NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
10335 | 1pk2 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 668 H/Q atoms 1 1H SER 1 HT1 SER 1 21.896 2.056 -4.456 2 2H SER 1 HT2 SER 1 20.961 1.852 -5.862 3 3H SER 1 HT3 SER 1 21.114 3.394 -5.161 4 HA SER 1 HA SER 1 22.732 3.739 -6.641 5 1HB SER 1 HB1 SER 1 24.262 3.560 -4.787 6 2HB SER 1 HB2 SER 1 24.939 2.374 -5.926 7 HG SER 1 HG SER 1 24.579 1.059 -4.280 8 H GLU 2 HN GLU 2 24.120 2.859 -8.375 9 HA GLU 2 HA GLU 2 24.186 1.526 -10.323 10 1HB GLU 2 HB1 GLU 2 24.122 -0.788 -8.332 11 2HB GLU 2 HB2 GLU 2 25.511 0.288 -8.428 12 1HG GLU 2 HG1 GLU 2 26.203 -0.572 -10.432 13 2HG GLU 2 HG2 GLU 2 24.561 -0.714 -11.050 14 H GLY 3 HN GLY 3 23.031 -1.421 -9.711 15 1HA GLY 3 HA1 GLY 3 20.961 -2.512 -10.089 16 2HA GLY 3 HA2 GLY 3 20.701 -1.233 -11.276 17 H ASN 4 HN ASN 4 21.146 -0.644 -7.878 18 HA ASN 4 HA ASN 4 19.714 0.133 -6.202 19 1HB ASN 4 HB1 ASN 4 18.200 1.477 -8.473 20 2HB ASN 4 HB2 ASN 4 19.810 2.013 -8.003 21 1HD2 ASN 4 HD21 ASN 4 16.450 1.850 -6.988 22 2HD2 ASN 4 HD22 ASN 4 16.629 2.835 -5.618 23 H SER 5 HN SER 5 18.908 -2.225 -6.247 24 HA SER 5 HA SER 5 16.364 -2.843 -7.379 25 1HB SER 5 HB1 SER 5 16.388 -4.753 -5.808 26 2HB SER 5 HB2 SER 5 17.598 -3.940 -4.790 27 HG SER 5 HG SER 5 18.792 -5.160 -6.170 28 H ASP 6 HN ASP 6 14.581 -1.733 -7.004 29 HA ASP 6 HA ASP 6 13.830 0.148 -5.240 30 1HB ASP 6 HB1 ASP 6 11.535 -0.563 -5.558 31 2HB ASP 6 HB2 ASP 6 11.999 -2.248 -5.730 32 H CYS 7 HN CYS 7 14.422 0.246 -3.128 33 HA CYS 7 HA CYS 7 13.301 -1.865 -1.357 34 1HB CYS 7 HB1 CYS 7 15.782 -2.221 -1.872 35 2HB CYS 7 HB2 CYS 7 15.357 -2.157 -0.186 36 OH TYR 8 OH TYR 8 11.605 -4.310 5.135 37 H TYR 8 HN TYR 8 13.952 -1.116 1.046 38 HA TYR 8 HA TYR 8 13.459 1.794 1.382 39 1HB TYR 8 HB1 TYR 8 11.229 0.493 1.291 40 2HB TYR 8 HB2 TYR 8 11.488 1.381 2.788 41 HD1 TYR 8 HD1 TYR 8 11.702 -1.991 1.247 42 HD2 TYR 8 HD2 TYR 8 11.737 0.210 4.884 43 HE1 TYR 8 HE1 TYR 8 11.605 -4.088 2.516 44 HE2 TYR 8 HE2 TYR 8 11.642 -1.891 6.151 45 HH TYR 8 HH TYR 8 12.520 -4.574 5.292 46 H PHE 9 HN PHE 9 13.717 2.465 3.650 47 HA PHE 9 HA PHE 9 15.593 0.640 5.092 48 1HB PHE 9 HB1 PHE 9 16.364 2.999 4.188 49 2HB PHE 9 HB2 PHE 9 16.783 2.585 5.845 50 HD1 PHE 9 HD2 PHE 9 14.417 4.535 3.752 51 HD2 PHE 9 HD1 PHE 9 15.834 3.798 7.704 52 HE1 PHE 9 HE2 PHE 9 13.217 6.520 4.558 53 HE2 PHE 9 HE1 PHE 9 14.629 5.785 8.502 54 HZ PHE 9 HZ PHE 9 13.317 7.142 6.931 55 H GLY 10 HN GLY 10 15.134 0.064 7.139 56 1HA GLY 10 HA1 GLY 10 13.522 1.534 8.984 57 2HA GLY 10 HA2 GLY 10 13.882 -0.185 9.121 58 H ASN 11 HN ASN 11 11.711 2.155 7.625 59 HA ASN 11 HA ASN 11 9.791 -0.028 6.992 60 1HB ASN 11 HB1 ASN 11 9.191 0.700 9.266 61 2HB ASN 11 HB2 ASN 11 7.979 1.321 8.154 62 1HD2 ASN 11 HD21 ASN 11 8.237 2.628 10.566 63 2HD2 ASN 11 HD22 ASN 11 8.987 4.136 10.351 64 H GLY 12 HN GLY 12 11.437 2.311 5.691 65 1HA GLY 12 HA1 GLY 12 9.845 2.694 3.413 66 2HA GLY 12 HA2 GLY 12 11.073 3.852 3.927 67 H SER 13 HN SER 13 10.073 4.763 6.261 68 HA SER 13 HA SER 13 7.279 5.481 6.153 69 1HB SER 13 HB1 SER 13 8.374 5.515 8.322 70 2HB SER 13 HB2 SER 13 8.142 7.231 7.927 71 HG SER 13 HG SER 13 10.456 5.661 7.878 72 H ALA 14 HN ALA 14 10.074 7.671 6.047 73 HA ALA 14 HA ALA 14 8.522 9.726 4.699 74 1HB ALA 14 HB1 ALA 14 11.474 9.370 5.381 75 2HB ALA 14 HB2 ALA 14 10.320 10.475 6.123 76 3HB ALA 14 HB3 ALA 14 10.902 10.778 4.488 77 OH TYR 15 OH TYR 15 13.778 5.472 -3.789 78 H TYR 15 HN TYR 15 11.121 7.527 3.668 79 HA TYR 15 HA TYR 15 11.368 8.493 1.015 80 1HB TYR 15 HB1 TYR 15 11.643 5.594 1.966 81 2HB TYR 15 HB2 TYR 15 12.906 6.814 2.127 82 HD1 TYR 15 HD2 TYR 15 13.378 8.147 -0.176 83 HD2 TYR 15 HD1 TYR 15 11.767 4.219 0.067 84 HE1 TYR 15 HE2 TYR 15 14.105 7.703 -2.474 85 HE2 TYR 15 HE1 TYR 15 12.503 3.780 -2.233 86 HH TYR 15 HH TYR 15 14.250 4.637 -3.791 87 NH1 ARG 16 NH1 ARG 