NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27230 | 2png | 15449 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HT1 GLY 1 -7.691 3.329 16.872 2 2H GLY 1 HT2 GLY 1 -7.950 3.348 18.522 3 3H GLY 1 HT3 GLY 1 -9.204 3.773 17.469 4 1HA GLY 1 HA1 GLY 1 -7.950 1.113 17.855 5 2HA GLY 1 HA2 GLY 1 -9.604 1.555 18.254 6 H ASP 2 HN ASP 2 -10.262 3.006 15.910 7 HA ASP 2 HA ASP 2 -9.866 1.028 13.800 8 1HB ASP 2 HB2 ASP 2 -12.069 0.592 14.800 9 2HB ASP 2 HB1 ASP 2 -12.502 2.285 14.616 10 H GLY 3 HN GLY 3 -9.773 1.915 11.713 11 1HA GLY 3 HA2 GLY 3 -9.086 4.724 11.768 12 2HA GLY 3 HA1 GLY 3 -8.721 3.568 10.495 13 H GLU 4 HN GLU 4 -10.499 6.135 11.291 14 HA GLU 4 HA GLU 4 -12.935 5.589 9.813 15 1HB GLU 4 HB2 GLU 4 -11.742 8.114 10.967 16 2HB GLU 4 HB1 GLU 4 -13.287 8.056 10.131 17 1HG GLU 4 HG2 GLU 4 -12.652 6.457 12.587 18 2HG GLU 4 HG1 GLU 4 -13.398 8.053 12.621 19 H ALA 5 HN ALA 5 -9.810 6.944 9.346 20 HA ALA 5 HA ALA 5 -10.429 7.471 6.541 21 1HB ALA 5 HB1 ALA 5 -10.163 9.590 7.732 22 2HB ALA 5 HB2 ALA 5 -8.814 9.320 6.631 23 3HB ALA 5 HB3 ALA 5 -8.606 9.054 8.360 24 H GLN 6 HN GLN 6 -8.677 7.018 5.140 25 HA GLN 6 HA GLN 6 -6.347 5.768 6.259 26 1HB GLN 6 HB2 GLN 6 -7.854 3.884 6.066 27 2HB GLN 6 HB1 GLN 6 -8.291 4.348 4.432 28 1HG GLN 6 HG2 GLN 6 -6.114 3.775 3.625 29 2HG GLN 6 HG1 GLN 6 -5.532 3.511 5.266 30 1HE2 GLN 6 HE21 GLN 6 -6.114 1.647 6.352 31 2HE2 GLN 6 HE22 GLN 6 -6.794 0.320 5.461 32 H ARG 7 HN ARG 7 -4.641 5.836 4.883 33 HA ARG 7 HA ARG 7 -4.972 7.661 2.607 34 1HB ARG 7 HB2 ARG 7 -2.600 8.182 2.919 35 2HB ARG 7 HB1 ARG 7 -3.527 8.495 4.379 36 1HG ARG 7 HG2 ARG 7 -2.727 6.404 5.346 37 2HG ARG 7 HG1 ARG 7 -1.815 6.064 3.878 38 1HD ARG 7 HD2 ARG 7 -0.360 6.969 5.598 39 2HD ARG 7 HD1 ARG 7 -0.486 8.086 4.244 40 HE ARG 7 HE ARG 7 -2.191 9.272 5.670 41 1HH1 ARG 7 HH11 ARG 7 0.409 7.343 7.130 42 2HH1 ARG 7 HH12 ARG 7 0.615 8.339 8.476 43 1HH2 ARG 7 HH21 ARG 7 -2.000 10.621 7.623 44 2HH2 ARG 7 HH22 ARG 7 -0.835 10.212 8.800 45 H ASP 8 HN ASP 8 -3.316 7.310 0.879 46 HA ASP 8 HA ASP 8 -3.314 4.586 -0.042 47 1HB ASP 8 HB2 ASP 8 -1.620 6.908 -1.043 48 2HB ASP 8 HB1 ASP 8 -1.840 5.374 -1.847 49 H LEU 9 HN LEU 9 -1.573 3.182 0.013 50 HA LEU 9 HA LEU 9 0.186 3.553 2.181 51 1HB LEU 9 HB2 LEU 9 0.244 1.470 0.012 52 2HB LEU 9 HB1 LEU 9 1.168 1.407 1.504 53 HG LEU 9 HG LEU 9 -1.840 1.354 1.291 54 1HD1 LEU 9 HD11 LEU 9 0.122 -0.801 2.025 55 2HD1 LEU 9 HD12 LEU 9 -0.844 -0.714 0.545 56 3HD1 LEU 9 HD13 LEU 9 -1.635 -0.919 2.110 57 1HD2 LEU 9 HD21 LEU 9 -0.037 1.129 3.688 58 2HD2 LEU 9 HD22 LEU 9 -1.795 0.929 3.690 59 3HD2 LEU 9 HD23 LEU 9 -1.076 2.496 3.292 60 H VAL 10 HN VAL 10 0.328 4.702 -0.905 61 HA VAL 10 HA VAL 10 3.124 4.705 -1.308 62 HB VAL 10 HB VAL 10 0.960 6.501 -2.458 63 1HG1 VAL 10 HG11 VAL 10 3.134 7.630 -2.603 64 2HG1 VAL 10 HG12 VAL 10 2.571 7.123 -4.195 65 3HG1 VAL 10 HG13 VAL 10 3.828 6.202 -3.370 66 1HG2 VAL 10 HG21 VAL 10 0.725 4.173 -3.009 67 2HG2 VAL 10 HG22 VAL 10 2.397 4.110 -3.574 68 3HG2 VAL 10 HG23 VAL 10 1.207 5.093 -4.432 69 H LYS 11 HN LYS 11 0.898 6.776 0.449 70 HA LYS 11 HA LYS 11 2.952 8.774 0.843 71 1HB LYS 11 HB2 LYS 11 0.141 8.560 1.883 72 2HB LYS 11 HB1 LYS 11 1.212 9.875 2.355 73 1HG LYS 11 HG2 LYS 11 -0.168 10.770 0.658 74 2HG LYS 11 HG1 LYS 11 1.352 10.411 -0.152 75 1HD LYS 11 HD2 LYS 11 0.376 8.287 -0.962 76 2HD LYS 11 HD1 LYS 11 -1.140 8.732 -0.172 77 1HE LYS 11 HE2 LYS 11 0.200 10.258 -2.407 78 2HE LYS 11 HE1 LYS 11 -1.193 9.195 -2.581 79 1HZ LYS 11 HZ1 LYS 11 -2.401 10.795 -1.023 80 2HZ LYS 11 HZ2 LYS 11 -2.009 11.342 -2.523 81 3HZ LYS 11 HZ3 LYS 11 -1.068 11.838 -1.213 82 H ALA 12 HN ALA 12 2.706 5.882 1.931 83 HA ALA 12 HA ALA 12 3.728 6.535 4.601 84 1HB ALA 12 HB1 ALA 12 2.954 4.323 5.343 85 2HB ALA 12 HB2 ALA 12 2.291 4.015 3.739 86 3HB ALA 12 HB3 ALA 12 1.612 5.298 4.745 87 H VAL 13 HN VAL 13 3.768 3.825 2.285 88 HA VAL 13 HA VAL 13 6.311 2.882 3.089 89 HB VAL 13 HB VAL 13 4.657 2.253 0.633 90 1HG1 VAL 13 HG11 VAL 13 6.961 1.663 0.246 91 2HG1 VAL 13 HG12 VAL 13 5.996 0.199 0.466 92 3HG1 VAL 13 HG13 VAL 13 7.035 0.780 1.775 93 1HG2 VAL 13 HG21 VAL 13 3.990 0.247 1.880 94 2HG2 VAL 13 HG22 VAL 13 3.515 1.731 2.712 95 3HG2 VAL 13 HG23 VAL 13 4.915 0.817 3.271 96 H ALA 14 HN ALA 14 5.181 4.604 0.190 97 HA ALA 14 HA ALA 14 7.764 4.757 -0.953 98 1HB ALA 14 HB1 ALA 14 6.788 6.435 -2.509 99 2HB ALA 14 HB2 ALA 14 5.336 6.484 -1.489 100 3HB ALA 14 HB3 ALA 14 5.757 5.008 -2.333 101 H HIS 15 HN HIS 15 6.043 6.620 1.359 102 HA HIS 15 HA HIS 15 7.730 8.904 1.216 103 1HB HIS 15 HB2 HIS 15 5.413 8.981 2.122 104 2HB HIS 15 HB1 HIS 15 5.949 8.045 3.510 105 HD1 HIS 15 HD1 HIS 15 5.751 9.697 5.355 106 HD2 HIS 15 HD2 HIS 15 7.704 11.290 2.055 107 HE1 HIS 15 HE1 HIS 15 6.574 11.958 6.076 108 HE2 HIS 15 HE2 HIS 15 7.977 12.757 4.159 109 H ILE 16 HN ILE 16 8.099 5.797 2.648 110 HA ILE 16 HA ILE 16 10.123 6.500 4.553 111 HB ILE 16 HB ILE 16 9.666 3.832 3.152 112 1HG1 ILE 16 HG12 ILE 16 7.646 4.474 4.361 113 2HG1 ILE 16 HG11 ILE 16 8.433 3.129 5.175 114 1HG2 ILE 16 HG21 ILE 16 11.870 3.940 4.142 115 2HG2 ILE 16 HG22 ILE 16 10.853 2.819 5.048 116 3HG2 ILE 16 HG23 ILE 16 11.181 4.428 5.691 117 1HD1 ILE 16 HD11 ILE 16 7.571 4.740 6.766 118 2HD1 ILE 16 HD12 ILE 16 8.522 6.020 6.015 119 3HD1 ILE 16 HD13 ILE 16 9.333 4.689 6.842 120 H LEU 17 HN LEU 17 9.987 5.724 1.186 121 HA LEU 17 HA LEU 17 12.864 5.721 0.772 122 1HB LEU 17 HB2 LEU 17 10.513 5.585 -1.107 123 2HB LEU 17 HB1 LEU 17 12.188 5.518 -1.620 124 HG LEU 17 HG LEU 17 11.018 3.503 0.285 125 1HD1 LEU 17 HD11 LEU 17 9.728 3.476 -1.792 126 2HD1 LEU 17 HD12 LEU 17 10.746 2.042 -1.650 127 3HD1 LEU 17 HD13 LEU 17 11.223 3.360 -2.722 128 1HD2 LEU 17 HD21 LEU 17 13.435 3.705 0.220 129 2HD2 LEU 17 HD22 LEU 17 13.417 3.505 -1.535 130 3HD2 LEU 17 HD23 LEU 17 12.910 2.178 -0.487 131 H GLY 18 HN GLY 18 10.435 7.960 1.052 132 1HA GLY 18 HA2 GLY 18 10.543 10.275 0.925 133 2HA GLY 18 HA1 GLY 18 12.120 10.124 0.154 134 H ILE 19 HN ILE 19 9.314 8.417 -1.005 135 HA ILE 19 HA ILE 19 9.176 10.269 -3.243 136 HB ILE 19 HB ILE 19 8.285 8.157 -4.462 137 1HG1 ILE 19 HG12 ILE 19 10.141 6.914 -2.440 138 2HG1 ILE 19 HG11 ILE 19 8.434 6.571 -2.688 139 1HG2 ILE 19 HG21 ILE 19 11.227 8.716 -4.073 140 2HG2 ILE 19 HG22 ILE 19 10.142 9.478 -5.244 141 3HG2 ILE 19 HG23 ILE 19 10.554 7.772 -5.404 142 1HD1 ILE 19 HD11 ILE 19 10.648 5.975 -4.632 143 2HD1 ILE 19 HD12 ILE 19 8.936 5.623 -4.874 144 3HD1 ILE 19 HD13 ILE 19 9.833 4.811 -3.589 145 H ARG 20 HN ARG 20 7.173 9.920 -4.517 146 HA ARG 20 HA ARG 20 4.781 8.919 -3.384 147 1HB ARG 20 HB2 ARG 20 5.161 10.883 -1.864 148 2HB ARG 20 HB1 ARG 20 5.075 11.919 -3.285 149 1HG ARG 20 HG2 ARG 20 2.800 10.864 -3.698 150 2HG ARG 20 HG1 ARG 20 2.921 10.260 -2.050 151 1HD ARG 20 HD2 ARG 20 3.076 13.151 -2.877 152 2HD ARG 20 HD1 ARG 20 1.702 12.365 -2.112 153 HE ARG 20 HE ARG 20 3.646 11.931 -0.329 154 1HH1 ARG 20 HH11 ARG 20 2.954 14.908 -2.128 155 2HH1 ARG 20 HH12 ARG 20 3.134 15.935 -0.778 156 1HH2 ARG 20 HH21 ARG 20 3.965 13.385 1.543 157 2HH2 ARG 20 HH22 ARG 20 3.772 15.044 1.307 158 H ASP 21 HN ASP 21 6.297 11.426 -5.287 159 HA ASP 21 HA ASP 21 4.172 11.425 -7.243 160 1HB ASP 21 HB2 ASP 21 5.001 13.563 -6.618 161 2HB ASP 21 HB1 ASP 21 6.662 13.073 -6.914 162 H LEU 22 HN LEU 22 7.539 10.463 -6.997 163 HA LEU 22 HA LEU 22 8.772 8.942 -8.172 164 1HB LEU 22 HB2 LEU 22 6.058 8.219 -9.277 165 2HB LEU 22 HB1 LEU 22 7.508 7.436 -9.851 166 HG LEU 22 HG LEU 22 6.338 6.046 -8.252 167 1HD1 LEU 22 HD11 LEU 22 8.711 5.861 -8.368 168 2HD1 LEU 22 HD12 LEU 22 8.155 5.586 -6.713 169 3HD1 LEU 22 HD13 LEU 22 8.899 7.124 -7.162 170 1HD2 LEU 22 HD21 LEU 22 6.156 6.650 -5.899 171 2HD2 LEU 22 HD22 LEU 22 5.240 7.769 -6.917 172 3HD2 LEU 22 HD23 LEU 22 6.806 8.247 -6.262 173 H ALA 23 HN ALA 23 8.492 11.627 -9.071 174 HA ALA 23 HA ALA 23 8.080 12.149 -11.696 175 1HB ALA 23 HB1 ALA 23 9.612 14.009 -11.509 176 2HB ALA 23 HB2 ALA 23 10.364 13.272 -10.093 177 3HB ALA 23 HB3 ALA 23 8.693 13.834 -10.012 178 H GLY 24 HN GLY 24 10.938 10.870 -10.386 179 1HA GLY 24 HA2 GLY 24 11.636 9.890 -13.064 180 2HA GLY 24 HA1 GLY 24 12.884 10.742 -12.145 181 H ILE 25 HN ILE 25 10.497 8.540 -10.819 182 HA ILE 25 HA ILE 25 12.694 6.690 -10.289 183 HB ILE 25 HB ILE 25 10.320 7.121 -8.418 184 1HG1 ILE 25 HG12 ILE 25 12.152 7.864 -6.760 185 2HG1 ILE 25 HG11 ILE 25 13.183 8.062 -8.163 186 1HG2 ILE 25 HG21 ILE 25 12.774 5.401 -8.082 187 2HG2 ILE 25 HG22 ILE 25 11.131 4.840 -8.384 188 3HG2 ILE 25 HG23 ILE 25 11.519 5.649 -6.865 189 1HD1 ILE 25 HD11 ILE 25 12.249 10.181 -7.455 190 2HD1 ILE 25 HD12 ILE 25 10.617 9.540 -7.607 191 3HD1 ILE 25 HD13 ILE 25 11.621 9.741 -9.045 192 H ASN 26 HN ASN 26 12.370 4.708 -10.919 193 HA ASN 26 HA ASN 26 10.314 4.121 -12.773 194 1HB ASN 26 HB2 ASN 26 12.643 3.224 -12.821 195 2HB ASN 26 HB1 ASN 26 12.228 2.191 -11.461 196 1HD2 ASN 26 HD21 ASN 26 11.873 2.758 -14.839 197 2HD2 ASN 26 HD22 ASN 26 11.110 1.262 -15.204 198 H LEU 27 HN LEU 27 8.504 2.833 -12.671 199 HA LEU 27 HA LEU 27 7.525 2.170 -9.977 200 1HB LEU 27 HB2 LEU 27 6.109 2.852 -12.528 201 2HB LEU 27 HB1 LEU 27 5.278 2.119 -11.172 202 HG LEU 27 HG LEU 27 6.710 4.777 -11.072 203 1HD1 LEU 27 HD11 LEU 27 3.768 4.114 -11.240 204 2HD1 LEU 27 HD12 LEU 27 4.735 4.836 -12.525 205 3HD1 LEU 27 HD13 LEU 27 4.457 5.724 -11.024 206 1HD2 LEU 27 HD21 LEU 27 4.871 3.394 -9.121 207 2HD2 LEU 27 HD22 LEU 27 5.552 5.004 -8.936 208 3HD2 LEU 27 HD23 LEU 27 6.614 3.593 -8.925 209 H ASP 28 HN ASP 28 8.951 0.559 -12.410 210 HA ASP 28 HA ASP 28 7.168 -1.779 -12.319 211 1HB ASP 28 HB2 ASP 28 9.676 -1.251 -13.938 212 2HB ASP 28 HB1 ASP 28 8.770 -2.757 -13.974 213 H SER 29 HN SER 29 9.760 -0.437 -10.807 214 HA SER 29 HA SER 29 11.391 -2.644 -10.225 215 1HB SER 29 HB2 SER 29 10.982 -0.134 -8.620 216 2HB SER 29 HB1 SER 29 12.409 -1.175 -8.643 217 HG SER 29 HG SER 29 12.108 -0.595 -11.106 218 H SER 30 HN SER 30 11.185 -4.168 -8.740 219 HA SER 30 HA SER 30 8.866 -4.613 -7.214 220 1HB SER 30 HB2 SER 30 11.651 -5.682 -6.747 221 2HB SER 30 HB1 SER 30 10.126 -6.459 -6.312 222 HG SER 30 HG SER 30 9.721 -6.265 -8.725 223 H LEU 31 HN LEU 31 8.680 -4.493 -4.850 224 HA LEU 31 HA LEU 31 9.586 -2.069 -3.769 225 1HB LEU 31 HB2 LEU 31 7.495 -3.181 -3.087 226 2HB LEU 31 HB1 LEU 31 8.415 -4.474 -2.355 227 HG LEU 31 HG LEU 31 9.246 -2.969 -0.634 228 1HD1 LEU 31 HD11 LEU 31 7.657 -0.897 -2.097 229 2HD1 LEU 31 HD12 LEU 31 9.420 -1.002 -1.976 230 3HD1 LEU 31 HD13 LEU 31 8.452 -0.670 -0.524 231 1HD2 LEU 31 HD21 LEU 31 6.277 -2.669 -1.038 232 2HD2 LEU 31 HD22 LEU 31 7.146 -2.437 0.479 233 3HD2 LEU 31 HD23 LEU 31 7.083 -4.035 -0.268 234 H ALA 32 HN ALA 32 10.855 -5.298 -3.601 235 HA ALA 32 HA ALA 32 12.692 -4.702 -1.513 236 1HB ALA 32 HB1 ALA 32 12.853 -6.922 -3.548 237 2HB ALA 32 HB2 ALA 32 12.055 -7.016 -1.978 238 3HB ALA 32 HB3 ALA 32 13.804 -6.809 -2.067 239 H ASP 33 HN ASP 33 12.685 -4.307 -4.937 240 HA ASP 33 HA ASP 33 15.471 -3.889 -5.331 241 1HB ASP 33 HB2 ASP 33 14.030 -4.380 -7.244 242 2HB ASP 33 HB1 ASP 33 13.058 -2.953 -6.914 243 H LEU 34 HN LEU 34 12.692 -1.964 -4.583 244 HA LEU 34 HA LEU 34 13.800 0.603 -4.679 245 1HB LEU 34 HB2 LEU 34 11.649 -0.366 -2.804 246 2HB LEU 34 HB1 LEU 34 11.904 1.279 -3.355 247 HG LEU 34 HG LEU 34 10.986 -1.043 -5.032 248 1HD1 LEU 34 HD11 LEU 34 9.526 1.387 -4.068 249 2HD1 LEU 34 HD12 LEU 34 9.319 -0.287 -3.534 250 3HD1 LEU 34 HD13 LEU 34 8.897 0.164 -5.185 251 1HD2 LEU 34 HD21 LEU 34 12.346 0.453 -6.327 252 2HD2 LEU 34 HD22 LEU 34 11.369 1.839 -5.805 253 3HD2 LEU 34 HD23 LEU 34 10.649 0.547 -6.790 254 H GLY 35 HN GLY 35 13.371 -1.625 -1.958 255 1HA GLY 35 HA2 GLY 35 15.840 -1.304 -0.797 256 2HA GLY 35 HA1 GLY 35 14.907 0.045 -0.183 257 H LEU 36 HN LEU 36 12.808 -2.549 -0.664 258 HA LEU 36 HA LEU 36 12.498 -2.866 2.079 259 1HB LEU 36 HB2 LEU 36 10.526 -3.241 1.177 260 2HB LEU 36 HB1 LEU 36 11.105 -3.951 -0.285 261 HG LEU 36 HG LEU 36 11.414 -6.117 1.009 262 1HD1 LEU 36 HD11 LEU 36 11.614 -5.217 3.250 263 2HD1 LEU 36 HD12 LEU 36 10.289 -6.379 3.145 264 3HD1 LEU 36 HD13 LEU 36 9.946 -4.648 3.186 265 1HD2 LEU 36 HD21 LEU 36 9.467 -5.736 -0.353 266 2HD2 LEU 36 HD22 LEU 36 8.663 -4.928 0.993 267 3HD2 LEU 36 HD23 LEU 36 9.047 -6.646 1.096 268 H ASP 37 HN ASP 37 13.590 -3.728 3.387 269 HA ASP 37 HA ASP 37 14.370 -6.506 3.152 270 1HB ASP 37 HB2 ASP 37 16.480 -5.462 2.621 271 2HB ASP 37 HB1 ASP 37 16.301 -4.311 3.946 272 H SER 38 HN SER 38 14.103 -3.607 5.191 273 HA SER 38 HA SER 38 13.380 -5.409 7.387 274 1HB SER 38 HB2 SER 38 14.703 -2.707 7.646 275 2HB SER 38 HB1 SER 38 14.345 -3.837 8.949 276 HG SER 38 HG SER 38 15.960 -4.712 6.801 277 H LEU 39 HN LEU 39 13.103 -1.840 7.218 278 HA LEU 39 HA LEU 39 10.633 -1.879 8.593 279 1HB LEU 39 HB2 LEU 39 12.219 -0.063 8.836 280 2HB LEU 39 HB1 LEU 39 12.037 0.350 7.146 281 HG LEU 39 HG LEU 39 9.642 0.906 7.606 282 1HD1 LEU 39 HD11 LEU 39 8.958 1.308 9.916 283 2HD1 LEU 39 HD12 LEU 39 10.472 0.606 10.485 284 3HD1 LEU 39 HD13 LEU 39 9.309 -0.394 9.616 285 1HD2 LEU 39 HD21 LEU 39 11.324 2.622 7.429 286 2HD2 LEU 39 HD22 LEU 39 11.729 2.443 9.138 287 3HD2 LEU 39 HD23 LEU 39 10.139 3.055 8.661 288 H MET 40 HN MET 40 11.474 -1.707 5.235 289 HA MET 40 HA MET 40 8.939 -0.660 4.369 290 1HB MET 40 HB2 MET 40 11.117 -1.962 2.743 291 2HB MET 40 HB1 MET 40 9.780 -0.982 2.134 292 1HG MET 40 HG2 MET 40 10.590 0.954 3.284 293 2HG MET 40 HG1 MET 40 11.870 0.012 4.039 294 1HE MET 40 HE1 MET 40 13.841 1.452 3.359 295 2HE MET 40 HE2 MET 40 12.664 2.631 2.783 296 3HE MET 40 HE3 MET 40 14.030 2.181 1.764 297 H GLY 41 HN GLY 41 9.559 -3.466 5.678 298 1HA GLY 41 HA2 GLY 41 7.335 -4.741 4.231 299 2HA GLY 41 HA1 GLY 41 8.647 -5.661 4.973 300 H VAL 42 HN VAL 42 8.886 -4.035 7.325 301 HA VAL 42 HA VAL 42 6.922 -5.292 8.948 302 HB VAL 42 HB VAL 42 8.792 -3.014 9.688 303 1HG1 VAL 42 HG11 VAL 42 6.963 -3.215 11.254 304 2HG1 VAL 42 HG12 VAL 42 8.468 -3.753 12.004 305 3HG1 VAL 42 HG13 VAL 42 7.284 -4.938 11.449 306 1HG2 VAL 42 HG21 VAL 42 10.041 -4.953 8.927 307 2HG2 VAL 42 HG22 VAL 42 9.160 -5.979 10.062 308 3HG2 VAL 42 HG23 VAL 42 10.240 -4.719 10.663 309 H GLU 43 HN GLU 43 7.470 -1.948 7.961 310 HA GLU 43 HA GLU 43 5.378 -0.736 9.318 311 1HB GLU 43 HB2 GLU 43 7.191 0.441 8.079 312 2HB GLU 43 HB1 GLU 43 6.460 -0.068 6.567 313 1HG GLU 43 HG2 GLU 43 5.855 2.196 6.946 314 2HG GLU 43 HG1 GLU 43 4.429 1.192 7.210 315 H VAL 44 HN VAL 44 5.522 -2.264 6.170 316 HA VAL 44 HA VAL 44 2.920 -1.709 5.273 317 HB VAL 44 HB VAL 44 4.671 -4.093 4.594 318 1HG1 VAL 44 HG11 VAL 44 3.340 -4.232 2.534 319 2HG1 VAL 44 HG12 VAL 44 2.291 -2.944 3.153 320 3HG1 VAL 44 HG13 VAL 44 2.370 -4.497 3.985 321 1HG2 VAL 44 HG21 VAL 44 4.356 -1.432 3.217 322 2HG2 VAL 44 HG22 VAL 44 5.302 -2.794 2.616 323 3HG2 VAL 44 HG23 VAL 44 5.770 -1.986 4.115 324 H ARG 45 HN ARG 45 4.222 -4.637 6.796 325 HA ARG 45 HA ARG 45 1.803 -5.993 7.008 326 1HB ARG 45 HB2 ARG 45 4.381 -6.190 8.505 327 2HB ARG 45 HB1 ARG 45 3.040 -7.238 8.919 328 1HG ARG 45 HG2 ARG 45 3.017 -8.076 6.601 329 2HG ARG 45 HG1 ARG 45 4.393 -7.032 6.232 330 1HD ARG 45 HD2 ARG 45 4.391 -9.166 8.355 331 2HD ARG 45 HD1 ARG 45 5.001 -9.396 6.717 332 HE ARG 45 HE ARG 45 6.610 -7.609 7.222 333 1HH1 ARG 45 HH11 ARG 45 5.134 -9.278 9.987 334 2HH1 ARG 45 HH12 ARG 45 6.502 -9.131 10.986 335 1HH2 ARG 45 HH21 ARG 45 8.536 -7.508 8.567 336 2HH2 ARG 45 HH22 ARG 45 8.504 -8.107 10.157 337 H GLN 46 HN GLN 46 3.375 -3.831 9.336 338 HA GLN 46 HA GLN 46 1.433 -4.241 11.360 339 1HB GLN 46 HB2 GLN 46 3.249 -1.850 10.957 340 2HB GLN 46 HB1 GLN 46 2.333 -2.192 12.412 341 1HG GLN 46 HG2 GLN 46 4.564 -3.876 11.292 342 2HG GLN 46 HG1 GLN 46 4.690 -2.767 12.648 343 1HE2 GLN 46 HE21 GLN 46 3.550 -5.839 11.559 344 2HE2 GLN 46 HE22 GLN 46 3.182 -6.506 13.096 345 H ILE 47 HN ILE 47 1.421 -2.266 8.500 346 HA ILE 47 HA ILE 47 -0.778 -0.629 9.373 347 HB ILE 47 HB ILE 47 0.324 -1.112 6.565 348 1HG1 ILE 47 HG12 ILE 47 0.654 1.274 8.403 349 2HG1 ILE 47 HG11 ILE 47 1.874 0.059 8.023 350 1HG2 ILE 47 HG21 ILE 47 -2.019 -0.476 6.432 351 2HG2 ILE 47 HG22 ILE 47 -0.992 0.832 5.853 352 3HG2 ILE 47 HG23 ILE 47 -1.713 0.929 7.458 353 1HD1 ILE 47 HD11 ILE 47 2.236 2.128 6.773 354 2HD1 ILE 47 HD12 ILE 47 0.642 1.954 6.032 355 3HD1 ILE 47 HD13 ILE 47 1.902 0.762 5.706 356 H LEU 48 HN LEU 48 -0.375 -3.092 6.882 357 HA LEU 48 HA LEU 48 -3.112 -3.220 6.339 358 1HB LEU 48 HB2 LEU 48 -0.886 -5.030 5.519 359 2HB LEU 48 HB1 LEU 48 -2.543 -5.402 5.114 360 HG LEU 48 HG LEU 48 -1.561 -4.389 3.222 361 1HD1 LEU 48 HD11 LEU 48 -3.269 -2.354 4.609 362 2HD1 LEU 48 HD12 LEU 48 -3.830 -3.714 3.633 363 3HD1 LEU 48 HD13 LEU 48 -2.924 -2.397 2.880 364 1HD2 LEU 48 HD21 LEU 48 -0.517 -2.183 3.234 365 2HD2 LEU 48 HD22 LEU 48 0.342 -3.300 4.299 366 3HD2 LEU 48 HD23 LEU 48 -0.740 -2.084 4.979 367 H GLU 49 HN GLU 49 -1.223 -5.276 8.496 368 HA GLU 49 HA GLU 49 -3.233 -7.188 8.914 369 1HB GLU 49 HB2 GLU 49 -1.038 -6.269 10.774 370 2HB GLU 49 HB1 GLU 49 -2.082 -7.640 11.102 371 1HG GLU 49 HG2 GLU 49 -1.213 -8.792 9.133 372 2HG GLU 49 HG1 GLU 49 -0.210 -7.390 8.755 373 H ARG 50 HN ARG 50 -2.809 -3.992 10.253 374 HA ARG 50 HA ARG 50 -4.936 -4.485 12.196 375 1HB ARG 50 HB2 ARG 50 -3.008 -2.200 11.872 376 2HB ARG 50 HB1 ARG 50 -4.414 -2.075 12.905 377 1HG ARG 50 HG2 ARG 50 -2.489 -2.577 14.237 378 2HG ARG 50 HG1 ARG 50 -3.558 -3.976 14.240 379 1HD ARG 50 HD2 ARG 50 -2.140 -5.078 12.614 380 2HD ARG 50 HD1 ARG 50 -1.117 -3.649 12.506 381 HE ARG 50 HE ARG 50 -1.131 -4.349 15.154 382 1HH1 ARG 50 HH11 ARG 50 -0.242 -5.997 12.155 383 2HH1 ARG 50 HH12 ARG 50 1.014 -6.894 12.881 384 1HH2 ARG 50 HH21 ARG 50 0.650 -5.520 16.097 385 2HH2 ARG 50 HH22 ARG 50 1.530 -6.636 15.154 386 H GLU 51 HN GLU 51 -4.277 -2.641 9.321 387 HA GLU 51 HA GLU 51 -6.620 -1.052 9.416 388 1HB GLU 51 HB2 GLU 51 -4.855 -1.814 7.104 389 2HB GLU 51 HB1 GLU 51 -6.174 -0.660 7.029 390 1HG GLU 51 HG2 GLU 51 -3.763 -0.387 8.799 391 2HG GLU 51 HG1 GLU 51 -3.964 0.369 7.217 392 H HIS 52 HN HIS 52 -5.813 -4.020 7.641 393 HA HIS 52 HA HIS 52 -8.692 -4.337 7.098 394 1HB HIS 52 HB2 HIS 52 -7.476 -3.237 5.209 395 2HB HIS 52 HB1 HIS 52 -6.484 -4.673 5.064 396 HD1 HIS 52 HD1 HIS 52 -10.112 -3.616 4.747 397 HD2 HIS 52 HD2 HIS 52 -7.519 -6.555 3.365 398 HE1 HIS 52 HE1 HIS 52 -11.352 -4.818 2.937 399 HE2 HIS 52 HE2 HIS 52 -9.927 -6.797 2.445 400 H ASP 53 HN ASP 53 -6.128 -5.653 8.579 401 HA ASP 53 HA ASP 53 -5.485 -7.676 9.331 402 1HB ASP 53 HB2 ASP 53 -7.965 -7.911 9.781 403 2HB ASP 53 HB1 ASP 53 -8.120 -8.726 8.229 404 H LEU 54 HN LEU 54 -4.997 -6.811 6.610 405 HA LEU 54 HA LEU 54 -4.862 -9.267 5.054 406 1HB LEU 54 HB2 LEU 54 -5.718 -7.200 4.038 407 2HB LEU 54 HB1 LEU 54 -4.158 -6.448 4.297 408 HG LEU 54 HG LEU 54 -3.122 -8.065 2.759 409 1HD1 LEU 54 HD11 LEU 54 -4.673 -9.932 3.108 410 2HD1 LEU 54 HD12 LEU 54 -4.534 -9.518 1.398 411 3HD1 LEU 54 HD13 LEU 54 -5.953 -9.012 2.313 412 1HD2 LEU 54 HD21 LEU 54 -3.930 -5.927 1.965 413 2HD2 LEU 54 HD22 LEU 54 -5.522 -6.644 1.693 414 3HD2 LEU 54 HD23 LEU 54 -4.135 -7.180 0.729 415 H VAL 55 HN VAL 55 -3.226 -10.357 6.186 416 HA VAL 55 HA VAL 55 -0.682 -8.998 6.173 417 HB VAL 55 HB VAL 55 -1.086 -9.965 8.303 418 1HG1 VAL 55 HG11 VAL 55 -1.468 -12.592 6.935 419 2HG1 VAL 55 HG12 VAL 55 -2.691 -11.587 7.735 420 3HG1 VAL 55 HG13 VAL 55 -1.401 -12.325 8.689 421 1HG2 VAL 55 HG21 VAL 55 1.220 -10.043 7.584 422 2HG2 VAL 55 HG22 VAL 55 0.962 -11.616 6.827 423 3HG2 VAL 55 HG23 VAL 55 0.857 -11.452 8.582 424 H LEU 56 HN LEU 56 -0.036 -8.880 4.275 425 HA LEU 56 HA LEU 56 0.521 -11.355 2.868 426 1HB LEU 56 HB2 LEU 56 0.899 -8.476 1.995 427 2HB LEU 56 HB1 LEU 56 1.238 -9.881 1.007 428 HG LEU 56 HG LEU 56 -1.469 -8.939 1.944 429 1HD1 LEU 56 HD11 LEU 56 -0.553 -7.663 0.105 430 2HD1 LEU 56 HD12 LEU 56 -1.900 -8.659 -0.438 431 3HD1 LEU 56 HD13 LEU 56 -0.240 -9.148 -0.788 432 1HD2 LEU 56 HD21 LEU 56 -2.392 -10.797 0.644 433 2HD2 LEU 56 HD22 LEU 56 -1.392 -11.376 1.978 434 3HD2 LEU 56 HD23 LEU 56 -0.760 -11.390 0.330 435 HA PRO 57 HA PRO 57 4.420 -11.031 4.886 436 1HB PRO 57 HB2 PRO 57 5.062 -13.439 3.343 437 2HB PRO 57 HB1 PRO 57 4.917 -13.251 5.091 438 1HG PRO 57 HG2 PRO 57 3.060 -14.611 3.757 439 2HG PRO 57 HG1 PRO 57 2.586 -13.465 5.040 440 1HD PRO 57 HD2 PRO 57 2.673 -12.978 2.082 441 2HD PRO 57 HD1 PRO 57 1.311 -12.753 3.214 442 H ILE 58 HN ILE 58 6.748 -11.413 4.172 443 HA ILE 58 HA ILE 58 7.315 -9.305 2.456 444 HB ILE 58 HB ILE 58 9.125 -11.335 3.764 445 1HG1 ILE 58 HG12 ILE 58 10.003 -9.170 4.823 446 2HG1 ILE 58 HG11 ILE 58 8.606 -8.432 4.037 447 1HG2 ILE 58 HG21 ILE 58 10.085 -9.117 1.973 448 2HG2 ILE 58 HG22 ILE 58 10.233 -10.846 1.663 449 3HG2 ILE 58 HG23 ILE 58 11.098 -10.115 3.017 450 1HD1 ILE 58 HD11 ILE 58 8.208 -8.924 6.414 451 2HD1 ILE 58 HD12 ILE 58 8.468 -10.637 6.087 452 3HD1 ILE 58 HD13 ILE 58 7.102 -9.797 5.351 453 H ARG 59 HN ARG 59 7.524 -12.734 1.782 454 HA ARG 59 HA ARG 59 8.686 -12.569 -0.714 455 1HB ARG 59 HB2 ARG 59 7.795 -14.763 -1.271 456 2HB ARG 59 HB1 ARG 59 8.366 -14.720 0.383 457 1HG ARG 59 HG2 ARG 59 5.453 -14.507 -0.368 458 2HG ARG 59 HG1 ARG 59 6.279 -16.025 -0.029 459 1HD ARG 59 HD2 ARG 59 6.004 -13.714 1.870 460 2HD ARG 59 HD1 ARG 59 5.044 -15.197 1.916 461 HE ARG 59 HE ARG 59 7.968 -15.346 2.153 462 1HH1 ARG 59 HH11 ARG 59 4.780 -16.012 3.597 463 2HH1 ARG 59 HH12 ARG 59 5.441 -16.558 5.066 464 1HH2 ARG 59 HH21 ARG 59 8.825 -16.175 4.177 465 2HH2 ARG 59 HH22 ARG 59 7.746 -16.725 5.371 466 H GLU 60 HN GLU 60 5.471 -11.631 0.095 467 HA GLU 60 HA GLU 60 4.782 -11.448 -2.744 468 1HB GLU 60 HB2 GLU 60 3.070 -11.025 -0.292 469 2HB GLU 60 HB1 GLU 60 2.505 -10.948 -1.956 470 1HG GLU 60 HG2 GLU 60 3.189 -13.311 -2.238 471 2HG GLU 60 HG1 GLU 60 3.583 -13.356 -0.522 472 H VAL 61 HN VAL 61 5.062 -9.547 0.203 473 HA VAL 61 HA VAL 61 4.372 -7.042 -0.795 474 HB VAL 61 HB VAL 61 6.240 -7.771 1.496 475 1HG1 VAL 61 HG11 VAL 61 5.884 -5.506 2.350 476 2HG1 VAL 61 HG12 VAL 61 4.976 -5.095 0.895 477 3HG1 VAL 61 HG13 VAL 61 6.697 -5.465 0.785 478 1HG2 VAL 61 HG21 VAL 61 3.977 -8.555 1.756 479 2HG2 VAL 61 HG22 VAL 61 3.358 -6.937 1.424 480 3HG2 VAL 61 HG23 VAL 61 4.305 -7.238 2.881 481 H ARG 62 HN ARG 62 7.342 -8.791 -1.089 482 HA ARG 62 HA ARG 62 9.014 -6.697 -1.758 483 1HB ARG 62 HB2 ARG 62 9.143 -9.613 -2.288 484 2HB ARG 62 HB1 ARG 62 10.320 -8.539 -3.037 485 1HG ARG 62 HG2 ARG 62 10.995 -7.710 -0.912 486 2HG ARG 62 HG1 ARG 62 9.728 -8.625 -0.115 487 1HD ARG 62 HD2 ARG 62 11.935 -9.734 0.074 488 2HD ARG 62 HD1 ARG 62 10.705 -10.720 -0.701 489 HE ARG 62 HE ARG 62 11.880 -9.769 -2.841 490 1HH1 ARG 62 HH11 ARG 62 13.527 -10.569 0.172 491 2HH1 ARG 62 HH12 ARG 62 14.873 -11.268 -0.572 492 1HH2 ARG 62 HH21 ARG 62 13.664 -10.829 -3.895 493 2HH2 ARG 62 HH22 ARG 62 14.940 -11.454 -2.932 494 H GLN 63 HN GLN 63 6.441 -7.898 -3.642 495 HA GLN 63 HA GLN 63 7.705 -6.815 -6.053 496 1HB GLN 63 HB2 GLN 63 5.512 -8.883 -5.866 497 2HB GLN 63 HB1 GLN 63 5.984 -8.097 -7.365 498 1HG GLN 63 HG2 GLN 63 7.090 -10.163 -7.362 499 2HG GLN 63 HG1 GLN 63 8.312 -8.970 -6.938 500 1HE2 GLN 63 HE21 GLN 63 5.855 -10.211 -4.808 501 2HE2 GLN 63 HE22 GLN 63 6.916 -11.067 -3.749 502 H LEU 64 HN LEU 64 5.973 -5.712 -3.745 503 HA LEU 64 HA LEU 64 3.813 -4.560 -5.203 504 1HB LEU 64 HB2 LEU 64 5.036 -3.607 -2.607 505 2HB LEU 64 HB1 LEU 64 3.460 -3.166 -3.234 506 HG LEU 64 HG LEU 64 4.312 -5.861 -2.211 507 1HD1 LEU 64 HD11 LEU 64 2.345 -3.862 -1.141 508 2HD1 LEU 64 HD12 LEU 64 3.925 -4.261 -0.465 509 3HD1 LEU 64 HD13 LEU 64 2.644 -5.472 -0.483 510 1HD2 LEU 64 HD21 LEU 64 1.988 -6.569 -2.566 511 2HD2 LEU 64 HD22 LEU 64 2.781 -6.151 -4.085 512 3HD2 LEU 64 HD23 LEU 64 1.644 -5.026 -3.346 513 H THR 65 HN THR 65 4.325 -3.319 -6.874 514 HA THR 65 HA THR 65 6.829 -2.065 -7.206 515 HB THR 65 HB THR 65 5.631 -1.480 -9.394 516 HG1 THR 65 HG1 THR 65 3.552 -2.029 -9.446 517 1HG2 THR 65 HG21 THR 65 7.159 -3.378 -9.059 518 2HG2 THR 65 HG22 THR 65 5.793 -3.832 -10.108 519 3HG2 THR 65 HG23 THR 65 5.810 -4.295 -8.395 520 H LEU 66 HN LEU 66 5.803 -0.787 -5.125 521 HA LEU 66 HA LEU 66 5.552 1.236 -4.205 522 1HB LEU 66 HB2 LEU 66 7.278 1.738 -6.095 523 2HB LEU 66 HB1 LEU 66 5.948 2.563 -6.877 524 HG LEU 66 HG LEU 66 7.437 4.103 -5.656 525 1HD1 LEU 66 HD11 LEU 66 5.740 5.315 -4.390 526 2HD1 LEU 66 HD12 LEU 66 4.698 3.892 -4.437 527 3HD1 LEU 66 HD13 LEU 66 5.106 4.734 -5.935 528 1HD2 LEU 66 HD21 LEU 66 8.157 2.588 -3.911 529 2HD2 LEU 66 HD22 LEU 66 6.531 2.573 -3.229 530 3HD2 LEU 66 HD23 LEU 66 7.478 4.061 -3.213 531 H ARG 67 HN ARG 67 3.986 1.721 -7.407 532 HA ARG 67 HA ARG 67 1.817 3.014 -6.047 533 1HB ARG 67 HB2 ARG 67 2.162 2.305 -8.953 534 2HB ARG 67 HB1 ARG 67 0.693 3.025 -8.322 535 1HG ARG 67 HG2 ARG 67 3.443 4.253 -8.285 536 2HG ARG 67 HG1 ARG 67 2.097 4.709 -9.331 537 1HD ARG 67 HD2 ARG 67 0.814 5.146 -7.134 538 2HD ARG 67 HD1 ARG 67 2.386 5.061 -6.370 539 HE ARG 67 HE ARG 67 2.945 6.856 -8.232 540 1HH1 ARG 67 HH11 ARG 67 0.143 6.831 -5.989 541 2HH1 ARG 67 HH12 ARG 67 -0.095 8.490 -6.176 542 1HH2 ARG 67 HH21 ARG 67 2.517 9.043 -8.433 543 2HH2 ARG 67 HH22 ARG 67 1.223 9.797 -7.583 544 H LYS 68 HN LYS 68 2.568 -0.177 -6.787 545 HA LYS 68 HA LYS 68 -0.096 -1.160 -6.783 546 1HB LYS 68 HB2 LYS 68 1.853 -2.566 -7.492 547 2HB LYS 68 HB1 LYS 68 2.359 -2.628 -5.803 548 1HG LYS 68 HG2 LYS 68 0.314 -3.754 -5.189 549 2HG LYS 68 HG1 LYS 68 -0.273 -3.635 -6.844 550 1HD LYS 68 HD2 LYS 68 1.575 -5.051 -7.589 551 2HD LYS 68 HD1 LYS 68 2.154 -5.161 -5.925 552 1HE LYS 68 HE2 LYS 68 0.853 -7.135 -6.476 553 2HE LYS 68 HE1 LYS 68 0.055 -6.145 -5.247 554 1HZ LYS 68 HZ1 LYS 68 -1.441 -7.013 -7.060 555 2HZ LYS 68 HZ2 LYS 68 -0.638 -5.976 -8.128 556 3HZ LYS 68 HZ3 LYS 68 -1.511 -5.339 -6.853 557 H LEU 69 HN LEU 69 2.072 -0.108 -4.380 558 HA LEU 69 HA LEU 69 0.885 -1.114 -2.033 559 1HB LEU 69 HB2 LEU 69 2.381 1.442 -2.518 560 2HB LEU 69 HB1 LEU 69 1.604 1.180 -0.979 561 HG LEU 69 HG LEU 69 3.908 0.680 -0.767 562 1HD1 LEU 69 HD11 LEU 69 2.337 -1.866 -0.830 563 2HD1 LEU 69 HD12 LEU 69 2.445 -0.714 0.502 564 3HD1 LEU 69 HD13 LEU 69 3.873 -1.624 0.000 565 1HD2 LEU 69 HD21 LEU 69 3.592 -1.266 -3.046 566 2HD2 LEU 69 HD22 LEU 69 5.036 -1.078 -2.052 567 3HD2 LEU 69 HD23 LEU 69 4.496 0.248 -3.081 568 H GLN 70 HN GLN 70 -0.016 1.732 -3.921 569 HA GLN 70 HA GLN 70 -2.144 2.316 -2.067 570 1HB GLN 70 HB2 GLN 70 -2.818 4.088 -3.684 571 2HB GLN 70 HB1 GLN 70 -1.169 4.230 -3.094 572 1HG GLN 70 HG2 GLN 70 -0.293 3.418 -5.106 573 2HG GLN 70 HG1 GLN 70 -1.901 3.011 -5.748 574 1HE2 GLN 70 HE21 GLN 70 -1.588 4.319 -7.535 575 2HE2 GLN 70 HE22 GLN 70 -1.653 6.032 -7.440 576 H GLU 71 HN GLU 71 -1.750 0.374 -4.793 577 HA GLU 71 HA GLU 71 -4.494 0.272 -5.552 578 1HB GLU 71 HB2 GLU 71 -2.753 -0.240 -7.184 579 2HB GLU 71 HB1 GLU 71 -2.117 -1.511 -6.168 580 1HG GLU 71 HG2 GLU 71 -4.908 -1.773 -7.153 581 2HG GLU 71 HG1 GLU 71 -3.594 -1.984 -8.307 582 H MET 72 HN MET 72 -2.440 -1.546 -3.426 583 HA MET 72 HA MET 72 -4.768 -3.101 -2.537 584 1HB MET 72 HB2 MET 72 -3.151 -4.492 -1.308 585 2HB MET 72 HB1 MET 72 -2.819 -4.454 -3.032 586 1HG MET 72 HG2 MET 72 -0.948 -3.071 -2.747 587 2HG MET 72 HG1 MET 72 -1.385 -2.665 -1.091 588 1HE MET 72 HE1 MET 72 -0.645 -5.925 0.843 589 2HE MET 72 HE2 MET 72 -2.190 -5.365 0.204 590 3HE MET 72 HE3 MET 72 -1.080 -4.220 0.957 591 H SER 73 HN SER 73 -4.298 -0.245 -1.910 592 HA SER 73 HA SER 73 -3.278 0.036 0.689 593 1HB SER 73 HB2 SER 73 -4.336 2.307 0.635 594 2HB SER 73 HB1 SER 73 -3.429 1.927 -0.810 595 HG SER 73 HG SER 73 -5.214 1.884 -1.992 596 H SER 74 HN SER 74 -6.341 -0.966 -0.510 597 HA SER 74 HA SER 74 -7.880 -2.245 0.444 598 1HB SER 74 HB2 SER 74 -6.594 -1.626 3.108 599 2HB SER 74 HB1 SER 74 -7.931 -2.754 2.873 600 HG SER 74 HG SER 74 -5.436 -2.926 1.551 601 H LYS 75 HN LYS 75 -7.786 0.736 0.179 602 HA LYS 75 HA LYS 75 -10.340 1.221 1.524 603 1HB LYS 75 HB2 LYS 75 -9.960 3.639 0.955 604 2HB LYS 75 HB1 LYS 75 -8.759 2.980 2.051 605 1HG LYS 75 HG2 LYS 75 -7.155 2.812 0.273 606 2HG LYS 75 HG1 LYS 75 -8.362 3.307 -0.912 607 1HD LYS 75 HD2 LYS 75 -8.514 5.486 0.096 608 2HD LYS 75 HD1 LYS 75 -7.438 4.996 1.403 609 1HE LYS 75 HE2 LYS 75 -6.261 6.324 -0.268 610 2HE LYS 75 HE1 LYS 75 -5.626 4.688 -0.177 611 1HZ LYS 75 HZ1 LYS 75 -5.811 5.453 -2.415 612 2HZ LYS 75 HZ2 LYS 75 -7.478 5.710 -2.293 613 3HZ LYS 75 HZ3 LYS 75 -6.858 4.145 -2.230 614 H ALA 76 HN ALA 76 -12.111 1.202 0.365 615 HA ALA 76 HA ALA 76 -13.555 0.961 -1.357 616 1HB ALA 76 HB1 ALA 76 -13.272 2.382 -3.325 617 2HB ALA 76 HB2 ALA 76 -11.576 2.641 -2.914 618 3HB ALA 76 HB3 ALA 76 -12.843 3.277 -1.865 619 H GLY 77 HN GLY 77 -11.265 -0.904 -1.055 620 1HA GLY 77 HA2 GLY 77 -10.968 -1.908 -3.800 621 2HA GLY 77 HA1 GLY 77 -9.999 -2.406 -2.416 622 H SER 78 HN SER 78 -11.873 -2.971 -0.554 623 HA SER 78 HA SER 78 -13.065 -5.341 -1.733 624 1HB SER 78 HB2 SER 78 -11.648 -5.684 0.261 625 2HB SER 78 HB1 SER 78 -12.684 -4.593 1.184 626 HG SER 78 HG SER 78 -14.039 -6.163 1.472 627 H ASP 79 HN ASP 79 -14.826 -4.457 -2.722 628 HA ASP 79 HA ASP 79 -16.667 -2.893 -1.133 629 1HB ASP 79 HB2 ASP 79 -16.460 -2.444 -3.562 630 2HB ASP 79 HB1 ASP 79 -17.032 -4.077 -3.897 631 H THR 80 HN THR 80 -16.438 -6.051 -2.599 632 HA THR 80 HA THR 80 -17.906 -7.197 -0.406 633 HB THR 80 HB THR 80 -18.885 -7.597 -3.269 634 HG1 THR 80 HG1 THR 80 -19.378 -5.657 -1.646 635 1HG2 THR 80 HG21 THR 80 -19.970 -8.627 -0.634 636 2HG2 THR 80 HG22 THR 80 -19.129 -9.597 -1.844 637 3HG2 THR 80 HG23 THR 80 -20.702 -8.886 -2.216 638 H GLU 81 HN GLU 81 -16.345 -8.538 0.201 639 HA GLU 81 HA GLU 81 -14.922 -10.269 0.270 640 1HB GLU 81 HB2 GLU 81 -16.384 -11.060 -2.247 641 2HB GLU 81 HB1 GLU 81 -15.196 -12.089 -1.455 642 1HG GLU 81 HG2 GLU 81 -17.741 -11.069 -0.207 643 2HG GLU 81 HG1 GLU 81 -17.489 -12.691 -0.854 644 H LEU 82 HN LEU 82 -13.882 -7.936 -0.686 645 HA LEU 82 HA LEU 82 -12.110 -6.997 -1.605 646 1HB LEU 82 HB2 LEU 82 -10.916 -8.787 -0.423 647 2HB LEU 82 HB1 LEU 82 -11.067 -9.827 -1.822 648 HG LEU 82 HG LEU 82 -9.630 -8.257 -3.100 649 1HD1 LEU 82 HD11 LEU 82 -10.095 -6.212 -1.862 650 2HD1 LEU 82 HD12 LEU 82 -8.366 -6.542 -1.910 651 3HD1 LEU 82 HD13 LEU 82 -9.287 -6.876 -0.442 652 1HD2 LEU 82 HD21 LEU 82 -7.538 -8.867 -1.979 653 2HD2 LEU 82 HD22 LEU 82 -8.669 -10.219 -2.023 654 3HD2 LEU 82 HD23 LEU 82 -8.445 -9.305 -0.531 655 H ALA 83 HN ALA 83 -11.721 -9.808 -3.675 656 HA ALA 83 HA ALA 83 -12.377 -8.030 -5.930 657 1HB ALA 83 HB1 ALA 83 -10.471 -10.370 -5.898 658 2HB ALA 83 HB2 ALA 83 -10.014 -8.665 -5.874 659 3HB ALA 83 HB3 ALA 83 -10.827 -9.343 -7.287 660 H ALA 84 HN ALA 84 -13.250 -10.731 -4.194 661 HA ALA 84 HA ALA 84 -14.596 -12.463 -4.383 662 1HB ALA 84 HB1 ALA 84 -16.232 -10.653 -4.735 663 2HB ALA 84 HB2 ALA 84 -16.698 -12.148 -5.545 664 3HB ALA 84 HB3 ALA 84 -16.013 -10.819 -6.478 665 HA PRO 85 HA PRO 85 -12.669 -14.643 -7.859 666 1HB PRO 85 HB2 PRO 85 -12.961 -16.928 -6.017 667 2HB PRO 85 HB1 PRO 85 -11.499 -16.317 -6.800 668 1HG PRO 85 HG2 PRO 85 -11.919 -16.034 -4.154 669 2HG PRO 85 HG1 PRO 85 -11.060 -14.812 -5.108 670 1HD PRO 85 HD2 PRO 85 -13.891 -14.815 -4.140 671 2HD PRO 85 HD1 PRO 85 -12.718 -13.482 -4.190 672 H LYS 86 HN LYS 86 -14.459 -14.545 -9.124 673 HA LYS 86 HA LYS 86 -16.439 -16.648 -8.839 674 1HB LYS 86 HB2 LYS 86 -17.298 -14.665 -7.581 675 2HB LYS 86 HB1 LYS 86 -17.175 -13.718 -9.050 676 1HG LYS 86 HG2 LYS 86 -19.463 -14.351 -8.701 677 2HG LYS 86 HG1 LYS 86 -18.840 -15.218 -10.104 678 1HD LYS 86 HD2 LYS 86 -18.561 -17.226 -8.800 679 2HD LYS 86 HD1 LYS 86 -19.002 -16.372 -7.321 680 1HE LYS 86 HE2 LYS 86 -20.873 -17.703 -8.134 681 2HE LYS 86 HE1 LYS 86 -21.248 -15.984 -8.221 682 1HZ LYS 86 HZ1 LYS 86 -20.770 -16.049 -10.618 683 2HZ LYS 86 HZ2 LYS 86 -21.962 -17.169 -10.204 684 3HZ LYS 86 HZ3 LYS 86 -20.395 -17.696 -10.495 685 H SER 87 HN SER 87 -16.421 -17.532 -10.752 686 HA SER 87 HA SER 87 -16.688 -15.905 -13.118 687 1HB SER 87 HB2 SER 87 -14.245 -16.144 -12.932 688 2HB SER 87 HB1 SER 87 -14.414 -17.886 -12.752 689 HG SER 87 HG SER 87 -14.537 -16.311 -15.049 690 H LYS 88 HN LYS 88 -17.925 -16.904 -14.576 691 HA LYS 88 HA LYS 88 -19.631 -18.953 -13.687 692 1HB LYS 88 HB2 LYS 88 -20.343 -17.245 -15.268 693 2HB LYS 88 HB1 LYS 88 -19.213 -17.854 -16.465 694 1HG LYS 88 HG2 LYS 88 -20.477 -19.983 -16.517 695 2HG LYS 88 HG1 LYS 88 -21.644 -19.278 -15.394 696 1HD LYS 88 HD2 LYS 88 -22.155 -17.526 -16.997 697 2HD LYS 88 HD1 LYS 88 -20.945 -18.170 -18.105 698 1HE LYS 88 HE2 LYS 88 -22.240 -20.276 -18.222 699 2HE LYS 88 HE1 LYS 88 -23.472 -19.543 -17.196 700 1HZ LYS 88 HZ1 LYS 88 -23.845 -17.865 -18.879 701 2HZ LYS 88 HZ2 LYS 88 -24.018 -19.382 -19.598 702 3HZ LYS 88 HZ3 LYS 88 -22.612 -18.495 -19.830 703 H ASN 89 HN ASN 89 -17.368 -19.072 -16.447 704 HA ASN 89 HA ASN 89 -16.897 -21.868 -15.867 705 1HB ASN 89 HB2 ASN 89 -18.784 -22.015 -17.365 706 2HB ASN 89 HB1 ASN 89 -18.050 -20.874 -18.482 707 1HD2 ASN 89 HD21 ASN 89 -16.594 -21.603 -19.948 708 2HD2 ASN 89 HD22 ASN 89 -16.177 -23.265 -20.179 Start of MODEL 2 1 1H GLY 1 HT1 GLY 1 -13.047 10.511 3.241 2 2H GLY 1 HT2 GLY 1 -13.232 11.202 4.753 3 3H GLY 1 HT3 GLY 1 -13.549 9.543 4.534 4 1HA GLY 1 HA1 GLY 1 -10.920 10.893 4.342 5 2HA GLY 1 HA2 GLY 1 -11.452 9.830 5.641 6 H ASP 2 HN ASP 2 -9.557 9.940 2.988 7 HA ASP 2 HA ASP 2 -10.137 7.166 2.238 8 1HB ASP 2 HB2 ASP 2 -8.584 9.270 0.723 9 2HB ASP 2 HB1 ASP 2 -8.621 7.574 0.267 10 H GLY 3 HN GLY 3 -9.091 5.819 3.373 11 1HA GLY 3 HA2 GLY 3 -7.328 4.618 4.209 12 2HA GLY 3 HA1 GLY 3 -6.275 5.600 3.204 13 H GLU 4 HN GLU 4 -7.932 5.482 6.317 14 HA GLU 4 HA GLU 4 -6.127 7.595 7.189 15 1HB GLU 4 HB2 GLU 4 -8.569 6.502 8.587 16 2HB GLU 4 HB1 GLU 4 -7.585 7.861 9.128 17 1HG GLU 4 HG2 GLU 4 -8.134 8.975 6.935 18 2HG GLU 4 HG1 GLU 4 -9.329 7.705 6.694 19 H ALA 5 HN ALA 5 -7.317 4.436 8.157 20 HA ALA 5 HA ALA 5 -5.025 4.104 9.915 21 1HB ALA 5 HB1 ALA 5 -7.298 2.216 9.247 22 2HB ALA 5 HB2 ALA 5 -7.201 3.247 10.676 23 3HB ALA 5 HB3 ALA 5 -6.052 1.924 10.463 24 H GLN 6 HN GLN 6 -6.493 2.037 7.390 25 HA GLN 6 HA GLN 6 -3.800 1.464 6.477 26 1HB GLN 6 HB2 GLN 6 -5.391 -0.443 6.936 27 2HB GLN 6 HB1 GLN 6 -6.415 0.176 5.649 28 1HG GLN 6 HG2 GLN 6 -4.800 -0.291 4.001 29 2HG GLN 6 HG1 GLN 6 -3.555 -0.606 5.207 30 1HE2 GLN 6 HE21 GLN 6 -3.695 -2.478 6.419 31 2HE2 GLN 6 HE22 GLN 6 -4.553 -3.868 5.832 32 H ARG 7 HN ARG 7 -3.082 2.416 4.720 33 HA ARG 7 HA ARG 7 -4.969 4.093 3.199 34 1HB ARG 7 HB2 ARG 7 -3.349 5.901 3.281 35 2HB ARG 7 HB1 ARG 7 -3.837 5.429 4.903 36 1HG ARG 7 HG2 ARG 7 -1.729 4.064 5.034 37 2HG ARG 7 HG1 ARG 7 -1.236 4.801 3.510 38 1HD ARG 7 HD2 ARG 7 -0.243 5.991 5.372 39 2HD ARG 7 HD1 ARG 7 -1.421 7.023 4.555 40 HE ARG 7 HE ARG 7 -2.929 5.995 6.454 41 1HH1 ARG 7 HH11 ARG 7 0.356 7.277 6.741 42 2HH1 ARG 7 HH12 ARG 7 0.156 7.831 8.333 43 1HH2 ARG 7 HH21 ARG 7 -3.215 6.736 8.656 44 2HH2 ARG 7 HH22 ARG 7 -1.927 7.511 9.453 45 H ASP 8 HN ASP 8 -3.491 5.186 1.380 46 HA ASP 8 HA ASP 8 -2.552 3.218 -0.415 47 1HB ASP 8 HB2 ASP 8 -1.729 6.142 -0.296 48 2HB ASP 8 HB1 ASP 8 -1.651 5.090 -1.697 49 H LEU 9 HN LEU 9 -0.767 2.028 0.026 50 HA LEU 9 HA LEU 9 0.963 2.709 2.119 51 1HB LEU 9 HB2 LEU 9 1.323 0.638 -0.036 52 2HB LEU 9 HB1 LEU 9 2.239 0.730 1.454 53 HG LEU 9 HG LEU 9 -0.732 0.255 1.287 54 1HD1 LEU 9 HD11 LEU 9 1.521 -1.662 1.877 55 2HD1 LEU 9 HD12 LEU 9 0.514 -1.644 0.427 56 3HD1 LEU 9 HD13 LEU 9 -0.202 -2.019 1.994 57 1HD2 LEU 9 HD21 LEU 9 -0.535 -0.260 3.671 58 2HD2 LEU 9 HD22 LEU 9 -0.054 1.405 3.304 59 3HD2 LEU 9 HD23 LEU 9 1.177 0.181 3.607 60 H VAL 10 HN VAL 10 0.935 3.787 -1.013 61 HA VAL 10 HA VAL 10 3.711 4.218 -1.374 62 HB VAL 10 HB VAL 10 1.335 5.597 -2.628 63 1HG1 VAL 10 HG11 VAL 10 2.878 6.329 -4.392 64 2HG1 VAL 10 HG12 VAL 10 4.230 5.647 -3.493 65 3HG1 VAL 10 HG13 VAL 10 3.329 7.009 -2.829 66 1HG2 VAL 10 HG21 VAL 10 3.065 3.311 -3.471 67 2HG2 VAL 10 HG22 VAL 10 1.929 4.141 -4.520 68 3HG2 VAL 10 HG23 VAL 10 1.344 3.290 -3.065 69 H LYS 11 HN LYS 11 1.100 6.023 0.049 70 HA LYS 11 HA LYS 11 2.787 8.319 0.503 71 1HB LYS 11 HB2 LYS 11 -0.094 7.732 0.663 72 2HB LYS 11 HB1 LYS 11 0.491 8.887 1.860 73 1HG LYS 11 HG2 LYS 11 -0.368 10.017 -0.138 74 2HG LYS 11 HG1 LYS 11 1.349 10.314 0.079 75 1HD LYS 11 HD2 LYS 11 0.992 9.955 -2.247 76 2HD LYS 11 HD1 LYS 11 1.766 8.505 -1.628 77 1HE LYS 11 HE2 LYS 11 -0.024 7.935 -3.183 78 2HE LYS 11 HE1 LYS 11 -0.410 7.376 -1.557 79 1HZ LYS 11 HZ1 LYS 11 -1.422 9.957 -2.614 80 2HZ LYS 11 HZ2 LYS 11 -2.020 9.066 -1.299 81 3HZ LYS 11 HZ3 LYS 11 -2.238 8.516 -2.870 82 H ALA 12 HN ALA 12 3.173 5.642 1.664 83 HA ALA 12 HA ALA 12 3.677 6.523 4.396 84 1HB ALA 12 HB1 ALA 12 2.647 3.783 3.618 85 2HB ALA 12 HB2 ALA 12 1.723 5.017 4.472 86 3HB ALA 12 HB3 ALA 12 3.132 4.279 5.239 87 H VAL 13 HN VAL 13 4.306 3.732 2.211 88 HA VAL 13 HA VAL 13 6.862 3.209 3.350 89 HB VAL 13 HB VAL 13 5.557 2.126 0.839 90 1HG1 VAL 13 HG11 VAL 13 7.943 1.845 0.735 91 2HG1 VAL 13 HG12 VAL 13 7.168 0.282 1.008 92 3HG1 VAL 13 HG13 VAL 13 7.972 1.120 2.345 93 1HG2 VAL 13 HG21 VAL 13 5.712 0.989 3.627 94 2HG2 VAL 13 HG22 VAL 13 5.042 0.160 2.222 95 3HG2 VAL 13 HG23 VAL 13 4.271 1.625 2.835 96 H ALA 14 HN ALA 14 5.768 4.435 0.202 97 HA ALA 14 HA ALA 14 8.381 4.879 -0.774 98 1HB ALA 14 HB1 ALA 14 5.788 6.181 -1.623 99 2HB ALA 14 HB2 ALA 14 6.462 4.694 -2.279 100 3HB ALA 14 HB3 ALA 14 7.297 6.234 -2.538 101 H HIS 15 HN HIS 15 6.189 6.682 1.164 102 HA HIS 15 HA HIS 15 7.485 9.181 0.936 103 1HB HIS 15 HB2 HIS 15 5.133 8.885 1.744 104 2HB HIS 15 HB1 HIS 15 5.769 8.222 3.243 105 HD1 HIS 15 HD1 HIS 15 5.202 10.010 4.900 106 HD2 HIS 15 HD2 HIS 15 6.959 11.551 1.461 107 HE1 HIS 15 HE1 HIS 15 5.558 12.453 5.345 108 HE2 HIS 15 HE2 HIS 15 6.588 13.374 3.225 109 H ILE 16 HN ILE 16 8.153 6.335 2.815 110 HA ILE 16 HA ILE 16 9.949 7.517 4.670 111 HB ILE 16 HB ILE 16 9.757 4.672 3.617 112 1HG1 ILE 16 HG12 ILE 16 7.805 5.364 4.908 113 2HG1 ILE 16 HG11 ILE 16 8.723 4.150 5.784 114 1HG2 ILE 16 HG21 ILE 16 12.021 5.013 4.386 115 2HG2 ILE 16 HG22 ILE 16 11.157 3.955 5.499 116 3HG2 ILE 16 HG23 ILE 16 11.434 5.648 5.922 117 1HD1 ILE 16 HD11 ILE 16 7.927 5.895 7.272 118 2HD1 ILE 16 HD12 ILE 16 8.760 7.117 6.309 119 3HD1 ILE 16 HD13 ILE 16 9.689 5.907 7.190 120 H LEU 17 HN LEU 17 10.254 6.232 1.429 121 HA LEU 17 HA LEU 17 13.113 6.477 1.256 122 1HB LEU 17 HB2 LEU 17 11.038 6.275 -0.929 123 2HB LEU 17 HB1 LEU 17 12.766 6.185 -1.179 124 HG LEU 17 HG LEU 17 11.149 4.226 0.428 125 1HD1 LEU 17 HD11 LEU 17 12.297 4.001 -2.345 126 2HD1 LEU 17 HD12 LEU 17 10.589 4.132 -1.932 127 3HD1 LEU 17 HD13 LEU 17 11.506 2.704 -1.446 128 1HD2 LEU 17 HD21 LEU 17 13.185 2.861 0.342 129 2HD2 LEU 17 HD22 LEU 17 13.471 4.395 1.164 130 3HD2 LEU 17 HD23 LEU 17 14.019 4.169 -0.494 131 H GLY 18 HN GLY 18 10.394 8.496 0.666 132 1HA GLY 18 HA2 GLY 18 10.698 10.908 0.778 133 2HA GLY 18 HA1 GLY 18 12.211 10.691 -0.101 134 H ILE 19 HN ILE 19 9.709 8.700 -1.183 135 HA ILE 19 HA ILE 19 9.254 10.488 -3.432 136 HB ILE 19 HB ILE 19 8.425 8.173 -4.447 137 1HG1 ILE 19 HG12 ILE 19 10.656 7.363 -2.575 138 2HG1 ILE 19 HG11 ILE 19 8.992 6.804 -2.529 139 1HG2 ILE 19 HG21 ILE 19 9.948 9.657 -5.514 140 2HG2 ILE 19 HG22 ILE 19 10.569 8.005 -5.612 141 3HG2 ILE 19 HG23 ILE 19 11.267 9.142 -4.446 142 1HD1 ILE 19 HD11 ILE 19 9.309 5.697 -4.684 143 2HD1 ILE 19 HD12 ILE 19 10.470 5.131 -3.482 144 3HD1 ILE 19 HD13 ILE 19 10.975 6.270 -4.731 145 H ARG 20 HN ARG 20 7.226 10.408 -4.435 146 HA ARG 20 HA ARG 20 4.998 9.341 -2.911 147 1HB ARG 20 HB2 ARG 20 5.537 11.480 -1.793 148 2HB ARG 20 HB1 ARG 20 5.325 12.311 -3.326 149 1HG ARG 20 HG2 ARG 20 2.962 11.440 -3.329 150 2HG ARG 20 HG1 ARG 20 3.253 10.922 -1.670 151 1HD ARG 20 HD2 ARG 20 2.212 13.125 -1.683 152 2HD ARG 20 HD1 ARG 20 3.853 13.191 -1.028 153 HE ARG 20 HE ARG 20 3.489 13.787 -3.864 154 1HH1 ARG 20 HH11 ARG 20 4.188 15.086 -0.614 155 2HH1 ARG 20 HH12 ARG 20 4.765 16.563 -1.218 156 1HH2 ARG 20 HH21 ARG 20 4.258 15.716 -4.629 157 2HH2 ARG 20 HH22 ARG 20 4.781 16.977 -3.580 158 H ASP 21 HN ASP 21 5.933 11.672 -5.416 159 HA ASP 21 HA ASP 21 3.584 10.949 -6.930 160 1HB ASP 21 HB2 ASP 21 5.647 13.082 -7.461 161 2HB ASP 21 HB1 ASP 21 4.262 12.762 -8.500 162 H LEU 22 HN LEU 22 7.021 10.549 -7.128 163 HA LEU 22 HA LEU 22 8.299 9.115 -8.362 164 1HB LEU 22 HB2 LEU 22 5.612 7.799 -8.700 165 2HB LEU 22 HB1 LEU 22 7.031 7.159 -9.488 166 HG LEU 22 HG LEU 22 6.510 5.910 -7.487 167 1HD1 LEU 22 HD11 LEU 22 8.802 6.071 -8.120 168 2HD1 LEU 22 HD12 LEU 22 8.657 6.038 -6.359 169 3HD1 LEU 22 HD13 LEU 22 8.981 7.557 -7.196 170 1HD2 LEU 22 HD21 LEU 22 5.393 7.629 -6.175 171 2HD2 LEU 22 HD22 LEU 22 6.927 8.481 -5.980 172 3HD2 LEU 22 HD23 LEU 22 6.705 6.887 -5.259 173 H ALA 23 HN ALA 23 7.559 11.482 -9.573 174 HA ALA 23 HA ALA 23 6.541 10.989 -12.199 175 1HB ALA 23 HB1 ALA 23 6.048 13.090 -11.054 176 2HB ALA 23 HB2 ALA 23 6.870 13.380 -12.588 177 3HB ALA 23 HB3 ALA 23 7.762 13.504 -11.073 178 H GLY 24 HN GLY 24 9.441 10.583 -10.825 179 1HA GLY 24 HA2 GLY 24 10.816 10.514 -13.423 180 2HA GLY 24 HA1 GLY 24 11.552 11.399 -12.091 181 H ILE 25 HN ILE 25 9.751 8.544 -11.367 182 HA ILE 25 HA ILE 25 12.233 7.051 -11.102 183 HB ILE 25 HB ILE 25 10.120 7.181 -8.884 184 1HG1 ILE 25 HG12 ILE 25 12.128 7.991 -7.455 185 2HG1 ILE 25 HG11 ILE 25 12.890 8.381 -8.985 186 1HG2 ILE 25 HG21 ILE 25 11.626 5.781 -7.549 187 2HG2 ILE 25 HG22 ILE 25 12.708 5.641 -8.935 188 3HG2 ILE 25 HG23 ILE 25 11.079 4.974 -9.019 189 1HD1 ILE 25 HD11 ILE 25 11.060 9.923 -9.491 190 2HD1 ILE 25 HD12 ILE 25 11.866 10.336 -7.978 191 3HD1 ILE 25 HD13 ILE 25 10.302 9.521 -7.950 192 H ASN 26 HN ASN 26 11.924 4.819 -11.232 193 HA ASN 26 HA ASN 26 9.848 4.056 -13.009 194 1HB ASN 26 HB2 ASN 26 12.033 2.502 -11.666 195 2HB ASN 26 HB1 ASN 26 10.766 1.673 -12.552 196 1HD2 ASN 26 HD21 ASN 26 12.338 0.900 -14.005 197 2HD2 ASN 26 HD22 ASN 26 12.979 1.912 -15.237 198 H LEU 27 HN LEU 27 8.008 3.146 -12.746 199 HA LEU 27 HA LEU 27 7.050 2.617 -10.033 200 1HB LEU 27 HB2 LEU 27 5.625 2.972 -12.676 201 2HB LEU 27 HB1 LEU 27 4.806 2.536 -11.187 202 HG LEU 27 HG LEU 27 6.378 5.100 -11.517 203 1HD1 LEU 27 HD11 LEU 27 4.502 5.079 -13.079 204 2HD1 LEU 27 HD12 LEU 27 4.206 6.199 -11.746 205 3HD1 LEU 27 HD13 LEU 27 3.414 4.619 -11.769 206 1HD2 LEU 27 HD21 LEU 27 6.055 4.284 -9.202 207 2HD2 LEU 27 HD22 LEU 27 4.306 4.254 -9.491 208 3HD2 LEU 27 HD23 LEU 27 5.162 5.770 -9.522 209 H ASP 28 HN ASP 28 8.583 1.048 -12.304 210 HA ASP 28 HA ASP 28 7.098 -1.483 -12.078 211 1HB ASP 28 HB2 ASP 28 9.347 -0.688 -13.941 212 2HB ASP 28 HB1 ASP 28 8.643 -2.297 -13.864 213 H SER 29 HN SER 29 9.285 0.097 -10.371 214 HA SER 29 HA SER 29 11.327 -1.894 -10.101 215 1HB SER 29 HB2 SER 29 10.724 0.544 -8.416 216 2HB SER 29 HB1 SER 29 12.204 -0.414 -8.375 217 HG SER 29 HG SER 29 12.150 1.590 -9.681 218 H SER 30 HN SER 30 11.336 -3.536 -8.703 219 HA SER 30 HA SER 30 9.130 -4.208 -7.090 220 1HB SER 30 HB2 SER 30 11.993 -5.146 -7.027 221 2HB SER 30 HB1 SER 30 10.673 -5.974 -6.218 222 HG SER 30 HG SER 30 11.192 -5.600 -8.960 223 H LEU 31 HN LEU 31 8.950 -4.145 -4.813 224 HA LEU 31 HA LEU 31 9.853 -1.817 -3.581 225 1HB LEU 31 HB2 LEU 31 7.826 -3.233 -2.989 226 2HB LEU 31 HB1 LEU 31 8.926 -4.313 -2.160 227 HG LEU 31 HG LEU 31 9.600 -2.382 -0.708 228 1HD1 LEU 31 HD11 LEU 31 8.058 -0.471 -0.631 229 2HD1 LEU 31 HD12 LEU 31 7.262 -1.122 -2.084 230 3HD1 LEU 31 HD13 LEU 31 8.933 -0.602 -2.163 231 1HD2 LEU 31 HD21 LEU 31 6.698 -3.164 -0.684 232 2HD2 LEU 31 HD22 LEU 31 7.596 -2.468 0.665 233 3HD2 LEU 31 HD23 LEU 31 8.023 -4.065 0.051 234 H ALA 32 HN ALA 32 11.156 -4.991 -3.747 235 HA ALA 32 HA ALA 32 12.999 -4.875 -1.675 236 1HB ALA 32 HB1 ALA 32 12.465 -6.951 -2.829 237 2HB ALA 32 HB2 ALA 32 14.205 -6.668 -2.835 238 3HB ALA 32 HB3 ALA 32 13.257 -6.356 -4.287 239 H ASP 33 HN ASP 33 13.096 -3.658 -4.951 240 HA ASP 33 HA ASP 33 15.889 -3.138 -5.032 241 1HB ASP 33 HB2 ASP 33 13.608 -2.261 -6.788 242 2HB ASP 33 HB1 ASP 33 15.254 -1.729 -7.068 243 H LEU 34 HN LEU 34 13.032 -1.470 -4.208 244 HA LEU 34 HA LEU 34 13.914 1.205 -4.269 245 1HB LEU 34 HB2 LEU 34 11.829 -0.008 -2.484 246 2HB LEU 34 HB1 LEU 34 11.956 1.672 -2.971 247 HG LEU 34 HG LEU 34 11.363 -0.628 -4.818 248 1HD1 LEU 34 HD11 LEU 34 9.561 1.495 -3.728 249 2HD1 LEU 34 HD12 LEU 34 9.643 -0.186 -3.212 250 3HD1 LEU 34 HD13 LEU 34 9.126 0.199 -4.860 251 1HD2 LEU 34 HD21 LEU 34 10.788 1.066 -6.410 252 2HD2 LEU 34 HD22 LEU 34 12.488 1.199 -5.941 253 3HD2 LEU 34 HD23 LEU 34 11.290 2.340 -5.296 254 H GLY 35 HN GLY 35 13.797 -1.197 -1.696 255 1HA GLY 35 HA2 GLY 35 16.076 -0.660 -0.415 256 2HA GLY 35 HA1 GLY 35 15.087 0.686 0.107 257 H LEU 36 HN LEU 36 13.080 -1.994 -0.268 258 HA LEU 36 HA LEU 36 12.720 -2.281 2.458 259 1HB LEU 36 HB2 LEU 36 10.865 -2.984 1.477 260 2HB LEU 36 HB1 LEU 36 11.624 -3.615 0.062 261 HG LEU 36 HG LEU 36 12.156 -5.702 1.402 262 1HD1 LEU 36 HD11 LEU 36 10.388 -4.427 3.479 263 2HD1 LEU 36 HD12 LEU 36 12.112 -4.759 3.642 264 3HD1 LEU 36 HD13 LEU 36 10.969 -6.093 3.490 265 1HD2 LEU 36 HD21 LEU 36 9.266 -4.907 1.235 266 2HD2 LEU 36 HD22 LEU 36 9.880 -6.559 1.356 267 3HD2 LEU 36 HD23 LEU 36 10.244 -5.577 -0.067 268 H ASP 37 HN ASP 37 14.180 -2.757 3.747 269 HA ASP 37 HA ASP 37 16.065 -4.908 3.312 270 1HB ASP 37 HB2 ASP 37 17.198 -3.989 5.260 271 2HB ASP 37 HB1 ASP 37 16.762 -2.653 4.208 272 H SER 38 HN SER 38 13.666 -3.830 5.578 273 HA SER 38 HA SER 38 12.504 -6.349 6.099 274 1HB SER 38 HB2 SER 38 14.543 -6.627 7.491 275 2HB SER 38 HB1 SER 38 14.201 -5.096 8.295 276 HG SER 38 HG SER 38 12.881 -6.085 9.560 277 H LEU 39 HN LEU 39 13.131 -2.995 7.297 278 HA LEU 39 HA LEU 39 10.717 -2.815 8.751 279 1HB LEU 39 HB2 LEU 39 12.591 -1.282 9.149 280 2HB LEU 39 HB1 LEU 39 12.323 -0.553 7.572 281 HG LEU 39 HG LEU 39 10.009 0.030 8.340 282 1HD1 LEU 39 HD11 LEU 39 11.085 -0.731 11.036 283 2HD1 LEU 39 HD12 LEU 39 9.770 -1.511 10.158 284 3HD1 LEU 39 HD13 LEU 39 9.581 0.142 10.739 285 1HD2 LEU 39 HD21 LEU 39 11.750 1.680 8.218 286 2HD2 LEU 39 HD22 LEU 39 12.309 1.240 9.841 287 3HD2 LEU 39 HD23 LEU 39 10.709 1.969 9.617 288 H MET 40 HN MET 40 11.549 -2.056 5.471 289 HA MET 40 HA MET 40 9.020 -0.825 4.832 290 1HB MET 40 HB2 MET 40 11.212 -1.797 3.000 291 2HB MET 40 HB1 MET 40 9.859 -0.766 2.536 292 1HG MET 40 HG2 MET 40 10.642 0.960 4.079 293 2HG MET 40 HG1 MET 40 11.997 -0.070 4.530 294 1HE MET 40 HE1 MET 40 13.851 2.681 2.589 295 2HE MET 40 HE2 MET 40 13.817 1.674 4.035 296 3HE MET 40 HE3 MET 40 12.528 2.838 3.745 297 H GLY 41 HN GLY 41 9.240 -3.608 5.845 298 1HA GLY 41 HA2 GLY 41 7.195 -4.707 4.066 299 2HA GLY 41 HA1 GLY 41 8.499 -5.743 4.663 300 H VAL 42 HN VAL 42 8.798 -4.714 7.241 301 HA VAL 42 HA VAL 42 6.674 -6.028 8.597 302 HB VAL 42 HB VAL 42 8.811 -4.235 9.798 303 1HG1 VAL 42 HG11 VAL 42 8.410 -5.492 11.858 304 2HG1 VAL 42 HG12 VAL 42 7.117 -6.386 11.056 305 3HG1 VAL 42 HG13 VAL 42 6.957 -4.649 11.317 306 1HG2 VAL 42 HG21 VAL 42 8.839 -7.217 9.379 307 2HG2 VAL 42 HG22 VAL 42 10.050 -6.294 10.262 308 3HG2 VAL 42 HG23 VAL 42 9.836 -6.037 8.530 309 H GLU 43 HN GLU 43 7.560 -2.551 8.276 310 HA GLU 43 HA GLU 43 5.435 -1.764 9.948 311 1HB GLU 43 HB2 GLU 43 7.339 -0.258 9.606 312 2HB GLU 43 HB1 GLU 43 6.929 -0.090 7.903 313 1HG GLU 43 HG2 GLU 43 5.008 1.164 8.372 314 2HG GLU 43 HG1 GLU 43 4.990 0.667 10.058 315 H VAL 44 HN VAL 44 5.687 -2.441 6.598 316 HA VAL 44 HA VAL 44 3.223 -1.418 5.699 317 HB VAL 44 HB VAL 44 4.532 -3.988 4.765 318 1HG1 VAL 44 HG11 VAL 44 2.291 -3.668 3.917 319 2HG1 VAL 44 HG12 VAL 44 3.474 -3.485 2.621 320 3HG1 VAL 44 HG13 VAL 44 2.718 -2.060 3.335 321 1HG2 VAL 44 HG21 VAL 44 5.694 -2.644 3.094 322 2HG2 VAL 44 HG22 VAL 44 6.180 -2.253 4.742 323 3HG2 VAL 44 HG23 VAL 44 5.087 -1.172 3.865 324 H ARG 45 HN ARG 45 4.171 -4.593 6.982 325 HA ARG 45 HA ARG 45 1.554 -5.628 6.982 326 1HB ARG 45 HB2 ARG 45 4.052 -6.532 8.345 327 2HB ARG 45 HB1 ARG 45 2.552 -7.409 8.531 328 1HG ARG 45 HG2 ARG 45 2.504 -7.533 5.990 329 2HG ARG 45 HG1 ARG 45 4.179 -6.973 6.054 330 1HD ARG 45 HD2 ARG 45 3.069 -9.426 7.402 331 2HD ARG 45 HD1 ARG 45 4.047 -9.409 5.937 332 HE ARG 45 HE ARG 45 5.862 -8.551 7.260 333 1HH1 ARG 45 HH11 ARG 45 3.134 -9.836 9.174 334 2HH1 ARG 45 HH12 ARG 45 4.135 -10.470 10.395 335 1HH2 ARG 45 HH21 ARG 45 7.223 -9.428 9.019 336 2HH2 ARG 45 HH22 ARG 45 6.446 -10.135 10.365 337 H GLN 46 HN GLN 46 3.157 -3.615 9.239 338 HA GLN 46 HA GLN 46 1.362 -4.148 11.377 339 1HB GLN 46 HB2 GLN 46 3.056 -1.711 10.761 340 2HB GLN 46 HB1 GLN 46 2.086 -1.863 12.221 341 1HG GLN 46 HG2 GLN 46 3.368 -3.752 12.948 342 2HG GLN 46 HG1 GLN 46 4.252 -3.797 11.428 343 1HE2 GLN 46 HE21 GLN 46 3.874 -2.124 14.493 344 2HE2 GLN 46 HE22 GLN 46 5.347 -1.247 14.360 345 H ILE 47 HN ILE 47 1.420 -1.797 8.769 346 HA ILE 47 HA ILE 47 -1.086 -0.600 9.357 347 HB ILE 47 HB ILE 47 0.346 -0.859 6.698 348 1HG1 ILE 47 HG12 ILE 47 0.460 1.388 8.724 349 2HG1 ILE 47 HG11 ILE 47 1.717 0.185 8.482 350 1HG2 ILE 47 HG21 ILE 47 -1.777 1.113 7.591 351 2HG2 ILE 47 HG22 ILE 47 -2.000 -0.196 6.433 352 3HG2 ILE 47 HG23 ILE 47 -0.937 1.155 6.037 353 1HD1 ILE 47 HD11 ILE 47 0.810 2.226 6.454 354 2HD1 ILE 47 HD12 ILE 47 2.074 1.017 6.214 355 3HD1 ILE 47 HD13 ILE 47 2.289 2.290 7.415 356 H LEU 48 HN LEU 48 -0.087 -3.372 7.527 357 HA LEU 48 HA LEU 48 -2.652 -3.861 6.390 358 1HB LEU 48 HB2 LEU 48 -0.253 -5.661 6.551 359 2HB LEU 48 HB1 LEU 48 -1.696 -6.010 5.625 360 HG LEU 48 HG LEU 48 0.192 -3.738 5.191 361 1HD1 LEU 48 HD11 LEU 48 0.744 -4.911 3.095 362 2HD1 LEU 48 HD12 LEU 48 -0.288 -6.249 3.600 363 3HD1 LEU 48 HD13 LEU 48 1.156 -5.847 4.530 364 1HD2 LEU 48 HD21 LEU 48 -1.076 -3.302 3.125 365 2HD2 LEU 48 HD22 LEU 48 -2.040 -3.072 4.584 366 3HD2 LEU 48 HD23 LEU 48 -2.247 -4.531 3.613 367 H GLU 49 HN GLU 49 -0.809 -5.975 8.611 368 HA GLU 49 HA GLU 49 -3.086 -7.525 9.166 369 1HB GLU 49 HB2 GLU 49 -0.363 -7.496 10.454 370 2HB GLU 49 HB1 GLU 49 -1.615 -8.671 10.828 371 1HG GLU 49 HG2 GLU 49 -1.589 -9.426 8.492 372 2HG GLU 49 HG1 GLU 49 -0.328 -8.250 8.138 373 H ARG 50 HN ARG 50 -1.813 -4.698 10.813 374 HA ARG 50 HA ARG 50 -3.346 -5.417 13.172 375 1HB ARG 50 HB2 ARG 50 -1.152 -4.317 13.442 376 2HB ARG 50 HB1 ARG 50 -1.776 -2.896 12.623 377 1HG ARG 50 HG2 ARG 50 -3.427 -2.621 14.438 378 2HG ARG 50 HG1 ARG 50 -2.697 -3.997 15.268 379 1HD ARG 50 HD2 ARG 50 -1.801 -1.963 16.198 380 2HD ARG 50 HD1 ARG 50 -0.532 -2.777 15.277 381 HE ARG 50 HE ARG 50 -2.019 -0.817 13.783 382 1HH1 ARG 50 HH11 ARG 50 0.794 -1.250 15.924 383 2HH1 ARG 50 HH12 ARG 50 1.577 0.151 15.385 384 1HH2 ARG 50 HH21 ARG 50 -0.942 1.073 13.066 385 2HH2 ARG 50 HH22 ARG 50 0.603 1.489 13.674 386 H GLU 51 HN GLU 51 -3.343 -2.717 10.861 387 HA GLU 51 HA GLU 51 -5.600 -1.440 11.941 388 1HB GLU 51 HB2 GLU 51 -4.584 -1.233 9.115 389 2HB GLU 51 HB1 GLU 51 -5.616 -0.080 9.941 390 1HG GLU 51 HG2 GLU 51 -2.740 -0.717 10.546 391 2HG GLU 51 HG1 GLU 51 -3.396 0.786 9.895 392 H HIS 52 HN HIS 52 -5.366 -3.482 9.034 393 HA HIS 52 HA HIS 52 -8.321 -3.546 9.041 394 1HB HIS 52 HB2 HIS 52 -7.284 -2.180 7.219 395 2HB HIS 52 HB1 HIS 52 -6.442 -3.605 6.679 396 HD1 HIS 52 HD1 HIS 52 -7.535 -3.109 4.374 397 HD2 HIS 52 HD2 HIS 52 -10.246 -4.102 7.350 398 HE1 HIS 52 HE1 HIS 52 -9.670 -3.679 3.179 399 HE2 HIS 52 HE2 HIS 52 -11.346 -3.873 5.026 400 H ASP 53 HN ASP 53 -5.825 -5.357 9.832 401 HA ASP 53 HA ASP 53 -5.187 -7.522 9.846 402 1HB ASP 53 HB2 ASP 53 -7.257 -7.705 11.183 403 2HB ASP 53 HB1 ASP 53 -8.185 -7.993 9.723 404 H LEU 54 HN LEU 54 -4.183 -7.233 7.873 405 HA LEU 54 HA LEU 54 -5.369 -8.720 5.623 406 1HB LEU 54 HB2 LEU 54 -5.378 -6.164 5.413 407 2HB LEU 54 HB1 LEU 54 -3.659 -6.280 5.493 408 HG LEU 54 HG LEU 54 -3.522 -7.469 3.417 409 1HD1 LEU 54 HD11 LEU 54 -6.537 -7.296 3.376 410 2HD1 LEU 54 HD12 LEU 54 -5.599 -8.776 3.598 411 3HD1 LEU 54 HD13 LEU 54 -5.516 -7.896 2.069 412 1HD2 LEU 54 HD21 LEU 54 -4.386 -5.696 1.978 413 2HD2 LEU 54 HD22 LEU 54 -3.602 -5.060 3.440 414 3HD2 LEU 54 HD23 LEU 54 -5.354 -5.116 3.341 415 H VAL 55 HN VAL 55 -4.072 -10.525 5.548 416 HA VAL 55 HA VAL 55 -1.304 -10.223 6.335 417 HB VAL 55 HB VAL 55 -2.688 -12.788 5.511 418 1HG1 VAL 55 HG11 VAL 55 -0.799 -13.876 6.670 419 2HG1 VAL 55 HG12 VAL 55 -0.089 -12.289 6.964 420 3HG1 VAL 55 HG13 VAL 55 -0.253 -12.885 5.315 421 1HG2 VAL 55 HG21 VAL 55 -2.836 -13.276 7.908 422 2HG2 VAL 55 HG22 VAL 55 -3.766 -11.836 7.485 423 3HG2 VAL 55 HG23 VAL 55 -2.195 -11.676 8.273 424 H LEU 56 HN LEU 56 -0.536 -9.022 4.687 425 HA LEU 56 HA LEU 56 -0.064 -10.570 2.253 426 1HB LEU 56 HB2 LEU 56 0.280 -7.602 2.694 427 2HB LEU 56 HB1 LEU 56 0.639 -8.446 1.207 428 HG LEU 56 HG LEU 56 -2.114 -8.082 2.399 429 1HD1 LEU 56 HD11 LEU 56 -2.513 -6.668 0.452 430 2HD1 LEU 56 HD12 LEU 56 -0.836 -6.888 -0.050 431 3HD1 LEU 56 HD13 LEU 56 -1.203 -6.036 1.451 432 1HD2 LEU 56 HD21 LEU 56 -1.919 -10.220 1.232 433 2HD2 LEU 56 HD22 LEU 56 -1.258 -9.399 -0.182 434 3HD2 LEU 56 HD23 LEU 56 -2.925 -9.097 0.314 435 HA PRO 57 HA PRO 57 3.734 -11.056 4.559 436 1HB PRO 57 HB2 PRO 57 4.374 -12.935 2.415 437 2HB PRO 57 HB1 PRO 57 4.144 -13.259 4.138 438 1HG PRO 57 HG2 PRO 57 2.377 -14.094 2.290 439 2HG PRO 57 HG1 PRO 57 1.855 -13.556 3.897 440 1HD PRO 57 HD2 PRO 57 1.843 -12.076 1.306 441 2HD PRO 57 HD1 PRO 57 0.577 -12.175 2.553 442 H ILE 58 HN ILE 58 6.115 -11.185 3.845 443 HA ILE 58 HA ILE 58 6.663 -8.983 2.132 444 HB ILE 58 HB ILE 58 8.552 -11.020 3.421 445 1HG1 ILE 58 HG12 ILE 58 9.370 -9.018 4.713 446 2HG1 ILE 58 HG11 ILE 58 8.066 -8.088 3.999 447 1HG2 ILE 58 HG21 ILE 58 10.449 -9.631 2.727 448 2HG2 ILE 58 HG22 ILE 58 9.358 -8.619 1.782 449 3HG2 ILE 58 HG23 ILE 58 9.589 -10.310 1.346 450 1HD1 ILE 58 HD11 ILE 58 6.447 -9.525 5.112 451 2HD1 ILE 58 HD12 ILE 58 7.563 -8.778 6.262 452 3HD1 ILE 58 HD13 ILE 58 7.763 -10.470 5.807 453 H ARG 59 HN ARG 59 6.398 -12.367 1.800 454 HA ARG 59 HA ARG 59 7.592 -12.713 -0.745 455 1HB ARG 59 HB2 ARG 59 5.325 -14.305 0.490 456 2HB ARG 59 HB1 ARG 59 6.160 -14.750 -0.983 457 1HG ARG 59 HG2 ARG 59 7.122 -16.104 0.629 458 2HG ARG 59 HG1 ARG 59 8.278 -14.784 0.474 459 1HD ARG 59 HD2 ARG 59 7.219 -13.716 2.453 460 2HD ARG 59 HD1 ARG 59 6.194 -15.138 2.627 461 HE ARG 59 HE ARG 59 9.063 -15.516 2.562 462 1HH1 ARG 59 HH11 ARG 59 6.050 -15.661 4.437 463 2HH1 ARG 59 HH12 ARG 59 6.780 -16.165 5.886 464 1HH2 ARG 59 HH21 ARG 59 10.085 -16.257 4.560 465 2HH2 ARG 59 HH22 ARG 59 9.131 -16.521 5.958 466 H GLU 60 HN GLU 60 4.927 -10.951 0.102 467 HA GLU 60 HA GLU 60 3.802 -10.987 -2.618 468 1HB GLU 60 HB2 GLU 60 2.263 -11.557 -0.719 469 2HB GLU 60 HB1 GLU 60 2.598 -9.980 -0.027 470 1HG GLU 60 HG2 GLU 60 0.486 -9.954 -1.133 471 2HG GLU 60 HG1 GLU 60 1.617 -8.932 -2.026 472 H VAL 61 HN VAL 61 4.397 -8.918 0.186 473 HA VAL 61 HA VAL 61 4.091 -6.471 -1.059 474 HB VAL 61 HB VAL 61 5.558 -7.124 1.516 475 1HG1 VAL 61 HG11 VAL 61 6.199 -4.910 0.732 476 2HG1 VAL 61 HG12 VAL 61 5.157 -4.797 2.151 477 3HG1 VAL 61 HG13 VAL 61 4.501 -4.479 0.545 478 1HG2 VAL 61 HG21 VAL 61 2.730 -6.226 1.010 479 2HG2 VAL 61 HG22 VAL 61 3.467 -6.461 2.593 480 3HG2 VAL 61 HG23 VAL 61 3.236 -7.840 1.515 481 H ARG 62 HN ARG 62 6.999 -8.416 -0.770 482 HA ARG 62 HA ARG 62 8.832 -6.323 -1.258 483 1HB ARG 62 HB2 ARG 62 9.456 -8.388 -0.138 484 2HB ARG 62 HB1 ARG 62 9.120 -9.307 -1.592 485 1HG ARG 62 HG2 ARG 62 11.007 -8.412 -2.686 486 2HG ARG 62 HG1 ARG 62 11.230 -7.193 -1.422 487 1HD ARG 62 HD2 ARG 62 11.775 -8.896 0.190 488 2HD ARG 62 HD1 ARG 62 11.390 -10.171 -0.961 489 HE ARG 62 HE ARG 62 13.289 -9.555 -2.226 490 1HH1 ARG 62 HH11 ARG 62 13.185 -7.968 0.951 491 2HH1 ARG 62 HH12 ARG 62 14.871 -7.912 1.165 492 1HH2 ARG 62 HH21 ARG 62 15.628 -9.500 -1.924 493 2HH2 ARG 62 HH22 ARG 62 16.319 -8.823 -0.533 494 H GLN 63 HN GLN 63 6.717 -7.898 -3.346 495 HA GLN 63 HA GLN 63 8.328 -7.082 -5.666 496 1HB GLN 63 HB2 GLN 63 6.069 -9.101 -5.662 497 2HB GLN 63 HB1 GLN 63 7.070 -8.654 -7.038 498 1HG GLN 63 HG2 GLN 63 8.345 -10.380 -6.505 499 2HG GLN 63 HG1 GLN 63 8.903 -9.421 -5.135 500 1HE2 GLN 63 HE21 GLN 63 6.090 -9.645 -3.976 501 2HE2 GLN 63 HE22 GLN 63 6.066 -11.236 -3.328 502 H LEU 64 HN LEU 64 6.125 -5.802 -3.779 503 HA LEU 64 HA LEU 64 4.181 -5.034 -5.726 504 1HB LEU 64 HB2 LEU 64 4.781 -3.723 -3.064 505 2HB LEU 64 HB1 LEU 64 3.373 -3.428 -4.052 506 HG LEU 64 HG LEU 64 4.026 -5.952 -2.552 507 1HD1 LEU 64 HD11 LEU 64 1.986 -5.435 -1.304 508 2HD1 LEU 64 HD12 LEU 64 1.815 -3.938 -2.225 509 3HD1 LEU 64 HD13 LEU 64 3.196 -4.160 -1.152 510 1HD2 LEU 64 HD21 LEU 64 1.906 -6.836 -3.308 511 2HD2 LEU 64 HD22 LEU 64 2.930 -6.476 -4.699 512 3HD2 LEU 64 HD23 LEU 64 1.611 -5.388 -4.258 513 H THR 65 HN THR 65 4.544 -3.654 -7.296 514 HA THR 65 HA THR 65 6.974 -2.222 -7.379 515 HB THR 65 HB THR 65 6.027 -1.690 -9.690 516 HG1 THR 65 HG1 THR 65 4.049 -2.358 -10.042 517 1HG2 THR 65 HG21 THR 65 7.623 -3.442 -9.212 518 2HG2 THR 65 HG22 THR 65 6.424 -3.970 -10.432 519 3HG2 THR 65 HG23 THR 65 6.280 -4.489 -8.731 520 H LEU 66 HN LEU 66 6.601 -0.736 -5.758 521 HA LEU 66 HA LEU 66 6.019 1.201 -4.758 522 1HB LEU 66 HB2 LEU 66 7.373 1.790 -6.937 523 2HB LEU 66 HB1 LEU 66 5.862 2.514 -7.443 524 HG LEU 66 HG LEU 66 7.303 4.226 -6.521 525 1HD1 LEU 66 HD11 LEU 66 4.915 4.500 -6.040 526 2HD1 LEU 66 HD12 LEU 66 5.929 5.167 -4.758 527 3HD1 LEU 66 HD13 LEU 66 5.131 3.626 -4.522 528 1HD2 LEU 66 HD21 LEU 66 7.383 2.550 -4.035 529 2HD2 LEU 66 HD22 LEU 66 8.061 4.170 -4.206 530 3HD2 LEU 66 HD23 LEU 66 8.716 2.833 -5.151 531 H ARG 67 HN ARG 67 4.127 1.788 -7.706 532 HA ARG 67 HA ARG 67 1.965 2.811 -6.173 533 1HB ARG 67 HB2 ARG 67 2.323 2.245 -9.070 534 2HB ARG 67 HB1 ARG 67 0.771 2.804 -8.437 535 1HG ARG 67 HG2 ARG 67 3.426 4.235 -8.297 536 2HG ARG 67 HG1 ARG 67 2.016 4.707 -9.254 537 1HD ARG 67 HD2 ARG 67 0.740 4.992 -7.137 538 2HD ARG 67 HD1 ARG 67 2.180 4.571 -6.255 539 HE ARG 67 HE ARG 67 3.198 6.565 -6.838 540 1HH1 ARG 67 HH11 ARG 67 -0.045 6.448 -8.216 541 2HH1 ARG 67 HH12 ARG 67 -0.332 8.126 -8.070 542 1HH2 ARG 67 HH21 ARG 67 2.778 8.901 -6.574 543 2HH2 ARG 67 HH22 ARG 67 1.322 9.551 -7.127 544 H LYS 68 HN LYS 68 2.808 -0.290 -7.190 545 HA LYS 68 HA LYS 68 0.216 -1.415 -6.993 546 1HB LYS 68 HB2 LYS 68 2.127 -2.593 -8.060 547 2HB LYS 68 HB1 LYS 68 2.897 -2.710 -6.488 548 1HG LYS 68 HG2 LYS 68 1.231 -4.207 -5.697 549 2HG LYS 68 HG1 LYS 68 0.263 -3.982 -7.151 550 1HD LYS 68 HD2 LYS 68 3.079 -5.009 -7.268 551 2HD LYS 68 HD1 LYS 68 1.704 -6.094 -7.037 552 1HE LYS 68 HE2 LYS 68 1.964 -4.161 -9.342 553 2HE LYS 68 HE1 LYS 68 2.498 -5.840 -9.415 554 1HZ LYS 68 HZ1 LYS 68 -0.314 -4.956 -8.888 555 2HZ LYS 68 HZ2 LYS 68 0.256 -6.529 -8.889 556 3HZ LYS 68 HZ3 LYS 68 0.268 -5.652 -10.321 557 H LEU 69 HN LEU 69 2.478 -0.274 -4.699 558 HA LEU 69 HA LEU 69 1.416 -1.466 -2.338 559 1HB LEU 69 HB2 LEU 69 2.859 1.152 -2.758 560 2HB LEU 69 HB1 LEU 69 2.175 0.771 -1.205 561 HG LEU 69 HG LEU 69 4.542 0.367 -1.192 562 1HD1 LEU 69 HD11 LEU 69 3.246 -1.082 0.185 563 2HD1 LEU 69 HD12 LEU 69 4.634 -1.951 -0.471 564 3HD1 LEU 69 HD13 LEU 69 3.029 -2.214 -1.149 565 1HD2 LEU 69 HD21 LEU 69 4.930 -0.032 -3.556 566 2HD2 LEU 69 HD22 LEU 69 4.101 -1.584 -3.445 567 3HD2 LEU 69 HD23 LEU 69 5.615 -1.330 -2.578 568 H GLN 70 HN GLN 70 0.168 1.087 -4.382 569 HA GLN 70 HA GLN 70 -1.958 1.464 -2.442 570 1HB GLN 70 HB2 GLN 70 -2.679 3.413 -3.954 571 2HB GLN 70 HB1 GLN 70 -1.291 3.610 -2.901 572 1HG GLN 70 HG2 GLN 70 0.193 3.253 -4.807 573 2HG GLN 70 HG1 GLN 70 -1.206 2.982 -5.822 574 1HE2 GLN 70 HE21 GLN 70 -1.958 4.597 -6.872 575 2HE2 GLN 70 HE22 GLN 70 -1.758 6.273 -6.467 576 H GLU 71 HN GLU 71 -1.432 -0.602 -4.461 577 HA GLU 71 HA GLU 71 -4.050 -0.633 -5.785 578 1HB GLU 71 HB2 GLU 71 -2.089 -0.994 -7.218 579 2HB GLU 71 HB1 GLU 71 -1.553 -2.295 -6.171 580 1HG GLU 71 HG2 GLU 71 -3.544 -3.576 -6.793 581 2HG GLU 71 HG1 GLU 71 -4.015 -2.274 -7.889 582 H MET 72 HN MET 72 -1.809 -2.294 -3.687 583 HA MET 72 HA MET 72 -3.810 -4.274 -2.882 584 1HB MET 72 HB2 MET 72 -0.857 -4.088 -2.230 585 2HB MET 72 HB1 MET 72 -1.922 -5.412 -1.779 586 1HG MET 72 HG2 MET 72 -1.114 -4.629 -4.578 587 2HG MET 72 HG1 MET 72 -0.549 -6.017 -3.661 588 1HE MET 72 HE1 MET 72 -2.790 -7.610 -6.480 589 2HE MET 72 HE2 MET 72 -1.171 -7.531 -5.779 590 3HE MET 72 HE3 MET 72 -1.832 -6.138 -6.632 591 H SER 73 HN SER 73 -3.343 -1.276 -2.137 592 HA SER 73 HA SER 73 -2.598 -1.010 0.523 593 1HB SER 73 HB2 SER 73 -3.882 1.194 0.199 594 2HB SER 73 HB1 SER 73 -2.576 0.836 -0.912 595 HG SER 73 HG SER 73 -4.711 1.500 -1.878 596 H SER 74 HN SER 74 -5.699 -1.568 -1.011 597 HA SER 74 HA SER 74 -7.626 -2.443 -0.349 598 1HB SER 74 HB2 SER 74 -6.182 -3.346 2.138 599 2HB SER 74 HB1 SER 74 -7.677 -4.012 1.477 600 HG SER 74 HG SER 74 -5.123 -3.982 0.302 601 H LYS 75 HN LYS 75 -8.238 -0.195 -0.234 602 HA LYS 75 HA LYS 75 -8.540 1.232 2.196 603 1HB LYS 75 HB2 LYS 75 -10.208 1.394 -0.321 604 2HB LYS 75 HB1 LYS 75 -10.205 2.580 0.973 605 1HG LYS 75 HG2 LYS 75 -7.805 1.853 -0.678 606 2HG LYS 75 HG1 LYS 75 -8.857 3.234 -0.987 607 1HD LYS 75 HD2 LYS 75 -8.273 4.216 1.128 608 2HD LYS 75 HD1 LYS 75 -7.364 2.773 1.589 609 1HE LYS 75 HE2 LYS 75 -5.883 4.568 0.850 610 2HE LYS 75 HE1 LYS 75 -5.790 3.165 -0.209 611 1HZ LYS 75 HZ1 LYS 75 -5.828 5.116 -1.523 612 2HZ LYS 75 HZ2 LYS 75 -7.162 5.754 -0.790 613 3HZ LYS 75 HZ3 LYS 75 -7.318 4.380 -1.767 614 H ALA 76 HN ALA 76 -10.596 -1.023 0.481 615 HA ALA 76 HA ALA 76 -11.997 -1.632 2.928 616 1HB ALA 76 HB1 ALA 76 -13.433 -0.765 0.413 617 2HB ALA 76 HB2 ALA 76 -13.381 0.123 1.934 618 3HB ALA 76 HB3 ALA 76 -14.194 -1.439 1.851 619 H GLY 77 HN GLY 77 -13.034 -3.665 2.761 620 1HA GLY 77 HA2 GLY 77 -11.644 -5.585 1.246 621 2HA GLY 77 HA1 GLY 77 -13.140 -5.868 2.129 622 H SER 78 HN SER 78 -11.818 -6.102 -0.804 623 HA SER 78 HA SER 78 -13.471 -4.959 -2.667 624 1HB SER 78 HB2 SER 78 -12.274 -7.713 -2.893 625 2HB SER 78 HB1 SER 78 -12.490 -6.499 -4.159 626 HG SER 78 HG SER 78 -10.639 -5.665 -3.638 627 H ASP 79 HN ASP 79 -15.615 -5.192 -2.936 628 HA ASP 79 HA ASP 79 -17.082 -7.361 -1.751 629 1HB ASP 79 HB2 ASP 79 -17.957 -5.050 -1.782 630 2HB ASP 79 HB1 ASP 79 -18.025 -5.109 -3.540 631 H THR 80 HN THR 80 -18.287 -8.953 -2.865 632 HA THR 80 HA THR 80 -17.103 -9.633 -5.440 633 HB THR 80 HB THR 80 -18.964 -11.296 -3.717 634 HG1 THR 80 HG1 THR 80 -17.084 -10.783 -2.527 635 1HG2 THR 80 HG21 THR 80 -16.964 -12.053 -5.864 636 2HG2 THR 80 HG22 THR 80 -18.718 -12.055 -6.044 637 3HG2 THR 80 HG23 THR 80 -17.941 -13.184 -4.931 638 H GLU 81 HN GLU 81 -20.284 -9.312 -3.917 639 HA GLU 81 HA GLU 81 -21.517 -8.760 -6.522 640 1HB GLU 81 HB2 GLU 81 -21.745 -11.191 -6.147 641 2HB GLU 81 HB1 GLU 81 -22.479 -10.878 -4.583 642 1HG GLU 81 HG2 GLU 81 -24.193 -11.446 -6.133 643 2HG GLU 81 HG1 GLU 81 -24.339 -9.732 -5.748 644 H LEU 82 HN LEU 82 -22.417 -9.484 -3.203 645 HA LEU 82 HA LEU 82 -23.250 -6.797 -2.628 646 1HB LEU 82 HB2 LEU 82 -25.109 -9.188 -2.545 647 2HB LEU 82 HB1 LEU 82 -25.407 -7.715 -1.650 648 HG LEU 82 HG LEU 82 -25.267 -7.899 -4.663 649 1HD1 LEU 82 HD11 LEU 82 -27.639 -7.646 -2.813 650 2HD1 LEU 82 HD12 LEU 82 -27.216 -9.074 -3.756 651 3HD1 LEU 82 HD13 LEU 82 -27.690 -7.584 -4.575 652 1HD2 LEU 82 HD21 LEU 82 -26.176 -5.634 -4.595 653 2HD2 LEU 82 HD22 LEU 82 -24.617 -5.715 -3.770 654 3HD2 LEU 82 HD23 LEU 82 -26.111 -5.653 -2.833 655 H ALA 83 HN ALA 83 -23.124 -6.485 -0.417 656 HA ALA 83 HA ALA 83 -21.503 -8.391 0.957 657 1HB ALA 83 HB1 ALA 83 -21.554 -6.827 2.831 658 2HB ALA 83 HB2 ALA 83 -22.811 -5.886 2.025 659 3HB ALA 83 HB3 ALA 83 -21.194 -5.987 1.325 660 H ALA 84 HN ALA 84 -22.627 -10.207 1.170 661 HA ALA 84 HA ALA 84 -25.252 -10.381 2.246 662 1HB ALA 84 HB1 ALA 84 -24.316 -12.158 0.829 663 2HB ALA 84 HB2 ALA 84 -24.771 -12.794 2.410 664 3HB ALA 84 HB3 ALA 84 -23.076 -12.476 2.042 665 HA PRO 85 HA PRO 85 -24.154 -9.036 6.338 666 1HB PRO 85 HB2 PRO 85 -26.347 -10.431 7.475 667 2HB PRO 85 HB1 PRO 85 -26.273 -8.725 7.029 668 1HG PRO 85 HG2 PRO 85 -27.391 -11.029 5.525 669 2HG PRO 85 HG1 PRO 85 -27.899 -9.332 5.531 670 1HD PRO 85 HD2 PRO 85 -26.576 -10.371 3.461 671 2HD PRO 85 HD1 PRO 85 -26.257 -8.711 4.007 672 H LYS 86 HN LYS 86 -22.403 -10.004 7.050 673 HA LYS 86 HA LYS 86 -22.344 -12.857 7.640 674 1HB LYS 86 HB2 LYS 86 -20.187 -10.872 8.341 675 2HB LYS 86 HB1 LYS 86 -20.021 -12.576 7.953 676 1HG LYS 86 HG2 LYS 86 -20.665 -12.004 5.598 677 2HG LYS 86 HG1 LYS 86 -20.564 -10.306 6.054 678 1HD LYS 86 HD2 LYS 86 -18.490 -10.857 5.064 679 2HD LYS 86 HD1 LYS 86 -18.195 -10.788 6.805 680 1HE LYS 86 HE2 LYS 86 -17.105 -12.740 5.843 681 2HE LYS 86 HE1 LYS 86 -18.417 -13.238 6.917 682 1HZ LYS 86 HZ1 LYS 86 -18.625 -13.026 3.967 683 2HZ LYS 86 HZ2 LYS 86 -19.827 -13.620 4.979 684 3HZ LYS 86 HZ3 LYS 86 -18.376 -14.478 4.789 685 H SER 87 HN SER 87 -22.037 -9.716 9.112 686 HA SER 87 HA SER 87 -22.787 -10.820 11.703 687 1HB SER 87 HB2 SER 87 -21.197 -8.317 11.053 688 2HB SER 87 HB1 SER 87 -21.573 -8.927 12.667 689 HG SER 87 HG SER 87 -20.541 -10.921 11.837 690 H LYS 88 HN LYS 88 -24.919 -10.515 11.782 691 HA LYS 88 HA LYS 88 -26.355 -8.479 10.457 692 1HB LYS 88 HB2 LYS 88 -27.128 -10.092 12.907 693 2HB LYS 88 HB1 LYS 88 -28.240 -9.119 11.956 694 1HG LYS 88 HG2 LYS 88 -27.838 -10.544 10.010 695 2HG LYS 88 HG1 LYS 88 -26.694 -11.503 10.945 696 1HD LYS 88 HD2 LYS 88 -29.620 -11.176 11.631 697 2HD LYS 88 HD1 LYS 88 -28.954 -12.540 10.733 698 1HE LYS 88 HE2 LYS 88 -27.540 -13.107 12.658 699 2HE LYS 88 HE1 LYS 88 -28.200 -11.735 13.546 700 1HZ LYS 88 HZ1 LYS 88 -29.797 -14.052 12.562 701 2HZ LYS 88 HZ2 LYS 88 -30.370 -12.763 13.505 702 3HZ LYS 88 HZ3 LYS 88 -29.258 -13.848 14.139 703 H ASN 89 HN ASN 89 -25.850 -8.861 13.931 704 HA ASN 89 HA ASN 89 -25.485 -7.462 15.635 705 1HB ASN 89 HB2 ASN 89 -23.882 -6.040 13.506 706 2HB ASN 89 HB1 ASN 89 -23.823 -5.618 15.210 707 1HD2 ASN 89 HD21 ASN 89 -21.639 -6.073 15.249 708 2HD2 ASN 89 HD22 ASN 89 -21.008 -7.679 15.278 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 -11.888 6.152 -0.161 2 2H GLY 1 HT2 GLY 1 -10.775 6.931 -1.209 3 3H GLY 1 HT3 GLY 1 -11.154 7.594 0.265 4 1HA GLY 1 HA1 GLY 1 -10.105 5.810 1.450 5 2HA GLY 1 HA2 GLY 1 -9.815 4.972 -0.067 6 H ASP 2 HN ASP 2 -9.253 8.218 1.345 7 HA ASP 2 HA ASP 2 -6.693 8.258 -0.072 8 1HB ASP 2 HB2 ASP 2 -6.692 10.663 0.165 9 2HB ASP 2 HB1 ASP 2 -8.242 10.160 -0.500 10 H GLY 3 HN GLY 3 -8.116 8.413 3.120 11 1HA GLY 3 HA2 GLY 3 -6.384 7.272 4.671 12 2HA GLY 3 HA1 GLY 3 -5.398 8.655 4.228 13 H GLU 4 HN GLU 4 -8.819 8.353 5.091 14 HA GLU 4 HA GLU 4 -8.679 10.630 6.842 15 1HB GLU 4 HB2 GLU 4 -11.081 10.089 7.255 16 2HB GLU 4 HB1 GLU 4 -10.695 10.238 5.548 17 1HG GLU 4 HG2 GLU 4 -10.453 7.693 5.583 18 2HG GLU 4 HG1 GLU 4 -11.293 7.773 7.132 19 H ALA 5 HN ALA 5 -8.868 7.188 7.125 20 HA ALA 5 HA ALA 5 -7.761 7.229 9.792 21 1HB ALA 5 HB1 ALA 5 -10.164 6.781 10.144 22 2HB ALA 5 HB2 ALA 5 -9.255 5.281 10.339 23 3HB ALA 5 HB3 ALA 5 -10.144 5.583 8.849 24 H GLN 6 HN GLN 6 -6.160 5.606 9.838 25 HA GLN 6 HA GLN 6 -4.597 4.255 9.005 26 1HB GLN 6 HB2 GLN 6 -6.370 2.611 8.433 27 2HB GLN 6 HB1 GLN 6 -6.692 3.468 6.937 28 1HG GLN 6 HG2 GLN 6 -4.368 2.924 6.213 29 2HG GLN 6 HG1 GLN 6 -4.209 1.929 7.660 30 1HE2 GLN 6 HE21 GLN 6 -4.087 1.140 4.880 31 2HE2 GLN 6 HE22 GLN 6 -5.325 -0.029 4.636 32 H ARG 7 HN ARG 7 -2.954 5.251 8.129 33 HA ARG 7 HA ARG 7 -3.470 7.368 6.265 34 1HB ARG 7 HB2 ARG 7 -1.124 7.925 6.317 35 2HB ARG 7 HB1 ARG 7 -1.677 7.617 7.949 36 1HG ARG 7 HG2 ARG 7 -0.553 5.458 7.939 37 2HG ARG 7 HG1 ARG 7 -0.062 5.705 6.253 38 1HD ARG 7 HD2 ARG 7 1.092 7.790 6.966 39 2HD ARG 7 HD1 ARG 7 0.714 7.391 8.632 40 HE ARG 7 HE ARG 7 2.064 5.215 7.916 41 1HH1 ARG 7 HH11 ARG 7 2.766 8.590 7.130 42 2HH1 ARG 7 HH12 ARG 7 4.469 8.400 7.213 43 1HH2 ARG 7 HH21 ARG 7 4.491 4.954 7.880 44 2HH2 ARG 7 HH22 ARG 7 5.416 6.343 7.630 45 H ASP 8 HN ASP 8 -2.483 7.651 4.180 46 HA ASP 8 HA ASP 8 -3.014 5.450 2.512 47 1HB ASP 8 HB2 ASP 8 -3.263 7.671 1.593 48 2HB ASP 8 HB1 ASP 8 -1.580 8.053 1.936 49 H LEU 9 HN LEU 9 -1.887 3.822 2.069 50 HA LEU 9 HA LEU 9 0.455 3.052 3.277 51 1HB LEU 9 HB2 LEU 9 -1.500 1.845 2.049 52 2HB LEU 9 HB1 LEU 9 -0.499 2.045 0.631 53 HG LEU 9 HG LEU 9 0.363 0.674 3.120 54 1HD1 LEU 9 HD11 LEU 9 -0.757 -0.475 0.556 55 2HD1 LEU 9 HD12 LEU 9 -1.512 -0.531 2.158 56 3HD1 LEU 9 HD13 LEU 9 -0.033 -1.437 1.843 57 1HD2 LEU 9 HD21 LEU 9 2.089 -0.338 1.658 58 2HD2 LEU 9 HD22 LEU 9 2.200 1.428 1.729 59 3HD2 LEU 9 HD23 LEU 9 1.465 0.645 0.331 60 H VAL 10 HN VAL 10 -0.032 4.630 0.181 61 HA VAL 10 HA VAL 10 2.670 4.172 -0.611 62 HB VAL 10 HB VAL 10 0.554 5.932 -1.857 63 1HG1 VAL 10 HG11 VAL 10 2.841 6.619 -2.525 64 2HG1 VAL 10 HG12 VAL 10 1.971 5.870 -3.864 65 3HG1 VAL 10 HG13 VAL 10 3.192 4.953 -2.984 66 1HG2 VAL 10 HG21 VAL 10 -0.003 3.579 -1.707 67 2HG2 VAL 10 HG22 VAL 10 1.515 3.159 -2.500 68 3HG2 VAL 10 HG23 VAL 10 0.280 4.078 -3.363 69 H LYS 11 HN LYS 11 0.874 6.982 0.587 70 HA LYS 11 HA LYS 11 3.257 8.587 0.588 71 1HB LYS 11 HB2 LYS 11 0.651 9.096 2.035 72 2HB LYS 11 HB1 LYS 11 1.931 10.278 1.747 73 1HG LYS 11 HG2 LYS 11 1.621 10.043 -0.644 74 2HG LYS 11 HG1 LYS 11 0.345 8.863 -0.366 75 1HD LYS 11 HD2 LYS 11 -0.832 10.688 0.944 76 2HD LYS 11 HD1 LYS 11 0.353 11.798 0.230 77 1HE LYS 11 HE2 LYS 11 -1.580 11.800 -1.178 78 2HE LYS 11 HE1 LYS 11 -0.291 10.927 -2.009 79 1HZ LYS 11 HZ1 LYS 11 -1.350 8.813 -1.161 80 2HZ LYS 11 HZ2 LYS 11 -2.346 9.708 -2.219 81 3HZ LYS 11 HZ3 LYS 11 -2.591 9.795 -0.562 82 H ALA 12 HN ALA 12 2.592 6.049 2.286 83 HA ALA 12 HA ALA 12 3.971 6.897 4.711 84 1HB ALA 12 HB1 ALA 12 2.681 4.260 3.957 85 2HB ALA 12 HB2 ALA 12 1.989 5.484 5.025 86 3HB ALA 12 HB3 ALA 12 3.446 4.615 5.508 87 H VAL 13 HN VAL 13 4.041 4.133 2.477 88 HA VAL 13 HA VAL 13 6.683 3.385 3.050 89 HB VAL 13 HB VAL 13 4.880 2.631 0.732 90 1HG1 VAL 13 HG11 VAL 13 7.206 2.274 0.101 91 2HG1 VAL 13 HG12 VAL 13 6.365 0.738 0.361 92 3HG1 VAL 13 HG13 VAL 13 7.477 1.356 1.590 93 1HG2 VAL 13 HG21 VAL 13 5.602 1.203 3.287 94 2HG2 VAL 13 HG22 VAL 13 4.577 0.561 2.005 95 3HG2 VAL 13 HG23 VAL 13 4.058 1.972 2.924 96 H ALA 14 HN ALA 14 5.366 5.250 0.293 97 HA ALA 14 HA ALA 14 7.913 5.417 -0.958 98 1HB ALA 14 HB1 ALA 14 5.796 5.648 -2.261 99 2HB ALA 14 HB2 ALA 14 6.854 7.030 -2.504 100 3HB ALA 14 HB3 ALA 14 5.457 7.158 -1.435 101 H HIS 15 HN HIS 15 6.338 7.126 1.551 102 HA HIS 15 HA HIS 15 8.011 9.461 1.345 103 1HB HIS 15 HB2 HIS 15 5.687 9.581 2.245 104 2HB HIS 15 HB1 HIS 15 6.189 8.618 3.621 105 HD1 HIS 15 HD1 HIS 15 7.139 11.982 2.037 106 HD2 HIS 15 HD2 HIS 15 6.850 10.147 5.764 107 HE1 HIS 15 HE1 HIS 15 7.633 13.768 3.708 108 HE2 HIS 15 HE2 HIS 15 6.983 12.722 5.878 109 H ILE 16 HN ILE 16 8.368 6.338 2.626 110 HA ILE 16 HA ILE 16 10.321 6.947 4.623 111 HB ILE 16 HB ILE 16 9.918 4.358 3.064 112 1HG1 ILE 16 HG12 ILE 16 7.890 4.915 4.278 113 2HG1 ILE 16 HG11 ILE 16 8.685 3.551 5.050 114 1HG2 ILE 16 HG21 ILE 16 11.097 3.243 4.908 115 2HG2 ILE 16 HG22 ILE 16 11.412 4.813 5.644 116 3HG2 ILE 16 HG23 ILE 16 12.120 4.421 4.080 117 1HD1 ILE 16 HD11 ILE 16 8.743 6.411 6.003 118 2HD1 ILE 16 HD12 ILE 16 9.552 5.051 6.781 119 3HD1 ILE 16 HD13 ILE 16 7.792 5.097 6.695 120 H LEU 17 HN LEU 17 10.326 6.241 1.208 121 HA LEU 17 HA LEU 17 13.195 6.400 0.919 122 1HB LEU 17 HB2 LEU 17 10.976 6.454 -1.131 123 2HB LEU 17 HB1 LEU 17 12.680 6.475 -1.533 124 HG LEU 17 HG LEU 17 11.248 4.223 -0.124 125 1HD1 LEU 17 HD11 LEU 17 12.276 4.441 -2.948 126 2HD1 LEU 17 HD12 LEU 17 10.583 4.426 -2.456 127 3HD1 LEU 17 HD13 LEU 17 11.585 2.997 -2.209 128 1HD2 LEU 17 HD21 LEU 17 13.338 2.996 -0.467 129 2HD2 LEU 17 HD22 LEU 17 13.596 4.428 0.535 130 3HD2 LEU 17 HD23 LEU 17 14.073 4.443 -1.161 131 H GLY 18 HN GLY 18 10.461 8.407 0.081 132 1HA GLY 18 HA2 GLY 18 10.736 10.825 0.685 133 2HA GLY 18 HA1 GLY 18 12.297 10.707 -0.130 134 H ILE 19 HN ILE 19 9.204 9.315 -1.031 135 HA ILE 19 HA ILE 19 9.011 11.066 -3.330 136 HB ILE 19 HB ILE 19 8.114 8.828 -4.439 137 1HG1 ILE 19 HG12 ILE 19 10.290 7.841 -2.589 138 2HG1 ILE 19 HG11 ILE 19 8.603 7.361 -2.582 139 1HG2 ILE 19 HG21 ILE 19 10.271 8.593 -5.595 140 2HG2 ILE 19 HG22 ILE 19 11.000 9.667 -4.400 141 3HG2 ILE 19 HG23 ILE 19 9.700 10.257 -5.468 142 1HD1 ILE 19 HD11 ILE 19 10.601 6.799 -4.761 143 2HD1 ILE 19 HD12 ILE 19 8.908 6.306 -4.764 144 3HD1 ILE 19 HD13 ILE 19 10.013 5.649 -3.561 145 H ARG 20 HN ARG 20 6.848 10.691 -4.381 146 HA ARG 20 HA ARG 20 4.744 9.570 -2.756 147 1HB ARG 20 HB2 ARG 20 5.101 11.807 -1.694 148 2HB ARG 20 HB1 ARG 20 4.699 12.538 -3.249 149 1HG ARG 20 HG2 ARG 20 2.562 11.150 -3.115 150 2HG ARG 20 HG1 ARG 20 2.934 10.978 -1.403 151 1HD ARG 20 HD2 ARG 20 1.471 12.841 -1.588 152 2HD ARG 20 HD1 ARG 20 3.083 13.493 -1.287 153 HE ARG 20 HE ARG 20 2.919 13.477 -3.990 154 1HH1 ARG 20 HH11 ARG 20 0.852 14.894 -1.473 155 2HH1 ARG 20 HH12 ARG 20 0.221 16.097 -2.499 156 1HH2 ARG 20 HH21 ARG 20 2.087 15.053 -5.341 157 2HH2 ARG 20 HH22 ARG 20 0.987 16.245 -4.769 158 H ASP 21 HN ASP 21 5.711 11.685 -5.390 159 HA ASP 21 HA ASP 21 3.227 11.237 -6.799 160 1HB ASP 21 HB2 ASP 21 5.665 12.770 -7.710 161 2HB ASP 21 HB1 ASP 21 4.077 12.779 -8.466 162 H LEU 22 HN LEU 22 6.593 10.380 -7.024 163 HA LEU 22 HA LEU 22 7.682 8.739 -8.174 164 1HB LEU 22 HB2 LEU 22 4.875 7.631 -8.365 165 2HB LEU 22 HB1 LEU 22 6.235 6.824 -9.106 166 HG LEU 22 HG LEU 22 5.668 5.756 -7.040 167 1HD1 LEU 22 HD11 LEU 22 7.966 5.770 -7.670 168 2HD1 LEU 22 HD12 LEU 22 7.804 5.840 -5.916 169 3HD1 LEU 22 HD13 LEU 22 8.220 7.295 -6.823 170 1HD2 LEU 22 HD21 LEU 22 4.618 7.606 -5.846 171 2HD2 LEU 22 HD22 LEU 22 6.177 8.407 -5.678 172 3HD2 LEU 22 HD23 LEU 22 5.885 6.869 -4.867 173 H ALA 23 HN ALA 23 7.189 11.080 -9.487 174 HA ALA 23 HA ALA 23 6.121 10.422 -12.055 175 1HB ALA 23 HB1 ALA 23 7.271 13.014 -11.042 176 2HB ALA 23 HB2 ALA 23 5.568 12.557 -11.034 177 3HB ALA 23 HB3 ALA 23 6.412 12.794 -12.566 178 H GLY 24 HN GLY 24 8.969 9.939 -10.647 179 1HA GLY 24 HA2 GLY 24 10.419 9.950 -13.215 180 2HA GLY 24 HA1 GLY 24 11.172 10.673 -11.801 181 H ILE 25 HN ILE 25 10.256 8.768 -9.893 182 HA ILE 25 HA ILE 25 12.240 6.813 -9.997 183 HB ILE 25 HB ILE 25 9.615 6.752 -8.474 184 1HG1 ILE 25 HG12 ILE 25 10.978 8.719 -7.967 185 2HG1 ILE 25 HG11 ILE 25 10.857 7.638 -6.592 186 1HG2 ILE 25 HG21 ILE 25 10.699 5.191 -6.913 187 2HG2 ILE 25 HG22 ILE 25 12.114 5.133 -7.962 188 3HG2 ILE 25 HG23 ILE 25 10.567 4.518 -8.539 189 1HD1 ILE 25 HD11 ILE 25 13.092 6.805 -7.048 190 2HD1 ILE 25 HD12 ILE 25 13.074 8.552 -6.806 191 3HD1 ILE 25 HD13 ILE 25 13.217 7.888 -8.440 192 H ASN 26 HN ASN 26 12.250 4.725 -10.591 193 HA ASN 26 HA ASN 26 10.525 3.966 -12.753 194 1HB ASN 26 HB2 ASN 26 12.861 3.298 -12.809 195 2HB ASN 26 HB1 ASN 26 12.670 2.409 -11.298 196 1HD2 ASN 26 HD21 ASN 26 12.077 2.412 -14.702 197 2HD2 ASN 26 HD22 ASN 26 11.478 0.775 -14.766 198 H LEU 27 HN LEU 27 8.736 2.786 -12.697 199 HA LEU 27 HA LEU 27 7.907 1.797 -10.080 200 1HB LEU 27 HB2 LEU 27 6.291 2.552 -12.498 201 2HB LEU 27 HB1 LEU 27 5.621 1.920 -11.008 202 HG LEU 27 HG LEU 27 7.129 4.519 -11.284 203 1HD1 LEU 27 HD11 LEU 27 4.935 4.608 -12.325 204 2HD1 LEU 27 HD12 LEU 27 4.967 5.559 -10.838 205 3HD1 LEU 27 HD13 LEU 27 4.200 3.971 -10.854 206 1HD2 LEU 27 HD21 LEU 27 6.432 4.902 -8.968 207 2HD2 LEU 27 HD22 LEU 27 7.459 3.473 -9.103 208 3HD2 LEU 27 HD23 LEU 27 5.713 3.292 -8.923 209 H ASP 28 HN ASP 28 9.466 0.390 -12.460 210 HA ASP 28 HA ASP 28 7.730 -1.965 -12.292 211 1HB ASP 28 HB2 ASP 28 8.670 -2.918 -14.287 212 2HB ASP 28 HB1 ASP 28 8.322 -1.247 -14.667 213 H SER 29 HN SER 29 10.072 -0.645 -10.726 214 HA SER 29 HA SER 29 11.889 -2.821 -10.346 215 1HB SER 29 HB2 SER 29 11.433 -0.314 -8.722 216 2HB SER 29 HB1 SER 29 12.783 -1.432 -8.526 217 HG SER 29 HG SER 29 12.308 -0.331 -11.065 218 H SER 30 HN SER 30 11.713 -4.436 -8.931 219 HA SER 30 HA SER 30 9.431 -4.986 -7.416 220 1HB SER 30 HB2 SER 30 12.273 -5.952 -7.086 221 2HB SER 30 HB1 SER 30 10.868 -6.740 -6.386 222 HG SER 30 HG SER 30 10.091 -6.841 -8.641 223 H LEU 31 HN LEU 31 9.073 -4.793 -5.144 224 HA LEU 31 HA LEU 31 9.830 -2.335 -4.002 225 1HB LEU 31 HB2 LEU 31 7.744 -3.637 -3.503 226 2HB LEU 31 HB1 LEU 31 8.719 -4.739 -2.555 227 HG LEU 31 HG LEU 31 9.281 -2.916 -0.995 228 1HD1 LEU 31 HD11 LEU 31 8.155 -0.798 -1.198 229 2HD1 LEU 31 HD12 LEU 31 7.403 -1.379 -2.702 230 3HD1 LEU 31 HD13 LEU 31 9.163 -1.138 -2.625 231 1HD2 LEU 31 HD21 LEU 31 7.298 -4.269 -0.579 232 2HD2 LEU 31 HD22 LEU 31 6.335 -3.140 -1.531 233 3HD2 LEU 31 HD23 LEU 31 7.087 -2.608 -0.024 234 H ALA 32 HN ALA 32 11.133 -5.496 -3.779 235 HA ALA 32 HA ALA 32 12.653 -5.042 -1.446 236 1HB ALA 32 HB1 ALA 32 12.113 -7.306 -2.192 237 2HB ALA 32 HB2 ALA 32 13.858 -7.115 -1.990 238 3HB ALA 32 HB3 ALA 32 13.139 -7.090 -3.605 239 H ASP 33 HN ASP 33 13.186 -4.442 -4.804 240 HA ASP 33 HA ASP 33 15.973 -3.964 -4.706 241 1HB ASP 33 HB2 ASP 33 13.828 -3.298 -6.702 242 2HB ASP 33 HB1 ASP 33 15.458 -2.679 -6.906 243 H LEU 34 HN LEU 34 13.272 -2.227 -3.749 244 HA LEU 34 HA LEU 34 14.400 0.424 -3.986 245 1HB LEU 34 HB2 LEU 34 11.878 -0.710 -2.855 246 2HB LEU 34 HB1 LEU 34 12.354 0.920 -2.455 247 HG LEU 34 HG LEU 34 11.988 1.683 -4.679 248 1HD1 LEU 34 HD11 LEU 34 11.670 -1.197 -5.533 249 2HD1 LEU 34 HD12 LEU 34 13.061 -0.174 -5.898 250 3HD1 LEU 34 HD13 LEU 34 11.473 0.228 -6.554 251 1HD2 LEU 34 HD21 LEU 34 9.996 1.325 -3.415 252 2HD2 LEU 34 HD22 LEU 34 9.980 -0.363 -3.910 253 3HD2 LEU 34 HD23 LEU 34 9.690 0.907 -5.115 254 H GLY 35 HN GLY 35 14.350 -2.119 -1.695 255 1HA GLY 35 HA2 GLY 35 16.207 -1.667 -0.007 256 2HA GLY 35 HA1 GLY 35 15.234 -0.264 0.410 257 H LEU 36 HN LEU 36 13.071 -2.646 -0.367 258 HA LEU 36 HA LEU 36 12.398 -3.078 2.300 259 1HB LEU 36 HB2 LEU 36 10.537 -3.362 1.149 260 2HB LEU 36 HB1 LEU 36 11.281 -4.002 -0.272 261 HG LEU 36 HG LEU 36 11.381 -6.251 0.908 262 1HD1 LEU 36 HD11 LEU 36 10.002 -6.603 2.880 263 2HD1 LEU 36 HD12 LEU 36 9.701 -4.868 2.985 264 3HD1 LEU 36 HD13 LEU 36 11.334 -5.495 3.215 265 1HD2 LEU 36 HD21 LEU 36 8.684 -4.980 0.671 266 2HD2 LEU 36 HD22 LEU 36 9.012 -6.713 0.720 267 3HD2 LEU 36 HD23 LEU 36 9.608 -5.737 -0.630 268 H ASP 37 HN ASP 37 13.271 -4.093 3.690 269 HA ASP 37 HA ASP 37 14.196 -6.823 3.335 270 1HB ASP 37 HB2 ASP 37 16.268 -5.666 3.041 271 2HB ASP 37 HB1 ASP 37 15.918 -4.571 4.373 272 H SER 38 HN SER 38 13.700 -4.079 5.510 273 HA SER 38 HA SER 38 12.586 -5.987 7.393 274 1HB SER 38 HB2 SER 38 14.492 -3.755 8.120 275 2HB SER 38 HB1 SER 38 13.608 -4.741 9.287 276 HG SER 38 HG SER 38 15.489 -5.732 7.352 277 H LEU 39 HN LEU 39 12.932 -2.402 7.401 278 HA LEU 39 HA LEU 39 10.445 -2.108 8.691 279 1HB LEU 39 HB2 LEU 39 12.212 -0.407 8.788 280 2HB LEU 39 HB1 LEU 39 11.919 -0.020 7.101 281 HG LEU 39 HG LEU 39 9.551 0.526 7.746 282 1HD1 LEU 39 HD11 LEU 39 10.663 0.403 10.531 283 2HD1 LEU 39 HD12 LEU 39 9.413 -0.629 9.840 284 3HD1 LEU 39 HD13 LEU 39 9.105 1.092 10.078 285 1HD2 LEU 39 HD21 LEU 39 11.742 2.194 8.955 286 2HD2 LEU 39 HD22 LEU 39 10.089 2.722 8.594 287 3HD2 LEU 39 HD23 LEU 39 11.169 2.238 7.279 288 H MET 40 HN MET 40 11.308 -2.061 5.289 289 HA MET 40 HA MET 40 8.753 -1.050 4.439 290 1HB MET 40 HB2 MET 40 10.942 -2.351 2.831 291 2HB MET 40 HB1 MET 40 9.519 -1.544 2.179 292 1HG MET 40 HG2 MET 40 10.216 0.548 3.179 293 2HG MET 40 HG1 MET 40 11.632 -0.242 3.865 294 1HE MET 40 HE1 MET 40 13.265 1.488 2.854 295 2HE MET 40 HE2 MET 40 11.884 2.379 2.218 296 3HE MET 40 HE3 MET 40 13.247 1.996 1.165 297 H GLY 41 HN GLY 41 9.470 -3.862 5.780 298 1HA GLY 41 HA2 GLY 41 7.277 -5.202 4.349 299 2HA GLY 41 HA1 GLY 41 8.605 -6.063 5.129 300 H VAL 42 HN VAL 42 8.742 -4.379 7.433 301 HA VAL 42 HA VAL 42 6.693 -5.645 8.955 302 HB VAL 42 HB VAL 42 8.728 -3.595 9.906 303 1HG1 VAL 42 HG11 VAL 42 6.797 -3.750 11.389 304 2HG1 VAL 42 HG12 VAL 42 8.230 -4.441 12.150 305 3HG1 VAL 42 HG13 VAL 42 6.990 -5.500 11.476 306 1HG2 VAL 42 HG21 VAL 42 8.786 -6.607 10.074 307 2HG2 VAL 42 HG22 VAL 42 9.959 -5.512 10.807 308 3HG2 VAL 42 HG23 VAL 42 9.813 -5.604 9.050 309 H GLU 43 HN GLU 43 7.344 -2.211 8.058 310 HA GLU 43 HA GLU 43 5.158 -1.386 9.639 311 1HB GLU 43 HB2 GLU 43 6.984 0.208 8.962 312 2HB GLU 43 HB1 GLU 43 6.297 0.218 7.336 313 1HG GLU 43 HG2 GLU 43 4.187 1.059 8.189 314 2HG GLU 43 HG1 GLU 43 4.799 0.984 9.831 315 H VAL 44 HN VAL 44 5.503 -2.395 6.356 316 HA VAL 44 HA VAL 44 2.956 -1.667 5.383 317 HB VAL 44 HB VAL 44 4.695 -4.052 4.613 318 1HG1 VAL 44 HG11 VAL 44 3.393 -4.149 2.538 319 2HG1 VAL 44 HG12 VAL 44 2.337 -2.868 3.135 320 3HG1 VAL 44 HG13 VAL 44 2.362 -4.434 3.942 321 1HG2 VAL 44 HG21 VAL 44 5.343 -2.666 2.713 322 2HG2 VAL 44 HG22 VAL 44 5.749 -1.888 4.244 323 3HG2 VAL 44 HG23 VAL 44 4.341 -1.349 3.328 324 H ARG 45 HN ARG 45 4.085 -4.572 7.020 325 HA ARG 45 HA ARG 45 1.550 -5.773 7.134 326 1HB ARG 45 HB2 ARG 45 4.087 -6.231 8.663 327 2HB ARG 45 HB1 ARG 45 2.637 -7.156 9.020 328 1HG ARG 45 HG2 ARG 45 2.570 -7.910 6.678 329 2HG ARG 45 HG1 ARG 45 4.055 -7.009 6.366 330 1HD ARG 45 HD2 ARG 45 3.792 -9.193 8.414 331 2HD ARG 45 HD1 ARG 45 4.361 -9.451 6.767 332 HE ARG 45 HE ARG 45 6.088 -7.703 7.419 333 1HH1 ARG 45 HH11 ARG 45 4.727 -10.016 9.740 334 2HH1 ARG 45 HH12 ARG 45 6.173 -10.229 10.610 335 1HH2 ARG 45 HH21 ARG 45 8.138 -8.104 8.561 336 2HH2 ARG 45 HH22 ARG 45 8.165 -9.132 9.911 337 H GLN 46 HN GLN 46 3.121 -3.441 9.215 338 HA GLN 46 HA GLN 46 1.060 -3.638 11.216 339 1HB GLN 46 HB2 GLN 46 3.161 -1.480 10.883 340 2HB GLN 46 HB1 GLN 46 2.131 -1.701 12.290 341 1HG GLN 46 HG2 GLN 46 3.170 -3.953 12.587 342 2HG GLN 46 HG1 GLN 46 4.292 -3.534 11.298 343 1HE2 GLN 46 HE21 GLN 46 4.379 -0.675 12.276 344 2HE2 GLN 46 HE22 GLN 46 5.386 -0.745 13.660 345 H ILE 47 HN ILE 47 0.974 -2.496 8.223 346 HA ILE 47 HA ILE 47 -1.074 -0.504 8.885 347 HB ILE 47 HB ILE 47 0.110 -1.221 6.160 348 1HG1 ILE 47 HG12 ILE 47 0.434 1.309 7.789 349 2HG1 ILE 47 HG11 ILE 47 1.646 0.037 7.657 350 1HG2 ILE 47 HG21 ILE 47 -1.882 0.939 6.878 351 2HG2 ILE 47 HG22 ILE 47 -2.222 -0.524 5.957 352 3HG2 ILE 47 HG23 ILE 47 -1.147 0.704 5.292 353 1HD1 ILE 47 HD11 ILE 47 2.179 1.915 6.204 354 2HD1 ILE 47 HD12 ILE 47 0.616 1.762 5.403 355 3HD1 ILE 47 HD13 ILE 47 1.814 0.478 5.248 356 H LEU 48 HN LEU 48 -0.560 -3.171 6.621 357 HA LEU 48 HA LEU 48 -3.280 -3.531 6.125 358 1HB LEU 48 HB2 LEU 48 -0.938 -5.328 5.576 359 2HB LEU 48 HB1 LEU 48 -2.570 -5.778 5.152 360 HG LEU 48 HG LEU 48 -1.560 -4.972 3.194 361 1HD1 LEU 48 HD11 LEU 48 -2.895 -3.043 2.587 362 2HD1 LEU 48 HD12 LEU 48 -3.286 -2.794 4.289 363 3HD1 LEU 48 HD13 LEU 48 -3.825 -4.259 3.465 364 1HD2 LEU 48 HD21 LEU 48 0.321 -3.768 4.135 365 2HD2 LEU 48 HD22 LEU 48 -0.760 -2.489 4.692 366 3HD2 LEU 48 HD23 LEU 48 -0.534 -2.764 2.965 367 H GLU 49 HN GLU 49 -1.170 -5.397 8.345 368 HA GLU 49 HA GLU 49 -3.350 -7.132 9.029 369 1HB GLU 49 HB2 GLU 49 -1.001 -7.920 9.110 370 2HB GLU 49 HB1 GLU 49 -0.683 -6.791 10.421 371 1HG GLU 49 HG2 GLU 49 -2.464 -7.996 11.737 372 2HG GLU 49 HG1 GLU 49 -2.471 -9.210 10.460 373 H ARG 50 HN ARG 50 -2.025 -4.200 10.238 374 HA ARG 50 HA ARG 50 -3.184 -4.445 12.846 375 1HB ARG 50 HB2 ARG 50 -1.153 -3.066 12.192 376 2HB ARG 50 HB1 ARG 50 -2.291 -1.895 11.548 377 1HG ARG 50 HG2 ARG 50 -3.331 -1.770 13.806 378 2HG ARG 50 HG1 ARG 50 -2.021 -2.792 14.400 379 1HD ARG 50 HD2 ARG 50 -1.344 -0.584 14.853 380 2HD ARG 50 HD1 ARG 50 -0.434 -1.074 13.425 381 HE ARG 50 HE ARG 50 -2.855 0.193 12.698 382 1HH1 ARG 50 HH11 ARG 50 0.488 0.915 13.706 383 2HH1 ARG 50 HH12 ARG 50 0.386 2.552 13.249 384 1HH2 ARG 50 HH21 ARG 50 -2.954 2.392 12.092 385 2HH2 ARG 50 HH22 ARG 50 -1.637 3.448 12.394 386 H GLU 51 HN GLU 51 -3.925 -2.469 9.984 387 HA GLU 51 HA GLU 51 -6.244 -1.355 11.269 388 1HB GLU 51 HB2 GLU 51 -5.400 -1.046 8.398 389 2HB GLU 51 HB1 GLU 51 -6.423 0.030 9.327 390 1HG GLU 51 HG2 GLU 51 -3.476 -0.436 9.798 391 2HG GLU 51 HG1 GLU 51 -4.167 0.924 8.930 392 H HIS 52 HN HIS 52 -5.584 -3.912 8.909 393 HA HIS 52 HA HIS 52 -8.479 -4.416 8.786 394 1HB HIS 52 HB2 HIS 52 -6.666 -4.035 6.457 395 2HB HIS 52 HB1 HIS 52 -8.005 -5.161 6.324 396 HD1 HIS 52 HD1 HIS 52 -10.179 -4.231 5.730 397 HD2 HIS 52 HD2 HIS 52 -7.556 -1.314 7.054 398 HE1 HIS 52 HE1 HIS 52 -11.311 -2.038 5.253 399 HE2 HIS 52 HE2 HIS 52 -9.891 -0.400 6.494 400 H ASP 53 HN ASP 53 -5.693 -5.795 9.698 401 HA ASP 53 HA ASP 53 -4.978 -7.867 10.154 402 1HB ASP 53 HB2 ASP 53 -7.851 -8.593 9.638 403 2HB ASP 53 HB1 ASP 53 -6.650 -9.782 10.127 404 H LEU 54 HN LEU 54 -4.922 -6.915 7.335 405 HA LEU 54 HA LEU 54 -4.880 -9.455 5.942 406 1HB LEU 54 HB2 LEU 54 -4.410 -6.644 5.043 407 2HB LEU 54 HB1 LEU 54 -3.727 -7.947 4.103 408 HG LEU 54 HG LEU 54 -6.028 -8.869 3.820 409 1HD1 LEU 54 HD11 LEU 54 -7.108 -7.842 5.744 410 2HD1 LEU 54 HD12 LEU 54 -7.941 -7.445 4.240 411 3HD1 LEU 54 HD13 LEU 54 -6.882 -6.256 5.004 412 1HD2 LEU 54 HD21 LEU 54 -6.702 -7.223 2.146 413 2HD2 LEU 54 HD22 LEU 54 -4.973 -7.566 2.087 414 3HD2 LEU 54 HD23 LEU 54 -5.552 -6.072 2.827 415 H VAL 55 HN VAL 55 -3.364 -10.757 6.559 416 HA VAL 55 HA VAL 55 -0.686 -9.835 7.114 417 HB VAL 55 HB VAL 55 -1.721 -12.673 6.792 418 1HG1 VAL 55 HG11 VAL 55 0.288 -13.323 8.045 419 2HG1 VAL 55 HG12 VAL 55 0.822 -11.640 8.059 420 3HG1 VAL 55 HG13 VAL 55 0.697 -12.513 6.533 421 1HG2 VAL 55 HG21 VAL 55 -2.890 -11.543 8.603 422 2HG2 VAL 55 HG22 VAL 55 -1.352 -11.037 9.301 423 3HG2 VAL 55 HG23 VAL 55 -1.774 -12.749 9.251 424 H LEU 56 HN LEU 56 0.040 -8.907 5.323 425 HA LEU 56 HA LEU 56 0.148 -10.532 2.912 426 1HB LEU 56 HB2 LEU 56 0.958 -7.649 3.317 427 2HB LEU 56 HB1 LEU 56 1.028 -8.517 1.802 428 HG LEU 56 HG LEU 56 -1.470 -7.766 3.315 429 1HD1 LEU 56 HD11 LEU 56 -0.368 -6.843 0.667 430 2HD1 LEU 56 HD12 LEU 56 -0.420 -5.907 2.162 431 3HD1 LEU 56 HD13 LEU 56 -1.920 -6.376 1.361 432 1HD2 LEU 56 HD21 LEU 56 -1.165 -9.267 0.715 433 2HD2 LEU 56 HD22 LEU 56 -2.690 -8.711 1.413 434 3HD2 LEU 56 HD23 LEU 56 -1.738 -9.943 2.240 435 HA PRO 57 HA PRO 57 4.142 -11.728 4.483 436 1HB PRO 57 HB2 PRO 57 4.081 -13.352 2.007 437 2HB PRO 57 HB1 PRO 57 4.289 -13.874 3.684 438 1HG PRO 57 HG2 PRO 57 2.004 -14.378 2.439 439 2HG PRO 57 HG1 PRO 57 1.994 -13.796 4.121 440 1HD PRO 57 HD2 PRO 57 1.576 -12.228 1.611 441 2HD PRO 57 HD1 PRO 57 0.587 -12.269 3.093 442 H ILE 58 HN ILE 58 6.292 -11.422 3.780 443 HA ILE 58 HA ILE 58 6.650 -9.231 2.058 444 HB ILE 58 HB ILE 58 8.599 -11.047 3.513 445 1HG1 ILE 58 HG12 ILE 58 9.236 -8.910 4.642 446 2HG1 ILE 58 HG11 ILE 58 7.955 -8.120 3.731 447 1HG2 ILE 58 HG21 ILE 58 10.477 -9.662 2.823 448 2HG2 ILE 58 HG22 ILE 58 9.421 -8.793 1.709 449 3HG2 ILE 58 HG23 ILE 58 9.747 -10.508 1.458 450 1HD1 ILE 58 HD11 ILE 58 7.606 -10.323 5.763 451 2HD1 ILE 58 HD12 ILE 58 6.309 -9.535 4.867 452 3HD1 ILE 58 HD13 ILE 58 7.274 -8.609 6.017 453 H ARG 59 HN ARG 59 6.724 -12.588 1.577 454 HA ARG 59 HA ARG 59 7.979 -12.604 -0.951 455 1HB ARG 59 HB2 ARG 59 6.714 -14.853 -1.321 456 2HB ARG 59 HB1 ARG 59 7.954 -14.762 -0.088 457 1HG ARG 59 HG2 ARG 59 5.103 -14.319 0.681 458 2HG ARG 59 HG1 ARG 59 5.671 -15.961 0.364 459 1HD ARG 59 HD2 ARG 59 6.978 -14.055 2.337 460 2HD ARG 59 HD1 ARG 59 5.796 -15.288 2.770 461 HE ARG 59 HE ARG 59 7.436 -16.886 1.756 462 1HH1 ARG 59 HH11 ARG 59 8.551 -13.894 3.371 463 2HH1 ARG 59 HH12 ARG 59 10.074 -14.540 3.772 464 1HH2 ARG 59 HH21 ARG 59 9.515 -17.765 2.437 465 2HH2 ARG 59 HH22 ARG 59 10.583 -16.805 3.338 466 H GLU 60 HN GLU 60 4.972 -11.421 -0.101 467 HA GLU 60 HA GLU 60 4.016 -11.378 -2.904 468 1HB GLU 60 HB2 GLU 60 2.705 -10.360 -0.360 469 2HB GLU 60 HB1 GLU 60 1.957 -10.405 -1.940 470 1HG GLU 60 HG2 GLU 60 2.744 -12.766 -0.256 471 2HG GLU 60 HG1 GLU 60 1.111 -12.150 -0.502 472 H VAL 61 HN VAL 61 4.703 -9.407 -0.110 473 HA VAL 61 HA VAL 61 4.252 -6.909 -1.161 474 HB VAL 61 HB VAL 61 6.104 -7.701 1.115 475 1HG1 VAL 61 HG11 VAL 61 4.867 -5.020 0.510 476 2HG1 VAL 61 HG12 VAL 61 6.581 -5.421 0.383 477 3HG1 VAL 61 HG13 VAL 61 5.789 -5.426 1.956 478 1HG2 VAL 61 HG21 VAL 61 3.220 -6.833 1.122 479 2HG2 VAL 61 HG22 VAL 61 4.204 -7.147 2.551 480 3HG2 VAL 61 HG23 VAL 61 3.827 -8.458 1.432 481 H ARG 62 HN ARG 62 7.181 -8.837 -1.318 482 HA ARG 62 HA ARG 62 8.930 -6.841 -2.093 483 1HB ARG 62 HB2 ARG 62 8.972 -9.789 -2.456 484 2HB ARG 62 HB1 ARG 62 10.211 -8.791 -3.206 485 1HG ARG 62 HG2 ARG 62 10.796 -7.866 -1.073 486 2HG ARG 62 HG1 ARG 62 9.514 -8.782 -0.304 487 1HD ARG 62 HD2 ARG 62 11.673 -9.905 0.022 488 2HD ARG 62 HD1 ARG 62 10.540 -10.894 -0.886 489 HE ARG 62 HE ARG 62 11.940 -9.743 -2.849 490 1HH1 ARG 62 HH11 ARG 62 12.964 -11.364 0.108 491 2HH1 ARG 62 HH12 ARG 62 14.422 -11.974 -0.521 492 1HH2 ARG 62 HH21 ARG 62 13.953 -10.556 -3.772 493 2HH2 ARG 62 HH22 ARG 62 15.005 -11.460 -2.795 494 H GLN 63 HN GLN 63 6.409 -8.190 -3.994 495 HA GLN 63 HA GLN 63 7.825 -7.338 -6.399 496 1HB GLN 63 HB2 GLN 63 5.372 -9.096 -6.197 497 2HB GLN 63 HB1 GLN 63 6.039 -8.518 -7.716 498 1HG GLN 63 HG2 GLN 63 6.910 -10.661 -7.541 499 2HG GLN 63 HG1 GLN 63 8.207 -9.640 -6.931 500 1HE2 GLN 63 HE21 GLN 63 5.310 -10.500 -5.195 501 2HE2 GLN 63 HE22 GLN 63 6.095 -11.427 -3.976 502 H LEU 64 HN LEU 64 5.950 -6.006 -4.234 503 HA LEU 64 HA LEU 64 4.019 -4.722 -5.951 504 1HB LEU 64 HB2 LEU 64 4.797 -4.008 -3.119 505 2HB LEU 64 HB1 LEU 64 3.352 -3.489 -3.964 506 HG LEU 64 HG LEU 64 4.022 -6.275 -3.095 507 1HD1 LEU 64 HD11 LEU 64 1.916 -4.364 -2.106 508 2HD1 LEU 64 HD12 LEU 64 3.367 -4.877 -1.245 509 3HD1 LEU 64 HD13 LEU 64 2.092 -6.043 -1.595 510 1HD2 LEU 64 HD21 LEU 64 1.757 -6.888 -3.844 511 2HD2 LEU 64 HD22 LEU 64 2.779 -6.346 -5.177 512 3HD2 LEU 64 HD23 LEU 64 1.554 -5.267 -4.508 513 H THR 65 HN THR 65 4.617 -3.184 -7.314 514 HA THR 65 HA THR 65 7.244 -2.113 -7.234 515 HB THR 65 HB THR 65 6.481 -1.233 -9.465 516 HG1 THR 65 HG1 THR 65 4.411 -2.432 -10.064 517 1HG2 THR 65 HG21 THR 65 6.026 -4.122 -8.826 518 2HG2 THR 65 HG22 THR 65 7.612 -3.401 -9.084 519 3HG2 THR 65 HG23 THR 65 6.443 -3.492 -10.427 520 H LEU 66 HN LEU 66 6.088 -1.048 -5.111 521 HA LEU 66 HA LEU 66 5.818 0.830 -3.924 522 1HB LEU 66 HB2 LEU 66 7.832 1.491 -5.385 523 2HB LEU 66 HB1 LEU 66 6.705 2.425 -6.338 524 HG LEU 66 HG LEU 66 7.979 3.828 -4.779 525 1HD1 LEU 66 HD11 LEU 66 5.086 3.652 -4.035 526 2HD1 LEU 66 HD12 LEU 66 5.770 4.559 -5.385 527 3HD1 LEU 66 HD13 LEU 66 6.153 5.024 -3.721 528 1HD2 LEU 66 HD21 LEU 66 6.652 2.221 -2.605 529 2HD2 LEU 66 HD22 LEU 66 7.641 3.662 -2.363 530 3HD2 LEU 66 HD23 LEU 66 8.365 2.193 -3.018 531 H ARG 67 HN ARG 67 4.700 1.837 -7.179 532 HA ARG 67 HA ARG 67 2.505 3.211 -5.939 533 1HB ARG 67 HB2 ARG 67 3.323 2.847 -8.783 534 2HB ARG 67 HB1 ARG 67 1.685 3.361 -8.426 535 1HG ARG 67 HG2 ARG 67 4.206 4.789 -7.599 536 2HG ARG 67 HG1 ARG 67 3.123 5.258 -8.911 537 1HD ARG 67 HD2 ARG 67 1.295 5.266 -7.065 538 2HD ARG 67 HD1 ARG 67 2.661 5.351 -5.954 539 HE ARG 67 HE ARG 67 3.117 7.323 -7.786 540 1HH1 ARG 67 HH11 ARG 67 0.623 6.678 -5.354 541 2HH1 ARG 67 HH12 ARG 67 0.003 8.262 -5.383 542 1HH2 ARG 67 HH21 ARG 67 2.208 9.436 -7.889 543 2HH2 ARG 67 HH22 ARG 67 0.872 9.852 -6.914 544 H LYS 68 HN LYS 68 3.024 0.099 -7.163 545 HA LYS 68 HA LYS 68 0.372 -0.720 -7.577 546 1HB LYS 68 HB2 LYS 68 2.404 -2.051 -8.175 547 2HB LYS 68 HB1 LYS 68 2.616 -2.421 -6.470 548 1HG LYS 68 HG2 LYS 68 0.469 -3.554 -6.440 549 2HG LYS 68 HG1 LYS 68 0.230 -3.168 -8.143 550 1HD LYS 68 HD2 LYS 68 2.319 -4.423 -8.639 551 2HD LYS 68 HD1 LYS 68 2.347 -4.938 -6.946 552 1HE LYS 68 HE2 LYS 68 0.164 -5.945 -7.207 553 2HE LYS 68 HE1 LYS 68 0.098 -5.408 -8.886 554 1HZ LYS 68 HZ1 LYS 68 1.876 -7.463 -7.696 555 2HZ LYS 68 HZ2 LYS 68 2.199 -6.758 -9.185 556 3HZ LYS 68 HZ3 LYS 68 0.751 -7.631 -8.953 557 H LEU 69 HN LEU 69 2.185 -0.191 -4.725 558 HA LEU 69 HA LEU 69 0.676 -1.475 -2.741 559 1HB LEU 69 HB2 LEU 69 2.280 1.055 -2.637 560 2HB LEU 69 HB1 LEU 69 1.352 0.553 -1.247 561 HG LEU 69 HG LEU 69 3.630 -0.061 -0.936 562 1HD1 LEU 69 HD11 LEU 69 2.037 -1.584 -0.034 563 2HD1 LEU 69 HD12 LEU 69 3.469 -2.457 -0.578 564 3HD1 LEU 69 HD13 LEU 69 1.994 -2.493 -1.545 565 1HD2 LEU 69 HD21 LEU 69 4.388 -0.137 -3.239 566 2HD2 LEU 69 HD22 LEU 69 3.453 -1.607 -3.511 567 3HD2 LEU 69 HD23 LEU 69 4.819 -1.623 -2.391 568 H GLN 70 HN GLN 70 -0.256 1.217 -4.625 569 HA GLN 70 HA GLN 70 -2.214 2.393 -2.915 570 1HB GLN 70 HB2 GLN 70 -2.111 2.329 -5.921 571 2HB GLN 70 HB1 GLN 70 -3.141 3.369 -4.928 572 1HG GLN 70 HG2 GLN 70 -1.243 4.542 -4.163 573 2HG GLN 70 HG1 GLN 70 -0.114 3.535 -5.079 574 1HE2 GLN 70 HE21 GLN 70 -0.321 3.582 -7.379 575 2HE2 GLN 70 HE22 GLN 70 -0.896 5.007 -8.161 576 H GLU 71 HN GLU 71 -2.201 -0.235 -5.258 577 HA GLU 71 HA GLU 71 -5.083 -0.619 -5.044 578 1HB GLU 71 HB2 GLU 71 -3.735 -0.790 -7.225 579 2HB GLU 71 HB1 GLU 71 -3.082 -2.288 -6.583 580 1HG GLU 71 HG2 GLU 71 -4.876 -2.774 -8.101 581 2HG GLU 71 HG1 GLU 71 -5.370 -3.194 -6.462 582 H MET 72 HN MET 72 -2.542 -1.270 -3.234 583 HA MET 72 HA MET 72 -3.554 -3.865 -2.247 584 1HB MET 72 HB2 MET 72 -0.716 -2.792 -2.169 585 2HB MET 72 HB1 MET 72 -1.248 -4.298 -1.440 586 1HG MET 72 HG2 MET 72 -1.271 -3.669 -4.386 587 2HG MET 72 HG1 MET 72 -0.056 -4.631 -3.551 588 1HE MET 72 HE1 MET 72 -2.157 -7.755 -2.413 589 2HE MET 72 HE2 MET 72 -1.870 -6.282 -1.485 590 3HE MET 72 HE3 MET 72 -0.564 -6.999 -2.427 591 H SER 73 HN SER 73 -4.279 -1.067 -1.669 592 HA SER 73 HA SER 73 -2.919 -0.292 0.667 593 1HB SER 73 HB2 SER 73 -4.625 1.571 0.613 594 2HB SER 73 HB1 SER 73 -3.570 1.411 -0.792 595 HG SER 73 HG SER 73 -5.241 1.143 -1.949 596 H SER 74 HN SER 74 -5.722 -2.102 -0.143 597 HA SER 74 HA SER 74 -7.242 -3.295 0.976 598 1HB SER 74 HB2 SER 74 -5.559 -3.631 2.818 599 2HB SER 74 HB1 SER 74 -6.124 -2.145 3.568 600 HG SER 74 HG SER 74 -7.793 -4.375 3.035 601 H LYS 75 HN LYS 75 -7.060 -0.198 0.570 602 HA LYS 75 HA LYS 75 -9.621 0.538 1.804 603 1HB LYS 75 HB2 LYS 75 -7.577 2.172 0.287 604 2HB LYS 75 HB1 LYS 75 -9.050 2.802 1.000 605 1HG LYS 75 HG2 LYS 75 -8.233 2.374 3.207 606 2HG LYS 75 HG1 LYS 75 -6.811 1.539 2.559 607 1HD LYS 75 HD2 LYS 75 -6.040 3.581 1.523 608 2HD LYS 75 HD1 LYS 75 -7.497 4.429 2.029 609 1HE LYS 75 HE2 LYS 75 -5.495 3.206 3.912 610 2HE LYS 75 HE1 LYS 75 -5.489 4.896 3.421 611 1HZ LYS 75 HZ1 LYS 75 -6.601 4.672 5.520 612 2HZ LYS 75 HZ2 LYS 75 -7.702 3.540 4.932 613 3HZ LYS 75 HZ3 LYS 75 -7.734 5.113 4.382 614 H ALA 76 HN ALA 76 -11.408 0.846 0.456 615 HA ALA 76 HA ALA 76 -11.181 -0.041 -2.244 616 1HB ALA 76 HB1 ALA 76 -13.572 0.506 -2.389 617 2HB ALA 76 HB2 ALA 76 -13.489 1.281 -0.804 618 3HB ALA 76 HB3 ALA 76 -13.225 -0.457 -0.951 619 H GLY 77 HN GLY 77 -10.675 1.157 -3.918 620 1HA GLY 77 HA2 GLY 77 -10.187 3.975 -3.607 621 2HA GLY 77 HA1 GLY 77 -9.892 3.006 -5.042 622 H SER 78 HN SER 78 -12.846 3.519 -3.219 623 HA SER 78 HA SER 78 -14.306 4.163 -5.609 624 1HB SER 78 HB2 SER 78 -15.179 4.068 -2.713 625 2HB SER 78 HB1 SER 78 -16.235 4.096 -4.128 626 HG SER 78 HG SER 78 -16.109 2.053 -4.023 627 H ASP 79 HN ASP 79 -12.723 5.945 -5.743 628 HA ASP 79 HA ASP 79 -13.188 8.259 -4.062 629 1HB ASP 79 HB2 ASP 79 -10.917 7.635 -4.882 630 2HB ASP 79 HB1 ASP 79 -11.460 7.971 -6.523 631 H THR 80 HN THR 80 -13.049 7.728 -7.504 632 HA THR 80 HA THR 80 -13.997 8.685 -9.255 633 HB THR 80 HB THR 80 -16.537 7.948 -7.796 634 HG1 THR 80 HG1 THR 80 -15.990 5.907 -8.128 635 1HG2 THR 80 HG21 THR 80 -17.312 7.377 -10.070 636 2HG2 THR 80 HG22 THR 80 -15.760 7.898 -10.731 637 3HG2 THR 80 HG23 THR 80 -16.841 9.077 -9.984 638 H GLU 81 HN GLU 81 -13.234 10.832 -8.772 639 HA GLU 81 HA GLU 81 -15.142 12.720 -7.742 640 1HB GLU 81 HB2 GLU 81 -13.507 14.454 -8.345 641 2HB GLU 81 HB1 GLU 81 -12.760 13.169 -7.411 642 1HG GLU 81 HG2 GLU 81 -11.711 12.269 -9.352 643 2HG GLU 81 HG1 GLU 81 -12.618 13.351 -10.406 644 H LEU 82 HN LEU 82 -14.413 11.300 -10.779 645 HA LEU 82 HA LEU 82 -15.557 13.349 -12.380 646 1HB LEU 82 HB2 LEU 82 -14.804 10.493 -12.933 647 2HB LEU 82 HB1 LEU 82 -15.750 11.397 -14.092 648 HG LEU 82 HG LEU 82 -13.880 13.028 -14.287 649 1HD1 LEU 82 HD11 LEU 82 -11.675 12.445 -13.452 650 2HD1 LEU 82 HD12 LEU 82 -12.367 11.086 -12.563 651 3HD1 LEU 82 HD13 LEU 82 -12.813 12.738 -12.137 652 1HD2 LEU 82 HD21 LEU 82 -14.116 11.224 -15.877 653 2HD2 LEU 82 HD22 LEU 82 -13.171 10.158 -14.837 654 3HD2 LEU 82 HD23 LEU 82 -12.413 11.566 -15.576 655 H ALA 83 HN ALA 83 -17.513 13.900 -12.105 656 HA ALA 83 HA ALA 83 -19.617 11.865 -11.808 657 1HB ALA 83 HB1 ALA 83 -21.039 13.700 -11.007 658 2HB ALA 83 HB2 ALA 83 -19.717 14.839 -11.259 659 3HB ALA 83 HB3 ALA 83 -19.569 13.573 -10.040 660 H ALA 84 HN ALA 84 -18.250 14.269 -13.825 661 HA ALA 84 HA ALA 84 -20.224 13.656 -15.881 662 1HB ALA 84 HB1 ALA 84 -20.211 16.003 -16.604 663 2HB ALA 84 HB2 ALA 84 -19.177 16.420 -15.237 664 3HB ALA 84 HB3 ALA 84 -20.824 15.848 -14.956 665 HA PRO 85 HA PRO 85 -16.337 12.830 -17.852 666 1HB PRO 85 HB2 PRO 85 -17.844 12.450 -20.325 667 2HB PRO 85 HB1 PRO 85 -16.976 11.254 -19.359 668 1HG PRO 85 HG2 PRO 85 -19.682 11.310 -19.541 669 2HG PRO 85 HG1 PRO 85 -18.826 10.739 -18.095 670 1HD PRO 85 HD2 PRO 85 -20.127 13.384 -18.612 671 2HD PRO 85 HD1 PRO 85 -20.136 12.392 -17.137 672 H LYS 86 HN LYS 86 -14.905 14.123 -18.807 673 HA LYS 86 HA LYS 86 -15.920 16.415 -20.292 674 1HB LYS 86 HB2 LYS 86 -13.205 15.952 -19.052 675 2HB LYS 86 HB1 LYS 86 -13.648 17.380 -19.983 676 1HG LYS 86 HG2 LYS 86 -15.446 17.823 -18.336 677 2HG LYS 86 HG1 LYS 86 -14.837 16.474 -17.379 678 1HD LYS 86 HD2 LYS 86 -12.700 17.585 -17.126 679 2HD LYS 86 HD1 LYS 86 -13.247 18.913 -18.154 680 1HE LYS 86 HE2 LYS 86 -15.057 19.355 -16.524 681 2HE LYS 86 HE1 LYS 86 -14.375 18.113 -15.479 682 1HZ LYS 86 HZ1 LYS 86 -13.720 20.341 -14.864 683 2HZ LYS 86 HZ2 LYS 86 -12.962 20.567 -16.365 684 3HZ LYS 86 HZ3 LYS 86 -12.367 19.419 -15.259 685 H SER 87 HN SER 87 -14.747 13.377 -20.879 686 HA SER 87 HA SER 87 -13.179 13.656 -23.159 687 1HB SER 87 HB2 SER 87 -15.335 11.585 -22.693 688 2HB SER 87 HB1 SER 87 -13.787 11.380 -23.516 689 HG SER 87 HG SER 87 -13.176 10.675 -21.651 690 H LYS 88 HN LYS 88 -16.625 13.443 -22.596 691 HA LYS 88 HA LYS 88 -17.366 15.296 -24.566 692 1HB LYS 88 HB2 LYS 88 -17.244 13.284 -26.013 693 2HB LYS 88 HB1 LYS 88 -18.174 12.370 -24.833 694 1HG LYS 88 HG2 LYS 88 -20.029 13.999 -25.168 695 2HG LYS 88 HG1 LYS 88 -19.100 14.683 -26.497 696 1HD LYS 88 HD2 LYS 88 -19.199 12.605 -27.687 697 2HD LYS 88 HD1 LYS 88 -19.977 11.814 -26.306 698 1HE LYS 88 HE2 LYS 88 -21.103 14.150 -27.830 699 2HE LYS 88 HE1 LYS 88 -21.579 12.467 -28.058 700 1HZ LYS 88 HZ1 LYS 88 -22.472 12.392 -25.867 701 2HZ LYS 88 HZ2 LYS 88 -23.072 13.782 -26.613 702 3HZ LYS 88 HZ3 LYS 88 -21.895 13.919 -25.446 703 H ASN 89 HN ASN 89 -19.567 15.892 -24.000 704 HA ASN 89 HA ASN 89 -20.640 14.406 -21.736 705 1HB ASN 89 HB2 ASN 89 -19.445 16.557 -21.052 706 2HB ASN 89 HB1 ASN 89 -20.697 17.415 -21.941 707 1HD2 ASN 89 HD21 ASN 89 -19.913 15.612 -19.171 708 2HD2 ASN 89 HD22 ASN 89 -21.376 15.907 -18.285 Start of MODEL 4 1 1H GLY 1 HT1 GLY 1 -9.385 14.616 10.620 2 2H GLY 1 HT2 GLY 1 -9.081 14.451 8.946 3 3H GLY 1 HT3 GLY 1 -7.977 15.235 9.942 4 1HA GLY 1 HA1 GLY 1 -8.705 12.375 10.101 5 2HA GLY 1 HA2 GLY 1 -7.251 13.011 9.344 6 H ASP 2 HN ASP 2 -8.940 12.452 12.321 7 HA ASP 2 HA ASP 2 -6.523 13.184 13.826 8 1HB ASP 2 HB2 ASP 2 -8.548 14.340 14.576 9 2HB ASP 2 HB1 ASP 2 -9.373 12.800 14.777 10 H GLY 3 HN GLY 3 -9.014 10.732 13.416 11 1HA GLY 3 HA2 GLY 3 -7.580 8.846 15.091 12 2HA GLY 3 HA1 GLY 3 -9.116 8.567 14.277 13 H GLU 4 HN GLU 4 -5.832 9.369 13.354 14 HA GLU 4 HA GLU 4 -6.025 7.804 10.921 15 1HB GLU 4 HB2 GLU 4 -3.692 9.297 12.116 16 2HB GLU 4 HB1 GLU 4 -3.777 8.639 10.492 17 1HG GLU 4 HG2 GLU 4 -5.556 10.807 11.564 18 2HG GLU 4 HG1 GLU 4 -4.106 11.075 10.602 19 H ALA 5 HN ALA 5 -5.688 5.682 11.032 20 HA ALA 5 HA ALA 5 -3.567 4.716 12.815 21 1HB ALA 5 HB1 ALA 5 -6.088 3.263 11.995 22 2HB ALA 5 HB2 ALA 5 -5.769 3.950 13.590 23 3HB ALA 5 HB3 ALA 5 -4.797 2.603 12.999 24 H GLN 6 HN GLN 6 -5.426 3.987 9.899 25 HA GLN 6 HA GLN 6 -3.237 2.472 8.811 26 1HB GLN 6 HB2 GLN 6 -5.483 1.688 8.358 27 2HB GLN 6 HB1 GLN 6 -5.933 3.237 7.673 28 1HG GLN 6 HG2 GLN 6 -4.526 2.886 5.775 29 2HG GLN 6 HG1 GLN 6 -3.819 1.444 6.501 30 1HE2 GLN 6 HE21 GLN 6 -4.938 -0.459 6.440 31 2HE2 GLN 6 HE22 GLN 6 -6.382 -0.680 5.518 32 H ARG 7 HN ARG 7 -1.638 3.367 7.846 33 HA ARG 7 HA ARG 7 -1.831 6.074 6.778 34 1HB ARG 7 HB2 ARG 7 0.041 5.327 8.314 35 2HB ARG 7 HB1 ARG 7 0.548 4.218 7.058 36 1HG ARG 7 HG2 ARG 7 1.012 6.122 5.584 37 2HG ARG 7 HG1 ARG 7 0.518 7.225 6.877 38 1HD ARG 7 HD2 ARG 7 2.266 6.195 8.326 39 2HD ARG 7 HD1 ARG 7 2.811 5.265 6.934 40 HE ARG 7 HE ARG 7 2.704 8.108 6.530 41 1HH1 ARG 7 HH11 ARG 7 4.851 5.316 7.368 42 2HH1 ARG 7 HH12 ARG 7 6.232 6.274 7.373 43 1HH2 ARG 7 HH21 ARG 7 4.703 9.352 6.505 44 2HH2 ARG 7 HH22 ARG 7 6.179 8.573 6.852 45 H ASP 8 HN ASP 8 -1.684 6.425 4.562 46 HA ASP 8 HA ASP 8 -2.317 4.289 2.786 47 1HB ASP 8 HB2 ASP 8 -2.939 6.579 2.193 48 2HB ASP 8 HB1 ASP 8 -1.244 7.057 2.185 49 H LEU 9 HN LEU 9 -1.039 3.109 1.452 50 HA LEU 9 HA LEU 9 1.520 2.649 2.479 51 1HB LEU 9 HB2 LEU 9 0.100 1.454 0.142 52 2HB LEU 9 HB1 LEU 9 1.716 0.962 0.604 53 HG LEU 9 HG LEU 9 -0.755 0.749 2.324 54 1HD1 LEU 9 HD11 LEU 9 -0.448 -1.641 2.083 55 2HD1 LEU 9 HD12 LEU 9 0.918 -1.373 0.993 56 3HD1 LEU 9 HD13 LEU 9 -0.709 -0.876 0.517 57 1HD2 LEU 9 HD21 LEU 9 1.228 1.215 3.663 58 2HD2 LEU 9 HD22 LEU 9 2.085 -0.108 2.872 59 3HD2 LEU 9 HD23 LEU 9 0.689 -0.449 3.893 60 H VAL 10 HN VAL 10 0.578 4.643 -0.214 61 HA VAL 10 HA VAL 10 3.353 4.725 -1.022 62 HB VAL 10 HB VAL 10 0.897 6.079 -2.199 63 1HG1 VAL 10 HG11 VAL 10 2.354 6.901 -3.998 64 2HG1 VAL 10 HG12 VAL 10 3.768 6.250 -3.170 65 3HG1 VAL 10 HG13 VAL 10 2.864 7.584 -2.453 66 1HG2 VAL 10 HG21 VAL 10 1.141 3.728 -2.588 67 2HG2 VAL 10 HG22 VAL 10 2.780 3.975 -3.207 68 3HG2 VAL 10 HG23 VAL 10 1.390 4.633 -4.081 69 H LYS 11 HN LYS 11 1.038 6.577 0.761 70 HA LYS 11 HA LYS 11 2.887 8.745 1.101 71 1HB LYS 11 HB2 LYS 11 0.356 8.072 2.604 72 2HB LYS 11 HB1 LYS 11 1.493 9.288 3.152 73 1HG LYS 11 HG2 LYS 11 -0.232 10.480 2.069 74 2HG LYS 11 HG1 LYS 11 1.113 10.476 0.945 75 1HD LYS 11 HD2 LYS 11 -1.040 8.408 0.730 76 2HD LYS 11 HD1 LYS 11 -1.320 10.037 0.134 77 1HE LYS 11 HE2 LYS 11 0.521 9.831 -1.403 78 2HE LYS 11 HE1 LYS 11 0.957 8.261 -0.716 79 1HZ LYS 11 HZ1 LYS 11 -1.035 7.322 -1.498 80 2HZ LYS 11 HZ2 LYS 11 -0.392 8.189 -2.837 81 3HZ LYS 11 HZ3 LYS 11 -1.668 8.820 -1.934 82 H ALA 12 HN ALA 12 2.777 5.667 2.253 83 HA ALA 12 HA ALA 12 4.390 6.260 4.617 84 1HB ALA 12 HB1 ALA 12 4.102 3.913 5.212 85 2HB ALA 12 HB2 ALA 12 3.248 3.619 3.697 86 3HB ALA 12 HB3 ALA 12 2.540 4.677 4.918 87 H VAL 13 HN VAL 13 4.496 3.683 2.165 88 HA VAL 13 HA VAL 13 7.201 3.098 2.578 89 HB VAL 13 HB VAL 13 5.412 2.416 0.227 90 1HG1 VAL 13 HG11 VAL 13 7.028 0.636 -0.267 91 2HG1 VAL 13 HG12 VAL 13 8.100 1.275 0.984 92 3HG1 VAL 13 HG13 VAL 13 7.718 2.248 -0.441 93 1HG2 VAL 13 HG21 VAL 13 5.212 0.229 1.328 94 2HG2 VAL 13 HG22 VAL 13 4.615 1.533 2.356 95 3HG2 VAL 13 HG23 VAL 13 6.195 0.820 2.669 96 H ALA 14 HN ALA 14 5.628 4.931 -0.023 97 HA ALA 14 HA ALA 14 8.064 5.459 -1.346 98 1HB ALA 14 HB1 ALA 14 6.816 7.133 -2.665 99 2HB ALA 14 HB2 ALA 14 5.483 7.023 -1.509 100 3HB ALA 14 HB3 ALA 14 5.885 5.635 -2.505 101 H HIS 15 HN HIS 15 6.415 6.991 1.298 102 HA HIS 15 HA HIS 15 7.954 9.416 1.186 103 1HB HIS 15 HB2 HIS 15 5.687 9.195 2.307 104 2HB HIS 15 HB1 HIS 15 6.498 8.326 3.601 105 HD1 HIS 15 HD1 HIS 15 7.527 9.767 5.461 106 HD2 HIS 15 HD2 HIS 15 6.523 11.951 2.061 107 HE1 HIS 15 HE1 HIS 15 7.775 12.160 6.091 108 HE2 HIS 15 HE2 HIS 15 7.012 13.465 4.067 109 H ILE 16 HN ILE 16 8.331 6.287 2.649 110 HA ILE 16 HA ILE 16 10.486 6.858 4.392 111 HB ILE 16 HB ILE 16 9.774 4.269 2.942 112 1HG1 ILE 16 HG12 ILE 16 8.006 4.996 4.431 113 2HG1 ILE 16 HG11 ILE 16 8.786 3.564 5.087 114 1HG2 ILE 16 HG21 ILE 16 11.675 4.609 5.256 115 2HG2 ILE 16 HG22 ILE 16 12.093 4.104 3.615 116 3HG2 ILE 16 HG23 ILE 16 11.090 3.069 4.634 117 1HD1 ILE 16 HD11 ILE 16 10.039 4.977 6.646 118 2HD1 ILE 16 HD12 ILE 16 8.298 5.172 6.836 119 3HD1 ILE 16 HD13 ILE 16 9.237 6.405 5.991 120 H LEU 17 HN LEU 17 10.249 6.191 1.001 121 HA LEU 17 HA LEU 17 13.107 6.151 0.521 122 1HB LEU 17 HB2 LEU 17 10.836 6.436 -1.453 123 2HB LEU 17 HB1 LEU 17 12.497 6.034 -1.832 124 HG LEU 17 HG LEU 17 10.571 4.298 -0.296 125 1HD1 LEU 17 HD11 LEU 17 11.650 4.062 -3.095 126 2HD1 LEU 17 HD12 LEU 17 9.993 4.447 -2.636 127 3HD1 LEU 17 HD13 LEU 17 10.663 2.856 -2.271 128 1HD2 LEU 17 HD21 LEU 17 12.303 2.572 -0.491 129 2HD2 LEU 17 HD22 LEU 17 12.860 3.960 0.445 130 3HD2 LEU 17 HD23 LEU 17 13.390 3.755 -1.225 131 H GLY 18 HN GLY 18 10.440 8.363 0.226 132 1HA GLY 18 HA2 GLY 18 10.821 10.735 0.636 133 2HA GLY 18 HA1 GLY 18 12.324 10.578 -0.269 134 H ILE 19 HN ILE 19 9.262 9.131 -1.198 135 HA ILE 19 HA ILE 19 8.978 11.050 -3.357 136 HB ILE 19 HB ILE 19 8.130 8.973 -4.642 137 1HG1 ILE 19 HG12 ILE 19 10.283 7.712 -2.938 138 2HG1 ILE 19 HG11 ILE 19 8.569 7.321 -2.924 139 1HG2 ILE 19 HG21 ILE 19 10.350 8.820 -5.777 140 2HG2 ILE 19 HG22 ILE 19 11.047 9.740 -4.439 141 3HG2 ILE 19 HG23 ILE 19 9.823 10.477 -5.481 142 1HD1 ILE 19 HD11 ILE 19 10.457 6.899 -5.233 143 2HD1 ILE 19 HD12 ILE 19 8.742 6.489 -5.215 144 3HD1 ILE 19 HD13 ILE 19 9.861 5.655 -4.137 145 H ARG 20 HN ARG 20 6.938 10.618 -4.550 146 HA ARG 20 HA ARG 20 4.724 9.265 -3.441 147 1HB ARG 20 HB2 ARG 20 4.869 11.141 -1.787 148 2HB ARG 20 HB1 ARG 20 4.673 12.274 -3.116 149 1HG ARG 20 HG2 ARG 20 2.482 11.215 -3.615 150 2HG ARG 20 HG1 ARG 20 2.684 10.236 -2.164 151 1HD ARG 20 HD2 ARG 20 2.598 13.241 -2.283 152 2HD ARG 20 HD1 ARG 20 1.294 12.189 -1.744 153 HE ARG 20 HE ARG 20 3.664 11.734 -0.246 154 1HH1 ARG 20 HH11 ARG 20 0.985 14.026 -0.599 155 2HH1 ARG 20 HH12 ARG 20 1.078 14.605 1.003 156 1HH2 ARG 20 HH21 ARG 20 3.756 12.482 1.963 157 2HH2 ARG 20 HH22 ARG 20 2.714 13.700 2.497 158 H ASP 21 HN ASP 21 5.858 12.066 -5.230 159 HA ASP 21 HA ASP 21 3.714 12.331 -7.005 160 1HB ASP 21 HB2 ASP 21 5.106 13.840 -8.255 161 2HB ASP 21 HB1 ASP 21 5.481 14.071 -6.551 162 H LEU 22 HN LEU 22 6.820 10.699 -7.480 163 HA LEU 22 HA LEU 22 7.472 9.004 -8.856 164 1HB LEU 22 HB2 LEU 22 4.524 8.504 -8.685 165 2HB LEU 22 HB1 LEU 22 5.483 7.573 -9.808 166 HG LEU 22 HG LEU 22 4.997 6.436 -7.691 167 1HD1 LEU 22 HD11 LEU 22 7.275 5.606 -7.293 168 2HD1 LEU 22 HD12 LEU 22 7.920 7.024 -8.112 169 3HD1 LEU 22 HD13 LEU 22 6.981 5.839 -9.021 170 1HD2 LEU 22 HD21 LEU 22 6.804 8.499 -6.448 171 2HD2 LEU 22 HD22 LEU 22 6.221 7.040 -5.649 172 3HD2 LEU 22 HD23 LEU 22 5.081 8.295 -6.141 173 H ALA 23 HN ALA 23 6.918 11.710 -10.001 174 HA ALA 23 HA ALA 23 5.712 11.256 -12.543 175 1HB ALA 23 HB1 ALA 23 6.277 13.555 -13.054 176 2HB ALA 23 HB2 ALA 23 7.333 13.625 -11.641 177 3HB ALA 23 HB3 ALA 23 5.590 13.442 -11.435 178 H GLY 24 HN GLY 24 8.737 10.714 -11.375 179 1HA GLY 24 HA2 GLY 24 9.584 9.963 -14.069 180 2HA GLY 24 HA1 GLY 24 10.633 11.093 -13.213 181 H ILE 25 HN ILE 25 9.030 8.824 -11.287 182 HA ILE 25 HA ILE 25 11.618 7.568 -10.855 183 HB ILE 25 HB ILE 25 9.184 7.654 -9.030 184 1HG1 ILE 25 HG12 ILE 25 10.812 8.850 -7.450 185 2HG1 ILE 25 HG11 ILE 25 11.873 9.024 -8.837 186 1HG2 ILE 25 HG21 ILE 25 10.557 6.544 -7.318 187 2HG2 ILE 25 HG22 ILE 25 11.854 6.363 -8.500 188 3HG2 ILE 25 HG23 ILE 25 10.318 5.530 -8.744 189 1HD1 ILE 25 HD11 ILE 25 10.140 10.348 -9.968 190 2HD1 ILE 25 HD12 ILE 25 10.621 11.059 -8.429 191 3HD1 ILE 25 HD13 ILE 25 9.100 10.175 -8.552 192 H ASN 26 HN ASN 26 11.862 5.404 -11.022 193 HA ASN 26 HA ASN 26 10.310 4.058 -12.905 194 1HB ASN 26 HB2 ASN 26 12.411 3.072 -11.002 195 2HB ASN 26 HB1 ASN 26 11.598 2.002 -12.137 196 1HD2 ASN 26 HD21 ASN 26 12.125 2.084 -14.281 197 2HD2 ASN 26 HD22 ASN 26 13.423 3.042 -14.886 198 H LEU 27 HN LEU 27 8.582 2.966 -12.857 199 HA LEU 27 HA LEU 27 7.367 2.091 -10.322 200 1HB LEU 27 HB2 LEU 27 6.247 2.343 -13.119 201 2HB LEU 27 HB1 LEU 27 5.334 1.833 -11.714 202 HG LEU 27 HG LEU 27 6.582 4.563 -12.038 203 1HD1 LEU 27 HD11 LEU 27 4.310 5.334 -12.425 204 2HD1 LEU 27 HD12 LEU 27 3.724 3.675 -12.345 205 3HD1 LEU 27 HD13 LEU 27 4.792 4.169 -13.660 206 1HD2 LEU 27 HD21 LEU 27 4.615 3.475 -10.027 207 2HD2 LEU 27 HD22 LEU 27 5.183 5.138 -10.123 208 3HD2 LEU 27 HD23 LEU 27 6.310 3.846 -9.713 209 H ASP 28 HN ASP 28 9.440 1.010 -12.391 210 HA ASP 28 HA ASP 28 8.349 -1.697 -12.693 211 1HB ASP 28 HB2 ASP 28 10.199 -2.031 -14.361 212 2HB ASP 28 HB1 ASP 28 9.015 -0.819 -14.820 213 H SER 29 HN SER 29 9.831 -0.186 -10.444 214 HA SER 29 HA SER 29 11.995 -2.075 -9.967 215 1HB SER 29 HB2 SER 29 11.123 0.316 -8.337 216 2HB SER 29 HB1 SER 29 12.657 -0.549 -8.235 217 HG SER 29 HG SER 29 12.960 0.118 -10.489 218 H SER 30 HN SER 30 11.738 -3.646 -8.395 219 HA SER 30 HA SER 30 9.106 -4.059 -7.348 220 1HB SER 30 HB2 SER 30 11.726 -5.485 -6.876 221 2HB SER 30 HB1 SER 30 10.146 -6.092 -6.403 222 HG SER 30 HG SER 30 11.372 -5.933 -8.899 223 H LEU 31 HN LEU 31 8.785 -4.290 -5.000 224 HA LEU 31 HA LEU 31 9.815 -2.110 -3.527 225 1HB LEU 31 HB2 LEU 31 7.600 -3.290 -3.189 226 2HB LEU 31 HB1 LEU 31 8.479 -4.614 -2.461 227 HG LEU 31 HG LEU 31 9.194 -3.120 -0.622 228 1HD1 LEU 31 HD11 LEU 31 8.183 -0.924 -0.436 229 2HD1 LEU 31 HD12 LEU 31 7.404 -1.164 -2.003 230 3HD1 LEU 31 HD13 LEU 31 9.165 -1.036 -1.905 231 1HD2 LEU 31 HD21 LEU 31 7.024 -2.857 0.412 232 2HD2 LEU 31 HD22 LEU 31 7.139 -4.405 -0.429 233 3HD2 LEU 31 HD23 LEU 31 6.243 -3.072 -1.152 234 H ALA 32 HN ALA 32 10.786 -5.386 -3.963 235 HA ALA 32 HA ALA 32 12.597 -5.547 -1.833 236 1HB ALA 32 HB1 ALA 32 12.658 -7.023 -4.463 237 2HB ALA 32 HB2 ALA 32 11.823 -7.544 -2.997 238 3HB ALA 32 HB3 ALA 32 13.582 -7.457 -3.026 239 H ASP 33 HN ASP 33 12.829 -4.214 -5.076 240 HA ASP 33 HA ASP 33 15.663 -3.974 -5.150 241 1HB ASP 33 HB2 ASP 33 13.546 -2.439 -6.687 242 2HB ASP 33 HB1 ASP 33 15.270 -2.267 -6.958 243 H LEU 34 HN LEU 34 13.068 -2.170 -3.894 244 HA LEU 34 HA LEU 34 14.400 0.316 -3.518 245 1HB LEU 34 HB2 LEU 34 12.035 -0.753 -1.993 246 2HB LEU 34 HB1 LEU 34 12.469 0.932 -2.242 247 HG LEU 34 HG LEU 34 11.533 -0.979 -4.374 248 1HD1 LEU 34 HD11 LEU 34 10.134 1.317 -3.065 249 2HD1 LEU 34 HD12 LEU 34 9.798 -0.416 -2.905 250 3HD1 LEU 34 HD13 LEU 34 9.550 0.386 -4.457 251 1HD2 LEU 34 HD21 LEU 34 12.139 1.960 -4.554 252 2HD2 LEU 34 HD22 LEU 34 11.397 0.944 -5.804 253 3HD2 LEU 34 HD23 LEU 34 13.061 0.636 -5.295 254 H GLY 35 HN GLY 35 14.117 -2.635 -1.722 255 1HA GLY 35 HA2 GLY 35 16.136 -3.004 -0.306 256 2HA GLY 35 HA1 GLY 35 15.765 -1.442 0.402 257 H LEU 36 HN LEU 36 13.086 -3.532 -0.326 258 HA LEU 36 HA LEU 36 12.457 -3.648 2.391 259 1HB LEU 36 HB2 LEU 36 10.538 -3.699 1.305 260 2HB LEU 36 HB1 LEU 36 11.092 -4.611 -0.052 261 HG LEU 36 HG LEU 36 10.837 -6.703 1.310 262 1HD1 LEU 36 HD11 LEU 36 11.168 -5.784 3.532 263 2HD1 LEU 36 HD12 LEU 36 9.633 -6.648 3.412 264 3HD1 LEU 36 HD13 LEU 36 9.657 -4.883 3.392 265 1HD2 LEU 36 HD21 LEU 36 9.046 -5.958 -0.111 266 2HD2 LEU 36 HD22 LEU 36 8.417 -4.951 1.191 267 3HD2 LEU 36 HD23 LEU 36 8.410 -6.710 1.356 268 H ASP 37 HN ASP 37 13.456 -4.553 3.773 269 HA ASP 37 HA ASP 37 13.589 -7.444 3.838 270 1HB ASP 37 HB2 ASP 37 15.858 -6.928 3.141 271 2HB ASP 37 HB1 ASP 37 16.005 -5.705 4.401 272 H SER 38 HN SER 38 13.864 -4.323 5.497 273 HA SER 38 HA SER 38 12.952 -5.733 7.879 274 1HB SER 38 HB2 SER 38 14.597 -3.201 7.812 275 2HB SER 38 HB1 SER 38 14.087 -4.084 9.252 276 HG SER 38 HG SER 38 15.398 -5.618 7.389 277 H LEU 39 HN LEU 39 12.991 -2.178 7.362 278 HA LEU 39 HA LEU 39 10.493 -1.976 8.690 279 1HB LEU 39 HB2 LEU 39 12.163 -0.223 8.839 280 2HB LEU 39 HB1 LEU 39 12.000 0.104 7.123 281 HG LEU 39 HG LEU 39 9.583 0.658 7.580 282 1HD1 LEU 39 HD11 LEU 39 9.310 -0.397 9.715 283 2HD1 LEU 39 HD12 LEU 39 8.988 1.332 9.853 284 3HD1 LEU 39 HD13 LEU 39 10.514 0.670 10.436 285 1HD2 LEU 39 HD21 LEU 39 11.709 2.382 8.827 286 2HD2 LEU 39 HD22 LEU 39 10.079 2.903 8.367 287 3HD2 LEU 39 HD23 LEU 39 11.214 2.352 7.129 288 H MET 40 HN MET 40 11.367 -2.095 5.336 289 HA MET 40 HA MET 40 8.944 -0.943 4.326 290 1HB MET 40 HB2 MET 40 11.004 -2.617 2.899 291 2HB MET 40 HB1 MET 40 9.726 -1.663 2.151 292 1HG MET 40 HG2 MET 40 10.682 0.377 3.022 293 2HG MET 40 HG1 MET 40 11.943 -0.545 3.836 294 1HE MET 40 HE1 MET 40 13.985 1.241 1.097 295 2HE MET 40 HE2 MET 40 13.853 0.843 2.809 296 3HE MET 40 HE3 MET 40 12.646 1.884 2.051 297 H GLY 41 HN GLY 41 9.334 -3.716 5.889 298 1HA GLY 41 HA2 GLY 41 6.980 -4.866 4.548 299 2HA GLY 41 HA1 GLY 41 8.253 -5.869 5.241 300 H VAL 42 HN VAL 42 8.702 -4.229 7.551 301 HA VAL 42 HA VAL 42 6.735 -5.381 9.228 302 HB VAL 42 HB VAL 42 8.862 -3.322 9.917 303 1HG1 VAL 42 HG11 VAL 42 7.197 -5.061 11.737 304 2HG1 VAL 42 HG12 VAL 42 7.050 -3.314 11.558 305 3HG1 VAL 42 HG13 VAL 42 8.517 -4.009 12.248 306 1HG2 VAL 42 HG21 VAL 42 9.805 -5.416 9.104 307 2HG2 VAL 42 HG22 VAL 42 8.825 -6.319 10.258 308 3HG2 VAL 42 HG23 VAL 42 10.093 -5.239 10.835 309 H GLU 43 HN GLU 43 7.281 -1.974 8.169 310 HA GLU 43 HA GLU 43 5.171 -1.058 9.790 311 1HB GLU 43 HB2 GLU 43 6.914 0.486 8.876 312 2HB GLU 43 HB1 GLU 43 6.204 0.295 7.273 313 1HG GLU 43 HG2 GLU 43 4.158 1.305 7.977 314 2HG GLU 43 HG1 GLU 43 4.673 1.301 9.656 315 H VAL 44 HN VAL 44 5.358 -2.289 6.566 316 HA VAL 44 HA VAL 44 2.773 -1.700 5.641 317 HB VAL 44 HB VAL 44 4.450 -4.150 5.004 318 1HG1 VAL 44 HG11 VAL 44 2.197 -2.879 3.458 319 2HG1 VAL 44 HG12 VAL 44 2.149 -4.428 4.303 320 3HG1 VAL 44 HG13 VAL 44 3.197 -4.223 2.898 321 1HG2 VAL 44 HG21 VAL 44 5.678 -2.124 4.593 322 2HG2 VAL 44 HG22 VAL 44 4.343 -1.468 3.638 323 3HG2 VAL 44 HG23 VAL 44 5.232 -2.888 3.071 324 H ARG 45 HN ARG 45 4.035 -4.598 7.266 325 HA ARG 45 HA ARG 45 1.594 -5.912 7.483 326 1HB ARG 45 HB2 ARG 45 4.142 -6.141 9.015 327 2HB ARG 45 HB1 ARG 45 2.753 -7.091 9.491 328 1HG ARG 45 HG2 ARG 45 2.684 -7.994 7.160 329 2HG ARG 45 HG1 ARG 45 4.201 -7.142 6.857 330 1HD ARG 45 HD2 ARG 45 3.791 -9.168 9.048 331 2HD ARG 45 HD1 ARG 45 4.472 -9.533 7.464 332 HE ARG 45 HE ARG 45 6.282 -8.024 7.995 333 1HH1 ARG 45 HH11 ARG 45 4.336 -8.969 10.845 334 2HH1 ARG 45 HH12 ARG 45 5.660 -9.036 11.896 335 1HH2 ARG 45 HH21 ARG 45 8.076 -8.181 9.425 336 2HH2 ARG 45 HH22 ARG 45 7.862 -8.592 11.088 337 H GLN 46 HN GLN 46 3.027 -3.517 9.649 338 HA GLN 46 HA GLN 46 0.946 -3.978 11.551 339 1HB GLN 46 HB2 GLN 46 2.951 -1.725 11.426 340 2HB GLN 46 HB1 GLN 46 1.803 -1.955 12.737 341 1HG GLN 46 HG2 GLN 46 2.792 -4.181 13.155 342 2HG GLN 46 HG1 GLN 46 3.983 -3.835 11.909 343 1HE2 GLN 46 HE21 GLN 46 4.154 -0.997 12.720 344 2HE2 GLN 46 HE22 GLN 46 5.086 -0.986 14.157 345 H ILE 47 HN ILE 47 0.987 -2.312 8.684 346 HA ILE 47 HA ILE 47 -1.232 -0.621 9.506 347 HB ILE 47 HB ILE 47 -0.023 -1.007 6.740 348 1HG1 ILE 47 HG12 ILE 47 0.296 1.293 8.690 349 2HG1 ILE 47 HG11 ILE 47 1.512 0.069 8.338 350 1HG2 ILE 47 HG21 ILE 47 -2.351 -0.328 6.619 351 2HG2 ILE 47 HG22 ILE 47 -1.307 1.015 6.138 352 3HG2 ILE 47 HG23 ILE 47 -2.043 0.994 7.742 353 1HD1 ILE 47 HD11 ILE 47 1.643 0.842 6.035 354 2HD1 ILE 47 HD12 ILE 47 1.974 2.150 7.172 355 3HD1 ILE 47 HD13 ILE 47 0.408 2.057 6.368 356 H LEU 48 HN LEU 48 -0.617 -3.148 7.089 357 HA LEU 48 HA LEU 48 -3.353 -3.382 6.467 358 1HB LEU 48 HB2 LEU 48 -0.967 -4.990 5.649 359 2HB LEU 48 HB1 LEU 48 -2.570 -5.467 5.155 360 HG LEU 48 HG LEU 48 -1.659 -4.301 3.345 361 1HD1 LEU 48 HD11 LEU 48 -3.056 -2.316 3.095 362 2HD1 LEU 48 HD12 LEU 48 -3.425 -2.377 4.820 363 3HD1 LEU 48 HD13 LEU 48 -3.940 -3.690 3.762 364 1HD2 LEU 48 HD21 LEU 48 -0.674 -2.063 3.487 365 2HD2 LEU 48 HD22 LEU 48 0.218 -3.235 4.457 366 3HD2 LEU 48 HD23 LEU 48 -0.873 -2.095 5.238 367 H GLU 49 HN GLU 49 -1.283 -5.400 8.507 368 HA GLU 49 HA GLU 49 -3.309 -7.357 8.892 369 1HB GLU 49 HB2 GLU 49 -0.974 -7.925 9.215 370 2HB GLU 49 HB1 GLU 49 -0.823 -6.728 10.487 371 1HG GLU 49 HG2 GLU 49 -2.391 -8.032 11.857 372 2HG GLU 49 HG1 GLU 49 -2.455 -9.249 10.580 373 H ARG 50 HN ARG 50 -2.304 -4.519 10.628 374 HA ARG 50 HA ARG 50 -3.920 -4.904 12.935 375 1HB ARG 50 HB2 ARG 50 -1.967 -3.521 12.999 376 2HB ARG 50 HB1 ARG 50 -2.605 -2.473 11.753 377 1HG ARG 50 HG2 ARG 50 -4.388 -1.781 13.325 378 2HG ARG 50 HG1 ARG 50 -3.599 -2.748 14.578 379 1HD ARG 50 HD2 ARG 50 -1.572 -1.445 14.352 380 2HD ARG 50 HD1 ARG 50 -2.273 -0.531 13.026 381 HE ARG 50 HE ARG 50 -3.615 -0.466 15.617 382 1HH1 ARG 50 HH11 ARG 50 -1.744 1.304 13.124 383 2HH1 ARG 50 HH12 ARG 50 -1.946 2.800 13.928 384 1HH2 ARG 50 HH21 ARG 50 -3.848 1.639 16.630 385 2HH2 ARG 50 HH22 ARG 50 -3.164 3.003 15.876 386 H GLU 51 HN GLU 51 -4.358 -2.985 9.983 387 HA GLU 51 HA GLU 51 -6.922 -2.048 10.926 388 1HB GLU 51 HB2 GLU 51 -5.235 -1.416 8.555 389 2HB GLU 51 HB1 GLU 51 -6.895 -0.858 8.688 390 1HG GLU 51 HG2 GLU 51 -4.761 -0.311 10.726 391 2HG GLU 51 HG1 GLU 51 -5.266 0.809 9.457 392 H HIS 52 HN HIS 52 -5.785 -4.402 8.589 393 HA HIS 52 HA HIS 52 -8.598 -4.660 7.760 394 1HB HIS 52 HB2 HIS 52 -6.988 -3.485 6.138 395 2HB HIS 52 HB1 HIS 52 -6.260 -5.061 5.901 396 HD1 HIS 52 HD1 HIS 52 -9.273 -3.037 5.124 397 HD2 HIS 52 HD2 HIS 52 -7.787 -6.820 4.284 398 HE1 HIS 52 HE1 HIS 52 -10.691 -3.921 3.225 399 HE2 HIS 52 HE2 HIS 52 -9.930 -6.306 2.950 400 H ASP 53 HN ASP 53 -6.186 -6.223 9.397 401 HA ASP 53 HA ASP 53 -5.598 -8.371 9.865 402 1HB ASP 53 HB2 ASP 53 -7.946 -8.663 10.478 403 2HB ASP 53 HB1 ASP 53 -8.416 -8.827 8.798 404 H LEU 54 HN LEU 54 -5.103 -7.147 7.326 405 HA LEU 54 HA LEU 54 -5.196 -9.208 5.301 406 1HB LEU 54 HB2 LEU 54 -5.937 -6.898 4.933 407 2HB LEU 54 HB1 LEU 54 -4.308 -6.345 5.196 408 HG LEU 54 HG LEU 54 -3.625 -7.718 3.197 409 1HD1 LEU 54 HD11 LEU 54 -5.540 -9.268 3.238 410 2HD1 LEU 54 HD12 LEU 54 -5.408 -8.428 1.690 411 3HD1 LEU 54 HD13 LEU 54 -6.612 -7.914 2.869 412 1HD2 LEU 54 HD21 LEU 54 -4.538 -6.111 1.616 413 2HD2 LEU 54 HD22 LEU 54 -4.026 -5.331 3.133 414 3HD2 LEU 54 HD23 LEU 54 -5.736 -5.642 2.834 415 H VAL 55 HN VAL 55 -3.642 -10.605 6.006 416 HA VAL 55 HA VAL 55 -0.956 -9.673 6.521 417 HB VAL 55 HB VAL 55 -1.998 -12.509 6.245 418 1HG1 VAL 55 HG11 VAL 55 0.670 -11.496 7.271 419 2HG1 VAL 55 HG12 VAL 55 0.416 -12.351 5.755 420 3HG1 VAL 55 HG13 VAL 55 0.142 -13.177 7.285 421 1HG2 VAL 55 HG21 VAL 55 -1.356 -10.873 8.695 422 2HG2 VAL 55 HG22 VAL 55 -1.815 -12.577 8.692 423 3HG2 VAL 55 HG23 VAL 55 -2.965 -11.352 8.156 424 H LEU 56 HN LEU 56 0.011 -8.909 4.895 425 HA LEU 56 HA LEU 56 0.037 -10.467 2.429 426 1HB LEU 56 HB2 LEU 56 1.008 -7.624 2.852 427 2HB LEU 56 HB1 LEU 56 0.882 -8.472 1.340 428 HG LEU 56 HG LEU 56 -1.466 -7.608 3.026 429 1HD1 LEU 56 HD11 LEU 56 -0.379 -6.510 0.436 430 2HD1 LEU 56 HD12 LEU 56 -0.332 -5.719 2.013 431 3HD1 LEU 56 HD13 LEU 56 -1.879 -6.011 1.218 432 1HD2 LEU 56 HD21 LEU 56 -2.819 -8.276 1.093 433 2HD2 LEU 56 HD22 LEU 56 -1.936 -9.648 1.759 434 3HD2 LEU 56 HD23 LEU 56 -1.370 -8.871 0.281 435 HA PRO 57 HA PRO 57 3.919 -11.693 4.383 436 1HB PRO 57 HB2 PRO 57 4.054 -13.335 1.918 437 2HB PRO 57 HB1 PRO 57 4.158 -13.845 3.609 438 1HG PRO 57 HG2 PRO 57 1.967 -14.387 2.217 439 2HG PRO 57 HG1 PRO 57 1.839 -13.801 3.893 440 1HD PRO 57 HD2 PRO 57 1.539 -12.255 1.348 441 2HD PRO 57 HD1 PRO 57 0.482 -12.284 2.780 442 H ILE 58 HN ILE 58 6.068 -11.214 3.918 443 HA ILE 58 HA ILE 58 6.458 -9.132 2.068 444 HB ILE 58 HB ILE 58 8.243 -10.596 3.988 445 1HG1 ILE 58 HG12 ILE 58 8.634 -8.333 4.880 446 2HG1 ILE 58 HG11 ILE 58 7.665 -7.655 3.587 447 1HG2 ILE 58 HG21 ILE 58 10.223 -9.324 3.333 448 2HG2 ILE 58 HG22 ILE 58 9.352 -8.696 1.934 449 3HG2 ILE 58 HG23 ILE 58 9.697 -10.422 2.057 450 1HD1 ILE 58 HD11 ILE 58 6.686 -9.486 5.769 451 2HD1 ILE 58 HD12 ILE 58 5.693 -8.796 4.485 452 3HD1 ILE 58 HD13 ILE 58 6.438 -7.742 5.683 453 H ARG 59 HN ARG 59 6.751 -12.468 1.839 454 HA ARG 59 HA ARG 59 8.417 -12.676 -0.448 455 1HB ARG 59 HB2 ARG 59 6.217 -14.557 0.480 456 2HB ARG 59 HB1 ARG 59 7.377 -14.931 -0.781 457 1HG ARG 59 HG2 ARG 59 8.184 -16.051 1.104 458 2HG ARG 59 HG1 ARG 59 9.174 -14.602 1.024 459 1HD ARG 59 HD2 ARG 59 7.666 -13.563 2.750 460 2HD ARG 59 HD1 ARG 59 6.825 -15.101 2.883 461 HE ARG 59 HE ARG 59 9.692 -15.162 3.235 462 1HH1 ARG 59 HH11 ARG 59 6.519 -15.186 4.902 463 2HH1 ARG 59 HH12 ARG 59 7.193 -15.516 6.422 464 1HH2 ARG 59 HH21 ARG 59 10.559 -15.736 5.357 465 2HH2 ARG 59 HH22 ARG 59 9.512 -15.887 6.678 466 H GLU 60 HN GLU 60 5.221 -11.650 0.015 467 HA GLU 60 HA GLU 60 4.523 -11.737 -2.830 468 1HB GLU 60 HB2 GLU 60 2.922 -11.192 -0.332 469 2HB GLU 60 HB1 GLU 60 2.237 -11.082 -1.938 470 1HG GLU 60 HG2 GLU 60 3.447 -13.569 -0.729 471 2HG GLU 60 HG1 GLU 60 1.723 -13.196 -0.753 472 H VAL 61 HN VAL 61 4.748 -9.611 -0.030 473 HA VAL 61 HA VAL 61 4.037 -7.189 -1.214 474 HB VAL 61 HB VAL 61 5.803 -7.685 1.217 475 1HG1 VAL 61 HG11 VAL 61 4.348 -5.170 0.415 476 2HG1 VAL 61 HG12 VAL 61 6.099 -5.395 0.410 477 3HG1 VAL 61 HG13 VAL 61 5.207 -5.436 1.931 478 1HG2 VAL 61 HG21 VAL 61 3.772 -7.253 2.477 479 2HG2 VAL 61 HG22 VAL 61 3.607 -8.644 1.406 480 3HG2 VAL 61 HG23 VAL 61 2.875 -7.100 0.966 481 H ARG 62 HN ARG 62 7.144 -8.810 -1.188 482 HA ARG 62 HA ARG 62 8.749 -6.647 -1.908 483 1HB ARG 62 HB2 ARG 62 9.066 -9.579 -2.180 484 2HB ARG 62 HB1 ARG 62 10.188 -8.530 -3.033 485 1HG ARG 62 HG2 ARG 62 10.723 -7.421 -0.919 486 2HG ARG 62 HG1 ARG 62 9.624 -8.527 -0.090 487 1HD ARG 62 HD2 ARG 62 10.976 -10.381 -0.590 488 2HD ARG 62 HD1 ARG 62 11.938 -9.457 -1.749 489 HE ARG 62 HE ARG 62 12.418 -8.086 0.443 490 1HH1 ARG 62 HH11 ARG 62 12.182 -11.597 0.225 491 2HH1 ARG 62 HH12 ARG 62 13.522 -11.879 1.225 492 1HH2 ARG 62 HH21 ARG 62 14.189 -8.440 1.812 493 2HH2 ARG 62 HH22 ARG 62 14.706 -10.040 2.174 494 H GLN 63 HN GLN 63 6.419 -8.151 -3.834 495 HA GLN 63 HA GLN 63 7.789 -7.236 -6.234 496 1HB GLN 63 HB2 GLN 63 5.487 -9.172 -5.955 497 2HB GLN 63 HB1 GLN 63 6.043 -8.541 -7.496 498 1HG GLN 63 HG2 GLN 63 7.038 -10.649 -7.292 499 2HG GLN 63 HG1 GLN 63 8.310 -9.495 -6.924 500 1HE2 GLN 63 HE21 GLN 63 5.750 -10.421 -4.702 501 2HE2 GLN 63 HE22 GLN 63 6.772 -11.297 -3.625 502 H LEU 64 HN LEU 64 5.830 -5.985 -4.067 503 HA LEU 64 HA LEU 64 3.891 -4.798 -5.810 504 1HB LEU 64 HB2 LEU 64 4.732 -3.795 -3.076 505 2HB LEU 64 HB1 LEU 64 3.263 -3.382 -3.926 506 HG LEU 64 HG LEU 64 3.977 -6.010 -2.667 507 1HD1 LEU 64 HD11 LEU 64 3.280 -4.343 -1.086 508 2HD1 LEU 64 HD12 LEU 64 2.035 -5.579 -1.240 509 3HD1 LEU 64 HD13 LEU 64 1.825 -4.012 -2.024 510 1HD2 LEU 64 HD21 LEU 64 1.492 -5.320 -4.238 511 2HD2 LEU 64 HD22 LEU 64 1.746 -6.810 -3.328 512 3HD2 LEU 64 HD23 LEU 64 2.749 -6.450 -4.733 513 H THR 65 HN THR 65 4.571 -3.459 -7.384 514 HA THR 65 HA THR 65 7.080 -2.163 -7.186 515 HB THR 65 HB THR 65 6.462 -1.462 -9.557 516 HG1 THR 65 HG1 THR 65 4.172 -1.717 -9.438 517 1HG2 THR 65 HG21 THR 65 7.868 -3.352 -8.977 518 2HG2 THR 65 HG22 THR 65 6.794 -3.777 -10.337 519 3HG2 THR 65 HG23 THR 65 6.416 -4.305 -8.682 520 H LEU 66 HN LEU 66 6.246 -0.905 -5.332 521 HA LEU 66 HA LEU 66 5.949 1.097 -4.340 522 1HB LEU 66 HB2 LEU 66 7.526 1.751 -6.278 523 2HB LEU 66 HB1 LEU 66 6.110 2.427 -7.049 524 HG LEU 66 HG LEU 66 7.485 4.149 -5.964 525 1HD1 LEU 66 HD11 LEU 66 5.785 5.287 -4.639 526 2HD1 LEU 66 HD12 LEU 66 4.850 3.792 -4.577 527 3HD1 LEU 66 HD13 LEU 66 5.116 4.600 -6.122 528 1HD2 LEU 66 HD21 LEU 66 7.671 4.260 -3.531 529 2HD2 LEU 66 HD22 LEU 66 8.451 2.821 -4.192 530 3HD2 LEU 66 HD23 LEU 66 6.879 2.689 -3.404 531 H ARG 67 HN ARG 67 4.152 1.368 -7.381 532 HA ARG 67 HA ARG 67 2.031 2.705 -5.986 533 1HB ARG 67 HB2 ARG 67 2.454 2.039 -8.875 534 2HB ARG 67 HB1 ARG 67 0.931 2.695 -8.284 535 1HG ARG 67 HG2 ARG 67 3.633 3.998 -8.031 536 2HG ARG 67 HG1 ARG 67 2.337 4.469 -9.141 537 1HD ARG 67 HD2 ARG 67 0.862 4.794 -7.140 538 2HD ARG 67 HD1 ARG 67 2.251 4.472 -6.154 539 HE ARG 67 HE ARG 67 3.126 6.493 -6.543 540 1HH1 ARG 67 HH11 ARG 67 0.484 6.093 -8.951 541 2HH1 ARG 67 HH12 ARG 67 0.302 7.755 -9.183 542 1HH2 ARG 67 HH21 ARG 67 2.765 8.855 -6.891 543 2HH2 ARG 67 HH22 ARG 67 1.609 9.333 -8.017 544 H LYS 68 HN LYS 68 2.746 -0.472 -6.978 545 HA LYS 68 HA LYS 68 0.102 -1.480 -6.834 546 1HB LYS 68 HB2 LYS 68 2.188 -2.699 -7.759 547 2HB LYS 68 HB1 LYS 68 2.538 -3.046 -6.061 548 1HG LYS 68 HG2 LYS 68 0.541 -4.273 -5.804 549 2HG LYS 68 HG1 LYS 68 -0.003 -3.827 -7.424 550 1HD LYS 68 HD2 LYS 68 1.884 -5.041 -8.387 551 2HD LYS 68 HD1 LYS 68 2.418 -5.482 -6.757 552 1HE LYS 68 HE2 LYS 68 0.357 -6.612 -6.356 553 2HE LYS 68 HE1 LYS 68 -0.246 -6.159 -7.949 554 1HZ LYS 68 HZ1 LYS 68 0.538 -8.407 -8.043 555 2HZ LYS 68 HZ2 LYS 68 2.006 -8.016 -7.338 556 3HZ LYS 68 HZ3 LYS 68 1.673 -7.480 -8.899 557 H LEU 69 HN LEU 69 2.356 -0.517 -4.574 558 HA LEU 69 HA LEU 69 1.365 -1.639 -2.167 559 1HB LEU 69 HB2 LEU 69 2.662 1.027 -2.671 560 2HB LEU 69 HB1 LEU 69 1.956 0.707 -1.108 561 HG LEU 69 HG LEU 69 4.323 0.379 -1.014 562 1HD1 LEU 69 HD11 LEU 69 2.894 -2.253 -0.923 563 2HD1 LEU 69 HD12 LEU 69 3.003 -1.065 0.375 564 3HD1 LEU 69 HD13 LEU 69 4.454 -1.903 -0.177 565 1HD2 LEU 69 HD21 LEU 69 5.481 -1.339 -2.304 566 2HD2 LEU 69 HD22 LEU 69 4.777 -0.106 -3.354 567 3HD2 LEU 69 HD23 LEU 69 3.991 -1.678 -3.185 568 H GLN 70 HN GLN 70 0.322 1.375 -3.775 569 HA GLN 70 HA GLN 70 -1.928 1.600 -1.987 570 1HB GLN 70 HB2 GLN 70 -2.555 3.623 -3.282 571 2HB GLN 70 HB1 GLN 70 -0.922 3.684 -2.644 572 1HG GLN 70 HG2 GLN 70 -0.001 3.226 -4.776 573 2HG GLN 70 HG1 GLN 70 -1.607 2.958 -5.488 574 1HE2 GLN 70 HE21 GLN 70 -1.321 4.557 -6.987 575 2HE2 GLN 70 HE22 GLN 70 -1.288 6.245 -6.580 576 H GLU 71 HN GLU 71 -1.480 -0.476 -4.180 577 HA GLU 71 HA GLU 71 -4.171 -0.444 -5.315 578 1HB GLU 71 HB2 GLU 71 -2.282 -0.953 -6.840 579 2HB GLU 71 HB1 GLU 71 -1.781 -2.262 -5.789 580 1HG GLU 71 HG2 GLU 71 -3.808 -3.479 -6.312 581 2HG GLU 71 HG1 GLU 71 -4.360 -2.149 -7.329 582 H MET 72 HN MET 72 -2.236 -1.655 -2.803 583 HA MET 72 HA MET 72 -4.232 -3.678 -2.007 584 1HB MET 72 HB2 MET 72 -1.245 -3.665 -1.458 585 2HB MET 72 HB1 MET 72 -2.379 -4.901 -0.951 586 1HG MET 72 HG2 MET 72 -1.577 -4.274 -3.801 587 2HG MET 72 HG1 MET 72 -1.039 -5.626 -2.827 588 1HE MET 72 HE1 MET 72 -2.382 -5.790 -5.768 589 2HE MET 72 HE2 MET 72 -3.402 -7.215 -5.581 590 3HE MET 72 HE3 MET 72 -1.768 -7.206 -4.915 591 H SER 73 HN SER 73 -3.684 -0.678 -1.453 592 HA SER 73 HA SER 73 -2.632 -0.539 1.169 593 1HB SER 73 HB2 SER 73 -3.202 1.901 0.867 594 2HB SER 73 HB1 SER 73 -2.104 1.187 -0.309 595 HG SER 73 HG SER 73 -4.577 2.254 -0.693 596 H SER 74 HN SER 74 -5.674 -1.254 -0.047 597 HA SER 74 HA SER 74 -7.682 -1.614 0.828 598 1HB SER 74 HB2 SER 74 -6.612 -0.647 3.511 599 2HB SER 74 HB1 SER 74 -8.138 -1.501 3.245 600 HG SER 74 HG SER 74 -5.732 -2.606 2.361 601 H LYS 75 HN LYS 75 -6.343 1.522 1.763 602 HA LYS 75 HA LYS 75 -8.864 2.714 0.803 603 1HB LYS 75 HB2 LYS 75 -8.553 4.620 2.263 604 2HB LYS 75 HB1 LYS 75 -8.471 3.171 3.248 605 1HG LYS 75 HG2 LYS 75 -6.092 3.355 3.454 606 2HG LYS 75 HG1 LYS 75 -6.037 4.638 2.243 607 1HD LYS 75 HD2 LYS 75 -7.328 6.099 3.735 608 2HD LYS 75 HD1 LYS 75 -7.387 4.815 4.942 609 1HE LYS 75 HE2 LYS 75 -4.964 4.874 5.160 610 2HE LYS 75 HE1 LYS 75 -4.863 6.093 3.892 