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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
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5262 |
1gxg ![]() ![]() |
cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 H1 MET 1 1H MET 1 5.212 1.937 -10.859 2 H2 MET 1 2H MET 1 5.170 2.197 -9.262 3 H3 MET 1 3H MET 1 5.435 3.468 -10.259 4 HA MET 1 HA MET 1 7.520 2.800 -10.876 5 1HB MET 1 1HB MET 1 6.938 3.621 -8.334 6 2HB MET 1 2HB MET 1 7.785 2.135 -7.980 7 1HG MET 1 1HG MET 1 8.824 4.441 -9.688 8 2HG MET 1 2HG MET 1 9.254 4.116 -8.020 9 1HE MET 1 1HE MET 1 9.549 2.928 -11.758 10 2HE MET 1 2HE MET 1 10.726 4.188 -11.345 11 3HE MET 1 3HE MET 1 11.283 2.550 -11.758 12 QB MET 1 QB MET 1 7.362 2.878 -8.157 13 QG MET 1 QG MET 1 9.039 4.279 -8.854 14 ME MET 1 QE MET 1 10.519 3.222 -11.620 15 H GLU 2 H GLU 2 9.166 1.167 -11.102 16 HA GLU 2 HA GLU 2 8.184 -1.526 -11.195 17 1HB GLU 2 1HB GLU 2 10.903 -0.295 -11.893 18 2HB GLU 2 2HB GLU 2 10.366 -1.900 -12.404 19 1HG GLU 2 1HG GLU 2 8.684 -0.959 -13.871 20 2HG GLU 2 2HG GLU 2 8.998 0.678 -13.281 21 QB GLU 2 QB GLU 2 10.635 -1.097 -12.149 22 QG GLU 2 QG GLU 2 8.841 -0.140 -13.576 23 H LEU 3 H LEU 3 8.418 -0.676 -8.629 24 HA LEU 3 HA LEU 3 10.626 -1.514 -7.382 25 1HB LEU 3 1HB LEU 3 7.920 -0.755 -6.399 26 2HB LEU 3 2HB LEU 3 9.077 -1.361 -5.224 27 HG LEU 3 HG LEU 3 9.609 0.995 -7.066 28 1HD1 LEU 3 1HD1 LEU 3 7.689 1.448 -5.562 29 2HD1 LEU 3 2HD1 LEU 3 8.671 0.990 -4.159 30 3HD1 LEU 3 3HD1 LEU 3 9.098 2.422 -5.127 31 1HD2 LEU 3 1HD2 LEU 3 11.018 0.040 -4.527 32 2HD2 LEU 3 2HD2 LEU 3 11.675 -0.036 -6.182 33 3HD2 LEU 3 3HD2 LEU 3 11.388 1.528 -5.425 34 MD1 LEU 3 QD1 LEU 3 8.486 1.620 -4.949 35 MD2 LEU 3 QD2 LEU 3 11.360 0.511 -5.378 36 QB LEU 3 QB LEU 3 8.499 -1.058 -5.812 37 QD LEU 3 QQD LEU 3 9.923 1.065 -5.164 38 H LYS 4 H LYS 4 10.008 -3.139 -5.223 39 HA LYS 4 HA LYS 4 10.360 -5.808 -5.897 40 1HB LYS 4 1HB LYS 4 8.506 -5.115 -3.667 41 2HB LYS 4 2HB LYS 4 9.600 -6.449 -3.813 42 1HG LYS 4 1HG LYS 4 11.461 -5.240 -3.129 43 2HG LYS 4 2HG LYS 4 10.744 -3.664 -3.516 44 1HD LYS 4 1HD LYS 4 9.302 -3.665 -1.700 45 2HD LYS 4 2HD LYS 4 9.353 -5.412 -1.471 46 1HE LYS 4 1HE LYS 4 11.875 -3.806 -1.073 47 2HE LYS 4 2HE LYS 4 10.609 -3.748 0.155 48 1HZ LYS 4 1HZ LYS 4 11.845 -6.270 -0.783 49 2HZ LYS 4 2HZ LYS 4 12.133 -5.413 0.675 50 3HZ LYS 4 3HZ LYS 4 10.707 -6.107 0.379 51 QB LYS 4 QB LYS 4 9.053 -5.782 -3.740 52 QD LYS 4 QD LYS 4 9.328 -4.538 -1.586 53 QG LYS 4 QG LYS 4 11.103 -4.452 -3.323 54 QE LYS 4 QE LYS 4 11.242 -3.777 -0.459 55 QZ LYS 4 QZ LYS 4 11.562 -5.930 0.090 56 H ASN 5 H ASN 5 9.392 -7.173 -7.102 57 HA ASN 5 HA ASN 5 7.026 -6.269 -8.378 58 1HB ASN 5 1HB ASN 5 8.349 -8.994 -8.674 59 2HB ASN 5 2HB ASN 5 7.242 -8.229 -9.802 60 1HD2 ASN 5 2HD2 ASN 5 8.859 -5.434 -9.352 61 2HD2 ASN 5 1HD2 ASN 5 10.170 -5.761 -10.428 62 QB ASN 5 QB ASN 5 7.796 -8.611 -9.238 63 QD ASN 5 QD2 ASN 5 9.515 -5.597 -9.890 64 H SER 6 H SER 6 7.133 -7.844 -5.347 65 HA SER 6 HA SER 6 4.280 -8.335 -5.714 66 1HB SER 6 1HB SER 6 6.080 -10.450 -4.524 67 2HB SER 6 2HB SER 6 4.365 -10.474 -4.774 68 HG SER 6 HG SER 6 5.273 -10.044 -7.145 69 QB SER 6 QB SER 6 5.223 -10.462 -4.649 70 H ILE 7 H ILE 7 3.130 -8.352 -3.789 71 HA ILE 7 HA ILE 7 3.950 -6.912 -1.581 72 HB ILE 7 HB ILE 7 1.721 -8.658 -2.412 73 1HG1 ILE 7 1HG1 ILE 7 1.698 -6.172 -2.441 74 2HG1 ILE 7 2HG1 ILE 7 0.374 -6.961 -1.608 75 1HG2 ILE 7 1HG2 ILE 7 2.162 -8.437 0.550 76 2HG2 ILE 7 2HG2 ILE 7 0.618 -8.845 -0.230 77 3HG2 ILE 7 3HG2 ILE 7 2.002 -9.919 -0.433 78 1HD1 ILE 7 1HD1 ILE 7 2.723 -5.605 -0.262 79 2HD1 ILE 7 2HD1 ILE 7 1.132 -4.881 -0.533 80 3HD1 ILE 7 3HD1 ILE 7 1.267 -6.290 0.528 81 MG ILE 7 QG2 ILE 7 1.594 -9.067 -0.038 82 MD ILE 7 QD1 ILE 7 1.707 -5.592 -0.089 83 QG ILE 7 QG1 ILE 7 1.036 -6.566 -2.025 84 H SER 8 H SER 8 4.283 -10.464 -2.111 85 HA SER 8 HA SER 8 5.084 -10.808 0.665 86 1HB SER 8 1HB SER 8 4.004 -12.580 -0.806 87 2HB SER 8 2HB SER 8 5.539 -12.705 -1.690 88 HG SER 8 HG SER 8 6.390 -13.021 0.588 89 QB SER 8 QB SER 8 4.772 -12.642 -1.248 90 H ASP 9 H ASP 9 6.868 -9.379 -1.925 91 HA ASP 9 HA ASP 9 9.337 -10.097 -0.490 92 1HB ASP 9 1HB ASP 9 9.605 -9.939 -2.949 93 2HB ASP 9 2HB ASP 9 9.168 -8.239 -2.828 94 QB ASP 9 QB ASP 9 9.387 -9.089 -2.889 95 H TYR 10 H TYR 10 6.771 -7.677 -0.588 96 HA TYR 10 HA TYR 10 8.282 -5.636 0.809 97 1HB TYR 10 1HB TYR 10 5.355 -6.120 0.120 98 2HB TYR 10 2HB TYR 10 5.811 -5.050 1.386 99 HD1 TYR 10 HD1 TYR 10 6.115 -5.638 -2.348 100 HD2 TYR 10 HD2 TYR 10 6.560 -2.912 0.957 101 HE1 TYR 10 HE1 TYR 10 6.698 -3.831 -3.893 102 HE2 TYR 10 HE2 TYR 10 7.014 -1.054 -0.639 103 HH TYR 10 HH TYR 10 6.776 -1.459 -4.058 104 QB TYR 10 QB TYR 10 5.583 -5.585 0.753 105 QD TYR 10 QD TYR 10 6.338 -4.275 -0.696 106 QE TYR 10 QE TYR 10 6.856 -2.442 -2.266 107 QR