16 6.827 9.336 -5.490 88 NH2 ARG 16 NH2 ARG 16 6.730 11.578 -5.406 89 H ARG 16 HN ARG 16 10.548 7.679 -0.960 90 HA ARG 16 HA ARG 16 7.752 6.681 -0.689 91 1HB ARG 16 HB1 ARG 16 7.434 7.591 -2.967 92 2HB ARG 16 HB2 ARG 16 9.159 7.897 -3.122 93 1HG ARG 16 HG1 ARG 16 8.929 9.413 -1.055 94 2HG ARG 16 HG2 ARG 16 7.189 9.282 -1.277 95 1HD ARG 16 HD1 ARG 16 8.972 10.077 -3.588 96 2HD ARG 16 HD2 ARG 16 8.428 11.283 -2.416 97 HE ARG 16 HE ARG 16 6.047 10.405 -3.024 98 1HH1 ARG 16 HH11 ARG 16 6.878 8.469 -5.002 99 2HH1 ARG 16 HH12 ARG 16 6.793 9.346 -6.487 100 1HH2 ARG 16 HH21 ARG 16 6.712 12.406 -4.854 101 2HH2 ARG 16 HH22 ARG 16 6.682 11.637 -6.399 102 H GLY 17 HN GLY 17 7.418 4.598 -1.063 103 1HA GLY 17 HA1 GLY 17 7.881 2.377 -1.743 104 2HA GLY 17 HA2 GLY 17 9.436 2.934 -2.358 105 H THR 18 HN THR 18 9.026 1.597 -4.216 106 HA THR 18 HA THR 18 7.278 2.964 -6.232 107 HB THR 18 HB THR 18 8.845 1.579 -7.852 108 HG1 THR 18 HG1 THR 18 10.587 0.709 -6.818 109 1HG2 THR 18 HG21 THR 18 10.887 3.074 -7.270 110 2HG2 THR 18 HG22 THR 18 9.954 3.681 -5.906 111 3HG2 THR 18 HG23 THR 18 9.398 3.970 -7.552 112 H HIS 19 HN HIS 19 7.415 0.168 -4.360 113 HA HIS 19 HA HIS 19 6.249 -1.634 -6.344 114 1HB HIS 19 HB1 HIS 19 6.140 -2.073 -3.342 115 2HB HIS 19 HB2 HIS 19 7.671 -2.211 -4.206 116 HD1 HIS 19 HD1 HIS 19 6.842 -3.628 -6.648 117 HD2 HIS 19 HD2 HIS 19 5.300 -4.646 -3.037 118 HE1 HIS 19 HE1 HIS 19 5.988 -5.887 -6.945 119 H SER 20 HN SER 20 4.161 -2.460 -6.399 120 HA SER 20 HA SER 20 2.082 -1.019 -4.791 121 1HB SER 20 HB1 SER 20 2.064 0.176 -6.903 122 2HB SER 20 HB2 SER 20 0.744 -0.992 -7.072 123 HG SER 20 HG SER 20 1.858 -1.847 -8.634 124 H LEU 21 HN LEU 21 2.934 -3.692 -4.301 125 HA LEU 21 HA LEU 21 0.341 -5.107 -4.635 126 1HB LEU 21 HB1 LEU 21 2.920 -6.294 -5.782 127 2HB LEU 21 HB2 LEU 21 1.595 -5.652 -6.750 128 HG LEU 21 HG LEU 21 0.471 -7.472 -4.831 129 1HD1 LEU 21 HD11 LEU 21 0.901 -8.069 -7.752 130 2HD1 LEU 21 HD12 LEU 21 -0.187 -6.774 -7.263 131 3HD1 LEU 21 HD13 LEU 21 -0.503 -8.430 -6.753 132 1HD2 LEU 21 HD21 LEU 21 2.611 -8.776 -6.528 133 2HD2 LEU 21 HD22 LEU 21 1.654 -9.508 -5.243 134 3HD2 LEU 21 HD23 LEU 21 2.900 -8.327 -4.850 135 H THR 22 HN THR 22 0.154 -6.940 -3.258 136 HA THR 22 HA THR 22 1.972 -6.807 -0.996 137 HB THR 22 HB THR 22 0.402 -8.269 0.129 138 HG1 THR 22 HG1 THR 22 -1.136 -8.229 -2.240 139 1HG2 THR 22 HG21 THR 22 -1.487 -6.784 0.106 140 2HG2 THR 22 HG22 THR 22 -1.304 -6.444 -1.612 141 3HG2 THR 22 HG23 THR 22 -0.185 -5.741 -0.448 142 H GLU 23 HN GLU 23 3.132 -8.438 -0.093 143 HA GLU 23 HA GLU 23 4.842 -9.935 -1.592 144 1HB GLU 23 HB1 GLU 23 5.149 -9.929 0.791 145 2HB GLU 23 HB2 GLU 23 4.861 -11.615 0.384 146 1HG GLU 23 HG1 GLU 23 2.419 -11.264 0.961 147 2HG GLU 23 HG2 GLU 23 2.835 -9.652 1.526 148 H SER 24 HN SER 24 1.658 -11.199 -0.586 149 HA SER 24 HA SER 24 1.584 -12.834 -3.004 150 1HB SER 24 HB1 SER 24 3.078 -14.177 -1.432 151 2HB SER 24 HB2 SER 24 1.577 -15.039 -1.826 152 HG SER 24 HG SER 24 2.206 -13.523 0.491 153 H GLY 25 HN GLY 25 -0.038 -10.947 -1.143 154 1HA GLY 25 HA1 GLY 25 -2.268 -10.878 -0.276 155 2HA GLY 25 HA2 GLY 25 -2.420 -12.603 -0.606 156 H ALA 26 HN ALA 26 -1.594 -9.839 -2.647 157 HA ALA 26 HA ALA 26 -2.702 -10.582 -5.059 158 1HB ALA 26 HB1 ALA 26 -4.925 -10.919 -4.324 159 2HB ALA 26 HB2 ALA 26 -5.009 -9.211 -4.737 160 3HB ALA 26 HB3 ALA 26 -4.799 -9.701 -3.064 161 H SER 27 HN SER 27 -3.980 -8.385 -6.039 162 HA SER 27 HA SER 27 -1.811 -6.427 -6.036 163 1HB SER 27 HB1 SER 27 -3.286 -7.003 -8.074 164 2HB SER 27 HB2 SER 27 -3.227 -5.261 -7.734 165 HG SER 27 HG SER 27 -5.336 -5.496 -7.601 166 H CYS 28 HN CYS 28 -2.375 -4.089 -5.850 167 HA CYS 28 HA CYS 28 -3.637 -3.663 -3.224 168 1HB CYS 28 HB1 CYS 28 -2.434 -1.575 -3.270 169 2HB CYS 28 HB2 CYS 28 -2.172 -1.703 -4.988 170 H LEU 29 HN LEU 29 -5.643 -2.865 -2.989 171 HA LEU 29 HA LEU 