NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26478 | 2kl1 | 16378 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -14.291 -15.861 -1.421 2 H2 MET 1 2H MET 1 -15.118 -14.559 -0.708 3 H3 MET 1 3H MET 1 -15.163 -14.780 -2.393 4 HA MET 1 HA MET 1 -17.234 -15.484 -1.314 5 HB2 MET 1 1HB MET 1 -17.192 -17.837 -2.318 6 HB3 MET 1 2HB MET 1 -16.716 -16.536 -3.407 7 HG2 MET 1 1HG MET 1 -14.363 -17.008 -3.037 8 HG3 MET 1 2HG MET 1 -14.756 -18.212 -1.812 9 HE1 MET 1 3HE MET 1 -14.808 -20.742 -2.416 10 HE2 MET 1 1HE MET 1 -16.052 -21.222 -3.582 11 HE3 MET 1 2HE MET 1 -16.444 -20.108 -2.276 12 H ASN 2 H ASN 2 -15.252 -15.400 0.848 13 HA ASN 2 HA ASN 2 -16.424 -17.415 2.556 14 HB2 ASN 2 1HB ASN 2 -14.317 -18.497 3.184 15 HB3 ASN 2 2HB ASN 2 -14.657 -18.736 1.471 16 HD21 ASN 2 2HD2 ASN 2 -12.088 -19.100 1.793 17 HD22 ASN 2 1HD2 ASN 2 -11.146 -17.728 1.464 18 H GLU 3 H GLU 3 -16.342 -14.558 2.509 19 HA GLU 3 HA GLU 3 -15.965 -12.756 3.886 20 HB2 GLU 3 1HB GLU 3 -15.735 -15.025 5.878 21 HB3 GLU 3 2HB GLU 3 -15.818 -13.322 6.334 22 HG2 GLU 3 1HG GLU 3 -17.992 -13.103 5.215 23 HG3 GLU 3 2HG GLU 3 -17.909 -14.783 4.690 24 H ALA 4 H ALA 4 -13.968 -12.354 2.693 25 HA ALA 4 HA ALA 4 -11.435 -13.287 3.483 26 HB1 ALA 4 3HB ALA 4 -11.865 -12.174 1.334 27 HB2 ALA 4 1HB ALA 4 -10.548 -11.391 2.209 28 HB3 ALA 4 2HB ALA 4 -12.150 -10.652 2.180 29 H LYS 5 H LYS 5 -12.756 -10.016 4.083 30 HA LYS 5 HA LYS 5 -12.405 -8.505 5.767 31 HB2 LYS 5 1HB LYS 5 -11.966 -11.050 7.352 32 HB3 LYS 5 2HB LYS 5 -11.976 -9.450 8.080 33 HG2 LYS 5 1HG LYS 5 -14.256 -9.066 7.277 34 HG3 LYS 5 2HG LYS 5 -14.257 -10.638 6.475 35 HD2 LYS 5 1HD LYS 5 -14.047 -11.788 8.603 36 HD3 LYS 5 2HD LYS 5 -13.844 -10.259 9.458 37 HE2 LYS 5 1HE LYS 5 -16.146 -11.052 9.721 38 HE3 LYS 5 2HE LYS 5 -16.132 -9.585 8.743 39 HZ1 LYS 5 3HZ LYS 5 -15.856 -11.481 6.876 40 HZ2 LYS 5 1HZ LYS 5 -17.345 -10.818 7.342 41 HZ3 LYS 5 2HZ LYS 5 -16.828 -12.294 8.009 42 H GLY 6 H GLY 6 -10.629 -7.607 4.717 43 HA2 GLY 6 1HA GLY 6 -7.939 -8.346 5.780 44 HA3 GLY 6 2HA GLY 6 -8.224 -7.651 4.190 45 H VAL 7 H VAL 7 -8.132 -5.513 3.955 46 HA VAL 7 HA VAL 7 -8.292 -3.741 6.327 47 HB VAL 7 HB VAL 7 -6.162 -3.618 4.176 48 HG11 VAL 7 1HG1 VAL 7 -6.703 -1.398 4.976 49 HG12 VAL 7 2HG1 VAL 7 -5.199 -1.890 5.751 50 HG13 VAL 7 3HG1 VAL 7 -6.715 -1.951 6.650 51 HG21 VAL 7 3HG2 VAL 7 -5.795 -5.497 5.702 52 HG22 VAL 7 1HG2 VAL 7 -6.052 -4.443 7.093 53 HG23 VAL 7 2HG2 VAL 7 -4.641 -4.210 6.062 54 H TYR 8 H TYR 8 -9.193 -1.754 5.945 55 HA TYR 8 HA TYR 8 -10.488 -1.383 3.304 56 HB2 TYR 8 1HB TYR 8 -11.064 -0.201 6.036 57 HB3 TYR 8 2HB TYR 8 -11.944 0.213 4.563 58 HD1 TYR 8 HD2 TYR 8 -11.238 -2.461 7.021 59 HD2 TYR 8 HD1 TYR 8 -13.487 -1.366 3.527 60 HE1 TYR 8 HE2 TYR 8 -12.669 -4.462 7.313 61 HE2 TYR 8 HE1 TYR 8 -14.918 -3.366 3.824 62 HH TYR 8 HH TYR 8 -15.560 -4.940 5.436 63 H VAL 9 H VAL 9 -9.648 0.096 1.951 64 HA VAL 9 HA VAL 9 -7.446 1.635 2.327 65 HB VAL 9 HB VAL 9 -8.447 1.300 0.158 66 HG11 VAL 9 1HG1 VAL 9 -10.828 1.430 0.982 67 HG12 VAL 9 2HG1 VAL 9 -10.517 2.288 -0.519 68 HG13 VAL 9 3HG1 VAL 9 -10.658 3.183 0.997 69 HG21 VAL 9 3HG2 VAL 9 -8.110 3.472 -0.781 70 HG22 VAL 9 1HG2 VAL 9 -7.077 3.416 0.645 71 HG23 VAL 9 2HG2 VAL 9 -8.615 4.277 0.698 72 H MET 10 H MET 10 -7.251 4.035 2.406 73 HA MET 10 HA MET 10 -8.914 5.118 4.617 74 HB2 MET 10 1HB MET 10 -6.138 5.880 3.682 75 HB3 MET 10 2HB MET 10 -7.001 6.622 5.030 76 HG2 MET 10 1HG MET 10 -6.360 3.660 4.858 77 HG3 MET 10 2HG MET 10 -5.378 4.832 5.737 78 HE1 MET 10 3HE MET 10 -7.155 2.783 8.517 79 HE2 MET 10 1HE MET 10 -5.639 3.597 8.103 80 HE3 MET 10 2HE MET 10 -6.305 2.368 7.031 81 H SER 11 H SER 11 -6.996 6.636 2.018 82 HA SER 11 HA SER 11 -9.348 8.003 0.960 83 HB2 SER 11 1HB SER 11 -8.763 9.406 2.894 84 HB3 SER 11 2HB SER 11 -7.113 9.553 2.295 85 HG SER 11 HG SER 11 -8.636 11.291 1.736 86 H VAL 12 H VAL 12 -8.568 9.693 -0.745 87 HA VAL 12 HA VAL 12 -6.290 8.579 -2.285 88 HB VAL 12 HB VAL 12 -8.685 10.005 -3.482 89 HG11 VAL 12 1HG1 VAL 12 -7.978 8.889 -5.519 90 HG12 VAL 12 2HG1 VAL 12 -6.764 7.962 -4.637 91 HG13 VAL 12 3HG1 VAL 12 -6.584 9.707 -4.815 92 HG21 VAL 12 3HG2 VAL 12 -9.631 7.781 -3.992 93 HG22 VAL 12 1HG2 VAL 12 -9.578 8.074 -2.257 94 HG23 VAL 12 2HG2 VAL 12 -8.374 7.027 -3.008 95 H LEU 13 H LEU 13 -4.691 10.040 -1.899 96 HA LEU 13 HA LEU 13 -5.291 12.890 -1.694 97 HB2 LEU 13 1HB LEU 13 -2.619 11.512 -1.435 98 HB3 LEU 13 2HB LEU 13 -3.078 13.093 -0.829 99 HG LEU 13 HG LEU 13 -4.095 10.402 0.132 100 HD11 LEU 13 1HD1 LEU 13 -3.088 11.183 2.280 101 HD12 LEU 13 2HD1 LEU 13 -2.479 12.609 1.440 102 HD13 LEU 13 3HD1 LEU 13 -1.895 11.006 0.992 103 HD21 LEU 13 3HD2 LEU 13 -5.281 11.894 1.896 104 HD22 LEU 13 1HD2 LEU 13 -6.007 11.827 0.292 105 HD23 LEU 13 2HD2 LEU 13 -5.033 13.221 0.761 106 HA PRO 14 HA PRO 14 -4.009 13.575 -5.925 107 HB2 PRO 14 1HB PRO 14 -3.521 16.252 -5.916 108 HB3 PRO 14 2HB PRO 14 -5.164 15.602 -5.726 109 HG2 PRO 14 1HG PRO 14 -3.248 16.516 -3.594 110 HG3 PRO 14 2HG PRO 14 -4.967 16.928 -3.796 111 HD2 PRO 14 1HD PRO 14 -4.166 14.977 -2.059 112 HD3 PRO 14 2HD PRO 14 -5.701 14.856 -2.960 113 H ASN 15 H ASN 15 -2.160 14.022 -7.227 114 HA ASN 15 HA ASN 15 0.064 13.941 -7.755 115 HB2 ASN 15 1HB ASN 15 -0.056 16.226 -6.688 116 HB3 ASN 15 2HB ASN 15 0.491 15.486 -5.184 117 HD21 ASN 15 2HD2 ASN 15 2.621 16.291 -5.049 118 HD22 ASN 15 1HD2 ASN 15 3.801 16.042 -6.243 119 H MET 16 H MET 16 -1.034 11.758 -6.113 120 HA MET 16 HA MET 16 1.468 10.843 -4.776 121 HB2 MET 16 1HB MET 16 -1.437 10.509 -4.008 122 HB3 MET 16 2HB MET 16 -0.221 9.400 -3.398 123 HG2 MET 16 1HG MET 16 0.988 11.831 -2.810 124 HG3 MET 16 2HG MET 16 -0.709 12.259 -2.660 125 HE1 MET 16 3HE MET 16 0.742 11.764 0.943 126 HE2 MET 16 1HE MET 16 -0.245 12.834 -0.065 127 HE3 MET 16 2HE MET 16 1.419 12.472 -0.519 128 HA PRO 17 HA PRO 17 1.577 7.495 -7.606 129 HB2 PRO 17 1HB PRO 17 2.586 5.433 -6.055 130 HB3 PRO 17 2HB PRO 17 3.570 6.777 -6.662 131 HG2 PRO 17 1HG PRO 17 2.316 6.428 -3.957 132 HG3 PRO 17 2HG PRO 17 3.944 7.012 -4.370 133 HD2 PRO 17 1HD PRO 17 1.971 8.740 -3.723 134 HD3 PRO 17 2HD PRO 17 3.164 9.147 -4.957 135 H ALA 18 H ALA 18 -0.405 7.254 -4.790 136 HA ALA 18 HA ALA 18 -1.649 4.723 -5.541 137 HB1 ALA 18 3HB ALA 18 -2.965 5.025 -3.545 138 HB2 ALA 18 1HB ALA 18 -2.493 6.722 -3.433 139 HB3 ALA 18 2HB ALA 18 -1.294 5.459 -3.161 140 H ALA 19 H ALA 19 -2.149 8.086 -6.026 141 HA ALA 19 HA ALA 19 -4.947 8.079 -6.590 142 HB1 ALA 19 3HB ALA 19 -3.763 10.167 -6.119 143 HB2 ALA 19 1HB ALA 19 -4.565 10.251 -7.688 144 HB3 ALA 19 2HB ALA 19 -2.824 9.982 -7.599 145 H GLY 20 H GLY 20 -6.061 7.476 -8.320 146 HA2 GLY 20 1HA GLY 20 -6.529 7.132 -10.596 147 HA3 GLY 20 2HA GLY 20 -4.813 7.248 -10.966 148 H ARG 21 H ARG 21 -4.365 5.339 -8.611 149 HA ARG 21 HA ARG 21 -4.859 2.828 -10.125 150 HB2 ARG 21 1HB ARG 21 -2.775 3.591 -8.056 151 HB3 ARG 21 2HB ARG 21 -2.991 1.949 -8.669 152 HG2 ARG 21 1HG ARG 21 -2.511 2.680 -10.940 153 HG3 ARG 21 2HG ARG 21 -2.444 4.364 -10.423 154 HD2 ARG 21 1HD ARG 21 -0.528 3.836 -8.966 155 HD3 ARG 21 2HD ARG 21 -0.585 2.156 -9.500 156 HE ARG 21 HE ARG 21 -0.355 3.470 -11.847 157 HH11 ARG 21 1HH2 ARG 21 1.306 3.769 -8.829 158 HH12 ARG 21 2HH2 ARG 21 2.810 4.228 -9.547 159 HH21 ARG 21 1HH1 ARG 21 1.618 4.072 -12.789 160 HH22 ARG 21 2HH1 ARG 21 2.988 4.395 -11.783 161 H LEU 22 H LEU 22 -4.918 4.254 -6.879 162 HA LEU 22 HA LEU 22 -6.731 2.097 -5.969 163 HB2 LEU 22 1HB LEU 22 -4.264 2.701 -4.945 164 HB3 LEU 22 2HB LEU 22 -5.244 3.786 -3.977 165 HG LEU 22 HG LEU 22 -5.025 1.692 -2.809 166 HD11 LEU 22 1HD1 LEU 22 -7.280 1.305 -2.287 167 HD12 LEU 22 2HD1 LEU 22 -7.805 1.531 -3.945 168 HD13 LEU 22 3HD1 LEU 22 -7.336 2.922 -2.984 169 HD21 LEU 22 3HD2 LEU 22 -4.843 0.434 -5.242 170 HD22 LEU 22 1HD2 LEU 22 -6.505 0.038 -4.812 171 HD23 LEU 22 2HD2 LEU 22 -5.185 -0.410 -3.740 172 H GLU 23 H GLU 23 -8.651 2.678 -5.012 173 HA GLU 23 HA GLU 23 -9.226 5.574 -4.706 174 HB2 GLU 23 1HB GLU 23 -10.809 3.462 -6.158 175 HB3 GLU 23 2HB GLU 23 -11.568 4.941 -5.578 176 HG2 GLU 23 1HG GLU 23 -9.139 4.883 -7.399 177 HG3 GLU 23 2HG GLU 23 -10.794 5.028 -7.982 178 H ALA 24 H ALA 24 -10.991 6.034 -3.324 179 HA ALA 24 HA ALA 24 -10.912 4.598 -0.891 180 HB1 ALA 24 3HB ALA 24 -12.672 6.139 -0.156 181 HB2 ALA 24 1HB ALA 24 -12.911 6.666 -1.822 182 HB3 ALA 24 2HB ALA 24 -11.389 7.006 -0.998 183 H GLY 25 H GLY 25 -12.165 2.958 -0.140 184 HA2 GLY 25 1HA GLY 25 -14.322 1.861 0.042 185 HA3 GLY 25 2HA GLY 25 -14.586 2.170 -1.670 186 H ASP 26 H ASP 26 -11.642 1.521 -2.123 187 HA ASP 26 HA ASP 26 -12.022 -1.305 -2.679 188 HB2 ASP 26 1HB ASP 26 -9.555 0.395 -2.987 189 HB3 ASP 26 2HB ASP 26 -9.861 -1.135 -3.765 190 H ARG 27 H ARG 27 -10.931 -3.051 -1.743 191 HA ARG 27 HA ARG 27 -9.520 -2.492 0.821 192 HB2 ARG 27 1HB ARG 27 -10.148 -4.804 1.449 193 HB3 ARG 27 2HB ARG 27 -11.548 -3.776 1.168 194 HG2 ARG 27 1HG ARG 27 -11.870 -4.732 -1.047 195 HG3 ARG 27 2HG ARG 27 -10.388 -5.677 -0.898 196 HD2 ARG 27 1HD ARG 27 -11.334 -6.905 1.002 197 HD3 ARG 27 2HD ARG 27 -12.813 -5.956 0.906 198 HE ARG 27 HE ARG 27 -12.078 -8.178 -0.774 199 HH11 ARG 27 1HH2 ARG 27 -13.831 -5.199 -0.594 200 HH12 ARG 27 2HH2 ARG 27 -14.944 -5.622 -1.850 201 HH21 ARG 27 1HH1 ARG 27 -13.540 -8.732 -2.424 202 HH22 ARG 27 2HH1 ARG 27 -14.779 -7.614 -2.881 203 H ILE 28 H ILE 28 -7.832 -3.983 1.400 204 HA ILE 28 HA ILE 28 -6.152 -4.690 -0.940 205 HB ILE 28 HB ILE 28 -5.272 -4.663 1.960 206 HG12 ILE 28 1HG1 ILE 28 -6.165 -2.449 1.526 207 HG13 ILE 28 2HG1 ILE 28 -4.408 -2.355 1.463 208 HG21 ILE 28 1HG2 ILE 28 -3.790 -5.797 0.375 209 HG22 ILE 28 2HG2 ILE 28 -3.056 -4.282 0.902 210 HG23 ILE 28 3HG2 ILE 28 -3.816 -4.389 -0.688 211 HD11 ILE 28 3HD1 ILE 28 -6.366 -2.324 -0.840 212 HD12 ILE 28 1HD1 ILE 28 -4.656 -2.670 -1.093 213 HD13 ILE 28 2HD1 ILE 28 -5.151 -1.120 -0.427 214 H ALA 29 H ALA 29 -6.268 -6.708 -1.620 215 HA ALA 29 HA ALA 29 -7.081 -8.887 0.186 216 HB1 ALA 29 3HB ALA 29 -6.599 -8.807 -2.803 217 HB2 ALA 29 1HB ALA 29 -8.163 -8.765 -1.987 218 HB3 ALA 29 2HB ALA 29 -7.166 -10.217 -1.907 219 H ALA 30 H ALA 30 -4.240 -7.518 -1.066 220 HA ALA 30 HA ALA 30 -2.487 -9.205 0.334 221 HB1 ALA 30 3HB ALA 30 -3.019 -10.038 -2.511 222 HB2 ALA 30 1HB ALA 30 -2.895 -11.054 -1.077 223 HB3 ALA 30 2HB ALA 30 -1.444 -10.348 -1.779 224 H ILE 31 H ILE 31 -0.185 -8.970 -0.369 225 HA ILE 31 HA ILE 31 0.348 -6.564 -1.975 226 HB ILE 31 HB ILE 31 1.403 -6.977 0.831 227 HG12 ILE 31 1HG1 ILE 31 -0.204 -4.707 -0.372 228 HG13 ILE 31 2HG1 ILE 31 -0.919 -6.009 0.561 229 HG21 ILE 31 1HG2 ILE 31 2.537 -4.727 0.345 230 HG22 ILE 31 2HG2 ILE 31 2.146 -4.993 -1.348 231 HG23 ILE 31 3HG2 ILE 31 3.221 -6.105 -0.509 232 HD11 ILE 31 3HD1 ILE 31 -0.517 -4.091 2.008 233 HD12 ILE 31 1HD1 ILE 31 1.185 -4.078 1.549 234 HD13 ILE 31 2HD1 ILE 31 0.535 -5.435 2.464 235 H ASP 32 H ASP 32 1.862 -6.906 -3.380 236 HA ASP 32 HA ASP 32 3.445 -8.028 -4.614 237 HB2 ASP 32 1HB ASP 32 5.567 -8.087 -3.590 238 HB3 ASP 32 2HB ASP 32 4.706 -6.813 -2.739 239 H GLY 33 H GLY 33 1.307 -9.658 -3.282 240 HA2 GLY 33 1HA GLY 33 0.825 -11.927 -3.845 241 HA3 GLY 33 2HA GLY 33 2.537 -12.308 -3.728 242 H GLN 34 H GLN 34 2.091 -10.447 -1.138 243 HA GLN 34 HA GLN 34 1.908 -12.693 0.693 244 HB2 GLN 34 1HB GLN 34 2.335 -9.751 1.245 245 HB3 GLN 34 2HB GLN 34 2.527 -11.057 2.413 246 HG2 GLN 34 1HG GLN 34 4.092 -10.823 -0.170 247 HG3 GLN 34 2HG GLN 34 4.695 -10.322 1.410 248 HE21 GLN 34 2HE2 GLN 34 4.311 -13.015 -0.711 249 HE22 GLN 34 1HE2 GLN 34 4.816 -14.220 0.372 250 HA PRO 35 HA PRO 35 -2.457 -11.652 1.409 251 HB2 PRO 35 1HB PRO 35 -3.134 -13.633 3.139 252 HB3 PRO 35 2HB PRO 35 -2.816 -13.965 1.423 253 HG2 PRO 35 1HG PRO 35 -0.996 -14.337 3.783 254 HG3 PRO 35 2HG PRO 35 -1.287 -15.429 2.413 255 HD2 PRO 35 1HD PRO 35 0.894 -13.735 2.550 256 HD3 PRO 35 2HD PRO 35 0.176 -14.278 1.009 257 H ILE 36 H ILE 36 -3.164 -10.046 2.685 258 HA ILE 36 HA ILE 36 -1.900 -9.576 5.313 259 HB ILE 36 HB ILE 36 -3.684 -7.734 3.708 260 HG12 ILE 36 1HG1 ILE 36 -1.732 -8.218 2.357 261 HG13 ILE 36 2HG1 ILE 36 -1.514 -6.625 3.062 262 HG21 ILE 36 1HG2 ILE 36 -1.675 -7.139 5.904 263 HG22 ILE 36 2HG2 ILE 36 -3.411 -7.263 6.177 264 HG23 ILE 36 3HG2 ILE 36 -2.774 -5.995 5.144 265 HD11 ILE 36 3HD1 ILE 36 0.578 -7.642 3.405 266 HD12 ILE 36 1HD1 ILE 36 -0.140 -9.208 3.758 267 HD13 ILE 36 2HD1 ILE 36 -0.219 -7.912 4.954 268 H ASN 37 H ASN 37 -2.867 -10.142 7.014 269 HA ASN 37 HA ASN 37 -5.843 -10.274 7.181 270 HB2 ASN 37 1HB ASN 37 -4.660 -12.468 7.399 271 HB3 ASN 37 2HB ASN 37 -3.849 -11.844 8.833 272 HD21 ASN 37 2HD2 ASN 37 -4.917 -13.285 10.330 273 HD22 ASN 37 1HD2 ASN 37 -6.579 -13.173 10.657 274 H THR 38 H THR 38 -2.968 -8.852 8.501 275 HA THR 38 HA THR 38 -4.593 -7.496 10.586 276 HB THR 38 HB THR 38 -2.690 -7.596 12.111 277 HG1 THR 38 HG1 THR 38 -1.521 -9.107 10.021 278 HG21 THR 38 3HG2 THR 38 -4.384 -9.436 12.096 279 HG22 THR 38 1HG2 THR 38 -2.799 -9.928 12.694 280 HG23 THR 38 2HG2 THR 38 -3.298 -10.364 11.060 281 H SER 39 H SER 39 -3.838 -5.436 11.204 282 HA SER 39 HA SER 39 -2.796 -3.872 9.037 283 HB2 SER 39 1HB SER 39 -4.456 -3.021 10.708 284 HB3 SER 39 2HB SER 39 -3.188 -3.075 11.932 285 HG SER 39 HG SER 39 -2.230 -1.400 11.024 286 H GLU 40 H GLU 40 -1.528 -5.301 11.973 287 HA GLU 40 HA GLU 40 0.923 -3.876 12.082 288 HB2 GLU 40 1HB GLU 40 0.151 -6.622 13.111 289 HB3 GLU 40 2HB GLU 40 1.685 -5.835 13.476 290 HG2 GLU 40 1HG GLU 40 0.212 -5.352 15.308 291 HG3 GLU 40 2HG GLU 40 0.357 -3.867 14.375 292 H GLN 41 H GLN 41 -0.113 -6.713 10.269 293 HA GLN 41 HA GLN 41 2.412 -7.665 9.533 294 HB2 GLN 41 1HB GLN 41 0.242 -8.851 9.110 295 HB3 GLN 41 2HB GLN 41 -0.103 -7.688 7.838 296 HG2 GLN 41 1HG GLN 41 0.839 -9.691 6.836 297 HG3 GLN 41 2HG GLN 41 2.010 -8.388 6.688 298 HE21 GLN 41 2HE2 GLN 41 3.944 -9.638 6.748 299 HE22 GLN 41 1HE2 GLN 41 4.393 -10.593 8.077 300 H ILE 42 H ILE 42 0.535 -4.908 8.381 301 HA ILE 42 HA ILE 42 2.050 -4.460 6.011 302 HB ILE 42 HB ILE 42 0.328 -2.594 7.657 303 HG12 ILE 42 1HG1 ILE 42 -0.905 -4.586 6.883 304 HG13 ILE 42 2HG1 ILE 42 -1.443 -3.149 6.021 305 HG21 ILE 42 1HG2 ILE 42 1.458 -2.375 4.859 306 HG22 ILE 42 2HG2 ILE 42 1.702 -1.265 6.210 307 HG23 ILE 42 3HG2 ILE 42 0.120 -1.380 5.435 308 HD11 ILE 42 3HD1 ILE 42 0.056 -5.521 5.017 309 HD12 ILE 42 1HD1 ILE 42 0.473 -3.974 4.287 310 HD13 ILE 42 2HD1 ILE 42 -1.177 -4.553 4.222 311 H VAL 43 H VAL 43 2.432 -3.579 9.390 312 HA VAL 43 HA VAL 43 4.205 -1.392 9.025 313 HB VAL 43 HB VAL 43 3.886 -3.302 11.359 314 HG11 VAL 43 1HG1 VAL 43 5.185 -0.576 11.106 315 HG12 VAL 43 2HG1 VAL 43 5.952 -2.086 11.603 316 HG13 VAL 43 3HG1 VAL 43 4.770 -1.311 12.655 317 HG21 VAL 43 3HG2 VAL 43 1.798 -2.098 10.638 318 HG22 VAL 43 1HG2 VAL 43 2.648 -0.575 10.893 319 HG23 VAL 43 2HG2 VAL 43 2.341 -1.652 12.255 320 H SER 44 H SER 44 4.674 -4.898 9.433 321 HA SER 44 HA SER 44 7.521 -4.749 9.618 322 HB2 SER 44 1HB SER 44 7.425 -7.171 9.146 323 HB3 SER 44 2HB SER 44 6.290 -6.714 10.413 324 HG SER 44 HG SER 44 5.213 -8.007 8.953 325 H TYR 45 H TYR 45 5.208 -5.263 7.038 326 HA TYR 45 HA TYR 45 6.952 -5.901 4.939 327 HB2 TYR 45 1HB TYR 45 4.511 -6.054 4.764 328 HB3 TYR 45 2HB TYR 45 4.386 -4.299 4.816 329 HD1 TYR 45 HD1 TYR 45 6.115 -7.041 2.942 330 HD2 TYR 45 HD2 TYR 45 4.386 -3.109 2.764 331 HE1 TYR 45 HE1 TYR 45 6.457 -7.000 0.486 332 HE2 TYR 45 HE2 TYR 45 4.720 -3.073 0.321 333 HH TYR 45 HH TYR 45 6.479 -5.650 -1.338 334 H VAL 46 H VAL 46 5.629 -2.660 5.694 335 HA VAL 46 HA VAL 46 7.223 -1.234 3.892 336 HB VAL 46 HB VAL 46 6.778 0.726 5.387 337 HG11 VAL 46 1HG1 VAL 46 4.414 0.806 5.015 338 HG12 VAL 46 2HG1 VAL 46 4.337 -0.954 4.892 339 HG13 VAL 46 3HG1 VAL 46 5.170 -0.016 3.654 340 HG21 VAL 46 3HG2 VAL 46 5.596 -1.406 7.115 341 HG22 VAL 46 1HG2 VAL 46 5.194 0.282 7.312 342 HG23 VAL 46 2HG2 VAL 46 6.847 -0.264 7.553 343 H ARG 47 H ARG 47 7.866 -2.278 7.205 344 HA ARG 47 HA ARG 47 10.152 -0.746 7.695 345 HB2 ARG 47 1HB ARG 47 8.994 -2.082 9.427 346 HB3 ARG 47 2HB ARG 47 9.595 -3.559 8.674 347 HG2 ARG 47 1HG ARG 47 11.901 -2.886 9.086 348 HG3 ARG 47 2HG ARG 47 11.365 -1.327 9.710 349 HD2 ARG 47 1HD ARG 47 10.193 -2.471 11.556 350 HD3 ARG 47 2HD ARG 47 10.722 -4.029 10.925 351 HE ARG 47 HE ARG 47 13.004 -2.443 11.263 352 HH11 ARG 47 1HH2 ARG 47 10.499 -3.896 13.169 353 HH12 ARG 47 2HH2 ARG 47 11.491 -4.058 14.578 354 HH21 ARG 47 1HH1 ARG 47 14.292 -2.657 13.109 355 HH22 ARG 47 2HH1 ARG 47 13.628 -3.359 14.546 356 H GLU 48 H GLU 48 9.807 -3.882 6.056 357 HA GLU 48 HA GLU 48 12.552 -4.433 5.722 358 HB2 GLU 48 1HB GLU 48 10.191 -5.173 3.968 359 HB3 GLU 48 2HB GLU 48 11.811 -5.843 3.782 360 HG2 GLU 48 1HG GLU 48 10.180 -6.038 6.323 361 HG3 GLU 48 2HG GLU 48 10.263 -7.305 5.105 362 H LYS 49 H LYS 49 10.263 -2.626 3.697 363 HA LYS 49 HA LYS 49 12.365 -1.966 1.762 364 HB2 LYS 49 1HB LYS 49 9.526 -0.918 1.763 365 HB3 LYS 49 2HB LYS 49 10.626 -1.073 0.420 366 HG2 LYS 49 1HG LYS 49 9.530 -3.451 1.952 367 HG3 LYS 49 2HG LYS 49 8.819 -2.831 0.474 368 HD2 LYS 49 1HD LYS 49 10.962 -3.226 -0.715 369 HD3 LYS 49 2HD LYS 49 11.639 -3.915 0.760 370 HE2 LYS 49 1HE LYS 49 9.139 -4.975 -0.577 371 HE3 LYS 49 2HE LYS 49 10.753 -5.628 -0.862 372 HZ1 LYS 49 3HZ LYS 49 10.133 -5.340 1.923 373 HZ2 LYS 49 1HZ LYS 49 10.739 -6.681 1.083 374 HZ3 LYS 49 2HZ LYS 49 9.064 -6.390 1.122 375 H GLN 50 H GLN 50 12.925 0.193 1.226 376 HA GLN 50 HA GLN 50 12.668 2.116 3.467 377 HB2 GLN 50 1HB GLN 50 14.828 3.065 2.610 378 HB3 GLN 50 2HB GLN 50 14.961 1.426 3.241 379 HG2 GLN 50 1HG GLN 50 14.530 1.984 0.288 380 HG3 GLN 50 2HG GLN 50 16.136 1.879 1.000 381 HE21 GLN 50 2HE2 GLN 50 16.641 -0.251 2.156 382 HE22 GLN 50 1HE2 GLN 50 15.915 -1.666 1.563 383 H ALA 51 H ALA 51 13.395 4.431 2.472 384 HA ALA 51 HA ALA 51 11.166 5.255 0.932 385 HB1 ALA 51 3HB ALA 51 12.181 6.806 2.467 386 HB2 ALA 51 1HB ALA 51 12.438 7.443 0.842 387 HB3 ALA 51 2HB ALA 51 13.753 6.629 1.691 388 H GLY 52 H GLY 52 10.958 5.674 -1.233 389 HA2 GLY 52 1HA GLY 52 11.642 6.013 -3.446 390 HA3 GLY 52 2HA GLY 52 13.295 5.609 -2.996 391 H ASP 53 H ASP 53 11.347 3.314 -1.602 392 HA ASP 53 HA ASP 53 12.187 1.292 -3.479 393 HB2 ASP 53 1HB ASP 53 11.990 0.918 -1.010 394 HB3 ASP 53 2HB ASP 53 10.245 0.996 -1.172 395 H ARG 54 H ARG 54 10.355 -0.440 -3.963 396 HA ARG 54 HA ARG 54 7.919 0.855 -5.022 397 HB2 ARG 54 1HB ARG 54 9.611 0.781 -6.847 398 HB3 ARG 54 2HB ARG 54 9.751 -0.959 -6.619 399 HG2 ARG 54 1HG ARG 54 7.400 -1.263 -7.194 400 HG3 ARG 54 2HG ARG 54 7.180 0.480 -7.312 401 HD2 ARG 54 1HD ARG 54 8.751 0.578 -9.189 402 HD3 ARG 54 2HD ARG 54 9.071 -1.148 -9.040 403 HE ARG 54 HE ARG 54 6.296 -0.778 -9.392 404 HH11 ARG 54 1HH2 ARG 54 9.302 -0.400 -11.078 405 HH12 ARG 54 2HH2 ARG 54 8.613 -0.672 -12.641 406 HH21 ARG 54 1HH1 ARG 54 5.395 -1.132 -11.437 407 HH22 ARG 54 2HH1 ARG 54 6.399 -1.086 -12.844 408 H VAL 55 H VAL 55 6.256 -0.286 -4.385 409 HA VAL 55 HA VAL 55 6.519 -3.221 -3.980 410 HB VAL 55 HB VAL 55 4.955 -2.940 -2.028 411 HG11 VAL 55 1HG1 VAL 55 7.661 -1.572 -1.897 412 HG12 VAL 55 2HG1 VAL 55 7.359 -3.297 -1.704 413 HG13 VAL 55 3HG1 VAL 55 6.755 -2.157 -0.502 414 HG21 VAL 55 3HG2 VAL 55 5.742 -0.026 -2.362 415 HG22 VAL 55 1HG2 VAL 55 4.843 -0.704 -1.005 416 HG23 VAL 55 2HG2 VAL 55 4.124 -0.687 -2.613 417 H ARG 56 H ARG 56 5.025 -4.420 -4.756 418 HA ARG 56 HA ARG 56 2.840 -3.261 -6.333 419 HB2 ARG 56 1HB ARG 56 4.132 -5.983 -6.120 420 HB3 ARG 56 2HB ARG 56 2.526 -5.847 -6.830 421 HG2 ARG 56 1HG ARG 56 4.205 -5.751 -8.599 422 HG3 ARG 56 2HG ARG 56 3.414 -4.185 -8.464 423 HD2 ARG 56 1HD ARG 56 5.289 -3.297 -7.186 424 HD3 ARG 56 2HD ARG 56 6.068 -4.879 -7.158 425 HE ARG 56 HE ARG 56 6.036 -2.984 -9.355 426 HH11 ARG 56 1HH2 ARG 56 6.351 -6.294 -8.402 427 HH12 ARG 56 2HH2 ARG 56 7.276 -6.749 -9.792 428 HH21 ARG 56 1HH1 ARG 56 7.246 -3.573 -11.178 429 HH22 ARG 56 2HH1 ARG 56 7.783 -5.206 -11.364 430 H VAL 57 H VAL 57 0.882 -3.020 -5.514 431 HA VAL 57 HA VAL 57 0.060 -4.630 -3.141 432 HB VAL 57 HB VAL 57 -0.647 -1.816 -3.948 433 HG11 VAL 57 1HG1 VAL 57 -1.775 -3.610 -1.781 434 HG12 VAL 57 2HG1 VAL 57 -2.659 -2.706 -3.007 435 HG13 VAL 57 3HG1 VAL 57 -1.875 -1.851 -1.682 436 HG21 VAL 57 3HG2 VAL 57 0.419 -1.288 -1.756 437 HG22 VAL 57 1HG2 VAL 57 1.545 -2.024 -2.895 438 HG23 VAL 57 2HG2 VAL 57 0.856 -2.984 -1.590 439 H THR 58 H THR 58 -1.700 -5.903 -3.307 440 HA THR 58 HA THR 58 -3.287 -5.810 -5.785 441 HB THR 58 HB THR 58 -3.173 -7.867 -3.564 442 HG1 THR 58 HG1 THR 58 -2.129 -9.008 -5.421 443 HG21 THR 58 3HG2 THR 58 -5.288 -7.998 -4.710 444 HG22 THR 58 1HG2 THR 58 -4.266 -9.296 -5.325 445 HG23 THR 58 2HG2 THR 58 -4.504 -7.834 -6.282 446 H PHE 59 H PHE 59 -5.409 -5.281 -5.814 447 HA PHE 59 HA PHE 59 -6.922 -5.153 -3.296 448 HB2 PHE 59 1HB PHE 59 -7.542 -2.868 -3.481 449 HB3 PHE 59 2HB PHE 59 -5.802 -2.881 -3.696 450 HD1 PHE 59 HD1 PHE 59 -9.056 -2.600 -5.441 451 HD2 PHE 59 HD2 PHE 59 -4.792 -2.268 -5.830 452 HE1 PHE 59 HE1 PHE 59 -9.346 -1.489 -7.621 453 HE2 PHE 59 HE2 PHE 59 -5.093 -1.168 -8.032 454 HZ PHE 59 HZ PHE 59 -7.365 -0.768 -8.922 455 H ILE 60 H ILE 60 -9.265 -5.219 -3.651 456 HA ILE 60 HA ILE 60 -10.017 -5.995 -6.408 457 HB ILE 60 HB ILE 60 -10.723 -7.029 -3.673 458 HG12 ILE 60 1HG1 ILE 60 -10.621 -9.194 -4.855 459 HG13 ILE 60 2HG1 ILE 60 -10.416 -8.354 -6.392 460 HG21 ILE 60 1HG2 ILE 60 -12.622 -6.927 -6.022 461 HG22 ILE 60 2HG2 ILE 60 -12.937 -6.453 -4.352 462 HG23 ILE 60 3HG2 ILE 60 -12.772 -8.160 -4.767 463 HD11 ILE 60 3HD1 ILE 60 -8.242 -7.695 -5.890 464 HD12 ILE 60 1HD1 ILE 60 -8.307 -9.250 -5.075 465 HD13 ILE 60 2HD1 ILE 60 -8.492 -7.765 -4.147 466 H ARG 61 H ARG 61 -11.672 -5.009 -7.399 467 HA ARG 61 HA ARG 61 -13.385 -3.161 -5.880 468 HB2 ARG 61 1HB ARG 61 -11.761 -1.674 -6.784 469 HB3 ARG 61 2HB ARG 61 -11.697 -2.538 -8.310 470 HG2 ARG 61 1HG ARG 61 -13.785 -1.685 -9.037 471 HG3 ARG 61 2HG ARG 61 -14.295 -1.264 -7.404 472 HD2 ARG 61 1HD ARG 61 -11.896 0.115 -8.615 473 HD3 ARG 61 2HD ARG 61 -13.527 0.655 -9.020 474 HE ARG 61 HE ARG 61 -13.064 0.334 -6.176 475 HH11 ARG 61 1HH2 ARG 61 -12.807 2.431 -8.918 476 HH12 ARG 61 2HH2 ARG 61 -12.900 3.884 -7.983 477 HH21 ARG 61 1HH1 ARG 61 -13.194 2.237 -4.953 478 HH22 ARG 61 2HH1 ARG 61 -13.119 3.774 -5.742 479 H ASP 62 H ASP 62 -15.400 -3.711 -6.239 480 HA ASP 62 HA ASP 62 -17.280 -4.694 -7.187 481 HB2 ASP 62 1HB ASP 62 -15.965 -3.416 -9.596 482 HB3 ASP 62 2HB ASP 62 -17.590 -4.098 -9.624 483 H ARG 63 H ARG 63 -15.110 -6.519 -6.811 484 HA ARG 63 HA ARG 63 -14.654 -8.676 -7.298 485 HB2 ARG 63 1HB ARG 63 -17.162 -8.601 -8.098 486 HB3 ARG 63 2HB ARG 63 -16.470 -8.660 -9.715 487 HG2 ARG 63 1HG ARG 63 -15.257 -10.740 -9.118 488 HG3 ARG 63 2HG ARG 63 -15.950 -10.677 -7.500 489 HD2 ARG 63 1HD ARG 63 -18.234 -10.757 -8.551 490 HD3 ARG 63 2HD ARG 63 -17.450 -11.011 -10.110 491 HE ARG 63 HE ARG 63 -16.427 -12.923 -8.334 492 HH11 ARG 63 1HH2 ARG 63 -19.425 -12.026 -9.816 493 HH12 ARG 63 2HH2 ARG 63 -20.058 -13.636 -9.823 494 HH21 ARG 63 1HH1 ARG 63 -17.259 -15.036 -8.342 495 HH22 ARG 63 2HH1 ARG 63 -18.835 -15.337 -8.990 496 H LYS 64 H LYS 64 -13.573 -6.161 -8.873 497 HA LYS 64 HA LYS 64 -12.217 -7.664 -11.050 498 HB2 LYS 64 1HB LYS 64 -12.493 -4.670 -10.699 499 HB3 LYS 64 2HB LYS 64 -11.818 -5.519 -12.079 500 HG2 LYS 64 1HG LYS 64 -13.927 -6.385 -12.754 501 HG3 LYS 64 2HG LYS 64 -14.676 -6.021 -11.202 502 HD2 LYS 64 1HD LYS 64 -15.300 -4.440 -13.082 503 HD3 LYS 64 2HD LYS 64 -14.658 -3.661 -11.638 504 HE2 LYS 64 1HE LYS 64 -12.537 -3.283 -12.657 505 HE3 LYS 64 2HE LYS 64 -12.884 -4.394 -13.982 506 HZ1 LYS 64 3HZ LYS 64 -13.564 -2.610 -15.097 507 HZ2 LYS 64 1HZ LYS 64 -13.549 -1.630 -13.715 508 HZ3 LYS 64 2HZ LYS 64 -14.917 -2.571 -14.071 509 H GLN 65 H GLN 65 -10.462 -8.518 -10.035 510 HA GLN 65 HA GLN 65 -8.921 -7.144 -8.086 511 HB2 GLN 65 1HB GLN 65 -7.364 -9.041 -8.315 512 HB3 GLN 65 2HB GLN 65 -9.035 -9.567 -8.112 513 HG2 GLN 65 1HG GLN 65 -9.193 -9.743 -10.632 514 HG3 GLN 65 2HG GLN 65 -7.458 -9.448 -10.698 515 HE21 GLN 65 2HE2 GLN 65 -7.433 -11.699 -11.693 516 HE22 GLN 65 1HE2 GLN 65 -7.398 -13.029 -10.639 517 H HIS 66 H HIS 66 -7.351 -5.728 -8.304 518 HA HIS 66 HA HIS 66 -5.719 -5.626 -10.756 519 HB2 HIS 66 1HB HIS 66 -7.225 -3.263 -9.640 520 HB3 HIS 66 2HB HIS 66 -5.996 -3.168 -10.897 521 HD1 HIS 66 HD1 HIS 66 -6.575 -4.728 -13.095 522 HD2 HIS 66 HD2 HIS 66 -9.728 -3.707 -10.583 523 HE1 HIS 66 HE1 HIS 66 -8.689 -5.072 -14.445 524 HE2 HIS 66 HE2 HIS 66 -10.631 -4.442 -12.933 525 H GLU 67 H GLU 67 -3.699 -4.960 -10.441 526 HA GLU 67 HA GLU 67 -2.721 -4.665 -7.723 527 HB2 GLU 67 1HB GLU 67 -1.319 -4.992 -10.379 528 HB3 GLU 67 2HB GLU 67 -0.487 -4.850 -8.830 529 HG2 GLU 67 1HG GLU 67 -1.632 -6.853 -8.003 530 HG3 GLU 67 2HG GLU 67 -2.524 -6.990 -9.517 531 H ALA 68 H ALA 68 -1.576 -2.956 -6.983 532 HA ALA 68 HA ALA 68 -1.601 -0.449 -8.575 533 HB1 ALA 68 3HB ALA 68 -3.268 -0.608 -6.667 534 HB2 ALA 68 1HB ALA 68 -2.184 0.777 -6.620 535 HB3 ALA 68 2HB ALA 68 -1.898 -0.612 -5.570 536 H GLU 69 H GLU 69 0.227 0.540 -8.777 537 HA GLU 69 HA GLU 69 2.648 -0.484 -7.443 538 HB2 GLU 69 1HB GLU 69 2.653 -0.179 -9.896 539 HB3 GLU 69 2HB GLU 69 2.373 1.547 -9.676 540 HG2 GLU 69 1HG GLU 69 4.495 1.782 -8.487 541 HG3 GLU 69 2HG GLU 69 4.756 0.041 -8.555 542 H LEU 70 H LEU 70 2.917 0.348 -5.494 543 HA LEU 70 HA LEU 70 2.660 3.289 -5.070 544 HB2 LEU 70 1HB LEU 70 2.213 0.935 -3.261 545 HB3 LEU 70 2HB LEU 70 2.673 2.475 -2.553 546 HG LEU 70 HG LEU 70 0.737 3.568 -3.596 547 HD11 LEU 70 1HD1 LEU 70 -1.036 1.882 -4.596 548 HD12 LEU 70 2HD1 LEU 70 0.376 0.873 -4.904 549 HD13 LEU 70 3HD1 LEU 70 0.270 2.485 -5.611 550 HD21 LEU 70 3HD2 LEU 70 -0.100 1.008 -2.202 551 HD22 LEU 70 1HD2 LEU 70 -0.997 2.524 -2.250 552 HD23 LEU 70 2HD2 LEU 70 0.528 2.431 -1.369 553 H VAL 71 H VAL 71 4.286 4.405 -4.085 554 HA VAL 71 HA VAL 71 6.925 3.070 -3.881 555 HB VAL 71 HB VAL 71 6.122 5.858 -4.762 556 HG11 VAL 71 1HG1 VAL 71 8.838 4.807 -3.913 557 HG12 VAL 71 2HG1 VAL 71 8.036 6.288 -3.403 558 HG13 VAL 71 3HG1 VAL 71 8.687 6.160 -5.036 559 HG21 VAL 71 3HG2 VAL 71 7.711 3.641 -6.083 560 HG22 VAL 71 1HG2 VAL 71 7.393 5.224 -6.788 561 HG23 VAL 71 2HG2 VAL 71 6.059 4.111 -6.484 562 H LEU 72 H LEU 72 7.876 3.140 -1.974 563 HA LEU 72 HA LEU 72 6.616 4.146 0.351 564 HB2 LEU 72 1HB LEU 72 9.345 3.052 -0.316 565 HB3 LEU 72 2HB LEU 72 9.011 3.647 1.296 566 HG LEU 72 HG LEU 72 8.680 1.193 1.039 567 HD11 LEU 72 1HD1 LEU 72 6.905 1.125 2.520 568 HD12 LEU 72 2HD1 LEU 72 5.923 2.264 1.608 569 HD13 LEU 72 3HD1 LEU 72 7.245 2.847 2.615 570 HD21 LEU 72 3HD2 LEU 72 6.231 1.897 -0.596 571 HD22 LEU 72 1HD2 LEU 72 6.895 0.297 -0.275 572 HD23 LEU 72 2HD2 LEU 72 7.756 1.406 -1.340 573 H LYS 73 H LYS 73 6.749 6.117 1.361 574 HA LYS 73 HA LYS 73 8.941 7.936 0.635 575 HB2 LYS 73 1HB LYS 73 5.979 8.441 0.431 576 HB3 LYS 73 2HB LYS 73 7.087 9.789 0.677 577 HG2 LYS 73 1HG LYS 73 7.613 7.810 -1.563 578 HG3 LYS 73 2HG LYS 73 6.418 9.083 -1.788 579 HD2 LYS 73 1HD LYS 73 8.096 10.800 -1.319 580 HD3 LYS 73 2HD LYS 73 9.307 9.570 -0.981 581 HE2 LYS 73 1HE LYS 73 9.472 10.509 -3.297 582 HE3 LYS 73 2HE LYS 73 9.220 8.763 -3.264 583 HZ1 LYS 73 3HZ LYS 73 6.991 10.700 -3.501 584 HZ2 LYS 73 1HZ LYS 73 6.951 9.027 -3.778 585 HZ3 LYS 73 2HZ LYS 73 7.787 10.045 -4.852 586 HA PRO 74 HA PRO 74 8.866 8.419 5.111 587 HB2 PRO 74 1HB PRO 74 10.526 10.548 5.423 588 HB3 PRO 74 2HB PRO 74 11.132 8.980 4.839 589 HG2 PRO 74 1HG PRO 74 10.330 11.396 3.232 590 HG3 PRO 74 2HG PRO 74 11.823 10.433 3.119 591 HD2 PRO 74 1HD PRO 74 9.750 10.003 1.419 592 HD3 PRO 74 2HD PRO 74 10.744 8.655 2.017 593 H PHE 75 H PHE 75 8.180 9.929 6.797 594 HA PHE 75 HA PHE 75 6.328 12.045 5.811 595 HB2 PHE 75 1HB PHE 75 6.017 10.221 8.202 596 HB3 PHE 75 2HB PHE 75 4.906 11.506 7.739 597 HD1 PHE 75 HD1 PHE 75 3.657 11.383 5.584 598 HD2 PHE 75 HD2 PHE 75 6.034 8.099 7.009 599 HE1 PHE 75 HE1 PHE 75 2.525 9.867 3.982 600 HE2 PHE 75 HE2 PHE 75 4.901 6.586 5.405 601 HZ PHE 75 HZ PHE 75 3.148 7.470 3.890 602 HA PRO 76 HA PRO 76 8.696 14.789 8.402 603 HB2 PRO 76 1HB PRO 76 6.838 16.759 8.952 604 HB3 PRO 76 2HB PRO 76 7.646 16.594 7.381 605 HG2 PRO 76 1HG PRO 76 4.923 15.648 8.210 606 HG3 PRO 76 2HG PRO 76 5.419 16.444 6.702 607 HD2 PRO 76 1HD PRO 76 5.047 13.746 6.843 608 HD3 PRO 76 2HD PRO 76 6.289 14.461 5.788 609 H HIS 77 H HIS 77 5.618 13.537 9.533 610 HA HIS 77 HA HIS 77 5.863 14.332 12.257 611 HB2 HIS 77 1HB HIS 77 4.320 12.027 11.037 612 HB3 HIS 77 2HB HIS 77 4.094 12.664 12.666 613 HD1 HIS 77 HD1 HIS 77 3.252 13.296 9.114 614 HD2 HIS 77 HD2 HIS 77 3.006 15.365 12.724 615 HE1 HIS 77 HE1 HIS 77 1.727 15.275 8.701 616 HE2 HIS 77 HE2 HIS 77 1.567 16.547 10.894 617 H HIS 78 H HIS 78 6.960 11.603 10.375 618 HA HIS 78 HA HIS 78 8.745 10.749 12.553 619 HB2 HIS 78 1HB HIS 78 6.764 8.897 11.199 620 HB3 HIS 78 2HB HIS 78 8.059 8.390 12.283 621 HD1 HIS 78 HD1 HIS 78 7.864 9.136 14.806 622 HD2 HIS 78 HD2 HIS 78 4.509 9.992 12.484 623 HE1 HIS 78 HE1 HIS 78 6.005 9.719 16.424 624 HE2 HIS 78 HE2 HIS 78 3.953 10.243 15.023 625 HA PRO 79 HA PRO 79 10.607 10.944 8.251 626 HB2 PRO 79 1HB PRO 79 12.947 11.674 9.998 627 HB3 PRO 79 2HB PRO 79 12.417 12.407 8.469 628 HG2 PRO 79 1HG PRO 79 11.978 13.648 10.783 629 HG3 PRO 79 2HG PRO 79 10.748 13.665 9.502 630 HD2 PRO 79 1HD PRO 79 10.808 12.020 12.028 631 HD3 PRO 79 2HD PRO 79 9.421 12.790 11.224 632 H ASN 80 H ASN 80 11.585 9.455 11.289 633 HA ASN 80 HA ASN 80 13.441 7.589 10.074 634 HB2 ASN 80 1HB ASN 80 12.312 7.891 12.870 635 HB3 ASN 80 2HB ASN 80 13.485 6.651 12.420 636 HD21 ASN 80 2HD2 ASN 80 13.083 10.046 13.173 637 HD22 ASN 80 1HD2 ASN 80 14.721 10.467 13.034 638 H GLN 81 H GLN 81 10.372 7.713 9.489 639 HA GLN 81 HA GLN 81 9.944 4.791 9.717 640 HB2 GLN 81 1HB GLN 81 7.953 7.005 10.312 641 HB3 GLN 81 2HB GLN 81 7.510 5.309 10.083 642 HG2 GLN 81 1HG GLN 81 9.024 4.669 11.929 643 HG3 GLN 81 2HG GLN 81 9.427 6.365 12.180 644 HE21 GLN 81 2HE2 GLN 81 6.365 6.809 11.391 645 HE22 GLN 81 1HE2 GLN 81 5.582 6.560 12.876 646 H ILE 82 H ILE 82 9.150 3.872 7.913 647 HA ILE 82 HA ILE 82 8.546 5.644 5.597 648 HB ILE 82 HB ILE 82 9.398 2.886 4.929 649 HG12 ILE 82 1HG1 ILE 82 10.837 3.155 6.928 650 HG13 ILE 82 2HG1 ILE 82 11.787 3.198 5.454 651 HG21 ILE 82 1HG2 ILE 82 10.500 5.611 4.171 652 HG22 ILE 82 2HG2 ILE 82 9.194 4.779 3.344 653 HG23 ILE 82 3HG2 ILE 82 10.815 4.087 3.344 654 HD11 ILE 82 3HD1 ILE 82 11.725 5.132 7.537 655 HD12 ILE 82 1HD1 ILE 82 11.013 5.902 6.118 656 HD13 ILE 82 2HD1 ILE 82 12.623 5.200 6.022 657 H GLY 83 H GLY 83 6.625 5.326 4.558 658 HA2 GLY 83 1HA GLY 83 4.499 4.546 4.208 659 HA3 GLY 83 2HA GLY 83 5.280 2.973 4.145 660 H LEU 84 H LEU 84 3.121 4.956 5.856 661 HA LEU 84 HA LEU 84 3.185 3.261 8.287 662 HB2 LEU 84 1HB LEU 84 1.504 5.709 7.704 663 HB3 LEU 84 2HB LEU 84 1.735 4.918 9.263 664 HG LEU 84 HG LEU 84 3.898 6.294 7.638 665 HD11 LEU 84 1HD1 LEU 84 3.877 7.930 9.492 666 HD12 LEU 84 2HD1 LEU 84 2.537 7.057 10.237 667 HD13 LEU 84 3HD1 LEU 84 2.312 7.856 8.681 668 HD21 LEU 84 3HD2 LEU 84 5.165 5.981 9.897 669 HD22 LEU 84 1HD2 LEU 84 5.019 4.581 8.840 670 HD23 LEU 84 2HD2 LEU 84 3.958 4.744 10.240 671 H GLY 85 H GLY 85 1.977 3.192 5.317 672 HA2 GLY 85 1HA GLY 85 0.475 1.584 4.432 673 HA3 GLY 85 2HA GLY 85 -0.263 1.411 6.022 674 H VAL 86 H VAL 86 0.346 4.246 3.967 675 HA VAL 86 HA VAL 86 -2.530 4.978 4.150 676 HB VAL 86 HB VAL 86 -0.947 6.621 5.116 677 HG11 VAL 86 1HG1 VAL 86 0.953 6.026 3.566 678 HG12 VAL 86 2HG1 VAL 86 0.670 7.758 3.730 679 HG13 VAL 86 3HG1 VAL 86 0.116 6.908 2.288 680 HG21 VAL 86 3HG2 VAL 86 -1.838 8.553 3.963 681 HG22 VAL 86 1HG2 VAL 86 -3.086 7.308 3.961 682 HG23 VAL 86 2HG2 VAL 86 -2.138 7.612 2.503 683 H THR 87 H THR 87 -3.608 5.640 2.289 684 HA THR 87 HA THR 87 -2.480 4.619 -0.242 685 HB THR 87 HB THR 87 -5.322 5.392 0.456 686 HG1 THR 87 HG1 THR 87 -4.929 3.665 1.677 687 HG21 THR 87 3HG2 THR 87 -5.837 3.989 -1.521 688 HG22 THR 87 1HG2 THR 87 -4.113 3.806 -1.824 689 HG23 THR 87 2HG2 THR 87 -4.868 5.396 -1.946 Start of MODEL 2 1 H1 MET 1 1H MET 1 -22.271 -13.220 4.041 2 H2 MET 1 2H MET 1 -22.968 -14.190 5.250 3 H3 MET 1 3H MET 1 -23.921 -13.615 3.966 4 HA MET 1 HA MET 1 -23.173 -16.029 3.863 5 HB2 MET 1 1HB MET 1 -24.140 -14.723 1.969 6 HB3 MET 1 2HB MET 1 -22.517 -14.171 1.553 7 HG2 MET 1 1HG MET 1 -21.799 -16.477 1.151 8 HG3 MET 1 2HG MET 1 -23.373 -17.080 1.668 9 HE1 MET 1 3HE MET 1 -23.679 -17.928 -1.964 10 HE2 MET 1 1HE MET 1 -24.653 -18.143 -0.506 11 HE3 MET 1 2HE MET 1 -22.906 -18.373 -0.444 12 H ASN 2 H ASN 2 -20.784 -13.607 2.773 13 HA ASN 2 HA ASN 2 -18.622 -15.534 2.770 14 HB2 ASN 2 1HB ASN 2 -17.228 -13.554 2.199 15 HB3 ASN 2 2HB ASN 2 -18.611 -13.754 1.126 16 HD21 ASN 2 2HD2 ASN 2 -18.012 -12.143 4.318 17 HD22 ASN 2 1HD2 ASN 2 -18.828 -10.715 3.897 18 H GLU 3 H GLU 3 -16.477 -14.534 3.846 19 HA GLU 3 HA GLU 3 -16.844 -13.320 6.434 20 HB2 GLU 3 1HB GLU 3 -16.038 -15.276 7.744 21 HB3 GLU 3 2HB GLU 3 -17.611 -15.571 7.004 22 HG2 GLU 3 1HG GLU 3 -16.468 -16.742 5.121 23 HG3 GLU 3 2HG GLU 3 -14.928 -16.519 5.951 24 H ALA 4 H ALA 4 -14.851 -12.878 7.478 25 HA ALA 4 HA ALA 4 -12.593 -12.473 7.658 26 HB1 ALA 4 3HB ALA 4 -12.454 -14.925 6.726 27 HB2 ALA 4 1HB ALA 4 -11.014 -13.909 6.669 28 HB3 ALA 4 2HB ALA 4 -11.980 -14.147 5.216 29 H LYS 5 H LYS 5 -10.980 -11.151 6.689 30 HA LYS 5 HA LYS 5 -11.256 -10.112 4.030 31 HB2 LYS 5 1HB LYS 5 -11.729 -7.685 4.952 32 HB3 LYS 5 2HB LYS 5 -13.074 -8.794 4.691 33 HG2 LYS 5 1HG LYS 5 -13.201 -7.637 6.891 34 HG3 LYS 5 2HG LYS 5 -13.120 -9.391 7.044 35 HD2 LYS 5 1HD LYS 5 -10.822 -9.338 7.707 36 HD3 LYS 5 2HD LYS 5 -10.638 -7.653 7.215 37 HE2 LYS 5 1HE LYS 5 -10.818 -7.760 9.642 38 HE3 LYS 5 2HE LYS 5 -12.283 -7.017 9.001 39 HZ1 LYS 5 3HZ LYS 5 -12.284 -9.916 9.296 40 HZ2 LYS 5 1HZ LYS 5 -13.537 -8.798 9.544 41 HZ3 LYS 5 2HZ LYS 5 -12.335 -9.002 10.727 42 H GLY 6 H GLY 6 -9.979 -7.855 3.979 43 HA2 GLY 6 1HA GLY 6 -7.364 -8.345 5.346 44 HA3 GLY 6 2HA GLY 6 -7.525 -7.666 3.731 45 H VAL 7 H VAL 7 -7.442 -5.512 3.554 46 HA VAL 7 HA VAL 7 -8.086 -3.811 5.908 47 HB VAL 7 HB VAL 7 -5.819 -3.339 3.949 48 HG11 VAL 7 1HG1 VAL 7 -6.621 -2.055 6.580 49 HG12 VAL 7 2HG1 VAL 7 -6.626 -1.295 4.989 50 HG13 VAL 7 3HG1 VAL 7 -5.100 -1.739 5.748 51 HG21 VAL 7 3HG2 VAL 7 -4.360 -4.038 5.859 52 HG22 VAL 7 1HG2 VAL 7 -5.359 -5.359 5.246 53 HG23 VAL 7 2HG2 VAL 7 -5.807 -4.533 6.738 54 H TYR 8 H TYR 8 -8.745 -1.650 5.363 55 HA TYR 8 HA TYR 8 -9.879 -1.362 2.624 56 HB2 TYR 8 1HB TYR 8 -11.046 -0.494 5.278 57 HB3 TYR 8 2HB TYR 8 -11.762 -0.196 3.694 58 HD1 TYR 8 HD2 TYR 8 -12.667 -2.060 2.340 59 HD2 TYR 8 HD1 TYR 8 -11.060 -2.734 6.271 60 HE1 TYR 8 HE2 TYR 8 -13.725 -4.302 2.391 61 HE2 TYR 8 HE1 TYR 8 -12.119 -4.978 6.317 62 HH TYR 8 HH TYR 8 -14.019 -6.139 5.234 63 H VAL 9 H VAL 9 -9.428 0.495 1.591 64 HA VAL 9 HA VAL 9 -7.583 2.401 2.740 65 HB VAL 9 HB VAL 9 -9.071 2.264 0.096 66 HG11 VAL 9 1HG1 VAL 9 -8.624 4.601 0.438 67 HG12 VAL 9 2HG1 VAL 9 -7.367 4.004 -0.644 68 HG13 VAL 9 3HG1 VAL 9 -7.016 4.263 1.063 69 HG21 VAL 9 3HG2 VAL 9 -6.776 1.735 -0.745 70 HG22 VAL 9 1HG2 VAL 9 -7.402 0.529 0.375 71 HG23 VAL 9 2HG2 VAL 9 -6.209 1.711 0.919 72 H MET 10 H MET 10 -8.204 4.139 4.022 73 HA MET 10 HA MET 10 -10.960 4.806 4.288 74 HB2 MET 10 1HB MET 10 -8.541 6.345 5.261 75 HB3 MET 10 2HB MET 10 -10.167 6.346 5.946 76 HG2 MET 10 1HG MET 10 -8.289 3.962 5.856 77 HG3 MET 10 2HG MET 10 -8.647 4.937 7.272 78 HE1 MET 10 3HE MET 10 -9.287 2.804 8.589 79 HE2 MET 10 1HE MET 10 -11.026 2.585 8.804 80 HE3 MET 10 2HE MET 10 -10.311 4.188 8.966 81 H SER 11 H SER 11 -8.211 6.976 3.487 82 HA SER 11 HA SER 11 -9.967 8.387 1.517 83 HB2 SER 11 1HB SER 11 -9.099 10.506 2.290 84 HB3 SER 11 2HB SER 11 -9.751 9.631 3.673 85 HG SER 11 HG SER 11 -7.844 9.786 4.505 86 H VAL 12 H VAL 12 -8.739 9.756 0.004 87 HA VAL 12 HA VAL 12 -6.086 8.606 -0.701 88 HB VAL 12 HB VAL 12 -8.228 9.579 -2.609 89 HG11 VAL 12 1HG1 VAL 12 -5.597 8.131 -3.009 90 HG12 VAL 12 2HG1 VAL 12 -5.967 9.787 -3.489 91 HG13 VAL 12 3HG1 VAL 12 -6.778 8.437 -4.285 92 HG21 VAL 12 3HG2 VAL 12 -8.894 7.489 -1.417 93 HG22 VAL 12 1HG2 VAL 12 -7.402 6.732 -1.978 94 HG23 VAL 12 2HG2 VAL 12 -8.624 7.248 -3.135 95 H LEU 13 H LEU 13 -4.573 10.099 -0.616 96 HA LEU 13 HA LEU 13 -5.309 12.910 -0.497 97 HB2 LEU 13 1HB LEU 13 -2.952 11.268 0.273 98 HB3 LEU 13 2HB LEU 13 -2.566 12.900 -0.250 99 HG LEU 13 HG LEU 13 -4.233 13.765 1.417 100 HD11 LEU 13 1HD1 LEU 13 -5.676 11.808 1.575 101 HD12 LEU 13 2HD1 LEU 13 -4.982 12.109 3.165 102 HD13 LEU 13 3HD1 LEU 13 -4.339 10.815 2.154 103 HD21 LEU 13 3HD2 LEU 13 -2.120 11.941 2.614 104 HD22 LEU 13 1HD2 LEU 13 -2.808 13.384 3.360 105 HD23 LEU 13 2HD2 LEU 13 -1.786 13.531 1.931 106 HA PRO 14 HA PRO 14 -4.291 13.892 -4.676 107 HB2 PRO 14 1HB PRO 14 -3.459 16.494 -4.479 108 HB3 PRO 14 2HB PRO 14 -5.147 16.015 -4.206 109 HG2 PRO 14 1HG PRO 14 -2.984 16.517 -2.179 110 HG3 PRO 14 2HG PRO 14 -4.666 17.095 -2.185 111 HD2 PRO 14 1HD PRO 14 -3.918 14.930 -0.712 112 HD3 PRO 14 2HD PRO 14 -5.522 15.037 -1.475 113 H ASN 15 H ASN 15 -2.608 14.121 -6.153 114 HA ASN 15 HA ASN 15 -0.505 13.726 -6.968 115 HB2 ASN 15 1HB ASN 15 -0.277 16.055 -6.110 116 HB3 ASN 15 2HB ASN 15 0.330 15.395 -4.591 117 HD21 ASN 15 2HD2 ASN 15 2.162 16.986 -5.782 118 HD22 ASN 15 1HD2 ASN 15 3.356 16.092 -6.590 119 H MET 16 H MET 16 -1.415 11.594 -5.430 120 HA MET 16 HA MET 16 1.045 10.719 -4.012 121 HB2 MET 16 1HB MET 16 -1.882 10.328 -3.376 122 HB3 MET 16 2HB MET 16 -0.706 9.170 -2.778 123 HG2 MET 16 1HG MET 16 -0.479 12.163 -2.338 124 HG3 MET 16 2HG MET 16 -1.214 11.063 -1.188 125 HE1 MET 16 3HE MET 16 0.841 12.807 -0.119 126 HE2 MET 16 1HE MET 16 2.002 11.757 0.699 127 HE3 MET 16 2HE MET 16 0.274 11.430 0.824 128 HA PRO 17 HA PRO 17 1.436 7.436 -6.878 129 HB2 PRO 17 1HB PRO 17 2.259 5.318 -5.238 130 HB3 PRO 17 2HB PRO 17 3.319 6.629 -5.788 131 HG2 PRO 17 1HG PRO 17 1.898 6.321 -3.167 132 HG3 PRO 17 2HG PRO 17 3.535 6.926 -3.487 133 HD2 PRO 17 1HD PRO 17 1.507 8.615 -2.968 134 HD3 PRO 17 2HD PRO 17 2.776 9.040 -4.107 135 H ALA 18 H ALA 18 -0.792 7.064 -4.238 136 HA ALA 18 HA ALA 18 -1.975 4.604 -5.315 137 HB1 ALA 18 3HB ALA 18 -3.443 4.787 -3.351 138 HB2 ALA 18 1HB ALA 18 -2.763 6.373 -2.984 139 HB3 ALA 18 2HB ALA 18 -1.752 4.940 -2.891 140 H ALA 19 H ALA 19 -2.471 8.017 -5.418 141 HA ALA 19 HA ALA 19 -5.251 7.993 -6.128 142 HB1 ALA 19 3HB ALA 19 -4.890 10.323 -6.880 143 HB2 ALA 19 1HB ALA 19 -3.157 10.120 -6.628 144 HB3 ALA 19 2HB ALA 19 -4.263 10.036 -5.256 145 H GLY 20 H GLY 20 -6.244 7.993 -8.093 146 HA2 GLY 20 1HA GLY 20 -6.466 7.990 -10.424 147 HA3 GLY 20 2HA GLY 20 -4.714 8.035 -10.586 148 H ARG 21 H ARG 21 -4.596 5.759 -8.558 149 HA ARG 21 HA ARG 21 -5.294 3.522 -10.408 150 HB2 ARG 21 1HB ARG 21 -2.959 3.859 -8.502 151 HB3 ARG 21 2HB ARG 21 -3.364 2.334 -9.297 152 HG2 ARG 21 1HG ARG 21 -3.081 3.359 -11.492 153 HG3 ARG 21 2HG ARG 21 -2.787 4.931 -10.748 154 HD2 ARG 21 1HD ARG 21 -0.801 4.027 -9.611 155 HD3 ARG 21 2HD ARG 21 -1.085 2.454 -10.364 156 HE ARG 21 HE ARG 21 -0.943 4.088 -12.517 157 HH11 ARG 21 1HH2 ARG 21 1.026 3.732 -9.694 158 HH12 ARG 21 2HH2 ARG 21 2.501 4.159 -10.491 159 HH21 ARG 21 1HH1 ARG 21 0.999 4.657 -13.584 160 HH22 ARG 21 2HH1 ARG 21 2.487 4.687 -12.698 161 H LEU 22 H LEU 22 -5.190 4.702 -7.093 162 HA LEU 22 HA LEU 22 -6.913 2.446 -6.269 163 HB2 LEU 22 1HB LEU 22 -4.408 3.131 -5.205 164 HB3 LEU 22 2HB LEU 22 -5.524 3.865 -4.066 165 HG LEU 22 HG LEU 22 -4.981 1.610 -3.371 166 HD11 LEU 22 1HD1 LEU 22 -7.169 0.881 -2.879 167 HD12 LEU 22 2HD1 LEU 22 -7.815 1.448 -4.408 168 HD13 LEU 22 3HD1 LEU 22 -7.375 2.609 -3.157 169 HD21 LEU 22 3HD2 LEU 22 -4.854 -0.208 -4.760 170 HD22 LEU 22 1HD2 LEU 22 -4.877 0.963 -6.075 171 HD23 LEU 22 2HD2 LEU 22 -6.368 0.188 -5.573 172 H GLU 23 H GLU 23 -8.781 2.858 -5.208 173 HA GLU 23 HA GLU 23 -9.457 5.699 -4.673 174 HB2 GLU 