TYR 10 QR TYR 10 6.597 -3.359 -1.481 108 H THR 11 H THR 11 7.588 -5.211 3.029 109 HA THR 11 HA THR 11 6.888 -7.291 4.852 110 HB THR 11 HB THR 11 8.251 -5.879 6.471 111 HG1 THR 11 HG1 THR 11 9.455 -4.827 4.158 112 1HG2 THR 11 1HG2 THR 11 9.781 -7.120 4.153 113 2HG2 THR 11 2HG2 THR 11 10.587 -6.394 5.556 114 3HG2 THR 11 3HG2 THR 11 9.487 -7.758 5.800 115 MG THR 11 QG2 THR 11 9.952 -7.091 5.170 116 H GLU 12 H GLU 12 5.855 -6.176 6.539 117 HA GLU 12 HA GLU 12 3.827 -4.320 5.535 118 1HB GLU 12 1HB GLU 12 2.872 -4.211 7.668 119 2HB GLU 12 2HB GLU 12 3.501 -5.832 7.486 120 1HG GLU 12 1HG GLU 12 4.174 -5.419 9.610 121 2HG GLU 12 2HG GLU 12 5.618 -4.886 8.749 122 QB GLU 12 QB GLU 12 3.187 -5.021 7.577 123 QG GLU 12 QG GLU 12 4.896 -5.152 9.179 124 H THR 13 H THR 13 6.936 -3.697 7.204 125 HA THR 13 HA THR 13 6.307 -0.952 7.544 126 HB THR 13 HB THR 13 9.124 -2.077 7.704 127 HG1 THR 13 HG1 THR 13 6.933 -2.732 9.379 128 1HG2 THR 13 1HG2 THR 13 8.690 0.272 8.398 129 2HG2 THR 13 2HG2 THR 13 7.496 -0.307 9.582 130 3HG2 THR 13 3HG2 THR 13 9.211 -0.738 9.762 131 MG THR 13 QG2 THR 13 8.466 -0.258 9.247 132 H GLU 14 H GLU 14 8.364 -2.750 5.044 133 HA GLU 14 HA GLU 14 9.328 -0.409 3.747 134 1HB GLU 14 1HB GLU 14 8.558 -3.179 2.733 135 2HB GLU 14 2HB GLU 14 9.404 -1.974 1.758 136 1HG GLU 14 1HG GLU 14 11.285 -1.951 3.239 137 2HG GLU 14 2HG GLU 14 10.543 -2.942 4.422 138 QB GLU 14 QB GLU 14 8.981 -2.576 2.245 139 QG GLU 14 QG GLU 14 10.914 -2.446 3.830 140 H PHE 15 H PHE 15 6.232 -2.264 3.520 141 HA PHE 15 HA PHE 15 5.251 -0.658 1.366 142 1HB PHE 15 1HB PHE 15 4.399 -2.961 2.251 143 2HB PHE 15 2HB PHE 15 3.458 -2.010 3.391 144 HD1 PHE 15 HD1 PHE 15 4.319 -1.834 -0.322 145 HD2 PHE 15 HD2 PHE 15 1.211 -1.734 2.665 146 HE1 PHE 15 HE1 PHE 15 2.616 -1.726 -2.084 147 HE2 PHE 15 HE2 PHE 15 -0.480 -1.676 0.876 148 HZ PHE 15 HZ PHE 15 0.215 -1.861 -1.509 149 QB PHE 15 QB PHE 15 3.929 -2.485 2.821 150 QD PHE 15 QD PHE 15 2.765 -1.784 1.171 151 QE PHE 15 QE PHE 15 1.068 -1.701 -0.604 152 QR PHE 15 QR PHE 15 1.576 -1.766 -0.075 153 H LYS 16 H LYS 16 5.090 -0.287 4.977 154 HA LYS 16 HA LYS 16 3.505 2.113 5.051 155 1HB LYS 16 1HB LYS 16 5.198 0.493 6.755 156 2HB LYS 16 2HB LYS 16 6.030 1.998 6.690 157 1HG LYS 16 1HG LYS 16 4.667 2.103 8.631 158 2HG LYS 16 2HG LYS 16 3.767 3.048 7.426 159 1HD LYS 16 1HD LYS 16 2.152 1.572 8.311 160 2HD LYS 16 2HD LYS 16 2.637 0.835 6.795 161 1HE LYS 16 1HE LYS 16 2.402 -0.915 8.324 162 2HE LYS 16 2HE LYS 16 4.122 -0.744 8.029 163 1HZ LYS 16 1HZ LYS 16 2.670 0.246 10.421 164 2HZ LYS 16 2HZ LYS 16 3.514 -1.168 10.280 165 3HZ LYS 16 3HZ LYS 16 4.312 0.268 10.193 166 QB LYS 16 QB LYS 16 5.614 1.246 6.722 167 QD LYS 16 QD LYS 16 2.395 1.204 7.553 168 QG LYS 16 QG LYS 16 4.217 2.576 8.028 169 QE LYS 16 QE LYS 16 3.262 -0.829 8.176 170 QZ LYS 16 QZ LYS 16 3.499 -0.218 10.298 171 H LYS 17 H LYS 17 7.286 1.948 4.480 172 HA LYS 17 HA LYS 17 7.226 4.656 4.255 173 1HB LYS 17 1HB LYS 17 9.191 2.934 4.266 174 2HB LYS 17 2HB LYS 17 9.045 2.969 2.504 175 1HG LYS 17 1HG LYS 17 8.995 5.694 3.686 176 2HG LYS 17 2HG LYS 17 10.366 4.760 4.248 177 1HD LYS 17 1HD LYS 17 11.213 5.860 2.412 178 2HD LYS 17 2HD LYS 17 10.889 4.229 1.831 179 1HE LYS 17 1HE LYS 17 10.304 5.782 0.087 180 2HE LYS 17 2HE LYS 17 8.811 5.076 0.706 181 1HZ LYS 17 1HZ LYS 17 9.803 7.834 1.309 182 2HZ LYS 17 2HZ LYS 17 8.676 7.427 0.280 183 3HZ LYS 17 3HZ LYS 17 8.379 7.129 1.862 184 QB LYS 17 QB LYS 17 9.118 2.952 3.385 185 QD LYS 17 QD LYS 17 11.051 5.045 2.121 186 QG LYS 17 QG LYS 17 9.681 5.227 3.967 187 QE LYS 17 QE LYS 17 9.558 5.429 0.396 188 QZ LYS 17 QZ LYS 17 8.953 7.463 1.150 189 H ILE 18 H ILE 18 6.204 2.336 1.710 190 HA ILE 18 HA ILE 18 6.066 4.399 -0.341 191 HB ILE 18 HB ILE 18 5.961 1.723 -0.385 192 1HG1 ILE 18 1HG1 ILE 18 5.220 3.968 -2.314 193 2HG1 ILE 18 2HG1 ILE 18 6.769 3.144 -2.142 194 1HG2 ILE 18 1HG2 ILE 18 3.637 1.344 0.160 195 2HG2 ILE 18 2HG2 ILE 18 3.132 2.386 -1.173 196 3HG2 ILE 18 3HG2 ILE 18 3.984 0.861 -1.459 197 1HD1 ILE 18 1HD1 ILE 18 5.732 1.123 -3.129 198 2HD1 ILE 18 2HD1 ILE 18 4.228 2.049 -3.386 199 3HD1 ILE 18 3HD1 ILE 18 5.701 2.559 -4.213 200 MG ILE 18 QG2 ILE 18 3.584 1.530 -0.824 201 MD ILE 18 QD1 ILE 18 5.220 1.910 -3.576 202 QG ILE 18 QG1 ILE 18 5.995 3.556 -2.228 203 H ILE 19 H ILE 19 3.775 2.953 1.828 204 HA ILE 19 HA ILE 19 1.518 4.418 0.949 205 HB ILE 19 HB ILE 19 2.164 2.808 3.444 206 1HG1 ILE 19 1HG1 ILE 19 2.073 1.293 1.617 207 2HG1 ILE 19 2HG1 ILE 19 0.551 1.124 2.413 208 1HG2 ILE 19 1HG2 ILE 19 0.286 4.322 3.942 209 2HG2 ILE 19 2HG2 ILE 19 -0.663 3.482 2.700 210 3HG2 ILE 19 3HG2 ILE 19 -0.035 2.586 4.113 211 1HD1 ILE 19 1HD1 ILE 19 1.034 2.676 -0.164 212 2HD1 ILE 19 2HD1 ILE 19 0.361 1.068 0.029 213 3HD1 ILE 19 3HD1 ILE 19 -0.540 2.469 0.648 214 MG ILE 19 QG2 ILE 19 -0.137 3.463 