611 1HZ LYS 75 HZ1 LYS 75 -5.918 7.689 5.301 612 2HZ LYS 75 HZ2 LYS 75 -4.754 6.946 6.279 613 3HZ LYS 75 HZ3 LYS 75 -6.365 6.522 6.416 614 H ALA 76 HN ALA 76 -8.420 5.004 -0.110 615 HA ALA 76 HA ALA 76 -5.837 4.934 -1.496 616 1HB ALA 76 HB1 ALA 76 -6.923 6.150 -3.328 617 2HB ALA 76 HB2 ALA 76 -8.451 6.121 -2.446 618 3HB ALA 76 HB3 ALA 76 -7.736 4.614 -3.023 619 H GLY 77 HN GLY 77 -4.534 6.325 -0.496 620 1HA GLY 77 HA2 GLY 77 -5.596 8.744 0.699 621 2HA GLY 77 HA1 GLY 77 -3.927 8.173 0.760 622 H SER 78 HN SER 78 -6.322 9.699 -1.226 623 HA SER 78 HA SER 78 -4.264 10.475 -3.161 624 1HB SER 78 HB2 SER 78 -7.262 10.739 -3.349 625 2HB SER 78 HB1 SER 78 -6.093 10.977 -4.648 626 HG SER 78 HG SER 78 -7.162 8.892 -4.599 627 H ASP 79 HN ASP 79 -6.601 11.708 -0.868 628 HA ASP 79 HA ASP 79 -7.152 13.710 -0.049 629 1HB ASP 79 HB2 ASP 79 -4.790 13.997 0.572 630 2HB ASP 79 HB1 ASP 79 -4.393 14.515 -1.060 631 H THR 80 HN THR 80 -5.292 14.997 -2.637 632 HA THR 80 HA THR 80 -6.818 15.114 -4.765 633 HB THR 80 HB THR 80 -8.613 16.330 -3.419 634 HG1 THR 80 HG1 THR 80 -8.240 16.591 -5.726 635 1HG2 THR 80 HG21 THR 80 -7.176 17.706 -1.974 636 2HG2 THR 80 HG22 THR 80 -8.298 18.718 -2.884 637 3HG2 THR 80 HG23 THR 80 -6.609 18.602 -3.384 638 H GLU 81 HN GLU 81 -4.836 16.864 -2.518 639 HA GLU 81 HA GLU 81 -2.962 17.998 -2.611 640 1HB GLU 81 HB2 GLU 81 -2.099 15.875 -3.543 641 2HB GLU 81 HB1 GLU 81 -2.421 16.466 -5.167 642 1HG GLU 81 HG2 GLU 81 -0.798 18.258 -4.843 643 2HG GLU 81 HG1 GLU 81 -0.491 17.688 -3.204 644 H LEU 82 HN LEU 82 -3.763 20.002 -2.789 645 HA LEU 82 HA LEU 82 -4.391 21.130 -5.339 646 1HB LEU 82 HB2 LEU 82 -4.005 22.443 -2.640 647 2HB LEU 82 HB1 LEU 82 -4.593 23.258 -4.072 648 HG LEU 82 HG LEU 82 -6.004 21.020 -2.614 649 1HD1 LEU 82 HD11 LEU 82 -7.625 22.746 -2.015 650 2HD1 LEU 82 HD12 LEU 82 -6.614 23.966 -2.794 651 3HD1 LEU 82 HD13 LEU 82 -6.023 23.107 -1.372 652 1HD2 LEU 82 HD21 LEU 82 -6.457 20.962 -5.015 653 2HD2 LEU 82 HD22 LEU 82 -6.886 22.673 -4.986 654 3HD2 LEU 82 HD23 LEU 82 -7.879 21.500 -4.120 655 H ALA 83 HN ALA 83 -3.266 22.841 -6.286 656 HA ALA 83 HA ALA 83 -1.543 23.877 -7.172 657 1HB ALA 83 HB1 ALA 83 0.528 24.354 -5.984 658 2HB ALA 83 HB2 ALA 83 0.147 23.134 -4.768 659 3HB ALA 83 HB3 ALA 83 -0.840 24.590 -4.894 660 H ALA 84 HN ALA 84 -1.302 22.860 -8.877 661 HA ALA 84 HA ALA 84 0.781 20.856 -9.173 662 1HB ALA 84 HB1 ALA 84 -2.031 20.797 -10.350 663 2HB ALA 84 HB2 ALA 84 -1.352 19.607 -9.236 664 3HB ALA 84 HB3 ALA 84 -0.711 19.750 -10.876 665 HA PRO 85 HA PRO 85 2.144 23.638 -12.360 666 1HB PRO 85 HB2 PRO 85 1.556 21.622 -14.482 667 2HB PRO 85 HB1 PRO 85 3.036 22.546 -14.189 668 1HG PRO 85 HG2 PRO 85 2.909 19.995 -13.494 669 2HG PRO 85 HG1 PRO 85 3.703 21.178 -12.434 670 1HD PRO 85 HD2 PRO 85 1.021 19.887 -12.161 671 2HD PRO 85 HD1 PRO 85 2.200 20.316 -10.904 672 H LYS 86 HN LYS 86 0.518 25.085 -12.209 673 HA LYS 86 HA LYS 86 -1.413 25.140 -14.434 674 1HB LYS 86 HB2 LYS 86 -2.535 24.632 -12.278 675 2HB LYS 86 HB1 LYS 86 -1.845 26.089 -11.588 676 1HG LYS 86 HG2 LYS 86 -3.096 27.419 -13.261 677 2HG LYS 86 HG1 LYS 86 -3.845 25.924 -13.825 678 1HD LYS 86 HD2 LYS 86 -5.322 27.076 -12.278 679 2HD LYS 86 HD1 LYS 86 -4.760 25.557 -11.572 680 1HE LYS 86 HE2 LYS 86 -3.114 26.750 -10.247 681 2HE LYS 86 HE1 LYS 86 -3.574 28.271 -11.005 682 1HZ LYS 86 HZ1 LYS 86 -5.761 28.047 -10.043 683 2HZ LYS 86 HZ2 LYS 86 -4.567 28.040 -8.840 684 3HZ LYS 86 HZ3 LYS 86 -5.327 26.592 -9.289 685 H SER 87 HN SER 87 0.574 26.830 -12.084 686 HA SER 87 HA SER 87 0.422 29.293 -13.566 687 1HB SER 87 HB2 SER 87 0.416 29.244 -11.052 688 2HB SER 87 HB1 SER 87 2.024 28.528 -11.097 689 HG SER 87 HG SER 87 2.794 30.461 -11.288 690 H LYS 88 HN LYS 88 1.806 29.635 -15.168 691 HA LYS 88 HA LYS 88 3.858 27.831 -15.873 692 1HB LYS 88 HB2 LYS 88 3.448 30.692 -16.767 693 2HB LYS 88 HB1 LYS 88 4.547 29.548 -17.532 694 1HG LYS 88 HG2 LYS 88 2.655 28.097 -18.065 695 2HG LYS 88 HG1 LYS 88 1.558 29.254 -17.319 696 1HD LYS 88 HD2 LYS 88 2.214 30.935 -18.962 697 2HD LYS 88 HD1 LYS 88 3.326 29.781 -19.702 698 1HE LYS 88 HE2 LYS 88 0.337 29.445 -19.480 699 2HE LYS 88 HE1 LYS 88 1.210 29.931 -20.934 700 1HZ LYS 88 HZ1 LYS 88 1.548 27.304 -19.541 701 2HZ LYS 88 HZ2 LYS 88 2.330 27.776 -20.933 702 3HZ LYS 88 HZ3 LYS 88 0.675 27.548 -20.960 703 H ASN 89 HN ASN 89 3.916 30.915 -14.218 704 HA ASN 89 HA ASN 89 6.681 30.367 -13.511 705 1HB ASN 89 HB2 ASN 89 6.457 32.561 -14.523 706 2HB ASN 89 HB1 ASN 89 5.133 32.971 -13.435 707 1HD2 ASN 89 HD21 ASN 89 8.568 32.315 -13.609 708 2HD2 ASN 89 HD22 ASN 89 8.980 33.140 -12.152 Start of MODEL 5 1 1H GLY 1 HT1 GLY 1 1.019 2.848 14.346 2 2H GLY 1 HT2 GLY 1 1.454 1.740 15.541 3 3H GLY 1 HT3 GLY 1 -0.142 2.308 15.446 4 1HA GLY 1 HA1 GLY 1 1.271 0.656 13.434 5 2HA GLY 1 HA2 GLY 1 0.015 0.092 14.536 6 H ASP 2 HN ASP 2 -2.083 0.978 14.322 7 HA ASP 2 HA ASP 2 -2.741 1.470 11.547 8 1HB ASP 2 HB2 ASP 2 -5.050 1.143 12.151 9 2HB ASP 2 HB1 ASP 2 -4.112 -0.106 12.954 10 H GLY 3 HN GLY 3 -3.630 3.274 10.733 11 1HA GLY 3 HA2 GLY 3 -3.669 5.611 12.512 12 2HA GLY 3 HA1 GLY 3 -3.356 5.662 10.774 13 H GLU 4 HN GLU 4 -5.400 7.099 12.209 14 HA GLU 4 HA GLU 4 -7.768 5.784 11.164 15 1HB GLU 4 HB2 GLU 4 -8.993 7.633 12.410 16 2HB GLU 4 HB1 GLU 4 -8.149 6.455 13.399 17 1HG GLU 4 HG2 GLU 4 -6.294 8.047 13.652 18 2HG GLU 4 HG1 GLU 4 -7.225 9.231 12.730 19 H ALA 5 HN ALA 5 -9.263 7.035 9.875 20 HA ALA 5 HA ALA 5 -9.647 7.950 7.862 21 1HB ALA 5 HB1 ALA 5 -7.618 10.064 8.695 22 2HB ALA 5 HB2 ALA 5 -9.347 10.131 9.029 23 3HB ALA 5 HB3 ALA 5 -8.770 10.217 7.367 24 H GLN 6 HN GLN 6 -8.929 6.255 6.787 25 HA GLN 6 HA GLN 6 -6.347 5.374 6.484 26 1HB GLN 6 HB2 GLN 6 -8.516 4.157 5.966 27 2HB GLN 6 HB1 GLN 6 -8.456 4.940 4.386 28 1HG GLN 6 HG2 GLN 6 -7.491 2.802 4.150 29 2HG GLN 6 HG1 GLN 6 -6.172 3.976 4.109 30 1HE2 GLN 6 HE21 GLN 6 -4.571 2.750 4.870 31 2HE2 GLN 6 HE22 GLN 6 -4.536 2.000 6.424 32 H ARG 7 HN ARG 7 -4.700 5.864 5.291 33 HA ARG 7 HA ARG 7 -4.904 8.060 3.354 34 1HB ARG 7 HB2 ARG 7 -2.524 8.319 3.650 35 2HB ARG 7 HB1 ARG 7 -3.261 8.207 5.242 36 1HG ARG 7 HG2 ARG 7 -2.574 5.880 5.424 37 2HG ARG 7 HG1 ARG 7 -1.894 5.943 3.801 38 1HD ARG 7 HD2 ARG 7 -0.101 6.183 5.357 39 2HD ARG 7 HD1 ARG 7 -0.365 7.746 4.590 40 HE ARG 7 HE ARG 7 -1.850 7.590 6.963 41 1HH1 ARG 7 HH11 ARG 7 1.507 8.084 5.802 42 2HH1 ARG 7 HH12 ARG 7 2.061 8.711 7.274 43 1HH2 ARG 7 HH21 ARG 7 -1.027 8.485 9.007 44 2HH2 ARG 7 HH22 ARG 7 0.620 8.895 9.140 45 H ASP 8 HN ASP 8 -3.186 7.774 1.501 46 HA ASP 8 HA ASP 8 -3.649 5.196 0.213 47 1HB ASP 8 HB2 ASP 8 -1.801 7.413 -0.737 48 2HB ASP 8 HB1 ASP 8 -2.372 6.048 -1.664 49 H LEU 9 HN LEU 9 -1.896 3.747 -0.320 50 HA LEU 9 HA LEU 9 -0.055 3.665 1.854 51 1HB LEU 9 HB2 LEU 9 -0.168 1.850 -0.537 52 2HB LEU 9 HB1 LEU 9 0.779 1.585 0.906 53 HG LEU 9 HG LEU 9 -2.185 1.449 0.580 54 1HD1 LEU 9 HD11 LEU 9 -0.124 -0.491 1.564 55 2HD1 LEU 9 HD12 LEU 9 -0.950 -0.524 0.006 56 3HD1 LEU 9 HD13 LEU 9 -1.861 -0.787 1.495 57 1HD2 LEU 9 HD21 LEU 9 -2.362 1.091 2.990 58 2HD2 LEU 9 HD22 LEU 9 -1.762 2.707 2.624 59 3HD2 LEU 9 HD23 LEU 9 -0.647 1.455 3.173 60 H VAL 10 HN VAL 10 0.077 5.117 -1.138 61 HA VAL 10 HA VAL 10 2.904 4.958 -1.440 62 HB VAL 10 HB VAL 10 0.918 6.914 -2.662 63 1HG1 VAL 10 HG11 VAL 10 3.169 7.884 -2.630 64 2HG1 VAL 10 HG12 VAL 10 2.689 7.456 -4.275 65 3HG1 VAL 10 HG13 VAL 10 3.812 6.428 -3.384 66 1HG2 VAL 10 HG21 VAL 10 1.194 5.552 -4.672 67 2HG2 VAL 10 HG22 VAL 10 0.577 4.597 -3.322 68 3HG2 VAL 10 HG23 VAL 10 2.269 4.469 -3.790 69 H LYS 11 HN LYS 11 0.695 7.064 0.264 70 HA LYS 11 HA LYS 11 2.864 8.815 1.072 71 1HB LYS 11 HB2 LYS 11 -0.042 8.716 1.781 72 2HB LYS 11 HB1 LYS 11 1.051 9.870 2.535 73 1HG LYS 11 HG2 LYS 11 -0.010 11.133 0.887 74 2HG LYS 11 HG1 LYS 11 1.473 10.643 0.077 75 1HD LYS 11 HD2 LYS 11 0.284 8.900 -1.121 76 2HD LYS 11 HD1 LYS 11 -1.175 9.244 -0.174 77 1HE LYS 11 HE2 LYS 11 -1.246 11.510 -1.135 78 2HE LYS 11 HE1 LYS 11 0.157 11.120 -2.127 79 1HZ LYS 11 HZ1 LYS 11 -1.133 9.447 -3.280 80 2HZ LYS 11 HZ2 LYS 11 -1.975 10.890 -3.338 81 3HZ LYS 11 HZ3 LYS 11 -2.454 9.685 -2.265 82 H ALA 12 HN ALA 12 2.628 5.900 1.730 83 HA ALA 12 HA ALA 12 3.142 6.144 4.605 84 1HB ALA 12 HB1 ALA 12 1.612 3.891 3.293 85 2HB ALA 12 HB2 ALA 12 0.919 5.149 4.315 86 3HB ALA 12 HB3 ALA 12 2.052 3.984 4.999 87 H VAL 13 HN VAL 13 3.345 3.737 1.971 88 HA VAL 13 HA VAL 13 5.762 2.607 3.007 89 HB VAL 13 HB VAL 13 4.317 2.151 0.379 90 1HG1 VAL 13 HG11 VAL 13 6.558 0.557 1.629 91 2HG1 VAL 13 HG12 VAL 13 6.660 1.553 0.174 92 3HG1 VAL 13 HG13 VAL 13 5.654 0.102 0.181 93 1HG2 VAL 13 HG21 VAL 13 4.337 0.543 2.934 94 2HG2 VAL 13 HG22 VAL 13 3.528 0.080 1.438 95 3HG2 VAL 13 HG23 VAL 13 2.994 1.509 2.320 96 H ALA 14 HN ALA 14 4.913 4.454 0.082 97 HA ALA 14 HA ALA 14 7.572 4.690 -0.829 98 1HB ALA 14 HB1 ALA 14 6.680 6.399 -2.400 99 2HB ALA 14 HB2 ALA 14 5.184 6.459 -1.458 100 3HB ALA 14 HB3 ALA 14 5.607 4.999 -2.319 101 H HIS 15 HN HIS 15 5.680 6.401 1.415 102 HA HIS 15 HA HIS 15 7.058 8.799 1.844 103 1HB HIS 15 HB2 HIS 15 4.865 8.321 2.809 104 2HB HIS 15 HB1 HIS 15 5.533 7.024 3.768 105 HD1 HIS 15 HD1 HIS 15 4.878 10.655 3.788 106 HD2 HIS 15 HD2 HIS 15 7.071 7.936 6.044 107 HE1 HIS 15 HE1 HIS 15 5.338 11.789 5.962 108 HE2 HIS 15 HE2 HIS 15 6.400 10.027 7.390 109 H ILE 16 HN ILE 16 7.883 5.529 2.760 110 HA ILE 16 HA ILE 16 9.848 6.284 4.720 111 HB ILE 16 HB ILE 16 9.394 3.621 3.326 112 1HG1 ILE 16 HG12 ILE 16 7.447 4.268 4.631 113 2HG1 ILE 16 HG11 ILE 16 8.285 2.945 5.430 114 1HG2 ILE 16 HG21 ILE 16 10.698 2.614 5.147 115 2HG2 ILE 16 HG22 ILE 16 11.040 4.224 5.785 116 3HG2 ILE 16 HG23 ILE 16 11.659 3.753 4.202 117 1HD1 ILE 16 HD11 ILE 16 9.285 4.537 6.993 118 2HD1 ILE 16 HD12 ILE 16 7.525 4.596 7.030 119 3HD1 ILE 16 HD13 ILE 16 8.432 5.856 6.190 120 H LEU 17 HN LEU 17 9.765 5.494 1.335 121 HA LEU 17 HA LEU 17 12.630 5.326 1.033 122 1HB LEU 17 HB2 LEU 17 10.477 5.526 -1.065 123 2HB LEU 17 HB1 LEU 17 12.145 5.068 -1.335 124 HG LEU 17 HG LEU 17 10.138 3.498 0.264 125 1HD1 LEU 17 HD11 LEU 17 10.242 1.906 -1.583 126 2HD1 LEU 17 HD12 LEU 17 11.290 3.015 -2.470 127 3HD1 LEU 17 HD13 LEU 17 9.629 3.477 -2.096 128 1HD2 LEU 17 HD21 LEU 17 12.970 2.819 -0.541 129 2HD2 LEU 17 HD22 LEU 17 11.845 1.729 0.267 130 3HD2 LEU 17 HD23 LEU 17 12.417 3.179 1.094 131 H GLY 18 HN GLY 18 10.146 7.695 0.651 132 1HA GLY 18 HA2 GLY 18 10.749 10.045 0.877 133 2HA GLY 18 HA1 GLY 18 12.200 9.697 -0.054 134 H ILE 19 HN ILE 19 9.058 8.392 -0.877 135 HA ILE 19 HA ILE 19 8.910 10.240 -3.088 136 HB ILE 19 HB ILE 19 7.958 8.168 -4.330 137 1HG1 ILE 19 HG12 ILE 19 9.940 6.873 -2.451 138 2HG1 ILE 19 HG11 ILE 19 8.216 6.541 -2.559 139 1HG2 ILE 19 HG21 ILE 19 10.885 8.776 -4.071 140 2HG2 ILE 19 HG22 ILE 19 9.696 9.517 -5.163 141 3HG2 ILE 19 HG23 ILE 19 10.161 7.826 -5.380 142 1HD1 ILE 19 HD11 ILE 19 9.521 4.789 -3.616 143 2HD1 ILE 19 HD12 ILE 19 10.270 5.970 -4.689 144 3HD1 ILE 19 HD13 ILE 19 8.542 5.637 -4.812 145 H ARG 20 HN ARG 20 6.867 10.182 -4.156 146 HA ARG 20 HA ARG 20 4.516 9.148 -2.924 147 1HB ARG 20 HB2 ARG 20 4.963 10.969 -1.323 148 2HB ARG 20 HB1 ARG 20 5.091 12.110 -2.652 149 1HG ARG 20 HG2 ARG 20 2.695 11.498 -3.220 150 2HG ARG 20 HG1 ARG 20 2.637 10.703 -1.644 151 1HD ARG 20 HD2 ARG 20 1.788 12.999 -1.532 152 2HD ARG 20 HD1 ARG 20 3.244 12.794 -0.550 153 HE ARG 20 HE ARG 20 3.719 13.689 -3.241 154 1HH1 ARG 20 HH11 ARG 20 2.938 14.843 0.005 155 2HH1 ARG 20 HH12 ARG 20 3.761 16.320 -0.172 156 1HH2 ARG 20 HH21 ARG 20 4.920 15.622 -3.472 157 2HH2 ARG 20 HH22 ARG 20 5.010 16.742 -2.169 158 H ASP 21 HN ASP 21 5.919 11.772 -4.793 159 HA ASP 21 HA ASP 21 3.665 11.934 -6.523 160 1HB ASP 21 HB2 ASP 21 6.348 13.303 -6.741 161 2HB ASP 21 HB1 ASP 21 4.956 13.643 -7.767 162 H LEU 22 HN LEU 22 6.864 10.547 -6.812 163 HA LEU 22 HA LEU 22 7.693 8.957 -8.232 164 1HB LEU 22 HB2 LEU 22 4.745 8.449 -8.522 165 2HB LEU 22 HB1 LEU 22 5.881 7.585 -9.523 166 HG LEU 22 HG LEU 22 5.141 6.249 -7.626 167 1HD1 LEU 22 HD11 LEU 22 7.318 5.577 -6.770 168 2HD1 LEU 22 HD12 LEU 22 8.018 7.047 -7.462 169 3HD1 LEU 22 HD13 LEU 22 7.312 5.829 -8.517 170 1HD2 LEU 22 HD21 LEU 22 4.719 8.005 -5.997 171 2HD2 LEU 22 HD22 LEU 22 6.446 8.340 -5.894 172 3HD2 LEU 22 HD23 LEU 22 5.813 6.789 -5.340 173 H ALA 23 HN ALA 23 7.371 11.661 -9.212 174 HA ALA 23 HA ALA 23 6.368 11.486 -11.893 175 1HB ALA 23 HB1 ALA 23 6.929 13.850 -12.061 176 2HB ALA 23 HB2 ALA 23 7.804 13.764 -10.533 177 3HB ALA 23 HB3 ALA 23 6.056 13.515 -10.568 178 H GLY 24 HN GLY 24 9.105 10.412 -10.625 179 1HA GLY 24 HA2 GLY 24 10.337 10.115 -13.166 180 2HA GLY 24 HA1 GLY 24 11.252 11.221 -12.133 181 H ILE 25 HN ILE 25 9.394 8.346 -11.362 182 HA ILE 25 HA ILE 25 11.828 7.049 -10.356 183 HB ILE 25 HB ILE 25 9.105 7.008 -9.002 184 1HG1 ILE 25 HG12 ILE 25 10.207 9.250 -8.791 185 2HG1 ILE 25 HG11 ILE 25 9.942 8.437 -7.255 186 1HG2 ILE 25 HG21 ILE 25 10.265 5.927 -7.122 187 2HG2 ILE 25 HG22 ILE 25 11.761 5.930 -8.059 188 3HG2 ILE 25 HG23 ILE 25 10.379 4.983 -8.609 189 1HD1 ILE 25 HD11 ILE 25 12.561 8.606 -8.740 190 2HD1 ILE 25 HD12 ILE 25 12.276 7.806 -7.184 191 3HD1 ILE 25 HD13 ILE 25 12.089 9.550 -7.318 192 H ASN 26 HN ASN 26 11.749 4.804 -10.682 193 HA ASN 26 HA ASN 26 10.085 3.792 -12.745 194 1HB ASN 26 HB2 ASN 26 11.974 2.451 -10.828 195 2HB ASN 26 HB1 ASN 26 10.972 1.510 -11.918 196 1HD2 ASN 26 HD21 ASN 26 11.486 1.429 -14.057 197 2HD2 ASN 26 HD22 ASN 26 12.951 2.082 -14.702 198 H LEU 27 HN LEU 27 8.201 2.842 -12.725 199 HA LEU 27 HA LEU 27 6.808 2.394 -10.152 200 1HB LEU 27 HB2 LEU 27 5.669 2.433 -12.951 201 2HB LEU 27 HB1 LEU 27 4.777 2.504 -11.447 202 HG LEU 27 HG LEU 27 6.535 4.673 -12.584 203 1HD1 LEU 27 HD11 LEU 27 3.551 4.500 -12.262 204 2HD1 LEU 27 HD12 LEU 27 4.447 4.419 -13.778 205 3HD1 LEU 27 HD13 LEU 27 4.447 5.908 -12.828 206 1HD2 LEU 27 HD21 LEU 27 4.855 4.662 -10.079 207 2HD2 LEU 27 HD22 LEU 27 5.723 6.050 -10.738 208 3HD2 LEU 27 HD23 LEU 27 6.617 4.651 -10.142 209 H ASP 28 HN ASP 28 8.697 0.825 -12.122 210 HA ASP 28 HA ASP 28 7.194 -1.697 -12.105 211 1HB ASP 28 HB2 ASP 28 8.629 -2.419 -13.953 212 2HB ASP 28 HB1 ASP 28 7.810 -0.917 -14.356 213 H SER 29 HN SER 29 9.225 -0.143 -10.247 214 HA SER 29 HA SER 29 11.089 -2.309 -9.828 215 1HB SER 29 HB2 SER 29 10.880 0.443 -8.615 216 2HB SER 29 HB1 SER 29 12.119 -0.731 -8.172 217 HG SER 29 HG SER 29 12.625 -0.795 -10.461 218 H SER 30 HN SER 30 10.909 -3.697 -8.283 219 HA SER 30 HA SER 30 8.483 -3.853 -6.763 220 1HB SER 30 HB2 SER 30 10.938 -5.557 -7.055 221 2HB SER 30 HB1 SER 30 9.541 -6.050 -6.123 222 HG SER 30 HG SER 30 9.810 -5.601 -8.907 223 H LEU 31 HN LEU 31 8.600 -4.136 -4.403 224 HA LEU 31 HA LEU 31 10.321 -2.310 -3.134 225 1HB LEU 31 HB2 LEU 31 8.701 -4.549 -1.884 226 2HB LEU 31 HB1 LEU 31 9.472 -3.259 -0.984 227 HG LEU 31 HG LEU 31 7.203 -2.933 -2.959 228 1HD1 LEU 31 HD11 LEU 31 7.270 -2.659 0.034 229 2HD1 LEU 31 HD12 LEU 31 6.495 -3.956 -0.878 230 3HD1 LEU 31 HD13 LEU 31 5.895 -2.303 -1.008 231 1HD2 LEU 31 HD21 LEU 31 8.572 -0.910 -1.214 232 2HD2 LEU 31 HD22 LEU 31 7.127 -0.630 -2.196 233 3HD2 LEU 31 HD23 LEU 31 8.670 -1.009 -2.974 234 H ALA 32 HN ALA 32 10.739 -5.613 -3.958 235 HA ALA 32 HA ALA 32 12.936 -6.212 -2.291 236 1HB ALA 32 HB1 ALA 32 11.796 -7.946 -3.596 237 2HB ALA 32 HB2 ALA 32 13.515 -7.912 -3.979 238 3HB ALA 32 HB3 ALA 32 12.350 -7.194 -5.092 239 H ASP 33 HN ASP 33 12.571 -4.445 -5.294 240 HA ASP 33 HA ASP 33 15.325 -4.194 -5.867 241 1HB ASP 33 HB2 ASP 33 12.955 -2.577 -6.845 242 2HB ASP 33 HB1 ASP 33 14.593 -2.303 -7.398 243 H LEU 34 HN LEU 34 13.007 -2.538 -3.911 244 HA LEU 34 HA LEU 34 14.702 -0.221 -3.601 245 1HB LEU 34 HB2 LEU 34 12.060 -0.836 -2.260 246 2HB LEU 34 HB1 LEU 34 12.973 0.632 -2.002 247 HG LEU 34 HG LEU 34 11.747 1.566 -3.609 248 1HD1 LEU 34 HD11 LEU 34 13.685 1.189 -4.991 249 2HD1 LEU 34 HD12 LEU 34 12.177 1.127 -5.931 250 3HD1 LEU 34 HD13 LEU 34 12.985 -0.373 -5.451 251 1HD2 LEU 34 HD21 LEU 34 10.820 -1.166 -4.415 252 2HD2 LEU 34 HD22 LEU 34 10.144 0.360 -4.990 253 3HD2 LEU 34 HD23 LEU 34 10.024 -0.075 -3.284 254 H GLY 35 HN GLY 35 14.583 -3.209 -2.236 255 1HA GLY 35 HA2 GLY 35 16.300 -3.921 -0.790 256 2HA GLY 35 HA1 GLY 35 16.444 -2.281 -0.197 257 H LEU 36 HN LEU 36 13.300 -3.772 -0.364 258 HA LEU 36 HA LEU 36 13.034 -3.550 2.462 259 1HB LEU 36 HB2 LEU 36 11.123 -3.068 1.138 260 2HB LEU 36 HB1 LEU 36 11.152 -4.566 0.297 261 HG LEU 36 HG LEU 36 10.425 -4.306 3.220 262 1HD1 LEU 36 HD11 LEU 36 8.125 -4.424 2.431 263 2HD1 LEU 36 HD12 LEU 36 8.706 -4.446 0.766 264 3HD1 LEU 36 HD13 LEU 36 8.947 -3.009 1.765 265 1HD2 LEU 36 HD21 LEU 36 9.878 -6.506 1.211 266 2HD2 LEU 36 HD22 LEU 36 9.342 -6.476 2.893 267 3HD2 LEU 36 HD23 LEU 36 11.061 -6.598 2.515 268 H ASP 37 HN ASP 37 13.889 -4.864 3.836 269 HA ASP 37 HA ASP 37 13.631 -7.750 3.382 270 1HB ASP 37 HB2 ASP 37 15.872 -8.267 4.049 271 2HB ASP 37 HB1 ASP 37 15.996 -7.022 2.818 272 H SER 38 HN SER 38 14.256 -5.168 5.772 273 HA SER 38 HA SER 38 13.251 -7.049 7.745 274 1HB SER 38 HB2 SER 38 14.725 -5.550 9.324 275 2HB SER 38 HB1 SER 38 15.413 -6.891 8.399 276 HG SER 38 HG SER 38 16.262 -5.549 6.981 277 H LEU 39 HN LEU 39 13.888 -3.590 8.271 278 HA LEU 39 HA LEU 39 11.476 -3.259 9.709 279 1HB LEU 39 HB2 LEU 39 13.407 -1.730 9.946 280 2HB LEU 39 HB1 LEU 39 13.081 -1.100 8.340 281 HG LEU 39 HG LEU 39 10.771 -0.519 9.213 282 1HD1 LEU 39 HD11 LEU 39 10.757 -1.843 11.205 283 2HD1 LEU 39 HD12 LEU 39 10.565 -0.138 11.612 284 3HD1 LEU 39 HD13 LEU 39 12.117 -0.933 11.861 285 1HD2 LEU 39 HD21 LEU 39 12.448 1.132 8.724 286 2HD2 LEU 39 HD22 LEU 39 13.143 0.952 10.350 287 3HD2 LEU 39 HD23 LEU 39 11.492 1.572 10.136 288 H MET 40 HN MET 40 12.357 -2.707 6.428 289 HA MET 40 HA MET 40 9.994 -1.410 5.505 290 1HB MET 40 HB2 MET 40 11.984 -3.119 4.037 291 2HB MET 40 HB1 MET 40 10.726 -2.127 3.308 292 1HG MET 40 HG2 MET 40 11.742 -0.120 4.213 293 2HG MET 40 HG1 MET 40 12.997 -1.089 4.983 294 1HE MET 40 HE1 MET 40 14.925 0.726 2.094 295 2HE MET 40 HE2 MET 40 14.866 0.415 3.830 296 3HE MET 40 HE3 MET 40 13.608 1.384 3.063 297 H GLY 41 HN GLY 41 10.677 -4.758 6.160 298 1HA GLY 41 HA2 GLY 41 8.238 -5.566 4.816 299 2HA GLY 41 HA1 GLY 41 9.351 -6.607 5.699 300 H VAL 42 HN VAL 42 9.130 -4.374 7.858 301 HA VAL 42 HA VAL 42 6.924 -5.695 9.239 302 HB VAL 42 HB VAL 42 8.985 -3.754 10.344 303 1HG1 VAL 42 HG11 VAL 42 6.921 -3.698 11.629 304 2HG1 VAL 42 HG12 VAL 42 8.204 -4.476 12.558 305 3HG1 VAL 42 HG13 VAL 42 6.954 -5.453 11.789 306 1HG2 VAL 42 HG21 VAL 42 8.821 -6.751 10.618 307 2HG2 VAL 42 HG22 VAL 42 9.982 -5.708 11.440 308 3HG2 VAL 42 HG23 VAL 42 10.018 -5.856 9.682 309 H GLU 43 HN GLU 43 7.968 -2.351 8.473 310 HA GLU 43 HA GLU 43 5.677 -1.361 9.730 311 1HB GLU 43 HB2 GLU 43 7.727 0.025 9.348 312 2HB GLU 43 HB1 GLU 43 7.219 0.208 7.667 313 1HG GLU 43 HG2 GLU 43 5.250 1.357 8.267 314 2HG GLU 43 HG1 GLU 43 5.428 0.927 9.962 315 H VAL 44 HN VAL 44 6.224 -2.416 6.488 316 HA VAL 44 HA VAL 44 3.833 -1.405 5.308 317 HB VAL 44 HB VAL 44 5.440 -3.912 4.648 318 1HG1 VAL 44 HG11 VAL 44 4.260 -3.933 2.507 319 2HG1 VAL 44 HG12 VAL 44 3.242 -2.593 3.055 320 3HG1 VAL 44 HG13 VAL 44 3.150 -4.163 3.862 321 1HG2 VAL 44 HG21 VAL 44 6.250 -2.595 2.768 322 2HG2 VAL 44 HG22 VAL 44 6.653 -1.866 4.321 323 3HG2 VAL 44 HG23 VAL 44 5.334 -1.197 3.346 324 H ARG 45 HN ARG 45 4.564 -4.243 7.196 325 HA ARG 45 HA ARG 45 1.922 -5.245 6.978 326 1HB ARG 45 HB2 ARG 45 4.281 -6.017 8.630 327 2HB ARG 45 HB1 ARG 45 2.721 -6.753 8.937 328 1HG ARG 45 HG2 ARG 45 2.660 -7.438 6.541 329 2HG ARG 45 HG1 ARG 45 4.302 -6.816 6.376 330 1HD ARG 45 HD2 ARG 45 3.441 -8.945 8.315 331 2HD ARG 45 HD1 ARG 45 4.208 -9.249 6.757 332 HE ARG 45 HE ARG 45 6.082 -7.876 7.649 333 1HH1 ARG 45 HH11 ARG 45 3.875 -9.430 9.985 334 2HH1 ARG 45 HH12 ARG 45 5.104 -9.946 11.042 335 1HH2 ARG 45 HH21 ARG 45 7.840 -8.633 9.133 336 2HH2 ARG 45 HH22 ARG 45 7.426 -9.465 10.536 337 H GLN 46 HN GLN 46 3.504 -3.047 9.123 338 HA GLN 46 HA GLN 46 1.451 -3.163 11.078 339 1HB GLN 46 HB2 GLN 46 3.346 -0.881 10.416 340 2HB GLN 46 HB1 GLN 46 2.323 -0.934 11.842 341 1HG GLN 46 HG2 GLN 46 3.540 -2.824 12.696 342 2HG GLN 46 HG1 GLN 46 4.489 -2.924 11.211 343 1HE2 GLN 46 HE21 GLN 46 3.971 -1.137 14.180 344 2HE2 GLN 46 HE22 GLN 46 5.425 -0.208 14.047 345 H ILE 47 HN ILE 47 1.588 -1.919 7.995 346 HA ILE 47 HA ILE 47 -0.717 -0.177 8.334 347 HB ILE 47 HB ILE 47 0.896 -0.881 5.860 348 1HG1 ILE 47 HG12 ILE 47 0.951 1.633 7.518 349 2HG1 ILE 47 HG11 ILE 47 2.126 0.316 7.631 350 1HG2 ILE 47 HG21 ILE 47 -1.365 -0.184 5.318 351 2HG2 ILE 47 HG22 ILE 47 -0.197 1.051 4.843 352 3HG2 ILE 47 HG23 ILE 47 -1.166 1.264 6.302 353 1HD1 ILE 47 HD11 ILE 47 2.976 2.176 6.297 354 2HD1 ILE 47 HD12 ILE 47 1.612 2.007 5.193 355 3HD1 ILE 47 HD13 ILE 47 2.802 0.711 5.331 356 H LEU 48 HN LEU 48 0.239 -2.920 6.265 357 HA LEU 48 HA LEU 48 -2.466 -3.359 5.506 358 1HB LEU 48 HB2 LEU 48 0.025 -4.955 4.970 359 2HB LEU 48 HB1 LEU 48 -1.552 -5.513 4.463 360 HG LEU 48 HG LEU 48 -0.544 -4.527 2.576 361 1HD1 LEU 48 HD11 LEU 48 -2.025 -2.676 2.031 362 2HD1 LEU 48 HD12 LEU 48 -2.435 -2.525 3.737 363 3HD1 LEU 48 HD13 LEU 48 -2.889 -3.989 2.851 364 1HD2 LEU 48 HD21 LEU 48 1.208 -3.224 3.649 365 2HD2 LEU 48 HD22 LEU 48 0.011 -2.067 4.230 366 3HD2 LEU 48 HD23 LEU 48 0.312 -2.230 2.499 367 H GLU 49 HN GLU 49 -0.280 -5.244 7.510 368 HA GLU 49 HA GLU 49 -2.168 -7.247 8.198 369 1HB GLU 49 HB2 GLU 49 0.192 -7.720 8.161 370 2HB GLU 49 HB1 GLU 49 0.519 -6.444 9.308 371 1HG GLU 49 HG2 GLU 49 -0.919 -7.856 10.918 372 2HG GLU 49 HG1 GLU 49 -0.639 -9.157 9.759 373 H ARG 50 HN ARG 50 -1.122 -4.283 9.686 374 HA ARG 50 HA ARG 50 -2.540 -5.002 12.117 375 1HB ARG 50 HB2 ARG 50 -0.160 -4.208 12.004 376 2HB ARG 50 HB1 ARG 50 -0.815 -2.609 11.693 377 1HG ARG 50 HG2 ARG 50 -1.595 -2.388 13.854 378 2HG ARG 50 HG1 ARG 50 -1.691 -4.141 14.107 379 1HD ARG 50 HD2 ARG 50 0.824 -2.486 13.886 380 2HD ARG 50 HD1 ARG 50 0.210 -3.284 15.339 381 HE ARG 50 HE ARG 50 0.397 -5.285 13.511 382 1HH1 ARG 50 HH11 ARG 50 2.772 -3.096 15.007 383 2HH1 ARG 50 HH12 ARG 50 4.115 -4.064 14.625 384 1HH2 ARG 50 HH21 ARG 50 2.263 -6.608 12.921 385 2HH2 ARG 50 HH22 ARG 50 3.810 -6.132 13.439 386 H GLU 51 HN GLU 51 -3.014 -2.761 9.462 387 HA GLU 51 HA GLU 51 -5.156 -1.446 11.035 388 1HB GLU 51 HB2 GLU 51 -4.437 -0.829 8.184 389 2HB GLU 51 HB1 GLU 51 -5.394 0.132 9.284 390 1HG GLU 51 HG2 GLU 51 -3.373 0.595 10.578 391 2HG GLU 51 HG1 GLU 51 -2.443 -0.331 9.390 392 H HIS 52 HN HIS 52 -4.625 -2.804 7.877 393 HA HIS 52 HA HIS 52 -7.434 -2.772 7.174 394 1HB HIS 52 HB2 HIS 52 -5.079 -3.848 5.623 395 2HB HIS 52 HB1 HIS 52 -6.704 -3.545 5.040 396 HD1 HIS 52 HD1 HIS 52 -3.538 -1.721 5.952 397 HD2 HIS 52 HD2 HIS 52 -7.285 -1.017 4.299 398 HE1 HIS 52 HE1 HIS 52 -3.298 0.350 4.642 399 HE2 HIS 52 HE2 HIS 52 -5.450 0.462 3.342 400 H ASP 53 HN ASP 53 -5.401 -4.955 8.668 401 HA ASP 53 HA ASP 53 -5.219 -7.125 8.992 402 1HB ASP 53 HB2 ASP 53 -7.485 -6.930 9.969 403 2HB ASP 53 HB1 ASP 53 -8.185 -7.246 8.382 404 H LEU 54 HN LEU 54 -4.081 -6.648 6.907 405 HA LEU 54 HA LEU 54 -4.720 -8.898 5.129 406 1HB LEU 54 HB2 LEU 54 -3.609 -6.191 4.412 407 2HB LEU 54 HB1 LEU 54 -3.149 -7.591 3.481 408 HG LEU 54 HG LEU 54 -5.572 -7.929 2.939 409 1HD1 LEU 54 HD11 LEU 54 -6.569 -6.704 4.771 410 2HD1 LEU 54 HD12 LEU 54 -7.095 -6.066 3.213 411 3HD1 LEU 54 HD13 LEU 54 -5.877 -5.205 4.157 412 1HD2 LEU 54 HD21 LEU 54 -4.041 -6.907 1.377 413 2HD2 LEU 54 HD22 LEU 54 -4.314 -5.326 2.113 414 3HD2 LEU 54 HD23 LEU 54 -5.630 -6.150 1.274 415 H VAL 55 HN VAL 55 -3.448 -10.401 6.007 416 HA VAL 55 HA VAL 55 -0.780 -9.653 6.791 417 HB VAL 55 HB VAL 55 -2.011 -12.438 6.750 418 1HG1 VAL 55 HG11 VAL 55 -0.107 -13.082 8.180 419 2HG1 VAL 55 HG12 VAL 55 0.561 -11.461 8.022 420 3HG1 VAL 55 HG13 VAL 55 0.442 -12.503 6.609 421 1HG2 VAL 55 HG21 VAL 55 -1.594 -10.518 9.043 422 2HG2 VAL 55 HG22 VAL 55 -2.184 -12.174 9.186 423 3HG2 VAL 55 HG23 VAL 55 -3.142 -10.966 8.329 424 H LEU 56 HN LEU 56 -0.090 -8.908 4.926 425 HA LEU 56 HA LEU 56 0.420 -10.790 2.760 426 1HB LEU 56 HB2 LEU 56 0.986 -7.825 2.968 427 2HB LEU 56 HB1 LEU 56 1.208 -8.810 1.543 428 HG LEU 56 HG LEU 56 -1.459 -8.180 2.810 429 1HD1 LEU 56 HD11 LEU 56 -0.160 -7.128 0.302 430 2HD1 LEU 56 HD12 LEU 56 -0.448 -6.223 1.789 431 3HD1 LEU 56 HD13 LEU 56 -1.811 -6.795 0.822 432 1HD2 LEU 56 HD21 LEU 56 -2.406 -9.177 0.791 433 2HD2 LEU 56 HD22 LEU 56 -1.429 -10.353 1.673 434 3HD2 LEU 56 HD23 LEU 56 -0.787 -9.581 0.223 435 HA PRO 57 HA PRO 57 4.288 -11.156 5.043 436 1HB PRO 57 HB2 PRO 57 4.779 -13.293 3.077 437 2HB PRO 57 HB1 PRO 57 4.715 -13.396 4.840 438 1HG PRO 57 HG2 PRO 57 2.775 -14.446 3.331 439 2HG PRO 57 HG1 PRO 57 2.404 -13.640 4.870 440 1HD PRO 57 HD2 PRO 57 2.212 -12.569 2.080 441 2HD PRO 57 HD1 PRO 57 1.025 -12.466 3.407 442 H ILE 58 HN ILE 58 6.578 -11.236 4.289 443 HA ILE 58 HA ILE 58 7.119 -9.134 2.508 444 HB ILE 58 HB ILE 58 8.867 -11.188 3.874 445 1HG1 ILE 58 HG12 ILE 58 9.868 -9.146 4.947 446 2HG1 ILE 58 HG11 ILE 58 8.664 -8.192 4.100 447 1HG2 ILE 58 HG21 ILE 58 9.989 -10.876 1.774 448 2HG2 ILE 58 HG22 ILE 58 10.903 -10.112 3.077 449 3HG2 ILE 58 HG23 ILE 58 9.940 -9.125 1.977 450 1HD1 ILE 58 HD11 ILE 58 6.895 -9.349 5.338 451 2HD1 ILE 58 HD12 ILE 58 8.047 -8.572 6.426 452 3HD1 ILE 58 HD13 ILE 58 8.113 -10.316 6.168 453 H ARG 59 HN ARG 59 6.734 -12.445 2.042 454 HA ARG 59 HA ARG 59 8.097 -12.745 -0.433 455 1HB ARG 59 HB2 ARG 59 5.752 -14.429 0.493 456 2HB ARG 59 HB1 ARG 59 6.902 -14.847 -0.760 457 1HG ARG 59 HG2 ARG 59 7.685 -16.108 0.980 458 2HG ARG 59 HG1 ARG 59 8.631 -14.636 1.213 459 1HD ARG 59 HD2 ARG 59 6.871 -13.874 2.846 460 2HD ARG 59 HD1 ARG 59 6.113 -15.439 2.660 461 HE ARG 59 HE ARG 59 8.879 -15.412 3.474 462 1HH1 ARG 59 HH11 ARG 59 5.503 -16.042 4.286 463 2HH1 ARG 59 HH12 ARG 59 5.776 -16.237 5.961 464 1HH2 ARG 59 HH21 ARG 59 9.278 -15.756 5.787 465 2HH2 ARG 59 HH22 ARG 59 7.988 -16.045 6.866 466 H GLU 60 HN GLU 60 4.984 -11.479 0.417 467 HA GLU 60 HA GLU 60 4.129 -11.375 -2.407 468 1HB GLU 60 HB2 GLU 60 2.639 -10.514 0.087 469 2HB GLU 60 HB1 GLU 60 1.981 -10.645 -1.531 470 1HG GLU 60 HG2 GLU 60 2.915 -12.908 0.209 471 2HG GLU 60 HG1 GLU 60 1.246 -12.467 -0.140 472 H VAL 61 HN VAL 61 5.003 -9.456 0.354 473 HA VAL 61 HA VAL 61 4.329 -6.954 -0.721 474 HB VAL 61 HB VAL 61 6.229 -7.658 1.540 475 1HG1 VAL 61 HG11 VAL 61 6.749 -5.437 0.672 476 2HG1 VAL 61 HG12 VAL 61 6.001 -5.343 2.266 477 3HG1 VAL 61 HG13 VAL 61 5.051 -4.983 0.821 478 1HG2 VAL 61 HG21 VAL 61 3.378 -6.699 1.545 479 2HG2 VAL 61 HG22 VAL 61 4.376 -6.972 2.973 480 3HG2 VAL 61 HG23 VAL 61 3.935 -8.328 1.933 481 H ARG 62 HN ARG 62 7.272 -8.848 -0.936 482 HA ARG 62 HA ARG 62 8.899 -6.758 -1.754 483 1HB ARG 62 HB2 ARG 62 9.164 -9.677 -1.871 484 2HB ARG 62 HB1 ARG 62 10.225 -8.749 -2.916 485 1HG ARG 62 HG2 ARG 62 10.923 -7.439 -0.931 486 2HG ARG 62 HG1 ARG 62 9.952 -8.522 0.066 487 1HD ARG 62 HD2 ARG 62 11.274 -10.413 -0.559 488 2HD ARG 62 HD1 ARG 62 12.134 -9.453 -1.769 489 HE ARG 62 HE ARG 62 12.647 -8.130 0.512 490 1HH1 ARG 62 HH11 ARG 62 12.996 -11.560 -0.315 491 2HH1 ARG 62 HH12 ARG 62 14.334 -11.785 0.718 492 1HH2 ARG 62 HH21 ARG 62 14.501 -8.442 1.814 493 2HH2 ARG 62 HH22 ARG 62 15.271 -9.964 1.898 494 H GLN 63 HN GLN 63 6.424 -8.170 -3.601 495 HA GLN 63 HA GLN 63 7.749 -7.244 -6.041 496 1HB GLN 63 HB2 GLN 63 6.078 -8.575 -7.378 497 2HB GLN 63 HB1 GLN 63 7.151 -9.559 -6.402 498 1HG GLN 63 HG2 GLN 63 4.481 -8.835 -5.313 499 2HG GLN 63 HG1 GLN 63 4.570 -10.023 -6.607 500 1HE2 GLN 63 HE21 GLN 63 7.170 -9.767 -4.381 501 2HE2 GLN 63 HE22 GLN 63 6.809 -11.204 -3.475 502 H LEU 64 HN LEU 64 6.044 -5.967 -3.857 503 HA LEU 64 HA LEU 64 3.994 -4.754 -5.420 504 1HB LEU 64 HB2 LEU 64 5.260 -3.811 -2.836 505 2HB LEU 64 HB1 LEU 64 3.823 -3.118 -3.555 506 HG LEU 64 HG LEU 64 4.063 -5.928 -2.491 507 1HD1 LEU 64 HD11 LEU 64 2.573 -5.157 -0.714 508 2HD1 LEU 64 HD12 LEU 64 2.657 -3.518 -1.363 509 3HD1 LEU 64 HD13 LEU 64 4.106 -4.288 -0.712 510 1HD2 LEU 64 HD21 LEU 64 1.626 -6.013 -2.781 511 2HD2 LEU 64 HD22 LEU 64 2.465 -5.791 -4.317 512 3HD2 LEU 64 HD23 LEU 64 1.669 -4.421 -3.542 513 H THR 65 HN THR 65 4.343 -3.288 -6.999 514 HA THR 65 HA THR 65 7.009 -2.350 -7.487 515 HB THR 65 HB THR 65 5.899 -1.668 -9.636 516 HG1 THR 65 HG1 THR 65 3.825 -2.249 -9.917 517 1HG2 THR 65 HG21 THR 65 7.050 -3.813 -9.316 518 2HG2 THR 65 HG22 THR 65 5.630 -3.983 -10.374 519 3HG2 THR 65 HG23 THR 65 5.542 -4.471 -8.672 520 H LEU 66 HN LEU 66 5.932 -1.115 -5.326 521 HA LEU 66 HA LEU 66 5.589 0.835 -4.291 522 1HB LEU 66 HB2 LEU 66 7.646 1.345 -5.754 523 2HB LEU 66 HB1 LEU 66 6.553 2.246 -6.777 524 HG LEU 66 HG LEU 66 7.846 3.675 -5.207 525 1HD1 LEU 66 HD11 LEU 66 5.709 4.471 -6.022 526 2HD1 LEU 66 HD12 LEU 66 5.977 4.999 -4.353 527 3HD1 LEU 66 HD13 LEU 66 4.892 3.644 -4.700 528 1HD2 LEU 66 HD21 LEU 66 7.295 3.645 -2.828 529 2HD2 LEU 66 HD22 LEU 66 8.007 2.114 -3.349 530 3HD2 LEU 66 HD23 LEU 66 6.265 2.240 -3.089 531 H ARG 67 HN ARG 67 4.504 1.448 -7.639 532 HA ARG 67 HA ARG 67 2.323 2.939 -6.534 533 1HB ARG 67 HB2 ARG 67 3.176 2.434 -9.341 534 2HB ARG 67 HB1 ARG 67 1.524 2.969 -9.041 535 1HG ARG 67 HG2 ARG 67 3.999 4.393 -8.078 536 2HG ARG 67 HG1 ARG 67 3.039 4.846 -9.495 537 1HD ARG 67 HD2 ARG 67 1.076 5.172 -8.074 538 2HD ARG 67 HD1 ARG 67 1.989 4.667 -6.676 539 HE ARG 67 HE ARG 67 3.207 6.649 -6.721 540 1HH1 ARG 67 HH11 ARG 67 0.755 6.676 -9.290 541 2HH1 ARG 67 HH12 ARG 67 0.524 8.363 -9.240 542 1HH2 ARG 67 HH21 ARG 67 2.843 9.014 -6.641 543 2HH2 ARG 67 HH22 ARG 67 1.764 9.697 -7.735 544 H LYS 68 HN LYS 68 2.822 -0.250 -7.263 545 HA LYS 68 HA LYS 68 0.136 -1.091 -7.501 546 1HB LYS 68 HB2 LYS 68 2.131 -2.522 -7.903 547 2HB LYS 68 HB1 LYS 68 2.432 -2.548 -6.173 548 1HG LYS 68 HG2 LYS 68 0.281 -3.675 -5.818 549 2HG LYS 68 HG1 LYS 68 0.000 -3.673 -7.560 550 1HD LYS 68 HD2 LYS 68 2.292 -5.044 -6.147 551 2HD LYS 68 HD1 LYS 68 0.843 -5.834 -6.750 552 1HE LYS 68 HE2 LYS 68 1.417 -5.180 -9.033 553 2HE LYS 68 HE1 LYS 68 2.855 -4.350 -8.444 554 1HZ LYS 68 HZ1 LYS 68 3.766 -6.426 -7.732 555 2HZ LYS 68 HZ2 LYS 68 3.313 -6.587 -9.336 556 3HZ LYS 68 HZ3 LYS 68 2.345 -7.242 -8.102 557 H LEU 69 HN LEU 69 2.032 0.109 -4.916 558 HA LEU 69 HA LEU 69 0.556 -0.846 -2.698 559 1HB LEU 69 HB2 LEU 69 2.336 1.539 -3.012 560 2HB LEU 69 HB1 LEU 69 1.352 1.388 -1.577 561 HG LEU 69 HG LEU 69 3.560 0.645 -1.099 562 1HD1 LEU 69 HD11 LEU 69 1.794 -0.525 0.017 563 2HD1 LEU 69 HD12 LEU 69 3.136 -1.624 -0.311 564 3HD1 LEU 69 HD13 LEU 69 1.682 -1.683 -1.305 565 1HD2 LEU 69 HD21 LEU 69 4.599 -1.267 -2.221 566 2HD2 LEU 69 HD22 LEU 69 4.317 0.070 -3.338 567 3HD2 LEU 69 HD23 LEU 69 3.248 -1.333 -3.353 568 H GLN 70 HN GLN 70 -0.184 1.751 -4.935 569 HA GLN 70 HA GLN 70 -2.298 2.473 -3.106 570 1HB GLN 70 HB2 GLN 70 -2.846 4.349 -4.664 571 2HB GLN 70 HB1 GLN 70 -1.278 4.431 -3.884 572 1HG GLN 70 HG2 GLN 70 -0.178 3.812 -5.852 573 2HG GLN 70 HG1 GLN 70 -1.708 3.498 -6.723 574 1HE2 GLN 70 HE21 GLN 70 -1.412 5.029 -8.279 575 2HE2 GLN 70 HE22 GLN 70 -1.346 6.731 -7.945 576 H GLU 71 HN GLU 71 -1.963 0.193 -5.231 577 HA GLU 71 HA GLU 71 -4.808 0.204 -5.918 578 1HB GLU 71 HB2 GLU 71 -2.636 -1.799 -6.606 579 2HB GLU 71 HB1 GLU 71 -4.301 -1.877 -7.157 580 1HG GLU 71 HG2 GLU 71 -3.946 0.281 -8.330 581 2HG GLU 71 HG1 GLU 71 -2.244 0.189 -7.875 582 H MET 72 HN MET 72 -2.320 -1.410 -4.124 583 HA MET 72 HA MET 72 -4.114 -3.294 -2.825 584 1HB MET 72 HB2 MET 72 -1.164 -2.731 -2.433 585 2HB MET 72 HB1 MET 72 -2.050 -4.017 -1.629 586 1HG MET 72 HG2 MET 72 -1.713 -3.785 -4.611 587 2HG MET 72 HG1 MET 72 -0.690 -4.761 -3.566 588 1HE MET 72 HE1 MET 72 -2.721 -5.978 -1.481 589 2HE MET 72 HE2 MET 72 -1.491 -6.938 -2.304 590 3HE MET 72 HE3 MET 72 -3.164 -7.491 -2.271 591 H SER 73 HN SER 73 -3.948 -0.180 -2.491 592 HA SER 73 HA SER 73 -3.146 0.440 0.100 593 1HB SER 73 HB2 SER 73 -4.548 2.500 -0.353 594 2HB SER 73 HB1 SER 73 -3.292 2.120 -1.515 595 HG SER 73 HG SER 73 -5.747 2.470 -2.265 596 H SER 74 HN SER 74 -5.984 -0.905 -1.176 597 HA SER 74 HA SER 74 -7.782 -1.874 -0.346 598 1HB SER 74 HB2 SER 74 -6.432 -1.681 2.350 599 2HB SER 74 HB1 SER 74 -7.736 -2.780 1.894 600 HG SER 74 HG SER 74 -5.147 -2.736 0.689 601 H LYS 75 HN LYS 75 -8.917 -0.117 -0.970 602 HA LYS 75 HA LYS 75 -10.263 1.288 1.211 603 1HB LYS 75 HB2 LYS 75 -9.250 2.547 -1.362 604 2HB LYS 75 HB1 LYS 75 -10.445 3.286 -0.324 605 1HG LYS 75 HG2 LYS 75 -8.760 3.460 1.459 606 2HG LYS 75 HG1 LYS 75 -7.562 2.727 0.381 607 1HD LYS 75 HD2 LYS 75 -7.775 4.550 -1.185 608 2HD LYS 75 HD1 LYS 75 -9.105 5.239 -0.263 609 1HE LYS 75 HE2 LYS 75 -7.578 5.683 1.599 610 2HE LYS 75 HE1 LYS 75 -6.251 4.971 0.677 611 1HZ LYS 75 HZ1 LYS 75 -7.817 7.295 -0.297 612 2HZ LYS 75 HZ2 LYS 75 -6.285 6.794 -0.856 613 3HZ LYS 75 HZ3 LYS 75 -6.461 7.485 0.645 614 H ALA 76 HN ALA 76 -12.204 0.248 0.982 615 HA ALA 76 HA ALA 76 -13.171 -0.440 -1.626 616 1HB ALA 76 HB1 ALA 76 -13.763 -1.808 0.318 617 2HB ALA 76 HB2 ALA 76 -15.206 -1.154 -0.459 618 3HB ALA 76 HB3 ALA 76 -14.600 -0.434 1.035 619 H GLY 77 HN GLY 77 -13.747 1.121 -2.952 620 1HA GLY 77 HA2 GLY 77 -14.660 3.686 -2.008 621 2HA GLY 77 HA1 GLY 77 -14.448 3.199 -3.680 622 H SER 78 HN SER 78 -16.348 1.205 -1.681 623 HA SER 78 HA SER 78 -18.832 2.420 -2.544 624 1HB SER 78 HB2 SER 78 -18.134 -0.515 -2.883 625 2HB SER 78 HB1 SER 78 -19.678 0.240 -3.282 626 HG SER 78 HG SER 78 -17.820 1.640 -4.492 627 H ASP 79 HN ASP 79 -20.215 2.454 -0.885 628 HA ASP 79 HA ASP 79 -19.425 1.021 1.573 629 1HB ASP 79 HB2 ASP 79 -19.377 3.575 1.516 630 2HB ASP 79 HB1 ASP 79 -21.127 3.512 1.371 631 H THR 80 HN THR 80 -22.228 2.324 -0.175 632 HA THR 80 HA THR 80 -24.133 0.794 1.289 633 HB THR 80 HB THR 80 -24.534 2.134 -1.388 634 HG1 THR 80 HG1 THR 80 -24.860 3.299 1.186 635 1HG2 THR 80 HG21 THR 80 -26.825 2.427 -0.554 636 2HG2 THR 80 HG22 THR 80 -26.380 1.613 0.948 637 3HG2 THR 80 HG23 THR 80 -26.372 0.722 -0.574 638 H GLU 81 HN GLU 81 -22.657 0.555 -1.915 639 HA GLU 81 HA GLU 81 -23.953 -2.048 -2.251 640 1HB GLU 81 HB2 GLU 81 -23.711 -1.703 -4.676 641 2HB GLU 81 HB1 GLU 81 -24.699 -0.458 -3.928 642 1HG GLU 81 HG2 GLU 81 -22.794 1.077 -3.978 643 2HG GLU 81 HG1 GLU 81 -21.817 -0.178 -4.737 644 H LEU 82 HN LEU 82 -22.671 -3.565 -3.553 645 HA LEU 82 HA LEU 82 -19.782 -3.231 -3.326 646 1HB LEU 82 HB2 LEU 82 -21.362 -5.636 -2.374 647 2HB LEU 82 HB1 LEU 82 -19.624 -5.612 -2.554 648 HG LEU 82 HG LEU 82 -21.199 -3.924 -0.602 649 1HD1 LEU 82 HD11 LEU 82 -20.230 -5.387 1.101 650 2HD1 LEU 82 HD12 LEU 82 -19.490 -6.367 -0.165 651 3HD1 LEU 82 HD13 LEU 82 -21.247 -6.288 -0.023 652 1HD2 LEU 82 HD21 LEU 82 -18.221 -4.299 -0.942 653 2HD2 LEU 82 HD22 LEU 82 -19.004 -3.400 0.358 654 3HD2 LEU 82 HD23 LEU 82 -19.131 -2.832 -1.308 655 H ALA 83 HN ALA 83 -19.023 -5.670 -4.378 656 HA ALA 83 HA ALA 83 -19.745 -5.286 -7.110 657 1HB ALA 83 HB1 ALA 83 -18.165 -7.093 -7.556 658 2HB ALA 83 HB2 ALA 83 -18.062 -7.437 -5.829 659 3HB ALA 83 HB3 ALA 83 -17.467 -5.901 -6.461 660 H ALA 84 HN ALA 84 -21.041 -6.488 -8.375 661 HA ALA 84 HA ALA 84 -22.242 -8.921 -7.348 662 1HB ALA 84 HB1 ALA 84 -24.490 -8.123 -7.948 663 2HB ALA 84 HB2 ALA 84 -23.823 -6.534 -8.326 664 3HB ALA 84 HB3 ALA 84 -23.780 -7.138 -6.669 665 HA PRO 85 HA PRO 85 -21.388 -9.915 -11.581 666 1HB PRO 85 HB2 PRO 85 -22.825 -12.211 -11.795 667 2HB PRO 85 HB1 PRO 85 -21.294 -12.122 -10.913 668 1HG PRO 85 HG2 PRO 85 -24.096 -12.036 -9.860 669 2HG PRO 85 HG1 PRO 85 -22.692 -12.918 -9.230 670 1HD PRO 85 HD2 PRO 85 -23.541 -10.584 -8.158 671 2HD PRO 85 HD1 PRO 85 -21.827 -11.047 -8.187 672 H LYS 86 HN LYS 86 -24.354 -9.337 -10.396 673 HA LYS 86 HA LYS 86 -25.683 -9.273 -13.014 674 1HB LYS 86 HB2 LYS 86 -26.856 -8.796 -10.261 675 2HB LYS 86 HB1 LYS 86 -27.770 -8.826 -11.762 676 1HG LYS 86 HG2 LYS 86 -27.140 -11.182 -12.081 677 2HG LYS 86 HG1 LYS 86 -26.274 -11.139 -10.543 678 1HD LYS 86 HD2 LYS 86 -28.382 -10.574 -9.400 679 2HD LYS 86 HD1 LYS 86 -29.228 -10.677 -10.947 680 1HE LYS 86 HE2 LYS 86 -28.563 -13.028 -11.145 681 2HE LYS 86 HE1 LYS 86 -27.738 -12.920 -9.592 682 1HZ LYS 86 HZ1 LYS 86 -29.921 -13.910 -9.349 683 2HZ LYS 86 HZ2 LYS 86 -30.656 -12.596 -10.062 684 3HZ LYS 86 HZ3 LYS 86 -29.914 -12.430 -8.551 685 H SER 87 HN SER 87 -25.388 -7.508 -14.111 686 HA SER 87 HA SER 87 -24.524 -5.082 -12.872 687 1HB SER 87 HB2 SER 87 -25.233 -5.628 -15.756 688 2HB SER 87 HB1 SER 87 -24.213 -4.327 -15.133 689 HG SER 87 HG SER 87 -22.980 -6.264 -14.201 690 H LYS 88 HN LYS 88 -27.320 -6.116 -14.812 691 HA LYS 88 HA LYS 88 -28.826 -3.776 -13.807 692 1HB LYS 88 HB2 LYS 88 -29.303 -5.195 -16.438 693 2HB LYS 88 HB1 LYS 88 -29.983 -3.664 -15.908 694 1HG LYS 88 HG2 LYS 88 -27.730 -2.662 -16.027 695 2HG LYS 88 HG1 LYS 88 -27.111 -4.195 -16.643 696 1HD LYS 88 HD2 LYS 88 -27.483 -2.767 -18.512 697 2HD LYS 88 HD1 LYS 88 -28.759 -3.986 -18.524 698 1HE LYS 88 HE2 LYS 88 -29.737 -1.848 -19.004 699 2HE LYS 88 HE1 LYS 88 -30.254 -2.358 -17.400 700 1HZ LYS 88 HZ1 LYS 88 -28.551 -0.866 -16.439 701 2HZ LYS 88 HZ2 LYS 88 -29.604 0.001 -17.426 702 3HZ LYS 88 HZ3 LYS 88 -28.083 -0.433 -17.987 703 H ASN 89 HN ASN 89 -29.204 -6.905 -15.382 704 HA ASN 89 HA ASN 89 -31.181 -7.715 -13.415 705 1HB ASN 89 HB2 ASN 89 -31.339 -8.065 -16.426 706 2HB ASN 89 HB1 ASN 89 -32.277 -9.026 -15.299 707 1HD2 ASN 89 HD21 ASN 89 -34.187 -8.381 -15.970 708 2HD2 ASN 89 HD22 ASN 89 -34.846 -6.786 -15.825 Start of MODEL 6 1 1H GLY 1 HT1 GLY 1 -18.580 9.785 13.688 2 2H GLY 1 HT2 GLY 1 -18.036 11.406 13.774 3 3H GLY 1 HT3 GLY 1 -17.010 10.168 13.240 4 1HA GLY 1 HA1 GLY 1 -19.477 10.907 11.824 5 2HA GLY 1 HA2 GLY 1 -17.877 11.525 11.416 6 H ASP 2 HN ASP 2 -17.655 10.512 9.457 7 HA ASP 2 HA ASP 2 -17.203 7.631 9.610 8 1HB ASP 2 HB2 ASP 2 -19.418 7.847 8.571 9 2HB ASP 2 HB1 ASP 2 -18.791 9.028 7.425 10 H GLY 3 HN GLY 3 -15.467 6.968 8.337 11 1HA GLY 3 HA2 GLY 3 -14.322 8.131 6.234 12 2HA GLY 3 HA1 GLY 3 -13.763 9.146 7.554 13 H GLU 4 HN GLU 4 -13.960 5.783 6.525 14 HA GLU 4 HA GLU 4 -11.564 5.241 8.066 15 1HB GLU 4 HB2 GLU 4 -13.376 3.499 7.925 16 2HB GLU 4 HB1 GLU 4 -13.091 3.396 6.196 17 1HG GLU 4 HG2 GLU 4 -12.000 1.550 7.227 18 2HG GLU 4 HG1 GLU 4 -10.758 2.671 6.678 19 H ALA 5 HN ALA 5 -10.136 6.483 7.116 20 HA ALA 5 HA ALA 5 -9.723 6.337 4.236 21 1HB ALA 5 HB1 ALA 5 -8.442 8.108 6.325 22 2HB ALA 5 HB2 ALA 5 -9.776 8.561 5.265 23 3HB ALA 5 HB3 ALA 5 -8.185 8.221 4.582 24 H GLN 6 HN GLN 6 -8.582 5.181 7.206 25 HA GLN 6 HA GLN 6 -7.062 3.662 7.847 26 1HB GLN 6 HB2 GLN 6 -7.945 2.345 5.972 27 2HB GLN 6 HB1 GLN 6 -6.828 3.128 4.875 28 1HG GLN 6 HG2 GLN 6 -4.955 2.065 6.044 29 2HG GLN 6 HG1 GLN 6 -6.098 1.266 7.128 30 1HE2 GLN 6 HE21 GLN 6 -4.203 0.087 5.241 31 2HE2 GLN 6 HE22 GLN 6 -5.146 -0.837 4.123 32 H ARG 7 HN ARG 7 -5.424 4.403 4.856 33 HA ARG 7 HA ARG 7 -3.712 6.417 5.594 34 1HB ARG 7 HB2 ARG 7 -2.713 4.736 7.176 35 2HB ARG 7 HB1 ARG 7 -2.446 3.651 5.819 36 1HG ARG 7 HG2 ARG 7 -0.371 4.737 6.341 37 2HG ARG 7 HG1 ARG 7 -0.965 5.374 4.805 38 1HD ARG 7 HD2 ARG 7 -1.927 7.308 6.059 39 2HD ARG 7 HD1 ARG 7 -1.147 6.690 7.513 40 HE ARG 7 HE ARG 7 0.155 7.859 5.163 41 1HH1 ARG 7 HH11 ARG 7 0.550 6.434 8.391 42 2HH1 ARG 7 HH12 ARG 7 2.024 7.237 8.694 43 1HH2 ARG 7 HH21 ARG 7 2.229 8.947 5.628 44 2HH2 ARG 7 HH22 ARG 7 2.934 8.716 7.165 45 H ASP 8 HN ASP 8 -2.835 7.062 3.657 46 HA ASP 8 HA ASP 8 -3.198 5.226 1.450 47 1HB ASP 8 HB2 ASP 8 -3.723 7.658 1.123 48 2HB ASP 8 HB1 ASP 8 -2.010 8.009 1.370 49 H LEU 9 HN LEU 9 -1.713 3.923 0.859 50 HA LEU 9 HA LEU 9 0.623 3.774 2.394 51 1HB LEU 9 HB2 LEU 9 -0.428 2.106 0.168 52 2HB LEU 9 HB1 LEU 9 1.200 1.853 0.745 53 HG LEU 9 HG LEU 9 0.265 1.427 3.023 54 1HD1 LEU 9 HD11 LEU 9 -1.798 2.642 2.800 55 2HD1 LEU 9 HD12 LEU 9 -2.094 0.961 3.279 56 3HD1 LEU 9 HD13 LEU 9 -2.360 1.476 1.603 57 1HD2 LEU 9 HD21 LEU 9 -0.582 -0.803 2.507 58 2HD2 LEU 9 HD22 LEU 9 0.842 -0.403 1.545 59 3HD2 LEU 9 HD23 LEU 9 -0.762 -0.338 0.815 60 H VAL 10 HN VAL 10 0.116 5.561 -0.438 61 HA VAL 10 HA VAL 10 2.829 5.241 -1.180 62 HB VAL 10 HB VAL 10 0.707 7.133 -2.260 63 1HG1 VAL 10 HG11 VAL 10 2.917 8.245 -2.426 64 2HG1 VAL 10 HG12 VAL 10 2.307 7.772 -4.012 65 3HG1 VAL 10 HG13 VAL 10 3.565 6.815 -3.229 66 1HG2 VAL 10 HG21 VAL 10 0.490 4.774 -2.840 67 2HG2 VAL 10 HG22 VAL 10 2.146 4.753 -3.425 68 3HG2 VAL 10 HG23 VAL 10 0.934 5.728 -4.252 69 H LYS 11 HN LYS 11 0.948 7.504 0.707 70 HA LYS 11 HA LYS 11 3.346 9.108 1.116 71 1HB LYS 11 HB2 LYS 11 0.609 9.561 2.374 72 2HB LYS 11 HB1 LYS 11 1.998 10.634 2.460 73 1HG LYS 11 HG2 LYS 11 0.601 11.623 0.868 74 2HG LYS 11 HG1 LYS 11 1.811 10.774 -0.097 75 1HD LYS 11 HD2 LYS 11 0.207 8.843 -0.188 76 2HD LYS 11 HD1 LYS 11 -0.997 9.909 0.525 77 1HE LYS 11 HE2 LYS 11 -0.776 11.420 -1.378 78 2HE LYS 11 HE1 LYS 11 0.431 10.341 -2.091 79 1HZ LYS 11 HZ1 LYS 11 -2.462 9.836 -1.686 80 2HZ LYS 11 HZ2 LYS 11 -1.370 8.588 -1.820 81 3HZ LYS 11 HZ3 LYS 11 -1.537 9.659 -3.116 82 H ALA 12 HN ALA 12 2.689 6.337 2.029 83 HA ALA 12 HA ALA 12 3.607 6.666 4.797 84 1HB ALA 12 HB1 ALA 12 1.399 5.594 4.703 85 2HB ALA 12 HB2 ALA 12 2.622 4.474 5.299 86 3HB ALA 12 HB3 ALA 12 2.047 4.349 3.639 87 H VAL 13 HN VAL 13 3.612 4.098 2.313 88 HA VAL 13 HA VAL 13 6.076 3.018 3.226 89 HB VAL 13 HB VAL 13 4.469 2.433 0.728 90 1HG1 VAL 13 HG11 VAL 13 6.753 0.873 1.944 91 2HG1 VAL 13 HG12 VAL 13 6.759 1.751 0.409 92 3HG1 VAL 13 HG13 VAL 13 5.733 0.330 0.605 93 1HG2 VAL 13 HG21 VAL 13 3.241 1.963 2.773 94 2HG2 VAL 13 HG22 VAL 13 4.591 1.009 3.388 95 3HG2 VAL 13 HG23 VAL 13 3.692 0.459 1.973 96 H ALA 14 HN ALA 14 5.112 4.776 0.292 97 HA ALA 14 HA ALA 14 7.727 4.799 -0.785 98 1HB ALA 14 HB1 ALA 14 5.722 5.161 -2.153 99 2HB ALA 14 HB2 ALA 14 6.905 6.449 -2.370 100 3HB ALA 14 HB3 ALA 14 5.465 6.721 -1.371 101 H HIS 15 HN HIS 15 6.047 6.768 1.456 102 HA HIS 15 HA HIS 15 7.828 8.979 1.455 103 1HB HIS 15 HB2 HIS 15 5.482 9.071 2.287 104 2HB HIS 15 HB1 HIS 15 5.947 8.054 3.640 105 HD1 HIS 15 HD1 HIS 15 6.503 9.290 5.714 106 HD2 HIS 15 HD2 HIS 15 7.030 11.638 2.322 107 HE1 HIS 15 HE1 HIS 15 7.067 11.557 6.550 108 HE2 HIS 15 HE2 HIS 15 7.253 12.999 4.518 109 H ILE 16 HN ILE 16 8.030 5.812 2.802 110 HA ILE 16 HA ILE 16 9.945 6.340 4.857 111 HB ILE 16 HB ILE 16 9.376 3.795 3.289 112 1HG1 ILE 16 HG12 ILE 16 7.453 4.480 4.595 113 2HG1 ILE 16 HG11 ILE 16 8.171 3.044 5.310 114 1HG2 ILE 16 HG21 ILE 16 10.539 2.551 5.051 115 2HG2 ILE 16 HG22 ILE 16 11.031 4.077 5.789 116 3HG2 ILE 16 HG23 ILE 16 11.610 3.646 4.177 117 1HD1 ILE 16 HD11 ILE 16 8.500 5.872 6.289 118 2HD1 ILE 16 HD12 ILE 16 9.229 4.439 7.017 119 3HD1 ILE 16 HD13 ILE 16 7.478 4.630 7.011 120 H LEU 17 HN LEU 17 10.064 5.615 1.451 121 HA LEU 17 HA LEU 17 12.960 5.493 1.403 122 1HB LEU 17 HB2 LEU 17 10.978 5.430 -0.873 123 2HB LEU 17 HB1 LEU 17 12.698 5.142 -1.018 124 HG LEU 17 HG LEU 17 10.735 3.415 0.488 125 1HD1 LEU 17 HD11 LEU 17 10.473 3.241 -1.918 126 2HD1 LEU 17 HD12 LEU 17 11.188 1.770 -1.258 127 3HD1 LEU 17 HD13 LEU 17 12.201 2.941 -2.098 128 1HD2 LEU 17 HD21 LEU 17 12.930 3.393 1.546 129 2HD2 LEU 17 HD22 LEU 17 13.687 3.043 -0.008 130 3HD2 LEU 17 HD23 LEU 17 12.613 1.857 0.738 131 H GLY 18 HN GLY 18 10.402 7.686 0.553 132 1HA GLY 18 HA2 GLY 18 10.872 10.079 0.779 133 2HA GLY 18 HA1 GLY 18 12.428 9.772 0.020 134 H ILE 19 HN ILE 19 9.468 8.281 -1.053 135 HA ILE 19 HA ILE 19 9.522 9.964 -3.417 136 HB ILE 19 HB ILE 19 8.479 7.769 -4.471 137 1HG1 ILE 19 HG12 ILE 19 10.385 6.689 -2.386 138 2HG1 ILE 19 HG11 ILE 19 8.665 6.359 -2.516 139 1HG2 ILE 19 HG21 ILE 19 10.684 7.269 -5.456 140 2HG2 ILE 19 HG22 ILE 19 11.445 8.295 -4.241 141 3HG2 ILE 19 HG23 ILE 19 10.322 8.991 -5.420 142 1HD1 ILE 19 HD11 ILE 19 9.988 4.481 -3.294 143 2HD1 ILE 19 HD12 ILE 19 10.786 5.514 -4.481 144 3HD1 ILE 19 HD13 ILE 19 9.060 5.179 -4.622 145 H ARG 20 HN ARG 20 7.555 9.997 -4.594 146 HA ARG 20 HA ARG 20 5.020 9.312 -3.443 147 1HB ARG 20 HB2 ARG 20 5.602 11.131 -1.917 148 2HB ARG 20 HB1 ARG 20 5.979 12.175 -3.276 149 1HG ARG 20 HG2 ARG 20 3.556 11.910 -3.961 150 2HG ARG 20 HG1 ARG 20 3.296 11.208 -2.358 151 1HD ARG 20 HD2 ARG 20 2.837 13.605 -2.376 152 2HD ARG 20 HD1 ARG 20 4.201 13.211 -1.321 153 HE ARG 20 HE ARG 20 5.172 13.799 -3.876 154 1HH1 ARG 20 HH11 ARG 20 3.680 15.504 -1.169 155 2HH1 ARG 20 HH12 ARG 20 4.409 16.999 -1.522 156 1HH2 ARG 20 HH21 ARG 20 6.191 15.753 -4.363 157 2HH2 ARG 20 HH22 ARG 20 5.969 17.144 -3.411 158 H ASP 21 HN ASP 21 6.780 11.672 -5.375 159 HA ASP 21 HA ASP 21 4.746 11.776 -7.433 160 1HB ASP 21 HB2 ASP 21 7.512 13.021 -7.332 161 2HB ASP 21 HB1 ASP 21 6.359 13.267 -8.632 162 H LEU 22 HN LEU 22 7.775 10.150 -6.942 163 HA LEU 22 HA LEU 22 8.734 8.390 -8.010 164 1HB LEU 22 HB2 LEU 22 5.942 8.077 -9.119 165 2HB LEU 22 HB1 LEU 22 7.239 7.008 -9.587 166 HG LEU 22 HG LEU 22 5.953 5.900 -7.970 167 1HD1 LEU 22 HD11 LEU 22 7.529 5.504 -6.167 168 2HD1 LEU 22 HD12 LEU 22 8.437 6.933 -6.667 169 3HD1 LEU 22 HD13 LEU 22 8.298 5.549 -7.751 170 1HD2 LEU 22 HD21 LEU 22 5.536 6.739 -5.720 171 2HD2 LEU 22 HD22 LEU 22 4.797 7.757 -6.954 172 3HD2 LEU 22 HD23 LEU 22 6.284 8.272 -6.160 173 H ALA 23 HN ALA 23 9.125 10.895 -9.058 174 HA ALA 23 HA ALA 23 8.745 10.781 -11.871 175 1HB ALA 23 HB1 ALA 23 8.625 12.917 -10.721 176 2HB ALA 23 HB2 ALA 23 9.901 12.941 -11.940 177 3HB ALA 23 HB3 ALA 23 10.313 12.764 -10.235 178 H GLY 24 HN GLY 24 10.914 9.545 -9.787 179 1HA GLY 24 HA2 GLY 24 12.829 8.956 -11.936 180 2HA GLY 24 HA1 GLY 24 13.428 9.602 -10.410 181 H ILE 25 HN ILE 25 10.723 7.412 -10.578 182 HA ILE 25 HA ILE 25 12.395 5.162 -9.822 183 HB ILE 25 HB ILE 25 9.922 6.077 -8.294 184 1HG1 ILE 25 HG12 ILE 25 12.036 7.224 -7.634 185 2HG1 ILE 25 HG11 ILE 25 11.307 6.292 -6.338 186 1HG2 ILE 25 HG21 ILE 25 9.859 3.672 -8.554 187 2HG2 ILE 25 HG22 ILE 25 10.213 4.085 -6.876 188 3HG2 ILE 25 HG23 ILE 25 11.508 3.535 -7.941 189 1HD1 ILE 25 HD11 ILE 25 12.925 4.516 -6.712 190 2HD1 ILE 25 HD12 ILE 25 13.699 6.053 -6.332 191 3HD1 ILE 25 HD13 ILE 25 13.679 5.463 -8.003 192 H ASN 26 HN ASN 26 11.618 3.367 -10.757 193 HA ASN 26 HA ASN 26 9.458 3.821 -12.650 194 1HB ASN 26 HB2 ASN 26 11.276 1.415 -12.373 195 2HB ASN 26 HB1 ASN 26 10.017 1.579 -13.588 196 1HD2 ASN 26 HD21 ASN 26 13.158 2.509 -12.598 197 2HD2 ASN 26 HD22 ASN 26 13.623 3.328 -14.047 198 H LEU 27 HN LEU 27 7.630 2.567 -12.800 199 HA LEU 27 HA LEU 27 6.780 1.610 -10.176 200 1HB LEU 27 HB2 LEU 27 5.174 2.315 -12.633 201 2HB LEU 27 HB1 LEU 27 4.529 1.960 -11.037 202 HG LEU 27 HG LEU 27 6.274 4.316 -11.733 203 1HD1 LEU 27 HD11 LEU 27 4.323 5.666 -11.324 204 2HD1 LEU 27 HD12 LEU 27 3.340 4.217 -11.091 205 3HD1 LEU 27 HD13 LEU 27 4.060 4.558 -12.672 206 1HD2 LEU 27 HD21 LEU 27 6.641 3.543 -9.454 207 2HD2 LEU 27 HD22 LEU 27 4.901 3.605 -9.151 208 3HD2 LEU 27 HD23 LEU 27 5.790 5.089 -9.473 209 H ASP 28 HN ASP 28 8.310 0.359 -12.482 210 HA ASP 28 HA ASP 28 6.776 -2.146 -12.710 211 1HB ASP 28 HB2 ASP 28 9.188 -1.247 -14.314 212 2HB ASP 28 HB1 ASP 28 8.255 -2.713 -14.572 213 H SER 29 HN SER 29 9.004 -0.643 -10.889 214 HA SER 29 HA SER 29 10.941 -2.755 -10.684 215 1HB SER 29 HB2 SER 29 10.669 -0.165 -9.144 216 2HB SER 29 HB1 SER 29 12.076 -1.226 -9.182 217 HG SER 29 HG SER 29 11.894 -0.821 -11.597 218 H SER 30 HN SER 30 10.959 -4.194 -9.122 219 HA SER 30 HA SER 30 8.753 -4.602 -7.391 220 1HB SER 30 HB2 SER 30 11.501 -5.797 -7.606 221 2HB SER 30 HB1 SER 30 10.298 -6.432 -6.501 222 HG SER 30 HG SER 30 8.972 -6.423 -8.676 223 H LEU 31 HN LEU 31 8.773 -4.465 -5.061 224 HA LEU 31 HA LEU 31 9.880 -2.113 -4.009 225 1HB LEU 31 HB2 LEU 31 7.828 -3.208 -3.141 226 2HB LEU 31 HB1 LEU 31 8.814 -4.497 -2.487 227 HG LEU 31 HG LEU 31 9.859 -2.916 -0.916 228 1HD1 LEU 31 HD11 LEU 31 8.980 -0.663 -0.700 229 2HD1 LEU 31 HD12 LEU 31 7.962 -0.944 -2.130 230 3HD1 LEU 31 HD13 LEU 31 9.721 -0.934 -2.287 231 1HD2 LEU 31 HD21 LEU 31 7.840 -4.092 -0.238 232 2HD2 LEU 31 HD22 LEU 31 6.854 -2.792 -0.902 233 3HD2 LEU 31 HD23 LEU 31 7.915 -2.481 0.475 234 H ALA 32 HN ALA 32 11.066 -5.317 -4.117 235 HA ALA 32 HA ALA 32 13.012 -4.949 -2.127 236 1HB ALA 32 HB1 ALA 32 14.081 -6.999 -2.989 237 2HB ALA 32 HB2 ALA 32 13.012 -6.942 -4.394 238 3HB ALA 32 HB3 ALA 32 12.342 -7.186 -2.779 239 H ASP 33 HN ASP 33 12.871 -4.196 -5.518 240 HA ASP 33 HA ASP 33 15.678 -3.713 -5.738 241 1HB ASP 33 HB2 ASP 33 13.399 -3.138 -7.624 242 2HB ASP 33 HB1 ASP 33 15.062 -2.678 -7.957 243 H LEU 34 HN LEU 34 12.908 -2.069 -4.770 244 HA LEU 34 HA LEU 34 13.744 0.610 -5.296 245 1HB LEU 34 HB2 LEU 34 11.728 -0.380 -3.289 246 2HB LEU 34 HB1 LEU 34 11.879 1.259 -3.890 247 HG LEU 34 HG LEU 34 11.060 -1.140 -5.514 248 1HD1 LEU 34 HD11 LEU 34 9.434 -0.490 -3.896 249 2HD1 LEU 34 HD12 LEU 34 8.873 -0.136 -5.532 250 3HD1 LEU 34 HD13 LEU 34 9.447 1.176 -4.484 251 1HD2 LEU 34 HD21 LEU 34 12.234 0.508 -6.848 252 2HD2 LEU 34 HD22 LEU 34 11.148 1.774 -6.249 253 3HD2 LEU 34 HD23 LEU 34 10.515 0.447 -7.236 254 H GLY 35 HN GLY 35 13.455 -1.277 -2.310 255 1HA GLY 35 HA2 GLY 35 15.856 -0.883 -1.168 256 2HA GLY 35 HA1 GLY 35 15.113 0.690 -0.941 257 H LEU 36 HN LEU 36 13.902 -2.615 -0.679 258 HA LEU 36 HA LEU 36 12.870 -1.836 1.902 259 1HB LEU 36 HB2 LEU 36 11.059 -2.799 1.207 260 2HB LEU 36 HB1 LEU 36 11.769 -3.546 -0.166 261 HG LEU 36 HG LEU 36 12.401 -5.469 1.434 262 1HD1 LEU 36 HD11 LEU 36 12.176 -4.263 3.544 263 2HD1 LEU 36 HD12 LEU 36 11.096 -5.657 3.485 264 3HD1 LEU 36 HD13 LEU 36 10.455 -4.034 3.237 265 1HD2 LEU 36 HD21 LEU 36 10.577 -5.579 -0.153 266 2HD2 LEU 36 HD22 LEU 36 9.515 -4.793 1.012 267 3HD2 LEU 36 HD23 LEU 36 10.166 -6.402 1.360 268 H ASP 37 HN ASP 37 14.063 -2.049 3.458 269 HA ASP 37 HA ASP 37 15.904 -4.302 3.697 270 1HB ASP 37 HB2 ASP 37 16.921 -2.171 4.148 271 2HB ASP 37 HB1 ASP 37 15.622 -1.719 5.243 272 H SER 38 HN SER 38 13.931 -2.554 6.076 273 HA SER 38 HA SER 38 12.824 -5.121 6.949 274 1HB SER 38 HB2 SER 38 13.958 -3.045 8.831 275 2HB SER 38 HB1 SER 38 13.249 -4.598 9.275 276 HG SER 38 HG SER 38 15.682 -4.035 7.983 277 H LEU 39 HN LEU 39 12.755 -1.631 7.745 278 HA LEU 39 HA LEU 39 10.157 -1.606 8.780 279 1HB LEU 39 HB2 LEU 39 11.755 0.196 9.121 280 2HB LEU 39 HB1 LEU 39 11.654 0.623 7.422 281 HG LEU 39 HG LEU 39 9.215 1.079 7.787 282 1HD1 LEU 39 HD11 LEU 39 8.470 1.539 10.063 283 2HD1 LEU 39 HD12 LEU 39 9.988 0.885 10.684 284 3HD1 LEU 39 HD13 LEU 39 8.867 -0.162 9.816 285 1HD2 LEU 39 HD21 LEU 39 9.602 3.247 8.765 286 2HD2 LEU 39 HD22 LEU 39 10.828 2.797 7.566 287 3HD2 LEU 39 HD23 LEU 39 11.214 2.723 9.300 288 H MET 40 HN MET 40 11.304 -1.334 5.531 289 HA MET 40 HA MET 40 8.945 -0.384 4.264 290 1HB MET 40 HB2 MET 40 11.162 -1.991 3.041 291 2HB MET 40 HB1 MET 40 10.038 -0.909 2.219 292 1HG MET 40 HG2 MET 40 12.078 0.254 2.312 293 2HG MET 40 HG1 MET 40 11.088 0.947 3.587 294 1HE MET 40 HE1 MET 40 14.281 1.274 3.339 295 2HE MET 40 HE2 MET 40 14.756 1.108 5.030 296 3HE MET 40 HE3 MET 40 13.321 2.041 4.604 297 H GLY 41 HN GLY 41 9.523 -3.300 5.724 298 1HA GLY 41 HA2 GLY 41 7.312 -4.494 4.199 299 2HA GLY 41 HA1 GLY 41 8.639 -5.461 4.852 300 H VAL 42 HN VAL 42 8.830 -3.957 7.315 301 HA VAL 42 HA VAL 42 6.907 -5.371 8.851 302 HB VAL 42 HB VAL 42 8.760 -3.123 9.733 303 1HG1 VAL 42 HG11 VAL 42 8.440 -3.995 11.994 304 2HG1 VAL 42 HG12 VAL 42 7.277 -5.165 11.374 305 3HG1 VAL 42 HG13 VAL 42 6.921 -3.442 11.289 306 1HG2 VAL 42 HG21 VAL 42 9.120 -6.110 9.909 307 2HG2 VAL 42 HG22 VAL 42 10.201 -4.904 10.606 308 3HG2 VAL 42 HG23 VAL 42 10.015 -5.014 8.855 309 H GLU 43 HN GLU 43 7.209 -1.902 7.986 310 HA GLU 43 HA GLU 43 4.963 -1.273 9.589 311 1HB GLU 43 HB2 GLU 43 6.765 0.379 8.933 312 2HB GLU 43 HB1 GLU 43 6.024 0.443 7.337 313 1HG GLU 43 HG2 GLU 43 3.930 1.184 8.323 314 2HG GLU 43 HG1 GLU 43 4.639 1.110 9.925 315 H VAL 44 HN VAL 44 5.435 -2.227 6.297 316 HA VAL 44 HA VAL 44 2.876 -1.658 5.221 317 HB VAL 44 HB VAL 44 4.755 -3.963 4.566 318 1HG1 VAL 44 HG11 VAL 44 2.435 -2.863 2.973 319 2HG1 VAL 44 HG12 VAL 44 2.493 -4.431 3.782 320 3HG1 VAL 44 HG13 VAL 44 3.566 -4.105 2.424 321 1HG2 VAL 44 HG21 VAL 44 5.780 -1.792 4.227 322 2HG2 VAL 44 HG22 VAL 44 4.403 -1.276 3.254 323 3HG2 VAL 44 HG23 VAL 44 5.456 -2.571 2.681 324 H ARG 45 HN ARG 45 4.142 -4.505 6.872 325 HA ARG 45 HA ARG 45 1.747 -5.917 6.967 326 1HB ARG 45 HB2 ARG 45 4.233 -5.983 8.606 327 2HB ARG 45 HB1 ARG 45 2.865 -6.936 9.136 328 1HG ARG 45 HG2 ARG 45 2.851 -8.049 6.922 329 2HG ARG 45 HG1 ARG 45 4.288 -7.122 6.491 330 1HD ARG 45 HD2 ARG 45 4.131 -8.931 8.886 331 2HD ARG 45 HD1 ARG 45 4.709 -9.457 7.304 332 HE ARG 45 HE ARG 45 6.335 -7.514 7.606 333 1HH1 ARG 45 HH11 ARG 45 5.124 -9.373 10.384 334 2HH1 ARG 45 HH12 ARG 45 6.625 -9.419 11.176 335 1HH2 ARG 45 HH21 ARG 45 8.447 -7.631 8.720 336 2HH2 ARG 45 HH22 ARG 45 8.528 -8.470 10.197 337 H GLN 46 HN GLN 46 3.030 -3.496 9.177 338 HA GLN 46 HA GLN 46 0.876 -3.797 11.008 339 1HB GLN 46 HB2 GLN 46 2.793 -1.488 10.689 340 2HB GLN 46 HB1 GLN 46 1.680 -1.692 12.034 341 1HG GLN 46 HG2 GLN 46 2.814 -3.772 12.645 342 2HG GLN 46 HG1 GLN 46 3.942 -3.538 11.308 343 1HE2 GLN 46 HE21 GLN 46 5.685 -3.446 12.661 344 2HE2 GLN 46 HE22 GLN 46 6.039 -2.080 13.656 345 H ILE 47 HN ILE 47 0.832 -2.522 7.980 346 HA ILE 47 HA ILE 47 -1.407 -0.770 8.642 347 HB ILE 47 HB ILE 47 -0.056 -1.218 5.947 348 1HG1 ILE 47 HG12 ILE 47 0.038 1.172 7.807 349 2HG1 ILE 47 HG11 ILE 47 1.323 -0.015 7.617 350 1HG2 ILE 47 HG21 ILE 47 -1.394 0.696 5.176 351 2HG2 ILE 47 HG22 ILE 47 -2.210 0.755 6.739 352 3HG2 ILE 47 HG23 ILE 47 -2.419 -0.646 5.686 353 1HD1 ILE 47 HD11 ILE 47 1.588 0.663 5.281 354 2HD1 ILE 47 HD12 ILE 47 1.819 2.009 6.396 355 3HD1 ILE 47 HD13 ILE 47 0.311 1.867 5.488 356 H LEU 48 HN LEU 48 -0.651 -3.404 6.381 357 HA LEU 48 HA LEU 48 -3.398 -3.793 5.763 358 1HB LEU 48 HB2 LEU 48 -0.978 -5.444 5.070 359 2HB LEU 48 HB1 LEU 48 -2.592 -5.892 4.582 360 HG LEU 48 HG LEU 48 -1.562 -4.882 2.725 361 1HD1 LEU 48 HD11 LEU 48 -3.866 -4.265 2.990 362 2HD1 LEU 48 HD12 LEU 48 -2.955 -2.936 2.264 363 3HD1 LEU 48 HD13 LEU 48 -3.402 -2.871 3.968 364 1HD2 LEU 48 HD21 LEU 48 0.265 -3.708 3.800 365 2HD2 LEU 48 HD22 LEU 48 -0.863 -2.530 4.473 366 3HD2 LEU 48 HD23 LEU 48 -0.614 -2.615 2.729 367 H GLU 49 HN GLU 49 -1.157 -5.605 7.809 368 HA GLU 49 HA GLU 49 -2.948 -7.723 8.402 369 1HB GLU 49 HB2 GLU 49 -0.471 -7.821 8.638 370 2HB GLU 49 HB1 GLU 49 -0.586 -6.703 9.982 371 1HG GLU 49 HG2 GLU 49 -2.204 -8.556 10.916 372 2HG GLU 49 HG1 GLU 49 -1.267 -9.575 9.819 373 H ARG 50 HN ARG 50 -2.110 -4.702 9.869 374 HA ARG 50 HA ARG 50 -3.512 -5.128 12.312 375 1HB ARG 50 HB2 ARG 50 -1.546 -3.665 12.042 376 2HB ARG 50 HB1 ARG 50 -2.526 -2.562 11.103 377 1HG ARG 50 HG2 ARG 50 -3.960 -2.221 13.096 378 2HG ARG 50 HG1 ARG 50 -2.843 -3.238 14.016 379 1HD ARG 50 HD2 ARG 50 -1.008 -1.710 13.409 380 2HD ARG 50 HD1 ARG 50 -2.164 -0.680 12.577 381 HE ARG 50 HE ARG 50 -1.765 -0.980 15.420 382 1HH1 ARG 50 HH11 ARG 50 -3.979 0.293 12.911 383 2HH1 ARG 50 HH12 ARG 50 -4.535 1.540 13.891 384 1HH2 ARG 50 HH21 ARG 50 -2.588 0.822 16.723 385 2HH2 ARG 50 HH22 ARG 50 -3.783 1.851 16.011 386 H GLU 51 HN GLU 51 -4.270 -3.260 9.346 387 HA GLU 51 HA GLU 51 -6.763 -2.404 10.545 388 1HB GLU 51 HB2 GLU 51 -5.719 -1.865 7.771 389 2HB GLU 51 HB1 GLU 51 -7.152 -1.143 8.480 390 1HG GLU 51 HG2 GLU 51 -4.290 -0.725 9.262 391 2HG GLU 51 HG1 GLU 51 -5.425 0.446 8.593 392 H HIS 52 HN HIS 52 -5.817 -4.662 7.966 393 HA HIS 52 HA HIS 52 -8.688 -5.281 7.717 394 1HB HIS 52 HB2 HIS 52 -6.635 -5.069 5.538 395 2HB HIS 52 HB1 HIS 52 -8.124 -5.962 5.303 396 HD1 HIS 52 HD1 HIS 52 -10.095 -4.653 4.575 397 HD2 HIS 52 HD2 HIS 52 -7.069 -2.256 6.084 398 HE1 HIS 52 HE1 HIS 52 -10.787 -2.292 4.084 399 HE2 HIS 52 HE2 HIS 52 -8.729 -0.961 4.645 400 H ASP 53 HN ASP 53 -6.034 -6.500 8.960 401 HA ASP 53 HA ASP 53 -5.365 -8.499 9.667 402 1HB ASP 53 HB2 ASP 53 -7.879 -8.792 10.050 403 2HB ASP 53 HB1 ASP 53 -7.917 -9.698 8.546 404 H LEU 54 HN LEU 54 -4.988 -7.587 6.817 405 HA LEU 54 HA LEU 54 -4.564 -10.081 5.405 406 1HB LEU 54 HB2 LEU 54 -4.137 -7.213 4.649 407 2HB LEU 54 HB1 LEU 54 -3.278 -8.454 3.777 408 HG LEU 54 HG LEU 54 -5.474 -9.447 3.133 409 1HD1 LEU 54 HD11 LEU 54 -6.837 -8.584 4.929 410 2HD1 LEU 54 HD12 LEU 54 -7.478 -8.106 3.355 411 3HD1 LEU 54 HD13 LEU 54 -6.583 -6.944 4.341 412 1HD2 LEU 54 HD21 LEU 54 -5.023 -6.577 2.353 413 2HD2 LEU 54 HD22 LEU 54 -5.999 -7.747 1.465 414 3HD2 LEU 54 HD23 LEU 54 -4.259 -7.990 1.625 415 H VAL 55 HN VAL 55 -3.034 -11.261 6.381 416 HA VAL 55 HA VAL 55 -0.541 -10.048 7.095 417 HB VAL 55 HB VAL 55 -1.242 -13.003 6.891 418 1HG1 VAL 55 HG11 VAL 55 1.166 -12.625 6.772 419 2HG1 VAL 55 HG12 VAL 55 0.734 -13.374 8.307 420 3HG1 VAL 55 HG13 VAL 55 1.099 -11.649 8.240 421 1HG2 VAL 55 HG21 VAL 55 -1.197 -11.199 9.311 422 2HG2 VAL 55 HG22 VAL 55 -1.466 -12.943 9.336 423 3HG2 VAL 55 HG23 VAL 55 -2.632 -11.882 8.548 424 H LEU 56 HN LEU 56 0.171 -9.150 5.274 425 HA LEU 56 HA LEU 56 0.707 -10.863 2.983 426 1HB LEU 56 HB2 LEU 56 1.198 -7.911 3.364 427 2HB LEU 56 HB1 LEU 56 1.454 -8.797 1.884 428 HG LEU 56 HG LEU 56 -1.228 -8.301 3.182 429 1HD1 LEU 56 HD11 LEU 56 -1.640 -6.898 1.223 430 2HD1 LEU 56 HD12 LEU 56 0.014 -7.179 0.676 431 3HD1 LEU 56 HD13 LEU 56 -0.284 -6.303 2.178 432 1HD2 LEU 56 HD21 LEU 56 -1.159 -10.453 2.027 433 2HD2 LEU 56 HD22 LEU 56 -0.534 -9.662 0.579 434 3HD2 LEU 56 HD23 LEU 56 -2.162 -9.296 1.151 435 HA PRO 57 HA PRO 57 4.666 -11.309 5.054 436 1HB PRO 57 HB2 PRO 57 5.085 -13.321 2.958 437 2HB PRO 57 HB1 PRO 57 5.106 -13.532 4.716 438 1HG PRO 57 HG2 PRO 57 3.117 -14.523 3.213 439 2HG PRO 57 HG1 PRO 57 2.809 -13.846 4.826 440 1HD PRO 57 HD2 PRO 57 2.430 -12.588 2.135 441 2HD PRO 57 HD1 PRO 57 1.338 -12.593 3.540 442 H ILE 58 HN ILE 58 6.878 -11.216 4.195 443 HA ILE 58 HA ILE 58 7.054 -9.081 2.375 444 HB ILE 58 HB ILE 58 9.101 -10.706 3.897 445 1HG1 ILE 58 HG12 ILE 58 9.646 -8.514 4.914 446 2HG1 ILE 58 HG11 ILE 58 8.417 -7.762 3.914 447 1HG2 ILE 58 HG21 ILE 58 10.199 -10.291 1.785 448 2HG2 ILE 58 HG22 ILE 58 10.926 -9.323 3.071 449 3HG2 ILE 58 HG23 ILE 58 9.833 -8.573 1.909 450 1HD1 ILE 58 HD11 ILE 58 6.702 -9.077 5.059 451 2HD1 ILE 58 HD12 ILE 58 7.645 -8.096 6.184 452 3HD1 ILE 58 HD13 ILE 58 7.952 -9.827 6.054 453 H ARG 59 HN ARG 59 6.936 -12.359 1.947 454 HA ARG 59 HA ARG 59 8.313 -12.664 -0.513 455 1HB ARG 59 HB2 ARG 59 5.945 -14.266 0.512 456 2HB ARG 59 HB1 ARG 59 6.910 -14.698 -0.885 457 1HG ARG 59 HG2 ARG 59 7.694 -16.082 0.820 458 2HG ARG 59 HG1 ARG 59 8.893 -14.793 0.733 459 1HD ARG 59 HD2 ARG 59 7.747 -13.674 2.627 460 2HD ARG 59 HD1 ARG 59 6.649 -15.041 2.737 461 HE ARG 59 HE ARG 59 9.483 -15.588 2.905 462 1HH1 ARG 59 HH11 ARG 59 6.378 -15.298 4.573 463 2HH1 ARG 59 HH12 ARG 59 6.950 -15.787 6.098 464 1HH2 ARG 59 HH21 ARG 59 10.310 -16.284 5.032 465 2HH2 ARG 59 HH22 ARG 59 9.246 -16.308 6.362 466 H GLU 60 HN GLU 60 5.227 -11.348 0.326 467 HA GLU 60 HA GLU 60 4.409 -11.083 -2.477 468 1HB GLU 60 HB2 GLU 60 2.997 -10.247 0.073 469 2HB GLU 60 HB1 GLU 60 2.323 -10.172 -1.544 470 1HG GLU 60 HG2 GLU 60 3.050 -12.659 -0.018 471 2HG GLU 60 HG1 GLU 60 1.427 -12.048 -0.324 472 H VAL 61 HN VAL 61 5.235 -9.282 0.396 473 HA VAL 61 HA VAL 61 4.801 -6.693 -0.450 474 HB VAL 61 HB VAL 61 6.825 -7.710 1.573 475 1HG1 VAL 61 HG11 VAL 61 5.771 -4.909 1.205 476 2HG1 VAL 61 HG12 VAL 61 7.417 -5.450 0.875 477 3HG1 VAL 61 HG13 VAL 61 6.793 -5.477 2.526 478 1HG2 VAL 61 HG21 VAL 61 4.533 -8.300 2.098 479 2HG2 VAL 61 HG22 VAL 61 4.037 -6.620 1.907 480 3HG2 VAL 61 HG23 VAL 61 5.132 -7.075 3.215 481 H ARG 62 HN ARG 62 7.653 -8.697 -1.053 482 HA ARG 62 HA ARG 62 9.281 -6.542 -1.898 483 1HB ARG 62 HB2 ARG 62 9.572 -9.483 -2.453 484 2HB ARG 62 HB1 ARG 62 10.780 -8.284 -2.895 485 1HG ARG 62 HG2 ARG 62 11.039 -7.656 -0.584 486 2HG ARG 62 HG1 ARG 62 9.775 -8.784 -0.116 487 1HD ARG 62 HD2 ARG 62 11.693 -9.987 0.363 488 2HD ARG 62 HD1 ARG 62 11.251 -10.579 -1.233 489 HE ARG 62 HE ARG 62 13.183 -8.419 -1.083 490 1HH1 ARG 62 HH11 ARG 62 12.544 -11.811 -1.861 491 2HH1 ARG 62 HH12 ARG 62 14.164 -12.217 -2.141 492 1HH2 ARG 62 HH21 ARG 62 15.417 -8.928 -1.509 493 2HH2 ARG 62 HH22 ARG 62 15.870 -10.503 -1.966 494 H GLN 63 HN GLN 63 6.637 -7.861 -3.525 495 HA GLN 63 HA GLN 63 7.773 -6.969 -6.073 496 1HB GLN 63 HB2 GLN 63 5.323 -8.689 -5.636 497 2HB GLN 63 HB1 GLN 63 5.840 -8.075 -7.193 498 1HG GLN 63 HG2 GLN 63 6.603 -10.245 -7.195 499 2HG GLN 63 HG1 GLN 63 8.028 -9.331 -6.717 500 1HE2 GLN 63 HE21 GLN 63 5.280 -10.071 -4.664 501 2HE2 GLN 63 HE22 GLN 63 6.173 -11.116 -3.610 502 H LEU 64 HN LEU 64 6.193 -5.671 -3.637 503 HA LEU 64 HA LEU 64 4.050 -4.379 -4.996 504 1HB LEU 64 HB2 LEU 64 5.495 -3.555 -2.472 505 2HB LEU 64 HB1 LEU 64 3.980 -2.881 -3.037 506 HG LEU 64 HG LEU 64 4.431 -5.721 -2.141 507 1HD1 LEU 64 HD11 LEU 64 2.939 -3.454 -0.846 508 2HD1 LEU 64 HD12 LEU 64 4.452 -4.174 -0.293 509 3HD1 LEU 64 HD13 LEU 64 2.967 -5.123 -0.272 510 1HD2 LEU 64 HD21 LEU 64 2.747 -5.617 -3.901 511 2HD2 LEU 64 HD22 LEU 64 1.894 -4.345 -3.024 512 3HD2 LEU 64 HD23 LEU 64 1.997 -5.969 -2.344 513 H THR 65 HN THR 65 4.407 -3.135 -6.694 514 HA THR 65 HA THR 65 6.932 -1.966 -7.277 515 HB THR 65 HB THR 65 5.682 -1.337 -9.364 516 HG1 THR 65 HG1 THR 65 3.596 -1.343 -9.126 517 1HG2 THR 65 HG21 THR 65 5.416 -4.151 -8.391 518 2HG2 THR 65 HG22 THR 65 6.887 -3.463 -9.090 519 3HG2 THR 65 HG23 THR 65 5.425 -3.659 -10.090 520 H LEU 66 HN LEU 66 5.804 -0.777 -5.048 521 HA LEU 66 HA LEU 66 5.549 1.170 -4.027 522 1HB LEU 66 HB2 LEU 66 7.455 1.720 -5.697 523 2HB LEU 66 HB1 LEU 66 6.244 2.637 -6.561 524 HG LEU 66 HG LEU 66 7.663 4.026 -5.089 525 1HD1 LEU 66 HD11 LEU 66 4.783 3.902 -4.250 526 2HD1 LEU 66 HD12 LEU 66 5.419 4.774 -5.643 527 3HD1 LEU 66 HD13 LEU 66 5.868 5.275 -4.009 528 1HD2 LEU 66 HD21 LEU 66 7.385 3.863 -2.659 529 2HD2 LEU 66 HD22 LEU 66 8.069 2.387 -3.345 530 3HD2 LEU 66 HD23 LEU 66 6.368 2.438 -2.881 531 H ARG 67 HN ARG 67 4.203 1.718 -7.294 532 HA ARG 67 HA ARG 67 2.037 3.179 -6.091 533 1HB ARG 67 HB2 ARG 67 2.597 2.398 -8.926 534 2HB ARG 67 HB1 ARG 67 1.039 3.077 -8.464 535 1HG ARG 67 HG2 ARG 67 3.701 4.388 -7.989 536 2HG ARG 67 HG1 ARG 67 2.594 4.771 -9.311 537 1HD ARG 67 HD2 ARG 67 0.858 5.352 -7.633 538 2HD ARG 67 HD1 ARG 67 2.014 5.000 -6.379 539 HE ARG 67 HE ARG 67 2.931 7.015 -6.611 540 1HH1 ARG 67 HH11 ARG 67 1.210 6.436 -9.737 541 2HH1 ARG 67 HH12 ARG 67 1.617 7.979 -10.326 542 1HH2 ARG 67 HH21 ARG 67 3.390 9.167 -7.544 543 2HH2 ARG 67 HH22 ARG 67 2.869 9.464 -9.143 544 H LYS 68 HN LYS 68 2.677 -0.008 -6.759 545 HA LYS 68 HA LYS 68 0.025 -0.995 -6.785 546 1HB LYS 68 HB2 LYS 68 2.029 -2.250 -7.490 547 2HB LYS 68 HB1 LYS 68 2.542 -2.332 -5.817 548 1HG LYS 68 HG2 LYS 68 0.692 -3.728 -5.233 549 2HG LYS 68 HG1 LYS 68 -0.042 -3.502 -6.822 550 1HD LYS 68 HD2 LYS 68 2.630 -4.752 -6.344 551 2HD LYS 68 HD1 LYS 68 1.141 -5.695 -6.536 552 1HE LYS 68 HE2 LYS 68 2.440 -3.868 -8.601 553 2HE LYS 68 HE1 LYS 68 2.367 -5.621 -8.646 554 1HZ LYS 68 HZ1 LYS 68 -0.065 -3.875 -8.746 555 2HZ LYS 68 HZ2 LYS 68 -0.014 -5.534 -8.983 556 3HZ LYS 68 HZ3 LYS 68 0.707 -4.499 -10.082 557 H LEU 69 HN LEU 69 1.987 0.314 -4.429 558 HA LEU 69 HA LEU 69 0.851 -0.834 -2.065 559 1HB LEU 69 HB2 LEU 69 2.398 1.702 -2.478 560 2HB LEU 69 HB1 LEU 69 1.570 1.447 -0.963 561 HG LEU 69 HG LEU 69 3.875 0.884 -0.716 562 1HD1 LEU 69 HD11 LEU 69 2.194 -1.595 -0.783 563 2HD1 LEU 69 HD12 LEU 69 2.345 -0.444 0.547 564 3HD1 LEU 69 HD13 LEU 69 3.731 -1.418 