23 1HB GLU 23 -11.058 3.605 -6.138 175 HB3 GLU 23 2HB GLU 23 -11.766 5.090 -5.512 176 HG2 GLU 23 1HG GLU 23 -10.190 6.419 -6.882 177 HG3 GLU 23 2HG GLU 23 -9.446 4.934 -7.471 178 H ALA 24 H ALA 24 -10.967 6.052 -3.097 179 HA ALA 24 HA ALA 24 -10.790 4.488 -0.785 180 HB1 ALA 24 3HB ALA 24 -11.437 6.891 -0.788 181 HB2 ALA 24 1HB ALA 24 -12.595 5.900 0.098 182 HB3 ALA 24 2HB ALA 24 -12.977 6.458 -1.530 183 H GLY 25 H GLY 25 -12.074 2.880 0.062 184 HA2 GLY 25 1HA GLY 25 -14.107 1.627 0.228 185 HA3 GLY 25 2HA GLY 25 -14.447 1.976 -1.464 186 H ASP 26 H ASP 26 -11.581 1.481 -2.205 187 HA ASP 26 HA ASP 26 -11.833 -1.333 -2.762 188 HB2 ASP 26 1HB ASP 26 -9.504 0.545 -3.052 189 HB3 ASP 26 2HB ASP 26 -9.540 -1.059 -3.694 190 H ARG 27 H ARG 27 -10.642 -3.062 -1.936 191 HA ARG 27 HA ARG 27 -9.293 -2.599 0.667 192 HB2 ARG 27 1HB ARG 27 -10.098 -4.727 1.395 193 HB3 ARG 27 2HB ARG 27 -11.475 -3.898 0.694 194 HG2 ARG 27 1HG ARG 27 -11.066 -5.156 -1.444 195 HG3 ARG 27 2HG ARG 27 -9.804 -6.073 -0.621 196 HD2 ARG 27 1HD ARG 27 -11.769 -7.418 -0.460 197 HD3 ARG 27 2HD ARG 27 -11.574 -6.684 1.125 198 HE ARG 27 HE ARG 27 -13.191 -4.988 -0.424 199 HH11 ARG 27 1HH2 ARG 27 -13.187 -8.154 0.972 200 HH12 ARG 27 2HH2 ARG 27 -14.902 -8.209 1.204 201 HH21 ARG 27 1HH1 ARG 27 -15.444 -5.042 -0.131 202 HH22 ARG 27 2HH1 ARG 27 -16.184 -6.437 0.575 203 H ILE 28 H ILE 28 -7.606 -4.062 1.195 204 HA ILE 28 HA ILE 28 -5.927 -4.712 -1.163 205 HB ILE 28 HB ILE 28 -5.019 -4.749 1.727 206 HG12 ILE 28 1HG1 ILE 28 -5.959 -2.553 1.368 207 HG13 ILE 28 2HG1 ILE 28 -4.208 -2.413 1.284 208 HG21 ILE 28 1HG2 ILE 28 -3.548 -5.817 0.056 209 HG22 ILE 28 2HG2 ILE 28 -2.813 -4.339 0.679 210 HG23 ILE 28 3HG2 ILE 28 -3.574 -4.346 -0.916 211 HD11 ILE 28 3HD1 ILE 28 -4.519 -2.669 -1.295 212 HD12 ILE 28 1HD1 ILE 28 -4.972 -1.135 -0.557 213 HD13 ILE 28 2HD1 ILE 28 -6.215 -2.310 -0.974 214 H ALA 29 H ALA 29 -5.891 -6.706 -1.869 215 HA ALA 29 HA ALA 29 -6.747 -8.945 -0.148 216 HB1 ALA 29 3HB ALA 29 -7.740 -8.787 -2.366 217 HB2 ALA 29 1HB ALA 29 -6.731 -10.230 -2.260 218 HB3 ALA 29 2HB ALA 29 -6.141 -8.801 -3.111 219 H ALA 30 H ALA 30 -3.897 -7.477 -1.292 220 HA ALA 30 HA ALA 30 -2.166 -9.152 0.145 221 HB1 ALA 30 3HB ALA 30 -1.003 -10.237 -1.930 222 HB2 ALA 30 1HB ALA 30 -2.557 -9.964 -2.727 223 HB3 ALA 30 2HB ALA 30 -2.466 -10.990 -1.296 224 H ILE 31 H ILE 31 0.128 -8.791 -0.325 225 HA ILE 31 HA ILE 31 0.721 -6.393 -1.931 226 HB ILE 31 HB ILE 31 1.473 -6.677 0.991 227 HG12 ILE 31 1HG1 ILE 31 -0.125 -4.531 -0.442 228 HG13 ILE 31 2HG1 ILE 31 -0.855 -5.853 0.450 229 HG21 ILE 31 1HG2 ILE 31 2.396 -4.739 -1.161 230 HG22 ILE 31 2HG2 ILE 31 3.392 -5.741 -0.111 231 HG23 ILE 31 3HG2 ILE 31 2.530 -4.365 0.557 232 HD11 ILE 31 3HD1 ILE 31 0.951 -3.708 1.574 233 HD12 ILE 31 1HD1 ILE 31 0.402 -5.118 2.470 234 HD13 ILE 31 2HD1 ILE 31 -0.769 -3.931 1.908 235 H ASP 32 H ASP 32 2.478 -6.618 -3.101 236 HA ASP 32 HA ASP 32 4.355 -7.613 -4.028 237 HB2 ASP 32 1HB ASP 32 5.247 -6.479 -1.947 238 HB3 ASP 32 2HB ASP 32 5.146 -8.040 -1.135 239 H GLY 33 H GLY 33 2.018 -9.378 -2.936 240 HA2 GLY 33 1HA GLY 33 1.682 -11.634 -3.694 241 HA3 GLY 33 2HA GLY 33 3.377 -11.976 -3.388 242 H GLN 34 H GLN 34 2.521 -10.248 -0.775 243 HA GLN 34 HA GLN 34 2.073 -12.671 0.799 244 HB2 GLN 34 1HB GLN 34 2.960 -11.546 2.645 245 HB3 GLN 34 2HB GLN 34 3.861 -10.865 1.293 246 HG2 GLN 34 1HG GLN 34 1.982 -9.014 1.319 247 HG3 GLN 34 2HG GLN 34 1.658 -9.615 2.922 248 HE21 GLN 34 2HE2 GLN 34 2.728 -8.537 4.504 249 HE22 GLN 34 1HE2 GLN 34 4.231 -7.767 4.332 250 HA PRO 35 HA PRO 35 -2.256 -11.426 1.277 251 HB2 PRO 35 1HB PRO 35 -3.122 -13.345 2.995 252 HB3 PRO 35 2HB PRO 35 -2.697 -13.726 1.312 253 HG2 PRO 35 1HG PRO 35 -1.058 -14.100 3.800 254 HG3 PRO 35 2HG PRO 35 -1.287 -15.212 2.435 255 HD2 PRO 35 1HD PRO 35 0.936 -13.587 2.692 256 HD3 PRO 35 2HD PRO 35 0.303 -14.140 1.120 257 H ILE 36 H ILE 36 -3.199 -9.944 2.520 258 HA ILE 36 HA ILE 36 -2.069 -9.302 5.182 259 HB ILE 36 HB ILE 36 -3.901 -7.587 3.488 260 HG12 ILE 36 1HG1 ILE 36 -1.919 -7.960 2.170 261 HG13 ILE 36 2HG1 ILE 36 -1.775 -6.359 2.880 262 HG21 ILE 36 1HG2 ILE 36 -3.025 -5.781 4.906 263 HG22 ILE 36 2HG2 ILE 36 -2.010 -6.931 5.770 264 HG23 ILE 36 3HG2 ILE 36 -3.765 -7.023 5.901 265 HD11 ILE 36 3HD1 ILE 36 -0.427 -7.541 4.763 266 HD12 ILE 36 1HD1 ILE 36 0.360 -7.362 3.196 267 HD13 ILE 36 2HD1 ILE 36 -0.355 -8.897 3.653 268 H ASN 37 H ASN 37 -3.053 -10.013 6.812 269 HA ASN 37 HA ASN 37 -6.006 -10.350 6.862 270 HB2 ASN 37 1HB ASN 37 -4.651 -12.424 7.229 271 HB3 ASN 37 2HB ASN 37 -3.960 -11.670 8.667 272 HD21 ASN 37 2HD2 ASN 37 -7.198 -12.395 7.240 273 HD22 ASN 37 1HD2 ASN 37 -7.944 -12.718 8.730 274 H THR 38 H THR 38 -3.290 -8.800 8.439 275 HA THR 38 HA THR 38 -5.183 -7.343 10.206 276 HB THR 38 HB THR 38 -3.921 -7.688 12.155 277 HG1 THR 38 HG1 THR 38 -1.889 -7.297 11.746 278 HG21 THR 38 3HG2 THR 38 -4.965 -9.819 11.336 279 HG22 THR 38 1HG2 THR 38 -3.564 -10.064 12.378 280 HG23 THR 38 2HG2 THR 38 -3.407 -10.251 10.632 281 H SER 39 H SER 39 -4.209 -5.379 11.127 282 HA SER 39 HA SER 39 -3.005 -3.788 9.102 283 HB2 SER 39 1HB SER 39 -2.878 -2.064 10.872 284 HB3 SER 39 2HB SER 39 -4.474 -2.814 10.809 285 HG SER 39 HG SER 39 -2.651 -2.779 12.807 286 H GLU 40 H GLU 40 -1.808 -5.574 11.891 287 HA GLU 40 HA GLU 40 0.780 -4.471 12.050 288 HB2 GLU 40 1HB GLU 40 -0.152 -7.288 12.656 289 HB3 GLU 40 2HB GLU 40 1.366 -6.577 13.201 290 HG2 GLU 40 1HG GLU 40 -1.369 -5.443 13.845 291 HG3 GLU 40 2HG GLU 40 -0.461 -6.501 14.922 292 H GLN 41 H GLN 41 -0.529 -7.100 10.086 293 HA GLN 41 HA GLN 41 1.829 -8.139 9.056 294 HB2 GLN 41 1HB GLN 41 -0.861 -7.755 7.723 295 HB3 GLN 41 2HB GLN 41 0.452 -8.673 6.990 296 HG2 GLN 41 1HG GLN 41 -0.656 -9.265 9.754 297 HG3 GLN 41 2HG GLN 41 -1.218 -10.071 8.291 298 HE21 GLN 41 2HE2 GLN 41 0.809 -10.598 10.831 299 HE22 GLN 41 1HE2 GLN 41 1.986 -11.559 10.077 300 H ILE 42 H ILE 42 0.087 -5.163 8.051 301 HA ILE 42 HA ILE 42 1.664 -4.591 5.807 302 HB ILE 42 HB ILE 42 0.254 -2.740 7.736 303 HG12 ILE 42 1HG1 ILE 42 -1.243 -4.440 6.781 304 HG13 ILE 42 2HG1 ILE 42 -1.619 -2.841 6.147 305 HG21 ILE 42 1HG2 ILE 42 1.819 -1.475 6.343 306 HG22 ILE 42 2HG2 ILE 42 0.163 -1.157 5.843 307 HG23 ILE 42 3HG2 ILE 42 1.164 -2.242 4.897 308 HD11 ILE 42 3HD1 ILE 42 -0.446 -5.208 4.754 309 HD12 ILE 42 1HD1 ILE 42 0.072 -3.625 4.207 310 HD13 ILE 42 2HD1 ILE 42 -1.628 -4.045 4.169 311 H VAL 43 H VAL 43 2.174 -3.992 9.286 312 HA VAL 43 HA VAL 43 4.231 -2.096 9.013 313 HB VAL 43 HB VAL 43 3.795 -4.147 11.173 314 HG11 VAL 43 1HG1 VAL 43 5.334 -1.543 11.124 315 HG12 VAL 43 2HG1 VAL 43 5.985 -3.162 11.387 316 HG13 VAL 43 3HG1 VAL 43 4.937 -2.432 12.597 317 HG21 VAL 43 3HG2 VAL 43 2.780 -1.294 10.979 318 HG22 VAL 43 1HG2 VAL 43 2.471 -2.431 12.292 319 HG23 VAL 43 2HG2 VAL 43 1.794 -2.728 10.695 320 H SER 44 H SER 44 4.331 -5.715 9.245 321 HA SER 44 HA SER 44 7.106 -5.956 9.364 322 HB2 SER 44 1HB SER 44 6.680 -8.222 8.447 323 HB3 SER 44 2HB SER 44 5.589 -7.810 9.767 324 HG SER 44 HG SER 44 4.653 -7.028 7.324 325 H TYR 45 H TYR 45 4.916 -5.790 6.615 326 HA TYR 45 HA TYR 45 6.834 -6.229 4.611 327 HB2 TYR 45 1HB TYR 45 4.883 -6.171 3.405 328 HB3 TYR 45 2HB TYR 45 4.056 -5.384 4.737 329 HD1 TYR 45 HD2 TYR 45 6.634 -4.484 2.126 330 HD2 TYR 45 HD1 TYR 45 3.092 -3.300 4.231 331 HE1 TYR 45 HE2 TYR 45 6.585 -2.351 0.867 332 HE2 TYR 45 HE1 TYR 45 3.036 -1.184 2.964 333 HH TYR 45 HH TYR 45 5.017 0.261 1.706 334 H VAL 46 H VAL 46 5.566 -3.046 5.737 335 HA VAL 46 HA VAL 46 7.266 -1.443 4.301 336 HB VAL 46 HB VAL 46 6.184 -1.000 7.102 337 HG11 VAL 46 1HG1 VAL 46 7.463 0.885 5.112 338 HG12 VAL 46 2HG1 VAL 46 7.975 0.569 6.770 339 HG13 VAL 46 3HG1 VAL 46 6.478 1.444 6.462 340 HG21 VAL 46 3HG2 VAL 46 5.177 -0.206 4.344 341 HG22 VAL 46 1HG2 VAL 46 4.474 0.351 5.862 342 HG23 VAL 46 2HG2 VAL 46 4.421 -1.356 5.442 343 H ARG 47 H ARG 47 7.877 -3.031 7.387 344 HA ARG 47 HA ARG 47 10.349 -1.845 7.975 345 HB2 ARG 47 1HB ARG 47 9.214 -4.565 8.655 346 HB3 ARG 47 2HB ARG 47 10.720 -3.961 9.327 347 HG2 ARG 47 1HG ARG 47 8.314 -2.148 9.568 348 HG3 ARG 47 2HG ARG 47 8.319 -3.587 10.581 349 HD2 ARG 47 1HD ARG 47 9.317 -1.718 11.799 350 HD3 ARG 47 2HD ARG 47 10.551 -2.933 11.469 351 HE ARG 47 HE ARG 47 10.319 -0.809 9.487 352 HH11 ARG 47 1HH2 ARG 47 11.860 -1.950 12.383 353 HH12 ARG 47 2HH2 ARG 47 13.261 -0.952 12.183 354 HH21 ARG 47 1HH1 ARG 47 12.141 0.464 9.210 355 HH22 ARG 47 2HH1 ARG 47 13.421 0.423 10.373 356 H GLU 48 H GLU 48 9.522 -4.627 5.927 357 HA GLU 48 HA GLU 48 12.148 -5.571 5.528 358 HB2 GLU 48 1HB GLU 48 10.041 -6.782 4.867 359 HB3 GLU 48 2HB GLU 48 9.855 -5.640 3.541 360 HG2 GLU 48 1HG GLU 48 10.924 -7.601 2.640 361 HG3 GLU 48 2HG GLU 48 12.156 -6.349 2.727 362 H LYS 49 H LYS 49 10.165 -3.289 3.687 363 HA LYS 49 HA LYS 49 12.408 -2.558 1.958 364 HB2 LYS 49 1HB LYS 49 9.666 -1.270 1.930 365 HB3 LYS 49 2HB LYS 49 10.810 -1.459 0.635 366 HG2 LYS 49 1HG LYS 49 9.309 -3.748 1.929 367 HG3 LYS 49 2HG LYS 49 8.882 -2.991 0.400 368 HD2 LYS 49 1HD LYS 49 11.101 -3.607 -0.515 369 HD3 LYS 49 2HD LYS 49 11.473 -4.437 0.996 370 HE2 LYS 49 1HE LYS 49 9.594 -5.950 0.677 371 HE3 LYS 49 2HE LYS 49 9.139 -5.099 -0.799 372 HZ1 LYS 49 3HZ LYS 49 11.267 -5.677 -1.764 373 HZ2 LYS 49 1HZ LYS 49 10.439 -7.079 -1.284 374 HZ3 LYS 49 2HZ LYS 49 11.723 -6.482 -0.341 375 H GLN 50 H GLN 50 12.513 -0.121 1.509 376 HA GLN 50 HA GLN 50 12.175 1.554 3.875 377 HB2 GLN 50 1HB GLN 50 14.494 2.100 4.150 378 HB3 GLN 50 2HB GLN 50 14.356 0.343 4.240 379 HG2 GLN 50 1HG GLN 50 14.883 0.393 1.664 380 HG3 GLN 50 2HG GLN 50 15.432 2.041 1.964 381 HE21 GLN 50 2HE2 GLN 50 17.304 0.185 1.049 382 HE22 GLN 50 1HE2 GLN 50 18.386 -0.180 2.304 383 H ALA 51 H ALA 51 11.582 3.368 3.239 384 HA ALA 51 HA ALA 51 10.814 4.804 1.314 385 HB1 ALA 51 3HB ALA 51 12.455 6.786 1.660 386 HB2 ALA 51 1HB ALA 51 13.254 5.739 2.832 387 HB3 ALA 51 2HB ALA 51 11.577 6.215 3.075 388 H GLY 52 H GLY 52 11.074 4.951 -0.912 389 HA2 GLY 52 1HA GLY 52 12.403 5.401 -2.862 390 HA3 GLY 52 2HA GLY 52 13.812 4.722 -2.048 391 H ASP 53 H ASP 53 11.483 2.647 -1.176 392 HA ASP 53 HA ASP 53 12.252 0.680 -3.200 393 HB2 ASP 53 1HB ASP 53 12.083 0.123 -0.765 394 HB3 ASP 53 2HB ASP 53 10.342 0.329 -0.881 395 H ARG 54 H ARG 54 10.350 -0.877 -3.830 396 HA ARG 54 HA ARG 54 7.885 0.556 -4.566 397 HB2 ARG 54 1HB ARG 54 9.487 -0.911 -6.689 398 HB3 ARG 54 2HB ARG 54 8.101 0.162 -6.909 399 HG2 ARG 54 1HG ARG 54 9.501 2.034 -6.012 400 HG3 ARG 54 2HG ARG 54 10.869 0.929 -5.972 401 HD2 ARG 54 1HD ARG 54 10.966 2.203 -8.034 402 HD3 ARG 54 2HD ARG 54 10.570 0.528 -8.416 403 HE ARG 54 HE ARG 54 8.179 1.987 -8.057 404 HH11 ARG 54 1HH2 ARG 54 10.890 1.691 -10.199 405 HH12 ARG 54 2HH2 ARG 54 10.005 2.179 -11.605 406 HH21 ARG 54 1HH1 ARG 54 7.012 2.623 -9.903 407 HH22 ARG 54 2HH1 ARG 54 7.810 2.707 -11.437 408 H VAL 55 H VAL 55 6.235 -0.775 -4.122 409 HA VAL 55 HA VAL 55 6.616 -3.699 -4.460 410 HB VAL 55 HB VAL 55 5.105 -3.937 -2.391 411 HG11 VAL 55 1HG1 VAL 55 6.965 -3.884 -0.877 412 HG12 VAL 55 2HG1 VAL 55 7.796 -2.657 -1.828 413 HG13 VAL 55 3HG1 VAL 55 7.630 -4.297 -2.450 414 HG21 VAL 55 3HG2 VAL 55 4.394 -1.526 -2.456 415 HG22 VAL 55 1HG2 VAL 55 6.027 -1.077 -1.967 416 HG23 VAL 55 2HG2 VAL 55 5.005 -2.029 -0.888 417 H ARG 56 H ARG 56 5.152 -4.693 -5.493 418 HA ARG 56 HA ARG 56 2.928 -3.347 -6.752 419 HB2 ARG 56 1HB ARG 56 4.003 -6.180 -6.784 420 HB3 ARG 56 2HB ARG 56 2.449 -5.806 -7.523 421 HG2 ARG 56 1HG ARG 56 4.252 -5.705 -9.199 422 HG3 ARG 56 2HG ARG 56 3.520 -4.118 -8.967 423 HD2 ARG 56 1HD ARG 56 6.065 -4.144 -9.056 424 HD3 ARG 56 2HD ARG 56 5.367 -3.361 -7.641 425 HE ARG 56 HE ARG 56 6.246 -5.060 -6.314 426 HH11 ARG 56 1HH2 ARG 56 6.312 -5.937 -9.662 427 HH12 ARG 56 2HH2 ARG 56 7.275 -7.354 -9.419 428 HH21 ARG 56 1HH1 ARG 56 7.514 -6.933 -5.982 429 HH22 ARG 56 2HH1 ARG 56 7.956 -7.919 -7.334 430 H VAL 57 H VAL 57 1.105 -2.969 -5.736 431 HA VAL 57 HA VAL 57 0.266 -4.677 -3.461 432 HB VAL 57 HB VAL 57 -0.499 -1.865 -4.272 433 HG11 VAL 57 1HG1 VAL 57 -2.492 -2.775 -3.317 434 HG12 VAL 57 2HG1 VAL 57 -1.710 -1.929 -1.985 435 HG13 VAL 57 3HG1 VAL 57 -1.591 -3.683 -2.105 436 HG21 VAL 57 3HG2 VAL 57 0.643 -1.253 -2.185 437 HG22 VAL 57 1HG2 VAL 57 1.733 -2.154 -3.237 438 HG23 VAL 57 2HG2 VAL 57 0.977 -2.951 -1.860 439 H THR 58 H THR 58 -1.580 -5.852 -3.542 440 HA THR 58 HA THR 58 -3.138 -5.840 -6.062 441 HB THR 58 HB THR 58 -3.126 -7.874 -3.811 442 HG1 THR 58 HG1 THR 58 -1.365 -8.611 -4.633 443 HG21 THR 58 3HG2 THR 58 -4.084 -9.340 -5.550 444 HG22 THR 58 1HG2 THR 58 -4.034 -8.008 -6.703 445 HG23 THR 58 2HG2 THR 58 -5.099 -7.921 -5.300 446 H PHE 59 H PHE 59 -5.250 -5.200 -6.048 447 HA PHE 59 HA PHE 59 -6.745 -5.140 -3.509 448 HB2 PHE 59 1HB PHE 59 -7.364 -2.848 -3.659 449 HB3 PHE 59 2HB PHE 59 -5.625 -2.853 -3.865 450 HD1 PHE 59 HD1 PHE 59 -4.601 -2.409 -6.102 451 HD2 PHE 59 HD2 PHE 59 -8.867 -2.368 -5.544 452 HE1 PHE 59 HE1 PHE 59 -4.895 -1.254 -8.288 453 HE2 PHE 59 HE2 PHE 59 -9.141 -1.207 -7.702 454 HZ PHE 59 HZ PHE 59 -7.159 -0.639 -9.074 455 H ILE 60 H ILE 60 -9.082 -5.201 -3.853 456 HA ILE 60 HA ILE 60 -9.874 -5.899 -6.608 457 HB ILE 60 HB ILE 60 -10.646 -6.869 -3.873 458 HG12 ILE 60 1HG1 ILE 60 -10.583 -9.056 -4.983 459 HG13 ILE 60 2HG1 ILE 60 -10.399 -8.276 -6.555 460 HG21 ILE 60 1HG2 ILE 60 -12.546 -6.766 -6.234 461 HG22 ILE 60 2HG2 ILE 60 -12.845 -6.229 -4.578 462 HG23 ILE 60 3HG2 ILE 60 -12.731 -7.949 -4.937 463 HD11 ILE 60 3HD1 ILE 60 -8.192 -7.629 -6.120 464 HD12 ILE 60 1HD1 ILE 60 -8.269 -9.185 -5.303 465 HD13 ILE 60 2HD1 ILE 60 -8.394 -7.695 -4.371 466 H ARG 61 H ARG 61 -11.399 -4.841 -7.622 467 HA ARG 61 HA ARG 61 -13.150 -2.980 -6.176 468 HB2 ARG 61 1HB ARG 61 -11.403 -1.537 -6.942 469 HB3 ARG 61 2HB ARG 61 -11.340 -2.327 -8.511 470 HG2 ARG 61 1HG ARG 61 -13.450 -1.411 -9.181 471 HG3 ARG 61 2HG ARG 61 -13.840 -0.912 -7.536 472 HD2 ARG 61 1HD ARG 61 -11.468 0.205 -9.053 473 HD3 ARG 61 2HD ARG 61 -13.066 0.949 -9.110 474 HE ARG 61 HE ARG 61 -11.221 0.974 -6.873 475 HH11 ARG 61 1HH2 ARG 61 -14.512 1.183 -7.934 476 HH12 ARG 61 2HH2 ARG 61 -15.057 2.059 -6.543 477 HH21 ARG 61 1HH1 ARG 61 -11.939 2.101 -5.015 478 HH22 ARG 61 2HH1 ARG 61 -13.597 2.578 -4.889 479 H ASP 62 H ASP 62 -15.135 -3.445 -6.660 480 HA ASP 62 HA ASP 62 -17.014 -4.273 -7.718 481 HB2 ASP 62 1HB ASP 62 -15.474 -3.181 -10.083 482 HB3 ASP 62 2HB ASP 62 -17.139 -3.745 -10.190 483 H ARG 63 H ARG 63 -15.029 -6.236 -7.169 484 HA ARG 63 HA ARG 63 -14.636 -8.416 -7.561 485 HB2 ARG 63 1HB ARG 63 -16.540 -8.209 -9.886 486 HB3 ARG 63 2HB ARG 63 -16.022 -9.664 -9.071 487 HG2 ARG 63 1HG ARG 63 -17.536 -7.429 -7.692 488 HG3 ARG 63 2HG ARG 63 -18.313 -8.841 -8.393 489 HD2 ARG 63 1HD ARG 63 -16.787 -10.260 -6.900 490 HD3 ARG 63 2HD ARG 63 -16.374 -8.762 -6.068 491 HE ARG 63 HE ARG 63 -19.176 -8.974 -6.207 492 HH11 ARG 63 1HH2 ARG 63 -16.394 -10.449 -4.751 493 HH12 ARG 63 2HH2 ARG 63 -17.243 -10.974 -3.336 494 HH21 ARG 63 1HH1 ARG 63 -20.292 -9.660 -4.363 495 HH22 ARG 63 2HH1 ARG 63 -19.460 -10.525 -3.119 496 H LYS 64 H LYS 64 -13.494 -6.018 -9.263 497 HA LYS 64 HA LYS 64 -12.074 -7.686 -11.269 498 HB2 LYS 64 1HB LYS 64 -12.260 -4.664 -11.187 499 HB3 LYS 64 2HB LYS 64 -11.648 -5.669 -12.500 500 HG2 LYS 64 1HG LYS 64 -13.995 -6.702 -12.615 501 HG3 LYS 64 2HG LYS 64 -14.512 -5.399 -11.549 502 HD2 LYS 64 1HD LYS 64 -13.154 -4.987 -14.226 503 HD3 LYS 64 2HD LYS 64 -14.890 -4.886 -13.959 504 HE2 LYS 64 1HE LYS 64 -14.376 -3.092 -12.201 505 HE3 LYS 64 2HE LYS 64 -12.737 -3.066 -12.853 506 HZ1 LYS 64 3HZ LYS 64 -14.692 -2.961 -14.917 507 HZ2 LYS 64 1HZ LYS 64 -13.403 -1.903 -14.596 508 HZ3 LYS 64 2HZ LYS 64 -14.895 -1.687 -13.812 509 H GLN 65 H GLN 65 -10.283 -8.424 -10.323 510 HA GLN 65 HA GLN 65 -8.829 -7.001 -8.318 511 HB2 GLN 65 1HB GLN 65 -7.343 -8.893 -8.337 512 HB3 GLN 65 2HB GLN 65 -9.001 -9.472 -8.424 513 HG2 GLN 65 1HG GLN 65 -8.127 -10.753 -10.168 514 HG3 GLN 65 2HG GLN 65 -8.520 -9.312 -11.095 515 HE21 GLN 65 2HE2 GLN 65 -6.090 -8.027 -9.478 516 HE22 GLN 65 1HE2 GLN 65 -4.753 -8.536 -10.389 517 H HIS 66 H HIS 66 -7.271 -5.575 -8.560 518 HA HIS 66 HA HIS 66 -5.607 -5.536 -11.002 519 HB2 HIS 66 1HB HIS 66 -7.046 -3.125 -9.882 520 HB3 HIS 66 2HB HIS 66 -5.839 -3.085 -11.164 521 HD1 HIS 66 HD1 HIS 66 -6.501 -4.532 -13.379 522 HD2 HIS 66 HD2 HIS 66 -9.593 -3.634 -10.741 523 HE1 HIS 66 HE1 HIS 66 -8.657 -4.884 -14.665 524 HE2 HIS 66 HE2 HIS 66 -10.555 -4.324 -13.073 525 H GLU 67 H GLU 67 -3.572 -4.808 -10.691 526 HA GLU 67 HA GLU 67 -2.587 -4.607 -7.974 527 HB2 GLU 67 1HB GLU 67 -1.187 -4.847 -10.641 528 HB3 GLU 67 2HB GLU 67 -0.346 -4.730 -9.095 529 HG2 GLU 67 1HG GLU 67 -1.424 -6.777 -8.315 530 HG3 GLU 67 2HG GLU 67 -2.363 -6.878 -9.803 531 H ALA 68 H ALA 68 -1.620 -2.861 -7.128 532 HA ALA 68 HA ALA 68 -1.609 -0.318 -8.657 533 HB1 ALA 68 3HB ALA 68 -2.180 0.844 -6.653 534 HB2 ALA 68 1HB ALA 68 -1.892 -0.579 -5.656 535 HB3 ALA 68 2HB ALA 68 -3.257 -0.542 -6.746 536 H GLU 69 H GLU 69 0.239 0.547 -8.955 537 HA GLU 69 HA GLU 69 2.679 -0.481 -7.775 538 HB2 GLU 69 1HB GLU 69 2.458 0.339 -10.180 539 HB3 GLU 69 2HB GLU 69 2.414 1.974 -9.531 540 HG2 GLU 69 1HG GLU 69 4.704 1.547 -10.107 541 HG3 GLU 69 2HG GLU 69 4.618 1.456 -8.353 542 H LEU 70 H LEU 70 2.938 0.026 -5.691 543 HA LEU 70 HA LEU 70 2.688 2.857 -4.805 544 HB2 LEU 70 1HB LEU 70 2.221 0.232 -3.442 545 HB3 LEU 70 2HB LEU 70 2.769 1.565 -2.446 546 HG LEU 70 HG LEU 70 0.287 1.367 -2.525 547 HD11 LEU 70 1HD1 LEU 70 0.608 3.977 -3.904 548 HD12 LEU 70 2HD1 LEU 70 1.796 3.711 -2.633 549 HD13 LEU 70 3HD1 LEU 70 0.086 3.615 -2.260 550 HD21 LEU 70 3HD2 LEU 70 0.371 0.586 -5.020 551 HD22 LEU 70 1HD2 LEU 70 0.370 2.306 -5.403 552 HD23 LEU 70 2HD2 LEU 70 -0.975 1.597 -4.514 553 H VAL 71 H VAL 71 4.285 3.860 -3.792 554 HA VAL 71 HA VAL 71 6.919 2.522 -3.583 555 HB VAL 71 HB VAL 71 7.949 4.640 -4.248 556 HG11 VAL 71 1HG1 VAL 71 7.394 4.522 -6.602 557 HG12 VAL 71 2HG1 VAL 71 5.819 3.817 -6.241 558 HG13 VAL 71 3HG1 VAL 71 7.287 2.893 -5.940 559 HG21 VAL 71 3HG2 VAL 71 5.084 5.555 -4.582 560 HG22 VAL 71 1HG2 VAL 71 6.467 6.423 -5.242 561 HG23 VAL 71 2HG2 VAL 71 6.290 6.249 -3.499 562 H LEU 72 H LEU 72 7.956 2.748 -1.723 563 HA LEU 72 HA LEU 72 6.625 3.827 0.548 564 HB2 LEU 72 1HB LEU 72 9.350 2.659 0.015 565 HB3 LEU 72 2HB LEU 72 8.962 3.314 1.599 566 HG LEU 72 HG LEU 72 8.600 0.857 1.404 567 HD11 LEU 72 1HD1 LEU 72 5.845 2.013 1.836 568 HD12 LEU 72 2HD1 LEU 72 7.144 2.543 2.897 569 HD13 LEU 72 3HD1 LEU 72 6.730 0.838 2.797 570 HD21 LEU 72 3HD2 LEU 72 7.801 1.013 -1.025 571 HD22 LEU 72 1HD2 LEU 72 6.235 1.519 -0.374 572 HD23 LEU 72 2HD2 LEU 72 6.886 -0.067 0.022 573 H LYS 73 H LYS 73 6.692 5.823 1.416 574 HA LYS 73 HA LYS 73 8.956 7.563 0.751 575 HB2 LYS 73 1HB LYS 73 7.196 9.441 0.598 576 HB3 LYS 73 2HB LYS 73 7.343 8.335 -0.769 577 HG2 LYS 73 1HG LYS 73 5.398 7.099 -0.117 578 HG3 LYS 73 2HG LYS 73 5.346 7.874 1.467 579 HD2 LYS 73 1HD LYS 73 3.650 8.830 -0.068 580 HD3 LYS 73 2HD LYS 73 4.840 10.035 0.423 581 HE2 LYS 73 1HE LYS 73 5.937 9.977 -1.693 582 HE3 LYS 73 2HE LYS 73 5.167 8.454 -2.144 583 HZ1 LYS 73 3HZ LYS 73 3.911 11.119 -1.895 584 HZ2 LYS 73 1HZ LYS 73 3.019 9.683 -2.038 585 HZ3 LYS 73 2HZ LYS 73 4.063 10.163 -3.291 586 HA PRO 74 HA PRO 74 8.689 8.203 5.180 587 HB2 PRO 74 1HB PRO 74 10.419 10.271 5.494 588 HB3 PRO 74 2HB PRO 74 10.981 8.661 5.021 589 HG2 PRO 74 1HG PRO 74 10.421 11.045 3.277 590 HG3 PRO 74 2HG PRO 74 11.827 9.954 3.262 591 HD2 PRO 74 1HD PRO 74 9.756 9.640 1.510 592 HD3 PRO 74 2HD PRO 74 10.674 8.260 2.148 593 H PHE 75 H PHE 75 8.142 9.865 6.818 594 HA PHE 75 HA PHE 75 6.041 11.646 5.791 595 HB2 PHE 75 1HB PHE 75 6.579 10.199 8.365 596 HB3 PHE 75 2HB PHE 75 5.694 11.711 8.487 597 HD1 PHE 75 HD2 PHE 75 5.778 8.482 6.645 598 HD2 PHE 75 HD1 PHE 75 3.341 11.742 8.026 599 HE1 PHE 75 HE2 PHE 75 3.745 7.318 5.843 600 HE2 PHE 75 HE1 PHE 75 1.310 10.562 7.232 601 HZ PHE 75 HZ PHE 75 1.514 8.349 6.139 602 HA PRO 76 HA PRO 76 8.364 15.340 6.560 603 HB2 PRO 76 1HB PRO 76 6.391 17.067 7.488 604 HB3 PRO 76 2HB PRO 76 6.576 16.606 5.784 605 HG2 PRO 76 1HG PRO 76 4.696 15.497 7.845 606 HG3 PRO 76 2HG PRO 76 4.384 15.899 6.143 607 HD2 PRO 76 1HD PRO 76 4.796 13.334 6.937 608 HD3 PRO 76 2HD PRO 76 5.365 13.917 5.357 609 H HIS 77 H HIS 77 5.964 15.449 9.192 610 HA HIS 77 HA HIS 77 7.865 16.344 11.111 611 HB2 HIS 77 1HB HIS 77 6.050 16.031 12.738 612 HB3 HIS 77 2HB HIS 77 5.472 16.863 11.296 613 HD1 HIS 77 HD1 HIS 77 3.269 15.543 12.750 614 HD2 HIS 77 HD2 HIS 77 5.628 13.410 10.071 615 HE1 HIS 77 HE1 HIS 77 1.914 13.516 12.056 616 HE2 HIS 77 HE2 HIS 77 3.342 12.209 10.414 617 H HIS 78 H HIS 78 7.952 13.511 9.674 618 HA HIS 78 HA HIS 78 9.257 12.154 11.872 619 HB2 HIS 78 1HB HIS 78 6.729 11.069 10.607 620 HB3 HIS 78 2HB HIS 78 7.848 10.102 11.565 621 HD1 HIS 78 HD1 HIS 78 4.849 11.978 11.975 622 HD2 HIS 78 HD2 HIS 78 8.315 11.532 14.246 623 HE1 HIS 78 HE1 HIS 78 4.264 12.710 14.329 624 HE2 HIS 78 HE2 HIS 78 6.368 12.444 15.725 625 HA PRO 79 HA PRO 79 10.812 11.437 7.546 626 HB2 PRO 79 1HB PRO 79 13.410 12.255 7.915 627 HB3 PRO 79 2HB PRO 79 12.095 13.381 7.514 628 HG2 PRO 79 1HG PRO 79 13.379 12.832 10.156 629 HG3 PRO 79 2HG PRO 79 12.780 14.364 9.496 630 HD2 PRO 79 1HD PRO 79 11.393 12.810 11.344 631 HD3 PRO 79 2HD PRO 79 10.615 13.984 10.268 632 H ASN 80 H ASN 80 11.664 10.267 10.712 633 HA ASN 80 HA ASN 80 13.547 8.279 9.705 634 HB2 ASN 80 1HB ASN 80 12.431 9.009 12.423 635 HB3 ASN 80 2HB ASN 80 13.531 7.657 12.171 636 HD21 ASN 80 2HD2 ASN 80 14.215 9.960 13.796 637 HD22 ASN 80 1HD2 ASN 80 15.497 10.765 13.027 638 H GLN 81 H GLN 81 10.361 8.507 9.315 639 HA GLN 81 HA GLN 81 9.861 5.622 9.805 640 HB2 GLN 81 1HB GLN 81 8.199 8.002 10.607 641 HB3 GLN 81 2HB GLN 81 7.362 6.532 10.137 642 HG2 GLN 81 1HG GLN 81 7.706 6.562 12.557 643 HG3 GLN 81 2HG GLN 81 8.664 5.274 11.832 644 HE21 GLN 81 2HE2 GLN 81 10.592 5.190 13.015 645 HE22 GLN 81 1HE2 GLN 81 11.541 6.542 13.411 646 H ILE 82 H ILE 82 8.583 4.635 8.324 647 HA ILE 82 HA ILE 82 8.281 6.049 5.751 648 HB ILE 82 HB ILE 82 8.095 3.096 5.682 649 HG12 ILE 82 1HG1 ILE 82 9.701 3.226 7.525 650 HG13 ILE 82 2HG1 ILE 82 10.506 2.691 6.059 651 HG21 ILE 82 1HG2 ILE 82 9.892 5.090 4.293 652 HG22 ILE 82 2HG2 ILE 82 8.366 4.462 3.673 653 HG23 ILE 82 3HG2 ILE 82 9.747 3.381 3.875 654 HD11 ILE 82 3HD1 ILE 82 11.107 4.979 7.710 655 HD12 ILE 82 1HD1 ILE 82 10.716 5.543 6.086 656 HD13 ILE 82 2HD1 ILE 82 11.999 4.361 6.323 657 H GLY 83 H GLY 83 6.574 4.593 4.378 658 HA2 GLY 83 1HA GLY 83 4.377 3.390 5.150 659 HA3 GLY 83 2HA GLY 83 4.014 4.980 5.804 660 H LEU 84 H LEU 84 2.512 3.623 3.756 661 HA LEU 84 HA LEU 84 3.175 4.483 1.145 662 HB2 LEU 84 1HB LEU 84 0.704 3.521 2.557 663 HB3 LEU 84 2HB LEU 84 0.503 4.226 0.953 664 HG LEU 84 HG LEU 84 2.144 2.596 0.060 665 HD11 LEU 84 1HD1 LEU 84 2.107 1.598 2.924 666 HD12 LEU 84 2HD1 LEU 84 3.493 2.207 2.023 667 HD13 LEU 84 3HD1 LEU 84 2.752 0.682 1.567 668 HD21 LEU 84 3HD2 LEU 84 0.685 0.597 0.308 669 HD22 LEU 84 1HD2 LEU 84 -0.260 2.057 0.022 670 HD23 LEU 84 2HD2 LEU 84 -0.147 1.383 1.647 671 H GLY 85 H GLY 85 0.142 5.696 2.575 672 HA2 GLY 85 1HA GLY 85 0.852 8.368 2.942 673 HA3 GLY 85 2HA GLY 85 0.375 8.161 1.259 674 H VAL 86 H VAL 86 -1.145 5.955 3.382 675 HA VAL 86 HA VAL 86 -3.708 7.476 3.271 676 HB VAL 86 HB VAL 86 -3.315 4.501 3.683 677 HG11 VAL 86 1HG1 VAL 86 -5.488 5.408 4.416 678 HG12 VAL 86 2HG1 VAL 86 -5.679 4.433 2.974 679 HG13 VAL 86 3HG1 VAL 86 -5.694 6.190 2.849 680 HG21 VAL 86 3HG2 VAL 86 -2.390 5.100 1.505 681 HG22 VAL 86 1HG2 VAL 86 -3.808 6.088 1.144 682 HG23 VAL 86 2HG2 VAL 86 -3.960 4.334 1.265 683 H THR 87 H THR 87 -5.130 7.344 5.147 684 HA THR 87 HA THR 87 -3.722 7.661 7.604 685 HB THR 87 HB THR 87 -6.695 7.537 7.089 686 HG1 THR 87 HG1 THR 87 -6.213 9.237 5.937 687 HG21 THR 87 3HG2 THR 87 -6.140 7.400 9.453 688 HG22 THR 87 1HG2 THR 87 -6.753 9.017 9.107 689 HG23 THR 87 2HG2 THR 87 -5.020 8.755 9.304 Start of MODEL 3 1 H1 MET 1 1H MET 1 -21.211 -10.108 12.628 2 H2 MET 1 2H MET 1 -19.896 -10.862 11.861 3 H3 MET 1 3H MET 1 -20.926 -9.841 10.976 4 HA MET 1 HA MET 1 -20.111 -7.924 11.936 5 HB2 MET 1 1HB MET 1 -18.385 -8.353 13.978 6 HB3 MET 1 2HB MET 1 -20.116 -8.215 14.253 7 HG2 MET 1 1HG MET 1 -19.044 -10.207 15.367 8 HG3 MET 1 2HG MET 1 -20.390 -10.604 14.301 9 HE1 MET 1 3HE MET 1 -17.831 -13.559 14.017 10 HE2 MET 1 1HE MET 1 -19.301 -12.943 14.793 11 HE3 MET 1 2HE MET 1 -17.714 -12.456 15.386 12 H ASN 2 H ASN 2 -19.266 -8.677 9.725 13 HA ASN 2 HA ASN 2 -17.517 -8.903 8.252 14 HB2 ASN 2 1HB ASN 2 -16.026 -7.674 10.584 15 HB3 ASN 2 2HB ASN 2 -15.411 -7.789 8.938 16 HD21 ASN 2 2HD2 ASN 2 -16.645 -5.522 10.898 17 HD22 ASN 2 1HD2 ASN 2 -17.559 -4.610 9.796 18 H GLU 3 H GLU 3 -17.220 -11.037 7.911 19 HA GLU 3 HA GLU 3 -16.077 -12.840 9.818 20 HB2 GLU 3 1HB GLU 3 -15.899 -14.349 7.699 21 HB3 GLU 3 2HB GLU 3 -17.507 -13.870 8.240 22 HG2 GLU 3 1HG GLU 3 -17.666 -12.156 6.566 23 HG3 GLU 3 2HG GLU 3 -15.966 -12.316 6.138 24 H ALA 4 H ALA 4 -14.116 -11.856 10.449 25 HA ALA 4 HA ALA 4 -11.859 -11.446 10.394 26 HB1 ALA 4 3HB ALA 4 -11.851 -13.542 8.213 27 HB2 ALA 4 1HB ALA 4 -11.931 -13.909 9.937 28 HB3 ALA 4 2HB ALA 4 -10.511 -13.100 9.272 29 H LYS 5 H LYS 5 -10.035 -10.660 9.101 30 HA LYS 5 HA LYS 5 -9.129 -9.145 7.624 31 HB2 LYS 5 1HB LYS 5 -11.120 -10.345 5.680 32 HB3 LYS 5 2HB LYS 5 -9.671 -9.433 5.268 33 HG2 LYS 5 1HG LYS 5 -8.270 -11.154 6.366 34 HG3 LYS 5 2HG LYS 5 -9.717 -12.080 6.759 35 HD2 LYS 5 1HD LYS 5 -10.236 -12.187 4.300 36 HD3 LYS 5 2HD LYS 5 -8.675 -11.428 3.986 37 HE2 LYS 5 1HE LYS 5 -9.109 -14.070 5.417 38 HE3 LYS 5 2HE LYS 5 -8.492 -13.871 3.778 39 HZ1 LYS 5 3HZ LYS 5 -6.510 -13.893 4.782 40 HZ2 LYS 5 1HZ LYS 5 -7.148 -13.523 6.309 41 HZ3 LYS 5 2HZ LYS 5 -6.855 -12.278 5.188 42 H GLY 6 H GLY 6 -10.324 -7.773 5.461 43 HA2 GLY 6 1HA GLY 6 -12.163 -6.295 4.977 44 HA3 GLY 6 2HA GLY 6 -12.508 -6.187 6.699 45 H VAL 7 H VAL 7 -9.638 -5.634 4.577 46 HA VAL 7 HA VAL 7 -8.982 -3.221 6.164 47 HB VAL 7 HB VAL 7 -7.403 -4.579 3.957 48 HG11 VAL 7 1HG1 VAL 7 -5.529 -3.285 4.986 49 HG12 VAL 7 2HG1 VAL 7 -6.692 -2.506 6.058 50 HG13 VAL 7 3HG1 VAL 7 -6.785 -2.244 4.317 51 HG21 VAL 7 3HG2 VAL 7 -7.265 -4.863 6.978 52 HG22 VAL 7 1HG2 VAL 7 -6.045 -5.487 5.866 53 HG23 VAL 7 2HG2 VAL 7 -7.688 -6.128 5.825 54 H TYR 8 H TYR 8 -9.438 -1.242 5.365 55 HA TYR 8 HA TYR 8 -10.136 -0.968 2.474 56 HB2 TYR 8 1HB TYR 8 -11.479 0.239 4.913 57 HB3 TYR 8 2HB TYR 8 -11.810 0.742 3.255 58 HD1 TYR 8 HD1 TYR 8 -11.693 -2.297 5.437 59 HD2 TYR 8 HD2 TYR 8 -13.470 -0.433 1.998 60 HE1 TYR 8 HE1 TYR 8 -13.249 -4.216 5.212 61 HE2 TYR 8 HE2 TYR 8 -15.038 -2.339 1.781 62 HH TYR 8 HH TYR 8 -15.207 -4.662 2.427 63 H VAL 9 H VAL 9 -9.071 0.605 1.412 64 HA VAL 9 HA VAL 9 -6.894 1.956 2.283 65 HB VAL 9 HB VAL 9 -8.937 2.986 0.286 66 HG11 VAL 9 1HG1 VAL 9 -6.001 3.587 0.749 67 HG12 VAL 9 2HG1 VAL 9 -7.339 4.731 0.624 68 HG13 VAL 9 3HG1 VAL 9 -6.780 3.874 -0.808 69 HG21 VAL 9 3HG2 VAL 9 -8.333 0.702 -0.250 70 HG22 VAL 9 1HG2 VAL 9 -6.626 1.036 0.018 71 HG23 VAL 9 2HG2 VAL 9 -7.467 1.761 -1.344 72 H MET 10 H MET 10 -6.716 4.487 2.461 73 HA MET 10 HA MET 10 -8.504 5.287 4.646 74 HB2 MET 10 1HB MET 10 -5.961 5.306 4.833 75 HB3 MET 10 2HB MET 10 -5.990 6.650 3.695 76 HG2 MET 10 1HG MET 10 -5.925 7.552 5.883 77 HG3 MET 10 2HG MET 10 -7.531 7.838 5.237 78 HE1 MET 10 3HE MET 10 -5.651 6.748 8.316 79 HE2 MET 10 1HE MET 10 -5.327 5.407 7.205 80 HE3 MET 10 2HE MET 10 -6.247 5.132 8.682 81 H SER 11 H SER 11 -6.838 6.999 1.939 82 HA SER 11 HA SER 11 -9.407 8.195 1.112 83 HB2 SER 11 1HB SER 11 -7.159 9.905 2.204 84 HB3 SER 11 2HB SER 11 -8.637 10.502 1.453 85 HG SER 11 HG SER 11 -9.772 9.330 3.129 86 H VAL 12 H VAL 12 -8.957 9.897 -0.706 87 HA VAL 12 HA VAL 12 -6.736 8.916 -2.421 88 HB VAL 12 HB VAL 12 -9.373 10.104 -3.313 89 HG11 VAL 12 1HG1 VAL 12 -7.471 10.252 -4.896 90 HG12 VAL 12 2HG1 VAL 12 -8.723 9.162 -5.484 91 HG13 VAL 12 3HG1 VAL 12 -7.247 8.505 -4.776 92 HG21 VAL 12 3HG2 VAL 12 -9.826 8.007 -2.139 93 HG22 VAL 12 1HG2 VAL 12 -8.558 7.200 -3.062 94 HG23 VAL 12 2HG2 VAL 12 -10.017 7.776 -3.874 95 H LEU 13 H LEU 13 -5.231 10.498 -2.025 96 HA LEU 13 HA LEU 13 -6.059 13.303 -2.107 97 HB2 LEU 13 1HB LEU 13 -3.769 11.830 -0.944 98 HB3 LEU 13 2HB LEU 13 -3.457 13.471 -1.482 99 HG LEU 13 HG LEU 13 -5.355 14.280 -0.112 100 HD11 LEU 13 1HD1 LEU 13 -6.815 12.380 -0.081 101 HD12 LEU 13 2HD1 LEU 13 -6.290 12.606 1.581 102 HD13 LEU 13 3HD1 LEU 13 -5.566 11.337 0.594 103 HD21 LEU 13 3HD2 LEU 13 -3.140 14.292 0.888 104 HD22 LEU 13 1HD2 LEU 13 -3.307 12.602 1.362 105 HD23 LEU 13 2HD2 LEU 13 -4.322 13.832 2.113 106 HA PRO 14 HA PRO 14 -4.685 13.334 -6.468 107 HB2 PRO 14 1HB PRO 14 -4.917 16.302 -5.967 108 HB3 PRO 14 2HB PRO 14 -5.574 15.336 -7.305 109 HG2 PRO 14 1HG PRO 14 -7.161 16.209 -5.364 110 HG3 PRO 14 2HG PRO 14 -7.370 14.579 -6.038 111 HD2 PRO 14 1HD PRO 14 -6.123 15.385 -3.417 112 HD3 PRO 14 2HD PRO 14 -7.159 13.988 -3.819 113 H ASN 15 H ASN 15 -2.654 12.926 -4.631 114 HA ASN 15 HA ASN 15 -0.413 14.169 -5.847 115 HB2 ASN 15 1HB ASN 15 -1.176 16.028 -4.355 116 HB3 ASN 15 2HB ASN 15 -0.948 14.957 -2.971 117 HD21 ASN 15 2HD2 ASN 15 0.920 15.817 -1.978 118 HD22 ASN 15 1HD2 ASN 15 2.398 16.048 -2.783 119 H MET 16 H MET 16 -1.783 11.616 -4.425 120 HA MET 16 HA MET 16 0.655 10.657 -3.056 121 HB2 MET 16 1HB MET 16 -2.284 10.003 -2.805 122 HB3 MET 16 2HB MET 16 -1.094 8.853 -2.229 123 HG2 MET 16 1HG MET 16 -1.164 11.767 -1.384 124 HG3 MET 16 2HG MET 16 -1.907 10.464 -0.465 125 HE1 MET 16 3HE MET 16 1.244 11.606 1.523 126 HE2 MET 16 1HE MET 16 -0.383 10.958 1.780 127 HE3 MET 16 2HE MET 16 -0.145 12.372 0.757 128 HA PRO 17 HA PRO 17 1.588 7.809 -6.242 129 HB2 PRO 17 1HB PRO 17 2.209 5.481 -4.801 130 HB3 PRO 17 2HB PRO 17 3.298 6.859 -5.038 131 HG2 PRO 17 1HG PRO 17 1.565 6.200 -2.684 132 HG3 PRO 17 2HG PRO 17 3.215 6.851 -2.715 133 HD2 PRO 17 1HD PRO 17 1.107 8.450 -2.240 134 HD3 PRO 17 2HD PRO 17 2.489 9.030 -3.160 135 H ALA 18 H ALA 18 -0.942 6.897 -3.981 136 HA ALA 18 HA ALA 18 -1.905 4.689 -5.653 137 HB1 ALA 18 3HB ALA 18 -2.200 5.614 -2.884 138 HB2 ALA 18 1HB ALA 18 -2.522 4.014 -3.549 139 HB3 ALA 18 2HB ALA 18 -3.777 5.251 -3.584 140 H ALA 19 H ALA 19 -2.266 7.979 -5.465 141 HA ALA 19 HA ALA 19 -4.994 8.393 -6.146 142 HB1 ALA 19 3HB ALA 19 -4.326 10.576 -7.066 143 HB2 ALA 19 1HB ALA 19 -2.630 10.106 -6.947 144 HB3 ALA 19 2HB ALA 19 -3.602 10.286 -5.486 145 H GLY 20 H GLY 20 -6.029 7.506 -7.814 146 HA2 GLY 20 1HA GLY 20 -6.531 7.393 -10.133 147 HA3 GLY 20 2HA GLY 20 -4.824 7.593 -10.513 148 H ARG 21 H ARG 21 -4.566 5.507 -8.120 149 HA ARG 21 HA ARG 21 -4.857 3.082 -9.840 150 HB2 ARG 21 1HB ARG 21 -2.906 3.700 -7.606 151 HB3 ARG 21 2HB ARG 21 -3.037 2.148 -8.430 152 HG2 ARG 21 1HG ARG 21 -2.518 3.233 -10.578 153 HG3 ARG 21 2HG ARG 21 -2.392 4.793 -9.762 154 HD2 ARG 21 1HD ARG 21 -0.572 3.888 -8.345 155 HD3 ARG 21 2HD ARG 21 -0.670 2.355 -9.212 156 HE ARG 21 HE ARG 21 0.508 4.843 -10.178 157 HH11 ARG 21 1HH2 ARG 21 -0.790 1.728 -10.969 158 HH12 ARG 21 2HH2 ARG 21 0.056 1.608 -12.475 159 HH21 ARG 21 1HH1 ARG 21 1.620 4.686 -12.146 160 HH22 ARG 21 2HH1 ARG 21 1.423 3.285 -13.141 161 H LEU 22 H LEU 22 -5.258 4.447 -6.653 162 HA LEU 22 HA LEU 22 -7.057 2.216 -5.894 163 HB2 LEU 22 1HB LEU 22 -4.683 3.233 -4.495 164 HB3 LEU 22 2HB LEU 22 -6.094 3.307 -3.454 165 HG LEU 22 HG LEU 22 -4.952 1.171 -3.182 166 HD11 LEU 22 1HD1 LEU 22 -6.918 0.059 -2.929 167 HD12 LEU 22 2HD1 LEU 22 -7.275 0.087 -4.652 168 HD13 LEU 22 3HD1 LEU 22 -7.699 1.464 -3.649 169 HD21 LEU 22 3HD2 LEU 22 -4.438 -0.317 -4.930 170 HD22 LEU 22 1HD2 LEU 22 -4.072 1.247 -5.647 171 HD23 LEU 22 2HD2 LEU 22 -5.578 0.428 -6.038 172 H GLU 23 H GLU 23 -8.853 2.638 -4.653 173 HA GLU 23 HA GLU 23 -9.593 5.474 -4.308 174 HB2 GLU 23 1HB GLU 23 -11.053 3.378 -5.925 175 HB3 GLU 23 2HB GLU 23 -11.891 4.780 -5.264 176 HG2 GLU 23 1HG GLU 23 -9.423 4.985 -7.021 177 HG3 GLU 23 2HG GLU 23 -11.060 5.047 -7.652 178 H ALA 24 H ALA 24 -11.266 5.819 -2.886 179 HA ALA 24 HA ALA 24 -11.231 4.259 -0.538 180 HB1 ALA 24 3HB ALA 24 -11.819 6.678 -0.588 181 HB2 ALA 24 1HB ALA 24 -13.039 5.707 0.241 182 HB3 ALA 24 2HB ALA 24 -13.329 6.267 -1.406 183 H GLY 25 H GLY 25 -12.402 2.497 0.061 184 HA2 GLY 25 1HA GLY 25 -14.523 1.314 0.115 185 HA3 GLY 25 2HA GLY 25 -14.739 1.687 -1.592 186 H ASP 26 H ASP 26 -11.766 1.209 -2.019 187 HA ASP 26 HA ASP 26 -11.970 -1.644 -2.591 188 HB2 ASP 26 1HB ASP 26 -9.716 0.354 -3.004 189 HB3 ASP 26 2HB ASP 26 -9.643 -1.304 -3.504 190 H ARG 27 H ARG 27 -10.546 -3.258 -1.813 191 HA ARG 27 HA ARG 27 -9.210 -2.662 0.770 192 HB2 ARG 27 1HB ARG 27 -9.794 -5.001 1.437 193 HB3 ARG 27 2HB ARG 27 -11.191 -3.940 1.279 194 HG2 ARG 27 1HG ARG 27 -11.789 -4.896 -0.836 195 HG3 ARG 27 2HG ARG 27 -10.253 -5.753 -0.963 196 HD2 ARG 27 1HD ARG 27 -10.824 -7.205 0.880 197 HD3 ARG 27 2HD ARG 27 -12.274 -6.275 1.248 198 HE ARG 27 HE ARG 27 -12.555 -7.078 -1.394 199 HH11 ARG 27 1HH2 ARG 27 -12.059 -8.584 1.678 200 HH12 ARG 27 2HH2 ARG 27 -12.908 -10.033 1.259 201 HH21 ARG 27 1HH1 ARG 27 -13.663 -8.968 -1.955 202 HH22 ARG 27 2HH1 ARG 27 -13.820 -10.251 -0.805 203 H ILE 28 H ILE 28 -7.533 -4.276 1.353 204 HA ILE 28 HA ILE 28 -5.909 -4.873 -1.061 205 HB ILE 28 HB ILE 28 -4.982 -4.965 1.824 206 HG12 ILE 28 1HG1 ILE 28 -5.912 -2.750 1.500 207 HG13 ILE 28 2HG1 ILE 28 -4.157 -2.634 1.440 208 HG21 ILE 28 1HG2 ILE 28 -2.791 -4.527 0.759 209 HG22 ILE 28 2HG2 ILE 28 -3.563 -4.536 -0.828 210 HG23 ILE 28 3HG2 ILE 28 -3.521 -6.009 0.142 211 HD11 ILE 28 3HD1 ILE 28 -4.913 -1.308 -0.377 212 HD12 ILE 28 1HD1 ILE 28 -6.123 -2.494 -0.852 213 HD13 ILE 28 2HD1 ILE 28 -4.413 -2.816 -1.133 214 H ALA 29 H ALA 29 -5.779 -6.855 -1.778 215 HA ALA 29 HA ALA 29 -6.623 -9.124 -0.049 216 HB1 ALA 29 3HB ALA 29 -6.296 -8.817 -3.041 217 HB2 ALA 29 1HB ALA 29 -7.789 -9.052 -2.134 218 HB3 ALA 29 2HB ALA 29 -6.622 -10.367 -2.259 219 H ALA 30 H ALA 30 -3.862 -7.713 -1.562 220 HA ALA 30 HA ALA 30 -2.054 -9.419 -0.186 221 HB1 ALA 30 3HB ALA 30 -2.401 -9.982 -3.129 222 HB2 ALA 30 1HB ALA 30 -2.639 -11.105 -1.791 223 HB3 ALA 30 2HB ALA 30 -1.017 -10.524 -2.175 224 H ILE 31 H ILE 31 0.158 -8.981 -0.614 225 HA ILE 31 HA ILE 31 0.742 -6.555 -2.207 226 HB ILE 31 HB ILE 31 1.571 -6.900 0.684 227 HG12 ILE 31 1HG1 ILE 31 -0.110 -4.786 -0.683 228 HG13 ILE 31 2HG1 ILE 31 -0.768 -6.106 0.275 229 HG21 ILE 31 1HG2 ILE 31 2.595 -4.596 0.297 230 HG22 ILE 31 2HG2 ILE 31 2.337 -4.853 -1.421 231 HG23 ILE 31 3HG2 ILE 31 3.424 -5.911 -0.527 232 HD11 ILE 31 3HD1 ILE 31 -0.653 -4.224 1.752 233 HD12 ILE 31 1HD1 ILE 31 0.980 -3.830 1.225 234 HD13 ILE 31 2HD1 ILE 31 0.692 -5.269 2.195 235 H ASP 32 H ASP 32 2.343 -6.928 -3.522 236 HA ASP 32 HA ASP 32 4.142 -7.933 -4.528 237 HB2 ASP 32 1HB ASP 32 5.178 -6.625 -2.658 238 HB3 ASP 32 2HB ASP 32 5.190 -8.099 -1.695 239 H GLY 33 H GLY 33 1.943 -9.678 -3.404 240 HA2 GLY 33 1HA GLY 33 1.667 -11.977 -3.956 241 HA3 GLY 33 2HA GLY 33 3.378 -12.255 -3.656 242 H GLN 34 H GLN 34 2.556 -10.353 -1.183 243 HA GLN 34 HA GLN 34 2.282 -12.605 0.628 244 HB2 GLN 34 1HB GLN 34 2.567 -9.687 1.314 245 HB3 GLN 34 2HB GLN 34 2.778 -11.059 2.405 246 HG2 GLN 34 1HG GLN 34 4.458 -10.502 -0.061 247 HG3 GLN 34 2HG GLN 34 4.958 -10.207 1.602 248 HE21 GLN 34 2HE2 GLN 34 5.630 -12.317 -0.737 249 HE22 GLN 34 1HE2 GLN 34 5.770 -13.760 0.146 250 HA PRO 35 HA PRO 35 -2.168 -11.709 0.869 251 HB2 PRO 35 1HB PRO 35 -2.928 -13.748 2.532 252 HB3 PRO 35 2HB PRO 35 -2.506 -14.023 0.830 253 HG2 PRO 35 1HG PRO 35 -0.833 -14.444 3.283 254 HG3 PRO 35 2HG PRO 35 -1.002 -15.475 1.849 255 HD2 PRO 35 1HD PRO 35 1.119 -13.760 2.226 256 HD3 PRO 35 2HD PRO 35 0.533 -14.231 0.609 257 H ILE 36 H ILE 36 -3.205 -10.280 2.139 258 HA ILE 36 HA ILE 36 -2.089 -9.660 4.805 259 HB ILE 36 HB ILE 36 -4.073 -8.066 3.182 260 HG12 ILE 36 1HG1 ILE 36 -2.103 -8.287 1.828 261 HG13 ILE 36 2HG1 ILE 36 -2.066 -6.689 2.540 262 HG21 ILE 36 1HG2 ILE 36 -3.977 -7.481 5.566 263 HG22 ILE 36 2HG2 ILE 36 -3.249 -6.204 4.601 264 HG23 ILE 36 3HG2 ILE 36 -2.222 -7.340 5.477 265 HD11 ILE 36 3HD1 ILE 36 0.132 -7.452 2.860 266 HD12 ILE 36 1HD1 ILE 36 -0.382 -9.096 3.196 267 HD13 ILE 36 2HD1 ILE 36 -0.610 -7.841 4.407 268 H ASN 37 H ASN 37 -2.961 -10.639 6.361 269 HA ASN 37 HA ASN 37 -5.910 -11.026 6.548 270 HB2 ASN 37 1HB ASN 37 -5.407 -12.778 8.222 271 HB3 ASN 37 2HB ASN 37 -4.718 -13.131 6.641 272 HD21 ASN 37 2HD2 ASN 37 -3.474 -14.511 8.559 273 HD22 ASN 37 1HD2 ASN 37 -1.996 -13.814 9.012 274 H THR 38 H THR 38 -3.266 -9.334 7.914 275 HA THR 38 HA THR 38 -5.040 -8.230 10.015 276 HB THR 38 HB THR 38 -3.335 -8.396 11.708 277 HG1 THR 38 HG1 THR 38 -1.731 -9.898 9.961 278 HG21 THR 38 3HG2 THR 38 -3.557 -11.069 10.315 279 HG22 THR 38 1HG2 THR 38 -4.812 -10.373 11.339 280 HG23 THR 38 2HG2 THR 38 -3.243 -10.795 12.027 281 H SER 39 H SER 39 -4.422 -6.169 10.770 282 HA SER 39 HA SER 39 -3.295 -4.468 8.771 283 HB2 SER 39 1HB SER 39 -5.046 -3.756 10.412 284 HB3 SER 39 2HB SER 39 -3.835 -3.849 11.688 285 HG SER 39 HG SER 39 -4.114 -2.036 9.590 286 H GLU 40 H GLU 40 -2.085 -6.192 11.523 287 HA GLU 40 HA GLU 40 0.306 -4.714 11.964 288 HB2 GLU 40 1HB GLU 40 -0.439 -7.593 12.565 289 HB3 GLU 40 2HB GLU 40 1.065 -6.841 13.101 290 HG2 GLU 40 1HG GLU 40 -0.501 -6.663 14.914 291 HG3 GLU 40 2HG GLU 40 -0.324 -5.053 14.225 292 H GLN 41 H GLN 41 -0.576 -7.302 9.751 293 HA GLN 41 HA GLN 41 2.015 -8.093 9.001 294 HB2 GLN 41 1HB GLN 41 -0.142 -9.258 8.403 295 HB3 GLN 41 2HB GLN 41 -0.430 -7.994 7.211 296 HG2 GLN 41 1HG GLN 41 0.593 -9.850 6.063 297 HG3 GLN 41 2HG GLN 41 1.802 -8.578 6.174 298 HE21 GLN 41 2HE2 GLN 41 0.930 -11.796 7.321 299 HE22 GLN 41 1HE2 GLN 41 2.396 -12.105 8.119 300 H ILE 42 H ILE 42 0.063 -5.306 8.147 301 HA ILE 42 HA ILE 42 1.704 -4.483 5.921 302 HB ILE 42 HB ILE 42 -0.332 -2.931 7.544 303 HG12 ILE 42 1HG1 ILE 42 -1.338 -4.947 6.546 304 HG13 ILE 42 2HG1 ILE 42 -1.903 -3.503 5.711 305 HG21 ILE 42 1HG2 ILE 42 -0.457 -1.550 5.452 306 HG22 ILE 42 2HG2 ILE 42 0.932 -2.444 4.836 307 HG23 ILE 42 3HG2 ILE 42 1.097 -1.443 6.277 308 HD11 ILE 42 3HD1 ILE 42 0.116 -4.008 4.071 309 HD12 ILE 42 1HD1 ILE 42 -1.384 -4.908 3.930 310 HD13 ILE 42 2HD1 ILE 42 -0.008 -5.621 4.750 311 H VAL 43 H VAL 43 1.705 -4.042 9.364 312 HA VAL 43 HA VAL 43 3.329 -1.683 9.415 313 HB VAL 43 HB VAL 43 2.852 -3.807 11.517 314 HG11 VAL 43 1HG1 VAL 43 4.081 -1.039 11.655 315 HG12 VAL 43 2HG1 VAL 43 4.841 -2.568 12.096 316 HG13 VAL 43 3HG1 VAL 43 3.526 -1.923 13.075 317 HG21 VAL 43 3HG2 VAL 43 1.568 -1.088 11.116 318 HG22 VAL 43 1HG2 VAL 43 1.169 -2.257 12.373 319 HG23 VAL 43 2HG2 VAL 43 0.814 -2.621 10.687 320 H SER 44 H SER 44 3.958 -5.174 9.707 321 HA SER 44 HA SER 44 6.774 -4.886 10.114 322 HB2 SER 44 1HB SER 44 6.864 -7.297 9.603 323 HB3 SER 44 2HB SER 44 5.602 -6.923 10.772 324 HG SER 44 HG SER 44 5.295 -7.331 7.979 325 H TYR 45 H TYR 45 4.745 -5.490 7.300 326 HA TYR 45 HA TYR 45 6.767 -5.934 5.401 327 HB2 TYR 45 1HB TYR 45 4.350 -6.353 5.046 328 HB3 TYR 45 2HB TYR 45 4.079 -4.615 4.962 329 HD1 TYR 45 HD2 TYR 45 6.220 -7.305 3.465 330 HD2 TYR 45 HD1 TYR 45 4.198 -3.563 2.833 331 HE1 TYR 45 HE2 TYR 45 6.824 -7.383 1.061 332 HE2 TYR 45 HE1 TYR 45 4.795 -3.653 0.437 333 HH TYR 45 HH TYR 45 7.117 -5.759 -0.816 334 H VAL 46 H VAL 46 5.077 -2.865 6.132 335 HA VAL 46 HA VAL 46 6.538 -1.212 4.417 336 HB VAL 46 HB VAL 46 5.242 -0.649 7.103 337 HG11 VAL 46 1HG1 VAL 46 6.589 1.261 5.174 338 HG12 VAL 46 2HG1 VAL 46 6.884 1.085 6.902 339 HG13 VAL 46 3HG1 VAL 46 5.376 1.796 6.337 340 HG21 VAL 46 3HG2 VAL 46 3.475 0.323 5.755 341 HG22 VAL 46 1HG2 VAL 46 3.813 -1.290 5.130 342 HG23 VAL 46 2HG2 VAL 46 4.429 0.128 4.285 343 H ARG 47 H ARG 47 7.310 -2.273 7.718 344 HA ARG 47 HA ARG 47 9.627 -0.688 8.045 345 HB2 ARG 47 1HB ARG 47 