3.585 215 MD ILE 19 QD1 ILE 19 0.285 2.071 0.171 216 QG ILE 19 QG1 ILE 19 1.312 1.209 2.015 217 H GLU 20 H GLU 20 3.890 5.135 3.543 218 HA GLU 20 HA GLU 20 2.724 7.482 4.517 219 1HB GLU 20 1HB GLU 20 4.476 5.699 5.350 220 2HB GLU 20 2HB GLU 20 5.656 6.680 4.479 221 1HG GLU 20 1HG GLU 20 4.264 8.520 5.979 222 2HG GLU 20 2HG GLU 20 4.161 7.078 6.992 223 QB GLU 20 QB GLU 20 5.066 6.190 4.914 224 QG GLU 20 QG GLU 20 4.213 7.799 6.485 225 H ASP 21 H ASP 21 5.118 6.634 2.058 226 HA ASP 21 HA ASP 21 6.303 9.006 1.266 227 1HB ASP 21 1HB ASP 21 6.463 6.676 0.062 228 2HB ASP 21 2HB ASP 21 5.082 7.198 -0.876 229 QB ASP 21 QB ASP 21 5.773 6.937 -0.407 230 H ILE 22 H ILE 22 3.278 7.732 0.111 231 HA ILE 22 HA ILE 22 2.435 10.010 -1.360 232 HB ILE 22 HB ILE 22 0.277 8.751 -1.334 233 1HG1 ILE 22 1HG1 ILE 22 1.746 6.725 0.233 234 2HG1 ILE 22 2HG1 ILE 22 0.133 7.428 0.508 235 1HG2 ILE 22 1HG2 ILE 22 2.585 8.440 -2.815 236 2HG2 ILE 22 2HG2 ILE 22 2.600 6.874 -2.045 237 3HG2 ILE 22 3HG2 ILE 22 1.211 7.336 -3.070 238 1HD1 ILE 22 1HD1 ILE 22 -0.551 6.128 -1.616 239 2HD1 ILE 22 2HD1 ILE 22 0.990 5.248 -1.346 240 3HD1 ILE 22 3HD1 ILE 22 -0.229 5.214 -0.115 241 MG ILE 22 QG2 ILE 22 2.132 7.550 -2.643 242 MD ILE 22 QD1 ILE 22 0.070 5.530 -1.026 243 QG ILE 22 QG1 ILE 22 0.940 7.077 0.370 244 H ILE 23 H ILE 23 1.070 8.661 1.584 245 HA ILE 23 HA ILE 23 -0.729 10.699 2.184 246 HB ILE 23 HB ILE 23 0.849 8.932 4.065 247 1HG1 ILE 23 1HG1 ILE 23 -2.104 8.916 3.215 248 2HG1 ILE 23 2HG1 ILE 23 -0.865 7.959 2.429 249 1HG2 ILE 23 1HG2 ILE 23 -1.500 10.735 4.814 250 2HG2 ILE 23 2HG2 ILE 23 -0.786 9.492 5.861 251 3HG2 ILE 23 3HG2 ILE 23 0.169 10.895 5.405 252 1HD1 ILE 23 1HD1 ILE 23 -0.408 6.827 4.651 253 2HD1 ILE 23 2HD1 ILE 23 -1.875 7.629 5.266 254 3HD1 ILE 23 3HD1 ILE 23 -1.989 6.497 3.915 255 MG ILE 23 QG2 ILE 23 -0.706 10.374 5.360 256 MD ILE 23 QD1 ILE 23 -1.424 6.984 4.611 257 QG ILE 23 QG1 ILE 23 -1.484 8.438 2.822 258 H ASN 24 H ASN 24 2.894 10.945 2.962 259 HA ASN 24 HA ASN 24 2.776 13.478 4.203 260 1HB ASN 24 1HB ASN 24 4.678 11.515 2.813 261 2HB ASN 24 2HB ASN 24 5.183 13.056 3.166 262 1HD2 ASN 24 2HD2 ASN 24 4.936 10.092 4.264 263 2HD2 ASN 24 1HD2 ASN 24 5.732 10.353 5.809 264 QB ASN 24 QB ASN 24 4.931 12.286 2.989 265 QD ASN 24 QD2 ASN 24 5.334 10.223 5.036 266 H CYS 25 H CYS 25 3.711 12.097 1.196 267 HA CYS 25 HA CYS 25 3.606 12.629 -1.009 268 1HB CYS 25 1HB CYS 25 1.777 14.361 -0.558 269 2HB CYS 25 2HB CYS 25 3.086 15.555 -0.467 270 HG CYS 25 HG CYS 25 2.040 15.723 -2.811 271 QB CYS 25 QB CYS 25 2.432 14.958 -0.513 272 H GLU 26 H GLU 26 5.812 11.935 -0.212 273 HA GLU 26 HA GLU 26 7.881 13.735 -0.088 274 1HB GLU 26 1HB GLU 26 7.718 11.350 0.806 275 2HB GLU 26 2HB GLU 26 7.804 10.801 -0.863 276 1HG GLU 26 1HG GLU 26 10.008 12.227 -0.931 277 2HG GLU 26 2HG GLU 26 9.898 12.125 0.825 278 QB GLU 26 QB GLU 26 7.761 11.076 -0.029 279 QG GLU 26 QG GLU 26 9.953 12.176 -0.053 280 H GLY 27 H GLY 27 6.651 14.865 -2.081 281 1HA GLY 27 2HA GLY 27 6.453 13.397 -4.466 282 2HA GLY 27 1HA GLY 27 7.876 14.428 -4.645 283 QA GLY 27 QA GLY 27 7.165 13.913 -4.556 284 H ASP 28 H ASP 28 5.418 14.362 -6.127 285 HA ASP 28 HA ASP 28 4.534 17.203 -6.010 286 1HB ASP 28 1HB ASP 28 6.749 17.096 -7.037 287 2HB ASP 28 2HB ASP 28 6.231 15.775 -8.090 288 QB ASP 28 QB ASP 28 6.490 16.436 -7.564 289 H GLU 29 H GLU 29 3.002 14.763 -5.700 290 HA GLU 29 HA GLU 29 0.856 13.966 -6.171 291 1HB GLU 29 1HB GLU 29 0.922 15.334 -8.865 292 2HB GLU 29 2HB GLU 29 -0.469 14.847 -7.923 293 1HG GLU 29 1HG GLU 29 -0.430 16.810 -6.621 294 2HG GLU 29 2HG GLU 29 1.250 17.172 -6.987 295 QB GLU 29 QB GLU 29 0.227 15.091 -8.394 296 QG GLU 29 QG GLU 29 0.410 16.991 -6.804 297 H LYS 30 H LYS 30 2.903 14.298 -8.833 298 HA LYS 30 HA LYS 30 2.243 12.027 -10.317 299 1HB LYS 30 1HB LYS 30 4.818 13.703 -10.128 300 2HB LYS 30 2HB LYS 30 4.395 12.684 -11.498 301 1HG LYS 30 1HG LYS 30 2.362 14.073 -11.883 302 2HG LYS 30 2HG LYS 30 2.604 14.979 -10.490 303 1HD LYS 30 1HD LYS 30 4.904 15.729 -11.527 304 2HD LYS 30 2HD LYS 30 4.101 15.273 -13.037 305 1HE LYS 30 1HE LYS 30 3.598 17.610 -12.696 306 2HE LYS 30 2HE LYS 30 2.119 16.719 -12.277 307 1HZ LYS 30 1HZ LYS 30 2.957 16.882 -9.919 308 2HZ LYS 30 2HZ LYS 30 4.038 17.966 -10.369 309 3HZ LYS 30 3HZ LYS 30 2.356 18.195 -10.493 310 QB LYS 30 QB LYS 30 4.607 13.194 -10.813 311 QD LYS 30 QD LYS 30 4.503 15.501 -12.282 312 QG LYS 30 QG LYS 30 2.483 14.526 -11.187 313 QE LYS 30 QE LYS 30 2.859 17.165 -12.487 314 QZ LYS 30 QZ LYS 30 3.117 17.681 -10.260 315 H LYS 31 H LYS 31 4.732 12.468 -7.918 316 HA LYS 31 HA LYS 31 5.787 9.915 -7.860 317 1HB LYS 31 1HB LYS 31 6.322 12.327 -6.775 318 2HB LYS 31 2HB LYS 31 5.437 11.658 -5.434 319 1HG LYS 31 1HG LYS 31 7.953 10.622 -6.816 320 2HG LYS 31 2HG LYS 31 7.864 11.437 -5.256 321 