29 -7.302 -2.115 -5.157 172 1HB LEU 29 HB1 LEU 29 -8.769 -1.089 -3.392 173 2HB LEU 29 HB2 LEU 29 -7.441 -1.133 -2.250 174 HG LEU 29 HG LEU 29 -8.113 -3.189 -1.584 175 1HD1 LEU 29 HD11 LEU 29 -10.364 -2.502 -2.314 176 2HD1 LEU 29 HD12 LEU 29 -10.132 -4.225 -2.591 177 3HD1 LEU 29 HD13 LEU 29 -10.037 -3.097 -3.939 178 1HD2 LEU 29 HD21 LEU 29 -7.500 -3.888 -4.475 179 2HD2 LEU 29 HD22 LEU 29 -8.123 -5.096 -3.365 180 3HD2 LEU 29 HD23 LEU 29 -6.590 -4.310 -3.031 181 HA PRO 30 HA PRO 30 -5.603 1.776 -6.288 182 1HB PRO 30 HB1 PRO 30 -6.939 2.340 -8.091 183 2HB PRO 30 HB2 PRO 30 -8.290 2.734 -7.026 184 1HG PRO 30 HG1 PRO 30 -7.902 0.321 -8.634 185 2HG PRO 30 HG2 PRO 30 -9.316 0.778 -7.683 186 1HD PRO 30 HD1 PRO 30 -8.741 -0.745 -6.071 187 2HD PRO 30 HD2 PRO 30 -7.338 -1.228 -7.047 188 CH2 TRP 31 CH2 TRP 31 -2.854 1.889 0.314 189 H TRP 31 HN TRP 31 -5.117 3.320 -4.845 190 HA TRP 31 HA TRP 31 -6.475 3.740 -2.418 191 1HB TRP 31 HB1 TRP 31 -5.219 5.913 -2.323 192 2HB TRP 31 HB2 TRP 31 -4.855 5.772 -4.035 193 HD1 TRP 31 HD1 TRP 31 -2.449 5.068 -4.353 194 HE1 TRP 31 HE1 TRP 31 -0.859 3.554 -3.055 195 HE3 TRP 31 HE3 TRP 31 -5.559 3.560 -0.790 196 HZ2 TRP 31 HZ2 TRP 31 -0.916 1.926 -0.602 197 HZ3 TRP 31 HZ3 TRP 31 -4.860 2.066 1.027 198 HH2 TRP 31 HH2 TRP 31 -2.548 1.231 1.116 199 H ASN 32 HN ASN 32 -6.763 5.608 -5.426 200 HA ASN 32 HA ASN 32 -8.925 7.237 -4.298 201 1HB ASN 32 HB1 ASN 32 -7.403 8.246 -5.969 202 2HB ASN 32 HB2 ASN 32 -9.014 8.165 -6.671 203 1HD2 ASN 32 HD21 ASN 32 -7.979 8.150 -8.821 204 2HD2 ASN 32 HD22 ASN 32 -7.281 6.724 -9.418 205 H SER 33 HN SER 33 -8.984 4.166 -4.973 206 HA SER 33 HA SER 33 -10.997 3.709 -6.923 207 1HB SER 33 HB1 SER 33 -10.507 2.156 -4.319 208 2HB SER 33 HB2 SER 33 -9.655 1.874 -5.846 209 HG SER 33 HG SER 33 -11.327 0.622 -6.233 210 H MET 34 HN MET 34 -13.208 3.336 -6.740 211 HA MET 34 HA MET 34 -14.573 5.180 -4.964 212 1HB MET 34 HB1 MET 34 -16.637 4.196 -6.063 213 2HB MET 34 HB2 MET 34 -15.617 2.992 -6.841 214 1HG MET 34 HG1 MET 34 -14.330 5.367 -7.434 215 2HG MET 34 HG2 MET 34 -16.009 5.830 -7.492 216 1HE MET 34 HE1 MET 34 -16.143 6.487 -10.188 217 2HE MET 34 HE2 MET 34 -17.370 5.796 -9.124 218 3HE MET 34 HE3 MET 34 -17.162 5.165 -10.758 219 H ILE 35 HN ILE 35 -14.038 1.706 -5.024 220 HA ILE 35 HA ILE 35 -15.992 0.987 -3.065 221 HB ILE 35 HB ILE 35 -13.252 -0.278 -3.617 222 1HG1 ILE 35 HG11 ILE 35 -15.066 0.069 -5.523 223 2HG1 ILE 35 HG12 ILE 35 -15.875 -1.272 -4.722 224 1HG2 ILE 35 HG21 ILE 35 -14.525 -2.361 -2.796 225 2HG2 ILE 35 HG22 ILE 35 -15.827 -1.288 -2.291 226 3HG2 ILE 35 HG23 ILE 35 -14.238 -1.160 -1.543 227 1HD1 ILE 35 HD11 ILE 35 -13.168 -1.228 -6.054 228 2HD1 ILE 35 HD12 ILE 35 -14.490 -2.368 -6.284 229 3HD1 ILE 35 HD13 ILE 35 -13.521 -2.426 -4.814 230 H LEU 36 HN LEU 36 -13.083 2.755 -2.739 231 HA LEU 36 HA LEU 36 -12.945 2.155 0.177 232 1HB LEU 36 HB1 LEU 36 -10.813 3.566 0.007 233 2HB LEU 36 HB2 LEU 36 -11.097 3.684 -1.725 234 HG LEU 36 HG LEU 36 -11.130 1.156 -1.813 235 1HD1 LEU 36 HD11 LEU 36 -8.517 1.973 -0.577 236 2HD1 LEU 36 HD12 LEU 36 -9.041 2.794 -2.044 237 3HD1 LEU 36 HD13 LEU 36 -8.814 1.049 -2.046 238 1HD2 LEU 36 HD21 LEU 36 -9.739 0.363 0.410 239 2HD2 LEU 36 HD22 LEU 36 -11.487 0.229 0.256 240 3HD2 LEU 36 HD23 LEU 36 -10.780 1.600 1.105 241 H ILE 37 HN ILE 37 -15.013 3.895 -1.278 242 HA ILE 37 HA ILE 37 -14.723 6.628 -0.781 243 HB ILE 37 HB ILE 37 -17.092 4.724 -0.567 244 1HG1 ILE 37 HG11 ILE 37 -15.935 5.793 -2.723 245 2HG1 ILE 37 HG12 ILE 37 -16.956 7.166 -2.308 246 1HG2 ILE 37 HG21 ILE 37 -17.735 6.381 1.076 247 2HG2 ILE 37 HG22 ILE 37 -18.479 6.953 -0.413 248 3HG2 ILE 37 HG23 ILE 37 -16.991 7.693 0.167 249 1HD1 ILE 37 HD11 ILE 37 -17.858 4.314 -2.838 250 2HD1 ILE 37 HD12 ILE 37 -18.230 5.741 -3.800 251 3HD1 ILE 37 HD13 ILE 37 -18.917 5.563 -2.190 252 H GLY 38 HN GLY 38 -13.900 7.537 0.981 