8.734 -3.291 9.303 346 HB3 ARG 47 2HB ARG 47 10.232 -2.486 9.773 347 HG2 ARG 47 1HG ARG 47 9.007 -0.480 10.414 348 HG3 ARG 47 2HG ARG 47 7.495 -1.175 9.836 349 HD2 ARG 47 1HD ARG 47 7.637 -1.434 12.263 350 HD3 ARG 47 2HD ARG 47 7.747 -3.012 11.495 351 HE ARG 47 HE ARG 47 9.970 -3.175 12.188 352 HH11 ARG 47 1HH2 ARG 47 8.713 0.013 12.686 353 HH12 ARG 47 2HH2 ARG 47 10.088 0.564 13.582 354 HH21 ARG 47 1HH1 ARG 47 11.779 -2.456 13.348 355 HH22 ARG 47 2HH1 ARG 47 11.827 -0.836 13.956 356 H GLU 48 H GLU 48 9.187 -3.934 6.627 357 HA GLU 48 HA GLU 48 11.876 -4.666 6.397 358 HB2 GLU 48 1HB GLU 48 9.544 -5.221 4.543 359 HB3 GLU 48 2HB GLU 48 11.127 -5.955 4.333 360 HG2 GLU 48 1HG GLU 48 10.985 -7.007 6.514 361 HG3 GLU 48 2HG GLU 48 9.476 -6.181 6.858 362 H LYS 49 H LYS 49 9.862 -2.987 3.982 363 HA LYS 49 HA LYS 49 12.160 -2.325 2.338 364 HB2 LYS 49 1HB LYS 49 9.338 -1.258 2.068 365 HB3 LYS 49 2HB LYS 49 10.563 -1.370 0.839 366 HG2 LYS 49 1HG LYS 49 9.444 -3.833 2.207 367 HG3 LYS 49 2HG LYS 49 8.751 -3.165 0.743 368 HD2 LYS 49 1HD LYS 49 10.917 -3.422 -0.409 369 HD3 LYS 49 2HD LYS 49 11.610 -4.119 1.052 370 HE2 LYS 49 1HE LYS 49 10.009 -5.966 0.969 371 HE3 LYS 49 2HE LYS 49 9.265 -5.269 -0.472 372 HZ1 LYS 49 3HZ LYS 49 10.913 -7.018 -0.968 373 HZ2 LYS 49 1HZ LYS 49 12.120 -6.053 -0.271 374 HZ3 LYS 49 2HZ LYS 49 11.306 -5.520 -1.663 375 H GLN 50 H GLN 50 13.020 -0.309 1.974 376 HA GLN 50 HA GLN 50 12.671 1.614 4.172 377 HB2 GLN 50 1HB GLN 50 14.816 2.527 3.451 378 HB3 GLN 50 2HB GLN 50 14.947 0.787 3.690 379 HG2 GLN 50 1HG GLN 50 14.595 0.477 1.225 380 HG3 GLN 50 2HG GLN 50 14.645 2.230 1.038 381 HE21 GLN 50 2HE2 GLN 50 16.709 3.276 1.143 382 HE22 GLN 50 1HE2 GLN 50 18.165 2.417 1.291 383 H ALA 51 H ALA 51 13.217 3.945 3.410 384 HA ALA 51 HA ALA 51 11.009 4.849 1.882 385 HB1 ALA 51 3HB ALA 51 13.546 6.285 2.707 386 HB2 ALA 51 1HB ALA 51 12.016 6.269 3.586 387 HB3 ALA 51 2HB ALA 51 12.127 7.073 2.019 388 H GLY 52 H GLY 52 10.796 5.349 -0.254 389 HA2 GLY 52 1HA GLY 52 11.525 5.947 -2.419 390 HA3 GLY 52 2HA GLY 52 13.167 5.468 -2.001 391 H ASP 53 H ASP 53 11.322 3.075 -0.802 392 HA ASP 53 HA ASP 53 12.032 1.227 -2.891 393 HB2 ASP 53 1HB ASP 53 11.989 0.592 -0.491 394 HB3 ASP 53 2HB ASP 53 10.241 0.746 -0.494 395 H ARG 54 H ARG 54 10.353 -0.384 -3.662 396 HA ARG 54 HA ARG 54 7.752 0.845 -4.325 397 HB2 ARG 54 1HB ARG 54 8.083 -0.005 -6.704 398 HB3 ARG 54 2HB ARG 54 9.043 1.405 -6.259 399 HG2 ARG 54 1HG ARG 54 10.973 -0.049 -5.783 400 HG3 ARG 54 2HG ARG 54 10.019 -1.465 -6.224 401 HD2 ARG 54 1HD ARG 54 9.724 -0.565 -8.494 402 HD3 ARG 54 2HD ARG 54 10.660 0.861 -8.046 403 HE ARG 54 HE ARG 54 12.618 -0.411 -8.170 404 HH11 ARG 54 1HH2 ARG 54 9.804 -2.432 -8.295 405 HH12 ARG 54 2HH2 ARG 54 10.680 -3.856 -8.743 406 HH21 ARG 54 1HH1 ARG 54 13.768 -2.280 -8.754 407 HH22 ARG 54 2HH1 ARG 54 12.923 -3.770 -9.002 408 H VAL 55 H VAL 55 6.128 -0.513 -4.155 409 HA VAL 55 HA VAL 55 6.626 -3.439 -4.263 410 HB VAL 55 HB VAL 55 5.039 -3.635 -2.271 411 HG11 VAL 55 1HG1 VAL 55 6.845 -3.155 -0.648 412 HG12 VAL 55 2HG1 VAL 55 7.710 -2.259 -1.890 413 HG13 VAL 55 3HG1 VAL 55 7.456 -3.993 -2.073 414 HG21 VAL 55 3HG2 VAL 55 4.884 -1.645 -0.827 415 HG22 VAL 55 1HG2 VAL 55 4.160 -1.320 -2.398 416 HG23 VAL 55 2HG2 VAL 55 5.766 -0.695 -2.016 417 H ARG 56 H ARG 56 5.268 -4.517 -5.334 418 HA ARG 56 HA ARG 56 3.044 -3.316 -6.753 419 HB2 ARG 56 1HB ARG 56 3.755 -6.263 -6.562 420 HB3 ARG 56 2HB ARG 56 2.820 -5.466 -7.824 421 HG2 ARG 56 1HG ARG 56 5.756 -4.960 -7.227 422 HG3 ARG 56 2HG ARG 56 5.142 -5.936 -8.556 423 HD2 ARG 56 1HD ARG 56 3.831 -3.834 -9.283 424 HD3 ARG 56 2HD ARG 56 4.866 -2.954 -8.157 425 HE ARG 56 HE ARG 56 6.632 -3.197 -9.634 426 HH11 ARG 56 1HH2 ARG 56 4.060 -5.378 -10.419 427 HH12 ARG 56 2HH2 ARG 56 4.748 -5.864 -11.931 428 HH21 ARG 56 1HH1 ARG 56 7.534 -3.821 -11.617 429 HH22 ARG 56 2HH1 ARG 56 6.719 -4.980 -12.611 430 H VAL 57 H VAL 57 1.271 -2.832 -5.645 431 HA VAL 57 HA VAL 57 0.352 -4.611 -3.469 432 HB VAL 57 HB VAL 57 -0.375 -1.779 -4.260 433 HG11 VAL 57 1HG1 VAL 57 -1.666 -1.875 -2.020 434 HG12 VAL 57 2HG1 VAL 57 -1.568 -3.629 -2.170 435 HG13 VAL 57 3HG1 VAL 57 -2.410 -2.688 -3.398 436 HG21 VAL 57 3HG2 VAL 57 1.822 -2.165 -3.120 437 HG22 VAL 57 1HG2 VAL 57 0.958 -2.909 -1.774 438 HG23 VAL 57 2HG2 VAL 57 0.707 -1.203 -2.148 439 H THR 58 H THR 58 -1.539 -5.697 -3.530 440 HA THR 58 HA THR 58 -3.089 -5.650 -6.072 441 HB THR 58 HB THR 58 -2.976 -7.805 -3.945 442 HG1 THR 58 HG1 THR 58 -1.016 -7.799 -4.893 443 HG21 THR 58 3HG2 THR 58 -4.146 -7.690 -6.732 444 HG22 THR 58 1HG2 THR 58 -5.026 -7.882 -5.216 445 HG23 THR 58 2HG2 THR 58 -3.970 -9.172 -5.793 446 H PHE 59 H PHE 59 -5.305 -5.301 -6.004 447 HA PHE 59 HA PHE 59 -6.671 -5.211 -3.406 448 HB2 PHE 59 1HB PHE 59 -7.424 -2.964 -3.578 449 HB3 PHE 59 2HB PHE 59 -5.695 -2.884 -3.826 450 HD1 PHE 59 HD2 PHE 59 -4.739 -2.445 -6.076 451 HD2 PHE 59 HD1 PHE 59 -8.994 -2.556 -5.434 452 HE1 PHE 59 HE2 PHE 59 -5.114 -1.363 -8.279 453 HE2 PHE 59 HE1 PHE 59 -9.351 -1.472 -7.620 454 HZ PHE 59 HZ PHE 59 -7.416 -0.870 -9.047 455 H ILE 60 H ILE 60 -8.981 -5.303 -3.626 456 HA ILE 60 HA ILE 60 -9.896 -6.228 -6.279 457 HB ILE 60 HB ILE 60 -10.565 -6.996 -3.458 458 HG12 ILE 60 1HG1 ILE 60 -10.451 -9.253 -4.397 459 HG13 ILE 60 2HG1 ILE 60 -10.378 -8.605 -6.041 460 HG21 ILE 60 1HG2 ILE 60 -12.791 -6.455 -4.173 461 HG22 ILE 60 2HG2 ILE 60 -12.641 -8.196 -4.393 462 HG23 ILE 60 3HG2 ILE 60 -12.513 -7.114 -5.784 463 HD11 ILE 60 3HD1 ILE 60 -8.288 -7.748 -4.037 464 HD12 ILE 60 1HD1 ILE 60 -8.178 -7.876 -5.793 465 HD13 ILE 60 2HD1 ILE 60 -8.157 -9.330 -4.800 466 H ARG 61 H ARG 61 -11.479 -5.355 -7.337 467 HA ARG 61 HA ARG 61 -13.289 -3.436 -6.041 468 HB2 ARG 61 1HB ARG 61 -11.573 -1.996 -6.912 469 HB3 ARG 61 2HB ARG 61 -11.539 -2.852 -8.442 470 HG2 ARG 61 1HG ARG 61 -13.740 -2.046 -9.035 471 HG3 ARG 61 2HG ARG 61 -14.000 -1.408 -7.408 472 HD2 ARG 61 1HD ARG 61 -11.764 -0.435 -9.208 473 HD3 ARG 61 2HD ARG 61 -13.361 0.314 -9.176 474 HE ARG 61 HE ARG 61 -11.314 0.566 -7.161 475 HH11 ARG 61 1HH2 ARG 61 -14.716 0.517 -7.801 476 HH12 ARG 61 2HH2 ARG 61 -15.137 1.447 -6.403 477 HH21 ARG 61 1HH1 ARG 61 -11.865 1.774 -5.308 478 HH22 ARG 61 2HH1 ARG 61 -13.521 2.157 -4.991 479 H ASP 62 H ASP 62 -15.243 -3.960 -6.507 480 HA ASP 62 HA ASP 62 -17.071 -5.065 -7.463 481 HB2 ASP 62 1HB ASP 62 -15.714 -3.824 -9.869 482 HB3 ASP 62 2HB ASP 62 -17.318 -4.553 -9.927 483 H ARG 63 H ARG 63 -15.167 -6.929 -6.879 484 HA ARG 63 HA ARG 63 -14.540 -9.042 -7.304 485 HB2 ARG 63 1HB ARG 63 -16.521 -8.839 -9.577 486 HB3 ARG 63 2HB ARG 63 -15.757 -10.322 -9.039 487 HG2 ARG 63 1HG ARG 63 -16.726 -10.033 -6.803 488 HG3 ARG 63 2HG ARG 63 -17.474 -8.519 -7.317 489 HD2 ARG 63 1HD ARG 63 -18.757 -9.744 -9.043 490 HD3 ARG 63 2HD ARG 63 -18.022 -11.253 -8.504 491 HE ARG 63 HE ARG 63 -19.428 -11.243 -6.644 492 HH11 ARG 63 1HH2 ARG 63 -19.479 -8.195 -8.284 493 HH12 ARG 63 2HH2 ARG 63 -20.803 -7.565 -7.363 494 HH21 ARG 63 1HH1 ARG 63 -21.162 -10.419 -5.427 495 HH22 ARG 63 2HH1 ARG 63 -21.756 -8.825 -5.744 496 H LYS 64 H LYS 64 -13.527 -6.548 -9.011 497 HA LYS 64 HA LYS 64 -11.927 -8.124 -10.961 498 HB2 LYS 64 1HB LYS 64 -12.589 -5.172 -10.944 499 HB3 LYS 64 2HB LYS 64 -11.638 -5.998 -12.160 500 HG2 LYS 64 1HG LYS 64 -13.505 -7.157 -13.033 501 HG3 LYS 64 2HG LYS 64 -14.452 -6.933 -11.570 502 HD2 LYS 64 1HD LYS 64 -15.161 -5.493 -13.542 503 HD3 LYS 64 2HD LYS 64 -14.835 -4.609 -12.054 504 HE2 LYS 64 1HE LYS 64 -12.728 -3.831 -12.854 505 HE3 LYS 64 2HE LYS 64 -12.716 -4.995 -14.183 506 HZ1 LYS 64 3HZ LYS 64 -15.056 -3.512 -14.414 507 HZ2 LYS 64 1HZ LYS 64 -13.702 -3.477 -15.435 508 HZ3 LYS 64 2HZ LYS 64 -13.804 -2.397 -14.126 509 H GLN 65 H GLN 65 -10.071 -8.637 -9.936 510 HA GLN 65 HA GLN 65 -8.770 -6.875 -8.088 511 HB2 GLN 65 1HB GLN 65 -7.133 -8.649 -7.896 512 HB3 GLN 65 2HB GLN 65 -8.756 -9.331 -7.843 513 HG2 GLN 65 1HG GLN 65 -7.649 -10.771 -9.355 514 HG3 GLN 65 2HG GLN 65 -8.474 -9.648 -10.431 515 HE21 GLN 65 2HE2 GLN 65 -7.013 -9.447 -12.169 516 HE22 GLN 65 1HE2 GLN 65 -5.381 -9.013 -11.994 517 H HIS 66 H HIS 66 -6.867 -5.807 -8.320 518 HA HIS 66 HA HIS 66 -5.448 -5.788 -10.871 519 HB2 HIS 66 1HB HIS 66 -6.816 -3.312 -9.801 520 HB3 HIS 66 2HB HIS 66 -5.659 -3.334 -11.126 521 HD1 HIS 66 HD1 HIS 66 -6.408 -4.603 -13.332 522 HD2 HIS 66 HD2 HIS 66 -9.396 -4.089 -10.481 523 HE1 HIS 66 HE1 HIS 66 -8.604 -5.056 -14.513 524 HE2 HIS 66 HE2 HIS 66 -10.441 -4.744 -12.787 525 H GLU 67 H GLU 67 -3.389 -5.048 -10.708 526 HA GLU 67 HA GLU 67 -2.250 -4.764 -8.066 527 HB2 GLU 67 1HB GLU 67 -1.005 -5.051 -10.805 528 HB3 GLU 67 2HB GLU 67 -0.078 -4.898 -9.311 529 HG2 GLU 67 1HG GLU 67 -0.254 -7.246 -9.788 530 HG3 GLU 67 2HG GLU 67 -1.326 -6.915 -8.429 531 H ALA 68 H ALA 68 -1.607 -2.931 -7.221 532 HA ALA 68 HA ALA 68 -1.569 -0.460 -8.846 533 HB1 ALA 68 3HB ALA 68 -2.050 0.717 -6.780 534 HB2 ALA 68 1HB ALA 68 -1.956 -0.784 -5.861 535 HB3 ALA 68 2HB ALA 68 -3.253 -0.548 -7.031 536 H GLU 69 H GLU 69 0.233 0.520 -9.100 537 HA GLU 69 HA GLU 69 2.716 -0.395 -7.899 538 HB2 GLU 69 1HB GLU 69 2.498 0.388 -10.309 539 HB3 GLU 69 2HB GLU 69 2.328 2.029 -9.690 540 HG2 GLU 69 1HG GLU 69 4.655 1.742 -10.221 541 HG3 GLU 69 2HG GLU 69 4.541 1.684 -8.467 542 H LEU 70 H LEU 70 2.914 0.133 -5.803 543 HA LEU 70 HA LEU 70 2.525 2.964 -4.966 544 HB2 LEU 70 1HB LEU 70 2.144 0.334 -3.580 545 HB3 LEU 70 2HB LEU 70 2.607 1.707 -2.593 546 HG LEU 70 HG LEU 70 0.131 1.379 -2.729 547 HD11 LEU 70 1HD1 LEU 70 -0.235 3.622 -2.565 548 HD12 LEU 70 2HD1 LEU 70 0.428 3.976 -4.158 549 HD13 LEU 70 3HD1 LEU 70 1.504 3.780 -2.779 550 HD21 LEU 70 3HD2 LEU 70 0.245 2.311 -5.603 551 HD22 LEU 70 1HD2 LEU 70 -1.074 1.526 -4.743 552 HD23 LEU 70 2HD2 LEU 70 0.336 0.595 -5.220 553 H VAL 71 H VAL 71 4.045 4.023 -3.844 554 HA VAL 71 HA VAL 71 6.722 2.771 -3.613 555 HB VAL 71 HB VAL 71 6.365 4.519 -5.504 556 HG11 VAL 71 1HG1 VAL 71 5.146 6.098 -3.859 557 HG12 VAL 71 2HG1 VAL 71 6.331 6.830 -4.932 558 HG13 VAL 71 3HG1 VAL 71 6.740 6.508 -3.246 559 HG21 VAL 71 3HG2 VAL 71 8.590 3.809 -4.944 560 HG22 VAL 71 1HG2 VAL 71 8.563 4.711 -3.424 561 HG23 VAL 71 2HG2 VAL 71 8.632 5.573 -4.960 562 H LEU 72 H LEU 72 7.685 2.918 -1.700 563 HA LEU 72 HA LEU 72 6.280 3.846 0.553 564 HB2 LEU 72 1HB LEU 72 9.106 2.932 0.019 565 HB3 LEU 72 2HB LEU 72 8.665 3.525 1.612 566 HG LEU 72 HG LEU 72 8.482 1.042 1.415 567 HD11 LEU 72 1HD1 LEU 72 6.788 2.665 2.782 568 HD12 LEU 72 2HD1 LEU 72 6.655 0.917 2.792 569 HD13 LEU 72 3HD1 LEU 72 5.620 1.867 1.731 570 HD21 LEU 72 3HD2 LEU 72 6.142 1.535 -0.448 571 HD22 LEU 72 1HD2 LEU 72 6.914 0.003 -0.049 572 HD23 LEU 72 2HD2 LEU 72 7.763 1.179 -1.049 573 H LYS 73 H LYS 73 6.135 5.755 1.450 574 HA LYS 73 HA LYS 73 8.151 7.817 0.852 575 HB2 LYS 73 1HB LYS 73 6.096 8.033 -0.583 576 HB3 LYS 73 2HB LYS 73 5.195 8.405 0.890 577 HG2 LYS 73 1HG LYS 73 6.966 10.232 1.322 578 HG3 LYS 73 2HG LYS 73 7.494 9.959 -0.339 579 HD2 LYS 73 1HD LYS 73 4.698 10.759 0.523 580 HD3 LYS 73 2HD LYS 73 5.893 11.823 -0.217 581 HE2 LYS 73 1HE LYS 73 5.936 10.147 -2.179 582 HE3 LYS 73 2HE LYS 73 4.462 9.475 -1.475 583 HZ1 LYS 73 3HZ LYS 73 4.319 12.296 -1.582 584 HZ2 LYS 73 1HZ LYS 73 3.290 11.143 -2.280 585 HZ3 LYS 73 2HZ LYS 73 4.670 11.668 -3.122 586 HA PRO 74 HA PRO 74 7.637 8.068 5.368 587 HB2 PRO 74 1HB PRO 74 9.727 9.711 5.942 588 HB3 PRO 74 2HB PRO 74 9.984 8.033 5.446 589 HG2 PRO 74 1HG PRO 74 10.191 10.529 3.804 590 HG3 PRO 74 2HG PRO 74 11.262 9.114 3.840 591 HD2 PRO 74 1HD PRO 74 9.320 9.493 1.914 592 HD3 PRO 74 2HD PRO 74 9.904 7.886 2.412 593 H PHE 75 H PHE 75 7.844 10.138 6.983 594 HA PHE 75 HA PHE 75 5.963 12.140 5.901 595 HB2 PHE 75 1HB PHE 75 6.552 11.300 8.748 596 HB3 PHE 75 2HB PHE 75 5.407 12.547 8.284 597 HD1 PHE 75 HD1 PHE 75 3.671 11.836 6.392 598 HD2 PHE 75 HD2 PHE 75 5.693 9.099 9.024 599 HE1 PHE 75 HE1 PHE 75 1.923 10.136 5.974 600 HE2 PHE 75 HE2 PHE 75 3.937 7.405 8.606 601 HZ PHE 75 HZ PHE 75 2.054 7.922 7.079 602 HA PRO 76 HA PRO 76 9.108 15.272 6.263 603 HB2 PRO 76 1HB PRO 76 7.561 17.517 6.816 604 HB3 PRO 76 2HB PRO 76 7.706 16.789 5.203 605 HG2 PRO 76 1HG PRO 76 5.529 16.459 7.240 606 HG3 PRO 76 2HG PRO 76 5.404 16.655 5.480 607 HD2 PRO 76 1HD PRO 76 5.163 14.224 6.668 608 HD3 PRO 76 2HD PRO 76 5.889 14.401 5.057 609 H HIS 77 H HIS 77 6.715 15.048 8.858 610 HA HIS 77 HA HIS 77 8.323 16.474 10.790 611 HB2 HIS 77 1HB HIS 77 6.610 15.666 12.403 612 HB3 HIS 77 2HB HIS 77 5.907 16.494 11.013 613 HD1 HIS 77 HD1 HIS 77 6.954 12.890 11.709 614 HD2 HIS 77 HD2 HIS 77 3.771 15.024 10.086 615 HE1 HIS 77 HE1 HIS 77 5.242 11.171 10.990 616 HE2 HIS 77 HE2 HIS 77 3.293 12.459 9.990 617 H HIS 78 H HIS 78 8.252 13.308 9.529 618 HA HIS 78 HA HIS 78 10.249 12.406 11.493 619 HB2 HIS 78 1HB HIS 78 7.657 10.986 10.859 620 HB3 HIS 78 2HB HIS 78 9.052 10.163 11.563 621 HD1 HIS 78 HD1 HIS 78 6.052 11.395 12.738 622 HD2 HIS 78 HD2 HIS 78 9.980 12.220 13.868 623 HE1 HIS 78 HE1 HIS 78 5.939 12.342 15.085 624 HE2 HIS 78 HE2 HIS 78 8.327 12.849 15.787 625 HA PRO 79 HA PRO 79 11.162 11.476 7.009 626 HB2 PRO 79 1HB PRO 79 13.797 12.343 7.050 627 HB3 PRO 79 2HB PRO 79 12.419 13.397 6.674 628 HG2 PRO 79 1HG PRO 79 13.926 13.094 9.243 629 HG3 PRO 79 2HG PRO 79 13.284 14.562 8.481 630 HD2 PRO 79 1HD PRO 79 12.033 13.321 10.565 631 HD3 PRO 79 2HD PRO 79 11.132 14.223 9.332 632 H ASN 80 H ASN 80 12.381 10.499 10.080 633 HA ASN 80 HA ASN 80 14.121 8.410 8.978 634 HB2 ASN 80 1HB ASN 80 14.832 9.740 10.955 635 HB3 ASN 80 2HB ASN 80 13.424 9.148 11.835 636 HD21 ASN 80 2HD2 ASN 80 14.692 7.948 13.399 637 HD22 ASN 80 1HD2 ASN 80 15.559 6.556 12.963 638 H GLN 81 H GLN 81 11.010 8.592 8.821 639 HA GLN 81 HA GLN 81 10.549 5.798 9.616 640 HB2 GLN 81 1HB GLN 81 9.749 7.343 11.477 641 HB3 GLN 81 2HB GLN 81 8.580 7.995 10.329 642 HG2 GLN 81 1HG GLN 81 7.451 6.269 11.567 643 HG3 GLN 81 2HG GLN 81 7.762 5.615 9.963 644 HE21 GLN 81 2HE2 GLN 81 8.704 5.404 13.367 645 HE22 GLN 81 1HE2 GLN 81 9.614 3.980 13.206 646 H ILE 82 H ILE 82 9.500 4.727 8.115 647 HA ILE 82 HA ILE 82 8.768 6.024 5.657 648 HB ILE 82 HB ILE 82 7.989 3.160 6.060 649 HG12 ILE 82 1HG1 ILE 82 9.993 3.152 7.437 650 HG13 ILE 82 2HG1 ILE 82 10.384 2.425 5.888 651 HG21 ILE 82 1HG2 ILE 82 8.004 4.385 3.870 652 HG22 ILE 82 2HG2 ILE 82 9.016 2.938 3.880 653 HG23 ILE 82 3HG2 ILE 82 9.753 4.540 4.012 654 HD11 ILE 82 3HD1 ILE 82 12.149 3.853 5.884 655 HD12 ILE 82 1HD1 ILE 82 11.447 4.881 7.121 656 HD13 ILE 82 2HD1 ILE 82 10.994 5.101 5.430 657 H GLY 83 H GLY 83 6.699 5.805 4.601 658 HA2 GLY 83 1HA GLY 83 4.554 6.715 6.174 659 HA3 GLY 83 2HA GLY 83 4.433 6.161 4.511 660 H LEU 84 H LEU 84 3.783 5.453 7.774 661 HA LEU 84 HA LEU 84 3.405 2.592 7.453 662 HB2 LEU 84 1HB LEU 84 4.117 3.576 9.589 663 HB3 LEU 84 2HB LEU 84 2.611 4.479 9.687 664 HG LEU 84 HG LEU 84 2.204 1.547 9.258 665 HD11 LEU 84 1HD1 LEU 84 3.488 2.527 11.822 666 HD12 LEU 84 2HD1 LEU 84 4.151 1.348 10.689 667 HD13 LEU 84 3HD1 LEU 84 2.708 0.957 11.623 668 HD21 LEU 84 3HD2 LEU 84 0.462 1.844 10.894 669 HD22 LEU 84 1HD2 LEU 84 0.423 3.266 9.854 670 HD23 LEU 84 2HD2 LEU 84 1.155 3.365 11.454 671 H GLY 85 H GLY 85 1.632 5.372 6.713 672 HA2 GLY 85 1HA GLY 85 -0.999 3.988 6.850 673 HA3 GLY 85 2HA GLY 85 -0.760 5.725 6.708 674 H VAL 86 H VAL 86 -2.495 4.500 5.009 675 HA VAL 86 HA VAL 86 -1.180 4.812 2.393 676 HB VAL 86 HB VAL 86 -3.032 2.540 3.131 677 HG11 VAL 86 1HG1 VAL 86 -3.536 3.229 0.872 678 HG12 VAL 86 2HG1 VAL 86 -2.514 1.800 0.752 679 HG13 VAL 86 3HG1 VAL 86 -1.826 3.402 0.482 680 HG21 VAL 86 3HG2 VAL 86 -0.739 2.180 3.904 681 HG22 VAL 86 1HG2 VAL 86 -0.112 2.622 2.314 682 HG23 VAL 86 2HG2 VAL 86 -1.057 1.146 2.512 683 H THR 87 H THR 87 -2.505 5.538 0.721 684 HA THR 87 HA THR 87 -5.228 6.352 1.383 685 HB THR 87 HB THR 87 -4.863 8.643 0.976 686 HG1 THR 87 HG1 THR 87 -2.269 8.046 0.023 687 HG21 THR 87 3HG2 THR 87 -3.790 7.833 3.107 688 HG22 THR 87 1HG2 THR 87 -3.105 9.328 2.470 689 HG23 THR 87 2HG2 THR 87 -2.250 7.805 2.248 Start of MODEL 4 1 H1 MET 1 1H MET 1 -12.961 -14.001 -1.997 2 H2 MET 1 2H MET 1 -11.937 -14.002 -3.355 3 H3 MET 1 3H MET 1 -11.321 -14.401 -1.821 4 HA MET 1 HA MET 1 -13.429 -15.978 -3.184 5 HB2 MET 1 1HB MET 1 -11.312 -15.941 -4.499 6 HB3 MET 1 2HB MET 1 -10.440 -16.488 -3.070 7 HG2 MET 1 1HG MET 1 -11.775 -18.556 -3.023 8 HG3 MET 1 2HG MET 1 -12.704 -17.997 -4.411 9 HE1 MET 1 3HE MET 1 -8.460 -19.677 -4.272 10 HE2 MET 1 1HE MET 1 -9.792 -19.931 -3.139 11 HE3 MET 1 2HE MET 1 -8.972 -18.372 -3.203 12 H ASN 2 H ASN 2 -14.303 -17.430 -1.819 13 HA ASN 2 HA ASN 2 -14.729 -18.600 0.108 14 HB2 ASN 2 1HB ASN 2 -12.713 -19.809 -0.732 15 HB3 ASN 2 2HB ASN 2 -11.711 -18.771 0.280 16 HD21 ASN 2 2HD2 ASN 2 -14.245 -21.284 0.400 17 HD22 ASN 2 1HD2 ASN 2 -13.945 -21.729 2.010 18 H GLU 3 H GLU 3 -15.051 -15.988 0.574 19 HA GLU 3 HA GLU 3 -15.070 -14.338 2.164 20 HB2 GLU 3 1HB GLU 3 -14.536 -16.765 3.900 21 HB3 GLU 3 2HB GLU 3 -14.940 -15.170 4.540 22 HG2 GLU 3 1HG GLU 3 -17.061 -15.186 3.304 23 HG3 GLU 3 2HG GLU 3 -16.655 -16.749 2.599 24 H ALA 4 H ALA 4 -13.119 -13.484 1.122 25 HA ALA 4 HA ALA 4 -10.501 -14.001 2.016 26 HB1 ALA 4 3HB ALA 4 -11.661 -11.460 0.850 27 HB2 ALA 4 1HB ALA 4 -10.968 -12.803 -0.060 28 HB3 ALA 4 2HB ALA 4 -9.941 -11.826 0.988 29 H LYS 5 H LYS 5 -12.436 -11.077 2.777 30 HA LYS 5 HA LYS 5 -12.493 -9.713 4.618 31 HB2 LYS 5 1HB LYS 5 -11.463 -12.095 6.171 32 HB3 LYS 5 2HB LYS 5 -12.372 -10.715 6.793 33 HG2 LYS 5 1HG LYS 5 -14.253 -11.390 5.222 34 HG3 LYS 5 2HG LYS 5 -13.359 -12.878 4.914 35 HD2 LYS 5 1HD LYS 5 -14.330 -11.912 7.628 36 HD3 LYS 5 2HD LYS 5 -15.046 -13.216 6.684 37 HE2 LYS 5 1HE LYS 5 -12.356 -13.169 8.076 38 HE3 LYS 5 2HE LYS 5 -13.659 -14.341 8.251 39 HZ1 LYS 5 3HZ LYS 5 -13.271 -15.006 5.931 40 HZ2 LYS 5 1HZ LYS 5 -11.923 -15.281 6.927 41 HZ3 LYS 5 2HZ LYS 5 -11.938 -13.955 5.865 42 H GLY 6 H GLY 6 -10.822 -8.363 3.864 43 HA2 GLY 6 1HA GLY 6 -8.164 -8.730 5.184 44 HA3 GLY 6 2HA GLY 6 -8.365 -8.009 3.593 45 H VAL 7 H VAL 7 -8.249 -5.868 3.564 46 HA VAL 7 HA VAL 7 -9.246 -4.272 5.857 47 HB VAL 7 HB VAL 7 -7.289 -2.737 5.435 48 HG11 VAL 7 1HG1 VAL 7 -7.312 -4.350 7.307 49 HG12 VAL 7 2HG1 VAL 7 -5.683 -4.159 6.659 50 HG13 VAL 7 3HG1 VAL 7 -6.635 -5.587 6.248 51 HG21 VAL 7 3HG2 VAL 7 -5.384 -3.595 4.193 52 HG22 VAL 7 1HG2 VAL 7 -6.798 -3.628 3.145 53 HG23 VAL 7 2HG2 VAL 7 -6.222 -5.117 3.888 54 H TYR 8 H TYR 8 -9.444 -1.929 5.219 55 HA TYR 8 HA TYR 8 -10.300 -1.583 2.394 56 HB2 TYR 8 1HB TYR 8 -11.837 -0.775 4.874 57 HB3 TYR 8 2HB TYR 8 -12.288 -0.379 3.215 58 HD1 TYR 8 HD1 TYR 8 -11.886 -3.126 5.671 59 HD2 TYR 8 HD2 TYR 8 -13.215 -2.071 1.720 60 HE1 TYR 8 HE1 TYR 8 -13.003 -5.336 5.456 61 HE2 TYR 8 HE2 TYR 8 -14.332 -4.276 1.510 62 HH TYR 8 HH TYR 8 -14.310 -6.620 4.198 63 H VAL 9 H VAL 9 -9.858 0.371 1.510 64 HA VAL 9 HA VAL 9 -7.998 2.111 2.844 65 HB VAL 9 HB VAL 9 -9.459 2.291 0.195 66 HG11 VAL 9 1HG1 VAL 9 -8.957 4.564 0.713 67 HG12 VAL 9 2HG1 VAL 9 -7.620 4.045 -0.308 68 HG13 VAL 9 3HG1 VAL 9 -7.416 4.150 1.438 69 HG21 VAL 9 3HG2 VAL 9 -7.770 0.469 0.491 70 HG22 VAL 9 1HG2 VAL 9 -6.557 1.700 0.829 71 HG23 VAL 9 2HG2 VAL 9 -7.323 1.636 -0.750 72 H MET 10 H MET 10 -8.491 3.845 4.163 73 HA MET 10 HA MET 10 -11.255 4.631 4.455 74 HB2 MET 10 1HB MET 10 -8.897 5.950 5.813 75 HB3 MET 10 2HB MET 10 -10.528 5.682 6.432 76 HG2 MET 10 1HG MET 10 -10.036 3.205 6.404 77 HG3 MET 10 2HG MET 10 -8.366 3.602 5.985 78 HE1 MET 10 3HE MET 10 -9.069 1.861 8.386 79 HE2 MET 10 1HE MET 10 -8.044 2.518 9.664 80 HE3 MET 10 2HE MET 10 -7.417 2.362 8.023 81 H SER 11 H SER 11 -8.213 6.519 3.971 82 HA SER 11 HA SER 11 -9.781 8.448 2.295 83 HB2 SER 11 1HB SER 11 -7.527 9.042 4.230 84 HB3 SER 11 2HB SER 11 -8.356 10.222 3.211 85 HG SER 11 HG SER 11 -10.030 10.154 4.505 86 H VAL 12 H VAL 12 -8.748 9.408 0.578 87 HA VAL 12 HA VAL 12 -6.142 8.272 -0.287 88 HB VAL 12 HB VAL 12 -8.557 8.850 -2.030 89 HG11 VAL 12 1HG1 VAL 12 -7.103 7.729 -3.785 90 HG12 VAL 12 2HG1 VAL 12 -5.762 7.836 -2.645 91 HG13 VAL 12 3HG1 VAL 12 -6.519 9.306 -3.255 92 HG21 VAL 12 3HG2 VAL 12 -8.634 6.422 -2.348 93 HG22 VAL 12 1HG2 VAL 12 -8.765 6.796 -0.631 94 HG23 VAL 12 2HG2 VAL 12 -7.237 6.216 -1.294 95 H LEU 13 H LEU 13 -4.714 9.748 -0.913 96 HA LEU 13 HA LEU 13 -5.515 12.562 -0.781 97 HB2 LEU 13 1HB LEU 13 -2.930 11.101 -0.511 98 HB3 LEU 13 2HB LEU 13 -2.864 12.772 -1.031 99 HG LEU 13 HG LEU 13 -4.160 13.441 0.958 100 HD11 LEU 13 1HD1 LEU 13 -5.487 11.462 1.343 101 HD12 LEU 13 2HD1 LEU 13 -4.462 11.676 2.759 102 HD13 LEU 13 3HD1 LEU 13 -4.045 10.465 1.546 103 HD21 LEU 13 3HD2 LEU 13 -2.399 12.973 2.629 104 HD22 LEU 13 1HD2 LEU 13 -1.700 13.402 1.069 105 HD23 LEU 13 2HD2 LEU 13 -1.746 11.716 1.582 106 HA PRO 14 HA PRO 14 -5.392 13.132 -5.164 107 HB2 PRO 14 1HB PRO 14 -4.799 15.798 -5.368 108 HB3 PRO 14 2HB PRO 14 -6.356 15.217 -4.750 109 HG2 PRO 14 1HG PRO 14 -3.945 16.138 -3.214 110 HG3 PRO 14 2HG PRO 14 -5.657 16.537 -2.954 111 HD2 PRO 14 1HD PRO 14 -4.380 14.625 -1.468 112 HD3 PRO 14 2HD PRO 14 -6.110 14.518 -1.879 113 H ASN 15 H ASN 15 -2.552 14.055 -3.302 114 HA ASN 15 HA ASN 15 -0.841 13.839 -5.732 115 HB2 ASN 15 1HB ASN 15 -0.333 15.245 -3.107 116 HB3 ASN 15 2HB ASN 15 0.806 15.141 -4.450 117 HD21 ASN 15 2HD2 ASN 15 -0.546 15.715 -6.691 118 HD22 ASN 15 1HD2 ASN 15 -1.375 17.191 -6.588 119 H MET 16 H MET 16 -1.739 11.478 -4.399 120 HA MET 16 HA MET 16 0.761 10.564 -3.123 121 HB2 MET 16 1HB MET 16 -2.072 10.099 -2.463 122 HB3 MET 16 2HB MET 16 -1.135 8.611 -2.486 123 HG2 MET 16 1HG MET 16 -1.108 9.672 -0.232 124 HG3 MET 16 2HG MET 16 0.497 9.582 -0.942 125 HE1 MET 16 3HE MET 16 0.530 11.105 1.214 126 HE2 MET 16 1HE MET 16 0.725 12.844 1.009 127 HE3 MET 16 2HE MET 16 1.822 11.729 0.195 128 HA PRO 17 HA PRO 17 1.669 7.709 -6.302 129 HB2 PRO 17 1HB PRO 17 1.786 5.430 -4.356 130 HB3 PRO 17 2HB PRO 17 3.055 6.061 -5.420 131 HG2 PRO 17 1HG PRO 17 3.126 6.503 -2.788 132 HG3 PRO 17 2HG PRO 17 3.632 7.759 -3.942 133 HD2 PRO 17 1HD PRO 17 1.029 7.549 -2.428 134 HD3 PRO 17 2HD PRO 17 2.037 8.955 -2.758 135 H ALA 18 H ALA 18 -0.833 6.561 -4.039 136 HA ALA 18 HA ALA 18 -1.891 4.614 -5.925 137 HB1 ALA 18 3HB ALA 18 -3.247 3.890 -4.132 138 HB2 ALA 18 1HB ALA 18 -3.223 5.470 -3.343 139 HB3 ALA 18 2HB ALA 18 -1.784 4.454 -3.327 140 H ALA 19 H ALA 19 -2.269 7.919 -5.409 141 HA ALA 19 HA ALA 19 -5.040 8.231 -5.958 142 HB1 ALA 19 3HB ALA 19 -3.217 9.948 -5.062 143 HB2 ALA 19 1HB ALA 19 -4.631 10.525 -5.945 144 HB3 ALA 19 2HB ALA 19 -3.076 10.368 -6.764 145 H GLY 20 H GLY 20 -6.156 8.318 -7.820 146 HA2 GLY 20 1HA GLY 20 -6.550 8.576 -10.111 147 HA3 GLY 20 2HA GLY 20 -4.815 8.626 -10.401 148 H ARG 21 H ARG 21 -4.771 6.131 -8.525 149 HA ARG 21 HA ARG 21 -5.456 4.126 -10.632 150 HB2 ARG 21 1HB ARG 21 -3.227 4.137 -8.579 151 HB3 ARG 21 2HB ARG 21 -3.630 2.756 -9.602 152 HG2 ARG 21 1HG ARG 21 -3.210 4.109 -11.613 153 HG3 ARG 21 2HG ARG 21 -2.828 5.502 -10.600 154 HD2 ARG 21 1HD ARG 21 -0.973 4.253 -9.566 155 HD3 ARG 21 2HD ARG 21 -1.349 2.855 -10.577 156 HE ARG 21 HE ARG 21 -0.964 4.983 -12.322 157 HH11 ARG 21 1HH2 ARG 21 0.826 3.307 -9.872 158 HH12 ARG 21 2HH2 ARG 21 2.364 3.574 -10.617 159 HH21 ARG 21 1HH1 ARG 21 1.061 5.336 -13.309 160 HH22 ARG 21 2HH1 ARG 21 2.498 4.725 -12.565 161 H LEU 22 H LEU 22 -5.488 4.929 -7.205 162 HA LEU 22 HA LEU 22 -7.328 2.656 -6.706 163 HB2 LEU 22 1HB LEU 22 -4.938 2.618 -5.635 164 HB3 LEU 22 2HB LEU 22 -5.571 3.869 -4.573 165 HG LEU 22 HG LEU 22 -7.461 2.354 -3.976 166 HD11 LEU 22 1HD1 LEU 22 -6.664 -0.224 -4.529 167 HD12 LEU 22 2HD1 LEU 22 -6.153 0.588 -6.001 168 HD13 LEU 22 3HD1 LEU 22 -7.838 0.669 -5.487 169 HD21 LEU 22 3HD2 LEU 22 -5.573 2.525 -2.492 170 HD22 LEU 22 1HD2 LEU 22 -4.631 1.397 -3.472 171 HD23 LEU 22 2HD2 LEU 22 -6.035 0.824 -2.572 172 H GLU 23 H GLU 23 -9.020 3.008 -5.212 173 HA GLU 23 HA GLU 23 -9.565 5.798 -4.433 174 HB2 GLU 23 1HB GLU 23 -11.273 4.012 -6.168 175 HB3 GLU 23 2HB GLU 23 -11.993 5.304 -5.217 176 HG2 GLU 23 1HG GLU 23 -9.703 5.726 -7.172 177 HG3 GLU 23 2HG GLU 23 -11.394 5.939 -7.604 178 H ALA 24 H ALA 24 -11.045 6.029 -2.814 179 HA ALA 24 HA ALA 24 -10.856 4.245 -0.673 180 HB1 ALA 24 3HB ALA 24 -12.631 5.587 0.390 181 HB2 ALA 24 1HB ALA 24 -12.982 6.353 -1.158 182 HB3 ALA 24 2HB ALA 24 -11.429 6.629 -0.367 183 H GLY 25 H GLY 25 -12.115 2.591 0.044 184 HA2 GLY 25 1HA GLY 25 -14.230 1.412 0.143 185 HA3 GLY 25 2HA GLY 25 -14.505 1.821 -1.547 186 H ASP 26 H ASP 26 -11.633 1.295 -2.239 187 HA ASP 26 HA ASP 26 -11.947 -1.491 -2.868 188 HB2 ASP 26 1HB ASP 26 -9.915 -1.286 -4.048 189 HB3 ASP 26 2HB ASP 26 -10.609 0.330 -4.131 190 H ARG 27 H ARG 27 -10.761 -3.297 -2.099 191 HA ARG 27 HA ARG 27 -9.499 -2.970 0.577 192 HB2 ARG 27 1HB ARG 27 -10.191 -5.336 0.961 193 HB3 ARG 27 2HB ARG 27 -11.550 -4.232 0.763 194 HG2 ARG 27 1HG ARG 27 -11.832 -4.921 -1.555 195 HG3 ARG 27 2HG ARG 27 -10.398 -5.944 -1.462 196 HD2 ARG 27 1HD ARG 27 -11.449 -7.364 0.201 197 HD3 ARG 27 2HD ARG 27 -12.854 -6.302 0.280 198 HE ARG 27 HE ARG 27 -12.621 -7.065 -2.378 199 HH11 ARG 27 1HH2 ARG 27 -13.010 -8.600 0.710 200 HH12 ARG 27 2HH2 ARG 27 -13.907 -9.938 0.081 201 HH21 ARG 27 1HH1 ARG 27 -13.800 -8.816 -3.203 202 HH22 ARG 27 2HH1 ARG 27 -14.356 -10.061 -2.138 203 H ILE 28 H ILE 28 -7.810 -4.456 1.093 204 HA ILE 28 HA ILE 28 -6.091 -5.053 -1.259 205 HB ILE 28 HB ILE 28 -5.305 -4.980 1.666 206 HG12 ILE 28 1HG1 ILE 28 -6.096 -2.769 1.039 207 HG13 ILE 28 2HG1 ILE 28 -4.342 -2.739 1.109 208 HG21 ILE 28 1HG2 ILE 28 -3.023 -4.744 0.710 209 HG22 ILE 28 2HG2 ILE 28 -3.704 -4.925 -0.909 210 HG23 ILE 28 3HG2 ILE 28 -3.783 -6.264 0.237 211 HD11 ILE 28 3HD1 ILE 28 -4.476 -3.210 -1.474 212 HD12 ILE 28 1HD1 ILE 28 -4.808 -1.586 -0.884 213 HD13 ILE 28 2HD1 ILE 28 -6.140 -2.655 -1.309 214 H ALA 29 H ALA 29 -6.005 -7.038 -1.948 215 HA ALA 29 HA ALA 29 -6.893 -9.281 -0.251 216 HB1 ALA 29 3HB ALA 29 -7.871 -9.209 -2.446 217 HB2 ALA 29 1HB ALA 29 -6.730 -10.555 -2.423 218 HB3 ALA 29 2HB ALA 29 -6.291 -9.037 -3.208 219 H ALA 30 H ALA 30 -4.024 -7.864 -1.523 220 HA ALA 30 HA ALA 30 -2.301 -9.496 0.014 221 HB1 ALA 30 3HB ALA 30 -2.717 -11.323 -1.455 222 HB2 ALA 30 1HB ALA 30 -1.142 -10.687 -1.923 223 HB3 ALA 30 2HB ALA 30 -2.576 -10.298 -2.880 224 H ILE 31 H ILE 31 -0.007 -9.144 -0.428 225 HA ILE 31 HA ILE 31 0.597 -6.786 -2.095 226 HB ILE 31 HB ILE 31 1.328 -7.024 0.835 227 HG12 ILE 31 1HG1 ILE 31 -0.225 -4.916 -0.681 228 HG13 ILE 31 2HG1 ILE 31 -0.966 -6.178 0.282 229 HG21 ILE 31 1HG2 ILE 31 2.301 -5.129 -1.323 230 HG22 ILE 31 2HG2 ILE 31 3.276 -6.154 -0.274 231 HG23 ILE 31 3HG2 ILE 31 2.446 -4.766 0.394 232 HD11 ILE 31 3HD1 ILE 31 0.357 -5.349 2.243 233 HD12 ILE 31 1HD1 ILE 31 -0.846 -4.205 1.658 234 HD13 ILE 31 2HD1 ILE 31 0.859 -3.981 1.266 235 H ASP 32 H ASP 32 2.288 -7.102 -3.311 236 HA ASP 32 HA ASP 32 4.156 -8.127 -4.233 237 HB2 ASP 32 1HB ASP 32 5.092 -6.896 -2.259 238 HB3 ASP 32 2HB ASP 32 4.991 -8.391 -1.334 239 H GLY 33 H GLY 33 1.865 -9.863 -2.857 240 HA2 GLY 33 1HA GLY 33 1.558 -12.161 -3.575 241 HA3 GLY 33 2HA GLY 33 3.254 -12.471 -3.237 242 H GLN 34 H GLN 34 2.370 -10.604 -0.721 243 HA GLN 34 HA GLN 34 1.931 -12.928 1.006 244 HB2 GLN 34 1HB GLN 34 2.654 -11.612 2.823 245 HB3 GLN 34 2HB GLN 34 3.724 -11.266 1.471 246 HG2 GLN 34 1HG GLN 34 1.892 -9.285 1.107 247 HG3 GLN 34 2HG GLN 34 1.730 -9.481 2.827 248 HE21 GLN 34 2HE2 GLN 34 4.507 -9.503 0.538 249 HE22 GLN 34 1HE2 GLN 34 5.433 -8.398 1.427 250 HA PRO 35 HA PRO 35 -2.506 -11.698 1.019 251 HB2 PRO 35 1HB PRO 35 -2.642 -13.898 3.063 252 HB3 PRO 35 2HB PRO 35 -3.644 -13.650 1.618 253 HG2 PRO 35 1HG PRO 35 -1.770 -15.550 1.677 254 HG3 PRO 35 2HG PRO 35 -2.062 -14.605 0.202 255 HD2 PRO 35 1HD PRO 35 0.179 -14.327 2.200 256 HD3 PRO 35 2HD PRO 35 0.202 -14.179 0.432 257 H ILE 36 H ILE 36 -3.459 -10.198 2.333 258 HA ILE 36 HA ILE 36 -2.255 -9.594 4.957 259 HB ILE 36 HB ILE 36 -4.116 -7.901 3.281 260 HG12 ILE 36 1HG1 ILE 36 -2.106 -8.266 2.001 261 HG13 ILE 36 2HG1 ILE 36 -2.027 -6.655 2.672 262 HG21 ILE 36 1HG2 ILE 36 -4.053 -7.292 5.670 263 HG22 ILE 36 2HG2 ILE 36 -3.251 -6.070 4.704 264 HG23 ILE 36 3HG2 ILE 36 -2.291 -7.235 5.616 265 HD11 ILE 36 3HD1 ILE 36 -0.677 -7.791 4.620 266 HD12 ILE 36 1HD1 ILE 36 0.133 -7.520 3.080 267 HD13 ILE 36 2HD1 ILE 36 -0.486 -9.112 3.472 268 H ASN 37 H ASN 37 -3.194 -10.337 6.585 269 HA ASN 37 HA ASN 37 -6.156 -10.621 6.744 270 HB2 ASN 37 1HB ASN 37 -3.924 -12.150 8.094 271 HB3 ASN 37 2HB ASN 37 -5.604 -12.259 8.620 272 HD21 ASN 37 2HD2 ASN 37 -6.869 -12.180 6.048 273 HD22 ASN 37 1HD2 ASN 37 -6.456 -13.599 5.215 274 H THR 38 H THR 38 -3.390 -9.023 8.118 275 HA THR 38 HA THR 38 -5.153 -7.741 10.141 276 HB THR 38 HB THR 38 -3.335 -7.770 11.762 277 HG1 THR 38 HG1 THR 38 -1.713 -7.880 10.023 278 HG21 THR 38 3HG2 THR 38 -3.937 -10.494 10.593 279 HG22 THR 38 1HG2 THR 38 -4.868 -9.653 11.833 280 HG23 THR 38 2HG2 THR 38 -3.235 -10.216 12.186 281 H SER 39 H SER 39 -4.622 -5.627 10.670 282 HA SER 39 HA SER 39 -3.466 -4.075 8.567 283 HB2 SER 39 1HB SER 39 -3.835 -2.172 10.116 284 HB3 SER 39 2HB SER 39 -5.273 -3.178 9.954 285 HG SER 39 HG SER 39 -3.870 -4.232 11.887 286 H GLU 40 H GLU 40 -2.360 -5.431 11.575 287 HA GLU 40 HA GLU 40 -0.018 -3.880 11.933 288 HB2 GLU 40 1HB GLU 40 -0.651 -6.715 12.793 289 HB3 GLU 40 2HB GLU 40 0.732 -5.782 13.361 290 HG2 GLU 40 1HG GLU 40 -2.151 -4.902 13.670 291 HG3 GLU 40 2HG GLU 40 -1.231 -5.730 14.923 292 H GLN 41 H GLN 41 -0.776 -6.640 9.904 293 HA GLN 41 HA GLN 41 1.872 -7.477 9.380 294 HB2 GLN 41 1HB GLN 41 -0.225 -8.758 8.838 295 HB3 GLN 41 2HB GLN 41 -0.506 -7.641 7.509 296 HG2 GLN 41 1HG GLN 41 1.664 -8.261 6.520 297 HG3 GLN 41 2HG GLN 41 1.963 -9.366 7.861 298 HE21 GLN 41 2HE2 GLN 41 -1.084 -10.010 7.810 299 HE22 GLN 41 1HE2 GLN 41 -1.226 -11.114 6.532 300 H ILE 42 H ILE 42 -0.081 -4.802 8.162 301 HA ILE 42 HA ILE 42 1.561 -4.252 5.882 302 HB ILE 42 HB ILE 42 -0.431 -2.520 7.359 303 HG12 ILE 42 1HG1 ILE 42 -1.447 -4.613 6.548 304 HG13 ILE 42 2HG1 ILE 42 -2.013 -3.244 5.594 305 HG21 ILE 42 1HG2 ILE 42 0.999 -1.151 5.965 306 HG22 ILE 42 2HG2 ILE 42 -0.548 -1.334 5.142 307 HG23 ILE 42 3HG2 ILE 42 0.846 -2.284 4.623 308 HD11 ILE 42 3HD1 ILE 42 0.052 -3.934 4.035 309 HD12 ILE 42 1HD1 ILE 42 -1.503 -4.723 3.903 310 HD13 ILE 42 2HD1 ILE 42 -0.206 -5.488 4.808 311 H VAL 43 H VAL 43 1.585 -3.379 9.259 312 HA VAL 43 HA VAL 43 3.274 -1.074 9.017 313 HB VAL 43 HB VAL 43 2.750 -2.920 11.366 314 HG11 VAL 43 1HG1 VAL 43 3.961 -0.144 11.183 315 HG12 VAL 43 2HG1 VAL 43 4.742 -1.607 11.783 316 HG13 VAL 43 3HG1 VAL 43 3.423 -0.878 12.694 317 HG21 VAL 43 3HG2 VAL 43 0.683 -1.928 10.521 318 HG22 VAL 43 1HG2 VAL 43 1.429 -0.329 10.493 319 HG23 VAL 43 2HG2 VAL 43 1.131 -1.136 12.032 320 H SER 44 H SER 44 3.820 -4.547 9.644 321 HA SER 44 HA SER 44 6.632 -4.267 10.097 322 HB2 SER 44 1HB SER 44 5.052 -6.692 9.207 323 HB3 SER 44 2HB SER 44 6.689 -6.703 9.868 324 HG SER 44 HG SER 44 4.281 -6.526 11.135 325 H TYR 45 H TYR 45 4.610 -5.029 7.328 326 HA TYR 45 HA TYR 45 6.602 -5.696 5.475 327 HB2 TYR 45 1HB TYR 45 4.209 -6.024 5.077 328 HB3 TYR 45 2HB TYR 45 3.971 -4.284 4.981 329 HD1 TYR 45 HD1 TYR 45 6.100 -6.996 3.501 330 HD2 TYR 45 HD2 TYR 45 4.043 -3.277 2.825 331 HE1 TYR 45 HE1 TYR 45 6.675 -7.110 1.090 332 HE2 TYR 45 HE2 TYR 45 4.612 -3.412 0.417 333 HH TYR 45 HH TYR 45 5.195 -5.246 -1.243 334 H VAL 46 H VAL 46 5.045 -2.493 5.872 335 HA VAL 46 HA VAL 46 6.701 -1.100 4.106 336 HB VAL 46 HB VAL 46 6.026 0.907 5.385 337 HG11 VAL 46 1HG1 VAL 46 3.553 0.587 5.078 338 HG12 VAL 46 2HG1 VAL 46 3.882 -1.117 4.769 339 HG13 VAL 46 3HG1 VAL 46 4.524 0.122 3.686 340 HG21 VAL 46 3HG2 VAL 46 6.091 0.080 7.634 341 HG22 VAL 46 1HG2 VAL 46 4.864 -1.112 7.254 342 HG23 VAL 46 2HG2 VAL 46 4.439 0.587 7.285 343 H ARG 47 H ARG 47 7.184 -1.999 7.466 344 HA ARG 47 HA ARG 47 9.418 -0.356 8.003 345 HB2 ARG 47 1HB ARG 47 8.043 -1.537 9.732 346 HB3 ARG 47 2HB ARG 47 8.769 -3.050 9.217 347 HG2 ARG 47 1HG ARG 47 9.951 -2.243 11.177 348 HG3 ARG 47 2HG ARG 47 11.023 -2.144 9.782 349 HD2 ARG 47 1HD ARG 47 9.389 0.297 10.439 350 HD3 ARG 47 2HD ARG 47 10.750 -0.072 11.483 351 HE ARG 47 HE ARG 47 10.866 0.786 8.706 352 HH11 ARG 47 1HH2 ARG 47 12.471 -0.723 11.379 353 HH12 ARG 47 2HH2 ARG 47 14.060 -0.470 10.750 354 HH21 ARG 47 1HH1 ARG 47 12.944 1.089 7.851 355 HH22 ARG 47 2HH1 ARG 47 14.329 0.560 8.740 356 H GLU 48 H GLU 48 9.145 -3.634 6.637 357 HA GLU 48 HA GLU 48 11.868 -4.309 6.648 358 HB2 GLU 48 1HB GLU 48 9.671 -5.045 4.688 359 HB3 GLU 48 2HB GLU 48 11.276 -5.772 4.660 360 HG2 GLU 48 1HG GLU 48 9.459 -5.823 7.077 361 HG3 GLU 48 2HG GLU 48 9.552 -7.124 5.898 362 H LYS 49 H LYS 49 9.936 -2.732 4.117 363 HA LYS 49 HA LYS 49 12.258 -2.190 2.463 364 HB2 LYS 49 1HB LYS 49 9.457 -1.093 2.118 365 HB3 LYS 49 2HB LYS 49 10.696 -1.249 0.912 366 HG2 LYS 49 1HG LYS 49 9.532 -3.664 2.330 367 HG3 LYS 49 2HG LYS 49 8.859 -3.028 0.842 368 HD2 LYS 49 1HD LYS 49 11.033 -3.333 -0.279 369 HD3 LYS 49 2HD LYS 49 11.705 -4.005 1.204 370 HE2 LYS 49 1HE LYS 49 10.087 -5.832 1.147 371 HE3 LYS 49 2HE LYS 49 9.356 -5.156 -0.312 372 HZ1 LYS 49 3HZ LYS 49 11.952 -5.257 -0.979 373 HZ2 LYS 49 1HZ LYS 49 10.821 -6.464 -1.359 374 HZ3 LYS 49 2HZ LYS 49 11.822 -6.632 0.007 375 H GLN 50 H GLN 50 13.104 -0.166 1.967 376 HA GLN 50 HA GLN 50 12.753 1.859 4.082 377 HB2 GLN 50 1HB GLN 50 14.950 2.707 3.322 378 HB3 GLN 50 2HB GLN 50 15.029 1.015 3.812 379 HG2 GLN 50 1HG GLN 50 14.798 0.345 1.422 380 HG3 GLN 50 2HG GLN 50 14.834 2.047 0.967 381 HE21 GLN 50 2HE2 GLN 50 16.846 1.670 3.651 382 HE22 GLN 50 1HE2 GLN 50 18.323 1.486 2.837 383 H ALA 51 H ALA 51 13.477 4.126 3.146 384 HA ALA 51 HA ALA 51 11.326 5.001 1.524 385 HB1 ALA 51 3HB ALA 51 13.906 6.385 2.312 386 HB2 ALA 51 1HB ALA 51 12.361 6.492 3.154 387 HB3 ALA 51 2HB ALA 51 12.535 7.184 1.540 388 H GLY 52 H GLY 52 11.178 5.334 -0.654 389 HA2 GLY 52 1HA GLY 52 12.001 5.761 -2.831 390 HA3 GLY 52 2HA GLY 52 13.607 5.244 -2.329 391 H ASP 53 H ASP 53 11.506 3.048 -1.055 392 HA ASP 53 HA ASP 53 12.221 1.020 -3.000 393 HB2 ASP 53 1HB ASP 53 12.123 0.537 -0.566 394 HB3 ASP 53 2HB ASP 53 10.389 0.775 -0.598 395 H ARG 54 H ARG 54 10.463 -0.558 -3.674 396 HA ARG 54 HA ARG 54 7.919 0.759 -4.437 397 HB2 ARG 54 1HB ARG 54 9.897 -0.554 -6.331 398 HB3 ARG 54 2HB ARG 54 8.212 -0.250 -6.755 399 HG2 ARG 54 1HG ARG 54 8.505 2.128 -6.415 400 HG3 ARG 54 2HG ARG 54 10.156 1.881 -5.848 401 HD2 ARG 54 1HD ARG 54 10.169 2.586 -8.203 402 HD3 ARG 54 2HD ARG 54 10.759 0.930 -8.062 403 HE ARG 54 HE ARG 54 7.959 0.913 -8.502 404 HH11 ARG 54 1HH2 ARG 54 10.979 1.585 -10.071 405 HH12 ARG 54 2HH2 ARG 54 10.407 1.167 -11.649 406 HH21 ARG 54 1HH1 ARG 54 7.208 0.360 -10.578 407 HH22 ARG 54 2HH1 ARG 54 8.272 0.475 -11.936 408 H VAL 55 H VAL 55 6.298 -0.526 -3.962 409 HA VAL 55 HA VAL 55 6.704 -3.466 -3.924 410 HB VAL 55 HB VAL 55 5.076 -3.492 -1.982 411 HG11 VAL 55 1HG1 VAL 55 7.530 -3.727 -1.698 412 HG12 VAL 55 2HG1 VAL 55 6.799 -2.872 -0.339 413 HG13 VAL 55 3HG1 VAL 55 7.666 -1.975 -1.579 414 HG21 VAL 55 3HG2 VAL 55 4.887 -1.341 -0.727 415 HG22 VAL 55 1HG2 VAL 55 4.106 -1.271 -2.304 416 HG23 VAL 55 2HG2 VAL 55 5.682 -0.517 -2.061 417 H ARG 56 H ARG 56 5.330 -4.626 -4.906 418 HA ARG 56 HA ARG 56 3.154 -3.488 -6.486 419 HB2 ARG 56 1HB ARG 56 4.025 -6.374 -6.165 420 HB3 ARG 56 2HB ARG 56 2.944 -5.746 -7.402 421 HG2 ARG 56 1HG ARG 56 5.828 -4.868 -7.046 422 HG3 ARG 56 2HG ARG 56 5.302 -6.083 -8.204 423 HD2 ARG 56 1HD ARG 56 3.701 -4.271 -9.123 424 HD3 ARG 56 2HD ARG 56 4.659 -3.123 -8.186 425 HE ARG 56 HE ARG 56 5.459 -4.448 -10.618 426 HH11 ARG 56 1HH2 ARG 56 6.528 -2.999 -7.653 427 HH12 ARG 56 2HH2 ARG 56 8.080 -2.554 -8.275 428 HH21 ARG 56 1HH1 ARG 56 7.478 -3.855 -11.437 429 HH22 ARG 56 2HH1 ARG 56 8.618 -3.040 -10.425 430 H VAL 57 H VAL 57 1.303 -3.082 -5.558 431 HA VAL 57 HA VAL 57 0.342 -4.804 -3.325 432 HB VAL 57 HB VAL 57 -0.340 -1.980 -4.142 433 HG11 VAL 57 1HG1 VAL 57 -2.432 -2.799 -3.381 434 HG12 VAL 57 2HG1 VAL 57 -1.732 -2.089 -1.930 435 HG13 VAL 57 3HG1 VAL 57 -1.692 -3.834 -2.167 436 HG21 VAL 57 3HG2 VAL 57 1.002 -3.168 -1.701 437 HG22 VAL 57 1HG2 VAL 57 0.571 -1.475 -1.869 438 HG23 VAL 57 2HG2 VAL 57 1.766 -2.190 -2.946 439 H THR 58 H THR 58 -1.436 -6.027 -3.529 440 HA THR 58 HA THR 58 -2.929 -5.947 -6.089 441 HB THR 58 HB THR 58 -2.952 -8.086 -3.938 442 HG1 THR 58 HG1 THR 58 -0.868 -7.784 -4.835 443 HG21 THR 58 3HG2 THR 58 -3.811 -9.480 -5.781 444 HG22 THR 58 1HG2 THR 58 -3.753 -8.085 -6.859 445 HG23 THR 58 2HG2 THR 58 -4.862 -8.096 -5.487 446 H PHE 59 H PHE 59 -5.109 -5.497 -6.123 447 HA PHE 59 HA PHE 59 -6.645 -5.472 -3.623 448 HB2 PHE 59 1HB PHE 59 -7.277 -3.181 -3.723 449 HB3 PHE 59 2HB PHE 59 -5.528 -3.187 -3.884 450 HD1 PHE 59 HD2 PHE 59 -4.446 -2.689 -6.075 451 HD2 PHE 59 HD1 PHE 59 -8.727 -2.620 -5.629 452 HE1 PHE 59 HE2 PHE 59 -4.672 -1.488 -8.237 453 HE2 PHE 59 HE1 PHE 59 -8.928 -1.416 -7.771 454 HZ PHE 59 HZ PHE 59 -6.904 -0.843 -9.077 455 H ILE 60 H ILE 60 -8.958 -5.488 -4.004 456 HA ILE 60 HA ILE 60 -9.705 -6.218 -6.753 457 HB ILE 60 HB ILE 60 -10.605 -7.105 -4.034 458 HG12 ILE 60 1HG1 ILE 60 -10.487 -9.321 -5.077 459 HG13 ILE 60 2HG1 ILE 60 -10.236 -8.591 -6.664 460 HG21 ILE 60 1HG2 ILE 60 -12.358 -7.030 -6.507 461 HG22 ILE 60 2HG2 ILE 60 -12.749 -6.465 -4.880 462 HG23 ILE 60 3HG2 ILE 60 -12.634 -8.191 -5.206 463 HD11 ILE 60 3HD1 ILE 60 -8.164 -9.468 -5.293 464 HD12 ILE 60 1HD1 ILE 60 -8.320 -7.949 -4.417 465 HD13 ILE 60 2HD1 ILE 60 -8.048 -7.938 -6.162 466 H ARG 61 H ARG 61 -11.266 -5.264 -7.825 467 HA ARG 61 HA ARG 61 -13.018 -3.324 -6.522 468 HB2 ARG 61 1HB ARG 61 -11.200 -1.913 -7.177 469 HB3 ARG 61 2HB ARG 61 -11.097 -2.662 -8.764 470 HG2 ARG 61 1HG ARG 61 -13.204 -1.715 -9.446 471 HG3 ARG 61 2HG ARG 61 -13.576 -1.198 -7.801 472 HD2 ARG 61 1HD ARG 61 -11.197 -0.182 -9.380 473 HD3 ARG 61 2HD ARG 61 -12.751 0.645 -9.327 474 HE ARG 61 HE ARG 61 -10.768 0.604 -7.246 475 HH11 ARG 61 1HH2 ARG 61 -14.156 0.744 -7.958 476 HH12 ARG 61 2HH2 ARG 61 -14.581 1.530 -6.475 477 HH21 ARG 61 1HH1 ARG 61 -11.323 1.616 -5.280 478 HH22 ARG 61 2HH1 ARG 61 -12.972 2.024 -4.958 479 H ASP 62 H ASP 62 -14.949 -3.659 -7.142 480 HA ASP 62 HA ASP 62 -16.808 -4.498 -8.273 481 HB2 ASP 62 1HB ASP 62 -15.119 -3.461 -10.561 482 HB3 ASP 62 2HB ASP 62 -16.794 -3.977 -10.746 483 H ARG 63 H ARG 63 -14.988 -6.534 -7.595 484 HA ARG 63 HA ARG 63 -14.586 -8.706 -7.969 485 HB2 ARG 63 1HB ARG 63 -16.450 -8.382 -10.319 486 HB3 ARG 63 2HB ARG 63 -15.848 -9.905 -9.700 487 HG2 ARG 63 1HG ARG 63 -16.860 -9.418 -7.505 488 HG3 ARG 63 2HG ARG 63 -17.486 -7.896 -8.141 489 HD2 ARG 63 1HD ARG 63 -18.754 -9.157 -9.864 490 HD3 ARG 63 2HD ARG 63 -18.169 -10.666 -9.165 491 HE ARG 63 HE ARG 63 -19.460 -9.005 -7.211 492 HH11 ARG 63 1HH2 ARG 63 -19.980 -11.224 -9.827 493 HH12 ARG 63 2HH2 ARG 63 -21.518 -11.762 -9.243 494 HH21 ARG 63 1HH1 ARG 63 -21.471 -9.708 -6.444 495 HH22 ARG 63 2HH1 ARG 63 -22.364 -10.901 -7.323 496 H LYS 64 H LYS 64 -13.286 -6.334 -9.632 497 HA LYS 64 HA LYS 64 -11.740 -8.071 -11.489 498 HB2 LYS 64 1HB LYS 64 -12.190 -5.081 -11.595 499 HB3 LYS 64 2HB LYS 64 -11.236 -6.015 -12.733 500 HG2 LYS 64 1HG LYS 64 -13.235 -7.321 -13.352 501 HG3 LYS 64 2HG LYS 64 -14.205 -6.378 -12.228 502 HD2 LYS 64 1HD LYS 64 -12.623 -4.964 -14.387 503 HD3 LYS 64 2HD LYS 64 -14.168 -5.701 -14.783 504 HE2 LYS 64 1HE LYS 64 -13.797 -3.669 -12.555 505 HE3 LYS 64 2HE LYS 64 -14.341 -3.271 -14.182 506 HZ1 LYS 64 3HZ LYS 64 -16.333 -3.613 -13.183 507 HZ2 LYS 64 1HZ LYS 64 -15.724 -4.737 -12.067 508 HZ3 LYS 64 2HZ LYS 64 -16.015 -5.208 -13.674 509 H GLN 65 H GLN 65 -9.976 -8.673 -10.407 510 HA GLN 65 HA GLN 65 -8.646 -7.073 -8.464 511 HB2 GLN 65 1HB GLN 65 -7.049 -8.878 -8.344 512 HB3 GLN 65 2HB GLN 65 -8.681 -9.539 -8.392 513 HG2 GLN 65 1HG GLN 65 -7.554 -10.886 -9.974 514 HG3 