 0.700 -0.089 -16.686 486 QB ARG 43 QB ARG 43 4.690 -0.946 -11.632 487 QG ARG 43 QG ARG 43 3.662 -2.754 -12.850 488 QD ARG 43 QD ARG 43 4.818 -1.773 -14.641 489 QH1 ARG 43 QH2 ARG 43 1.716 -2.645 -15.793 490 QH2 ARG 43 QH1 ARG 43 1.244 0.492 -16.342 491 H PHE 44 HN PHE 44 3.282 -0.905 -8.716 492 HA PHE 44 HA PHE 44 1.773 -3.468 -8.531 493 1HB PHE 44 2HB PHE 44 2.919 -3.694 -6.369 494 2HB PHE 44 3HB PHE 44 4.000 -3.612 -7.735 495 HD1 PHE 44 1HD PHE 44 5.500 -1.679 -8.067 496 HD2 PHE 44 2HD PHE 44 2.842 -1.888 -4.679 497 HE1 PHE 44 1HE PHE 44 6.690 0.224 -7.013 498 HE2 PHE 44 2HE PHE 44 4.075 -0.027 -3.600 499 HZ PHE 44 HZ PHE 44 6.003 1.028 -4.758 500 QB PHE 44 QB PHE 44 3.459 -3.654 -7.052 501 QR PHE 44 QR PHE 44 4.777 -0.843 -5.839 502 H LEU 45 HN LEU 45 0.564 -0.611 -8.667 503 HA LEU 45 HA LEU 45 -0.553 -0.084 -6.134 504 1HB LEU 45 2HB LEU 45 -0.725 1.364 -8.327 505 2HB LEU 45 3HB LEU 45 -2.068 0.325 -8.731 506 HG LEU 45 HG LEU 45 -3.129 0.901 -6.534 507 1HD1 LEU 45 1HD1 LEU 45 -1.042 1.904 -5.377 508 2HD1 LEU 45 2HD1 LEU 45 -1.189 3.273 -6.482 509 3HD1 LEU 45 3HD1 LEU 45 -2.480 2.931 -5.361 510 1HD2 LEU 45 1HD2 LEU 45 -3.704 1.900 -8.735 511 2HD2 LEU 45 2HD2 LEU 45 -4.080 2.890 -7.311 512 3HD2 LEU 45 3HD2 LEU 45 -2.674 3.280 -8.321 513 QB LEU 45 QB LEU 45 -1.396 0.844 -8.529 514 QD1 LEU 45 QD1 LEU 45 -1.570 2.702 -5.740 515 QD2 LEU 45 QD2 LEU 45 -3.486 2.690 -8.122 516 QQD LEU 45 QQD LEU 45 -2.528 2.696 -6.931 517 HA PRO 46 HA PRO 46 -4.210 -2.962 -7.131 518 1HB PRO 46 2HB PRO 46 -3.821 -5.087 -8.868 519 2HB PRO 46 3HB PRO 46 -4.600 -3.544 -9.296 520 1HG PRO 46 2HG PRO 46 -1.855 -4.488 -9.960 521 2HG PRO 46 3HG PRO 46 -2.898 -3.342 -10.842 522 1HD PRO 46 2HD PRO 46 -0.744 -2.746 -9.166 523 2HD PRO 46 3HD PRO 46 -1.945 -1.567 -9.748 524 QB PRO 46 QB PRO 46 -4.211 -4.316 -9.082 525 QG PRO 46 QG PRO 46 -2.376 -3.915 -10.401 526 QD PRO 46 QD PRO 46 -1.345 -2.156 -9.457 527 H GLU 47 HN GLU 47 -0.992 -4.506 -7.523 528 HA GLU 47 HA GLU 47 -1.520 -6.739 -5.941 529 1HB GLU 47 2HB GLU 47 1.141 -5.303 -6.253 530 2HB GLU 47 3HB GLU 47 0.863 -7.002 -5.820 531 1HG GLU 47 2HG GLU 47 -0.526 -6.975 -8.132 532 2HG GLU 47 3HG GLU 47 0.565 -5.624 -8.488 533 QB GLU 47 QB GLU 47 1.002 -6.152 -6.036 534 QG GLU 47 QG GLU 47 0.019 -6.299 -8.310 535 H LEU 48 HN LEU 48 -0.270 -3.516 -4.962 536 HA LEU 48 HA LEU 48 -0.053 -4.055 -2.164 537 1HB LEU 48 2HB LEU 48 0.809 -2.059 -3.521 538 2HB LEU 48 3HB LEU 48 -0.821 -1.413 -3.468 539 HG LEU 48 HG LEU 48 0.458 -0.315 -1.815 540 1HD1 LEU 48 1HD1 LEU 48 -1.825 -1.074 -1.024 541 2HD1 LEU 48 2HD1 LEU 48 -1.000 -2.404 -0.164 542 3HD1 LEU 48 3HD1 LEU 48 -0.643 -0.729 0.248 543 1HD2 LEU 48 1HD2 LEU 48 2.328 -1.888 -1.678 544 2HD2 LEU 48 2HD2 LEU 48 1.755 -1.434 -0.061 545 3HD2 LEU 48 3HD2 LEU 48 1.328 -3.006 -0.739 546 QB LEU 48 QB LEU 48 -0.006 -1.736 -3.494 547 QD1 LEU 48 QD1 LEU 48 -1.156 -1.402 -0.314 548 QD2 LEU 48 QD2 LEU 48 1.804 -2.109 -0.826 549 QQD LEU 48 QQD LEU 48 0.324 -1.756 -0.570 550 H ALA 49 HN ALA 49 -2.716 -2.584 -4.071 551 HA ALA 49 HA ALA 49 -4.508 -2.234 -2.010 552 1HB ALA 49 2HB ALA 49 -4.760 -1.399 -4.374 553 2HB ALA 49 3HB ALA 49 -5.267 -3.017 -4.860 554 3HB ALA 49 1HB ALA 49 -6.237 -2.088 -3.710 555 QB ALA 49 QB ALA 49 -5.421 -2.168 -4.314 556 H SER 50 HN SER 50 -4.133 -5.185 -4.045 557 HA SER 50 HA SER 50 -6.217 -6.645 -2.728 558 1HB SER 50 2HB SER 50 -5.317 -8.555 -4.019 559 2HB SER 50 3HB SER 50 -5.579 -7.109 -5.011 560 HG SER 50 HG SER 50 -3.055 -7.940 -3.982 561 QB SER 50 QB SER 50 -5.449 -7.832 -4.515 562 H ALA 51 HN ALA 51 -2.630 -6.610 -2.372 563 HA ALA 51 HA ALA 51 -2.381 -8.752 -0.551 564 1HB ALA 51 3HB ALA 51 -0.748 -6.190 -0.810 565 2HB ALA 51 1HB ALA 51 -0.273 -7.599 0.142 566 3HB ALA 51 2HB ALA 51 -0.436 -7.744 -1.614 567 QB ALA 51 QB ALA 51 -0.486 -7.178 -0.761 568 H LEU 52 HN LEU 52 -3.172 -5.342 -0.047 569 HA LEU 52 HA LEU 52 -3.440 -5.565 2.840 570 1HB LEU 52 2HB LEU 52 -3.716 -3.470 0.738 571 2HB LEU 52 3HB LEU 52 -4.851 -3.297 2.053 572 HG LEU 52 HG LEU 52 -1.885 -3.668 2.395 573 1HD1 LEU 52 1HD1 LEU 52 -2.723 -1.468 1.288 574 2HD1 LEU 52 2HD1 LEU 52 -3.195 -1.012 2.912 575 3HD1 LEU 52 3HD1 LEU 52 -1.506 -1.419 2.575 576 1HD2 LEU 52 3HD2 LEU 52 -4.049 -3.867 4.275 577 2HD2 LEU 52 1HD2 LEU 52 -2.354 -3.921 4.670 578 3HD2 LEU 52 2HD2 LEU 52 -3.173 -2.378 4.671 579 QB LEU 52 QB LEU 52 -4.283 -3.383 1.395 580 QD1 LEU 52 QD1 LEU 52 -2.474 -1.299 2.259 581 QD2 LEU 52 QD2 LEU 52 -3.192 -3.389 4.539 582 QQD LEU 52 QQD LEU 52 -2.834 -2.345 3.399 583 H GLY 53 HN GLY 53 -5.731 -5.527 0.094 584 1HA GLY 53 1HA GLY 53 -7.697 -6.892 0.105 585 2HA GLY 53 2HA GLY 53 -7.841 -6.725 1.856 586 QA GLY 53 QA GLY 53 -7.769 -6.808 0.980 587 H VAL 54 HN VAL 54 -7.417 -4.478 -0.915 588 HA VAL 54 HA VAL 54 -10.001 -3.163 -0.515 589 HB VAL 54 HB VAL 54 -8.677 -0.900 -0.713 590 1HG1 VAL 54 1HG1 VAL 54 -10.102 -1.442 1.169 591 2HG1 VAL 54 2HG1 VAL 54 -8.768 -2.344 1.921 592 3HG1 VAL 54 3HG1 VAL 54 -8.640 -0.587 1.682 593 1HG2 VAL 54 2HG2 VAL 54 -6.459 -1.899 -1.022 594 2HG2 VAL 54 3HG2 VAL 54 -6.491 -0.843 0.385 595 3HG2 VAL 54 1HG2 VAL 54 -6.513 -2.584 0.620 596 QG1 VAL 54 QG1 VAL 54 -9.169 -1.458 1.591 597 QG2 VAL 54 QG2 VAL 54 -6.487 -1.775 -0.005 598 QQG VAL 54 QQG VAL 54 -7.829 -1.616 0.793 599 H SER 55 HN SER 55 -10.103 -1.361 -2.322 600 HA SER 55 HA SER 55 -9.243 -2.594 -4.836 601 1HB SER 55 2HB SER 55 -11.008 -0.948 -5.628 602 2HB SER 55 3HB SER 55 -11.577 -2.273 -4.598 603 HG SER 55 HG SER 55 -12.036 0.208 -4.187 604 QB SER 55 QB SER 55 -11.293 -1.610 -5.114 605 H VAL 56 HN VAL 56 -8.525 -1.217 -6.555 606 HA VAL 56 HA VAL 56 -6.362 0.576 -5.857 607 HB VAL 56 HB VAL 56 -7.740 -0.424 -8.397 608 1HG1 VAL 56 2HG1 VAL 56 -5.808 1.850 -8.190 609 2HG1 VAL 56 3HG1 VAL 56 -5.802 0.785 -9.610 610 3HG1 VAL 56 1HG1 VAL 56 -7.254 1.702 -9.184 611 1HG2 VAL 56 2HG2 VAL 56 -6.165 -1.879 -7.197 612 2HG2 VAL 56 3HG2 VAL 56 -5.523 -1.410 -8.787 613 3HG2 VAL 56 1HG2 VAL 56 -4.898 -0.627 -7.313 614 QG1 VAL 56 QG1 VAL 56 -6.288 1.446 -8.995 615 QG2 VAL 56 QG2 VAL 56 -5.529 -1.305 -7.765 616 QQG VAL 56 QQG VAL 56 -5.908 0.071 -8.380 617 H ASP 57 HN ASP 57 -9.640 1.128 -7.242 618 HA ASP 57 HA ASP 57 -9.604 3.937 -7.412 619 1HB ASP 57 2HB ASP 57 -12.095 3.602 -6.705 620 2HB ASP 57 3HB ASP 57 -11.524 2.829 -8.190 621 QB ASP 57 QB ASP 57 -11.809 3.216 -7.447 622 CH2 TRP 58 CH2 TRP 58 -7.150 2.133 2.507 623 H TRP 58 HN TRP 58 -10.133 1.778 -4.555 624 HA TRP 58 HA TRP 58 -10.526 3.997 -2.912 625 1HB TRP 58 2HB TRP 58 -11.395 1.898 -2.158 626 2HB TRP 58 3HB TRP 58 -9.796 1.171 -2.131 627 HD1 TRP 58 HD1 TRP 58 -12.072 3.443 0.020 628 HE1 TRP 58 HE1 TRP 58 -11.102 3.785 2.221 629 HE3 TRP 58 HE3 TRP 58 -7.461 1.289 -0.783 630 HZ2 TRP 58 HZ2 TRP 58 -8.645 3.138 3.685 631 HZ3 TRP 58 HZ3 TRP 58 -5.808 1.267 1.104 632 HH2 TRP 58 HH2 TRP 58 -6.369 2.245 3.234 633 QB TRP 58 QB TRP 58 -10.595 1.534 -2.145 634 H LEU 59 HN LEU 59 -7.612 2.083 -3.508 635 HA LEU 59 HA LEU 59 -5.796 3.489 -1.872 636 1HB LEU 59 2HB LEU 59 -5.567 2.041 -4.517 637 2HB LEU 59 3HB LEU 59 -4.245 3.022 -4.059 638 HG LEU 59 HG LEU 59 -5.252 0.496 -2.843 639 1HD1 LEU 59 1HD1 LEU 59 -3.417 0.474 -4.487 640 2HD1 LEU 59 2HD1 LEU 59 -2.434 1.500 -3.411 641 3HD1 LEU 59 3HD1 LEU 59 -2.891 -0.139 -2.920 642 1HD2 LEU 59 1HD2 LEU 59 -3.476 2.511 -1.364 643 2HD2 LEU 59 2HD2 LEU 59 -5.034 1.863 -0.814 644 3HD2 LEU 59 3HD2 LEU 59 -3.646 0.801 -0.904 645 QB LEU 59 QB LEU 59 -4.906 2.532 -4.287 646 QD1 LEU 59 QD1 LEU 59 -2.913 0.612 -3.606 647 QD2 LEU 59 QD2 LEU 59 -4.052 1.725 -1.028 648 QQD LEU 59 QQD LEU 59 -3.482 1.168 -2.316 649 H LEU 60 HN LEU 60 -6.889 4.444 -5.160 650 HA LEU 60 HA LEU 60 -5.363 6.907 -5.051 651 1HB LEU 60 2HB LEU 60 -7.807 6.127 -6.684 652 2HB LEU 60 3HB LEU 60 -7.023 7.698 -6.777 653 HG LEU 60 HG LEU 60 -6.352 5.231 -8.121 654 1HD1 LEU 60 2HD1 LEU 60 -6.617 7.505 -9.136 655 2HD1 LEU 60 3HD1 LEU 60 -5.127 8.014 -8.323 656 3HD1 LEU 60 1HD1 LEU 60 -5.076 6.748 -9.556 657 1HD2 LEU 60 3HD2 LEU 60 -4.596 4.879 -6.409 658 2HD2 LEU 60 1HD2 LEU 60 -3.931 5.272 -8.001 659 3HD2 LEU 60 2HD2 LEU 60 -3.951 6.505 -6.737 660 QB LEU 60 QB LEU 60 -7.416 6.913 -6.730 661 QD1 LEU 60 QD1 LEU 60 -5.607 7.423 -9.005 662 QD2 LEU 60 QD2 LEU 60 -4.159 5.552 -7.049 663 QQD LEU 60 QQD LEU 60 -4.883 6.487 -8.027 664 H ASN 61 HN ASN 61 -8.912 6.360 -4.462 665 HA ASN 61 HA ASN 61 -8.864 8.545 -2.553 666 1HB ASN 61 2HB ASN 61 -10.224 10.103 -3.651 667 2HB ASN 61 3HB ASN 61 -8.778 9.812 -4.618 668 1HD2 ASN 61 2HD2 ASN 61 -10.799 7.962 -7.152 669 2HD2 ASN 61 1HD2 ASN 61 -9.364 7.634 -6.203 670 QB ASN 61 QB ASN 61 -9.501 9.958 -4.134 671 QD2 ASN 61 QD2 ASN 61 -10.081 7.798 -6.679 672 H GLY 62 HN GLY 62 -9.636 6.065 -1.901 673 1HA GLY 62 1HA GLY 62 -12.584 5.956 -2.002 674 2HA GLY 62 2HA GLY 62 -11.473 4.799 -1.391 675 QA GLY 62 QA GLY 62 -12.028 5.377 -1.697 676 H THR 63 HN THR 63 -10.093 6.224 0.499 677 HA THR 63 HA THR 63 -10.139 6.756 2.712 678 HB THR 63 HB THR 63 -11.433 8.621 3.298 679 HG1 THR 63 1HG THR 63 -13.371 7.560 1.847 680 1HG2 THR 63 2HG2 THR 63 -9.742 8.779 1.435 681 2HG2 THR 63 3HG2 THR 63 -11.081 8.720 0.260 682 3HG2 THR 63 1HG2 THR 63 -10.980 10.068 1.387 683 QG2 THR 63 QG2 THR 63 -10.601 9.189 1.027 684 H SER 64 HN SER 64 -10.456 4.906 4.005 685 HA SER 64 HA SER 64 -12.968 4.659 5.301 686 1HB SER 64 2HB SER 64 -13.372 3.552 2.907 687 2HB SER 64 3HB SER 64 -12.523 2.178 3.635 688 HG SER 64 HG SER 64 -14.830 2.182 4.022 689 QB SER 64 QB SER 64 -12.948 2.865 3.271 690 H ASP 65 HN ASP 65 -12.020 4.469 7.234 691 HA ASP 65 HA ASP 65 -9.831 2.534 7.730 692 1HB ASP 65 2HB ASP 65 -10.996 4.905 9.181 693 2HB ASP 65 3HB ASP 65 -10.255 3.603 10.106 694 QB ASP 65 QB ASP 65 -10.626 4.255 9.643 695 H SER 66 HN SER 66 -10.547 0.562 7.884 696 HA SER 66 HA SER 66 -11.914 -1.268 8.140 697 1HB SER 66 2HB SER 66 -12.315 -1.521 10.767 698 2HB SER 66 3HB SER 66 -10.730 -1.641 10.018 699 HG SER 66 HG SER 66 -11.783 0.727 11.157 700 QB SER 66 QB SER 66 -11.522 -1.581 10.392 701 H ASN 67 HN ASN 67 -13.622 0.046 6.833 702 HA ASN 67 HA ASN 67 -16.155 -0.520 8.195 703 1HB ASN 67 2HB ASN 67 -15.262 2.040 8.408 704 2HB ASN 67 3HB ASN 67 -16.063 2.172 6.849 705 1HD2 ASN 67 2HD2 ASN 67 -19.305 1.258 8.444 706 2HD2 ASN 67 1HD2 ASN 67 -18.418 0.745 7.022 707 QB ASN 67 QB ASN 67 -15.663 2.106 7.629 708 QD2 ASN 67 QD2 ASN 67 -18.862 1.002 7.733 709 H VAL 68 HN VAL 68 -17.016 -1.922 6.761 710 HA VAL 68 HA VAL 68 -16.698 -1.507 3.826 711 HB VAL 68 HB VAL 68 -17.832 -3.829 5.442 712 1HG1 VAL 68 2HG1 VAL 68 -18.839 -3.611 3.137 713 2HG1 VAL 68 3HG1 VAL 68 -17.203 -3.690 2.459 714 3HG1 VAL 68 1HG1 VAL 68 -17.868 -5.068 3.353 715 1HG2 VAL 68 3HG2 VAL 68 -15.198 -3.542 3.920 716 2HG2 VAL 68 1HG2 VAL 68 -15.363 -3.618 5.683 717 3HG2 VAL 68 2HG2 VAL 68 -15.786 -5.021 4.700 718 QG1 VAL 68 QG1 VAL 68 -17.970 -4.123 2.983 719 QG2 VAL 68 QG2 VAL 68 -15.449 -4.061 4.767 720 QQG VAL 68 QQG VAL 68 -16.709 -4.092 3.875 721 NH1 ARG 69 NH2 ARG 69 -22.173 4.431 3.523 722 NH2 ARG 69 NH1 ARG 69 -24.336 5.103 4.029 723 H ARG 69 HN ARG 69 -18.463 -0.706 2.643 724 HA ARG 69 HA ARG 69 -21.130 -0.896 3.397 725 1HB ARG 69 2HB ARG 69 -20.123 0.965 5.019 726 2HB ARG 69 3HB ARG 69 -20.180 1.995 3.609 727 1HG ARG 69 2HG ARG 69 -22.507 0.439 4.864 728 2HG ARG 69 3HG ARG 69 -22.125 2.123 5.171 729 1HD ARG 69 2HD ARG 69 -22.408 2.036 2.351 730 2HD ARG 69 3HD ARG 69 -23.589 0.885 2.918 731 HE ARG 69 HE ARG 69 -24.864 2.647 3.675 732 1HH1 ARG 69 2HH2 ARG 69 -21.545 3.683 3.252 733 2HH1 ARG 69 1HH2 ARG 69 -21.804 5.362 3.630 734 1HH2 ARG 69 2HH1 ARG 69 -25.314 4.888 4.162 735 2HH2 ARG 69 1HH1 ARG 69 -24.033 6.058 4.150 736 QB ARG 69 QB ARG 69 -20.151 1.480 4.314 737 QG ARG 69 QG ARG 69 -22.316 1.281 5.017 738 QD ARG 69 QD ARG 69 -22.999 1.460 2.634 739 QH1 ARG 69 QH2 ARG 69 -21.674 4.523 3.440 740 QH2 ARG 69 QH1 ARG 69 -24.673 5.473 4.156 Start of MODEL 17 Raw file had 740 H/Q atoms Start of MODEL 17 1 H SER 1 HN SER 1 -3.109 11.490 5.069 2 HA SER 1 HA SER 1 -2.859 11.868 2.365 3 1HB SER 1 2HB SER 1 -0.411 11.677 2.761 4 2HB SER 1 3HB SER 1 -1.158 12.523 4.122 5 HG SER 1 HG SER 1 0.318 10.564 4.531 6 QB SER 1 QB SER 1 -0.784 12.100 3.442 7 H ILE 2 HN ILE 2 -1.140 10.395 1.033 8 HA ILE 2 HA ILE 2 -2.005 7.809 0.437 9 HB ILE 2 HB ILE 2 -0.703 8.936 -1.101 10 1HG1 ILE 2 2HG1 ILE 2 1.087 7.515 -1.696 11 2HG1 ILE 2 3HG1 ILE 2 1.307 6.908 -0.058 12 1HG2 ILE 2 1HG2 ILE 2 0.962 9.790 1.203 13 2HG2 ILE 2 2HG2 ILE 2 1.880 9.270 -0.197 14 3HG2 ILE 2 3HG2 ILE 2 0.618 10.538 -0.325 15 1HD1 ILE 2 1HD1 ILE 2 -1.353 6.496 -1.459 16 2HD1 ILE 2 2HD1 ILE 2 0.033 5.481 -1.868 17 3HD1 ILE 2 3HD1 ILE 2 -0.569 5.499 -0.212 18 QG1 ILE 2 QG1 ILE 2 1.198 7.211 -0.877 19 QG2 ILE 2 QG2 ILE 2 1.154 9.866 0.227 20 QD1 ILE 2 QD1 ILE 2 -0.630 5.825 -1.180 21 H SER 3 HN SER 3 1.095 8.445 2.358 22 HA SER 3 HA SER 3 1.384 5.837 3.138 23 1HB SER 3 2HB SER 3 2.836 6.690 4.873 24 2HB SER 3 3HB SER 3 2.987 7.782 3.497 25 HG SER 3 HG SER 3 2.032 8.320 5.963 26 QB SER 3 QB SER 3 2.912 7.236 4.186 27 H SER 4 HN SER 4 -0.670 8.346 4.612 28 HA SER 4 HA SER 4 -1.400 6.856 6.869 29 1HB SER 4 2HB SER 4 -2.073 9.306 6.004 30 2HB SER 4 3HB SER 4 -3.588 8.427 5.613 31 HG SER 4 HG SER 4 -3.476 7.734 7.876 32 QB SER 4 QB SER 4 -2.830 8.867 5.808 33 NH1 ARG 5 NH2 ARG 5 -4.861 9.667 0.224 34 NH2 ARG 5 NH1 ARG 5 -3.822 9.061 -1.759 35 H ARG 5 HN ARG 5 -2.709 6.573 3.490 36 HA ARG 5 HA ARG 5 -4.953 4.935 4.373 37 1HB ARG 5 2HB ARG 5 -4.002 4.736 1.528 38 2HB ARG 5 3HB ARG 5 -5.612 4.803 2.225 39 1HG ARG 5 2HG ARG 5 -5.127 7.244 2.812 40 2HG ARG 5 3HG ARG 5 -3.710 7.050 1.736 41 1HD ARG 5 2HD ARG 5 -6.060 6.002 0.431 42 2HD ARG 5 3HD ARG 5 -6.407 7.618 1.012 43 HE ARG 5 HE ARG 5 -4.575 6.751 -1.123 44 1HH1 ARG 5 2HH2 ARG 5 -5.384 9.383 1.037 45 2HH1 ARG 5 1HH2 ARG 5 -4.762 10.648 0.011 46 1HH2 ARG 5 2HH1 ARG 5 -3.650 8.371 -2.479 47 2HH2 ARG 5 1HH1 ARG 5 -3.593 10.020 -1.963 48 QB ARG 5 QB ARG 5 -4.807 4.769 1.877 49 QG ARG 5 QG ARG 5 -4.418 7.147 2.275 50 QD ARG 5 QD ARG 5 -6.234 6.810 0.722 51 QH1 ARG 5 QH2 ARG 5 -5.073 10.015 0.524 52 QH2 ARG 5 QH1 ARG 5 -3.622 9.196 -2.221 53 H VAL 6 HN VAL 6 -1.941 4.331 2.650 54 HA VAL 6 HA VAL 6 -1.906 1.502 2.575 55 HB VAL 6 HB VAL 6 0.063 3.772 2.419 56 1HG1 VAL 6 1HG1 VAL 6 0.829 0.910 2.866 57 2HG1 VAL 6 2HG1 VAL 6 1.904 2.068 2.042 58 3HG1 VAL 6 3HG1 VAL 6 1.388 2.395 3.706 59 1HG2 VAL 6 1HG2 VAL 6 -1.334 2.593 0.473 60 2HG2 VAL 6 2HG2 VAL 6 0.359 3.070 0.223 61 3HG2 VAL 6 3HG2 VAL 6 -0.026 1.392 0.610 62 QG1 VAL 6 QG1 VAL 6 1.373 1.791 2.871 63 QG2 VAL 6 QG2 VAL 6 -0.334 2.352 0.435 64 QQG VAL 6 QQG VAL 6 0.520 2.072 1.653 65 H LYS 7 HN LYS 7 -0.418 3.641 5.088 66 HA LYS 7 HA LYS 7 0.332 1.431 6.687 67 1HB LYS 7 2HB LYS 7 1.362 3.706 6.639 68 2HB LYS 7 3HB LYS 7 0.029 4.311 7.618 69 1HG LYS 7 2HG LYS 7 0.780 3.287 9.521 70 2HG LYS 7 3HG LYS 7 1.312 1.831 8.675 71 1HD LYS 7 2HD LYS 7 3.290 3.313 7.771 72 2HD LYS 7 3HD LYS 7 2.760 4.484 8.969 73 1HE LYS 7 2HE LYS 7 4.433 3.314 10.121 74 2HE LYS 7 3HE LYS 7 2.953 2.523 10.695 75 1HZ LYS 7 3HZ LYS 7 3.417 0.837 8.932 76 2HZ LYS 7 1HZ LYS 7 4.897 1.561 8.714 77 3HZ LYS 7 2HZ LYS 7 4.528 0.889 10.149 78 QB LYS 7 QB LYS 7 0.696 4.008 7.129 79 QG LYS 7 QG LYS 7 1.046 2.559 9.098 80 QD LYS 7 QD LYS 7 3.025 3.899 8.370 81 QE LYS 7 QE LYS 7 3.692 2.918 10.408 82 QZ LYS 7 QZ LYS 7 4.281 1.095 9.265 83 H SER 8 HN SER 8 -2.479 3.660 6.885 84 HA SER 8 HA SER 8 -3.677 2.760 9.261 85 1HB SER 8 2HB SER 8 -5.012 3.523 6.621 86 2HB SER 8 3HB SER 8 -5.911 3.090 8.073 87 HG SER 8 HG SER 8 -4.105 5.220 7.780 88 QB SER 8 QB SER 8 -5.461 3.306 7.347 89 H LYS 9 HN LYS 9 -3.821 1.273 5.913 90 HA LYS 9 HA LYS 9 -5.635 -0.660 6.912 91 1HB LYS 9 2HB LYS 9 -4.855 0.270 4.417 92 2HB LYS 9 3HB LYS 9 -4.099 -1.290 4.463 93 1HG LYS 9 2HG LYS 9 -7.039 -0.515 4.769 94 2HG LYS 9 3HG LYS 9 -6.300 -1.459 3.479 95 1HD LYS 9 2HD LYS 9 -5.723 -3.156 5.461 96 2HD LYS 9 3HD LYS 9 -6.901 -2.265 6.379 97 1HE LYS 9 2HE LYS 9 -7.876 -4.278 5.433 98 2HE LYS 9 3HE LYS 9 -8.709 -2.798 4.925 99 1HZ LYS 9 3HZ LYS 9 -6.801 -4.358 3.282 100 2HZ LYS 9 1HZ LYS 9 -8.385 -4.370 3.119 101 3HZ LYS 9 2HZ LYS 9 -7.578 -2.973 2.814 102 QB LYS 9 QB LYS 9 -4.476 -0.510 4.440 103 QG LYS 9 QG LYS 9 -6.669 -0.987 4.124 104 QD LYS 9 QD LYS 9 -6.312 -2.711 5.920 105 QE LYS 9 QE LYS 9 -8.292 -3.538 5.180 106 QZ LYS 9 QZ LYS 9 -7.588 -3.901 3.072 107 NH1 ARG 10 NH2 ARG 10 2.444 -0.861 3.620 108 NH2 ARG 10 NH1 ARG 10 3.084 1.026 4.771 109 H ARG 10 HN ARG 10 -2.132 -0.584 6.332 110 HA ARG 10 HA ARG 10 -1.364 -3.174 7.021 111 1HB ARG 10 2HB ARG 10 -0.048 -1.027 6.285 112 2HB ARG 10 3HB ARG 10 0.142 -0.720 8.010 113 1HG ARG 10 2HG ARG 10 1.802 -2.205 8.188 114 2HG ARG 10 3HG ARG 10 0.858 -3.485 7.405 115 1HD ARG 10 2HD ARG 10 2.824 -2.999 6.076 116 2HD ARG 10 3HD ARG 10 1.356 -2.528 5.222 117 HE ARG 10 HE ARG 10 3.047 -0.576 6.751 118 1HH1 ARG 10 2HH2 ARG 10 2.228 -1.844 3.619 119 2HH1 ARG 10 1HH2 ARG 10 2.504 -0.374 2.736 120 1HH2 ARG 10 2HH1 ARG 10 3.225 1.669 5.556 121 2HH2 ARG 10 1HH1 ARG 10 3.229 1.531 3.911 122 QB ARG 10 QB ARG 10 0.047 -0.873 7.148 123 QG ARG 10 QG ARG 10 1.330 -2.845 7.796 124 QD ARG 10 QD ARG 10 2.089 -2.764 5.650 125 QH1 ARG 10 QH2 ARG 10 2.366 -1.108 3.178 126 QH2 ARG 10 QH1 ARG 10 3.226 1.600 4.733 127 H ILE 11 HN ILE 11 -2.016 -0.412 9.182 128 HA ILE 11 HA ILE 11 -1.501 -1.749 11.647 129 HB ILE 11 HB ILE 11 -2.584 0.878 10.746 130 1HG1 ILE 11 2HG1 ILE 11 -1.526 1.351 13.155 131 2HG1 ILE 11 3HG1 ILE 11 -0.736 -0.190 12.882 132 1HG2 ILE 11 2HG2 ILE 11 -3.726 -0.218 13.325 133 2HG2 ILE 11 3HG2 ILE 11 -3.692 1.490 12.855 134 3HG2 ILE 11 1HG2 ILE 11 -4.617 0.368 11.897 135 1HD1 ILE 11 1HD1 ILE 11 -0.009 0.782 10.596 136 2HD1 ILE 11 2HD1 ILE 11 -0.613 2.341 11.210 137 3HD1 ILE 11 3HD1 ILE 11 0.723 1.519 12.038 138 QG1 ILE 11 QG1 ILE 11 -1.131 0.580 13.018 139 QG2 ILE 11 QG2 ILE 11 -4.012 0.547 12.693 140 QD1 ILE 11 QD1 ILE 11 0.034 1.547 11.281 141 H GLN 12 HN GLN 12 -4.544 -1.015 9.977 142 HA GLN 12 HA GLN 12 -6.247 -2.283 11.769 143 1HB GLN 12 2HB GLN 12 -6.614 -0.973 9.408 144 2HB GLN 12 3HB GLN 12 -6.973 -2.622 8.880 145 1HG GLN 12 2HG GLN 12 -8.661 -2.805 10.706 146 2HG GLN 12 3HG GLN 12 -8.248 -1.172 11.255 147 1HE2 GLN 12 2HE2 GLN 12 -9.781 0.457 8.396 148 2HE2 GLN 12 1HE2 GLN 12 -8.332 0.561 9.385 149 QB GLN 12 QB GLN 12 -6.794 -1.798 9.144 150 