253 1HA GLY 38 HA1 GLY 38 -15.211 7.658 3.472 254 2HA GLY 38 HA2 GLY 38 -13.502 8.031 3.253 255 H LYS 39 HN LYS 39 -12.386 5.670 2.583 256 HA LYS 39 HA LYS 39 -13.134 3.898 4.877 257 1HB LYS 39 HB1 LYS 39 -11.746 3.099 2.277 258 2HB LYS 39 HB2 LYS 39 -13.479 2.957 2.545 259 1HG LYS 39 HG1 LYS 39 -12.668 1.682 4.751 260 2HG LYS 39 HG2 LYS 39 -11.234 1.393 3.769 261 1HD LYS 39 HD1 LYS 39 -12.782 0.539 1.945 262 2HD LYS 39 HD2 LYS 39 -14.097 0.633 3.113 263 1HE LYS 39 HE1 LYS 39 -12.898 -0.889 4.624 264 2HE LYS 39 HE2 LYS 39 -11.528 -0.941 3.515 265 1HZ LYS 39 HZ1 LYS 39 -12.534 -2.455 2.267 266 2HZ LYS 39 HZ2 LYS 39 -13.988 -1.574 2.216 267 3HZ LYS 39 HZ3 LYS 39 -13.672 -2.623 3.518 268 H VAL 40 HN VAL 40 -11.330 2.448 5.556 269 HA VAL 40 HA VAL 40 -9.428 3.383 7.087 270 HB VAL 40 HB VAL 40 -8.578 1.326 4.982 271 1HG1 VAL 40 HG11 VAL 40 -6.928 0.794 6.458 272 2HG1 VAL 40 HG12 VAL 40 -8.020 0.866 7.834 273 3HG1 VAL 40 HG13 VAL 40 -7.276 2.341 7.225 274 1HG2 VAL 40 HG21 VAL 40 -9.653 -0.328 6.610 275 2HG2 VAL 40 HG22 VAL 40 -10.787 0.643 5.681 276 3HG2 VAL 40 HG23 VAL 40 -10.454 1.049 7.361 277 OH TYR 41 OH TYR 41 -4.196 3.595 9.355 278 H TYR 41 HN TYR 41 -7.994 2.616 3.924 279 HA TYR 41 HA TYR 41 -6.640 5.263 4.056 280 1HB TYR 41 HB1 TYR 41 -4.547 4.082 3.245 281 2HB TYR 41 HB2 TYR 41 -5.392 2.546 3.433 282 HD1 TYR 41 HD2 TYR 41 -4.863 5.686 5.401 283 HD2 TYR 41 HD1 TYR 41 -5.035 1.446 5.466 284 HE1 TYR 41 HE2 TYR 41 -4.413 5.714 7.811 285 HE2 TYR 41 HE1 TYR 41 -4.598 1.462 7.879 286 HH TYR 41 HH TYR 41 -3.625 2.838 9.546 287 H THR 42 HN THR 42 -6.818 6.430 2.289 288 HA THR 42 HA THR 42 -6.746 5.178 -0.356 289 HB THR 42 HB THR 42 -9.018 5.041 -0.819 290 HG1 THR 42 HG1 THR 42 -10.039 7.251 0.193 291 1HG2 THR 42 HG21 THR 42 -9.445 4.380 1.518 292 2HG2 THR 42 HG22 THR 42 -10.639 5.610 1.126 293 3HG2 THR 42 HG23 THR 42 -9.223 6.032 2.077 294 H ALA 43 HN ALA 43 -7.256 6.808 -2.097 295 HA ALA 43 HA ALA 43 -5.755 9.266 -1.418 296 1HB ALA 43 HB1 ALA 43 -5.096 8.111 -3.476 297 2HB ALA 43 HB2 ALA 43 -5.904 9.596 -3.965 298 3HB ALA 43 HB3 ALA 43 -6.757 8.061 -4.046 299 H GLN 44 HN GLN 44 -8.957 8.218 -1.758 300 HA GLN 44 HA GLN 44 -9.990 10.946 -2.374 301 1HB GLN 44 HB1 GLN 44 -12.224 9.725 -2.401 302 2HB GLN 44 HB2 GLN 44 -11.373 8.230 -2.021 303 1HG GLN 44 HG1 GLN 44 -10.765 7.951 -4.187 304 2HG GLN 44 HG2 GLN 44 -10.114 9.584 -4.276 305 1HE2 GLN 44 HE21 GLN 44 -12.239 7.704 -5.821 306 2HE2 GLN 44 HE22 GLN 44 -13.418 8.843 -6.260 307 H ASN 45 HN ASN 45 -8.880 9.345 0.171 308 HA ASN 45 HA ASN 45 -10.952 9.845 2.159 309 1HB ASN 45 HB1 ASN 45 -7.954 9.377 2.561 310 2HB ASN 45 HB2 ASN 45 -9.068 8.057 2.249 311 1HD2 ASN 45 HD21 ASN 45 -9.854 7.086 4.109 312 2HD2 ASN 45 HD22 ASN 45 -9.982 7.846 5.620 313 HA PRO 46 HA PRO 46 -10.151 14.133 2.729 314 1HB PRO 46 HB1 PRO 46 -11.664 14.630 4.401 315 2HB PRO 46 HB2 PRO 46 -10.613 13.902 5.618 316 1HG PRO 46 HG1 PRO 46 -13.051 12.798 4.479 317 2HG PRO 46 HG2 PRO 46 -12.031 12.095 5.736 318 1HD PRO 46 HD1 PRO 46 -11.263 10.551 4.236 319 2HD PRO 46 HD2 PRO 46 -12.255 11.281 2.962 320 H SER 47 HN SER 47 -8.572 11.619 4.482 321 HA SER 47 HA SER 47 -6.439 13.500 5.406 322 1HB SER 47 HB1 SER 47 -5.701 11.493 6.791 323 2HB SER 47 HB2 SER 47 -7.081 10.589 6.136 324 HG SER 47 HG SER 47 -8.419 12.332 6.867 325 H ALA 48 HN ALA 48 -6.967 12.172 2.633 326 HA ALA 48 HA ALA 48 -5.179 10.278 1.818 327 1HB ALA 48 HB1 ALA 48 -5.499 13.030 0.507 328 2HB ALA 48 HB2 ALA 48 -6.568 11.651 0.255 329 3HB ALA 48 HB3 ALA 48 -4.897 11.584 -0.301 330 H GLN 49 HN GLN 49 -4.286 13.619 2.638 331 HA GLN 49 HA GLN 49 -1.536 13.462 1.955 332 1HB GLN 49 HB1 GLN 49 -1.284 15.277 3.753 333 2HB GLN 49 HB2 GLN 49 -2.965 14.995 4.196 334 1HG GLN 49 HG1 GLN 49 -3.770 15.785 2.100 335 2HG GLN 49 HG2 GLN 49 -2.191 15.631 1.336 336 1HE2 GLN 49 HE21 GLN 49 -0.532 