0.061 565 1HD2 LEU 69 HD21 LEU 69 4.953 -0.922 -1.968 566 2HD2 LEU 69 HD22 LEU 69 4.448 0.394 -3.029 567 3HD2 LEU 69 HD23 LEU 69 3.504 -1.092 -2.957 568 H GLN 70 HN GLN 70 0.008 2.119 -3.837 569 HA GLN 70 HA GLN 70 -2.273 2.558 -2.113 570 1HB GLN 70 HB2 GLN 70 -2.926 4.318 -3.789 571 2HB GLN 70 HB1 GLN 70 -1.334 4.552 -3.083 572 1HG GLN 70 HG2 GLN 70 -0.258 3.801 -5.041 573 2HG GLN 70 HG1 GLN 70 -1.777 3.259 -5.773 574 1HE2 GLN 70 HE21 GLN 70 -1.445 4.537 -7.592 575 2HE2 GLN 70 HE22 GLN 70 -1.604 6.247 -7.560 576 H GLU 71 HN GLU 71 -1.550 1.011 -5.048 577 HA GLU 71 HA GLU 71 -4.072 0.707 -6.170 578 1HB GLU 71 HB2 GLU 71 -1.927 0.412 -7.314 579 2HB GLU 71 HB1 GLU 71 -1.612 -1.010 -6.352 580 1HG GLU 71 HG2 GLU 71 -3.562 -2.080 -7.425 581 2HG GLU 71 HG1 GLU 71 -3.698 -0.656 -8.468 582 H MET 72 HN MET 72 -2.326 -1.293 -3.852 583 HA MET 72 HA MET 72 -4.879 -2.646 -3.366 584 1HB MET 72 HB2 MET 72 -3.698 -4.702 -2.677 585 2HB MET 72 HB1 MET 72 -3.351 -4.287 -4.342 586 1HG MET 72 HG2 MET 72 -1.166 -3.448 -3.692 587 2HG MET 72 HG1 MET 72 -1.525 -3.797 -2.001 588 1HE MET 72 HE1 MET 72 -2.579 -6.013 -5.084 589 2HE MET 72 HE2 MET 72 -1.202 -7.107 -5.228 590 3HE MET 72 HE3 MET 72 -1.007 -5.390 -5.586 591 H SER 73 HN SER 73 -4.068 -0.256 -2.252 592 HA SER 73 HA SER 73 -2.967 -0.404 0.329 593 1HB SER 73 HB2 SER 73 -4.076 1.802 0.644 594 2HB SER 73 HB1 SER 73 -3.251 1.684 -0.905 595 HG SER 73 HG SER 73 -5.102 1.929 -1.898 596 H SER 74 HN SER 74 -6.047 -1.109 -0.979 597 HA SER 74 HA SER 74 -7.814 -2.280 -0.240 598 1HB SER 74 HB2 SER 74 -6.264 -2.608 2.334 599 2HB SER 74 HB1 SER 74 -7.711 -3.515 1.879 600 HG SER 74 HG SER 74 -5.225 -3.483 0.486 601 H LYS 75 HN LYS 75 -7.298 0.682 0.410 602 HA LYS 75 HA LYS 75 -9.355 0.944 2.425 603 1HB LYS 75 HB2 LYS 75 -9.018 3.437 2.127 604 2HB LYS 75 HB1 LYS 75 -7.650 2.549 2.768 605 1HG LYS 75 HG2 LYS 75 -6.625 2.587 0.513 606 2HG LYS 75 HG1 LYS 75 -7.982 3.577 -0.042 607 1HD LYS 75 HD2 LYS 75 -7.416 5.342 1.421 608 2HD LYS 75 HD1 LYS 75 -6.279 4.333 2.310 609 1HE LYS 75 HE2 LYS 75 -5.047 5.835 0.935 610 2HE LYS 75 HE1 LYS 75 -4.873 4.212 0.295 611 1HZ LYS 75 HZ1 LYS 75 -6.715 6.283 -0.797 612 2HZ LYS 75 HZ2 LYS 75 -6.390 4.757 -1.494 613 3HZ LYS 75 HZ3 LYS 75 -5.175 5.921 -1.359 614 H ALA 76 HN ALA 76 -11.373 1.562 2.097 615 HA ALA 76 HA ALA 76 -12.291 1.050 -0.589 616 1HB ALA 76 HB1 ALA 76 -13.249 -0.186 1.291 617 2HB ALA 76 HB2 ALA 76 -14.471 0.765 0.444 618 3HB ALA 76 HB3 ALA 76 -13.828 1.329 1.986 619 H GLY 77 HN GLY 77 -14.579 2.302 -0.873 620 1HA GLY 77 HA2 GLY 77 -15.483 4.590 -0.570 621 2HA GLY 77 HA1 GLY 77 -13.841 5.148 -0.891 622 H SER 78 HN SER 78 -16.766 4.697 -2.298 623 HA SER 78 HA SER 78 -15.558 4.693 -4.929 624 1HB SER 78 HB2 SER 78 -17.292 3.023 -5.687 625 2HB SER 78 HB1 SER 78 -16.041 2.370 -4.632 626 HG SER 78 HG SER 78 -17.720 2.998 -2.915 627 H ASP 79 HN ASP 79 -17.361 5.155 -6.589 628 HA ASP 79 HA ASP 79 -18.875 7.435 -5.657 629 1HB ASP 79 HB2 ASP 79 -17.579 7.410 -7.812 630 2HB ASP 79 HB1 ASP 79 -18.692 6.200 -8.424 631 H THR 80 HN THR 80 -19.915 5.544 -4.295 632 HA THR 80 HA THR 80 -21.791 4.522 -3.626 633 HB THR 80 HB THR 80 -23.067 5.651 -6.138 634 HG1 THR 80 HG1 THR 80 -22.228 6.697 -3.802 635 1HG2 THR 80 HG21 THR 80 -25.201 5.325 -4.935 636 2HG2 THR 80 HG22 THR 80 -24.335 4.574 -3.594 637 3HG2 THR 80 HG23 THR 80 -24.378 3.785 -5.172 638 H GLU 81 HN GLU 81 -21.536 4.034 -7.123 639 HA GLU 81 HA GLU 81 -21.122 1.227 -6.675 640 1HB GLU 81 HB2 GLU 81 -22.762 0.592 -8.431 641 2HB GLU 81 HB1 GLU 81 -23.539 1.296 -7.026 642 1HG GLU 81 HG2 GLU 81 -23.831 3.390 -8.216 643 2HG GLU 81 HG1 GLU 81 -22.973 2.732 -9.610 644 H LEU 82 HN LEU 82 -20.327 0.251 -8.810 645 HA LEU 82 HA LEU 82 -18.828 2.390 -10.117 646 1HB LEU 82 HB2 LEU 82 -17.404 0.891 -8.777 647 2HB LEU 82 HB1 LEU 82 -17.963 -0.477 -9.716 648 HG LEU 82 HG LEU 82 -16.902 0.487 -11.728 649 1HD1 LEU 82 HD11 LEU 82 -15.852 2.578 -9.824 650 2HD1 LEU 82 HD12 LEU 82 -17.005 2.843 -11.132 651 3HD1 LEU 82 HD13 LEU 82 -15.348 2.365 -11.501 652 1HD2 LEU 82 HD21 LEU 82 -15.694 -1.125 -10.361 653 2HD2 LEU 82 HD22 LEU 82 -15.070 0.182 -9.355 654 3HD2 LEU 82 HD23 LEU 82 -14.589 0.066 -11.049 655 H ALA 83 HN ALA 83 -20.424 2.733 -11.600 656 HA ALA 83 HA ALA 83 -20.188 1.292 -13.997 657 1HB ALA 83 HB1 ALA 83 -22.566 0.648 -14.203 658 2HB ALA 83 HB2 ALA 83 -22.839 1.126 -12.528 659 3HB ALA 83 HB3 ALA 83 -21.781 -0.236 -12.894 660 H ALA 84 HN ALA 84 -21.781 2.366 -15.587 661 HA ALA 84 HA ALA 84 -22.343 5.100 -14.720 662 1HB ALA 84 HB1 ALA 84 -21.350 4.141 -17.421 663 2HB ALA 84 HB2 ALA 84 -20.410 5.060 -16.246 664 3HB ALA 84 HB3 ALA 84 -21.807 5.799 -17.031 665 HA PRO 85 HA PRO 85 -26.488 4.197 -16.047 666 1HB PRO 85 HB2 PRO 85 -26.519 6.869 -17.351 667 2HB PRO 85 HB1 PRO 85 -27.597 6.217 -16.113 668 1HG PRO 85 HG2 PRO 85 -25.775 8.062 -15.496 669 2HG PRO 85 HG1 PRO 85 -26.137 6.726 -14.384 670 1HD PRO 85 HD2 PRO 85 -23.814 7.071 -16.240 671 2HD PRO 85 HD1 PRO 85 -23.851 6.438 -14.579 672 H LYS 86 HN LYS 86 -26.771 2.820 -17.685 673 HA LYS 86 HA LYS 86 -25.554 3.337 -20.280 674 1HB LYS 86 HB2 LYS 86 -27.086 0.935 -19.246 675 2HB LYS 86 HB1 LYS 86 -26.291 1.042 -20.808 676 1HG LYS 86 HG2 LYS 86 -24.131 1.196 -19.725 677 2HG LYS 86 HG1 LYS 86 -24.912 1.172 -18.140 678 1HD LYS 86 HD2 LYS 86 -25.768 -1.061 -18.575 679 2HD LYS 86 HD1 LYS 86 -25.070 -1.030 -20.197 680 1HE LYS 86 HE2 LYS 86 -23.691 -2.304 -18.601 681 2HE LYS 86 HE1 LYS 86 -22.838 -0.914 -19.267 682 1HZ LYS 86 HZ1 LYS 86 -24.152 -0.986 -16.585 683 2HZ LYS 86 HZ2 LYS 86 -23.226 0.292 -17.252 684 3HZ LYS 86 HZ3 LYS 86 -22.495 -1.153 -16.889 685 H SER 87 HN SER 87 -28.675 2.504 -18.849 686 HA SER 87 HA SER 87 -29.949 3.378 -21.270 687 1HB SER 87 HB2 SER 87 -32.030 2.490 -19.987 688 2HB SER 87 HB1 SER 87 -30.860 1.338 -20.625 689 HG SER 87 HG SER 87 -30.213 0.853 -18.677 690 H LYS 88 HN LYS 88 -29.816 5.523 -21.292 691 HA LYS 88 HA LYS 88 -31.292 6.931 -19.172 692 1HB LYS 88 HB2 LYS 88 -29.269 8.032 -21.147 693 2HB LYS 88 HB1 LYS 88 -30.179 9.008 -20.003 694 1HG LYS 88 HG2 LYS 88 -29.109 7.770 -18.149 695 2HG LYS 88 HG1 LYS 88 -28.143 6.888 -19.331 696 1HD LYS 88 HD2 LYS 88 -26.850 8.719 -18.401 697 2HD LYS 88 HD1 LYS 88 -27.180 9.024 -20.104 698 1HE LYS 88 HE2 LYS 88 -29.033 10.511 -19.466 699 2HE LYS 88 HE1 LYS 88 -28.683 10.212 -17.768 700 1HZ LYS 88 HZ1 LYS 88 -26.518 11.269 -18.052 701 2HZ LYS 88 HZ2 LYS 88 -27.756 12.301 -18.572 702 3HZ LYS 88 HZ3 LYS 88 -26.822 11.461 -19.710 703 H ASN 89 HN ASN 89 -31.528 5.603 -22.058 704 HA ASN 89 HA ASN 89 -33.408 7.515 -23.197 705 1HB ASN 89 HB2 ASN 89 -31.729 6.469 -24.703 706 2HB ASN 89 HB1 ASN 89 -32.349 4.882 -24.266 707 1HD2 ASN 89 HD21 ASN 89 -34.150 7.846 -24.944 708 2HD2 ASN 89 HD22 ASN 89 -34.998 7.197 -26.310 Start of MODEL 7 1 1H GLY 1 HT1 GLY 1 -11.030 4.089 17.553 2 2H GLY 1 HT2 GLY 1 -11.885 4.745 18.895 3 3H GLY 1 HT3 GLY 1 -10.474 5.464 18.338 4 1HA GLY 1 HA1 GLY 1 -12.924 5.282 16.730 5 2HA GLY 1 HA2 GLY 1 -12.414 6.696 17.650 6 H ASP 2 HN ASP 2 -12.754 7.034 15.017 7 HA ASP 2 HA ASP 2 -10.082 6.811 13.836 8 1HB ASP 2 HB2 ASP 2 -12.013 5.958 12.499 9 2HB ASP 2 HB1 ASP 2 -12.683 7.583 12.488 10 H GLY 3 HN GLY 3 -9.083 8.447 14.918 11 1HA GLY 3 HA2 GLY 3 -10.077 11.174 14.394 12 2HA GLY 3 HA1 GLY 3 -8.942 10.729 15.674 13 H GLU 4 HN GLU 4 -7.272 9.089 14.380 14 HA GLU 4 HA GLU 4 -5.849 10.860 12.570 15 1HB GLU 4 HB2 GLU 4 -5.073 8.157 13.707 16 2HB GLU 4 HB1 GLU 4 -4.028 9.221 12.779 17 1HG GLU 4 HG2 GLU 4 -4.172 10.895 14.574 18 2HG GLU 4 HG1 GLU 4 -5.170 9.777 15.504 19 H ALA 5 HN ALA 5 -6.995 10.755 10.745 20 HA ALA 5 HA ALA 5 -8.277 8.526 9.657 21 1HB ALA 5 HB1 ALA 5 -8.436 9.842 7.619 22 2HB ALA 5 HB2 ALA 5 -7.234 10.972 8.243 23 3HB ALA 5 HB3 ALA 5 -8.803 10.826 9.035 24 H GLN 6 HN GLN 6 -7.682 6.998 8.253 25 HA GLN 6 HA GLN 6 -4.960 6.247 8.083 26 1HB GLN 6 HB2 GLN 6 -6.819 4.614 8.027 27 2HB GLN 6 HB1 GLN 6 -7.304 5.236 6.455 28 1HG GLN 6 HG2 GLN 6 -5.064 4.571 5.581 29 2HG GLN 6 HG1 GLN 6 -4.744 3.804 7.131 30 1HE2 GLN 6 HE21 GLN 6 -5.952 1.994 7.698 31 2HE2 GLN 6 HE22 GLN 6 -6.740 1.016 6.496 32 H ARG 7 HN ARG 7 -3.528 7.162 6.868 33 HA ARG 7 HA ARG 7 -4.162 8.762 4.600 34 1HB ARG 7 HB2 ARG 7 -1.810 9.133 4.420 35 2HB ARG 7 HB1 ARG 7 -2.179 9.091 6.133 36 1HG ARG 7 HG2 ARG 7 -1.428 6.658 6.085 37 2HG ARG 7 HG1 ARG 7 -0.780 7.001 4.478 38 1HD ARG 7 HD2 ARG 7 -0.014 8.276 7.094 39 2HD ARG 7 HD1 ARG 7 0.993 7.295 6.034 40 HE ARG 7 HE ARG 7 0.035 9.615 4.707 41 1HH1 ARG 7 HH11 ARG 7 2.641 8.461 6.832 42 2HH1 ARG 7 HH12 ARG 7 3.500 9.935 6.710 43 1HH2 ARG 7 HH21 ARG 7 1.254 11.505 4.538 44 2HH2 ARG 7 HH22 ARG 7 2.755 11.664 5.384 45 H ASP 8 HN ASP 8 -3.208 8.283 2.469 46 HA ASP 8 HA ASP 8 -4.082 5.737 1.542 47 1HB ASP 8 HB2 ASP 8 -2.231 7.612 0.053 48 2HB ASP 8 HB1 ASP 8 -3.262 6.365 -0.641 49 H LEU 9 HN LEU 9 -2.801 4.072 0.598 50 HA LEU 9 HA LEU 9 -0.826 3.236 2.369 51 1HB LEU 9 HB2 LEU 9 -2.039 2.168 -0.076 52 2HB LEU 9 HB1 LEU 9 -0.445 1.550 0.306 53 HG LEU 9 HG LEU 9 -2.396 0.199 1.154 54 1HD1 LEU 9 HD11 LEU 9 -0.146 -0.071 2.020 55 2HD1 LEU 9 HD12 LEU 9 -1.329 -0.222 3.322 56 3HD1 LEU 9 HD13 LEU 9 -0.399 1.268 3.143 57 1HD2 LEU 9 HD21 LEU 9 -3.445 0.936 3.246 58 2HD2 LEU 9 HD22 LEU 9 -3.815 2.035 1.917 59 3HD2 LEU 9 HD23 LEU 9 -2.602 2.481 3.118 60 H VAL 10 HN VAL 10 -0.474 4.445 -0.907 61 HA VAL 10 HA VAL 10 2.335 4.141 -0.792 62 HB VAL 10 HB VAL 10 0.611 5.729 -2.724 63 1HG1 VAL 10 HG11 VAL 10 2.606 6.110 -4.095 64 2HG1 VAL 10 HG12 VAL 10 3.615 5.388 -2.841 65 3HG1 VAL 10 HG13 VAL 10 2.772 6.905 -2.529 66 1HG2 VAL 10 HG21 VAL 10 0.518 3.332 -2.954 67 2HG2 VAL 10 HG22 VAL 10 2.278 3.235 -2.978 68 3HG2 VAL 10 HG23 VAL 10 1.417 4.014 -4.302 69 H LYS 11 HN LYS 11 0.265 6.586 0.413 70 HA LYS 11 HA LYS 11 2.261 8.636 0.550 71 1HB LYS 11 HB2 LYS 11 -0.185 8.381 2.311 72 2HB LYS 11 HB1 LYS 11 0.701 9.848 1.923 73 1HG LYS 11 HG2 LYS 11 -0.930 8.212 -0.017 74 2HG LYS 11 HG1 LYS 11 -1.444 9.707 0.747 75 1HD LYS 11 HD2 LYS 11 0.260 10.942 -0.429 76 2HD LYS 11 HD1 LYS 11 0.946 9.450 -1.073 77 1HE LYS 11 HE2 LYS 11 -0.443 10.631 -2.739 78 2HE LYS 11 HE1 LYS 11 -1.068 9.031 -2.361 79 1HZ LYS 11 HZ1 LYS 11 -2.760 10.094 -0.926 80 2HZ LYS 11 HZ2 LYS 11 -2.847 10.605 -2.495 81 3HZ LYS 11 HZ3 LYS 11 -2.148 11.622 -1.325 82 H ALA 12 HN ALA 12 1.443 5.856 2.403 83 HA ALA 12 HA ALA 12 3.037 6.668 4.703 84 1HB ALA 12 HB1 ALA 12 0.885 5.568 5.095 85 2HB ALA 12 HB2 ALA 12 2.226 4.620 5.736 86 3HB ALA 12 HB3 ALA 12 1.456 4.145 4.224 87 H VAL 13 HN VAL 13 2.954 4.118 2.239 88 HA VAL 13 HA VAL 13 5.328 2.838 3.138 89 HB VAL 13 HB VAL 13 3.880 2.590 0.480 90 1HG1 VAL 13 HG11 VAL 13 6.213 1.892 0.249 91 2HG1 VAL 13 HG12 VAL 13 5.125 0.506 0.154 92 3HG1 VAL 13 HG13 VAL 13 6.033 0.812 1.634 93 1HG2 VAL 13 HG21 VAL 13 3.851 0.830 2.935 94 2HG2 VAL 13 HG22 VAL 13 3.009 0.501 1.419 95 3HG2 VAL 13 HG23 VAL 13 2.548 1.892 2.401 96 H ALA 14 HN ALA 14 4.691 5.079 0.432 97 HA ALA 14 HA ALA 14 7.370 4.974 -0.500 98 1HB ALA 14 HB1 ALA 14 5.256 7.064 -1.070 99 2HB ALA 14 HB2 ALA 14 5.435 5.563 -1.946 100 3HB ALA 14 HB3 ALA 14 6.715 6.775 -2.024 101 H HIS 15 HN HIS 15 5.780 6.636 1.962 102 HA HIS 15 HA HIS 15 7.450 8.865 2.414 103 1HB HIS 15 HB2 HIS 15 5.302 8.648 3.538 104 2HB HIS 15 HB1 HIS 15 5.815 7.171 4.328 105 HD1 HIS 15 HD1 HIS 15 6.396 7.507 6.720 106 HD2 HIS 15 HD2 HIS 15 7.039 10.954 4.470 107 HE1 HIS 15 HE1 HIS 15 7.147 9.256 8.353 108 HE2 HIS 15 HE2 HIS 15 7.297 11.380 7.001 109 H ILE 16 HN ILE 16 7.845 5.475 3.052 110 HA ILE 16 HA ILE 16 10.065 5.813 4.844 111 HB ILE 16 HB ILE 16 8.945 3.345 3.484 112 1HG1 ILE 16 HG12 ILE 16 7.421 4.305 5.122 113 2HG1 ILE 16 HG11 ILE 16 8.081 2.787 5.729 114 1HG2 ILE 16 HG21 ILE 16 10.308 2.018 5.034 115 2HG2 ILE 16 HG22 ILE 16 11.079 3.498 5.613 116 3HG2 ILE 16 HG23 ILE 16 11.291 2.987 3.936 117 1HD1 ILE 16 HD11 ILE 16 8.969 5.557 6.521 118 2HD1 ILE 16 HD12 ILE 16 9.644 4.049 7.133 119 3HD1 ILE 16 HD13 ILE 16 7.966 4.470 7.482 120 H LEU 17 HN LEU 17 9.595 4.903 1.412 121 HA LEU 17 HA LEU 17 12.314 4.427 0.910 122 1HB LEU 17 HB2 LEU 17 9.885 4.889 -0.771 123 2HB LEU 17 HB1 LEU 17 11.465 4.679 -1.482 124 HG LEU 17 HG LEU 17 10.082 2.715 -1.569 125 1HD1 LEU 17 HD11 LEU 17 12.535 2.403 0.157 126 2HD1 LEU 17 HD12 LEU 17 12.479 2.428 -1.606 127 3HD1 LEU 17 HD13 LEU 17 11.756 1.085 -0.716 128 1HD2 LEU 17 HD21 LEU 17 8.803 2.851 0.468 129 2HD2 LEU 17 HD22 LEU 17 10.256 2.636 1.439 130 3HD2 LEU 17 HD23 LEU 17 9.666 1.313 0.431 131 H GLY 18 HN GLY 18 10.271 7.241 0.829 132 1HA GLY 18 HA2 GLY 18 11.143 9.444 0.990 133 2HA GLY 18 HA1 GLY 18 12.619 8.889 0.203 134 H ILE 19 HN ILE 19 9.236 8.454 -0.674 135 HA ILE 19 HA ILE 19 9.520 10.117 -3.007 136 HB ILE 19 HB ILE 19 8.205 8.075 -4.126 137 1HG1 ILE 19 HG12 ILE 19 10.182 6.784 -2.235 138 2HG1 ILE 19 HG11 ILE 19 8.451 6.505 -2.340 139 1HG2 ILE 19 HG21 ILE 19 10.278 7.526 -5.337 140 2HG2 ILE 19 HG22 ILE 19 11.170 8.531 -4.184 141 3HG2 ILE 19 HG23 ILE 19 9.920 9.242 -5.223 142 1HD1 ILE 19 HD11 ILE 19 9.701 4.643 -3.251 143 2HD1 ILE 19 HD12 ILE 19 10.521 5.721 -4.379 144 3HD1 ILE 19 HD13 ILE 19 8.786 5.445 -4.530 145 H ARG 20 HN ARG 20 7.409 10.374 -4.066 146 HA ARG 20 HA ARG 20 5.105 9.845 -2.337 147 1HB ARG 20 HB2 ARG 20 6.181 12.047 -1.710 148 2HB ARG 20 HB1 ARG 20 5.830 12.568 -3.354 149 1HG ARG 20 HG2 ARG 20 4.107 13.463 -2.034 150 2HG ARG 20 HG1 ARG 20 3.427 12.048 -2.848 151 1HD ARG 20 HD2 ARG 20 3.718 10.712 -0.867 152 2HD ARG 20 HD1 ARG 20 4.486 12.066 -0.035 153 HE ARG 20 HE ARG 20 1.735 12.258 -1.037 154 1HH1 ARG 20 HH11 ARG 20 4.040 12.593 1.695 155 2HH1 ARG 20 HH12 ARG 20 2.850 13.210 2.730 156 1HH2 ARG 20 HH21 ARG 20 0.167 13.004 0.435 157 2HH2 ARG 20 HH22 ARG 20 0.574 13.437 2.025 158 H ASP 21 HN ASP 21 6.089 11.837 -5.083 159 HA ASP 21 HA ASP 21 3.718 11.135 -6.624 160 1HB ASP 21 HB2 ASP 21 6.039 12.944 -7.259 161 2HB ASP 21 HB1 ASP 21 4.671 12.664 -8.327 162 H LEU 22 HN LEU 22 7.042 10.333 -6.471 163 HA LEU 22 HA LEU 22 8.234 8.712 -7.464 164 1HB LEU 22 HB2 LEU 22 5.497 7.820 -8.291 165 2HB LEU 22 HB1 LEU 22 6.893 7.064 -9.020 166 HG LEU 22 HG LEU 22 6.081 5.732 -7.195 167 1HD1 LEU 22 HD11 LEU 22 8.671 7.117 -6.632 168 2HD1 LEU 22 HD12 LEU 22 8.426 5.750 -7.696 169 3HD1 LEU 22 HD13 LEU 22 8.186 5.564 -5.949 170 1HD2 LEU 22 HD21 LEU 22 6.629 8.139 -5.439 171 2HD2 LEU 22 HD22 LEU 22 6.195 6.532 -4.864 172 3HD2 LEU 22 HD23 LEU 22 5.042 7.474 -5.806 173 H ALA 23 HN ALA 23 7.449 11.275 -8.685 174 HA ALA 23 HA ALA 23 7.404 10.879 -11.452 175 1HB ALA 23 HB1 ALA 23 6.438 12.869 -10.460 176 2HB ALA 23 HB2 ALA 23 7.688 13.315 -11.622 177 3HB ALA 23 HB3 ALA 23 8.027 13.388 -9.892 178 H GLY 24 HN GLY 24 9.156 9.703 -12.058 179 1HA GLY 24 HA2 GLY 24 11.397 10.264 -13.126 180 2HA GLY 24 HA1 GLY 24 11.765 10.872 -11.503 181 H ILE 25 HN ILE 25 10.027 8.480 -10.615 182 HA ILE 25 HA ILE 25 12.379 6.786 -10.372 183 HB ILE 25 HB ILE 25 9.881 6.883 -8.627 184 1HG1 ILE 25 HG12 ILE 25 11.542 7.443 -6.802 185 2HG1 ILE 25 HG11 ILE 25 12.759 7.632 -8.048 186 1HG2 ILE 25 HG21 ILE 25 12.266 5.052 -8.361 187 2HG2 ILE 25 HG22 ILE 25 10.630 4.582 -8.804 188 3HG2 ILE 25 HG23 ILE 25 10.956 5.208 -7.187 189 1HD1 ILE 25 HD11 ILE 25 11.469 9.483 -9.003 190 2HD1 ILE 25 HD12 ILE 25 11.890 9.772 -7.316 191 3HD1 ILE 25 HD13 ILE 25 10.255 9.276 -7.743 192 H ASN 26 HN ASN 26 12.377 4.811 -11.011 193 HA ASN 26 HA ASN 26 10.534 4.045 -13.043 194 1HB ASN 26 HB2 ASN 26 12.925 3.498 -13.161 195 2HB ASN 26 HB1 ASN 26 12.770 2.493 -11.726 196 1HD2 ASN 26 HD21 ASN 26 12.169 2.772 -15.086 197 2HD2 ASN 26 HD22 ASN 26 11.668 1.138 -15.353 198 H LEU 27 HN LEU 27 8.619 3.188 -12.658 199 HA LEU 27 HA LEU 27 8.033 1.895 -10.084 200 1HB LEU 27 HB2 LEU 27 6.256 2.850 -12.322 201 2HB LEU 27 HB1 LEU 27 5.674 2.019 -10.891 202 HG LEU 27 HG LEU 27 7.088 4.688 -10.906 203 1HD1 LEU 27 HD11 LEU 27 4.204 3.991 -10.413 204 2HD1 LEU 27 HD12 LEU 27 4.837 4.807 -11.845 205 3HD1 LEU 27 HD13 LEU 27 4.920 5.594 -10.271 206 1HD2 LEU 27 HD21 LEU 27 5.825 3.110 -8.674 207 2HD2 LEU 27 HD22 LEU 27 6.422 4.763 -8.549 208 3HD2 LEU 27 HD23 LEU 27 7.546 3.447 -8.871 209 H ASP 28 HN ASP 28 9.490 0.804 -12.498 210 HA ASP 28 HA ASP 28 7.960 -1.690 -12.673 211 1HB ASP 28 HB2 ASP 28 10.284 -0.700 -14.358 212 2HB ASP 28 HB1 ASP 28 9.488 -2.260 -14.555 213 H SER 29 HN SER 29 9.830 -0.323 -10.639 214 HA SER 29 HA SER 29 11.768 -2.452 -10.326 215 1HB SER 29 HB2 SER 29 11.532 0.245 -8.963 216 2HB SER 29 HB1 SER 29 12.837 -0.919 -8.730 217 HG SER 29 HG SER 29 12.170 0.125 -11.280 218 H SER 30 HN SER 30 10.873 -4.049 -9.266 219 HA SER 30 HA SER 30 8.794 -3.913 -7.386 220 1HB SER 30 HB2 SER 30 10.964 -5.933 -7.882 221 2HB SER 30 HB1 SER 30 9.569 -6.269 -6.883 222 HG SER 30 HG SER 30 9.763 -5.761 -9.659 223 H LEU 31 HN LEU 31 8.928 -4.043 -5.082 224 HA LEU 31 HA LEU 31 11.058 -2.647 -3.899 225 1HB LEU 31 HB2 LEU 31 8.913 -4.306 -2.544 226 2HB LEU 31 HB1 LEU 31 10.213 -3.513 -1.679 227 HG LEU 31 HG LEU 31 9.396 -1.318 -2.411 228 1HD1 LEU 31 HD11 LEU 31 8.353 -1.950 -4.481 229 2HD1 LEU 31 HD12 LEU 31 7.202 -1.110 -3.428 230 3HD1 LEU 31 HD13 LEU 31 7.140 -2.873 -3.599 231 1HD2 LEU 31 HD21 LEU 31 7.312 -3.033 -1.086 232 2HD2 LEU 31 HD22 LEU 31 7.397 -1.273 -1.021 233 3HD2 LEU 31 HD23 LEU 31 8.674 -2.248 -0.284 234 H ALA 32 HN ALA 32 10.823 -5.899 -4.717 235 HA ALA 32 HA ALA 32 12.729 -6.891 -2.913 236 1HB ALA 32 HB1 ALA 32 12.921 -8.832 -4.384 237 2HB ALA 32 HB2 ALA 32 12.126 -7.936 -5.674 238 3HB ALA 32 HB3 ALA 32 11.227 -8.353 -4.219 239 H ASP 33 HN ASP 33 12.913 -5.266 -5.972 240 HA ASP 33 HA ASP 33 15.623 -5.866 -6.476 241 1HB ASP 33 HB2 ASP 33 14.085 -5.145 -8.279 242 2HB ASP 33 HB1 ASP 33 13.977 -3.551 -7.544 243 H LEU 34 HN LEU 34 13.793 -3.414 -4.925 244 HA LEU 34 HA LEU 34 15.793 -1.480 -4.417 245 1HB LEU 34 HB2 LEU 34 13.362 -2.037 -2.731 246 2HB LEU 34 HB1 LEU 34 14.212 -0.517 -2.915 247 HG LEU 34 HG LEU 34 12.584 -1.871 -5.060 248 1HD1 LEU 34 HD11 LEU 34 11.245 -1.100 -3.250 249 2HD1 LEU 34 HD12 LEU 34 10.972 -0.137 -4.707 250 3HD1 LEU 34 HD13 LEU 34 11.941 0.523 -3.367 251 1HD2 LEU 34 HD21 LEU 34 13.883 0.853 -5.011 252 2HD2 LEU 34 HD22 LEU 34 12.807 0.232 -6.269 253 3HD2 LEU 34 HD23 LEU 34 14.378 -0.528 -5.999 254 H GLY 35 HN GLY 35 14.298 -3.982 -2.386 255 1HA GLY 35 HA2 GLY 35 15.664 -5.466 -1.064 256 2HA GLY 35 HA1 GLY 35 16.793 -4.138 -0.830 257 H LEU 36 HN LEU 36 13.575 -5.320 -0.006 258 HA LEU 36 HA LEU 36 13.415 -3.297 2.096 259 1HB LEU 36 HB2 LEU 36 11.106 -3.753 2.285 260 2HB LEU 36 HB1 LEU 36 11.450 -3.640 0.583 261 HG LEU 36 HG LEU 36 11.517 -6.278 0.725 262 1HD1 LEU 36 HD11 LEU 36 11.292 -6.462 3.154 263 2HD1 LEU 36 HD12 LEU 36 9.922 -7.204 2.325 264 3HD1 LEU 36 HD13 LEU 36 9.742 -5.617 3.070 265 1HD2 LEU 36 HD21 LEU 36 9.075 -6.301 0.351 266 2HD2 LEU 36 HD22 LEU 36 10.009 -5.153 -0.608 267 3HD2 LEU 36 HD23 LEU 36 9.085 -4.583 0.805 268 H ASP 37 HN ASP 37 13.218 -3.759 4.139 269 HA ASP 37 HA ASP 37 12.370 -5.753 5.660 270 1HB ASP 37 HB2 ASP 37 14.101 -7.284 6.324 271 2HB ASP 37 HB1 ASP 37 14.095 -7.315 4.571 272 H SER 38 HN SER 38 14.612 -3.394 5.002 273 HA SER 38 HA SER 38 15.910 -2.842 7.368 274 1HB SER 38 HB2 SER 38 14.866 -0.782 5.432 275 2HB SER 38 HB1 SER 38 16.313 -0.678 6.444 276 HG SER 38 HG SER 38 17.189 -2.390 5.322 277 H LEU 39 HN LEU 39 12.667 -2.119 6.484 278 HA LEU 39 HA LEU 39 11.645 -1.661 9.071 279 1HB LEU 39 HB2 LEU 39 12.914 0.438 8.771 280 2HB LEU 39 HB1 LEU 39 11.972 0.789 7.345 281 HG LEU 39 HG LEU 39 9.920 0.732 8.817 282 1HD1 LEU 39 HD11 LEU 39 11.986 0.882 10.994 283 2HD1 LEU 39 HD12 LEU 39 10.854 -0.437 10.705 284 3HD1 LEU 39 HD13 LEU 39 10.253 1.148 11.199 285 1HD2 LEU 39 HD21 LEU 39 10.866 2.752 7.937 286 2HD2 LEU 39 HD22 LEU 39 11.995 2.864 9.293 287 3HD2 LEU 39 HD23 LEU 39 10.251 3.029 9.565 288 H MET 40 HN MET 40 11.590 -0.654 5.801 289 HA MET 40 HA MET 40 9.142 -0.140 4.890 290 1HB MET 40 HB2 MET 40 10.887 -2.221 3.603 291 2HB MET 40 HB1 MET 40 9.703 -1.168 2.823 292 1HG MET 40 HG2 MET 40 11.065 0.728 3.130 293 2HG MET 40 HG1 MET 40 12.143 -0.137 4.226 294 1HE MET 40 HE1 MET 40 14.513 0.458 1.209 295 2HE MET 40 HE2 MET 40 14.305 0.592 2.957 296 3HE MET 40 HE3 MET 40 13.315 1.568 1.874 297 H GLY 41 HN GLY 41 10.218 -3.521 5.036 298 1HA GLY 41 HA2 GLY 41 7.625 -4.493 4.286 299 2HA GLY 41 HA1 GLY 41 8.999 -5.473 4.755 300 H VAL 42 HN VAL 42 8.904 -3.610 7.282 301 HA VAL 42 HA VAL 42 7.158 -5.432 8.745 302 HB VAL 42 HB VAL 42 8.985 -3.271 9.848 303 1HG1 VAL 42 HG11 VAL 42 7.690 -5.627 11.200 304 2HG1 VAL 42 HG12 VAL 42 7.226 -3.938 11.375 305 3HG1 VAL 42 HG13 VAL 42 8.798 -4.486 11.966 306 1HG2 VAL 42 HG21 VAL 42 10.588 -5.064 10.377 307 2HG2 VAL 42 HG22 VAL 42 10.335 -4.888 8.642 308 3HG2 VAL 42 HG23 VAL 42 9.569 -6.215 9.513 309 H GLU 43 HN GLU 43 7.658 -1.996 8.101 310 HA GLU 43 HA GLU 43 5.393 -1.285 9.632 311 1HB GLU 43 HB2 GLU 43 7.281 0.300 9.217 312 2HB GLU 43 HB1 GLU 43 6.762 0.425 7.541 313 1HG GLU 43 HG2 GLU 43 4.729 1.461 8.138 314 2HG GLU 43 HG1 GLU 43 4.947 1.064 9.839 315 H VAL 44 HN VAL 44 5.856 -2.128 6.267 316 HA VAL 44 HA VAL 44 3.305 -1.381 5.290 317 HB VAL 44 HB VAL 44 4.990 -3.817 4.518 318 1HG1 VAL 44 HG11 VAL 44 3.679 -3.887 2.462 319 2HG1 VAL 44 HG12 VAL 44 2.667 -2.571 3.060 320 3HG1 VAL 44 HG13 VAL 44 2.650 -4.140 3.878 321 1HG2 VAL 44 HG21 VAL 44 4.698 -1.133 3.165 322 2HG2 VAL 44 HG22 VAL 44 5.653 -2.504 2.579 323 3HG2 VAL 44 HG23 VAL 44 6.101 -1.699 4.075 324 H ARG 45 HN ARG 45 4.396 -4.275 6.948 325 HA ARG 45 HA ARG 45 1.886 -5.536 7.049 326 1HB ARG 45 HB2 ARG 45 4.445 -5.880 8.545 327 2HB ARG 45 HB1 ARG 45 3.042 -6.804 9.038 328 1HG ARG 45 HG2 ARG 45 2.892 -7.735 6.763 329 2HG ARG 45 HG1 ARG 45 4.319 -6.804 6.308 330 1HD ARG 45 HD2 ARG 45 4.289 -8.817 8.539 331 2HD ARG 45 HD1 ARG 45 4.726 -9.210 6.876 332 HE ARG 45 HE ARG 45 6.380 -7.245 7.294 333 1HH1 ARG 45 HH11 ARG 45 5.502 -9.696 9.724 334 2HH1 ARG 45 HH12 ARG 45 7.082 -9.910 10.307 335 1HH2 ARG 45 HH21 ARG 45 8.621 -7.567 8.131 336 2HH2 ARG 45 HH22 ARG 45 8.880 -8.708 9.361 337 H GLN 46 HN GLN 46 3.468 -3.254 9.200 338 HA GLN 46 HA GLN 46 1.416 -3.421 11.167 339 1HB GLN 46 HB2 GLN 46 3.663 -1.462 10.786 340 2HB GLN 46 HB1 GLN 46 2.494 -1.316 12.094 341 1HG GLN 46 HG2 GLN 46 4.306 -3.668 11.598 342 2HG GLN 46 HG1 GLN 46 4.519 -2.434 12.842 343 1HE2 GLN 46 HE21 GLN 46 2.652 -5.178 11.833 344 2HE2 GLN 46 HE22 GLN 46 1.836 -5.451 13.325 345 H ILE 47 HN ILE 47 1.474 -1.963 8.195 346 HA ILE 47 HA ILE 47 -0.640 -0.111 8.930 347 HB ILE 47 HB ILE 47 0.363 -0.865 6.154 348 1HG1 ILE 47 HG12 ILE 47 0.910 1.652 7.737 349 2HG1 ILE 47 HG11 ILE 47 2.050 0.318 7.580 350 1HG2 ILE 47 HG21 ILE 47 -1.461 1.382 7.042 351 2HG2 ILE 47 HG22 ILE 47 -1.941 -0.053 6.137 352 3HG2 ILE 47 HG23 ILE 47 -0.865 1.134 5.398 353 1HD1 ILE 47 HD11 ILE 47 0.988 2.010 5.327 354 2HD1 ILE 47 HD12 ILE 47 2.149 0.688 5.172 355 3HD1 ILE 47 HD13 ILE 47 2.586 2.144 6.063 356 H LEU 48 HN LEU 48 -0.264 -2.738 6.588 357 HA LEU 48 HA LEU 48 -3.000 -3.039 6.151 358 1HB LEU 48 HB2 LEU 48 -0.701 -4.846 5.526 359 2HB LEU 48 HB1 LEU 48 -2.341 -5.301 5.146 360 HG LEU 48 HG LEU 48 -1.408 -4.478 3.169 361 1HD1 LEU 48 HD11 LEU 48 -2.752 -2.517 2.621 362 2HD1 LEU 48 HD12 LEU 48 -3.084 -2.289 4.338 363 3HD1 LEU 48 HD13 LEU 48 -3.660 -3.740 3.513 364 1HD2 LEU 48 HD21 LEU 48 -0.355 -2.278 2.925 365 2HD2 LEU 48 HD22 LEU 48 0.527 -3.313 4.046 366 3HD2 LEU 48 HD23 LEU 48 -0.507 -2.024 4.663 367 H GLU 49 HN GLU 49 -0.934 -4.982 8.315 368 HA GLU 49 HA GLU 49 -3.136 -6.677 8.950 369 1HB GLU 49 HB2 GLU 49 -0.898 -7.620 9.049 370 2HB GLU 49 HB1 GLU 49 -0.408 -6.429 10.243 371 1HG GLU 49 HG2 GLU 49 -1.927 -7.392 11.866 372 2HG GLU 49 HG1 GLU 49 -2.507 -8.542 10.668 373 H ARG 50 HN ARG 50 -1.801 -3.798 10.349 374 HA ARG 50 HA ARG 50 -3.225 -4.094 12.820 375 1HB ARG 50 HB2 ARG 50 -1.153 -2.755 12.599 376 2HB ARG 50 HB1 ARG 50 -2.026 -1.601 11.603 377 1HG ARG 50 HG2 ARG 50 -3.502 -1.127 13.530 378 2HG ARG 50 HG1 ARG 50 -2.524 -2.226 14.510 379 1HD ARG 50 HD2 ARG 50 -0.539 -0.840 13.998 380 2HD ARG 50 HD1 ARG 50 -1.576 0.281 13.123 381 HE ARG 50 HE ARG 50 -1.922 -0.298 15.984 382 1HH1 ARG 50 HH11 ARG 50 -1.762 2.075 13.302 383 2HH1 ARG 50 HH12 ARG 50 -1.905 3.427 14.302 384 1HH2 ARG 50 HH21 ARG 50 -2.105 1.605 17.367 385 2HH2 ARG 50 HH22 ARG 50 -2.030 3.163 16.673 386 H GLU 51 HN GLU 51 -3.686 -2.205 9.869 387 HA GLU 51 HA GLU 51 -6.075 -0.933 10.743 388 1HB GLU 51 HB2 GLU 51 -4.876 -1.255 8.005 389 2HB GLU 51 HB1 GLU 51 -6.264 -0.247 8.361 390 1HG GLU 51 HG2 GLU 51 -3.512 0.103 9.533 391 2HG GLU 51 HG1 GLU 51 -4.156 1.003 8.163 392 H HIS 52 HN HIS 52 -5.481 -3.567 8.384 393 HA HIS 52 HA HIS 52 -8.370 -4.130 8.528 394 1HB HIS 52 HB2 HIS 52 -6.628 -3.933 6.096 395 2HB HIS 52 HB1 HIS 52 -8.094 -4.885 6.073 396 HD1 HIS 52 HD1 HIS 52 -10.162 -3.694 5.470 397 HD2 HIS 52 HD2 HIS 52 -7.145 -1.109 6.686 398 HE1 HIS 52 HE1 HIS 52 -11.022 -1.387 5.027 399 HE2 HIS 52 HE2 HIS 52 -9.321 0.115 6.069 400 H ASP 53 HN ASP 53 -5.592 -5.416 9.441 401 HA ASP 53 HA ASP 53 -4.794 -7.448 9.914 402 1HB ASP 53 HB2 ASP 53 -7.035 -7.827 10.915 403 2HB ASP 53 HB1 ASP 53 -7.639 -8.413 9.374 404 H LEU 54 HN LEU 54 -4.731 -6.460 7.171 405 HA LEU 54 HA LEU 54 -4.693 -8.877 5.576 406 1HB LEU 54 HB2 LEU 54 -4.192 -6.001 4.988 407 2HB LEU 54 HB1 LEU 54 -3.378 -7.171 3.970 408 HG LEU 54 HG LEU 54 -5.608 -8.097 3.364 409 1HD1 LEU 54 HD11 LEU 54 -6.879 -7.410 5.304 410 2HD1 LEU 54 HD12 LEU 54 -7.605 -6.785 3.819 411 3HD1 LEU 54 HD13 LEU 54 -6.653 -5.718 4.857 412 1HD2 LEU 54 HD21 LEU 54 -6.226 -6.244 1.887 413 2HD2 LEU 54 HD22 LEU 54 -4.485 -6.518 1.918 414 3HD2 LEU 54 HD23 LEU 54 -5.182 -5.168 2.815 415 H VAL 55 HN VAL 55 -3.181 -10.283 6.016 416 HA VAL 55 HA VAL 55 -0.582 -9.359 6.868 417 HB VAL 55 HB VAL 55 -1.508 -12.208 6.374 418 1HG1 VAL 55 HG11 VAL 55 0.916 -11.970 6.328 419 2HG1 VAL 55 HG12 VAL 55 0.418 -12.834 7.781 420 3HG1 VAL 55 HG13 VAL 55 0.880 -11.138 7.881 421 1HG2 VAL 55 HG21 VAL 55 -1.777 -12.379 8.802 422 2HG2 VAL 55 HG22 VAL 55 -2.850 -11.155 8.120 423 3HG2 VAL 55 HG23 VAL 55 -1.377 -10.671 8.964 424 H LEU 56 HN LEU 56 0.204 -8.357 5.107 425 HA LEU 56 HA LEU 56 0.566 -9.954 2.705 426 1HB LEU 56 HB2 LEU 56 1.316 -7.085 3.232 427 2HB LEU 56 HB1 LEU 56 1.476 -7.903 1.699 428 HG LEU 56 HG LEU 56 -1.129 -7.218 3.073 429 1HD1 LEU 56 HD11 LEU 56 0.144 -6.184 0.549 430 2HD1 LEU 56 HD12 LEU 56 -0.053 -5.302 2.065 431 3HD1 LEU 56 HD13 LEU 56 -1.469 -5.773 1.127 432 1HD2 LEU 56 HD21 LEU 56 -2.220 -8.107 1.066 433 2HD2 LEU 56 HD22 LEU 56 -1.303 -9.361 1.899 434 3HD2 LEU 56 HD23 LEU 56 -0.654 -8.620 0.437 435 HA PRO 57 HA PRO 57 4.419 -10.998 4.677 436 1HB PRO 57 HB2 PRO 57 4.629 -12.971 2.575 437 2HB PRO 57 HB1 PRO 57 4.372 -13.226 4.304 438 1HG PRO 57 HG2 PRO 57 2.485 -13.741 2.425 439 2HG PRO 57 HG1 PRO 57 2.082 -13.229 4.077 440 1HD PRO 57 HD2 PRO 57 2.211 -11.638 1.561 441 2HD PRO 57 HD1 PRO 57 0.996 -11.605 2.857 442 H ILE 58 HN ILE 58 6.625 -11.460 3.800 443 HA ILE 58 HA ILE 58 7.411 -9.334 2.137 444 HB ILE 58 HB ILE 58 8.919 -11.640 3.389 445 1HG1 ILE 58 HG12 ILE 58 10.197 -9.725 4.442 446 2HG1 ILE 58 HG11 ILE 58 9.043 -8.665 3.632 447 1HG2 ILE 58 HG21 ILE 58 9.982 -11.385 1.232 448 2HG2 ILE 58 HG22 ILE 58 11.035 -10.788 2.514 449 3HG2 ILE 58 HG23 ILE 58 10.147 -9.650 1.498 450 1HD1 ILE 58 HD11 ILE 58 7.234 -9.611 4.949 451 2HD1 ILE 58 HD12 ILE 58 8.501 -8.981 6.002 452 3HD1 ILE 58 HD13 ILE 58 8.360 -10.719 5.733 453 H ARG 59 HN ARG 59 6.816 -12.683 1.596 454 HA ARG 59 HA ARG 59 7.805 -12.684 -1.060 455 1HB ARG 59 HB2 ARG 59 6.609 -14.834 -1.424 456 2HB ARG 59 HB1 ARG 59 7.687 -14.834 -0.048 457 1HG ARG 59 HG2 ARG 59 4.795 -14.279 0.397 458 2HG ARG 59 HG1 ARG 59 5.309 -15.932 0.060 459 1HD ARG 59 HD2 ARG 59 6.390 -14.176 2.264 460 2HD ARG 59 HD1 ARG 59 5.192 -15.454 2.469 461 HE ARG 59 HE ARG 59 7.678 -16.257 1.233 462 1HH1 ARG 59 HH11 ARG 59 5.754 -16.143 4.243 463 2HH1 ARG 59 HH12 ARG 59 6.828 -17.156 5.093 464 1HH2 ARG 59 HH21 ARG 59 9.111 -17.689 2.445 465 2HH2 ARG 59 HH22 ARG 59 8.721 -18.097 4.048 466 H GLU 60 HN GLU 60 5.238 -11.019 0.035 467 HA GLU 60 HA GLU 60 4.122 -11.029 -2.669 468 1HB GLU 60 HB2 GLU 60 2.724 -10.324 -0.085 469 2HB GLU 60 HB1 GLU 60 2.062 -9.965 -1.677 470 1HG GLU 60 HG2 GLU 60 2.200 -12.405 -2.181 471 2HG GLU 60 HG1 GLU 60 2.623 -12.658 -0.487 472 H VAL 61 HN VAL 61 4.855 -8.948 0.099 473 HA VAL 61 HA VAL 61 4.480 -6.509 -1.186 474 HB VAL 61 HB VAL 61 6.406 -7.083 1.096 475 1HG1 VAL 61 HG11 VAL 61 6.816 -4.898 0.098 476 2HG1 VAL 61 HG12 VAL 61 6.118 -4.737 1.710 477 3HG1 VAL 61 HG13 VAL 61 5.110 -4.484 0.282 478 1HG2 VAL 61 HG21 VAL 61 4.166 -7.839 1.628 479 2HG2 VAL 61 HG22 VAL 61 3.503 -6.275 1.157 480 3HG2 VAL 61 HG23 VAL 61 4.560 -6.399 2.565 481 H ARG 62 HN ARG 62 7.224 -8.645 -1.218 482 HA ARG 62 HA ARG 62 9.169 -6.933 -2.171 483 1HB ARG 62 HB2 ARG 62 8.803 -9.816 -2.087 484 2HB ARG 62 HB1 ARG 62 9.897 -9.299 -3.348 485 1HG ARG 62 HG2 ARG 62 11.135 -8.013 -1.594 486 2HG ARG 62 HG1 ARG 62 10.099 -8.779 -0.389 487 1HD ARG 62 HD2 ARG 62 10.863 -10.991 -1.068 488 2HD ARG 62 HD1 ARG 62 11.845 -10.287 -2.351 489 HE ARG 62 HE ARG 62 12.824 -9.063 -0.189 490 1HH1 ARG 62 HH11 ARG 62 12.249 -12.526 -0.821 491 2HH1 ARG 62 HH12 ARG 62 13.456 -13.049 0.254 492 1HH2 ARG 62 HH21 ARG 62 14.518 -9.829 1.287 493 2HH2 ARG 62 HH22 ARG 62 14.833 -11.481 1.406 494 H GLN 63 HN GLN 63 6.446 -8.202 -3.893 495 HA GLN 63 HA GLN 63 7.811 -7.625 -6.431 496 1HB GLN 63 HB2 GLN 63 5.451 -9.477 -6.038 497 2HB GLN 63 HB1 GLN 63 6.219 -9.119 -7.576 498 1HG GLN 63 HG2 GLN 63 7.440 -10.940 -7.210 499 2HG GLN 63 HG1 GLN 63 8.339 -9.947 -6.071 500 1HE2 GLN 63 HE21 GLN 63 5.826 -9.919 -4.361 501 2HE2 GLN 63 HE22 GLN 63 5.869 -11.442 -3.552 502 H LEU 64 HN LEU 64 6.205 -6.040 -4.463 503 HA LEU 64 HA LEU 64 4.162 -4.964 -6.215 504 1HB LEU 64 HB2 LEU 64 5.172 -3.928 -3.551 505 2HB LEU 64 HB1 LEU 64 3.744 -3.356 -4.397 506 HG LEU 64 HG LEU 64 4.120 -6.091 -3.174 507 1HD1 LEU 64 HD11 LEU 64 2.349 -3.805 -2.366 508 2HD1 LEU 64 HD12 LEU 64 3.787 -4.373 -1.519 509 3HD1 LEU 64 HD13 LEU 64 2.363 -5.408 -1.633 510 1HD2 LEU 64 HD21 LEU 64 2.753 -6.242 -5.184 511 2HD2 LEU 64 HD22 LEU 64 1.723 -4.933 -4.603 512 3HD2 LEU 64 HD23 LEU 64 1.758 -6.473 -3.746 513 H THR 65 HN THR 65 4.299 -2.708 -7.003 514 HA THR 65 HA THR 65 7.085 -2.005 -7.602 515 HB THR 65 HB THR 65 6.076 -1.018 -9.659 516 HG1 THR 65 HG1 THR 65 3.910 -1.355 -10.031 517 1HG2 THR 65 HG21 THR 65 5.595 -3.179 -10.710 518 2HG2 THR 65 HG22 THR 65 5.326 -3.858 -9.094 519 3HG2 THR 65 HG23 THR 65 6.946 -3.344 -9.555 520 H LEU 66 HN LEU 66 5.950 -1.160 -5.279 521 HA LEU 66 HA LEU 66 5.717 0.595 -3.895 522 1HB LEU 66 HB2 LEU 66 7.752 1.354 -5.278 523 2HB LEU 66 HB1 LEU 66 6.649 2.383 -6.154 524 HG LEU 66 HG LEU 66 7.945 3.602 -4.448 525 1HD1 LEU 66 HD11 LEU 66 5.021 3.453 -3.852 526 2HD1 LEU 66 HD12 LEU 66 5.787 4.469 -5.076 527 3HD1 LEU 66 HD13 LEU 66 6.094 4.768 -3.358 528 1HD2 LEU 66 HD21 LEU 66 8.202 1.821 -2.816 529 2HD2 LEU 66 HD22 LEU 66 6.472 1.866 -2.475 530 3HD2 LEU 66 HD23 LEU 66 7.486 3.251 -2.069 531 H ARG 67 HN ARG 67 4.659 2.006 -7.002 532 HA ARG 67 HA ARG 67 2.419 3.262 -5.698 533 1HB ARG 67 HB2 ARG 67 3.304 3.083 -8.551 534 2HB ARG 67 HB1 ARG 67 1.656 3.588 -8.196 535 1HG ARG 67 HG2 ARG 67 4.149 4.928 -7.143 536 2HG ARG 67 HG1 ARG 67 3.165 5.506 -8.496 537 1HD ARG 67 HD2 ARG 67 1.202 5.528 -6.912 538 2HD ARG 67 HD1 ARG 67 2.329 5.187 -5.624 539 HE ARG 67 HE ARG 67 3.365 7.340 -6.020 540 1HH1 ARG 67 HH11 ARG 67 0.267 6.864 -7.662 541 2HH1 ARG 67 HH12 ARG 67 -0.262 8.463 -7.455 542 1HH2 ARG 67 HH21 ARG 67 2.614 9.603 -5.725 543 2HH2 ARG 67 HH22 ARG 67 1.100 10.032 -6.407 544 H LYS 68 HN LYS 68 2.923 0.193 -6.993 545 HA LYS 68 HA LYS 68 0.267 -0.594 -7.515 546 1HB LYS 68 HB2 LYS 68 2.320 -1.902 -8.113 547 2HB LYS 68 HB1 LYS 68 2.480 -2.297 -6.402 548 1HG LYS 68 HG2 LYS 68 0.385 -3.457 -6.428 549 2HG LYS 68 HG1 LYS 68 0.141 -3.029 -8.122 550 1HD LYS 68 HD2 LYS 68 2.089 -4.309 -8.751 551 2HD LYS 68 HD1 LYS 68 2.426 -4.671 -7.055 552 1HE LYS 68 HE2 LYS 68 1.317 -6.551 -8.066 553 2HE LYS 68 HE1 LYS 68 0.275 -5.763 -6.876 554 1HZ LYS 68 HZ1 LYS 68 -0.955 -6.346 -8.810 555 2HZ LYS 68 HZ2 LYS 68 0.073 -5.481 -9.829 556 3HZ LYS 68 HZ3 LYS 68 -0.920 -4.660 -8.721 557 H LEU 69 HN LEU 69 1.945 0.009 -4.610 558 HA LEU 69 HA LEU 69 0.406 -1.381 -2.719 559 1HB LEU 69 HB2 LEU 69 1.938 1.173 -2.535 560 2HB LEU 69 HB1 LEU 69 0.830 0.792 -1.239 561 HG LEU 69 HG LEU 69 3.087 0.175 -0.648 562 1HD1 LEU 69 HD11 LEU 69 1.302 -1.147 0.267 563 2HD1 LEU 69 HD12 LEU 69 2.727 -2.151 -0.014 564 3HD1 LEU 69 HD13 LEU 69 1.359 -2.231 -1.124 565 1HD2 LEU 69 HD21 LEU 69 4.294 -1.623 -1.808 566 2HD2 LEU 69 HD22 LEU 69 4.023 -0.238 -2.866 567 3HD2 LEU 69 HD23 LEU 69 3.023 -1.681 -3.030 568 H GLN 70 HN GLN 70 -0.533 1.307 -4.660 569 HA GLN 70 HA GLN 70 -2.792 1.956 -3.020 570 1HB GLN 70 HB2 GLN 70 -2.020 2.832 -5.782 571 2HB GLN 70 HB1 GLN 70 -3.494 3.422 -4.976 572 1HG GLN 70 HG2 GLN 70 -1.643 4.044 -3.165 573 2HG GLN 70 HG1 GLN 70 -0.620 3.998 -4.571 574 1HE2 GLN 70 HE21 GLN 70 -1.032 5.458 -6.310 575 2HE2 GLN 70 HE22 GLN 70 -1.924 6.894 -6.049 576 H GLU 71 HN GLU 71 -2.183 -0.645 -4.962 577 HA GLU 71 HA GLU 71 -5.005 -0.976 -5.646 578 1HB GLU 71 HB2 GLU 71 -2.743 -2.937 -6.086 579 2HB GLU 71 HB1 GLU 71 -4.345 -2.995 -6.797 580 1HG GLU 71 HG2 GLU 71 -3.753 -0.790 -7.908 581 2HG GLU 71 HG1 GLU 71 -2.091 -1.133 -7.425 582 H MET 72 HN MET 72 -2.827 -1.455 -3.203 583 HA MET 72 HA MET 72 -4.281 -3.754 -2.030 584 1HB MET 72 HB2 MET 72 -1.530 -2.759 -1.244 585 2HB MET 72 HB1 MET 72 -2.284 -4.282 -0.817 586 1HG MET 72 HG2 MET 72 -1.213 -3.479 -3.517 587 2HG MET 72 HG1 MET 72 -0.531 -4.645 -2.397 588 1HE MET 72 HE1 MET 72 -3.141 -7.568 -2.516 589 2HE MET 72 HE2 MET 72 -3.094 -6.223 -1.371 590 3HE MET 72 HE3 MET 72 -1.597 -7.019 -1.861 591 H SER 73 HN SER 73 -4.606 -0.672 -2.065 592 HA SER 73 HA SER 73 -3.728 0.251 0.404 593 1HB SER 73 HB2 SER 73 -5.064 2.273 -0.215 594 2HB SER 73 HB1 SER 73 -3.825 1.763 -1.362 595 HG SER 73 HG SER 73 -5.985 2.333 -2.150 596 H SER 74 HN SER 74 -6.560 -1.419 -0.563 597 HA SER 74 HA SER 74 -8.399 -2.123 0.474 598 1HB SER 74 HB2 SER 74 -7.223 -0.900 2.992 599 2HB SER 74 HB1 SER 74 -8.574 -2.038 2.935 600 HG SER 74 HG SER 74 -5.950 -2.531 1.984 601 H LYS 75 HN LYS 75 -7.820 0.805 -0.373 602 HA LYS 75 HA LYS 75 -10.302 1.981 0.663 603 1HB LYS 75 HB2 LYS 75 -8.031 3.264 -0.866 604 2HB LYS 75 HB1 LYS 75 -9.493 4.082 -0.364 605 1HG LYS 75 HG2 LYS 75 -8.828 3.611 2.003 606 2HG LYS 75 HG1 LYS 75 -7.277 3.033 1.370 607 1HD LYS 75 HD2 LYS 75 -6.883 5.167 0.297 608 2HD LYS 75 HD1 LYS 75 -8.458 5.748 0.830 609 1HE LYS 75 HE2 LYS 75 -7.668 5.418 3.185 610 2HE LYS 75 HE1 LYS 75 -6.062 5.096 2.525 611 1HZ LYS 75 HZ1 LYS 75 -7.639 7.556 2.098 612 2HZ LYS 75 HZ2 LYS 75 -6.130 7.310 1.468 613 3HZ LYS 75 HZ3 LYS 75 -6.342 7.447 3.166 614 H ALA 76 HN ALA 76 -11.976 1.991 -0.662 615 HA ALA 76 HA ALA 76 -11.741 0.854 -3.276 616 1HB ALA 76 HB1 ALA 76 -14.160 1.236 -3.421 617 2HB ALA 76 HB2 ALA 76 -14.101 2.197 -1.942 618 3HB ALA 76 HB3 ALA 76 -13.737 0.473 -1.885 619 H GLY 77 HN GLY 77 -11.459 1.890 -5.143 620 1HA GLY 77 HA2 GLY 77 -10.941 4.702 -5.108 621 2HA GLY 77 HA1 GLY 77 -10.860 3.630 -6.502 622 H SER 78 HN SER 78 -13.089 5.259 -4.378 623 HA SER 78 HA SER 78 -14.728 5.831 -6.685 624 1HB SER 78 HB2 SER 78 -15.807 4.684 -4.096 625 2HB SER 78 HB1 SER 78 -16.792 5.288 -5.434 626 HG SER 78 HG SER 78 -15.360 3.762 -6.676 627 H ASP 79 HN ASP 79 -14.018 7.820 -6.682 628 HA ASP 79 HA ASP 79 -14.131 9.596 -4.448 629 1HB ASP 79 HB2 ASP 79 -12.526 10.084 -6.140 630 2HB ASP 79 HB1 ASP 79 -13.725 9.945 -7.418 631 H THR 80 HN THR 80 -15.901 9.222 -7.448 632 HA THR 80 HA THR 80 -18.260 10.293 -6.080 633 HB THR 80 HB THR 80 -17.460 10.883 -8.955 634 HG1 THR 80 HG1 THR 80 -16.245 12.135 -7.401 635 1HG2 THR 80 HG21 THR 80 -19.805 11.889 -7.327 636 2HG2 THR 80 HG22 THR 80 -19.901 10.746 -8.665 637 3HG2 THR 80 HG23 THR 80 -19.389 12.409 -8.960 638 H GLU 81 HN GLU 81 -16.973 8.219 -8.658 639 HA GLU 81 HA GLU 81 -19.296 6.487 -8.370 640 1HB GLU 81 HB2 GLU 81 -18.297 7.621 -10.994 641 2HB GLU 81 HB1 GLU 81 -19.376 6.232 -10.887 642 1HG GLU 81 HG2 GLU 81 -21.083 7.570 -9.853 643 2HG GLU 81 HG1 GLU 81 -19.999 8.954 -9.767 644 H LEU 82 HN LEU 82 -18.789 4.431 -9.870 645 HA LEU 82 HA LEU 82 -16.510 3.299 -8.666 646 1HB LEU 82 HB2 LEU 82 -18.271 2.231 -10.856 647 2HB LEU 82 HB1 LEU 82 -16.999 1.303 -10.090 648 HG LEU 82 HG LEU 82 -19.448 2.408 -8.716 649 1HD1 LEU 82 HD11 LEU 82 -18.680 -0.411 -9.446 650 2HD1 LEU 82 HD12 LEU 82 -19.955 0.551 -10.193 651 3HD1 LEU 82 HD13 LEU 82 -20.092 0.066 -8.504 652 1HD2 LEU 82 HD21 LEU 82 -18.695 1.113 -6.783 653 2HD2 LEU 82 HD22 LEU 82 -17.519 2.353 -7.218 654 3HD2 LEU 82 HD23 LEU 82 -17.223 0.667 -7.648 655 H ALA 83 HN ALA 83 -17.057 3.560 -12.203 656 HA ALA 83 HA ALA 83 -14.150 3.975 -12.332 657 1HB ALA 83 HB1 ALA 83 -15.831 2.564 -14.401 658 2HB ALA 83 HB2 ALA 83 -14.761 1.778 -13.239 659 3HB ALA 83 HB3 ALA 83 -14.092 2.838 -14.478 660 H ALA 84 HN ALA 84 -13.954 6.036 -12.530 661 HA ALA 84 HA ALA 84 -13.903 8.096 -13.364 662 1HB ALA 84 HB1 ALA 84 -13.274 6.978 -15.468 663 2HB ALA 84 HB2 ALA 84 -14.180 8.464 -15.754 664 3HB ALA 84 HB3 ALA 84 -14.976 6.900 -15.922 665 HA PRO 85 HA PRO 85 -18.070 9.369 -12.203 666 1HB PRO 85 HB2 PRO 85 -16.646 11.970 -12.074 667 2HB PRO 85 HB1 PRO 85 -17.634 11.173 -10.843 668 1HG PRO 85 HG2 PRO 85 -14.981 11.287 -10.605 669 2HG PRO 85 HG1 PRO 85 -15.889 9.848 -10.109 670 1HD PRO 85 HD2 PRO 85 -14.275 10.308 -12.581 671 2HD PRO 85 HD1 PRO 85 -14.399 8.857 -11.566 672 H LYS 86 HN LYS 86 -19.607 10.305 -13.390 673 HA LYS 86 HA LYS 86 -19.195 10.825 -16.139 674 1HB LYS 86 HB2 LYS 86 -21.564 11.693 -14.463 675 2HB LYS 86 HB1 LYS 86 -21.531 11.497 -16.206 676 1HG LYS 86 HG2 LYS 86 -21.263 9.294 -14.164 677 2HG LYS 86 HG1 LYS 86 -22.696 9.662 -15.121 678 1HD LYS 86 HD2 LYS 86 -21.484 9.111 -17.163 679 2HD LYS 86 HD1 LYS 86 -20.025 8.796 -16.222 680 1HE LYS 86 HE2 LYS 86 -22.636 7.310 -15.927 681 2HE LYS 86 HE1 LYS 86 -21.244 6.729 -16.834 682 1HZ LYS 86 HZ1 LYS 86 -19.968 6.627 -14.810 683 2HZ LYS 86 HZ2 LYS 86 -21.380 5.786 -14.577 684 3HZ LYS 86 HZ3 LYS 86 -21.212 7.317 -13.903 685 H SER 87 HN SER 87 -19.610 12.911 -13.341 686 HA SER 87 HA SER 87 -18.483 15.072 -14.927 687 1HB SER 87 HB2 SER 87 -20.927 15.339 -15.046 688 2HB SER 87 HB1 SER 87 -21.006 15.378 -13.286 689 HG SER 87 HG SER 87 -20.672 17.432 -13.456 690 H LYS 88 HN LYS 88 -19.296 13.799 -11.696 691 HA LYS 88 HA LYS 88 -18.393 14.024 -9.665 692 1HB LYS 88 HB2 LYS 88 -16.116 13.940 -10.583 693 2HB LYS 88 HB1 LYS 88 -16.198 15.637 -11.025 694 1HG LYS 88 HG2 LYS 88 -16.271 16.248 -8.652 695 2HG LYS 88 HG1 LYS 88 -16.188 14.540 -8.213 696 1HD LYS 88 HD2 LYS 88 -14.009 14.351 -9.273 697 2HD LYS 88 HD1 LYS 88 -14.104 16.029 -9.805 698 1HE LYS 88 HE2 LYS 88 -12.682 15.779 -7.822 699 2HE LYS 88 HE1 LYS 88 -14.086 16.789 -7.503 700 1HZ LYS 88 HZ1 LYS 88 -13.554 15.145 -5.737 701 2HZ LYS 88 HZ2 LYS 88 -14.015 13.886 -6.784 702 3HZ LYS 88 HZ3 LYS 88 -15.120 15.040 -6.314 703 H ASN 89 HN ASN 89 -18.663 16.887 -11.553 704 HA ASN 89 HA ASN 89 -19.742 18.369 -9.274 705 1HB ASN 89 HB2 ASN 89 -18.005 19.548 -10.572 706 2HB ASN 89 HB1 ASN 89 -18.911 19.272 -12.051 707 1HD2 ASN 89 HD21 ASN 89 -19.133 21.393 -12.515 708 2HD2 ASN 89 HD22 ASN 89 -20.164 22.476 -11.663 Start of MODEL 8 1 1H GLY 1 HT1 GLY 1 -7.531 12.418 12.187 2 2H GLY 1 HT2 GLY 1 -8.358 12.957 13.588 3 3H GLY 1 HT3 GLY 1 -7.015 11.942 13.720 4 1HA GLY 1 HA1 GLY 1 -6.883 14.654 12.601 5 2HA GLY 1 HA2 GLY 1 -6.478 14.227 14.261 6 H ASP 2 HN ASP 2 -4.996 12.166 14.292 7 HA ASP 2 HA ASP 2 -2.632 13.034 12.854 8 1HB ASP 2 HB2 ASP 2 -2.330 12.667 15.206 9 2HB ASP 2 HB1 ASP 2 -3.032 11.059 15.101 10 H GLY 3 HN GLY 3 -4.781 10.296 13.030 11 1HA GLY 3 HA2 GLY 3 -4.333 9.427 10.441 12 2HA GLY 3 HA1 GLY 3 -3.223 8.516 11.470 13 H GLU 4 HN GLU 4 -4.456 8.153 13.670 14 HA GLU 4 HA GLU 4 -6.021 7.194 14.939 15 1HB GLU 4 HB2 GLU 4 -8.073 7.330 12.733 16 2HB GLU 4 HB1 GLU 4 -8.352 7.231 14.459 17 1HG GLU 4 HG2 GLU 4 -7.585 9.589 12.788 18 2HG GLU 4 HG1 GLU 4 -8.911 9.411 13.929 19 H ALA 5 HN ALA 5 -6.307 6.094 11.647 20 HA ALA 5 HA ALA 5 -6.073 3.322 12.554 21 1HB ALA 5 HB1 ALA 5 -7.697 2.703 10.793 22 2HB ALA 5 HB2 ALA 5 -7.951 4.412 10.438 23 3HB ALA 5 HB3 ALA 5 -8.423 3.757 12.007 24 H GLN 6 HN GLN 6 -6.126 2.304 9.982 25 HA GLN 6 HA GLN 6 -3.671 2.139 9.013 26 1HB GLN 6 HB2 GLN 6 -5.436 0.812 8.142 27 2HB GLN 6 HB1 GLN 6 -6.247 2.210 7.467 28 1HG GLN 6 HG2 GLN 6 -4.494 2.474 5.832 29 2HG GLN 6 HG1 GLN 6 -3.588 1.147 6.557 30 1HE2 GLN 6 HE21 GLN 6 -4.256 -0.953 6.212 31 2HE2 GLN 6 HE22 GLN 6 -5.417 -1.314 4.969 32 H ARG 7 HN ARG 7 -2.184 3.419 8.336 33 HA ARG 7 HA ARG 7 -2.695 6.152 7.659 34 1HB ARG 7 HB2 ARG 7 -0.280 6.391 7.596 35 2HB ARG 7 HB1 ARG 7 -0.726 5.437 9.001 36 1HG ARG 7 HG2 ARG 7 -0.193 3.395 7.561 37 2HG ARG 7 HG1 ARG 7 0.584 4.530 6.458 38 1HD ARG 7 HD2 ARG 7 1.281 4.000 9.348 39 2HD ARG 7 HD1 ARG 7 2.243 3.597 7.936 40 HE ARG 7 HE ARG 7 1.706 6.405 8.230 41 1HH1 ARG 7 HH11 ARG 7 4.019 3.762 8.981 42 2HH1 ARG 7 HH12 ARG 7 5.225 4.805 9.510 43 1HH2 ARG 7 HH21 ARG 7 3.425 7.827 9.013 44 2HH2 ARG 7 HH22 ARG 7 4.914 7.139 9.530 45 H ASP 8 HN ASP 8 -2.058 7.171 5.658 46 HA ASP 8 HA ASP 8 -2.926 5.741 3.393 47 1HB ASP 8 HB2 ASP 8 -1.500 8.401 3.571 48 2HB ASP 8 HB1 ASP 8 -2.049 7.711 2.050 49 H LEU 9 HN LEU 9 -2.021 4.507 2.117 50 HA LEU 9 HA LEU 9 0.315 3.169 2.607 51 1HB LEU 9 HB2 LEU 9 -1.467 3.339 0.229 52 2HB LEU 9 HB1 LEU 9 0.025 2.438 0.120 53 HG LEU 9 HG LEU 9 -1.953 1.049 0.568 54 1HD1 LEU 9 HD11 LEU 9 0.111 1.082 2.753 55 2HD1 LEU 9 HD12 LEU 9 0.235 0.255 1.199 56 3HD1 LEU 9 HD13 LEU 9 -0.959 -0.269 2.387 57 1HD2 LEU 9 HD21 LEU 9 -3.235 2.575 1.977 58 2HD2 LEU 9 HD22 LEU 9 -2.024 2.426 3.256 59 3HD2 LEU 9 HD23 LEU 9 -2.987 1.025 2.777 60 H VAL 10 HN VAL 10 -0.100 5.419 -0.134 61 HA VAL 10 HA VAL 10 2.701 5.134 -0.715 62 HB VAL 10 HB VAL 10 0.537 6.836 -2.015 63 1HG1 VAL 10 HG11 VAL 10 2.134 7.299 -3.814 64 2HG1 VAL 10 HG12 VAL 10 3.403 6.454 -2.926 65 3HG1 VAL 10 HG13 VAL 10 2.729 7.952 -2.287 66 1HG2 VAL 10 HG21 VAL 10 2.004 4.363 -2.907 67 2HG2 VAL 10 HG22 VAL 10 0.785 5.229 -3.838 68 3HG2 VAL 10 HG23 VAL 10 0.343 4.435 -2.334 69 H LYS 11 HN LYS 11 0.706 7.254 1.054 70 HA LYS 11 HA LYS 11 2.528 9.413 1.158 71 1HB LYS 11 HB2 LYS 11 0.096 9.629 1.613 72 2HB LYS 11 HB1 LYS 11 0.304 8.688 3.076 73 1HG LYS 11 HG2 LYS 11 0.192 10.922 3.792 74 2HG LYS 11 HG1 LYS 11 1.902 10.489 3.835 75 1HD LYS 11 HD2 LYS 11 0.575 12.038 1.591 76 2HD LYS 11 HD1 LYS 11 1.441 12.782 2.926 77 1HE LYS 11 HE2 LYS 11 2.615 10.920 0.848 78 2HE LYS 11 HE1 LYS 11 2.811 12.666 0.891 79 1HZ LYS 11 HZ1 LYS 11 3.817 10.764 2.955 80 2HZ LYS 11 HZ2 LYS 11 3.997 12.453 2.989 81 3HZ LYS 11 HZ3 LYS 11 4.721 11.562 1.764 82 H ALA 12 HN ALA 12 2.362 6.357 2.649 83 HA ALA 12 HA ALA 12 4.253 7.109 4.754 84 1HB ALA 12 HB1 ALA 12 2.635 4.591 4.383 85 2HB ALA 12 HB2 ALA 12 2.266 5.910 5.495 86 3HB ALA 12 HB3 ALA 12 3.710 4.927 5.743 87 H VAL 13 HN VAL 13 3.732 4.380 2.506 88 HA VAL 13 HA VAL 13 6.265 3.231 2.842 89 HB VAL 13 HB VAL 13 4.344 2.933 0.509 90 1HG1 VAL 13 HG11 VAL 13 5.508 0.839 0.011 91 2HG1 VAL 13 HG12 VAL 13 6.681 1.178 1.287 92 3HG1 VAL 13 HG13 VAL 13 6.590 2.225 -0.132 93 1HG2 VAL 13 HG21 VAL 13 4.760 1.237 2.969 94 2HG2 VAL 13 HG22 VAL 13 3.664 0.859 1.640 95 3HG2 VAL 13 HG23 VAL 13 3.375 2.279 2.645 96 H ALA 14 HN ALA 14 5.089 5.412 0.296 97 HA ALA 14 HA ALA 14 7.599 5.354 -1.043 98 1HB ALA 14 HB1 ALA 14 5.499 5.859 -2.253 99 2HB ALA 14 HB2 ALA 14 6.693 7.133 -2.478 100 3HB ALA 14 HB3 ALA 14 5.345 7.364 -1.359 101 H HIS 15 HN HIS 15 6.237 7.141 1.535 102 HA HIS 15 HA HIS 15 8.004 9.383 1.423 103 1HB HIS 15 HB2 HIS 15 5.753 9.256 2.631 104 2HB HIS 15 HB1 HIS 15 6.591 8.361 3.888 105 HD1 HIS 15 HD1 HIS 15 5.613 10.529 5.307 106 HD2 HIS 15 HD2 HIS 15 8.774 11.241 2.685 107 HE1 HIS 15 HE1 HIS 15 6.563 12.731 5.966 108 HE2 HIS 15 HE2 HIS 15 8.682 12.886 4.637 109 H ILE 16 HN ILE 16 8.166 6.177 2.751 110 HA ILE 16 HA ILE 16 10.364 6.469 4.477 111 HB ILE 16 HB ILE 16 9.598 4.057 2.785 112 1HG1 ILE 16 HG12 ILE 16 7.769 4.712 4.258 113 2HG1 ILE 16 HG11 ILE 16 8.477 3.202 4.810 114 1HG2 ILE 16 HG21 ILE 16 10.831 2.689 4.406 115 2HG2 ILE 16 HG22 ILE 16 11.400 4.158 5.199 116 3HG2 ILE 16 HG23 ILE 16 11.874 3.811 3.535 117 1HD1 ILE 16 HD11 ILE 16 8.938 5.933 5.996 118 2HD1 ILE 16 HD12 ILE 16 9.679 4.437 6.563 119 3HD1 ILE 16 HD13 ILE 16 7.932 4.654 6.672 120 H LEU 17 HN LEU 17 10.124 5.949 1.022 121 HA LEU 17 HA LEU 17 13.004 5.845 0.635 122 1HB LEU 17 HB2 LEU 17 10.758 5.920 -1.376 123 2HB LEU 17 HB1 LEU 17 12.448 5.662 -1.752 124 HG LEU 17 HG LEU 17 10.716 3.820 -0.117 125 1HD1 LEU 17 HD11 LEU 17 11.777 3.561 -2.920 126 2HD1 LEU 17 HD12 LEU 17 10.095 3.844 -2.467 127 3HD1 LEU 17 HD13 LEU 17 10.882 2.326 -2.036 128 1HD2 LEU 17 HD21 LEU 17 13.547 3.515 -1.107 129 2HD2 LEU 17 HD22 LEU 17 12.607 2.276 -0.272 130 3HD2 LEU 17 HD23 LEU 17 13.055 3.758 0.569 131 H GLY 18 HN GLY 18 10.583 8.194 0.759 132 1HA GLY 18 HA2 GLY 18 10.974 10.513 0.821 133 2HA GLY 18 HA1 GLY 18 12.500 10.251 -0.016 134 H ILE 19 HN ILE 19 9.443 8.914 -1.037 135 HA ILE 19 HA ILE 19 9.333 10.778 -3.280 136 HB ILE 19 HB ILE 19 8.261 8.649 -4.435 137 1HG1 ILE 19 HG12 ILE 19 10.307 7.429 -2.575 138 2HG1 ILE 19 HG11 ILE 19 8.581 7.118 -2.595 139 1HG2 ILE 19 HG21 ILE 19 10.400 8.228 -5.580 140 2HG2 ILE 19 HG22 ILE 19 11.213 9.238 -4.378 141 3HG2 ILE 19 HG23 ILE 19 9.974 9.926 -5.448 142 1HD1 ILE 19 HD11 ILE 19 8.800 6.061 -4.779 143 2HD1 ILE 19 HD12 ILE 19 9.847 5.295 -3.584 144 3HD1 ILE 19 HD13 ILE 19 10.528 6.406 -4.774 145 H ARG 20 HN ARG 20 7.211 10.719 -4.344 146 HA ARG 20 HA ARG 20 4.947 9.654 -2.893 147 1HB ARG 20 HB2 ARG 20 5.410 11.829 -1.741 148 2HB ARG 20 HB1 ARG 20 5.168 12.628 -3.291 149 1HG ARG 20 HG2 ARG 20 2.891 11.454 -3.311 150 2HG ARG 20 HG1 ARG 20 3.169 11.209 -1.584 151 1HD ARG 20 HD2 ARG 20 1.908 13.232 -1.885 152 2HD ARG 20 HD1 ARG 20 3.537 13.649 -1.346 153 HE ARG 20 HE ARG 20 2.945 13.629 -4.196 154 1HH1 ARG 20 HH11 ARG 20 3.582 15.521 -1.281 155 2HH1 ARG 20 HH12 ARG 20 4.000 16.945 -2.099 156 1HH2 ARG 20 HH21 ARG 20 3.596 15.554 -5.352 157 2HH2 ARG 20 HH22 ARG 20 4.015 16.971 -4.492 158 H ASP 21 HN ASP 21 6.127 11.890 -5.367 159 HA ASP 21 HA ASP 21 3.755 11.609 -7.003 160 1HB ASP 21 HB2 ASP 21 6.416 12.862 -7.713 161 2HB ASP 21 HB1 ASP 21 4.924 12.997 -8.634 162 H LEU 22 HN LEU 22 7.010 10.416 -7.057 163 HA LEU 22 HA LEU 22 7.929 8.610 -8.060 164 1HB LEU 22 HB2 LEU 22 5.034 7.853 -8.379 165 2HB LEU 22 HB1 LEU 22 6.281 6.905 -9.160 166 HG LEU 22 HG LEU 22 5.582 5.871 -7.108 167 1HD1 LEU 22 HD11 LEU 22 7.786 5.660 -6.035 168 2HD1 LEU 22 HD12 LEU 22 8.326 7.056 -6.981 169 3HD1 LEU 22 HD13 LEU 22 7.849 5.580 -7.798 170 1HD2 LEU 22 HD21 LEU 22 4.846 7.833 -5.835 171 2HD2 LEU 22 HD22 LEU 22 6.511 8.382 -5.703 172 3HD2 LEU 22 HD23 LEU 22 6.010 6.892 -4.914 173 H ALA 23 HN ALA 23 7.216 11.099 -9.399 174 HA ALA 23 HA ALA 23 6.826 10.275 -12.092 175 1HB ALA 23 HB1 ALA 23 6.831 12.701 -12.614 176 2HB ALA 23 HB2 ALA 23 7.205 13.036 -10.926 177 3HB ALA 23 HB3 ALA 23 5.671 12.276 -11.355 178 H GLY 24 HN GLY 24 8.809 9.096 -12.290 179 1HA GLY 24 HA2 GLY 24 10.976 9.921 -13.532 180 2HA GLY 24 HA1 GLY 24 11.260 10.602 -11.921 181 H ILE 25 HN ILE 25 9.793 8.278 -10.836 182 HA ILE 25 HA ILE 25 12.153 6.646 -10.385 183 HB ILE 25 HB ILE 25 9.380 6.419 -9.152 184 1HG1 ILE 25 HG12 ILE 25 10.265 8.672 -8.757 185 2HG1 ILE 25 HG11 ILE 25 10.191 7.742 -7.270 186 1HG2 ILE 25 HG21 ILE 25 10.734 4.435 -8.814 187 2HG2 ILE 25 HG22 ILE 25 10.513 5.294 -7.290 188 3HG2 ILE 25 HG23 ILE 25 12.045 5.417 -8.158 189 1HD1 ILE 25 HD11 ILE 25 12.592 7.352 -7.396 190 2HD1 ILE 25 HD12 ILE 25 12.207 9.075 -7.383 191 3HD1 ILE 25 HD13 ILE 25 12.670 8.285 -8.895 192 H ASN 26 HN ASN 26 11.954 4.272 -10.574 193 HA ASN 26 HA ASN 26 10.310 3.532 -12.871 194 1HB ASN 26 HB2 ASN 26 12.775 2.925 -12.802 195 2HB ASN 26 HB1 ASN 26 12.429 1.887 -11.427 196 1HD2 ASN 26 HD21 ASN 26 13.523 1.133 -14.045 197 2HD2 ASN 26 HD22 ASN 26 12.366 0.021 -14.698 198 H LEU 27 HN LEU 27 8.455 2.449 -12.597 199 HA LEU 27 HA LEU 27 7.756 1.525 -9.895 200 1HB LEU 27 HB2 LEU 27 6.037 2.225 -12.266 201 2HB LEU 27 HB1 LEU 27 5.426 1.622 -10.741 202 HG LEU 27 HG LEU 27 6.880 4.241 -11.121 203 1HD1 LEU 27 HD11 LEU 27 4.640 4.232 -12.118 204 2HD1 LEU 27 HD12 LEU 27 4.707 5.254 -10.685 205 3HD1 LEU 27 HD13 LEU 27 3.969 3.657 -10.592 206 1HD2 LEU 27 HD21 LEU 27 5.531 3.051 -8.698 207 2HD2 LEU 27 HD22 LEU 27 6.217 4.672 -8.806 208 3HD2 LEU 27 HD23 LEU 27 7.266 3.258 -8.924 209 H ASP 28 HN ASP 28 9.076 0.210 -12.499 210 HA ASP 28 HA ASP 28 7.425 -2.224 -12.501 211 1HB ASP 28 HB2 ASP 28 9.931 -1.656 -14.129 212 2HB ASP 28 HB1 ASP 28 8.806 -2.985 -14.354 213 H SER 29 HN SER 29 9.617 -0.894 -10.653 214 HA SER 29 HA SER 29 11.421 -3.133 -10.361 215 1HB SER 29 HB2 SER 29 11.334 -0.485 -8.919 216 2HB SER 29 HB1 SER 29 12.642 -1.672 -8.866 217 HG SER 29 HG SER 29 12.178 -1.261 -11.396 218 H SER 30 HN SER 30 11.583 -4.321 -8.534 219 HA SER 30 HA SER 30 9.173 -4.793 -7.110 220 1HB SER 30 HB2 SER 30 11.967 -5.864 -6.723 221 2HB SER 30 HB1 SER 30 10.512 -6.560 -6.022 222 HG SER 30 HG SER 30 11.589 -7.180 -8.228 223 H LEU 31 HN LEU 31 8.920 -4.617 -4.787 224 HA LEU 31 HA LEU 31 9.762 -2.194 -3.659 225 1HB LEU 31 HB2 LEU 31 7.693 -3.313 -2.997 226 2HB LEU 31 HB1 LEU 31 8.598 -4.651 -2.340 227 HG LEU 31 HG LEU 31 9.412 -3.284 -0.515 228 1HD1 LEU 31 HD11 LEU 31 7.894 -1.066 -1.843 229 2HD1 LEU 31 HD12 LEU 31 9.659 -1.237 -1.728 230 3HD1 LEU 31 HD13 LEU 31 8.697 -0.992 -0.261 231 1HD2 LEU 31 HD21 LEU 31 6.463 -2.872 -0.951 232 2HD2 LEU 31 HD22 LEU 31 7.312 -2.757 0.591 233 3HD2 LEU 31 HD23 LEU 31 7.217 -4.303 -0.252 234 H ALA 32 HN ALA 32 11.032 -5.370 -3.531 235 HA ALA 32 HA ALA 32 12.728 -4.958 -1.338 236 1HB ALA 32 HB1 ALA 32 13.895 -6.989 -2.045 237 2HB ALA 32 HB2 ALA 32 13.052 -6.928 -3.591 238 3HB ALA 32 HB3 ALA 32 12.144 -7.196 -2.099 239 H ASP 33 HN ASP 33 12.983 -4.288 -4.710 240 HA ASP 33 HA ASP 33 15.799 -3.903 -4.839 241 1HB ASP 33 HB2 ASP 33 14.054 -4.350 -6.722 242 2HB ASP 33 HB1 ASP 33 13.768 -2.620 -6.649 243 H LEU 34 HN LEU 34 12.928 -2.010 -4.365 244 HA LEU 34 HA LEU 34 13.891 0.616 -4.436 245 1HB LEU 34 HB2 LEU 34 11.672 -0.405 -2.687 246 2HB LEU 34 HB1 LEU 34 11.885 1.225 -3.286 247 HG LEU 34 HG LEU 34 11.191 -1.192 -4.943 248 1HD1 LEU 34 HD11 LEU 34 9.031 -0.125 -5.197 249 2HD1 LEU 34 HD12 LEU 34 9.531 1.149 -4.065 250 3HD1 LEU 34 HD13 LEU 34 9.415 -0.532 -3.521 251 1HD2 LEU 34 HD21 LEU 34 11.402 1.707 -5.732 252 2HD2 LEU 34 HD22 LEU 34 10.798 0.374 -6.732 253 3HD2 LEU 34 HD23 LEU 34 12.489 0.396 -6.230 254 H GLY 35 HN GLY 35 13.647 -1.685 -1.785 255 1HA GLY 35 HA2 GLY 35 15.811 -0.885 -0.331 256 2HA GLY 35 HA1 GLY 35 14.559 0.233 0.172 257 H LEU 36 HN LEU 36 13.020 -2.629 -0.539 258 HA LEU 36 HA LEU 36 12.795 -3.214 2.225 259 1HB LEU 36 HB2 LEU 36 10.770 -3.449 1.265 260 2HB LEU 36 HB1 LEU 36 11.361 -4.142 -0.214 261 HG LEU 36 HG LEU 36 11.690 -6.311 0.984 262 1HD1 LEU 36 HD11 LEU 36 10.375 -4.924 3.306 263 2HD1 LEU 36 HD12 LEU 36 12.043 -5.491 3.233 264 3HD1 LEU 36 HD13 LEU 36 10.717 -6.649 3.186 265 1HD2 LEU 36 HD21 LEU 36 9.645 -5.889 -0.227 266 2HD2 LEU 36 HD22 LEU 36 8.934 -5.143 1.206 267 3HD2 LEU 36 HD23 LEU 36 9.333 -6.859 1.213 268 H ASP 37 HN ASP 37 14.236 -4.153 3.204 269 HA ASP 37 HA ASP 37 15.113 -6.778 2.223 270 1HB ASP 37 HB2 ASP 37 17.198 -6.565 3.379 271 2HB ASP 37 HB1 ASP 37 16.980 -5.037 2.540 272 H SER 38 HN SER 38 13.762 -4.794 4.776 273 HA SER 38 HA SER 38 12.637 -7.072 6.067 274 1HB SER 38 HB2 SER 38 13.703 -6.409 8.310 275 2HB SER 38 HB1 SER 38 14.724 -7.260 7.146 276 HG SER 38 HG SER 38 15.841 -5.473 6.756 277 H LEU 39 HN LEU 39 13.433 -3.708 7.105 278 HA LEU 39 HA LEU 39 11.060 -3.250 8.490 279 1HB LEU 39 HB2 LEU 39 13.079 -1.914 8.829 280 2HB LEU 39 HB1 LEU 39 12.940 -1.242 7.231 281 HG LEU 39 HG LEU 39 12.374 0.285 9.170 282 1HD1 LEU 39 HD11 LEU 39 10.220 -0.059 7.097 283 2HD1 LEU 39 HD12 LEU 39 11.693 0.896 6.932 284 3HD1 LEU 39 HD13 LEU 39 10.465 1.365 8.108 285 1HD2 LEU 39 HD21 LEU 39 10.135 0.115 10.148 286 2HD2 LEU 39 HD22 LEU 39 11.135 -1.286 10.541 287 3HD2 LEU 39 HD23 LEU 39 9.890 -1.412 9.300 288 H MET 40 HN MET 40 11.747 -2.614 5.115 289 HA MET 40 HA MET 40 9.178 -1.307 4.687 290 1HB MET 40 HB2 MET 40 11.204 -2.262 2.667 291 2HB MET 40 HB1 MET 40 9.760 -1.331 2.293 292 1HG MET 40 HG2 MET 40 10.643 0.475 3.786 293 2HG MET 40 HG1 MET 40 12.140 -0.449 3.905 294 1HE MET 40 HE1 MET 40 9.743 0.027 0.814 295 2HE MET 40 HE2 MET 40 10.508 1.404 0.018 296 3HE MET 40 HE3 MET 40 9.755 1.606 1.601 297 H GLY 41 HN GLY 41 9.620 -4.250 5.494 298 1HA GLY 41 HA2 GLY 41 7.327 -5.138 3.886 299 2HA GLY 41 HA1 GLY 41 8.429 -6.225 4.745 300 H VAL 42 HN VAL 42 8.701 -4.791 7.076 301 HA VAL 42 HA VAL 42 6.515 -5.643 8.629 302 HB VAL 42 HB VAL 42 8.611 -3.572 9.333 303 1HG1 VAL 42 HG11 VAL 42 6.731 -3.497 10.846 304 2HG1 VAL 42 HG12 VAL 42 8.143 -4.165 11.669 305 3HG1 VAL 42 HG13 VAL 42 6.844 -5.237 11.126 306 1HG2 VAL 42 HG21 VAL 42 8.624 -6.554 9.782 307 2HG2 VAL 42 HG22 VAL 42 9.824 -5.414 10.397 308 3HG2 VAL 42 HG23 VAL 42 9.650 -5.659 8.659 309 H GLU 43 HN GLU 43 7.446 -2.384 7.546 310 HA GLU 43 HA GLU 43 5.428 -0.910 8.770 311 1HB GLU 43 HB2 GLU 43 7.359 0.059 7.553 312 2HB GLU 43 HB1 GLU 43 6.643 -0.452 6.035 313 1HG GLU 43 HG2 GLU 43 6.154 1.886 6.277 314 2HG GLU 43 HG1 GLU 43 4.692 0.958 6.558 315 H VAL 44 HN VAL 44 5.448 -2.634 5.741 316 HA VAL 44 HA VAL 44 2.962 -1.869 4.682 317 HB VAL 44 HB VAL 44 4.382 -4.511 4.335 318 1HG1 VAL 44 HG11 VAL 44 2.155 -4.483 3.412 319 2HG1 VAL 44 HG12 VAL 44 3.395 -4.519 2.142 320 3HG1 VAL 44 HG13 VAL 44 2.545 -3.011 2.505 321 1HG2 VAL 44 HG21 VAL 44 5.514 -3.471 2.445 322 2HG2 VAL 44 HG22 VAL 44 5.923 -2.775 4.012 323 3HG2 VAL 44 HG23 VAL 44 4.825 -1.905 2.921 324 H ARG 45 HN ARG 45 3.960 -4.523 6.738 325 HA ARG 45 HA ARG 45 1.414 -5.756 6.892 326 1HB ARG 45 HB2 ARG 45 3.760 -5.928 8.766 327 2HB ARG 45 HB1 ARG 45 2.391 -7.011 8.809 328 1HG ARG 45 HG2 ARG 45 2.968 -7.751 6.512 329 2HG ARG 45 HG1 ARG 45 4.398 -6.716 6.590 330 1HD ARG 45 HD2 ARG 45 3.743 -9.088 8.311 331 2HD ARG 45 HD1 ARG 45 5.081 -8.920 7.172 332 HE ARG 45 HE ARG 45 5.051 -6.952 9.239 333 1HH1 ARG 45 HH11 ARG 45 6.224 -10.174 8.378 334 2HH1 ARG 45 HH12 ARG 45 7.385 -10.248 9.622 335 1HH2 ARG 45 HH21 ARG 45 6.586 -7.139 11.074 336 2HH2 ARG 45 HH22 ARG 45 7.562 -8.530 11.172 337 H GLN 46 HN GLN 46 2.951 -3.186 8.666 338 HA GLN 46 HA GLN 46 1.000 -3.218 10.750 339 1HB GLN 46 HB2 GLN 46 2.867 -0.976 9.900 340 2HB GLN 46 HB1 GLN 46 1.946 -1.009 11.397 341 1HG GLN 46 HG2 GLN 46 4.027 -3.044 10.672 342 2HG GLN 46 HG1 GLN 46 4.366 -1.580 11.591 343 1HE2 GLN 46 HE21 GLN 46 4.572 -4.393 12.297 344 2HE2 GLN 46 HE22 GLN 46 3.654 -4.565 13.748 345 H ILE 47 HN ILE 47 1.057 -2.075 7.582 346 HA ILE 47 HA ILE 47 -1.135 -0.228 8.001 347 HB ILE 47 HB ILE 47 0.106 -1.140 5.388 348 1HG1 ILE 47 HG12 ILE 47 0.656 1.389 6.962 349 2HG1 ILE 47 HG11 ILE 47 1.727 -0.001 6.909 350 1HG2 ILE 47 HG21 ILE 47 -0.953 0.893 4.488 351 2HG2 ILE 47 HG22 ILE 47 -1.640 1.231 6.078 352 3HG2 ILE 47 HG23 ILE 47 -2.146 -0.202 5.182 353 1HD1 ILE 47 HD11 ILE 47 2.530 1.740 5.450 354 2HD1 ILE 47 HD12 ILE 47 0.987 1.786 4.595 355 3HD1 ILE 47 HD13 ILE 47 2.017 0.355 4.487 356 H LEU 48 HN LEU 48 -0.512 -3.253 6.255 357 HA LEU 48 HA LEU 48 -3.343 -3.550 5.768 358 1HB LEU 48 HB2 LEU 48 -0.999 -5.196 4.845 359 2HB LEU 48 HB1 LEU 48 -2.656 -5.678 4.566 360 HG LEU 48 HG LEU 48 -1.885 -4.716 2.571 361 1HD1 LEU 48 HD11 LEU 48 -3.336 -2.789 2.237 362 2HD1 LEU 48 HD12 LEU 48 -3.574 -2.692 3.984 363 3HD1 LEU 48 HD13 LEU 48 -4.127 -4.115 3.095 364 1HD2 LEU 48 HD21 LEU 48 0.064 -3.501 3.375 365 2HD2 LEU 48 HD22 LEU 48 -0.974 -2.295 4.136 366 3HD2 LEU 48 HD23 LEU 48 -0.943 -2.453 2.378 367 H GLU 49 HN GLU 49 -0.891 -5.485 7.460 368 HA GLU 49 HA GLU 49 -2.714 -7.482 8.284 369 1HB GLU 49 HB2 GLU 49 -0.429 -8.117 8.088 370 2HB GLU 49 HB1 GLU 49 0.095 -6.811 9.130 371 1HG GLU 49 HG2 GLU 49 -1.048 -7.940 11.024 372 2HG GLU 49 HG1 GLU 49 -1.414 -9.285 9.943 373 H ARG 50 HN ARG 50 -1.231 -4.840 9.951 374 HA ARG 50 HA ARG 50 -2.326 -5.320 12.490 375 1HB ARG 50 HB2 ARG 50 -0.416 -3.949 12.203 376 2HB ARG 50 HB1 ARG 50 -1.286 -2.834 11.171 377 1HG ARG 50 HG2 ARG 50 -2.640 -2.146 13.108 378 2HG ARG 50 HG1 ARG 50 -1.689 -3.239 14.126 379 1HD ARG 50 HD2 ARG 50 0.337 -2.074 13.512 380 2HD ARG 50 HD1 ARG 50 -0.582 -0.997 12.469 381 HE ARG 50 HE ARG 50 -1.764 -0.441 14.676 382 1HH1 ARG 50 HH11 ARG 50 1.640 -1.280 14.359 383 2HH1 ARG 50 HH12 ARG 50 2.212 -0.183 15.514 384 1HH2 ARG 50 HH21 ARG 50 -1.054 1.072 16.291 385 2HH2 ARG 50 HH22 ARG 50 0.596 1.266 16.665 386 H GLU 51 HN GLU 51 -3.599 -3.609 9.744 387 HA GLU 51 HA GLU 51 -5.776 -2.564 11.393 388 1HB GLU 51 HB2 GLU 51 -4.948 -1.851 8.608 389 2HB GLU 51 HB1 GLU 51 -6.277 -1.114 9.486 390 1HG GLU 51 HG2 GLU 51 -3.387 -1.020 10.336 391 2HG GLU 51 HG1 GLU 51 -4.280 0.293 9.566 392 H HIS 52 HN HIS 52 -5.401 -4.179 8.216 393 HA HIS 52 HA HIS 52 -8.310 -4.603 8.275 394 1HB HIS 52 HB2 HIS 52 -7.076 -3.374 6.310 395 2HB HIS 52 HB1 HIS 52 -6.553 -4.978 5.858 396 HD1 HIS 52 HD1 HIS 52 -7.897 -5.099 3.630 397 HD2 HIS 52 HD2 HIS 52 -10.269 -4.288 6.958 398 HE1 HIS 52 HE1 HIS 52 -10.245 -5.234 2.832 399 HE2 HIS 52 HE2 HIS 52 -11.668 -4.815 4.837 400 H ASP 53 HN ASP 53 -5.741 -6.236 9.285 401 HA ASP 53 HA ASP 53 -5.219 -8.363 9.759 402 1HB ASP 53 HB2 ASP 53 -7.591 -8.685 10.367 403 2HB ASP 53 HB1 ASP 53 -7.994 -9.031 8.694 404 H LEU 54 HN LEU 54 -5.052 -7.157 6.974 405 HA LEU 54 HA LEU 54 -4.769 -9.491 5.323 406 1HB LEU 54 HB2 LEU 54 -4.527 -6.587 4.851 407 2HB LEU 54 HB1 LEU 54 -3.571 -7.603 3.805 408 HG LEU 54 HG LEU 54 -5.624 -8.753 3.071 409 1HD1 LEU 54 HD11 LEU 54 -7.037 -6.737 4.790 410 2HD1 LEU 54 HD12 LEU 54 -6.979 -8.478 5.053 411 3HD1 LEU 54 HD13 LEU 54 -7.808 -7.829 3.637 412 1HD2 LEU 54 HD21 LEU 54 -4.784 -6.867 1.802 413 2HD2 LEU 54 HD22 LEU 54 -5.700 -5.755 2.821 414 3HD2 LEU 54 HD23 LEU 54 -6.550 -6.892 1.780 415 H VAL 55 HN VAL 55 -3.364 -10.651 6.464 416 HA VAL 55 HA VAL 55 -0.712 -9.768 7.008 417 HB VAL 55 HB VAL 55 -1.690 -12.626 6.781 418 1HG1 VAL 55 HG11 VAL 55 0.262 -13.163 8.187 419 2HG1 VAL 55 HG12 VAL 55 0.757 -11.474 8.136 420 3HG1 VAL 55 HG13 VAL 55 0.746 -12.429 6.659 421 1HG2 VAL 55 HG21 VAL 55 -1.504 -10.846 9.215 422 2HG2 VAL 55 HG22 VAL 55 -1.918 -12.560 9.225 423 3HG2 VAL 55 HG23 VAL 55 -2.989 -11.397 8.441 424 H LEU 56 HN LEU 56 0.199 -9.018 5.260 425 HA LEU 56 HA LEU 56 0.432 -10.728 2.920 426 1HB LEU 56 HB2 LEU 56 1.385 -7.945 3.404 427 2HB LEU 56 HB1 LEU 56 1.424 -8.777 1.868 428 HG LEU 56 HG LEU 56 -1.069 -7.885 3.330 429 1HD1 LEU 56 HD11 LEU 56 -1.335 -6.365 1.432 430 2HD1 LEU 56 HD12 LEU 56 0.217 -6.909 0.794 431 3HD1 LEU 56 HD13 LEU 56 0.148 -6.047 2.333 432 1HD2 LEU 56 HD21 LEU 56 -0.780 -9.254 0.653 433 2HD2 LEU 56 HD22 LEU 56 -2.280 -8.635 1.342 434 3HD2 LEU 56 HD23 LEU 56 -1.439 -9.975 2.120 435 HA PRO 57 HA PRO 57 4.333 -11.774 4.862 436 1HB PRO 57 HB2 PRO 57 4.467 -13.609 2.553 437 2HB PRO 57 HB1 PRO 57 4.552 -13.975 4.281 438 1HG PRO 57 HG2 PRO 57 2.348 -14.638 2.938 439 2HG PRO 57 HG1 PRO 57 2.220 -13.852 4.537 440 1HD PRO 57 HD2 PRO 57 2.056 -12.553 1.850 441 2HD PRO 57 HD1 PRO 57 0.887 -12.489 3.196 442 H ILE 58 HN ILE 58 6.425 -11.381 4.311 443 HA ILE 58 HA ILE 58 6.831 -9.309 2.487 444 HB ILE 58 HB ILE 58 8.774 -10.948 4.133 445 1HG1 ILE 58 HG12 ILE 58 9.263 -8.704 5.154 446 2HG1 ILE 58 HG11 ILE 58 7.987 -8.048 4.134 447 1HG2 ILE 58 HG21 ILE 58 10.627 -9.527 3.455 448 2HG2 ILE 58 HG22 ILE 58 9.600 -8.777 2.227 449 3HG2 ILE 58 HG23 ILE 58 10.000 -10.493 2.118 450 1HD1 ILE 58 HD11 ILE 58 7.650 -10.109 6.302 451 2HD1 ILE 58 HD12 ILE 58 6.361 -9.459 5.290 452 3HD1 ILE 58 HD13 ILE 58 7.220 -8.401 6.410 453 H ARG 59 HN ARG 59 7.013 -12.667 2.069 454 HA ARG 59 HA ARG 59 8.445 -13.102 -0.248 455 1HB ARG 59 HB2 ARG 59 5.697 -14.196 0.403 456 2HB ARG 59 HB1 ARG 59 6.661 -14.744 -0.946 457 1HG ARG 59 HG2 ARG 59 6.886 -16.363 0.722 458 2HG ARG 59 HG1 ARG 59 8.389 -15.456 0.753 459 1HD ARG 59 HD2 ARG 59 7.694 -14.288 2.744 460 2HD ARG 59 HD1 ARG 59 6.077 -14.974 2.645 461 HE ARG 59 HE ARG 59 7.673 -17.133 2.666 462 1HH1 ARG 59 HH11 ARG 59 7.577 -14.358 4.877 463 2HH1 ARG 59 HH12 ARG 59 7.800 -15.303 6.279 464 1HH2 ARG 59 HH21 ARG 59 8.053 -18.386 4.582 465 2HH2 ARG 59 HH22 ARG 59 8.097 -17.655 6.113 466 H GLU 60 HN GLU 60 5.037 -12.063 -0.108 467 HA GLU 60 HA GLU 60 5.013 -11.438 -2.925 468 1HB GLU 60 HB2 GLU 60 2.943 -11.121 -0.765 469 2HB GLU 60 HB1 GLU 60 2.673 -10.639 -2.431 470 1HG GLU 60 HG2 GLU 60 3.245 -13.419 -1.424 471 2HG GLU 60 HG1 GLU 60 1.708 -12.806 -2.035 472 H VAL 61 HN VAL 61 5.193 -9.759 0.098 473 HA VAL 61 HA VAL 61 4.659 -7.176 -0.776 474 HB VAL 61 HB VAL 61 6.388 -8.093 1.552 475 1HG1 VAL 61 HG11 VAL 61 5.256 -5.352 0.996 476 2HG1 VAL 61 HG12 VAL 61 6.968 -5.788 0.971 477 3HG1 VAL 61 HG13 VAL 61 6.056 -5.854 2.481 478 1HG2 VAL 61 HG21 VAL 61 3.545 -7.119 1.416 479 2HG2 VAL 61 HG22 VAL 61 4.415 -7.576 2.884 480 3HG2 VAL 61 HG23 VAL 61 4.061 -8.788 1.645 481 H ARG 62 HN ARG 62 7.613 -9.024 -1.028 482 HA ARG 62 HA ARG 62 9.306 -6.876 -1.622 483 1HB ARG 62 HB2 ARG 62 9.580 -9.793 -2.310 484 2HB ARG 62 HB1 ARG 62 10.817 -8.602 -2.701 485 1HG ARG 62 HG2 ARG 62 11.004 -8.012 -0.377 486 2HG ARG 62 HG1 ARG 62 9.756 -9.175 0.039 487 1HD ARG 62 HD2 ARG 62 11.865 -10.222 0.529 488 2HD ARG 62 HD1 ARG 62 11.186 -11.002 -0.896 489 HE ARG 62 HE ARG 62 12.742 -9.574 -2.199 490 1HH1 ARG 62 HH11 ARG 62 13.540 -10.561 1.161 491 2HH1 ARG 62 HH12 ARG 62 15.211 -10.262 0.933 492 1HH2 ARG 62 HH21 ARG 62 15.061 -9.214 -2.391 493 2HH2 ARG 62 HH22 ARG 62 16.070 -9.485 -1.027 494 H GLN 63 HN GLN 63 6.789 -8.040 -3.545 495 HA GLN 63 HA GLN 63 8.088 -6.983 -5.958 496 1HB GLN 63 HB2 GLN 63 5.739 -8.872 -5.732 497 2HB GLN 63 HB1 GLN 63 6.180 -8.068 -7.222 498 1HG GLN 63 HG2 GLN 63 7.069 -10.215 -7.380 499 2HG GLN 63 HG1 GLN 63 8.435 -9.174 -6.999 500 1HE2 GLN 63 HE21 GLN 63 6.003 -10.291 -4.742 501 2HE2 GLN 63 HE22 GLN 63 7.073 -11.241 -3.785 502 H LEU 64 HN LEU 64 6.330 -5.836 -3.587 503 HA LEU 64 HA LEU 64 4.203 -4.628 -5.062 504 1HB LEU 64 HB2 LEU 64 5.305 -3.828 -2.369 505 2HB LEU 64 HB1 LEU 64 3.779 -3.297 -3.049 506 HG LEU 64 HG LEU 64 4.526 -6.050 -2.127 507 1HD1 LEU 64 HD11 LEU 64 3.917 -4.559 -0.347 508 2HD1 LEU 64 HD12 LEU 64 2.656 -5.769 -0.582 509 3HD1 LEU 64 HD13 LEU 64 2.425 -4.127 -1.182 510 1HD2 LEU 64 HD21 LEU 64 1.987 -5.196 -3.519 511 2HD2 LEU 64 HD22 LEU 64 2.271 -6.773 -2.781 512 3HD2 LEU 64 HD23 LEU 64 3.225 -6.266 -4.174 513 H THR 65 HN THR 65 4.520 -3.218 -6.580 514 HA THR 65 HA THR 65 7.002 -1.878 -6.944 515 HB THR 65 HB THR 65 5.823 -1.232 -9.075 516 HG1 THR 65 HG1 THR 65 3.900 -3.074 -8.895 517 1HG2 THR 65 