QG GLN 12 QG GLN 12 -8.455 -1.989 10.981 151 QE2 GLN 12 QE2 GLN 12 -9.056 0.508 8.890 152 H LEU 13 HN LEU 13 -4.393 -3.749 9.128 153 HA LEU 13 HA LEU 13 -5.231 -6.484 9.674 154 1HB LEU 13 2HB LEU 13 -3.203 -5.050 8.007 155 2HB LEU 13 3HB LEU 13 -2.761 -6.662 8.493 156 HG LEU 13 HG LEU 13 -5.553 -6.609 7.559 157 1HD1 LEU 13 2HD1 LEU 13 -3.640 -5.144 5.928 158 2HD1 LEU 13 3HD1 LEU 13 -4.289 -6.556 5.076 159 3HD1 LEU 13 1HD1 LEU 13 -5.398 -5.368 5.773 160 1HD2 LEU 13 1HD2 LEU 13 -4.036 -8.609 7.969 161 2HD2 LEU 13 2HD2 LEU 13 -4.911 -8.595 6.434 162 3HD2 LEU 13 3HD2 LEU 13 -3.196 -8.166 6.470 163 QB LEU 13 QB LEU 13 -2.981 -5.855 8.249 164 QD1 LEU 13 QD1 LEU 13 -4.442 -5.690 5.592 165 QD2 LEU 13 QD2 LEU 13 -4.047 -8.456 6.958 166 QQD LEU 13 QQD LEU 13 -4.245 -7.073 6.275 167 H GLY 14 HN GLY 14 -2.533 -4.460 10.826 168 1HA GLY 14 1HA GLY 14 -1.460 -4.690 12.887 169 2HA GLY 14 2HA GLY 14 -2.118 -6.319 13.091 170 QA GLY 14 QA GLY 14 -1.789 -5.504 12.989 171 H LEU 15 HN LEU 15 -0.449 -5.041 10.208 172 HA LEU 15 HA LEU 15 1.878 -6.882 10.726 173 1HB LEU 15 2HB LEU 15 0.471 -6.247 8.125 174 2HB LEU 15 3HB LEU 15 2.000 -7.101 8.235 175 HG LEU 15 HG LEU 15 -0.122 -8.279 9.959 176 1HD1 LEU 15 3HD1 LEU 15 -1.068 -7.566 7.437 177 2HD1 LEU 15 1HD1 LEU 15 -0.563 -9.244 7.239 178 3HD1 LEU 15 2HD1 LEU 15 -1.692 -8.828 8.522 179 1HD2 LEU 15 3HD2 LEU 15 1.874 -9.397 7.984 180 2HD2 LEU 15 1HD2 LEU 15 1.942 -9.479 9.752 181 3HD2 LEU 15 2HD2 LEU 15 0.720 -10.391 8.863 182 QB LEU 15 QB LEU 15 1.236 -6.674 8.180 183 QD1 LEU 15 QD1 LEU 15 -1.108 -8.546 7.733 184 QD2 LEU 15 QD2 LEU 15 1.512 -9.756 8.866 185 QQD LEU 15 QQD LEU 15 0.202 -9.151 8.299 186 H ASN 16 HN ASN 16 3.799 -6.102 9.433 187 HA ASN 16 HA ASN 16 4.008 -3.127 9.662 188 1HB ASN 16 2HB ASN 16 6.305 -3.356 10.064 189 2HB ASN 16 3HB ASN 16 5.545 -4.570 11.092 190 1HD2 ASN 16 2HD2 ASN 16 6.832 -7.354 9.187 191 2HD2 ASN 16 1HD2 ASN 16 5.644 -6.826 10.357 192 QB ASN 16 QB ASN 16 5.925 -3.963 10.578 193 QD2 ASN 16 QD2 ASN 16 6.238 -7.090 9.772 194 H GLN 17 HN GLN 17 5.852 -2.368 8.173 195 HA GLN 17 HA GLN 17 4.897 -2.359 5.485 196 1HB GLN 17 2HB GLN 17 7.268 -1.325 6.978 197 2HB GLN 17 3HB GLN 17 7.248 -1.235 5.192 198 1HG GLN 17 2HG GLN 17 5.390 0.166 5.200 199 2HG GLN 17 3HG GLN 17 4.934 -0.287 6.860 200 1HE2 GLN 17 2HE2 GLN 17 7.196 2.993 6.284 201 2HE2 GLN 17 1HE2 GLN 17 6.717 2.064 4.920 202 QB GLN 17 QB GLN 17 7.258 -1.280 6.085 203 QG GLN 17 QG GLN 17 5.162 -0.060 6.029 204 QE2 GLN 17 QE2 GLN 17 6.957 2.528 5.602 205 H ALA 18 HN ALA 18 7.782 -4.036 6.888 206 HA ALA 18 HA ALA 18 8.706 -5.136 4.437 207 1HB ALA 18 2HB ALA 18 9.953 -4.985 6.639 208 2HB ALA 18 3HB ALA 18 9.019 -6.398 7.179 209 3HB ALA 18 1HB ALA 18 10.080 -6.529 5.772 210 QB ALA 18 QB ALA 18 9.684 -5.970 6.529 211 H GLU 19 HN GLU 19 6.544 -6.427 6.966 212 HA GLU 19 HA GLU 19 5.898 -8.931 5.823 213 1HB GLU 19 2HB GLU 19 4.640 -7.069 7.766 214 2HB GLU 19 3HB GLU 19 3.509 -8.097 6.910 215 1HG GLU 19 2HG GLU 19 5.989 -9.314 8.152 216 2HG GLU 19 3HG GLU 19 4.520 -9.024 9.093 217 QB GLU 19 QB GLU 19 4.075 -7.583 7.337 218 QG GLU 19 QG GLU 19 5.255 -9.169 8.623 219 H LEU 20 HN LEU 20 4.299 -5.750 5.422 220 HA LEU 20 HA LEU 20 2.415 -6.815 3.587 221 1HB LEU 20 2HB LEU 20 2.252 -4.767 5.000 222 2HB LEU 20 3HB LEU 20 3.188 -3.892 3.775 223 HG LEU 20 HG LEU 20 1.071 -5.465 2.533 224 1HD1 LEU 20 2HD1 LEU 20 0.115 -5.009 5.003 225 2HD1 LEU 20 3HD1 LEU 20 -0.360 -3.479 4.250 226 3HD1 LEU 20 1HD1 LEU 20 -0.867 -5.022 3.555 227 1HD2 LEU 20 3HD2 LEU 20 2.268 -3.142 1.896 228 2HD2 LEU 20 1HD2 LEU 20 0.789 -3.795 1.224 229 3HD2 LEU 20 2HD2 LEU 20 0.682 -2.556 2.476 230 QB LEU 20 QB LEU 20 2.720 -4.328 4.387 231 QD1 LEU 20 QD1 LEU 20 -0.371 -4.503 4.269 232 QD2 LEU 20 QD2 LEU 20 1.247 -3.165 1.865 233 QQD LEU 20 QQD LEU 20 0.438 -3.834 3.068 234 H ALA 21 HN ALA 21 5.626 -5.438 3.130 235 HA ALA 21 HA ALA 21 5.626 -5.248 0.292 236 1HB ALA 21 1HB ALA 21 7.625 -5.224 2.465 237 2HB ALA 21 2HB ALA 21 8.225 -5.915 0.952 238 3HB ALA 21 3HB ALA 21 7.510 -4.291 0.979 239 QB ALA 21 QB ALA 21 7.786 -5.144 1.465 240 H GLN 22 HN GLN 22 6.534 -8.020 2.449 241 HA GLN 22 HA GLN 22 7.066 -9.728 0.175 242 1HB GLN 22 2HB GLN 22 6.924 -11.638 1.649 243 2HB GLN 22 3HB GLN 22 7.978 -10.380 2.305 244 1HG GLN 22 2HG GLN 22 6.462 -9.792 3.966 245 2HG GLN 22 3HG GLN 22 5.090 -10.634 3.208 246 1HE2 GLN 22 2HE2 GLN 22 5.593 -13.646 4.835 247 2HE2 GLN 22 1HE2 GLN 22 4.622 -12.706 3.719 248 QB GLN 22 QB GLN 22 7.452 -11.009 1.977 249 QG GLN 22 QG GLN 22 5.777 -10.213 3.587 250 QE2 GLN 22 QE2 GLN 22 5.108 -13.177 4.277 251 H LYS 23 HN LYS 23 4.106 -8.997 2.013 252 HA LYS 23 HA LYS 23 2.537 -11.001 0.694 253 1HB LYS 23 2HB LYS 23 1.186 -10.550 2.338 254 2HB LYS 23 3HB LYS 23 2.256 -9.233 2.851 255 1HG LYS 23 2HG LYS 23 0.975 -7.700 1.331 256 2HG LYS 23 3HG LYS 23 -0.158 -9.044 1.060 257 1HD LYS 23 2HD LYS 23 0.250 -7.305 3.490 258 2HD LYS 23 3HD LYS 23 -1.220 -7.805 2.686 259 1HE LYS 23 2HE LYS 23 -1.199 -8.806 4.810 260 2HE LYS 23 3HE LYS 23 -0.900 -10.120 3.672 261 1HZ LYS 23 3HZ LYS 23 1.327 -8.730 5.044 262 2HZ LYS 23 1HZ LYS 23 0.540 -9.965 5.773 263 3HZ LYS 23 2HZ LYS 23 1.339 -10.217 4.383 264 QB LYS 23 QB LYS 23 1.721 -9.891 2.595 265 QG LYS 23 QG LYS 23 0.409 -8.372 1.196 266 QD LYS 23 QD LYS 23 -0.484 -7.555 3.089 267 QE LYS 23 QE LYS 23 -1.050 -9.462 4.241 268 QZ LYS 23 QZ LYS 23 1.069 -9.638 5.067 269 H VAL 24 HN VAL 24 3.260 -7.651 -0.094 270 HA VAL 24 HA VAL 24 1.499 -7.447 -2.400 271 HB VAL 24 HB VAL 24 3.898 -5.899 -1.359 272 1HG1 VAL 24 1HG1 VAL 24 2.157 -5.225 -3.755 273 2HG1 VAL 24 2HG1 VAL 24 3.337 -4.138 -3.007 274 3HG1 VAL 24 3HG1 VAL 24 3.888 -5.608 -3.825 275 1HG2 VAL 24 3HG2 VAL 24 1.527 -5.777 -0.233 276 2HG2 VAL 24 1HG2 VAL 24 2.331 -4.257 -0.683 277 3HG2 VAL 24 2HG2 VAL 24 1.054 -4.941 -1.704 278 QG1 VAL 24 QG1 VAL 24 3.127 -4.990 -3.529 279 QG2 VAL 24 QG2 VAL 24 1.637 -4.992 -0.873 280 QQG VAL 24 QQG VAL 24 2.382 -4.991 -2.201 281 H GLY 25 HN GLY 25 4.868 -8.492 -1.798 282 1HA GLY 25 1HA GLY 25 6.115 -9.929 -3.185 283 2HA GLY 25 2HA GLY 25 4.993 -9.672 -4.528 284 QA GLY 25 QA GLY 25 5.554 -9.799 -3.856 285 H THR 26 HN THR 26 6.490 -7.219 -2.426 286 HA THR 26 HA THR 26 8.432 -6.477 -4.510 287 HB THR 26 HB THR 26 6.509 -4.992 -4.954 288 HG1 THR 26 1HG THR 26 7.902 -3.000 -4.569 289 1HG2 THR 26 1HG2 THR 26 5.709 -4.883 -2.514 290 2HG2 THR 26 2HG2 THR 26 6.989 -3.708 -2.230 291 3HG2 THR 26 3HG2 THR 26 5.718 -3.356 -3.414 292 QG2 THR 26 QG2 THR 26 6.139 -3.982 -2.720 293 H THR 27 HN THR 27 9.078 -4.106 -2.883 294 HA THR 27 HA THR 27 10.330 -5.402 -0.490 295 HB THR 27 HB THR 27 12.252 -3.747 -1.099 296 HG1 THR 27 1HG THR 27 10.946 -3.970 -3.616 297 1HG2 THR 27 1HG2 THR 27 11.658 -6.231 -2.770 298 2HG2 THR 27 2HG2 THR 27 13.220 -5.389 -2.747 299 3HG2 THR 27 3HG2 THR 27 12.591 -6.131 -1.264 300 QG2 THR 27 QG2 THR 27 12.490 -5.918 -2.260 301 H GLN 28 HN GLN 28 10.453 -4.089 1.327 302 HA GLN 28 HA GLN 28 8.492 -2.225 1.878 303 1HB GLN 28 2HB GLN 28 9.716 -3.178 3.657 304 2HB GLN 28 3HB GLN 28 11.267 -2.570 3.047 305 1HG GLN 28 2HG GLN 28 10.645 -0.263 3.595 306 2HG GLN 28 3HG GLN 28 8.998 -0.758 3.983 307 1HE2 GLN 28 2HE2 GLN 28 12.099 -1.706 6.573 308 2HE2 GLN 28 1HE2 GLN 28 12.419 -1.538 4.855 309 QB GLN 28 QB GLN 28 10.492 -2.874 3.352 310 QG GLN 28 QG GLN 28 9.822 -0.510 3.790 311 QE2 GLN 28 QE2 GLN 28 12.259 -1.622 5.713 312 H GLN 29 HN GLN 29 11.668 -1.615 0.390 313 HA GLN 29 HA GLN 29 11.747 1.141 0.463 314 1HB GLN 29 2HB GLN 29 13.106 -0.928 -0.934 315 2HB GLN 29 3HB GLN 29 12.454 0.090 -2.216 316 1HG GLN 29 2HG GLN 29 14.690 0.833 -1.575 317 2HG GLN 29 3HG GLN 29 13.505 2.079 -1.151 318 1HE2 GLN 29 2HE2 GLN 29 14.395 2.023 2.283 319 2HE2 GLN 29 1HE2 GLN 29 13.674 2.886 0.958 320 QB GLN 29 QB GLN 29 12.780 -0.419 -1.575 321 QG GLN 29 QG GLN 29 14.097 1.456 -1.364 322 QE2 GLN 29 QE2 GLN 29 14.034 2.455 1.620 323 H SER 30 HN SER 30 9.811 -0.872 -1.792 324 HA SER 30 HA SER 30 8.846 1.295 -3.368 325 1HB SER 30 2HB SER 30 7.522 -1.382 -2.770 326 2HB SER 30 3HB SER 30 7.179 -0.290 -4.113 327 HG SER 30 HG SER 30 9.591 -0.599 -4.507 328 QB SER 30 QB SER 30 7.350 -0.836 -3.441 329 H ILE 31 HN ILE 31 7.633 -0.293 -0.359 330 HA ILE 31 HA ILE 31 5.222 1.212 -0.235 331 HB ILE 31 HB ILE 31 6.856 -0.343 1.817 332 1HG1 ILE 31 2HG1 ILE 31 4.945 -1.881 1.654 333 2HG1 ILE 31 3HG1 ILE 31 4.231 -0.852 0.378 334 1HG2 ILE 31 2HG2 ILE 31 4.159 1.011 2.085 335 2HG2 ILE 31 3HG2 ILE 31 4.861 -0.213 3.178 336 3HG2 ILE 31 1HG2 ILE 31 5.627 1.370 3.031 337 1HD1 ILE 31 1HD1 ILE 31 6.888 -2.243 0.101 338 2HD1 ILE 31 2HD1 ILE 31 5.347 -3.005 -0.331 339 3HD1 ILE 31 3HD1 ILE 31 5.857 -1.559 -1.191 340 QG1 ILE 31 QG1 ILE 31 4.588 -1.367 1.016 341 QG2 ILE 31 QG2 ILE 31 4.883 0.723 2.765 342 QD1 ILE 31 QD1 ILE 31 6.030 -2.269 -0.474 343 H GLU 32 HN GLU 32 8.358 1.623 1.523 344 HA GLU 32 HA GLU 32 7.689 3.995 2.860 345 1HB GLU 32 2HB GLU 32 9.633 2.750 3.458 346 2HB GLU 32 3HB GLU 32 10.391 2.984 1.875 347 1HG GLU 32 2HG GLU 32 10.880 5.247 2.298 348 2HG GLU 32 3HG GLU 32 9.638 5.392 3.554 349 QB GLU 32 QB GLU 32 10.012 2.868 2.667 350 QG GLU 32 QG GLU 32 10.259 5.320 2.926 351 H GLN 33 HN GLN 33 9.298 3.655 -0.377 352 HA GLN 33 HA GLN 33 9.422 6.428 -0.841 353 1HB GLN 33 2HB GLN 33 9.804 6.016 -3.123 354 2HB GLN 33 3HB GLN 33 10.585 4.709 -2.194 355 1HG GLN 33 2HG GLN 33 8.658 3.322 -2.668 356 2HG GLN 33 3HG GLN 33 7.961 4.556 -3.733 357 1HE2 GLN 33 2HE2 GLN 33 9.541 2.968 -6.421 358 2HE2 GLN 33 1HE2 GLN 33 8.064 3.617 -5.723 359 QB GLN 33 QB GLN 33 10.195 5.363 -2.658 360 QG GLN 33 QG GLN 33 8.310 3.939 -3.200 361 QE2 GLN 33 QE2 GLN 33 8.803 3.292 -6.072 362 H LEU 34 HN LEU 34 6.812 4.097 -1.739 363 HA LEU 34 HA LEU 34 5.048 5.946 -2.891 364 1HB LEU 34 2HB LEU 34 4.745 3.588 -3.103 365 2HB LEU 34 3HB LEU 34 4.485 3.380 -1.363 366 HG LEU 34 HG LEU 34 2.378 4.687 -1.504 367 1HD1 LEU 34 3HD1 LEU 34 3.104 4.725 -4.459 368 2HD1 LEU 34 1HD1 LEU 34 1.468 5.074 -3.860 369 3HD1 LEU 34 2HD1 LEU 34 2.812 6.131 -3.405 370 1HD2 LEU 34 2HD2 LEU 34 2.408 2.210 -1.759 371 2HD2 LEU 34 3HD2 LEU 34 1.060 2.991 -2.609 372 3HD2 LEU 34 1HD2 LEU 34 2.469 2.433 -3.528 373 QB LEU 34 QB LEU 34 4.615 3.484 -2.233 374 QD1 LEU 34 QD1 LEU 34 2.462 5.310 -3.908 375 QD2 LEU 34 QD2 LEU 34 1.979 2.545 -2.632 376 QQD LEU 34 QQD LEU 34 2.220 3.927 -3.270 377 H GLU 35 HN GLU 35 5.291 4.976 0.514 378 HA GLU 35 HA GLU 35 3.212 6.427 1.639 379 1HB GLU 35 2HB GLU 35 5.941 5.598 2.720 380 2HB GLU 35 3HB GLU 35 4.837 6.481 3.700 381 1HG GLU 35 2HG GLU 35 3.098 4.583 3.143 382 2HG GLU 35 3HG GLU 35 4.530 3.674 2.671 383 QB GLU 35 QB GLU 35 5.389 6.039 3.210 384 QG GLU 35 QG GLU 35 3.814 4.128 2.907 385 H ASN 36 HN ASN 36 6.682 7.527 1.335 386 HA ASN 36 HA ASN 36 5.679 10.297 1.782 387 1HB ASN 36 2HB ASN 36 7.719 10.925 2.242 388 2HB ASN 36 3HB ASN 36 7.912 9.205 2.624 389 1HD2 ASN 36 2HD2 ASN 36 9.580 8.983 -0.832 390 2HD2 ASN 36 1HD2 ASN 36 8.156 8.218 -0.169 391 QB ASN 36 QB ASN 36 7.815 10.064 2.433 392 QD2 ASN 36 QD2 ASN 36 8.868 8.601 -0.500 393 H GLY 37 HN GLY 37 5.312 8.480 -0.782 394 1HA GLY 37 1HA GLY 37 6.685 10.099 -2.844 395 2HA GLY 37 2HA GLY 37 5.938 8.502 -3.026 396 QA GLY 37 QA GLY 37 6.312 9.300 -2.935 397 H LYS 38 HN LYS 38 3.528 9.200 -1.653 398 HA LYS 38 HA LYS 38 1.392 9.793 -2.320 399 1HB LYS 38 2HB LYS 38 2.475 12.514 -3.075 400 2HB LYS 38 3HB LYS 38 0.990 12.070 -2.238 401 1HG LYS 38 2HG LYS 38 2.093 12.725 -0.348 402 2HG LYS 38 3HG LYS 38 2.869 11.163 -0.426 403 1HD LYS 38 2HD LYS 38 4.706 12.393 -0.225 404 2HD LYS 38 3HD LYS 38 4.639 12.353 -1.975 405 1HE LYS 38 2HE LYS 38 4.805 14.576 -1.918 406 2HE LYS 38 3HE LYS 38 3.120 14.625 -1.386 407 1HZ LYS 38 3HZ LYS 38 5.459 14.419 0.411 408 2HZ LYS 38 1HZ LYS 38 4.706 15.832 0.049 409 3HZ LYS 38 2HZ LYS 38 3.900 14.661 0.878 410 QB LYS 38 QB LYS 38 1.732 12.292 -2.657 411 QG LYS 38 QG LYS 38 2.482 11.945 -0.387 412 QD LYS 38 QD LYS 38 4.672 12.373 -1.101 413 QE LYS 38 QE LYS 38 3.962 14.601 -1.652 414 QZ LYS 38 QZ LYS 38 4.689 14.971 0.446 415 H THR 39 HN THR 39 2.427 8.240 -4.082 416 HA THR 39 HA THR 39 2.125 9.311 -6.782 417 HB THR 39 HB THR 39 2.601 6.537 -5.678 418 HG1 THR 39 1HG THR 39 4.193 8.422 -5.772 419 1HG2 THR 39 1HG2 THR 39 2.379 7.416 -8.568 420 2HG2 THR 39 2HG2 THR 39 3.192 5.928 -8.034 421 3HG2 THR 39 3HG2 THR 39 1.473 6.144 -7.703 422 QG2 THR 39 QG2 THR 39 2.348 6.497 -8.102 423 H LYS 40 HN LYS 40 0.467 9.117 -8.062 424 HA LYS 40 HA LYS 40 -2.184 8.525 -7.100 425 1HB LYS 40 2HB LYS 40 -2.806 8.899 -9.499 426 2HB LYS 40 3HB LYS 40 -2.064 10.262 -8.661 427 1HG LYS 40 2HG LYS 40 -0.032 10.115 -9.884 428 2HG LYS 40 3HG LYS 40 -0.303 8.440 -10.309 429 1HD LYS 40 2HD LYS 40 -0.736 9.233 -12.304 430 2HD LYS 40 3HD LYS 40 -2.373 9.338 -11.686 431 1HE LYS 40 2HE LYS 40 -0.284 11.582 -11.853 432 2HE LYS 40 3HE LYS 40 -1.658 11.359 -12.940 433 1HZ LYS 40 1HZ LYS 40 -1.862 11.952 -10.063 434 2HZ LYS 40 2HZ LYS 40 -2.093 13.025 -11.288 435 3HZ LYS 40 3HZ LYS 40 -3.131 11.764 -11.097 436 QB LYS 40 QB LYS 40 -2.435 9.581 -9.080 437 QG LYS 40 QG LYS 40 -0.168 9.277 -10.097 438 QD LYS 40 QD LYS 40 -1.555 9.285 -11.995 439 QE LYS 40 QE LYS 40 -0.970 11.470 -12.396 440 QZ LYS 40 QZ LYS 40 -2.362 12.247 -10.816 441 NH1 ARG 41 NH2 ARG 41 -1.658 1.266 -13.563 442 NH2 ARG 41 NH1 ARG 41 -1.168 2.479 -15.476 443 H ARG 41 HN ARG 41 0.076 6.808 -9.369 444 HA ARG 41 HA ARG 41 -1.514 4.367 -8.916 445 1HB ARG 41 2HB ARG 41 -2.254 5.619 -11.020 446 2HB ARG 41 3HB ARG 41 -0.722 5.135 -11.736 447 1HG ARG 41 2HG ARG 41 -1.228 2.780 -11.402 448 2HG ARG 41 3HG ARG 41 -2.612 3.145 -10.385 449 1HD ARG 41 2HD ARG 41 -3.695 2.623 -12.361 450 2HD ARG 41 3HD ARG 41 -3.665 4.371 -12.375 451 HE ARG 41 HE ARG 41 -2.399 4.328 -14.275 452 1HH1 ARG 41 2HH2 ARG 41 -2.072 1.233 -12.643 453 2HH1 ARG 41 1HH2 ARG 41 -1.186 0.445 -13.911 454 1HH2 ARG 41 2HH1 ARG 41 -1.220 3.331 -16.015 455 2HH2 ARG 41 1HH1 ARG 41 -0.694 1.686 -15.880 456 QB ARG 41 QB ARG 41 -1.487 5.377 -11.378 457 QG ARG 41 QG ARG 41 -1.920 2.962 -10.893 458 QD ARG 41 QD ARG 41 -3.679 3.497 -12.368 459 QH1 ARG 41 QH2 ARG 41 -1.629 0.839 -13.276 460 QH2 ARG 41 QH1 ARG 41 -0.957 2.508 -15.948 461 HA PRO 42 HA PRO 42 2.992 3.459 -8.628 462 1HB PRO 42 2HB PRO 42 2.747 1.427 -6.739 463 2HB PRO 42 3HB PRO 42 2.916 3.142 -6.349 464 1HG PRO 42 2HG PRO 42 0.480 1.422 -6.386 465 2HG PRO 42 3HG PRO 42 0.841 2.780 -5.290 466 1HD PRO 42 2HD PRO 42 -0.831 2.888 -7.541 467 2HD PRO 42 3HD PRO 42 -0.143 4.304 -6.762 468 QB PRO 42 QB PRO 42 2.832 2.285 -6.544 469 QG PRO 42 QG PRO 42 0.661 2.101 -5.838 470 QD PRO 42 QD PRO 42 -0.487 3.596 -7.151 471 NH1 ARG 43 NH2 ARG 43 8.151 -4.791 -11.269 472 NH2 ARG 43 NH1 ARG 43 6.755 -5.916 -12.738 473 H ARG 43 HN ARG 43 4.077 1.246 -8.799 474 HA ARG 43 HA ARG 43 2.962 -0.121 -11.094 475 1HB ARG 43 2HB ARG 43 5.449 0.310 -10.608 476 2HB ARG 43 3HB ARG 43 5.331 -0.910 -9.336 477 1HG ARG 43 2HG ARG 43 4.195 -2.161 -11.601 478 2HG ARG 43 3HG ARG 43 5.513 -1.207 -12.276 479 1HD ARG 43 2HD ARG 43 7.134 -2.306 -10.902 480 2HD ARG 43 3HD ARG 43 5.883 -3.072 -9.887 481 HE ARG 43 HE ARG 43 5.180 -4.034 -12.276 482 1HH1 ARG 43 2HH2 ARG 43 8.310 -4.022 -10.636 483 2HH1 ARG 43 1HH2 ARG 43 8.875 -5.486 -11.375 484 1HH2 ARG 43 2HH1 ARG 43 5.870 -6.000 -13.219 485 2HH2 ARG 43 1HH1 ARG 43 7.437 -6.649 -12.868 486 QB ARG 43 QB ARG 43 5.391 -0.300 -9.972 487 QG ARG 43 QG ARG 43 4.854 -1.684 -11.938 488 QD ARG 43 QD ARG 43 6.508 -2.689 -10.394 489 QH1 ARG 43 QH2 ARG 43 8.592 -4.754 -11.006 490 QH2 ARG 43 QH1 ARG 43 6.653 -6.324 -13.044 491 H PHE 44 HN PHE 44 3.163 -0.710 -7.636 492 HA PHE 44 HA PHE 44 2.033 -3.465 -7.931 493 1HB PHE 44 2HB PHE 44 2.641 -3.611 -5.503 494 2HB PHE 44 3HB PHE 44 3.991 -3.469 -6.605 495 HD1 PHE 44 1HD PHE 44 5.258 -1.298 -6.774 496 HD2 PHE 44 2HD PHE 44 2.152 -1.915 -3.860 497 HE1 PHE 44 1HE PHE 44 5.803 0.879 -5.712 498 HE2 PHE 44 2HE PHE 44 2.935 0.061 -2.602 499 HZ PHE 44 HZ PHE 44 4.766 1.465 -3.533 500 QB PHE 44 QB PHE 44 3.316 -3.541 -6.054 501 QR PHE 44 QR PHE 44 4.037 -0.568 -4.737 502 H LEU 45 HN LEU 45 0.528 -0.922 -8.471 503 HA LEU 45 HA LEU 45 -1.168 -0.470 -6.273 504 1HB LEU 45 2HB LEU 45 -0.912 0.824 -8.512 505 2HB LEU 45 3HB LEU 45 -2.133 -0.264 -9.156 506 HG LEU 45 HG LEU 45 -2.791 2.069 -8.294 507 1HD1 LEU 45 1HD1 LEU 45 -4.261 -0.402 -7.419 508 2HD1 LEU 45 2HD1 LEU 45 -4.934 1.237 -7.477 509 3HD1 LEU 45 3HD1 LEU 45 -4.373 0.446 -8.984 510 1HD2 LEU 45 3HD2 LEU 45 -1.684 1.789 -5.947 511 2HD2 LEU 45 1HD2 LEU 45 -3.351 2.340 -6.027 512 3HD2 LEU 45 2HD2 LEU 45 -2.963 0.626 -5.648 513 QB LEU 45 QB LEU 45 -1.523 0.280 -8.834 514 QD1 LEU 45 QD1 LEU 45 -4.523 0.427 -7.960 515 QD2 LEU 45 QD2 LEU 45 -2.666 1.585 -5.874 516 QQD LEU 45 QQD LEU 45 -3.595 1.006 -6.917 517 HA PRO 46 HA PRO 46 -4.076 -3.879 -7.932 518 1HB PRO 46 2HB PRO 46 -2.954 -5.948 -9.416 519 2HB PRO 46 3HB PRO 46 -3.848 -4.559 -10.087 520 1HG PRO 46 2HG PRO 46 -0.918 -5.071 -10.085 521 2HG PRO 46 3HG PRO 46 -1.889 -4.089 -11.212 522 1HD PRO 46 2HD PRO 46 -0.277 -3.194 -9.106 523 2HD PRO 46 3HD PRO 46 -1.443 -2.189 -10.000 524 QB PRO 46 QB PRO 46 -3.401 -5.254 -9.752 525 QG PRO 46 QG PRO 46 -1.403 -4.580 -10.648 526 QD PRO 46 QD PRO 46 -0.860 -2.692 -9.553 527 H GLU 47 HN GLU 47 -0.656 -4.941 -7.611 528 HA GLU 47 HA GLU 47 -1.090 -7.188 -6.023 529 1HB GLU 47 2HB GLU 47 1.235 -5.245 -5.806 530 2HB GLU 47 3HB GLU 47 1.210 -6.960 -5.366 531 1HG GLU 47 2HG GLU 47 1.062 -5.790 -8.183 532 2HG GLU 47 3HG GLU 47 2.384 -6.703 -7.456 533 QB GLU 47 QB GLU 47 1.222 -6.102 -5.586 534 QG GLU 47 QG GLU 47 1.723 -6.246 -7.819 535 H LEU 48 HN LEU 48 -0.671 -3.781 -5.011 536 HA LEU 48 HA LEU 48 -0.921 -4.316 -2.213 537 1HB LEU 48 2HB LEU 48 0.184 -2.342 -3.142 538 2HB LEU 48 3HB LEU 48 -1.358 -1.755 -3.764 539 HG LEU 48 HG LEU 48 -2.139 -1.697 -1.316 540 1HD1 LEU 48 3HD1 LEU 48 0.826 -2.176 -0.799 541 2HD1 LEU 48 1HD1 LEU 48 -0.363 -1.646 0.404 542 3HD1 LEU 48 2HD1 LEU 48 -0.527 -3.241 -0.354 543 1HD2 LEU 48 3HD2 LEU 48 -1.198 0.312 -2.631 544 2HD2 LEU 48 1HD2 LEU 48 -1.166 0.381 -0.870 545 3HD2 LEU 48 2HD2 LEU 48 0.325 0.017 -1.772 546 QB LEU 48 QB LEU 48 -0.587 -2.049 -3.453 547 QD1 LEU 48 QD1 LEU 48 -0.021 -2.354 -0.250 548 QD2 LEU 48 QD2 LEU 48 -0.680 0.237 -1.758 549 QQD LEU 48 QQD LEU 48 -0.350 -1.058 -1.004 550 H ALA 49 HN ALA 49 -3.273 -3.377 -4.758 551 HA ALA 49 HA ALA 49 -5.536 -3.123 -3.083 552 1HB ALA 49 3HB ALA 49 -5.412 -2.476 -5.498 553 2HB ALA 49 1HB ALA 49 -5.498 -4.193 -5.932 554 3HB ALA 49 2HB ALA 49 -6.846 -3.419 -5.095 555 QB ALA 49 QB ALA 49 -5.919 -3.363 -5.508 556 H SER 50 HN SER 50 -4.317 -6.047 -4.753 557 HA SER 50 HA SER 50 -6.220 -7.822 -3.572 558 1HB SER 50 2HB SER 50 -3.494 -8.263 -4.867 559 2HB SER 50 3HB SER 50 -4.605 -9.569 -4.410 560 HG SER 50 HG SER 50 -6.195 -8.452 -5.749 561 QB SER 50 QB SER 50 -4.049 -8.916 -4.639 562 H ALA 51 HN ALA 51 -2.810 -7.090 -2.682 563 HA ALA 51 HA ALA 51 -2.494 -8.864 -0.540 564 1HB ALA 51 3HB ALA 51 -1.407 -6.080 -1.073 565 2HB ALA 51 1HB ALA 51 -0.918 -7.004 0.322 566 3HB ALA 51 2HB ALA 51 -0.585 -7.641 -1.307 567 QB ALA 51 QB ALA 51 -0.970 -6.908 -0.686 568 H LEU 52 HN LEU 52 -3.694 -5.475 -0.488 569 HA LEU 52 HA LEU 52 -4.362 -5.714 2.312 570 1HB LEU 52 2HB LEU 52 -4.533 -3.514 0.294 571 2HB LEU 52 3HB LEU 52 -5.757 -3.535 1.524 572 HG LEU 52 HG LEU 52 -4.372 -2.184 2.495 573 1HD1 LEU 52 1HD1 LEU 52 -4.700 -4.207 3.961 574 2HD1 LEU 52 2HD1 LEU 52 -3.056 -4.722 3.573 575 3HD1 LEU 52 3HD1 LEU 52 -3.286 -3.224 4.430 576 1HD2 LEU 52 1HD2 LEU 52 -2.506 -2.751 0.747 577 2HD2 LEU 52 2HD2 LEU 52 -2.230 -1.785 2.220 578 3HD2 LEU 52 3HD2 LEU 52 -1.758 -3.496 2.172 579 QB LEU 52 QB LEU 52 -5.145 -3.525 0.909 580 QD1 LEU 52 QD1 LEU 52 -3.681 -4.051 3.988 581 QD2 LEU 52 QD2 LEU 52 -2.165 -2.677 1.713 582 QQD LEU 52 QQD LEU 52 -2.923 -3.364 2.850 583 H GLY 53 HN GLY 53 -6.078 -6.149 -0.745 584 1HA GLY 53 1HA GLY 53 -8.135 -7.034 -1.177 585 2HA GLY 53 2HA GLY 53 -8.433 -7.285 0.551 586 QA GLY 53 QA GLY 53 -8.284 -7.159 -0.313 587 H VAL 54 HN VAL 54 -7.708 -4.481 -1.573 588 HA VAL 54 HA VAL 54 -10.277 -3.186 -0.855 589 HB VAL 54 HB VAL 54 -9.013 -0.930 -0.986 590 1HG1 VAL 54 3HG1 VAL 54 -8.936 -2.763 1.385 591 2HG1 VAL 54 1HG1 VAL 54 -8.382 -1.066 1.472 592 3HG1 VAL 54 2HG1 VAL 54 -10.053 -1.443 1.017 593 1HG2 VAL 54 2HG2 VAL 54 -6.640 -2.691 -0.306 594 2HG2 VAL 54 3HG2 VAL 54 -6.876 -1.751 -1.784 595 3HG2 VAL 54 1HG2 VAL 54 -6.690 -0.925 -0.222 596 QG1 VAL 54 QG1 VAL 54 -9.124 -1.758 1.291 597 QG2 VAL 54 QG2 VAL 54 -6.736 -1.789 -0.771 598 QQG VAL 54 QQG VAL 54 -7.930 -1.773 0.260 599 H SER 55 HN SER 55 -10.615 -1.294 -2.446 600 HA SER 55 HA SER 55 -10.494 -2.401 -5.108 601 1HB SER 55 2HB SER 55 -11.934 -0.267 -5.383 602 2HB SER 55 3HB SER 55 -12.550 -1.529 -4.327 603 HG SER 55 HG SER 55 -11.322 0.887 -3.585 604 QB SER 55 QB SER 55 -12.242 -0.897 -4.855 605 H VAL 56 HN VAL 56 -9.253 -1.663 -6.759 606 HA VAL 56 HA VAL 56 -6.853 -0.154 -6.439 607 HB VAL 56 HB VAL 56 -8.614 -1.054 -8.759 608 1HG1 VAL 56 3HG1 VAL 56 -6.481 1.021 -9.004 609 2HG1 VAL 56 1HG1 VAL 56 -6.666 -0.193 -10.273 610 3HG1 VAL 56 2HG1 VAL 56 -8.020 0.848 -9.830 611 1HG2 VAL 56 3HG2 VAL 56 -5.905 -1.791 -7.644 612 2HG2 VAL 56 1HG2 VAL 56 -7.304 -2.807 -7.975 613 3HG2 VAL 56 2HG2 VAL 56 -6.321 -2.188 -9.309 614 QG1 VAL 56 QG1 VAL 56 -7.056 0.559 -9.702 615 QG2 VAL 56 QG2 VAL 56 -6.510 -2.262 -8.309 616 QQG VAL 56 QQG VAL 56 -6.782 -0.852 -9.005 617 H ASP 57 HN ASP 57 -10.132 1.028 -7.520 618 HA ASP 57 HA ASP 57 -9.409 3.709 -7.966 619 1HB ASP 57 2HB ASP 57 -11.816 4.131 -7.166 620 2HB ASP 57 3HB ASP 57 -11.542 3.073 -8.564 621 QB ASP 57 QB ASP 57 -11.679 3.602 -7.865 622 CH2 TRP 58 CH2 TRP 58 -7.111 2.795 2.348 623 H TRP 58 HN TRP 58 -10.062 1.994 -4.884 624 HA TRP 58 HA TRP 58 -9.995 4.458 -3.328 625 1HB TRP 58 2HB TRP 58 -11.095 2.438 -2.435 626 2HB TRP 58 3HB TRP 58 -9.541 1.603 -2.347 627 HD1 TRP 58 HD1 TRP 58 -11.442 4.551 -0.888 628 HE1 TRP 58 HE1 TRP 58 -10.523 5.295 1.290 629 HE3 TRP 58 HE3 TRP 58 -7.420 1.446 -0.773 630 HZ2 TRP 58 HZ2 TRP 58 -8.407 4.320 3.168 631 HZ3 TRP 58 HZ3 TRP 58 -5.939 1.381 1.219 632 HH2 TRP 58 HH2 TRP 58 -6.446 2.774 3.199 633 QB TRP 58 QB TRP 58 -10.318 2.020 -2.391 634 H LEU 59 HN LEU 59 -7.695 1.738 -3.879 635 HA LEU 59 HA LEU 59 -5.579 3.017 -2.487 636 1HB LEU 59 2HB LEU 59 -5.888 0.767 -4.422 637 2HB LEU 59 3HB LEU 59 -4.306 1.474 -4.330 638 HG LEU 59 HG LEU 59 -5.834 0.272 -2.038 639 1HD1 LEU 59 1HD1 LEU 59 -4.744 -1.153 -3.810 640 2HD1 LEU 59 2HD1 LEU 59 -3.190 -0.486 -3.328 641 3HD1 LEU 59 3HD1 LEU 59 -4.153 -1.433 -2.156 642 1HD2 LEU 59 2HD2 LEU 59 -3.206 1.806 -2.022 643 2HD2 LEU 59 3HD2 LEU 59 -4.573 1.961 -0.901 644 3HD2 LEU 59 1HD2 LEU 59 -3.554 0.539 -0.830 645 QB LEU 59 QB LEU 59 -5.097 1.120 -4.377 646 QD1 LEU 59 QD1 LEU 59 -4.029 -1.024 -3.098 647 QD2 LEU 59 QD2 LEU 59 -3.777 1.435 -1.251 648 QQD LEU 59 QQD LEU 59 -3.903 0.206 -2.174 649 H LEU 60 HN LEU 60 -6.681 3.588 -5.756 650 HA LEU 60 HA LEU 60 -4.488 5.220 -6.629 651 1HB LEU 60 2HB LEU 60 -7.336 4.724 -7.454 652 2HB LEU 60 3HB LEU 60 -6.607 6.197 -8.046 653 HG LEU 60 HG LEU 60 -5.103 3.598 -8.311 654 1HD1 LEU 60 1HD1 LEU 60 -7.411 3.145 -9.169 655 2HD1 LEU 60 2HD1 LEU 60 -7.225 4.481 -10.309 656 3HD1 LEU 60 3HD1 LEU 60 -6.153 3.068 -10.411 657 1HD2 LEU 60 3HD2 LEU 60 -4.693 6.294 -9.153 658 2HD2 LEU 60 1HD2 LEU 60 -3.784 4.850 -9.602 659 3HD2 LEU 60 2HD2 LEU 60 -5.120 5.409 -10.619 660 QB LEU 60 QB LEU 60 -6.972 5.460 -7.750 661 QD1 LEU 60 QD1 LEU 60 -6.930 3.564 -9.963 662 QD2 LEU 60 QD2 LEU 60 -4.532 5.518 -9.791 663 QQD LEU 60 QQD LEU 60 -5.730 4.541 -9.878 664 H ASN 61 HN ASN 61 -7.785 6.255 -5.639 665 HA ASN 61 HA ASN 61 -6.682 8.974 -5.161 666 1HB ASN 61 2HB ASN 61 -9.115 9.580 -4.827 667 2HB ASN 61 3HB ASN 61 -8.590 9.095 -6.442 668 1HD2 ASN 61 2HD2 ASN 61 -11.088 6.630 -6.629 669 2HD2 ASN 61 1HD2 ASN 61 -10.129 7.843 -7.471 670 QB ASN 61 QB ASN 61 -8.852 9.337 -5.634 671 QD2 ASN 61 QD2 ASN 61 -10.608 7.237 -7.050 672 H GLY 62 HN GLY 62 -8.486 6.534 -3.332 673 1HA GLY 62 1HA GLY 62 -7.743 6.024 -1.048 674 2HA GLY 62 2HA GLY 62 -7.652 7.767 -0.753 675 QA GLY 62 QA GLY 62 -7.698 6.896 -0.900 676 H THR 63 HN THR 63 -10.343 6.774 -2.685 677 HA THR 63 HA THR 63 -12.198 6.892 -0.411 678 HB THR 63 HB THR 63 -13.118 8.874 -1.063 679 HG1 THR 63 1HG THR 63 -12.347 8.421 -3.498 680 1HG2 THR 63 2HG2 THR 63 -10.991 9.353 0.156 681 2HG2 THR 63 3HG2 THR 63 -10.161 9.521 -1.417 682 3HG2 THR 63 1HG2 THR 63 -11.438 10.642 -0.970 683 QG2 THR 63 QG2 THR 63 -10.863 9.839 -0.744 684 H SER 64 HN SER 64 -13.619 5.226 -0.938 685 HA SER 64 HA SER 64 -14.607 5.030 -3.734 686 1HB SER 64 2HB SER 64 -12.921 3.253 -3.444 687 2HB SER 64 3HB SER 64 -13.801 2.641 -2.024 688 HG SER 64 HG SER 64 -14.234 2.320 -4.690 689 QB SER 64 QB SER 64 -13.361 2.947 -2.734 690 H ASP 65 HN ASP 65 -16.713 5.454 -3.597 691 HA ASP 65 HA ASP 65 -18.526 4.124 -1.869 692 1HB ASP 65 2HB ASP 65 -19.318 6.084 -0.618 693 2HB ASP 65 3HB ASP 65 -17.620 5.806 -0.226 694 QB ASP 65 QB ASP 65 -18.470 5.945 -0.422 695 H SER 66 HN SER 66 -20.749 5.115 -2.352 696 HA SER 66 HA SER 66 -22.333 5.408 -3.994 697 1HB SER 66 2HB SER 66 -20.595 7.879 -3.996 698 2HB SER 66 3HB SER 66 -22.004 7.768 -5.065 699 HG SER 66 HG SER 66 -22.485 8.639 -2.971 700 QB SER 66 QB SER 66 -21.300 7.823 -4.531 701 H ASN 67 HN ASN 67 -21.568 3.544 -5.206 702 HA ASN 67 HA ASN 67 -21.286 2.479 -7.147 703 1HB ASN 67 2HB ASN 67 -22.134 5.085 -8.060 704 2HB ASN 67 3HB ASN 67 -20.834 4.555 -9.121 705 1HD2 ASN 67 2HD2 ASN 67 -24.370 3.361 -10.089 706 2HD2 ASN 67 1HD2 ASN 67 -23.863 4.882 -9.366 707 QB ASN 67 QB ASN 67 -21.485 4.820 -8.591 708 QD2 ASN 67 QD2 ASN 67 -24.116 4.121 -9.728 709 H VAL 68 HN VAL 68 -19.389 1.393 -7.210 710 HA VAL 68 HA VAL 68 -16.841 2.658 -6.797 711 HB VAL 68 HB VAL 68 -17.532 -0.104 -7.861 712 1HG1 VAL 68 2HG1 VAL 68 -15.086 0.785 -8.252 713 2HG1 VAL 68 3HG1 VAL 68 -14.931 0.667 -6.497 714 3HG1 VAL 68 1HG1 VAL 68 -15.309 -0.772 -7.458 715 1HG2 VAL 68 1HG2 VAL 68 -16.832 0.818 -5.036 716 2HG2 VAL 68 2HG2 VAL 68 -18.427 0.253 -5.571 717 3HG2 VAL 68 3HG2 VAL 68 -17.054 -0.864 -5.554 718 QG1 VAL 68 QG1 VAL 68 -15.109 0.227 -7.402 719 QG2 VAL 68 QG2 VAL 68 -17.437 0.069 -5.387 720 QQG VAL 68 QQG VAL 68 -16.273 0.148 -6.394 721 NH1 ARG 69 NH2 ARG 69 -12.020 7.540 -11.977 722 NH2 ARG 69 NH1 ARG 69 -13.831 8.678 -11.086 723 H ARG 69 HN ARG 69 -16.862 4.310 -8.369 724 HA ARG 69 HA ARG 69 -16.013 5.327 -10.182 725 1HB ARG 69 2HB ARG 69 -15.064 2.553 -10.962 726 2HB ARG 69 3HB ARG 69 -14.791 3.954 -11.976 727 1HG ARG 69 2HG ARG 69 -13.923 4.167 -9.090 728 2HG ARG 69 3HG ARG 69 -13.052 3.073 -10.167 729 1HD ARG 69 2HD ARG 69 -11.915 5.182 -10.200 730 2HD ARG 69 3HD ARG 69 -12.654 4.858 -11.785 731 HE ARG 69 HE ARG 69 -14.402 6.422 -10.108 732 1HH1 ARG 69 2HH2 ARG 69 -11.514 6.674 -12.090 733 2HH1 ARG 69 1HH2 ARG 69 -11.681 8.368 -12.441 734 1HH2 ARG 69 2HH1 ARG 69 -14.685 8.683 -10.545 735 2HH2 ARG 69 1HH1 ARG 69 -13.529 9.542 -11.510 736 QB ARG 69 QB ARG 69 -14.927 3.254 -11.469 737 QG ARG 69 QG ARG 69 -13.488 3.620 -9.629 738 QD ARG 69 QD ARG 69 -12.285 5.020 -10.993 739 QH1 ARG 69 QH2 ARG 69 -11.597 7.521 -12.265 740 QH2 ARG 69 QH1 ARG 69 -14.107 9.112 -11.027 Start of MODEL 18 Raw file had 740 H/Q atoms Start of MODEL 18 1 H SER 1 HN SER 1 -4.259 10.443 5.192 2 HA SER 1 HA SER 1 -4.132 11.243 2.429 3 1HB SER 1 2HB SER 1 -1.652 11.408 3.063 4 2HB SER 1 3HB SER 1 -2.732 12.262 4.176 5 HG SER 1 HG SER 1 -1.435 10.932 5.446 6 QB SER 1 QB SER 1 -2.192 11.835 3.620 7 H ILE 2 HN ILE 2 -2.181 10.083 1.084 8 HA ILE 2 HA ILE 2 -2.865 7.401 0.543 9 HB ILE 2 HB ILE 2 -0.284 8.940 0.117 10 1HG1 ILE 2 2HG1 ILE 2 -2.767 9.299 -1.083 11 2HG1 ILE 2 3HG1 ILE 2 -1.210 9.818 -1.717 12 1HG2 ILE 2 3HG2 ILE 2 -1.082 6.152 -0.816 13 2HG2 ILE 2 1HG2 ILE 2 0.203 7.115 -1.575 14 3HG2 ILE 2 2HG2 ILE 2 0.338 6.634 0.115 15 1HD1 ILE 2 2HD1 ILE 2 -2.404 7.102 -2.377 16 2HD1 ILE 2 3HD1 ILE 2 -2.671 8.582 -3.327 17 3HD1 ILE 2 1HD1 ILE 2 -1.049 7.924 -3.177 18 QG1 ILE 2 QG1 ILE 2 -1.989 9.558 -1.401 19 QG2 ILE 2 QG2 ILE 2 -0.180 6.634 -0.759 20 QD1 ILE 2 QD1 ILE 2 -2.042 7.869 -2.960 21 H SER 3 HN SER 3 -0.061 8.652 2.438 22 HA SER 3 HA SER 3 0.790 6.252 3.452 23 1HB SER 3 2HB SER 3 2.067 8.279 3.919 24 2HB SER 3 3HB SER 3 0.729 8.981 4.835 25 HG SER 3 HG SER 3 1.077 7.190 6.338 26 QB SER 3 QB SER 3 1.398 8.630 4.377 27 H SER 4 HN SER 4 -1.781 8.325 4.953 28 HA SER 4 HA SER 4 -2.116 6.512 7.104 29 1HB SER 4 2HB SER 4 -4.104 7.606 7.676 30 2HB SER 4 3HB SER 4 -3.011 8.847 7.052 31 HG SER 4 HG SER 4 -5.253 7.616 5.805 32 QB SER 4 QB SER 4 -3.558 8.227 7.364 33 NH1 ARG 5 NH2 ARG 5 -4.517 5.544 -0.672 34 NH2 ARG 5 NH1 ARG 5 -4.992 7.535 -1.715 35 H ARG 5 HN ARG 5 -3.607 6.504 3.822 36 HA ARG 5 HA ARG 5 -5.474 4.412 4.359 37 1HB ARG 5 2HB ARG 5 -3.962 5.034 1.815 38 2HB ARG 5 3HB ARG 5 -5.186 3.933 1.870 39 1HG ARG 5 2HG ARG 5 -6.570 5.936 3.065 40 2HG ARG 5 3HG ARG 5 -5.427 6.915 2.157 41 1HD ARG 5 2HD ARG 5 -6.782 4.793 0.541 42 2HD ARG 5 3HD ARG 5 -7.824 6.017 1.240 43 HE ARG 5 HE ARG 5 -7.073 7.470 -0.347 44 1HH1 ARG 5 2HH2 ARG 5 -4.769 4.825 -0.016 45 2HH1 ARG 5 1HH2 ARG 5 -3.860 5.327 -1.421 46 1HH2 ARG 5 2HH1 ARG 5 -5.563 8.347 -1.868 47 2HH2 ARG 5 1HH1 ARG 5 -4.341 7.332 -2.471 48 QB ARG 5 QB ARG 5 -4.575 4.484 1.842 49 QG ARG 5 QG ARG 5 -5.999 6.425 2.610 50 QD ARG 5 QD ARG 5 -7.303 5.405 0.890 51 QH1 ARG 5 QH2 ARG 5 -4.315 5.076 -0.719 52 QH2 ARG 5 QH1 ARG 5 -4.952 7.839 -2.170 53 H VAL 6 HN VAL 6 -2.185 4.138 2.891 54 HA VAL 6 HA VAL 6 -2.266 1.289 2.863 55 HB VAL 6 HB VAL 6 0.046 3.275 2.734 56 1HG1 VAL 6 3HG1 VAL 6 0.064 0.247 2.704 57 2HG1 VAL 6 1HG1 VAL 6 1.184 1.140 1.664 58 3HG1 VAL 6 2HG1 VAL 6 1.212 1.415 3.411 59 1HG2 VAL 6 2HG2 VAL 6 -1.378 1.542 0.696 60 2HG2 VAL 6 3HG2 VAL 6 -1.532 3.310 0.824 61 3HG2 VAL 6 1HG2 VAL 6 0.011 2.590 0.333 62 QG1 VAL 6 QG1 VAL 6 0.820 0.934 2.593 63 QG2 VAL 6 QG2 VAL 6 -0.967 2.481 0.617 64 QQG VAL 6 QQG VAL 6 -0.073 1.708 1.606 65 H LYS 7 HN LYS 7 -0.710 3.529 5.178 66 HA LYS 7 HA LYS 7 0.310 1.550 6.913 67 1HB LYS 7 2HB LYS 7 0.977 3.940 6.724 68 2HB LYS 7 3HB LYS 7 -0.509 4.403 7.579 69 1HG LYS 7 2HG LYS 7 0.269 3.110 9.554 70 2HG LYS 7 3HG LYS 7 1.723 2.629 8.665 71 1HD LYS 7 2HD LYS 7 2.698 4.497 9.564 72 2HD LYS 7 3HD LYS 7 1.809 5.359 8.324 73 1HE LYS 7 2HE LYS 7 1.221 6.536 10.270 74 2HE LYS 7 3HE LYS 7 -0.164 5.468 10.018 75 1HZ LYS 7 2HZ LYS 7 1.489 4.006 11.576 76 2HZ LYS 7 3HZ LYS 7 1.756 5.526 12.140 77 3HZ LYS 7 1HZ LYS 7 0.233 4.910 12.134 78 QB LYS 7 QB LYS 7 0.235 4.172 7.151 79 QG LYS 7 QG LYS 7 0.996 2.870 9.109 80 QD LYS 7 QD LYS 7 2.254 4.928 8.944 81 QE LYS 7 QE LYS 7 0.528 6.002 10.145 82 QZ LYS 7 QZ LYS 7 1.159 4.814 11.950 83 H SER 8 HN SER 8 -2.759 3.437 7.201 84 HA SER 8 HA SER 8 -3.607 2.300 9.649 85 1HB SER 8 2HB SER 8 -4.627 4.328 8.629 86 2HB SER 8 3HB SER 8 -5.391 3.287 7.391 87 HG SER 8 HG SER 8 -6.826 3.626 9.069 88 QB SER 8 QB SER 8 -5.009 3.807 8.010 89 H LYS 9 HN LYS 9 -4.324 1.332 6.222 90 HA LYS 9 HA LYS 9 -5.978 -0.837 7.018 91 1HB LYS 9 2HB LYS 9 -5.747 0.300 4.694 92 2HB LYS 9 3HB LYS 9 -4.339 -0.737 4.475 93 1HG LYS 9 2HG LYS 9 -6.189 -1.840 3.448 94 2HG LYS 9 3HG LYS 9 -5.914 -2.715 4.957 95 1HD LYS 9 2HD LYS 9 -7.746 -0.935 5.841 96 2HD LYS 9 3HD LYS 9 -8.168 -0.836 4.155 97 1HE LYS 9 2HE LYS 9 -7.905 -3.631 5.306 98 2HE LYS 9 3HE LYS 9 -9.167 -2.621 6.014 99 1HZ LYS 9 2HZ LYS 9 -10.048 -2.304 3.755 100 2HZ LYS 9 3HZ LYS 9 -8.975 -3.386 3.155 101 3HZ LYS 9 1HZ LYS 9 -10.032 -3.891 4.257 102 QB LYS 9 QB LYS 9 -5.043 -0.218 4.585 103 QG LYS 9 QG LYS 9 -6.052 -2.277 4.202 104 QD LYS 9 QD LYS 9 -7.957 -0.885 4.997 105 QE LYS 9 QE LYS 9 -8.536 -3.127 5.660 106 QZ LYS 9 QZ LYS 9 -9.685 -3.193 3.722 107 NH1 ARG 10 NH2 ARG 10 2.152 -0.896 4.408 108 NH2 ARG 10 NH1 ARG 10 2.567 0.999 5.699 109 H ARG 10 HN ARG 10 -2.444 -0.583 6.533 110 HA ARG 10 HA ARG 10 -1.827 -3.314 6.885 111 1HB ARG 10 2HB ARG 10 -0.347 -0.921 6.608 112 2HB ARG 10 3HB ARG 10 0.103 -1.510 8.208 113 1HG ARG 10 2HG ARG 10 0.414 -3.822 7.014 114 2HG ARG 10 3HG ARG 10 0.350 -2.865 5.527 115 1HD ARG 10 2HD ARG 10 2.274 -2.775 7.813 116 2HD ARG 10 3HD ARG 10 2.655 -3.076 6.100 117 HE ARG 10 HE ARG 10 2.909 -0.686 7.485 118 1HH1 ARG 10 2HH2 ARG 10 2.024 -1.895 4.379 119 2HH1 ARG 10 1HH2 ARG 10 2.147 -0.368 3.548 120 1HH2 ARG 10 2HH1 ARG 10 2.657 1.441 6.598 121 2HH2 ARG 10 1HH1 ARG 10 2.899 1.592 4.927 122 QB ARG 10 QB ARG 10 -0.123 -1.215 7.408 123 QG ARG 10 QG ARG 10 0.381 -3.343 6.270 124 QD ARG 10 QD ARG 10 2.465 -2.925 6.957 125 QH1 ARG 10 QH2 ARG 10 2.086 -1.132 3.964 126 QH2 ARG 10 QH1 ARG 10 2.778 1.517 5.762 127 H ILE 11 HN ILE 11 -2.151 -0.688 9.225 128 HA ILE 11 HA ILE 11 -1.601 -2.074 11.619 129 HB ILE 11 HB ILE 11 -2.893 0.475 10.811 130 1HG1 ILE 11 2HG1 ILE 11 -1.698 1.199 12.910 131 2HG1 ILE 11 3HG1 ILE 11 -0.984 -0.415 12.995 132 1HG2 ILE 11 3HG2 ILE 11 -3.723 -0.732 13.464 133 2HG2 ILE 11 1HG2 ILE 11 -3.887 0.977 13.003 134 3HG2 ILE 11 2HG2 ILE 11 -4.793 -0.233 12.122 135 1HD1 ILE 11 3HD1 ILE 11 -0.793 1.568 10.687 136 2HD1 ILE 11 1HD1 ILE 11 0.483 1.263 11.876 137 3HD1 ILE 11 2HD1 ILE 11 0.025 -0.015 10.723 138 QG1 ILE 11 QG1 ILE 11 -1.342 0.391 12.953 139 QG2 ILE 11 QG2 ILE 11 -4.134 0.004 12.863 140 QD1 ILE 11 QD1 ILE 11 -0.095 0.938 11.096 141 H GLN 12 HN GLN 12 -4.798 -1.486 10.083 142 HA GLN 12 HA GLN 12 -6.248 -3.170 11.829 143 1HB GLN 12 2HB GLN 12 -7.495 -1.732 10.490 144 2HB GLN 12 3HB GLN 12 -6.776 -2.301 8.974 145 1HG GLN 12 2HG GLN 12 -8.007 -4.259 8.932 146 2HG GLN 12 3HG GLN 12 -8.239 -4.298 10.690 147 1HE2 GLN 12 2HE2 GLN 12 -11.344 -2.717 10.647 148 2HE2 GLN 12 1HE2 GLN 12 -10.117 -3.576 11.556 149 QB GLN 12 QB GLN 12 -7.136 -2.016 9.732 150 QG GLN 12 QG GLN 12 -8.124 -4.279 9.811 151 QE2 GLN 12 QE2 GLN 12 -10.731 -3.147 11.102 152 H LEU 13 HN LEU 13 -4.595 -4.055 8.777 153 HA LEU 13 HA LEU 13 -5.168 -6.888 8.968 154 1HB LEU 13 2HB LEU 13 -3.381 -5.069 7.384 155 2HB LEU 13 3HB LEU 13 -2.798 -6.703 7.556 156 HG LEU 13 HG LEU 13 -4.262 -6.088 5.519 157 1HD1 LEU 13 1HD1 LEU 13 -4.325 -8.552 7.234 158 2HD1 LEU 13 2HD1 LEU 13 -5.406 -8.479 5.824 159 3HD1 LEU 13 3HD1 LEU 13 -3.653 -8.287 5.611 160 1HD2 LEU 13 3HD2 LEU 13 -6.150 -5.087 6.886 161 2HD2 LEU 13 1HD2 LEU 13 -6.608 -6.287 5.662 162 3HD2 LEU 13 2HD2 LEU 13 -6.589 -6.747 7.364 163 QB LEU 13 QB LEU 13 -3.089 -5.886 7.470 164 QD1 LEU 13 QD1 LEU 13 -4.461 -8.440 6.223 165 QD2 LEU 13 QD2 LEU 13 -6.449 -6.040 6.637 166 QQD LEU 13 QQD LEU 13 -5.455 -7.240 6.430 167 H GLY 14 HN GLY 14 -3.018 -4.893 10.779 168 1HA GLY 14 1HA GLY 14 -1.744 -5.402 12.594 169 2HA GLY 14 2HA GLY 14 -2.332 -7.075 12.543 170 QA GLY 14 QA GLY 14 -2.038 -6.238 12.569 171 H LEU 15 HN LEU 15 -0.795 -5.385 9.825 172 HA LEU 15 HA LEU 15 1.610 -7.169 10.076 173 1HB LEU 15 2HB LEU 15 0.323 -6.161 7.514 174 2HB LEU 15 3HB LEU 15 1.770 -7.163 7.652 175 HG LEU 15 HG LEU 15 -1.088 -7.964 8.326 176 1HD1 LEU 15 3HD1 LEU 15 -0.436 -7.906 5.920 177 2HD1 LEU 15 1HD1 LEU 15 0.893 -9.033 6.274 178 3HD1 LEU 15 2HD1 LEU 15 -0.795 -9.544 6.496 179 1HD2 LEU 15 2HD2 LEU 15 1.530 -9.427 8.858 180 2HD2 LEU 15 3HD2 LEU 15 0.175 -9.134 9.972 181 3HD2 LEU 15 1HD2 LEU 15 -0.014 -10.285 8.652 182 QB LEU 15 QB LEU 15 1.046 -6.662 7.583 183 QD1 LEU 15 QD1 LEU 15 -0.113 -8.828 6.230 184 QD2 LEU 15 QD2 LEU 15 0.563 -9.615 9.160 185 QQD LEU 15 QQD LEU 15 0.226 -9.222 7.695 186 H ASN 16 HN ASN 16 3.468 -6.209 8.871 187 HA ASN 16 HA ASN 16 3.709 -3.272 9.413 188 1HB ASN 16 2HB ASN 16 6.066 -3.626 9.832 189 2HB ASN 16 3HB ASN 16 5.100 -4.602 10.948 190 1HD2 ASN 16 2HD2 ASN 16 6.056 -7.736 9.612 191 2HD2 ASN 16 1HD2 ASN 16 4.880 -6.792 10.540 192 QB ASN 16 QB ASN 16 5.583 -4.114 10.389 193 QD2 ASN 16 QD2 ASN 16 5.468 -7.264 10.076 194 H GLN 17 HN GLN 17 5.584 -2.475 8.121 195 HA GLN 17 HA GLN 17 4.752 -2.432 5.368 196 1HB GLN 17 2HB GLN 17 7.115 -1.329 6.876 197 2HB GLN 17 3HB GLN 17 6.946 -1.136 5.109 198 1HG GLN 17 2HG GLN 17 5.010 0.181 5.384 199 2HG GLN 17 3HG GLN 17 4.906 -0.193 7.135 200 1HE2 GLN 17 2HE2 GLN 17 6.851 3.072 6.138 201 2HE2 GLN 17 1HE2 GLN 17 5.482 2.410 5.297 202 QB GLN 17 QB GLN 17 7.030 -1.233 5.992 203 QG GLN 17 QG GLN 17 4.958 -0.006 6.260 204 QE2 GLN 17 QE2 GLN 17 6.166 2.742 5.717 205 H ALA 18 HN ALA 18 7.279 -4.324 7.043 206 HA ALA 18 HA ALA 18 8.609 -5.147 4.615 207 1HB ALA 18 3HB ALA 18 9.347 -5.189 7.220 208 2HB ALA 18 1HB ALA 18 8.766 -6.860 7.065 209 3HB ALA 18 2HB ALA 18 10.037 -6.259 5.988 210 QB ALA 18 QB ALA 18 9.383 -6.102 6.758 211 H GLU 19 HN GLU 19 6.375 -6.812 6.935 212 HA GLU 19 HA GLU 19 5.860 -9.072 5.353 213 1HB GLU 19 2HB GLU 19 4.400 -7.675 7.557 214 