17.241 1.950 337 2HE2 GLN 49 HE22 GLN 49 -0.994 18.736 2.599 338 H ALA 50 HN ALA 50 -2.989 13.052 5.199 339 HA ALA 50 HA ALA 50 -0.605 12.065 6.430 340 1HB ALA 50 HB1 ALA 50 -2.068 11.463 8.271 341 2HB ALA 50 HB2 ALA 50 -3.456 11.285 7.202 342 3HB ALA 50 HB3 ALA 50 -2.806 12.886 7.542 343 H LEU 51 HN LEU 51 -3.186 10.492 4.670 344 HA LEU 51 HA LEU 51 -2.612 7.787 5.298 345 1HB LEU 51 HB1 LEU 51 -3.732 7.306 3.129 346 2HB LEU 51 HB2 LEU 51 -3.597 8.998 2.681 347 HG LEU 51 HG LEU 51 -5.340 9.624 4.040 348 1HD1 LEU 51 HD11 LEU 51 -6.596 8.056 2.932 349 2HD1 LEU 51 HD12 LEU 51 -6.801 7.472 4.579 350 3HD1 LEU 51 HD13 LEU 51 -5.623 6.716 3.512 351 1HD2 LEU 51 HD21 LEU 51 -4.422 7.488 5.995 352 2HD2 LEU 51 HD22 LEU 51 -5.809 8.533 6.267 353 3HD2 LEU 51 HD23 LEU 51 -4.197 9.224 6.161 354 H GLY 52 HN GLY 52 -1.154 10.062 3.074 355 1HA GLY 52 HA1 GLY 52 1.233 8.367 2.815 356 2HA GLY 52 HA2 GLY 52 1.026 9.975 2.126 357 H LEU 53 HN LEU 53 -1.651 8.788 1.120 358 HA LEU 53 HA LEU 53 -0.664 7.029 -1.058 359 1HB LEU 53 HB1 LEU 53 -3.243 7.071 -1.554 360 2HB LEU 53 HB2 LEU 53 -3.396 7.931 -0.035 361 HG LEU 53 HG LEU 53 -2.445 5.107 -0.510 362 1HD1 LEU 53 HD11 LEU 53 -0.718 6.078 0.906 363 2HD1 LEU 53 HD12 LEU 53 -1.753 5.055 1.889 364 3HD1 LEU 53 HD13 LEU 53 -1.938 6.799 1.939 365 1HD2 LEU 53 HD21 LEU 53 -4.069 4.668 1.301 366 2HD2 LEU 53 HD22 LEU 53 -4.822 5.522 -0.036 367 3HD2 LEU 53 HD23 LEU 53 -4.388 6.394 1.425 368 H GLY 54 HN GLY 54 -2.461 7.661 -3.015 369 1HA GLY 54 HA1 GLY 54 -1.154 9.715 -4.465 370 2HA GLY 54 HA2 GLY 54 -2.633 10.393 -3.781 371 H LYS 55 HN LYS 55 -2.617 10.352 -6.434 372 HA LYS 55 HA LYS 55 -4.787 8.530 -7.064 373 1HB LYS 55 HB1 LYS 55 -3.153 10.113 -9.095 374 2HB LYS 55 HB2 LYS 55 -4.291 10.921 -8.024 375 1HG LYS 55 HG1 LYS 55 -6.069 9.299 -8.829 376 2HG LYS 55 HG2 LYS 55 -4.920 8.725 -10.029 377 1HD LYS 55 HD1 LYS 55 -5.855 11.608 -9.737 378 2HD LYS 55 HD2 LYS 55 -6.431 10.481 -10.960 379 1HE LYS 55 HE1 LYS 55 -3.634 11.609 -10.643 380 2HE LYS 55 HE2 LYS 55 -4.717 11.780 -12.022 381 1HZ LYS 55 HZ1 LYS 55 -3.331 9.315 -11.105 382 2HZ LYS 55 HZ2 LYS 55 -3.124 10.141 -12.581 383 3HZ LYS 55 HZ3 LYS 55 -4.574 9.309 -12.269 384 H HIS 56 HN HIS 56 -3.466 6.578 -6.478 385 HA HIS 56 HA HIS 56 -2.607 5.247 -8.915 386 1HB HIS 56 HB1 HIS 56 -0.531 6.469 -8.472 387 2HB HIS 56 HB2 HIS 56 -0.250 4.793 -8.022 388 HD1 HIS 56 HD1 HIS 56 -0.715 4.459 -5.339 389 HD2 HIS 56 HD2 HIS 56 0.087 8.254 -6.500 390 HE1 HIS 56 HE1 HIS 56 0.126 5.547 -3.333 391 H ASN 57 HN ASN 57 -1.209 3.130 -8.007 392 HA ASN 57 HA ASN 57 -2.966 1.953 -5.873 393 1HB ASN 57 HB1 ASN 57 -3.424 0.984 -8.114 394 2HB ASN 57 HB2 ASN 57 -2.623 -0.227 -7.118 395 1HD2 ASN 57 HD21 ASN 57 -1.040 -1.288 -8.282 396 2HD2 ASN 57 HD22 ASN 57 -0.054 -0.581 -9.470 397 OH TYR 58 OH TYR 58 4.564 4.060 -9.930 398 H TYR 58 HN TYR 58 -0.146 3.195 -5.976 399 HA TYR 58 HA TYR 58 1.786 1.206 -5.389 400 1HB TYR 58 HB1 TYR 58 2.852 3.219 -4.092 401 2HB TYR 58 HB2 TYR 58 1.468 4.111 -4.650 402 HD1 TYR 58 HD2 TYR 58 3.940 1.707 -6.117 403 HD2 TYR 58 HD1 TYR 58 1.754 5.318 -6.625 404 HE1 TYR 58 HE2 TYR 58 4.999 2.048 -8.304 405 HE2 TYR 58 HE1 TYR 58 2.804 5.647 -8.816 406 HH TYR 58 HH TYR 58 4.747 3.196 -10.304 407 H CYS 59 HN CYS 59 2.787 0.698 -3.394 408 HA CYS 59 HA CYS 59 0.814 0.261 -1.241 409 1HB CYS 59 HB1 CYS 59 2.624 -1.185 -0.349 410 2HB CYS 59 HB2 CYS 59 3.707 -0.611 -1.580 411 NH1 ARG 60 NH1 ARG 60 3.173 8.013 -1.284 412 NH2 ARG 60 NH2 ARG 60 4.912 6.854 -0.461 413 H ARG 60 HN ARG 60 1.077 1.057 0.859 414 HA ARG 60 HA ARG 60 3.391 2.857 1.368 415 1HB ARG 60 HB1 ARG 60 1.950 4.746 1.950 416 2HB ARG 60 HB2 ARG 60 0.505 3.749 1.847 417 1HG ARG 60 HG1 ARG 60 0.557 5.037 -0.177 418 2HG ARG 60 HG2 ARG 60 1.058 3.416 -0.631 419 1HD ARG 60 HD1 ARG 60 2.635 4.890 -1.664 420 2HD ARG 60 HD2 ARG 60 3.470 4.220 -0.262 421 HE ARG 60 HE ARG 60 2.333 6.521 0.752 422 1HH1 ARG 60 HH11 ARG 60 2.177 8.129 -1.345 423 2HH1 ARG 60 HH12 ARG 60 3.781 8.655 -1.739 424 1HH2 ARG 60 HH21 ARG 60 5.240 6.099 0.098 425 2HH2 ARG 60 HH22 ARG 60 5.556 7.464 -0.906 426 H ASN 61 HN ASN 61 3.206 3.752 3.674 427 HA ASN 61 HA ASN 61 2.115 1.617 5.474 428 1HB ASN 61 HB1 ASN 61 4.043 2.472 7.004 429 2HB ASN 61 HB2 ASN 61 4.719 3.206 5.587 430 1HD2 ASN 61 HD21 ASN 61 6.513 1.832 5.399 431 2HD2 ASN 61 HD22 ASN 61 6.370 0.160 5.152 432 HA PRO 62 HA PRO 62 0.262 5.888 6.296 433 1HB PRO 62 HB1 PRO 62 -1.878 5.696 5.487 434 2HB PRO 62 HB2 PRO 62 -2.245 4.411 6.637 435 1HG PRO 62 HG1 PRO 62 -1.685 4.163 3.796 436 2HG PRO 62 HG2 PRO 62 -2.131 2.887 4.927 437 1HD PRO 62 HD1 PRO 62 0.021 2.114 4.891 438 2HD PRO 62 HD2 PRO 62 0.464 3.419 3.785 439 H ASP 63 HN ASP 63 -0.008 2.707 7.768 440 HA ASP 63 HA ASP 63 -0.778 3.889 10.372 441 1HB ASP 63 HB1 ASP 63 -1.416 1.719 10.919 442 2HB ASP 63 HB2 ASP 63 0.071 1.025 10.294 443 H GLY 64 HN GLY 64 2.049 3.184 8.661 444 1HA GLY 64 HA1 GLY 64 3.689 3.754 11.056 445 2HA GLY 64 HA2 GLY 64 4.274 3.703 9.393 446 H ASP 65 HN ASP 65 2.967 1.203 8.835 447 HA ASP 65 HA ASP 65 3.864 -0.850 10.640 448 1HB ASP 65 HB1 ASP 65 3.549 -1.864 7.964 449 2HB ASP 65 HB2 ASP 65 2.358 -0.587 8.161 450 H ALA 66 HN ALA 66 5.100 -2.712 9.098 451 HA ALA 66 HA ALA 66 7.848 -1.792 9.130 452 1HB ALA 66 HB1 ALA 66 8.248 -4.120 8.089 453 2HB ALA 66 HB2 ALA 66 6.500 -4.335 8.075 454 3HB ALA 66 HB3 ALA 66 7.351 -4.150 9.604 455 H LYS 67 HN LYS 67 7.058 -3.675 6.345 456 HA LYS 67 HA LYS 67 8.106 -1.498 4.670 457 1HB LYS 67 HB1 LYS 67 8.885 -3.815 4.219 458 2HB LYS 67 HB2 LYS 67 7.960 -3.252 2.836 459 1HG LYS 67 HG1 LYS 67 6.748 -5.167 3.055 460 2HG LYS 67 HG2 LYS 67 6.002 -4.397 4.449 461 1HD LYS 67 HD1 LYS 67 6.843 -6.568 5.160 462 2HD LYS 67 HD2 LYS 67 7.861 -5.332 5.885 463 1HE LYS 67 HE1 LYS 67 9.696 -6.092 4.800 464 2HE LYS 67 HE2 LYS 67 8.859 -6.072 3.249 465 1HZ LYS 67 HZ1 LYS 67 9.658 -8.302 4.529 466 2HZ LYS 67 HZ2 LYS 67 8.412 -8.249 3.363 467 3HZ LYS 67 HZ3 LYS 67 8.029 -8.206 5.023 468 HA PRO 68 HA PRO 68 4.248 0.321 3.644 469 1HB PRO 68 HB1 PRO 68 4.790 1.674 1.824 470 2HB PRO 68 HB2 PRO 68 5.039 0.290 0.759 471 1HG PRO 68 HG1 PRO 68 7.054 1.896 2.177 472 2HG PRO 68 HG2 PRO 68 7.307 0.657 0.944 473 1HD PRO 68 HD1 PRO 68 7.972 -0.827 2.558 474 2HD PRO 68 HD2 PRO 68 7.732 0.424 3.794 475 CH2 TRP 69 CH2 TRP 69 -3.346 -0.493 4.262 476 H TRP 69 HN TRP 69 2.497 -0.823 3.527 477 HA TRP 69 HA TRP 69 2.350 -3.313 1.869 478 1HB TRP 69 HB1 TRP 69 1.903 -3.515 4.320 479 2HB TRP 69 HB2 TRP 69 0.419 -3.814 3.419 480 HD1 TRP 69 HD1 TRP 69 2.209 -0.971 5.346 481 HE1 TRP 69 HE1 TRP 69 0.332 0.561 6.166 482 HE3 TRP 69 HE3 TRP 69 -1.632 -3.108 3.001 483 HZ2 TRP 69 HZ2 TRP 69 -2.540 0.996 5.566 484 HZ3 TRP 69 HZ3 TRP 69 -3.874 -2.094 2.957 485 HH2 TRP 69 HH2 TRP 69 -4.346 -0.066 4.260 486 H CYS 70 HN CYS 70 -0.298 -3.626 1.727 487 HA CYS 70 HA CYS 70 -1.729 -1.288 0.860 488 1HB CYS 70 HB1 CYS 70 -0.014 -1.655 -0.971 489 2HB CYS 70 HB2 CYS 70 -1.669 -1.563 -1.484 490 H HIS 71 HN HIS 71 -3.799 -1.797 -0.047 491 HA HIS 71 HA HIS 71 -5.132 -3.906 1.344 492 1HB HIS 71 HB1 HIS 71 -6.977 -3.279 -0.316 493 2HB HIS 71 HB2 HIS 71 -5.865 -2.143 -1.017 494 HD1 HIS 71 HD1 HIS 71 -7.433 -2.838 2.242 495 HD2 HIS 71 HD2 HIS 71 -5.917 0.246 0.133 496 HE1 HIS 71 HE1 HIS 71 -8.268 -0.866 3.312 497 H VAL 72 HN VAL 72 -6.283 -5.656 0.519 498 HA VAL 72 HA VAL 72 -5.707 -6.566 -2.238 499 HB VAL 72 HB VAL 72 -5.129 -8.887 -1.304 500 1HG1 VAL 72 HG11 VAL 72 -3.257 -6.575 -0.745 501 2HG1 VAL 72 HG12 VAL 72 -3.420 -7.438 -2.269 502 3HG1 VAL 72 HG13 VAL 72 -2.763 -8.262 -0.858 503 1HG2 VAL 72 HG21 VAL 72 -4.901 -9.249 0.928 504 2HG2 VAL 72 HG22 VAL 72 -5.842 -7.779 1.109 505 3HG2 VAL 72 HG23 VAL 72 -4.090 -7.709 1.188 