1HD LYS 31 1HD LYS 31 6.435 9.369 -4.497 322 2HD LYS 31 2HD LYS 31 7.023 8.605 -5.973 323 1HE LYS 31 1HE LYS 31 8.522 7.902 -4.287 324 2HE LYS 31 2HE LYS 31 9.407 9.152 -5.183 325 1HZ LYS 31 1HZ LYS 31 8.707 10.699 -3.323 326 2HZ LYS 31 2HZ LYS 31 8.006 9.420 -2.601 327 3HZ LYS 31 3HZ LYS 31 9.603 9.447 -2.726 328 QB LYS 31 QB LYS 31 5.880 11.993 -6.105 329 QD LYS 31 QD LYS 31 6.729 8.987 -5.235 330 QG LYS 31 QG LYS 31 7.909 11.030 -6.036 331 QE LYS 31 QE LYS 31 8.965 8.527 -4.735 332 QZ LYS 31 QZ LYS 31 8.772 9.855 -2.883 333 H GLN 32 H GLN 32 2.793 11.319 -6.249 334 HA GLN 32 HA GLN 32 2.249 8.910 -4.811 335 1HB GLN 32 1HB GLN 32 0.079 10.805 -5.748 336 2HB GLN 32 2HB GLN 32 0.116 9.764 -4.342 337 1HG GLN 32 1HG GLN 32 1.888 11.276 -3.360 338 2HG GLN 32 2HG GLN 32 1.643 12.364 -4.719 339 1HE2 GLN 32 2HE2 GLN 32 0.719 12.243 -1.504 340 2HE2 GLN 32 1HE2 GLN 32 -0.853 12.948 -1.730 341 QB GLN 32 QB GLN 32 0.098 10.285 -5.045 342 QG GLN 32 QG GLN 32 1.766 11.820 -4.040 343 QE GLN 32 QE2 GLN 32 -0.067 12.596 -1.617 344 H ASP 33 H ASP 33 1.123 10.261 -7.969 345 HA ASP 33 HA ASP 33 -0.473 8.042 -8.753 346 1HB ASP 33 1HB ASP 33 0.029 10.261 -10.017 347 2HB ASP 33 2HB ASP 33 1.429 9.417 -10.685 348 QB ASP 33 QB ASP 33 0.729 9.839 -10.351 349 H ASP 34 H ASP 34 2.990 8.401 -9.181 350 HA ASP 34 HA ASP 34 3.482 5.966 -10.487 351 1HB ASP 34 1HB ASP 34 5.149 7.692 -10.522 352 2HB ASP 34 2HB ASP 34 5.272 7.715 -8.766 353 QB ASP 34 QB ASP 34 5.211 7.704 -9.644 354 H ASN 35 H ASN 35 3.571 6.755 -7.030 355 HA ASN 35 HA ASN 35 3.891 4.022 -5.993 356 1HB ASN 35 1HB ASN 35 4.035 5.737 -4.285 357 2HB ASN 35 2HB ASN 35 2.608 6.550 -4.864 358 1HD2 ASN 35 2HD2 ASN 35 0.455 5.556 -4.492 359 2HD2 ASN 35 1HD2 ASN 35 0.313 4.388 -3.176 360 QB ASN 35 QB ASN 35 3.322 6.144 -4.575 361 QD ASN 35 QD2 ASN 35 0.384 4.972 -3.834 362 H LEU 36 H LEU 36 0.974 5.877 -7.145 363 HA LEU 36 HA LEU 36 -0.646 4.021 -5.901 364 1HB LEU 36 1HB LEU 36 -0.883 6.442 -7.564 365 2HB LEU 36 2HB LEU 36 -2.259 5.471 -7.670 366 HG LEU 36 HG LEU 36 -0.948 6.580 -5.172 367 1HD1 LEU 36 1HD1 LEU 36 -2.152 8.241 -6.522 368 2HD1 LEU 36 2HD1 LEU 36 -3.622 7.253 -6.461 369 3HD1 LEU 36 3HD1 LEU 36 -2.962 7.983 -4.975 370 1HD2 LEU 36 1HD2 LEU 36 -3.253 4.670 -5.326 371 2HD2 LEU 36 2HD2 LEU 36 -1.851 4.662 -4.253 372 3HD2 LEU 36 3HD2 LEU 36 -3.122 5.840 -3.981 373 MD1 LEU 36 QD1 LEU 36 -2.912 7.826 -5.986 374 MD2 LEU 36 QD2 LEU 36 -2.742 5.057 -4.520 375 QB LEU 36 QB LEU 36 -1.571 5.957 -7.617 376 QD LEU 36 QQD LEU 36 -2.827 6.442 -5.253 377 H GLU 37 H GLU 37 0.486 4.123 -9.074 378 HA GLU 37 HA GLU 37 -0.883 1.730 -10.112 379 1HB GLU 37 1HB GLU 37 0.425 3.109 -11.643 380 2HB GLU 37 2HB GLU 37 1.885 2.947 -10.679 381 1HG GLU 37 1HG GLU 37 0.530 0.562 -12.014 382 2HG GLU 37 2HG GLU 37 1.682 1.582 -12.862 383 QB GLU 37 QB GLU 37 1.155 3.028 -11.161 384 QG GLU 37 QG GLU 37 1.106 1.072 -12.438 385 H HIS 38 H HIS 38 2.203 2.182 -8.364 386 HA HIS 38 HA HIS 38 2.787 -0.562 -8.210 387 1HB HIS 38 1HB HIS 38 4.345 1.374 -7.753 388 2HB HIS 38 2HB HIS 38 3.658 1.458 -6.123 389 HD1 HIS 38 HD1 HIS 38 5.384 -1.128 -8.416 390 HD2 HIS 38 HD2 HIS 38 4.479 -0.313 -4.369 391 HE1 HIS 38 HE1 HIS 38 6.383 -3.053 -7.031 392 QB HIS 38 QB HIS 38 4.002 1.416 -6.938 393 H PHE 39 H PHE 39 1.089 1.475 -5.903 394 HA PHE 39 HA PHE 39 0.369 -0.405 -3.885 395 1HB PHE 39 1HB PHE 39 0.308 2.038 -3.668 396 2HB PHE 39 2HB PHE 39 -0.958 2.142 -4.883 397 HD1 PHE 39 HD1 PHE 39 -3.054 2.744 -3.924 398 HD2 PHE 39 HD2 PHE 39 -0.406 0.140 -1.791 399 HE1 PHE 39 HE1 PHE 39 -4.617 2.701 -1.972 400 HE2 PHE 39 HE2 PHE 39 -2.025 0.006 0.099 401 HZ PHE 39 HZ PHE 39 -4.198 1.252 -0.074 402 QB PHE 39 QB PHE 39 -0.325 2.090 -4.276 403 QD PHE 39 QD PHE 39 -1.730 1.442 -2.858 404 QE PHE 39 QE PHE 39 -3.321 1.354 -0.937 405 QR PHE 39 QR PHE 39 -2.860 1.369 -1.532 406 H ILE 40 H ILE 40 -1.087 0.053 -7.109 407 HA ILE 40 HA ILE 40 -3.216 -1.913 -6.438 408 HB ILE 40 HB ILE 40 -2.283 -0.638 -9.060 409 1HG1 ILE 40 1HG1 ILE 40 -4.853 -0.409 -9.260 410 2HG1 ILE 40 2HG1 ILE 40 -4.943 -0.913 -7.565 411 1HG2 ILE 40 1HG2 ILE 40 -4.055 -3.123 -8.855 412 2HG2 ILE 40 2HG2 ILE 40 -3.850 -2.115 -10.308 413 3HG2 ILE 40 3HG2 ILE 40 -2.481 -3.010 -9.682 414 1HD1 ILE 40 1HD1 ILE 40 -3.283 1.375 -8.668 415 2HD1 ILE 40 2HD1 ILE 40 -4.887 1.565 -7.931 416 3HD1 ILE 40 3HD1 ILE 40 -3.531 0.991 -6.937 417 MG ILE 40 QG2 ILE 40 -3.462 -2.749 -9.615 418 MD ILE 40 QD1 ILE 40 -3.900 1.310 -7.845 419 QG ILE 40 QG1 ILE 40 -4.898 -0.661 -8.413 420 H SER 41 H SER 41 -0.060 -1.763 -8.068 421 HA SER 41 HA SER 41 -0.229 -4.015 -9.292 422 1HB SER 41 1HB SER 41 1.548 -1.968 -9.030 423 2HB SER 41 2HB SER 41 2.577 -3.318 -8.612 424 HG SER 41 HG SER 41 2.057 -2.401 -10.896 425 QB SER 41 QB SER 41 2.063 -2.643 -8.821 426 H VAL 42 H VAL 42 