2HB GLU 19 3HB GLU 19 3.464 -8.794 6.562 215 1HG GLU 19 2HG GLU 19 4.445 -9.915 8.525 216 2HG GLU 19 3HG GLU 19 4.954 -10.628 6.984 217 QB GLU 19 QB GLU 19 3.932 -8.234 7.060 218 QG GLU 19 QG GLU 19 4.699 -10.271 7.754 219 H LEU 20 HN LEU 20 4.250 -5.878 5.195 220 HA LEU 20 HA LEU 20 2.387 -6.813 3.220 221 1HB LEU 20 2HB LEU 20 2.199 -4.665 4.617 222 2HB LEU 20 3HB LEU 20 3.281 -3.931 3.408 223 HG LEU 20 HG LEU 20 1.533 -5.084 1.715 224 1HD1 LEU 20 1HD1 LEU 20 0.322 -6.196 3.709 225 2HD1 LEU 20 2HD1 LEU 20 -0.283 -4.583 4.095 226 3HD1 LEU 20 3HD1 LEU 20 -0.690 -5.345 2.538 227 1HD2 LEU 20 1HD2 LEU 20 1.955 -2.624 1.974 228 2HD2 LEU 20 2HD2 LEU 20 0.313 -3.095 1.503 229 3HD2 LEU 20 3HD2 LEU 20 0.613 -2.584 3.158 230 QB LEU 20 QB LEU 20 2.740 -4.298 4.012 231 QD1 LEU 20 QD1 LEU 20 -0.217 -5.375 3.448 232 QD2 LEU 20 QD2 LEU 20 0.960 -2.768 2.212 233 QQD LEU 20 QQD LEU 20 0.371 -4.071 2.830 234 H ALA 21 HN ALA 21 5.578 -5.147 2.943 235 HA ALA 21 HA ALA 21 5.691 -4.990 0.151 236 1HB ALA 21 2HB ALA 21 7.930 -5.481 2.161 237 2HB ALA 21 3HB ALA 21 8.134 -5.052 0.460 238 3HB ALA 21 1HB ALA 21 7.319 -3.925 1.573 239 QB ALA 21 QB ALA 21 7.794 -4.819 1.398 240 H GLN 22 HN GLN 22 6.822 -7.735 2.202 241 HA GLN 22 HA GLN 22 7.519 -9.282 -0.154 242 1HB GLN 22 2HB GLN 22 7.511 -11.266 1.411 243 2HB GLN 22 3HB GLN 22 8.709 -9.998 1.674 244 1HG GLN 22 2HG GLN 22 7.882 -9.399 3.697 245 2HG GLN 22 3HG GLN 22 6.208 -9.621 3.176 246 1HE2 GLN 22 2HE2 GLN 22 7.810 -12.453 5.464 247 2HE2 GLN 22 1HE2 GLN 22 8.461 -10.851 5.296 248 QB GLN 22 QB GLN 22 8.110 -10.632 1.543 249 QG GLN 22 QG GLN 22 7.045 -9.510 3.436 250 QE2 GLN 22 QE2 GLN 22 8.136 -11.652 5.380 251 H LYS 23 HN LYS 23 4.500 -9.136 1.826 252 HA LYS 23 HA LYS 23 3.135 -11.235 0.458 253 1HB LYS 23 2HB LYS 23 2.173 -8.684 1.782 254 2HB LYS 23 3HB LYS 23 1.066 -9.866 1.110 255 1HG LYS 23 2HG LYS 23 3.144 -10.951 2.985 256 2HG LYS 23 3HG LYS 23 1.944 -9.852 3.687 257 1HD LYS 23 2HD LYS 23 0.113 -11.224 2.637 258 2HD LYS 23 3HD LYS 23 1.316 -12.433 2.176 259 1HE LYS 23 2HE LYS 23 0.743 -11.440 5.031 260 2HE LYS 23 3HE LYS 23 0.045 -12.900 4.325 261 1HZ LYS 23 3HZ LYS 23 2.938 -12.458 4.713 262 2HZ LYS 23 1HZ LYS 23 1.967 -13.350 5.696 263 3HZ LYS 23 2HZ LYS 23 2.225 -13.829 4.145 264 QB LYS 23 QB LYS 23 1.619 -9.275 1.446 265 QG LYS 23 QG LYS 23 2.544 -10.401 3.335 266 QD LYS 23 QD LYS 23 0.715 -11.828 2.406 267 QE LYS 23 QE LYS 23 0.394 -12.169 4.678 268 QZ LYS 23 QZ LYS 23 2.376 -13.212 4.851 269 H VAL 24 HN VAL 24 3.563 -7.787 -0.368 270 HA VAL 24 HA VAL 24 1.956 -7.932 -2.784 271 HB VAL 24 HB VAL 24 3.914 -5.901 -1.624 272 1HG1 VAL 24 3HG1 VAL 24 2.249 -5.612 -4.141 273 2HG1 VAL 24 1HG1 VAL 24 3.167 -4.321 -3.345 274 3HG1 VAL 24 2HG1 VAL 24 4.026 -5.664 -4.099 275 1HG2 VAL 24 2HG2 VAL 24 0.910 -6.220 -1.884 276 2HG2 VAL 24 3HG2 VAL 24 1.845 -5.890 -0.423 277 3HG2 VAL 24 1HG2 VAL 24 1.650 -4.637 -1.647 278 QG1 VAL 24 QG1 VAL 24 3.147 -5.199 -3.861 279 QG2 VAL 24 QG2 VAL 24 1.468 -5.583 -1.318 280 QQG VAL 24 QQG VAL 24 2.307 -5.391 -2.590 281 H GLY 25 HN GLY 25 5.346 -8.523 -2.005 282 1HA GLY 25 1HA GLY 25 6.841 -9.750 -3.333 283 2HA GLY 25 2HA GLY 25 5.779 -9.600 -4.744 284 QA GLY 25 QA GLY 25 6.309 -9.676 -4.039 285 H THR 26 HN THR 26 6.970 -7.128 -2.464 286 HA THR 26 HA THR 26 8.878 -6.047 -4.415 287 HB THR 26 HB THR 26 6.763 -4.858 -4.912 288 HG1 THR 26 1HG THR 26 8.578 -3.671 -5.228 289 1HG2 THR 26 2HG2 THR 26 5.839 -4.960 -2.504 290 2HG2 THR 26 3HG2 THR 26 6.890 -3.575 -2.160 291 3HG2 THR 26 1HG2 THR 26 5.631 -3.440 -3.399 292 QG2 THR 26 QG2 THR 26 6.120 -3.991 -2.687 293 H THR 27 HN THR 27 9.175 -3.681 -2.738 294 HA THR 27 HA THR 27 10.329 -4.870 -0.233 295 HB THR 27 HB THR 27 12.156 -3.107 -0.628 296 HG1 THR 27 1HG THR 27 12.398 -2.781 -2.991 297 1HG2 THR 27 3HG2 THR 27 12.396 -5.626 -0.947 298 2HG2 THR 27 1HG2 THR 27 12.006 -5.390 -2.662 299 3HG2 THR 27 2HG2 THR 27 13.471 -4.655 -1.970 300 QG2 THR 27 QG2 THR 27 12.625 -5.224 -1.860 301 H GLN 28 HN GLN 28 10.363 -3.484 1.566 302 HA GLN 28 HA GLN 28 8.181 -1.869 2.047 303 1HB GLN 28 2HB GLN 28 9.461 -2.743 3.808 304 2HB GLN 28 3HB GLN 28 10.934 -1.901 3.310 305 1HG GLN 28 2HG GLN 28 8.545 -0.173 3.921 306 2HG GLN 28 3HG GLN 28 9.276 -1.031 5.286 307 1HE2 GLN 28 2HE2 GLN 28 12.265 0.863 5.307 308 2HE2 GLN 28 1HE2 GLN 28 11.521 -0.643 5.832 309 QB GLN 28 QB GLN 28 10.198 -2.322 3.559 310 QG GLN 28 QG GLN 28 8.910 -0.602 4.604 311 QE2 GLN 28 QE2 GLN 28 11.893 0.109 5.570 312 H GLN 29 HN GLN 29 11.297 -0.844 0.655 313 HA GLN 29 HA GLN 29 10.972 1.878 0.573 314 1HB GLN 29 2HB GLN 29 12.556 -0.101 -0.822 315 2HB GLN 29 3HB GLN 29 11.867 0.945 -2.045 316 1HG GLN 29 2HG GLN 29 12.783 2.787 -0.117 317 2HG GLN 29 3HG GLN 29 13.972 1.485 -0.053 318 1HE2 GLN 29 2HE2 GLN 29 13.582 3.873 -3.389 319 2HE2 GLN 29 1HE2 GLN 29 12.394 3.917 -2.091 320 QB GLN 29 QB GLN 29 12.212 0.422 -1.434 321 QG GLN 29 QG GLN 29 13.377 2.135 -0.085 322 QE2 GLN 29 QE2 GLN 29 12.988 3.894 -2.740 323 H SER 30 HN SER 30 9.376 -0.482 -1.598 324 HA SER 30 HA SER 30 8.211 1.476 -3.370 325 1HB SER 30 2HB SER 30 7.768 -1.448 -2.885 326 2HB SER 30 3HB SER 30 6.577 -0.527 -3.770 327 HG SER 30 HG SER 30 9.345 -0.680 -4.363 328 QB SER 30 QB SER 30 7.173 -0.987 -3.327 329 H ILE 31 HN ILE 31 7.198 0.044 -0.235 330 HA ILE 31 HA ILE 31 4.578 1.233 -0.315 331 HB ILE 31 HB ILE 31 6.279 -0.102 1.847 332 1HG1 ILE 31 2HG1 ILE 31 4.541 -1.821 1.601 333 2HG1 ILE 31 3HG1 ILE 31 3.850 -0.899 0.232 334 1HG2 ILE 31 3HG2 ILE 31 3.416 0.875 1.972 335 2HG2 ILE 31 1HG2 ILE 31 4.264 -0.141 3.176 336 3HG2 ILE 31 2HG2 ILE 31 4.806 1.509 2.884 337 1HD1 ILE 31 1HD1 ILE 31 6.595 -2.135 0.235 338 2HD1 ILE 31 2HD1 ILE 31 5.122 -2.928 -0.369 339 3HD1 ILE 31 3HD1 ILE 31 5.699 -1.486 -1.173 340 QG1 ILE 31 QG1 ILE 31 4.195 -1.359 0.916 341 QG2 ILE 31 QG2 ILE 31 4.162 0.748 2.678 342 QD1 ILE 31 QD1 ILE 31 5.805 -2.184 -0.435 343 H GLU 32 HN GLU 32 7.661 2.017 1.346 344 HA GLU 32 HA GLU 32 6.947 4.380 2.651 345 1HB GLU 32 2HB GLU 32 9.107 3.376 2.972 346 2HB GLU 32 3HB GLU 32 9.538 3.601 1.272 347 1HG GLU 32 2HG GLU 32 9.518 6.081 1.606 348 2HG GLU 32 3HG GLU 32 9.115 5.821 3.313 349 QB GLU 32 QB GLU 32 9.323 3.488 2.122 350 QG GLU 32 QG GLU 32 9.317 5.951 2.460 351 H GLN 33 HN GLN 33 8.305 4.123 -0.689 352 HA GLN 33 HA GLN 33 8.068 6.841 -1.311 353 1HB GLN 33 2HB GLN 33 8.354 6.267 -3.591 354 2HB GLN 33 3HB GLN 33 9.308 5.148 -2.597 355 1HG GLN 33 2HG GLN 33 7.648 3.470 -2.902 356 2HG GLN 33 3HG GLN 33 6.605 4.525 -3.876 357 1HE2 GLN 33 2HE2 GLN 33 10.120 3.177 -5.572 358 2HE2 GLN 33 1HE2 GLN 33 10.047 3.423 -3.834 359 QB GLN 33 QB GLN 33 8.831 5.708 -3.093 360 QG GLN 33 QG GLN 33 7.126 3.997 -3.389 361 QE2 GLN 33 QE2 GLN 33 10.084 3.300 -4.702 362 H LEU 34 HN LEU 34 5.691 4.244 -1.666 363 HA LEU 34 HA LEU 34 3.690 5.899 -2.839 364 1HB LEU 34 2HB LEU 34 3.732 3.369 -2.845 365 2HB LEU 34 3HB LEU 34 3.105 3.418 -1.192 366 HG LEU 34 HG LEU 34 1.077 4.606 -1.997 367 1HD1 LEU 34 2HD1 LEU 34 2.540 4.527 -4.667 368 2HD1 LEU 34 3HD1 LEU 34 0.769 4.617 -4.595 369 3HD1 LEU 34 1HD1 LEU 34 1.737 5.909 -3.885 370 1HD2 LEU 34 1HD2 LEU 34 1.164 2.118 -1.990 371 2HD2 LEU 34 2HD2 LEU 34 0.108 2.745 -3.271 372 3HD2 LEU 34 3HD2 LEU 34 1.731 2.147 -3.676 373 QB LEU 34 QB LEU 34 3.419 3.394 -2.018 374 QD1 LEU 34 QD1 LEU 34 1.682 5.018 -4.382 375 QD2 LEU 34 QD2 LEU 34 1.001 2.336 -2.979 376 QQD LEU 34 QQD LEU 34 1.341 3.677 -3.680 377 H GLU 35 HN GLU 35 4.297 5.055 0.579 378 HA GLU 35 HA GLU 35 2.207 6.408 1.815 379 1HB GLU 35 2HB GLU 35 4.982 5.602 2.639 380 2HB GLU 35 3HB GLU 35 4.148 6.757 3.660 381 1HG GLU 35 2HG GLU 35 2.422 5.238 4.191 382 2HG GLU 35 3HG GLU 35 2.836 4.143 2.845 383 QB GLU 35 QB GLU 35 4.565 6.180 3.149 384 QG GLU 35 QG GLU 35 2.629 4.690 3.518 385 H ASN 36 HN ASN 36 5.497 7.828 1.057 386 HA ASN 36 HA ASN 36 4.315 10.491 1.700 387 1HB ASN 36 2HB ASN 36 6.470 11.424 1.400 388 2HB ASN 36 3HB ASN 36 6.568 10.023 2.480 389 1HD2 ASN 36 2HD2 ASN 36 9.397 9.737 0.087 390 2HD2 ASN 36 1HD2 ASN 36 8.910 10.955 1.258 391 QB ASN 36 QB ASN 36 6.519 10.724 1.941 392 QD2 ASN 36 QD2 ASN 36 9.153 10.346 0.673 393 H GLY 37 HN GLY 37 3.580 8.700 -0.803 394 1HA GLY 37 1HA GLY 37 2.684 9.187 -2.815 395 2HA GLY 37 2HA GLY 37 2.628 10.865 -2.261 396 QA GLY 37 QA GLY 37 2.655 10.026 -2.538 397 H LYS 38 HN LYS 38 5.308 8.664 -3.204 398 HA LYS 38 HA LYS 38 6.376 10.714 -5.089 399 1HB LYS 38 2HB LYS 38 7.511 8.165 -3.943 400 2HB LYS 38 3HB LYS 38 8.341 9.144 -5.154 401 1HG LYS 38 2HG LYS 38 7.658 11.010 -3.156 402 2HG LYS 38 3HG LYS 38 7.994 9.531 -2.268 403 1HD LYS 38 2HD LYS 38 10.045 10.642 -2.344 404 2HD LYS 38 3HD LYS 38 10.200 9.332 -3.528 405 1HE LYS 38 2HE LYS 38 9.877 10.885 -5.391 406 2HE LYS 38 3HE LYS 38 9.329 12.165 -4.297 407 1HZ LYS 38 1HZ LYS 38 11.564 12.179 -3.342 408 2HZ LYS 38 2HZ LYS 38 12.070 11.126 -4.505 409 3HZ LYS 38 3HZ LYS 38 11.513 12.618 -4.924 410 QB LYS 38 QB LYS 38 7.925 8.655 -4.549 411 QG LYS 38 QG LYS 38 7.826 10.271 -2.711 412 QD LYS 38 QD LYS 38 10.122 9.987 -2.936 413 QE LYS 38 QE LYS 38 9.604 11.525 -4.844 414 QZ LYS 38 QZ LYS 38 11.715 11.975 -4.256 415 H THR 39 HN THR 39 4.190 8.154 -5.368 416 HA THR 39 HA THR 39 4.901 7.826 -8.236 417 HB THR 39 HB THR 39 4.330 5.548 -6.290 418 HG1 THR 39 1HG THR 39 6.478 5.018 -6.783 419 1HG2 THR 39 2HG2 THR 39 4.698 5.623 -9.326 420 2HG2 THR 39 3HG2 THR 39 4.819 4.150 -8.360 421 3HG2 THR 39 1HG2 THR 39 3.285 5.034 -8.423 422 QG2 THR 39 QG2 THR 39 4.268 4.936 -8.703 423 H LYS 40 HN LYS 40 3.166 7.828 -9.560 424 HA LYS 40 HA LYS 40 0.552 8.521 -8.411 425 1HB LYS 40 2HB LYS 40 1.693 8.492 -11.232 426 2HB LYS 40 3HB LYS 40 -0.038 8.724 -10.905 427 1HG LYS 40 2HG LYS 40 0.436 10.594 -9.412 428 2HG LYS 40 3HG LYS 40 2.165 10.454 -9.687 429 1HD LYS 40 2HD LYS 40 0.110 11.071 -11.895 430 2HD LYS 40 3HD LYS 40 0.883 12.282 -10.889 431 1HE LYS 40 2HE LYS 40 2.314 12.407 -12.645 432 2HE LYS 40 3HE LYS 40 3.161 11.214 -11.664 433 1HZ LYS 40 1HZ LYS 40 1.497 9.755 -13.250 434 2HZ LYS 40 2HZ LYS 40 1.996 10.973 -14.240 435 3HZ LYS 40 3HZ LYS 40 3.104 10.009 -13.510 436 QB LYS 40 QB LYS 40 0.827 8.608 -11.069 437 QG LYS 40 QG LYS 40 1.301 10.524 -9.550 438 QD LYS 40 QD LYS 40 0.496 11.676 -11.393 439 QE LYS 40 QE LYS 40 2.738 11.810 -12.154 440 QZ LYS 40 QZ LYS 40 2.199 10.246 -13.666 441 NH1 ARG 41 NH2 ARG 41 -3.987 4.630 -13.623 442 NH2 ARG 41 NH1 ARG 41 -5.564 2.942 -13.778 443 H ARG 41 HN ARG 41 1.628 6.044 -10.822 444 HA ARG 41 HA ARG 41 -0.439 4.185 -9.715 445 1HB ARG 41 2HB ARG 41 -1.179 5.424 -11.818 446 2HB ARG 41 3HB ARG 41 0.087 4.555 -12.664 447 1HG ARG 41 2HG ARG 41 -1.677 3.161 -13.052 448 2HG ARG 41 3HG ARG 41 -1.033 2.385 -11.613 449 1HD ARG 41 2HD ARG 41 -2.840 2.991 -10.299 450 2HD ARG 41 3HD ARG 41 -3.082 4.528 -11.104 451 HE ARG 41 HE ARG 41 -4.406 2.065 -11.703 452 1HH1 ARG 41 2HH2 ARG 41 -3.182 5.018 -13.154 453 2HH1 ARG 41 1HH2 ARG 41 -4.354 5.102 -14.435 454 1HH2 ARG 41 2HH1 ARG 41 -5.980 2.088 -13.433 455 2HH2 ARG 41 1HH1 ARG 41 -5.959 3.361 -14.607 456 QB ARG 41 QB ARG 41 -0.546 4.989 -12.241 457 QG ARG 41 QG ARG 41 -1.355 2.773 -12.332 458 QD ARG 41 QD ARG 41 -2.961 3.759 -10.701 459 QH1 ARG 41 QH2 ARG 41 -3.768 5.060 -13.794 460 QH2 ARG 41 QH1 ARG 41 -5.969 2.724 -14.020 461 HA PRO 42 HA PRO 42 3.712 2.153 -10.063 462 1HB PRO 42 2HB PRO 42 3.369 0.519 -7.830 463 2HB PRO 42 3HB PRO 42 4.148 2.115 -7.805 464 1HG PRO 42 2HG PRO 42 1.473 1.290 -6.866 465 2HG PRO 42 3HG PRO 42 2.444 2.690 -6.353 466 1HD PRO 42 2HD PRO 42 0.228 2.721 -8.183 467 2HD PRO 42 3HD PRO 42 1.288 4.056 -7.830 468 QB PRO 42 QB PRO 42 3.758 1.317 -7.817 469 QG PRO 42 QG PRO 42 1.959 1.991 -6.609 470 QD PRO 42 QD PRO 42 0.759 3.389 -8.007 471 NH1 ARG 43 NH2 ARG 43 7.674 -4.840 -11.488 472 NH2 ARG 43 NH1 ARG 43 8.506 -5.347 -9.387 473 H ARG 43 HN ARG 43 4.228 -0.086 -10.568 474 HA ARG 43 HA ARG 43 2.106 -1.522 -11.841 475 1HB ARG 43 2HB ARG 43 3.719 -3.222 -12.321 476 2HB ARG 43 3HB ARG 43 4.483 -1.649 -12.516 477 1HG ARG 43 2HG ARG 43 6.154 -2.634 -11.380 478 2HG ARG 43 3HG ARG 43 5.258 -2.120 -9.959 479 1HD ARG 43 2HD ARG 43 4.238 -4.375 -9.736 480 2HD ARG 43 3HD ARG 43 4.940 -4.901 -11.244 481 HE ARG 43 HE ARG 43 6.128 -4.889 -8.655 482 1HH1 ARG 43 2HH2 ARG 43 6.887 -4.573 -12.063 483 2HH1 ARG 43 1HH2 ARG 43 8.559 -5.033 -11.932 484 1HH2 ARG 43 2HH1 ARG 43 8.365 -5.486 -8.396 485 2HH2 ARG 43 1HH1 ARG 43 9.421 -5.533 -9.771 486 QB ARG 43 QB ARG 43 4.101 -2.436 -12.419 487 QG ARG 43 QG ARG 43 5.705 -2.377 -10.670 488 QD ARG 43 QD ARG 43 4.589 -4.638 -10.489 489 QH1 ARG 43 QH2 ARG 43 7.724 -4.804 -11.998 490 QH2 ARG 43 QH1 ARG 43 8.893 -5.509 -9.083 491 H PHE 44 HN PHE 44 3.418 -1.627 -8.593 492 HA PHE 44 HA PHE 44 1.946 -4.092 -7.951 493 1HB PHE 44 2HB PHE 44 3.077 -4.002 -5.857 494 2HB PHE 44 3HB PHE 44 4.251 -3.832 -7.142 495 HD1 PHE 44 1HD PHE 44 2.545 -2.135 -4.335 496 HD2 PHE 44 2HD PHE 44 5.543 -1.702 -7.396 497 HE1 PHE 44 1HE PHE 44 3.105 0.113 -3.460 498 HE2 PHE 44 2HE PHE 44 6.120 0.539 -6.494 499 HZ PHE 44 HZ PHE 44 4.837 1.483 -4.591 500 QB PHE 44 QB PHE 44 3.664 -3.917 -6.499 501 QR PHE 44 QR PHE 44 4.329 -0.797 -5.421 502 H LEU 45 HN LEU 45 0.768 -1.156 -8.455 503 HA LEU 45 HA LEU 45 -0.530 -0.549 -6.007 504 1HB LEU 45 2HB LEU 45 -0.289 0.723 -8.271 505 2HB LEU 45 3HB LEU 45 -1.795 -0.031 -8.704 506 HG LEU 45 HG LEU 45 -2.183 2.173 -7.942 507 1HD1 LEU 45 2HD1 LEU 45 -3.705 0.315 -7.382 508 2HD1 LEU 45 3HD1 LEU 45 -3.100 0.388 -5.714 509 3HD1 LEU 45 1HD1 LEU 45 -3.918 1.802 -6.422 510 1HD2 LEU 45 3HD2 LEU 45 -0.375 1.612 -5.645 511 2HD2 LEU 45 1HD2 LEU 45 -0.844 3.161 -6.385 512 3HD2 LEU 45 2HD2 LEU 45 -1.882 2.404 -5.210 513 QB LEU 45 QB LEU 45 -1.042 0.346 -8.488 514 QD1 LEU 45 QD1 LEU 45 -3.574 0.835 -6.506 515 QD2 LEU 45 QD2 LEU 45 -1.034 2.392 -5.746 516 QQD LEU 45 QQD LEU 45 -2.305 1.614 -6.127 517 HA PRO 46 HA PRO 46 -4.159 -3.427 -7.317 518 1HB PRO 46 2HB PRO 46 -3.633 -5.499 -9.055 519 2HB PRO 46 3HB PRO 46 -4.364 -3.942 -9.510 520 1HG PRO 46 2HG PRO 46 -1.599 -4.898 -10.014 521 2HG PRO 46 3HG PRO 46 -2.553 -3.681 -10.899 522 1HD PRO 46 2HD PRO 46 -0.539 -3.294 -8.955 523 2HD PRO 46 3HD PRO 46 -1.532 -2.007 -9.691 524 QB PRO 46 QB PRO 46 -3.998 -4.720 -9.283 525 QG PRO 46 QG PRO 46 -2.075 -4.289 -10.456 526 QD PRO 46 QD PRO 46 -1.036 -2.651 -9.323 527 H GLU 47 HN GLU 47 -0.875 -4.857 -7.417 528 HA GLU 47 HA GLU 47 -1.440 -7.178 -5.937 529 1HB GLU 47 2HB GLU 47 1.114 -5.512 -6.055 530 2HB GLU 47 3HB GLU 47 0.998 -7.203 -5.538 531 1HG GLU 47 2HG GLU 47 0.232 -7.839 -7.796 532 2HG GLU 47 3HG GLU 47 0.351 -6.167 -8.353 533 QB GLU 47 QB GLU 47 1.056 -6.357 -5.796 534 QG GLU 47 QG GLU 47 0.291 -7.003 -8.074 535 H LEU 48 HN LEU 48 -0.399 -3.928 -4.823 536 HA LEU 48 HA LEU 48 -0.521 -4.573 -2.035 537 1HB LEU 48 2HB LEU 48 0.860 -2.817 -3.131 538 2HB LEU 48 3HB LEU 48 -0.582 -1.819 -3.315 539 HG LEU 48 HG LEU 48 -0.276 -2.766 -0.550 540 1HD1 LEU 48 1HD1 LEU 48 2.114 -1.291 -1.755 541 2HD1 LEU 48 2HD1 LEU 48 1.728 -1.309 -0.025 542 3HD1 LEU 48 3HD1 LEU 48 2.160 -2.802 -0.827 543 1HD2 LEU 48 2HD2 LEU 48 -0.220 -0.001 -1.820 544 2HD2 LEU 48 3HD2 LEU 48 -1.582 -0.829 -1.017 545 3HD2 LEU 48 1HD2 LEU 48 -0.211 -0.301 -0.069 546 QB LEU 48 QB LEU 48 0.139 -2.318 -3.223 547 QD1 LEU 48 QD1 LEU 48 2.001 -1.801 -0.869 548 QD2 LEU 48 QD2 LEU 48 -0.671 -0.377 -0.969 549 QQD LEU 48 QQD LEU 48 0.665 -1.089 -0.919 550 H ALA 49 HN ALA 49 -2.875 -2.954 -4.205 551 HA ALA 49 HA ALA 49 -4.908 -2.434 -2.318 552 1HB ALA 49 1HB ALA 49 -4.937 -3.207 -5.246 553 2HB ALA 49 2HB ALA 49 -6.448 -3.036 -4.364 554 3HB ALA 49 3HB ALA 49 -5.383 -1.656 -4.519 555 QB ALA 49 QB ALA 49 -5.589 -2.633 -4.710 556 H SER 50 HN SER 50 -4.387 -5.422 -4.235 557 HA SER 50 HA SER 50 -6.572 -6.762 -2.997 558 1HB SER 50 2HB SER 50 -5.227 -7.223 -5.254 559 2HB SER 50 3HB SER 50 -4.321 -8.344 -4.224 560 HG SER 50 HG SER 50 -6.447 -9.220 -3.661 561 QB SER 50 QB SER 50 -4.774 -7.784 -4.739 562 H ALA 51 HN ALA 51 -3.020 -6.873 -2.388 563 HA ALA 51 HA ALA 51 -3.011 -8.829 -0.373 564 1HB ALA 51 3HB ALA 51 -0.976 -7.960 -1.440 565 2HB ALA 51 1HB ALA 51 -1.226 -6.380 -0.660 566 3HB ALA 51 2HB ALA 51 -0.869 -7.814 0.322 567 QB ALA 51 QB ALA 51 -1.024 -7.384 -0.593 568 H LEU 52 HN LEU 52 -3.501 -5.278 -0.073 569 HA LEU 52 HA LEU 52 -3.898 -5.438 2.818 570 1HB LEU 52 2HB LEU 52 -4.138 -3.294 0.696 571 2HB LEU 52 3HB LEU 52 -4.922 -3.053 2.241 572 HG LEU 52 HG LEU 52 -1.958 -3.586 1.928 573 1HD1 LEU 52 2HD1 LEU 52 -3.573 -1.039 2.352 574 2HD1 LEU 52 3HD1 LEU 52 -1.823 -1.156 2.628 575 3HD1 LEU 52 1HD1 LEU 52 -2.491 -1.439 1.012 576 1HD2 LEU 52 3HD2 LEU 52 -3.719 -2.975 4.343 577 2HD2 LEU 52 1HD2 LEU 52 -2.606 -4.330 4.153 578 3HD2 LEU 52 2HD2 LEU 52 -1.970 -2.697 4.351 579 QB LEU 52 QB LEU 52 -4.531 -3.173 1.468 580 QD1 LEU 52 QD1 LEU 52 -2.629 -1.211 1.997 581 QD2 LEU 52 QD2 LEU 52 -2.765 -3.334 4.283 582 QQD LEU 52 QQD LEU 52 -2.697 -2.272 3.140 583 H GLY 53 HN GLY 53 -5.967 -5.691 -0.009 584 1HA GLY 53 1HA GLY 53 -8.147 -6.520 -0.080 585 2HA GLY 53 2HA GLY 53 -8.267 -6.433 1.687 586 QA GLY 53 QA GLY 53 -8.207 -6.476 0.803 587 H VAL 54 HN VAL 54 -7.641 -4.199 -1.061 588 HA VAL 54 HA VAL 54 -10.063 -2.646 -0.499 589 HB VAL 54 HB VAL 54 -8.813 -0.469 -0.587 590 1HG1 VAL 54 3HG1 VAL 54 -9.569 -1.452 1.571 591 2HG1 VAL 54 1HG1 VAL 54 -7.899 -2.064 1.810 592 3HG1 VAL 54 2HG1 VAL 54 -8.210 -0.325 1.702 593 1HG2 VAL 54 1HG2 VAL 54 -6.339 -2.246 -0.337 594 2HG2 VAL 54 2HG2 VAL 54 -6.716 -1.037 -1.591 595 3HG2 VAL 54 3HG2 VAL 54 -6.336 -0.533 0.062 596 QG1 VAL 54 QG1 VAL 54 -8.559 -1.280 1.695 597 QG2 VAL 54 QG2 VAL 54 -6.464 -1.271 -0.622 598 QQG VAL 54 QQG VAL 54 -7.512 -1.276 0.536 599 H SER 55 HN SER 55 -9.862 -0.740 -2.337 600 HA SER 55 HA SER 55 -9.455 -2.203 -4.897 601 1HB SER 55 2HB SER 55 -10.969 -0.525 -5.816 602 2HB SER 55 3HB SER 55 -11.709 -1.330 -4.426 603 HG SER 55 HG SER 55 -11.123 0.484 -3.148 604 QB SER 55 QB SER 55 -11.339 -0.927 -5.121 605 H VAL 56 HN VAL 56 -8.497 -1.088 -6.696 606 HA VAL 56 HA VAL 56 -6.049 0.255 -6.040 607 HB VAL 56 HB VAL 56 -7.517 -0.487 -8.600 608 1HG1 VAL 56 1HG1 VAL 56 -5.202 1.443 -8.442 609 2HG1 VAL 56 2HG1 VAL 56 -5.295 0.269 -9.767 610 3HG1 VAL 56 3HG1 VAL 56 -6.614 1.412 -9.491 611 1HG2 VAL 56 3HG2 VAL 56 -4.996 -1.382 -7.179 612 2HG2 VAL 56 1HG2 VAL 56 -6.443 -2.316 -7.559 613 3HG2 VAL 56 2HG2 VAL 56 -5.348 -1.822 -8.864 614 QG1 VAL 56 QG1 VAL 56 -5.704 1.042 -9.233 615 QG2 VAL 56 QG2 VAL 56 -5.596 -1.840 -7.867 616 QQG VAL 56 QQG VAL 56 -5.650 -0.399 -8.551 617 H ASP 57 HN ASP 57 -9.098 1.383 -7.526 618 HA ASP 57 HA ASP 57 -8.388 4.100 -7.914 619 1HB ASP 57 2HB ASP 57 -10.914 4.378 -7.693 620 2HB ASP 57 3HB ASP 57 -10.361 3.227 -8.921 621 QB ASP 57 QB ASP 57 -10.638 3.802 -8.307 622 CH2 TRP 58 CH2 TRP 58 -7.069 2.543 2.238 623 H TRP 58 HN TRP 58 -9.549 2.265 -5.007 624 HA TRP 58 HA TRP 58 -9.666 4.655 -3.505 625 1HB TRP 58 2HB TRP 58 -10.948 2.763 -2.728 626 2HB TRP 58 3HB TRP 58 -9.470 1.797 -2.534 627 HD1 TRP 58 HD1 TRP 58 -11.510 4.510 -0.705 628 HE1 TRP 58 HE1 TRP 58 -10.614 4.890 1.537 629 HE3 TRP 58 HE3 TRP 58 -7.264 1.616 -1.042 630 HZ2 TRP 58 HZ2 TRP 58 -8.470 3.839 3.245 631 HZ3 TRP 58 HZ3 TRP 58 -5.702 1.578 0.904 632 HH2 TRP 58 HH2 TRP 58 -6.328 2.583 3.026 633 QB TRP 58 QB TRP 58 -10.209 2.280 -2.631 634 H LEU 59 HN LEU 59 -7.150 2.155 -3.775 635 HA LEU 59 HA LEU 59 -5.315 3.294 -1.977 636 1HB LEU 59 2HB LEU 59 -5.238 1.360 -4.206 637 2HB LEU 59 3HB LEU 59 -3.755 2.298 -4.101 638 HG LEU 59 HG LEU 59 -5.005 0.725 -1.844 639 1HD1 LEU 59 3HD1 LEU 59 -3.829 -0.446 -3.817 640 2HD1 LEU 59 1HD1 LEU 59 -2.333 0.295 -3.254 641 3HD1 LEU 59 2HD1 LEU 59 -3.264 -0.815 -2.201 642 1HD2 LEU 59 1HD2 LEU 59 -3.003 2.911 -1.836 643 2HD2 LEU 59 2HD2 LEU 59 -3.762 2.074 -0.462 644 3HD2 LEU 59 3HD2 LEU 59 -2.319 1.410 -1.245 645 QB LEU 59 QB LEU 59 -4.496 1.830 -4.154 646 QD1 LEU 59 QD1 LEU 59 -3.142 -0.322 -3.091 647 QD2 LEU 59 QD2 LEU 59 -3.028 2.132 -1.181 648 QQD LEU 59 QQD LEU 59 -3.085 0.905 -2.135 649 H LEU 60 HN LEU 60 -5.996 4.169 -5.370 650 HA LEU 60 HA LEU 60 -3.945 6.247 -5.365 651 1HB LEU 60 2HB LEU 60 -6.388 5.709 -7.089 652 2HB LEU 60 3HB LEU 60 -5.445 7.181 -7.214 653 HG LEU 60 HG LEU 60 -4.870 4.509 -8.278 654 1HD1 LEU 60 1HD1 LEU 60 -3.833 7.352 -8.704 655 2HD1 LEU 60 2HD1 LEU 60 -3.155 5.996 -9.573 656 3HD1 LEU 60 3HD1 LEU 60 -4.880 6.382 -9.769 657 1HD2 LEU 60 1HD2 LEU 60 -3.283 4.228 -6.454 658 2HD2 LEU 60 2HD2 LEU 60 -2.497 4.412 -8.023 659 3HD2 LEU 60 3HD2 LEU 60 -2.488 5.767 -6.896 660 QB LEU 60 QB LEU 60 -5.916 6.445 -7.151 661 QD1 LEU 60 QD1 LEU 60 -3.956 6.576 -9.349 662 QD2 LEU 60 QD2 LEU 60 -2.757 4.802 -7.124 663 QQD LEU 60 QQD LEU 60 -3.356 5.689 -8.237 664 H ASN 61 HN ASN 61 -7.524 6.441 -4.773 665 HA ASN 61 HA ASN 61 -7.041 8.842 -3.085 666 1HB ASN 61 2HB ASN 61 -8.423 10.228 -4.825 667 2HB ASN 61 3HB ASN 61 -6.700 10.001 -4.974 668 1HD2 ASN 61 2HD2 ASN 61 -8.885 7.830 -7.707 669 2HD2 ASN 61 1HD2 ASN 61 -9.463 7.830 -6.053 670 QB ASN 61 QB ASN 61 -7.561 10.115 -4.899 671 QD2 ASN 61 QD2 ASN 61 -9.173 7.829 -6.880 672 H GLY 62 HN GLY 62 -8.456 6.441 -2.358 673 1HA GLY 62 1HA GLY 62 -11.301 7.052 -2.897 674 2HA GLY 62 2HA GLY 62 -10.646 5.683 -2.121 675 QA GLY 62 QA GLY 62 -10.974 6.368 -2.509 676 H THR 63 HN THR 63 -9.186 6.863 -0.171 677 HA THR 63 HA THR 63 -9.189 7.648 1.937 678 HB THR 63 HB THR 63 -9.776 9.766 2.245 679 HG1 THR 63 1HG THR 63 -12.043 9.544 1.453 680 1HG2 THR 63 1HG2 THR 63 -8.181 9.237 0.313 681 2HG2 THR 63 2HG2 THR 63 -9.531 9.545 -0.807 682 3HG2 THR 63 3HG2 THR 63 -8.934 10.857 0.203 683 QG2 THR 63 QG2 THR 63 -8.882 9.880 -0.097 684 H SER 64 HN SER 64 -9.990 5.984 3.139 685 HA SER 64 HA SER 64 -12.852 5.542 3.417 686 1HB SER 64 2HB SER 64 -10.454 4.353 4.893 687 2HB SER 64 3HB SER 64 -12.136 3.837 5.084 688 HG SER 64 HG SER 64 -11.290 2.524 3.537 689 QB SER 64 QB SER 64 -11.294 4.095 4.989 690 H ASP 65 HN ASP 65 -14.146 6.037 5.159 691 HA ASP 65 HA ASP 65 -13.547 7.961 7.099 692 1HB ASP 65 2HB ASP 65 -15.537 5.658 7.128 693 2HB ASP 65 3HB ASP 65 -15.608 7.105 8.147 694 QB ASP 65 QB ASP 65 -15.572 6.381 7.638 695 H SER 66 HN SER 66 -11.710 7.633 8.313 696 HA SER 66 HA SER 66 -11.846 5.631 10.460 697 1HB SER 66 2HB SER 66 -9.463 5.701 8.541 698 2HB SER 66 3HB SER 66 -9.557 4.795 10.064 699 HG SER 66 HG SER 66 -11.683 4.154 8.620 700 QB SER 66 QB SER 66 -9.511 5.248 9.302 701 H ASN 67 HN ASN 67 -11.893 7.264 11.959 702 HA ASN 67 HA ASN 67 -9.474 8.500 12.670 703 1HB ASN 67 2HB ASN 67 -10.461 10.031 10.621 704 2HB ASN 67 3HB ASN 67 -11.331 10.759 11.963 705 1HD2 ASN 67 2HD2 ASN 67 -8.065 11.607 13.594 706 2HD2 ASN 67 1HD2 ASN 67 -9.462 10.650 14.080 707 QB ASN 67 QB ASN 67 -10.896 10.395 11.292 708 QD2 ASN 67 QD2 ASN 67 -8.764 11.129 13.837 709 H VAL 68 HN VAL 68 -13.003 8.610 12.789 710 HA VAL 68 HA VAL 68 -12.949 8.821 15.759 711 HB VAL 68 HB VAL 68 -14.770 10.284 13.801 712 1HG1 VAL 68 1HG1 VAL 68 -15.403 9.366 16.435 713 2HG1 VAL 68 2HG1 VAL 68 -15.126 11.102 16.564 714 3HG1 VAL 68 3HG1 VAL 68 -16.314 10.481 15.406 715 1HG2 VAL 68 1HG2 VAL 68 -12.776 11.350 15.837 716 2HG2 VAL 68 2HG2 VAL 68 -12.621 11.438 14.070 717 3HG2 VAL 68 3HG2 VAL 68 -13.908 12.333 14.881 718 QG1 VAL 68 QG1 VAL 68 -15.614 10.316 16.135 719 QG2 VAL 68 QG2 VAL 68 -13.102 11.707 14.929 720 QQG VAL 68 QQG VAL 68 -14.358 11.012 15.532 721 NH1 ARG 69 NH2 ARG 69 -19.204 7.941 17.157 722 NH2 ARG 69 NH1 ARG 69 -18.385 10.064 17.602 723 H ARG 69 HN ARG 69 -13.083 6.560 15.716 724 HA ARG 69 HA ARG 69 -13.961 4.496 15.465 725 1HB ARG 69 2HB ARG 69 -15.865 4.177 16.895 726 2HB ARG 69 3HB ARG 69 -14.745 5.369 17.555 727 1HG ARG 69 2HG ARG 69 -16.491 7.000 16.194 728 2HG ARG 69 3HG ARG 69 -17.557 5.661 16.560 729 1HD ARG 69 2HD ARG 69 -17.608 6.191 18.836 730 2HD ARG 69 3HD ARG 69 -15.915 6.671 18.857 731 HE ARG 69 HE ARG 69 -16.476 8.811 18.643 732 1HH1 ARG 69 2HH2 ARG 69 -19.057 6.943 17.176 733 2HH1 ARG 69 1HH2 ARG 69 -20.022 8.305 16.693 734 1HH2 ARG 69 2HH1 ARG 69 -17.658 10.668 17.959 735 2HH2 ARG 69 1HH1 ARG 69 -19.185 10.489 17.156 736 QB ARG 69 QB ARG 69 -15.305 4.773 17.224 737 QG ARG 69 QG ARG 69 -17.024 6.330 16.377 738 QD ARG 69 QD ARG 69 -16.762 6.430 18.847 739 QH1 ARG 69 QH2 ARG 69 -19.539 7.624 16.934 740 QH2 ARG 69 QH1 ARG 69 -18.421 10.579 17.558 Start of MODEL 19 Raw file had 740 H/Q atoms Start of MODEL 19 1 H SER 1 HN SER 1 -4.015 10.334 4.502 2 HA SER 1 HA SER 1 -3.270 11.339 1.853 3 1HB SER 1 2HB SER 1 -1.060 11.558 2.765 4 2HB SER 1 3HB SER 1 -2.110 12.006 4.116 5 HG SER 1 HG SER 1 -0.916 10.475 5.069 6 QB SER 1 QB SER 1 -1.585 11.782 3.440 7 H ILE 2 HN ILE 2 -1.592 10.007 0.610 8 HA ILE 2 HA ILE 2 -2.181 7.264 0.196 9 HB ILE 2 HB ILE 2 -1.179 8.448 -1.504 10 1HG1 ILE 2 2HG1 ILE 2 0.599 7.178 -2.251 11 2HG1 ILE 2 3HG1 ILE 2 1.189 6.819 -0.642 12 1HG2 ILE 2 1HG2 ILE 2 0.483 9.665 0.581 13 2HG2 ILE 2 2HG2 ILE 2 1.419 9.059 -0.766 14 3HG2 ILE 2 3HG2 ILE 2 0.073 10.195 -1.042 15 1HD1 ILE 2 1HD1 ILE 2 -1.521 5.734 -1.400 16 2HD1 ILE 2 2HD1 ILE 2 -0.059 4.990 -2.061 17 3HD1 ILE 2 3HD1 ILE 2 -0.280 5.074 -0.317 18 QG1 ILE 2 QG1 ILE 2 0.894 6.999 -1.446 19 QG2 ILE 2 QG2 ILE 2 0.658 9.640 -0.409 20 QD1 ILE 2 QD1 ILE 2 -0.620 5.266 -1.259 21 H SER 3 HN SER 3 0.782 8.481 1.978 22 HA SER 3 HA SER 3 1.458 6.055 3.019 23 1HB SER 3 2HB SER 3 2.514 7.251 4.873 24 2HB SER 3 3HB SER 3 2.779 8.143 3.385 25 HG SER 3 HG SER 3 0.762 9.351 4.034 26 QB SER 3 QB SER 3 2.647 7.697 4.130 27 H SER 4 HN SER 4 -0.929 8.297 4.554 28 HA SER 4 HA SER 4 -1.640 6.524 6.586 29 1HB SER 4 2HB SER 4 -3.431 8.474 5.146 30 2HB SER 4 3HB SER 4 -3.786 7.713 6.700 31 HG SER 4 HG SER 4 -1.853 8.668 7.508 32 QB SER 4 QB SER 4 -3.608 8.093 5.923 33 NH1 ARG 5 NH2 ARG 5 -3.788 8.459 -1.728 34 NH2 ARG 5 NH1 ARG 5 -3.461 6.568 -2.978 35 H ARG 5 HN ARG 5 -3.035 6.570 3.179 36 HA ARG 5 HA ARG 5 -5.069 4.713 3.740 37 1HB ARG 5 2HB ARG 5 -3.417 5.169 1.257 38 2HB ARG 5 3HB ARG 5 -4.591 3.998 1.222 39 1HG ARG 5 2HG ARG 5 -6.326 5.470 1.071 40 2HG ARG 5 3HG ARG 5 -5.670 6.517 2.322 41 1HD ARG 5 2HD ARG 5 -5.810 7.747 0.255 42 2HD ARG 5 3HD ARG 5 -4.171 7.526 0.751 43 HE ARG 5 HE ARG 5 -4.724 5.439 -1.079 44 1HH1 ARG 5 2HH2 ARG 5 -4.224 8.924 -0.951 45 2HH1 ARG 5 1HH2 ARG 5 -3.319 9.007 -2.434 46 1HH2 ARG 5 2HH1 ARG 5 -3.818 5.674 -3.315 47 2HH2 ARG 5 1HH1 ARG 5 -2.900 7.075 -3.644 48 QB ARG 5 QB ARG 5 -4.004 4.584 1.240 49 QG ARG 5 QG ARG 5 -5.998 5.994 1.698 50 QD ARG 5 QD ARG 5 -4.990 7.637 0.503 51 QH1 ARG 5 QH2 ARG 5 -3.771 8.966 -1.692 52 QH2 ARG 5 QH1 ARG 5 -3.359 6.375 -3.479 53 H VAL 6 HN VAL 6 -1.786 4.002 2.437 54 HA VAL 6 HA VAL 6 -2.122 1.171 2.624 55 HB VAL 6 HB VAL 6 0.334 2.928 2.512 56 1HG1 VAL 6 3HG1 VAL 6 -0.058 -0.081 2.082 57 2HG1 VAL 6 1HG1 VAL 6 1.411 0.797 1.571 58 3HG1 VAL 6 2HG1 VAL 6 0.970 0.704 3.285 59 1HG2 VAL 6 1HG2 VAL 6 -1.295 3.073 0.534 60 2HG2 VAL 6 2HG2 VAL 6 0.395 2.658 0.190 61 3HG2 VAL 6 3HG2 VAL 6 -0.839 1.398 0.214 62 QG1 VAL 6 QG1 VAL 6 0.774 0.474 2.312 63 QG2 VAL 6 QG2 VAL 6 -0.580 2.377 0.313 64 QQG VAL 6 QQG VAL 6 0.097 1.424 1.313 65 H LYS 7 HN LYS 7 -0.280 3.425 4.771 66 HA LYS 7 HA LYS 7 0.513 1.595 6.677 67 1HB LYS 7 2HB LYS 7 1.286 3.969 6.459 68 2HB LYS 7 3HB LYS 7 -0.255 4.488 7.155 69 1HG LYS 7 2HG LYS 7 0.329 3.073 9.168 70 2HG LYS 7 3HG LYS 7 1.934 2.829 8.499 71 1HD LYS 7 2HD LYS 7 0.880 5.652 8.687 72 2HD LYS 7 3HD LYS 7 1.194 4.864 10.222 73 1HE LYS 7 2HE LYS 7 3.303 4.834 8.023 74 2HE LYS 7 3HE LYS 7 3.077 6.279 9.015 75 1HZ LYS 7 1HZ LYS 7 3.625 3.626 10.163 76 2HZ LYS 7 2HZ LYS 7 4.760 4.785 9.894 77 3HZ LYS 7 3HZ LYS 7 3.544 5.060 10.963 78 QB LYS 7 QB LYS 7 0.515 4.229 6.807 79 QG LYS 7 QG LYS 7 1.131 2.951 8.833 80 QD LYS 7 QD LYS 7 1.037 5.257 9.455 81 QE LYS 7 QE LYS 7 3.191 5.557 8.519 82 QZ LYS 7 QZ LYS 7 3.976 4.490 10.341 83 H SER 8 HN SER 8 -2.450 3.662 6.868 84 HA SER 8 HA SER 8 -3.546 2.691 9.265 85 1HB SER 8 2HB SER 8 -5.065 3.501 6.753 86 2HB SER 8 3HB SER 8 -5.740 3.330 8.376 87 HG SER 8 HG SER 8 -3.838 5.187 7.469 88 QB SER 8 QB SER 8 -5.402 3.416 7.564 89 H LYS 9 HN LYS 9 -3.756 1.362 5.892 90 HA LYS 9 HA LYS 9 -5.638 -0.648 6.608 91 1HB LYS 9 2HB LYS 9 -4.297 0.288 4.255 92 2HB LYS 9 3HB LYS 9 -3.830 -1.353 4.442 93 1HG LYS 9 2HG LYS 9 -6.713 -0.293 4.571 94 2HG LYS 9 3HG LYS 9 -5.961 -0.818 3.073 95 1HD LYS 9 2HD LYS 9 -6.120 -3.022 3.525 96 2HD LYS 9 3HD LYS 9 -5.713 -2.850 5.232 97 1HE LYS 9 2HE LYS 9 -8.440 -2.378 3.948 98 2HE LYS 9 3HE LYS 9 -7.909 -3.832 4.805 99 1HZ LYS 9 3HZ LYS 9 -7.389 -1.776 6.505 100 2HZ LYS 9 1HZ LYS 9 -8.886 -1.437 5.893 101 3HZ LYS 9 2HZ LYS 9 -8.602 -2.881 6.631 102 QB LYS 9 QB LYS 9 -4.064 -0.532 4.348 103 QG LYS 9 QG LYS 9 -6.336 -0.555 3.822 104 QD LYS 9 QD LYS 9 -5.917 -2.936 4.378 105 QE LYS 9 QE LYS 9 -8.174 -3.105 4.377 106 QZ LYS 9 QZ LYS 9 -8.293 -2.032 6.343 107 NH1 ARG 10 NH2 ARG 10 2.185 -1.210 4.516 108 NH2 ARG 10 NH1 ARG 10 2.812 0.784 5.530 109 H ARG 10 HN ARG 10 -2.091 -0.596 6.326 110 HA ARG 10 HA ARG 10 -1.529 -3.221 7.088 111 1HB ARG 10 2HB ARG 10 -0.044 -0.941 6.489 112 2HB ARG 10 3HB ARG 10 0.347 -1.202 8.196 113 1HG ARG 10 2HG ARG 10 0.659 -3.712 7.480 114 2HG ARG 10 3HG ARG 10 0.661 -3.062 5.845 115 1HD ARG 10 2HD ARG 10 2.608 -2.660 8.088 116 2HD ARG 10 3HD ARG 10 2.922 -3.184 6.423 117 HE ARG 10 HE ARG 10 3.158 -0.615 7.516 118 1HH1 ARG 10 2HH2 ARG 10 2.009 -2.199 4.598 119 2HH1 ARG 10 1HH2 ARG 10 2.147 -0.779 3.605 120 1HH2 ARG 10 2HH1 ARG 10 3.107 1.323 6.326 121 2HH2 ARG 10 1HH1 ARG 10 2.525 1.349 4.728 122 QB ARG 10 QB ARG 10 0.151 -1.072 7.342 123 QG ARG 10 QG ARG 10 0.660 -3.387 6.663 124 QD ARG 10 QD ARG 10 2.765 -2.921 7.255 125 QH1 ARG 10 QH2 ARG 10 2.078 -1.489 4.101 126 QH2 ARG 10 QH1 ARG 10 2.816 1.336 5.527 127 H ILE 11 HN ILE 11 -2.044 -0.347 9.090 128 HA ILE 11 HA ILE 11 -1.519 -1.420 11.643 129 HB ILE 11 HB ILE 11 -2.863 0.968 10.527 130 1HG1 ILE 11 2HG1 ILE 11 -1.874 1.860 12.814 131 2HG1 ILE 11 3HG1 ILE 11 -0.948 0.366 12.799 132 1HG2 ILE 11 2HG2 ILE 11 -3.923 -0.017 13.174 133 2HG2 ILE 11 3HG2 ILE 11 -3.998 1.667 12.624 134 3HG2 ILE 11 1HG2 ILE 11 -4.831 0.446 11.707 135 1HD1 ILE 11 3HD1 ILE 11 -1.137 2.316 10.482 136 2HD1 ILE 11 1HD1 ILE 11 0.095 2.468 11.741 137 3HD1 ILE 11 2HD1 ILE 11 0.089 1.029 10.689 138 QG1 ILE 11 QG1 ILE 11 -1.411 1.113 12.807 139 QG2 ILE 11 QG2 ILE 11 -4.250 0.699 12.502 140 QD1 ILE 11 QD1 ILE 11 -0.317 1.938 10.970 141 H GLN 12 HN GLN 12 -4.702 -1.074 9.979 142 HA GLN 12 HA GLN 12 -6.104 -2.572 11.941 143 1HB GLN 12 2HB GLN 12 -7.399 -1.272 10.518 144 2HB GLN 12 3HB GLN 12 -6.704 -1.958 9.036 145 1HG GLN 12 2HG GLN 12 -7.940 -3.923 9.184 146 2HG GLN 12 3HG GLN 12 -8.105 -3.825 10.943 147 1HE2 GLN 12 2HE2 GLN 12 -10.721 -1.371 8.982 148 2HE2 GLN 12 1HE2 GLN 12 -9.012 -1.215 8.606 149 QB GLN 12 QB GLN 12 -7.051 -1.614 9.777 150 QG GLN 12 QG GLN 12 -8.022 -3.873 10.064 151 QE2 GLN 12 QE2 GLN 12 -9.867 -1.293 8.794 152 H LEU 13 HN LEU 13 -4.427 -3.670 8.997 153 HA LEU 13 HA LEU 13 -4.988 -6.475 9.331 154 1HB LEU 13 2HB LEU 13 -3.121 -4.744 7.769 155 2HB LEU 13 3HB LEU 13 -2.554 -6.367 8.039 156 HG LEU 13 HG LEU 13 -3.965 -5.741 5.932 157 1HD1 LEU 13 2HD1 LEU 13 -3.802 -8.238 7.514 158 2HD1 LEU 13 3HD1 LEU 13 -5.051 -8.211 6.253 159 3HD1 LEU 13 1HD1 LEU 13 -3.363 -7.888 5.827 160 1HD2 LEU 13 3HD2 LEU 13 -5.960 -4.905 7.320 161 2HD2 LEU 13 1HD2 LEU 13 -6.281 -6.001 5.965 162 3HD2 LEU 13 2HD2 LEU 13 -6.316 -6.627 7.615 163 QB LEU 13 QB LEU 13 -2.837 -5.555 7.904 164 QD1 LEU 13 QD1 LEU 13 -4.072 -8.113 6.531 165 QD2 LEU 13 QD2 LEU 13 -6.186 -5.844 6.967 166 QQD LEU 13 QQD LEU 13 -5.128 -6.978 6.749 167 H GLY 14 HN GLY 14 -2.641 -4.385 10.922 168 1HA GLY 14 1HA GLY 14 -1.450 -4.799 12.844 169 2HA GLY 14 2HA GLY 14 -2.135 -6.432 12.935 170 QA GLY 14 QA GLY 14 -1.792 -5.616 12.889 171 H LEU 15 HN LEU 15 -0.449 -4.944 10.173 172 HA LEU 15 HA LEU 15 1.810 -6.904 10.475 173 1HB LEU 15 2HB LEU 15 0.465 -5.988 7.900 174 2HB LEU 15 3HB LEU 15 1.850 -7.067 8.025 175 HG LEU 15 HG LEU 15 -0.932 -7.678 9.080 176 1HD1 LEU 15 3HD1 LEU 15 0.521 -8.427 6.522 177 2HD1 LEU 15 1HD1 LEU 15 -0.873 -9.353 7.135 178 3HD1 LEU 15 2HD1 LEU 15 -1.055 -7.645 6.699 179 1HD2 LEU 15 2HD2 LEU 15 0.934 -8.914 10.285 180 2HD2 LEU 15 3HD2 LEU 15 -0.199 -9.942 9.417 181 3HD2 LEU 15 1HD2 LEU 15 1.401 -9.609 8.719 182 QB LEU 15 QB LEU 15 1.157 -6.527 7.962 183 QD1 LEU 15 QD1 LEU 15 -0.469 -8.475 6.785 184 QD2 LEU 15 QD2 LEU 15 0.712 -9.489 9.473 185 QQD LEU 15 QQD LEU 15 0.121 -8.981 8.129 186 H ASN 16 HN ASN 16 3.778 -6.167 9.382 187 HA ASN 16 HA ASN 16 4.200 -3.238 9.750 188 1HB ASN 16 2HB ASN 16 6.584 -3.791 9.960 189 2HB ASN 16 3HB ASN 16 5.596 -4.554 11.210 190 1HD2 ASN 16 2HD2 ASN 16 7.916 -7.195 9.998 191 2HD2 ASN 16 1HD2 ASN 16 8.116 -5.669 10.840 192 QB ASN 16 QB ASN 16 6.090 -4.172 10.585 193 QD2 ASN 16 QD2 ASN 16 8.016 -6.432 10.418 194 H GLN 17 HN GLN 17 5.715 -2.255 8.258 195 HA GLN 17 HA GLN 17 4.899 -2.386 5.568 196 1HB GLN 17 2HB GLN 17 7.351 -1.273 6.921 197 2HB GLN 17 3HB GLN 17 7.058 -1.139 5.156 198 1HG GLN 17 2HG GLN 17 5.216 0.210 5.433 199 2HG GLN 17 3HG GLN 17 5.093 -0.126 7.184 200 1HE2 GLN 17 2HE2 GLN 17 7.250 3.050 5.991 201 2HE2 GLN 17 1HE2 GLN 17 6.214 2.181 4.882 202 QB GLN 17 QB GLN 17 7.204 -1.206 6.039 203 QG GLN 17 QG GLN 17 5.154 0.042 6.308 204 QE2 GLN 17 QE2 GLN 17 6.732 2.616 5.436 205 H ALA 18 HN ALA 18 7.522 -4.165 7.163 206 HA ALA 18 HA ALA 18 8.614 -5.452 4.868 207 1HB ALA 18 2HB ALA 18 8.536 -6.129 7.813 208 2HB ALA 18 3HB ALA 18 9.396 -7.121 6.620 209 3HB ALA 18 1HB ALA 18 9.865 -5.426 6.873 210 QB ALA 18 QB ALA 18 9.266 -6.225 7.102 211 H GLU 19 HN GLU 19 6.081 -6.746 7.190 212 HA GLU 19 HA GLU 19 5.574 -9.134 5.775 213 1HB GLU 19 2HB GLU 19 3.938 -7.353 7.551 214 2HB GLU 19 3HB GLU 19 3.170 -8.710 6.742 215 1HG GLU 19 2HG GLU 19 5.696 -9.036 8.419 216 2HG GLU 19 3HG GLU 19 4.064 -9.219 9.081 217 QB GLU 19 QB GLU 19 3.554 -8.032 7.147 218 QG GLU 19 QG GLU 19 4.880 -9.128 8.749 219 H LEU 20 HN LEU 20 4.249 -5.829 5.385 220 HA LEU 20 HA LEU 20 2.453 -6.676 3.339 221 1HB LEU 20 2HB LEU 20 2.545 -4.404 4.696 222 2HB LEU 20 3HB LEU 20 3.449 -3.860 3.284 223 HG LEU 20 HG LEU 20 1.326 -5.311 2.153 224 1HD1 LEU 20 1HD1 LEU 20 0.495 -5.204 4.755 225 2HD1 LEU 20 2HD1 LEU 20 -0.303 -3.777 4.073 226 3HD1 LEU 20 3HD1 LEU 20 -0.541 -5.375 3.355 227 1HD2 LEU 20 2HD2 LEU 20 2.091 -2.524 2.242 228 2HD2 LEU 20 3HD2 LEU 20 1.367 -3.503 0.975 229 3HD2 LEU 20 1HD2 LEU 20 0.343 -2.709 2.171 230 QB LEU 20 QB LEU 20 2.996 -4.132 3.990 231 QD1 LEU 20 QD1 LEU 20 -0.116 -4.786 4.061 232 QD2 LEU 20 QD2 LEU 20 1.267 -2.912 1.796 233 QQD LEU 20 QQD LEU 20 0.576 -3.848 2.929 234 H ALA 21 HN ALA 21 5.783 -5.359 3.230 235 HA ALA 21 HA ALA 21 6.209 -5.154 0.487 236 1HB ALA 21 3HB ALA 21 7.836 -4.558 2.278 237 2HB ALA 21 1HB ALA 21 8.232 -6.270 2.475 238 3HB ALA 21 2HB ALA 21 8.521 -5.502 0.930 239 QB ALA 21 QB ALA 21 8.196 -5.443 1.895 240 H GLN 22 HN GLN 22 6.686 -8.056 2.522 241 HA GLN 22 HA GLN 22 7.344 -9.705 0.243 242 1HB GLN 22 2HB GLN 22 7.053 -11.648 1.681 243 2HB GLN 22 3HB GLN 22 8.069 -10.408 2.434 244 1HG GLN 22 2HG GLN 22 6.281 -9.687 3.838 245 2HG GLN 22 3HG GLN 22 5.097 -10.745 3.041 246 1HE2 GLN 22 2HE2 GLN 22 7.552 -12.292 5.888 247 2HE2 GLN 22 1HE2 GLN 22 8.053 -10.818 5.075 248 QB GLN 22 QB GLN 22 7.561 -11.028 2.057 249 QG GLN 22 QG GLN 22 5.690 -10.216 3.439 250 QE2 GLN 22 QE2 GLN 22 7.803 -11.555 5.481 251 H LYS 23 HN LYS 23 4.230 -9.019 1.905 252 HA LYS 23 HA LYS 23 2.687 -10.925 0.462 253 1HB LYS 23 2HB LYS 23 2.144 -8.588 2.201 254 2HB LYS 23 3HB LYS 23 0.990 -8.751 0.905 255 1HG LYS 23 2HG LYS 23 0.061 -9.877 2.672 256 2HG LYS 23 3HG LYS 23 0.582 -11.143 1.558 257 1HD LYS 23 2HD LYS 23 2.336 -11.856 2.975 258 2HD LYS 23 3HD LYS 23 2.482 -10.282 3.741 259 1HE LYS 23 2HE LYS 23 -0.101 -11.056 4.525 260 2HE LYS 23 3HE LYS 23 0.773 -12.588 4.475 261 1HZ LYS 23 3HZ LYS 23 2.501 -11.084 5.845 262 2HZ LYS 23 1HZ LYS 23 1.114 -10.330 6.248 263 3HZ LYS 23 2HZ LYS 23 1.332 -11.924 6.539 264 QB LYS 23 QB LYS 23 1.567 -8.670 1.553 265 QG LYS 23 QG LYS 23 0.322 -10.510 2.116 266 QD LYS 23 QD LYS 23 2.409 -11.069 3.359 267 QE LYS 23 QE LYS 23 0.336 -11.822 4.500 268 QZ LYS 23 QZ LYS 23 1.648 -11.113 6.211 269 H VAL 24 HN VAL 24 3.532 -7.560 -0.298 270 HA VAL 24 HA VAL 24 2.050 -7.418 -2.783 271 HB VAL 24 HB VAL 24 4.388 -5.834 -1.663 272 1HG1 VAL 24 3HG1 VAL 24 2.482 -5.200 -3.971 273 2HG1 VAL 24 1HG1 VAL 24 3.645 -4.053 -3.282 274 3HG1 VAL 24 2HG1 VAL 24 4.220 -5.489 -4.144 275 1HG2 VAL 24 1HG2 VAL 24 2.009 -5.800 -0.463 276 2HG2 VAL 24 2HG2 VAL 24 2.895 -4.292 -0.783 277 3HG2 VAL 24 3HG2 VAL 24 1.589 -4.807 -1.850 278 QG1 VAL 24 QG1 VAL 24 3.449 -4.914 -3.799 279 QG2 VAL 24 QG2 VAL 24 2.165 -4.967 -1.032 280 QQG VAL 24 QQG VAL 24 2.806 -4.941 -2.416 281 H GLY 25 HN GLY 25 5.318 -8.421 -1.801 282 1HA GLY 25 1HA GLY 25 6.661 -9.965 -2.943 283 2HA GLY 25 2HA GLY 25 5.789 -9.676 -4.455 284 QA GLY 25 QA GLY 25 6.225 -9.820 -3.700 285 H THR 26 HN THR 26 6.878 -7.066 -2.342 286 HA THR 26 HA THR 26 9.105 -6.396 -4.213 287 HB THR 26 HB THR 26 7.211 -4.961 -4.796 288 HG1 THR 26 1HG THR 26 8.567 -2.955 -4.054 289 1HG2 THR 26 1HG2 THR 26 7.268 -4.015 -1.883 290 2HG2 THR 26 2HG2 THR 26 6.435 -3.201 -3.225 291 3HG2 THR 26 3HG2 THR 26 5.974 -4.829 -2.748 292 QG2 THR 26 QG2 THR 26 6.559 -4.015 -2.619 293 H THR 27 HN THR 27 9.437 -3.995 -2.406 294 HA THR 27 HA THR 27 10.672 -5.326 -0.023 295 HB THR 27 HB THR 27 12.497 -3.584 -0.362 296 HG1 THR 27 1HG THR 27 11.257 -3.406 -2.916 297 1HG2 THR 27 1HG2 THR 27 12.129 -6.157 -1.636 298 2HG2 THR 27 2HG2 THR 27 12.994 -5.094 -2.756 299 3HG2 THR 27 3HG2 THR 27 13.621 -5.366 -1.123 300 QG2 THR 27 QG2 THR 27 12.915 -5.539 -1.838 301 H GLN 28 HN GLN 28 10.669 -4.068 1.874 302 HA GLN 28 HA GLN 28 8.441 -2.476 2.464 303 1HB GLN 28 2HB GLN 28 9.795 -3.565 4.139 304 2HB GLN 28 3HB GLN 28 11.213 -2.611 3.722 305 1HG GLN 28 2HG GLN 28 8.959 -0.857 4.384 306 2HG GLN 28 3HG GLN 28 9.207 -2.070 5.658 307 1HE2 GLN 28 2HE2 GLN 28 11.297 0.499 6.948 308 2HE2 GLN 28 1HE2 GLN 28 9.740 -0.292 7.095 309 QB GLN 28 QB GLN 28 10.504 -3.088 3.931 310 QG GLN 28 QG GLN 28 9.083 -1.463 5.022 311 QE2 GLN 28 QE2 GLN 28 10.519 0.104 7.021 312 H GLN 29 HN GLN 29 11.638 -1.504 1.344 313 HA GLN 29 HA GLN 29 11.354 1.243 1.554 314 1HB GLN 29 2HB GLN 29 13.285 -0.444 0.649 315 2HB GLN 29 3HB GLN 29 12.751 0.202 -0.900 316 1HG GLN 29 2HG GLN 29 13.383 2.064 1.449 317 2HG GLN 29 3HG GLN 29 14.689 1.335 0.530 318 1HE2 GLN 29 2HE2 GLN 29 14.007 3.143 -2.504 319 2HE2 GLN 29 1HE2 GLN 29 14.539 1.567 -1.938 320 QB GLN 29 QB GLN 29 13.018 -0.121 -0.126 321 QG GLN 29 QG GLN 29 14.037 1.700 0.989 322 QE2 GLN 29 QE2 GLN 29 14.273 2.356 -2.221 323 H SER 30 HN SER 30 9.962 -0.930 -0.973 324 HA SER 30 HA SER 30 9.022 1.148 -2.703 325 1HB SER 30 2HB SER 30 7.739 -1.540 -2.191 326 2HB SER 30 3HB SER 30 7.555 -0.510 -3.617 327 HG SER 30 HG SER 30 9.891 -0.767 -3.885 328 QB SER 30 QB SER 30 7.647 -1.026 -2.904 329 H ILE 31 HN ILE 31 7.533 -0.507 0.206 330 HA ILE 31 HA ILE 31 5.031 0.806 -0.044 331 HB ILE 31 HB ILE 31 6.507 -0.503 2.288 332 1HG1 ILE 31 2HG1 ILE 31 4.794 -2.202 1.999 333 2HG1 ILE 31 3HG1 ILE 31 4.076 -1.279 0.642 334 1HG2 ILE 31 2HG2 ILE 31 3.672 0.601 2.186 335 2HG2 ILE 31 3HG2 ILE 31 4.361 -0.451 3.441 336 3HG2 ILE 31 1HG2 ILE 31 4.976 1.188 3.238 337 1HD1 ILE 31 1HD1 ILE 31 6.810 -2.573 0.621 338 2HD1 ILE 31 2HD1 ILE 31 5.306 -3.282 -0.018 339 3HD1 ILE 31 3HD1 ILE 31 5.943 -1.839 -0.769 340 QG1 ILE 31 QG1 ILE 31 4.435 -1.741 1.321 341 QG2 ILE 31 QG2 ILE 31 4.336 0.446 2.955 342 QD1 ILE 31 QD1 ILE 31 6.020 -2.564 -0.055 343 H GLU 32 HN GLU 32 7.861 1.484 2.110 344 HA GLU 32 HA GLU 32 6.835 3.930 3.138 345 1HB GLU 32 2HB GLU 32 8.682 2.941 4.203 346 2HB GLU 32 3HB GLU 32 9.690 2.966 2.757 347 1HG GLU 32 2HG GLU 32 10.232 5.192 3.011 348 2HG GLU 32 3HG GLU 32 8.649 5.642 3.661 349 QB GLU 32 QB GLU 32 9.185 2.954 3.481 350 QG GLU 32 QG GLU 32 9.441 5.416 3.336 351 H GLN 33 HN GLN 33 8.810 3.328 0.186 352 HA GLN 33 HA GLN 33 9.070 5.961 -0.673 353 1HB GLN 33 2HB GLN 33 10.378 4.279 -1.698 354 2HB GLN 33 3HB GLN 33 8.954 3.314 -2.160 355 1HG GLN 33 2HG GLN 33 8.247 4.802 -3.785 356 2HG GLN 33 3HG GLN 33 9.366 6.081 -3.243 357 1HE2 GLN 33 2HE2 GLN 33 10.676 4.396 -6.366 358 2HE2 GLN 33 1HE2 GLN 33 9.135 5.138 -5.969 359 QB GLN 33 QB GLN 33 9.666 3.797 -1.929 360 QG GLN 33 QG GLN 33 8.806 5.441 -3.515 361 QE2 GLN 33 QE2 GLN 33 9.905 4.767 -6.167 362 H LEU 34 HN LEU 34 6.475 3.589 -1.653 363 HA LEU 34 HA LEU 34 5.107 5.491 -3.283 364 1HB LEU 34 2HB LEU 34 4.841 3.140 -3.560 365 2HB LEU 34 3HB LEU 34 4.221 2.928 -1.907 366 HG LEU 34 HG LEU 34 2.340 4.679 -2.802 367 1HD1 LEU 34 1HD1 LEU 34 3.656 4.854 -4.980 368 2HD1 LEU 34 2HD1 LEU 34 3.152 3.188 -5.293 369 3HD1 LEU 34 3HD1 LEU 34 1.917 4.473 -5.104 370 1HD2 LEU 34 2HD2 LEU 34 1.936 2.354 -1.969 371 2HD2 LEU 34 3HD2 LEU 34 0.868 2.905 -3.271 372 3HD2 LEU 34 1HD2 LEU 34 2.188 1.785 -3.637 373 QB LEU 34 QB LEU 34 4.532 3.034 -2.733 374 QD1 LEU 34 QD1 LEU 34 2.908 4.172 -5.126 375 QD2 LEU 34 QD2 LEU 34 1.665 2.348 -2.959 376 QQD LEU 34 QQD LEU 34 2.286 3.260 -4.042 377 H GLU 35 HN GLU 35 4.607 4.408 0.046 378 HA GLU 35 HA GLU 35 2.431 5.938 0.836 379 1HB GLU 35 2HB GLU 35 4.911 4.933 2.299 380 2HB GLU 35 3HB GLU 35 3.735 5.952 3.084 381 1HG GLU 35 2HG GLU 35 2.011 4.172 2.008 382 2HG GLU 35 3HG GLU 35 3.412 3.129 2.068 383 QB GLU 35 QB GLU 35 4.323 5.442 2.692 384 QG GLU 35 QG GLU 35 2.712 3.651 2.038 385 H ASN 36 HN ASN 36 5.829 6.892 1.453 386 HA ASN 36 HA ASN 36 4.976 9.674 1.875 387 1HB ASN 36 2HB ASN 36 6.652 9.059 3.282 388 2HB ASN 36 3HB ASN 36 7.496 8.071 2.094 389 1HD2 ASN 36 2HD2 ASN 36 9.696 10.550 1.068 390 2HD2 ASN 36 1HD2 ASN 36 9.207 8.871 1.029 391 QB ASN 36 QB ASN 36 7.075 8.565 2.688 392 QD2 ASN 36 QD2 ASN 36 9.452 9.711 1.048 393 H GLY 37 HN GLY 37 5.365 7.813 -0.841 394 1HA GLY 37 1HA GLY 37 6.748 9.673 -2.594 395 2HA GLY 37 2HA GLY 37 5.919 8.167 -3.061 396 QA GLY 37 QA GLY 37 6.334 8.920 -2.828 397 H LYS 38 HN LYS 38 3.417 8.625 -2.002 398 HA LYS 38 HA LYS 38 1.433 9.389 -2.889 399 1HB LYS 38 2HB LYS 38 2.575 12.149 -3.191 400 2HB LYS 38 3HB LYS 38 1.005 11.641 -2.587 401 1HG LYS 38 2HG LYS 38 1.811 12.007 -0.482 402 2HG LYS 38 3HG LYS 38 2.840 10.611 -0.652 403 1HD LYS 38 2HD LYS 38 4.299 12.267 -0.055 404 2HD LYS 38 3HD LYS 38 4.577 12.057 -1.774 405 1HE LYS 38 2HE LYS 38 4.205 14.211 -2.158 406 2HE LYS 38 3HE LYS 38 2.552 14.075 -1.546 407 1HZ LYS 38 2HZ LYS 38 4.941 14.499 0.131 408 2HZ LYS 38 3HZ LYS 38 3.910 15.695 -0.340 409 3HZ LYS 38 1HZ LYS 38 3.379 14.490 0.653 410 QB LYS 38 QB LYS 38 1.789 11.895 -2.889 411 QG LYS 38 QG LYS 38 2.325 11.309 -0.568 412 QD LYS 38 QD LYS 38 4.438 12.162 -0.915 413 QE LYS 38 QE LYS 38 3.379 14.143 -1.852 414 QZ LYS 38 QZ LYS 38 4.077 14.894 0.148 415 H THR 39 HN THR 39 2.518 7.948 -4.469 416 HA THR 39 HA THR 39 2.757 9.094 -7.144 417 HB THR 39 HB THR 39 2.440 6.254 -6.202 418 HG1 THR 39 1HG THR 39 4.373 7.581 -5.605 419 1HG2 THR 39 1HG2 THR 39 3.327 7.288 -8.921 420 2HG2 THR 39 2HG2 THR 39 3.413 5.601 -8.373 421 3HG2 THR 39 3HG2 THR 39 1.841 6.381 -8.539 422 QG2 THR 39 QG2 THR 39 2.860 6.423 -8.610 423 H LYS 40 HN LYS 40 1.284 9.255 -8.558 424 HA LYS 40 HA LYS 40 -1.514 9.104 -8.136 425 1HB LYS 40 2HB LYS 40 -1.750 9.871 -10.385 426 2HB LYS 40 3HB LYS 40 -0.440 10.742 -9.602 427 1HG LYS 40 2HG LYS 40 0.550 10.329 -11.632 428 2HG LYS 40 3HG LYS 40 1.101 8.913 -10.764 429 1HD LYS 40 2HD LYS 40 0.180 7.692 -12.502 430 2HD LYS 40 3HD LYS 40 -1.383 8.070 -11.777 431 1HE LYS 40 2HE LYS 40 -1.861 8.797 -13.834 432 2HE LYS 40 3HE LYS 40 -1.237 10.299 -13.152 433 1HZ LYS 40 1HZ LYS 40 0.948 9.601 -14.148 434 2HZ LYS 40 2HZ LYS 40 0.151 8.381 -14.915 435 3HZ LYS 40 3HZ LYS 40 -0.232 9.943 -15.243 436 QB LYS 40 QB LYS 40 -1.095 10.307 -9.994 437 QG LYS 40 QG LYS 40 0.826 9.621 -11.198 438 QD LYS 40 QD LYS 40 -0.602 7.881 -12.140 439 QE LYS 40 QE LYS 40 -1.548 9.548 -13.494 440 QZ LYS 40 QZ LYS 40 0.289 9.309 -14.769 441 NH1 ARG 41 NH2 ARG 41 -0.752 1.252 -15.084 442 NH2 ARG 41 NH1 ARG 41 -1.602 2.854 -16.529 443 H ARG 41 HN ARG 41 0.604 6.974 -10.301 444 HA ARG 41 HA ARG 41 -1.242 4.816 -9.587 445 1HB ARG 41 2HB ARG 41 -2.264 5.903 -11.519 446 2HB ARG 41 3HB ARG 41 -0.849 5.510 -12.510 447 1HG ARG 41 2HG ARG 41 -2.220 3.306 -10.943 448 2HG ARG 41 3HG ARG 41 -3.082 3.960 -12.324 449 1HD ARG 41 2HD ARG 41 -0.210 2.990 -12.601 450 2HD ARG 41 3HD ARG 41 -1.607 1.901 -12.649 451 HE ARG 41 HE ARG 41 -1.895 4.196 -14.415 452 1HH1 ARG 41 2HH2 ARG 41 -0.483 0.987 -14.148 453 2HH1 ARG 41 1HH2 ARG 41 -0.633 0.589 -15.835 454 1HH2 ARG 41 2HH1 ARG 41 -2.018 3.758 -16.695 455 2HH2 ARG 41 1HH1 ARG 41 -1.453 2.250 -17.325 456 QB ARG 41 QB ARG 41 -1.557 5.707 -12.014 457 QG ARG 41 QG ARG 41 -2.651 3.632 -11.633 458 QD ARG 41 QD ARG 41 -0.908 2.445 -12.626 459 QH1 ARG 41 QH2 ARG 41 -0.558 0.788 -14.991 460 QH2 ARG 41 QH1 ARG 41 -1.735 3.003 -17.010 461 HA PRO 42 HA PRO 42 3.137 3.409 -9.808 462 1HB PRO 42 2HB PRO 42 2.941 1.485 -7.802 463 2HB PRO 42 3HB PRO 42 3.173 3.199 -7.510 464 1HG PRO 42 2HG PRO 42 0.685 1.556 -7.380 465 2HG PRO 42 3HG PRO 42 1.123 2.862 -6.296 466 1HD PRO 42 2HD PRO 42 -0.617 3.087 -8.486 467 2HD PRO 42 3HD PRO 42 0.192 4.481 -7.700 468 QB PRO 42 QB PRO 42 3.057 2.341 -7.655 469 QG PRO 42 QG PRO 42 0.903 2.209 -6.838 470 QD PRO 42 QD PRO 42 -0.212 3.784 -8.093 471 NH1 ARG 43 NH2 ARG 43 5.062 -3.809 -15.053 472 NH2 ARG 43 NH1 ARG 43 3.101 -3.850 -16.290 473 H ARG 43 HN ARG 43 3.824 0.925 -9.715 474 HA ARG 43 HA ARG 43 2.284 -0.404 -11.850 475 1HB ARG 43 2HB ARG 43 4.896 0.023 -11.796 476 2HB ARG 43 3HB ARG 43 4.923 -1.270 -10.595 477 1HG ARG 43 2HG ARG 43 5.289 -2.512 -12.483 478 2HG ARG 43 3HG ARG 43 3.524 -2.586 -12.452 479 1HD ARG 43 2HD ARG 43 3.847 -0.274 -13.867 480 2HD ARG 43 3HD ARG 43 5.362 -1.051 -14.305 481 HE ARG 43 HE ARG 43 2.721 -1.602 -15.256 482 1HH1 ARG 43 2HH2 ARG 43 5.663 -3.326 -14.402 483 2HH1 ARG 43 1HH2 ARG 43 5.338 -4.721 -15.385 484 1HH2 ARG 43 2HH1 ARG 43 2.229 -3.425 -16.570 485 2HH2 ARG 43 1HH1 ARG 43 3.325 -4.763 -16.658 486 QB ARG 43 QB ARG 43 4.910 -0.624 -11.195 487 QG ARG 43 QG ARG 43 4.406 -2.549 -12.467 488 QD ARG 43 QD ARG 43 4.603 -0.663 -14.086 489 QH1 ARG 43 QH2 ARG 43 5.501 -4.024 -14.893 490 QH2 ARG 43 QH1 ARG 43 2.777 -4.094 -16.614 491 H PHE 44 HN PHE 44 3.142 -0.781 -8.450 492 HA PHE 44 HA PHE 44 1.984 -3.535 -8.452 493 1HB PHE 44 2HB PHE 44 3.047 -3.810 -6.319 494 2HB PHE 44 3HB PHE 44 4.217 -3.305 -7.517 495 HD1 PHE 44 2HD PHE 44 5.229 -1.024 -7.412 496 HD2 PHE 44 1HD PHE 44 2.338 -2.341 -4.494 497 HE1 PHE 44 2HE PHE 44 5.808 0.902 -5.955 498 HE2 PHE 44 1HE PHE 44 2.972 -0.462 -3.016 499 HZ PHE 44 HZ PHE 44 4.817 1.049 -3.679 500 QB PHE 44 QB PHE 44 3.632 -3.558 -6.918 501 QR PHE 44 QR PHE 44 4.086 -0.732 -5.219 502 H LEU 45 HN LEU 45 0.596 -0.732 -8.588 503 HA LEU 45 HA LEU 45 -0.824 -0.399 -6.184 504 1HB LEU 45 2HB LEU 45 -0.916 0.925 -8.617 505 2HB LEU 45 3HB LEU 45 -2.333 -0.069 -8.764 506 HG LEU 45 HG LEU 45 -3.254 0.741 -6.723 507 1HD1 LEU 45 2HD1 LEU 45 -0.963 1.667 -5.689 508 2HD1 LEU 45 3HD1 LEU 45 -1.431 3.155 -6.518 509 3HD1 LEU 45 1HD1 LEU 45 -2.460 2.478 -5.337 510 1HD2 LEU 45 2HD2 LEU 45 -3.491 1.856 -9.106 511 2HD2 LEU 45 3HD2 LEU 45 -4.326 2.470 -7.676 512 3HD2 LEU 45 1HD2 LEU 45 -2.862 3.271 -8.247 513 QB LEU 45 QB LEU 45 -1.625 0.428 -8.690 514 QD1 LEU 45 QD1 LEU 45 -1.618 2.433 -5.848 515 QD2 LEU 45 QD2 LEU 45 -3.559 2.533 -8.343 516 QQD LEU 45 QQD LEU 45 -2.589 2.483 -7.096 517 HA PRO 46 HA PRO 46 -4.078 -3.545 -7.580 518 1HB PRO 46 2HB PRO 46 -3.308 -5.577 -9.305 519 2HB PRO 46 3HB PRO 46 -4.244 -4.119 -9.726 520 1HG PRO 46 2HG PRO 46 -1.404 -4.723 -10.314 521 2HG PRO 46 3HG PRO 46 -2.515 -3.591 -11.133 522 1HD PRO 46 2HD PRO 46 -0.487 -3.021 -9.255 523 2HD PRO 46 3HD PRO 46 -1.662 -1.850 -9.899 524 QB PRO 46 QB PRO 46 -3.776 -4.848 -9.516 525 QG PRO 46 QG PRO 46 -1.960 -4.157 -10.724 526 QD PRO 46 QD PRO 46 -1.075 -2.436 -9.578 527 H GLU 47 HN GLU 47 -0.638 -4.550 -7.455 528 HA GLU 47 HA GLU 47 -1.048 -7.043 -6.154 529 1HB GLU 47 2HB GLU 47 1.362 -5.205 -5.946 530 2HB GLU 47 3HB GLU 47 1.330 -6.953 -5.696 531 1HG GLU 47 2HG GLU 47 0.878 -5.489 -8.344 532 2HG GLU 47 3HG GLU 47 2.294 -6.429 -7.876 533 QB GLU 47 QB GLU 47 1.346 -6.079 -5.821 534 QG GLU 47 QG GLU 47 1.586 -5.959 -8.110 535 H LEU 48 HN LEU 48 -0.241 -3.775 -4.891 536 HA LEU 48 HA LEU 48 -0.460 -4.604 -2.128 537 1HB LEU 48 2HB LEU 48 0.910 -2.765 -2.753 538 2HB LEU 48 3HB LEU 48 -0.427 -1.851 -3.430 539 HG LEU 48 HG LEU 48 -0.492 -2.818 -0.544 540 1HD1 LEU 48 1HD1 LEU 48 1.720 -1.553 -1.100 541 2HD1 LEU 48 2HD1 LEU 48 0.692 -0.107 -1.168 542 3HD1 LEU 48 3HD1 LEU 48 0.773 -1.098 0.302 543 1HD2 LEU 48 2HD2 LEU 48 -2.082 -1.099 -2.271 544 2HD2 LEU 48 3HD2 LEU 48 -2.508 -1.694 -0.685 545 3HD2 LEU 48 1HD2 LEU 48 -1.591 -0.200 -0.864 546 QB LEU 48 QB LEU 48 0.242 -2.307 -3.092 547 QD1 LEU 48 QD1 LEU 48 1.062 -0.919 -0.655 548 QD2 LEU 48 QD2 LEU 48 -2.060 -0.998 -1.274 549 QQD LEU 48 QQD LEU 48 -0.499 -0.959 -0.964 550 H ALA 49 HN ALA 49 -2.795 -3.144 -4.438 551 HA ALA 49 HA ALA 49 -4.853 -2.900 -2.572 552 1HB ALA 49 3HB ALA 49 -4.842 -3.274 -5.555 553 2HB ALA 49 1HB ALA 49 -6.368 -3.447 -4.696 554 3HB ALA 49 2HB ALA 49 -5.492 -1.935 -4.579 555 QB ALA 49 QB ALA 49 -5.567 -2.885 -4.944 556 H SER 50 HN SER 50 -3.990 -5.758 -4.529 557 HA SER 50 HA SER 50 -6.016 -7.480 -3.487 558 1HB SER 50 2HB SER 50 -3.514 -7.809 -5.105 559 2HB SER 50 3HB SER 50 -4.017 -9.217 -4.165 560 HG SER 50 HG SER 50 -5.026 -9.173 -6.207 561 QB SER 50 QB SER 50 -3.766 -8.513 -4.635 562 H ALA 51 HN ALA 51 -2.549 -7.114 -2.535 563 HA ALA 51 HA ALA 51 -2.504 -9.015 -0.478 564 1HB ALA 51 1HB ALA 51 -1.039 -6.378 -0.833 565 2HB ALA 51 2HB ALA 51 -0.748 -7.441 0.545 566 3HB ALA 51 3HB ALA 51 -0.437 -8.028 -1.108 567 QB ALA 51 QB ALA 51 -0.742 -7.282 -0.466 568 H LEU 52 HN LEU 52 -3.456 -5.562 -0.294 569 HA LEU 52 HA LEU 52 -4.174 -5.837 2.489 570 1HB LEU 52 2HB LEU 52 -4.056 -3.646 0.476 571 2HB LEU 52 3HB LEU 52 -5.451 -3.547 1.491 572 HG LEU 52 HG LEU 52 -4.115 -2.317 2.666 573 1HD1 LEU 52 3HD1 LEU 52 -4.547 -4.438 4.171 574 2HD1 LEU 52 1HD1 LEU 52 -2.860 -4.854 3.848 575 3HD1 LEU 52 2HD1 LEU 52 -3.225 -3.384 4.708 576 1HD2 LEU 52 3HD2 LEU 52 -2.180 -2.392 1.269 577 2HD2 LEU 52 1HD2 LEU 52 -1.778 -2.347 2.984 578 3HD2 LEU 52 2HD2 LEU 52 -1.654 -3.888 2.062 579 QB LEU 52 QB LEU 52 -4.754 -3.596 0.983 580 QD1 LEU 52 QD1 LEU 52 -3.544 -4.225 4.243 581 QD2 LEU 52 QD2 LEU 52 -1.871 -2.876 2.105 582 QQD LEU 52 QQD LEU 52 -2.707 -3.550 3.174 583 H GLY 53 HN GLY 53 -5.958 -5.915 -0.534 584 1HA GLY 53 1HA GLY 53 -7.984 -6.920 -0.956 585 2HA GLY 53 2HA GLY 53 -8.382 -6.969 0.766 586 QA GLY 53 QA GLY 53 -8.184 -6.944 -0.095 587 H VAL 54 HN VAL 54 -7.304 -4.155 -1.172 588 HA VAL 54 HA VAL 54 -9.943 -2.794 -0.670 589 HB VAL 54 HB VAL 54 -8.782 -0.651 -0.780 590 1HG1 VAL 54 3HG1 VAL 54 -9.239 -1.608 1.411 591 2HG1 VAL 54 1HG1 VAL 54 -7.679 -2.459 1.397 592 3HG1 VAL 54 2HG1 VAL 54 -7.729 -0.681 1.423 593 1HG2 VAL 54 2HG2 VAL 54 -6.610 -2.145 -1.779 594 2HG2 VAL 54 3HG2 VAL 54 -6.690 -0.414 -1.511 595 3HG2 VAL 54 1HG2 VAL 54 -6.054 -1.476 -0.237 596 QG1 VAL 54 QG1 VAL 54 -8.216 -1.583 1.410 597 QG2 VAL 54 QG2 VAL 54 -6.451 -1.345 -1.176 598 QQG VAL 54 QQG VAL 54 -7.333 -1.464 0.117 599 H SER 55 HN SER 55 -10.391 -1.093 -2.476 600 HA SER 55 HA SER 55 -9.996 -2.484 -5.028 601 1HB SER 55 2HB SER 55 -11.812 -0.922 -5.686 602 2HB SER 55 3HB SER 55 -12.232 -1.963 -4.340 603 HG SER 55 HG SER 55 -12.371 0.624 -4.353 604 QB SER 55 QB SER 55 -12.022 -1.442 -5.013 605 H VAL 56 HN VAL 56 -9.162 -1.458 -6.890 606 HA VAL 56 HA VAL 56 -6.915 0.196 -6.516 607 HB VAL 56 HB VAL 56 -8.482 -0.265 -9.059 608 1HG1 VAL 56 3HG1 VAL 56 -6.775 1.712 -9.015 609 2HG1 VAL 56 1HG1 VAL 56 -5.544 0.459 -8.787 610 3HG1 VAL 56 2HG1 VAL 56 -6.565 0.470 -10.245 611 1HG2 VAL 56 1HG2 VAL 56 -6.087 -1.703 -7.801 612 2HG2 VAL 56 2HG2 VAL 56 -7.691 -2.402 -8.099 613 3HG2 VAL 56 3HG2 VAL 56 -6.650 -1.963 -9.463 614 QG1 VAL 56 QG1 VAL 56 -6.295 0.880 -9.349 615 QG2 VAL 56 QG2 VAL 56 -6.809 -2.023 -8.454 616 QQG VAL 56 QQG VAL 56 -6.552 -0.571 -8.901 617 H ASP 57 HN ASP 57 -10.274 1.019 -7.532 618 HA ASP 57 HA ASP 57 -10.065 3.771 -7.971 619 1HB ASP 57 2HB ASP 57 -12.452 3.713 -6.844 620 2HB ASP 57 3HB ASP 57 -12.177 2.911 -8.395 621 QB ASP 57 QB ASP 57 -12.314 3.312 -7.619 622 CH2 TRP 58 CH2 TRP 58 -6.649 2.839 1.956 623 H TRP 58 HN TRP 58 -10.056 1.990 -4.848 624 HA TRP 58 HA TRP 58 -10.157 4.505 -3.320 625 1HB TRP 58 2HB TRP 58 -11.114 2.443 -2.402 626 2HB TRP 58 3HB TRP 58 -9.521 1.686 -2.416 627 HD1 TRP 58 HD1 TRP 58 -11.461 4.455 -0.622 628 HE1 TRP 58 HE1 TRP 58 -10.450 4.820 1.687 629 HE3 TRP 58 HE3 TRP 58 -7.152 1.803 -1.251 630 HZ2 TRP 58 HZ2 TRP 58 -7.939 4.153 3.058 631 HZ3 TRP 58 HZ3 TRP 58 -5.416 1.811 0.535 632 HH2 TRP 58 HH2 TRP 58 -5.846 2.900 2.668 633 QB TRP 58 QB TRP 58 -10.317 2.065 -2.410 634 H LEU 59 HN LEU 59 -7.707 2.061 -4.294 635 HA LEU 59 HA LEU 59 -5.522 3.406 -3.043 636 1HB LEU 59 2HB LEU 59 -5.897 1.311 -5.050 637 2HB LEU 59 3HB LEU 59 -4.500 2.287 -5.387 638 HG LEU 59 HG LEU 59 -5.178 0.730 -2.889 639 1HD1 LEU 59 2HD1 LEU 59 -4.224 -0.271 -5.121 640 2HD1 LEU 59 3HD1 LEU 59 -2.668 0.280 -4.463 641 3HD1 LEU 59 1HD1 LEU 59 -3.697 -0.842 -3.555 642 1HD2 LEU 59 1HD2 LEU 59 -2.986 2.788 -3.211 643 2HD2 LEU 59 2HD2 LEU 59 -3.962 2.383 -1.787 644 3HD2 LEU 59 3HD2 LEU 59 -2.651 1.321 -2.284 645 QB LEU 59 QB LEU 59 -5.199 1.799 -5.219 646 QD1 LEU 59 QD1 LEU 59 -3.530 -0.277 -4.380 647 QD2 LEU 59 QD2 LEU 59 -3.199 2.164 -2.427 648 QQD LEU 59 QQD LEU 59 -3.365 0.943 -3.404 649 H LEU 60 HN LEU 60 -7.256 4.261 -5.977 650 HA LEU 60 HA LEU 60 -5.325 6.415 -6.602 651 1HB LEU 60 2HB LEU 60 -7.970 5.544 -7.815 652 2HB LEU 60 3HB LEU 60 -7.010 6.903 -8.416 653 HG LEU 60 HG LEU 60 -5.978 4.032 -8.197 654 1HD1 LEU 60 3HD1 LEU 60 -7.751 4.202 -9.887 655 2HD1 LEU 60 1HD1 LEU 60 -6.882 5.546 -10.669 656 3HD1 LEU 60 2HD1 LEU 60 -6.161 3.921 -10.614 657 1HD2 LEU 60 2HD2 LEU 60 -4.790 6.638 -9.165 658 2HD2 LEU 60 3HD2 LEU 60 -4.074 5.382 -8.130 659 3HD2 LEU 60 1HD2 LEU 60 -4.248 5.103 -9.865 660 QB LEU 60 QB LEU 60 -7.490 6.224 -8.115 661 QD1 LEU 60 QD1 LEU 60 -6.932 4.556 -10.390 662 QD2 LEU 60 QD2 LEU 60 -4.371 5.707 -9.053 663 QQD LEU 60 QQD LEU 60 -5.651 5.132 -9.721 664 H ASN 61 HN ASN 61 -8.679 6.198 -5.393 665 HA ASN 61 HA ASN 61 -8.902 9.101 -4.991 666 1HB ASN 61 2HB ASN 61 -10.709 6.738 -4.282 667 2HB ASN 61 3HB ASN 61 -11.027 8.384 -3.764 668 1HD2 ASN 61 2HD2 ASN 61 -11.863 7.339 -7.599 669 2HD2 ASN 61 1HD2 ASN 61 -10.983 6.231 -6.542 670 QB ASN 61 QB ASN 61 -10.868 7.561 -4.022 671 QD2 ASN 61 QD2 ASN 61 -11.423 6.785 -7.071 672 H GLY 62 HN GLY 62 -9.189 6.300 -2.809 673 1HA GLY 62 1HA GLY 62 -8.474 5.913 -0.701 674 2HA GLY 62 2HA GLY 62 -7.316 7.175 -1.025 675 QA GLY 62 QA GLY 62 -7.895 6.544 -0.863 676 H THR 63 HN THR 63 -10.620 6.552 -0.097 677 HA THR 63 HA THR 63 -11.977 7.272 1.519 678 HB THR 