HG21 THR 65 7.248 -3.218 -8.784 518 2HG2 THR 65 HG22 THR 65 5.873 -3.550 -9.875 519 3HG2 THR 65 HG23 THR 65 5.829 -4.072 -8.178 520 H LEU 66 HN LEU 66 5.716 -0.845 -4.740 521 HA LEU 66 HA LEU 66 5.350 1.093 -3.655 522 1HB LEU 66 HB2 LEU 66 7.286 1.772 -5.223 523 2HB LEU 66 HB1 LEU 66 6.075 2.583 -6.183 524 HG LEU 66 HG LEU 66 7.294 4.143 -4.767 525 1HD1 LEU 66 HD11 LEU 66 4.457 3.804 -3.864 526 2HD1 LEU 66 HD12 LEU 66 5.011 4.694 -5.283 527 3HD1 LEU 66 HD13 LEU 66 5.436 5.262 -3.663 528 1HD2 LEU 66 HD21 LEU 66 7.101 4.062 -2.331 529 2HD2 LEU 66 HD22 LEU 66 7.905 2.628 -2.973 530 3HD2 LEU 66 HD23 LEU 66 6.221 2.538 -2.457 531 H ARG 67 HN ARG 67 4.055 1.656 -6.972 532 HA ARG 67 HA ARG 67 1.864 3.082 -5.773 533 1HB ARG 67 HB2 ARG 67 2.492 2.478 -8.650 534 2HB ARG 67 HB1 ARG 67 0.976 3.218 -8.162 535 1HG ARG 67 HG2 ARG 67 3.727 4.360 -7.703 536 2HG ARG 67 HG1 ARG 67 2.564 4.895 -8.917 537 1HD ARG 67 HD2 ARG 67 0.978 5.258 -6.907 538 2HD ARG 67 HD1 ARG 67 2.426 5.135 -5.932 539 HE ARG 67 HE ARG 67 3.329 7.012 -7.378 540 1HH1 ARG 67 HH11 ARG 67 -0.079 6.756 -6.468 541 2HH1 ARG 67 HH12 ARG 67 -0.459 8.363 -6.877 542 1HH2 ARG 67 HH21 ARG 67 2.797 9.255 -7.945 543 2HH2 ARG 67 HH22 ARG 67 1.196 9.779 -7.751 544 H LYS 68 HN LYS 68 2.440 -0.125 -6.674 545 HA LYS 68 HA LYS 68 -0.253 -0.958 -6.876 546 1HB LYS 68 HB2 LYS 68 1.695 -2.421 -7.479 547 2HB LYS 68 HB1 LYS 68 2.049 -2.573 -5.758 548 1HG LYS 68 HG2 LYS 68 -0.063 -3.678 -5.371 549 2HG LYS 68 HG1 LYS 68 -0.517 -3.461 -7.060 550 1HD LYS 68 HD2 LYS 68 1.372 -4.876 -7.731 551 2HD LYS 68 HD1 LYS 68 1.788 -5.106 -6.028 552 1HE LYS 68 HE2 LYS 68 -0.340 -6.175 -5.618 553 2HE LYS 68 HE1 LYS 68 -0.850 -5.867 -7.274 554 1HZ LYS 68 HZ1 LYS 68 -0.105 -8.142 -7.030 555 2HZ LYS 68 HZ2 LYS 68 1.378 -7.653 -6.430 556 3HZ LYS 68 HZ3 LYS 68 0.972 -7.305 -8.030 557 H LEU 69 HN LEU 69 1.752 -0.122 -4.247 558 HA LEU 69 HA LEU 69 0.407 -1.261 -2.050 559 1HB LEU 69 HB2 LEU 69 1.962 1.303 -2.234 560 2HB LEU 69 HB1 LEU 69 1.092 0.916 -0.771 561 HG LEU 69 HG LEU 69 3.411 0.372 -0.526 562 1HD1 LEU 69 HD11 LEU 69 1.848 -1.027 0.639 563 2HD1 LEU 69 HD12 LEU 69 3.260 -1.958 0.143 564 3HD1 LEU 69 HD13 LEU 69 1.746 -2.108 -0.749 565 1HD2 LEU 69 HD21 LEU 69 4.506 -1.369 -1.864 566 2HD2 LEU 69 HD22 LEU 69 4.027 0.011 -2.849 567 3HD2 LEU 69 HD23 LEU 69 3.071 -1.475 -2.882 568 H GLN 70 HN GLN 70 -0.355 1.703 -3.779 569 HA GLN 70 HA GLN 70 -2.588 2.254 -1.990 570 1HB GLN 70 HB2 GLN 70 -2.996 4.223 -3.447 571 2HB GLN 70 HB1 GLN 70 -1.377 4.185 -2.758 572 1HG GLN 70 HG2 GLN 70 -0.389 3.661 -4.734 573 2HG GLN 70 HG1 GLN 70 -1.896 3.098 -5.501 574 1HE2 GLN 70 HE21 GLN 70 -1.739 4.384 -7.223 575 2HE2 GLN 70 HE22 GLN 70 -1.877 6.092 -7.203 576 H GLU 71 HN GLU 71 -2.204 0.117 -4.350 577 HA GLU 71 HA GLU 71 -4.888 0.490 -5.476 578 1HB GLU 71 HB2 GLU 71 -2.897 0.178 -7.001 579 2HB GLU 71 HB1 GLU 71 -2.680 -1.415 -6.305 580 1HG GLU 71 HG2 GLU 71 -4.856 -2.084 -7.176 581 2HG GLU 71 HG1 GLU 71 -5.068 -0.478 -7.876 582 H MET 72 HN MET 72 -2.941 -1.388 -3.414 583 HA MET 72 HA MET 72 -5.159 -3.265 -2.923 584 1HB MET 72 HB2 MET 72 -3.477 -4.840 -2.112 585 2HB MET 72 HB1 MET 72 -3.088 -4.334 -3.746 586 1HG MET 72 HG2 MET 72 -1.475 -2.682 -2.723 587 2HG MET 72 HG1 MET 72 -1.757 -3.480 -1.185 588 1HE MET 72 HE1 MET 72 -0.540 -7.142 -1.994 589 2HE MET 72 HE2 MET 72 -2.171 -6.511 -2.227 590 3HE MET 72 HE3 MET 72 -1.263 -6.090 -0.776 591 H SER 73 HN SER 73 -4.541 -0.518 -1.965 592 HA SER 73 HA SER 73 -3.488 -0.439 0.570 593 1HB SER 73 HB2 SER 73 -4.823 1.778 0.599 594 2HB SER 73 HB1 SER 73 -3.569 1.546 -0.607 595 HG SER 73 HG SER 73 -6.383 1.374 -0.969 596 H SER 74 HN SER 74 -6.740 -1.130 -0.534 597 HA SER 74 HA SER 74 -8.648 -1.828 0.552 598 1HB SER 74 HB2 SER 74 -6.687 -2.569 2.736 599 2HB SER 74 HB1 SER 74 -8.327 -3.197 2.565 600 HG SER 74 HG SER 74 -6.190 -3.532 0.726 601 H LYS 75 HN LYS 75 -7.992 0.871 0.756 602 HA LYS 75 HA LYS 75 -8.554 1.624 3.552 603 1HB LYS 75 HB2 LYS 75 -6.365 2.271 2.301 604 2HB LYS 75 HB1 LYS 75 -7.387 3.396 1.427 605 1HG LYS 75 HG2 LYS 75 -7.978 4.490 3.521 606 2HG LYS 75 HG1 LYS 75 -6.965 3.340 4.402 607 1HD LYS 75 HD2 LYS 75 -5.059 4.092 2.945 608 2HD LYS 75 HD1 LYS 75 -6.112 5.397 2.392 609 1HE LYS 75 HE2 LYS 75 -5.257 4.849 5.213 610 2HE LYS 75 HE1 LYS 75 -4.643 6.119 4.168 611 1HZ LYS 75 HZ1 LYS 75 -6.931 7.079 4.126 612 2HZ LYS 75 HZ2 LYS 75 -6.232 7.057 5.637 613 3HZ LYS 75 HZ3 LYS 75 -7.418 5.928 5.284 614 H ALA 76 HN ALA 76 -10.132 0.923 0.989 615 HA ALA 76 HA ALA 76 -11.966 1.400 -0.065 616 1HB ALA 76 HB1 ALA 76 -12.496 3.531 2.006 617 2HB ALA 76 HB2 ALA 76 -12.921 1.830 2.176 618 3HB ALA 76 HB3 ALA 76 -13.677 2.805 0.915 619 H GLY 77 HN GLY 77 -11.551 4.775 0.888 620 1HA GLY 77 HA2 GLY 77 -11.187 6.628 -0.391 621 2HA GLY 77 HA1 GLY 77 -10.304 5.593 -1.509 622 H SER 78 HN SER 78 -11.211 5.000 -3.353 623 HA SER 78 HA SER 78 -13.738 6.105 -4.074 624 1HB SER 78 HB2 SER 78 -13.092 4.948 -6.268 625 2HB SER 78 HB1 SER 78 -12.065 6.269 -5.702 626 HG SER 78 HG SER 78 -11.397 3.763 -6.221 627 H ASP 79 HN ASP 79 -12.566 3.144 -2.824 628 HA ASP 79 HA ASP 79 -14.749 1.540 -3.829 629 1HB ASP 79 HB2 ASP 79 -12.482 0.904 -1.957 630 2HB ASP 79 HB1 ASP 79 -13.866 -0.169 -2.078 631 H THR 80 HN THR 80 -16.195 3.144 -3.023 632 HA THR 80 HA THR 80 -17.447 2.079 -0.682 633 HB THR 80 HB THR 80 -16.873 5.070 -0.858 634 HG1 THR 80 HG1 THR 80 -15.373 3.117 0.057 635 1HG2 THR 80 HG21 THR 80 -17.890 5.128 1.379 636 2HG2 THR 80 HG22 THR 80 -18.222 3.398 1.268 637 3HG2 THR 80 HG23 THR 80 -19.024 4.522 0.173 638 H GLU 81 HN GLU 81 -19.167 1.468 -1.803 639 HA GLU 81 HA GLU 81 -20.456 3.475 -3.483 640 1HB GLU 81 HB2 GLU 81 -21.238 0.567 -3.126 641 2HB GLU 81 HB1 GLU 81 -21.938 1.697 -4.270 642 1HG GLU 81 HG2 GLU 81 -20.546 0.559 -5.664 643 2HG GLU 81 HG1 GLU 81 -19.438 1.820 -5.131 644 H LEU 82 HN LEU 82 -22.265 4.434 -2.852 645 HA LEU 82 HA LEU 82 -22.862 4.190 -0.050 646 1HB LEU 82 HB2 LEU 82 -22.716 6.370 -1.423 647 2HB LEU 82 HB1 LEU 82 -24.313 5.975 -2.005 648 HG LEU 82 HG LEU 82 -23.653 6.409 0.919 649 1HD1 LEU 82 HD11 LEU 82 -24.795 8.332 -1.087 650 2HD1 LEU 82 HD12 LEU 82 -23.207 8.427 -0.330 651 3HD1 LEU 82 HD13 LEU 82 -24.664 8.610 0.648 652 1HD2 LEU 82 HD21 LEU 82 -26.075 6.718 1.177 653 2HD2 LEU 82 HD22 LEU 82 -25.712 5.115 0.538 654 3HD2 LEU 82 HD23 LEU 82 -26.302 6.381 -0.540 655 H ALA 83 HN ALA 83 -23.753 2.285 0.247 656 HA ALA 83 HA ALA 83 -26.171 1.524 -1.179 657 1HB ALA 83 HB1 ALA 83 -24.572 0.089 0.947 658 2HB ALA 83 HB2 ALA 83 -24.460 -0.187 -0.791 659 3HB ALA 83 HB3 ALA 83 -25.949 -0.581 0.072 660 H ALA 84 HN ALA 84 -24.969 2.196 2.042 661 HA ALA 84 HA ALA 84 -27.728 2.670 2.916 662 1HB ALA 84 HB1 ALA 84 -26.941 2.165 5.188 663 2HB ALA 84 HB2 ALA 84 -25.324 1.853 4.554 664 3HB ALA 84 HB3 ALA 84 -26.668 0.802 4.100 665 HA PRO 85 HA PRO 85 -26.195 6.847 3.351 666 1HB PRO 85 HB2 PRO 85 -28.768 7.469 4.589 667 2HB PRO 85 HB1 PRO 85 -28.148 7.996 3.020 668 1HG PRO 85 HG2 PRO 85 -30.215 6.264 3.274 669 2HG PRO 85 HG1 PRO 85 -29.082 6.217 1.912 670 1HD PRO 85 HD2 PRO 85 -29.146 4.518 4.379 671 2HD PRO 85 HD1 PRO 85 -28.862 4.036 2.692 672 H LYS 86 HN LYS 86 -24.931 7.453 4.988 673 HA LYS 86 HA LYS 86 -25.403 6.378 7.643 674 1HB LYS 86 HB2 LYS 86 -23.126 8.080 6.634 675 2HB LYS 86 HB1 LYS 86 -23.173 7.164 8.133 676 1HG LYS 86 HG2 LYS 86 -23.173 5.082 6.889 677 2HG LYS 86 HG1 LYS 86 -23.213 5.977 5.367 678 1HD LYS 86 HD2 LYS 86 -21.009 6.041 7.424 679 2HD LYS 86 HD1 LYS 86 -20.949 5.236 5.857 680 1HE LYS 86 HE2 LYS 86 -21.241 8.204 6.329 681 2HE LYS 86 HE1 LYS 86 -19.775 7.384 5.812 682 1HZ LYS 86 HZ1 LYS 86 -20.929 6.724 3.781 683 2HZ LYS 86 HZ2 LYS 86 -20.848 8.401 3.977 684 3HZ LYS 86 HZ3 LYS 86 -22.309 7.617 4.239 685 H SER 87 HN SER 87 -26.791 7.523 8.750 686 HA SER 87 HA SER 87 -26.822 10.407 8.416 687 1HB SER 87 HB2 SER 87 -28.836 8.552 9.686 688 2HB SER 87 HB1 SER 87 -29.033 10.297 9.484 689 HG SER 87 HG SER 87 -28.632 9.895 7.219 690 H LYS 88 HN LYS 88 -25.770 7.967 10.545 691 HA LYS 88 HA LYS 88 -25.353 10.020 12.573 692 1HB LYS 88 HB2 LYS 88 -26.914 8.280 13.363 693 2HB LYS 88 HB1 LYS 88 -25.708 7.047 13.041 694 1HG LYS 88 HG2 LYS 88 -25.711 7.507 15.389 695 2HG LYS 88 HG1 LYS 88 -24.219 8.154 14.707 696 1HD LYS 88 HD2 LYS 88 -25.054 9.790 16.217 697 2HD LYS 88 HD1 LYS 88 -25.384 10.393 14.592 698 1HE LYS 88 HE2 LYS 88 -27.325 10.754 15.973 699 2HE LYS 88 HE1 LYS 88 -27.696 9.503 14.788 700 1HZ LYS 88 HZ1 LYS 88 -28.530 8.811 16.889 701 2HZ LYS 88 HZ2 LYS 88 -27.089 9.156 17.666 702 3HZ LYS 88 HZ3 LYS 88 -27.172 7.841 16.619 703 H ASN 89 HN ASN 89 -23.419 10.650 11.795 704 HA ASN 89 HA ASN 89 -21.201 10.849 11.775 705 1HB ASN 89 HB2 ASN 89 -21.183 8.425 13.588 706 2HB ASN 89 HB1 ASN 89 -19.822 9.508 13.313 707 1HD2 ASN 89 HD21 ASN 89 -21.132 8.879 15.775 708 2HD2 ASN 89 HD22 ASN 89 -21.780 10.365 16.413 Start of MODEL 9 1 1H GLY 1 HT1 GLY 1 -12.057 10.480 13.407 2 2H GLY 1 HT2 GLY 1 -11.863 9.263 14.527 3 3H GLY 1 HT3 GLY 1 -12.337 10.818 15.038 4 1HA GLY 1 HA1 GLY 1 -14.235 9.276 14.994 5 2HA GLY 1 HA2 GLY 1 -14.419 10.584 13.821 6 H ASP 2 HN ASP 2 -15.887 8.415 13.305 7 HA ASP 2 HA ASP 2 -14.424 6.528 11.728 8 1HB ASP 2 HB2 ASP 2 -17.417 6.889 11.989 9 2HB ASP 2 HB1 ASP 2 -16.653 5.610 11.057 10 H GLY 3 HN GLY 3 -13.435 8.159 10.516 11 1HA GLY 3 HA2 GLY 3 -14.770 8.414 7.921 12 2HA GLY 3 HA1 GLY 3 -14.080 9.864 8.659 13 H GLU 4 HN GLU 4 -12.761 6.761 9.181 14 HA GLU 4 HA GLU 4 -10.470 7.408 7.493 15 1HB GLU 4 HB2 GLU 4 -10.482 6.002 10.168 16 2HB GLU 4 HB1 GLU 4 -9.073 6.275 9.153 17 1HG GLU 4 HG2 GLU 4 -9.346 8.683 9.445 18 2HG GLU 4 HG1 GLU 4 -10.745 8.391 10.476 19 H ALA 5 HN ALA 5 -10.292 5.977 5.972 20 HA ALA 5 HA ALA 5 -11.483 3.342 6.348 21 1HB ALA 5 HB1 ALA 5 -12.289 4.599 4.409 22 2HB ALA 5 HB2 ALA 5 -11.368 3.186 3.892 23 3HB ALA 5 HB3 ALA 5 -10.633 4.788 3.831 24 H GLN 6 HN GLN 6 -8.666 4.945 4.901 25 HA GLN 6 HA GLN 6 -6.700 3.326 6.065 26 1HB GLN 6 HB2 GLN 6 -7.648 1.540 4.659 27 2HB GLN 6 HB1 GLN 6 -7.551 2.570 3.246 28 1HG GLN 6 HG2 GLN 6 -5.788 0.967 3.162 29 2HG GLN 6 HG1 GLN 6 -5.086 2.554 3.462 30 1HE2 GLN 6 HE21 GLN 6 -5.658 -0.573 4.660 31 2HE2 GLN 6 HE22 GLN 6 -4.657 -0.444 6.082 32 H ARG 7 HN ARG 7 -4.666 4.135 5.440 33 HA ARG 7 HA ARG 7 -4.674 6.565 3.839 34 1HB ARG 7 HB2 ARG 7 -3.332 6.402 5.957 35 2HB ARG 7 HB1 ARG 7 -2.379 5.125 5.209 36 1HG ARG 7 HG2 ARG 7 -1.832 6.815 3.396 37 2HG ARG 7 HG1 ARG 7 -2.511 8.029 4.477 38 1HD ARG 7 HD2 ARG 7 -0.219 6.178 5.103 39 2HD ARG 7 HD1 ARG 7 -0.076 7.868 4.643 40 HE ARG 7 HE ARG 7 -1.641 7.263 7.019 41 1HH1 ARG 7 HH11 ARG 7 1.408 8.420 5.613 42 2HH1 ARG 7 HH12 ARG 7 2.018 9.052 7.069 43 1HH2 ARG 7 HH21 ARG 7 -0.806 8.115 9.033 44 2HH2 ARG 7 HH22 ARG 7 0.735 8.836 9.086 45 H ASP 8 HN ASP 8 -3.396 6.710 1.902 46 HA ASP 8 HA ASP 8 -3.287 4.328 0.319 47 1HB ASP 8 HB2 ASP 8 -1.776 6.911 -0.182 48 2HB ASP 8 HB1 ASP 8 -2.089 5.639 -1.351 49 H LEU 9 HN LEU 9 -1.630 2.938 0.106 50 HA LEU 9 HA LEU 9 0.412 3.027 2.031 51 1HB LEU 9 HB2 LEU 9 0.172 1.273 -0.391 52 2HB LEU 9 HB1 LEU 9 1.362 1.048 0.869 53 HG LEU 9 HG LEU 9 -1.625 0.814 1.162 54 1HD1 LEU 9 HD11 LEU 9 -1.130 -1.534 1.627 55 2HD1 LEU 9 HD12 LEU 9 0.579 -1.234 1.315 56 3HD1 LEU 9 HD13 LEU 9 -0.597 -1.064 0.012 57 1HD2 LEU 9 HD21 LEU 9 -0.641 1.767 3.184 58 2HD2 LEU 9 HD22 LEU 9 0.547 0.464 3.230 59 3HD2 LEU 9 HD23 LEU 9 -1.163 0.106 3.463 60 H VAL 10 HN VAL 10 0.257 4.531 -0.975 61 HA VAL 10 HA VAL 10 3.104 4.750 -1.311 62 HB VAL 10 HB VAL 10 0.821 6.310 -2.598 63 1HG1 VAL 10 HG11 VAL 10 3.774 6.413 -3.270 64 2HG1 VAL 10 HG12 VAL 10 2.844 7.720 -2.535 65 3HG1 VAL 10 HG13 VAL 10 2.481 7.197 -4.180 66 1HG2 VAL 10 HG21 VAL 10 1.428 5.028 -4.586 67 2HG2 VAL 10 HG22 VAL 10 0.968 3.980 -3.246 68 3HG2 VAL 10 HG23 VAL 10 2.670 4.185 -3.660 69 H LYS 11 HN LYS 11 0.676 6.337 0.548 70 HA LYS 11 HA LYS 11 2.378 8.654 1.080 71 1HB LYS 11 HB2 LYS 11 -0.266 8.097 2.429 72 2HB LYS 11 HB1 LYS 11 0.533 9.625 2.066 73 1HG LYS 11 HG2 LYS 11 -0.712 7.819 0.008 74 2HG LYS 11 HG1 LYS 11 -1.487 9.234 0.711 75 1HD LYS 11 HD2 LYS 11 0.074 10.691 -0.304 76 2HD LYS 11 HD1 LYS 11 1.144 9.357 -0.736 77 1HE LYS 11 HE2 LYS 11 -0.100 10.156 -2.689 78 2HE LYS 11 HE1 LYS 11 -0.502 8.495 -2.295 79 1HZ LYS 11 HZ1 LYS 11 -2.624 9.243 -1.354 80 2HZ LYS 11 HZ2 LYS 11 -2.401 9.839 -2.915 81 3HZ LYS 11 HZ3 LYS 11 -2.149 10.869 -1.607 82 H ALA 12 HN ALA 12 2.507 5.664 1.894 83 HA ALA 12 HA ALA 12 3.160 6.128 4.716 84 1HB ALA 12 HB1 ALA 12 1.857 3.651 3.583 85 2HB ALA 12 HB2 ALA 12 1.060 4.880 4.562 86 3HB ALA 12 HB3 ALA 12 2.340 3.888 5.261 87 H VAL 13 HN VAL 13 3.546 3.585 2.210 88 HA VAL 13 HA VAL 13 6.074 2.765 3.215 89 HB VAL 13 HB VAL 13 4.672 2.123 0.599 90 1HG1 VAL 13 HG11 VAL 13 6.215 0.218 0.426 91 2HG1 VAL 13 HG12 VAL 13 7.075 0.790 1.860 92 3HG1 VAL 13 HG13 VAL 13 7.055 1.770 0.388 93 1HG2 VAL 13 HG21 VAL 13 4.099 -0.004 1.686 94 2HG2 VAL 13 HG22 VAL 13 3.427 1.373 2.556 95 3HG2 VAL 13 HG23 VAL 13 4.864 0.556 3.175 96 H ALA 14 HN ALA 14 5.043 4.408 0.217 97 HA ALA 14 HA ALA 14 7.663 4.974 -0.633 98 1HB ALA 14 HB1 ALA 14 6.644 6.559 -2.239 99 2HB ALA 14 HB2 ALA 14 5.132 6.485 -1.335 100 3HB ALA 14 HB3 ALA 14 5.708 5.061 -2.174 101 H HIS 15 HN HIS 15 5.553 6.507 1.592 102 HA HIS 15 HA HIS 15 6.764 9.035 1.837 103 1HB HIS 15 HB2 HIS 15 4.561 8.466 2.818 104 2HB HIS 15 HB1 HIS 15 5.349 7.399 3.961 105 HD1 HIS 15 HD1 HIS 15 4.341 10.900 3.432 106 HD2 HIS 15 HD2 HIS 15 6.829 8.798 6.016 107 HE1 HIS 15 HE1 HIS 15 4.756 12.431 5.378 108 HE2 HIS 15 HE2 HIS 15 6.042 10.993 7.035 109 H ILE 16 HN ILE 16 7.657 5.899 3.133 110 HA ILE 16 HA ILE 16 9.597 6.866 5.007 111 HB ILE 16 HB ILE 16 9.291 4.112 3.736 112 1HG1 ILE 16 HG12 ILE 16 7.313 4.720 5.024 113 2HG1 ILE 16 HG11 ILE 16 8.209 3.450 5.848 114 1HG2 ILE 16 HG21 ILE 16 10.920 4.873 6.157 115 2HG2 ILE 16 HG22 ILE 16 11.546 4.357 4.592 116 3HG2 ILE 16 HG23 ILE 16 10.632 3.228 5.590 117 1HD1 ILE 16 HD11 ILE 16 9.124 5.103 7.400 118 2HD1 ILE 16 HD12 ILE 16 7.359 5.119 7.409 119 3HD1 ILE 16 HD13 ILE 16 8.247 6.382 6.560 120 H LEU 17 HN LEU 17 9.515 6.331 1.630 121 HA LEU 17 HA LEU 17 12.423 6.433 1.397 122 1HB LEU 17 HB2 LEU 17 10.309 5.911 -0.692 123 2HB LEU 17 HB1 LEU 17 12.038 5.893 -0.976 124 HG LEU 17 HG LEU 17 10.524 3.968 0.797 125 1HD1 LEU 17 HD11 LEU 17 10.078 3.617 -1.567 126 2HD1 LEU 17 HD12 LEU 17 11.059 2.312 -0.906 127 3HD1 LEU 17 HD13 LEU 17 11.812 3.565 -1.896 128 1HD2 LEU 17 HD21 LEU 17 12.789 4.380 1.612 129 2HD2 LEU 17 HD22 LEU 17 13.434 4.037 0.009 130 3HD2 LEU 17 HD23 LEU 17 12.648 2.757 0.935 131 H GLY 18 HN GLY 18 9.933 8.513 1.643 132 1HA GLY 18 HA2 GLY 18 9.891 10.799 1.418 133 2HA GLY 18 HA1 GLY 18 11.451 10.717 0.611 134 H ILE 19 HN ILE 19 8.888 8.744 -0.582 135 HA ILE 19 HA ILE 19 8.721 10.556 -2.848 136 HB ILE 19 HB ILE 19 8.149 8.395 -4.108 137 1HG1 ILE 19 HG12 ILE 19 9.958 7.296 -1.959 138 2HG1 ILE 19 HG11 ILE 19 8.270 6.880 -2.211 139 1HG2 ILE 19 HG21 ILE 19 10.983 9.208 -3.383 140 2HG2 ILE 19 HG22 ILE 19 9.994 9.892 -4.674 141 3HG2 ILE 19 HG23 ILE 19 10.560 8.224 -4.784 142 1HD1 ILE 19 HD11 ILE 19 9.752 5.154 -3.059 143 2HD1 ILE 19 HD12 ILE 19 10.533 6.326 -4.121 144 3HD1 ILE 19 HD13 ILE 19 8.839 5.896 -4.373 145 H ARG 20 HN ARG 20 6.995 10.616 -4.048 146 HA ARG 20 HA ARG 20 4.611 9.096 -3.665 147 1HB ARG 20 HB2 ARG 20 4.358 10.774 -1.846 148 2HB ARG 20 HB1 ARG 20 4.508 12.052 -3.048 149 1HG ARG 20 HG2 ARG 20 2.511 10.432 -4.056 150 2HG ARG 20 HG1 ARG 20 2.199 10.465 -2.315 151 1HD ARG 20 HD2 ARG 20 1.013 12.298 -3.299 152 2HD ARG 20 HD1 ARG 20 2.387 12.965 -2.416 153 HE ARG 20 HE ARG 20 2.162 12.692 -5.329 154 1HH1 ARG 20 HH11 ARG 20 3.818 14.131 -2.530 155 2HH1 ARG 20 HH12 ARG 20 4.661 15.275 -3.496 156 1HH2 ARG 20 HH21 ARG 20 3.342 14.287 -6.570 157 2HH2 ARG 20 HH22 ARG 20 4.387 15.391 -5.778 158 H ASP 21 HN ASP 21 6.440 11.718 -5.141 159 HA ASP 21 HA ASP 21 4.585 12.185 -7.224 160 1HB ASP 21 HB2 ASP 21 6.261 13.505 -8.379 161 2HB ASP 21 HB1 ASP 21 6.401 13.854 -6.665 162 H LEU 22 HN LEU 22 7.533 10.261 -7.253 163 HA LEU 22 HA LEU 22 8.149 8.457 -8.442 164 1HB LEU 22 HB2 LEU 22 5.176 8.244 -8.694 165 2HB LEU 22 HB1 LEU 22 6.207 7.145 -9.582 166 HG LEU 22 HG LEU 22 5.369 6.163 -7.560 167 1HD1 LEU 22 HD11 LEU 22 7.528 5.401 -6.605 168 2HD1 LEU 22 HD12 LEU 22 8.335 6.716 -7.462 169 3HD1 LEU 22 HD13 LEU 22 7.538 5.435 -8.368 170 1HD2 LEU 22 HD21 LEU 22 6.120 6.899 -5.338 171 2HD2 LEU 22 HD22 LEU 22 5.126 8.114 -6.146 172 3HD2 LEU 22 HD23 LEU 22 6.876 8.308 -6.081 173 H ALA 23 HN ALA 23 7.898 11.140 -9.725 174 HA ALA 23 HA ALA 23 7.051 10.780 -12.401 175 1HB ALA 23 HB1 ALA 23 8.867 12.896 -11.268 176 2HB ALA 23 HB2 ALA 23 7.105 12.979 -11.317 177 3HB ALA 23 HB3 ALA 23 8.032 12.965 -12.818 178 H GLY 24 HN GLY 24 9.973 10.422 -10.809 179 1HA GLY 24 HA2 GLY 24 11.127 9.130 -13.182 180 2HA GLY 24 HA1 GLY 24 12.061 10.420 -12.420 181 H ILE 25 HN ILE 25 10.063 8.114 -10.757 182 HA ILE 25 HA ILE 25 12.475 6.942 -9.585 183 HB ILE 25 HB ILE 25 9.752 7.327 -8.222 184 1HG1 ILE 25 HG12 ILE 25 11.157 8.589 -6.481 185 2HG1 ILE 25 HG11 ILE 25 12.435 8.611 -7.682 186 1HG2 ILE 25 HG21 ILE 25 12.204 5.991 -7.091 187 2HG2 ILE 25 HG22 ILE 25 10.699 5.202 -7.551 188 3HG2 ILE 25 HG23 ILE 25 10.718 6.342 -6.203 189 1HD1 ILE 25 HD11 ILE 25 11.213 10.711 -7.619 190 2HD1 ILE 25 HD12 ILE 25 9.712 9.856 -7.971 191 3HD1 ILE 25 HD13 ILE 25 11.004 9.904 -9.173 192 H ASN 26 HN ASN 26 12.373 4.648 -9.241 193 HA ASN 26 HA ASN 26 11.373 3.253 -11.411 194 1HB ASN 26 HB2 ASN 26 12.279 2.174 -8.743 195 2HB ASN 26 HB1 ASN 26 11.887 1.159 -10.118 196 1HD2 ASN 26 HD21 ASN 26 13.886 0.331 -10.383 197 2HD2 ASN 26 HD22 ASN 26 15.261 1.237 -10.896 198 H LEU 27 HN LEU 27 9.512 2.680 -11.983 199 HA LEU 27 HA LEU 27 7.368 2.205 -10.025 200 1HB LEU 27 HB2 LEU 27 7.304 2.945 -12.942 201 2HB LEU 27 HB1 LEU 27 5.878 2.530 -12.009 202 HG LEU 27 HG LEU 27 7.696 4.843 -11.341 203 1HD1 LEU 27 HD11 LEU 27 6.626 5.162 -13.524 204 2HD1 LEU 27 HD12 LEU 27 5.966 6.252 -12.304 205 3HD1 LEU 27 HD13 LEU 27 5.057 4.822 -12.793 206 1HD2 LEU 27 HD21 LEU 27 6.425 3.938 -9.480 207 2HD2 LEU 27 HD22 LEU 27 4.937 4.068 -10.419 208 3HD2 LEU 27 HD23 LEU 27 5.817 5.525 -9.952 209 H ASP 28 HN ASP 28 9.176 0.853 -12.663 210 HA ASP 28 HA ASP 28 7.454 -1.446 -13.033 211 1HB ASP 28 HB2 ASP 28 8.705 -0.463 -14.911 212 2HB ASP 28 HB1 ASP 28 10.219 -0.839 -14.103 213 H SER 29 HN SER 29 10.201 -0.618 -11.176 214 HA SER 29 HA SER 29 11.246 -3.217 -10.757 215 1HB SER 29 HB2 SER 29 11.664 -0.677 -9.215 216 2HB SER 29 HB1 SER 29 12.662 -2.123 -9.130 217 HG SER 29 HG SER 29 13.318 -1.870 -11.154 218 H SER 30 HN SER 30 11.053 -4.569 -9.079 219 HA SER 30 HA SER 30 8.743 -4.676 -7.487 220 1HB SER 30 HB2 SER 30 11.427 -6.000 -7.150 221 2HB SER 30 HB1 SER 30 9.916 -6.574 -6.462 222 HG SER 30 HG SER 30 9.216 -6.576 -8.818 223 H LEU 31 HN LEU 31 8.615 -4.410 -5.154 224 HA LEU 31 HA LEU 31 9.588 -2.141 -4.010 225 1HB LEU 31 HB2 LEU 31 7.728 -3.539 -3.159 226 2HB LEU 31 HB1 LEU 31 8.893 -4.721 -2.596 227 HG LEU 31 HG LEU 31 9.830 -2.949 -1.093 228 1HD1 LEU 31 HD11 LEU 31 9.009 -1.050 -2.305 229 2HD1 LEU 31 HD12 LEU 31 8.408 -1.039 -0.629 230 3HD1 LEU 31 HD13 LEU 31 7.348 -1.553 -1.962 231 1HD2 LEU 31 HD21 LEU 31 8.047 -3.135 0.552 232 2HD2 LEU 31 HD22 LEU 31 8.305 -4.672 -0.275 233 3HD2 LEU 31 HD23 LEU 31 6.931 -3.660 -0.708 234 H ALA 32 HN ALA 32 10.910 -5.347 -3.900 235 HA ALA 32 HA ALA 32 12.954 -4.839 -2.015 236 1HB ALA 32 HB1 ALA 32 12.263 -7.095 -2.547 237 2HB ALA 32 HB2 ALA 32 14.000 -6.896 -2.789 238 3HB ALA 32 HB3 ALA 32 12.911 -6.922 -4.175 239 H ASP 33 HN ASP 33 12.781 -4.640 -5.508 240 HA ASP 33 HA ASP 33 15.534 -4.374 -6.043 241 1HB ASP 33 HB2 ASP 33 13.825 -5.052 -7.734 242 2HB ASP 33 HB1 ASP 33 13.220 -3.407 -7.720 243 H LEU 34 HN LEU 34 12.922 -2.164 -5.437 244 HA LEU 34 HA LEU 34 14.037 0.327 -6.022 245 1HB LEU 34 HB2 LEU 34 12.292 -0.238 -3.626 246 2HB LEU 34 HB1 LEU 34 12.415 1.260 -4.527 247 HG LEU 34 HG LEU 34 11.180 -1.307 -5.498 248 1HD1 LEU 34 HD11 LEU 34 9.118 -0.075 -5.483 249 2HD1 LEU 34 HD12 LEU 34 9.934 1.299 -4.722 250 3HD1 LEU 34 HD13 LEU 34 9.807 -0.254 -3.866 251 1HD2 LEU 34 HD21 LEU 34 12.197 -0.114 -7.321 252 2HD2 LEU 34 HD22 LEU 34 11.331 1.368 -6.857 253 3HD2 LEU 34 HD23 LEU 34 10.436 -0.066 -7.389 254 H GLY 35 HN GLY 35 14.227 -1.672 -3.168 255 1HA GLY 35 HA2 GLY 35 16.572 -1.669 -2.238 256 2HA GLY 35 HA1 GLY 35 16.352 0.072 -2.136 257 H LEU 36 HN LEU 36 14.039 -2.519 -1.347 258 HA LEU 36 HA LEU 36 13.551 -1.274 1.171 259 1HB LEU 36 HB2 LEU 36 11.679 -2.585 1.263 260 2HB LEU 36 HB1 LEU 36 12.015 -2.906 -0.409 261 HG LEU 36 HG LEU 36 13.299 -4.999 0.552 262 1HD1 LEU 36 HD11 LEU 36 11.408 -4.389 2.818 263 2HD1 LEU 36 HD12 LEU 36 13.169 -4.385 2.900 264 3HD1 LEU 36 HD13 LEU 36 12.304 -5.893 2.599 265 1HD2 LEU 36 HD21 LEU 36 10.298 -4.817 0.558 266 2HD2 LEU 36 HD22 LEU 36 11.240 -6.305 0.453 267 3HD2 LEU 36 HD23 LEU 36 11.315 -5.118 -0.852 268 H ASP 37 HN ASP 37 14.617 -1.587 2.949 269 HA ASP 37 HA ASP 37 16.807 -3.500 2.915 270 1HB ASP 37 HB2 ASP 37 17.168 -1.138 3.597 271 2HB ASP 37 HB1 ASP 37 16.168 -1.437 5.018 272 H SER 38 HN SER 38 14.607 -2.582 5.583 273 HA SER 38 HA SER 38 13.893 -5.374 5.906 274 1HB SER 38 HB2 SER 38 15.973 -5.098 7.267 275 2HB SER 38 HB1 SER 38 15.171 -3.833 8.195 276 HG SER 38 HG SER 38 14.335 -6.535 7.974 277 H LEU 39 HN LEU 39 13.655 -2.338 7.831 278 HA LEU 39 HA LEU 39 11.048 -2.618 8.741 279 1HB LEU 39 HB2 LEU 39 12.529 -0.855 9.539 280 2HB LEU 39 HB1 LEU 39 12.491 -0.078 7.969 281 HG LEU 39 HG LEU 39 10.007 0.211 8.303 282 1HD1 LEU 39 HD11 LEU 39 9.155 0.197 10.582 283 2HD1 LEU 39 HD12 LEU 39 10.672 -0.511 11.134 284 3HD1 LEU 39 HD13 LEU 39 9.632 -1.406 10.025 285 1HD2 LEU 39 HD21 LEU 39 10.267 2.195 9.719 286 2HD2 LEU 39 HD22 LEU 39 11.540 2.054 8.504 287 3HD2 LEU 39 HD23 LEU 39 11.877 1.636 10.187 288 H MET 40 HN MET 40 12.215 -1.609 5.675 289 HA MET 40 HA MET 40 9.835 -0.415 4.616 290 1HB MET 40 HB2 MET 40 12.162 -1.657 3.147 291 2HB MET 40 HB1 MET 40 10.968 -0.541 2.495 292 1HG MET 40 HG2 MET 40 11.767 1.247 3.816 293 2HG MET 40 HG1 MET 40 12.789 0.171 4.766 294 1HE MET 40 HE1 MET 40 14.893 1.755 4.403 295 2HE MET 40 HE2 MET 40 13.868 2.859 3.484 296 3HE MET 40 HE3 MET 40 15.410 2.324 2.814 297 H GLY 41 HN GLY 41 10.491 -3.637 5.317 298 1HA GLY 41 HA2 GLY 41 8.349 -4.474 3.476 299 2HA GLY 41 HA1 GLY 41 9.551 -5.559 4.176 300 H VAL 42 HN VAL 42 9.431 -4.335 6.785 301 HA VAL 42 HA VAL 42 7.286 -5.890 7.853 302 HB VAL 42 HB VAL 42 9.147 -3.994 9.309 303 1HG1 VAL 42 HG11 VAL 42 7.430 -6.235 10.362 304 2HG1 VAL 42 HG12 VAL 42 7.178 -4.509 10.606 305 3HG1 VAL 42 HG13 VAL 42 8.595 -5.303 11.307 306 1HG2 VAL 42 HG21 VAL 42 9.415 -6.968 8.865 307 2HG2 VAL 42 HG22 VAL 42 10.472 -5.976 9.874 308 3HG2 VAL 42 HG23 VAL 42 10.414 -5.712 8.131 309 H GLU 43 HN GLU 43 7.961 -2.425 7.589 310 HA GLU 43 HA GLU 43 5.911 -1.423 9.191 311 1HB GLU 43 HB2 GLU 43 7.762 -0.054 8.261 312 2HB GLU 43 HB1 GLU 43 7.046 -0.198 6.664 313 1HG GLU 43 HG2 GLU 43 6.378 1.929 7.433 314 2HG GLU 43 HG1 GLU 43 4.996 0.862 7.640 315 H VAL 44 HN VAL 44 5.955 -2.433 5.874 316 HA VAL 44 HA VAL 44 3.463 -1.529 4.883 317 HB VAL 44 HB VAL 44 4.515 -4.226 4.208 318 1HG1 VAL 44 HG11 VAL 44 3.934 -3.594 1.964 319 2HG1 VAL 44 HG12 VAL 44 3.432 -2.003 2.552 320 3HG1 VAL 44 HG13 VAL 44 2.565 -3.467 3.079 321 1HG2 VAL 44 HG21 VAL 44 6.183 -3.253 2.682 322 2HG2 VAL 44 HG22 VAL 44 6.520 -3.032 4.389 323 3HG2 VAL 44 HG23 VAL 44 5.907 -1.668 3.437 324 H ARG 45 HN ARG 45 4.378 -4.668 6.162 325 HA ARG 45 HA ARG 45 1.806 -5.733 6.220 326 1HB ARG 45 HB2 ARG 45 3.829 -7.078 6.285 327 2HB ARG 45 HB1 ARG 45 4.224 -6.434 7.870 328 1HG ARG 45 HG2 ARG 45 2.180 -7.461 8.762 329 2HG ARG 45 HG1 ARG 45 1.872 -8.167 7.170 330 1HD ARG 45 HD2 ARG 45 2.988 -9.728 8.711 331 2HD ARG 45 HD1 ARG 45 3.934 -9.377 7.258 332 HE ARG 45 HE ARG 45 5.466 -8.214 8.506 333 1HH1 ARG 45 HH11 ARG 45 2.715 -9.097 10.630 334 2HH1 ARG 45 HH12 ARG 45 3.603 -8.990 12.054 335 1HH2 ARG 45 HH21 ARG 45 6.674 -8.097 10.473 336 2HH2 ARG 45 HH22 ARG 45 5.951 -8.431 11.990 337 H GLN 46 HN GLN 46 3.705 -4.040 8.687 338 HA GLN 46 HA GLN 46 1.946 -4.283 10.840 339 1HB GLN 46 HB2 GLN 46 3.998 -2.204 10.173 340 2HB GLN 46 HB1 GLN 46 3.005 -2.078 11.619 341 1HG GLN 46 HG2 GLN 46 4.649 -4.461 10.938 342 2HG GLN 46 HG1 GLN 46 5.260 -3.133 11.942 343 1HE2 GLN 46 HE21 GLN 46 4.394 -2.890 13.998 344 2HE2 GLN 46 HE22 GLN 46 3.489 -4.132 14.782 345 H ILE 47 HN ILE 47 1.656 -2.288 8.059 346 HA ILE 47 HA ILE 47 -0.333 -0.569 9.272 347 HB ILE 47 HB ILE 47 0.366 -0.957 6.336 348 1HG1 ILE 47 HG12 ILE 47 1.148 1.285 8.196 349 2HG1 ILE 47 HG11 ILE 47 2.200 -0.071 7.821 350 1HG2 ILE 47 HG21 ILE 47 -1.891 -0.062 6.648 351 2HG2 ILE 47 HG22 ILE 47 -0.824 1.174 5.984 352 3HG2 ILE 47 HG23 ILE 47 -1.256 1.203 7.697 353 1HD1 ILE 47 HD11 ILE 47 2.811 1.858 6.515 354 2HD1 ILE 47 HD12 ILE 47 1.164 2.000 5.894 355 3HD1 ILE 47 HD13 ILE 47 2.161 0.610 5.452 356 H LEU 48 HN LEU 48 -0.336 -3.011 6.726 357 HA LEU 48 HA LEU 48 -3.142 -3.068 6.431 358 1HB LEU 48 HB2 LEU 48 -1.017 -4.991 5.512 359 2HB LEU 48 HB1 LEU 48 -2.709 -5.224 5.151 360 HG LEU 48 HG LEU 48 -1.666 -4.308 3.236 361 1HD1 LEU 48 HD11 LEU 48 -2.890 -2.230 2.882 362 2HD1 LEU 48 HD12 LEU 48 -3.190 -2.127 4.614 363 3HD1 LEU 48 HD13 LEU 48 -3.881 -3.456 3.680 364 1HD2 LEU 48 HD21 LEU 48 -0.644 -2.070 4.961 365 2HD2 LEU 48 HD22 LEU 48 -0.494 -2.168 3.205 366 3HD2 LEU 48 HD23 LEU 48 0.320 -3.352 4.230 367 H GLU 49 HN GLU 49 -0.966 -5.233 8.178 368 HA GLU 49 HA GLU 49 -2.863 -7.171 8.931 369 1HB GLU 49 HB2 GLU 49 -0.427 -7.504 8.952 370 2HB GLU 49 HB1 GLU 49 -0.272 -6.334 10.246 371 1HG GLU 49 HG2 GLU 49 -1.597 -7.841 11.691 372 2HG GLU 49 HG1 GLU 49 -1.609 -9.021 10.383 373 H ARG 50 HN ARG 50 -1.892 -4.141 10.271 374 HA ARG 50 HA ARG 50 -3.096 -4.576 12.849 375 1HB ARG 50 HB2 ARG 50 -1.041 -3.260 12.385 376 2HB ARG 50 HB1 ARG 50 -2.047 -2.079 11.580 377 1HG ARG 50 HG2 ARG 50 -3.208 -1.672 13.703 378 2HG ARG 50 HG1 ARG 50 -2.098 -2.810 14.484 379 1HD ARG 50 HD2 ARG 50 -1.188 -0.629 14.825 380 2HD ARG 50 HD1 ARG 50 -0.212 -1.439 13.594 381 HE ARG 50 HE ARG 50 -2.361 0.399 12.793 382 1HH1 ARG 50 HH11 ARG 50 1.018 -0.558 12.687 383 2HH1 ARG 50 HH12 ARG 50 1.542 0.720 11.687 384 1HH2 ARG 50 HH21 ARG 50 -1.662 2.255 11.460 385 2HH2 ARG 50 HH22 ARG 50 -0.029 2.357 10.983 386 H GLU 51 HN GLU 51 -3.621 -2.269 10.200 387 HA GLU 51 HA GLU 51 -5.883 -1.077 11.380 388 1HB GLU 51 HB2 GLU 51 -4.937 -0.932 8.525 389 2HB GLU 51 HB1 GLU 51 -6.085 0.151 9.292 390 1HG GLU 51 HG2 GLU 51 -3.195 -0.184 10.061 391 2HG GLU 51 HG1 GLU 51 -3.875 1.143 9.126 392 H HIS 52 HN HIS 52 -5.623 -3.457 8.733 393 HA HIS 52 HA HIS 52 -8.570 -3.700 8.874 394 1HB HIS 52 HB2 HIS 52 -6.807 -3.692 6.449 395 2HB HIS 52 HB1 HIS 52 -8.362 -4.502 6.412 396 HD1 HIS 52 HD1 HIS 52 -9.049 -2.753 4.548 397 HD2 HIS 52 HD2 HIS 52 -8.303 -1.133 8.303 398 HE1 HIS 52 HE1 HIS 52 -9.951 -0.419 4.483 399 HE2 HIS 52 HE2 HIS 52 -9.328 0.584 6.689 400 H ASP 53 HN ASP 53 -5.919 -5.251 9.700 401 HA ASP 53 HA ASP 53 -5.275 -7.334 10.102 402 1HB ASP 53 HB2 ASP 53 -7.417 -7.488 11.316 403 2HB ASP 53 HB1 ASP 53 -8.230 -7.991 9.843 404 H LEU 54 HN LEU 54 -4.605 -6.650 7.744 405 HA LEU 54 HA LEU 54 -5.022 -9.044 6.084 406 1HB LEU 54 HB2 LEU 54 -4.431 -6.203 5.313 407 2HB LEU 54 HB1 LEU 54 -3.860 -7.495 4.286 408 HG LEU 54 HG LEU 54 -6.229 -8.201 3.952 409 1HD1 LEU 54 HD11 LEU 54 -7.199 -7.325 5.990 410 2HD1 LEU 54 HD12 LEU 54 -8.025 -6.696 4.563 411 3HD1 LEU 54 HD13 LEU 54 -6.883 -5.679 5.443 412 1HD2 LEU 54 HD21 LEU 54 -6.820 -6.342 2.477 413 2HD2 LEU 54 HD22 LEU 54 -5.118 -6.775 2.339 414 3HD2 LEU 54 HD23 LEU 54 -5.591 -5.342 3.247 415 H VAL 55 HN VAL 55 -3.474 -10.328 6.945 416 HA VAL 55 HA VAL 55 -0.804 -9.342 7.374 417 HB VAL 55 HB VAL 55 -1.689 -12.240 7.245 418 1HG1 VAL 55 HG11 VAL 55 0.708 -11.930 7.096 419 2HG1 VAL 55 HG12 VAL 55 0.282 -12.655 8.646 420 3HG1 VAL 55 HG13 VAL 55 0.693 -10.941 8.556 421 1HG2 VAL 55 HG21 VAL 55 -1.890 -12.186 9.682 422 2HG2 VAL 55 HG22 VAL 55 -3.028 -11.069 8.926 423 3HG2 VAL 55 HG23 VAL 55 -1.553 -10.457 9.676 424 H LEU 56 HN LEU 56 -0.239 -8.510 5.416 425 HA LEU 56 HA LEU 56 -0.047 -10.342 3.171 426 1HB LEU 56 HB2 LEU 56 0.841 -7.442 3.317 427 2HB LEU 56 HB1 LEU 56 0.760 -8.432 1.892 428 HG LEU 56 HG LEU 56 -1.635 -7.531 3.492 429 1HD1 LEU 56 HD11 LEU 56 -0.581 -5.701 2.297 430 2HD1 LEU 56 HD12 LEU 56 -2.114 -6.134 1.542 431 3HD1 LEU 56 HD13 LEU 56 -0.591 -6.644 0.810 432 1HD2 LEU 56 HD21 LEU 56 -1.465 -9.041 0.881 433 2HD2 LEU 56 HD22 LEU 56 -2.942 -8.457 1.643 434 3HD2 LEU 56 HD23 LEU 56 -1.980 -9.709 2.429 435 HA PRO 57 HA PRO 57 3.960 -11.402 4.833 436 1HB PRO 57 HB2 PRO 57 3.937 -13.178 2.482 437 2HB PRO 57 HB1 PRO 57 4.136 -13.579 4.192 438 1HG PRO 57 HG2 PRO 57 1.864 -14.195 2.961 439 2HG PRO 57 HG1 PRO 57 1.817 -13.484 4.592 440 1HD PRO 57 HD2 PRO 57 1.470 -12.105 1.951 441 2HD PRO 57 HD1 PRO 57 0.427 -12.045 3.393 442 H ILE 58 HN ILE 58 6.120 -11.268 4.110 443 HA ILE 58 HA ILE 58 6.514 -9.139 2.302 444 HB ILE 58 HB ILE 58 8.567 -10.950 3.628 445 1HG1 ILE 58 HG12 ILE 58 9.132 -8.756 4.849 446 2HG1 ILE 58 HG11 ILE 58 7.638 -8.145 4.147 447 1HG2 ILE 58 HG21 ILE 58 10.311 -9.370 2.908 448 2HG2 ILE 58 HG22 ILE 58 9.120 -8.506 1.933 449 3HG2 ILE 58 HG23 ILE 58 9.519 -10.182 1.557 450 1HD1 ILE 58 HD11 ILE 58 7.851 -10.477 6.036 451 2HD1 ILE 58 HD12 ILE 58 6.362 -9.810 5.364 452 3HD1 ILE 58 HD13 ILE 58 7.340 -8.843 6.465 453 H ARG 59 HN ARG 59 6.715 -12.569 1.984 454 HA ARG 59 HA ARG 59 7.945 -12.483 -0.535 455 1HB ARG 59 HB2 ARG 59 7.221 -14.832 -0.960 456 2HB ARG 59 HB1 ARG 59 8.082 -14.601 0.542 457 1HG ARG 59 HG2 ARG 59 5.083 -14.818 0.380 458 2HG ARG 59 HG1 ARG 59 6.139 -16.215 0.555 459 1HD ARG 59 HD2 ARG 59 5.822 -13.906 2.474 460 2HD ARG 59 HD1 ARG 59 5.313 -15.577 2.726 461 HE ARG 59 HE ARG 59 8.149 -14.806 2.439 462 1HH1 ARG 59 HH11 ARG 59 5.677 -16.700 4.140 463 2HH1 ARG 59 HH12 ARG 59 6.739 -17.205 5.363 464 1HH2 ARG 59 HH21 ARG 59 9.559 -15.487 4.082 465 2HH2 ARG 59 HH22 ARG 59 9.016 -16.507 5.337 466 H GLU 60 HN GLU 60 4.919 -11.409 0.178 467 HA GLU 60 HA GLU 60 4.170 -11.502 -2.667 468 1HB GLU 60 HB2 GLU 60 2.607 -10.804 -0.189 469 2HB GLU 60 HB1 GLU 60 1.984 -10.462 -1.783 470 1HG GLU 60 HG2 GLU 60 2.165 -12.914 -2.264 471 2HG GLU 60 HG1 GLU 60 2.593 -13.139 -0.566 472 H VAL 61 HN VAL 61 4.497 -9.373 0.102 473 HA VAL 61 HA VAL 61 4.058 -6.942 -1.142 474 HB VAL 61 HB VAL 61 5.736 -7.547 1.315 475 1HG1 VAL 61 HG11 VAL 61 6.274 -5.336 0.465 476 2HG1 VAL 61 HG12 VAL 61 5.351 -5.234 1.968 477 3HG1 VAL 61 HG13 VAL 61 4.559 -4.922 0.422 478 1HG2 VAL 61 HG21 VAL 61 3.724 -6.904 2.553 479 2HG2 VAL 61 HG22 VAL 61 3.450 -8.306 1.517 480 3HG2 VAL 61 HG23 VAL 61 2.856 -6.719 1.029 481 H ARG 62 HN ARG 62 6.958 -8.824 -0.957 482 HA ARG 62 HA ARG 62 8.840 -6.887 -1.609 483 1HB ARG 62 HB2 ARG 62 9.416 -9.032 -0.667 484 2HB ARG 62 HB1 ARG 62 8.849 -9.850 -2.113 485 1HG ARG 62 HG2 ARG 62 10.611 -8.919 -3.397 486 2HG ARG 62 HG1 ARG 62 11.107 -7.905 -2.035 487 1HD ARG 62 HD2 ARG 62 11.715 -9.884 -0.759 488 2HD ARG 62 HD1 ARG 62 11.083 -10.934 -2.028 489 HE ARG 62 HE ARG 62 12.977 -9.412 -3.267 490 1HH1 ARG 62 HH11 ARG 62 13.110 -11.531 -0.384 491 2HH1 ARG 62 HH12 ARG 62 14.654 -12.101 -0.775 492 1HH2 ARG 62 HH21 ARG 62 15.086 -10.136 -3.682 493 2HH2 ARG 62 HH22 ARG 62 15.850 -11.262 -2.659 494 H GLN 63 HN GLN 63 6.532 -8.479 -3.691 495 HA GLN 63 HA GLN 63 8.042 -7.578 -6.024 496 1HB GLN 63 HB2 GLN 63 5.700 -9.499 -5.938 497 2HB GLN 63 HB1 GLN 63 6.481 -8.949 -7.410 498 1HG GLN 63 HG2 GLN 63 7.378 -11.060 -7.021 499 2HG GLN 63 HG1 GLN 63 8.614 -9.950 -6.438 500 1HE2 GLN 63 HE21 GLN 63 5.652 -10.699 -4.765 501 2HE2 GLN 63 HE22 GLN 63 6.359 -11.547 -3.454 502 H LEU 64 HN LEU 64 5.886 -6.362 -4.010 503 HA LEU 64 HA LEU 64 4.015 -5.248 -5.867 504 1HB LEU 64 HB2 LEU 64 4.804 -4.155 -3.160 505 2HB LEU 64 HB1 LEU 64 3.394 -3.700 -4.087 506 HG LEU 64 HG LEU 64 3.916 -6.286 -2.673 507 1HD1 LEU 64 HD11 LEU 64 1.850 -4.141 -2.260 508 2HD1 LEU 64 HD12 LEU 64 3.233 -4.490 -1.221 509 3HD1 LEU 64 HD13 LEU 64 1.925 -5.663 -1.373 510 1HD2 LEU 64 HD21 LEU 64 1.671 -6.996 -3.412 511 2HD2 LEU 64 HD22 LEU 64 2.778 -6.786 -4.766 512 3HD2 LEU 64 HD23 LEU 64 1.563 -5.553 -4.421 513 H THR 65 HN THR 65 4.368 -3.562 -7.175 514 HA THR 65 HA THR 65 6.886 -2.229 -7.050 515 HB THR 65 HB THR 65 5.858 -1.085 -9.079 516 HG1 THR 65 HG1 THR 65 3.944 -2.294 -9.844 517 1HG2 THR 65 HG21 THR 65 5.918 -4.094 -9.032 518 2HG2 THR 65 HG22 THR 65 7.330 -3.058 -9.169 519 3HG2 THR 65 HG23 THR 65 6.120 -3.076 -10.470 520 H LEU 66 HN LEU 66 6.939 0.093 -6.959 521 HA LEU 66 HA LEU 66 5.876 0.972 -4.578 522 1HB LEU 66 HB2 LEU 66 7.881 1.826 -5.941 523 2HB LEU 66 HB1 LEU 66 6.733 2.835 -6.785 524 HG LEU 66 HG LEU 66 7.975 4.050 -5.044 525 1HD1 LEU 66 HD11 LEU 66 5.785 4.853 -5.625 526 2HD1 LEU 66 HD12 LEU 66 6.087 5.090 -3.896 527 3HD1 LEU 66 HD13 LEU 66 5.057 3.763 -4.446 528 1HD2 LEU 66 HD21 LEU 66 6.604 2.178 -3.121 529 2HD2 LEU 66 HD22 LEU 66 7.550 3.599 -2.677 530 3HD2 LEU 66 HD23 LEU 66 8.331 2.233 -3.476 531 H ARG 67 HN ARG 67 4.597 1.551 -7.844 532 HA ARG 67 HA ARG 67 2.542 3.244 -6.742 533 1HB ARG 67 HB2 ARG 67 3.805 3.169 -9.160 534 2HB ARG 67 HB1 ARG 67 2.270 2.405 -9.538 535 1HG ARG 67 HG2 ARG 67 2.322 4.863 -9.938 536 2HG ARG 67 HG1 ARG 67 1.044 4.334 -8.844 537 1HD ARG 67 HD2 ARG 67 2.149 5.174 -6.955 538 2HD ARG 67 HD1 ARG 67 3.698 5.253 -7.773 539 HE ARG 67 HE ARG 67 2.640 7.090 -9.152 540 1HH1 ARG 67 HH11 ARG 67 1.356 6.602 -5.872 541 2HH1 ARG 67 HH12 ARG 67 1.055 8.270 -5.662 542 1HH2 ARG 67 HH21 ARG 67 2.249 9.270 -8.805 543 2HH2 ARG 67 HH22 ARG 67 1.610 9.841 -7.334 544 H LYS 68 HN LYS 68 2.941 -0.044 -6.935 545 HA LYS 68 HA LYS 68 0.149 -0.702 -7.398 546 1HB LYS 68 HB2 LYS 68 2.062 -2.221 -8.115 547 2HB LYS 68 HB1 LYS 68 2.374 -2.517 -6.413 548 1HG LYS 68 HG2 LYS 68 0.051 -3.409 -6.217 549 2HG LYS 68 HG1 LYS 68 -0.101 -3.256 -7.964 550 1HD LYS 68 HD2 LYS 68 1.890 -4.975 -6.474 551 2HD LYS 68 HD1 LYS 68 0.468 -5.541 -7.344 552 1HE LYS 68 HE2 LYS 68 1.474 -4.616 -9.438 553 2HE LYS 68 HE1 LYS 68 2.926 -4.234 -8.514 554 1HZ LYS 68 HZ1 LYS 68 3.238 -6.345 -9.610 555 2HZ LYS 68 HZ2 LYS 68 1.759 -6.893 -9.032 556 3HZ LYS 68 HZ3 LYS 68 3.022 -6.711 -7.959 557 H LEU 69 HN LEU 69 2.255 0.172 -4.875 558 HA LEU 69 HA LEU 69 1.076 -1.020 -2.642 559 1HB LEU 69 HB2 LEU 69 2.606 1.504 -2.993 560 2HB LEU 69 HB1 LEU 69 1.707 1.309 -1.504 561 HG LEU 69 HG LEU 69 3.948 0.660 -1.102 562 1HD1 LEU 69 HD11 LEU 69 2.260 -0.645 -0.006 563 2HD1 LEU 69 HD12 LEU 69 3.666 -1.656 -0.364 564 3HD1 LEU 69 HD13 LEU 69 2.205 -1.765 -1.358 565 1HD2 LEU 69 HD21 LEU 69 4.639 0.214 -3.396 566 2HD2 LEU 69 HD22 LEU 69 3.674 -1.259 -3.407 567 3HD2 LEU 69 HD23 LEU 69 5.077 -1.129 -2.334 568 H GLN 70 HN GLN 70 0.073 1.831 -4.358 569 HA GLN 70 HA GLN 70 -2.002 2.359 -2.481 570 1HB GLN 70 HB2 GLN 70 -2.779 4.043 -4.212 571 2HB GLN 70 HB1 GLN 70 -1.202 4.297 -3.480 572 1HG GLN 70 HG2 GLN 70 -0.121 3.408 -5.423 573 2HG GLN 70 HG1 GLN 70 -1.687 3.113 -6.224 574 1HE2 GLN 70 HE21 GLN 70 -1.211 4.555 -7.952 575 2HE2 GLN 70 HE22 GLN 70 -1.166 6.247 -7.670 576 H GLU 71 HN GLU 71 -1.716 0.247 -5.067 577 HA GLU 71 HA GLU 71 -4.563 0.044 -5.575 578 1HB GLU 71 HB2 GLU 71 -2.910 -0.393 -7.363 579 2HB GLU 71 HB1 GLU 71 -2.262 -1.730 -6.422 580 1HG GLU 71 HG2 GLU 71 -4.515 -2.796 -6.554 581 2HG GLU 71 HG1 GLU 71 -4.986 -1.519 -7.671 582 H MET 72 HN MET 72 -2.008 -1.641 -3.859 583 HA MET 72 HA MET 72 -3.767 -3.739 -2.860 584 1HB MET 72 HB2 MET 72 -0.880 -3.081 -2.234 585 2HB MET 72 HB1 MET 72 -1.744 -4.445 -1.556 586 1HG MET 72 HG2 MET 72 -1.183 -4.008 -4.481 587 2HG MET 72 HG1 MET 72 -0.265 -5.062 -3.410 588 1HE MET 72 HE1 MET 72 -2.067 -7.716 -5.601 589 2HE MET 72 HE2 MET 72 -0.533 -7.169 -4.920 590 3HE MET 72 HE3 MET 72 -1.364 -6.183 -6.121 591 H SER 73 HN SER 73 -3.324 -0.638 -2.129 592 HA SER 73 HA SER 73 -2.830 -0.345 0.513 593 1HB SER 73 HB2 SER 73 -2.827 1.499 -0.929 594 2HB SER 73 HB1 SER 73 -4.508 1.285 -1.363 595 HG SER 73 HG SER 73 -3.951 1.727 1.347 596 H SER 74 HN SER 74 -5.995 -0.982 -1.013 597 HA SER 74 HA SER 74 -7.892 -1.856 -0.296 598 1HB SER 74 HB2 SER 74 -6.399 -2.669 2.205 599 2HB SER 74 HB1 SER 74 -7.890 -3.385 1.578 600 HG SER 74 HG SER 74 -5.322 -3.387 0.405 601 H LYS 75 HN LYS 75 -8.992 0.098 -0.186 602 HA LYS 75 HA LYS 75 -8.983 1.602 2.303 603 1HB LYS 75 HB2 LYS 75 -10.550 2.031 -0.240 604 2HB LYS 75 HB1 LYS 75 -10.575 3.101 1.146 605 1HG LYS 75 HG2 LYS 75 -8.197 2.508 -0.602 606 2HG LYS 75 HG1 LYS 75 -9.177 3.974 -0.627 607 1HD LYS 75 HD2 LYS 75 -8.525 4.339 1.762 608 2HD LYS 75 HD1 LYS 75 -7.418 2.976 1.605 609 1HE LYS 75 HE2 LYS 75 -7.353 5.521 -0.021 610 2HE LYS 75 HE1 LYS 75 -6.271 5.102 1.305 611 1HZ LYS 75 HZ1 LYS 75 -5.355 4.776 -0.904 612 2HZ LYS 75 HZ2 LYS 75 -6.477 3.558 -1.237 613 3HZ LYS 75 HZ3 LYS 75 -5.335 3.346 -0.004 614 H ALA 76 HN ALA 76 -10.856 -0.873 0.819 615 HA ALA 76 HA ALA 76 -13.103 -0.225 2.565 616 1HB ALA 76 HB1 ALA 76 -14.466 -1.612 1.096 617 2HB ALA 76 HB2 ALA 76 -13.045 -1.990 0.121 618 3HB ALA 76 HB3 ALA 76 -13.657 -0.338 0.182 619 H GLY 77 HN GLY 77 -12.658 -1.172 4.459 620 1HA GLY 77 HA2 GLY 77 -11.638 -3.872 4.581 621 2HA GLY 77 HA1 GLY 77 -12.163 -2.880 5.944 622 H SER 78 HN SER 78 -14.632 -2.314 4.331 623 HA SER 78 HA SER 78 -16.032 -4.814 4.263 624 1HB SER 78 HB2 SER 78 -16.231 -4.205 6.628 625 2HB SER 78 HB1 SER 78 -16.757 -2.584 6.190 626 HG SER 78 HG SER 78 -18.656 -3.311 6.140 627 H ASP 79 HN ASP 79 -17.366 -4.695 2.578 628 HA ASP 79 HA ASP 79 -18.267 -2.043 1.730 629 1HB ASP 79 HB2 ASP 79 -18.629 -2.903 -0.517 630 2HB ASP 79 HB1 ASP 79 -16.996 -3.330 -0.047 631 H THR 80 HN THR 80 -20.407 -1.688 1.599 632 HA THR 80 HA THR 80 -22.059 -3.881 2.618 633 HB THR 80 HB THR 80 -21.504 -2.393 4.469 634 HG1 THR 80 HG1 THR 80 -24.180 -1.805 3.792 635 1HG2 THR 80 HG21 THR 80 -22.783 -0.196 2.836 636 2HG2 THR 80 HG22 THR 80 -21.071 -0.330 3.238 637 3HG2 THR 80 HG23 THR 80 -22.259 -0.046 4.512 638 H GLU 81 HN GLU 81 -21.654 -1.548 0.202 639 HA GLU 81 HA GLU 81 -24.387 -1.996 -0.672 640 1HB GLU 81 HB2 GLU 81 -24.379 0.206 0.384 641 2HB GLU 81 HB1 GLU 81 -22.968 0.679 -0.542 642 1HG GLU 81 HG2 GLU 81 -25.121 1.665 -1.306 643 2HG GLU 81 HG1 GLU 81 -24.225 0.795 -2.549 644 H LEU 82 HN LEU 82 -24.615 -2.172 -2.877 645 HA LEU 82 HA LEU 82 -22.187 -2.852 -4.290 646 1HB LEU 82 HB2 LEU 82 -24.192 -4.288 -4.425 647 2HB LEU 82 HB1 LEU 82 -25.078 -2.974 -5.168 648 HG LEU 82 HG LEU 82 -23.457 -3.054 -7.072 649 1HD1 LEU 82 HD11 LEU 82 -22.111 -5.074 -7.363 650 2HD1 LEU 82 HD12 LEU 82 -22.564 -5.598 -5.740 651 3HD1 LEU 82 HD13 LEU 82 -21.604 -4.136 -5.958 652 1HD2 LEU 82 HD21 LEU 82 -25.658 -4.083 -7.236 653 2HD2 LEU 82 HD22 LEU 82 -25.031 -5.569 -6.523 654 3HD2 LEU 82 HD23 LEU 82 -24.456 -5.035 -8.104 655 H ALA 83 HN ALA 83 -24.533 -0.304 -4.160 656 HA ALA 83 HA ALA 83 -23.808 0.905 -6.637 657 1HB ALA 83 HB1 ALA 83 -25.179 2.121 -4.235 658 2HB ALA 83 HB2 ALA 83 -25.989 1.325 -5.585 659 3HB ALA 83 HB3 ALA 83 -25.103 2.825 -5.852 660 H ALA 84 HN ALA 84 -22.054 2.020 -7.067 661 HA ALA 84 HA ALA 84 -20.743 3.585 -5.017 662 1HB ALA 84 HB1 ALA 84 -19.327 1.451 -6.632 663 2HB ALA 84 HB2 ALA 84 -19.612 1.407 -4.890 664 3HB ALA 84 HB3 ALA 84 -18.543 2.628 -5.581 665 HA PRO 85 HA PRO 85 -20.512 6.194 -8.657 666 1HB PRO 85 HB2 PRO 85 -18.699 7.901 -7.117 667 2HB PRO 85 HB1 PRO 85 -20.358 8.225 -7.620 668 1HG PRO 85 HG2 PRO 85 -19.695 7.825 -5.031 669 2HG PRO 85 HG1 PRO 85 -21.258 7.325 -5.700 670 1HD PRO 85 HD2 PRO 85 -18.808 5.679 -5.190 671 2HD PRO 85 HD1 PRO 85 -20.506 5.316 -4.807 672 H LYS 86 HN LYS 86 -18.886 4.031 -8.812 673 HA LYS 86 HA LYS 86 -16.098 4.301 -8.870 674 1HB LYS 86 HB2 LYS 86 -17.316 2.156 -9.016 675 2HB LYS 86 HB1 LYS 86 -17.863 2.587 -10.628 676 1HG LYS 86 HG2 LYS 86 -15.497 2.615 -11.369 677 2HG LYS 86 HG1 LYS 86 -15.028 2.044 -9.765 678 1HD LYS 86 HD2 LYS 86 -16.459 0.059 -10.086 679 2HD LYS 86 HD1 LYS 86 -16.856 0.633 -11.703 680 1HE LYS 86 HE2 LYS 86 -15.150 -1.026 -11.910 681 2HE LYS 86 HE1 LYS 86 -14.427 0.539 -12.260 682 1HZ LYS 86 HZ1 LYS 86 -13.484 0.548 -9.996 683 2HZ LYS 86 HZ2 LYS 86 -13.013 -0.808 -10.878 684 3HZ LYS 86 HZ3 LYS 86 -14.222 -0.951 -9.702 685 H SER 87 HN SER 87 -18.515 4.801 -11.403 686 HA SER 87 HA SER 87 -16.507 6.324 -12.884 687 1HB SER 87 HB2 SER 87 -18.757 4.670 -14.045 688 2HB SER 87 HB1 SER 87 -17.513 5.545 -14.950 689 HG SER 87 HG SER 87 -16.618 3.901 -12.992 690 H LYS 88 HN LYS 88 -17.099 8.200 -11.948 691 HA LYS 88 HA LYS 88 -19.346 9.587 -13.098 692 1HB LYS 88 HB2 LYS 88 -19.155 9.171 -10.097 693 2HB LYS 88 HB1 LYS 88 -19.980 10.561 -10.775 694 1HG LYS 88 HG2 LYS 88 -20.712 7.678 -11.260 695 2HG LYS 88 HG1 LYS 88 -21.521 8.770 -10.132 696 1HD LYS 88 HD2 LYS 88 -22.193 10.216 -11.963 697 2HD LYS 88 HD1 LYS 88 -21.288 9.227 -13.109 698 1HE LYS 88 HE2 LYS 88 -23.634 8.284 -11.465 699 2HE LYS 88 HE1 LYS 88 -23.716 8.776 -13.154 700 1HZ LYS 88 HZ1 LYS 88 -23.599 6.402 -12.966 701 2HZ LYS 88 HZ2 LYS 88 -22.197 6.456 -12.062 702 3HZ LYS 88 HZ3 LYS 88 -22.179 6.949 -13.692 703 H ASN 89 HN ASN 89 -17.085 9.880 -10.386 704 HA ASN 89 HA ASN 89 -15.806 12.068 -11.761 705 1HB ASN 89 HB2 ASN 89 -15.590 13.331 -9.660 706 2HB ASN 89 HB1 ASN 89 -17.284 13.090 -10.041 707 1HD2 ASN 89 HD21 ASN 89 -18.531 11.826 -8.682 708 2HD2 ASN 89 HD22 ASN 89 -17.985 11.301 -7.128 Start of MODEL 10 1 1H GLY 1 HT1 GLY 1 -4.131 8.711 11.926 2 2H GLY 1 HT2 GLY 1 -5.425 9.818 12.127 3 3H GLY 1 HT3 GLY 1 -3.820 10.364 11.907 4 1HA GLY 1 HA1 GLY 1 -5.188 10.587 9.914 5 2HA GLY 1 HA2 GLY 1 -3.757 9.578 9.708 6 H ASP 2 HN ASP 2 -4.427 7.253 10.769 7 HA ASP 2 HA ASP 2 -6.010 6.079 8.735 8 1HB ASP 2 HB2 ASP 2 -4.844 4.875 11.256 9 2HB ASP 2 HB1 ASP 2 -5.488 3.969 9.892 10 H GLY 3 HN GLY 3 -7.604 4.256 9.518 11 1HA GLY 3 HA2 GLY 3 -9.345 3.891 11.218 12 2HA GLY 3 HA1 GLY 3 -9.579 5.639 11.201 13 H GLU 4 HN GLU 4 -10.581 6.607 9.498 14 HA GLU 4 HA GLU 4 -12.233 4.893 7.837 15 1HB GLU 4 HB2 GLU 4 -13.182 6.935 8.882 16 2HB GLU 4 HB1 GLU 4 -12.002 7.911 8.018 17 1HG GLU 4 HG2 GLU 4 -12.996 7.129 5.888 18 2HG GLU 4 HG1 GLU 4 -14.236 6.298 6.825 19 H ALA 5 HN ALA 5 -9.714 7.309 7.608 20 HA ALA 5 HA ALA 5 -9.207 6.509 4.852 21 1HB ALA 5 HB1 ALA 5 -8.378 9.032 6.294 22 2HB ALA 5 HB2 ALA 5 -9.677 8.904 5.107 23 3HB ALA 5 HB3 ALA 5 -8.004 8.636 4.617 24 H GLN 6 HN GLN 6 -8.202 4.638 5.677 25 HA GLN 6 HA GLN 6 -5.947 4.646 7.350 26 1HB GLN 6 HB2 GLN 6 -7.187 2.613 6.747 27 2HB GLN 6 HB1 GLN 6 -6.682 2.795 5.075 28 1HG GLN 6 HG2 GLN 6 -4.366 2.463 5.759 29 2HG GLN 6 HG1 GLN 6 -4.897 2.261 7.426 30 1HE2 GLN 6 HE21 GLN 6 -4.147 0.233 7.575 31 2HE2 GLN 6 HE22 GLN 6 -4.815 -1.123 6.739 32 H ARG 7 HN ARG 7 -3.818 4.965 6.880 33 HA ARG 7 HA ARG 7 -3.208 6.755 4.827 34 1HB ARG 7 HB2 ARG 7 -1.974 6.797 6.832 35 2HB ARG 7 HB1 ARG 7 -1.548 5.101 6.695 36 1HG ARG 7 HG2 ARG 7 -0.128 5.580 4.816 37 2HG ARG 7 HG1 ARG 7 -0.607 7.276 4.863 38 1HD ARG 7 HD2 ARG 7 1.604 6.770 5.980 39 2HD ARG 7 HD1 ARG 7 0.428 7.613 6.986 40 HE ARG 7 HE ARG 7 -0.100 5.237 7.789 41 1HH1 ARG 7 HH11 ARG 7 3.156 6.333 6.914 42 2HH1 ARG 7 HH12 ARG 7 3.945 5.379 8.069 43 1HH2 ARG 7 HH21 ARG 7 1.004 3.982 9.455 44 2HH2 ARG 7 HH22 ARG 7 2.719 4.080 9.555 45 H ASP 8 HN ASP 8 -2.779 6.453 2.772 46 HA ASP 8 HA ASP 8 -2.652 3.925 1.531 47 1HB ASP 8 HB2 ASP 8 -1.893 6.635 0.519 48 2HB ASP 8 HB1 ASP 8 -1.456 5.201 -0.401 49 H LEU 9 HN LEU 9 -1.086 2.736 0.747 50 HA LEU 9 HA LEU 9 1.189 2.623 2.377 51 1HB LEU 9 HB2 LEU 9 0.515 1.080 -0.101 52 2HB LEU 9 HB1 LEU 9 1.790 0.677 1.035 53 HG LEU 9 HG LEU 9 -1.156 0.748 1.649 54 1HD1 LEU 9 HD11 LEU 9 0.769 -1.566 1.363 55 2HD1 LEU 9 HD12 LEU 9 -0.516 -1.140 0.229 56 3HD1 LEU 9 HD13 LEU 9 -0.917 -1.679 1.864 57 1HD2 LEU 9 HD21 LEU 9 -0.507 -0.229 3.798 58 2HD2 LEU 9 HD22 LEU 9 0.195 1.374 3.573 59 3HD2 LEU 9 HD23 LEU 9 1.195 -0.065 3.360 60 H VAL 10 HN VAL 10 0.678 4.092 -0.736 61 HA VAL 10 HA VAL 10 3.502 4.303 -1.224 62 HB VAL 10 HB VAL 10 1.201 5.877 -2.445 63 1HG1 VAL 10 HG11 VAL 10 3.268 7.218 -2.490 64 2HG1 VAL 10 HG12 VAL 10 2.826 6.674 -4.110 65 3HG1 VAL 10 HG13 VAL 10 4.126 5.867 -3.231 66 1HG2 VAL 10 HG21 VAL 10 1.255 3.529 -3.021 67 2HG2 VAL 10 HG22 VAL 10 2.945 3.668 -3.508 68 3HG2 VAL 10 HG23 VAL 10 1.692 4.519 -4.411 69 H LYS 11 HN LYS 11 1.081 6.194 0.375 70 HA LYS 11 HA LYS 11 2.961 8.313 0.976 71 1HB LYS 11 HB2 LYS 11 0.028 7.906 1.350 72 2HB LYS 11 HB1 LYS 11 0.834 9.082 2.384 73 1HG LYS 11 HG2 LYS 11 -0.162 10.199 0.484 74 2HG LYS 11 HG1 LYS 11 1.589 10.296 0.367 75 1HD LYS 11 HD2 LYS 11 0.801 9.846 -1.822 76 2HD LYS 11 HD1 LYS 11 1.458 8.329 -1.221 77 1HE LYS 11 HE2 LYS 11 -0.626 7.933 -2.401 78 2HE LYS 11 HE1 LYS 11 -0.827 7.574 -0.690 79 1HZ LYS 11 HZ1 LYS 11 -2.675 8.878 -1.776 80 2HZ LYS 11 HZ2 LYS 11 -1.613 10.184 -1.871 81 3HZ LYS 11 HZ3 LYS 11 -2.042 9.548 -0.368 82 H ALA 12 HN ALA 12 3.362 5.641 1.847 83 HA ALA 12 HA ALA 12 3.902 6.132 4.662 84 1HB ALA 12 HB1 ALA 12 2.656 3.582 3.607 85 2HB ALA 12 HB2 ALA 12 1.856 4.770 4.636 86 3HB ALA 12 HB3 ALA 12 3.220 3.840 5.259 87 H VAL 13 HN VAL 13 4.222 3.543 2.200 88 HA VAL 13 HA VAL 13 6.800 2.758 3.105 89 HB VAL 13 HB VAL 13 5.252 2.013 0.609 90 1HG1 VAL 13 HG11 VAL 13 7.682 0.699 1.816 91 2HG1 VAL 13 HG12 VAL 13 7.614 1.615 0.308 92 3HG1 VAL 13 HG13 VAL 13 6.743 0.085 0.447 93 1HG2 VAL 13 HG21 VAL 13 5.545 0.587 3.249 94 2HG2 VAL 13 HG22 VAL 13 4.714 -0.041 1.829 95 3HG2 VAL 13 HG23 VAL 13 4.096 1.393 2.648 96 H ALA 14 HN ALA 14 5.593 4.402 0.193 97 HA ALA 14 HA ALA 14 8.204 4.805 -0.827 98 1HB ALA 14 HB1 ALA 14 6.267 4.825 -2.329 99 2HB ALA 14 HB2 ALA 14 7.119 6.369 -2.448 100 3HB ALA 14 HB3 ALA 14 5.624 6.239 -1.513 101 H HIS 15 HN HIS 15 6.140 6.458 1.344 102 HA HIS 15 HA HIS 15 7.513 8.930 1.441 103 1HB HIS 15 HB2 HIS 15 5.202 8.650 2.274 104 2HB HIS 15 HB1 HIS 15 5.790 7.609 3.561 105 HD1 HIS 15 HD1 HIS 15 5.192 8.992 5.538 106 HD2 HIS 15 HD2 HIS 15 7.318 11.155 2.710 107 HE1 HIS 15 HE1 HIS 15 5.651 11.221 6.592 108 HE2 HIS 15 HE2 HIS 15 7.325 12.221 5.044 109 H ILE 16 HN ILE 16 8.152 5.813 2.824 110 HA ILE 16 HA ILE 16 10.007 6.562 4.827 111 HB ILE 16 HB ILE 16 9.688 3.991 3.230 112 1HG1 ILE 16 HG12 ILE 16 7.872 4.479 4.793 113 2HG1 ILE 16 HG11 ILE 16 8.769 3.049 5.282 114 1HG2 ILE 16 HG21 ILE 16 11.142 2.837 4.833 115 2HG2 ILE 16 HG22 ILE 16 11.568 4.385 5.554 116 3HG2 ILE 16 HG23 ILE 16 12.020 4.038 3.880 117 1HD1 ILE 16 HD11 ILE 16 8.198 4.435 7.197 118 2HD1 ILE 16 HD12 ILE 16 9.049 5.800 6.476 119 3HD1 ILE 16 HD13 ILE 16 9.947 4.366 6.971 120 H LEU 17 HN LEU 17 10.272 5.988 1.386 121 HA LEU 17 HA LEU 17 13.150 6.387 1.400 122 1HB LEU 17 HB2 LEU 17 11.244 6.062 -0.917 123 2HB LEU 17 HB1 LEU 17 12.989 6.111 -1.039 124 HG LEU 17 HG LEU 17 11.349 3.969 0.302 125 1HD1 LEU 17 HD11 LEU 17 11.267 3.886 -2.116 126 2HD1 LEU 17 HD12 LEU 17 12.228 2.548 -1.482 127 3HD1 LEU 17 HD13 LEU 17 13.027 3.950 -2.198 128 1HD2 LEU 17 HD21 LEU 17 13.445 4.338 1.501 129 2HD2 LEU 17 HD22 LEU 17 14.343 4.201 -0.012 130 3HD2 LEU 17 HD23 LEU 17 13.475 2.805 0.628 131 H GLY 18 HN GLY 18 10.273 8.127 0.835 132 1HA GLY 18 HA2 GLY 18 10.165 10.481 1.032 133 2HA GLY 18 HA1 GLY 18 11.833 10.564 0.463 134 H ILE 19 HN ILE 19 9.013 8.855 -0.826 135 HA ILE 19 HA ILE 19 9.103 10.541 -3.173 136 HB ILE 19 HB ILE 19 8.460 8.235 -4.341 137 1HG1 ILE 19 HG12 ILE 19 10.510 7.427 -2.270 138 2HG1 ILE 19 HG11 ILE 19 8.865 6.833 -2.411 139 1HG2 ILE 19 HG21 ILE 19 10.082 9.801 -5.224 140 2HG2 ILE 19 HG22 ILE 19 10.750 8.180 -5.291 141 3HG2 ILE 19 HG23 ILE 19 11.275 9.295 -4.026 142 1HD1 ILE 19 HD11 ILE 19 9.428 5.775 -4.537 143 2HD1 ILE 19 HD12 ILE 19 10.475 5.211 -3.233 144 3HD1 ILE 19 HD13 ILE 19 11.076 6.385 -4.405 145 H ARG 20 HN ARG 20 7.263 10.926 -4.119 146 HA ARG 20 HA ARG 20 4.869 9.375 -3.539 147 1HB ARG 20 HB2 ARG 20 4.928 11.262 -1.863 148 2HB ARG 20 HB1 ARG 20 4.822 12.375 -3.227 149 1HG ARG 20 HG2 ARG 20 2.760 10.795 -3.827 150 2HG ARG 20 HG1 ARG 20 2.772 10.581 -2.076 151 1HD ARG 20 HD2 ARG 20 1.331 12.417 -2.492 152 2HD ARG 20 HD1 ARG 20 2.842 13.103 -1.883 153 HE ARG 20 HE ARG 20 1.977 13.049 -4.683 154 1HH1 ARG 20 HH11 ARG 20 4.007 14.520 -2.131 155 2HH1 ARG 20 HH12 ARG 20 4.561 15.784 -3.119 156 1HH2 ARG 20 HH21 ARG 20 2.687 14.890 -6.007 157 2HH2 ARG 20 HH22 ARG 20 3.765 16.014 -5.353 158 H ASP 21 HN ASP 21 6.472 12.010 -5.285 159 HA ASP 21 HA ASP 21 4.485 11.956 -7.427 160 1HB ASP 21 HB2 ASP 21 5.807 13.645 -8.570 161 2HB ASP 21 HB1 ASP 21 5.662 14.121 -6.889 162 H LEU 22 HN LEU 22 7.649 10.684 -6.851 163 HA LEU 22 HA LEU 22 8.789 9.000 -7.862 164 1HB LEU 22 HB2 LEU 22 5.979 8.306 -8.605 165 2HB LEU 22 HB1 LEU 22 7.304 7.390 -9.283 166 HG LEU 22 HG LEU 22 6.350 6.236 -7.417 167 1HD1 LEU 22 HD11 LEU 22 8.688 5.952 -7.792 168 2HD1 LEU 22 HD12 LEU 22 8.354 5.910 -6.056 169 3HD1 LEU 22 HD13 LEU 22 9.056 7.351 -6.792 170 1HD2 LEU 22 HD21 LEU 22 6.462 7.089 -5.137 171 2HD2 LEU 22 HD22 LEU 22 5.445 8.107 -6.159 172 3HD2 LEU 22 HD23 LEU 22 7.081 8.622 -5.743 173 H ALA 23 HN ALA 23 8.219 11.584 -9.403 174 HA ALA 23 HA ALA 23 8.218 10.648 -12.061 175 1HB ALA 23 HB1 ALA 23 8.706 13.432 -10.992 176 2HB ALA 23 HB2 ALA 23 7.170 12.781 -11.564 177 3HB ALA 23 HB3 ALA 23 8.499 13.025 -12.694 178 H GLY 24 HN GLY 24 10.002 9.353 -12.171 179 1HA GLY 24 HA2 GLY 24 12.323 9.798 -13.203 180 2HA GLY 24 HA1 GLY 24 12.625 10.515 -11.615 181 H ILE 25 HN ILE 25 10.701 8.408 -10.567 182 HA ILE 25 HA ILE 25 12.777 6.370 -10.197 183 HB ILE 25 HB ILE 25 10.368 6.944 -8.389 184 1HG1 ILE 25 HG12 ILE 25 12.158 7.667 -6.695 185 2HG1 ILE 25 HG11 ILE 25 13.267 7.755 -8.052 186 1HG2 ILE 25 HG21 ILE 25 11.457 5.485 -6.749 187 2HG2 ILE 25 HG22 ILE 25 12.725 5.123 -7.919 188 3HG2 ILE 25 HG23 ILE 25 11.061 4.630 -8.241 189 1HD1 ILE 25 HD11 ILE 25 12.419 9.946 -7.477 190 2HD1 ILE 25 HD12 ILE 25 10.760 9.386 -7.672 191 3HD1 ILE 25 HD13 ILE 25 11.827 9.479 -9.072 192 H ASN 26 HN ASN 26 12.034 4.104 -10.199 193 HA ASN 26 HA ASN 26 10.223 3.731 -12.388 194 1HB ASN 26 HB2 ASN 26 11.680 1.706 -10.690 195 2HB ASN 26 HB1 ASN 26 10.670 1.298 -12.063 196 1HD2 ASN 26 HD21 ASN 26 13.661 2.552 -10.999 197 2HD2 ASN 26 HD22 ASN 26 14.458 2.632 -12.530 198 H LEU 27 HN LEU 27 8.229 3.055 -12.403 199 HA LEU 27 HA LEU 27 6.917 2.399 -9.863 200 1HB LEU 27 HB2 LEU 27 5.818 3.359 -12.510 201 2HB LEU 27 HB1 LEU 27 4.834 2.940 -11.119 202 HG LEU 27 HG LEU 27 6.855 5.173 -11.211 203 1HD1 LEU 27 HD11 LEU 27 4.900 5.632 -12.596 204 2HD1 LEU 27 HD12 LEU 27 4.905 6.640 -11.151 205 3HD1 LEU 27 HD13 LEU 27 3.843 5.232 -11.245 206 1HD2 LEU 27 HD21 LEU 27 5.907 5.798 -9.064 207 2HD2 LEU 27 HD22 LEU 27 6.601 4.173 -8.999 208 3HD2 LEU 27 HD23 LEU 27 4.853 4.392 -9.108 209 H ASP 28 HN ASP 28 8.464 1.050 -12.212 210 HA ASP 28 HA ASP 28 6.869 -1.377 -12.144 211 1HB ASP 28 HB2 ASP 28 6.638 -0.249 -14.393 212 2HB ASP 28 HB1 ASP 28 8.375 -0.454 -14.603 213 H SER 29 HN SER 29 8.405 -1.320 -10.336 214 HA SER 29 HA SER 29 10.517 -3.143 -10.941 215 1HB SER 29 HB2 SER 29 11.059 -0.531 -9.495 216 2HB SER 29 HB1 SER 29 12.160 -1.909 -9.527 217 HG SER 29 HG SER 29 11.266 -1.237 -11.960 218 H SER 30 HN SER 30 11.000 -4.397 -9.130 219 HA SER 30 HA SER 30 8.866 -4.775 -7.358 220 1HB SER 30 HB2 SER 30 11.734 -5.710 -7.222 221 2HB SER 30 HB1 SER 30 10.432 -6.367 -6.242 222 HG SER 30 HG SER 30 10.795 -6.490 -9.046 223 H LEU 31 HN LEU 31 8.751 -4.302 -5.118 224 HA LEU 31 HA LEU 31 9.712 -1.833 -4.254 225 1HB LEU 31 HB2 LEU 31 7.692 -3.206 -3.448 226 2HB LEU 31 HB1 LEU 31 8.819 -4.130 -2.486 227 HG LEU 31 HG LEU 31 9.343 -2.098 -1.170 228 1HD1 LEU 31 HD11 LEU 31 8.926 -0.458 -2.941 229 2HD1 LEU 31 HD12 LEU 31 7.980 -0.102 -1.488 230 3HD1 LEU 31 HD13 LEU 31 7.209 -0.859 -2.887 231 1HD2 LEU 31 HD21 LEU 31 6.391 -2.653 -1.429 232 2HD2 LEU 31 HD22 LEU 31 7.187 -1.886 -0.055 233 3HD2 LEU 31 HD23 LEU 31 7.534 -3.569 -0.446 234 H ALA 32 HN ALA 32 10.994 -5.000 -4.130 235 HA ALA 32 HA ALA 32 12.990 -4.775 -2.195 236 1HB ALA 32 HB1 ALA 32 13.071 -6.385 -4.742 237 2HB ALA 32 HB2 ALA 32 12.359 -6.910 -3.218 238 3HB ALA 32 HB3 ALA 32 14.099 -6.631 -3.332 239 H ASP 33 HN ASP 33 13.042 -4.136 -5.669 240 HA ASP 33 HA ASP 33 15.756 -3.536 -5.945 241 1HB ASP 33 HB2 ASP 33 13.348 -2.765 -7.582 242 2HB ASP 33 HB1 ASP 33 14.961 -2.259 -8.044 243 H LEU 34 HN LEU 34 13.061 -1.695 -4.960 244 HA LEU 34 HA LEU 34 14.201 0.901 -5.179 245 1HB LEU 34 HB2 LEU 34 12.051 0.025 -3.273 246 2HB LEU 34 HB1 LEU 34 12.279 1.616 -3.983 247 HG LEU 34 HG LEU 34 11.428 -0.863 -5.474 248 1HD1 LEU 34 HD11 LEU 34 9.854 1.528 -4.616 249 2HD1 LEU 34 HD12 LEU 34 9.763 -0.128 -3.994 250 3HD1 LEU 34 HD13 LEU 34 9.282 0.212 -5.654 251 1HD2 LEU 34 HD21 LEU 34 10.942 0.605 -7.306 252 2HD2 LEU 34 HD22 LEU 34 12.664 0.661 -6.907 253 3HD2 LEU 34 HD23 LEU 34 11.591 1.993 -6.428 254 H GLY 35 HN GLY 35 13.581 -1.268 -2.418 255 1HA GLY 35 HA2 GLY 35 16.062 -1.220 -1.268 256 2HA GLY 35 HA1 GLY 35 15.270 0.221 -0.650 257 H LEU 36 HN LEU 36 13.999 -3.046 -1.292 258 HA LEU 36 HA LEU 36 13.343 -3.100 1.544 259 1HB LEU 36 HB2 LEU 36 11.260 -2.701 0.849 260 2HB LEU 36 HB1 LEU 36 11.384 -3.522 -0.673 261 HG LEU 36 HG LEU 36 11.339 -5.706 0.647 262 1HD1 LEU 36 HD11 LEU 36 10.506 -3.920 2.906 263 2HD1 LEU 36 HD12 LEU 36 11.973 -4.893 2.817 264 3HD1 LEU 36 HD13 LEU 36 10.397 -5.681 2.883 265 1HD2 LEU 36 HD21 LEU 36 8.941 -5.687 0.973 266 2HD2 LEU 36 HD22 LEU 36 9.399 -4.873 -0.528 267 3HD2 LEU 36 HD23 LEU 36 8.939 -3.928 0.885 268 H ASP 37 HN ASP 37 14.219 -4.537 2.565 269 HA ASP 37 HA ASP 37 13.462 -7.233 1.895 270 1HB ASP 37 HB2 ASP 37 15.851 -7.125 1.180 271 2HB ASP 37 HB1 ASP 37 16.298 -6.605 2.803 272 H SER 38 HN SER 38 13.772 -4.641 4.077 273 HA SER 38 HA SER 38 13.114 -6.442 6.269 274 1HB SER 38 HB2 SER 38 14.853 -3.990 6.510 275 2HB SER 38 HB1 SER 38 14.429 -5.110 7.807 276 HG SER 38 HG SER 38 16.035 -5.527 5.537 277 H LEU 39 HN LEU 39 13.264 -2.853 6.398 278 HA LEU 39 HA LEU 39 10.924 -2.833 7.995 279 1HB LEU 39 HB2 LEU 39 12.714 -1.202 8.290 280 2HB LEU 39 HB1 LEU 39 12.349 -0.509 6.721 281 HG LEU 39 HG LEU 39 10.039 -0.021 7.602 282 1HD1 LEU 39 HD11 LEU 39 9.993 -1.524 9.467 283 2HD1 LEU 39 HD12 LEU 39 9.757 0.137 10.016 284 3HD1 LEU 39 HD13 LEU 39 11.318 -0.656 10.242 285 1HD2 LEU 39 HD21 LEU 39 12.377 1.355 8.913 286 2HD2 LEU 39 HD22 LEU 39 10.724 1.982 8.788 287 3HD2 LEU 39 HD23 LEU 39 11.676 1.711 7.324 288 H MET 40 HN MET 40 11.448 -2.161 4.603 289 HA MET 40 HA MET 40 8.953 -0.790 4.204 290 1HB MET 40 HB2 MET 40 10.969 -1.897 2.277 291 2HB MET 40 HB1 MET 40 9.506 -1.068 1.776 292 1HG MET 40 HG2 MET 40 10.205 0.944 2.911 293 2HG MET 40 HG1 MET 40 11.626 0.121 3.543 294 1HE MET 40 HE1 MET 40 9.816 1.360 0.264 295 2HE MET 40 HE2 MET 40 10.152 -0.337 -0.077 296 3HE MET 40 HE3 MET 40 11.003 0.927 -0.965 297 H GLY 41 HN GLY 41 9.280 -3.785 5.008 298 1HA GLY 41 HA2 GLY 41 6.875 -4.569 3.491 299 2HA GLY 41 HA1 GLY 41 8.093 -5.732 4.018 300 H VAL 42 HN VAL 42 8.599 -4.560 6.540 301 HA VAL 42 HA VAL 42 6.567 -5.845 8.047 302 HB VAL 42 HB VAL 42 8.833 -4.067 9.003 303 1HG1 VAL 42 HG11 VAL 42 7.093 -6.005 10.523 304 2HG1 VAL 42 HG12 VAL 42 7.059 -4.248 10.663 305 3HG1 VAL 42 HG13 VAL 42 8.488 -5.147 11.177 306 1HG2 VAL 42 HG21 VAL 42 9.632 -6.023 7.794 307 2HG2 VAL 42 HG22 VAL 42 8.636 -7.071 8.808 308 3HG2 VAL 42 HG23 VAL 42 9.978 -6.170 9.519 309 H GLU 43 HN GLU 43 7.339 -2.356 7.550 310 HA GLU 43 HA GLU 43 5.356 -1.565 9.375 311 1HB GLU 43 HB2 GLU 43 7.126 -0.003 8.702 312 2HB GLU 43 HB1 GLU 43 6.486 0.044 7.065 313 1HG GLU 43 HG2 GLU 43 4.493 1.124 7.785 314 2HG GLU 43 HG1 GLU 43 4.901 0.880 9.479 315 H VAL 44 HN VAL 44 5.233 -2.460 6.059 316 HA VAL 44 HA VAL 44 2.672 -1.520 5.284 317 HB VAL 44 HB VAL 44 3.893 -4.153 4.455 318 1HG1 VAL 44 HG11 VAL 44 1.655 -3.764 3.625 319 2HG1 VAL 44 HG12 VAL 44 2.842 -3.714 2.314 320 3HG1 VAL 44 HG13 VAL 44 2.168 -2.215 2.948 321 1HG2 VAL 44 HG21 VAL 44 4.594 -1.422 3.418 322 2HG2 VAL 44 HG22 VAL 44 5.092 -2.965 2.704 323 3HG2 VAL 44 HG23 VAL 44 5.617 -2.535 4.333 324 H ARG 45 HN ARG 45 3.790 -4.514 6.713 325 HA ARG 45 HA ARG 45 1.345 -5.845 6.969 326 1HB ARG 45 HB2 ARG 45 3.724 -5.989 8.811 327 2HB ARG 45 HB1 ARG 45 2.463 -7.189 8.735 328 1HG ARG 45 HG2 ARG 45 3.131 -7.614 6.370 329 2HG ARG 45 HG1 ARG 45 4.494 -6.519 6.636 330 1HD ARG 45 HD2 ARG 45 3.910 -9.121 8.030 331 2HD ARG 45 HD1 ARG 45 5.286 -8.730 6.993 332 HE ARG 45 HE ARG 45 5.056 -7.013 9.233 333 1HH1 ARG 45 HH11 ARG 45 6.456 -10.098 8.137 334 2HH1 ARG 45 HH12 ARG 45 7.484 -10.266 9.489 335 1HH2 ARG 45 HH21 ARG 45 6.417 -7.367 11.154 336 2HH2 ARG 45 HH22 ARG 45 7.462 -8.702 11.231 337 H GLN 46 HN GLN 46 2.983 -3.570 9.110 338 HA GLN 46 HA GLN 46 1.096 -3.852 11.221 339 1HB GLN 46 HB2 GLN 46 3.035 -1.564 10.771 340 2HB GLN 46 HB1 GLN 46 2.248 -1.980 12.284 341 1HG GLN 46 HG2 GLN 46 3.473 -4.108 12.323 342 2HG GLN 46 HG1 GLN 46 4.273 -3.656 10.821 343 1HE2 GLN 46 HE21 GLN 46 3.579 -1.502 13.506 344 2HE2 GLN 46 HE22 GLN 46 5.231 -1.190 13.908 345 H ILE 47 HN ILE 47 0.701 -2.516 8.322 346 HA ILE 47 HA ILE 47 -1.273 -0.575 9.256 347 HB ILE 47 HB ILE 47 -0.049 -0.965 6.491 348 1HG1 ILE 47 HG12 ILE 47 0.261 1.291 8.486 349 2HG1 ILE 47 HG11 ILE 47 1.450 0.037 8.151 350 1HG2 ILE 47 HG21 ILE 47 -1.244 1.072 5.837 351 2HG2 ILE 47 HG22 ILE 47 -2.041 1.100 7.414 352 3HG2 ILE 47 HG23 ILE 47 -2.358 -0.219 6.286 353 1HD1 ILE 47 HD11 ILE 47 2.011 2.144 7.056 354 2HD1 ILE 47 HD12 ILE 47 0.476 2.104 6.186 355 3HD1 ILE 47 HD13 ILE 47 1.698 0.870 5.877 356 H LEU 48 HN LEU 48 -0.869 -3.147 6.812 357 HA LEU 48 HA LEU 48 -3.688 -3.377 6.422 358 1HB LEU 48 HB2 LEU 48 -1.450 -5.131 5.433 359 2HB LEU 48 HB1 LEU 48 -3.132 -5.427 5.060 360 HG LEU 48 HG LEU 48 -2.192 -4.388 3.180 361 1HD1 LEU 48 HD11 LEU 48 -3.419 -2.300 2.969 362 2HD1 LEU 48 HD12 LEU 48 -3.685 -2.290 4.714 363 3HD1 LEU 48 HD13 LEU 48 -4.389 -3.568 3.721 364 1HD2 LEU 48 HD21 LEU 48 -1.118 -2.254 4.997 365 2HD2 LEU 48 HD22 LEU 48 -1.026 -2.244 3.238 366 3HD2 LEU 48 HD23 LEU 48 -0.183 -3.492 4.161 367 H GLU 49 HN GLU 49 -1.341 -5.472 8.048 368 HA GLU 49 HA GLU 49 -3.108 -7.547 8.748 369 1HB GLU 49 HB2 GLU 49 -0.729 -7.872 8.771 370 2HB GLU 49 HB1 GLU 49 -0.515 -6.581 9.937 371 1HG GLU 49 HG2 GLU 49 -1.827 -8.014 11.548 372 2HG GLU 49 HG1 GLU 49 -1.664 -9.313 10.365 373 H ARG 50 HN ARG 50 -2.222 -4.592 10.152 374 HA ARG 50 HA ARG 50 -3.201 -5.054 12.767 375 1HB ARG 50 HB2 ARG 50 -1.418 -3.435 11.862 376 2HB ARG 50 HB1 ARG 50 -2.774 -2.378 11.532 377 1HG ARG 50 HG2 ARG 50 -1.729 -1.816 13.617 378 2HG ARG 50 HG1 ARG 50 -3.365 -2.422 13.898 379 1HD ARG 50 HD2 ARG 50 -2.570 -4.517 14.628 380 2HD ARG 50 HD1 ARG 50 -0.947 -4.196 14.021 381 HE ARG 50 HE ARG 50 -1.691 -2.287 15.924 382 1HH1 ARG 50 HH11 ARG 50 -0.819 -5.706 15.700 383 2HH1 ARG 50 HH12 ARG 50 -0.027 -5.786 17.205 384 1HH2 ARG 50 HH21 ARG 50 -0.549 -2.312 17.927 385 2HH2 ARG 50 HH22 ARG 50 0.169 -3.745 18.528 386 H GLU 51 HN GLU 51 -4.358 -2.999 10.091 387 HA GLU 51 HA GLU 51 -6.791 -2.400 11.547 388 1HB GLU 51 HB2 GLU 51 -5.750 -1.444 8.914 389 2HB GLU 51 HB1 GLU 51 -7.266 -0.916 9.626 390 1HG GLU 51 HG2 GLU 51 -4.573 -0.594 10.915 391 2HG GLU 51 HG1 GLU 51 -5.432 0.664 10.025 392 H HIS 52 HN HIS 52 -5.930 -4.188 8.610 393 HA HIS 52 HA HIS 52 -8.802 -4.726 8.318 394 1HB HIS 52 HB2 HIS 52 -6.679 -4.530 6.181 395 2HB HIS 52 HB1 HIS 52 -8.242 -5.289 5.911 396 HD1 HIS 52 HD1 HIS 52 -9.775 -3.799 4.760 397 HD2 HIS 52 HD2 HIS 52 -7.238 -1.681 7.262 398 HE1 HIS 52 HE1 HIS 52 -10.381 -1.383 4.451 399 HE2 HIS 52 HE2 HIS 52 -8.686 -0.122 5.788 400 H ASP 53 HN ASP 53 -6.088 -6.154 9.400 401 HA ASP 53 HA ASP 53 -5.515 -8.240 9.949 402 1HB ASP 53 HB2 ASP 53 -8.381 -8.771 9.232 403 2HB ASP 53 HB1 ASP 53 -7.307 -10.111 9.610 404 H LEU 54 HN LEU 54 -5.260 -7.223 7.144 405 HA LEU 54 HA LEU 54 -4.909 -9.735 5.717 406 1HB LEU 54 HB2 LEU 54 -4.520 -6.864 4.886 407 2HB LEU 54 HB1 LEU 54 -3.819 -8.160 3.951 408 HG LEU 54 HG LEU 54 -6.120 -9.053 3.574 409 1HD1 LEU 54 HD11 LEU 54 -8.029 -7.579 3.967 410 2HD1 LEU 54 HD12 LEU 54 -6.960 -6.463 4.823 411 3HD1 LEU 54 HD13 LEU 54 -7.255 -8.069 5.478 412 1HD2 LEU 54 HD21 LEU 54 -6.736 -7.360 1.921 413 2HD2 LEU 54 HD22 LEU 54 -5.009 -7.712 1.902 414 3HD2 LEU 54 HD23 LEU 54 -5.602 -6.234 2.664 415 H VAL 55 HN VAL 55 -3.278 -10.868 6.519 416 HA VAL 55 HA VAL 55 -0.851 -9.544 7.301 417 HB VAL 55 HB VAL 55 -1.441 -12.520 7.108 418 1HG1 VAL 55 HG11 VAL 55 0.505 -12.798 8.595 419 2HG1 VAL 55 HG12 VAL 55 0.813 -11.065 8.497 420 3HG1 VAL 55 HG13 VAL 55 0.951 -12.068 7.054 421 1HG2 VAL 55 HG21 VAL 55 -1.733 -12.441 9.554 422 2HG2 VAL 55 HG22 VAL 55 -2.925 -11.449 8.715 423 3HG2 VAL 55 HG23 VAL 55 -1.548 -10.688 9.508 424 H LEU 56 HN LEU 56 -0.113 -8.637 5.485 425 HA LEU 56 HA LEU 56 0.442 -10.307 3.152 426 1HB LEU 56 HB2 LEU 56 0.865 -7.371 3.575 427 2HB LEU 56 HB1 LEU 56 1.038 -8.210 2.054 428 HG LEU 56 HG LEU 56 -1.567 -7.793 3.533 429 1HD1 LEU 56 HD11 LEU 56 -0.706 -5.746 2.535 430 2HD1 LEU 56 HD12 LEU 56 -2.126 -6.324 1.663 431 3HD1 LEU 56 HD13 LEU 56 -0.513 -6.571 0.988 432 1HD2 LEU 56 HD21 LEU 56 -2.620 -8.731 1.541 433 2HD2 LEU 56 HD22 LEU 56 -1.533 -9.905 2.288 434 3HD2 LEU 56 HD23 LEU 56 -1.033 -9.039 0.834 435 HA PRO 57 HA PRO 57 4.467 -10.535 5.186 436 1HB PRO 57 HB2 PRO 57 4.871 -12.750 3.319 437 2HB PRO 57 HB1 PRO 57 4.856 -12.774 5.090 438 1HG PRO 57 HG2 PRO 57 2.850 -13.901 3.717 439 2HG PRO 57 HG1 PRO 57 2.529 -12.947 5.189 440 1HD PRO 57 HD2 PRO 57 2.381 -12.051 2.332 441 2HD PRO 57 HD1 PRO 57 1.137 -11.934 3.606 442 H ILE 58 HN ILE 58 6.677 -10.535 4.386 443 HA ILE 58 HA ILE 58 6.973 -8.596 2.375 444 HB ILE 58 HB ILE 58 9.087 -10.263 3.814 445 1HG1 ILE 58 HG12 ILE 58 9.686 -8.032 4.864 446 2HG1 ILE 58 HG11 ILE 58 8.228 -7.377 4.143 447 1HG2 ILE 58 HG21 ILE 58 9.568 -7.960 1.939 448 2HG2 ILE 58 HG22 ILE 58 9.976 -9.655 1.662 449 3HG2 ILE 58 HG23 ILE 58 10.790 -8.749 2.942 450 1HD1 ILE 58 HD11 ILE 58 8.371 -9.572 6.197 451 2HD1 ILE 58 HD12 ILE 58 6.890 -8.927 5.488 452 3HD1 ILE 58 HD13 ILE 58 7.912 -7.896 6.489 453 H ARG 59 HN ARG 59 6.976 -12.019 2.333 454 HA ARG 59 HA ARG 59 8.373 -12.588 -0.034 455 1HB ARG 59 HB2 ARG 59 5.886 -14.006 0.972 456 2HB ARG 59 HB1 ARG 59 6.866 -14.575 -0.360 457 1HG ARG 59 HG2 ARG 59 7.514 -15.876 1.447 458 2HG ARG 59 HG1 ARG 59 8.788 -14.664 1.328 459 1HD ARG 59 HD2 ARG 59 7.654 -13.380 3.102 460 2HD ARG 59 HD1 ARG 59 6.455 -14.659 3.233 461 HE ARG 59 HE ARG 59 9.227 -15.428 3.560 462 1HH1 ARG 59 HH11 ARG 59 6.072 -14.928 5.045 463 2HH1 ARG 59 HH12 ARG 59 6.567 -15.269 6.642 464 1HH2 ARG 59 HH21 ARG 59 9.943 -16.023 5.752 465 2HH2 ARG 59 HH22 ARG 59 8.838 -15.886 7.037 466 H GLU 60 HN GLU 60 5.184 -11.240 0.374 467 HA GLU 60 HA GLU 60 4.748 -11.258 -2.540 468 1HB GLU 60 HB2 GLU 60 2.832 -10.796 -0.249 469 2HB GLU 60 HB1 GLU 60 2.398 -10.764 -1.957 470 1HG GLU 60 HG2 GLU 60 2.928 -13.083 -2.198 471 2HG GLU 60 HG1 GLU 60 3.574 -13.150 -0.560 472 H VAL 61 HN VAL 61 4.988 -9.152 0.265 473 