1.903 -3.754 -6.111 427 HA VAL 42 HA VAL 42 2.599 -6.382 -5.975 428 HB VAL 42 HB VAL 42 3.130 -5.619 -3.884 429 1HG1 VAL 42 1HG1 VAL 42 4.610 -5.746 -5.749 430 2HG1 VAL 42 2HG1 VAL 42 4.120 -4.102 -6.239 431 3HG1 VAL 42 3HG1 VAL 42 4.980 -4.372 -4.720 432 1HG2 VAL 42 1HG2 VAL 42 1.649 -3.621 -3.524 433 2HG2 VAL 42 2HG2 VAL 42 3.370 -3.529 -3.095 434 3HG2 VAL 42 3HG2 VAL 42 2.824 -2.776 -4.577 435 MG1 VAL 42 QG1 VAL 42 4.570 -4.740 -5.569 436 MG2 VAL 42 QG2 VAL 42 2.614 -3.309 -3.732 437 QG VAL 42 QQG VAL 42 3.592 -4.024 -4.651 438 H THR 43 H THR 43 -0.234 -4.446 -4.788 439 HA THR 43 HA THR 43 -0.963 -6.200 -2.818 440 HB THR 43 HB THR 43 -2.751 -4.123 -3.740 441 HG1 THR 43 HG1 THR 43 -1.356 -2.534 -3.649 442 1HG2 THR 43 1HG2 THR 43 -2.826 -5.280 -1.513 443 2HG2 THR 43 2HG2 THR 43 -1.255 -4.521 -1.145 444 3HG2 THR 43 3HG2 THR 43 -2.692 -3.499 -1.428 445 MG THR 43 QG2 THR 43 -2.258 -4.433 -1.362 446 H GLU 44 H GLU 44 -2.281 -5.661 -6.079 447 HA GLU 44 HA GLU 44 -3.907 -6.750 -7.257 448 1HB GLU 44 1HB GLU 44 -2.813 -8.835 -5.994 449 2HB GLU 44 2HB GLU 44 -4.311 -8.772 -5.076 450 1HG GLU 44 1HG GLU 44 -5.534 -9.045 -7.297 451 2HG GLU 44 2HG GLU 44 -3.951 -9.471 -7.979 452 QB GLU 44 QB GLU 44 -3.562 -8.803 -5.535 453 QG GLU 44 QG GLU 44 -4.742 -9.258 -7.638 454 H HIS 45 H HIS 45 -4.188 -5.133 -4.442 455 HA HIS 45 HA HIS 45 -6.765 -5.922 -3.457 456 1HB HIS 45 1HB HIS 45 -5.061 -5.128 -1.915 457 2HB HIS 45 2HB HIS 45 -5.066 -3.532 -2.681 458 HD1 HIS 45 HD1 HIS 45 -7.786 -2.525 -2.736 459 HD2 HIS 45 HD2 HIS 45 -6.556 -5.034 0.474 460 HE1 HIS 45 HE1 HIS 45 -9.603 -2.425 -0.968 461 QB HIS 45 QB HIS 45 -5.063 -4.330 -2.298 462 HA PRO 46 HA PRO 46 -8.503 -4.039 -7.007 463 1HB PRO 46 1HB PRO 46 -11.249 -4.110 -6.301 464 2HB PRO 46 2HB PRO 46 -10.279 -5.428 -7.019 465 1HG PRO 46 1HG PRO 46 -10.920 -4.990 -4.074 466 2HG PRO 46 2HG PRO 46 -10.890 -6.506 -5.001 467 1HD PRO 46 1HD PRO 46 -8.880 -5.723 -3.407 468 2HD PRO 46 2HD PRO 46 -8.542 -6.526 -4.989 469 QB PRO 46 QB PRO 46 -10.764 -4.769 -6.660 470 QG PRO 46 QG PRO 46 -10.905 -5.748 -4.538 471 QD PRO 46 QD PRO 46 -8.711 -6.124 -4.198 472 H SER 47 H SER 47 -9.634 -2.559 -3.928 473 HA SER 47 HA SER 47 -10.672 -0.173 -4.841 474 1HB SER 47 1HB SER 47 -8.955 -0.920 -2.448 475 2HB SER 47 2HB SER 47 -9.729 0.612 -2.543 476 HG SER 47 HG SER 47 -11.552 -0.179 -2.138 477 QB SER 47 QB SER 47 -9.342 -0.154 -2.496 478 H GLY 48 H GLY 48 -7.167 -1.088 -4.672 479 1HA GLY 48 2HA GLY 48 -6.163 1.145 -6.047 480 2HA GLY 48 1HA GLY 48 -5.282 0.274 -4.784 481 QA GLY 48 QA GLY 48 -5.722 0.710 -5.416 482 H SER 49 H SER 49 -5.987 3.179 -5.565 483 HA SER 49 HA SER 49 -5.567 4.425 -3.148 484 1HB SER 49 1HB SER 49 -7.021 6.069 -5.144 485 2HB SER 49 2HB SER 49 -5.396 6.280 -4.497 486 HG SER 49 HG SER 49 -5.275 5.841 -6.698 487 QB SER 49 QB SER 49 -6.208 6.175 -4.821 488 H ASP 50 H ASP 50 -8.611 3.097 -3.986 489 HA ASP 50 HA ASP 50 -10.326 5.069 -2.837 490 1HB ASP 50 1HB ASP 50 -11.362 3.553 -4.209 491 2HB ASP 50 2HB ASP 50 -10.449 2.200 -3.636 492 QB ASP 50 QB ASP 50 -10.905 2.877 -3.923 493 H LEU 51 H LEU 51 -8.276 2.577 -1.258 494 HA LEU 51 HA LEU 51 -9.386 2.969 1.447 495 1HB LEU 51 1HB LEU 51 -6.991 1.697 0.105 496 2HB LEU 51 2HB LEU 51 -6.857 2.061 1.805 497 HG LEU 51 HG LEU 51 -8.414 0.531 2.502 498 1HD1 LEU 51 1HD1 LEU 51 -9.566 0.367 -0.311 499 2HD1 LEU 51 2HD1 LEU 51 -9.988 -0.724 1.029 500 3HD1 LEU 51 3HD1 LEU 51 -10.377 0.989 1.133 501 1HD2 LEU 51 1HD2 LEU 51 -6.351 -0.418 1.501 502 2HD2 LEU 51 2HD2 LEU 51 -7.722 -1.535 1.394 503 3HD2 LEU 51 3HD2 LEU 51 -7.203 -0.627 -0.048 504 MD1 LEU 51 QD1 LEU 51 -9.977 0.211 0.617 505 MD2 LEU 51 QD2 LEU 51 -7.092 -0.860 0.949 506 QB LEU 51 QB LEU 51 -6.924 1.879 0.955 507 QD LEU 51 QQD LEU 51 -8.534 -0.325 0.783 508 H ILE 52 H ILE 52 -7.681 5.075 -0.549 509 HA ILE 52 HA ILE 52 -6.094 6.229 1.682 510 HB ILE 52 HB ILE 52 -5.537 5.592 -1.114 511 1HG1 ILE 52 1HG1 ILE 52 -4.064 5.425 1.522 512 2HG1 ILE 52 2HG1 ILE 52 -4.816 4.107 0.611 513 1HG2 ILE 52 1HG2 ILE 52 -5.083 7.995 -1.228 514 2HG2 ILE 52 2HG2 ILE 52 -3.983 7.851 0.166 515 3HG2 ILE 52 3HG2 ILE 52 -3.624 7.058 -1.386 516 1HD1 ILE 52 1HD1 ILE 52 -3.104 4.598 -1.235 517 2HD1 ILE 52 2HD1 ILE 52 -2.335 5.676 -0.051 518 3HD1 ILE 52 3HD1 ILE 52 -2.456 3.940 0.292 519 MG ILE 52 QG2 ILE 52 -4.230 7.635 -0.816 520 MD ILE 52 QD1 ILE 52 -2.632 4.738 -0.331 521 QG ILE 52 QG1 ILE 52 -4.440 4.766 1.066 522 H TYR 53 H TYR 53 -8.111 6.967 -1.253 523 HA TYR 53 HA TYR 53 -8.284 9.797 -0.471 524 1HB TYR 53 1HB TYR 53 -8.783 8.202 -3.012 525 2HB TYR 53 2HB TYR 53 -9.164 9.885 -2.840 526 HD1 TYR 53 HD1 TYR 53 -6.447 10.588 -1.228 527 HD2 TYR 53 HD2 TYR 53 -7.386 8.570 -4.929 528 HE1 TYR 53 HE1 TYR 53 -4.274 11.273 -2.144 529 HE2 TYR 53 HE2 TYR 53 -5.186 9.270 -5.852 530 HH TYR 53 HH