506 H LEU 73 HN LEU 73 -7.183 -8.022 -2.999 507 HA LEU 73 HA LEU 73 -9.677 -8.163 -1.383 508 1HB LEU 73 HB1 LEU 73 -9.473 -9.049 -4.271 509 2HB LEU 73 HB2 LEU 73 -9.415 -7.328 -3.907 510 HG LEU 73 HG LEU 73 -11.540 -8.557 -2.373 511 1HD1 LEU 73 HD11 LEU 73 -11.273 -6.145 -3.080 512 2HD1 LEU 73 HD12 LEU 73 -12.858 -6.816 -3.457 513 3HD1 LEU 73 HD13 LEU 73 -11.652 -6.636 -4.728 514 1HD2 LEU 73 HD21 LEU 73 -11.455 -9.135 -5.349 515 2HD2 LEU 73 HD22 LEU 73 -12.963 -9.091 -4.440 516 3HD2 LEU 73 HD23 LEU 73 -11.726 -10.275 -4.033 517 H LYS 74 HN LYS 74 -10.185 -9.976 -0.392 518 HA LYS 74 HA LYS 74 -8.952 -12.523 -1.342 519 1HB LYS 74 HB1 LYS 74 -10.282 -12.603 1.291 520 2HB LYS 74 HB2 LYS 74 -9.070 -11.328 1.216 521 1HG LYS 74 HG1 LYS 74 -7.943 -13.627 -0.060 522 2HG LYS 74 HG2 LYS 74 -8.664 -14.179 1.448 523 1HD LYS 74 HD1 LYS 74 -7.108 -13.094 2.719 524 2HD LYS 74 HD2 LYS 74 -7.188 -11.639 1.732 525 1HE LYS 74 HE1 LYS 74 -4.977 -12.500 1.431 526 2HE LYS 74 HE2 LYS 74 -5.855 -12.919 -0.039 527 1HZ LYS 74 HZ1 LYS 74 -4.776 -14.874 0.570 528 2HZ LYS 74 HZ2 LYS 74 -6.355 -15.101 1.158 529 3HZ LYS 74 HZ3 LYS 74 -5.105 -14.668 2.225 530 H ASN 75 HN ASN 75 -10.505 -14.406 -0.257 531 HA ASN 75 HA ASN 75 -12.648 -14.712 -2.052 532 1HB ASN 75 HB1 ASN 75 -13.383 -16.553 -0.555 533 2HB ASN 75 HB2 ASN 75 -12.421 -15.891 0.763 534 1HD2 ASN 75 HD21 ASN 75 -12.339 -18.132 -1.753 535 2HD2 ASN 75 HD22 ASN 75 -10.659 -18.329 -1.855 536 NH1 ARG 76 NH2 ARG 76 -21.329 -12.935 0.671 537 NH2 ARG 76 NH1 ARG 76 -21.221 -15.173 0.507 538 H ARG 76 HN ARG 76 -13.987 -12.946 -2.182 539 HA ARG 76 HA ARG 76 -15.796 -11.553 -1.654 540 1HB ARG 76 HB1 ARG 76 -16.908 -13.124 0.542 541 2HB ARG 76 HB2 ARG 76 -16.364 -14.197 -0.742 542 1HG ARG 76 HG1 ARG 76 -17.606 -12.704 -2.384 543 2HG ARG 76 HG2 ARG 76 -18.292 -11.867 -0.995 544 1HD ARG 76 HD1 ARG 76 -18.527 -14.859 -1.476 545 2HD ARG 76 HD2 ARG 76 -19.788 -13.682 -1.860 546 HE ARG 76 HE ARG 76 -18.767 -13.892 0.944 547 1HH1 ARG 76 HH21 ARG 76 -20.857 -12.056 0.626 548 2HH1 ARG 76 HH22 ARG 76 -22.303 -12.972 0.873 549 1HH2 ARG 76 HH11 ARG 76 -20.670 -15.987 0.340 550 2HH2 ARG 76 HH12 ARG 76 -22.193 -15.260 0.705 551 NH1 ARG 77 NH2 ARG 77 -10.898 -12.184 7.525 552 NH2 ARG 77 NH1 ARG 77 -9.236 -10.705 7.152 553 H ARG 77 HN ARG 77 -13.256 -11.577 0.134 554 HA ARG 77 HA ARG 77 -14.426 -9.736 2.169 555 1HB ARG 77 HB1 ARG 77 -12.261 -11.826 2.718 556 2HB ARG 77 HB2 ARG 77 -13.950 -12.022 3.176 557 1HG ARG 77 HG1 ARG 77 -13.855 -10.102 4.653 558 2HG ARG 77 HG2 ARG 77 -12.257 -9.662 4.067 559 1HD ARG 77 HD1 ARG 77 -12.008 -12.338 4.915 560 2HD ARG 77 HD2 ARG 77 -12.973 -11.535 6.160 561 HE ARG 77 HE ARG 77 -10.730 -9.860 5.438 562 1HH1 ARG 77 HH21 ARG 77 -11.790 -12.546 7.267 563 2HH1 ARG 77 HH22 ARG 77 -10.403 -12.580 8.295 564 1HH2 ARG 77 HH11 ARG 77 -8.868 -9.947 6.613 565 2HH2 ARG 77 HH12 ARG 77 -8.711 -11.074 7.911 566 H LEU 78 HN LEU 78 -12.968 -8.137 2.934 567 HA LEU 78 HA LEU 78 -10.867 -7.462 0.955 568 1HB LEU 78 HB1 LEU 78 -11.730 -5.828 3.391 569 2HB LEU 78 HB2 LEU 78 -12.672 -5.828 1.906 570 HG LEU 78 HG LEU 78 -9.776 -5.371 1.495 571 1HD1 LEU 78 HD11 LEU 78 -10.784 -3.498 0.091 572 2HD1 LEU 78 HD12 LEU 78 -12.366 -4.099 0.577 573 3HD1 LEU 78 HD13 LEU 78 -11.284 -5.126 -0.357 574 1HD2 LEU 78 HD21 LEU 78 -11.178 -3.884 3.551 575 2HD2 LEU 78 HD22 LEU 78 -10.748 -2.820 2.216 576 3HD2 LEU 78 HD23 LEU 78 -9.505 -3.746 3.035 577 H THR 79 HN THR 79 -8.735 -6.780 1.654 578 HA THR 79 HA THR 79 -7.832 -7.466 4.363 579 HB THR 79 HB THR 79 -5.990 -9.000 2.888 580 HG1 THR 79 HG1 THR 79 -7.840 -8.482 1.241 581 1HG2 THR 79 HG21 THR 79 -7.098 -10.927 3.834 582 2HG2 THR 79 HG22 THR 79 -8.680 -10.160 3.745 583 3HG2 THR 79 HG23 THR 79 -7.514 -9.640 4.958 584 CH2 TRP 80 CH2 TRP 80 -1.229 -4.555 8.150 585 H TRP 80 HN TRP 80 -5.145 -7.680 3.921 586 