63 HB THR 63 -10.333 9.435 2.671 679 HG1 THR 63 1HG THR 63 -9.378 6.774 2.530 680 1HG2 THR 63 2HG2 THR 63 -12.356 8.495 3.791 681 2HG2 THR 63 3HG2 THR 63 -11.549 6.911 3.886 682 3HG2 THR 63 1HG2 THR 63 -10.890 8.297 4.770 683 QG2 THR 63 QG2 THR 63 -11.598 7.901 4.149 684 H SER 64 HN SER 64 -13.706 8.433 0.835 685 HA SER 64 HA SER 64 -13.589 11.206 0.058 686 1HB SER 64 2HB SER 64 -12.551 10.200 -1.985 687 2HB SER 64 3HB SER 64 -13.997 9.194 -2.204 688 HG SER 64 HG SER 64 -15.204 11.086 -2.458 689 QB SER 64 QB SER 64 -13.274 9.697 -2.095 690 H ASP 65 HN ASP 65 -15.416 11.602 1.311 691 HA ASP 65 HA ASP 65 -17.958 11.030 0.185 692 1HB ASP 65 2HB ASP 65 -18.944 9.718 1.902 693 2HB ASP 65 3HB ASP 65 -17.467 8.859 1.483 694 QB ASP 65 QB ASP 65 -18.205 9.288 1.693 695 H SER 66 HN SER 66 -19.619 12.128 1.685 696 HA SER 66 HA SER 66 -20.297 14.198 2.462 697 1HB SER 66 2HB SER 66 -19.491 14.502 4.866 698 2HB SER 66 3HB SER 66 -20.274 12.969 4.457 699 HG SER 66 HG SER 66 -17.513 13.025 4.146 700 QB SER 66 QB SER 66 -19.883 13.736 4.662 701 H ASN 67 HN ASN 67 -19.165 15.349 0.665 702 HA ASN 67 HA ASN 67 -17.075 17.246 1.700 703 1HB ASN 67 2HB ASN 67 -16.076 15.776 0.076 704 2HB ASN 67 3HB ASN 67 -17.417 16.015 -1.054 705 1HD2 ASN 67 2HD2 ASN 67 -16.024 18.968 -2.418 706 2HD2 ASN 67 1HD2 ASN 67 -17.266 17.729 -2.505 707 QB ASN 67 QB ASN 67 -16.747 15.896 -0.489 708 QD2 ASN 67 QD2 ASN 67 -16.645 18.348 -2.462 709 H VAL 68 HN VAL 68 -18.548 18.835 2.357 710 HA VAL 68 HA VAL 68 -19.957 20.280 0.206 711 HB VAL 68 HB VAL 68 -21.176 19.398 2.862 712 1HG1 VAL 68 2HG1 VAL 68 -21.975 21.611 0.962 713 2HG1 VAL 68 3HG1 VAL 68 -23.234 20.685 1.790 714 3HG1 VAL 68 1HG1 VAL 68 -22.025 21.554 2.740 715 1HG2 VAL 68 2HG2 VAL 68 -21.348 17.775 0.888 716 2HG2 VAL 68 3HG2 VAL 68 -22.874 18.316 1.582 717 3HG2 VAL 68 1HG2 VAL 68 -22.296 19.028 0.060 718 QG1 VAL 68 QG1 VAL 68 -22.411 21.283 1.831 719 QG2 VAL 68 QG2 VAL 68 -22.173 18.373 0.843 720 QQG VAL 68 QQG VAL 68 -22.292 19.828 1.337 721 NH1 ARG 69 NH2 ARG 69 -18.490 29.900 1.585 722 NH2 ARG 69 NH1 ARG 69 -19.686 29.777 -0.396 723 H ARG 69 HN ARG 69 -19.969 22.515 0.630 724 HA ARG 69 HA ARG 69 -17.776 23.444 2.311 725 1HB ARG 69 2HB ARG 69 -18.589 24.206 -0.109 726 2HB ARG 69 3HB ARG 69 -19.703 25.234 0.794 727 1HG ARG 69 2HG ARG 69 -16.817 25.309 1.638 728 2HG ARG 69 3HG ARG 69 -17.130 25.875 0.002 729 1HD ARG 69 2HD ARG 69 -18.575 26.957 2.453 730 2HD ARG 69 3HD ARG 69 -17.084 27.628 1.763 731 HE ARG 69 HE ARG 69 -19.227 27.299 -0.184 732 1HH1 ARG 69 2HH2 ARG 69 -18.023 29.421 2.342 733 2HH1 ARG 69 1HH2 ARG 69 -18.586 30.902 1.631 734 1HH2 ARG 69 2HH1 ARG 69 -20.078 29.235 -1.153 735 2HH2 ARG 69 1HH1 ARG 69 -19.835 30.775 -0.397 736 QB ARG 69 QB ARG 69 -19.146 24.719 0.343 737 QG ARG 69 QG ARG 69 -16.973 25.592 0.820 738 QD ARG 69 QD ARG 69 -17.830 27.293 2.108 739 QH1 ARG 69 QH2 ARG 69 -18.304 30.162 1.986 740 QH2 ARG 69 QH1 ARG 69 -19.957 30.005 -0.775 Start of MODEL 20 Start of MODEL 20 1 H SER 1 HN SER 1 -2.730 10.074 2.744 2 HA SER 1 HA SER 1 -1.731 10.603 0.026 3 1HB SER 1 2HB SER 1 0.046 10.452 2.501 4 2HB SER 1 3HB SER 1 0.565 10.754 0.828 5 HG SER 1 HG SER 1 0.197 12.733 2.013 6 QB SER 1 QB SER 1 0.306 10.603 1.665 7 H ILE 2 HN ILE 2 -0.029 8.732 -0.542 8 HA ILE 2 HA ILE 2 -1.355 6.281 -0.123 9 HB ILE 2 HB ILE 2 1.536 6.553 -0.808 10 1HG1 ILE 2 2HG1 ILE 2 0.435 7.964 -2.415 11 2HG1 ILE 2 3HG1 ILE 2 0.852 6.461 -3.198 12 1HG2 ILE 2 3HG2 ILE 2 -0.475 4.346 -0.815 13 2HG2 ILE 2 1HG2 ILE 2 0.511 4.456 -2.260 14 3HG2 ILE 2 2HG2 ILE 2 1.301 4.318 -0.677 15 1HD1 ILE 2 3HD1 ILE 2 -1.572 5.690 -2.746 16 2HD1 ILE 2 1HD1 ILE 2 -1.892 7.356 -2.219 17 3HD1 ILE 2 2HD1 ILE 2 -1.389 7.035 -3.884 18 QG1 ILE 2 QG1 ILE 2 0.643 7.213 -2.806 19 QG2 ILE 2 QG2 ILE 2 0.445 4.374 -1.251 20 QD1 ILE 2 QD1 ILE 2 -1.618 6.694 -2.951 21 H SER 3 HN SER 3 1.447 7.708 1.677 22 HA SER 3 HA SER 3 1.884 5.920 3.670 23 1HB SER 3 2HB SER 3 2.981 8.030 3.775 24 2HB SER 3 3HB SER 3 1.453 8.907 3.959 25 HG SER 3 HG SER 3 2.908 8.257 5.876 26 QB SER 3 QB SER 3 2.217 8.469 3.867 27 H SER 4 HN SER 4 -0.961 8.145 3.774 28 HA SER 4 HA SER 4 -1.865 6.959 6.212 29 1HB SER 4 2HB SER 4 -3.960 8.232 5.744 30 2HB SER 4 3HB SER 4 -2.482 9.195 5.797 31 HG SER 4 HG SER 4 -3.885 8.328 3.502 32 QB SER 4 QB SER 4 -3.221 8.713 5.771 33 NH1 ARG 5 NH2 ARG 5 -4.653 8.905 -1.876 34 NH2 ARG 5 NH1 ARG 5 -4.964 7.404 -3.587 35 H ARG 5 HN ARG 5 -2.749 6.370 2.740 36 HA ARG 5 HA ARG 5 -4.823 4.548 3.375 37 1HB ARG 5 2HB ARG 5 -3.028 4.670 0.923 38 2HB ARG 5 3HB ARG 5 -4.287 3.598 1.018 39 1HG ARG 5 2HG ARG 5 -5.780 5.115 0.328 40 2HG ARG 5 3HG ARG 5 -5.489 6.051 1.775 41 1HD ARG 5 2HD ARG 5 -4.964 7.673 0.408 42 2HD ARG 5 3HD ARG 5 -3.393 6.878 0.250 43 HE ARG 5 HE ARG 5 -4.738 5.676 -1.754 44 1HH1 ARG 5 2HH2 ARG 5 -4.540 9.105 -0.900 45 2HH1 ARG 5 1HH2 ARG 5 -4.818 9.661 -2.525 46 1HH2 ARG 5 2HH1 ARG 5 -4.866 6.464 -3.955 47 2HH2 ARG 5 1HH1 ARG 5 -5.307 8.106 -4.241 48 QB ARG 5 QB ARG 5 -3.658 4.134 0.971 49 QG ARG 5 QG ARG 5 -5.634 5.583 1.051 50 QD ARG 5 QD ARG 5 -4.178 7.275 0.329 51 QH1 ARG 5 QH2 ARG 5 -4.678 9.383 -1.713 52 QH2 ARG 5 QH1 ARG 5 -5.087 7.285 -4.098 53 H VAL 6 HN VAL 6 -1.434 3.790 2.413 54 HA VAL 6 HA VAL 6 -1.560 1.007 2.820 55 HB VAL 6 HB VAL 6 0.778 2.890 3.179 56 1HG1 VAL 6 3HG1 VAL 6 1.191 0.580 4.123 57 2HG1 VAL 6 1HG1 VAL 6 0.903 -0.064 2.486 58 3HG1 VAL 6 2HG1 VAL 6 2.232 1.073 2.800 59 1HG2 VAL 6 2HG2 VAL 6 -0.645 1.943 0.772 60 2HG2 VAL 6 3HG2 VAL 6 0.538 3.236 0.994 61 3HG2 VAL 6 1HG2 VAL 6 1.099 1.594 0.719 62 QG1 VAL 6 QG1 VAL 6 1.443 0.530 3.136 63 QG2 VAL 6 QG2 VAL 6 0.330 2.258 0.828 64 QQG VAL 6 QQG VAL 6 0.886 1.394 1.982 65 H LYS 7 HN LYS 7 -0.334 3.546 5.098 66 HA LYS 7 HA LYS 7 0.214 1.936 7.291 67 1HB LYS 7 2HB LYS 7 0.760 4.346 7.049 68 2HB LYS 7 3HB LYS 7 -0.965 4.718 7.198 69 1HG LYS 7 2HG LYS 7 -0.462 3.323 9.556 70 2HG LYS 7 3HG LYS 7 1.074 4.152 9.253 71 1HD LYS 7 2HD LYS 7 -0.474 6.240 8.734 72 2HD LYS 7 3HD LYS 7 -1.715 5.345 9.609 73 1HE LYS 7 2HE LYS 7 1.025 6.272 10.629 74 2HE LYS 7 3HE LYS 7 -0.538 7.004 11.007 75 1HZ LYS 7 1HZ LYS 7 -1.157 4.931 12.100 76 2HZ LYS 7 2HZ LYS 7 0.347 4.317 11.824 77 3HZ LYS 7 3HZ LYS 7 0.158 5.635 12.786 78 QB LYS 7 QB LYS 7 -0.103 4.531 7.123 79 QG LYS 7 QG LYS 7 0.306 3.738 9.404 80 QD LYS 7 QD LYS 7 -1.094 5.792 9.171 81 QE LYS 7 QE LYS 7 0.243 6.638 10.818 82 QZ LYS 7 QZ LYS 7 -0.217 4.961 12.237 83 H SER 8 HN SER 8 -2.913 3.614 6.561 84 HA SER 8 HA SER 8 -4.302 2.803 8.881 85 1HB SER 8 2HB SER 8 -5.092 4.543 7.323 86 2HB SER 8 3HB SER 8 -5.376 3.323 6.067 87 HG SER 8 HG SER 8 -7.239 3.986 7.343 88 QB SER 8 QB SER 8 -5.235 3.933 6.695 89 H LYS 9 HN LYS 9 -4.111 1.244 5.628 90 HA LYS 9 HA LYS 9 -5.716 -0.928 6.476 91 1HB LYS 9 2HB LYS 9 -4.523 -0.132 4.027 92 2HB LYS 9 3HB LYS 9 -3.861 -1.727 4.379 93 1HG LYS 9 2HG LYS 9 -6.793 -0.973 4.307 94 2HG LYS 9 3HG LYS 9 -5.888 -1.855 3.070 95 1HD LYS 9 2HD LYS 9 -5.628 -3.813 4.489 96 2HD LYS 9 3HD LYS 9 -6.108 -2.934 5.918 97 1HE LYS 9 2HE LYS 9 -7.974 -4.142 5.553 98 2HE LYS 9 3HE LYS 9 -8.411 -2.583 4.831 99 1HZ LYS 9 2HZ LYS 9 -7.237 -4.091 2.859 100 2HZ LYS 9 3HZ LYS 9 -8.060 -5.169 3.661 101 3HZ LYS 9 1HZ LYS 9 -8.865 -3.914 2.986 102 QB LYS 9 QB LYS 9 -4.192 -0.929 4.203 103 QG LYS 9 QG LYS 9 -6.341 -1.414 3.687 104 QD LYS 9 QD LYS 9 -5.868 -3.373 5.203 105 QE LYS 9 QE LYS 9 -8.193 -3.362 5.192 106 QZ LYS 9 QZ LYS 9 -8.054 -4.391 3.169 107 NH1 ARG 10 NH2 ARG 10 3.255 1.276 9.613 108 NH2 ARG 10 NH1 ARG 10 3.201 2.379 7.577 109 H ARG 10 HN ARG 10 -2.218 -0.455 6.424 110 HA ARG 10 HA ARG 10 -1.223 -2.965 7.108 111 1HB ARG 10 2HB ARG 10 -0.055 -0.631 6.586 112 2HB ARG 10 3HB ARG 10 -0.157 -0.418 8.333 113 1HG ARG 10 2HG ARG 10 0.997 -2.872 8.177 114 2HG ARG 10 3HG ARG 10 1.552 -2.201 6.644 115 1HD ARG 10 2HD ARG 10 1.801 -0.920 9.391 116 2HD ARG 10 3HD ARG 10 3.111 -1.705 8.520 117 HE ARG 10 HE ARG 10 2.687 0.090 6.693 118 1HH1 ARG 10 2HH2 ARG 10 3.155 0.419 10.134 119 2HH1 ARG 10 1HH2 ARG 10 3.664 2.075 10.071 120 1HH2 ARG 10 2HH1 ARG 10 3.059 2.392 6.558 121 2HH2 ARG 10 1HH1 ARG 10 3.512 3.255 7.960 122 QB ARG 10 QB ARG 10 -0.107 -0.524 7.459 123 QG ARG 10 QG ARG 10 1.274 -2.536 7.410 124 QD ARG 10 QD ARG 10 2.456 -1.312 8.956 125 QH1 ARG 10 QH2 ARG 10 3.410 1.247 10.102 126 QH2 ARG 10 QH1 ARG 10 3.285 2.823 7.259 127 H ILE 11 HN ILE 11 -2.453 -0.328 9.189 128 HA ILE 11 HA ILE 11 -2.183 -1.659 11.692 129 HB ILE 11 HB ILE 11 -3.518 0.795 10.670 130 1HG1 ILE 11 2HG1 ILE 11 -2.870 1.460 13.086 131 2HG1 ILE 11 3HG1 ILE 11 -1.978 -0.054 13.149 132 1HG2 ILE 11 3HG2 ILE 11 -4.791 -0.579 13.060 133 2HG2 ILE 11 1HG2 ILE 11 -4.983 1.130 12.635 134 3HG2 ILE 11 2HG2 ILE 11 -5.587 -0.085 11.542 135 1HD1 ILE 11 2HD1 ILE 11 -0.773 0.728 11.019 136 2HD1 ILE 11 3HD1 ILE 11 -1.639 2.272 11.216 137 3HD1 ILE 11 1HD1 ILE 11 -0.484 1.738 12.455 138 QG1 ILE 11 QG1 ILE 11 -2.424 0.703 13.118 139 QG2 ILE 11 QG2 ILE 11 -5.120 0.155 12.413 140 QD1 ILE 11 QD1 ILE 11 -0.965 1.579 11.564 141 H GLN 12 HN GLN 12 -5.097 -1.342 9.620 142 HA GLN 12 HA GLN 12 -6.714 -3.062 11.137 143 1HB GLN 12 2HB GLN 12 -7.747 -1.762 9.512 144 2HB GLN 12 3HB GLN 12 -6.722 -2.345 8.196 145 1HG GLN 12 2HG GLN 12 -7.810 -4.399 8.039 146 2HG GLN 12 3HG GLN 12 -8.472 -4.311 9.680 147 1HE2 GLN 12 2HE2 GLN 12 -11.304 -2.334 8.839 148 2HE2 GLN 12 1HE2 GLN 12 -10.195 -2.740 10.135 149 QB GLN 12 QB GLN 12 -7.235 -2.054 8.854 150 QG GLN 12 QG GLN 12 -8.142 -4.354 8.859 151 QE2 GLN 12 QE2 GLN 12 -10.749 -2.537 9.487 152 H LEU 13 HN LEU 13 -4.381 -3.954 8.631 153 HA LEU 13 HA LEU 13 -4.841 -6.828 8.767 154 1HB LEU 13 2HB LEU 13 -2.911 -4.912 7.479 155 2HB LEU 13 3HB LEU 13 -2.303 -6.519 7.757 156 HG LEU 13 HG LEU 13 -3.486 -5.876 5.504 157 1HD1 LEU 13 2HD1 LEU 13 -3.454 -8.435 7.029 158 2HD1 LEU 13 3HD1 LEU 13 -4.400 -8.384 5.529 159 3HD1 LEU 13 1HD1 LEU 13 -2.676 -7.981 5.497 160 1HD2 LEU 13 1HD2 LEU 13 -5.666 -5.199 6.606 161 2HD2 LEU 13 2HD2 LEU 13 -5.778 -6.365 5.274 162 3HD2 LEU 13 3HD2 LEU 13 -5.949 -6.926 6.933 163 QB LEU 13 QB LEU 13 -2.606 -5.715 7.618 164 QD1 LEU 13 QD1 LEU 13 -3.510 -8.267 6.018 165 QD2 LEU 13 QD2 LEU 13 -5.798 -6.164 6.271 166 QQD LEU 13 QQD LEU 13 -4.654 -7.215 6.145 167 H GLY 14 HN GLY 14 -2.897 -4.547 10.597 168 1HA GLY 14 1HA GLY 14 -1.881 -4.814 12.624 169 2HA GLY 14 2HA GLY 14 -2.484 -6.480 12.710 170 QA GLY 14 QA GLY 14 -2.183 -5.647 12.667 171 H LEU 15 HN LEU 15 -0.517 -4.978 10.135 172 HA LEU 15 HA LEU 15 1.752 -6.850 10.770 173 1HB LEU 15 2HB LEU 15 0.691 -6.104 8.017 174 2HB LEU 15 3HB LEU 15 2.076 -7.143 8.360 175 HG LEU 15 HG LEU 15 -0.817 -7.773 9.066 176 1HD1 LEU 15 3HD1 LEU 15 -0.316 -7.881 6.641 177 2HD1 LEU 15 1HD1 LEU 15 1.030 -8.993 6.976 178 3HD1 LEU 15 2HD1 LEU 15 -0.639 -9.483 7.330 179 1HD2 LEU 15 1HD2 LEU 15 1.676 -9.516 9.352 180 2HD2 LEU 15 2HD2 LEU 15 0.742 -8.838 10.698 181 3HD2 LEU 15 3HD2 LEU 15 -0.001 -10.025 9.634 182 QB LEU 15 QB LEU 15 1.384 -6.623 8.188 183 QD1 LEU 15 QD1 LEU 15 0.025 -8.785 6.982 184 QD2 LEU 15 QD2 LEU 15 0.806 -9.459 9.895 185 QQD LEU 15 QQD LEU 15 0.415 -9.123 8.438 186 H ASN 16 HN ASN 16 3.755 -6.071 9.408 187 HA ASN 16 HA ASN 16 4.067 -3.148 9.924 188 1HB ASN 16 2HB ASN 16 6.459 -3.534 9.986 189 2HB ASN 16 3HB ASN 16 5.602 -4.442 11.234 190 1HD2 ASN 16 2HD2 ASN 16 8.037 -6.839 9.848 191 2HD2 ASN 16 1HD2 ASN 16 8.090 -5.397 10.843 192 QB ASN 16 QB ASN 16 6.031 -3.988 10.609 193 QD2 ASN 16 QD2 ASN 16 8.063 -6.118 10.345 194 H GLN 17 HN GLN 17 5.598 -2.110 8.308 195 HA GLN 17 HA GLN 17 4.498 -2.302 5.689 196 1HB GLN 17 2HB GLN 17 6.864 -0.888 6.877 197 2HB GLN 17 3HB GLN 17 6.770 -1.123 5.118 198 1HG GLN 17 2HG GLN 17 4.434 0.013 5.335 199 2HG GLN 17 3HG GLN 17 5.056 0.505 6.932 200 1HE2 GLN 17 2HE2 GLN 17 6.685 3.267 5.419 201 2HE2 GLN 17 1HE2 GLN 17 5.757 2.706 6.768 202 QB GLN 17 QB GLN 17 6.817 -1.006 5.998 203 QG GLN 17 QG GLN 17 4.745 0.259 6.134 204 QE2 GLN 17 QE2 GLN 17 6.221 2.986 6.094 205 H ALA 18 HN ALA 18 7.265 -3.931 7.205 206 HA ALA 18 HA ALA 18 8.475 -4.955 4.873 207 1HB ALA 18 2HB ALA 18 9.357 -4.890 7.298 208 2HB ALA 18 3HB ALA 18 8.463 -6.401 7.537 209 3HB ALA 18 1HB ALA 18 9.742 -6.313 6.318 210 QB ALA 18 QB ALA 18 9.187 -5.868 7.051 211 H GLU 19 HN GLU 19 6.165 -6.642 7.099 212 HA GLU 19 HA GLU 19 5.802 -8.983 5.513 213 1HB GLU 19 2HB GLU 19 4.124 -7.576 7.604 214 2HB GLU 19 3HB GLU 19 3.600 -9.067 6.844 215 1HG GLU 19 2HG GLU 19 6.268 -8.812 8.301 216 2HG GLU 19 3HG GLU 19 4.777 -9.430 9.024 217 QB GLU 19 QB GLU 19 3.862 -8.322 7.223 218 QG GLU 19 QG GLU 19 5.522 -9.121 8.662 219 H LEU 20 HN LEU 20 4.003 -5.900 5.655 220 HA LEU 20 HA LEU 20 2.098 -6.532 3.650 221 1HB LEU 20 2HB LEU 20 1.822 -4.696 5.044 222 2HB LEU 20 3HB LEU 20 3.351 -3.957 4.613 223 HG LEU 20 HG LEU 20 1.273 -4.398 2.443 224 1HD1 LEU 20 2HD1 LEU 20 0.239 -3.274 4.535 225 2HD1 LEU 20 3HD1 LEU 20 1.273 -1.896 4.154 226 3HD1 LEU 20 1HD1 LEU 20 0.078 -2.456 2.973 227 1HD2 LEU 20 1HD2 LEU 20 3.562 -2.500 3.038 228 2HD2 LEU 20 2HD2 LEU 20 3.311 -3.491 1.589 229 3HD2 LEU 20 3HD2 LEU 20 2.338 -2.037 1.858 230 QB LEU 20 QB LEU 20 2.587 -4.326 4.828 231 QD1 LEU 20 QD1 LEU 20 0.530 -2.542 3.887 232 QD2 LEU 20 QD2 LEU 20 3.070 -2.676 2.162 233 QQD LEU 20 QQD LEU 20 1.801 -2.610 3.024 234 H ALA 21 HN ALA 21 5.420 -5.132 3.283 235 HA ALA 21 HA ALA 21 5.315 -4.974 0.488 236 1HB ALA 21 1HB ALA 21 7.062 -3.898 1.953 237 2HB ALA 21 2HB ALA 21 7.800 -5.486 2.205 238 3HB ALA 21 3HB ALA 21 7.756 -4.793 0.580 239 QB ALA 21 QB ALA 21 7.539 -4.726 1.580 240 H GLN 22 HN GLN 22 6.433 -7.658 2.544 241 HA GLN 22 HA GLN 22 7.186 -9.427 0.424 242 1HB GLN 22 2HB GLN 22 6.058 -9.928 3.202 243 2HB GLN 22 3HB GLN 22 6.517 -11.232 2.104 244 1HG GLN 22 2HG GLN 22 8.819 -10.449 2.012 245 2HG GLN 22 3HG GLN 22 8.432 -9.036 3.004 246 1HE2 GLN 22 2HE2 GLN 22 7.850 -10.870 6.055 247 2HE2 GLN 22 1HE2 GLN 22 7.672 -9.380 5.178 248 QB GLN 22 QB GLN 22 6.288 -10.581 2.653 249 QG GLN 22 QG GLN 22 8.625 -9.743 2.508 250 QE2 GLN 22 QE2 GLN 22 7.761 -10.125 5.615 251 H LYS 23 HN LYS 23 3.997 -8.838 1.991 252 HA LYS 23 HA LYS 23 2.605 -10.732 0.406 253 1HB LYS 23 2HB LYS 23 2.026 -9.057 2.587 254 2HB LYS 23 3HB LYS 23 0.959 -8.459 1.328 255 1HG LYS 23 2HG LYS 23 0.151 -10.809 0.974 256 2HG LYS 23 3HG LYS 23 1.334 -11.345 2.190 257 1HD LYS 23 2HD LYS 23 -0.140 -9.278 3.461 258 2HD LYS 23 3HD LYS 23 -1.360 -10.190 2.581 259 1HE LYS 23 2HE LYS 23 0.698 -11.279 4.582 260 2HE LYS 23 3HE LYS 23 -1.026 -11.047 4.898 261 1HZ LYS 23 3HZ LYS 23 0.079 -12.920 2.904 262 2HZ LYS 23 1HZ LYS 23 -0.472 -13.332 4.393 263 3HZ LYS 23 2HZ LYS 23 -1.513 -12.727 3.271 264 QB LYS 23 QB LYS 23 1.493 -8.757 1.957 265 QG LYS 23 QG LYS 23 0.742 -11.077 1.582 266 QD LYS 23 QD LYS 23 -0.750 -9.735 3.021 267 QE LYS 23 QE LYS 23 -0.163 -11.164 4.740 268 QZ LYS 23 QZ LYS 23 -0.635 -12.993 3.523 269 H VAL 24 HN VAL 24 3.350 -7.334 -0.189 270 HA VAL 24 HA VAL 24 1.888 -7.120 -2.692 271 HB VAL 24 HB VAL 24 4.297 -5.618 -1.606 272 1HG1 VAL 24 3HG1 VAL 24 2.570 -5.208 -4.052 273 2HG1 VAL 24 1HG1 VAL 24 3.233 -3.810 -3.200 274 3HG1 VAL 24 2HG1 VAL 24 4.318 -5.016 -3.878 275 1HG2 VAL 24 2HG2 VAL 24 1.877 -5.564 -0.397 276 2HG2 VAL 24 3HG2 VAL 24 2.925 -4.140 -0.582 277 3HG2 VAL 24 1HG2 VAL 24 1.595 -4.428 -1.711 278 QG1 VAL 24 QG1 VAL 24 3.374 -4.678 -3.710 279 QG2 VAL 24 QG2 VAL 24 2.133 -4.711 -0.896 280 QQG VAL 24 QQG VAL 24 2.753 -4.694 -2.303 281 H GLY 25 HN GLY 25 5.042 -8.417 -1.733 282 1HA GLY 25 1HA GLY 25 6.436 -9.815 -2.942 283 2HA GLY 25 2HA GLY 25 5.466 -9.578 -4.406 284 QA GLY 25 QA GLY 25 5.952 -9.696 -3.674 285 H THR 26 HN THR 26 6.816 -7.071 -2.249 286 HA THR 26 HA THR 26 8.965 -6.463 -4.193 287 HB THR 26 HB THR 26 7.084 -4.957 -4.790 288 HG1 THR 26 1HG THR 26 8.522 -2.998 -4.399 289 1HG2 THR 26 2HG2 THR 26 6.177 -4.755 -2.415 290 2HG2 THR 26 3HG2 THR 26 7.526 -3.672 -2.083 291 3HG2 THR 26 1HG2 THR 26 6.315 -3.227 -3.304 292 QG2 THR 26 QG2 THR 26 6.673 -3.885 -2.600 293 H THR 27 HN THR 27 9.631 -4.089 -2.649 294 HA THR 27 HA THR 27 10.814 -5.366 -0.198 295 HB THR 27 HB THR 27 12.616 -3.506 -0.683 296 HG1 THR 27 1HG THR 27 11.418 -3.768 -3.250 297 1HG2 THR 27 3HG2 THR 27 12.263 -5.985 -2.458 298 2HG2 THR 27 1HG2 THR 27 13.772 -5.059 -2.315 299 3HG2 THR 27 2HG2 THR 27 13.110 -5.906 -0.901 300 QG2 THR 27 QG2 THR 27 13.048 -5.650 -1.892 301 H GLN 28 HN GLN 28 10.620 -4.234 1.692 302 HA GLN 28 HA GLN 28 8.751 -2.423 2.433 303 1HB GLN 28 2HB GLN 28 9.970 -3.197 4.191 304 2HB GLN 28 3HB GLN 28 11.511 -3.059 3.352 305 1HG GLN 28 2HG GLN 28 11.539 -1.652 5.248 306 2HG GLN 28 3HG GLN 28 11.593 -0.634 3.812 307 1HE2 GLN 28 2HE2 GLN 28 9.076 0.580 6.462 308 2HE2 GLN 28 1HE2 GLN 28 10.633 -0.175 6.745 309 QB GLN 28 QB GLN 28 10.740 -3.127 3.771 310 QG GLN 28 QG GLN 28 11.566 -1.143 4.529 311 QE2 GLN 28 QE2 GLN 28 9.855 0.202 6.604 312 H GLN 29 HN GLN 29 11.948 -1.438 1.150 313 HA GLN 29 HA GLN 29 11.665 1.277 1.231 314 1HB GLN 29 2HB GLN 29 13.279 1.414 -0.341 315 2HB GLN 29 3HB GLN 29 13.608 -0.141 0.410 316 1HG GLN 29 2HG GLN 29 13.949 -0.573 -1.830 317 2HG GLN 29 3HG GLN 29 12.250 -1.049 -1.645 318 1HE2 GLN 29 2HE2 GLN 29 12.782 2.628 -3.470 319 2HE2 GLN 29 1HE2 GLN 29 13.789 2.228 -2.076 320 QB GLN 29 QB GLN 29 13.444 0.637 0.034 321 QG GLN 29 QG GLN 29 13.099 -0.811 -1.738 322 QE2 GLN 29 QE2 GLN 29 13.286 2.428 -2.772 323 H SER 30 HN SER 30 10.326 -0.816 -1.261 324 HA SER 30 HA SER 30 9.285 1.199 -2.983 325 1HB SER 30 2HB SER 30 8.082 -1.529 -2.535 326 2HB SER 30 3HB SER 30 7.805 -0.457 -3.906 327 HG SER 30 HG SER 30 10.346 -0.678 -3.891 328 QB SER 30 QB SER 30 7.944 -0.993 -3.220 329 H ILE 31 HN ILE 31 7.919 -0.361 -0.025 330 HA ILE 31 HA ILE 31 5.339 0.893 -0.308 331 HB ILE 31 HB ILE 31 6.661 -0.470 2.079 332 1HG1 ILE 31 2HG1 ILE 31 5.286 -2.343 1.552 333 2HG1 ILE 31 3HG1 ILE 31 4.518 -1.477 0.178 334 1HG2 ILE 31 1HG2 ILE 31 4.699 1.137 2.559 335 2HG2 ILE 31 2HG2 ILE 31 3.723 0.111 1.515 336 3HG2 ILE 31 3HG2 ILE 31 4.438 -0.531 3.016 337 1HD1 ILE 31 3HD1 ILE 31 7.386 -2.282 0.266 338 2HD1 ILE 31 1HD1 ILE 31 6.091 -3.282 -0.417 339 3HD1 ILE 31 2HD1 ILE 31 6.410 -1.743 -1.156 340 QG1 ILE 31 QG1 ILE 31 4.901 -1.910 0.865 341 QG2 ILE 31 QG2 ILE 31 4.286 0.239 2.363 342 QD1 ILE 31 QD1 ILE 31 6.629 -2.435 -0.436 343 H GLU 32 HN GLU 32 8.227 1.383 1.823 344 HA GLU 32 HA GLU 32 7.326 3.730 3.046 345 1HB