TYR 53 -2.868 11.373 -4.154 531 QB TYR 53 QB TYR 53 -8.973 9.044 -2.926 532 QD TYR 53 QD TYR 53 -6.916 9.579 -3.079 533 QE TYR 53 QE TYR 53 -4.730 10.272 -3.998 534 QR TYR 53 QR TYR 53 -5.823 9.925 -3.538 535 H TYR 54 H TYR 54 -10.271 6.839 -0.539 536 HA TYR 54 HA TYR 54 -12.638 8.523 0.050 537 1HB TYR 54 1HB TYR 54 -12.757 5.882 -1.398 538 2HB TYR 54 2HB TYR 54 -14.037 7.061 -1.193 539 HD1 TYR 54 HD1 TYR 54 -12.531 5.568 -3.653 540 HD2 TYR 54 HD2 TYR 54 -12.768 9.597 -2.165 541 HE1 TYR 54 HE1 TYR 54 -11.913 6.406 -5.887 542 HE2 TYR 54 HE2 TYR 54 -12.170 10.471 -4.406 543 HH TYR 54 HH TYR 54 -11.318 8.295 -7.107 544 QB TYR 54 QB TYR 54 -13.397 6.472 -1.296 545 QD TYR 54 QD TYR 54 -12.649 7.583 -2.909 546 QE TYR 54 QE TYR 54 -12.041 8.439 -5.147 547 QR TYR 54 QR TYR 54 -12.345 8.011 -4.028 548 HA PRO 55 HA PRO 55 -11.236 4.823 2.831 549 1HB PRO 55 1HB PRO 55 -10.434 5.991 5.128 550 2HB PRO 55 2HB PRO 55 -9.384 5.839 3.668 551 1HG PRO 55 1HG PRO 55 -10.992 8.183 4.551 552 2HG PRO 55 2HG PRO 55 -9.229 8.085 4.124 553 1HD PRO 55 1HD PRO 55 -11.075 8.859 2.248 554 2HD PRO 55 2HD PRO 55 -9.705 7.778 1.835 555 QB PRO 55 QB PRO 55 -9.909 5.915 4.398 556 QG PRO 55 QG PRO 55 -10.110 8.134 4.337 557 QD PRO 55 QD PRO 55 -10.390 8.319 2.041 558 H GLU 56 H GLU 56 -12.268 3.925 4.668 559 HA GLU 56 HA GLU 56 -14.905 5.088 5.363 560 1HB GLU 56 1HB GLU 56 -15.552 2.597 5.553 561 2HB GLU 56 2HB GLU 56 -15.445 3.342 3.993 562 1HG GLU 56 1HG GLU 56 -14.470 0.964 4.316 563 2HG GLU 56 2HG GLU 56 -13.582 2.136 3.341 564 QB GLU 56 QB GLU 56 -15.498 2.970 4.773 565 QG GLU 56 QG GLU 56 -14.026 1.550 3.828 566 H GLY 57 H GLY 57 -15.456 3.107 7.241 567 1HA GLY 57 2HA GLY 57 -15.732 3.650 9.507 568 2HA GLY 57 1HA GLY 57 -14.283 4.665 9.454 569 QA GLY 57 QA GLY 57 -15.007 4.158 9.480 570 H ASN 58 H ASN 58 -13.396 1.808 8.261 571 HA ASN 58 HA ASN 58 -12.500 0.639 10.870 572 1HB ASN 58 1HB ASN 58 -12.219 -1.274 9.612 573 2HB ASN 58 2HB ASN 58 -12.823 -0.446 8.198 574 1HD2 ASN 58 2HD2 ASN 58 -11.290 0.408 6.770 575 2HD2 ASN 58 1HD2 ASN 58 -9.843 -0.626 6.759 576 QB ASN 58 QB ASN 58 -12.521 -0.860 8.905 577 QD ASN 58 QD2 ASN 58 -10.566 -0.109 6.764 578 H ASN 59 H ASN 59 -11.840 3.137 8.588 579 HA ASN 59 HA ASN 59 -8.967 2.663 8.519 580 1HB ASN 59 1HB ASN 59 -10.672 3.217 6.662 581 2HB ASN 59 2HB ASN 59 -10.411 4.888 7.081 582 1HD2 ASN 59 2HD2 ASN 59 -9.883 3.505 4.635 583 2HD2 ASN 59 1HD2 ASN 59 -8.299 4.093 4.296 584 QB ASN 59 QB ASN 59 -10.541 4.053 6.871 585 QD ASN 59 QD2 ASN 59 -9.091 3.799 4.465 586 H ASP 60 H ASP 60 -7.385 3.893 9.443 587 HA ASP 60 HA ASP 60 -8.221 6.024 11.309 588 1HB ASP 60 1HB ASP 60 -6.336 5.677 12.540 589 2HB ASP 60 2HB ASP 60 -6.752 4.038 12.066 590 QB ASP 60 QB ASP 60 -6.544 4.858 12.303 591 H GLY 61 H GLY 61 -7.278 5.667 8.121 592 1HA GLY 61 2HA GLY 61 -6.948 8.434 7.702 593 2HA GLY 61 1HA GLY 61 -6.768 7.136 6.518 594 QA GLY 61 QA GLY 61 -6.858 7.785 7.110 595 H SER 62 H SER 62 -4.593 6.279 8.970 596 HA SER 62 HA SER 62 -2.381 7.854 7.978 597 1HB SER 62 1HB SER 62 -1.735 7.634 10.067 598 2HB SER 62 2HB SER 62 -3.340 7.171 10.470 599 HG SER 62 HG SER 62 -2.741 5.291 10.932 600 QB SER 62 QB SER 62 -2.537 7.403 10.268 601 HA PRO 63 HA PRO 63 -0.887 4.399 5.709 602 1HB PRO 63 1HB PRO 63 1.652 3.740 6.563 603 2HB PRO 63 2HB PRO 63 1.310 5.269 5.698 604 1HG PRO 63 1HG PRO 63 1.442 4.855 8.701 605 2HG PRO 63 2HG PRO 63 2.293 6.090 7.719 606 1HD PRO 63 1HD PRO 63 -0.013 6.680 8.964 607 2HD PRO 63 2HD PRO 63 0.273 7.282 7.304 608 QB PRO 63 QB PRO 63 1.481 4.505 6.130 609 QG PRO 63 QG PRO 63 1.868 5.473 8.210 610 QD PRO 63 QD PRO 63 0.130 6.981 8.134 611 H GLU 64 H GLU 64 -1.535 4.043 9.043 612 HA GLU 64 HA GLU 64 -0.609 1.319 9.316 613 1HB GLU 64 1HB GLU 64 -2.302 3.240 10.951 614 2HB GLU 64 2HB GLU 64 -2.111 1.580 11.445 615 1HG GLU 64 1HG GLU 64 0.336 3.272 10.769 616 2HG GLU 64 2HG GLU 64 -0.444 3.369 12.323 617 QB GLU 64 QB GLU 64 -2.206 2.410 11.198 618 QG GLU 64 QG GLU 64 -0.054 3.321 11.546 619 H ALA 65 H ALA 65 -3.891 2.798 9.192 620 HA ALA 65 HA ALA 65 -5.164 0.248 9.184 621 1HB ALA 65 3HB ALA 65 -6.389 2.241 9.783 622 2HB ALA 65 2HB ALA 65 -7.158 1.457 8.386 623 3HB ALA 65 1HB ALA 65 -6.159 2.913 8.145 624 MB ALA 65 QB ALA 65 -6.569 2.204 8.771 625 H VAL 66 H VAL 66 -3.739 2.082 6.477 626 HA VAL 66 HA VAL 66 -5.053 0.321 4.490 627 HB VAL 66 HB VAL 66 -2.415 1.775 4.172 628 1HG1 VAL 66 1HG1 VAL 66 -4.272 0.635 2.132 629 2HG1 VAL 66 2HG1 VAL 66 -2.850 1.677 1.799 630 3HG1 VAL 66 3HG1 VAL 66 -2.629 0.097 2.541 631 1HG2 VAL 66 1HG2 VAL 66 -4.224 3.489 4.666 632 2HG2 VAL 66 2HG2 VAL 66 -3.677 3.596 2.999 633 3HG2 VAL 66 3HG2 VAL 66 -5.207 2.795 3.371 634 MG1 VAL 66 QG1 VAL 66 -3.250 0.803 2.157 635 MG2 VAL 66 QG2 VAL 66 -4.369 3.293 3.679 636 QG VAL 66 QQG VAL 66 -3.810 2.048 