GLN 65 2HG GLN 65 -8.309 -9.664 -10.993 515 HE21 GLN 65 2HE2 GLN 65 -6.811 -9.228 -12.633 516 HE22 GLN 65 1HE2 GLN 65 -5.164 -8.907 -12.374 517 H HIS 66 H HIS 66 -6.902 -5.841 -8.595 518 HA HIS 66 HA HIS 66 -5.279 -5.740 -11.037 519 HB2 HIS 66 1HB HIS 66 -6.730 -3.313 -9.962 520 HB3 HIS 66 2HB HIS 66 -5.503 -3.292 -11.226 521 HD1 HIS 66 HD1 HIS 66 -6.140 -4.744 -13.447 522 HD2 HIS 66 HD2 HIS 66 -9.254 -3.841 -10.846 523 HE1 HIS 66 HE1 HIS 66 -8.283 -5.104 -14.753 524 HE2 HIS 66 HE2 HIS 66 -10.199 -4.553 -13.178 525 H GLU 67 H GLU 67 -3.257 -5.015 -10.726 526 HA GLU 67 HA GLU 67 -2.277 -4.776 -8.007 527 HB2 GLU 67 1HB GLU 67 -1.165 -5.571 -10.637 528 HB3 GLU 67 2HB GLU 67 -0.043 -4.613 -9.679 529 HG2 GLU 67 1HG GLU 67 -1.486 -7.052 -8.608 530 HG3 GLU 67 2HG GLU 67 0.120 -7.115 -9.325 531 H ALA 68 H ALA 68 -1.464 -3.037 -7.128 532 HA ALA 68 HA ALA 68 -1.482 -0.476 -8.619 533 HB1 ALA 68 3HB ALA 68 -3.095 -0.774 -6.661 534 HB2 ALA 68 1HB ALA 68 -2.044 0.633 -6.588 535 HB3 ALA 68 2HB ALA 68 -1.692 -0.788 -5.618 536 H GLU 69 H GLU 69 0.361 0.378 -8.981 537 HA GLU 69 HA GLU 69 2.841 -0.538 -7.732 538 HB2 GLU 69 1HB GLU 69 2.307 1.511 -9.909 539 HB3 GLU 69 2HB GLU 69 3.917 1.079 -9.331 540 HG2 GLU 69 1HG GLU 69 3.532 -1.261 -9.968 541 HG3 GLU 69 2HG GLU 69 1.911 -0.851 -10.528 542 H LEU 70 H LEU 70 3.040 0.212 -5.713 543 HA LEU 70 HA LEU 70 2.764 3.131 -5.162 544 HB2 LEU 70 1HB LEU 70 2.286 0.681 -3.476 545 HB3 LEU 70 2HB LEU 70 2.752 2.175 -2.675 546 HG LEU 70 HG LEU 70 0.853 3.339 -3.710 547 HD11 LEU 70 1HD1 LEU 70 0.406 2.323 -5.759 548 HD12 LEU 70 2HD1 LEU 70 -0.931 1.736 -4.785 549 HD13 LEU 70 3HD1 LEU 70 0.454 0.688 -5.095 550 HD21 LEU 70 3HD2 LEU 70 -0.014 0.768 -2.360 551 HD22 LEU 70 1HD2 LEU 70 -0.902 2.288 -2.390 552 HD23 LEU 70 2HD2 LEU 70 0.623 2.175 -1.513 553 H VAL 71 H VAL 71 4.318 4.174 -3.972 554 HA VAL 71 HA VAL 71 6.968 2.844 -3.768 555 HB VAL 71 HB VAL 71 6.723 4.553 -5.645 556 HG11 VAL 71 1HG1 VAL 71 6.754 6.600 -3.413 557 HG12 VAL 71 2HG1 VAL 71 5.278 6.107 -4.229 558 HG13 VAL 71 3HG1 VAL 71 6.566 6.888 -5.140 559 HG21 VAL 71 3HG2 VAL 71 8.883 5.765 -4.949 560 HG22 VAL 71 1HG2 VAL 71 8.937 4.006 -4.930 561 HG23 VAL 71 2HG2 VAL 71 8.758 4.904 -3.418 562 H LEU 72 H LEU 72 7.931 2.939 -1.852 563 HA LEU 72 HA LEU 72 6.584 3.888 0.430 564 HB2 LEU 72 1HB LEU 72 9.366 2.891 -0.144 565 HB3 LEU 72 2HB LEU 72 8.968 3.480 1.459 566 HG LEU 72 HG LEU 72 8.696 1.015 1.223 567 HD11 LEU 72 1HD1 LEU 72 5.871 1.925 1.644 568 HD12 LEU 72 2HD1 LEU 72 7.087 2.701 2.651 569 HD13 LEU 72 3HD1 LEU 72 6.916 0.952 2.678 570 HD21 LEU 72 3HD2 LEU 72 6.325 1.615 -0.574 571 HD22 LEU 72 1HD2 LEU 72 7.042 0.048 -0.205 572 HD23 LEU 72 2HD2 LEU 72 7.914 1.193 -1.219 573 H LYS 73 H LYS 73 6.530 5.816 1.397 574 HA LYS 73 HA LYS 73 8.682 7.726 0.884 575 HB2 LYS 73 1HB LYS 73 5.788 8.067 0.211 576 HB3 LYS 73 2HB LYS 73 6.724 9.486 0.696 577 HG2 LYS 73 1HG LYS 73 8.279 9.192 -1.106 578 HG3 LYS 73 2HG LYS 73 7.661 7.589 -1.473 579 HD2 LYS 73 1HD LYS 73 6.828 9.205 -3.102 580 HD3 LYS 73 2HD LYS 73 5.498 8.567 -2.138 581 HE2 LYS 73 1HE LYS 73 5.304 10.573 -0.876 582 HE3 LYS 73 2HE LYS 73 6.906 11.140 -1.357 583 HZ1 LYS 73 3HZ LYS 73 5.509 10.723 -3.690 584 HZ2 LYS 73 1HZ LYS 73 5.926 12.214 -2.993 585 HZ3 LYS 73 2HZ LYS 73 4.420 11.507 -2.648 586 HA PRO 74 HA PRO 74 7.867 7.910 5.348 587 HB2 PRO 74 1HB PRO 74 9.974 9.462 6.088 588 HB3 PRO 74 2HB PRO 74 10.179 7.767 5.622 589 HG2 PRO 74 1HG PRO 74 10.631 10.238 3.980 590 HG3 PRO 74 2HG PRO 74 11.641 8.782 4.116 591 HD2 PRO 74 1HD PRO 74 9.919 9.183 2.033 592 HD3 PRO 74 2HD PRO 74 10.306 7.553 2.640 593 H PHE 75 H PHE 75 8.199 10.009 6.972 594 HA PHE 75 HA PHE 75 6.419 12.096 5.856 595 HB2 PHE 75 1HB PHE 75 6.747 10.982 8.653 596 HB3 PHE 75 2HB PHE 75 5.870 12.476 8.343 597 HD1 PHE 75 HD1 PHE 75 5.883 8.827 7.880 598 HD2 PHE 75 HD2 PHE 75 3.754 12.473 7.083 599 HE1 PHE 75 HE1 PHE 75 3.886 7.517 7.216 600 HE2 PHE 75 HE2 PHE 75 1.756 11.160 6.424 601 HZ PHE 75 HZ PHE 75 1.823 8.683 6.490 602 HA PRO 76 HA PRO 76 9.618 15.120 6.468 603 HB2 PRO 76 1HB PRO 76 8.105 17.372 7.091 604 HB3 PRO 76 2HB PRO 76 8.296 16.734 5.448 605 HG2 PRO 76 1HG PRO 76 6.031 16.351 7.372 606 HG3 PRO 76 2HG PRO 76 5.981 16.633 5.619 607 HD2 PRO 76 1HD PRO 76 5.636 14.154 6.676 608 HD3 PRO 76 2HD PRO 76 6.438 14.391 5.110 609 H HIS 77 H HIS 77 7.234 14.584 8.975 610 HA HIS 77 HA HIS 77 8.800 15.913 11.047 611 HB2 HIS 77 1HB HIS 77 6.312 14.203 11.276 612 HB3 HIS 77 2HB HIS 77 7.014 15.207 12.547 613 HD1 HIS 77 HD1 HIS 77 7.219 16.711 9.202 614 HD2 HIS 77 HD2 HIS 77 4.486 16.725 12.350 615 HE1 HIS 77 HE1 HIS 77 5.641 18.644 8.772 616 HE2 HIS 77 HE2 HIS 77 3.969 18.667 10.682 617 H HIS 78 H HIS 78 8.699 12.850 9.542 618 HA HIS 78 HA HIS 78 10.571 11.738 11.501 619 HB2 HIS 78 1HB HIS 78 8.058 10.296 10.635 620 HB3 HIS 78 2HB HIS 78 9.338 9.653 11.669 621 HD1 HIS 78 HD1 HIS 78 6.189 11.441 11.849 622 HD2 HIS 78 HD2 HIS 78 9.673 11.360 14.138 623 HE1 HIS 78 HE1 HIS 78 5.592 12.437 14.101 624 HE2 HIS 78 HE2 HIS 78 7.705 12.394 15.507 625 HA PRO 79 HA PRO 79 11.390 11.109 6.897 626 HB2 PRO 79 1HB PRO 79 14.085 11.812 7.009 627 HB3 PRO 79 2HB PRO 79 12.771 12.947 6.645 628 HG2 PRO 79 1HG PRO 79 14.184 12.454 9.237 629 HG3 PRO 79 2HG PRO 79 13.650 13.989 8.522 630 HD2 PRO 79 1HD PRO 79 12.259 12.806 10.516 631 HD3 PRO 79 2HD PRO 79 11.430 13.706 9.236 632 H ASN 80 H ASN 80 12.514 9.828 9.853 633 HA ASN 80 HA ASN 80 14.086 7.684 8.563 634 HB2 ASN 80 1HB ASN 80 13.728 8.486 11.458 635 HB3 ASN 80 2HB ASN 80 14.748 7.165 10.887 636 HD21 ASN 80 2HD2 ASN 80 16.158 8.140 8.798 637 HD22 ASN 80 1HD2 ASN 80 17.010 9.549 9.206 638 H GLN 81 H GLN 81 10.982 8.100 8.759 639 HA GLN 81 HA GLN 81 10.376 5.339 9.661 640 HB2 GLN 81 1HB GLN 81 8.742 7.820 10.268 641 HB3 GLN 81 2HB GLN 81 8.258 6.164 10.628 642 HG2 GLN 81 1HG GLN 81 10.765 7.478 11.702 643 HG3 GLN 81 2HG GLN 81 9.255 7.344 12.597 644 HE21 GLN 81 2HE2 GLN 81 12.174 5.930 12.568 645 HE22 GLN 81 1HE2 GLN 81 11.752 4.320 12.895 646 H ILE 82 H ILE 82 9.328 4.229 8.198 647 HA ILE 82 HA ILE 82 8.050 5.606 5.902 648 HB ILE 82 HB ILE 82 8.382 3.033 5.014 649 HG12 ILE 82 1HG1 ILE 82 9.562 2.597 7.344 650 HG13 ILE 82 2HG1 ILE 82 10.271 1.924 5.887 651 HG21 ILE 82 1HG2 ILE 82 9.190 4.824 3.678 652 HG22 ILE 82 2HG2 ILE 82 10.622 3.854 4.027 653 HG23 ILE 82 3HG2 ILE 82 10.330 5.349 4.919 654 HD11 ILE 82 3HD1 ILE 82 11.804 3.196 7.609 655 HD12 ILE 82 1HD1 ILE 82 11.176 4.644 6.833 656 HD13 ILE 82 2HD1 ILE 82 12.044 3.453 5.881 657 H GLY 83 H GLY 83 6.219 4.573 4.977 658 HA2 GLY 83 1HA GLY 83 4.525 2.717 5.371 659 HA3 GLY 83 2HA GLY 83 4.451 3.302 7.024 660 H LEU 84 H LEU 84 4.202 4.567 3.683 661 HA LEU 84 HA LEU 84 2.196 6.502 4.636 662 HB2 LEU 84 1HB LEU 84 3.995 7.363 3.242 663 HB3 LEU 84 2HB LEU 84 3.600 6.208 1.977 664 HG LEU 84 HG LEU 84 1.407 7.269 1.637 665 HD11 LEU 84 1HD1 LEU 84 1.068 9.546 2.910 666 HD12 LEU 84 2HD1 LEU 84 2.193 8.870 4.082 667 HD13 LEU 84 3HD1 LEU 84 0.669 8.050 3.736 668 HD21 LEU 84 3HD2 LEU 84 2.169 9.404 0.736 669 HD22 LEU 84 1HD2 LEU 84 3.416 8.187 0.478 670 HD23 LEU 84 2HD2 LEU 84 3.590 9.372 1.773 671 H GLY 85 H GLY 85 2.357 4.989 1.455 672 HA2 GLY 85 1HA GLY 85 0.540 4.344 0.119 673 HA3 GLY 85 2HA GLY 85 0.633 2.999 1.250 674 H VAL 86 H VAL 86 -0.936 2.751 2.802 675 HA VAL 86 HA VAL 86 -3.316 4.533 2.626 676 HB VAL 86 HB VAL 86 -3.315 1.682 3.662 677 HG11 VAL 86 1HG1 VAL 86 -5.398 3.393 2.294 678 HG12 VAL 86 2HG1 VAL 86 -5.270 3.185 4.039 679 HG13 VAL 86 3HG1 VAL 86 -5.655 1.807 3.017 680 HG21 VAL 86 3HG2 VAL 86 -3.531 2.636 0.786 681 HG22 VAL 86 1HG2 VAL 86 -4.028 1.033 1.328 682 HG23 VAL 86 2HG2 VAL 86 -2.336 1.516 1.442 683 H THR 87 H THR 87 -4.488 4.984 4.623 684 HA THR 87 HA THR 87 -2.762 5.504 6.819 685 HB THR 87 HB THR 87 -5.755 5.765 6.588 686 HG1 THR 87 HG1 THR 87 -3.591 7.428 5.858 687 HG21 THR 87 3HG2 THR 87 -5.386 7.538 8.319 688 HG22 THR 87 1HG2 THR 87 -3.703 7.022 8.431 689 HG23 THR 87 2HG2 THR 87 -4.997 5.918 8.894 Start of MODEL 5 1 H1 MET 1 1H MET 1 -19.565 -13.832 10.357 2 H2 MET 1 2H MET 1 -18.701 -15.188 9.813 3 H3 MET 1 3H MET 1 -19.233 -14.015 8.705 4 HA MET 1 HA MET 1 -17.410 -13.269 10.895 5 HB2 MET 1 1HB MET 1 -16.678 -14.510 8.225 6 HB3 MET 1 2HB MET 1 -15.535 -13.651 9.257 7 HG2 MET 1 1HG MET 1 -15.980 -15.245 11.087 8 HG3 MET 1 2HG MET 1 -17.124 -16.107 10.060 9 HE1 MET 1 3HE MET 1 -14.197 -18.554 10.345 10 HE2 MET 1 1HE MET 1 -15.906 -18.563 9.892 11 HE3 MET 1 2HE MET 1 -15.379 -17.714 11.342 12 H ASN 2 H ASN 2 -19.588 -11.885 9.758 13 HA ASN 2 HA ASN 2 -20.143 -9.890 8.774 14 HB2 ASN 2 1HB ASN 2 -17.193 -9.332 9.156 15 HB3 ASN 2 2HB ASN 2 -18.449 -8.127 8.876 16 HD21 ASN 2 2HD2 ASN 2 -20.471 -9.433 10.569 17 HD22 ASN 2 1HD2 ASN 2 -19.958 -9.236 12.176 18 H GLU 3 H GLU 3 -18.786 -12.187 7.160 19 HA GLU 3 HA GLU 3 -18.403 -12.650 4.954 20 HB2 GLU 3 1HB GLU 3 -19.469 -9.850 4.461 21 HB3 GLU 3 2HB GLU 3 -19.232 -11.095 3.244 22 HG2 GLU 3 1HG GLU 3 -20.825 -12.562 4.385 23 HG3 GLU 3 2HG GLU 3 -21.039 -11.364 5.660 24 H ALA 4 H ALA 4 -16.920 -10.024 6.517 25 HA ALA 4 HA ALA 4 -15.149 -9.031 4.606 26 HB1 ALA 4 3HB ALA 4 -15.569 -8.147 6.954 27 HB2 ALA 4 1HB ALA 4 -13.878 -8.177 6.451 28 HB3 ALA 4 2HB ALA 4 -14.502 -9.419 7.538 29 H LYS 5 H LYS 5 -13.082 -9.603 3.937 30 HA LYS 5 HA LYS 5 -12.110 -12.299 4.738 31 HB2 LYS 5 1HB LYS 5 -13.106 -12.078 2.399 32 HB3 LYS 5 2HB LYS 5 -11.754 -11.015 2.018 33 HG2 LYS 5 1HG LYS 5 -10.308 -13.054 3.024 34 HG3 LYS 5 2HG LYS 5 -11.741 -13.985 2.598 35 HD2 LYS 5 1HD LYS 5 -11.577 -13.171 0.271 36 HD3 LYS 5 2HD LYS 5 -10.152 -12.226 0.705 37 HE2 LYS 5 1HE LYS 5 -9.281 -14.233 -0.242 38 HE3 LYS 5 2HE LYS 5 -9.121 -14.466 1.500 39 HZ1 LYS 5 3HZ LYS 5 -10.345 -16.170 -0.181 40 HZ2 LYS 5 1HZ LYS 5 -11.664 -15.284 0.416 41 HZ3 LYS 5 2HZ LYS 5 -10.628 -16.094 1.493 42 H GLY 6 H GLY 6 -11.049 -9.193 3.249 43 HA2 GLY 6 1HA GLY 6 -8.324 -9.630 4.339 44 HA3 GLY 6 2HA GLY 6 -8.740 -8.584 2.988 45 H VAL 7 H VAL 7 -8.201 -6.581 3.587 46 HA VAL 7 HA VAL 7 -9.381 -5.487 6.078 47 HB VAL 7 HB VAL 7 -6.563 -4.943 5.116 48 HG11 VAL 7 1HG1 VAL 7 -8.116 -4.136 7.596 49 HG12 VAL 7 2HG1 VAL 7 -7.530 -3.061 6.325 50 HG13 VAL 7 3HG1 VAL 7 -6.382 -3.884 7.383 51 HG21 VAL 7 3HG2 VAL 7 -7.614 -6.674 7.378 52 HG22 VAL 7 1HG2 VAL 7 -5.918 -6.246 7.150 53 HG23 VAL 7 2HG2 VAL 7 -6.750 -7.233 5.947 54 H TYR 8 H TYR 8 -10.770 -4.070 5.399 55 HA TYR 8 HA TYR 8 -10.831 -2.775 2.919 56 HB2 TYR 8 1HB TYR 8 -11.987 -1.595 5.462 57 HB3 TYR 8 2HB TYR 8 -12.580 -1.399 3.814 58 HD1 TYR 8 HD1 TYR 8 -12.853 -3.886 2.585 59 HD2 TYR 8 HD2 TYR 8 -13.337 -3.035 6.778 60 HE1 TYR 8 HE1 TYR 8 -14.261 -5.902 2.835 61 HE2 TYR 8 HE2 TYR 8 -14.763 -5.044 7.009 62 HH TYR 8 HH TYR 8 -16.237 -6.527 4.620 63 H VAL 9 H VAL 9 -9.889 -0.991 2.075 64 HA VAL 9 HA VAL 9 -7.565 0.078 3.008 65 HB VAL 9 HB VAL 9 -8.363 0.439 0.745 66 HG11 VAL 9 1HG1 VAL 9 -10.202 1.841 0.181 67 HG12 VAL 9 2HG1 VAL 9 -10.373 2.409 1.843 68 HG13 VAL 9 3HG1 VAL 9 -10.784 0.745 1.429 69 HG21 VAL 9 3HG2 VAL 9 -7.658 2.704 0.428 70 HG22 VAL 9 1HG2 VAL 9 -6.762 2.096 1.820 71 HG23 VAL 9 2HG2 VAL 9 -8.150 3.158 2.059 72 H MET 10 H MET 10 -7.066 2.215 3.817 73 HA MET 10 HA MET 10 -8.869 3.023 6.008 74 HB2 MET 10 1HB MET 10 -6.660 2.257 6.717 75 HB3 MET 10 2HB MET 10 -5.886 3.455 5.672 76 HG2 MET 10 1HG MET 10 -6.802 5.262 6.944 77 HG3 MET 10 2HG MET 10 -7.872 4.184 7.829 78 HE1 MET 10 3HE MET 10 -5.478 6.428 8.774 79 HE2 MET 10 1HE MET 10 -5.220 5.662 10.348 80 HE3 MET 10 2HE MET 10 -6.848 5.806 9.691 81 H SER 11 H SER 11 -6.436 4.599 3.894 82 HA SER 11 HA SER 11 -8.382 6.705 3.227 83 HB2 SER 11 1HB SER 11 -5.799 7.292 4.693 84 HB3 SER 11 2HB SER 11 -6.875 8.502 3.999 85 HG SER 11 HG SER 11 -8.534 7.428 5.362 86 H VAL 12 H VAL 12 -7.719 8.063 1.466 87 HA VAL 12 HA VAL 12 -5.407 7.064 -0.107 88 HB VAL 12 HB VAL 12 -8.028 8.155 -1.149 89 HG11 VAL 12 1HG1 VAL 12 -7.170 7.217 -3.302 90 HG12 VAL 12 2HG1 VAL 12 -5.652 6.835 -2.490 91 HG13 VAL 12 3HG1 VAL 12 -6.159 8.514 -2.667 92 HG21 VAL 12 3HG2 VAL 12 -8.556 5.846 -1.773 93 HG22 VAL 12 1HG2 VAL 12 -8.331 5.954 -0.033 94 HG23 VAL 12 2HG2 VAL 12 -7.054 5.284 -1.048 95 H LEU 13 H LEU 13 -3.986 8.622 0.344 96 HA LEU 13 HA LEU 13 -4.696 11.362 0.655 97 HB2 LEU 13 1HB LEU 13 -2.114 9.861 0.602 98 HB3 LEU 13 2HB LEU 13 -2.078 11.607 0.520 99 HG LEU 13 HG LEU 13 -1.864 10.672 2.846 100 HD11 LEU 13 1HD1 LEU 13 -4.445 12.248 2.737 101 HD12 LEU 13 2HD1 LEU 13 -2.930 12.995 2.237 102 HD13 LEU 13 3HD1 LEU 13 -3.108 12.369 3.869 103 HD21 LEU 13 3HD2 LEU 13 -4.800 9.962 2.582 104 HD22 LEU 13 1HD2 LEU 13 -3.711 9.588 3.915 105 HD23 LEU 13 2HD2 LEU 13 -3.516 8.773 2.365 106 HA PRO 14 HA PRO 14 -4.736 12.390 -3.685 107 HB2 PRO 14 1HB PRO 14 -4.608 15.137 -3.550 108 HB3 PRO 14 2HB PRO 14 -6.065 14.219 -3.119 109 HG2 PRO 14 1HG PRO 14 -3.943 15.336 -1.314 110 HG3 PRO 14 2HG PRO 14 -5.710 15.397 -1.136 111 HD2 PRO 14 1HD PRO 14 -4.201 13.584 0.213 112 HD3 PRO 14 2HD PRO 14 -5.843 13.190 -0.357 113 H ASN 15 H ASN 15 -2.115 13.307 -1.602 114 HA ASN 15 HA ASN 15 -0.347 13.925 -3.911 115 HB2 ASN 15 1HB ASN 15 -0.091 14.525 -0.953 116 HB3 ASN 15 2HB ASN 15 1.177 14.842 -2.137 117 HD21 ASN 15 2HD2 ASN 15 -0.199 16.909 -0.591 118 HD22 ASN 15 1HD2 ASN 15 -1.020 17.892 -1.704 119 H MET 16 H MET 16 -1.138 11.176 -3.201 120 HA MET 16 HA MET 16 1.511 10.129 -2.420 121 HB2 MET 16 1HB MET 16 -1.223 9.424 -1.509 122 HB3 MET 16 2HB MET 16 -0.201 8.037 -1.840 123 HG2 MET 16 1HG MET 16 -0.012 8.770 0.529 124 HG3 MET 16 2HG MET 16 1.522 8.904 -0.329 125 HE1 MET 16 3HE MET 16 2.952 10.920 0.430 126 HE2 MET 16 1HE MET 16 2.073 10.251 1.811 127 HE3 MET 16 2HE MET 16 2.212 11.996 1.612 128 HA PRO 17 HA PRO 17 1.668 7.909 -6.197 129 HB2 PRO 17 1HB PRO 17 2.458 5.341 -4.948 130 HB3 PRO 17 2HB PRO 17 3.429 6.444 -5.940 131 HG2 PRO 17 1HG PRO 17 3.834 6.121 -3.259 132 HG3 PRO 17 2HG PRO 17 4.177 7.639 -4.115 133 HD2 PRO 17 1HD PRO 17 1.804 6.930 -2.402 134 HD3 PRO 17 2HD PRO 17 2.717 8.440 -2.502 135 H ALA 18 H ALA 18 -0.451 6.668 -3.730 136 HA ALA 18 HA ALA 18 -1.600 4.563 -5.380 137 HB1 ALA 18 3HB ALA 18 -3.012 4.166 -3.459 138 HB2 ALA 18 1HB ALA 18 -2.556 5.712 -2.749 139 HB3 ALA 18 2HB ALA 18 -1.366 4.422 -2.893 140 H ALA 19 H ALA 19 -2.081 7.891 -4.897 141 HA ALA 19 HA ALA 19 -4.881 8.085 -5.416 142 HB1 ALA 19 3HB ALA 19 -3.783 10.000 -4.466 143 HB2 ALA 19 1HB ALA 19 -4.367 10.470 -6.058 144 HB3 ALA 19 2HB ALA 19 -2.659 10.100 -5.816 145 H GLY 20 H GLY 20 -6.030 8.174 -7.307 146 HA2 GLY 20 1HA GLY 20 -6.411 8.389 -9.590 147 HA3 GLY 20 2HA GLY 20 -4.677 8.454 -9.879 148 H ARG 21 H ARG 21 -4.547 5.983 -8.016 149 HA ARG 21 HA ARG 21 -5.202 3.943 -10.091 150 HB2 ARG 21 1HB ARG 21 -2.969 4.182 -8.067 151 HB3 ARG 21 2HB ARG 21 -3.350 2.645 -8.845 152 HG2 ARG 21 1HG ARG 21 -2.860 3.508 -11.024 153 HG3 ARG 21 2HG ARG 21 -2.818 5.173 -10.439 154 HD2 ARG 21 1HD ARG 21 -0.895 3.181 -9.263 155 HD3 ARG 21 2HD ARG 21 -0.551 3.868 -10.853 156 HE ARG 21 HE ARG 21 -1.219 5.805 -8.779 157 HH11 ARG 21 1HH2 ARG 21 1.244 4.032 -10.449 158 HH12 ARG 21 2HH2 ARG 21 2.508 5.147 -10.056 159 HH21 ARG 21 1HH1 ARG 21 0.437 7.285 -8.282 160 HH22 ARG 21 2HH1 ARG 21 2.051 6.988 -8.832 161 H LEU 22 H LEU 22 -5.303 4.763 -6.687 162 HA LEU 22 HA LEU 22 -7.156 2.495 -6.202 163 HB2 LEU 22 1HB LEU 22 -4.662 3.218 -4.846 164 HB3 LEU 22 2HB LEU 22 -5.988 3.176 -3.694 165 HG LEU 22 HG LEU 22 -5.475 0.904 -5.649 166 HD11 LEU 22 1HD1 LEU 22 -4.330 -0.242 -3.774 167 HD12 LEU 22 2HD1 LEU 22 -4.440 1.238 -2.820 168 HD13 LEU 22 3HD1 LEU 22 -3.457 1.204 -4.285 169 HD21 LEU 22 3HD2 LEU 22 -6.874 0.985 -2.951 170 HD22 LEU 22 1HD2 LEU 22 -6.823 -0.375 -4.065 171 HD23 LEU 22 2HD2 LEU 22 -7.715 1.078 -4.492 172 H GLU 23 H GLU 23 -8.808 2.821 -4.678 173 HA GLU 23 HA GLU 23 -9.397 5.643 -3.975 174 HB2 GLU 23 1HB GLU 23 -11.164 3.737 -5.517 175 HB3 GLU 23 2HB GLU 23 -11.782 5.179 -4.716 176 HG2 GLU 23 1HG GLU 23 -10.251 6.584 -6.053 177 HG3 GLU 23 2HG GLU 23 -9.588 5.147 -6.821 178 H ALA 24 H ALA 24 -10.865 5.902 -2.294 179 HA ALA 24 HA ALA 24 -10.617 4.136 -0.146 180 HB1 ALA 24 3HB ALA 24 -12.302 5.509 0.958 181 HB2 ALA 24 1HB ALA 24 -12.788 6.200 -0.590 182 HB3 ALA 24 2HB ALA 24 -11.190 6.548 0.068 183 H GLY 25 H GLY 25 -11.891 2.494 0.616 184 HA2 GLY 25 1HA GLY 25 -13.954 1.273 0.779 185 HA3 GLY 25 2HA GLY 25 -14.366 1.779 -0.856 186 H ASP 26 H ASP 26 -11.515 1.274 -1.711 187 HA ASP 26 HA ASP 26 -11.884 -1.411 -2.622 188 HB2 ASP 26 1HB ASP 26 -9.298 0.164 -2.590 189 HB3 ASP 26 2HB ASP 26 -9.715 -1.160 -3.652 190 H ARG 27 H ARG 27 -10.853 -3.329 -1.988 191 HA ARG 27 HA ARG 27 -9.610 -3.300 0.712 192 HB2 ARG 27 1HB ARG 27 -10.322 -5.653 0.858 193 HB3 ARG 27 2HB ARG 27 -11.689 -4.574 0.615 194 HG2 ARG 27 1HG ARG 27 -11.753 -5.130 -1.763 195 HG3 ARG 27 2HG ARG 27 -10.324 -6.149 -1.592 196 HD2 ARG 27 1HD ARG 27 -11.523 -7.615 -0.033 197 HD3 ARG 27 2HD ARG 27 -12.948 -6.593 -0.143 198 HE ARG 27 HE ARG 27 -13.389 -7.467 -2.277 199 HH11 ARG 27 1HH2 ARG 27 -10.292 -8.479 -1.091 200 HH12 ARG 27 2HH2 ARG 27 -10.061 -9.676 -2.318 201 HH21 ARG 27 1HH1 ARG 27 -13.083 -9.035 -3.889 202 HH22 ARG 27 2HH1 ARG 27 -11.640 -9.989 -3.904 203 H ILE 28 H ILE 28 -7.849 -4.658 1.104 204 HA ILE 28 HA ILE 28 -6.113 -5.053 -1.259 205 HB ILE 28 HB ILE 28 -5.293 -5.341 1.645 206 HG12 ILE 28 1HG1 ILE 28 -6.264 -3.134 1.468 207 HG13 ILE 28 2HG1 ILE 28 -4.515 -2.955 1.442 208 HG21 ILE 28 1HG2 ILE 28 -3.070 -4.790 0.717 209 HG22 ILE 28 2HG2 ILE 28 -3.776 -4.660 -0.896 210 HG23 ILE 28 3HG2 ILE 28 -3.749 -6.216 -0.071 211 HD11 ILE 28 3HD1 ILE 28 -5.284 -1.530 -0.295 212 HD12 ILE 28 1HD1 ILE 28 -6.458 -2.715 -0.862 213 HD13 ILE 28 2HD1 ILE 28 -4.736 -2.972 -1.144 214 H ALA 29 H ALA 29 -6.041 -6.977 -2.154 215 HA ALA 29 HA ALA 29 -6.910 -9.370 -0.684 216 HB1 ALA 29 3HB ALA 29 -6.727 -10.453 -2.919 217 HB2 ALA 29 1HB ALA 29 -6.182 -8.913 -3.586 218 HB3 ALA 29 2HB ALA 29 -7.805 -9.057 -2.911 219 H ALA 30 H ALA 30 -4.016 -7.768 -1.538 220 HA ALA 30 HA ALA 30 -2.302 -9.406 -0.111 221 HB1 ALA 30 3HB ALA 30 -2.751 -10.397 -2.908 222 HB2 ALA 30 1HB ALA 30 -2.474 -11.325 -1.435 223 HB3 ALA 30 2HB ALA 30 -1.125 -10.525 -2.235 224 H ILE 31 H ILE 31 0.006 -9.047 -0.566 225 HA ILE 31 HA ILE 31 0.585 -6.710 -2.272 226 HB ILE 31 HB ILE 31 1.409 -6.957 0.633 227 HG12 ILE 31 1HG1 ILE 31 -0.253 -4.879 -0.812 228 HG13 ILE 31 2HG1 ILE 31 -0.926 -6.164 0.179 229 HG21 ILE 31 1HG2 ILE 31 3.266 -6.035 -0.627 230 HG22 ILE 31 2HG2 ILE 31 2.465 -4.687 0.162 231 HG23 ILE 31 3HG2 ILE 31 2.190 -4.993 -1.550 232 HD11 ILE 31 3HD1 ILE 31 0.908 -3.945 1.100 233 HD12 ILE 31 1HD1 ILE 31 0.434 -5.316 2.096 234 HD13 ILE 31 2HD1 ILE 31 -0.784 -4.171 1.535 235 H ASP 32 H ASP 32 2.254 -7.047 -3.497 236 HA ASP 32 HA ASP 32 4.059 -8.106 -4.475 237 HB2 ASP 32 1HB ASP 32 5.080 -6.862 -2.545 238 HB3 ASP 32 2HB ASP 32 5.008 -8.355 -1.613 239 H GLY 33 H GLY 33 1.773 -9.789 -3.343 240 HA2 GLY 33 1HA GLY 33 1.416 -12.077 -3.929 241 HA3 GLY 33 2HA GLY 33 3.118 -12.408 -3.642 242 H GLN 34 H GLN 34 2.293 -10.507 -1.125 243 HA GLN 34 HA GLN 34 1.953 -12.795 0.656 244 HB2 GLN 34 1HB GLN 34 2.399 -9.887 1.339 245 HB3 GLN 34 2HB GLN 34 2.506 -11.255 2.447 246 HG2 GLN 34 1HG GLN 34 4.249 -10.860 -0.005 247 HG3 GLN 34 2HG GLN 34 4.745 -10.530 1.655 248 HE21 GLN 34 2HE2 GLN 34 4.154 -13.080 -0.693 249 HE22 GLN 34 1HE2 GLN 34 4.692 -14.360 0.282 250 HA PRO 35 HA PRO 35 -2.434 -11.651 0.987 251 HB2 PRO 35 1HB PRO 35 -3.291 -13.606 2.680 252 HB3 PRO 35 2HB PRO 35 -2.861 -13.955 0.993 253 HG2 PRO 35 1HG PRO 35 -1.226 -14.362 3.477 254 HG3 PRO 35 2HG PRO 35 -1.444 -15.449 2.090 255 HD2 PRO 35 1HD PRO 35 0.762 -13.819 2.388 256 HD3 PRO 35 2HD PRO 35 0.146 -14.333 0.797 257 H ILE 36 H ILE 36 -3.427 -10.181 2.272 258 HA ILE 36 HA ILE 36 -2.244 -9.565 4.912 259 HB ILE 36 HB ILE 36 -4.086 -7.881 3.216 260 HG12 ILE 36 1HG1 ILE 36 -2.059 -8.282 1.961 261 HG13 ILE 36 2HG1 ILE 36 -1.991 -6.652 2.601 262 HG21 ILE 36 1HG2 ILE 36 -2.259 -7.183 5.537 263 HG22 ILE 36 2HG2 ILE 36 -4.017 -7.281 5.624 264 HG23 ILE 36 3HG2 ILE 36 -3.256 -6.047 4.636 265 HD11 ILE 36 3HD1 ILE 36 -0.423 -9.083 3.427 266 HD12 ILE 36 1HD1 ILE 36 -0.668 -7.786 4.598 267 HD13 ILE 36 2HD1 ILE 36 0.160 -7.464 3.075 268 H ASN 37 H ASN 37 -3.193 -10.305 6.532 269 HA ASN 37 HA ASN 37 -6.153 -10.673 6.650 270 HB2 ASN 37 1HB ASN 37 -4.730 -12.685 7.083 271 HB3 ASN 37 2HB ASN 37 -4.053 -11.861 8.488 272 HD21 ASN 37 2HD2 ASN 37 -5.203 -13.974 9.454 273 HD22 ASN 37 1HD2 ASN 37 -6.802 -13.742 9.973 274 H THR 38 H THR 38 -3.496 -8.904 8.057 275 HA THR 38 HA THR 38 -5.392 -7.524 9.885 276 HB THR 38 HB THR 38 -3.671 -7.413 11.605 277 HG1 THR 38 HG1 THR 38 -2.030 -9.297 10.582 278 HG21 THR 38 3HG2 THR 38 -5.237 -9.368 11.513 279 HG22 THR 38 1HG2 THR 38 -3.707 -9.709 12.320 280 HG23 THR 38 2HG2 THR 38 -3.976 -10.269 10.669 281 H SER 39 H SER 39 -4.856 -5.381 10.391 282 HA SER 39 HA SER 39 -3.654 -3.910 8.253 283 HB2 SER 39 1HB SER 39 -5.517 -3.008 9.617 284 HB3 SER 39 2HB SER 39 -4.458 -2.987 11.026 285 HG SER 39 HG SER 39 -3.475 -1.283 10.256 286 H GLU 40 H GLU 40 -2.650 -5.031 11.430 287 HA GLU 40 HA GLU 40 -0.310 -3.494 11.716 288 HB2 GLU 40 1HB GLU 40 -1.413 -4.845 13.518 289 HB3 GLU 40 2HB GLU 40 -0.812 -6.303 12.731 290 HG2 GLU 40 1HG GLU 40 1.498 -5.512 12.994 291 HG3 GLU 40 2HG GLU 40 0.910 -4.029 13.742 292 H GLN 41 H GLN 41 -1.047 -6.349 9.831 293 HA GLN 41 HA GLN 41 1.607 -7.249 9.422 294 HB2 GLN 41 1HB GLN 41 -0.451 -8.563 8.883 295 HB3 GLN 41 2HB GLN 41 -0.737 -7.484 7.523 296 HG2 GLN 41 1HG GLN 41 1.386 -8.126 6.511 297 HG3 GLN 41 2HG GLN 41 1.787 -9.114 7.915 298 HE21 GLN 41 2HE2 GLN 41 1.602 -10.241 5.276 299 HE22 GLN 41 1HE2 GLN 41 0.274 -11.299 5.250 300 H ILE 42 H ILE 42 -0.313 -4.653 7.976 301 HA ILE 42 HA ILE 42 1.362 -4.237 5.712 302 HB ILE 42 HB ILE 42 -0.577 -2.393 7.123 303 HG12 ILE 42 1HG1 ILE 42 -1.620 -4.499 6.343 304 HG13 ILE 42 2HG1 ILE 42 -2.180 -3.121 5.400 305 HG21 ILE 42 1HG2 ILE 42 0.853 -1.059 5.732 306 HG22 ILE 42 2HG2 ILE 42 -0.653 -1.281 4.846 307 HG23 ILE 42 3HG2 ILE 42 0.767 -2.232 4.418 308 HD11 ILE 42 3HD1 ILE 42 -0.459 -5.414 4.580 309 HD12 ILE 42 1HD1 ILE 42 -0.115 -3.865 3.826 310 HD13 ILE 42 2HD1 ILE 42 -1.708 -4.567 3.680 311 H VAL 43 H VAL 43 1.411 -3.161 9.054 312 HA VAL 43 HA VAL 43 3.141 -0.923 8.705 313 HB VAL 43 HB VAL 43 2.649 -2.706 11.108 314 HG11 VAL 43 1HG1 VAL 43 3.920 0.033 10.836 315 HG12 VAL 43 2HG1 VAL 43 4.677 -1.433 11.460 316 HG13 VAL 43 3HG1 VAL 43 3.393 -0.647 12.374 317 HG21 VAL 43 3HG2 VAL 43 1.410 -0.046 10.331 318 HG22 VAL 43 1HG2 VAL 43 1.022 -0.998 11.763 319 HG23 VAL 43 2HG2 VAL 43 0.616 -1.612 10.160 320 H SER 44 H SER 44 3.664 -4.366 9.452 321 HA SER 44 HA SER 44 6.468 -4.155 9.851 322 HB2 SER 44 1HB SER 44 4.923 -6.562 8.855 323 HB3 SER 44 2HB SER 44 6.502 -6.566 9.638 324 HG SER 44 HG SER 44 5.527 -6.470 11.487 325 H TYR 45 H TYR 45 4.445 -4.797 7.041 326 HA TYR 45 HA TYR 45 6.420 -5.487 5.184 327 HB2 TYR 45 1HB TYR 45 3.988 -5.696 4.816 328 HB3 TYR 45 2HB TYR 45 3.862 -3.944 4.700 329 HD1 TYR 45 HD1 TYR 45 5.714 -6.851 3.246 330 HD2 TYR 45 HD2 TYR 45 4.115 -2.917 2.565 331 HE1 TYR 45 HE1 TYR 45 6.293 -7.031 0.844 332 HE2 TYR 45 HE2 TYR 45 4.683 -3.108 0.167 333 HH TYR 45 HH TYR 45 5.029 -5.292 -1.479 334 H VAL 46 H VAL 46 4.927 -2.250 5.596 335 HA VAL 46 HA VAL 46 6.614 -0.876 3.885 336 HB VAL 46 HB VAL 46 6.055 1.143 5.315 337 HG11 VAL 46 1HG1 VAL 46 3.630 1.062 4.824 338 HG12 VAL 46 2HG1 VAL 46 3.800 -0.656 4.452 339 HG13 VAL 46 3HG1 VAL 46 4.625 0.551 3.462 340 HG21 VAL 46 3HG2 VAL 46 4.344 0.776 7.084 341 HG22 VAL 46 1HG2 VAL 46 5.919 0.093 7.483 342 HG23 VAL 46 2HG2 VAL 46 4.629 -0.943 6.911 343 H ARG 47 H ARG 47 7.071 -1.674 7.292 344 HA ARG 47 HA ARG 47 9.451 -0.187 7.672 345 HB2 ARG 47 1HB ARG 47 7.772 -1.471 9.344 346 HB3 ARG 47 2HB ARG 47 9.003 -2.719 9.236 347 HG2 ARG 47 1HG ARG 47 9.440 0.171 10.065 348 HG3 ARG 47 2HG ARG 47 9.441 -1.225 11.138 349 HD2 ARG 47 1HD ARG 47 11.359 -2.141 9.657 350 HD3 ARG 47 2HD ARG 47 11.462 -0.505 9.007 351 HE ARG 47 HE ARG 47 12.431 0.172 10.996 352 HH11 ARG 47 1HH2 ARG 47 10.843 -2.882 11.365 353 HH12 ARG 47 2HH2 ARG 47 11.363 -3.116 12.999 354 HH21 ARG 47 1HH1 ARG 47 13.113 -0.123 13.150 355 HH22 ARG 47 2HH1 ARG 47 12.646 -1.552 14.009 356 H GLU 48 H GLU 48 8.852 -3.535 6.630 357 HA GLU 48 HA GLU 48 11.446 -4.537 6.682 358 HB2 GLU 48 1HB GLU 48 9.348 -5.824 6.122 359 HB3 GLU 48 2HB GLU 48 9.400 -5.100 4.518 360 HG2 GLU 48 1HG GLU 48 10.462 -7.249 4.339 361 HG3 GLU 48 2HG GLU 48 11.748 -6.053 4.270 362 H LYS 49 H LYS 49 9.806 -2.749 4.078 363 HA LYS 49 HA LYS 49 12.199 -2.670 2.428 364 HB2 LYS 49 1HB LYS 49 9.671 -1.054 1.989 365 HB3 LYS 49 2HB LYS 49 10.841 -1.591 0.799 366 HG2 LYS 49 1HG LYS 49 9.119 -3.512 2.410 367 HG3 LYS 49 2HG LYS 49 8.682 -2.907 0.826 368 HD2 LYS 49 1HD LYS 49 10.756 -3.845 -0.122 369 HD3 LYS 49 2HD LYS 49 11.186 -4.483 1.464 370 HE2 LYS 49 1HE LYS 49 9.163 -5.860 1.491 371 HE3 LYS 49 2HE LYS 49 8.690 -5.210 -0.081 372 HZ1 LYS 49 3HZ LYS 49 9.832 -6.940 -0.886 373 HZ2 LYS 49 1HZ LYS 49 10.669 -7.205 0.564 374 HZ3 LYS 49 2HZ LYS 49 11.217 -6.023 -0.526 375 H GLN 50 H GLN 50 12.375 -0.224 1.409 376 HA GLN 50 HA GLN 50 12.840 1.628 3.678 377 HB2 GLN 50 1HB GLN 50 14.945 0.501 3.049 378 HB3 GLN 50 2HB GLN 50 14.739 1.056 1.392 379 HG2 GLN 50 1HG GLN 50 15.075 3.331 1.981 380 HG3 GLN 50 2HG GLN 50 14.810 3.019 3.700 381 HE21 GLN 50 2HE2 GLN 50 16.799 3.414 4.689 382 HE22 GLN 50 1HE2 GLN 50 18.287 2.804 4.147 383 H ALA 51 H ALA 51 13.377 3.886 2.824 384 HA ALA 51 HA ALA 51 11.189 4.831 1.308 385 HB1 ALA 51 3HB ALA 51 13.786 6.014 2.305 386 HB2 ALA 51 1HB ALA 51 12.155 6.327 2.892 387 HB3 ALA 51 2HB ALA 51 12.677 6.972 1.330 388 H GLY 52 H GLY 52 11.012 5.268 -0.873 389 HA2 GLY 52 1HA GLY 52 11.741 5.715 -3.039 390 HA3 GLY 52 2HA GLY 52 13.390 5.311 -2.576 391 H ASP 53 H ASP 53 11.501 2.930 -1.288 392 HA ASP 53 HA ASP 53 12.370 0.981 -3.204 393 HB2 ASP 53 1HB ASP 53 12.129 0.513 -0.785 394 HB3 ASP 53 2HB ASP 53 10.390 0.671 -0.930 395 H ARG 54 H ARG 54 10.549 -0.743 -3.813 396 HA ARG 54 HA ARG 54 8.172 0.616 -4.964 397 HB2 ARG 54 1HB ARG 54 10.051 -1.219 -6.485 398 HB3 ARG 54 2HB ARG 54 8.547 -0.535 -7.101 399 HG2 ARG 54 1HG ARG 54 9.455 1.727 -6.806 400 HG3 ARG 54 2HG ARG 54 10.955 1.050 -6.188 401 HD2 ARG 54 1HD ARG 54 9.829 0.449 -8.938 402 HD3 ARG 54 2HD ARG 54 11.063 1.666 -8.621 403 HE ARG 54 HE ARG 54 11.944 -0.746 -7.502 404 HH11 ARG 54 1HH2 ARG 54 11.192 0.640 -10.590 405 HH12 ARG 54 2HH2 ARG 54 12.326 -0.340 -11.457 406 HH21 ARG 54 1HH1 ARG 54 13.430 -2.034 -8.639 407 HH22 ARG 54 2HH1 ARG 54 13.592 -1.854 -10.352 408 H VAL 55 H VAL 55 6.426 -0.504 -4.421 409 HA VAL 55 HA VAL 55 6.625 -3.449 -4.161 410 HB VAL 55 HB VAL 55 5.052 -3.255 -2.194 411 HG11 VAL 55 1HG1 VAL 55 6.860 -2.656 -0.624 412 HG12 VAL 55 2HG1 VAL 55 7.775 -1.943 -1.946 413 HG13 VAL 55 3HG1 VAL 55 7.467 -3.679 -1.924 414 HG21 VAL 55 3HG2 VAL 55 5.024 -1.064 -1.034 415 HG22 VAL 55 1HG2 VAL 55 4.265 -0.963 -2.619 416 HG23 VAL 55 2HG2 VAL 55 5.900 -0.344 -2.380 417 H ARG 56 H ARG 56 5.198 -4.526 -5.095 418 HA ARG 56 HA ARG 56 2.992 -3.292 -6.596 419 HB2 ARG 56 1HB ARG 56 3.946 -6.170 -6.476 420 HB3 ARG 56 2HB ARG 56 2.683 -5.567 -7.545 421 HG2 ARG 56 1HG ARG 56 5.472 -4.368 -7.565 422 HG3 ARG 56 2HG ARG 56 5.081 -5.785 -8.529 423 HD2 ARG 56 1HD ARG 56 3.212 -4.465 -9.599 424 HD3 ARG 56 2HD ARG 56 3.787 -3.043 -8.737 425 HE ARG 56 HE ARG 56 5.540 -2.885 -10.234 426 HH11 ARG 56 1HH2 ARG 56 4.102 -6.034 -10.370 427 HH12 ARG 56 2HH2 ARG 56 4.978 -6.524 -11.781 428 HH21 ARG 56 1HH1 ARG 56 6.693 -3.525 -12.085 429 HH22 ARG 56 2HH1 ARG 56 6.443 -5.102 -12.752 430 H VAL 57 H VAL 57 1.119 -3.028 -5.743 431 HA VAL 57 HA VAL 57 0.207 -4.725 -3.476 432 HB VAL 57 HB VAL 57 -0.535 -1.915 -4.322 433 HG11 VAL 57 1HG1 VAL 57 -1.768 -3.758 -2.252 434 HG12 VAL 57 2HG1 VAL 57 -2.584 -2.819 -3.498 435 HG13 VAL 57 3HG1 VAL 57 -1.881 -2.004 -2.102 436 HG21 VAL 57 3HG2 VAL 57 0.420 -1.353 -2.094 437 HG22 VAL 57 1HG2 VAL 57 1.609 -2.119 -3.147 438 HG23 VAL 57 2HG2 VAL 57 0.838 -3.046 -1.863 439 H THR 58 H THR 58 -1.589 -5.931 -3.642 440 HA THR 58 HA THR 58 -3.112 -5.871 -6.197 441 HB THR 58 HB THR 58 -3.022 -8.034 -4.068 442 HG1 THR 58 HG1 THR 58 -1.031 -8.073 -4.876 443 HG21 THR 58 3HG2 THR 58 -3.917 -9.425 -5.907 444 HG22 THR 58 1HG2 THR 58 -3.972 -7.999 -6.942 445 HG23 THR 58 2HG2 THR 58 -4.998 -8.091 -5.511 446 H PHE 59 H PHE 59 -5.230 -5.294 -6.172 447 HA PHE 59 HA PHE 59 -6.782 -5.427 -3.683 448 HB2 PHE 59 1HB PHE 59 -7.418 -3.123 -3.662 449 HB3 PHE 59 2HB PHE 59 -5.663 -3.140 -3.747 450 HD1 PHE 59 HD1 PHE 59 -4.483 -2.554 -5.861 451 HD2 PHE 59 HD2 PHE 59 -8.776 -2.384 -5.569 452 HE1 PHE 59 HE1 PHE 59 -4.589 -1.227 -7.955 453 HE2 PHE 59 HE2 PHE 59 -8.861 -1.051 -7.639 454 HZ PHE 59 HZ PHE 59 -6.771 -0.465 -8.837 455 H ILE 60 H ILE 60 -9.111 -5.338 -4.092 456 HA ILE 60 HA ILE 60 -9.827 -5.886 -6.907 457 HB ILE 60 HB ILE 60 -10.718 -6.950 -4.233 458 HG12 ILE 60 1HG1 ILE 60 -10.734 -9.069 -5.455 459 HG13 ILE 60 2HG1 ILE 60 -10.528 -8.213 -6.982 460 HG21 ILE 60 1HG2 ILE 60 -12.864 -6.156 -4.938 461 HG22 ILE 60 2HG2 ILE 60 -12.834 -7.855 -5.405 462 HG23 ILE 60 3HG2 ILE 60 -12.558 -6.602 -6.615 463 HD11 ILE 60 3HD1 ILE 60 -8.432 -9.278 -5.748 464 HD12 ILE 60 1HD1 ILE 60 -8.480 -7.784 -4.812 465 HD13 ILE 60 2HD1 ILE 60 -8.291 -7.726 -6.562 466 H ARG 61 H ARG 61 -11.372 -4.780 -7.886 467 HA ARG 61 HA ARG 61 -13.040 -2.882 -6.397 468 HB2 ARG 61 1HB ARG 61 -11.153 -1.530 -7.056 469 HB3 ARG 61 2HB ARG 61 -11.216 -2.147 -8.701 470 HG2 ARG 61 1HG ARG 61 -13.384 -1.081 -9.067 471 HG3 ARG 61 2HG ARG 61 -13.465 -0.601 -7.372 472 HD2 ARG 61 1HD ARG 61 -11.399 0.769 -7.724 473 HD3 ARG 61 2HD ARG 61 -11.469 0.356 -9.437 474 HE ARG 61 HE ARG 61 -13.232 1.850 -9.684 475 HH11 ARG 61 1HH2 ARG 61 -12.660 1.134 -6.346 476 HH12 ARG 61 2HH2 ARG 61 -13.794 2.303 -5.757 477 HH21 ARG 61 1HH1 ARG 61 -14.735 3.377 -8.917 478 HH22 ARG 61 2HH1 ARG 61 -14.970 3.570 -7.213 479 H ASP 62 H ASP 62 -15.017 -3.206 -6.957 480 HA ASP 62 HA ASP 62 -16.918 -3.901 -8.094 481 HB2 ASP 62 1HB ASP 62 -15.250 -2.837 -10.386 482 HB3 ASP 62 2HB ASP 62 -16.930 -3.329 -10.565 483 H ARG 63 H ARG 63 -15.047 -5.984 -7.517 484 HA ARG 63 HA ARG 63 -14.742 -8.172 -7.945 485 HB2 ARG 63 1HB ARG 63 -16.598 -7.862 -10.301 486 HB3 ARG 63 2HB ARG 63 -16.200 -9.334 -9.445 487 HG2 ARG 63 1HG ARG 63 -17.643 -6.967 -8.201 488 HG3 ARG 63 2HG ARG 63 -18.440 -8.409 -8.814 489 HD2 ARG 63 1HD ARG 63 -16.532 -8.211 -6.473 490 HD3 ARG 63 2HD ARG 63 -18.209 -8.725 -6.453 491 HE ARG 63 HE ARG 63 -15.925 -10.351 -7.137 492 HH11 ARG 63 1HH2 ARG 63 -19.309 -9.807 -7.593 493 HH12 ARG 63 2HH2 ARG 63 -19.655 -11.442 -8.048 494 HH21 ARG 63 1HH1 ARG 63 -16.366 -12.502 -7.745 495 HH22 ARG 63 2HH1 ARG 63 -17.988 -12.967 -8.135 496 H LYS 64 H LYS 64 -13.480 -5.803 -9.634 497 HA LYS 64 HA LYS 64 -12.135 -7.516 -11.648 498 HB2 LYS 64 1HB LYS 64 -12.186 -4.494 -11.489 499 HB3 LYS 64 2HB LYS 64 -11.540 -5.477 -12.801 500 HG2 LYS 64 1HG LYS 64 -13.900 -6.447 -13.055 501 HG3 LYS 64 2HG LYS 64 -14.437 -5.167 -11.970 502 HD2 LYS 64 1HD LYS 64 -12.949 -4.697 -14.568 503 HD3 LYS 64 2HD LYS 64 -14.695 -4.584 -14.385 504 HE2 LYS 64 1HE LYS 64 -14.265 -2.846 -12.560 505 HE3 LYS 64 2HE LYS 64 -12.587 -2.829 -13.100 506 HZ1 LYS 64 3HZ LYS 64 -14.788 -2.472 -15.023 507 HZ2 LYS 64 1HZ LYS 64 -13.166 -1.995 -15.157 508 HZ3 LYS 64 2HZ LYS 64 -14.214 -1.159 -14.113 509 H GLN 65 H GLN 65 -10.244 -8.248 -11.003 510 HA GLN 65 HA GLN 65 -8.784 -7.203 -8.794 511 HB2 GLN 65 1HB GLN 65 -8.039 -9.252 -10.897 512 HB3 GLN 65 2HB GLN 65 -7.104 -8.921 -9.439 513 HG2 GLN 65 1HG GLN 65 -8.972 -9.588 -8.043 514 HG3 GLN 65 2HG GLN 65 -9.998 -9.814 -9.451 515 HE21 GLN 65 2HE2 GLN 65 -9.621 -11.718 -10.778 516 HE22 GLN 65 1HE2 GLN 65 -8.632 -12.989 -10.241 517 H HIS 66 H HIS 66 -7.249 -5.677 -8.782 518 HA HIS 66 HA HIS 66 -5.681 -5.101 -11.217 519 HB2 HIS 66 1HB HIS 66 -7.196 -3.000 -9.658 520 HB3 HIS 66 2HB HIS 66 -6.028 -2.671 -10.936 521 HD1 HIS 66 HD1 HIS 66 -6.697 -3.735 -13.364 522 HD2 HIS 66 HD2 HIS 66 -9.731 -3.441 -10.543 523 HE1 HIS 66 HE1 HIS 66 -8.877 -3.943 -14.642 524 HE2 HIS 66 HE2 HIS 66 -10.746 -3.775 -12.929 525 H GLU 67 H GLU 67 -3.663 -4.528 -10.817 526 HA GLU 67 HA GLU 67 -2.643 -4.560 -8.095 527 HB2 GLU 67 1HB GLU 67 -1.268 -4.675 -10.785 528 HB3 GLU 67 2HB GLU 67 -0.413 -4.673 -9.243 529 HG2 GLU 67 1HG GLU 67 -1.558 -6.725 -8.569 530 HG3 GLU 67 2HG GLU 67 -2.496 -6.718 -10.060 531 H ALA 68 H ALA 68 -1.690 -2.891 -7.120 532 HA ALA 68 HA ALA 68 -1.687 -0.243 -8.454 533 HB1 ALA 68 3HB ALA 68 -2.376 -1.169 -5.695 534 HB2 ALA 68 1HB ALA 68 -3.126 0.096 -6.661 535 HB3 ALA 68 2HB ALA 68 -1.609 0.414 -5.825 536 H GLU 69 H GLU 69 0.195 0.436 -8.991 537 HA GLU 69 HA GLU 69 2.679 -0.580 -7.879 538 HB2 GLU 69 1HB GLU 69 3.647 1.328 -9.412 539 HB3 GLU 69 2HB GLU 69 2.902 -0.077 -10.175 540 HG2 GLU 69 1HG GLU 69 0.857 1.098 -10.569 541 HG3 GLU 69 2HG GLU 69 1.345 2.441 -9.544 542 H LEU 70 H LEU 70 3.045 -0.002 -5.864 543 HA LEU 70 HA LEU 70 2.848 2.860 -5.059 544 HB2 LEU 70 1HB LEU 70 1.996 0.386 -3.755 545 HB3 LEU 70 2HB LEU 70 3.048 1.289 -2.687 546 HG LEU 70 HG LEU 70 0.707 2.620 -4.102 547 HD11 LEU 70 1HD1 LEU 70 -0.544 2.300 -1.942 548 HD12 LEU 70 2HD1 LEU 70 0.713 1.169 -1.442 549 HD13 LEU 70 3HD1 LEU 70 -0.288 0.809 -2.847 550 HD21 LEU 70 3HD2 LEU 70 0.973 4.314 -2.410 551 HD22 LEU 70 1HD2 LEU 70 2.596 3.961 -2.992 552 HD23 LEU 70 2HD2 LEU 70 2.049 3.292 -1.460 553 H VAL 71 H VAL 71 4.448 3.819 -3.971 554 HA VAL 71 HA VAL 71 7.040 2.422 -3.730 555 HB VAL 71 HB VAL 71 8.161 4.437 -4.528 556 HG11 VAL 71 1HG1 VAL 71 7.386 2.627 -6.118 557 HG12 VAL 71 2HG1 VAL 71 7.614 4.205 -6.868 558 HG13 VAL 71 3HG1 VAL 71 5.990 3.634 -6.485 559 HG21 VAL 71 3HG2 VAL 71 6.774 6.233 -5.614 560 HG22 VAL 71 1HG2 VAL 71 6.574 6.159 -3.865 561 HG23 VAL 71 2HG2 VAL 71 5.351 5.469 -4.929 562 H LEU 72 H LEU 72 8.064 2.740 -1.889 563 HA LEU 72 HA LEU 72 6.747 3.921 0.326 564 HB2 LEU 72 1HB LEU 72 9.517 2.825 -0.155 565 HB3 LEU 72 2HB LEU 72 9.114 3.564 1.388 566 HG LEU 72 HG LEU 72 8.821 1.093 1.371 567 HD11 LEU 72 1HD1 LEU 72 6.003 2.071 1.684 568 HD12 LEU 72 2HD1 LEU 72 7.220 2.897 2.640 569 HD13 LEU 72 3HD1 LEU 72 7.018 1.168 2.798 570 HD21 LEU 72 3HD2 LEU 72 8.036 1.070 -1.084 571 HD22 LEU 72 1HD2 LEU 72 6.450 1.540 -0.466 572 HD23 LEU 72 2HD2 LEU 72 7.171 0.010 0.026 573 H LYS 73 H LYS 73 6.662 5.976 0.969 574 HA LYS 73 HA LYS 73 8.827 7.824 0.192 575 HB2 LYS 73 1HB LYS 73 6.860 8.086 -1.295 576 HB3 LYS 73 2HB LYS 73 5.884 8.472 0.123 577 HG2 LYS 73 1HG LYS 73 7.248 10.421 0.607 578 HG3 LYS 73 2HG LYS 73 8.383 9.997 -0.675 579 HD2 LYS 73 1HD LYS 73 6.682 10.338 -2.371 580 HD3 LYS 73 2HD LYS 73 5.453 10.613 -1.135 581 HE2 LYS 73 1HE LYS 73 6.544 12.641 -0.402 582 HE3 LYS 73 2HE LYS 73 7.933 12.328 -1.443 583 HZ1 LYS 73 3HZ LYS 73 5.317 12.404 -2.718 584 HZ2 LYS 73 1HZ LYS 73 6.819 12.954 -3.283 585 HZ3 LYS 73 2HZ LYS 73 5.941 13.885 -2.166 586 HA PRO 74 HA PRO 74 8.261 8.445 4.692 587 HB2 PRO 74 1HB PRO 74 10.520 9.867 5.199 588 HB3 PRO 74 2HB PRO 74 10.571 8.130 4.860 589 HG2 PRO 74 1HG PRO 74 11.137 10.436 3.029 590 HG3 PRO 74 2HG PRO 74 12.024 8.909 3.217 591 HD2 PRO 74 1HD PRO 74 10.205 9.350 1.197 592 HD3 PRO 74 2HD PRO 74 10.544 7.735 1.853 593 H PHE 75 H PHE 75 8.791 10.619 6.111 594 HA PHE 75 HA PHE 75 7.383 12.869 4.767 595 HB2 PHE 75 1HB PHE 75 6.922 11.651 7.490 596 HB3 PHE 75 2HB PHE 75 6.414 13.302 7.138 597 HD1 PHE 75 HD1 PHE 75 6.064 9.753 6.053 598 HD2 PHE 75 HD2 PHE 75 4.447 13.732 5.824 599 HE1 PHE 75 HE1 PHE 75 4.059 8.881 4.878 600 HE2 PHE 75 HE2 PHE 75 2.440 12.851 4.668 601 HZ PHE 75 HZ PHE 75 2.247 10.427 4.196 602 HA PRO 76 HA PRO 76 10.830 15.313 6.175 603 HB2 PRO 76 1HB PRO 76 9.716 17.837 6.203 604 HB3 PRO 76 2HB PRO 76 10.139 16.983 4.704 605 HG2 PRO 76 1HG PRO 76 7.463 17.243 6.038 606 HG3 PRO 76 2HG PRO 76 7.873 17.369 4.314 607 HD2 PRO 76 1HD PRO 76 6.803 15.093 5.387 608 HD3 PRO 76 2HD PRO 76 7.946 15.049 4.024 609 H HIS 77 H HIS 77 7.727 15.681 7.834 610 HA HIS 77 HA HIS 77 8.901 16.834 10.229 611 HB2 HIS 77 1HB HIS 77 6.119 15.735 9.751 612 HB3 HIS 77 2HB HIS 77 6.635 16.706 11.130 613 HD1 HIS 77 HD1 HIS 77 5.586 16.957 7.584 614 HD2 HIS 77 HD2 HIS 77 7.304 19.458 10.444 615 HE1 HIS 77 HE1 HIS 77 5.399 19.314 6.679 616 HE2 HIS 77 HE2 HIS 77 6.442 20.851 8.410 617 H HIS 78 H HIS 78 7.974 13.679 9.041 618 HA HIS 78 HA HIS 78 9.082 12.411 11.483 619 HB2 HIS 78 1HB HIS 78 6.530 11.572 10.093 620 HB3 HIS 78 2HB HIS 78 7.265 10.803 11.501 621 HD1 HIS 78 HD1 HIS 78 5.612 14.050 10.451 622 HD2 HIS 78 HD2 HIS 78 6.730 12.072 13.948 623 HE1 HIS 78 HE1 HIS 78 4.634 15.380 12.370 624 HE2 HIS 78 HE2 HIS 78 5.307 14.189 14.509 625 HA PRO 79 HA PRO 79 10.576 10.728 7.329 626 HB2 PRO 79 1HB PRO 79 13.300 10.976 7.848 627 HB3 PRO 79 2HB PRO 79 12.330 12.222 7.035 628 HG2 PRO 79 1HG PRO 79 13.152 12.048 9.914 629 HG3 PRO 79 2HG PRO 79 13.113 13.464 8.844 630 HD2 PRO 79 1HD PRO 79 11.158 13.015 10.672 631 HD3 PRO 79 2HD PRO 79 10.792 13.754 9.101 632 H ASN 80 H ASN 80 11.402 10.188 10.641 633 HA ASN 80 HA ASN 80 12.799 7.791 10.505 634 HB2 ASN 80 1HB ASN 80 12.512 9.071 12.587 635 HB3 ASN 80 2HB ASN 80 10.799 8.658 12.606 636 HD21 ASN 80 2HD2 ASN 80 14.019 7.032 12.506 637 HD22 ASN 80 1HD2 ASN 80 13.536 5.704 13.444 638 H GLN 81 H GLN 81 9.569 8.426 9.575 639 HA GLN 81 HA GLN 81 8.838 5.562 9.700 640 HB2 GLN 81 1HB GLN 81 7.182 8.097 9.690 641 HB3 GLN 81 2HB GLN 81 6.490 6.483 9.472 642 HG2 GLN 81 1HG GLN 81 7.440 5.781 11.643 643 HG3 GLN 81 2HG GLN 81 8.106 7.395 11.873 644 HE21 GLN 81 2HE2 GLN 81 6.555 7.015 13.908 645 HE22 GLN 81 1HE2 GLN 81 4.971 7.595 13.718 646 H ILE 82 H ILE 82 7.283 4.998 7.902 647 HA ILE 82 HA ILE 82 8.197 6.188 5.340 648 HB ILE 82 HB ILE 82 7.216 3.422 5.087 649 HG12 ILE 82 1HG1 ILE 82 8.131 3.190 7.385 650 HG13 ILE 82 2HG1 ILE 82 9.078 2.297 6.208 651 HG21 ILE 82 1HG2 ILE 82 9.292 3.162 3.834 652 HG22 ILE 82 2HG2 ILE 82 9.916 4.675 4.499 653 HG23 ILE 82 3HG2 ILE 82 8.539 4.702 3.411 654 HD11 ILE 82 3HD1 ILE 82 10.937 3.406 6.825 655 HD12 ILE 82 1HD1 ILE 82 10.006 4.257 8.054 656 HD13 ILE 82 2HD1 ILE 82 10.198 4.960 6.446 657 H GLY 83 H GLY 83 6.567 5.257 3.543 658 HA2 GLY 83 1HA GLY 83 4.313 6.811 3.608 659 HA3 GLY 83 2HA GLY 83 4.458 5.366 2.615 660 H LEU 84 H LEU 84 3.355 6.657 5.652 661 HA LEU 84 HA LEU 84 1.904 4.186 6.352 662 HB2 LEU 84 1HB LEU 84 1.679 5.081 8.552 663 HB3 LEU 84 2HB LEU 84 3.330 5.396 8.055 664 HG LEU 84 HG LEU 84 2.600 7.393 9.123 665 HD11 LEU 84 1HD1 LEU 84 3.787 7.744 6.963 666 HD12 LEU 84 2HD1 LEU 84 2.765 9.091 7.435 667 HD13 LEU 84 3HD1 LEU 84 2.227 7.986 6.184 668 HD21 LEU 84 3HD2 LEU 84 0.012 6.733 8.638 669 HD22 LEU 84 1HD2 LEU 84 0.211 7.986 7.411 670 HD23 LEU 84 2HD2 LEU 84 0.519 8.347 9.101 671 H GLY 85 H GLY 85 1.363 6.911 4.564 672 HA2 GLY 85 1HA GLY 85 -1.156 7.815 5.435 673 HA3 GLY 85 2HA GLY 85 -0.506 8.005 3.811 674 H VAL 86 H VAL 86 -0.211 5.151 3.372 675 HA VAL 86 HA VAL 86 -3.054 4.458 2.871 676 HB VAL 86 HB VAL 86 -0.559 3.453 1.481 677 HG11 VAL 86 1HG1 VAL 86 -2.248 2.739 -0.233 678 HG12 VAL 86 2HG1 VAL 86 -3.526 3.213 0.885 679 HG13 VAL 86 3HG1 VAL 86 -2.427 1.901 1.308 680 HG21 VAL 86 3HG2 VAL 86 -2.548 5.614 0.713 681 HG22 VAL 86 1HG2 VAL 86 -1.309 4.965 -0.362 682 HG23 VAL 86 2HG2 VAL 86 -0.841 5.850 1.089 683 H THR 87 H THR 87 -3.822 2.451 3.370 684 HA THR 87 HA THR 87 -2.098 0.697 5.040 685 HB THR 87 HB THR 87 -5.065 1.176 5.340 686 HG1 THR 87 HG1 THR 87 -3.091 1.960 7.173 687 HG21 THR 87 3HG2 THR 87 -4.655 -0.003 7.528 688 HG22 THR 87 1HG2 THR 87 -3.027 -0.377 6.961 689 HG23 THR 87 2HG2 THR 87 -4.428 -1.027 6.111 Start of MODEL 6 1 H1 MET 1 1H MET 1 -11.949 -12.565 13.740 2 H2 MET 1 2H MET 1 -12.004 -11.360 14.935 3 H3 MET 1 3H MET 1 -11.015 -11.161 13.569 4 HA MET 1 HA MET 1 -13.324 -11.474 12.337 5 HB2 MET 1 1HB MET 1 -13.956 -10.188 15.011 6 HB3 MET 1 2HB MET 1 -15.050 -10.248 13.632 7 HG2 MET 1 1HG MET 1 -15.706 -12.071 15.022 8 HG3 MET 1 2HG MET 1 -14.774 -12.809 13.721 9 HE1 MET 1 3HE MET 1 -15.309 -14.475 15.808 10 HE2 MET 1 1HE MET 1 -15.338 -13.481 17.272 11 HE3 MET 1 2HE MET 1 -14.140 -14.760 17.093 12 H ASN 2 H ASN 2 -10.917 -10.282 11.998 13 HA ASN 2 HA ASN 2 -11.058 -7.417 12.368 14 HB2 ASN 2 1HB ASN 2 -8.916 -8.656 12.437 15 HB3 ASN 2 2HB ASN 2 -9.128 -9.085 10.743 16 HD21 ASN 2 2HD2 ASN 2 -6.869 -7.581 11.550 17 HD22 ASN 2 1HD2 ASN 2 -7.007 -6.002 10.935 18 H GLU 3 H GLU 3 -13.206 -7.425 11.183 19 HA GLU 3 HA GLU 3 -14.387 -6.511 9.439 20 HB2 GLU 3 1HB GLU 3 -11.747 -6.362 7.946 21 HB3 GLU 3 2HB GLU 3 -13.246 -5.541 7.535 22 HG2 GLU 3 1HG GLU 3 -13.187 -4.223 9.544 23 HG3 GLU 3 2HG GLU 3 -11.834 -5.149 10.184 24 H ALA 4 H ALA 4 -13.904 -6.981 6.593 25 HA ALA 4 HA ALA 4 -15.172 -9.495 6.356 26 HB1 ALA 4 3HB ALA 4 -15.351 -7.417 4.845 27 HB2 ALA 4 1HB ALA 4 -15.295 -8.986 4.044 28 HB3 ALA 4 2HB ALA 4 -13.855 -7.976 4.108 29 H LYS 5 H LYS 5 -13.554 -9.990 3.788 30 HA LYS 5 HA LYS 5 -12.031 -12.150 4.739 31 HB2 LYS 5 1HB LYS 5 -11.986 -10.699 2.090 32 HB3 LYS 5 2HB LYS 5 -11.098 -12.184 2.398 33 HG2 LYS 5 1HG LYS 5 -13.191 -13.353 2.930 34 HG3 LYS 5 2HG LYS 5 -14.095 -11.862 2.699 35 HD2 LYS 5 1HD LYS 5 -14.350 -13.067 0.651 36 HD3 LYS 5 2HD LYS 5 -13.165 -11.816 0.309 37 HE2 LYS 5 1HE LYS 5 -11.346 -13.374 0.387 38 HE3 LYS 5 2HE LYS 5 -12.347 -14.617 1.132 39 HZ1 LYS 5 3HZ LYS 5 -13.552 -13.816 -1.258 40 HZ2 LYS 5 1HZ LYS 5 -12.885 -15.324 -0.873 41 HZ3 LYS 5 2HZ LYS 5 -11.916 -14.125 -1.581 42 H GLY 6 H GLY 6 -10.960 -8.955 3.504 43 HA2 GLY 6 1HA GLY 6 -8.312 -9.420 4.807 44 HA3 GLY 6 2HA GLY 6 -8.495 -8.584 3.274 45 H VAL 7 H VAL 7 -8.280 -6.471 3.442 46 HA VAL 7 HA VAL 7 -9.429 -5.045 5.767 47 HB VAL 7 HB VAL 7 -6.695 -4.505 4.579 48 HG11 VAL 7 1HG1 VAL 7 -6.542 -3.122 6.775 49 HG12 VAL 7 2HG1 VAL 7 -8.300 -3.252 6.832 50 HG13 VAL 7 3HG1 VAL 7 -7.514 -2.449 5.473 51 HG21 VAL 7 3HG2 VAL 7 -7.510 -5.828 7.188 52 HG22 VAL 7 1HG2 VAL 7 -5.858 -5.401 6.745 53 HG23 VAL 7 2HG2 VAL 7 -6.729 -6.626 5.822 54 H TYR 8 H TYR 8 -9.494 -2.640 5.332 55 HA TYR 8 HA TYR 8 -10.034 -2.023 2.483 56 HB2 TYR 8 1HB TYR 8 -11.741 -1.322 4.876 57 HB3 TYR 8 2HB TYR 8 -12.000 -0.726 3.238 58 HD1 TYR 8 HD1 TYR 8 -12.124 -3.698 5.432 59 HD2 TYR 8 HD2 TYR 8 -12.795 -2.222 1.449 60 HE1 TYR 8 HE1 TYR 8 -13.375 -5.764 4.870 61 HE2 TYR 8 HE2 TYR 8 -14.054 -4.277 0.905 62 HH TYR 8 HH TYR 8 -15.428 -6.072 2.482 63 H VAL 9 H VAL 9 -9.414 -0.034 1.801 64 HA VAL 9 HA VAL 9 -7.508 1.422 3.340 65 HB VAL 9 HB VAL 9 -8.947 2.157 0.768 66 HG11 VAL 9 1HG1 VAL 9 -6.899 3.615 0.439 67 HG12 VAL 9 2HG1 VAL 9 -6.489 3.299 2.124 68 HG13 VAL 9 3HG1 VAL 9 -7.976 4.152 1.727 69 HG21 VAL 9 3HG2 VAL 9 -7.712 0.072 0.552 70 HG22 VAL 9 1HG2 VAL 9 -6.300 0.789 1.323 71 HG23 VAL 9 2HG2 VAL 9 -6.813 1.346 -0.269 72 H MET 10 H MET 10 -7.872 3.109 4.802 73 HA MET 10 HA MET 10 -10.550 3.905 5.362 74 HB2 MET 10 1HB MET 10 -8.966 3.587 7.156 75 HB3 MET 10 2HB MET 10 -7.849 4.742 6.436 76 HG2 MET 10 1HG MET 10 -9.286 6.578 6.886 77 HG3 MET 10 2HG MET 10 -10.654 5.522 7.227 78 HE1 MET 10 3HE MET 10 -9.628 7.431 10.552 79 HE2 MET 10 1HE MET 10 -10.858 7.261 9.290 80 HE3 MET 10 2HE MET 10 -9.304 7.998 8.916 81 H SER 11 H SER 11 -7.633 5.861 4.620 82 HA SER 11 HA SER 11 -9.358 7.717 3.044 83 HB2 SER 11 1HB SER 11 -8.272 9.630 4.095 84 HB3 SER 11 2HB SER 11 -9.020 8.625 5.324 85 HG SER 11 HG SER 11 -6.665 7.630 5.081 86 H VAL 12 H VAL 12 -8.195 9.125 1.617 87 HA VAL 12 HA VAL 12 -5.570 8.083 0.707 88 HB VAL 12 HB VAL 12 -7.864 9.050 -1.029 89 HG11 VAL 12 1HG1 VAL 12 -6.356 8.212 -2.873 90 HG12 VAL 12 2HG1 VAL 12 -5.085 8.010 -1.669 91 HG13 VAL 12 3HG1 VAL 12 -5.716 9.617 -2.020 92 HG21 VAL 12 3HG2 VAL 12 -6.732 6.287 -0.468 93 HG22 VAL 12 1HG2 VAL 12 -7.785 6.643 -1.834 94 HG23 VAL 12 2HG2 VAL 12 -8.383 6.845 -0.189 95 H LEU 13 H LEU 13 -4.062 9.610 0.307 96 HA LEU 13 HA LEU 13 -4.870 12.416 0.801 97 HB2 LEU 13 1HB LEU 13 -2.282 10.953 1.211 98 HB3 LEU 13 2HB LEU 13 -2.408 12.703 1.315 99 HG LEU 13 HG LEU 13 -4.291 10.966 2.925 100 HD11 LEU 13 1HD1 LEU 13 -1.489 11.768 3.732 101 HD12 LEU 13 2HD1 LEU 13 -2.081 10.129 3.463 102 HD13 LEU 13 3HD1 LEU 13 -2.702 11.078 4.815 103 HD21 LEU 13 3HD2 LEU 13 -3.110 13.738 3.374 104 HD22 LEU 13 1HD2 LEU 13 -4.217 12.919 4.478 105 HD23 LEU 13 2HD2 LEU 13 -4.763 13.393 2.873 106 HA PRO 14 HA PRO 14 -3.669 13.465 -3.344 107 HB2 PRO 14 1HB PRO 14 -3.211 16.150 -3.086 108 HB3 PRO 14 2HB PRO 14 -4.849 15.456 -2.993 109 HG2 PRO 14 1HG PRO 14 -3.021 16.276 -0.754 110 HG3 PRO 14 2HG PRO 14 -4.763 16.571 -0.943 111 HD2 PRO 14 1HD PRO 14 -3.785 14.542 0.624 112 HD3 PRO 14 2HD PRO 14 -5.339 14.429 -0.236 113 H ASN 15 H ASN 15 -1.841 14.085 -4.609 114 HA ASN 15 HA ASN 15 0.376 14.207 -5.159 115 HB2 ASN 15 1HB ASN 15 0.869 15.185 -2.334 116 HB3 ASN 15 2HB ASN 15 1.857 15.468 -3.765 117 HD21 ASN 15 2HD2 ASN 15 -0.433 16.937 -1.818 118 HD22 ASN 15 1HD2 ASN 15 -1.050 18.055 -2.939 119 H MET 16 H MET 16 -0.788 11.787 -3.859 120 HA MET 16 HA MET 16 1.643 10.635 -2.620 121 HB2 MET 16 1HB MET 16 -1.272 10.209 -2.239 122 HB3 MET 16 2HB MET 16 -0.313 8.742 -2.166 123 HG2 MET 16 1HG MET 16 -0.587 9.827 0.070 124 HG3 MET 16 2HG MET 16 1.098 9.722 -0.413 125 HE1 MET 16 3HE MET 16 0.211 11.363 1.807 126 HE2 MET 16 1HE MET 16 0.723 13.043 1.601 127 HE3 MET 16 2HE MET 16 1.858 11.730 1.307 128 HA PRO 17 HA PRO 17 2.431 8.095 -6.077 129 HB2 PRO 17 1HB PRO 17 3.169 5.675 -4.916 130 HB3 PRO 17 2HB PRO 17 4.211 7.113 -4.994 131 HG2 PRO 17 1HG PRO 17 2.563 6.101 -2.708 132 HG3 PRO 17 2HG PRO 17 4.175 6.835 -2.683 133 HD2 PRO 17 1HD PRO 17 1.929 8.226 -2.019 134 HD3 PRO 17 2HD PRO 17 3.339 8.997 -2.773 135 H ALA 18 H ALA 18 -0.066 7.067 -3.861 136 HA ALA 18 HA ALA 18 -1.068 5.032 -5.764 137 HB1 ALA 18 3HB ALA 18 -2.435 5.524 -3.143 138 HB2 ALA 18 1HB ALA 18 -0.779 4.928 -3.062 139 HB3 ALA 18 2HB ALA 18 -2.006 3.995 -3.914 140 H ALA 19 H ALA 19 -1.554 8.178 -4.734 141 HA ALA 19 HA ALA 19 -4.340 8.540 -5.132 142 HB1 ALA 19 3HB ALA 19 -3.903 10.940 -5.455 143 HB2 ALA 19 1HB ALA 19 -2.176 10.618 -5.607 144 HB3 ALA 19 2HB ALA 19 -2.998 10.316 -4.077 145 H GLY 20 H GLY 20 -5.583 8.583 -6.926 146 HA2 GLY 20 1HA GLY 20 -6.076 9.090 -9.193 147 HA3 GLY 20 2HA GLY 20 -4.357 9.027 -9.576 148 H ARG 21 H ARG 21 -4.666 6.483 -7.642 149 HA ARG 21 HA ARG 21 -5.667 4.586 -9.697 150 HB2 ARG 21 1HB ARG 21 -3.006 4.563 -8.272 151 HB3 ARG 21 2HB ARG 21 -3.682 3.089 -8.961 152 HG2 ARG 21 1HG ARG 21 -3.480 5.563 -10.693 153 HG3 ARG 21 2HG ARG 21 -2.045 4.563 -10.425 154 HD2 ARG 21 1HD ARG 21 -3.199 2.604 -11.281 155 HD3 ARG 21 2HD ARG 21 -4.687 3.502 -11.463 156 HE ARG 21 HE ARG 21 -2.711 4.841 -12.929 157 HH11 ARG 21 1HH2 ARG 21 -4.382 1.800 -12.840 158 HH12 ARG 21 2HH2 ARG 21 -4.272 1.537 -14.557 159 HH21 ARG 21 1HH1 ARG 21 -2.569 4.506 -15.162 160 HH22 ARG 21 2HH1 ARG 21 -3.246 3.069 -15.870 161 H LEU 22 H LEU 22 -5.205 5.460 -6.440 162 HA LEU 22 HA LEU 22 -6.741 3.092 -5.514 163 HB2 LEU 22 1HB LEU 22 -4.251 4.248 -4.546 164 HB3 LEU 22 2HB LEU 22 -5.451 4.237 -3.254 165 HG LEU 22 HG LEU 22 -4.147 2.158 -3.298 166 HD11 LEU 22 1HD1 LEU 22 -6.908 2.383 -3.054 167 HD12 LEU 22 2HD1 LEU 22 -5.951 0.979 -2.596 168 HD13 LEU 22 3HD1 LEU 22 -6.736 1.030 -4.175 169 HD21 LEU 22 3HD2 LEU 22 -3.795 0.851 -5.146 170 HD22 LEU 22 1HD2 LEU 22 -4.098 2.346 -6.031 171 HD23 LEU 22 2HD2 LEU 22 -5.390 1.154 -5.830 172 H GLU 23 H GLU 23 -8.606 3.410 -4.472 173 HA GLU 23 HA GLU 23 -9.300 6.110 -3.535 174 HB2 GLU 23 1HB GLU 23 -10.887 4.307 -5.359 175 HB3 GLU 23 2HB GLU 23 -11.612 5.646 -4.469 176 HG2 GLU 23 1HG GLU 23 -10.029 7.219 -5.549 177 HG3 GLU 23 2HG GLU 23 -9.295 5.878 -6.423 178 H ALA 24 H ALA 24 -10.687 6.174 -1.861 179 HA ALA 24 HA ALA 24 -10.556 4.196 0.102 180 HB1 ALA 24 3HB ALA 24 -12.706 6.318 -0.219 181 HB2 ALA 24 1HB ALA 24 -11.148 6.565 0.568 182 HB3 ALA 24 2HB ALA 24 -12.321 5.449 1.264 183 H GLY 25 H GLY 25 -11.801 2.442 0.588 184 HA2 GLY 25 1HA GLY 25 -13.901 1.238 0.568 185 HA3 GLY 25 2HA GLY 25 -14.206 1.868 -1.052 186 H ASP 26 H ASP 26 -11.304 1.432 -1.768 187 HA ASP 26 HA ASP 26 -11.595 -1.159 -2.911 188 HB2 ASP 26 1HB ASP 26 -9.398 -0.853 -3.790 189 HB3 ASP 26 2HB ASP 26 -10.108 0.759 -3.717 190 H ARG 27 H ARG 27 -10.687 -3.151 -2.363 191 HA ARG 27 HA ARG 27 -9.651 -3.425 0.405 192 HB2 ARG 27 1HB ARG 27 -11.650 -4.675 0.280 193 HB3 ARG 27 2HB ARG 27 -11.319 -5.227 -1.354 194 HG2 ARG 27 1HG ARG 27 -9.618 -6.745 -0.580 195 HG3 ARG 27 2HG ARG 27 -9.627 -6.032 1.028 196 HD2 ARG 27 1HD ARG 27 -10.845 -8.151 1.004 197 HD3 ARG 27 2HD ARG 27 -11.939 -6.819 1.351 198 HE ARG 27 HE ARG 27 -11.870 -7.305 -1.441 199 HH11 ARG 27 1HH2 ARG 27 -12.966 -8.636 1.564 200 HH12 ARG 27 2HH2 ARG 27 -14.316 -9.474 0.858 201 HH21 ARG 27 1HH1 ARG 27 -13.632 -8.389 -2.373 202 HH22 ARG 27 2HH1 ARG 27 -14.692 -9.335 -1.367 203 H ILE 28 H ILE 28 -7.813 -4.523 0.783 204 HA ILE 28 HA ILE 28 -6.047 -4.984 -1.515 205 HB ILE 28 HB ILE 28 -5.319 -5.206 1.419 206 HG12 ILE 28 1HG1 ILE 28 -6.280 -3.006 1.153 207 HG13 ILE 28 2HG1 ILE 28 -4.530 -2.823 1.174 208 HG21 ILE 28 1HG2 ILE 28 -3.060 -4.683 0.554 209 HG22 ILE 28 2HG2 ILE 28 -3.713 -4.593 -1.084 210 HG23 ILE 28 3HG2 ILE 28 -3.717 -6.130 -0.218 211 HD11 ILE 28 3HD1 ILE 28 -4.695 -2.933 -1.426 212 HD12 ILE 28 1HD1 ILE 28 -5.230 -1.451 -0.629 213 HD13 ILE 28 2HD1 ILE 28 -6.415 -2.634 -1.180 214 H ALA 29 H ALA 29 -5.806 -6.930 -2.312 215 HA ALA 29 HA ALA 29 -6.785 -9.293 -0.835 216 HB1 ALA 29 3HB ALA 29 -6.360 -10.411 -3.104 217 HB2 ALA 29 1HB ALA 29 -6.057 -8.782 -3.718 218 HB3 ALA 29 2HB ALA 29 -7.631 -9.194 -3.044 219 H ALA 30 H ALA 30 -3.825 -7.774 -1.817 220 HA ALA 30 HA ALA 30 -2.183 -9.443 -0.270 221 HB1 ALA 30 3HB ALA 30 -2.535 -11.262 -1.777 222 HB2 ALA 30 1HB ALA 30 -0.956 -10.602 -2.195 223 HB3 ALA 30 2HB ALA 30 -2.365 -10.209 -3.178 224 H ILE 31 H ILE 31 0.019 -8.899 -0.372 225 HA ILE 31 HA ILE 31 0.750 -6.618 -2.111 226 HB ILE 31 HB ILE 31 1.351 -6.871 0.850 227 HG12 ILE 31 1HG1 ILE 31 -0.160 -4.757 -0.716 228 HG13 ILE 31 2HG1 ILE 31 -0.936 -6.044 0.208 229 HG21 ILE 31 1HG2 ILE 31 2.389 -4.962 -1.274 230 HG22 ILE 31 2HG2 ILE 31 3.327 -5.971 -0.181 231 HG23 ILE 31 3HG2 ILE 31 2.454 -4.578 0.448 232 HD11 ILE 31 3HD1 ILE 31 0.796 -3.801 1.270 233 HD12 ILE 31 1HD1 ILE 31 0.335 -5.197 2.236 234 HD13 ILE 31 2HD1 ILE 31 -0.907 -4.100 1.622 235 H ASP 32 H ASP 32 2.484 -6.994 -3.231 236 HA ASP 32 HA ASP 32 4.384 -7.992 -4.043 237 HB2 ASP 32 1HB ASP 32 5.235 -6.820 -1.975 238 HB3 ASP 32 2HB ASP 32 5.090 -8.350 -1.122 239 H GLY 33 H GLY 33 1.992 -9.686 -3.063 240 HA2 GLY 33 1HA GLY 33 1.662 -11.943 -3.799 241 HA3 GLY 33 2HA GLY 33 3.336 -12.300 -3.394 242 H GLN 34 H GLN 34 2.366 -10.476 -0.883 243 HA GLN 34 HA GLN 34 1.800 -12.831 0.773 244 HB2 GLN 34 1HB GLN 34 2.333 -9.988 1.642 245 HB3 GLN 34 2HB GLN 34 2.319 -11.429 2.657 246 HG2 GLN 34 1HG GLN 34 4.212 -10.980 0.333 247 HG3 GLN 34 2HG GLN 34 4.628 -10.764 2.027 248 HE21 GLN 34 2HE2 GLN 34 5.737 -12.758 0.051 249 HE22 GLN 34 1HE2 GLN 34 5.463 -14.283 0.751 250 HA PRO 35 HA PRO 35 -2.628 -11.580 0.576 251 HB2 PRO 35 1HB PRO 35 -2.856 -13.820 2.552 252 HB3 PRO 35 2HB PRO 35 -3.785 -13.542 1.060 253 HG2 PRO 35 1HG PRO 35 -1.909 -15.436 1.181 254 HG3 PRO 35 2HG PRO 35 -2.132 -14.461 -0.290 255 HD2 PRO 35 1HD PRO 35 0.006 -14.223 1.822 256 HD3 PRO 35 2HD PRO 35 0.114 -14.031 0.059 257 H ILE 36 H ILE 36 -3.668 -10.099 1.875 258 HA ILE 36 HA ILE 36 -2.524 -9.521 4.521 259 HB ILE 36 HB ILE 36 -4.549 -7.923 2.961 260 HG12 ILE 36 1HG1 ILE 36 -2.641 -8.123 1.527 261 HG13 ILE 36 2HG1 ILE 36 -2.541 -6.539 2.273 262 HG21 ILE 36 1HG2 ILE 36 -4.323 -7.364 5.357 263 HG22 ILE 36 2HG2 ILE 36 -3.698 -6.069 4.342 264 HG23 ILE 36 3HG2 ILE 36 -2.586 -7.173 5.144 265 HD11 ILE 36 3HD1 ILE 36 -0.344 -7.413 2.426 266 HD12 ILE 36 1HD1 ILE 36 -0.917 -9.007 2.882 267 HD13 ILE 36 2HD1 ILE 36 -1.020 -7.685 4.033 268 H ASN 37 H ASN 37 -3.387 -10.666 6.026 269 HA ASN 37 HA ASN 37 -6.316 -11.073 6.215 270 HB2 ASN 37 1HB ASN 37 -4.918 -13.101 6.382 271 HB3 ASN 37 2HB ASN 37 -4.110 -12.420 7.791 272 HD21 ASN 37 2HD2 ASN 37 -4.962 -13.348 9.667 273 HD22 ASN 37 1HD2 ASN 37 -6.606 -13.696 9.920 274 H THR 38 H THR 38 -3.665 -9.432 7.744 275 HA THR 38 HA THR 38 -5.544 -8.207 9.674 276 HB THR 38 HB THR 38 -4.212 -8.608 11.565 277 HG1 THR 38 HG1 THR 38 -2.264 -7.992 10.403 278 HG21 THR 38 3HG2 THR 38 -5.253 -10.712 10.651 279 HG22 THR 38 1HG2 THR 38 -3.827 -10.990 11.650 280 HG23 THR 38 2HG2 THR 38 -3.706 -11.082 9.893 281 H SER 39 H SER 39 -4.758 -6.219 10.596 282 HA SER 39 HA SER 39 -3.540 -4.515 8.666 283 HB2 SER 39 1HB SER 39 -4.269 -4.153 11.581 284 HB3 SER 39 2HB SER 39 -3.529 -2.871 10.631 285 HG SER 39 HG SER 39 -6.014 -4.184 10.260 286 H GLU 40 H GLU 40 -2.361 -6.520 11.221 287 HA GLU 40 HA GLU 40 0.110 -5.239 11.753 288 HB2 GLU 40 1HB GLU 40 -0.934 -6.978 13.201 289 HB3 GLU 40 2HB GLU 40 -0.567 -8.180 11.965 290 HG2 GLU 40 1HG GLU 40 1.822 -7.711 12.172 291 HG3 GLU 40 2HG GLU 40 1.488 -6.441 13.346 292 H GLN 41 H GLN 41 -0.966 -7.507 9.305 293 HA GLN 41 HA GLN 41 1.570 -8.298 8.362 294 HB2 GLN 41 1HB GLN 41 -1.087 -8.083 6.931 295 HB3 GLN 41 2HB GLN 41 0.345 -8.850 6.244 296 HG2 GLN 41 1HG GLN 41 -0.893 -9.671 8.886 297 HG3 GLN 41 2HG GLN 41 -1.252 -10.462 7.353 298 HE21 GLN 41 2HE2 GLN 41 0.545 -10.985 10.026 299 HE22 GLN 41 1HE2 GLN 41 1.897 -11.761 9.345 300 H ILE 42 H ILE 42 -0.359 -5.382 7.807 301 HA ILE 42 HA ILE 42 1.210 -4.435 5.607 302 HB ILE 42 HB ILE 42 -0.665 -2.979 7.483 303 HG12 ILE 42 1HG1 ILE 42 -1.796 -4.861 6.359 304 HG13 ILE 42 2HG1 ILE 42 -2.350 -3.331 5.687 305 HG21 ILE 42 1HG2 ILE 42 0.447 -2.282 4.765 306 HG22 ILE 42 2HG2 ILE 42 0.755 -1.426 6.277 307 HG23 ILE 42 3HG2 ILE 42 -0.853 -1.399 5.551 308 HD11 ILE 42 3HD1 ILE 42 -0.409 -3.757 3.929 309 HD12 ILE 42 1HD1 ILE 42 -1.964 -4.561 3.742 310 HD13 ILE 42 2HD1 ILE 42 -0.601 -5.426 4.447 311 H VAL 43 H VAL 43 1.372 -4.286 9.069 312 HA VAL 43 HA VAL 43 3.116 -2.030 9.278 313 HB VAL 43 HB VAL 43 2.636 -4.334 11.186 314 HG11 VAL 43 1HG1 VAL 43 4.731 -3.295 11.777 315 HG12 VAL 43 2HG1 VAL 43 3.516 -2.667 12.889 316 HG13 VAL 43 3HG1 VAL 43 4.064 -1.680 11.535 317 HG21 VAL 43 3HG2 VAL 43 0.647 -2.908 10.592 318 HG22 VAL 43 1HG2 VAL 43 1.528 -1.508 11.195 319 HG23 VAL 43 2HG2 VAL 43 1.091 -2.816 12.294 320 H SER 44 H SER 44 3.587 -5.537 9.110 321 HA SER 44 HA SER 44 6.403 -5.506 9.448 322 HB2 SER 44 1HB SER 44 6.317 -7.759 8.395 323 HB3 SER 44 2HB SER 44 5.171 -7.569 9.712 324 HG SER 44 HG SER 44 4.102 -6.765 7.366 325 H TYR 45 H TYR 45 4.313 -5.305 6.637 326 HA TYR 45 HA TYR 45 6.261 -5.505 4.632 327 HB2 TYR 45 1HB TYR 45 4.171 -5.576 3.645 328 HB3 TYR 45 2HB TYR 45 3.478 -4.497 4.844 329 HD1 TYR 45 HD1 TYR 45 6.232 -4.179 2.309 330 HD2 TYR 45 HD2 TYR 45 2.571 -2.553 3.846 331 HE1 TYR 45 HE1 TYR 45 6.394 -2.286 0.724 332 HE2 TYR 45 HE2 TYR 45 2.728 -0.674 2.250 333 HH TYR 45 HH TYR 45 4.188 -0.573 -0.305 334 H VAL 46 H VAL 46 4.868 -2.486 6.017 335 HA VAL 46 HA VAL 46 6.531 -0.728 4.658 336 HB VAL 46 HB VAL 46 5.344 -0.472 7.436 337 HG11 VAL 46 1HG1 VAL 46 6.531 1.606 5.589 338 HG12 VAL 46 2HG1 VAL 46 7.076 1.193 7.215 339 HG13 VAL 46 3HG1 VAL 46 5.523 1.994 6.982 340 HG21 VAL 46 3HG2 VAL 46 4.368 0.535 4.745 341 HG22 VAL 46 1HG2 VAL 46 3.553 0.752 6.292 342 HG23 VAL 46 2HG2 VAL 46 3.712 -0.861 5.598 343 H ARG 47 H ARG 47 7.047 -2.348 7.751 344 HA ARG 47 HA ARG 47 9.583 -1.155 8.266 345 HB2 ARG 47 1HB ARG 47 8.139 -2.127 10.023 346 HB3 ARG 47 2HB ARG 47 8.433 -3.727 9.354 347 HG2 ARG 47 1HG ARG 47 9.927 -3.403 11.223 348 HG3 ARG 47 2HG ARG 47 10.888 -3.407 9.760 349 HD2 ARG 47 1HD ARG 47 11.297 -1.068 9.869 350 HD3 ARG 47 2HD ARG 47 9.906 -0.794 10.941 351 HE ARG 47 HE ARG 47 11.574 -2.477 12.335 352 HH11 ARG 47 1HH2 ARG 47 11.839 0.653 10.845 353 HH12 ARG 47 2HH2 ARG 47 13.037 1.219 11.972 354 HH21 ARG 47 1HH1 ARG 47 13.113 -1.751 13.777 355 HH22 ARG 47 2HH1 ARG 47 13.757 -0.142 13.631 356 H GLU 48 H GLU 48 8.532 -4.106 6.611 357 HA GLU 48 HA GLU 48 10.932 -5.488 6.431 358 HB2 GLU 48 1HB GLU 48 8.733 -6.349 5.597 359 HB3 GLU 48 2HB GLU 48 8.866 -5.256 4.225 360 HG2 GLU 48 1HG GLU 48 10.931 -6.370 3.510 361 HG3 GLU 48 2HG GLU 48 10.874 -7.416 4.921 362 H LYS 49 H LYS 49 9.604 -3.324 3.899 363 HA LYS 49 HA LYS 49 12.226 -3.068 2.673 364 HB2 LYS 49 1HB LYS 49 9.598 -1.766 1.972 365 HB3 LYS 49 2HB LYS 49 11.027 -1.853 0.964 366 HG2 LYS 49 1HG LYS 49 9.770 -4.418 1.969 367 HG3 LYS 49 2HG LYS 49 9.043 -3.594 0.600 368 HD2 LYS 49 1HD LYS 49 11.030 -3.784 -0.712 369 HD3 LYS 49 2HD LYS 49 11.986 -4.289 0.681 370 HE2 LYS 49 1HE LYS 49 11.367 -6.185 -0.810 371 HE3 LYS 49 2HE LYS 49 10.740 -6.375 0.827 372 HZ1 LYS 49 3HZ LYS 49 8.708 -6.472 0.000 373 HZ2 LYS 49 1HZ LYS 49 9.311 -6.286 -1.573 374 HZ3 LYS 49 2HZ LYS 49 8.882 -4.917 -0.674 375 H GLN 50 H GLN 50 12.271 -0.528 1.751 376 HA GLN 50 HA GLN 50 12.270 1.221 4.133 377 HB2 GLN 50 1HB GLN 50 14.472 2.113 3.385 378 HB3 GLN 50 2HB GLN 50 14.536 0.419 3.862 379 HG2 GLN 50 1HG GLN 50 14.378 -0.258 1.495 380 HG3 GLN 50 2HG GLN 50 14.315 1.433 1.014 381 HE21 GLN 50 2HE2 GLN 50 16.344 1.736 0.004 382 HE22 GLN 50 1HE2 GLN 50 17.832 1.408 0.755 383 H ALA 51 H ALA 51 12.898 3.502 3.409 384 HA ALA 51 HA ALA 51 10.768 4.503 1.830 385 HB1 ALA 51 3HB ALA 51 11.943 6.676 1.967 386 HB2 ALA 51 1HB ALA 51 13.363 5.864 2.619 387 HB3 ALA 51 2HB ALA 51 11.862 5.886 3.539 388 H GLY 52 H GLY 52 10.597 4.944 -0.329 389 HA2 GLY 52 1HA GLY 52 11.336 5.434 -2.503 390 HA3 GLY 52 2HA GLY 52 12.976 4.984 -2.044 391 H ASP 53 H ASP 53 11.047 2.627 -0.814 392 HA ASP 53 HA ASP 53 11.905 0.665 -2.692 393 HB2 ASP 53 1HB ASP 53 11.538 0.123 -0.346 394 HB3 ASP 53 2HB ASP 53 9.829 0.497 -0.506 395 H ARG 54 H ARG 54 10.301 -0.932 -3.656 396 HA ARG 54 HA ARG 54 7.837 0.349 -4.670 397 HB2 ARG 54 1HB ARG 54 9.866 -1.028 -6.452 398 HB3 ARG 54 2HB ARG 54 8.356 -0.267 -6.958 399 HG2 ARG 54 1HG ARG 54 9.212 1.904 -6.115 400 HG3 ARG 54 2HG ARG 54 10.735 1.116 -5.713 401 HD2 ARG 54 1HD ARG 54 10.989 2.186 -7.875 402 HD3 ARG 54 2HD ARG 54 10.954 0.444 -8.124 403 HE ARG 54 HE ARG 54 8.326 1.470 -8.313 404 HH11 ARG 54 1HH2 ARG 54 11.377 1.466 -9.967 405 HH12 ARG 54 2HH2 ARG 54 10.670 1.662 -11.544 406 HH21 ARG 54 1HH1 ARG 54 7.402 1.725 -10.367 407 HH22 ARG 54 2HH1 ARG 54 8.427 1.808 -11.772 408 H VAL 55 H VAL 55 6.259 -1.001 -4.199 409 HA VAL 55 HA VAL 55 6.703 -3.923 -4.532 410 HB VAL 55 HB VAL 55 5.078 -4.209 -2.563 411 HG11 VAL 55 1HG1 VAL 55 6.880 -3.925 -0.904 412 HG12 VAL 55 2HG1 VAL 55 7.785 -2.956 -2.065 413 HG13 VAL 55 3HG1 VAL 55 7.482 -4.658 -2.392 414 HG21 VAL 55 3HG2 VAL 55 4.758 -2.351 -1.085 415 HG22 VAL 55 1HG2 VAL 55 4.389 -1.740 -2.688 416 HG23 VAL 55 2HG2 VAL 55 5.940 -1.363 -1.942 417 H ARG 56 H ARG 56 5.261 -4.998 -5.553 418 HA ARG 56 HA ARG 56 3.101 -3.697 -6.990 419 HB2 ARG 56 1HB ARG 56 3.788 -6.645 -6.812 420 HB3 ARG 56 2HB ARG 56 2.766 -5.875 -8.025 421 HG2 ARG 56 1HG ARG 56 5.697 -5.215 -7.623 422 HG3 ARG 56 2HG ARG 56 5.102 -6.351 -8.833 423 HD2 ARG 56 1HD ARG 56 3.650 -4.447 -9.715 424 HD3 ARG 56 2HD ARG 56 4.569 -3.374 -8.677 425 HE ARG 56 HE ARG 56 5.526 -4.709 -11.084 426 HH11 ARG 56 1HH2 ARG 56 6.290 -2.942 -8.191 427 HH12 ARG 56 2HH2 ARG 56 7.821 -2.378 -8.787 428 HH21 ARG 56 1HH1 ARG 56 7.506 -3.972 -11.859 429 HH22 ARG 56 2HH1 ARG 56 8.512 -2.962 -10.861 430 H VAL 57 H VAL 57 1.401 -3.110 -5.816 431 HA VAL 57 HA VAL 57 0.385 -4.871 -3.697 432 HB VAL 57 HB VAL 57 -0.293 -2.036 -4.517 433 HG11 VAL 57 1HG1 VAL 57 -1.575 -2.106 -2.258 434 HG12 VAL 57 2HG1 VAL 57 -1.512 -3.859 -2.427 435 HG13 VAL 57 3HG1 VAL 57 -2.337 -2.891 -3.644 436 HG21 VAL 57 3HG2 VAL 57 0.788 -1.478 -2.377 437 HG22 VAL 57 1HG2 VAL 57 1.898 -2.393 -3.399 438 HG23 VAL 57 2HG2 VAL 57 1.065 -3.188 -2.064 439 H THR 58 H THR 58 -1.477 -5.972 -3.822 440 HA THR 58 HA THR 58 -2.994 -5.884 -6.376 441 HB THR 58 HB THR 58 -3.018 -8.046 -4.246 442 HG1 THR 58 HG1 THR 58 -0.972 -7.966 -5.078 443 HG21 THR 58 3HG2 THR 58 -3.918 -7.964 -7.139 444 HG22 THR 58 1HG2 THR 58 -4.967 -8.048 -5.727 445 HG23 THR 58 2HG2 THR 58 -3.918 -9.409 -6.128 446 H PHE 59 H PHE 59 -5.179 -5.398 -6.363 447 HA PHE 59 HA PHE 59 -6.654 -5.377 -3.839 448 HB2 PHE 59 1HB PHE 59 -7.265 -3.077 -3.902 449 HB3 PHE 59 2HB PHE 59 -5.518 -3.103 -4.103 450 HD1 PHE 59 HD2 PHE 59 -4.485 -2.670 -6.341 451 HD2 PHE 59 HD1 PHE 59 -8.745 -2.407 -5.754 452 HE1 PHE 59 HE2 PHE 59 -4.727 -1.452 -8.492 453 HE2 PHE 59 HE1 PHE 59 -8.952 -1.191 -7.886 454 HZ PHE 59 HZ PHE 59 -6.954 -0.699 -9.250 455 H ILE 60 H ILE 60 -8.944 -5.376 -4.171 456 HA ILE 60 HA ILE 60 -9.772 -6.149 -6.890 457 HB ILE 60 HB ILE 60 -10.621 -6.914 -4.119 458 HG12 ILE 60 1HG1 ILE 60 -10.739 -9.134 -5.125 459 HG13 ILE 60 2HG1 ILE 60 -10.574 -8.433 -6.735 460 HG21 ILE 60 1HG2 ILE 60 -12.773 -6.115 -4.838 461 HG22 ILE 60 2HG2 ILE 60 -12.802 -7.860 -5.081 462 HG23 ILE 60 3HG2 ILE 60 -12.553 -6.783 -6.456 463 HD11 ILE 60 3HD1 ILE 60 -8.307 -8.023 -6.481 464 HD12 ILE 60 1HD1 ILE 60 -8.458 -9.445 -5.447 465 HD13 ILE 60 2HD1 ILE 60 -8.418 -7.830 -4.733 466 H ARG 61 H ARG 61 -11.277 -5.166 -7.967 467 HA ARG 61 HA ARG 61 -13.018 -3.168 -6.749 468 HB2 ARG 61 1HB ARG 61 -11.185 -1.813 -7.438 469 HB3 ARG 61 2HB ARG 61 -11.091 -2.597 -9.007 470 HG2 ARG 61 1HG ARG 61 -13.238 -1.651 -9.667 471 HG3 ARG 61 2HG ARG 61 -13.505 -1.027 -8.043 472 HD2 ARG 61 1HD ARG 61 -11.214 -0.209 -9.834 473 HD3 ARG 61 2HD ARG 61 -12.701 0.722 -9.629 474 HE ARG 61 HE ARG 61 -10.516 0.511 -7.744 475 HH11 ARG 61 1HH2 ARG 61 -13.900 1.094 -8.199 476 HH12 ARG 61 2HH2 ARG 61 -14.083 1.996 -6.726 477 HH21 ARG 61 1HH1 ARG 61 -10.749 1.663 -5.803 478 HH22 ARG 61 2HH1 ARG 61 -12.303 2.318 -5.368 479 H ASP 62 H ASP 62 -14.959 -3.684 -7.269 480 HA ASP 62 HA ASP 62 -16.807 -4.574 -8.381 481 HB2 ASP 62 1HB ASP 62 -15.197 -3.449 -10.695 482 HB3 ASP 62 2HB ASP 62 -16.835 -4.070 -10.877 483 H ARG 63 H ARG 63 -14.963 -6.528 -7.673 484 HA ARG 63 HA ARG 63 -14.485 -8.695 -8.075 485 HB2 ARG 63 1HB ARG 63 -16.914 -8.534 -9.027 486 HB3 ARG 63 2HB ARG 63 -16.130 -8.659 -10.598 487 HG2 ARG 63 1HG ARG 63 -16.463 -10.942 -10.156 488 HG3 ARG 63 2HG ARG 63 -14.875 -10.739 -9.424 489 HD2 ARG 63 1HD ARG 63 -16.029 -10.276 -7.235 490 HD3 ARG 63 2HD ARG 63 -17.547 -10.720 -8.006 491 HE ARG 63 HE ARG 63 -15.423 -12.516 -7.201 492 HH11 ARG 63 1HH2 ARG 63 -18.127 -11.970 -9.285 493 HH12 ARG 63 2HH2 ARG 63 -18.449 -13.658 -9.543 494 HH21 ARG 63 1HH1 ARG 63 -15.816 -14.722 -7.536 495 HH22 ARG 63 2HH1 ARG 63 -17.137 -15.218 -8.551 496 H LYS 64 H LYS 64 -13.278 -6.284 -9.783 497 HA LYS 64 HA LYS 64 -11.755 -7.975 -11.692 498 HB2 LYS 64 1HB LYS 64 -12.136 -4.975 -11.703 499 HB3 LYS 64 2HB LYS 64 -11.282 -5.916 -12.915 500 HG2 LYS 64 1HG LYS 64 -13.451 -7.171 -13.325 501 HG3 LYS 64 2HG LYS 64 -14.240 -5.992 -12.289 502 HD2 LYS 64 1HD LYS 64 -12.736 -5.393 -14.839 503 HD3 LYS 64 2HD LYS 64 -14.479 -5.328 -14.622 504 HE2 LYS 64 1HE LYS 64 -13.873 -3.061 -14.389 505 HE3 LYS 64 2HE LYS 64 -13.902 -3.592 -12.709 506 HZ1 LYS 64 3HZ LYS 64 -11.758 -2.541 -14.142 507 HZ2 LYS 64 1HZ LYS 64 -11.388 -4.164 -13.821 508 HZ3 LYS 64 2HZ LYS 64 -11.764 -3.112 -12.540 509 H GLN 65 H GLN 65 -9.867 -8.549 -10.859 510 HA GLN 65 HA GLN 65 -8.568 -7.141 -8.745 511 HB2 GLN 65 1HB GLN 65 -7.391 -9.313 -10.502 512 HB3 GLN 65 2HB GLN 65 -6.923 -8.881 -8.862 513 HG2 GLN 65 1HG GLN 65 -9.130 -9.604 -8.046 514 HG3 GLN 65 2HG GLN 65 -9.600 -10.041 -9.678 515 HE21 GLN 65 2HE2 GLN 65 -8.383 -11.308 -6.828 516 HE22 GLN 65 1HE2 GLN 65 -7.636 -12.700 -7.457 517 H HIS 66 H HIS 66 -6.662 -5.960 -8.838 518 HA HIS 66 HA HIS 66 -5.249 -5.504 -11.332 519 HB2 HIS 66 1HB HIS 66 -6.732 -3.255 -9.976 520 HB3 HIS 66 2HB HIS 66 -5.556 -3.048 -11.268 521 HD1 HIS 66 HD1 HIS 66 -6.225 -4.198 -13.617 522 HD2 HIS 66 HD2 HIS 66 -9.254 -3.874 -10.795 523 HE1 HIS 66 HE1 HIS 66 -8.398 -4.544 -14.874 524 HE2 HIS 66 HE2 HIS 66 -10.267 -4.351 -13.162 525 H GLU 67 H GLU 67 -3.211 -4.848 -11.009 526 HA GLU 67 HA GLU 67 -2.175 -4.764 -8.296 527 HB2 GLU 67 1HB GLU 67 -0.807 -4.907 -10.991 528 HB3 GLU 67 2HB GLU 67 0.053 -4.841 -9.456 529 HG2 GLU 67 1HG GLU 67 -1.091 -6.890 -8.721 530 HG3 GLU 67 2HG GLU 67 -1.944 -6.967 -10.262 531 H ALA 68 H ALA 68 -1.594 -2.956 -7.307 532 HA ALA 68 HA ALA 68 -1.471 -0.404 -8.794 533 HB1 ALA 68 3HB ALA 68 -1.931 0.657 -6.646 534 HB2 ALA 68 1HB ALA 68 -1.902 -0.913 -5.845 535 HB3 ALA 68 2HB ALA 68 -3.166 -0.542 -7.011 536 H GLU 69 H GLU 69 0.364 0.478 -9.057 537 HA GLU 69 HA GLU 69 2.808 -0.509 -7.848 538 HB2 GLU 69 1HB GLU 69 2.636 0.319 -10.249 539 HB3 GLU 69 2HB GLU 69 2.520 1.950 -9.597 540 HG2 GLU 69 1HG GLU 69 4.840 1.585 -10.124 541 HG3 GLU 69 2HG GLU 69 4.709 1.511 -8.369 542 H LEU 70 H LEU 70 2.948 -0.021 -5.747 543 HA LEU 70 HA LEU 70 2.733 2.823 -4.868 544 HB2 LEU 70 1HB LEU 70 1.964 0.246 -3.557 545 HB3 LEU 70 2HB LEU 70 2.536 1.535 -2.509 546 HG LEU 70 HG LEU 70 0.823 3.046 -3.424 547 HD11 LEU 70 1HD1 LEU 70 0.195 0.682 -5.200 548 HD12 LEU 70 2HD1 LEU 70 0.439 2.373 -5.638 549 HD13 LEU 70 3HD1 LEU 70 -1.043 1.887 -4.821 550 HD21 LEU 70 3HD2 LEU 70 0.372 1.444 -1.464 551 HD22 LEU 70 1HD2 LEU 70 -0.539 0.462 -2.615 552 HD23 LEU 70 2HD2 LEU 70 -1.045 2.112 -2.271 553 H VAL 71 H VAL 71 4.224 3.651 -3.503 554 HA VAL 71 HA VAL 71 6.708 2.146 -3.021 555 HB VAL 71 HB VAL 71 8.075 3.912 -3.864 556 HG11 VAL 71 1HG1 VAL 71 5.819 3.650 -5.870 557 HG12 VAL 71 2HG1 VAL 71 6.951 2.348 -5.531 558 HG13 VAL 71 3HG1 VAL 71 7.538 3.865 -6.202 559 HG21 VAL 71 3HG2 VAL 71 6.948 5.901 -3.154 560 HG22 VAL 71 1HG2 VAL 71 5.501 5.466 -4.051 561 HG23 VAL 71 2HG2 VAL 71 6.943 5.969 -4.917 562 H LEU 72 H LEU 72 7.678 2.526 -1.136 563 HA LEU 72 HA LEU 72 6.288 3.796 0.967 564 HB2 LEU 72 1HB LEU 72 9.149 2.872 0.700 565 HB3 LEU 72 2HB LEU 72 8.512 3.533 2.192 566 HG LEU 72 HG LEU 72 7.512 1.040 0.762 567 HD11 LEU 72 1HD1 LEU 72 8.259 -0.061 2.876 568 HD12 LEU 72 2HD1 LEU 72 9.062 1.446 3.304 569 HD13 LEU 72 3HD1 LEU 72 9.546 0.575 1.857 570 HD21 LEU 72 3HD2 LEU 72 5.525 1.833 1.753 571 HD22 LEU 72 1HD2 LEU 72 6.385 2.618 3.083 572 HD23 LEU 72 2HD2 LEU 72 6.187 0.866 3.056 573 H LYS 73 H LYS 73 6.009 5.810 1.366 574 HA LYS 73 HA LYS 73 8.001 7.797 0.437 575 HB2 LYS 73 1HB LYS 73 5.846 7.910 -0.747 576 HB3 LYS 73 2HB LYS 73 5.033 8.245 0.781 577 HG2 LYS 73 1HG LYS 73 6.265 10.313 1.069 578 HG3 LYS 73 2HG LYS 73 7.318 9.941 -0.295 579 HD2 LYS 73 1HD LYS 73 5.360 9.998 -1.809 580 HD3 LYS 73 2HD LYS 73 4.337 10.444 -0.444 581 HE2 LYS 73 1HE LYS 73 5.630 12.498 -0.111 582 HE3 LYS 73 2HE LYS 73 6.727 12.040 -1.413 583 HZ1 LYS 73 3HZ LYS 73 3.980 11.965 -2.209 584 HZ2 LYS 73 1HZ LYS 73 5.296 12.741 -2.942 585 HZ3 LYS 73 2HZ LYS 73 4.454 13.508 -1.683 586 HA PRO 74 HA PRO 74 8.183 8.639 4.905 587 HB2 PRO 74 1HB PRO 74 10.327 10.294 4.934 588 HB3 PRO 74 2HB PRO 74 10.504 8.550 4.643 589 HG2 PRO 74 1HG PRO 74 10.469 10.793 2.655 590 HG3 PRO 74 2HG PRO 74 11.530 9.368 2.723 591 HD2 PRO 74 1HD PRO 74 9.323 9.523 1.079 592 HD3 PRO 74 2HD PRO 74 9.957 7.991 1.709 593 H PHE 75 H PHE 75 8.332 10.648 6.292 594 HA PHE 75 HA PHE 75 6.318 12.503 5.313 595 HB2 PHE 75 1HB PHE 75 7.406 11.701 7.949 596 HB3 PHE 75 2HB PHE 75 6.930 13.391 7.838 597 HD1 PHE 75 HD2 PHE 75 5.660 10.089 6.627 598 HD2 PHE 75 HD1 PHE 75 4.701 13.815 8.547 599 HE1 PHE 75 HE2 PHE 75 3.296 9.379 6.831 600 HE2 PHE 75 HE1 PHE 75 2.341 13.104 8.745 601 HZ PHE 75 HZ PHE 75 1.637 10.887 7.889 602 HA PRO 76 HA PRO 76 8.668 16.006 4.121 603 HB2 PRO 76 1HB PRO 76 7.492 17.596 6.389 604 HB3 PRO 76 2HB PRO 76 7.574 17.985 4.662 605 HG2 PRO 76 1HG PRO 76 5.309 17.115 5.848 606 HG3 PRO 76 2HG PRO 76 5.706 16.747 4.157 607 HD2 PRO 76 1HD PRO 76 5.735 14.930 6.525 608 HD3 PRO 76 2HD PRO 76 5.575 14.542 4.796 609 H HIS 77 H HIS 77 8.629 17.055 7.478 610 HA HIS 77 HA HIS 77 11.562 16.884 7.576 611 HB2 HIS 77 1HB HIS 77 10.464 19.077 7.924 612 HB3 HIS 77 2HB HIS 77 9.626 18.412 9.328 613 HD1 HIS 77 HD1 HIS 77 13.256 18.176 8.177 614 HD2 HIS 77 HD2 HIS 77 11.041 19.247 11.542 615 HE1 HIS 77 HE1 HIS 77 14.934 18.743 9.985 616 HE2 HIS 77 HE2 HIS 77 13.598 19.399 12.044 617 H HIS 78 H HIS 78 9.152 14.918 8.311 618 HA HIS 78 HA HIS 78 10.384 13.950 10.844 619 HB2 HIS 78 1HB HIS 78 7.491 13.661 10.005 620 HB3 HIS 78 2HB HIS 78 8.198 13.132 11.521 621 HD1 HIS 78 HD1 HIS 78 9.803 15.461 12.443 622 HD2 HIS 78 HD2 HIS 78 6.097 15.973 10.600 623 HE1 HIS 78 HE1 HIS 78 8.948 17.731 13.169 624 HE2 HIS 78 HE2 HIS 78 6.691 18.059 12.055 625 HA PRO 79 HA PRO 79 10.471 10.773 7.260 626 HB2 PRO 79 1HB PRO 79 13.254 10.494 7.206 627 HB3 PRO 79 2HB PRO 79 12.336 11.572 6.130 628 HG2 PRO 79 1HG PRO 79 13.804 12.232 8.658 629 HG3 PRO 79 2HG PRO 79 13.711 13.152 7.142 630 HD2 PRO 79 1HD PRO 79 12.234 13.845 9.313 631 HD3 PRO 79 2HD PRO 79 11.600 14.042 7.657 632 H ASN 80 H ASN 80 11.310 11.156 10.450 633 HA ASN 80 HA ASN 80 12.639 8.872 11.247 634 HB2 ASN 80 1HB ASN 80 11.514 9.094 13.415 635 HB3 ASN 80 2HB ASN 80 12.011 10.673 12.807 636 HD21 ASN 80 2HD2 ASN 80 9.425 9.135 14.249 637 HD22 ASN 80 1HD2 ASN 80 8.170 10.130 13.685 638 H GLN 81 H GLN 81 9.610 9.062 9.684 639 HA GLN 81 HA GLN 81 9.071 6.225 10.266 640 HB2 GLN 81 1HB GLN 81 7.497 8.204 11.284 641 HB3 GLN 81 2HB GLN 81 6.719 7.993 9.720 642 HG2 GLN 81 1HG GLN 81 5.606 6.467 11.207 643 HG3 GLN 81 2HG GLN 81 6.688 5.472 10.235 644 HE21 GLN 81 2HE2 GLN 81 7.650 3.921 11.543 645 HE22 GLN 81 1HE2 GLN 81 8.223 4.199 13.120 646 H ILE 82 H ILE 82 6.967 5.891 8.568 647 HA ILE 82 HA ILE 82 7.999 6.610 5.904 648 HB ILE 82 HB ILE 82 6.775 3.900 6.263 649 HG12 ILE 82 1HG1 ILE 82 8.419 4.099 8.194 650 HG13 ILE 82 2HG1 ILE 82 8.811 2.849 7.027 651 HG21 ILE 82 1HG2 ILE 82 8.570 3.345 4.586 652 HG22 ILE 82 2HG2 ILE 82 9.045 5.040 4.598 653 HG23 ILE 82 3HG2 ILE 82 7.433 4.577 4.044 654 HD11 ILE 82 3HD1 ILE 82 10.601 4.717 7.908 655 HD12 ILE 82 1HD1 ILE 82 10.028 5.483 6.423 656 HD13 ILE 82 2HD1 ILE 82 10.731 3.861 6.372 657 H GLY 83 H GLY 83 6.352 6.062 4.199 658 HA2 GLY 83 1HA GLY 83 4.145 7.662 4.383 659 HA3 GLY 83 2HA GLY 83 4.272 6.307 3.271 660 H LEU 84 H LEU 84 3.240 7.270 6.502 661 HA LEU 84 HA LEU 84 1.637 4.801 6.783 662 HB2 LEU 84 1HB LEU 84 3.099 6.476 8.645 663 HB3 LEU 84 2HB LEU 84 1.409 6.403 9.145 664 HG LEU 84 HG LEU 84 2.694 4.580 10.154 665 HD11 LEU 84 1HD1 LEU 84 1.114 2.938 8.255 666 HD12 LEU 84 2HD1 LEU 84 0.222 4.328 8.876 667 HD13 LEU 84 3HD1 LEU 84 0.912 3.153 9.995 668 HD21 LEU 84 3HD2 LEU 84 4.161 4.516 7.794 669 HD22 LEU 84 1HD2 LEU 84 3.150 3.079 7.617 670 HD23 LEU 84 2HD2 LEU 84 4.199 3.255 9.024 671 H GLY 85 H GLY 85 1.289 7.845 5.578 672 HA2 GLY 85 1HA GLY 85 -1.006 8.926 6.587 673 HA3 GLY 85 2HA GLY 85 -0.580 8.983 4.884 674 H VAL 86 H VAL 86 -0.712 5.967 4.774 675 HA VAL 86 HA VAL 86 -3.663 5.717 4.531 676 HB VAL 86 HB VAL 86 -1.510 4.084 3.153 677 HG11 VAL 86 1HG1 VAL 86 -3.728 3.010 3.330 678 HG12 VAL 86 2HG1 VAL 86 -3.393 3.474 1.661 679 HG13 VAL 86 3HG1 VAL 86 -4.475 4.452 2.648 680 HG21 VAL 86 3HG2 VAL 86 -1.315 6.409 2.438 681 HG22 VAL 86 1HG2 VAL 86 -3.060 6.527 2.225 682 HG23 VAL 86 2HG2 VAL 86 -2.110 5.495 1.159 683 H THR 87 H THR 87 -4.717 3.914 5.343 684 HA THR 87 HA THR 87 -3.539 2.710 7.645 685 HB THR 87 HB THR 87 -5.954 3.356 7.394 686 HG1 THR 87 HG1 THR 87 -4.952 1.575 8.785 687 HG21 THR 87 3HG2 THR 87 -6.216 0.791 5.800 688 HG22 THR 87 1HG2 THR 87 -6.148 2.385 5.045 689 HG23 THR 87 2HG2 THR 87 -7.465 1.983 6.148 Start of MODEL 7 1 H1 MET 1 1H MET 1 -21.469 -17.775 0.978 2 H2 MET 1 2H MET 1 -20.458 -17.371 -0.324 3 H3 MET 1 3H MET 1 -21.821 -16.419 0.022 4 HA MET 1 HA MET 1 -20.435 -15.099 1.134 5 HB2 MET 1 1HB MET 1 -20.506 -17.526 2.957 6 HB3 MET 1 2HB MET 1 -19.884 -15.952 3.450 7 HG2 MET 1 1HG MET 1 -22.173 -16.052 4.181 8 HG3 MET 1 2HG MET 1 -22.139 -14.971 2.790 9 HE1 MET 1 3HE MET 1 -24.372 -15.112 1.520 10 HE2 MET 1 1HE MET 1 -24.715 -15.472 3.216 11 HE3 MET 1 2HE MET 1 -25.482 -16.414 1.941 12 H ASN 2 H ASN 2 -18.262 -14.577 1.634 13 HA ASN 2 HA ASN 2 -16.324 -16.141 0.152 14 HB2 ASN 2 1HB ASN 2 -14.829 -14.294 0.540 15 HB3 ASN 2 2HB ASN 2 -16.408 -13.651 0.102 16 HD21 ASN 2 2HD2 ASN 2 -17.827 -13.722 2.486 17 HD22 ASN 2 1HD2 ASN 2 -17.048 -12.779 3.663 18 H GLU 3 H GLU 3 -14.133 -16.518 1.115 19 HA GLU 3 HA GLU 3 -14.395 -18.189 3.433 20 HB2 GLU 3 1HB GLU 3 -11.934 -17.315 1.906 21 HB3 GLU 3 2HB GLU 3 -11.969 -18.580 3.131 22 HG2 GLU 3 1HG GLU 3 -13.660 -18.621 0.616 23 HG3 GLU 3 2HG GLU 3 -12.109 -19.438 0.768 24 H ALA 4 H ALA 4 -11.878 -15.721 2.966 25 HA ALA 4 HA ALA 4 -12.479 -14.596 5.655 26 HB1 ALA 4 3HB ALA 4 -9.748 -15.382 4.600 27 HB2 ALA 4 1HB ALA 4 -10.622 -16.164 5.916 28 HB3 ALA 4 2HB ALA 4 -10.044 -14.509 6.102 29 H LYS 5 H LYS 5 -12.234 -12.387 5.844 30 HA LYS 5 HA LYS 5 -11.938 -10.882 3.379 31 HB2 LYS 5 1HB LYS 5 -12.583 -10.055 6.221 32 HB3 LYS 5 2HB LYS 5 -12.555 -8.959 4.844 33 HG2 LYS 5 1HG LYS 5 -14.304 -10.288 3.729 34 HG3 LYS 5 2HG LYS 5 -14.325 -11.412 5.087 35 HD2 LYS 5 1HD LYS 5 -14.952 -9.522 6.594 36 HD3 LYS 5 2HD LYS 5 -15.034 -8.464 5.186 37 HE2 LYS 5 1HE LYS 5 -16.719 -10.945 5.651 38 HE3 LYS 5 2HE LYS 5 -17.278 -9.279 5.758 39 HZ1 LYS 5 3HZ LYS 5 -17.870 -10.090 3.634 40 HZ2 LYS 5 1HZ LYS 5 -16.318 -10.705 3.346 41 HZ3 LYS 5 2HZ LYS 5 -16.569 -9.027 3.398 42 H GLY 6 H GLY 6 -10.701 -8.745 3.603 43 HA2 GLY 6 1HA GLY 6 -7.988 -9.276 4.726 44 HA3 GLY 6 2HA GLY 6 -8.292 -8.368 3.251 45 H VAL 7 H VAL 7 -8.055 -6.247 3.478 46 HA VAL 7 HA VAL 7 -8.859 -4.916 6.005 47 HB VAL 7 HB VAL 7 -6.885 -3.422 5.711 48 HG11 VAL 7 1HG1 VAL 7 -6.253 -6.379 5.950 49 HG12 VAL 7 2HG1 VAL 7 -6.818 -5.341 7.259 50 HG13 VAL 7 3HG1 VAL 7 -5.236 -5.060 6.532 51 HG21 VAL 7 3HG2 VAL 7 -5.069 -4.175 4.215 52 HG22 VAL 7 1HG2 VAL 7 -6.524 -3.805 3.294 53 HG23 VAL 7 2HG2 VAL 7 -6.092 -5.482 3.625 54 H TYR 8 H TYR 8 -8.977 -2.487 5.660 55 HA TYR 8 HA TYR 8 -9.990 -1.794 2.956 56 HB2 TYR 8 1HB TYR 8 -11.349 -1.253 5.607 57 HB3 TYR 8 2HB TYR 8 -11.863 -0.594 4.054 58 HD1 TYR 8 HD2 TYR 8 -11.563 -3.669 6.092 59 HD2 TYR 8 HD1 TYR 8 -12.891 -2.023 2.348 60 HE1 TYR 8 HE2 TYR 8 -12.825 -5.751 5.620 61 HE2 TYR 8 HE1 TYR 8 -14.150 -4.107 1.882 62 HH TYR 8 HH TYR 8 -14.734 -6.475 4.265 63 H VAL 9 H VAL 9 -9.201 0.066 2.210 64 HA VAL 9 HA VAL 9 -7.322 1.612 3.693 65 HB VAL 9 HB VAL 9 -8.761 2.254 1.102 66 HG11 VAL 9 1HG1 VAL 9 -6.219 3.344 2.340 67 HG12 VAL 9 2HG1 VAL 9 -7.704 4.242 2.025 68 HG13 VAL 9 3HG1 VAL 9 -6.728 3.656 0.680 69 HG21 VAL 9 3HG2 VAL 9 -6.156 0.817 1.680 70 HG22 VAL 9 1HG2 VAL 9 -6.655 1.353 0.073 71 HG23 VAL 9 2HG2 VAL 9 -7.597 0.131 0.927 72 H MET 10 H MET 10 -7.706 3.343 5.079 73 HA MET 10 HA MET 10 -10.372 4.147 5.590 74 HB2 MET 10 1HB MET 10 -8.767 4.005 7.387 75 HB3 MET 10 2HB MET 10 -7.674 5.107 6.566 76 HG2 MET 10 1HG MET 10 -8.957 6.177 8.400 77 HG3 MET 10 2HG MET 10 -9.239 6.946 6.844 78 HE1 MET 10 3HE MET 10 -11.582 8.057 7.893 79 HE2 MET 10 1HE MET 10 -10.908 7.318 9.353 80 HE3 MET 10 2HE MET 10 -12.604 7.076 8.940 81 H SER 11 H SER 11 -7.485 5.875 4.350 82 HA SER 11 HA SER 11 -9.267 7.614 2.747 83 HB2 SER 11 1HB SER 11 -8.121 9.662 3.634 84 HB3 SER 11 2HB SER 11 -9.131 8.846 4.821 85 HG SER 11 HG SER 11 -6.714 9.496 5.199 86 H VAL 12 H VAL 12 -8.054 9.056 1.330 87 HA VAL 12 HA VAL 12 -5.400 7.993 0.520 88 HB VAL 12 HB VAL 12 -7.028 7.157 -1.076 89 HG11 VAL 12 1HG1 VAL 12 -8.806 8.845 -0.525 90 HG12 VAL 12 2HG1 VAL 12 -8.582 8.591 -2.256 91 HG13 VAL 12 3HG1 VAL 12 -7.913 10.027 -1.485 92 HG21 VAL 12 3HG2 VAL 12 -4.822 8.155 -1.900 93 HG22 VAL 12 1HG2 VAL 12 -5.739 9.594 -2.353 94 HG23 VAL 12 2HG2 VAL 12 -6.098 8.042 -3.111 95 H LEU 13 H LEU 13 -3.896 9.500 0.146 96 HA LEU 13 HA LEU 13 -4.731 12.320 0.459 97 HB2 LEU 13 1HB LEU 13 -2.363 10.769 1.346 98 HB3 LEU 13 2HB LEU 13 -2.023 12.409 0.820 99 HG LEU 13 HG LEU 13 -3.773 13.231 2.398 100 HD11 LEU 13 1HD1 LEU 13 -5.220 11.303 2.540 101 HD12 LEU 13 2HD1 LEU 13 -4.538 11.539 4.146 102 HD13 LEU 13 3HD1 LEU 13 -3.903 10.273 3.094 103 HD21 LEU 13 3HD2 LEU 13 -2.475 12.710 4.469 104 HD22 LEU 13 1HD2 LEU 13 -1.445 13.180 3.116 105 HD23 LEU 13 2HD2 LEU 13 -1.587 11.480 3.568 106 HA PRO 14 HA PRO 14 -3.539 13.289 -3.667 107 HB2 PRO 14 1HB PRO 14 -2.833 15.927 -3.443 108 HB3 PRO 14 2HB PRO 14 -4.516 15.377 -3.271 109 HG2 PRO 14 1HG PRO 14 -2.516 16.008 -1.119 110 HG3 PRO 14 2HG PRO 14 -4.223 16.485 -1.233 111 HD2 PRO 14 1HD PRO 14 -3.419 14.372 0.300 112 HD3 PRO 14 2HD PRO 14 -4.993 14.398 -0.534 113 H ASN 15 H ASN 15 -1.746 13.795 -5.035 114 HA ASN 15 HA ASN 15 0.431 13.601 -5.710 115 HB2 ASN 15 1HB ASN 15 0.541 15.770 -4.463 116 HB3 ASN 15 2HB ASN 15 1.061 14.873 -3.040 117 HD21 ASN 15 2HD2 ASN 15 3.172 16.032 -3.146 118 HD22 ASN 15 1HD2 ASN 15 4.335 15.565 -4.294 119 H MET 16 H MET 16 -0.760 11.378 -4.216 120 HA MET 16 HA MET 16 1.615 10.282 -2.859 121 HB2 MET 16 1HB MET 16 -1.325 9.750 -2.615 122 HB3 MET 16 2HB MET 16 -0.196 8.521 -2.100 123 HG2 MET 16 1HG MET 16 -0.045 11.387 -1.143 124 HG3 MET 16 2HG MET 16 -0.929 10.126 -0.292 125 HE1 MET 16 3HE MET 16 1.538 7.878 1.307 126 HE2 MET 16 1HE MET 16 0.202 7.735 0.157 127 HE3 MET 16 2HE MET 16 0.063 8.813 1.543 128 HA PRO 17 HA PRO 17 2.493 7.320 -5.952 129 HB2 PRO 17 1HB PRO 17 2.327 5.076 -3.972 130 HB3 PRO 17 2HB PRO 17 3.698 5.588 -4.980 131 HG2 PRO 17 1HG PRO 17 3.639 6.083 -2.344 132 HG3 PRO 17 2HG PRO 17 4.354 7.234 -3.491 133 HD2 PRO 17 1HD PRO 17 1.696 7.328 -2.107 134 HD3 PRO 17 2HD PRO 17 2.827 8.637 -2.468 135 H ALA 18 H ALA 18 -0.270 6.524 -3.868 136 HA ALA 18 HA ALA 18 -1.386 4.711 -5.910 137 HB1 ALA 18 3HB ALA 18 -2.762 3.885 -4.175 138 HB2 ALA 18 1HB ALA 18 -2.614 5.360 -3.219 139 HB3 ALA 18 2HB ALA 18 -1.257 4.251 -3.345 140 H ALA 19 H ALA 19 -1.582 7.920 -4.878 141 HA ALA 19 HA ALA 19 -4.317 8.528 -5.296 142 HB1 ALA 19 3HB ALA 19 -2.934 10.210 -4.273 143 HB2 ALA 19 1HB ALA 19 -3.517 10.874 -5.794 144 HB3 ALA 19 2HB ALA 19 -1.866 10.267 -5.675 145 H GLY 20 H GLY 20 -5.531 8.412 -7.089 146 HA2 GLY 20 1HA GLY 20 -6.061 8.897 -9.336 147 HA3 GLY 20 2HA GLY 20 -4.345 8.938 -9.733 148 H ARG 21 H ARG 21 -4.491 6.331 -7.851 149 HA ARG 21 HA ARG 21 -5.172 4.441 -10.065 150 HB2 ARG 21 1HB ARG 21 -3.000 4.281 -7.958 151 HB3 ARG 21 2HB ARG 21 -3.434 2.953 -9.032 152 HG2 ARG 21 1HG ARG 21 -2.896 4.343 -10.993 153 HG3 ARG 21 2HG ARG 21 -2.485 5.691 -9.927 154 HD2 ARG 21 1HD ARG 21 -0.732 4.319 -8.872 155 HD3 ARG 21 2HD ARG 21 -1.121 2.986 -9.944 156 HE ARG 21 HE ARG 21 0.431 5.327 -10.598 157 HH11 ARG 21 1HH2 ARG 21 -1.661 2.851 -11.832 158 HH12 ARG 21 2HH2 ARG 21 -1.024 2.929 -13.444 159 HH21 ARG 21 1HH1 ARG 21 1.269 5.426 -12.703 160 HH22 ARG 21 2HH1 ARG 21 0.634 4.384 -13.938 161 H LEU 22 H LEU 22 -5.456 5.282 -6.762 162 HA LEU 22 HA LEU 22 -7.499 3.182 -6.326 163 HB2 LEU 22 1HB LEU 22 -4.974 3.528 -4.772 164 HB3 LEU 22 2HB LEU 22 -6.405 3.050 -3.873 165 HG LEU 22 HG LEU 22 -5.391 1.610 -6.347 166 HD11 LEU 22 1HD1 LEU 22 -4.511 -0.092 -4.794 167 HD12 LEU 22 2HD1 LEU 22 -5.002 0.900 -3.423 168 HD13 LEU 22 3HD1 LEU 22 -3.744 1.471 -4.519 169 HD21 LEU 22 3HD2 LEU 22 -7.556 0.812 -6.223 170 HD22 LEU 22 1HD2 LEU 22 -7.752 1.246 -4.524 171 HD23 LEU 22 2HD2 LEU 22 -6.893 -0.221 -4.968 172 H GLU 23 H GLU 23 -8.648 3.520 -4.218 173 HA GLU 23 HA GLU 23 -8.801 6.251 -3.253 174 HB2 GLU 23 1HB GLU 23 -10.603 5.253 -5.361 175 HB3 GLU 23 2HB GLU 23 -11.489 5.863 -3.968 176 HG2 GLU 23 1HG GLU 23 -10.244 7.989 -4.118 177 HG3 GLU 23 2HG GLU 23 -9.341 7.370 -5.494 178 H ALA 24 H ALA 24 -10.454 6.526 -1.650 179 HA ALA 24 HA ALA 24 -10.322 4.591 0.371 180 HB1 ALA 24 3HB ALA 24 -12.027 5.932 1.539 181 HB2 ALA 24 1HB ALA 24 -12.365 6.817 0.052 182 HB3 ALA 24 2HB ALA 24 -10.794 6.975 0.836 183 H GLY 25 H GLY 25 -11.642 2.920 0.933 184 HA2 GLY 25 1HA GLY 25 -13.808 1.820 0.965 185 HA3 GLY 25 2HA GLY 25 -14.085 2.395 -0.679 186 H ASP 26 H ASP 26 -11.183 1.779 -1.352 187 HA ASP 26 HA ASP 26 -11.640 -0.901 -2.304 188 HB2 ASP 26 1HB ASP 26 -9.519 -0.688 -3.378 189 HB3 ASP 26 2HB ASP 26 -10.261 0.909 -3.437 190 H ARG 27 H ARG 27 -10.394 -2.812 -1.787 191 HA ARG 27 HA ARG 27 -9.145 -2.791 0.916 192 HB2 ARG 27 1HB ARG 27 -9.969 -5.209 1.004 193 HB3 ARG 27 2HB ARG 27 -11.208 -3.963 1.141 194 HG2 ARG 27 1HG ARG 27 -11.821 -4.223 -1.187 195 HG3 ARG 27 2HG ARG 27 -10.474 -5.329 -1.460 196 HD2 ARG 27 1HD ARG 27 -11.431 -6.975 0.027 197 HD3 ARG 27 2HD ARG 27 -12.705 -5.874 0.527 198 HE ARG 27 HE ARG 27 -12.640 -7.464 -1.874 199 HH11 ARG 27 1HH2 ARG 27 -13.769 -4.524 -0.427 200 HH12 ARG 27 2HH2 ARG 27 -15.131 -4.361 -1.490 201 HH21 ARG 27 1HH1 ARG 27 -14.428 -7.256 -3.270 202 HH22 ARG 27 2HH1 ARG 27 -15.502 -5.903 -3.096 203 H ILE 28 H ILE 28 -7.419 -4.180 1.224 204 HA ILE 28 HA ILE 28 -5.893 -4.780 -1.231 205 HB ILE 28 HB ILE 28 -4.880 -4.872 1.627 206 HG12 ILE 28 1HG1 ILE 28 -5.733 -2.631 1.283 207 HG13 ILE 28 2HG1 ILE 28 -3.980 -2.570 1.138 208 HG21 ILE 28 1HG2 ILE 28 -3.502 -4.540 -1.056 209 HG22 ILE 28 2HG2 ILE 28 -3.499 -6.004 -0.073 210 HG23 ILE 28 3HG2 ILE 28 -2.697 -4.548 0.513 211 HD11 ILE 28 3HD1 ILE 28 -4.389 -2.844 -1.425 212 HD12 ILE 28 1HD1 ILE 28 -4.747 -1.279 -0.694 213 HD13 ILE 28 2HD1 ILE 28 -6.055 -2.402 -1.053 214 H ALA 29 H ALA 29 -5.570 -6.762 -1.896 215 HA ALA 29 HA ALA 29 -6.581 -9.028 -0.276 216 HB1 ALA 29 3HB ALA 29 -6.391 -10.265 -2.468 217 HB2 ALA 29 1HB ALA 29 -5.947 -8.730 -3.218 218 HB3 ALA 29 2HB ALA 29 -7.531 -8.923 -2.470 219 H ALA 30 H ALA 30 -3.666 -7.702 -1.649 220 HA ALA 30 HA ALA 30 -1.973 -9.360 -0.076 221 HB1 ALA 30 3HB ALA 30 -2.617 -11.077 -1.712 222 HB2 ALA 30 1HB ALA 30 -0.909 -10.671 -1.838 223 HB3 ALA 30 2HB ALA 30 -2.054 -10.032 -3.012 224 H ILE 31 H ILE 31 0.197 -8.809 -0.178 225 HA ILE 31 HA ILE 31 0.915 -6.540 -1.945 226 HB ILE 31 HB ILE 31 1.540 -6.816 1.003 227 HG12 ILE 31 1HG1 ILE 31 0.112 -4.624 -0.527 228 HG13 ILE 31 2HG1 ILE 31 -0.723 -5.912 0.340 229 HG21 ILE 31 1HG2 ILE 31 3.549 -5.964 0.030 230 HG22 ILE 31 2HG2 ILE 31 2.696 -4.528 0.583 231 HG23 ILE 31 3HG2 ILE 31 2.668 -4.967 -1.122 232 HD11 ILE 31 3HD1 ILE 31 -0.634 -4.000 1.809 233 HD12 ILE 31 1HD1 ILE 31 1.094 -3.791 1.511 234 HD13 ILE 31 2HD1 ILE 31 0.524 -5.183 2.421 235 H ASP 32 H ASP 32 2.571 -6.960 -3.137 236 HA ASP 32 HA ASP 32 4.480 -7.925 -3.988 237 HB2 ASP 32 1HB ASP 32 5.384 -6.768 -1.948 238 HB3 ASP 32 2HB ASP 32 5.227 -8.290 -1.078 239 H GLY 33 H GLY 33 2.105 -9.638 -2.964 240 HA2 GLY 33 1HA GLY 33 1.782 -11.892 -3.735 241 HA3 GLY 33 2HA GLY 33 3.456 -12.251 -3.341 242 H GLN 34 H GLN 34 2.492 -10.449 -0.829 243 HA GLN 34 HA GLN 34 1.921 -12.818 0.823 244 HB2 GLN 34 1HB GLN 34 2.465 -10.015 1.788 245 HB3 GLN 34 2HB GLN 34 2.552 -11.517 2.708 246 HG2 GLN 34 1HG GLN 34 4.326 -10.753 0.373 247 HG3 GLN 34 2HG GLN 34 4.805 -10.814 2.063 248 HE21 GLN 34 2HE2 GLN 34 4.289 -13.140 3.099 249 HE22 GLN 34 1HE2 GLN 34 4.727 -14.465 2.129 250 HA PRO 35 HA PRO 35 -2.484 -11.492 0.664 251 HB2 PRO 35 1HB PRO 35 -2.729 -13.764 2.608 252 HB3 PRO 35 2HB PRO 35 -3.670 -13.443 1.135 253 HG2 PRO 35 1HG PRO 35 -1.824 -15.369 1.187 254 HG3 PRO 35 2HG PRO 35 -2.049 -14.354 -0.255 255 HD2 PRO 35 1HD PRO 35 0.116 -14.203 1.835 256 HD3 PRO 35 2HD PRO 35 0.205 -13.973 0.077 257 H ILE 36 H ILE 36 -3.518 -10.051 2.018 258 HA ILE 36 HA ILE 36 -2.324 -9.515 4.657 259 HB ILE 36 HB ILE 36 -4.376 -7.882 3.160 260 HG12 ILE 36 1HG1 ILE 36 -2.509 -8.054 1.678 261 HG13 ILE 36 2HG1 ILE 36 -2.375 -6.491 2.456 262 HG21 ILE 36 1HG2 ILE 36 -4.082 -7.369 5.567 263 HG22 ILE 36 2HG2 ILE 36 -3.500 -6.053 4.551 264 HG23 ILE 36 3HG2 ILE 36 -2.353 -7.161 5.299 265 HD11 ILE 36 3HD1 ILE 36 -0.183 -7.406 2.524 266 HD12 ILE 36 1HD1 ILE 36 -0.766 -8.990 2.989 267 HD13 ILE 36 2HD1 ILE 36 -0.816 -7.670 4.147 268 H ASN 37 H ASN 37 -3.161 -10.674 6.165 269 HA ASN 37 HA ASN 37 -6.092 -11.061 6.396 270 HB2 ASN 37 1HB ASN 37 -4.646 -13.098 6.473 271 HB3 ASN 37 2HB ASN 37 -3.907 -12.473 7.946 272 HD21 ASN 37 2HD2 ASN 37 -4.794 -14.076 9.395 273 HD22 ASN 37 1HD2 ASN 37 -6.460 -14.201 9.701 274 H THR 38 H THR 38 -3.416 -9.414 7.850 275 HA THR 38 HA THR 38 -5.234 -8.244 9.862 276 HB THR 38 HB THR 38 -3.776 -8.625 11.700 277 HG1 THR 38 HG1 THR 38 -1.966 -9.397 9.680 278 HG21 THR 38 3HG2 THR 38 -5.109 -10.618 10.993 279 HG22 THR 38 1HG2 THR 38 -3.612 -11.047 11.821 280 HG23 THR 38 2HG2 THR 38 -3.716 -11.174 10.066 281 H SER 39 H SER 39 -4.374 -6.292 10.831 282 HA SER 39 HA SER 39 -3.169 -4.563 8.918 283 HB2 SER 39 1HB SER 39 -3.175 -2.916 10.760 284 HB3 SER 39 2HB SER 39 -4.725 -3.735 10.626 285 HG SER 39 HG SER 39 -4.409 -4.237 12.632 286 H GLU 40 H GLU 40 -1.981 -6.652 11.398 287 HA GLU 40 HA GLU 40 0.541 -5.456 11.894 288 HB2 GLU 40 1HB GLU 40 -0.377 -8.335 12.096 289 HB3 GLU 40 2HB GLU 40 1.179 -7.752 12.687 290 HG2 GLU 40 1HG GLU 40 0.055 -6.197 14.205 291 HG3 GLU 40 2HG GLU 40 -1.518 -6.695 13.581 292 H GLN 41 H GLN 41 -0.641 -7.666 9.426 293 HA GLN 41 HA GLN 41 1.841 -8.483 8.389 294 HB2 GLN 41 1HB GLN 41 -0.323 -9.512 7.770 295 HB3 GLN 41 2HB GLN 41 -0.750 -8.052 6.885 296 HG2 GLN 41 1HG GLN 41 0.102 -9.703 5.315 297 HG3 GLN 41 2HG GLN 41 1.278 -8.400 5.436 298 HE21 GLN 41 2HE2 GLN 41 2.944 -10.007 4.733 299 HE22 GLN 41 1HE2 GLN 41 3.567 -11.112 5.862 300 H ILE 42 H ILE 42 -0.029 -5.501 7.918 301 HA ILE 42 HA ILE 42 1.509 -4.537 5.718 302 HB ILE 42 HB ILE 42 -0.213 -3.046 7.712 303 HG12 ILE 42 1HG1 ILE 42 -1.473 -4.869 6.615 304 HG13 ILE 42 2HG1 ILE 42 -2.005 -3.301 6.010 305 HG21 ILE 42 1HG2 ILE 42 0.747 -2.341 4.934 306 HG22 ILE 42 2HG2 ILE 42 1.230 -1.547 6.432 307 HG23 ILE 42 3HG2 ILE 42 -0.429 -1.409 5.848 308 HD11 ILE 42 3HD1 ILE 42 -0.406 -5.422 4.623 309 HD12 ILE 42 1HD1 ILE 42 -0.187 -3.751 4.129 310 HD13 ILE 42 2HD1 ILE 42 -1.777 -4.497 4.021 311 H VAL 43 H VAL 43 1.833 -4.499 9.165 312 HA VAL 43 HA VAL 43 3.643 -2.314 9.393 313 HB VAL 43 HB VAL 43 3.325 -4.730 11.185 314 HG11 VAL 43 1HG1 VAL 43 4.233 -3.135 12.920 315 HG12 VAL 43 2HG1 VAL 43 4.638 -2.035 11.600 316 HG13 VAL 43 3HG1 VAL 43 5.401 -3.623 11.694 317 HG21 VAL 43 3HG2 VAL 43 2.075 -1.972 11.360 318 HG22 VAL 43 1HG2 VAL 43 1.808 -3.311 12.477 319 HG23 VAL 43 2HG2 VAL 43 1.236 -3.423 10.816 320 H SER 44 H SER 44 4.060 -5.809 8.990 321 HA SER 44 HA SER 44 6.888 -5.842 9.144 322 HB2 SER 44 1HB SER 44 5.525 -7.897 9.292 323 HB3 SER 44 2HB SER 44 5.050 -7.703 7.609 324 HG SER 44 HG SER 44 6.872 -9.129 7.983 325 H TYR 45 H TYR 45 4.637 -5.434 6.466 326 HA TYR 45 HA TYR 45 6.451 -5.493 4.334 327 HB2 TYR 45 1HB TYR 45 4.295 -5.420 3.499 328 HB3 TYR 45 2HB TYR 45 3.726 -4.408 4.818 329 HD1 TYR 45 HD2 TYR 45 6.257 -4.071 2.065 330 HD2 TYR 45 HD1 TYR 45 2.917 -2.305 4.096 331 HE1 TYR 45 HE2 TYR 45 6.385 -2.090 0.592 332 HE2 TYR 45 HE1 TYR 45 3.052 -0.331 2.621 333 HH TYR 45 HH TYR 45 4.053 -0.017 0.083 334 H VAL 46 H VAL 46 5.217 -2.532 5.957 335 HA VAL 46 HA VAL 46 6.931 -0.734 4.684 336 HB VAL 46 HB VAL 46 5.847 -0.583 7.510 337 HG11 VAL 46 1HG1 VAL 46 6.806 1.594 5.646 338 HG12 VAL 46 2HG1 VAL 46 7.625 1.065 7.115 339 HG13 VAL 46 3HG1 VAL 46 6.052 1.846 7.217 340 HG21 VAL 46 3HG2 VAL 46 4.061 -0.913 5.879 341 HG22 VAL 46 1HG2 VAL 46 4.718 0.370 4.866 342 HG23 VAL 46 2HG2 VAL 46 4.037 0.758 6.446 343 H ARG 47 H ARG 47 7.410 -2.594 7.680 344 HA ARG 47 HA ARG 47 9.914 -1.499 8.381 345 HB2 ARG 47 1HB ARG 47 8.490 -2.833 9.916 346 HB3 ARG 47 2HB ARG 47 8.854 -4.274 8.972 347 HG2 ARG 47 1HG ARG 47 11.245 -4.029 9.460 348 HG3 ARG 47 2HG ARG 47 10.929 -2.537 10.332 349 HD2 ARG 47 1HD ARG 47 9.584 -3.760 11.982 350 HD3 ARG 47 2HD ARG 47 9.857 -5.268 11.093 351 HE ARG 47 HE ARG 47 12.236 -3.788 11.947 352 HH11 ARG 47 1HH2 ARG 47 10.018 -6.395 12.546 353 HH12 ARG 47 2HH2 ARG 47 11.130 -7.270 13.552 354 HH21 ARG 47 1HH1 ARG 47 13.674 -4.931 13.232 355 HH22 ARG 47 2HH1 ARG 47 13.198 -6.442 13.940 356 H GLU 48 H GLU 48 9.084 -4.379 6.417 357 HA GLU 48 HA GLU 48 11.720 -5.282 5.982 358 HB2 GLU 48 1HB GLU 48 9.170 -5.559 4.370 359 HB3 GLU 48 2HB GLU 48 10.683 -6.267 3.812 360 HG2 GLU 48 1HG GLU 48 10.850 -7.638 5.792 361 HG3 GLU 48 2HG GLU 48 9.472 -6.836 6.532 362 H LYS 49 H LYS 49 9.646 -3.366 3.819 363 HA LYS 49 HA LYS 49 11.882 -2.617 2.131 364 HB2 LYS 49 1HB LYS 49 9.088 -1.462 1.987 365 HB3 LYS 49 2HB LYS 49 10.258 -1.655 0.710 366 HG2 LYS 49 1HG LYS 49 8.924 -3.973 2.145 367 HG3 LYS 49 2HG LYS 49 8.432 -3.336 0.586 368 HD2 LYS 49 1HD LYS 49 10.743 -3.801 -0.277 369 HD3 LYS 49 2HD LYS 49 11.099 -4.603 1.251 370 HE2 LYS 49 1HE LYS 49 8.819 -5.392 -0.573 371 HE3 LYS 49 2HE LYS 49 10.394 -6.178 -0.558 372 HZ1 LYS 49 3HZ LYS 49 10.031 -6.574 1.862 373 HZ2 LYS 49 1HZ LYS 49 8.974 -7.420 0.842 374 HZ3 LYS 49 2HZ LYS 49 8.431 -6.036 1.657 375 H GLN 50 H GLN 50 12.063 -0.243 1.497 376 HA GLN 50 HA GLN 50 11.806 1.550 3.838 377 HB2 GLN 50 1HB GLN 50 14.115 2.363 3.420 378 HB3 GLN 50 2HB GLN 50 14.065 0.675 3.924 379 HG2 GLN 50 1HG GLN 50 14.196 -0.003 1.523 380 HG3 GLN 50 2HG GLN 50 14.373 1.694 1.086 381 HE21 GLN 50 2HE2 GLN 50 16.561 1.979 0.553 382 HE22 GLN 50 1HE2 GLN 50 17.859 1.427 1.501 383 H ALA 51 H ALA 51 12.925 3.752 2.950 384 HA ALA 51 HA ALA 51 10.989 4.838 1.161 385 HB1 ALA 51 3HB ALA 51 13.615 5.957 2.180 386 HB2 ALA 51 1HB ALA 51 12.002 6.296 2.806 387 HB3 ALA 51 2HB ALA 51 12.468 6.879 1.210 388 H GLY 52 H GLY 52 10.986 4.946 -1.007 389 HA2 GLY 52 1HA GLY 52 11.968 5.296 -3.151 390 HA3 GLY 52 2HA GLY 52 13.509 4.715 -2.531 391 H ASP 53 H ASP 53 11.502 2.554 -1.251 392 HA ASP 53 HA ASP 53 12.161 0.506 -3.127 393 HB2 ASP 53 1HB ASP 53 11.889 0.155 -0.664 394 HB3 ASP 53 2HB ASP 53 10.158 0.370 -0.868 395 H ARG 54 H ARG 54 10.340 -1.083 -3.760 396 HA ARG 54 HA ARG 54 7.876 0.257 -4.695 397 HB2 ARG 54 1HB ARG 54 9.944 -1.050 -6.498 398 HB3 ARG 54 2HB ARG 54 8.276 -0.778 -7.001 399 HG2 ARG 54 1HG ARG 54 8.549 1.628 -6.553 400 HG3 ARG 54 2HG ARG 54 10.228 1.348 -6.100 401 HD2 ARG 54 1HD ARG 54 10.700 0.465 -8.356 402 HD3 ARG 54 2HD ARG 54 9.017 0.716 -8.802 403 HE ARG 54 HE ARG 54 9.429 3.006 -8.983 404 HH11 ARG 54 1HH2 ARG 54 12.082 1.366 -7.480 405 HH12 ARG 54 2HH2 ARG 54 13.154 2.727 -7.575 406 HH21 ARG 54 1HH1 ARG 54 10.821 4.788 -9.116 407 HH22 ARG 54 2HH1 ARG 54 12.441 4.667 -8.502 408 H VAL 55 H VAL 55 6.226 -1.038 -4.392 409 HA VAL 55 HA VAL 55 6.618 -3.981 -4.426 410 HB VAL 55 HB VAL 55 4.897 -4.025 -2.482 411 HG11 VAL 55 1HG1 VAL 55 7.364 -4.556 -2.297 412 HG12 VAL 55 2HG1 VAL 55 6.640 -3.915 -0.832 413 HG13 VAL 55 3HG1 VAL 55 7.632 -2.869 -1.849 414 HG21 VAL 55 3HG2 VAL 55 4.392 -1.540 -2.798 415 HG22 VAL 55 1HG2 VAL 55 5.969 -1.207 -2.079 416 HG23 VAL 55 2HG2 VAL 55 4.723 -2.035 -1.143 417 H ARG 56 H ARG 56 5.232 -5.086 -5.452 418 HA ARG 56 HA ARG 56 3.078 -3.865 -6.984 419 HB2 ARG 56 1HB ARG 56 3.740 -6.816 -6.727 420 HB3 ARG 56 2HB ARG 56 2.862 -6.024 -8.031 421 HG2 ARG 56 1HG ARG 56 5.787 -5.553 -7.348 422 HG3 ARG 56 2HG ARG 56 5.201 -6.538 -8.685 423 HD2 ARG 56 1HD ARG 56 4.985 -3.540 -8.340 424 HD3 ARG 56 2HD ARG 56 5.707 -4.433 -9.672 425 HE ARG 56 HE ARG 56 2.905 -3.817 -9.325 426 HH11 ARG 56 1HH2 ARG 56 5.222 -5.989 -10.714 427 HH12 ARG 56 2HH2 ARG 56 4.167 -6.516 -11.985 428 HH21 ARG 56 1HH1 ARG 56 1.517 -4.509 -10.973 429 HH22 ARG 56 2HH1 ARG 56 2.068 -5.679 -12.133 430 H VAL 57 H VAL 57 1.393 -3.255 -5.778 431 HA VAL 57 HA VAL 57 0.384 -5.015 -3.656 432 HB VAL 57 HB VAL 57 -0.339 -2.192 -4.451 433 HG11 VAL 57 1HG1 VAL 57 -1.375 -4.019 -2.264 434 HG12 VAL 57 2HG1 VAL 57 -2.305 -3.116 -3.455 435 HG13 VAL 57 3HG1 VAL 57 -1.495 -2.264 -2.141 436 HG21 VAL 57 3HG2 VAL 57 1.869 -2.287 -3.479 437 HG22 VAL 57 1HG2 VAL 57 1.320 -3.378 -2.208 438 HG23 VAL 57 2HG2 VAL 57 0.774 -1.714 -2.226 439 H THR 58 H THR 58 -1.474 -6.088 -3.739 440 HA THR 58 HA THR 58 -3.074 -5.980 -6.245 441 HB THR 58 HB THR 58 -2.997 -8.157 -4.138 442 HG1 THR 58 HG1 THR 58 -1.321 -8.882 -5.155 443 HG21 THR 58 3HG2 THR 58 -4.073 -9.480 -5.977 444 HG22 THR 58 1HG2 THR 58 -4.185 -7.996 -6.923 445 HG23 THR 58 2HG2 THR 58 -5.074 -8.143 -5.409 446 H PHE 59 H PHE 59 -5.272 -5.528 -6.159 447 HA PHE 59 HA PHE 59 -6.619 -5.419 -3.560 448 HB2 PHE 59 1HB PHE 59 -7.239 -3.118 -3.700 449 HB3 PHE 59 2HB PHE 59 -5.500 -3.165 -3.953 450 HD1 PHE 59 HD1 PHE 59 -4.533 -2.800 -6.222 451 HD2 PHE 59 HD2 PHE 59 -8.779 -2.540 -5.534 452 HE1 PHE 59 HE1 PHE 59 -4.834 -1.654 -8.403 453 HE2 PHE 59 HE2 PHE 59 -9.048 -1.387 -7.697 454 HZ PHE 59 HZ PHE 59 -7.085 -0.938 -9.128 455 H ILE 60 H ILE 60 -8.922 -5.297 -3.784 456 HA ILE 60 HA ILE 60 -9.927 -6.123 -6.439 457 HB ILE 60 HB ILE 60 -10.573 -6.991 -3.647 458 HG12 ILE 60 1HG1 ILE 60 -10.644 -9.198 -4.700 459 HG13 ILE 60 2HG1 ILE 60 -10.589 -8.466 -6.307 460 HG21 ILE 60 1HG2 ILE 60 -12.764 -6.238 -4.250 461 HG22 ILE 60 2HG2 ILE 60 -12.766 -7.976 -4.541 462 HG23 ILE 60 3HG2 ILE 60 -12.603 -6.855 -5.897 463 HD11 ILE 60 3HD1 ILE 60 -8.380 -9.411 -5.178 464 HD12 ILE 60 1HD1 ILE 60 -8.366 -7.838 -4.378 465 HD13 ILE 60 2HD1 ILE 60 -8.338 -7.933 -6.139 466 H ARG 61 H ARG 61 -11.451 -5.102 -7.423 467 HA ARG 61 HA ARG 61 -13.134 -3.143 -6.039 468 HB2 ARG 61 1HB ARG 61 -11.223 -1.881 -6.859 469 HB3 ARG 61 2HB ARG 61 -11.464 -2.511 -8.476 470 HG2 ARG 61 1HG ARG 61 -13.652 -1.420 -8.617 471 HG3 ARG 61 2HG ARG 61 -13.517 -0.879 -6.945 472 HD2 ARG 61 1HD ARG 61 -12.906 0.956 -8.420 473 HD3 ARG 61 2HD ARG 61 -11.463 0.397 -7.569 474 HE ARG 61 HE ARG 61 -11.746 -0.999 -10.023 475 HH11 ARG 61 1HH2 ARG 61 -10.924 2.118 -8.723 476 HH12 ARG 61 2HH2 ARG 61 -9.881 2.531 -10.045 477 HH21 ARG 61 1HH1 ARG 61 -10.393 -0.462 -11.729 478 HH22 ARG 61 2HH1 ARG 61 -9.580 1.071 -11.747 479 H ASP 62 H ASP 62 -15.139 -3.455 -6.559 480 HA ASP 62 HA ASP 62 -17.044 -4.326 -7.592 481 HB2 ASP 62 1HB ASP 62 -15.523 -3.192 -9.954 482 HB3 ASP 62 2HB ASP 62 -17.204 -3.712 -10.028 483 H ARG 63 H ARG 63 -15.290 -6.365 -7.033 484 HA ARG 63 HA ARG 63 -14.899 -8.538 -7.513 485 HB2 ARG 63 1HB ARG 63 -17.321 -8.342 -8.389 486 HB3 ARG 63 2HB ARG 63 -16.609 -8.270 -9.997 487 HG2 ARG 63 1HG ARG 63 -15.537 -10.454 -9.655 488 HG3 ARG 63 2HG ARG 63 -16.150 -10.517 -8.007 489 HD2 ARG 63 1HD ARG 63 -18.454 -10.480 -8.874 490 HD3 ARG 63 2HD ARG 63 -17.831 -10.428 -10.522 491 HE ARG 63 HE ARG 63 -17.996 -12.745 -8.831 492 HH11 ARG 63 1HH2 ARG 63 -16.203 -11.185 -11.351 493 HH12 ARG 63 2HH2 ARG 63 -15.565 -12.662 -12.000 494 HH21 ARG 63 1HH1 ARG 63 -17.155 -14.683 -9.668 495 HH22 ARG 63 2HH1 ARG 63 -16.105 -14.642 -11.048 496 H LYS 64 H LYS 64 -13.648 -6.087 -9.161 497 HA LYS 64 HA LYS 64 -12.143 -7.758 -11.099 498 HB2 LYS 64 1HB LYS 64 -12.487 -4.749 -11.081 499 HB3 LYS 64 2HB LYS 64 -11.670 -5.705 -12.307 500 HG2 LYS 64 1HG LYS 64 -13.862 -6.910 -12.700 501 HG3 LYS 64 2HG LYS 64 -14.616 -5.728 -11.641 502 HD2 LYS 64 1HD LYS 64 -13.093 -5.080 -14.167 503 HD3 LYS 64 2HD LYS 64 -14.845 -5.080 -14.004 504 HE2 LYS 64 1HE LYS 64 -14.432 -2.807 -13.654 505 HE3 LYS 64 2HE LYS 64 -14.272 -3.368 -11.990 506 HZ1 LYS 64 3HZ LYS 64 -11.951 -3.381 -12.158 507 HZ2 LYS 64 1HZ LYS 64 -12.419 -1.938 -12.916 508 HZ3 LYS 64 2HZ LYS 64 -11.976 -3.283 -13.852 509 H GLN 65 H GLN 65 -10.219 -8.323 -10.361 510 HA GLN 65 HA GLN 65 -8.858 -6.770 -8.308 511 HB2 GLN 65 1HB GLN 65 -7.334 -8.679 -8.192 512 HB3 GLN 65 2HB GLN 65 -9.009 -9.209 -8.059 513 HG2 GLN 65 1HG GLN 65 -8.984 -9.712 -10.515 514 HG3 GLN 65 2HG GLN 65 -7.268 -9.325 -10.535 515 HE21 GLN 65 2HE2 GLN 65 -6.693 -11.554 -11.083 516 HE22 GLN 65 1HE2 GLN 65 -6.803 -12.792 -9.925 517 H HIS 66 H HIS 66 -6.915 -5.788 -8.522 518 HA HIS 66 HA HIS 66 -5.446 -5.880 -11.043 519 HB2 HIS 66 1HB HIS 66 -6.640 -3.307 -10.003 520 HB3 HIS 66 2HB HIS 66 -5.504 -3.437 -11.336 521 HD1 HIS 66 HD1 HIS 66 -6.373 -4.539 -13.550 522 HD2 HIS 66 HD2 HIS 66 -9.291 -4.042 -10.608 523 HE1 HIS 66 HE1 HIS 66 -8.607 -4.887 -14.693 524 HE2 HIS 66 HE2 HIS 66 -10.394 -4.572 -12.920 525 H GLU 67 H GLU 67 -3.353 -5.166 -10.863 526 HA GLU 67 HA GLU 67 -2.240 -5.000 -8.189 527 HB2 GLU 67 1HB GLU 67 -0.985 -5.322 -10.916 528 HB3 GLU 67 2HB GLU 67 -0.048 -5.170 -9.433 529 HG2 GLU 67 1HG GLU 67 -1.118 -7.161 -8.513 530 HG3 GLU 67 2HG GLU 67 -2.136 -7.304 -9.945 531 H ALA 68 H ALA 68 -1.648 -3.172 -7.283 532 HA ALA 68 HA ALA 68 -1.471 -0.684 -8.869 533 HB1 ALA 68 3HB ALA 68 -3.141 -0.749 -7.028 534 HB2 ALA 68 1HB ALA 68 -1.902 0.477 -6.766 535 HB3 ALA 68 2HB ALA 68 -1.840 -1.046 -5.885 536 H GLU 69 H GLU 69 0.366 0.156 -9.177 537 HA GLU 69 HA GLU 69 2.817 -0.792 -7.863 538 HB2 GLU 69 1HB GLU 69 2.407 1.174 -10.142 539 HB3 GLU 69 2HB GLU 69 3.979 0.677 -9.518 540 HG2 GLU 69 1HG GLU 69 3.507 -1.655 -10.089 541 HG3 GLU 69 2HG GLU 69 1.896 -1.212 -10.645 542 H LEU 70 H LEU 70 3.014 0.027 -5.887 543 HA LEU 70 HA LEU 70 2.777 2.970 -5.476 544 HB2 LEU 70 1HB LEU 70 2.637 0.798 -3.378 545 HB3 LEU 70 2HB LEU 70 2.272 2.510 -3.169 546 HG LEU 70 HG LEU 70 0.732 0.508 -4.852 547 HD11 LEU 70 1HD1 LEU 70 0.432 0.569 -2.298 548 HD12 LEU 70 2HD1 LEU 70 -1.029 0.756 -3.263 549 HD13 LEU 70 3HD1 LEU 70 -0.272 2.164 -2.520 550 HD21 LEU 70 3HD2 LEU 70 0.546 3.527 -4.681 551 HD22 LEU 70 1HD2 LEU 70 -0.882 2.561 -5.069 552 HD23 LEU 70 2HD2 LEU 70 0.534 2.502 -6.113 553 H VAL 71 H VAL 71 4.310 4.022 -4.245 554 HA VAL 71 HA VAL 71 6.900 2.638 -3.876 555 HB VAL 71 HB VAL 71 6.672 5.568 -4.615 556 HG11 VAL 71 1HG1 VAL 71 8.985 5.357 -5.164 557 HG12 VAL 71 2HG1 VAL 71 8.902 3.598 -5.207 558 HG13 VAL 71 3HG1 VAL 71 8.810 4.447 -3.664 559 HG21 VAL 71 3HG2 VAL 71 6.740 3.159 -6.464 560 HG22 VAL 71 1HG2 VAL 71 7.175 4.786 -6.982 561 HG23 VAL 71 2HG2 VAL 71 5.538 4.445 -6.426 562 H LEU 72 H LEU 72 7.786 2.807 -1.936 563 HA LEU 72 HA LEU 72 6.442 3.874 0.268 564 HB2 LEU 72 1HB LEU 72 9.275 3.000 -0.243 565 HB3 LEU 72 2HB LEU 72 8.857 3.698 1.314 566 HG LEU 72 HG LEU 72 8.698 1.196 1.296 567 HD11 LEU 72 1HD1 LEU 72 5.835 2.035 1.619 568 HD12 LEU 72 2HD1 LEU 72 7.029 2.883 2.596 569 HD13 LEU 72 3HD1 LEU 72 6.885 1.135 2.714 570 HD21 LEU 72 3HD2 LEU 72 6.325 1.553 -0.560 571 HD22 LEU 72 1HD2 LEU 72 7.100 0.051 -0.074 572 HD23 LEU 72 2HD2 LEU 72 7.933 1.152 -1.163 573 H LYS 73 H LYS 73 6.059 5.884 0.837 574 HA LYS 73 HA LYS 73 7.969 7.991 0.041 575 HB2 LYS 73 1HB LYS 73 5.871 8.094 -1.195 576 HB3 LYS 73 2HB LYS 73 4.983 8.236 0.323 577 HG2 LYS 73 1HG LYS 73 6.106 10.338 0.841 578 HG3 LYS 73 2HG LYS 73 7.161 10.158 -0.561 579 HD2 LYS 73 1HD LYS 73 5.212 10.273 -2.057 580 HD3 LYS 73 2HD LYS 73 4.149 10.441 -0.661 581 HE2 LYS 73 1HE LYS 73 4.626 12.644 -1.652 582 HE3 LYS 73 2HE LYS 73 5.306 12.532 -0.029 583 HZ1 LYS 73 3HZ LYS 73 7.400 12.568 -0.807 584 HZ2 LYS 73 1HZ LYS 73 6.692 13.333 -2.143 585 HZ3 LYS 73 2HZ LYS 73 7.030 11.670 -2.200 586 HA PRO 74 HA PRO 74 7.988 8.483 4.586 587 HB2 PRO 74 1HB PRO 74 10.110 10.192 4.782 588 HB3 PRO 74 2HB PRO 74 10.319 8.458 4.453 589 HG2 PRO 74 1HG PRO 74 10.369 10.761 2.540 590 HG3 PRO 74 2HG PRO 74 11.419 9.330 2.604 591 HD2 PRO 74 1HD PRO 74 9.298 9.563 0.869 592 HD3 PRO 74 2HD PRO 74 9.889 7.998 1.464 593 H PHE 75 H PHE 75 8.192 10.526 6.053 594 HA PHE 75 HA PHE 75 6.154 12.389 5.102 595 HB2 PHE 75 1HB PHE 75 6.993 11.328 7.679 596 HB3 PHE 75 2HB PHE 75 6.887 13.082 7.762 597 HD1 PHE 75 HD2 PHE 75 5.025 10.212 6.244 598 HD2 PHE 75 HD1 PHE 75 4.755 13.924 8.398 599 HE1 PHE 75 HE2 PHE 75 2.559 9.986 6.331 600 HE2 PHE 75 HE1 PHE 75 2.296 13.692 8.484 601 HZ PHE 75 HZ PHE 75 1.194 11.727 7.452 602 HA PRO 76 HA PRO 76 8.991 15.677 4.273 603 HB2 PRO 76 1HB PRO 76 7.470 17.909 4.815 604 HB3 PRO 76 2HB PRO 76 7.204 16.876 3.395 605 HG2 PRO 76 1HG PRO 76 5.730 16.908 6.008 606 HG3 PRO 76 2HG PRO 76 5.088 16.752 4.359 607 HD2 PRO 76 1HD PRO 76 5.436 14.591 6.021 608 HD3 PRO 76 2HD PRO 76 5.566 14.474 4.248 609 H HIS 77 H HIS 77 7.142 16.642 7.180 610 HA HIS 77 HA HIS 77 9.639 17.596 8.442 611 HB2 HIS 77 1HB HIS 77 6.756 18.062 9.238 612 HB3 HIS 77 2HB HIS 77 8.179 18.826 9.947 613 HD1 HIS 77 HD1 HIS 77 9.745 20.141 8.038 614 HD2 HIS 77 HD2 HIS 77 5.716 19.540 7.140 615 HE1 HIS 77 HE1 HIS 77 9.170 21.773 6.186 616 HE2 HIS 77 HE2 HIS 77 6.718 21.417 5.629 617 H HIS 78 H HIS 78 8.618 14.736 8.191 618 HA HIS 78 HA HIS 78 9.396 13.927 10.829 619 HB2 HIS 78 1HB HIS 78 6.838 14.561 10.908 620 HB3 HIS 78 2HB HIS 78 6.605 13.024 10.086 621 HD1 HIS 78 HD1 HIS 78 9.465 12.471 12.058 622 HD2 HIS 78 HD2 HIS 78 5.404 12.751 12.943 623 HE1 HIS 78 HE1 HIS 78 9.147 11.353 14.302 624 HE2 HIS 78 HE2 HIS 78 6.674 11.513 14.858 625 HA PRO 79 HA PRO 79 9.707 11.104 6.927 626 HB2 PRO 79 1HB PRO 79 12.532 11.097 6.935 627 HB3 PRO 79 2HB PRO 79 11.513 12.100 5.881 628 HG2 PRO 79 1HG PRO 79 12.835 12.822 8.474 629 HG3 PRO 79 2HG PRO 79 12.657 13.792 6.997 630 HD2 PRO 79 1HD PRO 79 11.080 14.240 9.129 631 HD3 PRO 79 2HD PRO 79 10.410 14.344 7.481 632 H ASN 80 H ASN 80 10.629 11.222 10.157 633 HA ASN 80 HA ASN 80 12.040 8.860 10.564 634 HB2 ASN 80 1HB ASN 80 11.689 10.524 12.330 635 HB3 ASN 80 2HB ASN 80 9.970 10.146 12.358 636 HD21 ASN 80 2HD2 ASN 80 13.174 8.962 13.271 637 HD22 ASN 80 1HD2 ASN 80 12.622 7.665 14.219 638 H GLN 81 H GLN 81 8.927 9.211 9.258 639 HA GLN 81 HA GLN 81 8.300 6.373 9.811 640 HB2 GLN 81 1HB GLN 81 6.665 8.815 10.310 641 HB3 GLN 81 2HB GLN 81 5.799 7.521 9.491 642 HG2 GLN 81 1HG GLN 81 5.561 7.315 11.931 643 HG3 GLN 81 2HG GLN 81 6.464 5.949 11.276 644 HE21 GLN 81 2HE2 GLN 81 7.654 9.277 11.942 645 HE22 GLN 81 1HE2 GLN 81 8.836 8.788 13.061 646 H ILE 82 H ILE 82 7.050 5.355 8.202 647 HA ILE 82 HA ILE 82 6.907 6.684 5.587 648 HB ILE 82 HB ILE 82 8.107 3.926 5.741 649 HG12 ILE 82 1HG1 ILE 82 9.618 6.556 5.984 650 HG13 ILE 82 2HG1 ILE 82 9.518 5.312 7.226 651 HG21 ILE 82 1HG2 ILE 82 7.290 5.008 3.592 652 HG22 ILE 82 2HG2 ILE 82 8.980 4.495 3.571 653 HG23 ILE 82 3HG2 ILE 82 8.571 6.197 3.793 654 HD11 ILE 82 3HD1 ILE 82 11.601 4.992 6.142 655 HD12 ILE 82 1HD1 ILE 82 10.874 5.133 4.546 656 HD13 ILE 82 2HD1 ILE 82 10.543 3.716 5.540 657 H GLY 83 H GLY 83 5.291 5.957 4.265 658 HA2 GLY 83 1HA GLY 83 3.428 4.783 3.596 659 HA3 GLY 83 2HA GLY 83 3.927 3.477 4.665 660 H LEU 84 H LEU 84 3.855 6.248 6.464 661 HA LEU 84 HA LEU 84 1.628 5.410 7.990 662 HB2 LEU 84 1HB LEU 84 3.461 6.653 8.993 663 HB3 LEU 84 2HB LEU 84 3.100 8.050 7.986 664 HG LEU 84 HG LEU 84 0.898 8.309 9.077 665 HD11 LEU 84 1HD1 LEU 84 0.155 6.159 9.670 666 HD12 LEU 84 2HD1 LEU 84 0.588 6.831 11.237 667 HD13 LEU 84 3HD1 LEU 84 1.689 5.718 10.423 668 HD21 LEU 84 3HD2 LEU 84 1.684 9.007 11.271 669 HD22 LEU 84 1HD2 LEU 84 2.923 9.370 10.071 670 HD23 LEU 84 2HD2 LEU 84 3.105 7.972 11.130 671 H GLY 85 H GLY 85 2.033 7.936 5.552 672 HA2 GLY 85 1HA GLY 85 -0.083 9.552 5.670 673 HA3 GLY 85 2HA GLY 85 0.409 8.847 4.135 674 H VAL 86 H VAL 86 -0.336 6.226 4.409 675 HA VAL 86 HA VAL 86 -3.297 6.376 4.654 676 HB VAL 86 HB VAL 86 -1.618 4.501 2.969 677 HG11 VAL 86 1HG1 VAL 86 -3.879 4.123 1.867 678 HG12 VAL 86 2HG1 VAL 86 -4.602 5.003 3.212 679 HG13 VAL 86 3HG1 VAL 86 -3.740 3.493 3.505 680 HG21 VAL 86 3HG2 VAL 86 -1.458 6.853 2.205 681 HG22 VAL 86 1HG2 VAL 86 -3.217 6.963 2.197 682 HG23 VAL 86 2HG2 VAL 86 -2.398 5.883 1.073 683 H THR 87 H THR 87 -4.403 4.494 5.421 684 HA THR 87 HA THR 87 -3.161 3.349 7.720 685 HB THR 87 HB THR 87 -5.596 4.006 7.477 686 HG1 THR 87 HG1 THR 87 -6.250 2.174 8.720 687 HG21 THR 87 3HG2 THR 87 -5.872 1.302 6.132 688 HG22 THR 87 1HG2 THR 87 -5.883 2.828 5.245 689 HG23 THR 87 2HG2 THR 87 -7.132 2.488 6.445 Start of MODEL 8 1 H1 MET 1 1H MET 1 -14.207 2.089 6.726 2 H2 MET 1 2H MET 1 -13.663 3.455 7.576 3 H3 MET 1 3H MET 1 -15.306 3.301 7.171 4 HA MET 1 HA MET 1 -13.757 1.834 9.206 5 HB2 MET 1 1HB MET 1 -15.067 3.996 9.662 6 HB3 MET 1 2HB MET 1 -16.529 3.071 9.333 7 HG2 MET 1 1HG MET 1 -14.492 2.193 11.404 8 HG3 MET 1 2HG MET 1 -15.843 3.251 11.795 9 HE1 MET 1 3HE MET 1 -18.047 2.337 12.644 10 HE2 MET 1 1HE MET 1 -18.953 1.222 11.609 11 HE3 MET 1 2HE MET 1 -18.277 2.702 10.938 12 H ASN 2 H ASN 2 -13.832 -0.311 8.736 13 HA ASN 2 HA ASN 2 -16.379 -1.660 8.770 14 HB2 ASN 2 1HB ASN 2 -16.237 -0.879 6.412 15 HB3 ASN 2 2HB ASN 2 -14.743 -1.794 6.228 16 HD21 ASN 2 2HD2 ASN 2 -17.325 -2.240 4.816 17 HD22 ASN 2 1HD2 ASN 2 -17.792 -3.827 5.196 18 H GLU 3 H GLU 3 -13.347 -2.577 7.163 19 HA GLU 3 HA GLU 3 -11.835 -4.257 7.571 20 HB2 GLU 3 1HB GLU 3 -12.655 -3.768 10.448 21 HB3 GLU 3 2HB GLU 3 -11.277 -4.735 9.938 22 HG2 GLU 3 1HG GLU 3 -10.269 -2.806 8.844 23 HG3 GLU 3 2HG GLU 3 -11.680 -1.821 9.221 24 H ALA 4 H ALA 4 -13.987 -5.258 6.505 25 HA ALA 4 HA ALA 4 -15.467 -7.122 8.043 26 HB1 ALA 4 3HB ALA 4 -16.286 -7.949 5.936 27 HB2 ALA 4 1HB ALA 4 -14.933 -7.226 5.069 28 HB3 ALA 4 2HB ALA 4 -16.151 -6.196 5.816 29 H LYS 5 H LYS 5 -12.959 -7.827 5.544 30 HA LYS 5 HA LYS 5 -12.255 -10.293 7.063 31 HB2 LYS 5 1HB LYS 5 -12.263 -9.794 4.076 32 HB3 LYS 5 2HB LYS 5 -11.604 -11.235 4.848 33 HG2 LYS 5 1HG LYS 5 -13.818 -11.711 5.845 34 HG3 LYS 5 2HG LYS 5 -14.478 -10.283 5.049 35 HD2 LYS 5 1HD LYS 5 -13.827 -11.258 2.844 36 HD3 LYS 5 2HD LYS 5 -13.293 -12.715 3.678 37 HE2 LYS 5 1HE LYS 5 -16.113 -11.595 3.733 38 HE3 LYS 5 2HE LYS 5 -15.583 -12.986 2.790 39 HZ1 LYS 5 3HZ LYS 5 -15.144 -14.207 4.734 40 HZ2 LYS 5 1HZ LYS 5 -16.658 -13.488 4.987 41 HZ3 LYS 5 2HZ LYS 5 -15.277 -12.840 5.732 42 H GLY 6 H GLY 6 -10.959 -7.720 4.920 43 HA2 GLY 6 1HA GLY 6 -8.232 -8.274 6.006 44 HA3 GLY 6 2HA GLY 6 -8.556 -7.664 4.388 45 H VAL 7 H VAL 7 -8.345 -5.545 4.099 46 HA VAL 7 HA VAL 7 -8.841 -3.680 6.345 47 HB VAL 7 HB VAL 7 -6.416 -3.544 4.531 48 HG11 VAL 7 1HG1 VAL 7 -7.305 -1.985 6.979 49 HG12 VAL 7 2HG1 VAL 7 -7.039 -1.362 5.352 50 HG13 VAL 7 3HG1 VAL 7 -5.672 -1.907 6.318 51 HG21 VAL 7 3HG2 VAL 7 -5.163 -4.218 6.599 52 HG22 VAL 7 1HG2 VAL 7 -6.215 -5.494 5.982 53 HG23 VAL 7 2HG2 VAL 7 -6.708 -4.544 7.383 54 H TYR 8 H TYR 8 -9.171 -1.473 5.651 55 HA TYR 8 HA TYR 8 -10.031 -1.164 2.822 56 HB2 TYR 8 1HB TYR 8 -11.494 -0.414 5.360 57 HB3 TYR 8 2HB TYR 8 -11.915 0.261 3.784 58 HD1 TYR 8 HD2 TYR 8 -11.463 -2.957 5.624 59 HD2 TYR 8 HD1 TYR 8 -13.281 -0.990 2.267 60 HE1 TYR 8 HE2 TYR 8 -12.769 -5.007 5.130 61 HE2 TYR 8 HE1 TYR 8 -14.580 -3.038 1.769 62 HH TYR 8 HH TYR 8 -15.198 -5.050 2.542 63 H VAL 9 H VAL 9 -9.477 0.688 1.850 64 HA VAL 9 HA VAL 9 -7.593 2.452 3.162 65 HB VAL 9 HB VAL 9 -8.833 2.471 0.395 66 HG11 VAL 9 1HG1 VAL 9 -6.831 3.998 -0.091 67 HG12 VAL 9 2HG1 VAL 9 -6.686 4.189 1.658 68 HG13 VAL 9 3HG1 VAL 9 -8.146 4.720 0.834 69 HG21 VAL 9 3HG2 VAL 9 -7.353 0.534 0.974 70 HG22 VAL 9 1HG2 VAL 9 -6.063 1.678 1.342 71 HG23 VAL 9 2HG2 VAL 9 -6.687 1.552 -0.301 72 H MET 10 H MET 10 -8.067 4.325 4.183 73 HA MET 10 HA MET 10 -10.792 5.182 4.430 74 HB2 MET 10 1HB MET 10 -8.296 6.634 5.333 75 HB3 MET 10 2HB MET 10 -9.935 6.830 5.954 76 HG2 MET 10 1HG MET 10 -9.847 4.338 6.573 77 HG3 MET 10 2HG MET 10 -8.114 4.431 6.244 78 HE1 MET 10 3HE MET 10 -7.564 3.652 8.696 79 HE2 MET 10 1HE MET 10 -9.314 3.485 8.900 80 HE3 MET 10 2HE MET 10 -8.356 4.318 10.121 81 H SER 11 H SER 11 -7.916 7.051 3.383 82 HA SER 11 HA SER 11 -9.632 8.458 1.389 83 HB2 SER 11 1HB SER 11 -9.157 9.808 3.475 84 HB3 SER 11 2HB SER 11 -7.458 9.774 3.025 85 HG SER 11 HG SER 11 -7.914 10.925 1.218 86 H VAL 12 H VAL 12 -8.464 9.464 -0.326 87 HA VAL 12 HA VAL 12 -5.834 8.232 -0.991 88 HB VAL 12 HB VAL 12 -7.565 7.084 -2.291 89 HG11 VAL 12 1HG1 VAL 12 -9.092 8.270 -3.746 90 HG12 VAL 12 2HG1 VAL 12 -8.335 9.814 -3.359 91 HG13 VAL 12 3HG1 VAL 12 -9.251 8.947 -2.127 92 HG21 VAL 12 3HG2 VAL 12 -5.343 7.758 -3.350 93 HG22 VAL 12 1HG2 VAL 12 -6.199 9.105 -4.101 94 HG23 VAL 12 2HG2 VAL 12 -6.651 7.448 -4.486 95 H LEU 13 H LEU 13 -4.371 9.624 -1.869 96 HA LEU 13 HA LEU 13 -5.238 12.433 -2.131 97 HB2 LEU 13 1HB LEU 13 -2.829 11.147 -0.993 98 HB3 LEU 13 2HB LEU 13 -2.526 12.621 -1.893 99 HG LEU 13 HG LEU 13 -4.232 13.794 -0.506 100 HD11 LEU 13 1HD1 LEU 13 -5.689 12.020 0.163 101 HD12 LEU 13 2HD1 LEU 13 -4.906 12.564 1.640 102 HD13 LEU 13 3HD1 LEU 13 -4.364 11.083 0.851 103 HD21 LEU 13 3HD2 LEU 13 -1.834 13.831 0.105 104 HD22 LEU 13 1HD2 LEU 13 -2.074 12.388 1.091 105 HD23 LEU 13 2HD2 LEU 13 -2.870 13.898 1.531 106 HA PRO 14 HA PRO 14 -4.193 12.265 -6.434 107 HB2 PRO 14 1HB PRO 14 -3.874 14.932 -6.987 108 HB3 PRO 14 2HB PRO 14 -5.461 14.215 -6.636 109 HG2 PRO 14 1HG PRO 14 -3.632 15.730 -4.800 110 HG3 PRO 14 2HG PRO 14 -5.390 15.877 -5.007 111 HD2 PRO 14 1HD PRO 14 -4.278 14.446 -2.955 112 HD3 PRO 14 2HD PRO 14 -5.839 14.012 -3.691 113 H ASN 15 H ASN 15 -2.031 13.769 -4.132 114 HA ASN 15 HA ASN 15 0.224 13.769 -6.045 115 HB2 ASN 15 1HB ASN 15 -0.038 14.877 -3.239 116 HB3 ASN 15 2HB ASN 15 1.421 14.967 -4.225 117 HD21 ASN 15 2HD2 ASN 15 -0.965 16.935 -3.281 118 HD22 ASN 15 1HD2 ASN 15 -1.186 17.865 -4.684 119 H MET 16 H MET 16 -1.100 11.360 -4.569 120 HA MET 16 HA MET 16 1.382 10.330 -3.339 121 HB2 MET 16 1HB MET 16 -1.528 9.870 -2.729 122 HB3 MET 16 2HB MET 16 -0.356 8.645 -2.278 123 HG2 MET 16 1HG MET 16 0.960 10.530 -1.115 124 HG3 MET 16 2HG MET 16 -0.480 11.519 -1.338 125 HE1 MET 16 3HE MET 16 1.207 10.225 1.378 126 HE2 MET 16 1HE MET 16 -0.197 10.435 2.436 127 HE3 MET 16 2HE MET 16 0.200 11.661 1.237 128 HA PRO 17 HA PRO 17 2.000 7.240 -6.373 129 HB2 PRO 17 1HB PRO 17 1.845 5.117 -4.250 130 HB3 PRO 17 2HB PRO 17 3.129 5.422 -5.438 131 HG2 PRO 17 1HG PRO 17 3.433 6.102 -2.874 132 HG3 PRO 17 2HG PRO 17 4.065 7.131 -4.175 133 HD2 PRO 17 1HD PRO 17 1.635 7.538 -2.462 134 HD3 PRO 17 2HD PRO 17 2.755 8.726 -3.139 135 H ALA 18 H ALA 18 -0.637 6.562 -4.078 136 HA ALA 18 HA ALA 18 -1.890 4.553 -5.681 137 HB1 ALA 18 3HB ALA 18 -2.421 4.384 -3.409 138 HB2 ALA 18 1HB ALA 18 -3.842 5.247 -4.004 139 HB3 ALA 18 2HB ALA 18 -2.536 6.131 -3.210 140 H ALA 19 H ALA 19 -1.657 7.867 -6.021 141 HA ALA 19 HA ALA 19 -4.279 8.568 -6.856 142 HB1 ALA 19 3HB ALA 19 -1.718 9.778 -7.922 143 HB2 ALA 19 1HB ALA 19 -2.408 10.183 -6.351 144 HB3 ALA 19 2HB ALA 19 -3.307 10.534 -7.827 145 H GLY 20 H GLY 20 -5.355 7.471 -8.389 146 HA2 GLY 20 1HA GLY 20 -5.880 7.111 -10.668 147 HA3 GLY 20 2HA GLY 20 -4.175 7.239 -11.082 148 H ARG 21 H ARG 21 -3.831 5.393 -8.548 149 HA ARG 21 HA ARG 21 -4.176 2.833 -10.038 150 HB2 ARG 21 1HB ARG 21 -2.284 3.608 -7.811 151 HB3 ARG 21 2HB ARG 21 -2.404 1.997 -8.512 152 HG2 ARG 21 1HG ARG 21 -1.798 2.893 -10.716 153 HG3 ARG 21 2HG ARG 21 -1.716 4.523 -10.042 154 HD2 ARG 21 1HD ARG 21 0.071 3.792 -8.499 155 HD3 ARG 21 2HD ARG 21 -0.018 2.175 -9.173 156 HE ARG 21 HE ARG 21 1.104 2.925 -11.087 157 HH11 ARG 21 1HH2 ARG 21 0.188 5.559 -9.029 158 HH12 ARG 21 2HH2 ARG 21 1.175 6.722 -9.857 159 HH21 ARG 21 1HH1 ARG 21 2.399 4.440 -12.164 160 HH22 ARG 21 2HH1 ARG 21 2.424 6.090 -11.628 161 H LEU 22 H LEU 22 -4.519 4.367 -6.908 162 HA LEU 22 HA LEU 22 -6.476 2.298 -6.088 163 HB2 LEU 22 1HB LEU 22 -3.961 2.967 -4.806 164 HB3 LEU 22 2HB LEU 22 -5.269 3.371 -3.700 165 HG LEU 22 HG LEU 22 -5.075 0.674 -5.094 166 HD11 LEU 22 1HD1 LEU 22 -4.165 -0.171 -2.962 167 HD12 LEU 22 2HD1 LEU 22 -4.123 1.475 -2.328 168 HD13 LEU 22 3HD1 LEU 22 -3.089 1.026 -3.686 169 HD21 LEU 22 3HD2 LEU 22 -6.620 1.687 -2.678 170 HD22 LEU 22 1HD2 LEU 22 -6.595 0.012 -3.220 171 HD23 LEU 22 2HD2 LEU 22 -7.315 1.256 -4.235 172 H GLU 23 H GLU 23 -8.082 2.947 -4.581 173 HA GLU 23 HA GLU 23 -8.535 5.855 -4.320 174 HB2 GLU 23 1HB GLU 23 -10.402 3.910 -5.698 175 HB3 GLU 23 2HB GLU 23 -10.903 5.503 -5.132 176 HG2 GLU 23 1HG GLU 23 -9.106 6.522 -6.554 177 HG3 GLU 23 2HG GLU 23 -8.721 4.916 -7.164 178 H ALA 24 H ALA 24 -10.177 6.391 -2.839 179 HA ALA 24 HA ALA 24 -10.134 4.887 -0.449 180 HB1 ALA 24 3HB ALA 24 -11.749 6.516 0.389 181 HB2 ALA 24 1HB ALA 24 -12.077 7.065 -1.255 182 HB3 ALA 24 2HB ALA 24 -10.494 7.343 -0.534 183 H GLY 25 H GLY 25 -11.475 3.342 0.332 184 HA2 GLY 25 1HA GLY 25 -13.651 2.328 0.545 185 HA3 GLY 25 2HA GLY 25 -13.970 2.704 -1.147 186 H ASP 26 H ASP 26 -11.129 1.919 -1.829 187 HA ASP 26 HA ASP 26 -11.670 -0.848 -2.425 188 HB2 ASP 26 1HB ASP 26 -9.140 0.783 -2.718 189 HB3 ASP 26 2HB ASP 26 -9.380 -0.813 -3.379 190 H ARG 27 H ARG 27 -10.544 -2.691 -1.681 191 HA ARG 27 HA ARG 27 -9.225 -2.398 0.969 192 HB2 ARG 27 1HB ARG 27 -9.999 -4.740 1.374 193 HB3 ARG 27 2HB ARG 27 -11.311 -3.575 1.229 194 HG2 ARG 27 1HG ARG 27 -11.791 -4.275 -1.024 195 HG3 ARG 27 2HG ARG 27 -10.335 -5.266 -1.091 196 HD2 ARG 27 1HD ARG 27 -11.203 -6.795 0.552 197 HD3 ARG 27 2HD ARG 27 -12.577 -5.752 0.897 198 HE ARG 27 HE ARG 27 -12.465 -6.522 -1.873 199 HH11 ARG 27 1HH2 ARG 27 -13.341 -7.541 1.316 200 HH12 ARG 27 2HH2 ARG 27 -14.550 -8.660 0.774 201 HH21 ARG 27 1HH1 ARG 27 -14.042 -7.979 -2.590 202 HH22 ARG 27 2HH1 ARG 27 -14.948 -8.908 -1.439 203 H ILE 28 H ILE 28 -7.509 -3.829 1.446 204 HA ILE 28 HA ILE 28 -5.930 -4.553 -0.949 205 HB ILE 28 HB ILE 28 -4.960 -4.550 1.922 206 HG12 ILE 28 1HG1 ILE 28 -5.876 -2.338 1.551 207 HG13 ILE 28 2HG1 ILE 28 -4.122 -2.235 1.437 208 HG21 ILE 28 1HG2 ILE 28 -2.783 -4.178 0.819 209 HG22 ILE 28 2HG2 ILE 28 -3.571 -4.208 -0.757 210 HG23 ILE 28 3HG2 ILE 28 -3.541 -5.662 0.244 211 HD11 ILE 28 3HD1 ILE 28 -6.150 -2.170 -0.805 212 HD12 ILE 28 1HD1 ILE 28 -4.447 -2.507 -1.117 213 HD13 ILE 28 2HD1 ILE 28 -4.925 -0.968 -0.404 214 H ALA 29 H ALA 29 -5.923 -6.571 -1.595 215 HA ALA 29 HA ALA 29 -6.789 -8.739 0.219 216 HB1 ALA 29 3HB ALA 29 -6.375 -8.600 -2.772 217 HB2 ALA 29 1HB ALA 29 -7.906 -8.685 -1.904 218 HB3 ALA 29 2HB ALA 29 -6.822 -10.074 -1.910 219 H ALA 30 H ALA 30 -3.958 -7.444 -1.235 220 HA ALA 30 HA ALA 30 -2.211 -9.135 0.208 221 HB1 ALA 30 3HB ALA 30 -1.181 -10.339 -1.771 222 HB2 ALA 30 1HB ALA 30 -2.620 -9.881 -2.686 223 HB3 ALA 30 2HB ALA 30 -2.770 -10.920 -1.272 224 H ILE 31 H ILE 31 0.015 -8.761 -0.235 225 HA ILE 31 HA ILE 31 0.655 -6.436 -1.947 226 HB ILE 31 HB ILE 31 1.475 -6.662 0.961 227 HG12 ILE 31 1HG1 ILE 31 -0.115 -4.538 -0.501 228 HG13 ILE 31 2HG1 ILE 31 -0.845 -5.812 0.470 229 HG21 ILE 31 1HG2 ILE 31 3.370 -5.798 -0.253 230 HG22 ILE 31 2HG2 ILE 31 2.568 -4.395 0.442 231 HG23 ILE 31 3HG2 ILE 31 2.346 -4.782 -1.263 232 HD11 ILE 31 3HD1 ILE 31 -0.673 -3.846 1.865 233 HD12 ILE 31 1HD1 ILE 31 1.021 -3.631 1.435 234 HD13 ILE 31 2HD1 ILE 31 0.531 -5.002 2.425 235 H ASP 32 H ASP 32 2.301 -6.846 -3.207 236 HA ASP 32 HA ASP 32 4.085 -7.935 -4.160 237 HB2 ASP 32 1HB ASP 32 5.114 -6.634 -2.254 238 HB3 ASP 32 2HB ASP 32 5.083 -8.120 -1.308 239 H GLY 33 H GLY 33 1.806 -9.581 -3.004 240 HA2 GLY 33 1HA GLY 33 1.441 -11.881 -3.529 241 HA3 GLY 33 2HA GLY 33 3.142 -12.214 -3.226 242 H GLN 34 H GLN 34 2.404 -10.259 -0.779 243 HA GLN 34 HA GLN 34 2.037 -12.481 1.061 244 HB2 GLN 34 1HB GLN 34 2.465 -9.565 1.705 245 HB3 GLN 34 2HB GLN 34 2.597 -10.924 2.820 246 HG2 GLN 34 1HG GLN 34 4.312 -10.534 0.349 247 HG3 GLN 34 2HG GLN 34 4.820 -10.187 1.998 248 HE21 GLN 34 2HE2 GLN 34 4.143 -12.321 3.503 249 HE22 GLN 34 1HE2 GLN 34 4.749 -13.773 2.864 250 HA PRO 35 HA PRO 35 -2.359 -11.389 1.360 251 HB2 PRO 35 1HB PRO 35 -3.175 -13.337 3.099 252 HB3 PRO 35 2HB PRO 35 -2.778 -13.692 1.402 253 HG2 PRO 35 1HG PRO 35 -1.103 -14.091 3.856 254 HG3 PRO 35 2HG PRO 35 -1.320 -15.163 2.459 255 HD2 PRO 35 1HD PRO 35 0.864 -13.505 2.765 256 HD3 PRO 35 2HD PRO 35 0.256 -14.025 1.176 257 H ILE 36 H ILE 36 -3.310 -9.876 2.597 258 HA ILE 36 HA ILE 36 -2.132 -9.213 5.220 259 HB ILE 36 HB ILE 36 -4.110 -7.589 3.621 260 HG12 ILE 36 1HG1 ILE 36 -2.249 -7.934 2.160 261 HG13 ILE 36 2HG1 ILE 36 -2.076 -6.323 2.831 262 HG21 ILE 36 1HG2 ILE 36 -3.759 -7.010 6.039 263 HG22 ILE 36 2HG2 ILE 36 -3.258 -5.733 4.938 264 HG23 ILE 36 3HG2 ILE 36 -2.047 -6.770 5.692 265 HD11 ILE 36 3HD1 ILE 36 -0.514 -8.821 3.490 266 HD12 ILE 36 1HD1 ILE 36 -0.564 -7.468 4.617 267 HD13 ILE 36 2HD1 ILE 36 0.093 -7.245 2.998 268 H ASN 37 H ASN 37 -3.023 -10.127 6.838 269 HA ASN 37 HA ASN 37 -5.994 -10.320 7.097 270 HB2 ASN 37 1HB ASN 37 -5.624 -12.175 8.644 271 HB3 ASN 37 2HB ASN 37 -4.891 -12.516 7.082 272 HD21 ASN 37 2HD2 ASN 37 -2.516 -12.444 6.950 273 HD22 ASN 37 1HD2 ASN 37 -1.570 -12.525 8.358 274 H THR 38 H THR 38 -3.125 -8.952 8.413 275 HA THR 38 HA THR 38 -4.691 -7.733 10.615 276 HB THR 38 HB THR 38 -3.523 -9.390 11.836 277 HG1 THR 38 HG1 THR 38 -2.288 -8.171 13.107 278 HG21 THR 38 3HG2 THR 38 -1.994 -10.085 9.986 279 HG22 THR 38 1HG2 THR 38 -1.196 -9.958 11.552 280 HG23 THR 38 2HG2 THR 38 -1.007 -8.685 10.361 281 H SER 39 H SER 39 -3.842 -5.793 11.422 282 HA SER 39 HA SER 39 -2.773 -4.080 9.421 283 HB2 SER 39 1HB SER 39 -3.075 -3.697 12.413 284 HB3 SER 39 2HB SER 39 -2.629 -2.425 11.283 285 HG SER 39 HG SER 39 -5.057 -3.369 11.891 286 H GLU 40 H GLU 40 -1.419 -6.181 11.825 287 HA GLU 40 HA GLU 40 1.120 -4.898 12.112 288 HB2 GLU 40 1HB GLU 40 0.317 -7.796 12.474 289 HB3 GLU 40 2HB GLU 40 1.847 -7.096 13.004 290 HG2 GLU 40 1HG GLU 40 -0.871 -6.102 13.904 291 HG3 GLU 40 2HG GLU 40 0.113 -7.241 14.822 292 H GLN 41 H GLN 41 -0.177 -7.258 9.859 293 HA GLN 41 HA GLN 41 2.216 -8.114 8.694 294 HB2 GLN 41 1HB GLN 41 -0.045 -9.090 8.241 295 HB3 GLN 41 2HB GLN 41 -0.413 -7.682 7.250 296 HG2 GLN 41 1HG GLN 41 0.329 -9.454 5.787 297 HG3 GLN 41 2HG GLN 41 1.605 -8.243 5.841 298 HE21 GLN 41 2HE2 GLN 41 3.469 -9.551 5.593 299 HE22 GLN 41 1HE2 GLN 41 3.862 -10.834 6.633 300 H ILE 42 H ILE 42 0.393 -5.107 8.257 301 HA ILE 42 HA ILE 42 1.840 -4.237 5.948 302 HB ILE 42 HB ILE 42 0.184 -2.684 7.952 303 HG12 ILE 42 1HG1 ILE 42 -1.130 -4.506 6.972 304 HG13 ILE 42 2HG1 ILE 42 -1.654 -2.963 6.299 305 HG21 ILE 42 1HG2 ILE 42 1.605 -1.239 6.569 306 HG22 ILE 42 2HG2 ILE 42 -0.084 -1.074 6.093 307 HG23 ILE 42 3HG2 ILE 42 1.011 -2.040 5.115 308 HD11 ILE 42 3HD1 ILE 42 -0.124 -5.186 4.986 309 HD12 ILE 42 1HD1 ILE 42 0.112 -3.547 4.388 310 HD13 ILE 42 2HD1 ILE 42 -1.492 -4.268 4.373 311 H VAL 43 H VAL 43 2.332 -4.116 9.386 312 HA VAL 43 HA VAL 43 4.150 -1.899 9.432 313 HB VAL 43 HB VAL 43 3.789 -4.195 11.374 314 HG11 VAL 43 1HG1 VAL 43 5.926 -3.159 11.775 315 HG12 VAL 43 2HG1 VAL 43 4.811 -2.549 12.994 316 HG13 VAL 43 3HG1 VAL 43 5.231 -1.546 11.607 317 HG21 VAL 43 3HG2 VAL 43 2.381 -2.615 12.618 318 HG22 VAL 43 1HG2 VAL 43 1.749 -2.827 10.985 319 HG23 VAL 43 2HG2 VAL 43 2.665 -1.378 11.394 320 H SER 44 H SER 44 4.514 -5.448 9.198 321 HA SER 44 HA SER 44 7.350 -5.454 9.320 322 HB2 SER 44 1HB SER 44 5.993 -7.478 9.686 323 HB3 SER 44 2HB SER 44 5.464 -7.432 8.010 324 HG SER 44 HG SER 44 7.663 -8.512 9.016 325 H TYR 45 H TYR 45 5.023 -5.268 6.713 326 HA TYR 45 HA TYR 45 6.781 -5.503 4.525 327 HB2 TYR 45 1HB TYR 45 4.623 -5.574 3.705 328 HB3 TYR 45 2HB TYR 45 4.019 -4.506 4.964 329 HD1 TYR 45 HD1 TYR 45 6.563 -4.148 2.204 330 HD2 TYR 45 HD2 TYR 45 3.021 -2.573 4.038 331 HE1 TYR 45 HE1 TYR 45 6.576 -2.243 0.622 332 HE2 TYR 45 HE2 TYR 45 3.031 -0.693 2.444 333 HH TYR 45 HH TYR 45 4.318 0.434 0.948 334 H VAL 46 H VAL 46 5.522 -2.439 5.958 335 HA VAL 46 HA VAL 46 7.124 -0.746 4.427 336 HB VAL 46 HB VAL 46 6.697 0.900 6.254 337 HG11 VAL 46 1HG1 VAL 46 5.028 0.717 4.545 338 HG12 VAL 46 2HG1 VAL 46 4.171 0.756 6.087 339 HG13 VAL 46 3HG1 VAL 46 4.399 -0.774 5.245 340 HG21 VAL 46 3HG2 VAL 46 5.480 -1.493 7.579 341 HG22 VAL 46 1HG2 VAL 46 5.195 0.156 8.105 342 HG23 VAL 46 2HG2 VAL 46 6.813 -0.528 8.178 343 H ARG 47 H ARG 47 7.783 -2.353 7.510 344 HA ARG 47 HA ARG 47 10.280 -1.076 7.987 345 HB2 ARG 47 1HB ARG 47 9.053 -3.649 8.995 346 HB3 ARG 47 2HB ARG 47 10.659 -3.128 9.496 347 HG2 ARG 47 1HG ARG 47 