HA TRP 80 HA TRP 80 -4.003 -5.744 2.113 587 1HB TRP 80 HB1 TRP 80 -5.269 -4.212 3.705 588 2HB TRP 80 HB2 TRP 80 -3.541 -3.935 3.709 589 HD1 TRP 80 HD1 TRP 80 -6.323 -5.493 5.900 590 HE1 TRP 80 HE1 TRP 80 -5.322 -5.590 8.252 591 HE3 TRP 80 HE3 TRP 80 -1.676 -4.224 4.820 592 HZ2 TRP 80 HZ2 TRP 80 -2.765 -5.125 9.526 593 HZ3 TRP 80 HZ3 TRP 80 0.078 -4.012 6.544 594 HH2 TRP 80 HH2 TRP 80 -0.459 -4.478 8.907 595 H GLU 81 HN GLU 81 -1.857 -6.322 1.928 596 HA GLU 81 HA GLU 81 -0.606 -7.459 4.421 597 1HB GLU 81 HB1 GLU 81 0.553 -8.872 2.284 598 2HB GLU 81 HB2 GLU 81 -1.143 -8.767 1.827 599 1HG GLU 81 HG1 GLU 81 -0.476 -9.541 4.667 600 2HG GLU 81 HG2 GLU 81 -0.274 -10.748 3.407 601 OH TYR 82 OH TYR 82 3.885 -5.771 9.622 602 H TYR 82 HN TYR 82 1.778 -7.673 4.225 603 HA TYR 82 HA TYR 82 2.949 -5.160 3.633 604 1HB TYR 82 HB1 TYR 82 5.143 -6.555 3.679 605 2HB TYR 82 HB2 TYR 82 4.122 -7.972 3.908 606 HD1 TYR 82 HD1 TYR 82 4.048 -4.475 5.296 607 HD2 TYR 82 HD2 TYR 82 4.143 -8.645 6.147 608 HE1 TYR 82 HE1 TYR 82 3.907 -3.993 7.693 609 HE2 TYR 82 HE2 TYR 82 4.004 -8.148 8.549 610 HH TYR 82 HH TYR 82 3.339 -4.982 9.740 611 H CYS 83 HN CYS 83 3.854 -4.344 1.786 612 HA CYS 83 HA CYS 83 3.184 -5.733 -0.667 613 1HB CYS 83 HB1 CYS 83 5.040 -3.379 -0.440 614 2HB CYS 83 HB2 CYS 83 3.349 -3.160 -0.127 615 H ASP 84 HN ASP 84 4.779 -6.363 -2.300 616 HA ASP 84 HA ASP 84 7.027 -7.712 -0.999 617 1HB ASP 84 HB1 ASP 84 6.720 -7.489 -4.011 618 2HB ASP 84 HB2 ASP 84 5.576 -8.468 -3.100 619 H VAL 85 HN VAL 85 7.785 -5.499 -0.275 620 HA VAL 85 HA VAL 85 9.378 -4.098 -2.361 621 HB VAL 85 HB VAL 85 9.144 -3.361 0.597 622 1HG1 VAL 85 HG11 VAL 85 9.413 -1.042 -0.437 623 2HG1 VAL 85 HG12 VAL 85 9.749 -1.850 -1.969 624 3HG1 VAL 85 HG13 VAL 85 10.819 -2.092 -0.590 625 1HG2 VAL 85 HG21 VAL 85 6.899 -3.156 0.223 626 2HG2 VAL 85 HG22 VAL 85 7.085 -3.283 -1.525 627 3HG2 VAL 85 HG23 VAL 85 7.337 -1.736 -0.722 628 HA PRO 86 HA PRO 86 12.717 -6.802 -1.010 629 1HB PRO 86 HB1 PRO 86 13.819 -6.998 -3.027 630 2HB PRO 86 HB2 PRO 86 14.433 -5.351 -2.876 631 1HG PRO 86 HG1 PRO 86 12.325 -6.303 -4.626 632 2HG PRO 86 HG2 PRO 86 12.958 -4.660 -4.492 633 1HD PRO 86 HD1 PRO 86 11.054 -4.011 -3.419 634 2HD PRO 86 HD2 PRO 86 10.424 -5.662 -3.546 635 H SER 87 HN SER 87 13.326 -6.127 0.973 636 HA SER 87 HA SER 87 14.036 -3.489 1.749 637 1HB SER 87 HB1 SER 87 15.091 -6.109 2.954 638 2HB SER 87 HB2 SER 87 13.518 -5.386 3.352 639 HG SER 87 HG SER 87 15.716 -4.776 4.513 640 H CYS 88 HN CYS 88 16.112 -2.637 2.353 641 HA CYS 88 HA CYS 88 18.130 -3.226 0.283 642 1HB CYS 88 HB1 CYS 88 19.134 -1.191 0.949 643 2HB CYS 88 HB2 CYS 88 18.575 -1.332 2.594 644 H SER 89 HN SER 89 17.605 -3.891 3.640 645 HA SER 89 HA SER 89 18.771 -5.188 5.195 646 1HB SER 89 HB1 SER 89 20.562 -6.778 4.066 647 2HB SER 89 HB2 SER 89 19.908 -6.151 2.539 648 HG SER 89 HG SER 89 18.810 -8.043 3.652 649 H THR 90 HN THR 90 21.489 -4.710 2.953 650 HA THR 90 HA THR 90 22.714 -2.801 4.866 651 HB THR 90 HB THR 90 24.232 -5.319 3.941 652 HG1 THR 90 HG1 THR 90 23.087 -4.741 6.477 653 1HG2 THR 90 HG21 THR 90 25.659 -4.700 5.921 654 2HG2 THR 90 HG22 THR 90 24.624 -3.312 6.239 655 3HG2 THR 90 HG23 THR 90 25.613 -3.357 4.783 656 1H2 AHA 91 HA1 ACA 91 -7.867 -2.649 4.060 657 2H2 AHA 91 HA2 ACA 91 -6.806 -3.891 4.682 658 1H3 AHA 91 HB1 ACA 91 -7.341 -2.857 7.017 659 2H3 AHA 91 HB2 ACA 91 -7.882 -1.459 6.099 660 1H4 AHA 91 HG1 ACA 91 -5.763 -0.851 5.560 661 2H4 AHA 91 HG2 ACA 91 -5.291 -2.502 5.185 662 1H5 AHA 91 HD1 ACA 91 -5.070 -2.988 7.609 663 2H5 AHA 91 HD2 ACA 91 -5.538 -1.333 7.982 664 1H6 AHA 91 HE1 ACA 91 -3.598 -0.464 6.827 665 2H6 AHA 91 HE2 ACA 91 -3.164 -2.065 6.240 666 1H AHA 91 HZ1 ACA 91 -3.387 -2.213 9.012 667 2H AHA 91 HZ2 ACA 91 -2.469 -0.816 8.661 668 3H AHA 91 HZ3 ACA 91 -1.977 -2.345 8.063
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