HA VAL 61 HA VAL 61 4.233 -6.786 -1.081 474 HB VAL 61 HB VAL 61 5.857 -7.131 1.466 475 1HG1 VAL 61 HG11 VAL 61 6.267 -4.920 0.511 476 2HG1 VAL 61 HG12 VAL 61 5.295 -4.803 1.980 477 3HG1 VAL 61 HG13 VAL 61 4.532 -4.636 0.398 478 1HG2 VAL 61 HG21 VAL 61 3.611 -8.040 1.610 479 2HG2 VAL 61 HG22 VAL 61 2.939 -6.516 1.030 480 3HG2 VAL 61 HG23 VAL 61 3.755 -6.583 2.594 481 H ARG 62 HN ARG 62 7.253 -8.464 -0.868 482 HA ARG 62 HA ARG 62 8.924 -6.263 -1.427 483 1HB ARG 62 HB2 ARG 62 9.553 -8.493 -0.343 484 2HB ARG 62 HB1 ARG 62 9.655 -9.135 -1.972 485 1HG ARG 62 HG2 ARG 62 11.417 -7.650 -2.523 486 2HG ARG 62 HG1 ARG 62 11.221 -6.763 -1.014 487 1HD ARG 62 HD2 ARG 62 13.145 -8.209 -0.839 488 2HD ARG 62 HD1 ARG 62 11.875 -8.818 0.214 489 HE ARG 62 HE ARG 62 11.933 -10.016 -2.401 490 1HH1 ARG 62 HH11 ARG 62 13.438 -10.155 0.831 491 2HH1 ARG 62 HH12 ARG 62 13.748 -11.807 0.777 492 1HH2 ARG 62 HH21 ARG 62 12.412 -12.359 -2.474 493 2HH2 ARG 62 HH22 ARG 62 13.110 -13.102 -1.103 494 H GLN 63 HN GLN 63 6.784 -7.790 -3.508 495 HA GLN 63 HA GLN 63 8.385 -6.879 -5.788 496 1HB GLN 63 HB2 GLN 63 7.156 -8.424 -7.295 497 2HB GLN 63 HB1 GLN 63 8.062 -9.273 -6.059 498 1HG GLN 63 HG2 GLN 63 5.208 -8.717 -5.517 499 2HG GLN 63 HG1 GLN 63 5.582 -9.889 -6.778 500 1HE2 GLN 63 HE21 GLN 63 7.693 -9.488 -4.082 501 2HE2 GLN 63 HE22 GLN 63 7.263 -10.970 -3.277 502 H LEU 64 HN LEU 64 6.154 -5.703 -3.928 503 HA LEU 64 HA LEU 64 4.211 -4.924 -5.868 504 1HB LEU 64 HB2 LEU 64 4.823 -3.652 -3.190 505 2HB LEU 64 HB1 LEU 64 3.396 -3.358 -4.160 506 HG LEU 64 HG LEU 64 4.128 -5.892 -2.722 507 1HD1 LEU 64 HD11 LEU 64 2.079 -5.459 -1.446 508 2HD1 LEU 64 HD12 LEU 64 1.876 -3.941 -2.323 509 3HD1 LEU 64 HD13 LEU 64 3.271 -4.169 -1.269 510 1HD2 LEU 64 HD21 LEU 64 1.960 -6.781 -3.480 511 2HD2 LEU 64 HD22 LEU 64 3.053 -6.475 -4.829 512 3HD2 LEU 64 HD23 LEU 64 1.737 -5.348 -4.486 513 H THR 65 HN THR 65 4.384 -3.315 -7.319 514 HA THR 65 HA THR 65 6.943 -2.154 -7.705 515 HB THR 65 HB THR 65 5.789 -1.460 -9.843 516 HG1 THR 65 HG1 THR 65 3.653 -1.513 -9.506 517 1HG2 THR 65 HG21 THR 65 5.615 -4.322 -8.980 518 2HG2 THR 65 HG22 THR 65 7.113 -3.541 -9.438 519 3HG2 THR 65 HG23 THR 65 5.818 -3.769 -10.652 520 H LEU 66 HN LEU 66 6.112 -0.954 -5.516 521 HA LEU 66 HA LEU 66 5.928 1.017 -4.462 522 1HB LEU 66 HB2 LEU 66 7.624 1.636 -6.324 523 2HB LEU 66 HB1 LEU 66 6.291 2.454 -7.097 524 HG LEU 66 HG LEU 66 7.726 4.025 -5.893 525 1HD1 LEU 66 HD11 LEU 66 5.071 3.725 -4.539 526 2HD1 LEU 66 HD12 LEU 66 5.376 4.590 -6.048 527 3HD1 LEU 66 HD13 LEU 66 6.072 5.178 -4.525 528 1HD2 LEU 66 HD21 LEU 66 6.993 2.462 -3.426 529 2HD2 LEU 66 HD22 LEU 66 7.895 3.980 -3.455 530 3HD2 LEU 66 HD23 LEU 66 8.581 2.530 -4.188 531 H ARG 67 HN ARG 67 4.311 1.777 -7.567 532 HA ARG 67 HA ARG 67 2.216 3.105 -6.145 533 1HB ARG 67 HB2 ARG 67 2.533 2.405 -9.038 534 2HB ARG 67 HB1 ARG 67 0.998 3.005 -8.426 535 1HG ARG 67 HG2 ARG 67 3.650 4.431 -8.339 536 2HG ARG 67 HG1 ARG 67 2.283 4.806 -9.390 537 1HD ARG 67 HD2 ARG 67 0.947 5.126 -7.227 538 2HD ARG 67 HD1 ARG 67 2.503 5.130 -6.411 539 HE ARG 67 HE ARG 67 2.501 6.972 -8.570 540 1HH1 ARG 67 HH11 ARG 67 1.282 6.665 -5.271 541 2HH1 ARG 67 HH12 ARG 67 1.165 8.356 -5.059 542 1HH2 ARG 67 HH21 ARG 67 2.310 9.231 -8.256 543 2HH2 ARG 67 HH22 ARG 67 1.809 9.821 -6.742 544 H LYS 68 HN LYS 68 2.714 -0.091 -7.248 545 HA LYS 68 HA LYS 68 0.082 -1.044 -7.044 546 1HB LYS 68 HB2 LYS 68 2.010 -2.334 -8.006 547 2HB LYS 68 HB1 LYS 68 2.586 -2.592 -6.364 548 1HG LYS 68 HG2 LYS 68 0.583 -3.846 -5.819 549 2HG LYS 68 HG1 LYS 68 -0.060 -3.551 -7.435 550 1HD LYS 68 HD2 LYS 68 2.496 -5.051 -6.828 551 2HD LYS 68 HD1 LYS 68 0.941 -5.805 -7.165 552 1HE LYS 68 HE2 LYS 68 2.474 -4.012 -9.053 553 2HE LYS 68 HE1 LYS 68 2.417 -5.768 -9.127 554 1HZ LYS 68 HZ1 LYS 68 0.108 -3.919 -9.523 555 2HZ LYS 68 HZ2 LYS 68 -0.008 -5.595 -9.475 556 3HZ LYS 68 HZ3 LYS 68 0.892 -4.843 -10.689 557 H LEU 69 HN LEU 69 2.349 -0.119 -4.631 558 HA LEU 69 HA LEU 69 1.257 -1.354 -2.358 559 1HB LEU 69 HB2 LEU 69 2.686 1.264 -2.710 560 2HB LEU 69 HB1 LEU 69 1.942 0.897 -1.175 561 HG LEU 69 HG LEU 69 4.310 0.450 -1.106 562 1HD1 LEU 69 HD11 LEU 69 2.710 -2.085 -1.060 563 2HD1 LEU 69 HD12 LEU 69 2.902 -0.930 0.260 564 3HD1 LEU 69 HD13 LEU 69 4.292 -1.849 -0.317 565 1HD2 LEU 69 HD21 LEU 69 5.341 -1.320 -2.439 566 2HD2 LEU 69 HD22 LEU 69 4.715 -0.023 -3.460 567 3HD2 LEU 69 HD23 LEU 69 3.828 -1.539 -3.314 568 H GLN 70 HN GLN 70 0.161 1.540 -4.080 569 HA GLN 70 HA GLN 70 -1.965 1.768 -2.144 570 1HB GLN 70 HB2 GLN 70 -2.631 3.889 -3.258 571 2HB GLN 70 HB1 GLN 70 -1.007 3.894 -2.610 572 1HG GLN 70 HG2 GLN 70 -0.106 3.597 -4.833 573 2HG GLN 70 HG1 GLN 70 -1.751 3.597 -5.518 574 1HE2 GLN 70 HE21 GLN 70 -1.238 5.468 -6.770 575 2HE2 GLN 70 HE22 GLN 70 -1.145 7.005 -6.002 576 H GLU 71 HN GLU 71 -1.545 -0.110 -4.559 577 HA GLU 71 HA GLU 71 -4.301 -0.076 -5.548 578 1HB GLU 71 HB2 GLU 71 -2.316 -0.549 -7.074 579 2HB GLU 71 HB1 GLU 71 -2.018 -1.996 -6.134 580 1HG GLU 71 HG2 GLU 71 -3.124 -2.652 -8.114 581 2HG GLU 71 HG1 GLU 71 -4.293 -2.793 -6.806 582 H MET 72 HN MET 72 -2.131 -1.479 -3.315 583 HA MET 72 HA MET 72 -4.034 -3.548 -2.451 584 1HB MET 72 HB2 MET 72 -1.082 -3.210 -1.873 585 2HB MET 72 HB1 MET 72 -2.095 -4.493 -1.238 586 1HG MET 72 HG2 MET 72 -1.445 -4.037 -4.146 587 2HG MET 72 HG1 MET 72 -0.694 -5.224 -3.091 588 1HE MET 72 HE1 MET 72 -1.954 -7.323 -2.052 589 2HE MET 72 HE2 MET 72 -3.671 -7.649 -2.294 590 3HE MET 72 HE3 MET 72 -3.164 -6.246 -1.354 591 H SER 73 HN SER 73 -3.672 -0.446 -1.861 592 HA SER 73 HA SER 73 -2.843 -0.440 0.841 593 1HB SER 73 HB2 SER 73 -3.305 1.995 0.743 594 2HB SER 73 HB1 SER 73 -2.246 1.400 -0.529 595 HG SER 73 HG SER 73 -4.110 2.880 -1.059 596 H SER 74 HN SER 74 -5.640 -1.457 -0.435 597 HA SER 74 HA SER 74 -7.761 -1.801 0.250 598 1HB SER 74 HB2 SER 74 -6.690 -0.975 2.968 599 2HB SER 74 HB1 SER 74 -8.153 -1.918 2.664 600 HG SER 74 HG SER 74 -5.512 -2.660 1.982 601 H LYS 75 HN LYS 75 -7.205 0.599 -0.915 602 HA LYS 75 HA LYS 75 -8.566 2.619 0.700 603 1HB LYS 75 HB2 LYS 75 -6.318 3.066 -0.363 604 2HB LYS 75 HB1 LYS 75 -7.131 3.004 -1.918 605 1HG LYS 75 HG2 LYS 75 -6.849 5.281 -1.240 606 2HG LYS 75 HG1 LYS 75 -8.561 4.869 -1.226 607 1HD LYS 75 HD2 LYS 75 -8.039 6.209 0.722 608 2HD LYS 75 HD1 LYS 75 -8.442 4.574 1.225 609 1HE LYS 75 HE2 LYS 75 -5.564 5.467 0.877 610 2HE LYS 75 HE1 LYS 75 -6.419 5.712 2.385 611 1HZ LYS 75 HZ1 LYS 75 -6.743 3.263 2.436 612 2HZ LYS 75 HZ2 LYS 75 -5.180 3.820 2.564 613 3HZ LYS 75 HZ3 LYS 75 -5.686 3.138 1.095 614 H ALA 76 HN ALA 76 -10.676 2.455 0.471 615 HA ALA 76 HA ALA 76 -12.700 2.671 -0.352 616 1HB ALA 76 HB1 ALA 76 -11.490 3.097 -3.099 617 2HB ALA 76 HB2 ALA 76 -11.850 4.375 -1.940 618 3HB ALA 76 HB3 ALA 76 -13.162 3.417 -2.631 619 H GLY 77 HN GLY 77 -12.690 0.523 0.357 620 1HA GLY 77 HA2 GLY 77 -13.617 -1.239 -1.713 621 2HA GLY 77 HA1 GLY 77 -12.174 -1.770 -0.851 622 H SER 78 HN SER 78 -14.597 -3.139 -0.785 623 HA SER 78 HA SER 78 -15.340 -2.681 1.983 624 1HB SER 78 HB2 SER 78 -17.021 -3.840 -0.238 625 2HB SER 78 HB1 SER 78 -17.534 -3.612 1.436 626 HG SER 78 HG SER 78 -16.568 -1.328 0.742 627 H ASP 79 HN ASP 79 -13.702 -3.886 2.684 628 HA ASP 79 HA ASP 79 -13.777 -6.789 2.168 629 1HB ASP 79 HB2 ASP 79 -11.419 -6.875 2.746 630 2HB ASP 79 HB1 ASP 79 -11.665 -5.695 1.465 631 H THR 80 HN THR 80 -13.507 -4.275 4.619 632 HA THR 80 HA THR 80 -14.186 -6.312 6.596 633 HB THR 80 HB THR 80 -11.869 -5.445 6.910 634 HG1 THR 80 HG1 THR 80 -13.509 -4.536 9.080 635 1HG2 THR 80 HG21 THR 80 -11.511 -3.142 7.706 636 2HG2 THR 80 HG22 THR 80 -13.214 -2.787 7.421 637 3HG2 THR 80 HG23 THR 80 -12.156 -3.175 6.065 638 H GLU 81 HN GLU 81 -15.054 -3.320 5.081 639 HA GLU 81 HA GLU 81 -17.470 -3.380 6.605 640 1HB GLU 81 HB2 GLU 81 -17.444 -0.973 7.066 641 2HB GLU 81 HB1 GLU 81 -16.119 -1.792 7.870 642 1HG GLU 81 HG2 GLU 81 -14.563 -0.961 6.212 643 2HG GLU 81 HG1 GLU 81 -15.888 -0.209 5.321 644 H LEU 82 HN LEU 82 -19.205 -2.613 5.461 645 HA LEU 82 HA LEU 82 -18.673 -2.305 2.612 646 1HB LEU 82 HB2 LEU 82 -20.217 -4.106 3.259 647 2HB LEU 82 HB1 LEU 82 -21.246 -2.947 4.070 648 HG LEU 82 HG LEU 82 -21.733 -1.889 1.878 649 1HD1 LEU 82 HD11 LEU 82 -21.154 -3.068 -0.180 650 2HD1 LEU 82 HD12 LEU 82 -20.186 -4.211 0.751 651 3HD1 LEU 82 HD13 LEU 82 -19.718 -2.513 0.681 652 1HD2 LEU 82 HD21 LEU 82 -23.187 -3.670 1.049 653 2HD2 LEU 82 HD22 LEU 82 -23.242 -3.557 2.809 654 3HD2 LEU 82 HD23 LEU 82 -22.314 -4.843 2.033 655 H ALA 83 HN ALA 83 -17.991 -0.180 2.795 656 HA ALA 83 HA ALA 83 -20.169 1.743 3.165 657 1HB ALA 83 HB1 ALA 83 -18.434 2.031 4.884 658 2HB ALA 83 HB2 ALA 83 -18.463 3.407 3.780 659 3HB ALA 83 HB3 ALA 83 -17.210 2.180 3.620 660 H ALA 84 HN ALA 84 -20.825 1.705 1.083 661 HA ALA 84 HA ALA 84 -19.132 3.108 -0.794 662 1HB ALA 84 HB1 ALA 84 -20.209 0.366 -1.437 663 2HB ALA 84 HB2 ALA 84 -18.512 0.774 -1.168 664 3HB ALA 84 HB3 ALA 84 -19.371 1.444 -2.555 665 HA PRO 85 HA PRO 85 -23.377 4.428 -1.582 666 1HB PRO 85 HB2 PRO 85 -22.176 6.770 -2.818 667 2HB PRO 85 HB1 PRO 85 -23.136 6.691 -1.337 668 1HG PRO 85 HG2 PRO 85 -20.469 7.276 -1.373 669 2HG PRO 85 HG1 PRO 85 -21.288 6.514 0.003 670 1HD PRO 85 HD2 PRO 85 -19.620 5.258 -2.143 671 2HD PRO 85 HD1 PRO 85 -19.653 4.918 -0.398 672 H LYS 86 HN LYS 86 -23.116 2.633 -3.040 673 HA LYS 86 HA LYS 86 -22.248 3.172 -5.759 674 1HB LYS 86 HB2 LYS 86 -22.626 0.756 -6.071 675 2HB LYS 86 HB1 LYS 86 -21.551 1.104 -4.726 676 1HG LYS 86 HG2 LYS 86 -23.570 0.839 -3.220 677 2HG LYS 86 HG1 LYS 86 -24.415 0.197 -4.627 678 1HD LYS 86 HD2 LYS 86 -21.894 -0.911 -3.390 679 2HD LYS 86 HD1 LYS 86 -23.507 -1.609 -3.268 680 1HE LYS 86 HE2 LYS 86 -23.524 -1.965 -5.693 681 2HE LYS 86 HE1 LYS 86 -21.914 -1.256 -5.808 682 1HZ LYS 86 HZ1 LYS 86 -22.641 -3.719 -4.322 683 2HZ LYS 86 HZ2 LYS 86 -21.092 -3.067 -4.369 684 3HZ LYS 86 HZ3 LYS 86 -21.796 -3.662 -5.781 685 H SER 87 HN SER 87 -24.976 3.592 -4.031 686 HA SER 87 HA SER 87 -26.812 3.041 -6.221 687 1HB SER 87 HB2 SER 87 -27.366 3.959 -3.394 688 2HB SER 87 HB1 SER 87 -28.526 3.303 -4.552 689 HG SER 87 HG SER 87 -27.454 1.326 -4.461 690 H LYS 88 HN LYS 88 -26.685 4.736 -7.624 691 HA LYS 88 HA LYS 88 -26.848 7.431 -6.471 692 1HB LYS 88 HB2 LYS 88 -25.452 6.574 -9.009 693 2HB LYS 88 HB1 LYS 88 -25.645 8.237 -8.477 694 1HG LYS 88 HG2 LYS 88 -24.293 7.775 -6.505 695 2HG LYS 88 HG1 LYS 88 -24.123 6.093 -7.008 696 1HD LYS 88 HD2 LYS 88 -23.014 6.854 -9.075 697 2HD LYS 88 HD1 LYS 88 -23.146 8.520 -8.505 698 1HE LYS 88 HE2 LYS 88 -21.764 7.998 -6.580 699 2HE LYS 88 HE1 LYS 88 -21.684 6.309 -7.075 700 1HZ LYS 88 HZ1 LYS 88 -20.558 8.615 -8.597 701 2HZ LYS 88 HZ2 LYS 88 -20.572 7.028 -9.113 702 3HZ LYS 88 HZ3 LYS 88 -19.669 7.437 -7.756 703 H ASN 89 HN ASN 89 -27.524 5.536 -9.404 704 HA ASN 89 HA ASN 89 -29.986 7.106 -9.712 705 1HB ASN 89 HB2 ASN 89 -28.139 6.282 -11.983 706 2HB ASN 89 HB1 ASN 89 -29.690 7.078 -12.165 707 1HD2 ASN 89 HD21 ASN 89 -29.154 8.930 -9.920 708 2HD2 ASN 89 HD22 ASN 89 -27.985 10.054 -10.490 Start of MODEL 11 1 1H GLY 1 HT1 GLY 1 -14.055 10.178 14.695 2 2H GLY 1 HT2 GLY 1 -12.983 9.446 15.768 3 3H GLY 1 HT3 GLY 1 -13.881 8.504 14.670 4 1HA GLY 1 HA1 GLY 1 -12.758 9.493 12.808 5 2HA GLY 1 HA2 GLY 1 -11.851 10.521 13.911 6 H ASP 2 HN ASP 2 -12.664 7.015 13.922 7 HA ASP 2 HA ASP 2 -10.012 6.228 13.442 8 1HB ASP 2 HB2 ASP 2 -9.509 5.221 15.594 9 2HB ASP 2 HB1 ASP 2 -9.796 6.938 15.833 10 H GLY 3 HN GLY 3 -9.891 3.959 13.388 11 1HA GLY 3 HA2 GLY 3 -11.219 1.850 13.746 12 2HA GLY 3 HA1 GLY 3 -12.512 2.714 12.902 13 H GLU 4 HN GLU 4 -12.421 3.002 10.781 14 HA GLU 4 HA GLU 4 -10.070 1.922 9.420 15 1HB GLU 4 HB2 GLU 4 -12.174 0.632 9.039 16 2HB GLU 4 HB1 GLU 4 -12.894 2.080 8.349 17 1HG GLU 4 HG2 GLU 4 -12.126 0.615 6.598 18 2HG GLU 4 HG1 GLU 4 -11.168 2.094 6.613 19 H ALA 5 HN ALA 5 -8.902 3.722 9.174 20 HA ALA 5 HA ALA 5 -9.711 5.684 7.270 21 1HB ALA 5 HB1 ALA 5 -9.475 7.638 8.752 22 2HB ALA 5 HB2 ALA 5 -9.292 6.565 10.139 23 3HB ALA 5 HB3 ALA 5 -10.822 6.619 9.265 24 H GLN 6 HN GLN 6 -7.906 6.008 6.168 25 HA GLN 6 HA GLN 6 -5.337 6.149 7.570 26 1HB GLN 6 HB2 GLN 6 -5.895 4.318 5.242 27 2HB GLN 6 HB1 GLN 6 -4.290 4.744 5.797 28 1HG GLN 6 HG2 GLN 6 -4.735 3.678 7.930 29 2HG GLN 6 HG1 GLN 6 -6.368 3.270 7.390 30 1HE2 GLN 6 HE21 GLN 6 -4.192 1.525 8.192 31 2HE2 GLN 6 HE22 GLN 6 -3.883 0.497 6.854 32 H ARG 7 HN ARG 7 -3.679 7.051 6.256 33 HA ARG 7 HA ARG 7 -4.593 9.112 4.526 34 1HB ARG 7 HB2 ARG 7 -2.124 9.569 4.138 35 2HB ARG 7 HB1 ARG 7 -2.646 9.643 5.811 36 1HG ARG 7 HG2 ARG 7 -1.722 7.390 6.174 37 2HG ARG 7 HG1 ARG 7 -1.184 7.367 4.495 38 1HD ARG 7 HD2 ARG 7 0.331 9.170 4.882 39 2HD ARG 7 HD1 ARG 7 -0.326 9.456 6.494 40 HE ARG 7 HE ARG 7 0.546 6.845 6.479 41 1HH1 ARG 7 HH11 ARG 7 2.142 9.999 5.981 42 2HH1 ARG 7 HH12 ARG 7 3.574 9.507 6.757 43 1HH2 ARG 7 HH21 ARG 7 2.527 6.204 7.432 44 2HH2 ARG 7 HH22 ARG 7 3.834 7.272 7.529 45 H ASP 8 HN ASP 8 -2.462 6.308 3.871 46 HA ASP 8 HA ASP 8 -3.680 5.096 1.813 47 1HB ASP 8 HB2 ASP 8 -3.483 7.298 0.546 48 2HB ASP 8 HB1 ASP 8 -1.735 7.122 0.712 49 H LEU 9 HN LEU 9 -1.926 3.828 0.471 50 HA LEU 9 HA LEU 9 0.095 3.116 2.402 51 1HB LEU 9 HB2 LEU 9 -0.620 1.774 -0.194 52 2HB LEU 9 HB1 LEU 9 0.535 1.176 0.971 53 HG LEU 9 HG LEU 9 -2.444 1.316 1.210 54 1HD1 LEU 9 HD11 LEU 9 -1.529 -0.618 0.096 55 2HD1 LEU 9 HD12 LEU 9 -2.205 -1.063 1.665 56 3HD1 LEU 9 HD13 LEU 9 -0.458 -0.923 1.466 57 1HD2 LEU 9 HD21 LEU 9 -0.465 0.742 3.398 58 2HD2 LEU 9 HD22 LEU 9 -2.214 0.529 3.503 59 3HD2 LEU 9 HD23 LEU 9 -1.532 2.143 3.298 60 H VAL 10 HN VAL 10 -0.135 4.604 -0.802 61 HA VAL 10 HA VAL 10 2.727 4.454 -1.172 62 HB VAL 10 HB VAL 10 0.552 5.885 -2.738 63 1HG1 VAL 10 HG11 VAL 10 2.617 7.253 -2.823 64 2HG1 VAL 10 HG12 VAL 10 2.277 6.493 -4.378 65 3HG1 VAL 10 HG13 VAL 10 3.526 5.827 -3.325 66 1HG2 VAL 10 HG21 VAL 10 1.252 4.333 -4.470 67 2HG2 VAL 10 HG22 VAL 10 0.668 3.525 -3.007 68 3HG2 VAL 10 HG23 VAL 10 2.401 3.611 -3.342 69 H LYS 11 HN LYS 11 0.384 6.679 -0.040 70 HA LYS 11 HA LYS 11 2.258 8.799 0.256 71 1HB LYS 11 HB2 LYS 11 -0.538 8.448 1.370 72 2HB LYS 11 HB1 LYS 11 0.446 9.859 1.712 73 1HG LYS 11 HG2 LYS 11 -1.081 10.437 -0.054 74 2HG LYS 11 HG1 LYS 11 0.524 10.322 -0.756 75 1HD LYS 11 HD2 LYS 11 -0.044 8.059 -1.604 76 2HD LYS 11 HD1 LYS 11 -1.655 8.229 -0.913 77 1HE LYS 11 HE2 LYS 11 -2.049 10.173 -2.353 78 2HE LYS 11 HE1 LYS 11 -0.464 9.931 -3.082 79 1HZ LYS 11 HZ1 LYS 11 -2.799 8.091 -3.214 80 2HZ LYS 11 HZ2 LYS 11 -1.276 7.649 -3.738 81 3HZ LYS 11 HZ3 LYS 11 -2.079 8.899 -4.499 82 H ALA 12 HN ALA 12 2.182 5.986 1.722 83 HA ALA 12 HA ALA 12 3.370 6.965 4.221 84 1HB ALA 12 HB1 ALA 12 2.085 4.284 3.649 85 2HB ALA 12 HB2 ALA 12 1.375 5.587 4.606 86 3HB ALA 12 HB3 ALA 12 2.825 4.765 5.177 87 H VAL 13 HN VAL 13 3.489 4.135 2.023 88 HA VAL 13 HA VAL 13 6.086 3.328 2.725 89 HB VAL 13 HB VAL 13 4.409 2.641 0.293 90 1HG1 VAL 13 HG11 VAL 13 6.753 2.253 -0.218 91 2HG1 VAL 13 HG12 VAL 13 5.901 0.717 -0.028 92 3HG1 VAL 13 HG13 VAL 13 6.948 1.314 1.264 93 1HG2 VAL 13 HG21 VAL 13 3.432 1.947 2.406 94 2HG2 VAL 13 HG22 VAL 13 4.936 1.151 2.867 95 3HG2 VAL 13 HG23 VAL 13 3.995 0.540 1.505 96 H ALA 14 HN ALA 14 4.948 5.207 -0.102 97 HA ALA 14 HA ALA 14 7.562 5.360 -1.196 98 1HB ALA 14 HB1 ALA 14 6.665 7.080 -2.736 99 2HB ALA 14 HB2 ALA 14 5.191 7.185 -1.760 100 3HB ALA 14 HB3 ALA 14 5.556 5.708 -2.626 101 H HIS 15 HN HIS 15 5.724 7.218 1.069 102 HA HIS 15 HA HIS 15 7.425 9.471 1.172 103 1HB HIS 15 HB2 HIS 15 5.119 9.438 2.145 104 2HB HIS 15 HB1 HIS 15 5.701 8.373 3.417 105 HD1 HIS 15 HD1 HIS 15 6.503 9.519 5.494 106 HD2 HIS 15 HD2 HIS 15 6.491 12.062 2.204 107 HE1 HIS 15 HE1 HIS 15 7.097 11.774 6.380 108 HE2 HIS 15 HE2 HIS 15 7.081 13.309 4.394 109 H ILE 16 HN ILE 16 7.473 6.378 2.815 110 HA ILE 16 HA ILE 16 9.644 6.748 4.546 111 HB ILE 16 HB ILE 16 8.622 4.310 3.083 112 1HG1 ILE 16 HG12 ILE 16 7.118 5.191 4.781 113 2HG1 ILE 16 HG11 ILE 16 7.753 3.630 5.279 114 1HG2 ILE 16 HG21 ILE 16 10.788 4.308 5.168 115 2HG2 ILE 16 HG22 ILE 16 10.952 3.867 3.467 116 3HG2 ILE 16 HG23 ILE 16 9.967 2.877 4.544 117 1HD1 ILE 16 HD11 ILE 16 9.335 4.760 6.764 118 2HD1 ILE 16 HD12 ILE 16 7.665 5.184 7.139 119 3HD1 ILE 16 HD13 ILE 16 8.688 6.320 6.257 120 H LEU 17 HN LEU 17 9.512 5.843 1.155 121 HA LEU 17 HA LEU 17 12.337 5.440 0.883 122 1HB LEU 17 HB2 LEU 17 10.241 5.813 -1.250 123 2HB LEU 17 HB1 LEU 17 11.875 5.245 -1.514 124 HG LEU 17 HG LEU 17 9.731 3.815 0.039 125 1HD1 LEU 17 HD11 LEU 17 9.819 2.191 -1.790 126 2HD1 LEU 17 HD12 LEU 17 10.972 3.217 -2.640 127 3HD1 LEU 17 HD13 LEU 17 9.330 3.788 -2.354 128 1HD2 LEU 17 HD21 LEU 17 11.328 1.957 0.139 129 2HD2 LEU 17 HD22 LEU 17 11.940 3.386 0.972 130 3HD2 LEU 17 HD23 LEU 17 12.549 2.972 -0.631 131 H GLY 18 HN GLY 18 10.347 8.174 0.875 132 1HA GLY 18 HA2 GLY 18 11.241 10.388 0.925 133 2HA GLY 18 HA1 GLY 18 12.624 9.814 -0.002 134 H ILE 19 HN ILE 19 9.508 8.805 -0.969 135 HA ILE 19 HA ILE 19 9.465 10.786 -3.087 136 HB ILE 19 HB ILE 19 8.356 8.852 -4.407 137 1HG1 ILE 19 HG12 ILE 19 10.156 7.279 -2.556 138 2HG1 ILE 19 HG11 ILE 19 8.407 7.174 -2.657 139 1HG2 ILE 19 HG21 ILE 19 11.342 9.073 -4.066 140 2HG2 ILE 19 HG22 ILE 19 10.317 10.022 -5.156 141 3HG2 ILE 19 HG23 ILE 19 10.536 8.292 -5.429 142 1HD1 ILE 19 HD11 ILE 19 8.595 6.279 -4.926 143 2HD1 ILE 19 HD12 ILE 19 9.467 5.290 -3.756 144 3HD1 ILE 19 HD13 ILE 19 10.351 6.386 -4.817 145 H ARG 20 HN ARG 20 7.357 10.654 -4.216 146 HA ARG 20 HA ARG 20 5.030 9.606 -3.015 147 1HB ARG 20 HB2 ARG 20 5.438 11.487 -1.397 148 2HB ARG 20 HB1 ARG 20 5.315 12.615 -2.745 149 1HG ARG 20 HG2 ARG 20 3.022 11.526 -3.168 150 2HG ARG 20 HG1 ARG 20 3.206 10.874 -1.556 151 1HD ARG 20 HD2 ARG 20 3.388 13.820 -2.159 152 2HD ARG 20 HD1 ARG 20 1.940 13.018 -1.563 153 HE ARG 20 HE ARG 20 3.435 12.366 0.395 154 1HH1 ARG 20 HH11 ARG 20 3.998 15.350 -1.438 155 2HH1 ARG 20 HH12 ARG 20 4.401 16.285 -0.072 156 1HH2 ARG 20 HH21 ARG 20 4.038 13.642 2.299 157 2HH2 ARG 20 HH22 ARG 20 4.503 15.254 2.102 158 H ASP 21 HN ASP 21 6.631 11.923 -5.035 159 HA ASP 21 HA ASP 21 4.421 12.554 -6.700 160 1HB ASP 21 HB2 ASP 21 7.334 12.773 -7.470 161 2HB ASP 21 HB1 ASP 21 5.985 13.699 -8.112 162 H LEU 22 HN LEU 22 7.367 10.769 -7.490 163 HA LEU 22 HA LEU 22 7.717 8.874 -8.703 164 1HB LEU 22 HB2 LEU 22 4.792 8.519 -8.140 165 2HB LEU 22 HB1 LEU 22 5.633 7.409 -9.193 166 HG LEU 22 HG LEU 22 5.344 6.540 -6.990 167 1HD1 LEU 22 HD11 LEU 22 7.301 5.838 -8.243 168 2HD1 LEU 22 HD12 LEU 22 7.668 5.887 -6.518 169 3HD1 LEU 22 HD13 LEU 22 8.225 7.181 -7.577 170 1HD2 LEU 22 HD21 LEU 22 7.038 8.817 -6.009 171 2HD2 LEU 22 HD22 LEU 22 6.555 7.417 -5.049 172 3HD2 LEU 22 HD23 LEU 22 5.336 8.536 -5.653 173 H ALA 23 HN ALA 23 6.931 11.464 -9.918 174 HA ALA 23 HA ALA 23 5.536 10.737 -12.327 175 1HB ALA 23 HB1 ALA 23 6.960 13.306 -11.633 176 2HB ALA 23 HB2 ALA 23 5.244 12.981 -11.374 177 3HB ALA 23 HB3 ALA 23 5.890 13.062 -13.013 178 H GLY 24 HN GLY 24 8.616 10.832 -11.185 179 1HA GLY 24 HA2 GLY 24 9.663 9.767 -13.675 180 2HA GLY 24 HA1 GLY 24 10.440 11.242 -13.084 181 H ILE 25 HN ILE 25 9.208 8.319 -11.557 182 HA ILE 25 HA ILE 25 11.855 7.864 -10.377 183 HB ILE 25 HB ILE 25 9.174 7.451 -8.981 184 1HG1 ILE 25 HG12 ILE 25 9.742 9.869 -9.173 185 2HG1 ILE 25 HG11 ILE 25 9.674 9.307 -7.510 186 1HG2 ILE 25 HG21 ILE 25 10.489 7.014 -6.942 187 2HG2 ILE 25 HG22 ILE 25 11.974 7.161 -7.884 188 3HG2 ILE 25 HG23 ILE 25 10.841 5.853 -8.224 189 1HD1 ILE 25 HD11 ILE 25 12.179 9.780 -9.117 190 2HD1 ILE 25 HD12 ILE 25 12.088 9.233 -7.433 191 3HD1 ILE 25 HD13 ILE 25 11.508 10.838 -7.865 192 H ASN 26 HN ASN 26 12.142 5.554 -9.933 193 HA ASN 26 HA ASN 26 11.200 3.852 -11.978 194 1HB ASN 26 HB2 ASN 26 12.713 3.352 -9.437 195 2HB ASN 26 HB1 ASN 26 12.173 2.016 -10.440 196 1HD2 ASN 26 HD21 ASN 26 13.233 1.578 -12.305 197 2HD2 ASN 26 HD22 ASN 26 14.690 2.370 -12.779 198 H LEU 27 HN LEU 27 8.987 3.743 -12.013 199 HA LEU 27 HA LEU 27 7.462 2.911 -9.733 200 1HB LEU 27 HB2 LEU 27 6.759 3.151 -12.649 201 2HB LEU 27 HB1 LEU 27 5.623 2.601 -11.438 202 HG LEU 27 HG LEU 27 6.904 5.336 -11.523 203 1HD1 LEU 27 HD11 LEU 27 4.658 6.093 -12.085 204 2HD1 LEU 27 HD12 LEU 27 4.077 4.436 -12.062 205 3HD1 LEU 27 HD13 LEU 27 5.232 4.947 -13.301 206 1HD2 LEU 27 HD21 LEU 27 6.447 4.560 -9.255 207 2HD2 LEU 27 HD22 LEU 27 4.788 4.178 -9.720 208 3HD2 LEU 27 HD23 LEU 27 5.343 5.850 -9.727 209 H ASP 28 HN ASP 28 9.119 1.368 -12.291 210 HA ASP 28 HA ASP 28 7.644 -1.112 -11.953 211 1HB ASP 28 HB2 ASP 28 9.724 -0.279 -13.959 212 2HB ASP 28 HB1 ASP 28 9.137 -1.933 -13.835 213 H SER 29 HN SER 29 9.726 0.061 -10.007 214 HA SER 29 HA SER 29 11.462 -2.256 -9.942 215 1HB SER 29 HB2 SER 29 11.535 0.319 -8.361 216 2HB SER 29 HB1 SER 29 12.695 -1.004 -8.230 217 HG SER 29 HG SER 29 12.254 -0.112 -10.808 218 H SER 30 HN SER 30 11.121 -3.775 -8.595 219 HA SER 30 HA SER 30 8.801 -3.708 -6.874 220 1HB SER 30 HB2 SER 30 10.824 -5.774 -7.634 221 2HB SER 30 HB1 SER 30 9.476 -6.149 -6.588 222 HG SER 30 HG SER 30 9.004 -4.833 -9.001 223 H LEU 31 HN LEU 31 8.978 -4.134 -4.575 224 HA LEU 31 HA LEU 31 11.270 -3.015 -3.361 225 1HB LEU 31 HB2 LEU 31 9.053 -4.610 -2.042 226 2HB LEU 31 HB1 LEU 31 10.432 -3.963 -1.184 227 HG LEU 31 HG LEU 31 9.696 -1.668 -1.804 228 1HD1 LEU 31 HD11 LEU 31 8.366 -2.176 -3.746 229 2HD1 LEU 31 HD12 LEU 31 7.405 -1.332 -2.527 230 3HD1 LEU 31 HD13 LEU 31 7.230 -3.076 -2.747 231 1HD2 LEU 31 HD21 LEU 31 9.210 -2.616 0.373 232 2HD2 LEU 31 HD22 LEU 31 7.730 -3.340 -0.258 233 3HD2 LEU 31 HD23 LEU 31 7.886 -1.586 -0.170 234 H ALA 32 HN ALA 32 10.796 -6.075 -4.566 235 HA ALA 32 HA ALA 32 12.633 -7.381 -2.934 236 1HB ALA 32 HB1 ALA 32 12.748 -9.126 -4.686 237 2HB ALA 32 HB2 ALA 32 11.889 -8.050 -5.790 238 3HB ALA 32 HB3 ALA 32 11.083 -8.657 -4.342 239 H ASP 33 HN ASP 33 12.880 -5.313 -5.668 240 HA ASP 33 HA ASP 33 15.565 -5.908 -6.288 241 1HB ASP 33 HB2 ASP 33 14.348 -4.975 -8.083 242 2HB ASP 33 HB1 ASP 33 13.700 -3.683 -7.080 243 H LEU 34 HN LEU 34 13.793 -3.550 -4.526 244 HA LEU 34 HA LEU 34 15.828 -1.783 -3.719 245 1HB LEU 34 HB2 LEU 34 13.329 -2.456 -2.199 246 2HB LEU 34 HB1 LEU 34 14.210 -0.942 -2.196 247 HG LEU 34 HG LEU 34 12.703 -2.055 -4.557 248 1HD1 LEU 34 HD11 LEU 34 11.931 0.159 -2.684 249 2HD1 LEU 34 HD12 LEU 34 11.273 -1.480 -2.741 250 3HD1 LEU 34 HD13 LEU 34 11.049 -0.398 -4.126 251 1HD2 LEU 34 HD21 LEU 34 12.985 0.144 -5.518 252 2HD2 LEU 34 HD22 LEU 34 14.545 -0.628 -5.213 253 3HD2 LEU 34 HD23 LEU 34 13.961 0.647 -4.132 254 H GLY 35 HN GLY 35 14.390 -4.648 -2.222 255 1HA GLY 35 HA2 GLY 35 15.576 -6.199 -0.898 256 2HA GLY 35 HA1 GLY 35 16.764 -4.949 -0.539 257 H LEU 36 HN LEU 36 13.603 -6.189 0.237 258 HA LEU 36 HA LEU 36 13.453 -4.240 2.413 259 1HB LEU 36 HB2 LEU 36 11.123 -4.505 2.491 260 2HB LEU 36 HB1 LEU 36 11.525 -4.414 0.797 261 HG LEU 36 HG LEU 36 11.406 -7.067 0.978 262 1HD1 LEU 36 HD11 LEU 36 9.624 -7.766 2.482 263 2HD1 LEU 36 HD12 LEU 36 9.560 -6.123 3.129 264 3HD1 LEU 36 HD13 LEU 36 11.005 -7.110 3.390 265 1HD2 LEU 36 HD21 LEU 36 10.080 -5.800 -0.475 266 2HD2 LEU 36 HD22 LEU 36 9.129 -5.184 0.885 267 3HD2 LEU 36 HD23 LEU 36 9.015 -6.896 0.428 268 H ASP 37 HN ASP 37 13.233 -4.822 4.437 269 HA ASP 37 HA ASP 37 12.539 -7.147 5.711 270 1HB ASP 37 HB2 ASP 37 14.527 -8.257 4.658 271 2HB ASP 37 HB1 ASP 37 15.568 -7.027 5.366 272 H SER 38 HN SER 38 14.448 -4.377 5.402 273 HA SER 38 HA SER 38 15.065 -4.062 8.160 274 1HB SER 38 HB2 SER 38 15.803 -1.751 7.294 275 2HB SER 38 HB1 SER 38 16.644 -3.185 6.697 276 HG SER 38 HG SER 38 15.841 -2.919 4.792 277 H LEU 39 HN LEU 39 13.564 -1.438 6.341 278 HA LEU 39 HA LEU 39 11.690 -1.148 8.587 279 1HB LEU 39 HB2 LEU 39 13.118 0.786 8.174 280 2HB LEU 39 HB1 LEU 39 12.547 0.865 6.517 281 HG LEU 39 HG LEU 39 10.234 1.209 7.464 282 1HD1 LEU 39 HD11 LEU 39 10.064 2.109 9.720 283 2HD1 LEU 39 HD12 LEU 39 11.765 1.729 9.992 284 3HD1 LEU 39 HD13 LEU 39 10.606 0.431 9.706 285 1HD2 LEU 39 HD21 LEU 39 12.342 3.300 7.958 286 2HD2 LEU 39 HD22 LEU 39 10.597 3.590 7.821 287 3HD2 LEU 39 HD23 LEU 39 11.500 2.953 6.445 288 H MET 40 HN MET 40 11.931 -0.987 5.094 289 HA MET 40 HA MET 40 9.323 -0.578 4.369 290 1HB MET 40 HB2 MET 40 11.420 -2.266 3.036 291 2HB MET 40 HB1 MET 40 9.844 -1.960 2.329 292 1HG MET 40 HG2 MET 40 10.267 0.394 2.318 293 2HG MET 40 HG1 MET 40 11.838 0.148 3.093 294 1HE MET 40 HE1 MET 40 12.930 -2.436 1.588 295 2HE MET 40 HE2 MET 40 13.910 -1.002 1.880 296 3HE MET 40 HE3 MET 40 13.833 -1.703 0.263 297 H GLY 41 HN GLY 41 10.774 -3.695 5.163 298 1HA GLY 41 HA2 GLY 41 8.428 -5.204 4.527 299 2HA GLY 41 HA1 GLY 41 9.821 -5.788 5.422 300 H VAL 42 HN VAL 42 9.120 -3.203 7.107 301 HA VAL 42 HA VAL 42 7.380 -4.658 8.940 302 HB VAL 42 HB VAL 42 9.201 -2.284 9.423 303 1HG1 VAL 42 HG11 VAL 42 8.766 -2.618 11.805 304 2HG1 VAL 42 HG12 VAL 42 7.569 -3.856 11.401 305 3HG1 VAL 42 HG13 VAL 42 7.320 -2.180 10.899 306 1HG2 VAL 42 HG21 VAL 42 10.463 -4.280 9.041 307 2HG2 VAL 42 HG22 VAL 42 9.495 -5.158 10.237 308 3HG2 VAL 42 HG23 VAL 42 10.554 -3.839 10.748 309 H GLU 43 HN GLU 43 7.915 -1.438 7.634 310 HA GLU 43 HA GLU 43 5.692 -0.187 8.718 311 1HB GLU 43 HB2 GLU 43 7.640 0.868 7.558 312 2HB GLU 43 HB1 GLU 43 6.926 0.367 6.032 313 1HG GLU 43 HG2 GLU 43 6.492 2.668 6.580 314 2HG GLU 43 HG1 GLU 43 4.986 1.746 6.443 315 H VAL 44 HN VAL 44 6.056 -2.005 5.734 316 HA VAL 44 HA VAL 44 3.441 -1.511 4.699 317 HB VAL 44 HB VAL 44 5.292 -3.858 4.203 318 1HG1 VAL 44 HG11 VAL 44 2.873 -2.958 2.670 319 2HG1 VAL 44 HG12 VAL 44 3.058 -4.418 3.658 320 3HG1 VAL 44 HG13 VAL 44 4.007 -4.235 2.176 321 1HG2 VAL 44 HG21 VAL 44 6.294 -1.783 3.584 322 2HG2 VAL 44 HG22 VAL 44 4.884 -1.331 2.609 323 3HG2 VAL 44 HG23 VAL 44 5.893 -2.723 2.154 324 H ARG 45 HN ARG 45 4.881 -4.059 6.568 325 HA ARG 45 HA ARG 45 2.785 -5.914 6.546 326 1HB ARG 45 HB2 ARG 45 5.276 -6.091 7.213 327 2HB ARG 45 HB1 ARG 45 4.715 -5.622 8.811 328 1HG ARG 45 HG2 ARG 45 3.161 -7.558 8.750 329 2HG ARG 45 HG1 ARG 45 3.927 -8.055 7.239 330 1HD ARG 45 HD2 ARG 45 5.170 -7.858 9.975 331 2HD ARG 45 HD1 ARG 45 4.941 -9.284 8.965 332 HE ARG 45 HE ARG 45 6.641 -7.294 7.770 333 1HH1 ARG 45 HH11 ARG 45 6.531 -10.092 9.994 334 2HH1 ARG 45 HH12 ARG 45 8.150 -10.510 9.804 335 1HH2 ARG 45 HH21 ARG 45 8.987 -7.810 7.644 336 2HH2 ARG 45 HH22 ARG 45 9.591 -9.137 8.502 337 H GLN 46 HN GLN 46 3.703 -3.350 8.791 338 HA GLN 46 HA GLN 46 1.581 -3.979 10.576 339 1HB GLN 46 HB2 GLN 46 3.575 -1.753 10.556 340 2HB GLN 46 HB1 GLN 46 2.320 -1.920 11.780 341 1HG GLN 46 HG2 GLN 46 3.208 -4.192 12.283 342 2HG GLN 46 HG1 GLN 46 4.518 -3.854 11.162 343 1HE2 GLN 46 HE21 GLN 46 5.961 -4.094 12.816 344 2HE2 GLN 46 HE22 GLN 46 6.213 -2.858 14.012 345 H ILE 47 HN ILE 47 1.433 -2.484 7.710 346 HA ILE 47 HA ILE 47 -0.811 -0.864 8.651 347 HB ILE 47 HB ILE 47 0.357 -0.994 5.857 348 1HG1 ILE 47 HG12 ILE 47 0.575 1.171 7.950 349 2HG1 ILE 47 HG11 ILE 47 1.875 0.061 7.497 350 1HG2 ILE 47 HG21 ILE 47 -1.700 0.840 7.105 351 2HG2 ILE 47 HG22 ILE 47 -2.023 -0.431 5.924 352 3HG2 ILE 47 HG23 ILE 47 -1.069 0.980 5.463 353 1HD1 ILE 47 HD11 ILE 47 0.592 2.121 5.703 354 2HD1 ILE 47 HD12 ILE 47 1.889 1.018 5.243 355 3HD1 ILE 47 HD13 ILE 47 2.175 2.251 6.471 356 H LEU 48 HN LEU 48 0.016 -3.325 6.242 357 HA LEU 48 HA LEU 48 -2.719 -3.765 5.652 358 1HB LEU 48 HB2 LEU 48 -0.269 -5.318 4.859 359 2HB LEU 48 HB1 LEU 48 -1.880 -5.846 4.432 360 HG LEU 48 HG LEU 48 -1.041 -4.765 2.538 361 1HD1 LEU 48 HD11 LEU 48 -2.802 -2.801 3.955 362 2HD1 LEU 48 HD12 LEU 48 -3.331 -4.203 3.022 363 3HD1 LEU 48 HD13 LEU 48 -2.514 -2.854 2.216 364 1HD2 LEU 48 HD21 LEU 48 -0.117 -2.484 2.522 365 2HD2 LEU 48 HD22 LEU 48 0.845 -3.575 3.518 366 3HD2 LEU 48 HD23 LEU 48 -0.256 -2.427 4.279 367 H GLU 49 HN GLU 49 -0.366 -5.796 7.396 368 HA GLU 49 HA GLU 49 -2.372 -7.688 8.095 369 1HB GLU 49 HB2 GLU 49 -0.030 -8.345 7.905 370 2HB GLU 49 HB1 GLU 49 0.404 -7.247 9.207 371 1HG GLU 49 HG2 GLU 49 -1.092 -8.581 10.706 372 2HG GLU 49 HG1 GLU 49 -1.253 -9.745 9.391 373 H ARG 50 HN ARG 50 -0.540 -5.325 9.950 374 HA ARG 50 HA ARG 50 -1.848 -5.761 12.380 375 1HB ARG 50 HB2 ARG 50 0.265 -4.712 12.369 376 2HB ARG 50 HB1 ARG 50 -0.302 -3.415 11.340 377 1HG ARG 50 HG2 ARG 50 -1.684 -2.579 13.194 378 2HG ARG 50 HG1 ARG 50 -1.053 -3.875 14.219 379 1HD ARG 50 HD2 ARG 50 1.160 -3.030 14.085 380 2HD ARG 50 HD1 ARG 50 0.730 -1.912 12.795 381 HE ARG 50 HE ARG 50 -0.657 -1.565 15.295 382 1HH1 ARG 50 HH11 ARG 50 2.268 -0.658 13.491 383 2HH1 ARG 50 HH12 ARG 50 2.370 0.916 14.107 384 1HH2 ARG 50 HH21 ARG 50 -0.538 0.635 16.164 385 2HH2 ARG 50 HH22 ARG 50 0.722 1.676 15.675 386 H GLU 51 HN GLU 51 -2.626 -3.321 9.875 387 HA GLU 51 HA GLU 51 -4.757 -2.454 11.644 388 1HB GLU 51 HB2 GLU 51 -3.811 -1.217 9.097 389 2HB GLU 51 HB1 GLU 51 -5.055 -0.547 10.145 390 1HG GLU 51 HG2 GLU 51 -3.385 -0.519 12.015 391 2HG GLU 51 HG1 GLU 51 -2.151 -0.943 10.834 392 H HIS 52 HN HIS 52 -4.510 -3.543 8.264 393 HA HIS 52 HA HIS 52 -7.442 -3.621 8.179 394 1HB HIS 52 HB2 HIS 52 -5.445 -4.174 5.980 395 2HB HIS 52 HB1 HIS 52 -7.177 -4.385 5.814 396 HD1 HIS 52 HD1 HIS 52 -8.627 -2.209 5.590 397 HD2 HIS 52 HD2 HIS 52 -4.523 -1.578 5.806 398 HE1 HIS 52 HE1 HIS 52 -8.258 0.095 4.748 399 HE2 HIS 52 HE2 HIS 52 -5.819 0.532 5.069 400 H ASP 53 HN ASP 53 -5.055 -5.719 9.063 401 HA ASP 53 HA ASP 53 -5.008 -7.833 9.710 402 1HB ASP 53 HB2 ASP 53 -7.946 -7.889 9.042 403 2HB ASP 53 HB1 ASP 53 -7.088 -9.309 9.623 404 H LEU 54 HN LEU 54 -4.837 -6.944 6.798 405 HA LEU 54 HA LEU 54 -5.103 -9.471 5.423 406 1HB LEU 54 HB2 LEU 54 -3.890 -6.839 4.585 407 2HB LEU 54 HB1 LEU 54 -3.675 -8.281 3.631 408 HG LEU 54 HG LEU 54 -6.156 -8.387 3.362 409 1HD1 LEU 54 HD11 LEU 54 -7.440 -6.335 3.798 410 2HD1 LEU 54 HD12 LEU 54 -6.022 -5.653 4.608 411 3HD1 LEU 54 HD13 LEU 54 -6.823 -7.062 5.284 412 1HD2 LEU 54 HD21 LEU 54 -4.772 -5.904 2.379 413 2HD2 LEU 54 HD22 LEU 54 -6.242 -6.600 1.699 414 3HD2 LEU 54 HD23 LEU 54 -4.725 -7.500 1.629 415 H VAL 55 HN VAL 55 -3.840 -10.957 6.280 416 HA VAL 55 HA VAL 55 -1.166 -10.371 7.105 417 HB VAL 55 HB VAL 55 -2.399 -13.106 6.630 418 1HG1 VAL 55 HG11 VAL 55 0.099 -12.329 8.153 419 2HG1 VAL 55 HG12 VAL 55 0.043 -13.190 6.619 420 3HG1 VAL 55 HG13 VAL 55 -0.588 -13.951 8.077 421 1HG2 VAL 55 HG21 VAL 55 -3.634 -11.864 8.331 422 2HG2 VAL 55 HG22 VAL 55 -2.132 -11.530 9.193 423 3HG2 VAL 55 HG23 VAL 55 -2.724 -13.185 9.062 424 H LEU 56 HN LEU 56 -0.349 -9.428 5.324 425 HA LEU 56 HA LEU 56 0.146 -11.144 3.025 426 1HB LEU 56 HB2 LEU 56 0.774 -8.219 3.398 427 2HB LEU 56 HB1 LEU 56 0.941 -9.122 1.913 428 HG LEU 56 HG LEU 56 -1.649 -8.392 3.285 429 1HD1 LEU 56 HD11 LEU 56 -0.603 -6.540 2.135 430 2HD1 LEU 56 HD12 LEU 56 -2.051 -7.070 1.278 431 3HD1 LEU 56 HD13 LEU 56 -0.459 -7.509 0.668 432 1HD2 LEU 56 HD21 LEU 56 -1.818 -10.610 2.254 433 2HD2 LEU 56 HD22 LEU 56 -1.231 -9.949 0.726 434 3HD2 LEU 56 HD23 LEU 56 -2.779 -9.415 1.388 435 HA PRO 57 HA PRO 57 4.035 -11.681 5.125 436 1HB PRO 57 HB2 PRO 57 4.514 -13.812 3.233 437 2HB PRO 57 HB1 PRO 57 4.191 -13.944 4.965 438 1HG PRO 57 HG2 PRO 57 2.461 -14.799 3.030 439 2HG PRO 57 HG1 PRO 57 1.942 -14.258 4.639 440 1HD PRO 57 HD2 PRO 57 1.964 -12.777 2.046 441 2HD PRO 57 HD1 PRO 57 0.714 -12.804 3.318 442 H ILE 58 HN ILE 58 6.294 -11.913 4.260 443 HA ILE 58 HA ILE 58 6.901 -9.999 2.351 444 HB ILE 58 HB ILE 58 8.523 -12.184 3.629 445 1HG1 ILE 58 HG12 ILE 58 9.955 -10.313 4.357 446 2HG1 ILE 58 HG11 ILE 58 8.989 -9.204 3.402 447 1HG2 ILE 58 HG21 ILE 58 9.356 -12.339 1.364 448 2HG2 ILE 58 HG22 ILE 58 10.573 -11.615 2.413 449 3HG2 ILE 58 HG23 ILE 58 9.636 -10.598 1.321 450 1HD1 ILE 58 HD11 ILE 58 7.070 -9.664 4.838 451 2HD1 ILE 58 HD12 ILE 58 8.451 -9.062 5.759 452 3HD1 ILE 58 HD13 ILE 58 8.051 -10.781 5.784 453 H ARG 59 HN ARG 59 5.962 -13.208 2.004 454 HA ARG 59 HA ARG 59 6.878 -13.805 -0.602 455 1HB ARG 59 HB2 ARG 59 4.514 -14.951 0.912 456 2HB ARG 59 HB1 ARG 59 5.045 -15.545 -0.652 457 1HG ARG 59 HG2 ARG 59 5.970 -17.029 0.886 458 2HG ARG 59 HG1 ARG 59 7.302 -15.965 0.458 459 1HD ARG 59 HD2 ARG 59 6.629 -14.630 2.569 460 2HD ARG 59 HD1 ARG 59 5.701 -16.060 3.002 461 HE ARG 59 HE ARG 59 8.483 -16.368 2.280 462 1HH1 ARG 59 HH11 ARG 59 6.007 -16.596 4.849 463 2HH1 ARG 59 HH12 ARG 59 7.147 -17.052 6.049 464 1HH2 ARG 59 HH21 ARG 59 9.978 -17.076 3.997 465 2HH2 ARG 59 HH22 ARG 59 9.343 -17.347 5.565 466 H GLU 60 HN GLU 60 4.406 -11.742 0.494 467 HA GLU 60 HA GLU 60 3.354 -11.465 -2.246 468 1HB GLU 60 HB2 GLU 60 2.205 -10.520 0.394 469 2HB GLU 60 HB1 GLU 60 1.510 -10.164 -1.178 470 1HG GLU 60 HG2 GLU 60 1.772 -12.876 0.100 471 2HG GLU 60 HG1 GLU 60 0.296 -11.930 -0.087 472 H VAL 61 HN VAL 61 4.392 -9.698 0.608 473 HA VAL 61 HA VAL 61 4.277 -7.115 -0.373 474 HB VAL 61 HB VAL 61 6.001 -8.259 1.842 475 1HG1 VAL 61 HG11 VAL 61 6.924 -6.112 1.146 476 2HG1 VAL 61 HG12 VAL 61 6.164 -5.987 2.732 477 3HG1 VAL 61 HG13 VAL 61 5.334 -5.363 1.305 478 1HG2 VAL 61 HG21 VAL 61 3.624 -8.573 2.197 479 2HG2 VAL 61 HG22 VAL 61 3.335 -6.858 1.906 480 3HG2 VAL 61 HG23 VAL 61 4.257 -7.369 3.321 481 H ARG 62 HN ARG 62 6.815 -9.473 -0.824 482 HA ARG 62 HA ARG 62 8.787 -7.500 -1.349 483 1HB ARG 62 HB2 ARG 62 9.119 -9.902 -0.507 484 2HB ARG 62 HB1 ARG 62 8.999 -10.360 -2.200 485 1HG ARG 62 HG2 ARG 62 10.864 -8.916 -2.735 486 2HG ARG 62 HG1 ARG 62 10.976 -8.418 -1.048 487 1HD ARG 62 HD2 ARG 62 11.412 -10.788 -0.449 488 2HD ARG 62 HD1 ARG 62 11.421 -11.182 -2.169 489 HE ARG 62 HE ARG 62 13.259 -9.216 -1.003 490 1HH1 ARG 62 HH11 ARG 62 12.805 -12.234 -2.776 491 2HH1 ARG 62 HH12 ARG 62 14.398 -12.296 -3.375 492 1HH2 ARG 62 HH21 ARG 62 15.442 -9.306 -1.761 493 2HH2 ARG 62 HH22 ARG 62 15.952 -10.573 -2.772 494 H GLN 63 HN GLN 63 6.254 -8.739 -3.289 495 HA GLN 63 HA GLN 63 7.766 -8.053 -5.704 496 1HB GLN 63 HB2 GLN 63 5.149 -9.575 -5.568 497 2HB GLN 63 HB1 GLN 63 6.022 -9.175 -7.031 498 1HG GLN 63 HG2 GLN 63 6.586 -11.396 -6.689 499 2HG GLN 63 HG1 GLN 63 7.959 -10.528 -6.010 500 1HE2 GLN 63 HE21 GLN 63 4.843 -10.838 -4.493 501 2HE2 GLN 63 HE22 GLN 63 5.364 -11.860 -3.201 502 H LEU 64 HN LEU 64 6.066 -6.507 -3.600 503 HA LEU 64 HA LEU 64 4.198 -5.089 -5.199 504 1HB LEU 64 HB2 LEU 64 5.614 -4.264 -2.650 505 2HB LEU 64 HB1 LEU 64 4.229 -3.440 -3.350 506 HG LEU 64 HG LEU 64 4.285 -6.216 -2.180 507 1HD1 LEU 64 HD11 LEU 64 2.970 -3.688 -1.231 508 2HD1 LEU 64 HD12 LEU 64 4.371 -4.480 -0.509 509 3HD1 LEU 64 HD13 LEU 64 2.798 -5.279 -0.491 510 1HD2 LEU 64 HD21 LEU 64 1.865 -6.238 -2.543 511 2HD2 LEU 64 HD22 LEU 64 2.746 -6.122 -4.065 512 3HD2 LEU 64 HD23 LEU 64 1.978 -4.690 -3.379 513 H THR 65 HN THR 65 4.502 -3.064 -6.251 514 HA THR 65 HA THR 65 7.266 -2.536 -6.914 515 HB THR 65 HB THR 65 6.225 -1.104 -8.733 516 HG1 THR 65 HG1 THR 65 4.000 -1.376 -9.082 517 1HG2 THR 65 HG21 THR 65 5.502 -3.024 -10.071 518 2HG2 THR 65 HG22 THR 65 5.321 -3.970 -8.591 519 3HG2 THR 65 HG23 THR 65 6.928 -3.443 -9.100 520 H LEU 66 HN LEU 66 4.678 -0.246 -6.889 521 HA LEU 66 HA LEU 66 5.430 0.970 -4.425 522 1HB LEU 66 HB2 LEU 66 7.200 1.898 -5.958 523 2HB LEU 66 HB1 LEU 66 5.937 2.584 -6.951 524 HG LEU 66 HG LEU 66 7.201 4.154 -5.337 525 1HD1 LEU 66 HD11 LEU 66 5.150 4.790 -6.459 526 2HD1 LEU 66 HD12 LEU 66 5.201 5.434 -4.809 527 3HD1 LEU 66 HD13 LEU 66 4.209 4.018 -5.186 528 1HD2 LEU 66 HD21 LEU 66 7.101 2.659 -3.379 529 2HD2 LEU 66 HD22 LEU 66 5.330 2.857 -3.409 530 3HD2 LEU 66 HD23 LEU 66 6.355 4.243 -3.082 531 H ARG 67 HN ARG 67 3.904 1.913 -7.494 532 HA ARG 67 HA ARG 67 1.763 3.085 -6.011 533 1HB ARG 67 HB2 ARG 67 2.115 2.720 -8.986 534 2HB ARG 67 HB1 ARG 67 0.695 3.468 -8.276 535 1HG ARG 67 HG2 ARG 67 3.539 4.486 -8.077 536 2HG ARG 67 HG1 ARG 67 2.256 5.162 -9.079 537 1HD ARG 67 HD2 ARG 67 0.969 5.533 -6.880 538 2HD ARG 67 HD1 ARG 67 2.501 5.154 -6.079 539 HE ARG 67 HE ARG 67 3.446 7.105 -7.318 540 1HH1 ARG 67 HH11 ARG 67 -0.016 7.039 -6.474 541 2HH1 ARG 67 HH12 ARG 67 -0.218 8.702 -6.681 542 1HH2 ARG 67 HH21 ARG 67 3.090 9.496 -7.570 543 2HH2 ARG 67 HH22 ARG 67 1.517 10.059 -7.280 544 H LYS 68 HN LYS 68 2.457 -0.027 -6.745 545 HA LYS 68 HA LYS 68 -0.189 -1.040 -6.993 546 1HB LYS 68 HB2 LYS 68 1.775 -2.465 -7.599 547 2HB LYS 68 HB1 LYS 68 2.304 -2.436 -5.929 548 1HG LYS 68 HG2 LYS 68 0.469 -3.729 -5.198 549 2HG LYS 68 HG1 LYS 68 -0.345 -3.571 -6.752 550 1HD LYS 68 HD2 LYS 68 2.322 -4.902 -6.406 551 2HD LYS 68 HD1 LYS 68 0.790 -5.783 -6.321 552 1HE LYS 68 HE2 LYS 68 1.769 -4.167 -8.685 553 2HE LYS 68 HE1 LYS 68 1.802 -5.924 -8.556 554 1HZ LYS 68 HZ1 LYS 68 -0.108 -5.066 -9.837 555 2HZ LYS 68 HZ2 LYS 68 -0.737 -4.322 -8.462 556 3HZ LYS 68 HZ3 LYS 68 -0.571 -5.993 -8.519 557 H LEU 69 HN LEU 69 1.759 0.113 -4.431 558 HA LEU 69 HA LEU 69 0.397 -1.056 -2.271 559 1HB LEU 69 HB2 LEU 69 2.111 1.386 -2.504 560 2HB LEU 69 HB1 LEU 69 1.219 1.108 -1.027 561 HG LEU 69 HG LEU 69 3.571 0.353 -0.898 562 1HD1 LEU 69 HD11 LEU 69 1.525 -1.851 -0.721 563 2HD1 LEU 69 HD12 LEU 69 1.886 -0.657 0.527 564 3HD1 LEU 69 HD13 LEU 69 3.106 -1.844 0.063 565 1HD2 LEU 69 HD21 LEU 69 4.258 -1.684 -2.094 566 2HD2 LEU 69 HD22 LEU 69 3.859 -0.386 -3.231 567 3HD2 LEU 69 HD23 LEU 69 2.711 -1.691 -2.940 568 H GLN 70 HN GLN 70 -0.196 2.038 -3.885 569 HA GLN 70 HA GLN 70 -2.449 2.607 -2.222 570 1HB GLN 70 HB2 GLN 70 -3.024 4.351 -3.951 571 2HB GLN 70 HB1 GLN 70 -1.421 4.499 -3.248 572 1HG GLN 70 HG2 GLN 70 -0.416 3.589 -5.178 573 2HG GLN 70 HG1 GLN 70 -1.994 3.248 -5.934 574 1HE2 GLN 70 HE21 GLN 70 -1.565 4.529 -7.696 575 2HE2 GLN 70 HE22 GLN 70 -1.518 6.244 -7.626 576 H GLU 71 HN GLU 71 -1.946 0.829 -5.069 577 HA GLU 71 HA GLU 71 -4.611 0.483 -5.961 578 1HB GLU 71 HB2 GLU 71 -2.649 0.062 -7.354 579 2HB GLU 71 HB1 GLU 71 -2.096 -1.171 -6.246 580 1HG GLU 71 HG2 GLU 71 -4.110 -2.506 -6.861 581 2HG GLU 71 HG1 GLU 71 -4.462 -1.286 -8.093 582 H MET 72 HN MET 72 -2.688 -0.915 -3.440 583 HA MET 72 HA MET 72 -4.767 -2.923 -2.851 584 1HB MET 72 HB2 MET 72 -1.885 -2.887 -1.915 585 2HB MET 72 HB1 MET 72 -3.052 -4.171 -1.661 586 1HG MET 72 HG2 MET 72 -3.074 -4.498 -4.167 587 2HG MET 72 HG1 MET 72 -1.785 -3.323 -4.234 588 1HE MET 72 HE1 MET 72 -1.356 -7.373 -2.064 589 2HE MET 72 HE2 MET 72 -2.831 -6.869 -2.888 590 3HE MET 72 HE3 MET 72 -2.306 -6.031 -1.428 591 H SER 73 HN SER 73 -4.532 0.053 -2.092 592 HA SER 73 HA SER 73 -3.691 0.057 0.592 593 1HB SER 73 HB2 SER 73 -4.439 2.393 0.699 594 2HB SER 73 HB1 SER 73 -3.543 2.070 -0.764 595 HG SER 73 HG SER 73 -5.248 2.409 -1.967 596 H SER 74 HN SER 74 -6.816 -0.280 -0.929 597 HA SER 74 HA SER 74 -8.756 -1.197 -0.196 598 1HB SER 74 HB2 SER 74 -7.249 -2.957 0.739 599 2HB SER 74 HB1 SER 74 -7.116 -2.032 2.228 600 HG SER 74 HG SER 74 -9.226 -2.443 2.681 601 H LYS 75 HN LYS 75 -8.199 1.552 0.319 602 HA LYS 75 HA LYS 75 -9.286 2.002 3.001 603 1HB LYS 75 HB2 LYS 75 -8.549 4.163 1.038 604 2HB LYS 75 HB1 LYS 75 -8.745 4.301 2.775 605 1HG LYS 75 HG2 LYS 75 -6.717 2.904 3.058 606 2HG LYS 75 HG1 LYS 75 -6.512 2.924 1.308 607 1HD LYS 75 HD2 LYS 75 -6.440 5.274 3.195 608 2HD LYS 75 HD1 LYS 75 -5.110 4.627 2.240 609 1HE LYS 75 HE2 LYS 75 -7.588 6.000 1.170 610 2HE LYS 75 HE1 LYS 75 -5.975 6.692 1.274 611 1HZ LYS 75 HZ1 LYS 75 -6.757 4.384 -0.468 612 2HZ LYS 75 HZ2 LYS 75 -5.210 5.081 -0.395 613 3HZ LYS 75 HZ3 LYS 75 -6.498 5.968 -0.945 614 H ALA 76 HN ALA 76 -11.406 1.564 2.917 615 HA ALA 76 HA ALA 76 -13.019 2.899 0.897 616 1HB ALA 76 HB1 ALA 76 -14.883 1.587 1.852 617 2HB ALA 76 HB2 ALA 76 -13.787 0.926 3.066 618 3HB ALA 76 HB3 ALA 76 -13.548 0.542 1.363 619 H GLY 77 HN GLY 77 -12.561 2.569 4.373 620 1HA GLY 77 HA2 GLY 77 -12.631 4.167 6.033 621 2HA GLY 77 HA1 GLY 77 -12.996 5.375 4.810 622 H SER 78 HN SER 78 -15.249 4.802 3.784 623 HA SER 78 HA SER 78 -17.174 4.312 5.918 624 1HB SER 78 HB2 SER 78 -16.811 6.777 5.541 625 2HB SER 78 HB1 SER 78 -17.314 6.549 3.868 626 HG SER 78 HG SER 78 -18.792 6.122 6.220 627 H ASP 79 HN ASP 79 -19.131 3.414 5.077 628 HA ASP 79 HA ASP 79 -18.789 2.291 2.385 629 1HB ASP 79 HB2 ASP 79 -20.153 0.427 3.033 630 2HB ASP 79 HB1 ASP 79 -18.971 0.656 4.313 631 H THR 80 HN THR 80 -20.837 1.922 1.223 632 HA THR 80 HA THR 80 -22.845 3.977 1.834 633 HB THR 80 HB THR 80 -21.371 4.715 -0.039 634 HG1 THR 80 HG1 THR 80 -23.472 5.402 -0.084 635 1HG2 THR 80 HG21 THR 80 -22.412 2.276 -1.497 636 2HG2 THR 80 HG22 THR 80 -20.748 2.539 -0.975 637 3HG2 THR 80 HG23 THR 80 -21.453 3.565 -2.225 638 H GLU 81 HN GLU 81 -22.722 1.112 2.480 639 HA GLU 81 HA GLU 81 -24.367 -0.284 0.584 640 1HB GLU 81 HB2 GLU 81 -23.703 -1.065 3.416 641 2HB GLU 81 HB1 GLU 81 -24.267 -2.120 2.130 642 1HG GLU 81 HG2 GLU 81 -22.175 -1.695 0.910 643 2HG GLU 81 HG1 GLU 81 -21.616 -0.720 2.268 644 H LEU 82 HN LEU 82 -26.498 -1.064 1.045 645 HA LEU 82 HA LEU 82 -27.930 0.752 2.850 646 1HB LEU 82 HB2 LEU 82 -28.919 -0.527 0.305 647 2HB LEU 82 HB1 LEU 82 -29.895 0.444 1.384 648 HG LEU 82 HG LEU 82 -27.518 1.419 -0.203 649 1HD1 LEU 82 HD11 LEU 82 -29.451 0.960 -1.596 650 2HD1 LEU 82 HD12 LEU 82 -29.180 2.697 -1.460 651 3HD1 LEU 82 HD13 LEU 82 -30.469 1.927 -0.532 652 1HD2 LEU 82 HD21 LEU 82 -27.736 2.603 1.926 653 2HD2 LEU 82 HD22 LEU 82 -29.434 2.929 1.577 654 3HD2 LEU 82 HD23 LEU 82 -28.171 3.649 0.575 655 H ALA 83 HN ALA 83 -28.139 -0.385 4.645 656 HA ALA 83 HA ALA 83 -29.040 -3.147 4.522 657 1HB ALA 83 HB1 ALA 83 -28.344 -1.416 6.902 658 2HB ALA 83 HB2 ALA 83 -27.268 -2.577 6.125 659 3HB ALA 83 HB3 ALA 83 -28.719 -3.139 6.953 660 H ALA 84 HN ALA 84 -31.069 -2.925 3.759 661 HA ALA 84 HA ALA 84 -33.133 -2.323 5.608 662 1HB ALA 84 HB1 ALA 84 -32.660 -0.023 4.873 663 2HB ALA 84 HB2 ALA 84 -34.225 -0.564 4.266 664 3HB ALA 84 HB3 ALA 84 -32.830 -0.522 3.189 665 HA PRO 85 HA PRO 85 -34.883 -5.461 2.979 666 1HB PRO 85 HB2 PRO 85 -37.493 -4.272 3.754 667 2HB PRO 85 HB1 PRO 85 -36.916 -5.931 3.947 668 1HG PRO 85 HG2 PRO 85 -37.104 -4.321 6.046 669 2HG PRO 85 HG1 PRO 85 -35.733 -5.434 5.882 670 1HD PRO 85 HD2 PRO 85 -35.859 -2.495 5.354 671 2HD PRO 85 HD1 PRO 85 -34.582 -3.446 6.146 672 H LYS 86 HN LYS 86 -35.896 -5.643 0.973 673 HA LYS 86 HA LYS 86 -35.896 -3.159 -0.541 674 1HB LYS 86 HB2 LYS 86 -36.237 -6.004 -1.521 675 2HB LYS 86 HB1 LYS 86 -36.020 -4.586 -2.539 676 1HG LYS 86 HG2 LYS 86 -34.011 -5.703 -0.589 677 2HG LYS 86 HG1 LYS 86 -33.950 -5.830 -2.347 678 1HD LYS 86 HD2 LYS 86 -33.717 -3.429 -2.548 679 2HD LYS 86 HD1 LYS 86 -33.912 -3.235 -0.804 680 1HE LYS 86 HE2 LYS 86 -31.853 -4.562 -0.466 681 2HE LYS 86 HE1 LYS 86 -31.653 -4.654 -2.215 682 1HZ LYS 86 HZ1 LYS 86 -31.744 -2.136 -0.652 683 2HZ LYS 86 HZ2 LYS 86 -31.381 -2.275 -2.310 684 3HZ LYS 86 HZ3 LYS 86 -30.323 -2.884 -1.166 685 H SER 87 HN SER 87 -38.115 -5.572 0.571 686 HA SER 87 HA SER 87 -40.361 -4.449 -0.816 687 1HB SER 87 HB2 SER 87 -40.305 -6.852 -0.217 688 2HB SER 87 HB1 SER 87 -40.190 -6.429 1.488 689 HG SER 87 HG SER 87 -42.335 -6.986 0.792 690 H LYS 88 HN LYS 88 -41.348 -2.636 -0.148 691 HA LYS 88 HA LYS 88 -40.681 -1.717 2.538 692 1HB LYS 88 HB2 LYS 88 -41.384 0.581 1.737 693 2HB LYS 88 HB1 LYS 88 -39.926 -0.084 1.035 694 1HG LYS 88 HG2 LYS 88 -41.145 1.041 -0.683 695 2HG LYS 88 HG1 LYS 88 -41.242 -0.683 -0.994 696 1HD LYS 88 HD2 LYS 88 -43.389 0.382 -1.429 697 2HD LYS 88 HD1 LYS 88 -43.524 -0.698 -0.039 698 1HE LYS 88 HE2 LYS 88 -43.348 1.222 1.468 699 2HE LYS 88 HE1 LYS 88 -43.189 2.300 0.082 700 1HZ LYS 88 HZ1 LYS 88 -45.559 0.587 0.615 701 2HZ LYS 88 HZ2 LYS 88 -45.418 1.728 -0.609 702 3HZ LYS 88 HZ3 LYS 88 -45.454 2.218 1.011 703 H ASN 89 HN ASN 89 -42.201 -0.426 3.728 704 HA ASN 89 HA ASN 89 -44.998 -0.683 3.213 705 1HB ASN 89 HB2 ASN 89 -44.566 -2.868 4.318 706 2HB ASN 89 HB1 ASN 89 -43.780 -2.036 5.657 707 1HD2 ASN 89 HD21 ASN 89 -45.039 -0.997 7.182 708 2HD2 ASN 89 HD22 ASN 89 -46.755 -1.114 7.259 Start of MODEL 12 1 1H GLY 1 HT1 GLY 1 -11.940 9.507 16.048 2 2H GLY 1 HT2 GLY 1 -13.270 8.930 16.960 3 3H GLY 1 HT3 GLY 1 -13.448 10.263 15.923 4 1HA GLY 1 HA1 GLY 1 -12.824 7.522 15.057 5 2HA GLY 1 HA2 GLY 1 -14.402 8.302 14.965 6 H ASP 2 HN ASP 2 -11.452 7.787 13.473 7 HA ASP 2 HA ASP 2 -11.628 10.117 11.730 8 1HB ASP 2 HB2 ASP 2 -9.623 7.840 11.811 9 2HB ASP 2 HB1 ASP 2 -9.541 9.197 10.698 10 H GLY 3 HN GLY 3 -12.897 7.017 11.853 11 1HA GLY 3 HA2 GLY 3 -14.296 6.029 10.273 12 2HA GLY 3 HA1 GLY 3 -13.636 7.106 9.032 13 H GLU 4 HN GLU 4 -11.332 6.811 8.589 14 HA GLU 4 HA GLU 4 -10.171 4.302 9.277 15 1HB GLU 4 HB2 GLU 4 -11.423 3.778 7.182 16 2HB GLU 4 HB1 GLU 4 -10.545 5.058 6.358 17 1HG GLU 4 HG2 GLU 4 -9.693 2.741 5.946 18 2HG GLU 4 HG1 GLU 4 -8.487 3.879 6.543 19 H ALA 5 HN ALA 5 -8.115 4.561 9.606 20 HA ALA 5 HA ALA 5 -7.002 7.209 9.056 21 1HB ALA 5 HB1 ALA 5 -5.421 6.742 10.848 22 2HB ALA 5 HB2 ALA 5 -6.092 5.124 11.038 23 3HB ALA 5 HB3 ALA 5 -7.079 6.541 11.409 24 H GLN 6 HN GLN 6 -6.839 3.967 8.072 25 HA GLN 6 HA GLN 6 -4.142 4.025 7.156 26 1HB GLN 6 HB2 GLN 6 -5.250 1.886 7.613 27 2HB GLN 6 HB1 GLN 6 -6.474 2.239 6.403 28 1HG GLN 6 HG2 GLN 6 -4.810 2.114 4.641 29 2HG GLN 6 HG1 GLN 6 -3.540 1.862 5.837 30 1HE2 GLN 6 HE21 GLN 6 -3.389 -0.124 6.852 31 2HE2 GLN 6 HE22 GLN 6 -4.182 -1.531 6.236 32 H ARG 7 HN ARG 7 -3.439 4.997 5.477 33 HA ARG 7 HA ARG 7 -5.337 6.212 3.569 34 1HB ARG 7 HB2 ARG 7 -3.641 7.921 3.221 35 2HB ARG 7 HB1 ARG 7 -3.978 7.791 4.940 36 1HG ARG 7 HG2 ARG 7 -1.937 6.347 5.130 37 2HG ARG 7 HG1 ARG 7 -1.586 6.746 3.452 38 1HD ARG 7 HD2 ARG 7 -1.795 8.689 5.762 39 2HD ARG 7 HD1 ARG 7 -0.318 8.182 4.955 40 HE ARG 7 HE ARG 7 -2.282 9.441 3.239 41 1HH1 ARG 7 HH11 ARG 7 0.687 9.853 5.117 42 2HH1 ARG 7 HH12 ARG 7 1.047 11.400 4.548 43 1HH2 ARG 7 HH21 ARG 7 -1.778 11.599 2.368 44 2HH2 ARG 7 HH22 ARG 7 -0.428 12.438 2.989 45 H ASP 8 HN ASP 8 -3.762 6.758 1.501 46 HA ASP 8 HA ASP 8 -3.394 4.315 0.146 47 1HB ASP 8 HB2 ASP 8 -1.903 6.886 -0.469 48 2HB ASP 8 HB1 ASP 8 -2.214 5.543 -1.556 49 H LEU 9 HN LEU 9 -1.773 2.893 0.272 50 HA LEU 9 HA LEU 9 0.187 3.103 2.235 51 1HB LEU 9 HB2 LEU 9 0.103 1.258 -0.128 52 2HB LEU 9 HB1 LEU 9 1.230 1.113 1.201 53 HG LEU 9 HG LEU 9 -1.757 0.810 1.340 54 1HD1 LEU 9 HD11 LEU 9 -0.616 -1.056 0.309 55 2HD1 LEU 9 HD12 LEU 9 -1.198 -1.505 1.914 56 3HD1 LEU 9 HD13 LEU 9 0.509 -1.144 1.662 57 1HD2 LEU 9 HD21 LEU 9 0.314 0.587 3.527 58 2HD2 LEU 9 HD22 LEU 9 -1.395 0.193 3.690 59 3HD2 LEU 9 HD23 LEU 9 -0.899 1.859 3.380 60 H VAL 10 HN VAL 10 0.297 4.129 -1.044 61 HA VAL 10 HA VAL 10 3.125 4.299 -1.226 62 HB VAL 10 HB VAL 10 0.914 5.571 -2.865 63 1HG1 VAL 10 HG11 VAL 10 2.899 7.050 -2.981 64 2HG1 VAL 10 HG12 VAL 10 2.612 6.216 -4.509 65 3HG1 VAL 10 HG13 VAL 10 3.888 5.661 -3.430 66 1HG2 VAL 10 HG21 VAL 10 1.694 3.968 -4.526 67 2HG2 VAL 10 HG22 VAL 10 1.148 3.195 -3.034 68 3HG2 VAL 10 HG23 VAL 10 2.872 3.355 -3.367 69 H LYS 11 HN LYS 11 0.789 6.256 0.333 70 HA LYS 11 HA LYS 11 2.383 8.661 0.330 71 1HB LYS 11 HB2 LYS 11 0.106 7.930 2.179 72 2HB LYS 11 HB1 LYS 11 0.735 9.527 1.805 73 1HG LYS 11 HG2 LYS 11 -0.673 7.740 -0.172 74 2HG LYS 11 HG1 LYS 11 -1.447 9.020 0.752 75 1HD LYS 11 HD2 LYS 11 -0.017 10.673 -0.316 76 2HD LYS 11 HD1 LYS 11 0.818 9.394 -1.205 77 1HE LYS 11 HE2 LYS 11 -0.890 10.558 -2.572 78 2HE LYS 11 HE1 LYS 11 -1.215 8.836 -2.392 79 1HZ LYS 11 HZ1 LYS 11 -2.471 10.830 -0.601 80 2HZ LYS 11 HZ2 LYS 11 -3.055 9.271 -0.995 81 3HZ LYS 11 HZ3 LYS 11 -3.109 10.521 -2.110 82 H ALA 12 HN ALA 12 2.474 5.711 1.841 83 HA ALA 12 HA ALA 12 3.910 6.707 4.197 84 1HB ALA 12 HB1 ALA 12 2.582 4.028 3.728 85 2HB ALA 12 HB2 ALA 12 1.942 5.339 4.718 86 3HB ALA 12 HB3 ALA 12 3.424 4.513 5.200 87 H VAL 13 HN VAL 13 3.865 3.923 1.997 88 HA VAL 13 HA VAL 13 6.459 3.023 2.538 89 HB VAL 13 HB VAL 13 4.700 2.491 0.130 90 1HG1 VAL 13 HG11 VAL 13 7.001 1.986 -0.399 91 2HG1 VAL 13 HG12 VAL 13 6.086 0.488 -0.219 92 3HG1 VAL 13 HG13 VAL 13 7.168 1.027 1.073 93 1HG2 VAL 13 HG21 VAL 13 5.148 0.908 2.659 94 2HG2 VAL 13 HG22 VAL 13 4.160 0.399 1.292 95 3HG2 VAL 13 HG23 VAL 13 3.693 1.813 2.240 96 H ALA 14 HN ALA 14 5.263 4.973 -0.225 97 HA ALA 14 HA ALA 14 7.855 5.133 -1.392 98 1HB ALA 14 HB1 ALA 14 6.905 6.920 -2.843 99 2HB ALA 14 HB2 ALA 14 5.455 6.933 -1.825 100 3HB ALA 14 HB3 ALA 14 5.852 5.500 -2.759 101 H HIS 15 HN HIS 15 6.154 6.867 1.022 102 HA HIS 15 HA HIS 15 7.768 9.192 1.018 103 1HB HIS 15 HB2 HIS 15 5.453 8.918 2.091 104 2HB HIS 15 HB1 HIS 15 6.268 8.091 3.407 105 HD1 HIS 15 HD1 HIS 15 5.392 11.456 2.159 106 HD2 HIS 15 HD2 HIS 15 8.048 9.817 4.921 107 HE1 HIS 15 HE1 HIS 15 6.212 13.357 3.526 108 HE2 HIS 15 HE2 HIS 15 7.879 12.382 5.121 109 H ILE 16 HN ILE 16 8.141 6.010 2.338 110 HA ILE 16 HA ILE 16 10.270 6.534 4.159 111 HB ILE 16 HB ILE 16 9.582 3.968 2.670 112 1HG1 ILE 16 HG12 ILE 16 7.719 4.679 4.034 113 2HG1 ILE 16 HG11 ILE 16 8.477 3.274 4.768 114 1HG2 ILE 16 HG21 ILE 16 11.863 3.864 3.497 115 2HG2 ILE 16 HG22 ILE 16 10.827 2.776 4.413 116 3HG2 ILE 16 HG23 ILE 16 11.317 4.319 5.111 117 1HD1 ILE 16 HD11 ILE 16 9.609 4.736 6.370 118 2HD1 ILE 16 HD12 ILE 16 7.852 4.911 6.442 119 3HD1 ILE 16 HD13 ILE 16 8.829 6.135 5.632 120 H LEU 17 HN LEU 17 10.012 5.974 0.752 121 HA LEU 17 HA LEU 17 12.860 5.669 0.270 122 1HB LEU 17 HB2 LEU 17 10.553 6.015 -1.639 123 2HB LEU 17 HB1 LEU 17 12.191 5.613 -2.091 124 HG LEU 17 HG LEU 17 10.393 3.854 -0.433 125 1HD1 LEU 17 HD11 LEU 17 11.174 3.704 -3.338 126 2HD1 LEU 17 HD12 LEU 17 9.578 4.120 -2.716 127 3HD1 LEU 17 HD13 LEU 17 10.234 2.502 -2.457 128 1HD2 LEU 17 HD21 LEU 17 12.773 3.524 -0.010 129 2HD2 LEU 17 HD22 LEU 17 13.062 3.337 -1.739 130 3HD2 LEU 17 HD23 LEU 17 12.083 2.153 -0.875 131 H GLY 18 HN GLY 18 10.771 8.208 0.815 132 1HA GLY 18 HA2 GLY 18 11.311 10.480 0.829 133 2HA GLY 18 HA1 GLY 18 12.686 10.136 -0.214 134 H ILE 19 HN ILE 19 9.655 8.794 -1.115 135 HA ILE 19 HA ILE 19 9.217 10.927 -3.033 136 HB ILE 19 HB ILE 19 8.291 9.026 -4.483 137 1HG1 ILE 19 HG12 ILE 19 10.314 7.440 -2.899 138 2HG1 ILE 19 HG11 ILE 19 8.571 7.211 -2.888 139 1HG2 ILE 19 HG21 ILE 19 11.275 9.463 -4.195 140 2HG2 ILE 19 HG22 ILE 19 10.164 10.435 -5.163 141 3HG2 ILE 19 HG23 ILE 19 10.504 8.763 -5.619 142 1HD1 ILE 19 HD11 ILE 19 9.673 5.530 -4.249 143 2HD1 ILE 19 HD12 ILE 19 10.405 6.790 -5.238 144 3HD1 ILE 19 HD13 ILE 19 8.657 6.568 -5.250 145 H ARG 20 HN ARG 20 7.004 9.931 -4.205 146 HA ARG 20 HA ARG 20 4.910 8.924 -2.655 147 1HB ARG 20 HB2 ARG 20 5.230 11.134 -1.413 148 2HB ARG 20 HB1 ARG 20 4.916 11.889 -2.985 149 1HG ARG 20 HG2 ARG 20 2.710 10.657 -2.993 150 2HG ARG 20 HG1 ARG 20 3.002 10.331 -1.281 151 1HD ARG 20 HD2 ARG 20 1.627 12.301 -1.538 152 2HD ARG 20 HD1 ARG 20 3.204 12.742 -0.884 153 HE ARG 20 HE ARG 20 3.165 12.928 -3.718 154 1HH1 ARG 20 HH11 ARG 20 2.246 14.736 -0.788 155 2HH1 ARG 20 HH12 ARG 20 2.273 16.235 -1.615 156 1HH2 ARG 20 HH21 ARG 20 3.204 14.940 -4.752 157 2HH2 ARG 20 HH22 ARG 20 2.837 16.369 -3.896 158 H ASP 21 HN ASP 21 5.891 11.511 -4.757 159 HA ASP 21 HA ASP 21 3.841 11.072 -6.707 160 1HB ASP 21 HB2 ASP 21 6.381 12.710 -6.918 161 2HB ASP 21 HB1 ASP 21 4.931 12.869 -7.901 162 H LEU 22 HN LEU 22 4.068 9.690 -8.300 163 HA LEU 22 HA LEU 22 6.742 8.557 -8.809 164 1HB LEU 22 HB2 LEU 22 4.083 7.169 -8.605 165 2HB LEU 22 HB1 LEU 22 5.356 6.544 -9.631 166 HG LEU 22 HG LEU 22 5.177 5.408 -7.432 167 1HD1 LEU 22 HD11 LEU 22 7.538 5.301 -7.022 168 2HD1 LEU 22 HD12 LEU 22 7.759 6.827 -7.866 169 3HD1 LEU 22 HD13 LEU 22 7.226 5.409 -8.762 170 1HD2 LEU 22 HD21 LEU 22 6.194 8.028 -6.301 171 2HD2 LEU 22 HD22 LEU 22 6.094 6.510 -5.422 172 3HD2 LEU 22 HD23 LEU 22 4.629 7.302 -5.984 173 H ALA 23 HN ALA 23 5.021 10.722 -9.947 174 HA ALA 23 HA ALA 23 4.287 9.817 -12.545 175 1HB ALA 23 HB1 ALA 23 4.617 12.643 -11.548 176 2HB ALA 23 HB2 ALA 23 3.130 11.698 -11.479 177 3HB ALA 23 HB3 ALA 23 3.811 12.157 -13.039 178 H GLY 24 HN GLY 24 7.097 10.784 -11.103 179 1HA GLY 24 HA2 GLY 24 8.456 10.461 -13.655 180 2HA GLY 24 HA1 GLY 24 8.873 11.893 -12.692 181 H ILE 25 HN ILE 25 8.090 8.718 -11.482 182 HA ILE 25 HA ILE 25 10.897 8.240 -10.808 183 HB ILE 25 HB ILE 25 8.524 7.823 -8.966 184 1HG1 ILE 25 HG12 ILE 25 9.216 10.199 -9.062 185 2HG1 ILE 25 HG11 ILE 25 9.457 9.493 -7.473 186 1HG2 ILE 25 HG21 ILE 25 11.455 7.267 -8.469 187 2HG2 ILE 25 HG22 ILE 25 10.184 6.062 -8.679 188 3HG2 ILE 25 HG23 ILE 25 10.175 7.112 -7.263 189 1HD1 ILE 25 HD11 ILE 25 11.300 10.930 -8.106 190 2HD1 ILE 25 HD12 ILE 25 11.580 9.938 -9.544 191 3HD1 ILE 25 HD13 ILE 25 11.817 9.251 -7.933 192 H ASN 26 HN ASN 26 11.389 6.085 -11.146 193 HA ASN 26 HA ASN 26 9.534 4.630 -12.729 194 1HB ASN 26 HB2 ASN 26 12.098 3.604 -11.493 195 2HB ASN 26 HB1 ASN 26 11.148 2.760 -12.705 196 1HD2 ASN 26 HD21 ASN 26 11.126 3.592 -14.881 197 2HD2 ASN 26 HD22 ASN 26 12.358 4.675 -15.390 198 H LEU 27 HN LEU 27 7.898 3.638 -12.118 199 HA LEU 27 HA LEU 27 7.710 2.525 -9.421 200 1HB LEU 27 HB2 LEU 27 5.202 2.555 -9.953 201 2HB LEU 27 HB1 LEU 27 5.995 4.085 -9.672 202 HG LEU 27 HG LEU 27 6.082 4.369 -12.195 203 1HD1 LEU 27 HD11 LEU 27 5.761 2.089 -12.875 204 2HD1 LEU 27 HD12 LEU 27 4.497 3.132 -13.534 205 3HD1 LEU 27 HD13 LEU 27 4.146 2.081 -12.157 206 1HD2 LEU 27 HD21 LEU 27 3.380 4.216 -10.867 207 2HD2 LEU 27 HD22 LEU 27 3.740 5.095 -12.348 208 3HD2 LEU 27 HD23 LEU 27 4.497 5.576 -10.829 209 H ASP 28 HN ASP 28 8.756 1.510 -12.103 210 HA ASP 28 HA ASP 28 7.330 -1.053 -12.192 211 1HB ASP 28 HB2 ASP 28 9.533 0.017 -13.976 212 2HB ASP 28 HB1 ASP 28 8.826 -1.581 -14.141 213 H SER 29 HN SER 29 9.623 0.218 -10.350 214 HA SER 29 HA SER 29 11.601 -1.894 -10.396 215 1HB SER 29 HB2 SER 29 11.204 0.290 -8.344 216 2HB SER 29 HB1 SER 29 12.663 -0.639 -8.650 217 HG SER 29 HG SER 29 12.183 0.433 -10.949 218 H SER 30 HN SER 30 11.770 -3.521 -8.809 219 HA SER 30 HA SER 30 9.389 -4.185 -7.346 220 1HB SER 30 HB2 SER 30 12.163 -5.392 -7.151 221 2HB SER 30 HB1 SER 30 10.651 -6.130 -6.619 222 HG SER 30 HG SER 30 9.962 -6.028 -8.808 223 H LEU 31 HN LEU 31 9.072 -3.976 -5.103 224 HA LEU 31 HA LEU 31 10.252 -1.873 -3.738 225 1HB LEU 31 HB2 LEU 31 8.041 -3.115 -3.286 226 2HB LEU 31 HB1 LEU 31 8.998 -4.258 -2.372 227 HG LEU 31 HG LEU 31 9.667 -2.408 -0.833 228 1HD1 LEU 31 HD11 LEU 31 7.637 -0.881 -2.420 229 2HD1 LEU 31 HD12 LEU 31 9.378 -0.560 -2.408 230 3HD1 LEU 31 HD13 LEU 31 8.415 -0.317 -0.942 231 1HD2 LEU 31 HD21 LEU 31 6.698 -2.769 -1.189 232 2HD2 LEU 31 HD22 LEU 31 7.510 -2.195 0.270 233 3HD2 LEU 31 HD23 LEU 31 7.769 -3.845 -0.294 234 H ALA 32 HN ALA 32 11.130 -5.208 -3.897 235 HA ALA 32 HA ALA 32 12.935 -5.378 -1.793 236 1HB ALA 32 HB1 ALA 32 13.940 -7.274 -2.990 237 2HB ALA 32 HB2 ALA 32 13.077 -6.794 -4.452 238 3HB ALA 32 HB3 ALA 32 12.178 -7.334 -3.035 239 H ASP 33 HN ASP 33 13.325 -4.375 -5.110 240 HA ASP 33 HA ASP 33 16.150 -4.176 -5.221 241 1HB ASP 33 HB2 ASP 33 14.724 -4.447 -7.217 242 2HB ASP 33 HB1 ASP 33 13.980 -2.897 -6.894 243 H LEU 34 HN LEU 34 13.539 -2.047 -4.469 244 HA LEU 34 HA LEU 34 14.837 0.446 -4.460 245 1HB LEU 34 HB2 LEU 34 12.594 -0.405 -2.653 246 2HB LEU 34 HB1 LEU 34 12.978 1.223 -3.186 247 HG LEU 34 HG LEU 34 11.971 -1.008 -4.932 248 1HD1 LEU 34 HD11 LEU 34 10.583 1.449 -3.922 249 2HD1 LEU 34 HD12 LEU 34 10.360 -0.217 -3.377 250 3HD1 LEU 34 HD13 LEU 34 9.917 0.227 -5.027 251 1HD2 LEU 34 HD21 LEU 34 13.404 0.496 -6.142 252 2HD2 LEU 34 HD22 LEU 34 12.465 1.888 -5.560 253 3HD2 LEU 34 HD23 LEU 34 11.715 0.676 -6.615 254 H GLY 35 HN GLY 35 14.184 -1.847 -1.871 255 1HA GLY 35 HA2 GLY 35 16.552 -1.736 -0.546 256 2HA GLY 35 HA1 GLY 35 15.706 -0.311 0.033 257 H LEU 36 HN LEU 36 13.435 -2.752 -0.641 258 HA LEU 36 HA LEU 36 13.173 -3.140 2.140 259 1HB LEU 36 HB2 LEU 36 11.107 -3.014 1.274 260 2HB LEU 36 HB1 LEU 36 11.445 -3.904 -0.172 261 HG LEU 36 HG LEU 36 11.359 -6.022 1.146 262 1HD1 LEU 36 HD11 LEU 36 10.616 -4.246 3.463 263 2HD1 LEU 36 HD12 LEU 36 12.111 -5.174 3.303 264 3HD1 LEU 36 HD13 LEU 36 10.562 -6.007 3.448 265 1HD2 LEU 36 HD21 LEU 36 8.974 -4.262 1.603 266 2HD2 LEU 36 HD22 LEU 36 8.989 -6.030 1.554 267 3HD2 LEU 36 HD23 LEU 36 9.364 -5.088 0.103 268 H ASP 37 HN ASP 37 14.272 -4.213 3.197 269 HA ASP 37 HA ASP 37 14.805 -7.038 2.619 270 1HB ASP 37 HB2 ASP 37 16.924 -6.032 2.228 271 2HB ASP 37 HB1 ASP 37 16.737 -4.929 3.585 272 H SER 38 HN SER 38 14.239 -4.422 4.896 273 HA SER 38 HA SER 38 13.289 -6.357 6.816 274 1HB SER 38 HB2 SER 38 15.574 -6.102 7.520 275 2HB SER 38 HB1 SER 38 15.488 -4.353 7.371 276 HG SER 38 HG SER 38 15.098 -4.421 9.346 277 H LEU 39 HN LEU 39 13.988 -2.870 7.085 278 HA LEU 39 HA LEU 39 11.705 -2.326 8.601 279 1HB LEU 39 HB2 LEU 39 13.776 -1.009 8.568 280 2HB LEU 39 HB1 LEU 39 13.295 -0.349 7.017 281 HG LEU 39 HG LEU 39 11.312 -0.072 9.185 282 1HD1 LEU 39 HD11 LEU 39 13.893 1.449 9.191 283 2HD1 LEU 39 HD12 LEU 39 13.345 0.198 10.318 284 3HD1 LEU 39 HD13 LEU 39 12.482 1.744 10.244 285 1HD2 LEU 39 HD21 LEU 39 11.086 2.173 8.224 286 2HD2 LEU 39 HD22 LEU 39 10.939 0.927 6.995 287 3HD2 LEU 39 HD23 LEU 39 12.441 1.852 7.133 288 H MET 40 HN MET 40 12.198 -2.062 5.127 289 HA MET 40 HA MET 40 9.794 -0.556 4.650 290 1HB MET 40 HB2 MET 40 11.556 -2.047 2.718 291 2HB MET 40 HB1 MET 40 10.225 -0.990 2.264 292 1HG MET 40 HG2 MET 40 11.360 0.885 3.343 293 2HG MET 40 HG1 MET 40 12.698 -0.181 3.765 294 1HE MET 40 HE1 MET 40 14.295 2.041 1.026 295 2HE MET 40 HE2 MET 40 14.441 1.395 2.661 296 3HE MET 40 HE3 MET 40 13.147 2.528 2.273 297 H GLY 41 HN GLY 41 9.905 -3.444 5.782 298 1HA GLY 41 HA2 GLY 41 7.440 -4.229 4.381 299 2HA GLY 41 HA1 GLY 41 8.675 -5.425 4.754 300 H VAL 42 HN VAL 42 9.297 -4.109 7.350 301 HA VAL 42 HA VAL 42 7.492 -5.578 8.938 302 HB VAL 42 HB VAL 42 9.436 -3.422 9.841 303 1HG1 VAL 42 HG11 VAL 42 8.060 -5.575 11.446 304 2HG1 VAL 42 HG12 VAL 42 7.738 -3.842 11.533 305 3HG1 VAL 42 HG13 VAL 42 9.300 -4.477 12.054 306 1HG2 VAL 42 HG21 VAL 42 10.581 -5.242 8.699 307 2HG2 VAL 42 HG22 VAL 42 9.770 -6.418 9.731 308 3HG2 VAL 42 HG23 VAL 42 10.926 -5.285 10.428 309 H GLU 43 HN GLU 43 7.896 -2.027 8.613 310 HA GLU 43 HA GLU 43 5.683 -1.494 10.246 311 1HB GLU 43 HB2 GLU 43 7.430 0.205 9.685 312 2HB GLU 43 HB1 GLU 43 6.723 0.339 8.077 313 1HG GLU 43 HG2 GLU 43 4.622 1.086 9.025 314 2HG GLU 43 HG1 GLU 43 5.259 0.888 10.650 315 H VAL 44 HN VAL 44 6.003 -2.102 6.861 316 HA VAL 44 HA VAL 44 3.438 -1.366 5.944 317 HB VAL 44 HB VAL 44 5.291 -3.546 4.918 318 1HG1 VAL 44 HG11 VAL 44 3.012 -3.870 4.118 319 2HG1 VAL 44 HG12 VAL 44 4.071 -3.350 2.805 320 3HG1 VAL 44 HG13 VAL 44 2.956 -2.201 3.551 321 1HG2 VAL 44 HG21 VAL 44 5.979 -1.876 3.273 322 2HG2 VAL 44 HG22 VAL 44 6.320 -1.349 4.919 323 3HG2 VAL 44 HG23 VAL 44 4.936 -0.682 4.047 324 H ARG 45 HN ARG 45 4.684 -4.505 7.035 325 HA ARG 45 HA ARG 45 2.331 -5.965 6.957 326 1HB ARG 45 HB2 ARG 45 4.819 -6.118 8.580 327 2HB ARG 45 HB1 ARG 45 3.459 -7.108 9.079 328 1HG ARG 45 HG2 ARG 45 3.430 -8.220 6.952 329 2HG ARG 45 HG1 ARG 45 4.667 -7.130 6.327 330 1HD ARG 45 HD2 ARG 45 5.168 -8.787 8.766 331 2HD ARG 45 HD1 ARG 45 5.362 -9.475 7.155 332 HE ARG 45 HE ARG 45 6.827 -7.347 6.878 333 1HH1 ARG 45 HH11 ARG 45 6.683 -9.068 9.940 334 2HH1 ARG 45 HH12 ARG 45 8.368 -9.216 10.145 335 1HH2 ARG 45 HH21 ARG 45 9.232 -7.599 7.101 336 2HH2 ARG 45 HH22 ARG 45 9.836 -8.411 8.451 337 H GLN 46 HN GLN 46 3.546 -3.866 9.493 338 HA GLN 46 HA GLN 46 1.469 -4.384 11.329 339 1HB GLN 46 HB2 GLN 46 3.238 -1.958 11.100 340 2HB GLN 46 HB1 GLN 46 2.227 -2.352 12.484 341 1HG GLN 46 HG2 GLN 46 3.502 -4.428 12.792 342 2HG GLN 46 HG1 GLN 46 4.539 -3.962 11.445 343 1HE2 GLN 46 HE21 GLN 46 3.266 -1.723 13.805 344 2HE2 GLN 46 HE22 GLN 46 4.794 -1.364 14.532 345 H ILE 47 HN ILE 47 1.616 -2.299 8.564 346 HA ILE 47 HA ILE 47 -0.653 -0.727 9.391 347 HB ILE 47 HB ILE 47 0.521 -1.018 6.590 348 1HG1 ILE 47 HG12 ILE 47 0.952 1.168 8.632 349 2HG1 ILE 47 HG11 ILE 47 2.125 -0.089 8.258 350 1HG2 ILE 47 HG21 ILE 47 -1.782 -0.206 6.577 351 2HG2 ILE 47 HG22 ILE 47 -0.668 1.077 6.108 352 3HG2 ILE 47 HG23 ILE 47 -1.355 1.055 7.735 353 1HD1 ILE 47 HD11 ILE 47 2.699 1.997 7.157 354 2HD1 ILE 47 HD12 ILE 47 1.121 2.036 6.369 355 3HD1 ILE 47 HD13 ILE 47 2.278 0.769 5.961 356 H LEU 48 HN LEU 48 -0.086 -3.275 7.008 357 HA LEU 48 HA LEU 48 -2.832 -3.390 6.273 358 1HB LEU 48 HB2 LEU 48 -0.514 -5.141 5.530 359 2HB LEU 48 HB1 LEU 48 -2.143 -5.468 4.985 360 HG LEU 48 HG LEU 48 -1.007 -4.394 3.222 361 1HD1 LEU 48 HD11 LEU 48 -2.791 -2.387 4.558 362 2HD1 LEU 48 HD12 LEU 48 -3.291 -3.699 3.490 363 3HD1 LEU 48 HD13 LEU 48 -2.316 -2.371 2.861 364 1HD2 LEU 48 HD21 LEU 48 -0.260 -2.196 5.139 365 2HD2 LEU 48 HD22 LEU 48 0.041 -2.188 3.401 366 3HD2 LEU 48 HD23 LEU 48 0.834 -3.382 4.429 367 H GLU 49 HN GLU 49 -0.943 -5.237 8.578 368 HA GLU 49 HA GLU 49 -3.092 -7.149 8.794 369 1HB GLU 49 HB2 GLU 49 -0.707 -7.848 8.913 370 2HB GLU 49 HB1 GLU 49 -0.538 -6.940 10.405 371 1HG GLU 49 HG2 GLU 49 -2.116 -8.411 11.509 372 2HG GLU 49 HG1 GLU 49 -2.397 -9.275 10.003 373 H ARG 50 HN ARG 50 -2.358 -4.149 10.219 374 HA ARG 50 HA ARG 50 -3.946 -4.888 12.575 375 1HB ARG 50 HB2 ARG 50 -2.159 -2.502 12.251 376 2HB ARG 50 HB1 ARG 50 -3.173 -2.804 13.651 377 1HG ARG 50 HG2 ARG 50 -1.899 -4.881 14.072 378 2HG ARG 50 HG1 ARG 50 -0.849 -4.475 12.706 379 1HD ARG 50 HD2 ARG 50 -1.223 -2.929 15.266 380 2HD ARG 50 HD1 ARG 50 0.250 -3.710 14.685 381 HE ARG 50 HE ARG 50 -0.565 -1.932 12.748 382 1HH1 ARG 50 HH11 ARG 50 0.964 -1.815 15.955 383 2HH1 ARG 50 HH12 ARG 50 1.366 -0.164 15.839 384 1HH2 ARG 50 HH21 ARG 50 0.029 0.314 12.611 385 2HH2 ARG 50 HH22 ARG 50 0.885 1.054 13.880 386 H GLU 51 HN GLU 51 -3.797 -2.242 10.144 387 HA GLU 51 HA GLU 51 -6.037 -0.876 11.261 388 1HB GLU 51 HB2 GLU 51 -5.109 -0.726 8.385 389 2HB GLU 51 HB1 GLU 51 -6.060 0.463 9.255 390 1HG GLU 51 HG2 GLU 51 -3.177 -0.241 9.714 391 2HG GLU 51 HG1 GLU 51 -3.808 1.244 9.009 392 H HIS 52 HN HIS 52 -5.653 -3.272 8.787 393 HA HIS 52 HA HIS 52 -8.524 -3.754 8.794 394 1HB HIS 52 HB2 HIS 52 -6.684 -3.519 6.401 395 2HB HIS 52 HB1 HIS 52 -8.125 -4.516 6.320 396 HD1 HIS 52 HD1 HIS 52 -7.042 -1.195 5.423 397 HD2 HIS 52 HD2 HIS 52 -10.513 -2.799 7.082 398 HE1 HIS 52 HE1 HIS 52 -8.816 0.479 5.032 399 HE2 HIS 52 HE2 HIS 52 -10.826 -0.392 6.237 400 H ASP 53 HN ASP 53 -8.946 -6.108 8.333 401 HA ASP 53 HA ASP 53 -6.737 -7.379 9.314 402 1HB ASP 53 HB2 ASP 53 -8.112 -9.469 9.698 403 2HB ASP 53 HB1 ASP 53 -8.619 -8.036 10.564 404 H LEU 54 HN LEU 54 -5.452 -7.211 7.526 405 HA LEU 54 HA LEU 54 -5.867 -9.325 5.518 406 1HB LEU 54 HB2 LEU 54 -4.533 -6.630 5.266 407 2HB LEU 54 HB1 LEU 54 -4.104 -7.946 4.208 408 HG LEU 54 HG LEU 54 -6.459 -7.987 3.409 409 1HD1 LEU 54 HD11 LEU 54 -7.564 -6.912 5.292 410 2HD1 LEU 54 HD12 LEU 54 -7.874 -6.037 3.795 411 3HD1 LEU 54 HD13 LEU 54 -6.701 -5.412 4.957 412 1HD2 LEU 54 HD21 LEU 54 -6.213 -6.005 2.003 413 2HD2 LEU 54 HD22 LEU 54 -4.709 -6.914 2.148 414 3HD2 LEU 54 HD23 LEU 54 -4.930 -5.422 3.061 415 H VAL 55 HN VAL 55 -3.926 -10.425 4.906 416 HA VAL 55 HA VAL 55 -1.608 -9.873 6.585 417 HB VAL 55 HB VAL 55 -2.481 -12.681 5.796 418 1HG1 VAL 55 HG11 VAL 55 -0.089 -12.414 5.954 419 2HG1 VAL 55 HG12 VAL 55 -0.664 -13.378 7.321 420 3HG1 VAL 55 HG13 VAL 55 -0.252 -11.674 7.546 421 1HG2 VAL 55 HG21 VAL 55 -2.602 -11.391 8.537 422 2HG2 VAL 55 HG22 VAL 55 -2.938 -13.085 8.182 423 3HG2 VAL 55 HG23 VAL 55 -3.986 -11.826 7.534 424 H LEU 56 HN LEU 56 -0.460 -8.876 5.042 425 HA LEU 56 HA LEU 56 -0.129 -10.261 2.484 426 1HB LEU 56 HB2 LEU 56 0.617 -7.424 3.183 427 2HB LEU 56 HB1 LEU 56 0.700 -8.149 1.596 428 HG LEU 56 HG LEU 56 -1.817 -7.475 3.124 429 1HD1 