9.717 -1.009 10.336 348 HG3 ARG 47 2HG ARG 47 8.114 -1.510 9.825 349 HD2 ARG 47 1HD ARG 47 8.370 -1.961 12.202 350 HD3 ARG 47 2HD ARG 47 8.275 -3.485 11.318 351 HE ARG 47 HE ARG 47 10.494 -3.914 11.881 352 HH11 ARG 47 1HH2 ARG 47 9.642 -0.623 12.555 353 HH12 ARG 47 2HH2 ARG 47 11.134 -0.261 13.361 354 HH21 ARG 47 1HH1 ARG 47 12.449 -3.442 12.917 355 HH22 ARG 47 2HH1 ARG 47 12.723 -1.857 13.565 356 H GLU 48 H GLU 48 9.367 -4.009 6.208 357 HA GLU 48 HA GLU 48 11.982 -5.013 5.815 358 HB2 GLU 48 1HB GLU 48 9.904 -6.311 5.356 359 HB3 GLU 48 2HB GLU 48 9.592 -5.275 3.966 360 HG2 GLU 48 1HG GLU 48 11.685 -5.995 2.913 361 HG3 GLU 48 2HG GLU 48 12.093 -6.956 4.331 362 H LYS 49 H LYS 49 9.920 -3.053 3.666 363 HA LYS 49 HA LYS 49 12.169 -2.463 1.898 364 HB2 LYS 49 1HB LYS 49 9.339 -1.390 1.744 365 HB3 LYS 49 2HB LYS 49 10.531 -1.465 0.473 366 HG2 LYS 49 1HG LYS 49 9.417 -3.942 1.818 367 HG3 LYS 49 2HG LYS 49 8.744 -3.257 0.346 368 HD2 LYS 49 1HD LYS 49 10.959 -3.511 -0.757 369 HD3 LYS 49 2HD LYS 49 11.575 -4.282 0.699 370 HE2 LYS 49 1HE LYS 49 9.941 -6.074 0.499 371 HE3 LYS 49 2HE LYS 49 9.236 -5.297 -0.920 372 HZ1 LYS 49 3HZ LYS 49 12.099 -5.710 -1.026 373 HZ2 LYS 49 1HZ LYS 49 10.924 -5.948 -2.224 374 HZ3 LYS 49 2HZ LYS 49 11.170 -7.134 -1.035 375 H GLN 50 H GLN 50 12.767 -0.323 1.328 376 HA GLN 50 HA GLN 50 12.544 1.609 3.568 377 HB2 GLN 50 1HB GLN 50 14.728 2.466 2.843 378 HB3 GLN 50 2HB GLN 50 14.813 0.754 3.248 379 HG2 GLN 50 1HG GLN 50 14.538 0.228 0.806 380 HG3 GLN 50 2HG GLN 50 14.646 1.953 0.471 381 HE21 GLN 50 2HE2 GLN 50 16.500 -0.718 2.024 382 HE22 GLN 50 1HE2 GLN 50 18.023 -0.047 1.693 383 H ALA 51 H ALA 51 13.287 3.877 2.652 384 HA ALA 51 HA ALA 51 11.103 4.807 1.093 385 HB1 ALA 51 3HB ALA 51 12.178 6.979 1.202 386 HB2 ALA 51 1HB ALA 51 13.713 6.239 1.651 387 HB3 ALA 51 2HB ALA 51 12.349 6.189 2.769 388 H GLY 52 H GLY 52 10.898 5.190 -1.065 389 HA2 GLY 52 1HA GLY 52 11.609 5.591 -3.274 390 HA3 GLY 52 2HA GLY 52 13.247 5.118 -2.833 391 H ASP 53 H ASP 53 11.314 2.858 -1.476 392 HA ASP 53 HA ASP 53 12.018 0.846 -3.412 393 HB2 ASP 53 1HB ASP 53 11.910 0.410 -0.957 394 HB3 ASP 53 2HB ASP 53 10.160 0.564 -1.038 395 H ARG 54 H ARG 54 10.272 -0.796 -4.054 396 HA ARG 54 HA ARG 54 7.716 0.480 -4.847 397 HB2 ARG 54 1HB ARG 54 9.623 -0.905 -6.767 398 HB3 ARG 54 2HB ARG 54 7.990 -0.364 -7.157 399 HG2 ARG 54 1HG ARG 54 8.631 1.953 -6.619 400 HG3 ARG 54 2HG ARG 54 10.266 1.411 -6.251 401 HD2 ARG 54 1HD ARG 54 10.255 2.276 -8.514 402 HD3 ARG 54 2HD ARG 54 10.451 0.530 -8.580 403 HE ARG 54 HE ARG 54 8.330 0.350 -9.546 404 HH11 ARG 54 1HH2 ARG 54 8.906 3.548 -8.342 405 HH12 ARG 54 2HH2 ARG 54 7.506 4.233 -9.103 406 HH21 ARG 54 1HH1 ARG 54 6.498 1.242 -10.541 407 HH22 ARG 54 2HH1 ARG 54 6.144 2.929 -10.345 408 H VAL 55 H VAL 55 6.078 -0.865 -4.564 409 HA VAL 55 HA VAL 55 6.526 -3.784 -4.688 410 HB VAL 55 HB VAL 55 5.040 -3.998 -2.612 411 HG11 VAL 55 1HG1 VAL 55 7.711 -2.633 -2.180 412 HG12 VAL 55 2HG1 VAL 55 7.545 -4.321 -2.648 413 HG13 VAL 55 3HG1 VAL 55 6.912 -3.772 -1.103 414 HG21 VAL 55 3HG2 VAL 55 4.964 -2.041 -1.145 415 HG22 VAL 55 1HG2 VAL 55 4.228 -1.645 -2.695 416 HG23 VAL 55 2HG2 VAL 55 5.860 -1.086 -2.325 417 H ARG 56 H ARG 56 5.054 -4.876 -5.634 418 HA ARG 56 HA ARG 56 2.815 -3.607 -6.960 419 HB2 ARG 56 1HB ARG 56 3.921 -6.423 -6.855 420 HB3 ARG 56 2HB ARG 56 2.348 -6.121 -7.586 421 HG2 ARG 56 1HG ARG 56 4.109 -6.081 -9.301 422 HG3 ARG 56 2HG ARG 56 3.378 -4.486 -9.134 423 HD2 ARG 56 1HD ARG 56 5.909 -4.494 -9.266 424 HD3 ARG 56 2HD ARG 56 5.243 -3.670 -7.863 425 HE ARG 56 HE ARG 56 5.802 -6.437 -7.325 426 HH11 ARG 56 1HH2 ARG 56 7.174 -3.274 -7.632 427 HH12 ARG 56 2HH2 ARG 56 8.521 -3.609 -6.595 428 HH21 ARG 56 1HH1 ARG 56 7.558 -6.881 -5.965 429 HH22 ARG 56 2HH1 ARG 56 8.740 -5.651 -5.651 430 H VAL 57 H VAL 57 1.144 -3.014 -5.732 431 HA VAL 57 HA VAL 57 0.255 -4.702 -3.493 432 HB VAL 57 HB VAL 57 -0.439 -1.886 -4.369 433 HG11 VAL 57 1HG1 VAL 57 -1.606 -1.858 -2.057 434 HG12 VAL 57 2HG1 VAL 57 -1.556 -3.619 -2.143 435 HG13 VAL 57 3HG1 VAL 57 -2.441 -2.707 -3.361 436 HG21 VAL 57 3HG2 VAL 57 1.815 -2.310 -3.319 437 HG22 VAL 57 1HG2 VAL 57 0.981 -2.916 -1.889 438 HG23 VAL 57 2HG2 VAL 57 0.788 -1.231 -2.375 439 H THR 58 H THR 58 -1.662 -5.752 -3.455 440 HA THR 58 HA THR 58 -3.292 -5.764 -5.940 441 HB THR 58 HB THR 58 -3.176 -7.773 -3.673 442 HG1 THR 58 HG1 THR 58 -1.624 -8.691 -4.732 443 HG21 THR 58 3HG2 THR 58 -4.505 -7.783 -6.396 444 HG22 THR 58 1HG2 THR 58 -5.300 -7.860 -4.824 445 HG23 THR 58 2HG2 THR 58 -4.326 -9.218 -5.386 446 H PHE 59 H PHE 59 -5.465 -5.260 -5.844 447 HA PHE 59 HA PHE 59 -6.791 -5.025 -3.241 448 HB2 PHE 59 1HB PHE 59 -7.385 -2.727 -3.436 449 HB3 PHE 59 2HB PHE 59 -5.654 -2.788 -3.712 450 HD1 PHE 59 HD1 PHE 59 -4.713 -2.474 -5.993 451 HD2 PHE 59 HD2 PHE 59 -8.946 -2.216 -5.265 452 HE1 PHE 59 HE1 PHE 59 -5.042 -1.408 -8.207 453 HE2 PHE 59 HE2 PHE 59 -9.251 -1.138 -7.462 454 HZ PHE 59 HZ PHE 59 -7.306 -0.728 -8.936 455 H ILE 60 H ILE 60 -9.118 -4.988 -3.428 456 HA ILE 60 HA ILE 60 -10.126 -5.833 -6.072 457 HB ILE 60 HB ILE 60 -10.793 -6.605 -3.254 458 HG12 ILE 60 1HG1 ILE 60 -10.829 -8.851 -4.223 459 HG13 ILE 60 2HG1 ILE 60 -10.728 -8.180 -5.856 460 HG21 ILE 60 1HG2 ILE 60 -12.945 -7.674 -4.188 461 HG22 ILE 60 2HG2 ILE 60 -12.771 -6.572 -5.559 462 HG23 ILE 60 3HG2 ILE 60 -12.991 -5.928 -3.931 463 HD11 ILE 60 3HD1 ILE 60 -8.481 -7.581 -5.606 464 HD12 ILE 60 1HD1 ILE 60 -8.545 -9.066 -4.659 465 HD13 ILE 60 2HD1 ILE 60 -8.575 -7.501 -3.848 466 H ARG 61 H ARG 61 -11.585 -4.764 -7.112 467 HA ARG 61 HA ARG 61 -13.279 -2.792 -5.729 468 HB2 ARG 61 1HB ARG 61 -11.429 -1.503 -6.600 469 HB3 ARG 61 2HB ARG 61 -11.574 -2.261 -8.176 470 HG2 ARG 61 1HG ARG 61 -13.795 -1.247 -8.484 471 HG3 ARG 61 2HG ARG 61 -13.721 -0.562 -6.860 472 HD2 ARG 61 1HD ARG 61 -13.107 1.152 -8.464 473 HD3 ARG 61 2HD ARG 61 -11.676 0.692 -7.545 474 HE ARG 61 HE ARG 61 -10.766 -0.251 -9.477 475 HH11 ARG 61 1HH2 ARG 61 -14.107 0.551 -9.908 476 HH12 ARG 61 2HH2 ARG 61 -14.103 0.245 -11.613 477 HH21 ARG 61 1HH1 ARG 61 -10.757 -0.669 -11.705 478 HH22 ARG 61 2HH1 ARG 61 -12.206 -0.447 -12.631 479 H ASP 62 H ASP 62 -15.282 -3.112 -6.223 480 HA ASP 62 HA ASP 62 -17.198 -3.993 -7.200 481 HB2 ASP 62 1HB ASP 62 -15.654 -3.014 -9.619 482 HB3 ASP 62 2HB ASP 62 -17.329 -3.555 -9.690 483 H ARG 63 H ARG 63 -15.369 -6.037 -6.528 484 HA ARG 63 HA ARG 63 -15.051 -8.229 -6.881 485 HB2 ARG 63 1HB ARG 63 -16.835 -9.311 -7.832 486 HB3 ARG 63 2HB ARG 63 -17.479 -7.714 -8.174 487 HG2 ARG 63 1HG ARG 63 -16.154 -7.848 -10.419 488 HG3 ARG 63 2HG ARG 63 -15.942 -9.553 -10.044 489 HD2 ARG 63 1HD ARG 63 -17.873 -9.283 -11.469 490 HD3 ARG 63 2HD ARG 63 -18.412 -9.764 -9.863 491 HE ARG 63 HE ARG 63 -19.427 -7.686 -9.625 492 HH11 ARG 63 1HH2 ARG 63 -17.178 -7.662 -12.265 493 HH12 ARG 63 2HH2 ARG 63 -17.661 -6.098 -12.838 494 HH21 ARG 63 1HH1 ARG 63 -20.045 -5.638 -10.361 495 HH22 ARG 63 2HH1 ARG 63 -19.283 -4.953 -11.760 496 H LYS 64 H LYS 64 -13.911 -5.860 -8.850 497 HA LYS 64 HA LYS 64 -12.435 -7.706 -10.639 498 HB2 LYS 64 1HB LYS 64 -12.809 -4.709 -10.831 499 HB3 LYS 64 2HB LYS 64 -12.005 -5.735 -12.012 500 HG2 LYS 64 1HG LYS 64 -14.192 -7.002 -12.250 501 HG3 LYS 64 2HG LYS 64 -14.939 -5.750 -11.270 502 HD2 LYS 64 1HD LYS 64 -13.450 -5.217 -13.853 503 HD3 LYS 64 2HD LYS 64 -15.197 -5.365 -13.730 504 HE2 LYS 64 1HE LYS 64 -15.081 -3.473 -11.985 505 HE3 LYS 64 2HE LYS 64 -13.427 -3.217 -12.540 506 HZ1 LYS 64 3HZ LYS 64 -14.296 -2.964 -14.803 507 HZ2 LYS 64 1HZ LYS 64 -14.910 -1.791 -13.745 508 HZ3 LYS 64 2HZ LYS 64 -15.880 -3.107 -14.208 509 H GLN 65 H GLN 65 -10.609 -8.314 -9.601 510 HA GLN 65 HA GLN 65 -9.159 -6.591 -7.866 511 HB2 GLN 65 1HB GLN 65 -7.570 -8.463 -7.760 512 HB3 GLN 65 2HB GLN 65 -9.225 -8.998 -7.500 513 HG2 GLN 65 1HG GLN 65 -8.347 -10.593 -9.019 514 HG3 GLN 65 2HG GLN 65 -9.280 -9.508 -10.041 515 HE21 GLN 65 2HE2 GLN 65 -7.976 -9.849 -11.948 516 HE22 GLN 65 1HE2 GLN 65 -6.368 -9.311 -12.047 517 H HIS 66 H HIS 66 -7.232 -5.621 -8.149 518 HA HIS 66 HA HIS 66 -5.831 -5.744 -10.705 519 HB2 HIS 66 1HB HIS 66 -7.060 -3.168 -9.716 520 HB3 HIS 66 2HB HIS 66 -5.926 -3.302 -11.054 521 HD1 HIS 66 HD1 HIS 66 -6.788 -4.719 -13.167 522 HD2 HIS 66 HD2 HIS 66 -9.677 -3.720 -10.347 523 HE1 HIS 66 HE1 HIS 66 -9.031 -5.077 -14.291 524 HE2 HIS 66 HE2 HIS 66 -10.810 -4.473 -12.582 525 H GLU 67 H GLU 67 -3.738 -5.070 -10.586 526 HA GLU 67 HA GLU 67 -2.570 -4.793 -7.959 527 HB2 GLU 67 1HB GLU 67 -1.368 -5.140 -10.709 528 HB3 GLU 67 2HB GLU 67 -0.412 -4.995 -9.236 529 HG2 GLU 67 1HG GLU 67 -1.470 -6.985 -8.308 530 HG3 GLU 67 2HG GLU 67 -2.523 -7.115 -9.716 531 H ALA 68 H ALA 68 -1.780 -2.972 -7.146 532 HA ALA 68 HA ALA 68 -1.708 -0.513 -8.796 533 HB1 ALA 68 3HB ALA 68 -3.332 -0.317 -7.032 534 HB2 ALA 68 1HB ALA 68 -1.939 0.653 -6.567 535 HB3 ALA 68 2HB ALA 68 -2.199 -0.933 -5.836 536 H GLU 69 H GLU 69 0.168 0.311 -9.177 537 HA GLU 69 HA GLU 69 2.615 -0.649 -7.934 538 HB2 GLU 69 1HB GLU 69 2.135 1.516 -10.007 539 HB3 GLU 69 2HB GLU 69 3.723 0.970 -9.476 540 HG2 GLU 69 1HG GLU 69 3.221 -0.228 -11.496 541 HG3 GLU 69 2HG GLU 69 3.054 -1.375 -10.169 542 H LEU 70 H LEU 70 2.822 0.002 -5.887 543 HA LEU 70 HA LEU 70 2.507 2.882 -5.210 544 HB2 LEU 70 1HB LEU 70 1.098 1.334 -3.950 545 HB3 LEU 70 2HB LEU 70 2.519 0.444 -3.427 546 HG LEU 70 HG LEU 70 2.685 3.371 -2.864 547 HD11 LEU 70 1HD1 LEU 70 1.155 3.247 -0.897 548 HD12 LEU 70 2HD1 LEU 70 0.573 1.689 -1.486 549 HD13 LEU 70 3HD1 LEU 70 0.307 3.148 -2.441 550 HD21 LEU 70 3HD2 LEU 70 2.930 1.004 -0.982 551 HD22 LEU 70 1HD2 LEU 70 3.600 2.624 -0.773 552 HD23 LEU 70 2HD2 LEU 70 4.239 1.556 -2.020 553 H VAL 71 H VAL 71 4.114 3.990 -4.262 554 HA VAL 71 HA VAL 71 6.786 2.695 -4.076 555 HB VAL 71 HB VAL 71 6.254 5.629 -4.642 556 HG11 VAL 71 1HG1 VAL 71 8.569 5.687 -5.292 557 HG12 VAL 71 2HG1 VAL 71 8.701 3.932 -5.221 558 HG13 VAL 71 3HG1 VAL 71 8.511 4.861 -3.735 559 HG21 VAL 71 3HG2 VAL 71 5.259 4.371 -6.459 560 HG22 VAL 71 1HG2 VAL 71 6.676 3.329 -6.573 561 HG23 VAL 71 2HG2 VAL 71 6.795 5.031 -7.020 562 H LEU 72 H LEU 72 7.797 2.788 -2.157 563 HA LEU 72 HA LEU 72 6.503 3.762 0.146 564 HB2 LEU 72 1HB LEU 72 9.271 2.745 -0.491 565 HB3 LEU 72 2HB LEU 72 8.911 3.350 1.118 566 HG LEU 72 HG LEU 72 8.635 0.883 0.925 567 HD11 LEU 72 1HD1 LEU 72 6.850 0.816 2.366 568 HD12 LEU 72 2HD1 LEU 72 5.817 1.813 1.345 569 HD13 LEU 72 3HD1 LEU 72 7.049 2.563 2.353 570 HD21 LEU 72 3HD2 LEU 72 6.256 1.465 -0.843 571 HD22 LEU 72 1HD2 LEU 72 6.979 -0.096 -0.480 572 HD23 LEU 72 2HD2 LEU 72 7.834 1.050 -1.510 573 H LYS 73 H LYS 73 6.530 5.655 1.134 574 HA LYS 73 HA LYS 73 8.661 7.584 0.575 575 HB2 LYS 73 1HB LYS 73 7.099 9.370 0.098 576 HB3 LYS 73 2HB LYS 73 6.894 8.048 -1.051 577 HG2 LYS 73 1HG LYS 73 5.024 7.196 0.508 578 HG3 LYS 73 2HG LYS 73 5.120 8.770 1.300 579 HD2 LYS 73 1HD LYS 73 4.543 8.276 -1.637 580 HD3 LYS 73 2HD LYS 73 3.376 8.803 -0.428 581 HE2 LYS 73 1HE LYS 73 4.960 10.819 -0.041 582 HE3 LYS 73 2HE LYS 73 5.718 10.347 -1.564 583 HZ1 LYS 73 3HZ LYS 73 3.381 10.370 -2.498 584 HZ2 LYS 73 1HZ LYS 73 4.079 11.874 -2.148 585 HZ3 LYS 73 2HZ LYS 73 2.931 11.206 -1.088 586 HA PRO 74 HA PRO 74 8.045 8.102 5.004 587 HB2 PRO 74 1HB PRO 74 9.751 10.170 5.476 588 HB3 PRO 74 2HB PRO 74 10.340 8.548 5.066 589 HG2 PRO 74 1HG PRO 74 10.001 10.940 3.283 590 HG3 PRO 74 2HG PRO 74 11.369 9.812 3.399 591 HD2 PRO 74 1HD PRO 74 9.460 9.590 1.452 592 HD3 PRO 74 2HD PRO 74 10.300 8.175 2.129 593 H PHE 75 H PHE 75 7.506 9.891 6.605 594 HA PHE 75 HA PHE 75 5.556 11.735 5.383 595 HB2 PHE 75 1HB PHE 75 5.631 10.720 8.212 596 HB3 PHE 75 2HB PHE 75 4.364 11.688 7.468 597 HD1 PHE 75 HD1 PHE 75 3.420 10.734 5.165 598 HD2 PHE 75 HD2 PHE 75 5.328 8.362 8.206 599 HE1 PHE 75 HE1 PHE 75 2.343 8.701 4.257 600 HE2 PHE 75 HE2 PHE 75 4.241 6.338 7.301 601 HZ PHE 75 HZ PHE 75 2.748 6.503 5.324 602 HA PRO 76 HA PRO 76 8.136 15.231 6.579 603 HB2 PRO 76 1HB PRO 76 5.520 16.528 7.329 604 HB3 PRO 76 2HB PRO 76 6.828 17.152 6.301 605 HG2 PRO 76 1HG PRO 76 4.533 16.197 5.264 606 HG3 PRO 76 2HG PRO 76 6.093 16.004 4.439 607 HD2 PRO 76 1HD PRO 76 4.462 13.942 5.865 608 HD3 PRO 76 2HD PRO 76 5.639 13.759 4.541 609 H HIS 77 H HIS 77 5.428 14.297 8.700 610 HA HIS 77 HA HIS 77 6.548 15.472 11.074 611 HB2 HIS 77 1HB HIS 77 4.355 13.419 10.662 612 HB3 HIS 77 2HB HIS 77 4.770 14.125 12.226 613 HD1 HIS 77 HD1 HIS 77 4.280 15.679 8.767 614 HD2 HIS 77 HD2 HIS 77 2.946 16.141 12.689 615 HE1 HIS 77 HE1 HIS 77 2.732 17.683 8.765 616 HE2 HIS 77 HE2 HIS 77 1.910 17.978 11.149 617 H HIS 78 H HIS 78 6.515 12.243 9.641 618 HA HIS 78 HA HIS 78 8.472 11.299 11.684 619 HB2 HIS 78 1HB HIS 78 6.561 9.585 10.091 620 HB3 HIS 78 2HB HIS 78 7.560 9.109 11.464 621 HD1 HIS 78 HD1 HIS 78 4.237 10.319 10.652 622 HD2 HIS 78 HD2 HIS 78 6.783 10.635 13.939 623 HE1 HIS 78 HE1 HIS 78 2.794 11.022 12.611 624 HE2 HIS 78 HE2 HIS 78 4.332 11.219 14.624 625 HA PRO 79 HA PRO 79 10.382 11.403 7.380 626 HB2 PRO 79 1HB PRO 79 12.842 12.414 8.220 627 HB3 PRO 79 2HB PRO 79 11.486 13.418 7.664 628 HG2 PRO 79 1HG PRO 79 12.333 12.765 10.461 629 HG3 PRO 79 2HG PRO 79 11.751 14.302 9.792 630 HD2 PRO 79 1HD PRO 79 10.144 12.688 11.257 631 HD3 PRO 79 2HD PRO 79 9.498 13.651 9.917 632 H ASN 80 H ASN 80 11.499 10.261 10.519 633 HA ASN 80 HA ASN 80 13.399 8.369 9.383 634 HB2 ASN 80 1HB ASN 80 12.431 8.953 12.192 635 HB3 ASN 80 2HB ASN 80 13.621 7.704 11.811 636 HD21 ASN 80 2HD2 ASN 80 14.219 10.018 13.456 637 HD22 ASN 80 1HD2 ASN 80 15.374 10.947 12.627 638 H GLN 81 H GLN 81 10.447 8.231 8.775 639 HA GLN 81 HA GLN 81 10.109 5.374 9.398 640 HB2 GLN 81 1HB GLN 81 8.877 6.701 11.147 641 HB3 GLN 81 2HB GLN 81 7.899 7.393 9.853 642 HG2 GLN 81 1HG GLN 81 7.136 5.155 9.200 643 HG3 GLN 81 2HG GLN 81 8.153 4.432 10.445 644 HE21 GLN 81 2HE2 GLN 81 5.346 4.013 10.486 645 HE22 GLN 81 1HE2 GLN 81 4.692 4.835 11.821 646 H ILE 82 H ILE 82 8.830 4.278 7.914 647 HA ILE 82 HA ILE 82 8.079 5.774 5.458 648 HB ILE 82 HB ILE 82 8.848 2.910 5.109 649 HG12 ILE 82 1HG1 ILE 82 10.560 3.608 6.789 650 HG13 ILE 82 2HG1 ILE 82 11.257 3.280 5.211 651 HG21 ILE 82 1HG2 ILE 82 9.619 5.481 3.675 652 HG22 ILE 82 2HG2 ILE 82 8.353 4.355 3.201 653 HG23 ILE 82 3HG2 ILE 82 10.041 3.851 3.149 654 HD11 ILE 82 3HD1 ILE 82 11.638 5.594 6.717 655 HD12 ILE 82 1HD1 ILE 82 10.500 6.105 5.464 656 HD13 ILE 82 2HD1 ILE 82 12.050 5.377 5.020 657 H GLY 83 H GLY 83 6.132 5.305 4.543 658 HA2 GLY 83 1HA GLY 83 4.621 2.952 5.370 659 HA3 GLY 83 2HA GLY 83 3.943 4.502 5.841 660 H LEU 84 H LEU 84 2.264 3.272 4.329 661 HA LEU 84 HA LEU 84 2.719 3.322 1.521 662 HB2 LEU 84 1HB LEU 84 0.177 3.292 3.174 663 HB3 LEU 84 2HB LEU 84 0.204 3.115 1.422 664 HG LEU 84 HG LEU 84 1.731 1.142 1.699 665 HD11 LEU 84 1HD1 LEU 84 1.528 0.096 4.122 666 HD12 LEU 84 2HD1 LEU 84 1.279 1.766 4.623 667 HD13 LEU 84 3HD1 LEU 84 2.767 1.302 3.801 668 HD21 LEU 84 3HD2 LEU 84 -0.066 -0.393 2.451 669 HD22 LEU 84 1HD2 LEU 84 -0.692 0.855 1.371 670 HD23 LEU 84 2HD2 LEU 84 -0.952 0.981 3.111 671 H GLY 85 H GLY 85 -0.063 5.130 2.768 672 HA2 GLY 85 1HA GLY 85 0.909 7.744 2.457 673 HA3 GLY 85 2HA GLY 85 0.237 7.203 0.921 674 H VAL 86 H VAL 86 -1.530 5.426 2.882 675 HA VAL 86 HA VAL 86 -3.683 7.461 3.206 676 HB VAL 86 HB VAL 86 -5.251 5.642 2.993 677 HG11 VAL 86 1HG1 VAL 86 -4.388 6.645 0.921 678 HG12 VAL 86 2HG1 VAL 86 -4.696 4.928 0.673 679 HG13 VAL 86 3HG1 VAL 86 -3.051 5.500 0.904 680 HG21 VAL 86 3HG2 VAL 86 -4.084 3.838 4.118 681 HG22 VAL 86 1HG2 VAL 86 -2.773 3.887 2.941 682 HG23 VAL 86 2HG2 VAL 86 -4.374 3.325 2.457 683 H THR 87 H THR 87 -5.282 6.831 5.037 684 HA THR 87 HA THR 87 -3.712 6.598 7.478 685 HB THR 87 HB THR 87 -6.662 7.114 7.061 686 HG1 THR 87 HG1 THR 87 -6.150 9.164 6.882 687 HG21 THR 87 3HG2 THR 87 -6.453 8.111 9.352 688 HG22 THR 87 1HG2 THR 87 -4.812 7.472 9.433 689 HG23 THR 87 2HG2 THR 87 -6.182 6.368 9.323 Start of MODEL 9 1 H1 MET 1 1H MET 1 -20.197 -17.647 1.084 2 H2 MET 1 2H MET 1 -20.126 -18.712 -0.239 3 H3 MET 1 3H MET 1 -20.174 -17.033 -0.496 4 HA MET 1 HA MET 1 -17.959 -18.514 0.818 5 HB2 MET 1 1HB MET 1 -18.246 -17.235 -1.917 6 HB3 MET 1 2HB MET 1 -16.708 -17.768 -1.241 7 HG2 MET 1 1HG MET 1 -17.602 -20.065 -1.025 8 HG3 MET 1 2HG MET 1 -19.127 -19.535 -1.729 9 HE1 MET 1 3HE MET 1 -18.935 -17.938 -4.082 10 HE2 MET 1 1HE MET 1 -19.671 -19.546 -4.075 11 HE3 MET 1 2HE MET 1 -18.577 -19.078 -5.375 12 H ASN 2 H ASN 2 -17.771 -17.103 2.563 13 HA ASN 2 HA ASN 2 -16.684 -14.450 1.948 14 HB2 ASN 2 1HB ASN 2 -19.132 -14.869 3.681 15 HB3 ASN 2 2HB ASN 2 -18.225 -13.361 3.567 16 HD21 ASN 2 2HD2 ASN 2 -20.968 -14.787 2.378 17 HD22 ASN 2 1HD2 ASN 2 -21.055 -14.019 0.866 18 H GLU 3 H GLU 3 -14.759 -15.412 2.769 19 HA GLU 3 HA GLU 3 -14.698 -16.065 5.660 20 HB2 GLU 3 1HB GLU 3 -12.697 -16.515 3.425 21 HB3 GLU 3 2HB GLU 3 -12.386 -16.894 5.120 22 HG2 GLU 3 1HG GLU 3 -14.270 -18.437 5.162 23 HG3 GLU 3 2HG GLU 3 -14.695 -18.009 3.508 24 H ALA 4 H ALA 4 -12.801 -15.230 6.882 25 HA ALA 4 HA ALA 4 -12.633 -12.713 7.484 26 HB1 ALA 4 3HB ALA 4 -10.177 -14.399 6.956 27 HB2 ALA 4 1HB ALA 4 -11.109 -14.334 8.452 28 HB3 ALA 4 2HB ALA 4 -10.194 -12.922 7.921 29 H LYS 5 H LYS 5 -12.390 -10.785 6.593 30 HA LYS 5 HA LYS 5 -11.554 -10.552 3.801 31 HB2 LYS 5 1HB LYS 5 -12.613 -8.510 5.760 32 HB3 LYS 5 2HB LYS 5 -12.244 -8.173 4.071 33 HG2 LYS 5 1HG LYS 5 -13.847 -10.027 3.434 34 HG3 LYS 5 2HG LYS 5 -14.321 -10.114 5.128 35 HD2 LYS 5 1HD LYS 5 -14.466 -7.574 3.474 36 HD3 LYS 5 2HD LYS 5 -15.823 -8.672 3.683 37 HE2 LYS 5 1HE LYS 5 -15.512 -8.365 6.209 38 HE3 LYS 5 2HE LYS 5 -14.422 -7.037 5.813 39 HZ1 LYS 5 3HZ LYS 5 -16.307 -6.176 4.393 40 HZ2 LYS 5 1HZ LYS 5 -16.494 -6.053 6.075 41 HZ3 LYS 5 2HZ LYS 5 -17.301 -7.278 5.220 42 H GLY 6 H GLY 6 -10.476 -7.997 3.756 43 HA2 GLY 6 1HA GLY 6 -7.809 -8.428 5.002 44 HA3 GLY 6 2HA GLY 6 -8.092 -7.591 3.481 45 H VAL 7 H VAL 7 -7.779 -5.476 3.657 46 HA VAL 7 HA VAL 7 -8.592 -4.069 6.147 47 HB VAL 7 HB VAL 7 -6.338 -3.234 4.298 48 HG11 VAL 7 1HG1 VAL 7 -7.187 -2.455 7.109 49 HG12 VAL 7 2HG1 VAL 7 -7.123 -1.421 5.683 50 HG13 VAL 7 3HG1 VAL 7 -5.632 -2.008 6.410 51 HG21 VAL 7 3HG2 VAL 7 -4.834 -4.219 6.050 52 HG22 VAL 7 1HG2 VAL 7 -5.769 -5.434 5.176 53 HG23 VAL 7 2HG2 VAL 7 -6.254 -4.950 6.800 54 H TYR 8 H TYR 8 -9.078 -1.743 5.797 55 HA TYR 8 HA TYR 8 -10.406 -1.262 3.177 56 HB2 TYR 8 1HB TYR 8 -11.285 -0.684 6.014 57 HB3 TYR 8 2HB TYR 8 -12.011 0.137 4.631 58 HD1 TYR 8 HD1 TYR 8 -11.506 -3.157 6.282 59 HD2 TYR 8 HD2 TYR 8 -13.469 -1.033 3.103 60 HE1 TYR 8 HE1 TYR 8 -12.966 -5.121 5.867 61 HE2 TYR 8 HE2 TYR 8 -14.925 -2.991 2.693 62 HH TYR 8 HH TYR 8 -14.994 -5.339 3.073 63 H VAL 9 H VAL 9 -9.685 0.443 2.112 64 HA VAL 9 HA VAL 9 -7.770 2.269 3.249 65 HB VAL 9 HB VAL 9 -9.196 2.198 0.571 66 HG11 VAL 9 1HG1 VAL 9 -8.501 4.466 0.901 67 HG12 VAL 9 2HG1 VAL 9 -7.254 3.728 -0.103 68 HG13 VAL 9 3HG1 VAL 9 -6.975 3.968 1.626 69 HG21 VAL 9 3HG2 VAL 9 -6.366 1.448 1.362 70 HG22 VAL 9 1HG2 VAL 9 -7.080 1.287 -0.244 71 HG23 VAL 9 2HG2 VAL 9 -7.670 0.291 1.089 72 H MET 10 H MET 10 -8.238 4.119 4.331 73 HA MET 10 HA MET 10 -10.926 4.951 4.729 74 HB2 MET 10 1HB MET 10 -8.392 6.490 5.325 75 HB3 MET 10 2HB MET 10 -9.970 6.699 6.086 76 HG2 MET 10 1HG MET 10 -8.282 4.177 6.236 77 HG3 MET 10 2HG MET 10 -8.432 5.376 7.516 78 HE1 MET 10 3HE MET 10 -8.796 2.624 8.186 79 HE2 MET 10 1HE MET 10 -10.387 2.359 8.910 80 HE3 MET 10 2HE MET 10 -9.413 3.743 9.399 81 H SER 11 H SER 11 -8.220 6.870 3.363 82 HA SER 11 HA SER 11 -10.099 7.999 1.360 83 HB2 SER 11 1HB SER 11 -10.064 9.577 3.214 84 HB3 SER 11 2HB SER 11 -8.304 9.603 3.189 85 HG SER 11 HG SER 11 -9.478 11.326 2.011 86 H VAL 12 H VAL 12 -8.846 9.447 -0.181 87 HA VAL 12 HA VAL 12 -6.195 8.279 -0.857 88 HB VAL 12 HB VAL 12 -7.799 7.365 -2.426 89 HG11 VAL 12 1HG1 VAL 12 -8.688 10.205 -3.010 90 HG12 VAL 12 2HG1 VAL 12 -9.587 9.074 -1.998 91 HG13 VAL 12 3HG1 VAL 12 -9.346 8.725 -3.707 92 HG21 VAL 12 3HG2 VAL 12 -6.522 9.714 -3.863 93 HG22 VAL 12 1HG2 VAL 12 -6.842 8.099 -4.499 94 HG23 VAL 12 2HG2 VAL 12 -5.582 8.338 -3.290 95 H LEU 13 H LEU 13 -4.639 9.752 -1.241 96 HA LEU 13 HA LEU 13 -5.427 12.595 -1.269 97 HB2 LEU 13 1HB LEU 13 -2.807 11.455 -0.383 98 HB3 LEU 13 2HB LEU 13 -3.370 13.099 -0.210 99 HG LEU 13 HG LEU 13 -4.620 10.663 1.079 100 HD11 LEU 13 1HD1 LEU 13 -3.100 12.985 2.286 101 HD12 LEU 13 2HD1 LEU 13 -2.454 11.362 2.041 102 HD13 LEU 13 3HD1 LEU 13 -3.790 11.620 3.164 103 HD21 LEU 13 3HD2 LEU 13 -6.437 12.173 0.760 104 HD22 LEU 13 1HD2 LEU 13 -5.425 13.594 1.030 105 HD23 LEU 13 2HD2 LEU 13 -5.882 12.558 2.382 106 HA PRO 14 HA PRO 14 -4.065 12.446 -5.603 107 HB2 PRO 14 1HB PRO 14 -3.886 15.405 -5.015 108 HB3 PRO 14 2HB PRO 14 -4.575 14.590 -6.435 109 HG2 PRO 14 1HG PRO 14 -6.149 15.587 -4.521 110 HG3 PRO 14 2HG PRO 14 -6.549 14.057 -5.329 111 HD2 PRO 14 1HD PRO 14 -5.498 14.506 -2.567 112 HD3 PRO 14 2HD PRO 14 -6.518 13.182 -3.191 113 H ASN 15 H ASN 15 -2.122 13.096 -6.770 114 HA ASN 15 HA ASN 15 0.128 13.394 -7.054 115 HB2 ASN 15 1HB ASN 15 0.263 14.616 -4.284 116 HB3 ASN 15 2HB ASN 15 1.309 14.920 -5.666 117 HD21 ASN 15 2HD2 ASN 15 0.070 15.844 -7.667 118 HD22 ASN 15 1HD2 ASN 15 -1.137 16.991 -7.332 119 H MET 16 H MET 16 -1.167 11.115 -5.428 120 HA MET 16 HA MET 16 1.279 10.176 -4.066 121 HB2 MET 16 1HB MET 16 -1.637 9.651 -3.590 122 HB3 MET 16 2HB MET 16 -0.463 8.491 -3.029 123 HG2 MET 16 1HG MET 16 -0.292 11.437 -2.348 124 HG3 MET 16 2HG MET 16 -1.090 10.245 -1.326 125 HE1 MET 16 3HE MET 16 0.334 10.871 0.635 126 HE2 MET 16 1HE MET 16 1.273 12.061 -0.274 127 HE3 MET 16 2HE MET 16 2.094 10.846 0.703 128 HA PRO 17 HA PRO 17 2.019 6.926 -6.902 129 HB2 PRO 17 1HB PRO 17 1.878 4.929 -4.664 130 HB3 PRO 17 2HB PRO 17 3.183 5.225 -5.828 131 HG2 PRO 17 1HG PRO 17 3.408 6.041 -3.302 132 HG3 PRO 17 2HG PRO 17 4.004 7.049 -4.638 133 HD2 PRO 17 1HD PRO 17 1.489 7.357 -3.031 134 HD3 PRO 17 2HD PRO 17 2.596 8.588 -3.642 135 H ALA 18 H ALA 18 -0.536 6.107 -4.498 136 HA ALA 18 HA ALA 18 -1.791 4.198 -6.280 137 HB1 ALA 18 3HB ALA 18 -1.586 4.356 -3.589 138 HB2 ALA 18 1HB ALA 18 -2.898 3.485 -4.383 139 HB3 ALA 18 2HB ALA 18 -3.156 5.128 -3.785 140 H ALA 19 H ALA 19 -1.920 7.525 -5.836 141 HA ALA 19 HA ALA 19 -4.682 8.021 -6.323 142 HB1 ALA 19 3HB ALA 19 -3.255 9.771 -5.397 143 HB2 ALA 19 1HB ALA 19 -3.975 10.314 -6.912 144 HB3 ALA 19 2HB ALA 19 -2.291 9.793 -6.874 145 H GLY 20 H GLY 20 -5.828 7.997 -8.126 146 HA2 GLY 20 1HA GLY 20 -6.258 8.328 -10.447 147 HA3 GLY 20 2HA GLY 20 -4.540 8.138 -10.784 148 H ARG 21 H ARG 21 -4.821 5.746 -8.774 149 HA ARG 21 HA ARG 21 -5.959 3.760 -10.675 150 HB2 ARG 21 1HB ARG 21 -4.086 2.252 -9.966 151 HB3 ARG 21 2HB ARG 21 -3.581 3.645 -10.916 152 HG2 ARG 21 1HG ARG 21 -3.061 4.815 -8.716 153 HG3 ARG 21 2HG ARG 21 -3.325 3.261 -7.921 154 HD2 ARG 21 1HD ARG 21 -1.212 3.968 -9.980 155 HD3 ARG 21 2HD ARG 21 -0.972 3.415 -8.335 156 HE ARG 21 HE ARG 21 -1.575 1.224 -8.972 157 HH11 ARG 21 1HH2 ARG 21 -1.672 3.458 -11.629 158 HH12 ARG 21 2HH2 ARG 21 -1.635 2.222 -12.839 159 HH21 ARG 21 1HH1 ARG 21 -1.528 -0.394 -10.575 160 HH22 ARG 21 2HH1 ARG 21 -1.557 0.054 -12.248 161 H LEU 22 H LEU 22 -5.491 4.857 -7.487 162 HA LEU 22 HA LEU 22 -7.199 2.669 -6.439 163 HB2 LEU 22 1HB LEU 22 -4.784 2.623 -5.626 164 HB3 LEU 22 2HB LEU 22 -5.133 4.141 -4.800 165 HG LEU 22 HG LEU 22 -6.998 3.033 -3.583 166 HD11 LEU 22 1HD1 LEU 22 -7.803 1.181 -4.739 167 HD12 LEU 22 2HD1 LEU 22 -6.688 0.336 -3.677 168 HD13 LEU 22 3HD1 LEU 22 -6.211 0.712 -5.334 169 HD21 LEU 22 3HD2 LEU 22 -4.702 3.178 -2.653 170 HD22 LEU 22 1HD2 LEU 22 -4.346 1.595 -3.349 171 HD23 LEU 22 2HD2 LEU 22 -5.563 1.749 -2.079 172 H GLU 23 H GLU 23 -8.785 3.189 -4.912 173 HA GLU 23 HA GLU 23 -9.216 6.050 -4.319 174 HB2 GLU 23 1HB GLU 23 -11.049 4.267 -5.925 175 HB3 GLU 23 2HB GLU 23 -11.689 5.633 -5.020 176 HG2 GLU 23 1HG GLU 23 -9.452 5.870 -7.060 177 HG3 GLU 23 2HG GLU 23 -11.146 6.125 -7.449 178 H ALA 24 H ALA 24 -10.748 6.423 -2.727 179 HA ALA 24 HA ALA 24 -10.567 4.777 -0.477 180 HB1 ALA 24 3HB ALA 24 -12.856 6.715 -0.917 181 HB2 ALA 24 1HB ALA 24 -11.219 7.267 -0.579 182 HB3 ALA 24 2HB ALA 24 -12.073 6.274 0.601 183 H GLY 25 H GLY 25 -11.807 3.094 0.279 184 HA2 GLY 25 1HA GLY 25 -13.924 1.930 0.452 185 HA3 GLY 25 2HA GLY 25 -14.243 2.318 -1.236 186 H ASP 26 H ASP 26 -11.388 1.780 -1.952 187 HA ASP 26 HA ASP 26 -11.685 -1.017 -2.574 188 HB2 ASP 26 1HB ASP 26 -9.169 0.654 -2.790 189 HB3 ASP 26 2HB ASP 26 -9.556 -0.802 -3.679 190 H ARG 27 H ARG 27 -10.546 -2.795 -1.761 191 HA ARG 27 HA ARG 27 -9.182 -2.407 0.856 192 HB2 ARG 27 1HB ARG 27 -9.906 -4.734 1.347 193 HB3 ARG 27 2HB ARG 27 -11.255 -3.622 1.142 194 HG2 ARG 27 1HG ARG 27 -11.739 -4.466 -1.051 195 HG3 ARG 27 2HG ARG 27 -10.221 -5.360 -1.122 196 HD2 ARG 27 1HD ARG 27 -12.399 -5.907 0.912 197 HD3 ARG 27 2HD ARG 27 -12.210 -6.807 -0.584 198 HE ARG 27 HE ARG 27 -9.755 -6.793 0.811 199 HH11 ARG 27 1HH2 ARG 27 -12.971 -8.080 0.929 200 HH12 ARG 27 2HH2 ARG 27 -12.511 -9.517 1.781 201 HH21 ARG 27 1HH1 ARG 27 -9.146 -8.675 1.917 202 HH22 ARG 27 2HH1 ARG 27 -10.347 -9.854 2.340 203 H ILE 28 H ILE 28 -7.522 -4.009 1.355 204 HA ILE 28 HA ILE 28 -5.907 -4.641 -1.043 205 HB ILE 28 HB ILE 28 -4.999 -4.731 1.847 206 HG12 ILE 28 1HG1 ILE 28 -5.839 -2.492 1.481 207 HG13 ILE 28 2HG1 ILE 28 -4.083 -2.433 1.410 208 HG21 ILE 28 1HG2 ILE 28 -3.551 -5.860 0.215 209 HG22 ILE 28 2HG2 ILE 28 -2.776 -4.388 0.802 210 HG23 ILE 28 3HG2 ILE 28 -3.536 -4.412 -0.792 211 HD11 ILE 28 3HD1 ILE 28 -6.067 -2.237 -0.857 212 HD12 ILE 28 1HD1 ILE 28 -4.394 -2.695 -1.172 213 HD13 ILE 28 2HD1 ILE 28 -4.758 -1.133 -0.445 214 H ALA 29 H ALA 29 -5.948 -6.630 -1.772 215 HA ALA 29 HA ALA 29 -6.856 -8.851 -0.051 216 HB1 ALA 29 3HB ALA 29 -7.943 -8.787 -2.168 217 HB2 ALA 29 1HB ALA 29 -6.779 -10.109 -2.275 218 HB3 ALA 29 2HB ALA 29 -6.422 -8.553 -3.029 219 H ALA 30 H ALA 30 -3.981 -7.512 -1.349 220 HA ALA 30 HA ALA 30 -2.283 -9.256 0.073 221 HB1 ALA 30 3HB ALA 30 -2.789 -11.019 -1.437 222 HB2 ALA 30 1HB ALA 30 -1.216 -10.407 -1.948 223 HB3 ALA 30 2HB ALA 30 -2.677 -9.951 -2.832 224 H ILE 31 H ILE 31 -0.025 -9.004 -0.469 225 HA ILE 31 HA ILE 31 0.670 -6.616 -2.061 226 HB ILE 31 HB ILE 31 1.487 -6.928 0.845 227 HG12 ILE 31 1HG1 ILE 31 -0.121 -4.801 -0.598 228 HG13 ILE 31 2HG1 ILE 31 -0.805 -6.031 0.455 229 HG21 ILE 31 1HG2 ILE 31 2.673 -4.739 0.434 230 HG22 ILE 31 2HG2 ILE 31 2.313 -4.917 -1.280 231 HG23 ILE 31 3HG2 ILE 31 3.363 -6.071 -0.476 232 HD11 ILE 31 3HD1 ILE 31 1.036 -3.765 1.215 233 HD12 ILE 31 1HD1 ILE 31 0.745 -5.139 2.271 234 HD13 ILE 31 2HD1 ILE 31 -0.590 -4.088 1.814 235 H ASP 32 H ASP 32 2.271 -7.093 -3.364 236 HA ASP 32 HA ASP 32 3.985 -8.256 -4.353 237 HB2 ASP 32 1HB ASP 32 4.886 -7.869 -1.498 238 HB3 ASP 32 2HB ASP 32 5.929 -8.699 -2.650 239 H GLY 33 H GLY 33 1.726 -9.835 -3.164 240 HA2 GLY 33 1HA GLY 33 1.331 -12.135 -3.598 241 HA3 GLY 33 2HA GLY 33 3.036 -12.472 -3.343 242 H GLN 34 H GLN 34 2.348 -10.469 -0.891 243 HA GLN 34 HA GLN 34 1.994 -12.660 1.012 244 HB2 GLN 34 1HB GLN 34 2.532 -9.751 1.573 245 HB3 GLN 34 2HB GLN 34 2.656 -11.095 2.708 246 HG2 GLN 34 1HG GLN 34 4.301 -10.789 0.177 247 HG3 GLN 34 2HG GLN 34 4.878 -10.464 1.809 248 HE21 GLN 34 2HE2 GLN 34 5.722 -12.595 -0.225 249 HE22 GLN 34 1HE2 GLN 34 5.591 -14.061 0.620 250 HA PRO 35 HA PRO 35 -2.451 -11.460 1.077 251 HB2 PRO 35 1HB PRO 35 -2.539 -13.658 3.123 252 HB3 PRO 35 2HB PRO 35 -3.553 -13.430 1.683 253 HG2 PRO 35 1HG PRO 35 -1.661 -15.308 1.744 254 HG3 PRO 35 2HG PRO 35 -1.970 -14.373 0.264 255 HD2 PRO 35 1HD PRO 35 0.259 -14.045 2.268 256 HD3 PRO 35 2HD PRO 35 0.291 -13.946 0.500 257 H ILE 36 H ILE 36 -3.393 -9.999 2.381 258 HA ILE 36 HA ILE 36 -2.152 -9.380 5.001 259 HB ILE 36 HB ILE 36 -4.056 -7.684 3.394 260 HG12 ILE 36 1HG1 ILE 36 -2.087 -8.060 2.056 261 HG13 ILE 36 2HG1 ILE 36 -2.004 -6.442 2.709 262 HG21 ILE 36 1HG2 ILE 36 -2.173 -7.076 5.701 263 HG22 ILE 36 2HG2 ILE 36 -3.936 -7.059 5.758 264 HG23 ILE 36 3HG2 ILE 36 -3.078 -5.860 4.794 265 HD11 ILE 36 3HD1 ILE 36 -0.400 -8.879 3.473 266 HD12 ILE 36 1HD1 ILE 36 -0.580 -7.553 4.627 267 HD13 ILE 36 2HD1 ILE 36 0.177 -7.273 3.061 268 H ASN 37 H ASN 37 -3.055 -10.221 6.625 269 HA ASN 37 HA ASN 37 -6.022 -10.419 6.870 270 HB2 ASN 37 1HB ASN 37 -5.676 -12.231 8.459 271 HB3 ASN 37 2HB ASN 37 -4.896 -12.603 6.925 272 HD21 ASN 37 2HD2 ASN 37 -3.785 -14.102 8.757 273 HD22 ASN 37 1HD2 ASN 37 -2.342 -13.466 9.389 274 H THR 38 H THR 38 -3.173 -9.054 8.242 275 HA THR 38 HA THR 38 -4.795 -7.817 10.406 276 HB THR 38 HB THR 38 -2.834 -7.989 11.909 277 HG1 THR 38 HG1 THR 38 -1.721 -8.833 9.625 278 HG21 THR 38 3HG2 THR 38 -4.527 -9.652 12.217 279 HG22 THR 38 1HG2 THR 38 -2.971 -10.478 12.268 280 HG23 THR 38 2HG2 THR 38 -3.967 -10.567 10.818 281 H SER 39 H SER 39 -3.898 -5.840 11.235 282 HA SER 39 HA SER 39 -2.866 -4.142 9.138 283 HB2 SER 39 1HB SER 39 -3.056 -2.364 10.835 284 HB3 SER 39 2HB SER 39 -4.542 -3.303 10.715 285 HG SER 39 HG SER 39 -4.004 -4.366 12.576 286 H GLU 40 H GLU 40 -1.614 -5.839 11.917 287 HA GLU 40 HA GLU 40 0.798 -4.372 12.239 288 HB2 GLU 40 1HB GLU 40 1.471 -6.140 13.699 289 HB3 GLU 40 2HB GLU 40 -0.270 -5.967 13.906 290 HG2 GLU 40 1HG GLU 40 -0.519 -7.826 12.170 291 HG3 GLU 40 2HG GLU 40 1.202 -8.104 12.335 292 H GLN 41 H GLN 41 -0.193 -6.986 10.099 293 HA GLN 41 HA GLN 41 2.411 -7.854 9.380 294 HB2 GLN 41 1HB GLN 41 -0.346 -8.099 8.200 295 HB3 GLN 41 2HB GLN 41 1.035 -8.565 7.207 296 HG2 GLN 41 1HG GLN 41 1.769 -10.152 8.904 297 HG3 GLN 41 2HG GLN 41 0.493 -9.635 9.995 298 HE21 GLN 41 2HE2 GLN 41 -0.874 -9.507 6.963 299 HE22 GLN 41 1HE2 GLN 41 -1.538 -11.067 6.888 300 H ILE 42 H ILE 42 0.453 -5.100 8.454 301 HA ILE 42 HA ILE 42 1.988 -4.490 6.108 302 HB ILE 42 HB ILE 42 -0.015 -2.898 7.727 303 HG12 ILE 42 1HG1 ILE 42 -0.731 -5.031 6.385 304 HG13 ILE 42 2HG1 ILE 42 -1.652 -3.552 6.143 305 HG21 ILE 42 1HG2 ILE 42 -0.078 -1.482 5.551 306 HG22 ILE 42 2HG2 ILE 42 1.472 -2.231 5.170 307 HG23 ILE 42 3HG2 ILE 42 1.302 -1.250 6.628 308 HD11 ILE 42 3HD1 ILE 42 -0.759 -3.175 4.022 309 HD12 ILE 42 1HD1 ILE 42 -0.853 -4.930 4.059 310 HD13 ILE 42 2HD1 ILE 42 0.681 -4.128 4.332 311 H VAL 43 H VAL 43 2.188 -3.843 9.486 312 HA VAL 43 HA VAL 43 3.868 -1.507 9.319 313 HB VAL 43 HB VAL 43 3.441 -3.502 11.568 314 HG11 VAL 43 1HG1 VAL 43 4.727 -0.757 11.508 315 HG12 VAL 43 2HG1 VAL 43 5.492 -2.277 11.965 316 HG13 VAL 43 3HG1 VAL 43 4.246 -1.577 12.992 317 HG21 VAL 43 3HG2 VAL 43 1.377 -2.350 10.847 318 HG22 VAL 43 1HG2 VAL 43 2.187 -0.793 11.015 319 HG23 VAL 43 2HG2 VAL 43 1.885 -1.788 12.438 320 H SER 44 H SER 44 4.425 -4.998 9.693 321 HA SER 44 HA SER 44 7.270 -4.767 9.962 322 HB2 SER 44 1HB SER 44 5.641 -7.147 9.038 323 HB3 SER 44 2HB SER 44 7.300 -7.178 9.631 324 HG SER 44 HG SER 44 4.967 -7.142 11.005 325 H TYR 45 H TYR 45 5.043 -5.306 7.303 326 HA TYR 45 HA TYR 45 6.880 -5.907 5.269 327 HB2 TYR 45 1HB TYR 45 4.449 -6.176 5.042 328 HB3 TYR 45 2HB TYR 45 4.249 -4.426 5.037 329 HD1 TYR 45 HD1 TYR 45 5.845 -7.269 3.227 330 HD2 TYR 45 HD2 TYR 45 4.551 -3.176 3.015 331 HE1 TYR 45 HE1 TYR 45 6.243 -7.265 0.777 332 HE2 TYR 45 HE2 TYR 45 4.950 -3.179 0.575 333 HH TYR 45 HH TYR 45 6.212 -6.070 -1.079 334 H VAL 46 H VAL 46 5.429 -2.705 5.981 335 HA VAL 46 HA VAL 46 6.921 -1.210 4.171 336 HB VAL 46 HB VAL 46 6.454 0.713 5.712 337 HG11 VAL 46 1HG1 VAL 46 4.012 0.570 5.494 338 HG12 VAL 46 2HG1 VAL 46 4.147 -1.164 5.197 339 HG13 VAL 46 3HG1 VAL 46 4.821 -0.019 4.042 340 HG21 VAL 46 3HG2 VAL 46 5.339 -1.462 7.440 341 HG22 VAL 46 1HG2 VAL 46 5.034 0.246 7.693 342 HG23 VAL 46 2HG2 VAL 46 6.667 -0.397 7.842 343 H ARG 47 H ARG 47 7.756 -2.298 7.423 344 HA ARG 47 HA ARG 47 10.151 -0.796 7.684 345 HB2 ARG 47 1HB ARG 47 9.106 -3.296 9.003 346 HB3 ARG 47 2HB ARG 47 10.702 -2.672 9.398 347 HG2 ARG 47 1HG ARG 47 8.289 -0.845 9.515 348 HG3 ARG 47 2HG ARG 47 8.630 -1.929 10.854 349 HD2 ARG 47 1HD ARG 47 10.928 -0.932 11.017 350 HD3 ARG 47 2HD ARG 47 10.471 0.232 9.770 351 HE ARG 47 HE ARG 47 8.555 0.210 11.866 352 HH11 ARG 47 1HH2 ARG 47 11.772 1.266 11.073 353 HH12 ARG 47 2HH2 ARG 47 11.731 2.606 12.171 354 HH21 ARG 47 1HH1 ARG 47 8.506 1.938 13.272 355 HH22 ARG 47 2HH1 ARG 47 9.876 2.986 13.420 356 H GLU 48 H GLU 48 9.448 -3.960 6.265 357 HA GLU 48 HA GLU 48 12.079 -4.887 5.994 358 HB2 GLU 48 1HB GLU 48 10.026 -6.247 5.538 359 HB3 GLU 48 2HB GLU 48 9.794 -5.331 4.050 360 HG2 GLU 48 1HG GLU 48 11.984 -6.096 3.217 361 HG3 GLU 48 2HG GLU 48 12.258 -6.974 4.719 362 H LYS 49 H LYS 49 10.108 -2.846 3.888 363 HA LYS 49 HA LYS 49 12.336 -2.418 2.020 364 HB2 LYS 49 1HB LYS 49 9.630 -1.107 1.752 365 HB3 LYS 49 2HB LYS 49 10.724 -1.647 0.503 366 HG2 LYS 49 1HG LYS 49 9.205 -3.522 2.346 367 HG3 LYS 49 2HG LYS 49 8.680 -3.071 0.747 368 HD2 LYS 49 1HD LYS 49 11.348 -4.383 1.297 369 HD3 LYS 49 2HD LYS 49 9.899 -5.269 0.858 370 HE2 LYS 49 1HE LYS 49 9.826 -3.675 -1.213 371 HE3 LYS 49 2HE LYS 49 11.522 -3.378 -0.832 372 HZ1 LYS 49 3HZ LYS 49 11.948 -5.718 -0.953 373 HZ2 LYS 49 1HZ LYS 49 11.224 -5.191 -2.393 374 HZ3 LYS 49 2HZ LYS 49 10.306 -6.042 -1.247 375 H GLN 50 H GLN 50 13.157 -0.400 1.527 376 HA GLN 50 HA GLN 50 12.988 1.564 3.714 377 HB2 GLN 50 1HB GLN 50 15.114 2.444 2.731 378 HB3 GLN 50 2HB GLN 50 15.228 0.785 3.304 379 HG2 GLN 50 1HG GLN 50 14.609 1.429 0.403 380 HG3 GLN 50 2HG GLN 50 16.260 1.285 0.992 381 HE21 GLN 50 2HE2 GLN 50 16.684 -0.883 2.247 382 HE22 GLN 50 1HE2 GLN 50 15.958 -2.273 1.596 383 H ALA 51 H ALA 51 13.590 3.858 2.837 384 HA ALA 51 HA ALA 51 11.341 4.766 1.362 385 HB1 ALA 51 3HB ALA 51 12.480 6.180 3.020 386 HB2 ALA 51 1HB ALA 51 12.455 6.969 1.443 387 HB3 ALA 51 2HB ALA 51 13.931 6.195 2.020 388 H GLY 52 H GLY 52 11.104 5.303 -0.784 389 HA2 GLY 52 1HA GLY 52 11.757 5.777 -2.982 390 HA3 GLY 52 2HA GLY 52 13.413 5.334 -2.584 391 H ASP 53 H ASP 53 11.583 2.963 -1.288 392 HA ASP 53 HA ASP 53 12.325 1.044 -3.291 393 HB2 ASP 53 1HB ASP 53 12.230 0.478 -0.870 394 HB3 ASP 53 2HB ASP 53 10.486 0.658 -0.906 395 H ARG 54 H ARG 54 10.538 -0.642 -3.917 396 HA ARG 54 HA ARG 54 8.033 0.654 -4.791 397 HB2 ARG 54 1HB ARG 54 8.407 -0.555 -7.042 398 HB3 ARG 54 2HB ARG 54 9.324 0.919 -6.766 399 HG2 ARG 54 1HG ARG 54 10.651 -1.606 -5.826 400 HG3 ARG 54 2HG ARG 54 10.496 -1.427 -7.568 401 HD2 ARG 54 1HD ARG 54 11.639 0.726 -7.488 402 HD3 ARG 54 2HD ARG 54 11.708 0.652 -5.730 403 HE ARG 54 HE ARG 54 13.501 -0.810 -5.906 404 HH11 ARG 54 1HH2 ARG 54 11.802 -0.579 -8.917 405 HH12 ARG 54 2HH2 ARG 54 12.987 -1.478 -9.808 406 HH21 ARG 54 1HH1 ARG 54 15.049 -1.978 -7.058 407 HH22 ARG 54 2HH1 ARG 54 14.829 -2.272 -8.752 408 H VAL 55 H VAL 55 6.352 -0.614 -4.458 409 HA VAL 55 HA VAL 55 6.712 -3.554 -4.326 410 HB VAL 55 HB VAL 55 5.092 -3.493 -2.331 411 HG11 VAL 55 1HG1 VAL 55 7.871 -2.320 -2.017 412 HG12 VAL 55 2HG1 VAL 55 7.489 -4.038 -2.111 413 HG13 VAL 55 3HG1 VAL 55 6.930 -3.082 -0.742 414 HG21 VAL 55 3HG2 VAL 55 6.108 -0.635 -2.205 415 HG22 VAL 55 1HG2 VAL 55 5.034 -1.426 -1.052 416 HG23 VAL 55 2HG2 VAL 55 4.470 -1.089 -2.686 417 H ARG 56 H ARG 56 5.303 -4.637 -5.336 418 HA ARG 56 HA ARG 56 3.098 -3.393 -6.772 419 HB2 ARG 56 1HB ARG 56 3.980 -6.291 -6.607 420 HB3 ARG 56 2HB ARG 56 2.790 -5.652 -7.734 421 HG2 ARG 56 1HG ARG 56 5.609 -4.535 -7.638 422 HG3 ARG 56 2HG ARG 56 5.227 -5.959 -8.600 423 HD2 ARG 56 1HD ARG 56 3.554 -4.706 -9.861 424 HD3 ARG 56 2HD ARG 56 3.830 -3.273 -8.885 425 HE ARG 56 HE ARG 56 5.561 -4.319 -10.981 426 HH11 ARG 56 1HH2 ARG 56 5.201 -2.208 -8.247 427 HH12 ARG 56 2HH2 ARG 56 6.487 -1.150 -8.727 428 HH21 ARG 56 1HH1 ARG 56 7.231 -2.937 -11.609 429 HH22 ARG 56 2HH1 ARG 56 7.638 -1.565 -10.633 430 H VAL 57 H VAL 57 1.388 -2.879 -5.581 431 HA VAL 57 HA VAL 57 0.475 -4.680 -3.438 432 HB VAL 57 HB VAL 57 -0.243 -1.841 -4.216 433 HG11 VAL 57 1HG1 VAL 57 -2.299 -2.694 -3.379 434 HG12 VAL 57 2HG1 VAL 57 -1.550 -1.966 -1.959 435 HG13 VAL 57 3HG1 VAL 57 -1.500 -3.713 -2.185 436 HG21 VAL 57 3HG2 VAL 57 1.946 -2.294 -3.038 437 HG22 VAL 57 1HG2 VAL 57 1.021 -2.964 -1.694 438 HG23 VAL 57 2HG2 VAL 57 0.845 -1.264 -2.124 439 H THR 58 H THR 58 -1.518 -5.632 -3.397 440 HA THR 58 HA THR 58 -3.055 -5.656 -5.948 441 HB THR 58 HB THR 58 -2.971 -7.738 -3.751 442 HG1 THR 58 HG1 THR 58 -1.614 -7.442 -6.198 443 HG21 THR 58 3HG2 THR 58 -5.062 -7.808 -4.946 444 HG22 THR 58 1HG2 THR 58 -4.058 -9.131 -5.537 445 HG23 THR 58 2HG2 THR 58 -4.235 -7.665 -6.499 446 H PHE 59 H PHE 59 -5.235 -5.170 -5.900 447 HA PHE 59 HA PHE 59 -6.638 -5.004 -3.334 448 HB2 PHE 59 1HB PHE 59 -7.247 -2.707 -3.511 449 HB3 PHE 59 2HB PHE 59 -5.505 -2.750 -3.709 450 HD1 PHE 59 HD1 PHE 59 -8.743 -2.248 -5.430 451 HD2 PHE 59 HD2 PHE 59 -4.464 -2.308 -5.907 452 HE1 PHE 59 HE1 PHE 59 -8.961 -1.125 -7.611 453 HE2 PHE 59 HE2 PHE 59 -4.709 -1.186 -8.097 454 HZ PHE 59 HZ PHE 59 -6.950 -0.585 -8.952 455 H ILE 60 H ILE 60 -8.945 -5.011 -3.590 456 HA ILE 60 HA ILE 60 -9.862 -5.802 -6.271 457 HB ILE 60 HB ILE 60 -10.570 -6.667 -3.492 458 HG12 ILE 60 1HG1 ILE 60 -10.583 -8.884 -4.535 459 HG13 ILE 60 2HG1 ILE 60 -10.465 -8.162 -6.139 460 HG21 ILE 60 1HG2 ILE 60 -12.768 -5.975 -4.168 461 HG22 ILE 60 2HG2 ILE 60 -12.711 -7.713 -4.450 462 HG23 ILE 60 3HG2 ILE 60 -12.533 -6.596 -5.806 463 HD11 ILE 60 3HD1 ILE 60 -8.296 -9.075 -4.912 464 HD12 ILE 60 1HD1 ILE 60 -8.335 -7.505 -4.111 465 HD13 ILE 60 2HD1 ILE 60 -8.225 -7.596 -5.866 466 H ARG 61 H ARG 61 -11.351 -4.778 -7.295 467 HA ARG 61 HA ARG 61 -13.062 -2.816 -5.924 468 HB2 ARG 61 1HB ARG 61 -11.180 -1.556 -6.818 469 HB3 ARG 61 2HB ARG 61 -11.414 -2.265 -8.403 470 HG2 ARG 61 1HG ARG 61 -13.600 -1.213 -8.606 471 HG3 ARG 61 2HG ARG 61 -13.518 -0.640 -6.942 472 HD2 ARG 61 1HD ARG 61 -11.497 0.703 -7.566 473 HD3 ARG 61 2HD ARG 61 -11.738 0.201 -9.239 474 HE ARG 61 HE ARG 61 -13.584 1.624 -9.381 475 HH11 ARG 61 1HH2 ARG 61 -12.471 1.306 -6.115 476 HH12 ARG 61 2HH2 ARG 61 -13.491 2.563 -5.499 477 HH21 ARG 61 1HH1 ARG 61 -14.939 3.255 -8.578 478 HH22 ARG 61 2HH1 ARG 61 -14.890 3.667 -6.895 479 H ASP 62 H ASP 62 -15.072 -3.218 -6.379 480 HA ASP 62 HA ASP 62 -16.972 -4.134 -7.357 481 HB2 ASP 62 1HB ASP 62 -15.518 -3.038 -9.777 482 HB3 ASP 62 2HB ASP 62 -17.190 -3.590 -9.804 483 H ARG 63 H ARG 63 -15.054 -6.137 -6.811 484 HA ARG 63 HA ARG 63 -14.717 -8.299 -7.235 485 HB2 ARG 63 1HB ARG 63 -17.151 -8.042 -8.198 486 HB3 ARG 63 2HB ARG 63 -16.362 -8.206 -9.763 487 HG2 ARG 63 1HG ARG 63 -15.280 -10.337 -8.876 488 HG3 ARG 63 2HG ARG 63 -16.321 -10.189 -7.461 489 HD2 ARG 63 1HD ARG 63 -17.280 -10.359 -10.326 490 HD3 ARG 63 2HD ARG 63 -17.303 -11.685 -9.165 491 HE ARG 63 HE ARG 63 -18.665 -9.636 -7.926 492 HH11 ARG 63 1HH2 ARG 63 -18.902 -11.369 -10.918 493 HH12 ARG 63 2HH2 ARG 63 -20.623 -11.204 -11.033 494 HH21 ARG 63 1HH1 ARG 63 -20.911 -9.412 -8.073 495 HH22 ARG 63 2HH1 ARG 63 -21.761 -10.093 -9.421 496 H LYS 64 H LYS 64 -13.561 -5.852 -9.024 497 HA LYS 64 HA LYS 64 -12.059 -7.558 -10.931 498 HB2 LYS 64 1HB LYS 64 -12.446 -4.562 -10.863 499 HB3 LYS 64 2HB LYS 64 -11.574 -5.454 -12.093 500 HG2 LYS 64 1HG LYS 64 -13.530 -6.380 -13.022 501 HG3 LYS 64 2HG LYS 64 -14.454 -6.191 -11.535 502 HD2 LYS 64 1HD LYS 64 -15.125 -4.587 -13.351 503 HD3 LYS 64 2HD LYS 64 -14.620 -3.796 -11.862 504 HE2 LYS 64 1HE LYS 64 -12.495 -3.205 -12.779 505 HE3 LYS 64 2HE LYS 64 -12.714 -4.280 -14.165 506 HZ1 LYS 64 3HZ LYS 64 -14.069 -1.719 -13.586 507 HZ2 LYS 64 1HZ LYS 64 -14.751 -2.845 -14.655 508 HZ3 LYS 64 2HZ LYS 64 -13.223 -2.178 -14.986 509 H GLN 65 H GLN 65 -10.255 -8.263 -9.888 510 HA GLN 65 HA GLN 65 -8.817 -6.654 -8.023 511 HB2 GLN 65 1HB GLN 65 -7.262 -8.553 -7.972 512 HB3 GLN 65 2HB GLN 65 -8.932 -9.084 -7.782 513 HG2 GLN 65 1HG GLN 65 -9.003 -9.580 -10.234 514 HG3 GLN 65 2HG GLN 65 -7.291 -9.177 -10.330 515 HE21 GLN 65 2HE2 GLN 65 -9.557 -11.666 -9.435 516 HE22 