GLU 32 2HB GLU 32 9.279 2.719 3.868 346 2HB GLU 32 3HB GLU 32 10.158 2.906 2.338 347 1HG GLU 32 2HG GLU 32 10.305 5.306 2.609 348 2HG GLU 32 3HG GLU 32 9.150 5.297 3.949 349 QB GLU 32 QB GLU 32 9.718 2.812 3.103 350 QG GLU 32 QG GLU 32 9.727 5.301 3.279 351 H GLN 33 HN GLN 33 9.368 3.565 0.018 352 HA GLN 33 HA GLN 33 9.358 6.321 -0.427 353 1HB GLN 33 2HB GLN 33 10.128 5.932 -2.583 354 2HB GLN 33 3HB GLN 33 10.737 4.566 -1.599 355 1HG GLN 33 2HG GLN 33 8.860 3.241 -2.481 356 2HG GLN 33 3HG GLN 33 8.394 4.559 -3.562 357 1HE2 GLN 33 2HE2 GLN 33 10.213 2.563 -5.871 358 2HE2 GLN 33 1HE2 GLN 33 8.613 2.839 -5.199 359 QB GLN 33 QB GLN 33 10.432 5.249 -2.091 360 QG GLN 33 QG GLN 33 8.627 3.899 -3.022 361 QE2 GLN 33 QE2 GLN 33 9.413 2.700 -5.535 362 H LEU 34 HN LEU 34 6.999 3.912 -1.352 363 HA LEU 34 HA LEU 34 5.299 5.619 -2.957 364 1HB LEU 34 2HB LEU 34 5.338 3.195 -3.175 365 2HB LEU 34 3HB LEU 34 4.733 3.024 -1.508 366 HG LEU 34 HG LEU 34 2.724 4.484 -2.461 367 1HD1 LEU 34 1HD1 LEU 34 3.918 4.889 -4.629 368 2HD1 LEU 34 2HD1 LEU 34 3.718 3.161 -4.983 369 3HD1 LEU 34 3HD1 LEU 34 2.291 4.216 -4.767 370 1HD2 LEU 34 2HD2 LEU 34 3.148 1.684 -2.108 371 2HD2 LEU 34 3HD2 LEU 34 1.617 2.524 -2.127 372 3HD2 LEU 34 1HD2 LEU 34 2.257 1.880 -3.635 373 QB LEU 34 QB LEU 34 5.036 3.109 -2.341 374 QD1 LEU 34 QD1 LEU 34 3.309 4.089 -4.793 375 QD2 LEU 34 QD2 LEU 34 2.341 2.029 -2.623 376 QQD LEU 34 QQD LEU 34 2.825 3.059 -3.708 377 H GLU 35 HN GLU 35 5.089 4.506 0.382 378 HA GLU 35 HA GLU 35 2.853 5.819 1.293 379 1HB GLU 35 2HB GLU 35 5.404 4.982 2.725 380 2HB GLU 35 3HB GLU 35 4.199 5.956 3.529 381 1HG GLU 35 2HG GLU 35 2.505 4.100 2.759 382 2HG GLU 35 3HG GLU 35 3.933 3.136 2.528 383 QB GLU 35 QB GLU 35 4.801 5.470 3.127 384 QG GLU 35 QG GLU 35 3.219 3.618 2.645 385 H ASN 36 HN ASN 36 6.281 7.022 1.400 386 HA ASN 36 HA ASN 36 5.180 9.739 1.888 387 1HB ASN 36 2HB ASN 36 7.232 10.364 2.537 388 2HB ASN 36 3HB ASN 36 7.247 8.659 3.038 389 1HD2 ASN 36 2HD2 ASN 36 10.194 9.936 0.793 390 2HD2 ASN 36 1HD2 ASN 36 9.558 10.452 2.348 391 QB ASN 36 QB ASN 36 7.239 9.512 2.787 392 QD2 ASN 36 QD2 ASN 36 9.875 10.194 1.570 393 H GLY 37 HN GLY 37 5.230 7.980 -0.819 394 1HA GLY 37 1HA GLY 37 6.789 9.667 -2.639 395 2HA GLY 37 2HA GLY 37 5.801 8.240 -3.041 396 QA GLY 37 QA GLY 37 6.295 8.954 -2.840 397 H LYS 38 HN LYS 38 3.473 8.908 -1.802 398 HA LYS 38 HA LYS 38 1.458 9.840 -2.400 399 1HB LYS 38 2HB LYS 38 2.930 12.410 -2.949 400 2HB LYS 38 3HB LYS 38 1.301 12.165 -2.326 401 1HG LYS 38 2HG LYS 38 2.142 12.412 -0.246 402 2HG LYS 38 3HG LYS 38 2.891 10.851 -0.413 403 1HD LYS 38 2HD LYS 38 4.686 12.280 0.245 404 2HD LYS 38 3HD LYS 38 4.922 12.021 -1.464 405 1HE LYS 38 2HE LYS 38 5.336 14.281 -1.163 406 2HE LYS 38 3HE LYS 38 3.753 14.224 -1.941 407 1HZ LYS 38 3HZ LYS 38 4.249 14.594 0.943 408 2HZ LYS 38 1HZ LYS 38 3.828 15.774 -0.119 409 3HZ LYS 38 2HZ LYS 38 2.762 14.573 0.227 410 QB LYS 38 QB LYS 38 2.116 12.288 -2.637 411 QG LYS 38 QG LYS 38 2.517 11.632 -0.330 412 QD LYS 38 QD LYS 38 4.804 12.150 -0.610 413 QE LYS 38 QE LYS 38 4.544 14.252 -1.553 414 QZ LYS 38 QZ LYS 38 3.613 14.980 0.351 415 H THR 39 HN THR 39 2.558 8.295 -4.373 416 HA THR 39 HA THR 39 2.507 9.785 -6.881 417 HB THR 39 HB THR 39 3.975 7.736 -6.416 418 HG1 THR 39 1HG THR 39 3.898 7.320 -8.607 419 1HG2 THR 39 3HG2 THR 39 1.974 6.275 -5.714 420 2HG2 THR 39 1HG2 THR 39 1.500 6.274 -7.423 421 3HG2 THR 39 2HG2 THR 39 3.053 5.578 -6.948 422 QG2 THR 39 QG2 THR 39 2.176 6.042 -6.695 423 H LYS 40 HN LYS 40 1.136 9.238 -8.586 424 HA LYS 40 HA LYS 40 -1.683 9.423 -7.838 425 1HB LYS 40 2HB LYS 40 -0.172 9.494 -10.497 426 2HB LYS 40 3HB LYS 40 -1.924 9.658 -10.351 427 1HG LYS 40 2HG LYS 40 -1.803 11.785 -9.791 428 2HG LYS 40 3HG LYS 40 -0.697 11.499 -8.463 429 1HD LYS 40 2HD LYS 40 0.165 11.813 -11.393 430 2HD LYS 40 3HD LYS 40 0.017 13.121 -10.236 431 1HE LYS 40 2HE LYS 40 2.179 12.838 -9.862 432 2HE LYS 40 3HE LYS 40 1.667 11.587 -8.737 433 1HZ LYS 40 3HZ LYS 40 2.290 11.002 -11.561 434 2HZ LYS 40 1HZ LYS 40 3.471 11.110 -10.432 435 3HZ LYS 40 2HZ LYS 40 2.319 9.958 -10.287 436 QB LYS 40 QB LYS 40 -1.048 9.576 -10.425 437 QG LYS 40 QG LYS 40 -1.250 11.642 -9.127 438 QD LYS 40 QD LYS 40 0.091 12.467 -10.814 439 QE LYS 40 QE LYS 40 1.924 12.213 -9.300 440 QZ LYS 40 QZ LYS 40 2.693 10.690 -10.760 441 NH1 ARG 41 NH2 ARG 41 -2.005 4.310 -14.612 442 NH2 ARG 41 NH1 ARG 41 -3.378 2.591 -15.345 443 H ARG 41 HN ARG 41 0.314 7.208 -9.863 444 HA ARG 41 HA ARG 41 -1.404 4.980 -9.063 445 1HB ARG 41 2HB ARG 41 -2.429 6.063 -11.053 446 2HB ARG 41 3HB ARG 41 -1.026 5.602 -12.013 447 1HG ARG 41 2HG ARG 41 -2.541 3.537 -10.362 448 2HG ARG 41 3HG ARG 41 -3.267 4.152 -11.835 449 1HD ARG 41 2HD ARG 41 -0.542 3.319 -12.466 450 2HD ARG 41 3HD ARG 41 -1.323 2.082 -11.501 451 HE ARG 41 HE ARG 41 -2.693 1.505 -13.175 452 1HH1 ARG 41 2HH2 ARG 41 -1.398 4.679 -13.896 453 2HH1 ARG 41 1HH2 ARG 41 -2.174 4.856 -15.443 454 1HH2 ARG 41 2HH1 ARG 41 -3.818 1.694 -15.197 455 2HH2 ARG 41 1HH1 ARG 41 -3.597 3.094 -16.193 456 QB ARG 41 QB ARG 41 -1.727 5.832 -11.533 457 QG ARG 41 QG ARG 41 -2.904 3.845 -11.098 458 QD ARG 41 QD ARG 41 -0.933 2.700 -11.984 459 QH1 ARG 41 QH2 ARG 41 -1.786 4.767 -14.670 460 QH2 ARG 41 QH1 ARG 41 -3.708 2.395 -15.695 461 HA PRO 42 HA PRO 42 3.010 3.627 -9.395 462 1HB PRO 42 2HB PRO 42 2.849 1.598 -7.503 463 2HB PRO 42 3HB PRO 42 3.081 3.294 -7.107 464 1HG PRO 42 2HG PRO 42 0.612 1.625 -7.025 465 2HG PRO 42 3HG PRO 42 1.058 2.891 -5.890 466 1HD PRO 42 2HD PRO 42 -0.731 3.198 -8.057 467 2HD PRO 42 3HD PRO 42 0.062 4.548 -7.201 468 QB PRO 42 QB PRO 42 2.965 2.446 -7.305 469 QG PRO 42 QG PRO 42 0.835 2.259 -6.458 470 QD PRO 42 QD PRO 42 -0.334 3.873 -7.629 471 NH1 ARG 43 NH2 ARG 43 6.681 -0.472 -15.110 472 NH2 ARG 43 NH1 ARG 43 7.607 -2.486 -14.439 473 H ARG 43 HN ARG 43 3.760 1.188 -9.452 474 HA ARG 43 HA ARG 43 2.212 -0.154 -11.582 475 1HB ARG 43 2HB ARG 43 5.033 -0.205 -10.485 476 2HB ARG 43 3HB ARG 43 4.439 -1.675 -11.250 477 1HG ARG 43 2HG ARG 43 3.869 0.886 -12.717 478 2HG ARG 43 3HG ARG 43 5.563 0.410 -12.634 479 1HD ARG 43 2HD ARG 43 3.408 -1.607 -13.393 480 2HD ARG 43 3HD ARG 43 4.061 -0.541 -14.614 481 HE ARG 43 HE ARG 43 5.377 -2.803 -13.292 482 1HH1 ARG 43 2HH2 ARG 43 5.912 0.180 -15.076 483 2HH1 ARG 43 1HH2 ARG 43 7.503 -0.225 -15.640 484 1HH2 ARG 43 2HH1 ARG 43 7.552 -3.353 -13.922 485 2HH2 ARG 43 1HH1 ARG 43 8.464 -2.279 -14.928 486 QB ARG 43 QB ARG 43 4.736 -0.940 -10.868 487 QG ARG 43 QG ARG 43 4.716 0.648 -12.676 488 QD ARG 43 QD ARG 43 3.734 -1.074 -14.004 489 QH1 ARG 43 QH2 ARG 43 6.708 -0.023 -15.358 490 QH2 ARG 43 QH1 ARG 43 8.008 -2.815 -14.425 491 H PHE 44 HN PHE 44 3.081 -0.640 -8.184 492 HA PHE 44 HA PHE 44 1.879 -3.369 -8.329 493 1HB PHE 44 2HB PHE 44 2.873 -3.695 -6.133 494 2HB PHE 44 3HB PHE 44 4.050 -3.334 -7.375 495 HD1 PHE 44 1HD PHE 44 2.326 -2.069 -4.368 496 HD2 PHE 44 2HD PHE 44 5.307 -1.189 -7.350 497 HE1 PHE 44 1HE PHE 44 3.301 -0.377 -2.880 498 HE2 PHE 44 2HE PHE 44 6.096 0.726 -5.976 499 HZ PHE 44 HZ PHE 44 5.159 1.075 -3.697 500 QB PHE 44 QB PHE 44 3.461 -3.515 -6.754 501 QR PHE 44 QR PHE 44 4.258 -0.727 -5.144 502 H LEU 45 HN LEU 45 0.392 -0.689 -8.438 503 HA LEU 45 HA LEU 45 -0.930 -0.393 -5.943 504 1HB LEU 45 2HB LEU 45 -1.043 1.087 -8.237 505 2HB LEU 45 3HB LEU 45 -2.457 0.107 -8.485 506 HG LEU 45 HG LEU 45 -3.347 0.718 -6.311 507 1HD1 LEU 45 3HD1 LEU 45 -1.083 1.602 -5.266 508 2HD1 LEU 45 1HD1 LEU 45 -1.474 3.114 -6.083 509 3HD1 LEU 45 2HD1 LEU 45 -2.544 2.493 -4.916 510 1HD2 LEU 45 1HD2 LEU 45 -3.584 2.037 -8.667 511 2HD2 LEU 45 2HD2 LEU 45 -4.509 2.443 -7.227 512 3HD2 LEU 45 3HD2 LEU 45 -3.067 3.374 -7.633 513 QB LEU 45 QB LEU 45 -1.750 0.597 -8.361 514 QD1 LEU 45 QD1 LEU 45 -1.700 2.403 -5.422 515 QD2 LEU 45 QD2 LEU 45 -3.720 2.619 -7.842 516 QQD LEU 45 QQD LEU 45 -2.710 2.511 -6.632 517 HA PRO 46 HA PRO 46 -4.263 -3.415 -7.459 518 1HB PRO 46 2HB PRO 46 -3.435 -5.386 -9.280 519 2HB PRO 46 3HB PRO 46 -4.475 -3.977 -9.615 520 1HG PRO 46 2HG PRO 46 -1.676 -4.409 -10.391 521 2HG PRO 46 3HG PRO 46 -2.834 -3.205 -11.000 522 1HD PRO 46 2HD PRO 46 -0.693 -2.856 -9.148 523 2HD PRO 46 3HD PRO 46 -1.835 -1.613 -9.700 524 QB PRO 46 QB PRO 46 -3.955 -4.682 -9.448 525 QG PRO 46 QG PRO 46 -2.255 -3.806 -10.695 526 QD PRO 46 QD PRO 46 -1.264 -2.234 -9.424 527 H GLU 47 HN GLU 47 -0.863 -4.602 -7.570 528 HA GLU 47 HA GLU 47 -1.279 -6.996 -6.174 529 1HB GLU 47 2HB GLU 47 1.132 -5.163 -6.364 530 2HB GLU 47 3HB GLU 47 1.183 -6.732 -5.557 531 1HG GLU 47 2HG GLU 47 1.991 -6.805 -7.921 532 2HG GLU 47 3HG GLU 47 0.655 -7.919 -7.582 533 QB GLU 47 QB GLU 47 1.157 -5.947 -5.960 534 QG GLU 47 QG GLU 47 1.323 -7.362 -7.752 535 H LEU 48 HN LEU 48 -0.266 -3.799 -4.838 536 HA LEU 48 HA LEU 48 -0.440 -4.599 -2.091 537 1HB LEU 48 2HB LEU 48 0.740 -2.531 -2.863 538 2HB LEU 48 3HB LEU 48 -0.813 -1.866 -3.375 539 HG LEU 48 HG LEU 48 -1.531 -2.140 -0.894 540 1HD1 LEU 48 2HD1 LEU 48 1.505 -2.309 -0.603 541 2HD1 LEU 48 3HD1 LEU 48 0.413 -1.873 0.703 542 3HD1 LEU 48 1HD1 LEU 48 0.307 -3.494 0.003 543 1HD2 LEU 48 3HD2 LEU 48 -0.958 0.033 -2.081 544 2HD2 LEU 48 1HD2 LEU 48 -0.798 -0.006 -0.324 545 3HD2 LEU 48 2HD2 LEU 48 0.652 -0.097 -1.346 546 QB LEU 48 QB LEU 48 -0.037 -2.199 -3.120 547 QD1 LEU 48 QD1 LEU 48 0.742 -2.559 0.034 548 QD2 LEU 48 QD2 LEU 48 -0.368 -0.023 -1.250 549 QQD LEU 48 QQD LEU 48 0.187 -1.291 -0.608 550 H ALA 49 HN ALA 49 -2.877 -3.190 -4.332 551 HA ALA 49 HA ALA 49 -4.822 -2.892 -2.388 552 1HB ALA 49 2HB ALA 49 -5.115 -3.510 -5.357 553 2HB ALA 49 3HB ALA 49 -6.504 -3.183 -4.321 554 3HB ALA 49 1HB ALA 49 -5.290 -1.939 -4.560 555 QB ALA 49 QB ALA 49 -5.637 -2.877 -4.746 556 H SER 50 HN SER 50 -4.326 -5.730 -4.519 557 HA SER 50 HA SER 50 -6.394 -7.291 -3.307 558 1HB SER 50 2HB SER 50 -4.483 -7.627 -5.455 559 2HB SER 50 3HB SER 50 -4.371 -9.032 -4.394 560 HG SER 50 HG SER 50 -6.219 -9.634 -5.210 561 QB SER 50 QB SER 50 -4.427 -8.331 -4.925 562 H ALA 51 HN ALA 51 -2.879 -7.044 -2.658 563 HA ALA 51 HA ALA 51 -2.682 -9.157 -0.802 564 1HB ALA 51 3HB ALA 51 -0.741 -8.064 -1.835 565 2HB ALA 51 1HB ALA 51 -1.102 -6.556 -0.962 566 3HB ALA 51 2HB ALA 51 -0.635 -8.009 -0.067 567 QB ALA 51 QB ALA 51 -0.826 -7.543 -0.955 568 H LEU 52 HN LEU 52 -3.286 -5.668 -0.241 569 HA LEU 52 HA LEU 52 -3.740 -5.999 2.627 570 1HB LEU 52 2HB LEU 52 -4.116 -3.747 0.614 571 2HB LEU 52 3HB LEU 52 -4.745 -3.620 2.244 572 HG LEU 52 HG LEU 52 -1.811 -4.060 1.613 573 1HD1 LEU 52 3HD1 LEU 52 -3.441 -1.665 1.526 574 2HD1 LEU 52 1HD1 LEU 52 -2.310 -1.525 2.882 575 3HD1 LEU 52 2HD1 LEU 52 -1.710 -1.849 1.283 576 1HD2 LEU 52 1HD2 LEU 52 -3.435 -3.994 4.146 577 2HD2 LEU 52 2HD2 LEU 52 -1.983 -4.928 3.751 578 3HD2 LEU 52 3HD2 LEU 52 -1.868 -3.221 4.192 579 QB LEU 52 QB LEU 52 -4.431 -3.683 1.429 580 QD1 LEU 52 QD1 LEU 52 -2.487 -1.680 1.897 581 QD2 LEU 52 QD2 LEU 52 -2.428 -4.047 4.030 582 QQD LEU 52 QQD LEU 52 -2.458 -2.864 2.963 583 H GLY 53 HN GLY 53 -5.744 -6.075 -0.296 584 1HA GLY 53 1HA GLY 53 -7.910 -6.807 -0.536 585 2HA GLY 53 2HA GLY 53 -8.095 -6.952 1.217 586 QA GLY 53 QA GLY 53 -8.003 -6.879 0.341 587 H VAL 54 HN VAL 54 -7.377 -4.337 -1.165 588 HA VAL 54 HA VAL 54 -9.756 -2.825 -0.215 589 HB VAL 54 HB VAL 54 -8.656 -0.703 -0.439 590 1HG1 VAL 54 3HG1 VAL 54 -8.483 -1.782 1.766 591 2HG1 VAL 54 1HG1 VAL 54 -6.921 -2.491 1.272 592 3HG1 VAL 54 2HG1 VAL 54 -7.100 -0.725 1.420 593 1HG2 VAL 54 3HG2 VAL 54 -6.677 -2.181 -1.902 594 2HG2 VAL 54 1HG2 VAL 54 -6.905 -0.457 -1.799 595 3HG2 VAL 54 2HG2 VAL 54 -5.864 -1.278 -0.614 596 QG1 VAL 54 QG1 VAL 54 -7.501 -1.666 1.486 597 QG2 VAL 54 QG2 VAL 54 -6.482 -1.305 -1.439 598 QQG VAL 54 QQG VAL 54 -6.991 -1.486 0.024 599 H SER 55 HN SER 55 -10.253 -1.100 -2.071 600 HA SER 55 HA SER 55 -10.179 -2.610 -4.602 601 1HB SER 55 2HB SER 55 -11.981 -1.024 -5.154 602 2HB SER 55 3HB SER 55 -12.324 -1.961 -3.720 603 HG SER 55 HG SER 55 -12.293 0.630 -3.884 604 QB SER 55 QB SER 55 -12.153 -1.492 -4.437 605 H VAL 56 HN VAL 56 -9.395 -1.683 -6.509 606 HA VAL 56 HA VAL 56 -7.081 -0.040 -6.266 607 HB VAL 56 HB VAL 56 -8.752 -0.918 -8.635 608 1HG1 VAL 56 3HG1 VAL 56 -6.150 0.666 -8.582 609 2HG1 VAL 56 1HG1 VAL 56 -6.753 -0.207 -10.011 610 3HG1 VAL 56 2HG1 VAL 56 -7.687 1.136 -9.341 611 1HG2 VAL 56 3HG2 VAL 56 -7.133 -2.464 -7.094 612 2HG2 VAL 56 1HG2 VAL 56 -7.257 -2.669 -8.847 613 3HG2 VAL 56 2HG2 VAL 56 -5.906 -1.758 -8.151 614 QG1 VAL 56 QG1 VAL 56 -6.863 0.532 -9.311 615 QG2 VAL 56 QG2 VAL 56 -6.765 -2.296 -8.031 616 QQG VAL 56 QQG VAL 56 -6.814 -0.883 -8.671 617 H ASP 57 HN ASP 57 -10.451 0.717 -7.319 618 HA ASP 57 HA ASP 57 -10.233 3.439 -7.927 619 1HB ASP 57 2HB ASP 57 -12.595 3.495 -6.831 620 2HB ASP 57 3HB ASP 57 -12.337 2.448 -8.248 621 QB ASP 57 QB ASP 57 -12.466 2.971 -7.539 622 CH2 TRP 58 CH2 TRP 58 -6.477 2.779 1.831 623 H TRP 58 HN TRP 58 -10.363 1.872 -4.681 624 HA TRP 58 HA TRP 58 -10.325 4.452 -3.324 625 1HB TRP 58 2HB TRP 58 -11.239 2.530 -2.174 626 2HB TRP 58 3HB TRP 58 -9.694 1.684 -2.275 627 HD1 TRP 58 HD1 TRP 58 -11.255 4.754 -0.562 628 HE1 TRP 58 HE1 TRP 58 -9.991 5.280 1.569 629 HE3 TRP 58 HE3 TRP 58 -7.316 1.621 -1.258 630 HZ2 TRP 58 HZ2 TRP 58 -7.540 4.307 2.917 631 HZ3 TRP 58 HZ3 TRP 58 -5.451 1.554 0.404 632 HH2 TRP 58 HH2 TRP 58 -5.639 2.740 2.506 633 QB TRP 58 QB TRP 58 -10.467 2.108 -2.225 634 H LEU 59 HN LEU 59 -7.802 1.915 -4.026 635 HA LEU 59 HA LEU 59 -5.732 3.504 -2.940 636 1HB LEU 59 2HB LEU 59 -5.906 1.110 -4.615 637 2HB LEU 59 3HB LEU 59 -4.557 2.120 -5.038 638 HG LEU 59 HG LEU 59 -5.205 0.887 -2.365 639 1HD1 LEU 59 1HD1 LEU 59 -3.978 -0.324 -4.366 640 2HD1 LEU 59 2HD1 LEU 59 -2.562 0.518 -3.764 641 3HD1 LEU 59 3HD1 LEU 59 -3.443 -0.580 -2.695 642 1HD2 LEU 59 2HD2 LEU 59 -3.173 3.062 -2.895 643 2HD2 LEU 59 3HD2 LEU 59 -4.222 2.812 -1.491 644 3HD2 LEU 59 1HD2 LEU 59 -2.808 1.791 -1.716 645 QB LEU 59 QB LEU 59 -5.231 1.615 -4.827 646 QD1 LEU 59 QD1 LEU 59 -3.327 -0.129 -3.608 647 QD2 LEU 59 QD2 LEU 59 -3.401 2.555 -2.034 648 QQD LEU 59 QQD LEU 59 -3.364 1.213 -2.821 649 H LEU 60 HN LEU 60 -7.347 3.957 -6.024 650 HA LEU 60 HA LEU 60 -5.459 6.000 -6.957 651 1HB LEU 60 2HB LEU 60 -8.247 5.222 -7.868 652 2HB LEU 60 3HB LEU 60 -7.223 6.405 -8.686 653 HG LEU 60 HG LEU 60 -6.413 3.492 -8.277 654 1HD1 LEU 60 2HD1 LEU 60 -8.447 3.651 -9.671 655 2HD1 LEU 60 3HD1 LEU 60 -7.630 4.823 -10.726 656 3HD1 LEU 60 1HD1 LEU 60 -7.038 3.152 -10.622 657 1HD2 LEU 60 3HD2 LEU 60 -5.301 5.655 -10.113 658 2HD2 LEU 60 1HD2 LEU 60 -4.487 4.990 -8.681 659 3HD2 LEU 60 2HD2 LEU 60 -4.819 3.946 -10.068 660 QB LEU 60 QB LEU 60 -7.736 5.814 -8.277 661 QD1 LEU 60 QD1 LEU 60 -7.705 3.875 -10.340 662 QD2 LEU 60 QD2 LEU 60 -4.869 4.864 -9.620 663 QQD LEU 60 QQD LEU 60 -6.287 4.369 -9.980 664 H ASN 61 HN ASN 61 -8.779 6.059 -5.585 665 HA ASN 61 HA ASN 61 -8.714 8.965 -5.211 666 1HB ASN 61 2HB ASN 61 -10.767 6.885 -4.369 667 2HB ASN 61 3HB ASN 61 -10.880 8.622 -4.057 668 1HD2 ASN 61 2HD2 ASN 61 -11.564 7.216 -7.846 669 2HD2 ASN 61 1HD2 ASN 61 -10.861 6.161 -6.619 670 QB ASN 61 QB ASN 61 -10.823 7.754 -4.213 671 QD2 ASN 61 QD2 ASN 61 -11.213 6.689 -7.232 672 H GLY 62 HN GLY 62 -9.294 6.392 -2.717 673 1HA GLY 62 1HA GLY 62 -8.125 6.098 -0.758 674 2HA GLY 62 2HA GLY 62 -7.164 7.519 -1.082 675 QA GLY 62 QA GLY 62 -7.644 6.809 -0.920 676 H THR 63 HN THR 63 -10.566 6.776 -0.557 677 HA THR 63 HA THR 63 -10.845 8.772 1.619 678 HB THR 63 HB THR 63 -13.150 8.939 0.392 679 HG1 THR 63 1HG THR 63 -12.944 8.573 -1.861 680 1HG2 THR 63 2HG2 THR 63 -11.443 10.795 0.526 681 2HG2 THR 63 3HG2 THR 63 -10.657 10.143 -0.926 682 3HG2 THR 63 1HG2 THR 63 -12.306 10.788 -1.023 683 QG2 THR 63 QG2 THR 63 -11.469 10.575 -0.475 684 H SER 64 HN SER 64 -11.133 7.449 3.377 685 HA SER 64 HA SER 64 -13.577 6.038 3.567 686 1HB SER 64 2HB SER 64 -12.007 4.228 2.539 687 2HB SER 64 3HB SER 64 -11.153 4.275 4.103 688 HG SER 64 HG SER 64 -12.912 2.715 3.940 689 QB SER 64 QB SER 64 -11.580 4.251 3.322 690 H ASP 65 HN ASP 65 -13.501 4.903 5.847 691 HA ASP 65 HA ASP 65 -12.761 6.868 7.863 692 1HB ASP 65 2HB ASP 65 -14.106 4.172 7.787 693 2HB ASP 65 3HB ASP 65 -13.158 4.473 9.234 694 QB ASP 65 QB ASP 65 -13.632 4.322 8.510 695 H SER 66 HN SER 66 -11.304 6.533 9.548 696 HA SER 66 HA SER 66 -9.385 6.042 10.562 697 1HB SER 66 2HB SER 66 -10.129 3.658 10.177 698 2HB SER 66 3HB SER 66 -8.987 3.590 8.827 699 HG SER 66 HG SER 66 -7.327 3.863 10.228 700 QB SER 66 QB SER 66 -9.558 3.624 9.502 701 H ASN 67 HN ASN 67 -7.889 7.483 10.237 702 HA ASN 67 HA ASN 67 -5.979 7.487 8.049 703 1HB ASN 67 2HB ASN 67 -7.890 8.471 6.875 704 2HB ASN 67 3HB ASN 67 -8.129 9.658 8.165 705 1HD2 ASN 67 2HD2 ASN 67 -5.408 11.754 7.077 706 2HD2 ASN 67 1HD2 ASN 67 -6.399 11.386 8.457 707 QB ASN 67 QB ASN 67 -8.010 9.065 7.521 708 QD2 ASN 67 QD2 ASN 67 -5.903 11.570 7.768 709 H VAL 68 HN VAL 68 -7.589 9.381 10.584 710 HA VAL 68 HA VAL 68 -6.953 10.442 12.370 711 HB VAL 68 HB VAL 68 -5.268 9.892 13.670 712 1HG1 VAL 68 3HG1 VAL 68 -6.273 7.770 12.720 713 2HG1 VAL 68 1HG1 VAL 68 -4.783 7.599 11.762 714 3HG1 VAL 68 2HG1 VAL 68 -4.706 7.617 13.523 715 1HG2 VAL 68 1HG2 VAL 68 -3.304 9.921 11.378 716 2HG2 VAL 68 2HG2 VAL 68 -3.274 10.821 12.902 717 3HG2 VAL 68 3HG2 VAL 68 -2.945 9.107 12.907 718 QG1 VAL 68 QG1 VAL 68 -5.254 7.662 12.668 719 QG2 VAL 68 QG2 VAL 68 -3.174 9.949 12.396 720 QQG VAL 68 QQG VAL 68 -4.214 8.805 12.532 721 NH1 ARG 69 NH2 ARG 69 -6.977 17.046 12.069 722 NH2 ARG 69 NH1 ARG 69 -5.889 17.734 10.139 723 H ARG 69 HN ARG 69 -4.660 12.133 12.845 724 HA ARG 69 HA ARG 69 -5.148 14.368 11.066 725 1HB ARG 69 2HB ARG 69 -3.090 13.659 13.192 726 2HB ARG 69 3HB ARG 69 -2.913 15.108 12.224 727 1HG ARG 69 2HG ARG 69 -5.645 14.833 13.352 728 2HG ARG 69 3HG ARG 69 -4.387 14.881 14.589 729 1HD ARG 69 2HD ARG 69 -5.145 17.189 14.078 730 2HD ARG 69 3HD ARG 69 -3.453 16.935 13.698 731 HE ARG 69 HE ARG 69 -3.814 17.227 11.464 732 1HH1 ARG 69 2HH2 ARG 69 -6.915 16.683 13.007 733 2HH1 ARG 69 1HH2 ARG 69 -7.885 17.171 11.651 734 1HH2 ARG 69 2HH1 ARG 69 -5.034 17.890 9.625 735 2HH2 ARG 69 1HH1 ARG 69 -6.767 17.890 9.667 736 QB ARG 69 QB ARG 69 -3.002 14.384 12.709 737 QG ARG 69 QG ARG 69 -5.016 14.857 13.970 738 QD ARG 69 QD ARG 69 -4.299 17.062 13.888 739 QH1 ARG 69 QH2 ARG 69 -7.400 16.927 12.329 740 QH2 ARG 69 QH1 ARG 69 -5.900 17.890 9.646 No H/Q in entry = 740
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