LEU 56 HD11 LEU 56 -0.733 -5.553 2.143 430 2HD1 LEU 56 HD12 LEU 56 -2.222 -5.933 1.279 431 3HD1 LEU 56 HD13 LEU 56 -0.661 -6.366 0.580 432 1HD2 LEU 56 HD21 LEU 56 -2.103 -9.563 1.869 433 2HD2 LEU 56 HD22 LEU 56 -1.546 -8.755 0.399 434 3HD2 LEU 56 HD23 LEU 56 -3.049 -8.250 1.178 435 HA PRO 57 HA PRO 57 3.707 -11.329 4.574 436 1HB PRO 57 HB2 PRO 57 3.983 -13.184 2.336 437 2HB PRO 57 HB1 PRO 57 3.820 -13.544 4.060 438 1HG PRO 57 HG2 PRO 57 1.857 -14.090 2.316 439 2HG PRO 57 HG1 PRO 57 1.499 -13.525 3.961 440 1HD PRO 57 HD2 PRO 57 1.569 -11.977 1.402 441 2HD PRO 57 HD1 PRO 57 0.338 -11.973 2.688 442 H ILE 58 HN ILE 58 5.987 -11.627 3.818 443 HA ILE 58 HA ILE 58 6.787 -9.435 2.234 444 HB ILE 58 HB ILE 58 8.458 -11.778 3.249 445 1HG1 ILE 58 HG12 ILE 58 9.540 -9.899 4.604 446 2HG1 ILE 58 HG11 ILE 58 8.220 -8.895 4.012 447 1HG2 ILE 58 HG21 ILE 58 9.493 -9.354 1.772 448 2HG2 ILE 58 HG22 ILE 58 9.518 -11.013 1.187 449 3HG2 ILE 58 HG23 ILE 58 10.482 -10.561 2.589 450 1HD1 ILE 58 HD11 ILE 58 6.619 -10.306 5.126 451 2HD1 ILE 58 HD12 ILE 58 7.821 -9.688 6.258 452 3HD1 ILE 58 HD13 ILE 58 7.915 -11.356 5.693 453 H ARG 59 HN ARG 59 6.245 -12.742 1.413 454 HA ARG 59 HA ARG 59 7.308 -12.429 -1.181 455 1HB ARG 59 HB2 ARG 59 6.199 -14.606 -1.846 456 2HB ARG 59 HB1 ARG 59 7.360 -14.688 -0.550 457 1HG ARG 59 HG2 ARG 59 4.365 -14.722 -0.187 458 2HG ARG 59 HG1 ARG 59 5.385 -16.155 -0.285 459 1HD ARG 59 HD2 ARG 59 5.313 -14.048 1.865 460 2HD ARG 59 HD1 ARG 59 5.006 -15.768 2.012 461 HE ARG 59 HE ARG 59 7.659 -15.290 1.109 462 1HH1 ARG 59 HH11 ARG 59 5.641 -15.486 4.046 463 2HH1 ARG 59 HH12 ARG 59 7.001 -15.444 5.084 464 1HH2 ARG 59 HH21 ARG 59 9.502 -15.229 2.657 465 2HH2 ARG 59 HH22 ARG 59 9.136 -15.328 4.321 466 H GLU 60 HN GLU 60 4.688 -11.033 -0.019 467 HA GLU 60 HA GLU 60 3.688 -10.584 -2.737 468 1HB GLU 60 HB2 GLU 60 2.522 -9.939 -0.013 469 2HB GLU 60 HB1 GLU 60 1.929 -9.182 -1.478 470 1HG GLU 60 HG2 GLU 60 1.915 -12.133 -0.915 471 2HG GLU 60 HG1 GLU 60 0.539 -11.043 -0.729 472 H VAL 61 HN VAL 61 4.335 -8.842 0.252 473 HA VAL 61 HA VAL 61 4.363 -6.284 -0.697 474 HB VAL 61 HB VAL 61 5.915 -7.353 1.670 475 1HG1 VAL 61 HG11 VAL 61 6.707 -5.135 1.065 476 2HG1 VAL 61 HG12 VAL 61 5.777 -5.073 2.565 477 3HG1 VAL 61 HG13 VAL 61 5.050 -4.529 1.053 478 1HG2 VAL 61 HG21 VAL 61 3.537 -7.871 1.779 479 2HG2 VAL 61 HG22 VAL 61 3.141 -6.178 1.489 480 3HG2 VAL 61 HG23 VAL 61 3.964 -6.648 2.975 481 H ARG 62 HN ARG 62 7.202 -8.409 -0.502 482 HA ARG 62 HA ARG 62 9.023 -6.284 -1.071 483 1HB ARG 62 HB2 ARG 62 9.440 -8.510 0.171 484 2HB ARG 62 HB1 ARG 62 9.626 -9.210 -1.430 485 1HG ARG 62 HG2 ARG 62 11.453 -7.666 -1.888 486 2HG ARG 62 HG1 ARG 62 11.251 -6.958 -0.290 487 1HD ARG 62 HD2 ARG 62 11.769 -9.149 0.715 488 2HD ARG 62 HD1 ARG 62 12.040 -9.803 -0.900 489 HE ARG 62 HE ARG 62 13.597 -7.463 -0.146 490 1HH1 ARG 62 HH11 ARG 62 13.569 -10.999 -0.445 491 2HH1 ARG 62 HH12 ARG 62 15.275 -11.132 -0.496 492 1HH2 ARG 62 HH21 ARG 62 15.928 -7.649 -0.262 493 2HH2 ARG 62 HH22 ARG 62 16.629 -9.187 -0.357 494 H GLN 63 HN GLN 63 6.904 -7.952 -3.015 495 HA GLN 63 HA GLN 63 8.532 -7.665 -5.430 496 1HB GLN 63 HB2 GLN 63 6.109 -9.379 -4.850 497 2HB GLN 63 HB1 GLN 63 6.707 -9.112 -6.474 498 1HG GLN 63 HG2 GLN 63 7.486 -11.241 -5.663 499 2HG GLN 63 HG1 GLN 63 8.843 -10.143 -5.854 500 1HE2 GLN 63 HE21 GLN 63 6.615 -10.134 -3.189 501 2HE2 GLN 63 HE22 GLN 63 7.735 -10.609 -1.963 502 H LEU 64 HN LEU 64 6.325 -5.999 -3.684 503 HA LEU 64 HA LEU 64 4.547 -5.197 -5.772 504 1HB LEU 64 HB2 LEU 64 5.117 -3.739 -3.188 505 2HB LEU 64 HB1 LEU 64 3.713 -3.551 -4.212 506 HG LEU 64 HG LEU 64 4.418 -5.890 -2.478 507 1HD1 LEU 64 HD11 LEU 64 2.134 -3.946 -2.370 508 2HD1 LEU 64 HD12 LEU 64 3.501 -4.047 -1.259 509 3HD1 LEU 64 HD13 LEU 64 2.322 -5.356 -1.331 510 1HD2 LEU 64 HD21 LEU 64 3.418 -6.753 -4.511 511 2HD2 LEU 64 HD22 LEU 64 2.078 -5.619 -4.362 512 3HD2 LEU 64 HD23 LEU 64 2.285 -6.905 -3.172 513 H THR 65 HN THR 65 4.710 -3.404 -7.074 514 HA THR 65 HA THR 65 7.369 -2.406 -7.458 515 HB THR 65 HB THR 65 6.257 -1.540 -9.525 516 HG1 THR 65 HG1 THR 65 4.140 -1.855 -9.737 517 1HG2 THR 65 HG21 THR 65 5.824 -4.407 -8.799 518 2HG2 THR 65 HG22 THR 65 7.364 -3.736 -9.320 519 3HG2 THR 65 HG23 THR 65 5.984 -3.795 -10.452 520 H LEU 66 HN LEU 66 6.153 -1.398 -5.133 521 HA LEU 66 HA LEU 66 5.726 0.523 -3.968 522 1HB LEU 66 HB2 LEU 66 7.759 1.307 -5.310 523 2HB LEU 66 HB1 LEU 66 6.642 2.022 -6.445 524 HG LEU 66 HG LEU 66 7.647 3.672 -4.902 525 1HD1 LEU 66 HD11 LEU 66 5.579 4.784 -4.175 526 2HD1 LEU 66 HD12 LEU 66 4.713 3.273 -4.496 527 3HD1 LEU 66 HD13 LEU 66 5.445 4.150 -5.823 528 1HD2 LEU 66 HD21 LEU 66 7.021 3.676 -2.547 529 2HD2 LEU 66 HD22 LEU 66 7.937 2.233 -2.978 530 3HD2 LEU 66 HD23 LEU 66 6.185 2.138 -2.765 531 H ARG 67 HN ARG 67 4.649 1.179 -7.289 532 HA ARG 67 HA ARG 67 2.360 2.494 -6.206 533 1HB ARG 67 HB2 ARG 67 3.290 2.048 -8.998 534 2HB ARG 67 HB1 ARG 67 1.631 2.560 -8.702 535 1HG ARG 67 HG2 ARG 67 4.086 3.997 -7.716 536 2HG ARG 67 HG1 ARG 67 3.112 4.466 -9.119 537 1HD ARG 67 HD2 ARG 67 1.137 4.633 -7.627 538 2HD ARG 67 HD1 ARG 67 2.160 4.241 -6.281 539 HE ARG 67 HE ARG 67 3.278 6.284 -6.480 540 1HH1 ARG 67 HH11 ARG 67 0.639 6.119 -8.810 541 2HH1 ARG 67 HH12 ARG 67 0.141 7.728 -8.625 542 1HH2 ARG 67 HH21 ARG 67 2.614 8.583 -6.197 543 2HH2 ARG 67 HH22 ARG 67 1.269 9.146 -7.082 544 H LYS 68 HN LYS 68 3.002 -0.629 -6.658 545 HA LYS 68 HA LYS 68 0.305 -1.486 -7.141 546 1HB LYS 68 HB2 LYS 68 2.374 -2.857 -7.616 547 2HB LYS 68 HB1 LYS 68 2.567 -3.048 -5.881 548 1HG LYS 68 HG2 LYS 68 0.431 -4.191 -5.750 549 2HG LYS 68 HG1 LYS 68 0.203 -3.967 -7.486 550 1HD LYS 68 HD2 LYS 68 2.248 -5.267 -7.894 551 2HD LYS 68 HD1 LYS 68 2.397 -5.543 -6.152 552 1HE LYS 68 HE2 LYS 68 0.206 -6.582 -6.161 553 2HE LYS 68 HE1 LYS 68 0.110 -6.383 -7.912 554 1HZ LYS 68 HZ1 LYS 68 1.864 -8.229 -6.361 555 2HZ LYS 68 HZ2 LYS 68 2.341 -7.669 -7.858 556 3HZ LYS 68 HZ3 LYS 68 0.931 -8.559 -7.742 557 H LEU 69 HN LEU 69 2.203 -0.478 -4.548 558 HA LEU 69 HA LEU 69 0.913 -1.542 -2.270 559 1HB LEU 69 HB2 LEU 69 2.438 1.007 -2.643 560 2HB LEU 69 HB1 LEU 69 1.533 0.778 -1.171 561 HG LEU 69 HG LEU 69 3.849 0.279 -0.817 562 1HD1 LEU 69 HD11 LEU 69 2.285 -0.975 0.475 563 2HD1 LEU 69 HD12 LEU 69 3.693 -1.971 0.102 564 3HD1 LEU 69 HD13 LEU 69 2.182 -2.207 -0.780 565 1HD2 LEU 69 HD21 LEU 69 4.985 -1.594 -1.910 566 2HD2 LEU 69 HD22 LEU 69 4.517 -0.350 -3.070 567 3HD2 LEU 69 HD23 LEU 69 3.578 -1.836 -2.947 568 H GLN 70 HN GLN 70 -0.038 1.201 -4.224 569 HA GLN 70 HA GLN 70 -2.198 1.799 -2.385 570 1HB GLN 70 HB2 GLN 70 -2.766 3.644 -4.049 571 2HB GLN 70 HB1 GLN 70 -1.264 3.785 -3.154 572 1HG GLN 70 HG2 GLN 70 -0.005 3.061 -5.054 573 2HG GLN 70 HG1 GLN 70 -1.492 2.769 -5.980 574 1HE2 GLN 70 HE21 GLN 70 -2.537 4.558 -6.862 575 2HE2 GLN 70 HE22 GLN 70 -1.750 6.105 -6.864 576 H GLU 71 HN GLU 71 -1.906 -0.514 -4.481 577 HA GLU 71 HA GLU 71 -4.785 -0.444 -5.068 578 1HB GLU 71 HB2 GLU 71 -2.667 -2.090 -6.490 579 2HB GLU 71 HB1 GLU 71 -4.371 -1.993 -6.916 580 1HG GLU 71 HG2 GLU 71 -4.043 0.430 -7.388 581 2HG GLU 71 HG1 GLU 71 -2.319 0.196 -7.128 582 H MET 72 HN MET 72 -2.211 -1.920 -3.502 583 HA MET 72 HA MET 72 -3.918 -4.090 -2.529 584 1HB MET 72 HB2 MET 72 -0.909 -3.712 -2.363 585 2HB MET 72 HB1 MET 72 -1.792 -5.089 -1.711 586 1HG MET 72 HG2 MET 72 -1.635 -4.310 -4.612 587 2HG MET 72 HG1 MET 72 -0.743 -5.623 -3.844 588 1HE MET 72 HE1 MET 72 -1.766 -7.124 -5.904 589 2HE MET 72 HE2 MET 72 -2.754 -5.775 -6.464 590 3HE MET 72 HE3 MET 72 -3.496 -7.344 -6.151 591 H SER 73 HN SER 73 -3.951 -1.196 -1.876 592 HA SER 73 HA SER 73 -2.863 -0.917 0.727 593 1HB SER 73 HB2 SER 73 -3.955 1.365 0.482 594 2HB SER 73 HB1 SER 73 -2.757 0.922 -0.720 595 HG SER 73 HG SER 73 -4.767 1.816 -1.570 596 H SER 74 HN SER 74 -5.141 -2.769 -0.094 597 HA SER 74 HA SER 74 -6.906 -3.815 0.914 598 1HB SER 74 HB2 SER 74 -6.983 -1.535 2.927 599 2HB SER 74 HB1 SER 74 -7.853 -3.062 3.054 600 HG SER 74 HG SER 74 -5.085 -3.075 2.738 601 H LYS 75 HN LYS 75 -6.854 -1.033 -0.653 602 HA LYS 75 HA LYS 75 -9.692 -1.116 -1.123 603 1HB LYS 75 HB2 LYS 75 -9.757 1.413 -1.087 604 2HB LYS 75 HB1 LYS 75 -9.591 0.641 0.481 605 1HG LYS 75 HG2 LYS 75 -7.182 1.160 0.470 606 2HG LYS 75 HG1 LYS 75 -7.367 1.935 -1.105 607 1HD LYS 75 HD2 LYS 75 -8.960 3.524 -0.090 608 2HD LYS 75 HD1 LYS 75 -8.680 2.770 1.478 609 1HE LYS 75 HE2 LYS 75 -6.346 3.430 1.420 610 2HE LYS 75 HE1 LYS 75 -6.540 4.077 -0.208 611 1HZ LYS 75 HZ1 LYS 75 -6.651 5.886 1.410 612 2HZ LYS 75 HZ2 LYS 75 -7.880 5.079 2.248 613 3HZ LYS 75 HZ3 LYS 75 -8.161 5.651 0.698 614 H ALA 76 HN ALA 76 -9.492 -1.934 -3.130 615 HA ALA 76 HA ALA 76 -7.621 -0.987 -5.053 616 1HB ALA 76 HB1 ALA 76 -10.203 -2.511 -5.473 617 2HB ALA 76 HB2 ALA 76 -8.622 -3.231 -5.177 618 3HB ALA 76 HB3 ALA 76 -8.910 -2.320 -6.659 619 H GLY 77 HN GLY 77 -10.640 0.078 -3.953 620 1HA GLY 77 HA2 GLY 77 -10.600 2.273 -5.873 621 2HA GLY 77 HA1 GLY 77 -12.096 1.360 -5.639 622 H SER 78 HN SER 78 -13.138 3.189 -4.811 623 HA SER 78 HA SER 78 -12.185 4.638 -2.567 624 1HB SER 78 HB2 SER 78 -15.060 4.262 -3.416 625 2HB SER 78 HB1 SER 78 -14.381 5.602 -2.494 626 HG SER 78 HG SER 78 -14.527 5.193 -5.148 627 H ASP 79 HN ASP 79 -12.697 4.428 -0.423 628 HA ASP 79 HA ASP 79 -12.883 1.875 0.756 629 1HB ASP 79 HB2 ASP 79 -13.595 4.566 1.956 630 2HB ASP 79 HB1 ASP 79 -13.354 3.086 2.862 631 H THR 80 HN THR 80 -15.233 4.384 0.139 632 HA THR 80 HA THR 80 -17.351 3.135 1.509 633 HB THR 80 HB THR 80 -18.523 5.125 0.380 634 HG1 THR 80 HG1 THR 80 -17.273 6.396 -0.766 635 1HG2 THR 80 HG21 THR 80 -17.771 5.077 2.736 636 2HG2 THR 80 HG22 THR 80 -17.514 6.662 2.009 637 3HG2 THR 80 HG23 THR 80 -16.154 5.555 2.218 638 H GLU 81 HN GLU 81 -16.018 2.617 -1.544 639 HA GLU 81 HA GLU 81 -18.628 1.922 -2.670 640 1HB GLU 81 HB2 GLU 81 -15.963 2.164 -4.060 641 2HB GLU 81 HB1 GLU 81 -17.450 1.651 -4.842 642 1HG GLU 81 HG2 GLU 81 -18.447 3.847 -4.215 643 2HG GLU 81 HG1 GLU 81 -16.854 4.336 -3.637 644 H LEU 82 HN LEU 82 -15.527 0.546 -1.790 645 HA LEU 82 HA LEU 82 -16.493 -2.067 -2.615 646 1HB LEU 82 HB2 LEU 82 -13.746 -1.072 -1.908 647 2HB LEU 82 HB1 LEU 82 -14.104 -2.781 -1.985 648 HG LEU 82 HG LEU 82 -13.058 -2.190 -4.011 649 1HD1 LEU 82 HD11 LEU 82 -16.004 -2.460 -4.486 650 2HD1 LEU 82 HD12 LEU 82 -14.836 -3.762 -4.263 651 3HD1 LEU 82 HD13 LEU 82 -14.743 -2.725 -5.690 652 1HD2 LEU 82 HD21 LEU 82 -13.890 -0.455 -5.541 653 2HD2 LEU 82 HD22 LEU 82 -13.402 0.232 -3.992 654 3HD2 LEU 82 HD23 LEU 82 -15.114 0.001 -4.355 655 H ALA 83 HN ALA 83 -17.108 -3.542 -1.313 656 HA ALA 83 HA ALA 83 -17.823 -4.602 0.494 657 1HB ALA 83 HB1 ALA 83 -15.415 -5.101 0.739 658 2HB ALA 83 HB2 ALA 83 -16.250 -5.050 2.291 659 3HB ALA 83 HB3 ALA 83 -15.250 -3.689 1.786 660 H ALA 84 HN ALA 84 -19.496 -3.047 0.578 661 HA ALA 84 HA ALA 84 -19.372 -0.961 2.546 662 1HB ALA 84 HB1 ALA 84 -21.747 -0.630 2.020 663 2HB ALA 84 HB2 ALA 84 -21.746 -2.113 1.065 664 3HB ALA 84 HB3 ALA 84 -20.781 -0.731 0.546 665 HA PRO 85 HA PRO 85 -20.271 -3.490 6.097 666 1HB PRO 85 HB2 PRO 85 -21.577 -1.511 7.556 667 2HB PRO 85 HB1 PRO 85 -19.827 -1.743 7.523 668 1HG PRO 85 HG2 PRO 85 -21.514 0.178 5.980 669 2HG PRO 85 HG1 PRO 85 -19.925 0.425 6.729 670 1HD PRO 85 HD2 PRO 85 -20.171 0.053 4.097 671 2HD PRO 85 HD1 PRO 85 -18.806 -0.641 4.998 672 H LYS 86 HN LYS 86 -21.900 -4.840 6.355 673 HA LYS 86 HA LYS 86 -24.284 -4.557 4.841 674 1HB LYS 86 HB2 LYS 86 -23.231 -6.748 5.265 675 2HB LYS 86 HB1 LYS 86 -23.613 -6.597 6.974 676 1HG LYS 86 HG2 LYS 86 -25.977 -6.707 6.497 677 2HG LYS 86 HG1 LYS 86 -25.664 -6.711 4.761 678 1HD LYS 86 HD2 LYS 86 -24.831 -8.852 6.731 679 2HD LYS 86 HD1 LYS 86 -26.157 -8.967 5.574 680 1HE LYS 86 HE2 LYS 86 -24.557 -8.725 3.729 681 2HE LYS 86 HE1 LYS 86 -23.242 -8.606 4.890 682 1HZ LYS 86 HZ1 LYS 86 -23.321 -10.804 4.035 683 2HZ LYS 86 HZ2 LYS 86 -24.948 -10.977 4.341 684 3HZ LYS 86 HZ3 LYS 86 -23.850 -10.893 5.638 685 H SER 87 HN SER 87 -25.446 -2.921 5.443 686 HA SER 87 HA SER 87 -27.004 -3.151 7.875 687 1HB SER 87 HB2 SER 87 -25.465 -0.610 7.237 688 2HB SER 87 HB1 SER 87 -26.591 -0.824 8.573 689 HG SER 87 HG SER 87 -24.718 -2.756 8.540 690 H LYS 88 HN LYS 88 -26.308 -1.567 4.780 691 HA LYS 88 HA LYS 88 -29.038 -0.583 4.606 692 1HB LYS 88 HB2 LYS 88 -26.896 -0.389 2.492 693 2HB LYS 88 HB1 LYS 88 -28.297 0.644 2.722 694 1HG LYS 88 HG2 LYS 88 -27.219 1.382 4.895 695 2HG LYS 88 HG1 LYS 88 -25.759 0.581 4.319 696 1HD LYS 88 HD2 LYS 88 -25.575 2.873 3.724 697 2HD LYS 88 HD1 LYS 88 -25.944 1.991 2.240 698 1HE LYS 88 HE2 LYS 88 -27.282 4.036 2.412 699 2HE LYS 88 HE1 LYS 88 -28.302 2.598 2.450 700 1HZ LYS 88 HZ1 LYS 88 -27.444 4.167 4.834 701 2HZ LYS 88 HZ2 LYS 88 -28.409 2.810 4.895 702 3HZ LYS 88 HZ3 LYS 88 -28.989 4.204 4.151 703 H ASN 89 HN ASN 89 -26.703 -2.752 3.114 704 HA ASN 89 HA ASN 89 -28.820 -4.517 2.309 705 1HB ASN 89 HB2 ASN 89 -28.397 -3.125 0.289 706 2HB ASN 89 HB1 ASN 89 -26.690 -3.567 0.368 707 1HD2 ASN 89 HD21 ASN 89 -29.889 -4.749 -0.130 708 2HD2 ASN 89 HD22 ASN 89 -29.480 -6.196 -0.979 Start of MODEL 13 1 1H GLY 1 HT1 GLY 1 -7.953 0.423 21.178 2 2H GLY 1 HT2 GLY 1 -6.489 0.726 21.972 3 3H GLY 1 HT3 GLY 1 -6.591 0.819 20.271 4 1HA GLY 1 HA1 GLY 1 -7.996 2.596 22.148 5 2HA GLY 1 HA2 GLY 1 -6.537 3.007 21.252 6 H ASP 2 HN ASP 2 -9.258 4.171 21.158 7 HA ASP 2 HA ASP 2 -10.045 3.467 18.425 8 1HB ASP 2 HB2 ASP 2 -11.770 3.733 20.324 9 2HB ASP 2 HB1 ASP 2 -11.423 5.458 20.234 10 H GLY 3 HN GLY 3 -9.720 4.840 16.810 11 1HA GLY 3 HA2 GLY 3 -9.417 7.131 16.028 12 2HA GLY 3 HA1 GLY 3 -8.441 7.410 17.470 13 H GLU 4 HN GLU 4 -8.427 4.606 15.346 14 HA GLU 4 HA GLU 4 -5.592 4.635 15.196 15 1HB GLU 4 HB2 GLU 4 -7.649 3.001 13.690 16 2HB GLU 4 HB1 GLU 4 -5.919 2.677 13.732 17 1HG GLU 4 HG2 GLU 4 -7.715 2.663 16.151 18 2HG GLU 4 HG1 GLU 4 -7.251 1.230 15.238 19 H ALA 5 HN ALA 5 -4.584 6.012 13.997 20 HA ALA 5 HA ALA 5 -5.945 7.123 11.663 21 1HB ALA 5 HB1 ALA 5 -5.143 8.731 13.331 22 2HB ALA 5 HB2 ALA 5 -4.368 8.958 11.763 23 3HB ALA 5 HB3 ALA 5 -3.492 8.164 13.073 24 H GLN 6 HN GLN 6 -5.614 5.725 10.069 25 HA GLN 6 HA GLN 6 -2.977 4.694 9.463 26 1HB GLN 6 HB2 GLN 6 -5.070 3.360 9.121 27 2HB GLN 6 HB1 GLN 6 -5.557 4.515 7.893 28 1HG GLN 6 HG2 GLN 6 -3.498 3.914 6.619 29 2HG GLN 6 HG1 GLN 6 -3.195 2.653 7.811 30 1HE2 GLN 6 HE21 GLN 6 -6.075 2.099 8.067 31 2HE2 GLN 6 HE22 GLN 6 -6.515 1.196 6.667 32 H ARG 7 HN ARG 7 -1.872 5.274 7.610 33 HA ARG 7 HA ARG 7 -2.696 7.822 6.402 34 1HB ARG 7 HB2 ARG 7 -0.316 8.145 5.905 35 2HB ARG 7 HB1 ARG 7 -0.581 7.935 7.626 36 1HG ARG 7 HG2 ARG 7 0.053 5.498 7.265 37 2HG ARG 7 HG1 ARG 7 0.626 6.009 5.673 38 1HD ARG 7 HD2 ARG 7 2.459 6.020 7.253 39 2HD ARG 7 HD1 ARG 7 2.080 7.672 6.758 40 HE ARG 7 HE ARG 7 0.757 6.766 9.166 41 1HH1 ARG 7 HH11 ARG 7 3.655 8.384 7.908 42 2HH1 ARG 7 HH12 ARG 7 3.912 9.285 9.333 43 1HH2 ARG 7 HH21 ARG 7 1.165 7.949 11.126 44 2HH2 ARG 7 HH22 ARG 7 2.541 8.953 11.230 45 H ASP 8 HN ASP 8 -1.857 7.975 4.059 46 HA ASP 8 HA ASP 8 -2.834 5.752 2.560 47 1HB ASP 8 HB2 ASP 8 -0.920 7.910 1.615 48 2HB ASP 8 HB1 ASP 8 -1.656 6.711 0.583 49 H LEU 9 HN LEU 9 -1.667 4.198 1.430 50 HA LEU 9 HA LEU 9 0.541 3.201 2.935 51 1HB LEU 9 HB2 LEU 9 -0.755 2.188 0.399 52 2HB LEU 9 HB1 LEU 9 0.544 1.347 1.208 53 HG LEU 9 HG LEU 9 -0.938 1.197 3.236 54 1HD1 LEU 9 HD11 LEU 9 -3.390 1.350 2.833 55 2HD1 LEU 9 HD12 LEU 9 -3.000 2.247 1.344 56 3HD1 LEU 9 HD13 LEU 9 -2.517 2.875 2.907 57 1HD2 LEU 9 HD21 LEU 9 -2.271 -0.648 2.383 58 2HD2 LEU 9 HD22 LEU 9 -0.601 -0.711 1.814 59 3HD2 LEU 9 HD23 LEU 9 -1.887 -0.162 0.730 60 H VAL 10 HN VAL 10 0.203 4.877 -0.076 61 HA VAL 10 HA VAL 10 2.982 4.604 -0.607 62 HB VAL 10 HB VAL 10 0.837 6.292 -1.945 63 1HG1 VAL 10 HG11 VAL 10 2.973 7.513 -2.150 64 2HG1 VAL 10 HG12 VAL 10 2.470 6.838 -3.702 65 3HG1 VAL 10 HG13 VAL 10 3.740 6.050 -2.766 66 1HG2 VAL 10 HG21 VAL 10 2.425 3.892 -2.830 67 2HG2 VAL 10 HG22 VAL 10 1.222 4.742 -3.799 68 3HG2 VAL 10 HG23 VAL 10 0.730 3.898 -2.338 69 H LYS 11 HN LYS 11 1.058 6.738 1.316 70 HA LYS 11 HA LYS 11 3.191 8.719 1.490 71 1HB LYS 11 HB2 LYS 11 0.814 8.538 3.354 72 2HB LYS 11 HB1 LYS 11 1.918 9.875 3.101 73 1HG LYS 11 HG2 LYS 11 -0.205 8.888 1.230 74 2HG LYS 11 HG1 LYS 11 -0.212 10.378 2.157 75 1HD LYS 11 HD2 LYS 11 1.799 11.079 0.834 76 2HD LYS 11 HD1 LYS 11 1.531 9.655 -0.181 77 1HE LYS 11 HE2 LYS 11 -0.368 11.957 0.264 78 2HE LYS 11 HE1 LYS 11 0.478 11.544 -1.225 79 1HZ LYS 11 HZ1 LYS 11 -0.838 9.467 -1.311 80 2HZ LYS 11 HZ2 LYS 11 -1.816 10.825 -1.333 81 3HZ LYS 11 HZ3 LYS 11 -1.676 9.946 0.083 82 H ALA 12 HN ALA 12 2.911 5.734 2.497 83 HA ALA 12 HA ALA 12 4.375 6.244 4.978 84 1HB ALA 12 HB1 ALA 12 2.918 3.740 4.124 85 2HB ALA 12 HB2 ALA 12 2.349 4.909 5.316 86 3HB ALA 12 HB3 ALA 12 3.797 3.955 5.637 87 H VAL 13 HN VAL 13 4.168 3.676 2.550 88 HA VAL 13 HA VAL 13 6.781 2.747 2.908 89 HB VAL 13 HB VAL 13 4.967 2.419 0.504 90 1HG1 VAL 13 HG11 VAL 13 6.247 0.388 0.044 91 2HG1 VAL 13 HG12 VAL 13 7.337 0.776 1.377 92 3HG1 VAL 13 HG13 VAL 13 7.258 1.834 -0.038 93 1HG2 VAL 13 HG21 VAL 13 3.906 1.686 2.558 94 2HG2 VAL 13 HG22 VAL 13 5.313 0.698 2.955 95 3HG2 VAL 13 HG23 VAL 13 4.321 0.300 1.550 96 H ALA 14 HN ALA 14 5.465 4.699 0.218 97 HA ALA 14 HA ALA 14 7.994 5.039 -1.001 98 1HB ALA 14 HB1 ALA 14 6.889 6.716 -2.427 99 2HB ALA 14 HB2 ALA 14 5.503 6.723 -1.332 100 3HB ALA 14 HB3 ALA 14 5.865 5.283 -2.263 101 H HIS 15 HN HIS 15 6.204 6.750 1.384 102 HA HIS 15 HA HIS 15 7.658 9.184 1.348 103 1HB HIS 15 HB2 HIS 15 5.376 8.858 2.276 104 2HB HIS 15 HB1 HIS 15 6.077 7.961 3.603 105 HD1 HIS 15 HD1 HIS 15 6.236 11.451 2.125 106 HD2 HIS 15 HD2 HIS 15 6.575 9.512 5.770 107 HE1 HIS 15 HE1 HIS 15 6.268 13.271 3.860 108 HE2 HIS 15 HE2 HIS 15 5.956 11.970 5.990 109 H ILE 16 HN ILE 16 8.190 6.088 2.900 110 HA ILE 16 HA ILE 16 10.227 6.837 4.688 111 HB ILE 16 HB ILE 16 9.899 4.233 3.148 112 1HG1 ILE 16 HG12 ILE 16 7.994 4.638 4.605 113 2HG1 ILE 16 HG11 ILE 16 8.967 3.324 5.253 114 1HG2 ILE 16 HG21 ILE 16 12.186 4.423 3.874 115 2HG2 ILE 16 HG22 ILE 16 11.360 3.182 4.817 116 3HG2 ILE 16 HG23 ILE 16 11.669 4.769 5.524 117 1HD1 ILE 16 HD11 ILE 16 8.963 6.173 6.238 118 2HD1 ILE 16 HD12 ILE 16 9.920 4.849 6.904 119 3HD1 ILE 16 HD13 ILE 16 8.162 4.806 7.010 120 H LEU 17 HN LEU 17 10.340 5.750 1.322 121 HA LEU 17 HA LEU 17 13.139 6.058 0.991 122 1HB LEU 17 HB2 LEU 17 10.951 6.112 -1.091 123 2HB LEU 17 HB1 LEU 17 12.662 5.969 -1.436 124 HG LEU 17 HG LEU 17 10.974 3.946 0.027 125 1HD1 LEU 17 HD11 LEU 17 12.194 3.892 -2.724 126 2HD1 LEU 17 HD12 LEU 17 10.477 4.040 -2.349 127 3HD1 LEU 17 HD13 LEU 17 11.342 2.555 -1.953 128 1HD2 LEU 17 HD21 LEU 17 13.878 3.843 -0.794 129 2HD2 LEU 17 HD22 LEU 17 12.959 2.509 -0.095 130 3HD2 LEU 17 HD23 LEU 17 13.270 3.961 0.857 131 H GLY 18 HN GLY 18 10.399 8.127 0.380 132 1HA GLY 18 HA2 GLY 18 10.783 10.538 0.870 133 2HA GLY 18 HA1 GLY 18 12.273 10.377 -0.054 134 H ILE 19 HN ILE 19 9.265 8.839 -0.942 135 HA ILE 19 HA ILE 19 8.968 10.722 -3.115 136 HB ILE 19 HB ILE 19 8.098 8.600 -4.364 137 1HG1 ILE 19 HG12 ILE 19 10.230 7.412 -2.578 138 2HG1 ILE 19 HG11 ILE 19 8.520 7.007 -2.571 139 1HG2 ILE 19 HG21 ILE 19 9.787 10.068 -5.246 140 2HG2 ILE 19 HG22 ILE 19 10.316 8.403 -5.458 141 3HG2 ILE 19 HG23 ILE 19 11.002 9.385 -4.158 142 1HD1 ILE 19 HD11 ILE 19 10.435 6.520 -4.841 143 2HD1 ILE 19 HD12 ILE 19 8.727 6.080 -4.818 144 3HD1 ILE 19 HD13 ILE 19 9.854 5.311 -3.696 145 H ARG 20 HN ARG 20 6.984 10.865 -3.957 146 HA ARG 20 HA ARG 20 4.665 9.559 -2.745 147 1HB ARG 20 HB2 ARG 20 5.100 11.542 -1.318 148 2HB ARG 20 HB1 ARG 20 5.061 12.543 -2.769 149 1HG ARG 20 HG2 ARG 20 2.717 11.651 -3.120 150 2HG ARG 20 HG1 ARG 20 2.811 11.073 -1.455 151 1HD ARG 20 HD2 ARG 20 1.760 13.225 -1.449 152 2HD ARG 20 HD1 ARG 20 3.370 13.373 -0.743 153 HE ARG 20 HE ARG 20 3.711 13.962 -3.398 154 1HH1 ARG 20 HH11 ARG 20 1.717 15.263 -0.797 155 2HH1 ARG 20 HH12 ARG 20 1.694 16.847 -1.378 156 1HH2 ARG 20 HH21 ARG 20 3.682 16.072 -4.284 157 2HH2 ARG 20 HH22 ARG 20 2.868 17.343 -3.476 158 H ASP 21 HN ASP 21 5.997 12.085 -4.750 159 HA ASP 21 HA ASP 21 3.772 12.257 -6.565 160 1HB ASP 21 HB2 ASP 21 6.597 13.255 -7.000 161 2HB ASP 21 HB1 ASP 21 5.131 13.825 -7.790 162 H LEU 22 HN LEU 22 6.919 10.760 -6.557 163 HA LEU 22 HA LEU 22 7.766 9.027 -7.699 164 1HB LEU 22 HB2 LEU 22 4.866 8.639 -8.322 165 2HB LEU 22 HB1 LEU 22 6.048 7.746 -9.257 166 HG LEU 22 HG LEU 22 5.151 6.423 -7.467 167 1HD1 LEU 22 HD11 LEU 22 7.420 6.037 -8.203 168 2HD1 LEU 22 HD12 LEU 22 7.305 5.716 -6.464 169 3HD1 LEU 22 HD13 LEU 22 8.022 7.220 -7.055 170 1HD2 LEU 22 HD21 LEU 22 4.616 8.145 -5.827 171 2HD2 LEU 22 HD22 LEU 22 6.327 8.477 -5.589 172 3HD2 LEU 22 HD23 LEU 22 5.657 6.919 -5.106 173 H ALA 23 HN ALA 23 7.757 11.635 -8.589 174 HA ALA 23 HA ALA 23 7.332 11.642 -11.406 175 1HB ALA 23 HB1 ALA 23 8.662 13.704 -9.638 176 2HB ALA 23 HB2 ALA 23 6.966 13.691 -10.124 177 3HB ALA 23 HB3 ALA 23 8.227 13.933 -11.332 178 H GLY 24 HN GLY 24 8.643 10.032 -12.107 179 1HA GLY 24 HA2 GLY 24 10.481 9.518 -13.342 180 2HA GLY 24 HA1 GLY 24 11.435 10.779 -12.527 181 H ILE 25 HN ILE 25 9.503 8.323 -11.023 182 HA ILE 25 HA ILE 25 11.949 6.987 -10.098 183 HB ILE 25 HB ILE 25 9.229 7.088 -8.748 184 1HG1 ILE 25 HG12 ILE 25 10.387 9.266 -8.653 185 2HG1 ILE 25 HG11 ILE 25 10.231 8.523 -7.067 186 1HG2 ILE 25 HG21 ILE 25 10.411 5.014 -8.284 187 2HG2 ILE 25 HG22 ILE 25 10.341 6.024 -6.839 188 3HG2 ILE 25 HG23 ILE 25 11.837 5.916 -7.769 189 1HD1 ILE 25 HD11 ILE 25 12.727 8.573 -8.763 190 2HD1 ILE 25 HD12 ILE 25 12.564 7.818 -7.174 191 3HD1 ILE 25 HD13 ILE 25 12.400 9.567 -7.338 192 H ASN 26 HN ASN 26 12.019 4.833 -10.438 193 HA ASN 26 HA ASN 26 10.434 3.802 -12.531 194 1HB ASN 26 HB2 ASN 26 12.401 2.438 -10.699 195 2HB ASN 26 HB1 ASN 26 11.586 1.611 -12.022 196 1HD2 ASN 26 HD21 ASN 26 14.427 2.256 -11.518 197 2HD2 ASN 26 HD22 ASN 26 14.962 3.069 -12.943 198 H LEU 27 HN LEU 27 8.396 3.450 -12.311 199 HA LEU 27 HA LEU 27 7.147 2.406 -9.917 200 1HB LEU 27 HB2 LEU 27 6.060 2.856 -12.708 201 2HB LEU 27 HB1 LEU 27 5.099 2.452 -11.301 202 HG LEU 27 HG LEU 27 6.664 5.006 -11.670 203 1HD1 LEU 27 HD11 LEU 27 4.732 4.863 -13.158 204 2HD1 LEU 27 HD12 LEU 27 4.473 6.057 -11.886 205 3HD1 LEU 27 HD13 LEU 27 3.696 4.476 -11.784 206 1HD2 LEU 27 HD21 LEU 27 5.484 5.734 -9.664 207 2HD2 LEU 27 HD22 LEU 27 6.494 4.323 -9.341 208 3HD2 LEU 27 HD23 LEU 27 4.747 4.137 -9.516 209 H ASP 28 HN ASP 28 8.609 1.341 -12.677 210 HA ASP 28 HA ASP 28 7.366 -1.197 -13.100 211 1HB ASP 28 HB2 ASP 28 8.537 0.135 -14.836 212 2HB ASP 28 HB1 ASP 28 10.049 -0.128 -13.985 213 H SER 29 HN SER 29 9.627 -0.051 -10.788 214 HA SER 29 HA SER 29 11.007 -2.551 -10.599 215 1HB SER 29 HB2 SER 29 11.240 -0.019 -8.985 216 2HB SER 29 HB1 SER 29 12.282 -1.433 -8.846 217 HG SER 29 HG SER 29 12.494 -1.049 -11.275 218 H SER 30 HN SER 30 10.389 -4.121 -9.411 219 HA SER 30 HA SER 30 8.278 -4.163 -7.562 220 1HB SER 30 HB2 SER 30 10.695 -5.925 -7.886 221 2HB SER 30 HB1 SER 30 9.269 -6.391 -6.986 222 HG SER 30 HG SER 30 9.797 -6.719 -9.500 223 H LEU 31 HN LEU 31 8.438 -4.294 -5.250 224 HA LEU 31 HA LEU 31 10.198 -2.534 -3.990 225 1HB LEU 31 HB2 LEU 31 8.698 -4.791 -2.641 226 2HB LEU 31 HB1 LEU 31 9.369 -3.361 -1.908 227 HG LEU 31 HG LEU 31 7.065 -3.370 -3.856 228 1HD1 LEU 31 HD11 LEU 31 5.727 -2.687 -1.946 229 2HD1 LEU 31 HD12 LEU 31 7.133 -2.878 -0.894 230 3HD1 LEU 31 HD13 LEU 31 6.443 -4.280 -1.707 231 1HD2 LEU 31 HD21 LEU 31 8.405 -1.352 -4.043 232 2HD2 LEU 31 HD22 LEU 31 8.296 -1.117 -2.292 233 3HD2 LEU 31 HD23 LEU 31 6.839 -1.024 -3.293 234 H ALA 32 HN ALA 32 10.629 -5.838 -4.816 235 HA ALA 32 HA ALA 32 12.745 -6.319 -2.995 236 1HB ALA 32 HB1 ALA 32 11.372 -8.102 -3.999 237 2HB ALA 32 HB2 ALA 32 13.106 -8.391 -4.136 238 3HB ALA 32 HB3 ALA 32 12.187 -7.829 -5.535 239 H ASP 33 HN ASP 33 12.510 -4.822 -6.087 240 HA ASP 33 HA ASP 33 15.224 -5.193 -6.823 241 1HB ASP 33 HB2 ASP 33 13.506 -4.669 -8.519 242 2HB ASP 33 HB1 ASP 33 13.236 -3.102 -7.767 243 H LEU 34 HN LEU 34 13.254 -2.844 -5.301 244 HA LEU 34 HA LEU 34 15.107 -0.825 -4.631 245 1HB LEU 34 HB2 LEU 34 12.522 -1.777 -3.396 246 2HB LEU 34 HB1 LEU 34 13.423 -0.449 -2.718 247 HG LEU 34 HG LEU 34 12.844 1.004 -4.513 248 1HD1 LEU 34 HD11 LEU 34 11.804 -1.390 -6.040 249 2HD1 LEU 34 HD12 LEU 34 13.297 -0.529 -6.409 250 3HD1 LEU 34 HD13 LEU 34 11.744 0.293 -6.567 251 1HD2 LEU 34 HD21 LEU 34 11.017 0.602 -3.026 252 2HD2 LEU 34 HD22 LEU 34 10.611 -0.859 -3.929 253 3HD2 LEU 34 HD23 LEU 34 10.397 0.723 -4.695 254 H GLY 35 HN GLY 35 13.790 -3.553 -2.791 255 1HA GLY 35 HA2 GLY 35 15.193 -5.127 -1.710 256 2HA GLY 35 HA1 GLY 35 16.403 -3.872 -1.518 257 H LEU 36 HN LEU 36 12.986 -4.371 -0.581 258 HA LEU 36 HA LEU 36 13.668 -3.165 1.951 259 1HB LEU 36 HB2 LEU 36 11.324 -3.261 2.571 260 2HB LEU 36 HB1 LEU 36 11.476 -2.592 0.973 261 HG LEU 36 HG LEU 36 10.828 -4.948 0.160 262 1HD1 LEU 36 HD11 LEU 36 11.047 -6.154 2.267 263 2HD1 LEU 36 HD12 LEU 36 9.385 -6.231 1.682 264 3HD1 LEU 36 HD13 LEU 36 9.806 -5.134 2.998 265 1HD2 LEU 36 HD21 LEU 36 8.502 -4.396 0.261 266 2HD2 LEU 36 HD22 LEU 36 9.435 -2.892 0.073 267 3HD2 LEU 36 HD23 LEU 36 8.776 -3.340 1.640 268 H ASP 37 HN ASP 37 14.097 -4.162 3.706 269 HA ASP 37 HA ASP 37 13.345 -6.998 3.980 270 1HB ASP 37 HB2 ASP 37 15.726 -6.889 3.284 271 2HB ASP 37 HB1 ASP 37 16.076 -5.909 4.703 272 H SER 38 HN SER 38 13.832 -3.884 5.359 273 HA SER 38 HA SER 38 13.401 -5.094 7.978 274 1HB SER 38 HB2 SER 38 14.653 -3.151 8.939 275 2HB SER 38 HB1 SER 38 15.612 -4.244 7.936 276 HG SER 38 HG SER 38 16.033 -2.615 6.676 277 H LEU 39 HN LEU 39 13.329 -1.664 7.346 278 HA LEU 39 HA LEU 39 11.072 -1.302 9.000 279 1HB LEU 39 HB2 LEU 39 12.730 0.465 8.696 280 2HB LEU 39 HB1 LEU 39 12.240 0.643 7.019 281 HG LEU 39 HG LEU 39 9.946 1.235 7.836 282 1HD1 LEU 39 HD11 LEU 39 9.699 2.015 10.137 283 2HD1 LEU 39 HD12 LEU 39 11.311 1.403 10.505 284 3HD1 LEU 39 HD13 LEU 39 10.030 0.286 10.037 285 1HD2 LEU 39 HD21 LEU 39 11.493 2.932 7.073 286 2HD2 LEU 39 HD22 LEU 39 12.181 3.060 8.700 287 3HD2 LEU 39 HD23 LEU 39 10.501 3.519 8.402 288 H MET 40 HN MET 40 11.411 -1.046 5.486 289 HA MET 40 HA MET 40 8.653 -0.468 5.067 290 1HB MET 40 HB2 MET 40 10.791 -1.493 3.213 291 2HB MET 40 HB1 MET 40 9.144 -1.217 2.670 292 1HG MET 40 HG2 MET 40 9.344 1.145 3.318 293 2HG MET 40 HG1 MET 40 10.995 0.854 3.850 294 1HE MET 40 HE1 MET 40 12.873 0.186 0.498 295 2HE MET 40 HE2 MET 40 12.232 -1.005 1.632 296 3HE MET 40 HE3 MET 40 13.031 0.447 2.234 297 H GLY 41 HN GLY 41 10.313 -3.458 5.509 298 1HA GLY 41 HA2 GLY 41 8.187 -5.111 4.570 299 2HA GLY 41 HA1 GLY 41 9.498 -5.621 5.626 300 H VAL 42 HN VAL 42 8.899 -3.492 7.558 301 HA VAL 42 HA VAL 42 6.773 -4.858 8.986 302 HB VAL 42 HB VAL 42 8.492 -2.509 9.862 303 1HG1 VAL 42 HG11 VAL 42 6.403 -2.576 11.067 304 2HG1 VAL 42 HG12 VAL 42 7.736 -3.017 12.133 305 3HG1 VAL 42 HG13 VAL 42 6.666 -4.267 11.492 306 1HG2 VAL 42 HG21 VAL 42 8.766 -5.439 10.514 307 2HG2 VAL 42 HG22 VAL 42 9.699 -4.134 11.252 308 3HG2 VAL 42 HG23 VAL 42 9.867 -4.468 9.529 309 H GLU 43 HN GLU 43 7.461 -1.674 7.698 310 HA GLU 43 HA GLU 43 5.265 -0.241 8.508 311 1HB GLU 43 HB2 GLU 43 7.234 0.629 7.217 312 2HB GLU 43 HB1 GLU 43 6.551 -0.103 5.774 313 1HG GLU 43 HG2 GLU 43 5.925 2.187 5.689 314 2HG GLU 43 HG1 GLU 43 4.511 1.269 6.178 315 H VAL 44 HN VAL 44 5.629 -2.276 5.644 316 HA VAL 44 HA VAL 44 3.067 -1.797 4.576 317 HB VAL 44 HB VAL 44 4.964 -4.133 4.151 318 1HG1 VAL 44 HG11 VAL 44 2.688 -4.820 3.654 319 2HG1 VAL 44 HG12 VAL 44 3.657 -4.663 2.180 320 3HG1 VAL 44 HG13 VAL 44 2.485 -3.405 2.612 321 1HG2 VAL 44 HG21 VAL 44 5.802 -1.986 3.382 322 2HG2 VAL 44 HG22 VAL 44 4.320 -1.724 2.460 323 3HG2 VAL 44 HG23 VAL 44 5.417 -3.032 2.015 324 H ARG 45 HN ARG 45 4.281 -4.331 6.683 325 HA ARG 45 HA ARG 45 1.843 -5.737 6.799 326 1HB ARG 45 HB2 ARG 45 4.311 -5.817 8.497 327 2HB ARG 45 HB1 ARG 45 2.907 -6.790 8.904 328 1HG ARG 45 HG2 ARG 45 3.025 -7.868 6.702 329 2HG ARG 45 HG1 ARG 45 4.441 -6.890 6.313 330 1HD ARG 45 HD2 ARG 45 4.271 -8.796 8.635 331 2HD ARG 45 HD1 ARG 45 4.964 -9.201 7.064 332 HE ARG 45 HE ARG 45 6.297 -6.991 7.726 333 1HH1 ARG 45 HH11 ARG 45 5.714 -10.012 9.501 334 2HH1 ARG 45 HH12 ARG 45 7.191 -9.961 10.358 335 1HH2 ARG 45 HH21 ARG 45 8.371 -6.978 8.856 336 2HH2 ARG 45 HH22 ARG 45 8.742 -8.184 9.974 337 H GLN 46 HN GLN 46 3.164 -3.160 8.782 338 HA GLN 46 HA GLN 46 1.031 -3.348 10.638 339 1HB GLN 46 HB2 GLN 46 3.091 -1.209 10.188 340 2HB GLN 46 HB1 GLN 46 1.843 -1.081 11.424 341 1HG GLN 46 HG2 GLN 46 2.635 -3.181 12.414 342 2HG GLN 46 HG1 GLN 46 3.903 -3.255 11.199 343 1HE2 GLN 46 HE21 GLN 46 3.980 -3.088 14.115 344 2HE2 GLN 46 HE22 GLN 46 4.998 -1.749 14.478 345 H ILE 47 HN ILE 47 1.053 -2.229 7.541 346 HA ILE 47 HA ILE 47 -1.248 -0.482 8.045 347 HB ILE 47 HB ILE 47 0.089 -1.123 5.412 348 1HG1 ILE 47 HG12 ILE 47 0.310 1.368 7.085 349 2HG1 ILE 47 HG11 ILE 47 1.555 0.119 7.009 350 1HG2 ILE 47 HG21 ILE 47 -1.192 0.844 4.603 351 2HG2 ILE 47 HG22 ILE 47 -1.922 1.003 6.200 352 3HG2 ILE 47 HG23 ILE 47 -2.258 -0.421 5.219 353 1HD1 ILE 47 HD11 ILE 47 0.632 1.885 4.741 354 2HD1 ILE 47 HD12 ILE 47 1.813 0.581 4.601 355 3HD1 ILE 47 HD13 ILE 47 2.174 1.981 5.597 356 H LEU 48 HN LEU 48 -0.327 -3.310 6.088 357 HA LEU 48 HA LEU 48 -3.036 -3.767 5.416 358 1HB LEU 48 HB2 LEU 48 -0.587 -5.431 4.914 359 2HB LEU 48 HB1 LEU 48 -2.188 -6.012 4.513 360 HG LEU 48 HG LEU 48 -1.279 -5.187 2.514 361 1HD1 LEU 48 HD11 LEU 48 -2.731 -3.357 1.879 362 2HD1 LEU 48 HD12 LEU 48 -3.076 -3.049 3.578 363 3HD1 LEU 48 HD13 LEU 48 -3.592 -4.571 2.836 364 1HD2 LEU 48 HD21 LEU 48 -0.375 -2.921 2.220 365 2HD2 LEU 48 HD22 LEU 48 0.563 -3.861 3.382 366 3HD2 LEU 48 HD23 LEU 48 -0.570 -2.635 3.949 367 H GLU 49 HN GLU 49 -0.885 -5.451 7.683 368 HA GLU 49 HA GLU 49 -2.858 -7.355 8.420 369 1HB GLU 49 HB2 GLU 49 -0.522 -7.853 8.732 370 2HB GLU 49 HB1 GLU 49 -0.322 -6.462 9.782 371 1HG GLU 49 HG2 GLU 49 -2.056 -7.606 11.287 372 2HG GLU 49 HG1 GLU 49 -1.708 -9.052 10.336 373 H ARG 50 HN ARG 50 -1.532 -4.539 10.121 374 HA ARG 50 HA ARG 50 -3.151 -4.804 12.411 375 1HB ARG 50 HB2 ARG 50 -1.862 -2.317 11.297 376 2HB ARG 50 HB1 ARG 50 -2.573 -2.442 12.890 377 1HG ARG 50 HG2 ARG 50 -0.223 -4.080 11.937 378 2HG ARG 50 HG1 ARG 50 -0.082 -2.567 12.824 379 1HD ARG 50 HD2 ARG 50 0.161 -4.179 14.480 380 2HD ARG 50 HD1 ARG 50 -1.539 -3.741 14.603 381 HE ARG 50 HE ARG 50 -0.626 -6.137 13.149 382 1HH1 ARG 50 HH11 ARG 50 -2.857 -4.619 15.486 383 2HH1 ARG 50 HH12 ARG 50 -3.583 -6.095 15.930 384 1HH2 ARG 50 HH21 ARG 50 -1.604 -8.081 13.753 385 2HH2 ARG 50 HH22 ARG 50 -2.869 -8.150 14.891 386 H GLU 51 HN GLU 51 -3.522 -2.463 9.779 387 HA GLU 51 HA GLU 51 -6.025 -1.473 10.716 388 1HB GLU 51 HB2 GLU 51 -4.569 -1.151 8.133 389 2HB GLU 51 HB1 GLU 51 -6.058 -0.329 8.518 390 1HG GLU 51 HG2 GLU 51 -3.592 -0.053 10.212 391 2HG GLU 51 HG1 GLU 51 -4.001 1.039 8.886 392 H HIS 52 HN HIS 52 -5.132 -3.529 7.960 393 HA HIS 52 HA HIS 52 -7.968 -3.584 7.213 394 1HB HIS 52 HB2 HIS 52 -5.638 -4.620 5.571 395 2HB HIS 52 HB1 HIS 52 -7.329 -4.433 5.115 396 HD1 HIS 52 HD1 HIS 52 -4.307 -2.249 5.905 397 HD2 HIS 52 HD2 HIS 52 -8.014 -2.084 4.030 398 HE1 HIS 52 HE1 HIS 52 -4.306 -0.139 4.614 399 HE2 HIS 52 HE2 HIS 52 -6.342 -0.355 3.182 400 H ASP 53 HN ASP 53 -5.650 -5.551 8.744 401 HA ASP 53 HA ASP 53 -5.649 -7.594 9.566 402 1HB ASP 53 HB2 ASP 53 -7.996 -7.273 10.218 403 2HB ASP 53 HB1 ASP 53 -8.538 -7.731 8.617 404 H LEU 54 HN LEU 54 -5.058 -6.911 6.734 405 HA LEU 54 HA LEU 54 -5.175 -9.543 5.451 406 1HB LEU 54 HB2 LEU 54 -4.347 -6.831 4.447 407 2HB LEU 54 HB1 LEU 54 -3.825 -8.271 3.611 408 HG LEU 54 HG LEU 54 -6.198 -8.845 3.177 409 1HD1 LEU 54 HD11 LEU 54 -7.908 -7.106 3.516 410 2HD1 LEU 54 HD12 LEU 54 -6.691 -6.187 4.428 411 3HD1 LEU 54 HD13 LEU 54 -7.253 -7.733 5.038 412 1HD2 LEU 54 HD21 LEU 54 -6.577 -7.108 1.504 413 2HD2 LEU 54 HD22 LEU 54 -4.899 -7.651 1.520 414 3HD2 LEU 54 HD23 LEU 54 -5.334 -6.112 2.262 415 H VAL 55 HN VAL 55 -3.718 -10.872 6.212 416 HA VAL 55 HA VAL 55 -1.141 -9.935 7.049 417 HB VAL 55 HB VAL 55 -2.160 -12.784 6.763 418 1HG1 VAL 55 HG11 VAL 55 0.270 -12.694 6.674 419 2HG1 VAL 55 HG12 VAL 55 -0.271 -13.409 8.192 420 3HG1 VAL 55 HG13 VAL 55 0.301 -11.739 8.155 421 1HG2 VAL 55 HG21 VAL 55 -3.423 -11.520 8.424 422 2HG2 VAL 55 HG22 VAL 55 -1.923 -11.020 9.205 423 3HG2 VAL 55 HG23 VAL 55 -2.396 -12.719 9.209 424 H LEU 56 HN LEU 56 -0.203 -9.068 5.295 425 HA LEU 56 HA LEU 56 0.433 -10.890 3.082 426 1HB LEU 56 HB2 LEU 56 0.624 -7.895 3.127 427 2HB LEU 56 HB1 LEU 56 0.872 -8.921 1.739 428 HG LEU 56 HG LEU 56 -1.778 -8.453 3.123 429 1HD1 LEU 56 HD11 LEU 56 -0.778 -7.602 0.418 430 2HD1 LEU 56 HD12 LEU 56 -1.050 -6.555 1.812 431 3HD1 LEU 56 HD13 LEU 56 -2.413 -7.363 1.037 432 1HD2 LEU 56 HD21 LEU 56 -1.624 -10.736 2.264 433 2HD2 LEU 56 HD22 LEU 56 -1.150 -10.118 0.681 434 3HD2 LEU 56 HD23 LEU 56 -2.759 -9.774 1.318 435 HA PRO 57 HA PRO 57 4.336 -10.470 5.265 436 1HB PRO 57 HB2 PRO 57 5.002 -13.012 4.075 437 2HB PRO 57 HB1 PRO 57 4.712 -12.642 5.780 438 1HG PRO 57 HG2 PRO 57 3.026 -14.175 4.288 439 2HG PRO 57 HG1 PRO 57 2.451 -13.147 5.616 440 1HD PRO 57 HD2 PRO 57 2.474 -12.612 2.670 441 2HD PRO 57 HD1 PRO 57 1.163 -12.358 3.850 442 H ILE 58 HN ILE 58 6.657 -10.954 4.504 443 HA ILE 58 HA ILE 58 7.109 -9.060 2.479 444 HB ILE 58 HB ILE 58 9.000 -10.770 4.090 445 1HG1 ILE 58 HG12 ILE 58 9.814 -8.430 4.768 446 2HG1 ILE 58 HG11 ILE 58 8.402 -7.870 3.865 447 1HG2 ILE 58 HG21 ILE 58 10.077 -10.642 1.937 448 2HG2 ILE 58 HG22 ILE 58 10.926 -9.628 3.105 449 3HG2 ILE 58 HG23 ILE 58 9.869 -8.893 1.903 450 1HD1 ILE 58 HD11 ILE 58 8.004 -7.937 6.269 451 2HD1 ILE 58 HD12 ILE 58 8.315 -9.673 6.256 452 3HD1 ILE 58 HD13 ILE 58 6.932 -9.018 5.376 453 H ARG 59 HN ARG 59 7.323 -12.530 2.405 454 HA ARG 59 HA ARG 59 8.562 -12.752 -0.083 455 1HB ARG 59 HB2 ARG 59 7.801 -15.043 -0.238 456 2HB ARG 59 HB1 ARG 59 8.263 -14.710 1.414 457 1HG ARG 59 HG2 ARG 59 5.406 -14.722 0.441 458 2HG ARG 59 HG1 ARG 59 6.236 -16.114 1.125 459 1HD ARG 59 HD2 ARG 59 5.897 -13.502 2.560 460 2HD ARG 59 HD1 ARG 59 4.771 -14.851 2.716 461 HE ARG 59 HE ARG 59 7.632 -15.019 3.457 462 1HH1 ARG 59 HH11 ARG 59 4.209 -15.841 4.164 463 2HH1 ARG 59 HH12 ARG 59 4.569 -16.516 5.670 464 1HH2 ARG 59 HH21 ARG 59 8.072 -16.040 5.479 465 2HH2 ARG 59 HH22 ARG 59 6.811 -16.635 6.453 466 H GLU 60 HN GLU 60 5.353 -11.723 0.577 467 HA GLU 60 HA GLU 60 4.577 -11.997 -2.245 468 1HB GLU 60 HB2 GLU 60 2.999 -11.021 0.150 469 2HB GLU 60 HB1 GLU 60 2.365 -11.230 -1.473 470 1HG GLU 60 HG2 GLU 60 3.438 -13.435 0.259 471 2HG GLU 60 HG1 GLU 60 1.734 -13.033 0.069 472 H VAL 61 HN VAL 61 5.011 -9.648 0.344 473 HA VAL 61 HA VAL 61 4.328 -7.299 -0.963 474 HB VAL 61 HB VAL 61 6.327 -7.714 1.285 475 1HG1 VAL 61 HG11 VAL 61 4.991 -5.159 0.394 476 2HG1 VAL 61 HG12 VAL 61 6.705 -5.543 0.233 477 3HG1 VAL 61 HG13 VAL 61 5.990 -5.354 1.833 478 1HG2 VAL 61 HG21 VAL 61 3.419 -6.941 1.309 479 2HG2 VAL 61 HG22 VAL 61 4.468 -7.024 2.724 480 3HG2 VAL 61 HG23 VAL 61 4.094 -8.490 1.813 481 H ARG 62 HN ARG 62 7.356 -9.021 -1.013 482 HA ARG 62 HA ARG 62 8.877 -6.947 -2.057 483 1HB ARG 62 HB2 ARG 62 9.249 -9.815 -1.736 484 2HB ARG 62 HB1 ARG 62 10.298 -9.094 -2.928 485 1HG ARG 62 HG2 ARG 62 10.917 -7.399 -1.164 486 2HG ARG 62 HG1 ARG 62 9.995 -8.381 -0.024 487 1HD ARG 62 HD2 ARG 62 11.431 -10.288 -0.472 488 2HD ARG 62 HD1 ARG 62 12.333 -9.344 -1.659 489 HE ARG 62 HE ARG 62 12.793 -7.828 0.362 490 1HH1 ARG 62 HH11 ARG 62 12.547 -11.353 0.527 491 2HH1 ARG 62 HH12 ARG 62 13.586 -11.473 1.884 492 1HH2 ARG 62 HH21 ARG 62 14.201 -8.002 2.117 493 2HH2 ARG 62 HH22 ARG 62 14.580 -9.503 2.831 494 H GLN 63 HN GLN 63 6.553 -8.830 -3.772 495 HA GLN 63 HA GLN 63 7.863 -8.107 -6.293 496 1HB GLN 63 HB2 GLN 63 5.425 -9.844 -5.943 497 2HB GLN 63 HB1 GLN 63 6.162 -9.437 -7.449 498 1HG GLN 63 HG2 GLN 63 6.922 -11.624 -6.983 499 2HG GLN 63 HG1 GLN 63 8.282 -10.540 -6.742 500 1HE2 GLN 63 HE21 GLN 63 5.644 -11.059 -4.475 501 2HE2 GLN 63 HE22 GLN 63 6.611 -11.861 -3.287 502 H LEU 64 HN LEU 64 5.838 -6.746 -4.192 503 HA LEU 64 HA LEU 64 3.903 -5.648 -5.963 504 1HB LEU 64 HB2 LEU 64 4.890 -4.427 -3.385 505 2HB LEU 64 HB1 LEU 64 3.366 -4.132 -4.184 506 HG LEU 64 HG LEU 64 4.215 -6.555 -2.656 507 1HD1 LEU 64 HD11 LEU 64 2.297 -5.999 -1.233 508 2HD1 LEU 64 HD12 LEU 64 2.016 -4.558 -2.213 509 3HD1 LEU 64 HD13 LEU 64 3.508 -4.718 -1.287 510 1HD2 LEU 64 HD21 LEU 64 2.959 -7.318 -4.595 511 2HD2 LEU 64 HD22 LEU 64 1.668 -6.172 -4.227 512 3HD2 LEU 64 HD23 LEU 64 1.999 -7.510 -3.129 513 H THR 65 HN THR 65 3.967 -3.515 -6.780 514 HA THR 65 HA THR 65 6.637 -2.451 -7.160 515 HB THR 65 HB THR 65 5.417 -1.145 -8.925 516 HG1 THR 65 HG1 THR 65 3.191 -2.213 -9.298 517 1HG2 THR 65 HG21 THR 65 5.018 -3.088 -10.401 518 2HG2 THR 65 HG22 THR 65 5.044 -4.141 -8.965 519 3HG2 THR 65 HG23 THR 65 6.497 -3.281 -9.450 520 H LEU 66 HN LEU 66 6.387 0.104 -7.289 521 HA LEU 66 HA LEU 66 6.053 0.785 -4.551 522 1HB LEU 66 HB2 LEU 66 7.706 1.759 -6.258 523 2HB LEU 66 HB1 LEU 66 6.372 2.707 -6.868 524 HG LEU 66 HG LEU 66 7.875 3.995 -5.397 525 1HD1 LEU 66 HD11 LEU 66 6.172 4.967 -3.937 526 2HD1 LEU 66 HD12 LEU 66 5.146 3.559 -4.291 527 3HD1 LEU 66 HD13 LEU 66 5.578 4.675 -5.585 528 1HD2 LEU 66 HD21 LEU 66 8.581 2.210 -3.902 529 2HD2 LEU 66 HD22 LEU 66 6.946 2.102 -3.246 530 3HD2 LEU 66 HD23 LEU 66 7.903 3.561 -2.989 531 H ARG 67 HN ARG 67 4.100 1.433 -7.415 532 HA ARG 67 HA ARG 67 2.195 2.858 -5.782 533 1HB ARG 67 HB2 ARG 67 2.277 2.206 -8.695 534 2HB ARG 67 HB1 ARG 67 0.870 2.934 -7.933 535 1HG ARG 67 HG2 ARG 67 3.637 4.118 -7.952 536 2HG ARG 67 HG1 ARG 67 2.315 4.576 -9.029 537 1HD ARG 67 HD2 ARG 67 0.975 5.037 -6.892 538 2HD ARG 67 HD1 ARG 67 2.507 4.911 -6.055 539 HE ARG 67 HE ARG 67 3.154 6.936 -6.835 540 1HH1 ARG 67 HH11 ARG 67 0.278 5.914 -8.656 541 2HH1 ARG 67 HH12 ARG 67 0.092 7.346 -9.525 542 1HH2 ARG 67 HH21 ARG 67 2.842 9.058 -8.009 543 2HH2 ARG 67 HH22 ARG 67 1.562 9.163 -9.115 544 H LYS 68 HN LYS 68 2.799 -0.322 -6.454 545 HA LYS 68 HA LYS 68 0.257 -1.512 -6.673 546 1HB LYS 68 HB2 LYS 68 2.515 -2.643 -6.823 547 2HB LYS 68 HB1 LYS 68 2.578 -2.566 -5.074 548 1HG LYS 68 HG2 LYS 68 1.844 -4.721 -5.537 549 2HG LYS 68 HG1 LYS 68 0.379 -3.815 -5.121 550 1HD LYS 68 HD2 LYS 68 -0.117 -3.508 -7.490 551 2HD LYS 68 HD1 LYS 68 1.387 -4.380 -7.858 552 1HE LYS 68 HE2 LYS 68 -0.847 -5.553 -6.273 553 2HE LYS 68 HE1 LYS 68 -0.698 -5.763 -8.027 554 1HZ LYS 68 HZ1 LYS 68 0.280 -7.648 -6.857 555 2HZ LYS 68 HZ2 LYS 68 1.255 -6.646 -5.953 556 3HZ LYS 68 HZ3 LYS 68 1.516 -6.771 -7.610 557 H LEU 69 HN LEU 69 2.077 -0.219 -4.099 558 HA LEU 69 HA LEU 69 0.730 -1.208 -1.860 559 1HB LEU 69 HB2 LEU 69 2.239 1.359 -2.237 560 2HB LEU 69 HB1 LEU 69 1.404 1.047 -0.737 561 HG LEU 69 HG LEU 69 3.689 0.515 -0.425 562 1HD1 LEU 69 HD11 LEU 69 3.619 -1.837 0.199 563 2HD1 LEU 69 HD12 LEU 69 2.127 -2.026 -0.720 564 3HD1 LEU 69 HD13 LEU 69 2.165 -0.964 0.685 565 1HD2 LEU 69 HD21 LEU 69 3.485 -1.305 -2.814 566 2HD2 LEU 69 HD22 LEU 69 4.886 -1.159 -1.752 567 3HD2 LEU 69 HD23 LEU 69 4.379 0.213 -2.741 568 H GLN 70 HN GLN 70 -0.135 1.542 -3.898 569 HA GLN 70 HA GLN 70 -2.452 1.817 -2.195 570 1HB GLN 70 HB2 GLN 70 -3.046 3.838 -3.539 571 2HB GLN 70 HB1 GLN 70 -1.566 3.951 -2.616 572 1HG GLN 70 HG2 GLN 70 -0.276 3.601 -4.649 573 2HG GLN 70 HG1 GLN 70 -1.784 3.494 -5.594 574 1HE2 GLN 70 HE21 GLN 70 -1.234 5.326 -6.812 575 2HE2 GLN 70 HE22 GLN 70 -1.277 6.913 -6.121 576 H GLU 71 HN GLU 71 -1.566 0.443 -5.115 577 HA GLU 71 HA GLU 71 -4.118 0.379 -6.351 578 1HB GLU 71 HB2 GLU 71 -1.938 -0.029 -7.531 579 2HB GLU 71 HB1 GLU 71 -1.816 -1.561 -6.683 580 1HG GLU 71 HG2 GLU 71 -2.569 -1.942 -8.915 581 2HG GLU 71 HG1 GLU 71 -3.881 -2.299 -7.795 582 H MET 72 HN MET 72 -2.457 -1.795 -4.204 583 HA MET 72 HA MET 72 -5.003 -3.257 -3.886 584 1HB MET 72 HB2 MET 72 -3.688 -5.169 -3.059 585 2HB MET 72 HB1 MET 72 -3.212 -4.727 -4.691 586 1HG MET 72 HG2 MET 72 -1.255 -3.548 -3.725 587 2HG MET 72 HG1 MET 72 -1.737 -4.137 -2.133 588 1HE MET 72 HE1 MET 72 -2.773 -7.067 -2.728 589 2HE MET 72 HE2 MET 72 -1.671 -6.686 -1.405 590 3HE MET 72 HE3 MET 72 -1.296 -8.006 -2.512 591 H SER 73 HN SER 73 -4.381 -0.794 -2.693 592 HA SER 73 HA SER 73 -3.407 -1.076 -0.053 593 1HB SER 73 HB2 SER 73 -4.336 1.188 0.290 594 2HB SER 73 HB1 SER 73 -3.312 1.077 -1.146 595 HG SER 73 HG SER 73 -5.050 1.312 -2.417 596 H SER 74 HN SER 74 -6.488 -1.483 -1.537 597 HA SER 74 HA SER 74 -8.554 -2.080 -0.787 598 1HB SER 74 HB2 SER 74 -7.252 -3.855 0.526 599 2HB SER 74 HB1 SER 74 -7.169 -2.720 1.868 600 HG SER 74 HG SER 74 -9.222 -3.096 2.339 601 H LYS 75 HN LYS 75 -7.542 0.450 -0.764 602 HA LYS 75 HA LYS 75 -9.235 1.804 1.152 603 1HB LYS 75 HB2 LYS 75 -7.210 1.897 2.416 604 2HB LYS 75 HB1 LYS 75 -6.243 2.251 0.988 605 1HG LYS 75 HG2 LYS 75 -7.451 4.444 0.811 606 2HG LYS 75 HG1 LYS 75 -8.220 4.082 2.351 607 1HD LYS 75 HD2 LYS 75 -5.233 4.127 2.041 608 2HD LYS 75 HD1 LYS 75 -6.151 5.595 2.355 609 1HE LYS 75 HE2 LYS 75 -6.100 3.120 4.070 610 2HE LYS 75 HE1 LYS 75 -5.258 4.633 4.404 611 1HZ LYS 75 HZ1 LYS 75 -7.294 4.604 5.659 612 2HZ LYS 75 HZ2 LYS 75 -8.179 4.162 4.338 613 3HZ LYS 75 HZ3 LYS 75 -7.498 5.724 4.399 614 H ALA 76 HN ALA 76 -6.643 2.515 -1.214 615 HA ALA 76 HA ALA 76 -6.362 4.067 -2.793 616 1HB ALA 76 HB1 ALA 76 -9.391 4.094 -3.020 617 2HB ALA 76 HB2 ALA 76 -8.315 3.032 -3.927 618 3HB ALA 76 HB3 ALA 76 -8.268 4.773 -4.196 619 H GLY 77 HN GLY 77 -9.222 4.990 -0.999 620 1HA GLY 77 HA2 GLY 77 -8.013 7.049 0.457 621 2HA GLY 77 HA1 GLY 77 -8.948 7.716 -0.888 622 H SER 78 HN SER 78 -10.791 8.365 -0.122 623 HA SER 78 HA SER 78 -12.694 6.423 0.897 624 1HB SER 78 HB2 SER 78 -12.139 9.045 2.380 625 2HB SER 78 HB1 SER 78 -13.367 7.853 2.810 626 HG SER 78 HG SER 78 -11.084 6.582 2.662 627 H ASP 79 HN ASP 79 -12.137 7.636 -1.483 628 HA ASP 79 HA ASP 79 -13.800 10.049 -1.684 629 1HB ASP 79 HB2 ASP 79 -11.497 9.135 -3.421 630 2HB ASP 79 HB1 ASP 79 -12.388 10.641 -3.596 631 H THR 80 HN THR 80 -13.620 6.792 -2.523 632 HA THR 80 HA THR 80 -15.101 7.055 -4.973 633 HB THR 80 HB THR 80 -13.432 5.176 -4.563 634 HG1 THR 80 HG1 THR 80 -15.729 3.749 -5.071 635 1HG2 THR 80 HG21 THR 80 -14.192 3.211 -3.280 636 2HG2 THR 80 HG22 THR 80 -15.649 4.084 -2.812 637 3HG2 THR 80 HG23 THR 80 -14.072 4.635 -2.244 638 H GLU 81 HN GLU 81 -15.911 7.512 -1.892 639 HA GLU 81 HA GLU 81 -18.497 6.233 -1.904 640 1HB GLU 81 HB2 GLU 81 -17.184 6.567 0.205 641 2HB GLU 81 HB1 GLU 81 -17.329 8.301 -0.012 642 1HG GLU 81 HG2 GLU 81 -19.683 8.223 0.334 643 2HG GLU 81 HG1 GLU 81 -19.682 6.459 0.309 644 H LEU 82 HN LEU 82 -20.315 7.171 -2.646 645 HA LEU 82 HA LEU 82 -19.971 9.649 -4.115 646 1HB LEU 82 HB2 LEU 82 -22.183 7.585 -4.133 647 2HB LEU 82 HB1 LEU 82 -22.293 9.100 -4.993 648 HG LEU 82 HG LEU 82 -20.321 8.385 -6.376 649 1HD1 LEU 82 HD11 LEU 82 -20.745 5.722 -5.048 650 2HD1 LEU 82 HD12 LEU 82 -19.333 6.759 -4.863 651 3HD1 LEU 82 HD13 LEU 82 -19.698 6.039 -6.431 652 1HD2 LEU 82 HD21 LEU 82 -22.721 6.576 -6.421 653 2HD2 LEU 82 HD22 LEU 82 -21.580 6.811 -7.745 654 3HD2 LEU 82 HD23 LEU 82 -22.583 8.154 -7.198 655 H ALA 83 HN ALA 83 -21.473 11.344 -3.965 656 HA ALA 83 HA ALA 83 -22.703 11.494 -1.314 657 1HB ALA 83 HB1 ALA 83 -22.373 13.896 -1.437 658 2HB ALA 83 HB2 ALA 83 -21.663 13.726 -3.041 659 3HB ALA 83 HB3 ALA 83 -20.843 13.043 -1.638 660 H ALA 84 HN ALA 84 -24.735 11.013 -1.580 661 HA ALA 84 HA ALA 84 -26.295 12.593 -3.492 662 1HB ALA 84 HB1 ALA 84 -26.289 10.249 -4.213 663 2HB ALA 84 HB2 ALA 84 -27.884 10.698 -3.613 664 3HB ALA 84 HB3 ALA 84 -26.797 9.739 -2.604 665 HA PRO 85 HA PRO 85 -27.654 14.404 0.332 666 1HB PRO 85 HB2 PRO 85 -30.027 14.939 -1.404 667 2HB PRO 85 HB1 PRO 85 -29.168 16.032 -0.309 668 1HG PRO 85 HG2 PRO 85 -28.743 16.172 -2.914 669 2HG PRO 85 HG1 PRO 85 -27.390 16.317 -1.775 670 1HD PRO 85 HD2 PRO 85 -28.159 14.029 -3.523 671 2HD PRO 85 HD1 PRO 85 -26.548 14.573 -3.017 672 H LYS 86 HN LYS 86 -28.019 12.801 1.665 673 HA LYS 86 HA LYS 86 -30.299 11.024 1.490 674 1HB LYS 86 HB2 LYS 86 -28.147 10.240 2.331 675 2HB LYS 86 HB1 LYS 86 -28.176 11.456 3.596 676 1HG LYS 86 HG2 LYS 86 -30.056 10.341 4.646 677 2HG LYS 86 HG1 LYS 86 -30.110 9.161 3.336 678 1HD LYS 86 HD2 LYS 86 -28.956 8.243 5.275 679 2HD LYS 86 HD1 LYS 86 -27.848 8.411 3.916 680 1HE LYS 86 HE2 LYS 86 -27.022 10.525 4.898 681 2HE LYS 86 HE1 LYS 86 -28.099 10.286 6.273 682 1HZ LYS 86 HZ1 LYS 86 -25.867 8.510 5.458 683 2HZ LYS 86 HZ2 LYS 86 -26.952 8.179 6.697 684 3HZ LYS 86 HZ3 LYS 86 -25.904 9.512 6.834 685 H SER 87 HN SER 87 -29.260 13.805 3.245 686 HA SER 87 HA SER 87 -32.030 14.335 3.996 687 1HB SER 87 HB2 SER 87 -31.131 15.227 6.223 688 2HB SER 87 HB1 SER 87 -31.096 13.470 6.038 689 HG SER 87 HG SER 87 -28.798 13.990 5.174 690 H LYS 88 HN LYS 88 -29.402 16.263 5.122 691 HA LYS 88 HA LYS 88 -29.832 18.261 2.995 692 1HB LYS 88 HB2 LYS 88 -28.339 18.433 5.649 693 2HB LYS 88 HB1 LYS 88 -28.264 19.690 4.434 694 1HG LYS 88 HG2 LYS 88 -29.784 20.387 6.123 695 2HG LYS 88 HG1 LYS 88 -30.733 19.987 4.699 696 1HD LYS 88 HD2 LYS 88 -31.323 17.834 5.692 697 2HD LYS 88 HD1 LYS 88 -30.321 18.204 7.096 698 1HE LYS 88 HE2 LYS 88 -32.657 18.638 7.586 699 2HE LYS 88 HE1 LYS 88 -31.737 20.138 7.593 700 1HZ LYS 88 HZ1 LYS 88 -33.831 20.414 6.443 701 2HZ LYS 88 HZ2 LYS 88 -33.491 19.165 5.390 702 3HZ LYS 88 HZ3 LYS 88 -32.591 20.576 5.318 703 H ASN 89 HN ASN 89 -27.953 15.779 4.136 704 HA ASN 89 HA ASN 89 -25.949 16.013 2.118 705 1HB ASN 89 HB2 ASN 89 -25.413 15.383 5.066 706 2HB ASN 89 HB1 ASN 89 -24.234 15.283 3.772 707 1HD2 ASN 89 HD21 ASN 89 -25.897 17.348 5.971 708 2HD2 ASN 89 HD22 ASN 89 -25.000 18.794 5.620 Start of MODEL 14 1 1H GLY 1 HT1 GLY 1 -13.915 12.894 16.602 2 2H GLY 1 HT2 GLY 1 -14.922 13.458 15.336 3 3H GLY 1 HT3 GLY 1 -13.230 13.681 15.278 4 1HA GLY 1 HA1 GLY 1 -14.510 11.038 15.282 5 2HA GLY 1 HA2 GLY 1 -13.976 11.892 13.835 6 H ASP 2 HN ASP 2 -12.274 10.729 13.189 7 HA ASP 2 HA ASP 2 -10.173 10.202 12.983 8 1HB ASP 2 HB2 ASP 2 -9.795 11.836 15.458 9 2HB ASP 2 HB1 ASP 2 -8.462 10.861 14.845 10 H GLY 3 HN GLY 3 -8.288 9.001 14.019 11 1HA GLY 3 HA2 GLY 3 -7.617 6.970 14.926 12 2HA GLY 3 HA1 GLY 3 -9.217 6.797 15.667 13 H GLU 4 HN GLU 4 -8.956 7.757 12.450 14 HA GLU 4 HA GLU 4 -10.034 5.182 11.496 15 1HB GLU 4 HB2 GLU 4 -11.482 6.550 10.024 16 2HB GLU 4 HB1 GLU 4 -11.807 6.809 11.735 17 1HG GLU 4 HG2 GLU 4 -10.481 8.858 11.686 18 2HG GLU 4 HG1 GLU 4 -10.141 8.607 9.982 19 H ALA 5 HN ALA 5 -7.539 7.370 11.281 20 HA ALA 5 HA ALA 5 -7.289 7.377 8.420 21 1HB ALA 5 HB1 ALA 5 -6.679 9.361 9.717 22 2HB ALA 5 HB2 ALA 5 -5.331 8.744 8.763 23 3HB ALA 5 HB3 ALA 5 -5.392 8.443 10.499 24 H GLN 6 HN GLN 6 -6.621 5.658 7.466 25 HA GLN 6 HA GLN 6 -4.388 4.101 8.553 26 1HB GLN 6 HB2 GLN 6 -6.308 2.861 7.605 27 2HB GLN 6 HB1 GLN 6 -6.121 3.731 6.089 28 1HG GLN 6 HG2 GLN 6 -3.723 2.736 6.117 29 2HG GLN 6 HG1 GLN 6 -4.411 1.588 7.266 30 1HE2 GLN 6 HE21 GLN 6 -4.146 -0.122 5.813 31 2HE2 GLN 6 HE22 GLN 6 -5.115 -0.271 4.389 32 H ARG 7 HN ARG 7 -2.383 4.770 7.846 33 HA ARG 7 HA ARG 7 -2.253 6.721 5.753 34 1HB ARG 7 HB2 ARG 7 -0.667 6.789 7.675 35 2HB ARG 7 HB1 ARG 7 0.041 5.279 7.116 36 1HG ARG 7 HG2 ARG 7 0.776 6.305 5.084 37 2HG ARG 7 HG1 ARG 7 -0.057 7.795 5.483 38 1HD ARG 7 HD2 ARG 7 2.278 8.103 5.950 39 2HD ARG 7 HD1 ARG 7 1.416 8.034 7.481 40 HE ARG 7 HE ARG 7 2.217 5.491 7.209 41 1HH1 ARG 7 HH11 ARG 7 3.989 8.565 6.954 42 2HH1 ARG 7 HH12 ARG 7 5.503 7.856 7.283 43 1HH2 ARG 7 HH21 ARG 7 4.382 4.550 7.683 44 2HH2 ARG 7 HH22 ARG 7 5.702 5.575 7.767 45 H ASP 8 HN ASP 8 -1.980 6.410 3.678 46 HA ASP 8 HA ASP 8 -2.183 3.863 2.530 47 1HB ASP 8 HB2 ASP 8 -2.924 5.882 1.381 48 2HB ASP 8 HB1 ASP 8 -1.258 6.438 1.258 49 H LEU 9 HN LEU 9 -0.750 2.579 1.471 50 HA LEU 9 HA LEU 9 1.742 2.285 2.626 51 1HB LEU 9 HB2 LEU 9 0.675 1.090 0.096 52 2HB LEU 9 HB1 LEU 9 2.150 0.571 0.883 53 HG LEU 9 HG LEU 9 -0.655 0.354 1.954 54 1HD1 LEU 9 HD11 LEU 9 -0.070 -1.318 0.299 55 2HD1 LEU 9 HD12 LEU 9 -0.213 -2.028 1.905 56 3HD1 LEU 9 HD13 LEU 9 1.385 -1.732 1.210 57 1HD2 LEU 9 HD21 LEU 9 0.851 0.951 3.739 58 2HD2 LEU 9 HD22 LEU 9 1.953 -0.351 3.277 59 3HD2 LEU 9 HD23 LEU 9 0.339 -0.729 3.901 60 H VAL 10 HN VAL 10 0.958 4.084 -0.337 61 HA VAL 10 HA VAL 10 3.735 4.212 -1.110 62 HB VAL 10 HB VAL 10 1.341 5.854 -2.034 63 1HG1 VAL 10 HG11 VAL 10 3.405 7.186 -2.286 64 2HG1 VAL 10 HG12 VAL 10 2.770 6.684 -3.851 65 3HG1 VAL 10 HG13 VAL 10 4.154 5.846 -3.152 66 1HG2 VAL 10 HG21 VAL 10 2.928 3.669 -3.327 67 2HG2 VAL 10 HG22 VAL 10 1.627 4.579 -4.083 68 3HG2 VAL 10 HG23 VAL 10 1.289 3.541 -2.682 69 H LYS 11 HN LYS 11 1.522 6.086 0.722 70 HA LYS 11 HA LYS 11 3.433 8.202 1.129 71 1HB LYS 11 HB2 LYS 11 0.614 7.742 1.901 72 2HB LYS 11 HB1 LYS 11 1.515 8.974 2.797 73 1HG LYS 11 HG2 LYS 11 0.285 10.057 1.034 74 2HG LYS 11 HG1 LYS 11 1.985 10.087 0.598 75 1HD LYS 11 HD2 LYS 11 0.897 9.519 -1.397 76 2HD LYS 11 HD1 LYS 11 1.464 7.972 -0.771 77 1HE LYS 11 HE2 LYS 11 -0.766 7.683 -1.556 78 2HE LYS 11 HE1 LYS 11 -0.805 7.625 0.206 79 1HZ LYS 11 HZ1 LYS 11 -1.549 9.944 -1.501 80 2HZ LYS 11 HZ2 LYS 11 -1.532 10.004 0.167 81 3HZ LYS 11 HZ3 LYS 11 -2.621 8.991 -0.617 82 H ALA 12 HN ALA 12 3.406 5.291 2.149 83 HA ALA 12 HA ALA 12 4.498 5.923 4.790 84 1HB ALA 12 HB1 ALA 12 3.365 3.301 3.784 85 2HB ALA 12 HB2 ALA 12 2.575 4.404 4.910 86 3HB ALA 12 HB3 ALA 12 4.057 3.572 5.384 87 H VAL 13 HN VAL 13 4.816 3.371 2.313 88 HA VAL 13 HA VAL 13 7.495 2.746 3.014 89 HB VAL 13 HB VAL 13 5.889 1.952 0.570 90 1HG1 VAL 13 HG11 VAL 13 8.405 0.737 1.708 91 2HG1 VAL 13 HG12 VAL 13 8.273 1.656 0.208 92 3HG1 VAL 13 HG13 VAL 13 7.466 0.096 0.355 93 1HG2 VAL 13 HG21 VAL 13 5.473 -0.134 1.791 94 2HG2 VAL 13 HG22 VAL 13 4.825 1.271 2.642 95 3HG2 VAL 13 HG23 VAL 13 6.332 0.528 3.184 96 H ALA 14 HN ALA 14 6.088 4.273 0.118 97 HA ALA 14 HA ALA 14 8.609 4.812 -1.060 98 1HB ALA 14 HB1 ALA 14 7.333 6.259 -2.628 99 2HB ALA 14 HB2 ALA 14 5.915 6.095 -1.584 100 3HB ALA 14 HB3 ALA 14 6.560 4.687 -2.410 101 H HIS 15 HN HIS 15 6.572 6.426 1.164 102 HA HIS 15 HA HIS 15 7.750 9.005 0.998 103 1HB HIS 15 HB2 HIS 15 5.440 8.395 1.864 104 2HB HIS 15 HB1 HIS 15 6.231 7.858 3.332 105 HD1 HIS 15 HD1 HIS 15 4.682 9.689 4.495 106 HD2 HIS 15 HD2 HIS 15 7.596 11.200 1.946 107 HE1 HIS 15 HE1 HIS 15 4.801 12.129 4.976 108 HE2 HIS 15 HE2 HIS 15 6.227 13.036 3.170 109 H ILE 16 HN ILE 16 8.644 6.063 2.621 110 HA ILE 16 HA ILE 16 10.412 7.175 4.549 111 HB ILE 16 HB ILE 16 10.396 4.457 3.183 112 1HG1 ILE 16 HG12 ILE 16 8.514 4.815 4.664 113 2HG1 ILE 16 HG11 ILE 16 9.614 3.635 5.371 114 1HG2 ILE 16 HG21 ILE 16 12.690 4.908 3.835 115 2HG2 ILE 16 HG22 ILE 16 11.993 3.654 4.858 116 3HG2 ILE 16 HG23 ILE 16 12.169 5.297 5.474 117 1HD1 ILE 16 HD11 ILE 16 9.419 6.543 6.131 118 2HD1 ILE 16 HD12 ILE 16 10.510 5.357 6.853 119 3HD1 ILE 16 HD13 ILE 16 8.766 5.182 7.044 120 H LEU 17 HN LEU 17 10.727 6.233 1.221 121 HA LEU 17 HA LEU 17 13.514 6.895 1.022 122 1HB LEU 17 HB2 LEU 17 11.444 6.550 -1.155 123 2HB LEU 17 HB1 LEU 17 13.178 6.615 -1.393 124 HG LEU 17 HG LEU 17 11.687 4.433 0.071 125 1HD1 LEU 17 HD11 LEU 17 11.313 4.370 -2.325 126 2HD1 LEU 17 HD12 LEU 17 12.345 3.034 -1.814 127 3HD1 LEU 17 HD13 LEU 17 13.052 4.442 -2.610 128 1HD2 LEU 17 HD21 LEU 17 14.609 4.697 -0.619 129 2HD2 LEU 17 HD22 LEU 17 13.841 3.285 0.109 130 3HD2 LEU 17 HD23 LEU 17 13.911 4.806 0.997 131 H GLY 18 HN GLY 18 10.493 8.369 0.032 132 1HA GLY 18 HA2 GLY 18 10.406 10.849 0.515 133 2HA GLY 18 HA1 GLY 18 11.930 10.924 -0.362 134 H ILE 19 HN ILE 19 9.504 8.716 -1.377 135 HA ILE 19 HA ILE 19 8.900 10.452 -3.617 136 HB ILE 19 HB ILE 19 8.314 8.124 -4.690 137 1HG1 ILE 19 HG12 ILE 19 10.598 7.401 -2.845 138 2HG1 ILE 19 HG11 ILE 19 8.958 6.775 -2.755 139 1HG2 ILE 19 HG21 ILE 19 11.101 9.280 -4.605 140 2HG2 ILE 19 HG22 ILE 19 9.762 9.753 -5.671 141 3HG2 ILE 19 HG23 ILE 19 10.490 8.160 -5.834 142 1HD1 ILE 19 HD11 ILE 19 10.898 6.334 -5.015 143 2HD1 ILE 19 HD12 ILE 19 9.259 5.692 -4.923 144 3HD1 ILE 19 HD13 ILE 19 10.478 5.170 -3.759 145 H ARG 20 HN ARG 20 6.899 10.216 -4.541 146 HA ARG 20 HA ARG 20 4.743 8.777 -3.344 147 1HB ARG 20 HB2 ARG 20 5.006 10.522 -1.617 148 2HB ARG 20 HB1 ARG 20 4.851 11.756 -2.863 149 1HG ARG 20 HG2 ARG 20 2.606 10.643 -3.397 150 2HG ARG 20 HG1 ARG 20 2.788 9.875 -1.824 151 1HD ARG 20 HD2 ARG 20 1.485 11.933 -1.627 152 2HD ARG 20 HD1 ARG 20 3.006 12.040 -0.737 153 HE ARG 20 HE ARG 20 3.565 13.069 -3.208 154 1HH1 ARG 20 HH11 ARG 20 1.220 13.902 -0.684 155 2HH1 ARG 20 HH12 ARG 20 1.199 15.551 -1.111 156 1HH2 ARG 20 HH21 ARG 20 3.582 15.199 -3.722 157 2HH2 ARG 20 HH22 ARG 20 2.614 16.353 -2.884 158 H ASP 21 HN ASP 21 5.825 11.572 -5.128 159 HA ASP 21 HA ASP 21 3.521 11.498 -6.867 160 1HB ASP 21 HB2 ASP 21 5.940 13.312 -6.844 161 2HB ASP 21 HB1 ASP 21 4.583 13.473 -7.953 162 H LEU 22 HN LEU 22 6.856 10.651 -6.920 163 HA LEU 22 HA LEU 22 8.112 9.446 -8.341 164 1HB LEU 22 HB2 LEU 22 5.463 8.320 -9.285 165 2HB LEU 22 HB1 LEU 22 7.025 7.692 -9.734 166 HG LEU 22 HG LEU 22 6.217 6.235 -8.175 167 1HD1 LEU 22 HD11 LEU 22 7.682 6.391 -6.258 168 2HD1 LEU 22 HD12 LEU 22 7.998 8.084 -6.681 169 3HD1 LEU 22 HD13 LEU 22 8.473 6.808 -7.786 170 1HD2 LEU 22 HD21 LEU 22 4.343 7.459 -7.308 171 2HD2 LEU 22 HD22 LEU 22 5.419 8.525 -6.406 172 3HD2 LEU 22 HD23 LEU 22 5.304 6.819 -5.978 173 H ALA 23 HN ALA 23 8.575 11.526 -9.348 174 HA ALA 23 HA ALA 23 7.080 12.085 -11.711 175 1HB ALA 23 HB1 ALA 23 8.499 14.062 -11.950 176 2HB ALA 23 HB2 ALA 23 9.517 13.492 -10.626 177 3HB ALA 23 HB3 ALA 23 7.841 13.951 -10.317 178 H GLY 24 HN GLY 24 10.110 10.917 -10.811 179 1HA GLY 24 HA2 GLY 24 10.416 9.843 -13.494 180 2HA GLY 24 HA1 GLY 24 11.801 10.754 -12.845 181 H ILE 25 HN ILE 25 9.559 8.466 -11.465 182 HA ILE 25 HA ILE 25 11.814 6.711 -10.809 183 HB ILE 25 HB ILE 25 9.191 7.057 -9.313 184 1HG1 ILE 25 HG12 ILE 25 10.745 8.957 -8.986 185 2HG1 ILE 25 HG11 ILE 25 10.505 8.043 -7.508 186 1HG2 ILE 25 HG21 ILE 25 9.986 4.753 -9.166 187 2HG2 ILE 25 HG22 ILE 25 10.153 5.561 -7.607 188 3HG2 ILE 25 HG23 ILE 25 11.572 5.311 -8.626 189 1HD1 ILE 25 HD11 ILE 25 12.899 7.855 -9.332 190 2HD1 ILE 25 HD12 ILE 25 12.662 6.948 -7.834 191 3HD1 ILE 25 HD13 ILE 25 12.831 8.702 -7.784 192 H ASN 26 HN ASN 26 11.475 4.552 -11.256 193 HA ASN 26 HA ASN 26 9.429 4.024 -13.240 194 1HB ASN 26 HB2 ASN 26 11.474 2.155 -12.020 195 2HB ASN 26 HB1 ASN 26 10.366 1.729 -13.312 196 1HD2 ASN 26 HD21 ASN 26 13.205 1.628 -13.276 197 2HD2 ASN 26 HD22 ASN 26 13.759 2.610 -14.572 198 H LEU 27 HN LEU 27 7.617 2.957 -12.927 199 HA LEU 27 HA LEU 27 6.986 2.277 -10.153 200 1HB LEU 27 HB2 LEU 27 5.165 2.781 -12.513 201 2HB LEU 27 HB1 LEU 27 4.611 2.334 -10.911 202 HG LEU 27 HG LEU 27 6.045 4.886 -11.659 203 1HD1 LEU 27 HD11 LEU 27 3.692 4.848 -12.337 204 2HD1 LEU 27 HD12 LEU 27 4.025 5.987 -11.027 205 3HD1 LEU 27 HD13 LEU 27 3.227 4.464 -10.665 206 1HD2 LEU 27 HD21 LEU 27 5.071 3.918 -8.985 207 2HD2 LEU 27 HD22 LEU 27 5.641 5.547 -9.337 208 3HD2 LEU 27 HD23 LEU 27 6.749 4.184 -9.463 209 H ASP 28 HN ASP 28 8.270 0.845 -12.573 210 HA ASP 28 HA ASP 28 6.810 -1.681 -12.260 211 1HB ASP 28 HB2 ASP 28 8.739 -0.791 -14.417 212 2HB ASP 28 HB1 ASP 28 8.070 -2.415 -14.296 213 H SER 29 HN SER 29 9.214 -0.113 -10.856 214 HA SER 29 HA SER 29 11.201 -2.184 -10.779 215 1HB SER 29 HB2 SER 29 10.886 0.383 -9.211 216 2HB SER 29 HB1 SER 29 12.293 -0.674 -9.145 217 HG SER 29 HG SER 29 12.815 0.797 -10.573 218 H SER 30 HN SER 30 11.392 -3.674 -9.222 219 HA SER 30 HA SER 30 9.195 -4.210 -7.504 220 1HB SER 30 HB2 SER 30 11.983 -5.362 -7.491 221 2HB SER 30 HB1 SER 30 10.534 -6.094 -6.811 222 HG SER 30 HG SER 30 10.283 -6.950 -8.651 223 H LEU 31 HN LEU 31 9.181 -4.088 -5.197 224 HA LEU 31 HA LEU 31 10.328 -1.878 -3.980 225 1HB LEU 31 HB2 LEU 31 8.352 -3.401 -3.236 226 2HB LEU 31 HB1 LEU 31 9.583 -4.355 -2.442 227 HG LEU 31 HG LEU 31 10.237 -2.279 -1.191 228 1HD1 LEU 31 HD11 LEU 31 7.690 -1.316 -2.432 229 2HD1 LEU 31 HD12 LEU 31 9.314 -0.708 -2.774 230 3HD1 LEU 31 HD13 LEU 31 8.594 -0.469 -1.168 231 1HD2 LEU 31 HD21 LEU 31 8.820 -3.998 -0.192 232 2HD2 LEU 31 HD22 LEU 31 7.393 -3.231 -0.887 233 3HD2 LEU 31 HD23 LEU 31 8.339 -2.386 0.339 234 H ALA 32 HN ALA 32 11.475 -5.098 -4.397 235 HA ALA 32 HA ALA 32 13.522 -4.987 -2.493 236 1HB ALA 32 HB1 ALA 32 13.268 -6.779 -4.889 237 2HB ALA 32 HB2 ALA 32 12.635 -7.089 -3.274 238 3HB ALA 32 HB3 ALA 32 14.379 -7.024 -3.542 239 H ASP 33 HN ASP 33 13.241 -3.892 -5.771 240 HA ASP 33 HA ASP 33 16.042 -3.733 -6.390 241 1HB ASP 33 HB2 ASP 33 14.445 -3.803 -8.226 242 2HB ASP 33 HB1 ASP 33 13.620 -2.377 -7.616 243 H LEU 34 HN LEU 34 13.571 -1.699 -5.145 244 HA LEU 34 HA LEU 34 15.015 0.696 -4.784 245 1HB LEU 34 HB2 LEU 34 12.633 -0.538 -3.421 246 2HB LEU 34 HB1 LEU 34 13.275 1.000 -2.913 247 HG LEU 34 HG LEU 34 12.465 2.105 -4.859 248 1HD1 LEU 34 HD11 LEU 34 11.562 0.984 -6.816 249 2HD1 LEU 34 HD12 LEU 34 11.927 -0.590 -6.111 250 3HD1 LEU 34 HD13 LEU 34 13.238 0.496 -6.571 251 1HD2 LEU 34 HD21 LEU 34 10.740 1.529 -3.315 252 2HD2 LEU 34 HD22 LEU 34 10.606 -0.064 -4.052 253 3HD2 LEU 34 HD23 LEU 34 10.115 1.370 -4.973 254 H GLY 35 HN GLY 35 14.244 -2.007 -2.660 255 1HA GLY 35 HA2 GLY 35 15.881 -3.032 -1.269 256 2HA GLY 35 HA1 GLY 35 16.706 -1.475 -1.164 257 H LEU 36 HN LEU 36 14.072 -3.389 -0.035 258 HA LEU 36 HA LEU 36 13.128 -1.219 1.612 259 1HB LEU 36 HB2 LEU 36 11.186 -2.567 2.044 260 2HB LEU 36 HB1 LEU 36 11.640 -2.936 0.423 261 HG LEU 36 HG LEU 36 12.868 -4.988 1.531 262 1HD1 LEU 36 HD11 LEU 36 12.397 -4.342 3.831 263 2HD1 LEU 36 HD12 LEU 36 11.604 -5.867 3.428 264 3HD1 LEU 36 HD13 LEU 36 10.666 -4.374 3.492 265 1HD2 LEU 36 HD21 LEU 36 9.892 -4.819 1.111 266 2HD2 LEU 36 HD22 LEU 36 10.846 -6.304 1.128 267 3HD2 LEU 36 HD23 LEU 36 11.098 -5.105 -0.144 268 H ASP 37 HN ASP 37 13.819 -0.859 3.582 269 HA ASP 37 HA ASP 37 16.182 -2.124 4.438 270 1HB ASP 37 HB2 ASP 37 16.184 -0.530 6.296 271 2HB ASP 37 HB1 ASP 37 15.758 0.278 4.801 272 H SER 38 HN SER 38 13.278 -1.812 6.307 273 HA SER 38 HA SER 38 13.060 -4.533 7.106 274 1HB SER 38 HB2 SER 38 13.970 -2.514 9.220 275 2HB SER 38 HB1 SER 38 13.434 -4.158 9.548 276 HG SER 38 HG SER 38 15.433 -4.075 7.709 277 H LEU 39 HN LEU 39 12.520 -1.141 8.038 278 HA LEU 39 HA LEU 39 9.956 -1.525 9.138 279 1HB LEU 39 HB2 LEU 39 11.405 0.409 9.608 280 2HB LEU 39 HB1 LEU 39 11.195 0.945 7.951 281 HG LEU 39 HG LEU 39 8.723 1.014 8.448 282 1HD1 LEU 39 HD11 LEU 39 9.702 0.858 11.283 283 2HD1 LEU 39 HD12 LEU 39 8.671 -0.304 10.447 284 3HD1 LEU 39 HD13 LEU 39 8.075 1.320 10.783 285 1HD2 LEU 39 HD21 LEU 39 10.054 2.969 8.171 286 2HD2 LEU 39 HD22 LEU 39 10.586 2.901 9.859 287 3HD2 LEU 39 HD23 LEU 39 8.886 3.227 9.469 288 H MET 40 HN MET 40 11.182 -0.711 5.962 289 HA MET 40 HA MET 40 8.729 -0.100 4.702 290 1HB MET 40 HB2 MET 40 11.291 -1.147 3.484 291 2HB MET 40 HB1 MET 40 9.925 -0.488 2.605 292 1HG MET 40 HG2 MET 40 10.239 1.675 3.534 293 2HG MET 40 HG1 MET 40 11.476 1.074 4.638 294 1HE MET 40 HE1 MET 40 10.578 1.784 0.857 295 2HE MET 40 HE2 MET 40 11.032 0.079 0.842 296 3HE MET 40 HE3 MET 40 12.059 1.270 0.046 297 H GLY 41 HN GLY 41 9.633 -3.002 5.964 298 1HA GLY 41 HA2 GLY 41 7.797 -4.431 4.153 299 2HA GLY 41 HA1 GLY 41 9.167 -5.211 4.945 300 H VAL 42 HN VAL 42 8.878 -3.931 7.483 301 HA VAL 42 HA VAL 42 6.943 -5.717 8.618 302 HB VAL 42 HB VAL 42 8.539 -3.538 10.003 303 1HG1 VAL 42 HG11 VAL 42 6.628 -4.234 11.326 304 2HG1 VAL 42 HG12 VAL 42 8.128 -4.803 12.063 305 3HG1 VAL 42 HG13 VAL 42 7.106 -5.923 11.164 306 1HG2 VAL 42 HG21 VAL 42 10.005 -5.124 8.934 307 2HG2 VAL 42 HG22 VAL 42 9.154 -6.473 9.699 308 3HG2 VAL 42 HG23 VAL 42 10.062 -5.319 10.685 309 H GLU 43 HN GLU 43 7.094 -2.180 8.224 310 HA GLU 43 HA GLU 43 4.837 -1.673 9.834 311 1HB GLU 43 HB2 GLU 43 6.508 0.057 9.127 312 2HB GLU 43 HB1 GLU 43 5.820 -0.012 7.510 313 1HG GLU 43 HG2 GLU 43 3.649 0.673 8.412 314 2HG GLU 43 HG1 GLU 43 4.369 0.798 10.013 315 H VAL 44 HN VAL 44 5.273 -2.394 6.478 316 HA VAL 44 HA VAL 44 2.725 -1.903 5.439 317 HB VAL 44 HB VAL 44 4.435 -4.275 4.698 318 1HG1 VAL 44 HG11 VAL 44 3.500 -3.923 2.467 319 2HG1 VAL 44 HG12 VAL 44 2.517 -2.599 3.117 320 3HG1 VAL 44 HG13 VAL 44 2.274 -4.250 3.696 321 1HG2 VAL 44 HG21 VAL 44 5.883 -2.339 4.759 322 2HG2 VAL 44 HG22 VAL 44 4.764 -1.430 3.739 323 3HG2 VAL 44 HG23 VAL 44 5.609 -2.846 3.100 324 H ARG 45 HN ARG 45 4.134 -4.850 6.780 325 HA ARG 45 HA ARG 45 1.919 -6.494 6.724 326 1HB ARG 45 HB2 ARG 45 4.275 -6.388 8.559 327 2HB ARG 45 HB1 ARG 45 3.044 -7.612 8.758 328 1HG ARG 45 HG2 ARG 45 3.500 -8.236 6.348 329 2HG ARG 45 HG1 ARG 45 4.923 -7.195 6.469 330 1HD ARG 45 HD2 ARG 45 4.341 -9.426 8.397 331 2HD ARG 45 HD1 ARG 45 5.294 -9.650 6.937 332 HE ARG 45 HE ARG 45 6.941 -8.214 7.833 333 1HH1 ARG 45 HH11 ARG 45 4.389 -8.719 10.311 334 2HH1 ARG 45 HH12 ARG 45 5.516 -8.789 11.580 335 1HH2 ARG 45 HH21 ARG 45 8.398 -8.355 9.632 336 2HH2 ARG 45 HH22 ARG 45 7.819 -8.596 11.224 337 H GLN 46 HN GLN 46 2.969 -4.292 9.269 338 HA GLN 46 HA GLN 46 0.982 -4.966 11.138 339 1HB GLN 46 HB2 GLN 46 2.303 -2.262 10.866 340 2HB GLN 46 HB1 GLN 46 1.529 -2.916 12.299 341 1HG GLN 46 HG2 GLN 46 3.282 -4.683 12.355 342 2HG GLN 46 HG1 GLN 46 4.086 -3.850 11.023 343 1HE2 GLN 46 HE21 GLN 46 3.372 -3.841 14.358 344 2HE2 GLN 46 HE22 GLN 46 4.368 -2.502 14.816 345 H ILE 47 HN ILE 47 1.052 -2.451 8.618 346 HA ILE 47 HA ILE 47 -1.270 -1.051 9.386 347 HB ILE 47 HB ILE 47 -0.051 -1.369 6.624 348 1HG1 ILE 47 HG12 ILE 47 0.202 0.867 8.635 349 2HG1 ILE 47 HG11 ILE 47 1.428 -0.357 8.283 350 1HG2 ILE 47 HG21 ILE 47 -1.302 0.649 6.000 351 2HG2 ILE 47 HG22 ILE 47 -2.099 0.630 7.579 352 3HG2 ILE 47 HG23 ILE 47 -2.371 -0.684 6.437 353 1HD1 ILE 47 HD11 ILE 47 1.622 0.486 6.007 354 2HD1 ILE 47 HD12 ILE 47 1.938 1.758 7.188 355 3HD1 ILE 47 HD13 ILE 47 0.389 1.699 6.346 356 H LEU 48 HN LEU 48 -0.721 -3.550 7.061 357 HA LEU 48 HA LEU 48 -3.461 -3.648 6.336 358 1HB LEU 48 HB2 LEU 48 -1.165 -5.424 5.625 359 2HB LEU 48 HB1 LEU 48 -2.797 -5.882 5.199 360 HG LEU 48 HG LEU 48 -1.897 -4.884 3.282 361 1HD1 LEU 48 HD11 LEU 48 -4.152 -4.161 3.750 362 2HD1 LEU 48 HD12 LEU 48 -3.237 -2.890 2.929 363 3HD1 LEU 48 HD13 LEU 48 -3.522 -2.788 4.664 364 1HD2 LEU 48 HD21 LEU 48 -0.842 -2.679 3.225 365 2HD2 LEU 48 HD22 LEU 48 0.044 -3.799 4.260 366 3HD2 LEU 48 HD23 LEU 48 -0.993 -2.566 4.980 367 H GLU 49 HN GLU 49 -1.558 -5.492 8.606 368 HA GLU 49 HA GLU 49 -3.461 -7.521 9.041 369 1HB GLU 49 HB2 GLU 49 -1.080 -7.709 9.646 370 2HB GLU 49 HB1 GLU 49 -1.305 -6.489 10.887 371 1HG GLU 49 HG2 GLU 49 -2.814 -7.979 12.081 372 2HG GLU 49 HG1 GLU 49 -2.624 -9.188 10.814 373 H ARG 50 HN ARG 50 -3.084 -4.315 10.402 374 HA ARG 50 HA ARG 50 -5.021 -4.848 12.523 375 1HB ARG 50 HB2 ARG 50 -3.940 -2.157 11.777 376 2HB ARG 50 HB1 ARG 50 -4.654 -2.657 13.293 377 1HG ARG 50 HG2 ARG 50 -2.708 -4.034 13.758 378 2HG ARG 50 HG1 ARG 50 -2.000 -3.541 12.214 379 1HD ARG 50 HD2 ARG 50 -2.535 -1.887 14.651 380 2HD ARG 50 HD1 ARG 50 -1.024 -2.103 13.769 381 HE ARG 50 HE ARG 50 -3.251 -0.751 12.410 382 1HH1 ARG 50 HH11 ARG 50 0.049 -0.516 13.700 383 2HH1 ARG 50 HH12 ARG 50 0.188 1.127 13.303 384 1HH2 ARG 50 HH21 ARG 50 -3.038 1.459 11.893 385 2HH2 ARG 50 HH22 