GLN 65 1HE2 GLN 65 -8.405 -12.798 -8.911 517 H HIS 66 H HIS 66 -6.994 -5.522 -8.278 518 HA HIS 66 HA HIS 66 -5.498 -5.617 -10.798 519 HB2 HIS 66 1HB HIS 66 -6.795 -3.090 -9.752 520 HB3 HIS 66 2HB HIS 66 -5.594 -3.145 -11.038 521 HD1 HIS 66 HD1 HIS 66 -6.312 -4.468 -13.256 522 HD2 HIS 66 HD2 HIS 66 -9.375 -3.692 -10.549 523 HE1 HIS 66 HE1 HIS 66 -8.480 -4.817 -14.518 524 HE2 HIS 66 HE2 HIS 66 -10.363 -4.338 -12.885 525 H GLU 67 H GLU 67 -3.421 -4.968 -10.611 526 HA GLU 67 HA GLU 67 -2.299 -4.722 -7.953 527 HB2 GLU 67 1HB GLU 67 -1.048 -5.105 -10.675 528 HB3 GLU 67 2HB GLU 67 -0.112 -4.933 -9.191 529 HG2 GLU 67 1HG GLU 67 -1.177 -6.902 -8.241 530 HG3 GLU 67 2HG GLU 67 -2.218 -7.059 -9.655 531 H ALA 68 H ALA 68 -1.483 -2.917 -7.122 532 HA ALA 68 HA ALA 68 -1.417 -0.461 -8.757 533 HB1 ALA 68 3HB ALA 68 -1.485 0.611 -6.357 534 HB2 ALA 68 1HB ALA 68 -2.029 -0.993 -5.856 535 HB3 ALA 68 2HB ALA 68 -2.963 -0.069 -7.023 536 H GLU 69 H GLU 69 0.465 0.282 -9.247 537 HA GLU 69 HA GLU 69 2.924 -0.657 -8.028 538 HB2 GLU 69 1HB GLU 69 2.399 1.467 -10.131 539 HB3 GLU 69 2HB GLU 69 4.008 0.970 -9.606 540 HG2 GLU 69 1HG GLU 69 3.520 -1.347 -10.296 541 HG3 GLU 69 2HG GLU 69 1.914 -0.850 -10.822 542 H LEU 70 H LEU 70 3.177 0.019 -6.012 543 HA LEU 70 HA LEU 70 2.961 2.918 -5.384 544 HB2 LEU 70 1HB LEU 70 1.375 1.492 -4.184 545 HB3 LEU 70 2HB LEU 70 2.709 0.558 -3.526 546 HG LEU 70 HG LEU 70 2.959 3.512 -3.079 547 HD11 LEU 70 1HD1 LEU 70 0.581 3.414 -2.765 548 HD12 LEU 70 2HD1 LEU 70 1.321 3.467 -1.165 549 HD13 LEU 70 3HD1 LEU 70 0.705 1.942 -1.811 550 HD21 LEU 70 3HD2 LEU 70 3.625 2.771 -0.820 551 HD22 LEU 70 1HD2 LEU 70 4.489 1.848 -2.045 552 HD23 LEU 70 2HD2 LEU 70 3.131 1.122 -1.207 553 H VAL 71 H VAL 71 4.500 3.906 -4.143 554 HA VAL 71 HA VAL 71 7.052 2.469 -3.694 555 HB VAL 71 HB VAL 71 8.235 4.584 -4.329 556 HG11 VAL 71 1HG1 VAL 71 6.486 3.250 -6.415 557 HG12 VAL 71 2HG1 VAL 71 8.108 2.762 -5.929 558 HG13 VAL 71 3HG1 VAL 71 7.868 4.280 -6.794 559 HG21 VAL 71 3HG2 VAL 71 5.490 5.346 -5.340 560 HG22 VAL 71 1HG2 VAL 71 6.971 6.237 -5.664 561 HG23 VAL 71 2HG2 VAL 71 6.347 6.135 -4.018 562 H LEU 72 H LEU 72 8.012 2.767 -1.793 563 HA LEU 72 HA LEU 72 6.601 3.831 0.371 564 HB2 LEU 72 1HB LEU 72 9.458 2.971 -0.056 565 HB3 LEU 72 2HB LEU 72 8.954 3.633 1.494 566 HG LEU 72 HG LEU 72 8.855 1.145 1.410 567 HD11 LEU 72 1HD1 LEU 72 5.955 1.868 1.643 568 HD12 LEU 72 2HD1 LEU 72 7.057 2.792 2.647 569 HD13 LEU 72 3HD1 LEU 72 7.010 1.042 2.787 570 HD21 LEU 72 3HD2 LEU 72 7.329 -0.029 -0.010 571 HD22 LEU 72 1HD2 LEU 72 8.163 1.108 -1.066 572 HD23 LEU 72 2HD2 LEU 72 6.526 1.456 -0.509 573 H LYS 73 H LYS 73 6.443 5.792 1.224 574 HA LYS 73 HA LYS 73 8.433 7.864 0.576 575 HB2 LYS 73 1HB LYS 73 5.472 8.031 0.021 576 HB3 LYS 73 2HB LYS 73 6.525 9.443 0.112 577 HG2 LYS 73 1HG LYS 73 7.955 8.476 -1.680 578 HG3 LYS 73 2HG LYS 73 6.866 7.100 -1.789 579 HD2 LYS 73 1HD LYS 73 6.278 8.647 -3.535 580 HD3 LYS 73 2HD LYS 73 5.000 8.663 -2.325 581 HE2 LYS 73 1HE LYS 73 5.601 10.809 -1.537 582 HE3 LYS 73 2HE LYS 73 7.251 10.684 -2.153 583 HZ1 LYS 73 3HZ LYS 73 5.522 12.109 -3.391 584 HZ2 LYS 73 1HZ LYS 73 4.981 10.626 -4.012 585 HZ3 LYS 73 2HZ LYS 73 6.583 11.124 -4.280 586 HA PRO 74 HA PRO 74 7.590 7.783 5.144 587 HB2 PRO 74 1HB PRO 74 9.833 9.776 4.855 588 HB3 PRO 74 2HB PRO 74 9.615 8.509 6.082 589 HG2 PRO 74 1HG PRO 74 11.319 8.155 4.074 590 HG3 PRO 74 2HG PRO 74 10.294 6.816 4.632 591 HD2 PRO 74 1HD PRO 74 10.019 8.488 2.155 592 HD3 PRO 74 2HD PRO 74 9.608 6.778 2.408 593 H PHE 75 H PHE 75 7.407 9.748 6.708 594 HA PHE 75 HA PHE 75 5.760 11.813 5.373 595 HB2 PHE 75 1HB PHE 75 5.681 10.870 8.250 596 HB3 PHE 75 2HB PHE 75 4.596 12.037 7.512 597 HD1 PHE 75 HD2 PHE 75 3.162 11.329 5.525 598 HD2 PHE 75 HD1 PHE 75 5.268 8.528 8.015 599 HE1 PHE 75 HE2 PHE 75 1.707 9.497 4.700 600 HE2 PHE 75 HE1 PHE 75 3.814 6.706 7.193 601 HZ PHE 75 HZ PHE 75 2.033 7.184 5.536 602 HA PRO 76 HA PRO 76 8.708 14.909 6.633 603 HB2 PRO 76 1HB PRO 76 7.019 17.088 7.070 604 HB3 PRO 76 2HB PRO 76 7.533 16.536 5.464 605 HG2 PRO 76 1HG PRO 76 4.973 15.987 6.922 606 HG3 PRO 76 2HG PRO 76 5.231 16.353 5.203 607 HD2 PRO 76 1HD PRO 76 4.793 13.826 6.062 608 HD3 PRO 76 2HD PRO 76 5.874 14.156 4.695 609 H HIS 77 H HIS 77 5.898 14.314 8.661 610 HA HIS 77 HA HIS 77 6.932 15.632 10.998 611 HB2 HIS 77 1HB HIS 77 4.757 13.543 10.729 612 HB3 HIS 77 2HB HIS 77 5.079 14.516 12.163 613 HD1 HIS 77 HD1 HIS 77 5.436 16.131 8.824 614 HD2 HIS 77 HD2 HIS 77 2.544 15.861 11.814 615 HE1 HIS 77 HE1 HIS 77 3.696 17.892 8.297 616 HE2 HIS 77 HE2 HIS 77 1.926 17.742 10.109 617 H HIS 78 H HIS 78 7.033 12.404 9.651 618 HA HIS 78 HA HIS 78 8.958 11.555 11.745 619 HB2 HIS 78 1HB HIS 78 6.796 9.812 10.565 620 HB3 HIS 78 2HB HIS 78 7.959 9.371 11.818 621 HD1 HIS 78 HD1 HIS 78 7.797 10.834 14.105 622 HD2 HIS 78 HD2 HIS 78 4.507 11.065 11.553 623 HE1 HIS 78 HE1 HIS 78 5.885 11.764 15.483 624 HE2 HIS 78 HE2 HIS 78 3.874 11.911 13.941 625 HA PRO 79 HA PRO 79 10.528 11.059 7.332 626 HB2 PRO 79 1HB PRO 79 13.131 11.903 7.935 627 HB3 PRO 79 2HB PRO 79 11.843 12.975 7.349 628 HG2 PRO 79 1HG PRO 79 12.794 12.511 10.151 629 HG3 PRO 79 2HG PRO 79 12.310 14.030 9.365 630 HD2 PRO 79 1HD PRO 79 10.660 12.742 11.067 631 HD3 PRO 79 2HD PRO 79 10.019 13.598 9.655 632 H ASN 80 H ASN 80 11.493 9.928 10.488 633 HA ASN 80 HA ASN 80 13.248 7.846 9.403 634 HB2 ASN 80 1HB ASN 80 12.458 8.668 12.209 635 HB3 ASN 80 2HB ASN 80 13.523 7.312 11.847 636 HD21 ASN 80 2HD2 ASN 80 14.986 8.490 9.665 637 HD22 ASN 80 1HD2 ASN 80 15.918 9.765 10.291 638 H GLN 81 H GLN 81 10.142 8.117 9.165 639 HA GLN 81 HA GLN 81 9.576 5.304 9.896 640 HB2 GLN 81 1HB GLN 81 8.608 6.943 11.595 641 HB3 GLN 81 2HB GLN 81 7.566 7.536 10.303 642 HG2 GLN 81 1HG GLN 81 6.297 5.866 11.476 643 HG3 GLN 81 2HG GLN 81 6.807 5.119 9.965 644 HE21 GLN 81 2HE2 GLN 81 8.386 5.603 13.182 645 HE22 GLN 81 1HE2 GLN 81 8.864 3.984 13.349 646 H ILE 82 H ILE 82 8.882 4.224 8.231 647 HA ILE 82 HA ILE 82 8.142 5.569 5.760 648 HB ILE 82 HB ILE 82 7.909 2.652 5.615 649 HG12 ILE 82 1HG1 ILE 82 9.375 2.627 7.590 650 HG13 ILE 82 2HG1 ILE 82 10.237 2.060 6.171 651 HG21 ILE 82 1HG2 ILE 82 9.527 2.879 3.850 652 HG22 ILE 82 2HG2 ILE 82 10.053 4.452 4.445 653 HG23 ILE 82 3HG2 ILE 82 8.451 4.272 3.757 654 HD11 ILE 82 3HD1 ILE 82 11.831 3.622 6.532 655 HD12 ILE 82 1HD1 ILE 82 10.939 4.223 7.929 656 HD13 ILE 82 2HD1 ILE 82 10.641 4.908 6.333 657 H GLY 83 H GLY 83 6.348 4.073 4.528 658 HA2 GLY 83 1HA GLY 83 4.165 2.992 5.734 659 HA3 GLY 83 2HA GLY 83 3.876 4.722 5.884 660 H LEU 84 H LEU 84 2.033 3.419 4.472 661 HA LEU 84 HA LEU 84 2.687 3.195 1.666 662 HB2 LEU 84 1HB LEU 84 0.146 3.070 3.294 663 HB3 LEU 84 2HB LEU 84 0.103 2.992 1.536 664 HG LEU 84 HG LEU 84 0.116 0.739 2.599 665 HD11 LEU 84 1HD1 LEU 84 1.422 1.442 0.349 666 HD12 LEU 84 2HD1 LEU 84 1.404 -0.206 0.946 667 HD13 LEU 84 3HD1 LEU 84 2.797 0.829 1.261 668 HD21 LEU 84 3HD2 LEU 84 1.597 1.542 4.557 669 HD22 LEU 84 1HD2 LEU 84 2.962 1.302 3.464 670 HD23 LEU 84 2HD2 LEU 84 1.941 -0.061 3.909 671 H GLY 85 H GLY 85 -0.186 4.984 2.685 672 HA2 GLY 85 1HA GLY 85 0.779 7.585 2.191 673 HA3 GLY 85 2HA GLY 85 0.094 6.915 0.714 674 H VAL 86 H VAL 86 -1.640 5.289 2.819 675 HA VAL 86 HA VAL 86 -3.795 7.335 3.049 676 HB VAL 86 HB VAL 86 -5.345 5.422 3.065 677 HG11 VAL 86 1HG1 VAL 86 -3.379 5.518 0.754 678 HG12 VAL 86 2HG1 VAL 86 -4.804 6.535 0.951 679 HG13 VAL 86 3HG1 VAL 86 -4.986 4.806 0.671 680 HG21 VAL 86 3HG2 VAL 86 -4.461 3.189 2.424 681 HG22 VAL 86 1HG2 VAL 86 -3.837 3.709 3.989 682 HG23 VAL 86 2HG2 VAL 86 -2.818 3.815 2.551 683 H THR 87 H THR 87 -5.374 6.811 4.927 684 HA THR 87 HA THR 87 -3.790 6.747 7.349 685 HB THR 87 HB THR 87 -6.777 7.041 7.001 686 HG1 THR 87 HG1 THR 87 -4.753 8.659 6.302 687 HG21 THR 87 3HG2 THR 87 -6.563 8.253 9.171 688 HG22 THR 87 1HG2 THR 87 -4.862 7.791 9.226 689 HG23 THR 87 2HG2 THR 87 -6.115 6.552 9.291 Start of MODEL 10 1 H1 MET 1 1H MET 1 -18.127 -10.217 0.698 2 H2 MET 1 2H MET 1 -17.457 -11.505 -0.184 3 H3 MET 1 3H MET 1 -17.589 -11.607 1.507 4 HA MET 1 HA MET 1 -20.084 -11.356 1.154 5 HB2 MET 1 1HB MET 1 -19.117 -12.155 -1.613 6 HB3 MET 1 2HB MET 1 -20.794 -12.240 -1.081 7 HG2 MET 1 1HG MET 1 -19.145 -9.695 -1.050 8 HG3 MET 1 2HG MET 1 -20.226 -10.143 -2.367 9 HE1 MET 1 3HE MET 1 -22.830 -11.132 -1.544 10 HE2 MET 1 1HE MET 1 -22.562 -9.674 -2.507 11 HE3 MET 1 2HE MET 1 -23.709 -9.655 -1.171 12 H ASN 2 H ASN 2 -20.061 -12.932 2.694 13 HA ASN 2 HA ASN 2 -20.028 -15.028 3.624 14 HB2 ASN 2 1HB ASN 2 -20.310 -15.933 0.747 15 HB3 ASN 2 2HB ASN 2 -20.709 -16.870 2.184 16 HD21 ASN 2 2HD2 ASN 2 -22.128 -14.994 -0.184 17 HD22 ASN 2 1HD2 ASN 2 -23.504 -14.477 0.665 18 H GLU 3 H GLU 3 -18.245 -15.874 4.507 19 HA GLU 3 HA GLU 3 -16.092 -16.579 4.799 20 HB2 GLU 3 1HB GLU 3 -17.215 -18.507 3.581 21 HB3 GLU 3 2HB GLU 3 -16.477 -17.898 2.102 22 HG2 GLU 3 1HG GLU 3 -14.989 -19.572 2.951 23 HG3 GLU 3 2HG GLU 3 -14.236 -18.022 3.301 24 H ALA 4 H ALA 4 -15.713 -14.175 4.311 25 HA ALA 4 HA ALA 4 -13.332 -13.964 2.725 26 HB1 ALA 4 3HB ALA 4 -15.022 -13.862 0.918 27 HB2 ALA 4 1HB ALA 4 -14.115 -12.358 1.065 28 HB3 ALA 4 2HB ALA 4 -15.755 -12.464 1.704 29 H LYS 5 H LYS 5 -12.485 -11.695 2.696 30 HA LYS 5 HA LYS 5 -13.533 -10.013 4.912 31 HB2 LYS 5 1HB LYS 5 -11.647 -11.493 5.705 32 HB3 LYS 5 2HB LYS 5 -10.586 -10.655 4.578 33 HG2 LYS 5 1HG LYS 5 -11.042 -8.513 5.704 34 HG3 LYS 5 2HG LYS 5 -12.207 -9.297 6.764 35 HD2 LYS 5 1HD LYS 5 -10.407 -10.721 7.673 36 HD3 LYS 5 2HD LYS 5 -9.245 -9.905 6.629 37 HE2 LYS 5 1HE LYS 5 -10.965 -8.466 8.673 38 HE3 LYS 5 2HE LYS 5 -9.315 -9.002 8.983 39 HZ1 LYS 5 3HZ LYS 5 -8.697 -7.064 8.130 40 HZ2 LYS 5 1HZ LYS 5 -10.240 -6.734 7.512 41 HZ3 LYS 5 2HZ LYS 5 -9.149 -7.672 6.610 42 H GLY 6 H GLY 6 -10.497 -9.029 3.862 43 HA2 GLY 6 1HA GLY 6 -9.853 -7.738 1.960 44 HA3 GLY 6 2HA GLY 6 -11.517 -7.208 1.823 45 H VAL 7 H VAL 7 -8.477 -6.376 2.943 46 HA VAL 7 HA VAL 7 -9.001 -4.861 5.255 47 HB VAL 7 HB VAL 7 -6.980 -4.268 3.084 48 HG11 VAL 7 1HG1 VAL 7 -5.701 -3.316 5.017 49 HG12 VAL 7 2HG1 VAL 7 -7.127 -3.565 6.026 50 HG13 VAL 7 3HG1 VAL 7 -7.191 -2.440 4.671 51 HG21 VAL 7 3HG2 VAL 7 -5.461 -5.654 4.505 52 HG22 VAL 7 1HG2 VAL 7 -6.784 -6.590 3.811 53 HG23 VAL 7 2HG2 VAL 7 -6.848 -6.093 5.502 54 H TYR 8 H TYR 8 -10.858 -3.656 5.118 55 HA TYR 8 HA TYR 8 -11.696 -2.083 2.962 56 HB2 TYR 8 1HB TYR 8 -12.318 -1.312 5.816 57 HB3 TYR 8 2HB TYR 8 -13.372 -1.268 4.404 58 HD1 TYR 8 HD2 TYR 8 -13.328 -3.816 3.177 59 HD2 TYR 8 HD1 TYR 8 -13.006 -2.948 7.380 60 HE1 TYR 8 HE2 TYR 8 -14.157 -6.087 3.717 61 HE2 TYR 8 HE1 TYR 8 -13.842 -5.212 7.905 62 HH TYR 8 HH TYR 8 -15.337 -6.948 6.653 63 H VAL 9 H VAL 9 -10.656 -0.430 2.061 64 HA VAL 9 HA VAL 9 -8.735 1.183 3.514 65 HB VAL 9 HB VAL 9 -9.834 1.314 0.687 66 HG11 VAL 9 1HG1 VAL 9 -7.809 2.841 0.323 67 HG12 VAL 9 2HG1 VAL 9 -7.730 2.991 2.081 68 HG13 VAL 9 3HG1 VAL 9 -9.154 3.555 1.212 69 HG21 VAL 9 3HG2 VAL 9 -7.658 0.397 0.076 70 HG22 VAL 9 1HG2 VAL 9 -8.389 -0.643 1.301 71 HG23 VAL 9 2HG2 VAL 9 -7.116 0.489 1.752 72 H MET 10 H MET 10 -9.124 3.152 4.512 73 HA MET 10 HA MET 10 -11.824 4.109 4.621 74 HB2 MET 10 1HB MET 10 -10.612 4.154 6.662 75 HB3 MET 10 2HB MET 10 -9.196 4.876 5.901 76 HG2 MET 10 1HG MET 10 -10.203 7.000 5.747 77 HG3 MET 10 2HG MET 10 -11.832 6.347 5.907 78 HE1 MET 10 3HE MET 10 -12.031 8.430 7.302 79 HE2 MET 10 1HE MET 10 -10.369 8.880 7.708 80 HE3 MET 10 2HE MET 10 -11.544 8.590 8.988 81 H SER 11 H SER 11 -8.809 5.963 4.088 82 HA SER 11 HA SER 11 -10.190 7.472 1.913 83 HB2 SER 11 1HB SER 11 -8.522 8.598 4.176 84 HB3 SER 11 2HB SER 11 -9.118 9.521 2.801 85 HG SER 11 HG SER 11 -11.105 8.080 3.915 86 H VAL 12 H VAL 12 -8.763 8.649 0.532 87 HA VAL 12 HA VAL 12 -6.056 7.430 0.222 88 HB VAL 12 HB VAL 12 -8.054 8.118 -1.951 89 HG11 VAL 12 1HG1 VAL 12 -5.145 7.276 -2.078 90 HG12 VAL 12 2HG1 VAL 12 -5.873 8.725 -2.770 91 HG13 VAL 12 3HG1 VAL 12 -6.240 7.145 -3.456 92 HG21 VAL 12 3HG2 VAL 12 -6.859 5.507 -0.969 93 HG22 VAL 12 1HG2 VAL 12 -7.760 5.662 -2.472 94 HG23 VAL 12 2HG2 VAL 12 -8.559 5.976 -0.935 95 H LEU 13 H LEU 13 -4.464 8.850 0.069 96 HA LEU 13 HA LEU 13 -5.108 11.668 0.152 97 HB2 LEU 13 1HB LEU 13 -2.659 10.082 0.726 98 HB3 LEU 13 2HB LEU 13 -2.529 11.813 0.473 99 HG LEU 13 HG LEU 13 -2.842 11.189 2.887 100 HD11 LEU 13 1HD1 LEU 13 -5.388 12.653 2.278 101 HD12 LEU 13 2HD1 LEU 13 -3.927 13.361 1.594 102 HD13 LEU 13 3HD1 LEU 13 -4.049 13.101 3.330 103 HD21 LEU 13 3HD2 LEU 13 -4.405 9.219 2.253 104 HD22 LEU 13 1HD2 LEU 13 -5.681 10.432 2.121 105 HD23 LEU 13 2HD2 LEU 13 -4.865 10.175 3.660 106 HA PRO 14 HA PRO 14 -4.513 12.031 -4.308 107 HB2 PRO 14 1HB PRO 14 -4.421 14.940 -3.535 108 HB3 PRO 14 2HB PRO 14 -5.363 14.151 -4.818 109 HG2 PRO 14 1HG PRO 14 -6.533 14.928 -2.555 110 HG3 PRO 14 2HG PRO 14 -6.989 13.401 -3.338 111 HD2 PRO 14 1HD PRO 14 -5.292 13.829 -0.896 112 HD3 PRO 14 2HD PRO 14 -6.456 12.540 -1.278 113 H ASN 15 H ASN 15 -2.494 13.224 -1.740 114 HA ASN 15 HA ASN 15 -0.283 13.908 -3.585 115 HB2 ASN 15 1HB ASN 15 -0.881 15.491 -1.755 116 HB3 ASN 15 2HB ASN 15 -0.443 14.251 -0.582 117 HD21 ASN 15 2HD2 ASN 15 1.073 15.527 -3.611 118 HD22 ASN 15 1HD2 ASN 15 2.611 15.728 -2.921 119 H MET 16 H MET 16 -1.285 11.108 -2.861 120 HA MET 16 HA MET 16 1.316 10.088 -1.923 121 HB2 MET 16 1HB MET 16 -1.462 9.294 -1.171 122 HB3 MET 16 2HB MET 16 -0.258 8.022 -1.228 123 HG2 MET 16 1HG MET 16 0.162 10.605 0.302 124 HG3 MET 16 2HG MET 16 -0.517 9.151 1.034 125 HE1 MET 16 3HE MET 16 1.113 8.917 2.778 126 HE2 MET 16 1HE MET 16 2.040 10.357 2.334 127 HE3 MET 16 2HE MET 16 2.865 8.827 2.622 128 HA PRO 17 HA PRO 17 1.825 7.779 -5.606 129 HB2 PRO 17 1HB PRO 17 2.346 5.285 -4.036 130 HB3 PRO 17 2HB PRO 17 3.411 6.132 -5.172 131 HG2 PRO 17 1HG PRO 17 3.827 6.214 -2.524 132 HG3 PRO 17 2HG PRO 17 4.171 7.611 -3.562 133 HD2 PRO 17 1HD PRO 17 1.847 7.146 -1.715 134 HD3 PRO 17 2HD PRO 17 2.740 8.627 -2.074 135 H ALA 18 H ALA 18 -0.446 6.543 -3.224 136 HA ALA 18 HA ALA 18 -1.551 4.474 -4.904 137 HB1 ALA 18 3HB ALA 18 -2.435 5.760 -2.313 138 HB2 ALA 18 1HB ALA 18 -1.665 4.190 -2.525 139 HB3 ALA 18 2HB ALA 18 -3.315 4.444 -3.088 140 H ALA 19 H ALA 19 -1.908 7.832 -4.734 141 HA ALA 19 HA ALA 19 -4.658 8.102 -5.456 142 HB1 ALA 19 3HB ALA 19 -2.380 10.012 -6.022 143 HB2 ALA 19 1HB ALA 19 -3.339 9.974 -4.544 144 HB3 ALA 19 2HB ALA 19 -4.101 10.397 -6.078 145 H GLY 20 H GLY 20 -5.665 7.931 -7.359 146 HA2 GLY 20 1HA GLY 20 -5.963 7.941 -9.686 147 HA3 GLY 20 2HA GLY 20 -4.219 8.064 -9.901 148 H ARG 21 H ARG 21 -4.022 5.773 -7.853 149 HA ARG 21 HA ARG 21 -4.402 3.567 -9.808 150 HB2 ARG 21 1HB ARG 21 -2.564 3.870 -7.419 151 HB3 ARG 21 2HB ARG 21 -2.749 2.372 -8.331 152 HG2 ARG 21 1HG ARG 21 -2.032 3.519 -10.387 153 HG3 ARG 21 2HG ARG 21 -1.864 5.032 -9.493 154 HD2 ARG 21 1HD ARG 21 -0.175 3.983 -8.032 155 HD3 ARG 21 2HD ARG 21 -0.349 2.473 -8.917 156 HE ARG 21 HE ARG 21 0.874 3.388 -10.688 157 HH11 ARG 21 1HH2 ARG 21 0.074 5.804 -8.330 158 HH12 ARG 21 2HH2 ARG 21 1.157 6.988 -8.985 159 HH21 ARG 21 1HH1 ARG 21 2.290 4.934 -11.535 160 HH22 ARG 21 2HH1 ARG 21 2.407 6.497 -10.795 161 H LEU 22 H LEU 22 -4.895 4.490 -6.422 162 HA LEU 22 HA LEU 22 -6.878 2.301 -6.157 163 HB2 LEU 22 1HB LEU 22 -4.556 2.996 -4.509 164 HB3 LEU 22 2HB LEU 22 -6.021 3.017 -3.536 165 HG LEU 22 HG LEU 22 -5.342 0.685 -5.364 166 HD11 LEU 22 1HD1 LEU 22 -4.592 1.124 -2.464 167 HD12 LEU 22 2HD1 LEU 22 -3.490 0.886 -3.819 168 HD13 LEU 22 3HD1 LEU 22 -4.519 -0.439 -3.277 169 HD21 LEU 22 3HD2 LEU 22 -6.930 -0.502 -3.933 170 HD22 LEU 22 1HD2 LEU 22 -7.701 0.974 -4.503 171 HD23 LEU 22 2HD2 LEU 22 -7.062 0.895 -2.868 172 H GLU 23 H GLU 23 -8.660 2.696 -4.771 173 HA GLU 23 HA GLU 23 -9.273 5.552 -4.263 174 HB2 GLU 23 1HB GLU 23 -10.941 3.596 -5.850 175 HB3 GLU 23 2HB GLU 23 -11.574 5.103 -5.195 176 HG2 GLU 23 1HG GLU 23 -9.886 6.376 -6.471 177 HG3 GLU 23 2HG GLU 23 -9.211 4.875 -7.093 178 H ALA 24 H ALA 24 -10.935 5.899 -2.763 179 HA ALA 24 HA ALA 24 -10.883 4.246 -0.496 180 HB1 ALA 24 3HB ALA 24 -11.447 6.653 -0.411 181 HB2 ALA 24 1HB ALA 24 -12.702 5.675 0.350 182 HB3 ALA 24 2HB ALA 24 -12.952 6.324 -1.270 183 H GLY 25 H GLY 25 -12.106 2.539 0.128 184 HA2 GLY 25 1HA GLY 25 -14.193 1.328 0.210 185 HA3 GLY 25 2HA GLY 25 -14.509 1.801 -1.458 186 H ASP 26 H ASP 26 -11.607 1.302 -2.132 187 HA ASP 26 HA ASP 26 -11.904 -1.426 -2.976 188 HB2 ASP 26 1HB ASP 26 -9.376 0.233 -2.929 189 HB3 ASP 26 2HB ASP 26 -9.707 -1.162 -3.935 190 H ARG 27 H ARG 27 -10.852 -3.280 -2.252 191 HA ARG 27 HA ARG 27 -9.659 -3.126 0.460 192 HB2 ARG 27 1HB ARG 27 -10.339 -5.509 0.648 193 HB3 ARG 27 2HB ARG 27 -11.699 -4.406 0.464 194 HG2 ARG 27 1HG ARG 27 -12.054 -5.025 -1.809 195 HG3 ARG 27 2HG ARG 27 -10.477 -5.798 -1.941 196 HD2 ARG 27 1HD ARG 27 -11.147 -7.597 -0.488 197 HD3 ARG 27 2HD ARG 27 -12.663 -6.795 -0.089 198 HE ARG 27 HE ARG 27 -12.644 -7.083 -2.850 199 HH11 ARG 27 1HH2 ARG 27 -12.465 -9.113 -0.045 200 HH12 ARG 27 2HH2 ARG 27 -13.244 -10.459 -0.808 201 HH21 ARG 27 1HH1 ARG 27 -13.664 -8.841 -3.843 202 HH22 ARG 27 2HH1 ARG 27 -13.921 -10.305 -2.954 203 H ILE 28 H ILE 28 -7.898 -4.451 0.940 204 HA ILE 28 HA ILE 28 -6.136 -4.973 -1.381 205 HB ILE 28 HB ILE 28 -5.360 -5.122 1.547 206 HG12 ILE 28 1HG1 ILE 28 -6.313 -2.915 1.220 207 HG13 ILE 28 2HG1 ILE 28 -4.561 -2.758 1.236 208 HG21 ILE 28 1HG2 ILE 28 -3.788 -6.100 -0.074 209 HG22 ILE 28 2HG2 ILE 28 -3.120 -4.623 0.622 210 HG23 ILE 28 3HG2 ILE 28 -3.801 -4.600 -1.002 211 HD11 ILE 28 3HD1 ILE 28 -5.257 -1.428 -0.603 212 HD12 ILE 28 1HD1 ILE 28 -6.437 -2.623 -1.131 213 HD13 ILE 28 2HD1 ILE 28 -4.715 -2.926 -1.356 214 H ALA 29 H ALA 29 -6.008 -6.926 -2.172 215 HA ALA 29 HA ALA 29 -6.926 -9.242 -0.590 216 HB1 ALA 29 3HB ALA 29 -7.855 -9.073 -2.799 217 HB2 ALA 29 1HB ALA 29 -6.735 -10.434 -2.788 218 HB3 ALA 29 2HB ALA 29 -6.255 -8.900 -3.520 219 H ALA 30 H ALA 30 -4.031 -7.719 -1.571 220 HA ALA 30 HA ALA 30 -2.328 -9.372 -0.102 221 HB1 ALA 30 3HB ALA 30 -2.725 -10.268 -2.947 222 HB2 ALA 30 1HB ALA 30 -2.604 -11.255 -1.496 223 HB3 ALA 30 2HB ALA 30 -1.159 -10.513 -2.171 224 H ILE 31 H ILE 31 -0.027 -9.027 -0.571 225 HA ILE 31 HA ILE 31 0.564 -6.676 -2.257 226 HB ILE 31 HB ILE 31 1.405 -6.983 0.636 227 HG12 ILE 31 1HG1 ILE 31 -0.212 -4.832 -0.751 228 HG13 ILE 31 2HG1 ILE 31 -0.919 -6.126 0.208 229 HG21 ILE 31 1HG2 ILE 31 2.237 -5.026 -1.533 230 HG22 ILE 31 2HG2 ILE 31 3.280 -6.076 -0.576 231 HG23 ILE 31 3HG2 ILE 31 2.484 -4.706 0.182 232 HD11 ILE 31 3HD1 ILE 31 -0.709 -4.167 1.621 233 HD12 ILE 31 1HD1 ILE 31 0.989 -3.987 1.181 234 HD13 ILE 31 2HD1 ILE 31 0.473 -5.363 2.144 235 H ASP 32 H ASP 32 2.198 -7.045 -3.512 236 HA ASP 32 HA ASP 32 3.950 -8.127 -4.547 237 HB2 ASP 32 1HB ASP 32 5.952 -8.099 -3.315 238 HB3 ASP 32 2HB ASP 32 4.965 -6.877 -2.531 239 H GLY 33 H GLY 33 1.727 -9.769 -3.246 240 HA2 GLY 33 1HA GLY 33 1.327 -12.062 -3.853 241 HA3 GLY 33 2HA GLY 33 3.032 -12.407 -3.605 242 H GLN 34 H GLN 34 2.332 -10.501 -1.084 243 HA GLN 34 HA GLN 34 2.004 -12.764 0.728 244 HB2 GLN 34 1HB GLN 34 2.531 -9.877 1.381 245 HB3 GLN 34 2HB GLN 34 2.625 -11.252 2.484 246 HG2 GLN 34 1HG GLN 34 4.288 -10.995 -0.036 247 HG3 GLN 34 2HG GLN 34 4.857 -10.555 1.569 248 HE21 GLN 34 2HE2 GLN 34 4.751 -12.419 3.245 249 HE22 GLN 34 1HE2 GLN 34 5.064 -13.988 2.676 250 HA PRO 35 HA PRO 35 -2.455 -11.620 0.865 251 HB2 PRO 35 1HB PRO 35 -2.479 -13.860 2.870 252 HB3 PRO 35 2HB PRO 35 -3.513 -13.624 1.444 253 HG2 PRO 35 1HG PRO 35 -1.575 -15.465 1.452 254 HG3 PRO 35 2HG PRO 35 -1.934 -14.514 -0.006 255 HD2 PRO 35 1HD PRO 35 0.333 -14.180 1.952 256 HD3 PRO 35 2HD PRO 35 0.309 -14.033 0.187 257 H ILE 36 H ILE 36 -3.341 -10.126 2.193 258 HA ILE 36 HA ILE 36 -2.108 -9.614 4.831 259 HB ILE 36 HB ILE 36 -3.954 -7.846 3.224 260 HG12 ILE 36 1HG1 ILE 36 -1.946 -8.219 1.920 261 HG13 ILE 36 2HG1 ILE 36 -1.843 -6.621 2.632 262 HG21 ILE 36 1HG2 ILE 36 -2.093 -7.293 5.556 263 HG22 ILE 36 2HG2 ILE 36 -3.856 -7.305 5.624 264 HG23 ILE 36 3HG2 ILE 36 -3.023 -6.077 4.686 265 HD11 ILE 36 3HD1 ILE 36 -0.517 -7.844 4.560 266 HD12 ILE 36 1HD1 ILE 36 0.301 -7.507 3.037 267 HD13 ILE 36 2HD1 ILE 36 -0.319 -9.116 3.356 268 H ASN 37 H ASN 37 -3.045 -10.373 6.478 269 HA ASN 37 HA ASN 37 -5.998 -10.710 6.603 270 HB2 ASN 37 1HB ASN 37 -5.580 -12.292 8.436 271 HB3 ASN 37 2HB ASN 37 -4.773 -12.782 6.950 272 HD21 ASN 37 2HD2 ASN 37 -3.453 -14.039 8.711 273 HD22 ASN 37 1HD2 ASN 37 -2.105 -13.230 9.354 274 H THR 38 H THR 38 -3.321 -9.035 8.043 275 HA THR 38 HA THR 38 -5.192 -7.656 9.895 276 HB THR 38 HB THR 38 -3.460 -7.660 11.641 277 HG1 THR 38 HG1 THR 38 -1.573 -8.621 11.329 278 HG21 THR 38 3HG2 THR 38 -3.625 -10.023 12.273 279 HG22 THR 38 1HG2 THR 38 -4.139 -10.433 10.637 280 HG23 THR 38 2HG2 THR 38 -5.167 -9.427 11.659 281 H SER 39 H SER 39 -4.550 -5.558 10.507 282 HA SER 39 HA SER 39 -3.276 -4.056 8.439 283 HB2 SER 39 1HB SER 39 -3.576 -2.148 9.983 284 HB3 SER 39 2HB SER 39 -5.056 -3.087 9.815 285 HG SER 39 HG SER 39 -4.954 -3.281 11.898 286 H GLU 40 H GLU 40 -2.291 -5.400 11.531 287 HA GLU 40 HA GLU 40 0.113 -3.989 11.891 288 HB2 GLU 40 1HB GLU 40 -1.053 -5.462 13.588 289 HB3 GLU 40 2HB GLU 40 -0.443 -6.857 12.700 290 HG2 GLU 40 1HG GLU 40 1.110 -6.439 14.478 291 HG3 GLU 40 2HG GLU 40 1.890 -5.899 12.998 292 H GLN 41 H GLN 41 -0.733 -6.742 9.884 293 HA GLN 41 HA GLN 41 1.886 -7.658 9.383 294 HB2 GLN 41 1HB GLN 41 -0.482 -8.673 8.766 295 HB3 GLN 41 2HB GLN 41 -0.260 -7.797 7.259 296 HG2 GLN 41 1HG GLN 41 1.708 -9.807 8.412 297 HG3 GLN 41 2HG GLN 41 0.564 -10.134 7.112 298 HE21 GLN 41 2HE2 GLN 41 3.755 -9.484 7.529 299 HE22 GLN 41 1HE2 GLN 41 4.075 -8.627 6.098 300 H ILE 42 H ILE 42 0.034 -4.949 8.090 301 HA ILE 42 HA ILE 42 1.713 -4.464 5.842 302 HB ILE 42 HB ILE 42 -0.153 -2.616 7.353 303 HG12 ILE 42 1HG1 ILE 42 -1.294 -4.644 6.502 304 HG13 ILE 42 2HG1 ILE 42 -1.793 -3.210 5.609 305 HG21 ILE 42 1HG2 ILE 42 1.331 -1.310 5.980 306 HG22 ILE 42 2HG2 ILE 42 -0.213 -1.413 5.135 307 HG23 ILE 42 3HG2 ILE 42 1.138 -2.426 4.627 308 HD11 ILE 42 3HD1 ILE 42 0.222 -3.960 3.992 309 HD12 ILE 42 1HD1 ILE 42 -1.384 -4.644 3.847 310 HD13 ILE 42 2HD1 ILE 42 -0.130 -5.523 4.708 311 H VAL 43 H VAL 43 1.802 -3.597 9.241 312 HA VAL 43 HA VAL 43 3.602 -1.426 9.028 313 HB VAL 43 HB VAL 43 3.104 -3.345 11.314 314 HG11 VAL 43 1HG1 VAL 43 5.166 -2.157 11.712 315 HG12 VAL 43 2HG1 VAL 43 3.919 -1.388 12.693 316 HG13 VAL 43 3HG1 VAL 43 4.446 -0.634 11.188 317 HG21 VAL 43 3HG2 VAL 43 1.892 -0.645 10.647 318 HG22 VAL 43 1HG2 VAL 43 1.586 -1.557 12.124 319 HG23 VAL 43 2HG2 VAL 43 1.060 -2.198 10.569 320 H SER 44 H SER 44 4.039 -4.922 9.557 321 HA SER 44 HA SER 44 6.860 -4.815 9.885 322 HB2 SER 44 1HB SER 44 5.517 -6.761 10.585 323 HB3 SER 44 2HB SER 44 5.114 -7.092 8.905 324 HG SER 44 HG SER 44 7.789 -6.866 9.788 325 H TYR 45 H TYR 45 4.742 -5.324 7.105 326 HA TYR 45 HA TYR 45 6.679 -5.930 5.174 327 HB2 TYR 45 1HB TYR 45 4.238 -6.152 4.847 328 HB3 TYR 45 2HB TYR 45 4.091 -4.399 4.801 329 HD1 TYR 45 HD1 TYR 45 6.091 -7.154 3.207 330 HD2 TYR 45 HD2 TYR 45 4.119 -3.370 2.669 331 HE1 TYR 45 HE1 TYR 45 6.622 -7.215 0.787 332 HE2 TYR 45 HE2 TYR 45 4.639 -3.442 0.265 333 HH TYR 45 HH TYR 45 6.908 -5.476 -1.074 334 H VAL 46 H VAL 46 5.208 -2.704 5.776 335 HA VAL 46 HA VAL 46 6.853 -1.226 4.099 336 HB VAL 46 HB VAL 46 5.532 -0.497 6.737 337 HG11 VAL 46 1HG1 VAL 46 7.064 1.237 4.792 338 HG12 VAL 46 2HG1 VAL 46 7.288 1.110 6.531 339 HG13 VAL 46 3HG1 VAL 46 5.854 1.904 5.885 340 HG21 VAL 46 3HG2 VAL 46 4.849 0.165 3.853 341 HG22 VAL 46 1HG2 VAL 46 3.908 0.624 5.272 342 HG23 VAL 46 2HG2 VAL 46 4.054 -1.076 4.821 343 H ARG 47 H ARG 47 7.427 -2.251 7.448 344 HA ARG 47 HA ARG 47 9.866 -0.847 7.799 345 HB2 ARG 47 1HB ARG 47 8.706 -3.291 9.147 346 HB3 ARG 47 2HB ARG 47 10.219 -2.551 9.660 347 HG2 ARG 47 1HG ARG 47 7.883 -0.667 9.368 348 HG3 ARG 47 2HG ARG 47 7.773 -1.816 10.696 349 HD2 ARG 47 1HD ARG 47 8.845 0.273 11.430 350 HD3 ARG 47 2HD ARG 47 9.979 -1.078 11.524 351 HE ARG 47 HE ARG 47 9.996 0.488 9.048 352 HH11 ARG 47 1HH2 ARG 47 11.434 -0.144 12.146 353 HH12 ARG 47 2HH2 ARG 47 12.948 0.588 11.728 354 HH21 ARG 47 1HH1 ARG 47 11.964 1.416 8.509 355 HH22 ARG 47 2HH1 ARG 47 13.247 1.470 9.672 356 H GLU 48 H GLU 48 9.075 -3.733 6.065 357 HA GLU 48 HA GLU 48 11.549 -5.087 6.192 358 HB2 GLU 48 1HB GLU 48 9.372 -5.989 5.225 359 HB3 GLU 48 2HB GLU 48 9.699 -5.023 3.791 360 HG2 GLU 48 1HG GLU 48 10.532 -7.225 3.340 361 HG3 GLU 48 2HG GLU 48 11.935 -6.196 3.611 362 H LYS 49 H LYS 49 10.279 -2.903 3.674 363 HA LYS 49 HA LYS 49 12.951 -2.561 2.531 364 HB2 LYS 49 1HB LYS 49 10.269 -1.480 1.648 365 HB3 LYS 49 2HB LYS 49 11.784 -1.309 0.783 366 HG2 LYS 49 1HG LYS 49 11.354 -3.313 -0.254 367 HG3 LYS 49 2HG LYS 49 11.617 -4.104 1.297 368 HD2 LYS 49 1HD LYS 49 9.217 -3.712 1.845 369 HD3 LYS 49 2HD LYS 49 8.996 -3.063 0.226 370 HE2 LYS 49 1HE LYS 49 8.345 -5.408 0.234 371 HE3 LYS 49 2HE LYS 49 9.811 -5.218 -0.720 372 HZ1 LYS 49 3HZ LYS 49 10.423 -5.650 2.018 373 HZ2 LYS 49 1HZ LYS 49 10.911 -6.538 0.658 374 HZ3 LYS 49 2HZ LYS 49 9.440 -6.901 1.423 375 H GLN 50 H GLN 50 12.724 0.027 1.545 376 HA GLN 50 HA GLN 50 12.489 1.786 3.899 377 HB2 GLN 50 1HB GLN 50 14.706 2.772 3.420 378 HB3 GLN 50 2HB GLN 50 14.821 1.077 3.883 379 HG2 GLN 50 1HG GLN 50 14.922 0.455 1.471 380 HG3 GLN 50 2HG GLN 50 14.908 2.168 1.056 381 HE21 GLN 50 2HE2 GLN 50 16.950 -0.464 1.983 382 HE22 GLN 50 1HE2 GLN 50 18.373 0.437 2.197 383 H ALA 51 H ALA 51 13.413 4.104 2.942 384 HA ALA 51 HA ALA 51 11.312 4.984 1.258 385 HB1 ALA 51 3HB ALA 51 13.880 6.261 2.223 386 HB2 ALA 51 1HB ALA 51 12.238 6.575 2.781 387 HB3 ALA 51 2HB ALA 51 12.749 7.120 1.182 388 H GLY 52 H GLY 52 11.205 5.238 -0.921 389 HA2 GLY 52 1HA GLY 52 12.062 5.610 -3.091 390 HA3 GLY 52 2HA GLY 52 13.648 5.061 -2.560 391 H ASP 53 H ASP 53 11.514 2.903 -1.262 392 HA ASP 53 HA ASP 53 12.181 0.864 -3.204 393 HB2 ASP 53 1HB ASP 53 12.128 0.457 -0.764 394 HB3 ASP 53 2HB ASP 53 10.391 0.693 -0.772 395 H ARG 54 H ARG 54 10.550 -0.584 -4.100 396 HA ARG 54 HA ARG 54 7.963 0.741 -4.758 397 HB2 ARG 54 1HB ARG 54 9.619 0.846 -6.644 398 HB3 ARG 54 2HB ARG 54 9.677 -0.914 -6.635 399 HG2 ARG 54 1HG ARG 54 7.243 -0.989 -7.066 400 HG3 ARG 54 2HG ARG 54 7.207 0.771 -7.101 401 HD2 ARG 54 1HD ARG 54 7.319 -0.029 -9.385 402 HD3 ARG 54 2HD ARG 54 8.872 0.698 -8.982 403 HE ARG 54 HE ARG 54 8.975 -2.055 -8.383 404 HH11 ARG 54 1HH2 ARG 54 8.748 0.119 -11.074 405 HH12 ARG 54 2HH2 ARG 54 9.554 -0.951 -12.175 406 HH21 ARG 54 1HH1 ARG 54 10.026 -3.451 -9.814 407 HH22 ARG 54 2HH1 ARG 54 10.278 -2.973 -11.460 408 H VAL 55 H VAL 55 6.352 -0.460 -4.124 409 HA VAL 55 HA VAL 55 6.625 -3.428 -4.007 410 HB VAL 55 HB VAL 55 5.016 -3.327 -2.070 411 HG11 VAL 55 1HG1 VAL 55 7.449 -3.646 -1.769 412 HG12 VAL 55 2HG1 VAL 55 6.766 -2.696 -0.450 413 HG13 VAL 55 3HG1 VAL 55 7.670 -1.898 -1.732 414 HG21 VAL 55 3HG2 VAL 55 4.850 -1.175 -0.876 415 HG22 VAL 55 1HG2 VAL 55 4.157 -1.051 -2.491 416 HG23 VAL 55 2HG2 VAL 55 5.758 -0.386 -2.166 417 H ARG 56 H ARG 56 5.203 -4.569 -4.940 418 HA ARG 56 HA ARG 56 3.060 -3.367 -6.540 419 HB2 ARG 56 1HB ARG 56 3.713 -6.317 -6.248 420 HB3 ARG 56 2HB ARG 56 2.863 -5.522 -7.571 421 HG2 ARG 56 1HG ARG 56 5.785 -5.120 -6.837 422 HG3 ARG 56 2HG ARG 56 5.186 -6.043 -8.212 423 HD2 ARG 56 1HD ARG 56 5.039 -3.055 -7.767 424 HD3 ARG 56 2HD ARG 56 5.758 -3.919 -9.120 425 HE ARG 56 HE ARG 56 2.970 -3.242 -8.791 426 HH11 ARG 56 1HH2 ARG 56 5.238 -5.442 -10.210 427 HH12 ARG 56 2HH2 ARG 56 4.185 -5.899 -11.509 428 HH21 ARG 56 1HH1 ARG 56 1.591 -3.838 -10.474 429 HH22 ARG 56 2HH1 ARG 56 2.116 -4.989 -11.657 430 H VAL 57 H VAL 57 1.171 -2.971 -5.670 431 HA VAL 57 HA VAL 57 0.208 -4.650 -3.405 432 HB VAL 57 HB VAL 57 -0.503 -1.837 -4.261 433 HG11 VAL 57 1HG1 VAL 57 -1.712 -3.668 -2.163 434 HG12 VAL 57 2HG1 VAL 57 -2.545 -2.759 -3.419 435 HG13 VAL 57 3HG1 VAL 57 -1.839 -1.914 -2.045 436 HG21 VAL 57 3HG2 VAL 57 1.657 -2.086 -3.091 437 HG22 VAL 57 1HG2 VAL 57 0.856 -2.969 -1.790 438 HG23 VAL 57 2HG2 VAL 57 0.483 -1.266 -2.060 439 H THR 58 H THR 58 -1.531 -5.905 -3.620 440 HA THR 58 HA THR 58 -3.062 -5.813 -6.159 441 HB THR 58 HB THR 58 -3.034 -7.977 -4.033 442 HG1 THR 58 HG1 THR 58 -1.348 -7.399 -6.172 443 HG21 THR 58 3HG2 THR 58 -3.920 -7.928 -6.927 444 HG22 THR 58 1HG2 THR 58 -4.985 -7.991 -5.523 445 HG23 THR 58 2HG2 THR 58 -3.921 -9.350 -5.886 446 H PHE 59 H PHE 59 -5.186 -5.250 -6.174 447 HA PHE 59 HA PHE 59 -6.748 -5.328 -3.682 448 HB2 PHE 59 1HB PHE 59 -7.379 -3.031 -3.720 449 HB3 PHE 59 2HB PHE 59 -5.629 -3.039 -3.854 450 HD1 PHE 59 HD1 PHE 59 -8.805 -2.513 -5.687 451 HD2 PHE 59 HD2 PHE 59 -4.514 -2.360 -5.942 452 HE1 PHE 59 HE1 PHE 59 -8.975 -1.234 -7.785 453 HE2 PHE 59 HE2 PHE 59 -4.698 -1.085 -8.056 454 HZ PHE 59 HZ PHE 59 -6.924 -0.510 -8.975 455 H ILE 60 H ILE 60 -9.071 -5.308 -4.062 456 HA ILE 60 HA ILE 60 -9.812 -5.879 -6.854 457 HB ILE 60 HB ILE 60 -10.655 -7.003 -4.198 458 HG12 ILE 60 1HG1 ILE 60 -10.575 -9.113 -5.453 459 HG13 ILE 60 2HG1 ILE 60 -10.348 -8.228 -6.963 460 HG21 ILE 60 1HG2 ILE 60 -12.716 -7.976 -5.403 461 HG22 ILE 60 2HG2 ILE 60 -12.464 -6.716 -6.613 462 HG23 ILE 60 3HG2 ILE 60 -12.817 -6.278 -4.943 463 HD11 ILE 60 3HD1 ILE 60 -8.395 -7.778 -4.710 464 HD12 ILE 60 1HD1 ILE 60 -8.152 -7.646 -6.452 465 HD13 ILE 60 2HD1 ILE 60 -8.258 -9.233 -5.697 466 H ARG 61 H ARG 61 -11.440 -4.877 -7.812 467 HA ARG 61 HA ARG 61 -13.136 -3.020 -6.311 468 HB2 ARG 61 1HB ARG 61 -11.254 -1.650 -7.020 469 HB3 ARG 61 2HB ARG 61 -11.410 -2.232 -8.671 470 HG2 ARG 61 1HG ARG 61 -13.605 -1.189 -8.880 471 HG3 ARG 61 2HG ARG 61 -13.588 -0.743 -7.177 472 HD2 ARG 61 1HD ARG 61 -11.641 0.714 -7.583 473 HD3 ARG 61 2HD ARG 61 -11.661 0.259 -9.289 474 HE ARG 61 HE ARG 61 -14.198 1.261 -8.401 475 HH11 ARG 61 1HH2 ARG 61 -11.019 2.171 -9.455 476 HH12 ARG 61 2HH2 ARG 61 -11.529 3.713 -10.060 477 HH21 ARG 61 1HH1 ARG 61 -14.853 3.254 -9.190 478 HH22 ARG 61 2HH1 ARG 61 -13.699 4.325 -9.912 479 H ASP 62 H ASP 62 -15.123 -3.400 -6.855 480 HA ASP 62 HA ASP 62 -17.015 -4.160 -7.982 481 HB2 ASP 62 1HB ASP 62 -15.432 -2.928 -10.249 482 HB3 ASP 62 2HB ASP 62 -17.092 -3.487 -10.429 483 H ARG 63 H ARG 63 -15.089 -6.180 -7.519 484 HA ARG 63 HA ARG 63 -14.718 -8.343 -8.040 485 HB2 ARG 63 1HB ARG 63 -16.633 -7.898 -10.335 486 HB3 ARG 63 2HB ARG 63 -16.065 -9.444 -9.745 487 HG2 ARG 63 1HG ARG 63 -17.110 -9.069 -7.584 488 HG3 ARG 63 2HG ARG 63 -17.600 -7.445 -8.069 489 HD2 ARG 63 1HD ARG 63 -19.499 -8.944 -8.335 490 HD3 ARG 63 2HD ARG 63 -18.934 -8.455 -9.932 491 HE ARG 63 HE ARG 63 -17.656 -10.864 -9.113 492 HH11 ARG 63 1HH2 ARG 63 -20.660 -9.559 -10.244 493 HH12 ARG 63 2HH2 ARG 63 -21.169 -11.035 -10.997 494 HH21 ARG 63 1HH1 ARG 63 -18.318 -12.790 -10.099 495 HH22 ARG 63 2HH1 ARG 63 -19.844 -12.862 -10.916 496 H LYS 64 H LYS 64 -13.438 -5.885 -9.496 497 HA LYS 64 HA LYS 64 -12.024 -7.429 -11.611 498 HB2 LYS 64 1HB LYS 64 -12.193 -4.412 -11.366 499 HB3 LYS 64 2HB LYS 64 -11.555 -5.346 -12.715 500 HG2 LYS 64 1HG LYS 64 -13.878 -6.354 -12.975 501 HG3 LYS 64 2HG LYS 64 -14.434 -5.158 -11.810 502 HD2 LYS 64 1HD LYS 64 -13.076 -4.546 -14.444 503 HD3 LYS 64 2HD LYS 64 -14.795 -4.374 -14.110 504 HE2 LYS 64 1HE LYS 64 -14.012 -2.175 -13.788 505 HE3 LYS 64 2HE LYS 64 -13.983 -2.806 -12.143 506 HZ1 LYS 64 3HZ LYS 64 -11.857 -2.187 -12.163 507 HZ2 LYS 64 1HZ LYS 64 -11.811 -2.024 -13.851 508 HZ3 LYS 64 2HZ LYS 64 -11.577 -3.548 -13.139 509 H GLN 65 H GLN 65 -10.204 -8.202 -10.751 510 HA GLN 65 HA GLN 65 -8.793 -6.915 -8.617 511 HB2 GLN 65 1HB GLN 65 -7.197 -8.766 -8.853 512 HB3 GLN 65 2HB GLN 65 -8.859 -9.350 -8.771 513 HG2 GLN 65 1HG GLN 65 -8.871 -9.392 -11.305 514 HG3 GLN 65 2HG GLN 65 -7.145 -9.045 -11.250 515 HE21 GLN 65 2HE2 GLN 65 -7.287 -11.315 -12.431 516 HE22 GLN 65 1HE2 GLN 65 -7.145 -12.666 -11.412 517 H HIS 66 H HIS 66 -7.143 -5.551 -8.703 518 HA HIS 66 HA HIS 66 -5.499 -5.310 -11.137 519 HB2 HIS 66 1HB HIS 66 -6.988 -2.983 -9.905 520 HB3 HIS 66 2HB HIS 66 -5.739 -2.841 -11.137 521 HD1 HIS 66 HD1 HIS 66 -6.295 -4.037 -13.490 522 HD2 HIS 66 HD2 HIS 66 -9.496 -3.565 -10.881 523 HE1 HIS 66 HE1 HIS 66 -8.391 -4.358 -14.876 524 HE2 HIS 66 HE2 HIS 66 -10.360 -4.072 -13.298 525 H GLU 67 H GLU 67 -3.472 -4.585 -10.778 526 HA GLU 67 HA GLU 67 -2.503 -4.539 -8.043 527 HB2 GLU 67 1HB GLU 67 -1.052 -4.571 -10.694 528 HB3 GLU 67 2HB GLU 67 -0.260 -4.602 -9.120 529 HG2 GLU 67 1HG GLU 67 -0.414 -6.882 -9.855 530 HG3 GLU 67 2HG GLU 67 -1.614 -6.681 -8.582 531 H ALA 68 H ALA 68 -1.664 -2.826 -7.052 532 HA ALA 68 HA ALA 68 -1.720 -0.189 -8.417 533 HB1 ALA 68 3HB ALA 68 -3.207 0.074 -6.637 534 HB2 ALA 68 1HB ALA 68 -1.709 0.545 -5.834 535 HB3 ALA 68 2HB ALA 68 -2.356 -1.080 -5.620 536 H GLU 69 H GLU 69 0.134 0.631 -8.875 537 HA GLU 69 HA GLU 69 2.637 -0.358 -7.771 538 HB2 GLU 69 1HB GLU 69 2.026 1.848 -9.764 539 HB3 GLU 69 2HB GLU 69 3.657 1.367 -9.294 540 HG2 GLU 69 1HG GLU 69 3.243 -0.912 -10.091 541 HG3 GLU 69 2HG GLU 69 1.586 -0.482 -10.509 542 H LEU 70 H LEU 70 2.904 0.233 -5.695 543 HA LEU 70 HA LEU 70 2.646 3.102 -4.950 544 HB2 LEU 70 1HB LEU 70 1.216 1.610 -3.696 545 HB3 LEU 70 2HB LEU 70 2.595 0.624 -3.241 546 HG LEU 70 HG LEU 70 2.951 3.512 -2.585 547 HD11 LEU 70 1HD1 LEU 70 0.565 3.395 -2.134 548 HD12 LEU 70 2HD1 LEU 70 1.453 3.446 -0.610 549 HD13 LEU 70 3HD1 LEU 70 0.784 1.920 -1.193 550 HD21 LEU 70 3HD2 LEU 70 4.409 1.591 -1.840 551 HD22 LEU 70 1HD2 LEU 70 3.088 1.060 -0.806 552 HD23 LEU 70 2HD2 LEU 70 3.850 2.629 -0.531 553 H VAL 71 H VAL 71 4.317 4.177 -4.065 554 HA VAL 71 HA VAL 71 6.936 2.777 -3.858 555 HB VAL 71 HB VAL 71 6.498 5.677 -4.625 556 HG11 VAL 71 1HG1 VAL 71 8.934 3.889 -4.897 557 HG12 VAL 71 2HG1 VAL 71 8.705 5.028 -3.572 558 HG13 VAL 71 3HG1 VAL 71 8.851 5.617 -5.224 559 HG21 VAL 71 3HG2 VAL 71 7.061 3.252 -6.362 560 HG22 VAL 71 1HG2 VAL 71 7.092 4.923 -6.920 561 HG23 VAL 71 2HG2 VAL 71 5.578 4.208 -6.367 562 H LEU 72 H LEU 72 7.984 2.946 -2.004 563 HA LEU 72 HA LEU 72 6.771 4.064 0.291 564 HB2 LEU 72 1HB LEU 72 9.508 2.923 -0.291 565 HB3 LEU 72 2HB LEU 72 9.122 3.567 1.298 566 HG LEU 72 HG LEU 72 8.765 1.102 1.154 567 HD11 LEU 72 1HD1 LEU 72 6.862 1.094 2.460 568 HD12 LEU 72 2HD1 LEU 72 5.984 2.224 1.444 569 HD13 LEU 72 3HD1 LEU 72 7.239 2.812 2.538 570 HD21 LEU 72 3HD2 LEU 72 7.128 0.139 -0.283 571 HD22 LEU 72 1HD2 LEU 72 8.041 1.236 -1.317 572 HD23 LEU 72 2HD2 LEU 72 6.456 1.706 -0.705 573 H LYS 73 H LYS 73 6.681 6.087 0.957 574 HA LYS 73 HA LYS 73 8.885 7.900 0.248 575 HB2 LYS 73 1HB LYS 73 6.930 8.256 -1.213 576 HB3 LYS 73 2HB LYS 73 5.967 8.634 0.215 577 HG2 LYS 73 1HG LYS 73 7.443 10.513 0.753 578 HG3 LYS 73 2HG LYS 73 8.499 10.100 -0.598 579 HD2 LYS 73 1HD LYS 73 6.642 10.493 -2.175 580 HD3 LYS 73 2HD LYS 73 5.590 10.920 -0.826 581 HE2 LYS 73 1HE LYS 73 8.167 12.361 -1.522 582 HE3 LYS 73 2HE LYS 73 6.552 12.925 -1.955 583 HZ1 LYS 73 3HZ LYS 73 7.052 14.020 0.021 584 HZ2 LYS 73 1HZ LYS 73 7.741 12.644 0.734 585 HZ3 LYS 73 2HZ LYS 73 6.058 12.734 0.515 586 HA PRO 74 HA PRO 74 8.513 8.510 4.739 587 HB2 PRO 74 1HB PRO 74 10.673 10.114 5.108 588 HB3 PRO 74 2HB PRO 74 10.847 8.389 4.754 589 HG2 PRO 74 1HG PRO 74 11.110 10.737 2.909 590 HG3 PRO 74 2HG PRO 74 12.111 9.274 3.016 591 HD2 PRO 74 1HD PRO 74 10.119 9.616 1.138 592 HD3 PRO 74 2HD PRO 74 10.646 8.025 1.732 593 H PHE 75 H PHE 75 8.796 10.572 6.212 594 HA PHE 75 HA PHE 75 7.181 12.740 4.997 595 HB2 PHE 75 1HB PHE 75 7.072 11.617 7.798 596 HB3 PHE 75 2HB PHE 75 6.257 13.097 7.300 597 HD1 PHE 75 HD2 PHE 75 4.490 13.043 5.531 598 HD2 PHE 75 HD1 PHE 75 6.214 9.451 7.138 599 HE1 PHE 75 HE2 PHE 75 2.605 11.723 4.604 600 HE2 PHE 75 HE1 PHE 75 4.328 8.140 6.210 601 HZ PHE 75 HZ PHE 75 2.526 9.269 4.949 602 HA PRO 76 HA PRO 76 10.494 15.466 6.185 603 HB2 PRO 76 1HB PRO 76 9.132 17.878 6.321 604 HB3 PRO 76 2HB PRO 76 9.577 17.091 4.793 605 HG2 PRO 76 1HG PRO 76 6.941 17.097 6.218 606 HG3 PRO 76 2HG PRO 76 7.280 17.219 4.481 607 HD2 PRO 76 1HD PRO 76 6.465 14.885 5.666 608 HD3 PRO 76 2HD PRO 76 7.512 14.920 4.225 609 H HIS 77 H HIS 77 7.473 15.619 8.031 610 HA HIS 77 HA HIS 77 8.593 16.933 10.312 611 HB2 HIS 77 1HB HIS 77 6.098 15.236 10.035 612 HB3 HIS 77 2HB HIS 77 6.504 16.224 11.439 613 HD1 HIS 77 HD1 HIS 77 7.481 18.791 10.184 614 HD2 HIS 77 HD2 HIS 77 4.162 16.730 8.728 615 HE1 HIS 77 HE1 HIS 77 6.098 20.477 8.896 616 HE2 HIS 77 HE2 HIS 77 4.071 19.236 8.003 617 H HIS 78 H HIS 78 8.045 13.581 9.387 618 HA HIS 78 HA HIS 78 9.898 12.687 11.518 619 HB2 HIS 78 1HB HIS 78 7.173 11.489 10.959 620 HB3 HIS 78 2HB HIS 78 8.383 10.812 12.051 621 HD1 HIS 78 HD1 HIS 78 9.360 13.368 13.449 622 HD2 HIS 78 HD2 HIS 78 5.330 12.537 12.773 623 HE1 HIS 78 HE1 HIS 78 8.055 14.721 15.146 624 HE2 HIS 78 HE2 HIS 78 5.597 14.226 14.747 625 HA PRO 79 HA PRO 79 10.833 10.940 7.277 626 HB2 PRO 79 1HB PRO 79 13.614 11.281 8.346 627 HB3 PRO 79 2HB PRO 79 12.965 11.725 6.754 628 HG2 PRO 79 1HG PRO 79 13.490 13.587 8.611 629 HG3 PRO 79 2HG PRO 79 12.095 13.736 7.524 630 HD2 PRO 79 1HD PRO 79 12.143 12.905 10.421 631 HD3 PRO 79 2HD PRO 79 10.943 13.890 9.555 632 H ASN 80 H ASN 80 11.713 10.216 10.527 633 HA ASN 80 HA ASN 80 13.056 7.773 10.221 634 HB2 ASN 80 1HB ASN 80 11.190 8.601 12.459 635 HB3 ASN 80 2HB ASN 80 12.386 7.309 12.534 636 HD21 ASN 80 2HD2 ASN 80 11.988 10.350 13.632 637 HD22 ASN 80 1HD2 ASN 80 13.586 10.919 13.561 638 H GLN 81 H GLN 81 9.756 8.577 9.604 639 HA GLN 81 HA GLN 81 8.969 5.733 9.619 640 HB2 GLN 81 1HB GLN 81 7.664 7.290 11.108 641 HB3 GLN 81 2HB GLN 81 7.179 8.177 9.663 642 HG2 GLN 81 1HG GLN 81 5.423 6.591 10.226 643 HG3 GLN 81 2HG GLN 81 6.208 6.040 8.753 644 HE21 GLN 81 2HE2 GLN 81 5.912 3.769 9.020 645 HE22 GLN 81 1HE2 GLN 81 6.572 2.896 10.319 646 H ILE 82 H ILE 82 7.952 4.904 7.843 647 HA ILE 82 HA ILE 82 8.517 6.298 5.329 648 HB ILE 82 HB ILE 82 7.408 3.556 5.157 649 HG12 ILE 82 1HG1 ILE 82 8.589 3.277 7.280 650 HG13 ILE 82 2HG1 ILE 82 9.491 2.481 5.998 651 HG21 ILE 82 1HG2 ILE 82 8.474 4.755 3.281 652 HG22 ILE 82 2HG2 ILE 82 9.329 3.260 3.668 653 HG23 ILE 82 3HG2 ILE 82 9.985 4.817 4.186 654 HD11 ILE 82 3HD1 ILE 82 10.534 5.112 6.056 655 HD12 ILE 82 1HD1 ILE 82 11.297 3.654 6.690 656 HD13 ILE 82 2HD1 ILE 82 10.316 4.664 7.746 657 H GLY 83 H GLY 83 6.816 5.571 3.538 658 HA2 GLY 83 1HA GLY 83 4.470 7.061 4.065 659 HA3 GLY 83 2HA GLY 83 4.754 6.059 2.648 660 H LEU 84 H LEU 84 2.554 6.499 4.887 661 HA LEU 84 HA LEU 84 2.065 3.677 5.616 662 HB2 LEU 84 1HB LEU 84 0.456 6.107 6.439 663 HB3 LEU 84 2HB LEU 84 0.488 4.516 7.198 664 HG LEU 84 HG LEU 84 2.802 6.481 7.089 665 HD11 LEU 84 1HD1 LEU 84 1.132 5.506 9.424 666 HD12 LEU 84 2HD1 LEU 84 0.959 7.081 8.650 667 HD13 LEU 84 3HD1 LEU 84 2.452 6.673 9.498 668 HD21 LEU 84 3HD2 LEU 84 2.558 3.657 8.179 669 HD22 LEU 84 1HD2 LEU 84 3.792 4.778 8.760 670 HD23 LEU 84 2HD2 LEU 84 3.774 4.296 7.070 671 H GLY 85 H GLY 85 1.087 6.053 3.337 672 HA2 GLY 85 1HA GLY 85 -0.386 5.930 1.574 673 HA3 GLY 85 2HA GLY 85 -0.590 4.223 1.946 674 H VAL 86 H VAL 86 -2.310 3.557 3.224 675 HA VAL 86 HA VAL 86 -4.448 5.576 3.696 676 HB VAL 86 HB VAL 86 -5.987 3.666 3.567 677 HG11 VAL 86 1HG1 VAL 86 -5.565 3.140 1.123 678 HG12 VAL 86 2HG1 VAL 86 -4.025 3.982 1.271 679 HG13 VAL 86 3HG1 VAL 86 -5.535 4.858 1.510 680 HG21 VAL 86 3HG2 VAL 86 -5.092 1.476 2.764 681 HG22 VAL 86 1HG2 VAL 86 -4.521 1.883 4.382 682 HG23 VAL 86 2HG2 VAL 86 -3.457 2.091 2.990 683 H THR 87 H THR 87 -5.998 4.860 5.503 684 HA THR 87 HA THR 87 -4.474 4.770 7.934 685 HB THR 87 HB THR 87 -7.474 4.642 7.569 686 HG1 THR 87 HG1 THR 87 -6.633 7.033 8.269 687 HG21 THR 87 3HG2 THR 87 -7.464 5.672 9.830 688 HG22 THR 87 1HG2 THR 87 -5.708 5.528 9.869 689 HG23 THR 87 2HG2 THR 87 -6.711 4.078 9.833
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