2.918 637 H ILE 67 H ILE 67 -1.866 0.165 6.283 638 HA ILE 67 HA ILE 67 -1.053 -2.181 4.862 639 HB ILE 67 HB ILE 67 -0.204 -0.728 7.340 640 1HG1 ILE 67 1HG1 ILE 67 2.029 -1.236 6.319 641 2HG1 ILE 67 2HG1 ILE 67 1.285 -2.357 5.194 642 1HG2 ILE 67 1HG2 ILE 67 0.453 -3.698 7.242 643 2HG2 ILE 67 2HG2 ILE 67 1.266 -2.500 8.253 644 3HG2 ILE 67 3HG2 ILE 67 -0.432 -2.839 8.522 645 1HD1 ILE 67 1HD1 ILE 67 0.412 0.513 5.445 646 2HD1 ILE 67 2HD1 ILE 67 1.676 -0.010 4.312 647 3HD1 ILE 67 3HD1 ILE 67 -0.003 -0.578 4.147 648 MG ILE 67 QG2 ILE 67 0.429 -3.012 8.006 649 MD ILE 67 QD1 ILE 67 0.695 -0.025 4.635 650 QG ILE 67 QG1 ILE 67 1.657 -1.796 5.756 651 H LYS 68 H LYS 68 -2.803 -1.692 7.585 652 HA LYS 68 HA LYS 68 -3.466 -4.475 8.349 653 1HB LYS 68 1HB LYS 68 -5.213 -1.982 8.735 654 2HB LYS 68 2HB LYS 68 -5.471 -3.552 9.472 655 1HG LYS 68 1HG LYS 68 -3.101 -3.341 10.439 656 2HG LYS 68 2HG LYS 68 -3.048 -1.752 9.819 657 1HD LYS 68 1HD LYS 68 -5.370 -1.528 11.237 658 2HD LYS 68 2HD LYS 68 -4.484 -2.698 12.223 659 1HE LYS 68 1HE LYS 68 -3.647 0.107 11.359 660 2HE LYS 68 2HE LYS 68 -3.966 -0.434 13.007 661 1HZ LYS 68 1HZ LYS 68 -1.949 -1.822 12.831 662 2HZ LYS 68 2HZ LYS 68 -1.697 -1.269 11.298 663 3HZ LYS 68 3HZ LYS 68 -1.571 -0.255 12.541 664 QB LYS 68 QB LYS 68 -5.342 -2.767 9.103 665 QD LYS 68 QD LYS 68 -4.927 -2.113 11.730 666 QG LYS 68 QG LYS 68 -3.074 -2.546 10.129 667 QE LYS 68 QE LYS 68 -3.806 -0.163 12.183 668 QZ LYS 68 QZ LYS 68 -1.739 -1.115 12.223 669 H GLU 69 H GLU 69 -5.509 -2.243 6.254 670 HA GLU 69 HA GLU 69 -7.130 -4.419 5.655 671 1HB GLU 69 1HB GLU 69 -6.806 -1.693 5.021 672 2HB GLU 69 2HB GLU 69 -6.723 -2.399 3.531 673 1HG GLU 69 1HG GLU 69 -8.997 -2.511 5.568 674 2HG GLU 69 2HG GLU 69 -9.077 -1.856 3.942 675 QB GLU 69 QB GLU 69 -6.764 -2.046 4.276 676 QG GLU 69 QG GLU 69 -9.037 -2.183 4.755 677 H ILE 70 H ILE 70 -3.908 -3.728 4.454 678 HA ILE 70 HA ILE 70 -4.226 -5.030 1.969 679 HB ILE 70 HB ILE 70 -1.890 -4.010 3.437 680 1HG1 ILE 70 1HG1 ILE 70 -2.287 -2.309 2.312 681 2HG1 ILE 70 2HG1 ILE 70 -2.136 -3.085 0.756 682 1HG2 ILE 70 1HG2 ILE 70 -2.100 -5.688 0.950 683 2HG2 ILE 70 2HG2 ILE 70 -0.672 -4.677 1.367 684 3HG2 ILE 70 3HG2 ILE 70 -1.151 -6.019 2.428 685 1HD1 ILE 70 1HD1 ILE 70 -4.645 -2.249 2.265 686 2HD1 ILE 70 2HD1 ILE 70 -3.946 -1.516 0.845 687 3HD1 ILE 70 3HD1 ILE 70 -4.648 -3.140 0.720 688 MG ILE 70 QG2 ILE 70 -1.308 -5.461 1.582 689 MD ILE 70 QD1 ILE 70 -4.413 -2.302 1.277 690 QG ILE 70 QG1 ILE 70 -2.211 -2.697 1.534 691 H LYS 71 H LYS 71 -2.513 -5.771 5.254 692 HA LYS 71 HA LYS 71 -2.169 -8.509 5.017 693 1HB LYS 71 1HB LYS 71 -3.420 -7.129 7.451 694 2HB LYS 71 2HB LYS 71 -2.694 -8.698 7.435 695 1HG LYS 71 1HG LYS 71 -1.181 -6.127 6.922 696 2HG LYS 71 2HG LYS 71 -1.406 -6.897 8.501 697 1HD LYS 71 1HD LYS 71 -0.384 -8.969 7.426 698 2HD LYS 71 2HD LYS 71 0.103 -7.879 6.095 699 1HE LYS 71 1HE LYS 71 1.386 -6.480 7.636 700 2HE LYS 71 2HE LYS 71 0.690 -7.263 9.048 701 1HZ LYS 71 1HZ LYS 71 2.374 -8.907 7.273 702 2HZ LYS 71 2HZ LYS 71 3.069 -7.897 8.354 703 3HZ LYS 71 3HZ LYS 71 2.147 -8.994 8.914 704 QB LYS 71 QB LYS 71 -3.057 -7.913 7.443 705 QD LYS 71 QD LYS 71 -0.140 -8.424 6.760 706 QG LYS 71 QG LYS 71 -1.293 -6.512 7.711 707 QE LYS 71 QE LYS 71 1.038 -6.871 8.342 708 QZ LYS 71 QZ LYS 71 2.530 -8.599 8.180 709 H GLU 72 H GLU 72 -5.245 -6.755 6.078 710 HA GLU 72 HA GLU 72 -6.277 -9.272 6.638 711 1HB GLU 72 1HB GLU 72 -6.523 -6.480 7.263 712 2HB GLU 72 2HB GLU 72 -8.018 -6.973 6.671 713 1HG GLU 72 1HG GLU 72 -7.744 -7.230 9.133 714 2HG GLU 72 2HG GLU 72 -7.940 -8.846 8.398 715 QB GLU 72 QB GLU 72 -7.270 -6.726 6.967 716 QG GLU 72 QG GLU 72 -7.842 -8.038 8.765 717 H TRP 73 H TRP 73 -7.053 -6.890 3.985 718 HA TRP 73 HA TRP 73 -8.883 -8.428 2.551 719 1HB TRP 73 1HB TRP 73 -8.203 -6.164 2.006 720 2HB TRP 73 2HB TRP 73 -6.659 -6.845 1.421 721 HD1 TRP 73 HD1 TRP 73 -10.323 -6.608 0.663 722 HE1 TRP 73 HE1 TRP 73 -10.750 -7.185 -1.813 723 HE3 TRP 73 HE3 TRP 73 -5.668 -8.106 -0.531 724 HZ2 TRP 73 HZ2 TRP 73 -9.218 -8.341 -4.000 725 HZ3 TRP 73 HZ3 TRP 73 -5.089 -8.829 -2.884 726 HH2 TRP 73 HH2 TRP 73 -6.757 -8.999 -4.538 727 QB TRP 73 QB TRP 73 -7.431 -6.504 1.713 728 H ARG 74 H ARG 74 -5.147 -8.689 2.448 729 HA ARG 74 HA ARG 74 -5.392 -10.591 0.350 730 1HB ARG 74 1HB ARG 74 -3.203 -10.053 2.395 731 2HB ARG 74 2HB ARG 74 -2.995 -11.103 0.989 732 1HG ARG 74 1HG ARG 74 -3.925 -8.223 0.663 733 2HG ARG 74 2HG ARG 74 -2.258 -8.582 0.897 734 1HD ARG 74 1HD ARG 74 -4.062 -9.706 -1.298 735 2HD ARG 74 2HD ARG 74 -3.058 -8.270 -1.463 736 HE ARG 74 HE ARG 74 -1.396 -10.414 -0.630 737 1HH1 ARG 74 1HH1 ARG 74 -0.473 -11.983 -1.927 738 2HH1 ARG 74 2HH1 ARG 74 -0.886 -12.100 -3.635 739 1HH2 ARG 74 1HH2 ARG 74 -2.974 -9.292 -3.565 740 2HH2 ARG 74 2HH2 ARG 74 -2.741 -10.724 -4.507 741 QB ARG 74 QB ARG 74 -3.099 -10.578 1.692 742 QG ARG 74 QG ARG 74 -3.091 -8.402 0.780 743 QD ARG 74 QD ARG 74 -3.560 -8.988 -1.381 744 QH1 ARG 74 QH1 ARG 74 -0.679 -12.041 -2.781 745 QH2 ARG 74 QH2 ARG 74 -2.857 -10.008 -4.036 746 H ALA 75 H ALA 75 -4.980 -11.049 3.945 747 HA ALA 75 HA ALA 75 -4.927 -13.803 3.684 748 1HB ALA 75 3HB ALA 75 -5.285 -13.785 6.174 749 2HB ALA 75 1HB ALA 75 -4.073 -12.583 5.676 750 3HB ALA 75 2HB ALA 75 -5.723 -12.066 6.082 751 MB ALA 75 QB ALA 75 -5.027 -12.811 5.977 752 H ALA 76 H ALA 76 -7.742 -11.576 4.215 753 HA ALA 76 HA ALA 76 -9.674 -13.625 4.646 754 1HB ALA 76 3HB ALA 76 -10.114 -11.241 5.106 755 2HB ALA 76 1HB ALA 76 -9.972 -10.861 3.377 756 3HB ALA 76 2HB ALA 76 -11.303 -11.886 3.956 757 MB ALA 76 QB ALA 76 -10.463 -11.329 4.146 758 H ASN 77 H ASN 77 -8.420 -12.067 1.617 759 HA ASN 77 HA ASN 77 -9.946 -13.670 -0.178 760 1HB ASN 77 1HB ASN 77 -7.457 -11.916 -0.305 761 2HB ASN 77 2HB ASN 77 -7.927 -12.929 -1.606 762 1HD2 ASN 77 2HD2 ASN 77 -9.342 -10.410 0.445 763 2HD2 ASN 77 1HD2 ASN 77 -10.259 -9.675 -0.835 764 QB ASN 77 QB ASN 77 -7.692 -12.422 -0.956 765 QD ASN 77 QD2 ASN 77 -9.800 -10.042 -0.195 766 H GLY 78 H GLY 78 -7.516 -14.745 1.974 767 1HA GLY 78 2HA GLY 78 -7.174 -17.236 0.518 768 2HA GLY 78 1HA GLY 78 -6.621 -16.838 2.146 769 QA GLY 78 QA GLY 78 -6.897 -17.037 1.332 770 H LYS 79 H LYS 79 -5.228 -14.283 0.735 771 HA LYS 79 HA LYS 79 -3.190 -15.590 -0.855 772 1HB LYS 79 1HB LYS 79 -3.990 -12.652 -0.510 773 2HB LYS 79 2HB LYS 79 -3.010 -13.374 -1.767 774 1HG LYS 79 1HG LYS 79 -5.029 -14.743 -2.441 775 2HG LYS 79 2HG LYS 79 -5.958 -13.795 -1.308 776 1HD LYS 79 1HD LYS 79 -5.552 -11.729 -2.491 777 2HD LYS 79 2HD LYS 79 -4.503 -12.553 -3.667 778 1HE LYS 79 1HE LYS 79 -6.247 -13.643 -4.717 779 2HE LYS 79 2HE LYS 79 -7.256 -13.690 -3.266 780 1HZ LYS 79 1HZ LYS 79 -7.589 -11.234 -3.622 781 2HZ LYS 79 2HZ LYS 79 -6.790 -11.434 -5.083 782 3HZ LYS 79 3HZ LYS 79 -8.206 -12.179 -4.795 783 QB LYS 79 QB LYS 79 -3.500 -13.013 -1.139 784 QD LYS 79 QD LYS 79 -5.027 -12.141 -3.079 785 QG LYS 79 QG LYS 79 -5.493 -14.269 -1.875 786 QE LYS 79 QE LYS 79 -6.751 -13.666 -3.992 787 QZ LYS 79 QZ LYS 79 -7.528 -11.616 -4.500 788 H SER 80 H SER 80 -0.978 -14.586 -0.712 789 HA SER 80 HA SER 80 0.015 -14.338 1.969 790 1HB SER 80 1HB SER 80 2.065 -13.526 0.512 791 2HB SER 80 2HB SER 80 1.567 -15.222 0.500 792 HG SER 80 HG SER 80 1.922 -14.403 -1.598 793 QB SER 80 QB SER 80 1.816 -14.374 0.506 794 H GLY 81 H GLY 81 0.079 -12.534 3.185 795 1HA GLY 81 2HA GLY 81 0.053 -10.320 3.806 796 2HA GLY 81 1HA GLY 81 -0.243 -9.793 2.139 797 QA GLY 81 QA GLY 81 -0.095 -10.056 2.972 798 H PHE 82 H PHE 82 1.819 -8.619 3.657 799 HA PHE 82 HA PHE 82 4.113 -9.043 2.117 800 1HB PHE 82 1HB PHE 82 4.450 -7.829 4.822 801 2HB PHE 82 2HB PHE 82 4.976 -7.261 3.268 802 HD1 PHE 82 HD1 PHE 82 2.350 -7.119 5.742 803 HD2 PHE 82 HD2 PHE 82 3.585 -5.898 1.826 804 HE1 PHE 82 HE1 PHE 82 0.553 -5.355 5.724 805 HE2 PHE 82 HE2 PHE 82 1.807 -4.195 1.797 806 HZ PHE 82 HZ PHE 82 0.310 -3.894 3.755 807 QB PHE 82 QB PHE 82 4.713 -7.545 4.045 808 QD PHE 82 QD PHE 82 2.968 -6.508 3.784 809 QE PHE 82 QE PHE 82 1.180 -4.775 3.760 810 QR PHE 82 QR PHE 82 1.721 -5.292 3.769 811 H LYS 83 H LYS 83 6.229 -9.181 3.668 812 HA LYS 83 HA LYS 83 7.019 -11.625 4.415 813 1HB LYS 83 1HB LYS 83 7.909 -9.055 4.414 814 2HB LYS 83 2HB LYS 83 7.536 -9.187 6.050 815 1HG LYS 83 1HG LYS 83 9.918 -9.872 5.798 816 2HG LYS 83 2HG LYS 83 9.075 -11.402 5.941 817 1HD LYS 83 1HD LYS 83 10.674 -11.517 4.109 818 2HD LYS 83 2HD LYS 83 9.042 -11.599 3.436 819 1HE LYS 83 1HE LYS 83 9.178 -9.164 2.871 820 2HE LYS 83 2HE LYS 83 10.828 -9.116 3.492 821 1HZ LYS 83 1HZ LYS 83 9.879 -10.738 1.202 822 2HZ LYS 83 2HZ LYS 83 10.670 -9.336 1.073 823 3HZ LYS 83 3HZ LYS 83 11.466 -10.612 1.675 824 QB LYS 83 QB LYS 83 7.723 -9.121 5.232 825 QD LYS 83 QD LYS 83 9.858 -11.558 3.772 826 QG LYS 83 QG LYS 83 9.497 -10.637 5.869 827 QE LYS 83 QE LYS 83 10.003 -9.140 3.181 828 QZ LYS 83 QZ LYS 83 10.672 -10.229 1.317 829 H GLN 84 H GLN 84 7.166 -12.748 6.493 830 HA GLN 84 HA GLN 84 4.922 -12.717 8.111 831 1HB GLN 84 1HB GLN 84 6.656 -14.556 7.283 832 2HB GLN 84 2HB GLN 84 7.625 -14.046 8.659 833 1HG GLN 84 1HG GLN 84 4.957 -14.407 9.611 834 2HG GLN 84 2HG GLN 84 5.265 -15.726 8.473 835 1HE2 GLN 84 2HE2 GLN 84 6.933 -13.989 11.178 836 2HE2 GLN 84 1HE2 GLN 84 7.557 -15.463 11.932 837 QB GLN 84 QB GLN 84 7.141 -14.301 7.971 838 QG GLN 84 QG GLN 84 5.111 -15.066 9.042 839 QE GLN 84 QE2 GLN 84 7.245 -14.726 11.555 840 H GLY 85 H GLY 85 5.634 -10.251 8.371 841 1HA GLY 85 2HA GLY 85 6.788 -8.793 10.259 842 2HA GLY 85 1HA GLY 85 5.786 -9.941 11.220 843 QA GLY 85 QA GLY 85 6.287 -9.367 10.739 No H/Q in entry = 843
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