ARG 50 -1.610 2.308 12.282 386 H GLU 51 HN GLU 51 -4.763 -2.589 9.773 387 HA GLU 51 HA GLU 51 -7.226 -1.355 10.382 388 1HB GLU 51 HB2 GLU 51 -5.733 -1.143 7.785 389 2HB GLU 51 HB1 GLU 51 -6.916 -0.017 8.423 390 1HG GLU 51 HG2 GLU 51 -4.124 -0.529 9.423 391 2HG GLU 51 HG1 GLU 51 -4.764 0.945 8.716 392 H HIS 52 HN HIS 52 -6.386 -3.706 7.847 393 HA HIS 52 HA HIS 52 -9.278 -3.988 7.465 394 1HB HIS 52 HB2 HIS 52 -7.270 -3.441 5.345 395 2HB HIS 52 HB1 HIS 52 -8.598 -4.528 4.951 396 HD1 HIS 52 HD1 HIS 52 -10.653 -3.459 4.187 397 HD2 HIS 52 HD2 HIS 52 -8.293 -0.806 6.332 398 HE1 HIS 52 HE1 HIS 52 -11.828 -1.233 4.044 399 HE2 HIS 52 HE2 HIS 52 -10.551 0.241 5.602 400 H ASP 53 HN ASP 53 -6.985 -5.503 8.705 401 HA ASP 53 HA ASP 53 -6.256 -7.580 9.036 402 1HB ASP 53 HB2 ASP 53 -8.584 -7.765 9.876 403 2HB ASP 53 HB1 ASP 53 -9.076 -8.385 8.303 404 H LEU 54 HN LEU 54 -5.027 -7.125 7.099 405 HA LEU 54 HA LEU 54 -5.334 -9.327 5.173 406 1HB LEU 54 HB2 LEU 54 -4.637 -6.482 4.812 407 2HB LEU 54 HB1 LEU 54 -3.545 -7.588 4.016 408 HG LEU 54 HG LEU 54 -5.418 -8.486 2.723 409 1HD1 LEU 54 HD11 LEU 54 -7.251 -8.040 4.308 410 2HD1 LEU 54 HD12 LEU 54 -7.594 -7.302 2.743 411 3HD1 LEU 54 HD13 LEU 54 -7.023 -6.308 4.085 412 1HD2 LEU 54 HD21 LEU 54 -5.767 -6.520 1.304 413 2HD2 LEU 54 HD22 LEU 54 -4.087 -6.677 1.815 414 3HD2 LEU 54 HD23 LEU 54 -5.133 -5.489 2.585 415 H VAL 55 HN VAL 55 -3.888 -10.861 5.728 416 HA VAL 55 HA VAL 55 -1.448 -10.033 7.053 417 HB VAL 55 HB VAL 55 -2.213 -12.837 6.138 418 1HG1 VAL 55 HG11 VAL 55 -0.526 -13.579 7.763 419 2HG1 VAL 55 HG12 VAL 55 -0.146 -11.894 8.125 420 3HG1 VAL 55 HG13 VAL 55 0.181 -12.543 6.518 421 1HG2 VAL 55 HG21 VAL 55 -3.863 -12.010 7.736 422 2HG2 VAL 55 HG22 VAL 55 -2.577 -11.564 8.856 423 3HG2 VAL 55 HG23 VAL 55 -2.865 -13.263 8.472 424 H LEU 56 HN LEU 56 -0.286 -8.903 5.642 425 HA LEU 56 HA LEU 56 0.164 -10.020 2.976 426 1HB LEU 56 HB2 LEU 56 -1.169 -7.924 3.347 427 2HB LEU 56 HB1 LEU 56 0.347 -7.168 3.827 428 HG LEU 56 HG LEU 56 1.234 -7.859 1.587 429 1HD1 LEU 56 HD11 LEU 56 -1.707 -8.332 1.080 430 2HD1 LEU 56 HD12 LEU 56 -0.419 -9.534 1.022 431 3HD1 LEU 56 HD13 LEU 56 -0.481 -8.245 -0.185 432 1HD2 LEU 56 HD21 LEU 56 -1.048 -5.877 1.654 433 2HD2 LEU 56 HD22 LEU 56 0.193 -5.959 0.405 434 3HD2 LEU 56 HD23 LEU 56 0.636 -5.549 2.062 435 HA PRO 57 HA PRO 57 4.186 -9.851 4.984 436 1HB PRO 57 HB2 PRO 57 4.862 -12.396 4.081 437 2HB PRO 57 HB1 PRO 57 3.919 -12.001 5.531 438 1HG PRO 57 HG2 PRO 57 3.025 -13.318 3.158 439 2HG PRO 57 HG1 PRO 57 2.150 -12.877 4.642 440 1HD PRO 57 HD2 PRO 57 2.345 -11.457 2.049 441 2HD PRO 57 HD1 PRO 57 0.987 -11.543 3.197 442 H ILE 58 HN ILE 58 6.473 -10.682 4.028 443 HA ILE 58 HA ILE 58 6.968 -8.768 2.014 444 HB ILE 58 HB ILE 58 8.854 -10.738 3.367 445 1HG1 ILE 58 HG12 ILE 58 9.843 -8.552 4.288 446 2HG1 ILE 58 HG11 ILE 58 8.428 -7.777 3.590 447 1HG2 ILE 58 HG21 ILE 58 10.754 -9.551 2.357 448 2HG2 ILE 58 HG22 ILE 58 9.649 -8.586 1.391 449 3HG2 ILE 58 HG23 ILE 58 9.748 -10.324 1.138 450 1HD1 ILE 58 HD11 ILE 58 8.371 -9.875 5.739 451 2HD1 ILE 58 HD12 ILE 58 6.981 -9.021 5.066 452 3HD1 ILE 58 HD13 ILE 58 8.198 -8.138 5.985 453 H ARG 59 HN ARG 59 6.538 -12.173 1.890 454 HA ARG 59 HA ARG 59 7.455 -12.498 -0.759 455 1HB ARG 59 HB2 ARG 59 6.072 -14.592 -0.943 456 2HB ARG 59 HB1 ARG 59 7.195 -14.556 0.394 457 1HG ARG 59 HG2 ARG 59 4.278 -13.912 0.738 458 2HG ARG 59 HG1 ARG 59 4.886 -15.567 0.767 459 1HD ARG 59 HD2 ARG 59 5.614 -13.309 2.644 460 2HD ARG 59 HD1 ARG 59 4.729 -14.780 3.024 461 HE ARG 59 HE ARG 59 7.446 -15.026 2.019 462 1HH1 ARG 59 HH11 ARG 59 5.205 -15.465 4.720 463 2HH1 ARG 59 HH12 ARG 59 6.380 -16.202 5.726 464 1HH2 ARG 59 HH21 ARG 59 9.000 -16.032 3.357 465 2HH2 ARG 59 HH22 ARG 59 8.615 -16.481 4.956 466 H GLU 60 HN GLU 60 4.901 -10.762 0.247 467 HA GLU 60 HA GLU 60 3.783 -10.684 -2.470 468 1HB GLU 60 HB2 GLU 60 2.698 -9.595 0.155 469 2HB GLU 60 HB1 GLU 60 1.915 -9.423 -1.403 470 1HG GLU 60 HG2 GLU 60 2.456 -12.045 -0.038 471 2HG GLU 60 HG1 GLU 60 0.928 -11.166 0.029 472 H VAL 61 HN VAL 61 4.567 -8.664 0.304 473 HA VAL 61 HA VAL 61 4.522 -6.174 -0.827 474 HB VAL 61 HB VAL 61 6.192 -7.088 1.526 475 1HG1 VAL 61 HG11 VAL 61 6.113 -4.762 2.280 476 2HG1 VAL 61 HG12 VAL 61 5.281 -4.309 0.796 477 3HG1 VAL 61 HG13 VAL 61 6.940 -4.903 0.729 478 1HG2 VAL 61 HG21 VAL 61 4.298 -6.291 2.869 479 2HG2 VAL 61 HG22 VAL 61 3.834 -7.601 1.785 480 3HG2 VAL 61 HG23 VAL 61 3.409 -5.938 1.388 481 H ARG 62 HN ARG 62 7.361 -8.301 -0.685 482 HA ARG 62 HA ARG 62 9.228 -6.324 -1.485 483 1HB ARG 62 HB2 ARG 62 9.952 -8.309 -0.344 484 2HB ARG 62 HB1 ARG 62 9.301 -9.332 -1.611 485 1HG ARG 62 HG2 ARG 62 10.959 -8.512 -3.146 486 2HG ARG 62 HG1 ARG 62 11.578 -7.412 -1.908 487 1HD ARG 62 HD2 ARG 62 12.272 -9.276 -0.542 488 2HD ARG 62 HD1 ARG 62 11.466 -10.422 -1.617 489 HE ARG 62 HE ARG 62 13.270 -9.088 -3.183 490 1HH1 ARG 62 HH11 ARG 62 13.549 -11.108 -0.243 491 2HH1 ARG 62 HH12 ARG 62 15.067 -11.721 -0.724 492 1HH2 ARG 62 HH21 ARG 62 15.358 -9.980 -3.736 493 2HH2 ARG 62 HH22 ARG 62 16.098 -11.078 -2.652 494 H GLN 63 HN GLN 63 6.945 -8.142 -3.222 495 HA GLN 63 HA GLN 63 8.283 -7.720 -5.781 496 1HB GLN 63 HB2 GLN 63 5.849 -9.372 -5.101 497 2HB GLN 63 HB1 GLN 63 6.474 -9.153 -6.703 498 1HG GLN 63 HG2 GLN 63 7.194 -11.317 -5.875 499 2HG GLN 63 HG1 GLN 63 8.571 -10.263 -6.128 500 1HE2 GLN 63 HE21 GLN 63 6.440 -10.178 -3.368 501 2HE2 GLN 63 HE22 GLN 63 7.597 -10.684 -2.190 502 H LEU 64 HN LEU 64 6.320 -6.098 -3.774 503 HA LEU 64 HA LEU 64 4.479 -5.127 -5.751 504 1HB LEU 64 HB2 LEU 64 5.211 -3.936 -3.063 505 2HB LEU 64 HB1 LEU 64 3.867 -3.439 -4.064 506 HG LEU 64 HG LEU 64 4.193 -6.016 -2.564 507 1HD1 LEU 64 HD11 LEU 64 3.526 -4.155 -1.187 508 2HD1 LEU 64 HD12 LEU 64 2.183 -5.283 -1.368 509 3HD1 LEU 64 HD13 LEU 64 2.204 -3.779 -2.290 510 1HD2 LEU 64 HD21 LEU 64 1.955 -6.643 -3.386 511 2HD2 LEU 64 HD22 LEU 64 3.128 -6.511 -4.697 512 3HD2 LEU 64 HD23 LEU 64 1.955 -5.223 -4.431 513 H THR 65 HN THR 65 4.634 -2.923 -6.549 514 HA THR 65 HA THR 65 7.425 -2.334 -7.043 515 HB THR 65 HB THR 65 6.385 -1.069 -8.978 516 HG1 THR 65 HG1 THR 65 4.153 -1.741 -9.378 517 1HG2 THR 65 HG21 THR 65 5.901 -3.165 -10.234 518 2HG2 THR 65 HG22 THR 65 5.849 -4.051 -8.702 519 3HG2 THR 65 HG23 THR 65 7.350 -3.327 -9.241 520 H LEU 66 HN LEU 66 4.851 -0.067 -7.311 521 HA LEU 66 HA LEU 66 5.845 1.300 -4.952 522 1HB LEU 66 HB2 LEU 66 7.043 2.002 -7.207 523 2HB LEU 66 HB1 LEU 66 5.577 2.923 -7.455 524 HG LEU 66 HG LEU 66 7.277 4.368 -6.516 525 1HD1 LEU 66 HD11 LEU 66 5.253 3.621 -4.468 526 2HD1 LEU 66 HD12 LEU 66 5.001 4.763 -5.792 527 3HD1 LEU 66 HD13 LEU 66 6.152 5.142 -4.486 528 1HD2 LEU 66 HD21 LEU 66 8.652 2.657 -5.461 529 2HD2 LEU 66 HD22 LEU 66 7.395 2.410 -4.242 530 3HD2 LEU 66 HD23 LEU 66 8.248 3.950 -4.328 531 H ARG 67 HN ARG 67 3.741 1.919 -7.776 532 HA ARG 67 HA ARG 67 1.733 3.015 -6.028 533 1HB ARG 67 HB2 ARG 67 1.726 2.474 -8.993 534 2HB ARG 67 HB1 ARG 67 0.359 3.151 -8.131 535 1HG ARG 67 HG2 ARG 67 3.087 4.401 -8.397 536 2HG ARG 67 HG1 ARG 67 1.638 4.862 -9.291 537 1HD ARG 67 HD2 ARG 67 0.586 5.266 -6.982 538 2HD ARG 67 HD1 ARG 67 2.228 5.179 -6.370 539 HE ARG 67 HE ARG 67 2.585 7.004 -8.261 540 1HH1 ARG 67 HH11 ARG 67 0.072 6.910 -5.728 541 2HH1 ARG 67 HH12 ARG 67 -0.283 8.566 -5.934 542 1HH2 ARG 67 HH21 ARG 67 2.056 9.164 -8.477 543 2HH2 ARG 67 HH22 ARG 67 0.866 9.903 -7.500 544 H LYS 68 HN LYS 68 2.592 -0.036 -7.210 545 HA LYS 68 HA LYS 68 0.056 -1.273 -6.968 546 1HB LYS 68 HB2 LYS 68 2.009 -2.360 -8.070 547 2HB LYS 68 HB1 LYS 68 2.762 -2.536 -6.487 548 1HG LYS 68 HG2 LYS 68 1.000 -4.025 -5.769 549 2HG LYS 68 HG1 LYS 68 0.150 -3.803 -7.298 550 1HD LYS 68 HD2 LYS 68 2.910 -4.938 -7.007 551 2HD LYS 68 HD1 LYS 68 1.451 -5.931 -7.158 552 1HE LYS 68 HE2 LYS 68 1.013 -4.812 -9.350 553 2HE LYS 68 HE1 LYS 68 2.555 -3.980 -9.190 554 1HZ LYS 68 HZ1 LYS 68 3.649 -6.199 -9.186 555 2HZ LYS 68 HZ2 LYS 68 2.808 -5.826 -10.574 556 3HZ LYS 68 HZ3 LYS 68 2.130 -6.910 -9.473 557 H LEU 69 HN LEU 69 2.303 -0.054 -4.690 558 HA LEU 69 HA LEU 69 1.542 -1.482 -2.384 559 1HB LEU 69 HB2 LEU 69 2.712 1.251 -2.808 560 2HB LEU 69 HB1 LEU 69 2.108 0.820 -1.226 561 HG LEU 69 HG LEU 69 4.519 0.577 -1.353 562 1HD1 LEU 69 HD11 LEU 69 3.316 -0.855 0.149 563 2HD1 LEU 69 HD12 LEU 69 4.719 -1.704 -0.514 564 3HD1 LEU 69 HD13 LEU 69 3.100 -2.055 -1.123 565 1HD2 LEU 69 HD21 LEU 69 5.568 -1.156 -2.736 566 2HD2 LEU 69 HD22 LEU 69 4.762 0.059 -3.732 567 3HD2 LEU 69 HD23 LEU 69 4.003 -1.509 -3.469 568 H GLN 70 HN GLN 70 0.270 1.493 -3.813 569 HA GLN 70 HA GLN 70 -1.776 1.663 -1.877 570 1HB GLN 70 HB2 GLN 70 -2.811 3.336 -3.624 571 2HB GLN 70 HB1 GLN 70 -1.439 3.745 -2.610 572 1HG GLN 70 HG2 GLN 70 0.080 3.340 -4.474 573 2HG GLN 70 HG1 GLN 70 -1.274 2.832 -5.475 574 1HE2 GLN 70 HE21 GLN 70 -2.180 4.341 -6.721 575 2HE2 GLN 70 HE22 GLN 70 -2.112 6.038 -6.444 576 H GLU 71 HN GLU 71 -1.566 -0.044 -4.808 577 HA GLU 71 HA GLU 71 -4.392 -0.478 -4.952 578 1HB GLU 71 HB2 GLU 71 -2.119 -1.949 -6.287 579 2HB GLU 71 HB1 GLU 71 -3.826 -2.208 -6.634 580 1HG GLU 71 HG2 GLU 71 -2.226 0.294 -7.101 581 2HG GLU 71 HG1 GLU 71 -2.927 -0.779 -8.314 582 H MET 72 HN MET 72 -1.922 -1.671 -3.026 583 HA MET 72 HA MET 72 -3.553 -3.976 -2.154 584 1HB MET 72 HB2 MET 72 -0.561 -3.536 -1.900 585 2HB MET 72 HB1 MET 72 -1.439 -4.919 -1.274 586 1HG MET 72 HG2 MET 72 -1.131 -4.192 -4.185 587 2HG MET 72 HG1 MET 72 -0.250 -5.447 -3.325 588 1HE MET 72 HE1 MET 72 -2.499 -6.681 -1.452 589 2HE MET 72 HE2 MET 72 -1.345 -7.649 -2.365 590 3HE MET 72 HE3 MET 72 -3.067 -8.014 -2.459 591 H SER 73 HN SER 73 -3.223 -0.966 -1.505 592 HA SER 73 HA SER 73 -2.261 -0.840 1.165 593 1HB SER 73 HB2 SER 73 -2.051 0.964 -0.512 594 2HB SER 73 HB1 SER 73 -3.785 1.172 -0.510 595 HG SER 73 HG SER 73 -2.818 2.691 0.659 596 H SER 74 HN SER 74 -5.272 -1.263 -0.445 597 HA SER 74 HA SER 74 -7.401 -1.548 0.102 598 1HB SER 74 HB2 SER 74 -6.361 -3.618 1.018 599 2HB SER 74 HB1 SER 74 -6.265 -2.846 2.592 600 HG SER 74 HG SER 74 -8.799 -2.737 1.519 601 H LYS 75 HN LYS 75 -7.715 0.699 0.262 602 HA LYS 75 HA LYS 75 -8.071 1.870 2.876 603 1HB LYS 75 HB2 LYS 75 -8.425 2.779 0.064 604 2HB LYS 75 HB1 LYS 75 -9.437 3.553 1.271 605 1HG LYS 75 HG2 LYS 75 -7.402 4.813 0.835 606 2HG LYS 75 HG1 LYS 75 -7.488 4.259 2.504 607 1HD LYS 75 HD2 LYS 75 -6.017 2.329 1.797 608 2HD LYS 75 HD1 LYS 75 -5.781 3.190 0.271 609 1HE LYS 75 HE2 LYS 75 -3.972 3.687 1.869 610 2HE LYS 75 HE1 LYS 75 -4.912 5.127 1.500 611 1HZ LYS 75 HZ1 LYS 75 -4.441 4.843 3.890 612 2HZ LYS 75 HZ2 LYS 75 -5.389 3.424 3.862 613 3HZ LYS 75 HZ3 LYS 75 -6.079 4.910 3.521 614 H ALA 76 HN ALA 76 -9.823 0.174 0.509 615 HA ALA 76 HA ALA 76 -12.088 0.014 2.313 616 1HB ALA 76 HB1 ALA 76 -13.604 0.117 0.386 617 2HB ALA 76 HB2 ALA 76 -12.232 0.422 -0.679 618 3HB ALA 76 HB3 ALA 76 -12.676 1.610 0.548 619 H GLY 77 HN GLY 77 -13.532 -1.804 1.268 620 1HA GLY 77 HA2 GLY 77 -12.070 -3.936 -0.021 621 2HA GLY 77 HA1 GLY 77 -12.614 -4.263 1.633 622 H SER 78 HN SER 78 -13.766 -2.863 -1.352 623 HA SER 78 HA SER 78 -16.464 -3.025 -0.491 624 1HB SER 78 HB2 SER 78 -15.302 -2.172 -3.125 625 2HB SER 78 HB1 SER 78 -16.926 -1.827 -2.513 626 HG SER 78 HG SER 78 -14.678 -0.479 -2.093 627 H ASP 79 HN ASP 79 -18.030 -4.208 -1.234 628 HA ASP 79 HA ASP 79 -17.445 -6.458 -3.027 629 1HB ASP 79 HB2 ASP 79 -17.898 -7.237 -0.763 630 2HB ASP 79 HB1 ASP 79 -19.345 -6.242 -0.679 631 H THR 80 HN THR 80 -18.463 -6.201 -4.916 632 HA THR 80 HA THR 80 -20.393 -4.179 -5.256 633 HB THR 80 HB THR 80 -20.563 -5.162 -7.601 634 HG1 THR 80 HG1 THR 80 -19.841 -7.248 -7.184 635 1HG2 THR 80 HG21 THR 80 -17.844 -4.308 -6.584 636 2HG2 THR 80 HG22 THR 80 -19.149 -3.233 -7.085 637 3HG2 THR 80 HG23 THR 80 -18.362 -4.275 -8.270 638 H GLU 81 HN GLU 81 -22.204 -4.486 -4.270 639 HA GLU 81 HA GLU 81 -23.668 -6.978 -4.565 640 1HB GLU 81 HB2 GLU 81 -23.692 -5.853 -2.372 641 2HB GLU 81 HB1 GLU 81 -24.360 -4.410 -3.113 642 1HG GLU 81 HG2 GLU 81 -26.386 -5.680 -3.688 643 2HG GLU 81 HG1 GLU 81 -25.702 -7.086 -2.871 644 H LEU 82 HN LEU 82 -24.104 -7.017 -6.713 645 HA LEU 82 HA LEU 82 -25.559 -4.724 -7.830 646 1HB LEU 82 HB2 LEU 82 -23.908 -6.826 -9.225 647 2HB LEU 82 HB1 LEU 82 -24.761 -5.514 -10.011 648 HG LEU 82 HG LEU 82 -22.458 -5.177 -8.091 649 1HD1 LEU 82 HD11 LEU 82 -22.564 -4.914 -11.089 650 2HD1 LEU 82 HD12 LEU 82 -21.761 -6.198 -10.185 651 3HD1 LEU 82 HD13 LEU 82 -21.181 -4.535 -10.063 652 1HD2 LEU 82 HD21 LEU 82 -23.911 -3.170 -9.819 653 2HD2 LEU 82 HD22 LEU 82 -22.486 -2.840 -8.834 654 3HD2 LEU 82 HD23 LEU 82 -24.007 -3.281 -8.062 655 H ALA 83 HN ALA 83 -27.594 -5.074 -8.277 656 HA ALA 83 HA ALA 83 -28.788 -7.645 -8.063 657 1HB ALA 83 HB1 ALA 83 -30.860 -6.501 -8.707 658 2HB ALA 83 HB2 ALA 83 -29.939 -5.059 -9.127 659 3HB ALA 83 HB3 ALA 83 -30.008 -5.601 -7.451 660 H ALA 84 HN ALA 84 -28.308 -9.063 -9.515 661 HA ALA 84 HA ALA 84 -28.041 -8.344 -12.326 662 1HB ALA 84 HB1 ALA 84 -26.376 -9.864 -11.358 663 2HB ALA 84 HB2 ALA 84 -27.315 -10.684 -12.606 664 3HB ALA 84 HB3 ALA 84 -27.655 -10.992 -10.903 665 HA PRO 85 HA PRO 85 -32.210 -9.381 -13.354 666 1HB PRO 85 HB2 PRO 85 -31.025 -10.817 -15.677 667 2HB PRO 85 HB1 PRO 85 -32.290 -9.585 -15.644 668 1HG PRO 85 HG2 PRO 85 -29.838 -8.969 -16.437 669 2HG PRO 85 HG1 PRO 85 -30.782 -7.844 -15.441 670 1HD PRO 85 HD2 PRO 85 -28.524 -9.630 -14.658 671 2HD PRO 85 HD1 PRO 85 -28.918 -7.992 -14.097 672 H LYS 86 HN LYS 86 -33.413 -10.902 -12.625 673 HA LYS 86 HA LYS 86 -32.411 -13.533 -11.961 674 1HB LYS 86 HB2 LYS 86 -35.239 -12.456 -11.865 675 2HB LYS 86 HB1 LYS 86 -34.613 -13.854 -11.004 676 1HG LYS 86 HG2 LYS 86 -33.267 -12.456 -9.594 677 2HG LYS 86 HG1 LYS 86 -33.691 -11.025 -10.535 678 1HD LYS 86 HD2 LYS 86 -36.070 -11.396 -9.927 679 2HD LYS 86 HD1 LYS 86 -35.551 -12.714 -8.874 680 1HE LYS 86 HE2 LYS 86 -34.218 -11.165 -7.564 681 2HE LYS 86 HE1 LYS 86 -34.664 -9.843 -8.643 682 1HZ LYS 86 HZ1 LYS 86 -36.043 -9.810 -6.649 683 2HZ LYS 86 HZ2 LYS 86 -36.520 -11.399 -6.932 684 3HZ LYS 86 HZ3 LYS 86 -36.992 -10.189 -7.991 685 H SER 87 HN SER 87 -34.501 -11.946 -14.230 686 HA SER 87 HA SER 87 -34.098 -14.018 -16.141 687 1HB SER 87 HB2 SER 87 -36.575 -14.157 -16.625 688 2HB SER 87 HB1 SER 87 -36.103 -14.865 -15.083 689 HG SER 87 HG SER 87 -37.657 -12.682 -15.655 690 H LYS 88 HN LYS 88 -33.494 -12.970 -17.877 691 HA LYS 88 HA LYS 88 -33.931 -10.146 -18.156 692 1HB LYS 88 HB2 LYS 88 -32.629 -12.148 -20.016 693 2HB LYS 88 HB1 LYS 88 -32.623 -10.407 -20.249 694 1HG LYS 88 HG2 LYS 88 -31.303 -10.102 -18.243 695 2HG LYS 88 HG1 LYS 88 -31.400 -11.830 -17.891 696 1HD LYS 88 HD2 LYS 88 -30.110 -10.631 -20.347 697 2HD LYS 88 HD1 LYS 88 -29.241 -11.161 -18.908 698 1HE LYS 88 HE2 LYS 88 -30.980 -12.930 -20.628 699 2HE LYS 88 HE1 LYS 88 -29.225 -12.833 -20.737 700 1HZ LYS 88 HZ1 LYS 88 -30.124 -14.719 -19.419 701 2HZ LYS 88 HZ2 LYS 88 -30.609 -13.627 -18.207 702 3HZ LYS 88 HZ3 LYS 88 -28.989 -13.794 -18.618 703 H ASN 89 HN ASN 89 -34.527 -12.880 -20.318 704 HA ASN 89 HA ASN 89 -37.203 -12.359 -20.719 705 1HB ASN 89 HB2 ASN 89 -37.197 -11.615 -23.098 706 2HB ASN 89 HB1 ASN 89 -36.551 -10.396 -22.025 707 1HD2 ASN 89 HD21 ASN 89 -36.300 -10.811 -24.866 708 2HD2 ASN 89 HD22 ASN 89 -34.610 -10.870 -25.233 Start of MODEL 15 1 1H GLY 1 HT1 GLY 1 -15.095 8.231 13.288 2 2H GLY 1 HT2 GLY 1 -15.986 9.273 12.301 3 3H GLY 1 HT3 GLY 1 -15.681 9.689 13.945 4 1HA GLY 1 HA1 GLY 1 -14.238 10.904 12.439 5 2HA GLY 1 HA2 GLY 1 -13.317 9.761 13.428 6 H ASP 2 HN ASP 2 -13.051 10.918 10.584 7 HA ASP 2 HA ASP 2 -13.031 8.336 9.210 8 1HB ASP 2 HB2 ASP 2 -13.240 11.098 8.000 9 2HB ASP 2 HB1 ASP 2 -13.126 9.601 7.084 10 H GLY 3 HN GLY 3 -11.050 10.320 10.810 11 1HA GLY 3 HA2 GLY 3 -8.769 10.389 9.154 12 2HA GLY 3 HA1 GLY 3 -8.760 10.412 10.921 13 H GLU 4 HN GLU 4 -10.145 8.038 11.326 14 HA GLU 4 HA GLU 4 -8.080 6.094 10.866 15 1HB GLU 4 HB2 GLU 4 -10.778 5.839 12.219 16 2HB GLU 4 HB1 GLU 4 -9.561 4.575 12.164 17 1HG GLU 4 HG2 GLU 4 -9.216 7.263 13.469 18 2HG GLU 4 HG1 GLU 4 -9.614 5.761 14.305 19 H ALA 5 HN ALA 5 -8.295 6.239 8.587 20 HA ALA 5 HA ALA 5 -10.337 4.393 7.525 21 1HB ALA 5 HB1 ALA 5 -10.339 5.704 5.434 22 2HB ALA 5 HB2 ALA 5 -9.229 6.862 6.166 23 3HB ALA 5 HB3 ALA 5 -10.862 6.682 6.807 24 H GLN 6 HN GLN 6 -7.501 4.370 8.515 25 HA GLN 6 HA GLN 6 -5.517 3.455 8.156 26 1HB GLN 6 HB2 GLN 6 -6.749 1.488 7.389 27 2HB GLN 6 HB1 GLN 6 -6.845 2.159 5.766 28 1HG GLN 6 HG2 GLN 6 -4.393 2.054 5.607 29 2HG GLN 6 HG1 GLN 6 -4.342 1.314 7.205 30 1HE2 GLN 6 HE21 GLN 6 -3.484 0.326 4.606 31 2HE2 GLN 6 HE22 GLN 6 -4.353 -1.154 4.375 32 H ARG 7 HN ARG 7 -3.665 4.181 7.423 33 HA ARG 7 HA ARG 7 -3.616 6.302 5.526 34 1HB ARG 7 HB2 ARG 7 -1.190 6.280 5.799 35 2HB ARG 7 HB1 ARG 7 -1.987 6.175 7.365 36 1HG ARG 7 HG2 ARG 7 -1.567 3.753 7.396 37 2HG ARG 7 HG1 ARG 7 -0.759 3.904 5.833 38 1HD ARG 7 HD2 ARG 7 0.820 3.816 7.705 39 2HD ARG 7 HD1 ARG 7 0.931 5.307 6.779 40 HE ARG 7 HE ARG 7 -0.128 6.460 8.582 41 1HH1 ARG 7 HH11 ARG 7 0.382 3.087 9.409 42 2HH1 ARG 7 HH12 ARG 7 0.777 3.380 11.032 43 1HH2 ARG 7 HH21 ARG 7 0.294 6.890 10.778 44 2HH2 ARG 7 HH22 ARG 7 0.710 5.633 11.869 45 H ASP 8 HN ASP 8 -2.191 6.279 3.602 46 HA ASP 8 HA ASP 8 -2.818 3.950 1.982 47 1HB ASP 8 HB2 ASP 8 -3.123 6.299 1.147 48 2HB ASP 8 HB1 ASP 8 -1.375 6.492 1.211 49 H LEU 9 HN LEU 9 -1.040 3.010 0.609 50 HA LEU 9 HA LEU 9 1.130 2.464 2.415 51 1HB LEU 9 HB2 LEU 9 0.385 1.153 -0.177 52 2HB LEU 9 HB1 LEU 9 1.718 0.659 0.846 53 HG LEU 9 HG LEU 9 -1.207 0.561 1.549 54 1HD1 LEU 9 HD11 LEU 9 -0.525 -1.167 -0.002 55 2HD1 LEU 9 HD12 LEU 9 -0.845 -1.854 1.592 56 3HD1 LEU 9 HD13 LEU 9 0.817 -1.610 1.055 57 1HD2 LEU 9 HD21 LEU 9 0.130 1.142 3.490 58 2HD2 LEU 9 HD22 LEU 9 1.208 -0.218 3.178 59 3HD2 LEU 9 HD23 LEU 9 -0.474 -0.510 3.626 60 H VAL 10 HN VAL 10 0.622 4.126 -0.629 61 HA VAL 10 HA VAL 10 3.454 4.326 -1.079 62 HB VAL 10 HB VAL 10 1.062 5.659 -2.407 63 1HG1 VAL 10 HG11 VAL 10 2.925 7.292 -2.393 64 2HG1 VAL 10 HG12 VAL 10 2.623 6.674 -4.016 65 3HG1 VAL 10 HG13 VAL 10 3.990 6.068 -3.079 66 1HG2 VAL 10 HG21 VAL 10 1.494 3.354 -2.944 67 2HG2 VAL 10 HG22 VAL 10 3.158 3.744 -3.381 68 3HG2 VAL 10 HG23 VAL 10 1.817 4.390 -4.334 69 H LYS 11 HN LYS 11 0.908 6.147 0.369 70 HA LYS 11 HA LYS 11 2.628 8.354 0.913 71 1HB LYS 11 HB2 LYS 11 -0.147 7.751 1.968 72 2HB LYS 11 HB1 LYS 11 0.826 9.137 2.450 73 1HG LYS 11 HG2 LYS 11 -0.695 9.921 0.805 74 2HG LYS 11 HG1 LYS 11 0.887 9.837 0.044 75 1HD LYS 11 HD2 LYS 11 0.219 7.675 -0.986 76 2HD LYS 11 HD1 LYS 11 -1.388 7.868 -0.277 77 1HE LYS 11 HE2 LYS 11 -1.578 10.040 -1.489 78 2HE LYS 11 HE1 LYS 11 -0.054 9.672 -2.288 79 1HZ LYS 11 HZ1 LYS 11 -2.663 8.270 -2.602 80 2HZ LYS 11 HZ2 LYS 11 -1.234 7.572 -3.134 81 3HZ LYS 11 HZ3 LYS 11 -1.710 9.030 -3.770 82 H ALA 12 HN ALA 12 2.615 5.363 2.182 83 HA ALA 12 HA ALA 12 3.784 6.312 4.695 84 1HB ALA 12 HB1 ALA 12 3.486 4.038 5.550 85 2HB ALA 12 HB2 ALA 12 2.820 3.534 3.996 86 3HB ALA 12 HB3 ALA 12 1.952 4.704 4.991 87 H VAL 13 HN VAL 13 4.264 3.676 2.319 88 HA VAL 13 HA VAL 13 6.944 3.183 3.112 89 HB VAL 13 HB VAL 13 5.440 2.276 0.638 90 1HG1 VAL 13 HG11 VAL 13 7.166 0.537 0.423 91 2HG1 VAL 13 HG12 VAL 13 8.072 1.280 1.745 92 3HG1 VAL 13 HG13 VAL 13 7.828 2.160 0.234 93 1HG2 VAL 13 HG21 VAL 13 6.030 0.885 3.240 94 2HG2 VAL 13 HG22 VAL 13 5.212 0.161 1.849 95 3HG2 VAL 13 HG23 VAL 13 4.459 1.500 2.723 96 H ALA 14 HN ALA 14 5.570 4.737 0.214 97 HA ALA 14 HA ALA 14 8.104 5.326 -0.892 98 1HB ALA 14 HB1 ALA 14 6.062 5.257 -2.289 99 2HB ALA 14 HB2 ALA 14 6.890 6.807 -2.464 100 3HB ALA 14 HB3 ALA 14 5.448 6.673 -1.451 101 H HIS 15 HN HIS 15 6.029 6.905 1.349 102 HA HIS 15 HA HIS 15 7.148 9.481 1.389 103 1HB HIS 15 HB2 HIS 15 5.008 8.733 2.530 104 2HB HIS 15 HB1 HIS 15 6.005 8.014 3.780 105 HD1 HIS 15 HD1 HIS 15 4.080 10.906 3.190 106 HD2 HIS 15 HD2 HIS 15 7.780 10.255 4.956 107 HE1 HIS 15 HE1 HIS 15 4.497 12.899 4.636 108 HE2 HIS 15 HE2 HIS 15 6.890 12.629 5.337 109 H ILE 16 HN ILE 16 8.255 6.463 2.815 110 HA ILE 16 HA ILE 16 10.201 7.541 4.581 111 HB ILE 16 HB ILE 16 10.212 4.853 3.148 112 1HG1 ILE 16 HG12 ILE 16 8.217 5.142 4.554 113 2HG1 ILE 16 HG11 ILE 16 9.286 3.910 5.212 114 1HG2 ILE 16 HG21 ILE 16 12.435 5.396 3.957 115 2HG2 ILE 16 HG22 ILE 16 11.743 4.087 4.912 116 3HG2 ILE 16 HG23 ILE 16 11.791 5.725 5.566 117 1HD1 ILE 16 HD11 ILE 16 10.102 5.513 6.870 118 2HD1 ILE 16 HD12 ILE 16 8.350 5.311 6.964 119 3HD1 ILE 16 HD13 ILE 16 9.035 6.745 6.199 120 H LEU 17 HN LEU 17 10.255 6.575 1.210 121 HA LEU 17 HA LEU 17 13.037 7.295 0.824 122 1HB LEU 17 HB2 LEU 17 10.882 6.581 -1.167 123 2HB LEU 17 HB1 LEU 17 12.572 6.810 -1.560 124 HG LEU 17 HG LEU 17 11.502 4.646 0.254 125 1HD1 LEU 17 HD11 LEU 17 10.821 4.315 -2.069 126 2HD1 LEU 17 HD12 LEU 17 12.040 3.134 -1.589 127 3HD1 LEU 17 HD13 LEU 17 12.495 4.512 -2.593 128 1HD2 LEU 17 HD21 LEU 17 13.764 3.727 0.073 129 2HD2 LEU 17 HD22 LEU 17 13.778 5.332 0.803 130 3HD2 LEU 17 HD23 LEU 17 14.254 5.126 -0.883 131 H GLY 18 HN GLY 18 10.212 8.996 1.064 132 1HA GLY 18 HA2 GLY 18 10.000 11.330 0.977 133 2HA GLY 18 HA1 GLY 18 11.435 11.401 -0.033 134 H ILE 19 HN ILE 19 9.392 9.048 -1.149 135 HA ILE 19 HA ILE 19 8.595 10.836 -3.291 136 HB ILE 19 HB ILE 19 8.093 8.627 -4.490 137 1HG1 ILE 19 HG12 ILE 19 10.138 7.651 -2.489 138 2HG1 ILE 19 HG11 ILE 19 8.460 7.137 -2.597 139 1HG2 ILE 19 HG21 ILE 19 10.905 9.612 -4.015 140 2HG2 ILE 19 HG22 ILE 19 9.763 10.218 -5.214 141 3HG2 ILE 19 HG23 ILE 19 10.418 8.587 -5.362 142 1HD1 ILE 19 HD11 ILE 19 8.900 6.167 -4.793 143 2HD1 ILE 19 HD12 ILE 19 9.968 5.492 -3.559 144 3HD1 ILE 19 HD13 ILE 19 10.579 6.699 -4.688 145 H ARG 20 HN ARG 20 6.770 9.913 -4.544 146 HA ARG 20 HA ARG 20 4.533 8.652 -3.534 147 1HB ARG 20 HB2 ARG 20 4.440 10.629 -1.969 148 2HB ARG 20 HB1 ARG 20 4.448 11.660 -3.399 149 1HG ARG 20 HG2 ARG 20 2.280 10.727 -4.080 150 2HG ARG 20 HG1 ARG 20 2.265 9.723 -2.628 151 1HD ARG 20 HD2 ARG 20 0.922 11.782 -2.370 152 2HD ARG 20 HD1 ARG 20 2.262 11.697 -1.223 153 HE ARG 20 HE ARG 20 3.190 13.043 -3.450 154 1HH1 ARG 20 HH11 ARG 20 0.574 13.665 -1.130 155 2HH1 ARG 20 HH12 ARG 20 0.867 15.350 -1.112 156 1HH2 ARG 20 HH21 ARG 20 3.528 15.255 -3.433 157 2HH2 ARG 20 HH22 ARG 20 2.587 16.301 -2.466 158 H ASP 21 HN ASP 21 5.939 11.304 -5.310 159 HA ASP 21 HA ASP 21 4.150 11.418 -7.457 160 1HB ASP 21 HB2 ASP 21 5.843 12.718 -8.664 161 2HB ASP 21 HB1 ASP 21 5.785 13.235 -6.990 162 H LEU 22 HN LEU 22 7.361 9.872 -7.501 163 HA LEU 22 HA LEU 22 8.191 8.132 -8.691 164 1HB LEU 22 HB2 LEU 22 5.256 7.494 -9.028 165 2HB LEU 22 HB1 LEU 22 6.504 6.554 -9.810 166 HG LEU 22 HG LEU 22 5.568 5.527 -7.803 167 1HD1 LEU 22 HD11 LEU 22 7.733 4.875 -6.822 168 2HD1 LEU 22 HD12 LEU 22 8.478 6.249 -7.644 169 3HD1 LEU 22 HD13 LEU 22 7.783 4.937 -8.587 170 1HD2 LEU 22 HD21 LEU 22 5.190 7.487 -6.384 171 2HD2 LEU 22 HD22 LEU 22 6.919 7.772 -6.288 172 3HD2 LEU 22 HD23 LEU 22 6.226 6.327 -5.559 173 H ALA 23 HN ALA 23 7.694 10.764 -9.790 174 HA ALA 23 HA ALA 23 6.935 10.369 -12.533 175 1HB ALA 23 HB1 ALA 23 8.098 12.785 -11.154 176 2HB ALA 23 HB2 ALA 23 6.378 12.446 -11.361 177 3HB ALA 23 HB3 ALA 23 7.392 12.755 -12.769 178 H GLY 24 HN GLY 24 9.625 9.999 -10.743 179 1HA GLY 24 HA2 GLY 24 11.179 9.348 -13.072 180 2HA GLY 24 HA1 GLY 24 11.867 10.670 -12.108 181 H ILE 25 HN ILE 25 10.149 7.722 -11.253 182 HA ILE 25 HA ILE 25 12.484 6.655 -9.885 183 HB ILE 25 HB ILE 25 9.719 6.902 -8.613 184 1HG1 ILE 25 HG12 ILE 25 10.973 9.068 -8.583 185 2HG1 ILE 25 HG11 ILE 25 10.622 8.434 -6.980 186 1HG2 ILE 25 HG21 ILE 25 10.834 4.848 -7.951 187 2HG2 ILE 25 HG22 ILE 25 10.747 5.956 -6.582 188 3HG2 ILE 25 HG23 ILE 25 12.265 5.755 -7.458 189 1HD1 ILE 25 HD11 ILE 25 13.267 8.264 -8.414 190 2HD1 ILE 25 HD12 ILE 25 12.905 7.633 -6.802 191 3HD1 ILE 25 HD13 ILE 25 12.848 9.370 -7.099 192 H ASN 26 HN ASN 26 12.299 4.360 -9.813 193 HA ASN 26 HA ASN 26 10.892 3.138 -11.916 194 1HB ASN 26 HB2 ASN 26 12.294 1.998 -9.507 195 2HB ASN 26 HB1 ASN 26 11.498 0.977 -10.696 196 1HD2 ASN 26 HD21 ASN 26 12.405 0.743 -12.689 197 2HD2 ASN 26 HD22 ASN 26 14.019 1.211 -13.074 198 H LEU 27 HN LEU 27 8.772 3.144 -11.976 199 HA LEU 27 HA LEU 27 7.310 2.484 -9.544 200 1HB LEU 27 HB2 LEU 27 5.318 3.404 -10.719 201 2HB LEU 27 HB1 LEU 27 6.591 4.554 -10.420 202 HG LEU 27 HG LEU 27 7.237 4.319 -12.862 203 1HD1 LEU 27 HD11 LEU 27 4.583 2.910 -13.038 204 2HD1 LEU 27 HD12 LEU 27 6.163 2.194 -13.356 205 3HD1 LEU 27 HD13 LEU 27 5.544 3.472 -14.409 206 1HD2 LEU 27 HD21 LEU 27 5.993 6.214 -12.017 207 2HD2 LEU 27 HD22 LEU 27 4.480 5.330 -12.209 208 3HD2 LEU 27 HD23 LEU 27 5.430 5.772 -13.630 209 H ASP 28 HN ASP 28 8.477 0.960 -12.148 210 HA ASP 28 HA ASP 28 6.314 -1.029 -12.159 211 1HB ASP 28 HB2 ASP 28 7.007 -1.645 -14.392 212 2HB ASP 28 HB1 ASP 28 6.717 0.089 -14.347 213 H SER 29 HN SER 29 8.930 -0.510 -10.575 214 HA SER 29 HA SER 29 10.153 -3.114 -11.064 215 1HB SER 29 HB2 SER 29 11.292 -0.706 -9.644 216 2HB SER 29 HB1 SER 29 12.131 -2.224 -9.960 217 HG SER 29 HG SER 29 12.717 -1.266 -11.701 218 H SER 30 HN SER 30 10.142 -4.565 -9.555 219 HA SER 30 HA SER 30 8.333 -4.512 -7.416 220 1HB SER 30 HB2 SER 30 10.694 -6.323 -7.888 221 2HB SER 30 HB1 SER 30 9.258 -6.713 -6.953 222 HG SER 30 HG SER 30 9.581 -6.374 -9.728 223 H LEU 31 HN LEU 31 8.726 -4.356 -5.165 224 HA LEU 31 HA LEU 31 10.699 -2.632 -4.236 225 1HB LEU 31 HB2 LEU 31 9.295 -4.745 -2.584 226 2HB LEU 31 HB1 LEU 31 10.109 -3.331 -1.964 227 HG LEU 31 HG LEU 31 7.541 -3.398 -3.540 228 1HD1 LEU 31 HD11 LEU 31 7.296 -4.090 -1.244 229 2HD1 LEU 31 HD12 LEU 31 6.565 -2.506 -1.496 230 3HD1 LEU 31 HD13 LEU 31 8.133 -2.638 -0.695 231 1HD2 LEU 31 HD21 LEU 31 8.826 -1.428 -4.149 232 2HD2 LEU 31 HD22 LEU 31 9.014 -1.013 -2.438 233 3HD2 LEU 31 HD23 LEU 31 7.409 -1.017 -3.182 234 H ALA 32 HN ALA 32 10.804 -6.056 -4.744 235 HA ALA 32 HA ALA 32 13.084 -6.525 -3.123 236 1HB ALA 32 HB1 ALA 32 11.890 -8.170 -5.348 237 2HB ALA 32 HB2 ALA 32 11.763 -8.423 -3.586 238 3HB ALA 32 HB3 ALA 32 13.288 -8.668 -4.406 239 H ASP 33 HN ASP 33 12.590 -5.365 -6.323 240 HA ASP 33 HA ASP 33 15.230 -5.903 -7.290 241 1HB ASP 33 HB2 ASP 33 13.440 -5.587 -8.916 242 2HB ASP 33 HB1 ASP 33 13.118 -3.970 -8.290 243 H LEU 34 HN LEU 34 13.488 -3.358 -5.823 244 HA LEU 34 HA LEU 34 15.432 -1.305 -5.856 245 1HB LEU 34 HB2 LEU 34 13.387 -1.743 -3.702 246 2HB LEU 34 HB1 LEU 34 14.063 -0.230 -4.262 247 HG LEU 34 HG LEU 34 12.140 -1.971 -5.789 248 1HD1 LEU 34 HD11 LEU 34 10.544 -0.183 -5.365 249 2HD1 LEU 34 HD12 LEU 34 11.736 0.608 -4.314 250 3HD1 LEU 34 HD13 LEU 34 11.112 -0.999 -3.909 251 1HD2 LEU 34 HD21 LEU 34 13.606 -0.720 -7.274 252 2HD2 LEU 34 HD22 LEU 34 13.183 0.781 -6.423 253 3HD2 LEU 34 HD23 LEU 34 11.942 -0.129 -7.306 254 H GLY 35 HN GLY 35 14.333 -3.542 -3.346 255 1HA GLY 35 HA2 GLY 35 15.760 -4.705 -1.861 256 2HA GLY 35 HA1 GLY 35 16.973 -3.434 -2.082 257 H LEU 36 HN LEU 36 13.975 -4.277 -0.579 258 HA LEU 36 HA LEU 36 13.619 -1.669 0.508 259 1HB LEU 36 HB2 LEU 36 11.697 -2.529 1.712 260 2HB LEU 36 HB1 LEU 36 11.659 -3.062 0.055 261 HG LEU 36 HG LEU 36 12.661 -5.286 1.075 262 1HD1 LEU 36 HD11 LEU 36 12.977 -4.441 3.338 263 2HD1 LEU 36 HD12 LEU 36 11.819 -5.773 3.304 264 3HD1 LEU 36 HD13 LEU 36 11.245 -4.115 3.458 265 1HD2 LEU 36 HD21 LEU 36 9.775 -4.475 1.389 266 2HD2 LEU 36 HD22 LEU 36 10.382 -6.131 1.350 267 3HD2 LEU 36 HD23 LEU 36 10.524 -5.103 -0.078 268 H ASP 37 HN ASP 37 13.783 -0.985 2.543 269 HA ASP 37 HA ASP 37 16.133 -1.377 3.907 270 1HB ASP 37 HB2 ASP 37 14.875 0.631 4.135 271 2HB ASP 37 HB1 ASP 37 13.475 -0.221 4.739 272 H SER 38 HN SER 38 13.432 -1.825 5.932 273 HA SER 38 HA SER 38 13.470 -4.623 6.409 274 1HB SER 38 HB2 SER 38 14.569 -2.772 8.597 275 2HB SER 38 HB1 SER 38 14.191 -4.477 8.808 276 HG SER 38 HG SER 38 15.912 -3.925 6.741 277 H LEU 39 HN LEU 39 12.949 -1.375 7.718 278 HA LEU 39 HA LEU 39 10.500 -1.849 9.017 279 1HB LEU 39 HB2 LEU 39 11.896 0.135 9.364 280 2HB LEU 39 HB1 LEU 39 11.552 0.660 7.726 281 HG LEU 39 HG LEU 39 9.116 0.657 8.417 282 1HD1 LEU 39 HD11 LEU 39 9.278 -0.603 10.447 283 2HD1 LEU 39 HD12 LEU 39 8.657 1.014 10.783 284 3HD1 LEU 39 HD13 LEU 39 10.336 0.619 11.158 285 1HD2 LEU 39 HD21 LEU 39 10.375 2.625 7.963 286 2HD2 LEU 39 HD22 LEU 39 11.042 2.625 9.604 287 3HD2 LEU 39 HD23 LEU 39 9.308 2.906 9.343 288 H MET 40 HN MET 40 11.414 -1.186 5.775 289 HA MET 40 HA MET 40 8.885 -0.512 4.643 290 1HB MET 40 HB2 MET 40 11.368 -1.601 3.317 291 2HB MET 40 HB1 MET 40 9.968 -0.940 2.490 292 1HG MET 40 HG2 MET 40 10.378 1.228 3.379 293 2HG MET 40 HG1 MET 40 11.678 0.608 4.402 294 1HE MET 40 HE1 MET 40 13.316 2.460 3.480 295 2HE MET 40 HE2 MET 40 12.029 3.098 2.455 296 3HE MET 40 HE3 MET 40 13.613 2.743 1.766 297 H GLY 41 HN GLY 41 9.668 -3.271 6.031 298 1HA GLY 41 HA2 GLY 41 7.812 -4.780 4.326 299 2HA GLY 41 HA1 GLY 41 9.195 -5.552 5.106 300 H VAL 42 HN VAL 42 9.177 -4.298 7.538 301 HA VAL 42 HA VAL 42 7.231 -5.880 8.921 302 HB VAL 42 HB VAL 42 9.143 -3.767 9.969 303 1HG1 VAL 42 HG11 VAL 42 7.703 -5.958 11.449 304 2HG1 VAL 42 HG12 VAL 42 7.381 -4.228 11.567 305 3HG1 VAL 42 HG13 VAL 42 8.921 -4.881 12.131 306 1HG2 VAL 42 HG21 VAL 42 9.488 -6.752 9.741 307 2HG2 VAL 42 HG22 VAL 42 10.598 -5.645 10.560 308 3HG2 VAL 42 HG23 VAL 42 10.339 -5.506 8.822 309 H GLU 43 HN GLU 43 7.506 -2.369 8.357 310 HA GLU 43 HA GLU 43 5.288 -1.861 10.050 311 1HB GLU 43 HB2 GLU 43 6.951 -0.122 9.656 312 2HB GLU 43 HB1 GLU 43 6.564 -0.111 7.942 313 1HG GLU 43 HG2 GLU 43 4.394 0.781 8.364 314 2HG GLU 43 HG1 GLU 43 4.589 0.567 10.100 315 H VAL 44 HN VAL 44 5.708 -2.582 6.716 316 HA VAL 44 HA VAL 44 3.223 -1.882 5.621 317 HB VAL 44 HB VAL 44 4.767 -4.401 5.002 318 1HG1 VAL 44 HG11 VAL 44 2.615 -4.307 3.947 319 2HG1 VAL 44 HG12 VAL 44 3.901 -4.143 2.751 320 3HG1 VAL 44 HG13 VAL 44 2.984 -2.719 3.264 321 1HG2 VAL 44 HG21 VAL 44 6.286 -2.603 5.036 322 2HG2 VAL 44 HG22 VAL 44 5.263 -1.621 3.972 323 3HG2 VAL 44 HG23 VAL 44 6.032 -3.107 3.372 324 H ARG 45 HN ARG 45 4.363 -4.826 7.108 325 HA ARG 45 HA ARG 45 2.048 -6.356 7.122 326 1HB ARG 45 HB2 ARG 45 4.262 -6.229 9.155 327 2HB ARG 45 HB1 ARG 45 3.156 -7.566 9.056 328 1HG ARG 45 HG2 ARG 45 4.022 -7.966 6.729 329 2HG ARG 45 HG1 ARG 45 5.234 -6.725 7.065 330 1HD ARG 45 HD2 ARG 45 4.851 -9.376 8.432 331 2HD ARG 45 HD1 ARG 45 6.269 -8.792 7.556 332 HE ARG 45 HE ARG 45 5.488 -7.233 9.834 333 1HH1 ARG 45 HH11 ARG 45 7.756 -9.754 8.659 334 2HH1 ARG 45 HH12 ARG 45 8.613 -9.791 10.115 335 1HH2 ARG 45 HH21 ARG 45 6.635 -7.435 11.816 336 2HH2 ARG 45 HH22 ARG 45 8.033 -8.424 11.940 337 H GLN 46 HN GLN 46 3.299 -4.123 9.585 338 HA GLN 46 HA GLN 46 1.192 -4.446 11.431 339 1HB GLN 46 HB2 GLN 46 3.130 -2.156 11.088 340 2HB GLN 46 HB1 GLN 46 2.046 -2.345 12.461 341 1HG GLN 46 HG2 GLN 46 3.125 -4.391 13.098 342 2HG GLN 46 HG1 GLN 46 4.122 -4.353 11.650 343 1HE2 GLN 46 HE21 GLN 46 5.944 -4.404 12.788 344 2HE2 GLN 46 HE22 GLN 46 6.623 -3.083 13.661 345 H ILE 47 HN ILE 47 1.317 -2.617 8.523 346 HA ILE 47 HA ILE 47 -0.864 -0.891 9.266 347 HB ILE 47 HB ILE 47 0.422 -1.402 6.557 348 1HG1 ILE 47 HG12 ILE 47 0.679 0.965 8.432 349 2HG1 ILE 47 HG11 ILE 47 1.884 -0.298 8.206 350 1HG2 ILE 47 HG21 ILE 47 -1.892 -0.687 6.273 351 2HG2 ILE 47 HG22 ILE 47 -0.786 0.596 5.777 352 3HG2 ILE 47 HG23 ILE 47 -1.609 0.694 7.335 353 1HD1 ILE 47 HD11 ILE 47 0.951 1.646 6.102 354 2HD1 ILE 47 HD12 ILE 47 2.177 0.395 5.886 355 3HD1 ILE 47 HD13 ILE 47 2.467 1.734 6.999 356 H LEU 48 HN LEU 48 -0.397 -3.353 6.787 357 HA LEU 48 HA LEU 48 -3.139 -3.493 6.128 358 1HB LEU 48 HB2 LEU 48 -0.875 -5.369 5.508 359 2HB LEU 48 HB1 LEU 48 -2.498 -5.696 4.975 360 HG LEU 48 HG LEU 48 -1.365 -4.806 3.139 361 1HD1 LEU 48 HD11 LEU 48 -3.576 -3.932 3.348 362 2HD1 LEU 48 HD12 LEU 48 -2.504 -2.712 2.648 363 3HD1 LEU 48 HD13 LEU 48 -2.966 -2.615 4.354 364 1HD2 LEU 48 HD21 LEU 48 0.559 -3.855 4.253 365 2HD2 LEU 48 HD22 LEU 48 -0.436 -2.543 4.884 366 3HD2 LEU 48 HD23 LEU 48 -0.154 -2.679 3.148 367 H GLU 49 HN GLU 49 -1.173 -5.553 8.180 368 HA GLU 49 HA GLU 49 -3.159 -7.504 8.601 369 1HB GLU 49 HB2 GLU 49 -0.830 -8.075 8.772 370 2HB GLU 49 HB1 GLU 49 -0.561 -6.868 10.000 371 1HG GLU 49 HG2 GLU 49 -2.337 -9.231 10.499 372 2HG GLU 49 HG1 GLU 49 -0.588 -9.358 10.622 373 H ARG 50 HN ARG 50 -2.204 -4.659 10.447 374 HA ARG 50 HA ARG 50 -4.036 -5.446 12.541 375 1HB ARG 50 HB2 ARG 50 -2.360 -2.950 12.382 376 2HB ARG 50 HB1 ARG 50 -3.273 -3.508 13.780 377 1HG ARG 50 HG2 ARG 50 -1.865 -5.553 13.793 378 2HG ARG 50 HG1 ARG 50 -0.887 -4.826 12.516 379 1HD ARG 50 HD2 ARG 50 -1.318 -3.774 15.306 380 2HD ARG 50 HD1 ARG 50 0.165 -4.457 14.649 381 HE ARG 50 HE ARG 50 -0.723 -2.245 13.125 382 1HH1 ARG 50 HH11 ARG 50 1.157 -3.140 16.002 383 2HH1 ARG 50 HH12 ARG 50 1.846 -1.594 16.210 384 1HH2 ARG 50 HH21 ARG 50 0.183 -0.123 13.438 385 2HH2 ARG 50 HH22 ARG 50 1.292 0.166 14.708 386 H GLU 51 HN GLU 51 -3.982 -3.081 9.947 387 HA GLU 51 HA GLU 51 -6.262 -1.698 11.005 388 1HB GLU 51 HB2 GLU 51 -4.788 -1.474 8.397 389 2HB GLU 51 HB1 GLU 51 -6.186 -0.491 8.776 390 1HG GLU 51 HG2 GLU 51 -3.713 -0.553 10.488 391 2HG GLU 51 HG1 GLU 51 -3.919 0.558 9.136 392 H HIS 52 HN HIS 52 -5.750 -3.992 8.293 393 HA HIS 52 HA HIS 52 -8.690 -4.214 8.183 394 1HB HIS 52 HB2 HIS 52 -6.861 -3.595 5.934 395 2HB HIS 52 HB1 HIS 52 -8.222 -4.653 5.597 396 HD1 HIS 52 HD1 HIS 52 -9.826 -3.227 4.384 397 HD2 HIS 52 HD2 HIS 52 -8.258 -1.264 7.691 398 HE1 HIS 52 HE1 HIS 52 -11.044 -1.045 4.514 399 HE2 HIS 52 HE2 HIS 52 -10.261 0.000 6.644 400 H ASP 53 HN ASP 53 -6.257 -6.009 9.055 401 HA ASP 53 HA ASP 53 -5.992 -8.225 9.430 402 1HB ASP 53 HB2 ASP 53 -8.639 -8.589 8.002 403 2HB ASP 53 HB1 ASP 53 -7.740 -9.906 8.729 404 H LEU 54 HN LEU 54 -5.328 -6.882 6.722 405 HA LEU 54 HA LEU 54 -5.011 -9.278 5.105 406 1HB LEU 54 HB2 LEU 54 -4.304 -6.396 4.587 407 2HB LEU 54 HB1 LEU 54 -3.650 -7.667 3.578 408 HG LEU 54 HG LEU 54 -6.038 -8.262 3.003 409 1HD1 LEU 54 HD11 LEU 54 -6.614 -5.627 4.321 410 2HD1 LEU 54 HD12 LEU 54 -7.150 -7.210 4.879 411 3HD1 LEU 54 HD13 LEU 54 -7.740 -6.569 3.344 412 1HD2 LEU 54 HD21 LEU 54 -6.275 -6.424 1.408 413 2HD2 LEU 54 HD22 LEU 54 -4.617 -7.026 1.487 414 3HD2 LEU 54 HD23 LEU 54 -5.046 -5.512 2.286 415 H VAL 55 HN VAL 55 -3.607 -10.570 6.161 416 HA VAL 55 HA VAL 55 -1.134 -9.437 7.122 417 HB VAL 55 HB VAL 55 -1.811 -12.386 6.954 418 1HG1 VAL 55 HG11 VAL 55 0.535 -11.908 7.296 419 2HG1 VAL 55 HG12 VAL 55 -0.159 -12.594 8.763 420 3HG1 VAL 55 HG13 VAL 55 0.148 -10.859 8.655 421 1HG2 VAL 55 HG21 VAL 55 -2.332 -10.488 9.243 422 2HG2 VAL 55 HG22 VAL 55 -2.535 -12.239 9.295 423 3HG2 VAL 55 HG23 VAL 55 -3.555 -11.261 8.237 424 H LEU 56 HN LEU 56 -0.371 -8.613 5.231 425 HA LEU 56 HA LEU 56 0.335 -10.421 3.071 426 1HB LEU 56 HB2 LEU 56 0.844 -7.464 3.360 427 2HB LEU 56 HB1 LEU 56 1.114 -8.414 1.922 428 HG LEU 56 HG LEU 56 -1.582 -7.812 3.145 429 1HD1 LEU 56 HD11 LEU 56 -1.937 -6.498 1.118 430 2HD1 LEU 56 HD12 LEU 56 -0.288 -6.851 0.604 431 3HD1 LEU 56 HD13 LEU 56 -0.571 -5.892 2.056 432 1HD2 LEU 56 HD21 LEU 56 -2.508 -8.893 1.156 433 2HD2 LEU 56 HD22 LEU 56 -1.544 -10.024 2.105 434 3HD2 LEU 56 HD23 LEU 56 -0.881 -9.325 0.627 435 HA PRO 57 HA PRO 57 4.287 -10.752 5.118 436 1HB PRO 57 HB2 PRO 57 4.753 -12.963 3.333 437 2HB PRO 57 HB1 PRO 57 4.490 -13.012 5.077 438 1HG PRO 57 HG2 PRO 57 2.712 -14.007 3.278 439 2HG PRO 57 HG1 PRO 57 2.216 -13.318 4.840 440 1HD PRO 57 HD2 PRO 57 2.240 -12.053 2.132 441 2HD PRO 57 HD1 PRO 57 0.968 -12.022 3.379 442 H ILE 58 HN ILE 58 6.531 -10.980 4.269 443 HA ILE 58 HA ILE 58 6.991 -8.920 2.444 444 HB ILE 58 HB ILE 58 8.819 -10.819 3.869 445 1HG1 ILE 58 HG12 ILE 58 9.834 -8.561 4.563 446 2HG1 ILE 58 HG11 ILE 58 8.478 -7.893 3.645 447 1HG2 ILE 58 HG21 ILE 58 9.819 -8.988 1.686 448 2HG2 ILE 58 HG22 ILE 58 9.849 -10.745 1.659 449 3HG2 ILE 58 HG23 ILE 58 10.820 -9.867 2.837 450 1HD1 ILE 58 HD11 ILE 58 6.898 -8.844 5.162 451 2HD1 ILE 58 HD12 ILE 58 8.077 -7.891 6.062 452 3HD1 ILE 58 HD13 ILE 58 8.186 -9.651 6.055 453 H ARG 59 HN ARG 59 6.950 -12.323 1.903 454 HA ARG 59 HA ARG 59 7.974 -12.138 -0.728 455 1HB ARG 59 HB2 ARG 59 7.281 -14.444 -1.117 456 2HB ARG 59 HB1 ARG 59 8.089 -14.264 0.422 457 1HG ARG 59 HG2 ARG 59 5.100 -14.486 0.091 458 2HG ARG 59 HG1 ARG 59 6.178 -15.836 0.434 459 1HD ARG 59 HD2 ARG 59 5.719 -13.415 2.173 460 2HD ARG 59 HD1 ARG 59 5.105 -15.034 2.476 461 HE ARG 59 HE ARG 59 7.981 -14.818 2.258 462 1HH1 ARG 59 HH11 ARG 59 5.241 -15.322 4.356 463 2HH1 ARG 59 HH12 ARG 59 6.070 -15.189 5.836 464 1HH2 ARG 59 HH21 ARG 59 9.254 -14.728 4.279 465 2HH2 ARG 59 HH22 ARG 59 8.443 -14.875 5.773 466 H GLU 60 HN GLU 60 4.990 -11.140 0.408 467 HA GLU 60 HA GLU 60 3.805 -11.191 -2.307 468 1HB GLU 60 HB2 GLU 60 2.617 -10.301 0.341 469 2HB GLU 60 HB1 GLU 60 1.770 -10.345 -1.193 470 1HG GLU 60 HG2 GLU 60 2.832 -12.744 0.277 471 2HG GLU 60 HG1 GLU 60 1.158 -12.178 0.310 472 H VAL 61 HN VAL 61 4.977 -9.149 0.262 473 HA VAL 61 HA VAL 61 4.239 -6.692 -0.919 474 HB VAL 61 HB VAL 61 6.360 -7.254 1.188 475 1HG1 VAL 61 HG11 VAL 61 5.011 -4.653 0.476 476 2HG1 VAL 61 HG12 VAL 61 6.699 -5.066 0.180 477 3HG1 VAL 61 HG13 VAL 61 6.109 -4.908 1.833 478 1HG2 VAL 61 HG21 VAL 61 4.643 -6.584 2.801 479 2HG2 VAL 61 HG22 VAL 61 4.163 -8.011 1.883 480 3HG2 VAL 61 HG23 VAL 61 3.473 -6.437 1.490 481 H ARG 62 HN ARG 62 7.124 -8.655 -1.096 482 HA ARG 62 HA ARG 62 8.771 -6.710 -2.215 483 1HB ARG 62 HB2 ARG 62 8.989 -9.613 -1.896 484 2HB ARG 62 HB1 ARG 62 10.066 -8.869 -3.063 485 1HG ARG 62 HG2 ARG 62 10.756 -7.265 -1.252 486 2HG ARG 62 HG1 ARG 62 9.775 -8.205 -0.133 487 1HD ARG 62 HD2 ARG 62 11.165 -10.151 -0.496 488 2HD ARG 62 HD1 ARG 62 12.094 -9.296 -1.730 489 HE ARG 62 HE ARG 62 12.239 -7.766 0.566 490 1HH1 ARG 62 HH11 ARG 62 13.324 -11.026 -0.400 491 2HH1 ARG 62 HH12 ARG 62 14.642 -11.013 0.662 492 1HH2 ARG 62 HH21 ARG 62 14.134 -7.821 2.056 493 2HH2 ARG 62 HH22 ARG 62 15.090 -9.209 2.024 494 H GLN 63 HN GLN 63 6.270 -8.313 -3.866 495 HA GLN 63 HA GLN 63 7.648 -7.751 -6.396 496 1HB GLN 63 HB2 GLN 63 5.787 -8.923 -7.580 497 2HB GLN 63 HB1 GLN 63 6.616 -9.962 -6.435 498 1HG GLN 63 HG2 GLN 63 4.222 -8.555 -5.467 499 2HG GLN 63 HG1 GLN 63 3.970 -9.789 -6.700 500 1HE2 GLN 63 HE21 GLN 63 6.647 -10.135 -4.590 501 2HE2 GLN 63 HE22 GLN 63 5.952 -11.352 -3.569 502 H LEU 64 HN LEU 64 5.868 -6.160 -4.257 503 HA LEU 64 HA LEU 64 4.067 -4.873 -6.027 504 1HB LEU 64 HB2 LEU 64 5.096 -3.908 -3.350 505 2HB LEU 64 HB1 LEU 64 3.721 -3.249 -4.212 506 HG LEU 64 HG LEU 64 3.937 -5.993 -3.018 507 1HD1 LEU 64 HD11 LEU 64 2.276 -3.619 -2.213 508 2HD1 LEU 64 HD12 LEU 64 3.654 -4.289 -1.339 509 3HD1 LEU 64 HD13 LEU 64 2.170 -5.229 -1.501 510 1HD2 LEU 64 HD21 LEU 64 1.563 -6.259 -3.617 511 2HD2 LEU 64 HD22 LEU 64 2.589 -6.074 -5.040 512 3HD2 LEU 64 HD23 LEU 64 1.619 -4.716 -4.470 513 H THR 65 HN THR 65 4.409 -3.012 -7.203 514 HA THR 65 HA THR 65 7.173 -2.447 -7.789 515 HB THR 65 HB THR 65 6.019 -1.354 -9.738 516 HG1 THR 65 HG1 THR 65 3.843 -1.549 -9.848 517 1HG2 THR 65 HG21 THR 65 5.348 -4.225 -9.116 518 2HG2 THR 65 HG22 THR 65 6.903 -3.677 -9.718 519 3HG2 THR 65 HG23 THR 65 5.453 -3.527 -10.738 520 H LEU 66 HN LEU 66 6.121 -1.328 -5.368 521 HA LEU 66 HA LEU 66 6.081 0.551 -4.148 522 1HB LEU 66 HB2 LEU 66 8.213 0.992 -5.534 523 2HB LEU 66 HB1 LEU 66 7.233 2.038 -6.532 524 HG LEU 66 HG LEU 66 8.610 3.298 -4.932 525 1HD1 LEU 66 HD11 LEU 66 6.547 4.288 -5.634 526 2HD1 LEU 66 HD12 LEU 66 6.870 4.697 -3.937 527 3HD1 LEU 66 HD13 LEU 66 5.689 3.442 -4.354 528 1HD2 LEU 66 HD21 LEU 66 8.736 1.665 -3.140 529 2HD2 LEU 66 HD22 LEU 66 7.016 1.877 -2.810 530 3HD2 LEU 66 HD23 LEU 66 8.137 3.212 -2.534 531 H ARG 67 HN ARG 67 5.113 1.442 -7.427 532 HA ARG 67 HA ARG 67 3.081 3.238 -6.604 533 1HB ARG 67 HB2 ARG 67 3.798 1.928 -9.150 534 2HB ARG 67 HB1 ARG 67 2.173 2.575 -9.001 535 1HG ARG 67 HG2 ARG 67 4.715 4.114 -8.577 536 2HG ARG 67 HG1 ARG 67 3.697 4.167 -10.022 537 1HD ARG 67 HD2 ARG 67 1.804 4.810 -8.431 538 2HD ARG 67 HD1 ARG 67 3.071 5.087 -7.245 539 HE ARG 67 HE ARG 67 3.784 6.955 -8.411 540 1HH1 ARG 67 HH11 ARG 67 1.160 5.333 -10.170 541 2HH1 ARG 67 HH12 ARG 67 0.940 6.552 -11.306 542 1HH2 ARG 67 HH21 ARG 67 3.513 8.686 -9.998 543 2HH2 ARG 67 HH22 ARG 67 2.386 8.494 -11.259 544 H LYS 68 HN LYS 68 3.076 -0.191 -7.242 545 HA LYS 68 HA LYS 68 0.280 -0.545 -7.269 546 1HB LYS 68 HB2 LYS 68 1.985 -2.208 -8.063 547 2HB LYS 68 HB1 LYS 68 2.308 -2.578 -6.372 548 1HG LYS 68 HG2 LYS 68 0.022 -3.292 -6.054 549 2HG LYS 68 HG1 LYS 68 -0.348 -2.892 -7.730 550 1HD LYS 68 HD2 LYS 68 1.633 -4.911 -6.782 551 2HD LYS 68 HD1 LYS 68 -0.011 -5.243 -7.381 552 1HE LYS 68 HE2 LYS 68 2.244 -3.997 -8.987 553 2HE LYS 68 HE1 LYS 68 1.696 -5.663 -9.128 554 1HZ LYS 68 HZ1 LYS 68 0.053 -3.257 -9.714 555 2HZ LYS 68 HZ2 LYS 68 -0.453 -4.875 -9.888 556 3HZ LYS 68 HZ3 LYS 68 0.797 -4.248 -10.848 557 H LEU 69 HN LEU 69 2.404 0.079 -4.733 558 HA LEU 69 HA LEU 69 1.131 -1.073 -2.517 559 1HB LEU 69 HB2 LEU 69 2.759 1.431 -2.795 560 2HB LEU 69 HB1 LEU 69 1.939 1.110 -1.290 561 HG LEU 69 HG LEU 69 4.296 0.496 -1.195 562 1HD1 LEU 69 HD11 LEU 69 2.776 -0.719 0.209 563 2HD1 LEU 69 HD12 LEU 69 4.077 -1.773 -0.346 564 3HD1 LEU 69 HD13 LEU 69 2.478 -1.885 -1.081 565 1HD2 LEU 69 HD21 LEU 69 3.650 -1.523 -3.329 566 2HD2 LEU 69 HD22 LEU 69 5.190 -1.375 -2.470 567 3HD2 LEU 69 HD23 LEU 69 4.633 -0.080 -3.534 568 H GLN 70 HN GLN 70 0.268 1.831 -4.300 569 HA GLN 70 HA GLN 70 -1.710 2.437 -2.308 570 1HB GLN 70 HB2 GLN 70 -2.191 4.498 -3.549 571 2HB GLN 70 HB1 GLN 70 -0.513 4.331 -3.084 572 1HG GLN 70 HG2 GLN 70 0.059 3.693 -5.334 573 2HG GLN 70 HG1 GLN 70 -1.628 3.911 -5.869 574 1HE2 GLN 70 HE21 GLN 70 0.614 5.229 -6.906 575 2HE2 GLN 70 HE22 GLN 70 0.499 6.919 -6.533 576 H GLU 71 HN GLU 71 -1.760 0.392 -4.885 577 HA GLU 71 HA GLU 71 -4.647 0.838 -5.214 578 1HB GLU 71 HB2 GLU 71 -4.607 -0.713 -7.096 579 2HB GLU 71 HB1 GLU 71 -3.290 0.427 -7.305 580 1HG GLU 71 HG2 GLU 71 -1.691 -1.152 -6.600 581 2HG GLU 71 HG1 GLU 71 -2.956 -2.310 -6.192 582 H MET 72 HN MET 72 -2.486 -0.787 -3.408 583 HA MET 72 HA MET 72 -4.425 -2.862 -2.609 584 1HB MET 72 HB2 MET 72 -1.392 -2.881 -2.421 585 2HB MET 72 HB1 MET 72 -2.446 -4.131 -1.791 586 1HG MET 72 HG2 MET 72 -2.141 -3.404 -4.702 587 2HG MET 72 HG1 MET 72 -1.369 -4.756 -3.893 588 1HE MET 72 HE1 MET 72 -3.604 -5.854 -1.958 589 2HE MET 72 HE2 MET 72 -2.622 -6.895 -2.986 590 3HE MET 72 HE3 MET 72 -4.376 -7.073 -2.972 591 H SER 73 HN SER 73 -3.988 0.033 -1.845 592 HA SER 73 HA SER 73 -2.658 -0.096 0.656 593 1HB SER 73 HB2 SER 73 -3.135 2.345 0.738 594 2HB SER 73 HB1 SER 73 -2.227 1.803 -0.671 595 HG SER 73 HG SER 73 -3.863 3.265 -1.197 596 H SER 74 HN SER 74 -5.702 -0.897 -0.230 597 HA SER 74 HA SER 74 -7.661 -1.249 0.764 598 1HB SER 74 HB2 SER 74 -6.101 -0.931 3.340 599 2HB SER 74 HB1 SER 74 -7.686 -1.689 3.183 600 HG SER 74 HG SER 74 -6.004 -2.783 1.413 601 H LYS 75 HN LYS 75 -8.689 0.516 -0.031 602 HA LYS 75 HA LYS 75 -9.177 2.670 1.881 603 1HB LYS 75 HB2 LYS 75 -8.621 2.948 -1.081 604 2HB LYS 75 HB1 LYS 75 -9.312 4.230 -0.095 605 1HG LYS 75 HG2 LYS 75 -6.668 2.930 0.485 606 2HG LYS 75 HG1 LYS 75 -6.853 4.404 -0.473 607 1HD LYS 75 HD2 LYS 75 -7.668 5.624 1.349 608 2HD LYS 75 HD1 LYS 75 -8.023 4.165 2.277 609 1HE LYS 75 HE2 LYS 75 -5.246 5.016 1.504 610 2HE LYS 75 HE1 LYS 75 -6.014 5.467 3.028 611 1HZ LYS 75 HZ1 LYS 75 -4.665 3.490 3.342 612 2HZ LYS 75 HZ2 LYS 75 -5.504 2.646 2.143 613 3HZ LYS 75 HZ3 LYS 75 -6.286 3.123 3.533 614 H ALA 76 HN ALA 76 -11.116 2.142 2.492 615 HA ALA 76 HA ALA 76 -13.037 1.057 0.605 616 1HB ALA 76 HB1 ALA 76 -12.819 0.020 2.815 617 2HB ALA 76 HB2 ALA 76 -14.437 0.678 2.568 618 3HB ALA 76 HB3 ALA 76 -13.275 1.546 3.575 619 H GLY 77 HN GLY 77 -14.162 2.409 -0.550 620 1HA GLY 77 HA2 GLY 77 -14.657 5.116 0.377 621 2HA GLY 77 HA1 GLY 77 -15.050 4.457 -1.212 622 H SER 78 HN SER 78 -17.078 5.697 -0.647 623 HA SER 78 HA SER 78 -18.818 4.490 1.281 624 1HB SER 78 HB2 SER 78 -18.823 6.939 0.634 625 2HB SER 78 HB1 SER 78 -19.482 6.462 -0.926 626 HG SER 78 HG SER 78 -20.788 5.562 1.366 627 H ASP 79 HN ASP 79 -17.980 4.097 -2.032 628 HA ASP 79 HA ASP 79 -20.332 2.831 -2.917 629 1HB ASP 79 HB2 ASP 79 -19.113 2.091 -4.857 630 2HB ASP 79 HB1 ASP 79 -18.590 3.720 -4.482 631 H THR 80 HN THR 80 -21.035 0.842 -2.776 632 HA THR 80 HA THR 80 -19.460 -1.275 -1.652 633 HB THR 80 HB THR 80 -22.002 -0.215 -0.324 634 HG1 THR 80 HG1 THR 80 -20.171 1.181 -0.011 635 1HG2 THR 80 HG21 THR 80 -21.415 -1.741 1.515 636 2HG2 THR 80 HG22 THR 80 -19.992 -2.276 0.618 637 3HG2 THR 80 HG23 THR 80 -21.608 -2.624 0.001 638 H GLU 81 HN GLU 81 -20.758 -3.245 -2.045 639 HA GLU 81 HA GLU 81 -22.349 -3.227 -4.339 640 1HB GLU 81 HB2 GLU 81 -22.338 -5.243 -2.084 641 2HB GLU 81 HB1 GLU 81 -23.145 -5.492 -3.627 642 1HG GLU 81 HG2 GLU 81 -20.957 -5.251 -4.755 643 2HG GLU 81 HG1 GLU 81 -20.193 -5.142 -3.170 644 H LEU 82 HN LEU 82 -23.401 -3.452 -0.956 645 HA LEU 82 HA LEU 82 -25.923 -2.412 -1.854 646 1HB LEU 82 HB2 LEU 82 -26.589 -2.699 0.671 647 2HB LEU 82 HB1 LEU 82 -26.565 -4.062 -0.413 648 HG LEU 82 HG LEU 82 -24.343 -4.716 0.555 649 1HD1 LEU 82 HD11 LEU 82 -24.917 -2.580 2.594 650 2HD1 LEU 82 HD12 LEU 82 -23.596 -2.578 1.428 651 3HD1 LEU 82 HD13 LEU 82 -23.651 -3.803 2.699 652 1HD2 LEU 82 HD21 LEU 82 -26.643 -4.493 2.474 653 2HD2 LEU 82 HD22 LEU 82 -25.271 -5.592 2.628 654 3HD2 LEU 82 HD23 LEU 82 -26.388 -5.762 1.276 655 H ALA 83 HN ALA 83 -25.301 -0.465 -2.498 656 HA ALA 83 HA ALA 83 -24.707 1.446 -0.330 657 1HB ALA 83 HB1 ALA 83 -23.501 2.807 -1.956 658 2HB ALA 83 HB2 ALA 83 -23.849 1.623 -3.216 659 3HB ALA 83 HB3 ALA 83 -22.812 1.185 -1.859 660 H ALA 84 HN ALA 84 -27.104 0.406 -2.201 661 HA ALA 84 HA ALA 84 -28.184 3.062 -2.768 662 1HB ALA 84 HB1 ALA 84 -28.130 1.517 -4.670 663 2HB ALA 84 HB2 ALA 84 -29.789 1.874 -4.198 664 3HB ALA 84 HB3 ALA 84 -29.055 0.337 -3.743 665 HA PRO 85 HA PRO 85 -30.703 2.150 0.840 666 1HB PRO 85 HB2 PRO 85 -31.809 4.826 0.502 667 2HB PRO 85 HB1 PRO 85 -30.767 4.228 1.796 668 1HG PRO 85 HG2 PRO 85 -29.941 6.051 -0.056 669 2HG PRO 85 HG1 PRO 85 -28.845 4.905 0.741 670 1HD PRO 85 HD2 PRO 85 -30.084 4.763 -1.981 671 2HD PRO 85 HD1 PRO 85 -28.428 4.368 -1.480 672 H LYS 86 HN LYS 86 -32.154 0.747 0.045 673 HA LYS 86 HA LYS 86 -34.525 1.849 -1.285 674 1HB LYS 86 HB2 LYS 86 -32.980 0.856 -2.992 675 2HB LYS 86 HB1 LYS 86 -33.112 -0.681 -2.154 676 1HG LYS 86 HG2 LYS 86 -35.564 -0.639 -2.587 677 2HG LYS 86 HG1 LYS 86 -35.318 0.821 -3.548 678 1HD LYS 86 HD2 LYS 86 -34.110 -1.898 -4.082 679 2HD LYS 86 HD1 LYS 86 -35.429 -1.151 -4.978 680 1HE LYS 86 HE2 LYS 86 -32.610 -0.085 -4.777 681 2HE LYS 86 HE1 LYS 86 -33.274 -0.967 -6.151 682 1HZ LYS 86 HZ1 LYS 86 -34.877 0.862 -6.462 683 2HZ LYS 86 HZ2 LYS 86 -33.279 1.365 -6.558 684 3HZ LYS 86 HZ3 LYS 86 -34.144 1.727 -5.193 685 H SER 87 HN SER 87 -32.967 -0.988 0.184 686 HA SER 87 HA SER 87 -35.324 -2.353 0.801 687 1HB SER 87 HB2 SER 87 -32.538 -2.577 1.930 688 2HB SER 87 HB1 SER 87 -33.829 -3.757 2.146 689 HG SER 87 HG SER 87 -33.832 -4.169 0.002 690 H LYS 88 HN LYS 88 -36.738 -1.419 2.040 691 HA LYS 88 HA LYS 88 -35.920 -0.680 4.754 692 1HB LYS 88 HB2 LYS 88 -36.458 1.379 3.393 693 2HB LYS 88 HB1 LYS 88 -38.072 0.729 3.132 694 1HG LYS 88 HG2 LYS 88 -38.452 0.773 5.562 695 2HG LYS 88 HG1 LYS 88 -36.857 1.484 5.782 696 1HD LYS 88 HD2 LYS 88 -38.527 3.230 5.862 697 2HD LYS 88 HD1 LYS 88 -37.578 3.409 4.390 698 1HE LYS 88 HE2 LYS 88 -39.345 2.360 3.093 699 2HE LYS 88 HE1 LYS 88 -40.273 2.066 4.560 700 1HZ LYS 88 HZ1 LYS 88 -41.047 4.003 3.329 701 2HZ LYS 88 HZ2 LYS 88 -39.540 4.746 3.513 702 3HZ LYS 88 HZ3 LYS 88 -40.500 4.425 4.874 703 H ASN 89 HN ASN 89 -38.793 -1.149 2.694 704 HA ASN 89 HA ASN 89 -39.505 -3.616 3.590 705 1HB ASN 89 HB2 ASN 89 -41.613 -3.154 4.766 706 2HB ASN 89 HB1 ASN 89 -40.307 -2.416 5.677 707 1HD2 ASN 89 HD21 ASN 89 -40.342 -0.269 6.001 708 2HD2 ASN 89 HD22 ASN 89 -41.612 0.783 5.460 Start of MODEL 16 1 1H GLY 1 HT1 GLY 1 -12.826 6.959 14.880 2 2H GLY 1 HT2 GLY 1 -11.886 6.020 15.935 3 3H GLY 1 HT3 GLY 1 -12.814 5.248 14.744 4 1HA GLY 1 HA1 GLY 1 -10.512 5.290 14.142 5 2HA GLY 1 HA2 GLY 1 -11.437 6.338 13.066 6 H ASP 2 HN ASP 2 -8.902 6.871 13.108 7 HA ASP 2 HA ASP 2 -8.408 9.005 15.055 8 1HB ASP 2 HB2 ASP 2 -6.621 7.358 14.774 9 2HB ASP 2 HB1 ASP 2 -6.603 7.648 13.037 10 H GLY 3 HN GLY 3 -8.474 8.257 11.637 11 1HA GLY 3 HA2 GLY 3 -9.761 10.496 10.733 12 2HA GLY 3 HA1 GLY 3 -8.042 10.901 10.710 13 H GLU 4 HN GLU 4 -6.715 8.917 9.968 14 HA GLU 4 HA GLU 4 -7.915 7.934 7.502 15 1HB GLU 4 HB2 GLU 4 -5.069 8.539 8.233 16 2HB GLU 4 HB1 GLU 4 -5.476 7.525 6.856 17 1HG GLU 4 HG2 GLU 4 -6.513 10.318 7.224 18 2HG GLU 4 HG1 GLU 4 -5.045 9.929 6.332 19 H ALA 5 HN ALA 5 -8.401 5.986 7.360 20 HA ALA 5 HA ALA 5 -8.460 4.089 9.330 21 1HB ALA 5 HB1 ALA 5 -9.135 2.522 7.625 22 2HB ALA 5 HB2 ALA 5 -8.472 3.567 6.368 23 3HB ALA 5 HB3 ALA 5 -9.850 4.107 7.328 24 H GLN 6 HN GLN 6 -5.873 4.617 7.093 25 HA GLN 6 HA GLN 6 -3.986 3.100 8.558 26 1HB GLN 6 HB2 GLN 6 -3.432 1.508 6.643 27 2HB GLN 6 HB1 GLN 6 -4.917 1.142 7.509 28 1HG GLN 6 HG2 GLN 6 -6.162 2.313 5.747 29 2HG GLN 6 HG1 GLN 6 -4.662 2.495 4.843 30 1HE2 GLN 6 HE21 GLN 6 -3.698 -0.191 5.683 31 2HE2 GLN 6 HE22 GLN 6 -4.610 -1.267 4.685 32 H ARG 7 HN ARG 7 -4.329 5.627 7.834 33 HA ARG 7 HA ARG 7 -3.845 7.432 6.643 34 1HB ARG 7 HB2 ARG 7 -1.619 6.993 7.698 35 2HB ARG 7 HB1 ARG 7 -1.141 6.075 6.275 36 1HG ARG 7 HG2 ARG 7 -1.421 8.115 4.904 37 2HG ARG 7 HG1 ARG 7 -1.812 9.015 6.364 38 1HD ARG 7 HD2 ARG 7 0.793 7.574 5.861 39 2HD ARG 7 HD1 ARG 7 0.532 9.292 5.590 40 HE ARG 7 HE ARG 7 0.485 7.955 8.220 41 1HH1 ARG 7 HH11 ARG 7 0.760 10.951 6.322 42 2HH1 ARG 7 HH12 ARG 7 1.627 11.809 7.509 43 1HH2 ARG 7 HH21 ARG 7 1.659 9.171 9.895 44 2HH2 ARG 7 HH22 ARG 7 2.148 10.778 9.597 45 H ASP 8 HN ASP 8 -1.793 5.481 4.619 46 HA ASP 8 HA ASP 8 -3.466 4.999 2.484 47 1HB ASP 8 HB2 ASP 8 -3.617 7.420 2.169 48 2HB ASP 8 HB1 ASP 8 -1.871 7.569 2.265 49 H LEU 9 HN LEU 9 -2.297 3.820 0.972 50 HA LEU 9 HA LEU 9 0.037 2.674 1.999 51 1HB LEU 9 HB2 LEU 9 -1.589 2.351 -0.447 52 2HB LEU 9 HB1 LEU 9 0.039 1.716 -0.475 53 HG LEU 9 HG LEU 9 -1.723 0.055 0.102 54 1HD1 LEU 9 HD11 LEU 9 0.385 0.583 2.183 55 2HD1 LEU 9 HD12 LEU 9 0.576 -0.314 0.670 56 3HD1 LEU 9 HD13 LEU 9 -0.467 -0.945 1.937 57 1HD2 LEU 9 HD21 LEU 9 -1.884 1.630 2.669 58 2HD2 LEU 9 HD22 LEU 9 -2.638 0.059 2.384 59 3HD2 LEU 9 HD23 LEU 9 -3.170 1.476 1.471 60 H VAL 10 HN VAL 10 -0.423 5.042 -0.567 61 HA VAL 10 HA VAL 10 2.394 4.843 -1.115 62 HB VAL 10 HB VAL 10 0.287 6.604 -2.417 63 1HG1 VAL 10 HG11 VAL 10 2.473 7.732 -2.493 64 2HG1 VAL 10 HG12 VAL 10 1.988 7.169 -4.092 65 3HG1 VAL 10 HG13 VAL 10 3.199 6.275 -3.172 66 1HG2 VAL 10 HG21 VAL 10 1.799 4.193 -3.390 67 2HG2 VAL 10 HG22 VAL 10 0.632 5.125 -4.328 68 3HG2 VAL 10 HG23 VAL 10 0.106 4.229 -2.905 69 H LYS 11 HN LYS 11 0.205 6.970 0.587 70 HA LYS 11 HA LYS 11 2.115 9.070 0.920 71 1HB LYS 11 HB2 LYS 11 -0.086 8.452 2.908 72 2HB LYS 11 HB1 LYS 11 0.812 9.936 2.689 73 1HG LYS 11 HG2 LYS 11 -1.279 8.816 0.823 74 2HG LYS 11 HG1 LYS 11 -1.485 10.164 1.925 75 1HD LYS 11 HD2 LYS 11 -1.157 11.271 -0.054 76 2HD LYS 11 HD1 LYS 11 0.508 11.165 0.510 77 1HE LYS 11 HE2 LYS 11 0.319 10.571 -1.856 78 2HE LYS 11 HE1 LYS 11 0.873 9.204 -0.890 79 1HZ LYS 11 HZ1 LYS 11 -0.879 8.630 -2.564 80 2HZ LYS 11 HZ2 LYS 11 -1.976 9.570 -1.704 81 3HZ LYS 11 HZ3 LYS 11 -1.287 8.222 -0.992 82 H ALA 12 HN ALA 12 1.705 5.998 2.390 83 HA ALA 12 HA ALA 12 3.529 6.698 4.554 84 1HB ALA 12 HB1 ALA 12 1.490 5.500 5.156 85 2HB ALA 12 HB2 ALA 12 2.934 4.555 5.536 86 3HB ALA 12 HB3 ALA 12 1.968 4.163 4.111 87 H VAL 13 HN VAL 13 3.227 3.987 2.175 88 HA VAL 13 HA VAL 13 5.775 2.946 2.732 89 HB VAL 13 HB VAL 13 4.085 2.568 0.242 90 1HG1 VAL 13 HG11 VAL 13 6.439 2.101 -0.271 91 2HG1 VAL 13 HG12 VAL 13 5.500 0.610 -0.243 92 3HG1 VAL 13 HG13 VAL 13 6.542 1.026 1.123 93 1HG2 VAL 13 HG21 VAL 13 4.519 0.824 2.663 94 2HG2 VAL 13 HG22 VAL 13 3.558 0.391 1.248 95 3HG2 VAL 13 HG23 VAL 13 3.056 1.729 2.280 96 H ALA 14 HN ALA 14 4.746 5.032 0.042 97 HA ALA 14 HA ALA 14 7.324 5.122 -1.098 98 1HB ALA 14 HB1 ALA 14 5.297 5.743 -2.398 99 2HB ALA 14 HB2 ALA 14 6.502 7.029 -2.452 100 3HB ALA 14 HB3 ALA 14 5.095 7.167 -1.387 101 H HIS 15 HN HIS 15 5.802 6.868 1.453 102 HA HIS 15 HA HIS 15 7.644 9.016 1.648 103 1HB HIS 15 HB2 HIS 15 5.387 9.062 2.667 104 2HB HIS 15 HB1 HIS 15 5.888 7.822 3.805 105 HD1 HIS 15 HD1 HIS 15 6.321 11.462 3.018 106 HD2 HIS 15 HD2 HIS 15 7.377 8.748 5.975 107 HE1 HIS 15 HE1 HIS 15 7.201 12.837 4.913 108 HE2 HIS 15 HE2 HIS 15 7.483 11.188 6.777 109 H ILE 16 HN ILE 16 7.614 5.755 2.851 110 HA ILE 16 HA ILE 16 9.726 5.956 4.715 111 HB ILE 16 HB ILE 16 8.774 3.590 3.077 112 1HG1 ILE 16 HG12 ILE 16 7.052 4.387 4.573 113 2HG1 ILE 16 HG11 ILE 16 7.680 2.862 5.185 114 1HG2 ILE 16 HG21 ILE 16 9.943 2.134 4.673 115 2HG2 ILE 16 HG22 ILE 16 10.686 3.563 5.398 116 3HG2 ILE 16 HG23 ILE 16 11.026 3.142 3.715 117 1HD1 ILE 16 HD11 ILE 16 9.020 4.090 6.831 118 2HD1 ILE 16 HD12 ILE 16 7.296 4.435 6.993 119 3HD1 ILE 16 HD13 ILE 16 8.363 5.608 6.216 120 H LEU 17 HN LEU 17 9.639 5.127 1.253 121 HA LEU 17 HA LEU 17 12.402 4.820 0.927 122 1HB LEU 17 HB2 LEU 17 10.106 5.407 -0.926 123 2HB LEU 17 HB1 LEU 17 11.747 5.278 -1.502 124 HG LEU 17 HG LEU 17 10.398 3.303 -1.891 125 1HD1 LEU 17 HD11 LEU 17 12.701 2.856 0.011 126 2HD1 LEU 17 HD12 LEU 17 12.809 3.063 -1.737 127 3HD1 LEU 17 HD13 LEU 17 12.032 1.628 -1.064 128 1HD2 LEU 17 HD21 LEU 17 9.852 1.730 -0.075 129 2HD2 LEU 17 HD22 LEU 17 8.968 3.252 0.041 130 3HD2 LEU 17 HD23 LEU 17 10.349 2.952 1.096 131 H GLY 18 HN GLY 18 10.193 7.505 0.455 132 1HA GLY 18 HA2 GLY 18 11.092 9.740 1.157 133 2HA GLY 18 HA1 GLY 18 12.523 9.319 0.217 134 H ILE 19 HN ILE 19 9.241 8.607 -0.739 135 HA ILE 19 HA ILE 19 9.288 10.656 -2.795 136 HB ILE 19 HB ILE 19 8.186 8.758 -4.198 137 1HG1 ILE 19 HG12 ILE 19 10.117 7.174 -2.492 138 2HG1 ILE 19 HG11 ILE 19 8.369 7.002 -2.537 139 1HG2 ILE 19 HG21 ILE 19 11.179 9.100 -3.945 140 2HG2 ILE 19 HG22 ILE 19 10.082 10.068 -4.948 141 3HG2 ILE 19 HG23 ILE 19 10.360 8.382 -5.332 142 1HD1 ILE 19 HD11 ILE 19 9.482 5.222 -3.757 143 2HD1 ILE 19 HD12 ILE 19 10.261 6.412 -4.800 144 3HD1 ILE 19 HD13 ILE 19 8.508 6.217 -4.839 145 H ARG 20 HN ARG 20 7.196 10.777 -3.836 146 HA ARG 20 HA ARG 20 4.935 9.370 -2.811 147 1HB ARG 20 HB2 ARG 20 5.337 11.237 -1.091 148 2HB ARG 20 HB1 ARG 20 5.001 12.349 -2.411 149 1HG ARG 20 HG2 ARG 20 3.013 10.260 -1.593 150 2HG ARG 20 HG1 ARG 20 3.088 11.813 -0.756 151 1HD ARG 20 HD2 ARG 20 2.568 11.358 -3.701 152 2HD ARG 20 HD1 ARG 20 1.356 11.772 -2.491 153 HE ARG 20 HE ARG 20 3.319 13.716 -2.392 154 1HH1 ARG 20 HH11 ARG 20 0.842 12.605 -4.704 155 2HH1 ARG 20 HH12 ARG 20 0.724 14.175 -5.408 156 1HH2 ARG 20 HH21 ARG 20 3.134 15.757 -3.498 157 2HH2 ARG 20 HH22 ARG 20 1.985 15.914 -4.762 158 H ASP 21 HN ASP 21 6.228 12.136 -4.525 159 HA ASP 21 HA ASP 21 4.123 12.437 -6.393 160 1HB ASP 21 HB2 ASP 21 7.054 13.185 -6.659 161 2HB ASP 21 HB1 ASP 21 5.755 13.771 -7.683 162 H LEU 22 HN LEU 22 7.158 10.697 -6.389 163 HA LEU 22 HA LEU 22 7.907 8.905 -7.507 164 1HB LEU 22 HB2 LEU 22 5.010 8.742 -8.193 165 2HB LEU 22 HB1 LEU 22 6.125 7.811 -9.171 166 HG LEU 22 HG LEU 22 5.072 6.529 -7.382 167 1HD1 LEU 22 HD11 LEU 22 8.058 6.926 -7.106 168 2HD1 LEU 22 HD12 LEU 22 7.264 5.927 -8.301 169 3HD1 LEU 22 HD13 LEU 22 7.180 5.480 -6.589 170 1HD2 LEU 22 HD21 LEU 22 4.898 8.245 -5.639 171 2HD2 LEU 22 HD22 LEU 22 6.645 8.321 -5.513 172 3HD2 LEU 22 HD23 LEU 22 5.792 6.852 -5.037 173 H ALA 23 HN ALA 23 7.875 11.592 -8.360 174 HA ALA 23 HA ALA 23 7.550 11.749 -11.169 175 1HB ALA 23 HB1 ALA 23 7.223 13.678 -9.706 176 2HB ALA 23 HB2 ALA 23 8.445 13.996 -10.940 177 3HB ALA 23 HB3 ALA 23 8.936 13.645 -9.283 178 H GLY 24 HN GLY 24 8.756 10.118 -11.895 179 1HA GLY 24 HA2 GLY 24 10.542 9.558 -13.220 180 2HA GLY 24 HA1 GLY 24 11.550 10.802 -12.440 181 H ILE 25 HN ILE 25 9.608 8.504 -10.780 182 HA ILE 25 HA ILE 25 12.009 7.034 -9.940 183 HB ILE 25 HB ILE 25 9.282 7.147 -8.599 184 1HG1 ILE 25 HG12 ILE 25 10.433 9.355 -8.517 185 2HG1 ILE 25 HG11 ILE 25 10.206 8.630 -6.933 186 1HG2 ILE 25 HG21 ILE 25 11.927 6.064 -7.621 187 2HG2 ILE 25 HG22 ILE 25 10.532 5.108 -8.124 188 3HG2 ILE 25 HG23 ILE 25 10.432 6.120 -6.685 189 1HD1 ILE 25 HD11 ILE 25 12.526 7.936 -6.920 190 2HD1 ILE 25 HD12 ILE 25 12.362 9.679 -7.105 191 3HD1 ILE 25 HD13 ILE 25 12.776 8.673 -8.508 192 H ASN 26 HN ASN 26 11.997 4.876 -10.420 193 HA ASN 26 HA ASN 26 10.301 3.968 -12.473 194 1HB ASN 26 HB2 ASN 26 12.583 3.102 -12.174 195 2HB ASN 26 HB1 ASN 26 12.091 2.332 -10.667 196 1HD2 ASN 26 HD21 ASN 26 12.562 0.267 -11.406 197 2HD2 ASN 26 HD22 ASN 26 11.592 -0.527 -12.600 198 H LEU 27 HN LEU 27 8.386 3.194 -12.432 199 HA LEU 27 HA LEU 27 6.993 2.580 -9.917 200 1HB LEU 27 HB2 LEU 27 5.950 2.630 -12.745 201 2HB LEU 27 HB1 LEU 27 4.997 2.578 -11.280 202 HG LEU 27 HG LEU 27 6.706 4.895 -12.187 203 1HD1 LEU 27 HD11 LEU 27 4.581 6.035 -12.536 204 2HD1 LEU 27 HD12 LEU 27 3.714 4.556 -12.118 205 3HD1 LEU 27 HD13 LEU 27 4.728 4.611 -13.561 206 1HD2 LEU 27 HD21 LEU 27 6.595 4.734 -9.757 207 2HD2 LEU 27 HD22 LEU 27 4.835 4.648 -9.838 208 3HD2 LEU 27 HD23 LEU 27 5.670 6.113 -10.345 209 H ASP 28 HN ASP 28 8.837 0.766 -11.962 210 HA ASP 28 HA ASP 28 7.219 -1.550 -11.209 211 1HB ASP 28 HB2 ASP 28 8.225 -2.904 -12.993 212 2HB ASP 28 HB1 ASP 28 7.459 -1.479 -13.658 213 H SER 29 HN SER 29 9.322 0.020 -9.746 214 HA SER 29 HA SER 29 11.402 -1.864 -9.325 215 1HB SER 29 HB2 SER 29 10.519 0.501 -7.660 216 2HB SER 29 HB1 SER 29 12.004 -0.413 -7.442 217 HG SER 29 HG SER 29 12.749 0.263 -9.346 218 H SER 30 HN SER 30 10.629 -3.769 -8.702 219 HA SER 30 HA SER 30 8.620 -4.327 -6.866 220 1HB SER 30 HB2 SER 30 11.187 -5.858 -7.272 221 2HB SER 30 HB1 SER 30 9.591 -6.506 -6.888 222 HG SER 30 HG SER 30 8.893 -5.980 -8.947 223 H LEU 31 HN LEU 31 8.782 -4.514 -4.562 224 HA LEU 31 HA LEU 31 10.658 -2.862 -3.297 225 1HB LEU 31 HB2 LEU 31 9.008 -5.054 -1.998 226 2HB LEU 31 HB1 LEU 31 9.806 -3.736 -1.168 227 HG LEU 31 HG LEU 31 7.458 -3.508 -3.042 228 1HD1 LEU 31 HD11 LEU 31 7.706 -3.038 -0.086 229 2HD1 LEU 31 HD12 LEU 31 6.873 -4.382 -0.873 230 3HD1 LEU 31 HD13 LEU 31 6.271 -2.736 -1.063 231 1HD2 LEU 31 HD21 LEU 31 8.920 -1.598 -3.290 232 2HD2 LEU 31 HD22 LEU 31 8.927 -1.365 -1.539 233 3HD2 LEU 31 HD23 LEU 31 7.427 -1.151 -2.458 234 H ALA 32 HN ALA 32 10.902 -6.115 -4.276 235 HA ALA 32 HA ALA 32 13.074 -6.873 -2.571 236 1HB ALA 32 HB1 ALA 32 11.762 -8.583 -3.540 237 2HB ALA 32 HB2 ALA 32 13.390 -8.729 -4.205 238 3HB ALA 32 HB3 ALA 32 12.093 -8.017 -5.174 239 H ASP 33 HN ASP 33 12.780 -4.986 -5.385 240 HA ASP 33 HA ASP 33 15.472 -5.392 -6.334 241 1HB ASP 33 HB2 ASP 33 13.565 -4.706 -7.872 242 2HB ASP 33 HB1 ASP 33 13.515 -3.182 -7.019 243 H LEU 34 HN LEU 34 13.712 -3.504 -4.195 244 HA LEU 34 HA LEU 34 15.666 -1.426 -3.757 245 1HB LEU 34 HB2 LEU 34 13.317 -2.150 -2.024 246 2HB LEU 34 HB1 LEU 34 14.095 -0.588 -2.191 247 HG LEU 34 HG LEU 34 12.434 -1.943 -4.311 248 1HD1 LEU 34 HD11 LEU 34 11.765 0.357 -2.510 249 2HD1 LEU 34 HD12 LEU 34 11.093 -1.287 -2.486 250 3HD1 LEU 34 HD13 LEU 34 10.801 -0.237 -3.876 251 1HD2 LEU 34 HD21 LEU 34 12.492 0.160 -5.451 252 2HD2 LEU 34 HD22 LEU 34 14.118 -0.518 -5.280 253 3HD2 LEU 34 HD23 LEU 34 13.596 0.828 -4.240 254 H GLY 35 HN GLY 35 14.305 -4.215 -2.013 255 1HA GLY 35 HA2 GLY 35 15.657 -5.779 -0.838 256 2HA GLY 35 HA1 GLY 35 16.860 -4.514 -0.612 257 H LEU 36 HN LEU 36 13.863 -5.829 0.486 258 HA LEU 36 HA LEU 36 13.864 -3.865 2.628 259 1HB LEU 36 HB2 LEU 36 11.552 -4.432 3.065 260 2HB LEU 36 HB1 LEU 36 11.755 -4.047 1.379 261 HG LEU 36 HG LEU 36 11.881 -6.720 1.208 262 1HD1 LEU 36 HD11 LEU 36 11.667 -7.102 3.581 263 2HD1 LEU 36 HD12 LEU 36 10.240 -7.714 2.732 264 3HD1 LEU 36 HD13 LEU 36 10.169 -6.177 3.603 265 1HD2 LEU 36 HD21 LEU 36 9.354 -5.098 1.428 266 2HD2 LEU 36 HD22 LEU 36 9.494 -6.689 0.677 267 3HD2 LEU 36 HD23 LEU 36 10.348 -5.311 -0.015 268 H ASP 37 HN ASP 37 14.828 -4.359 4.371 269 HA ASP 37 HA ASP 37 14.388 -6.879 5.730 270 1HB ASP 37 HB2 ASP 37 16.694 -7.576 5.848 271 2HB ASP 37 HB1 ASP 37 16.289 -7.377 4.150 272 H SER 38 HN SER 38 14.059 -3.961 5.990 273 HA SER 38 HA SER 38 15.573 -3.557 8.441 274 1HB SER 38 HB2 SER 38 15.732 -1.128 7.647 275 2HB SER 38 HB1 SER 38 16.774 -2.313 6.848 276 HG SER 38 HG SER 38 15.818 -1.852 5.056 277 H LEU 39 HN LEU 39 13.285 -1.568 6.642 278 HA LEU 39 HA LEU 39 11.544 -1.485 9.030 279 1HB LEU 39 HB2 LEU 39 12.830 0.556 8.554 280 2HB LEU 39 HB1 LEU 39 12.058 0.662 6.990 281 HG LEU 39 HG LEU 39 9.856 0.793 8.250 282 1HD1 LEU 39 HD11 LEU 39 9.973 1.643 10.535 283 2HD1 LEU 39 HD12 LEU 39 11.719 1.387 10.532 284 3HD1 LEU 39 HD13 LEU 39 10.624 0.010 10.397 285 1HD2 LEU 39 HD21 LEU 39 10.117 3.201 8.635 286 2HD2 LEU 39 HD22 LEU 39 10.838 2.666 7.114 287 3HD2 LEU 39 HD23 LEU 39 11.872 3.017 8.502 288 H MET 40 HN MET 40 11.636 -1.026 5.514 289 HA MET 40 HA MET 40 9.027 -0.784 4.821 290 1HB MET 40 HB2 MET 40 11.152 -2.304 3.339 291 2HB MET 40 HB1 MET 40 9.545 -2.008 2.693 292 1HG MET 40 HG2 MET 40 9.891 0.368 2.888 293 2HG MET 40 HG1 MET 40 11.512 0.105 3.523 294 1HE MET 40 HE1 MET 40 12.523 -2.336 1.658 295 2HE MET 40 HE2 MET 40 13.522 -0.929 2.019 296 3HE MET 40 HE3 MET 40 13.309 -1.451 0.350 297 H GLY 41 HN GLY 41 10.460 -4.003 5.380 298 1HA GLY 41 HA2 GLY 41 8.126 -5.392 4.519 299 2HA GLY 41 HA1 GLY 41 9.421 -6.059 5.503 300 H VAL 42 HN VAL 42 9.001 -3.888 7.456 301 HA VAL 42 HA VAL 42 6.982 -5.239 9.054 302 HB VAL 42 HB VAL 42 8.712 -2.870 9.756 303 1HG1 VAL 42 HG11 VAL 42 7.229 -4.795 11.520 304 2HG1 VAL 42 HG12 VAL 42 6.860 -3.095 11.201 305 3HG1 VAL 42 HG13 VAL 42 8.330 -3.523 12.072 306 1HG2 VAL 42 HG21 VAL 42 9.355 -5.797 10.150 307 2HG2 VAL 42 HG22 VAL 42 10.233 -4.459 10.893 308 3HG2 VAL 42 HG23 VAL 42 10.224 -4.629 9.144 309 H GLU 43 HN GLU 43 7.694 -2.068 7.722 310 HA GLU 43 HA GLU 43 5.462 -0.819 8.873 311 1HB GLU 43 HB2 GLU 43 7.576 0.249 7.924 312 2HB GLU 43 HB1 GLU 43 6.795 0.105 6.355 313 1HG GLU 43 HG2 GLU 43 6.537 2.289 7.376 314 2HG GLU 43 HG1 GLU 43 4.967 1.511 7.079 315 H VAL 44 HN VAL 44 5.905 -2.530 5.834 316 HA VAL 44 HA VAL 44 3.448 -1.858 4.598 317 HB VAL 44 HB VAL 44 4.980 -4.496 4.478 318 1HG1 VAL 44 HG11 VAL 44 3.749 -4.958 2.436 319 2HG1 VAL 44 HG12 VAL 44 2.787 -3.492 2.677 320 3HG1 VAL 44 HG13 VAL 44 2.667 -4.835 3.827 321 1HG2 VAL 44 HG21 VAL 44 6.241 -2.609 3.641 322 2HG2 VAL 44 HG22 VAL 44 4.914 -2.189 2.543 323 3HG2 VAL 44 HG23 VAL 44 5.788 -3.718 2.352 324 H ARG 45 HN ARG 45 4.346 -4.307 6.891 325 HA ARG 45 HA ARG 45 1.796 -5.478 7.127 326 1HB ARG 45 HB2 ARG 45 4.247 -5.565 8.853 327 2HB ARG 45 HB1 ARG 45 2.815 -6.487 9.249 328 1HG ARG 45 HG2 ARG 45 3.010 -7.635 7.055 329 2HG ARG 45 HG1 ARG 45 4.505 -6.739 6.762 330 1HD ARG 45 HD2 ARG 45 5.507 -7.722 8.720 331 2HD ARG 45 HD1 ARG 45 4.004 -8.553 9.107 332 HE ARG 45 HE ARG 45 5.640 -9.079 6.736 333 1HH1 ARG 45 HH11 ARG 45 3.377 -10.189 9.252 334 2HH1 ARG 45 HH12 ARG 45 3.648 -11.851 9.009 335 1HH2 ARG 45 HH21 ARG 45 6.062 -11.530 6.431 336 2HH2 ARG 45 HH22 ARG 45 5.171 -12.606 7.372 337 H GLN 46 HN GLN 46 3.284 -2.720 8.665 338 HA GLN 46 HA GLN 46 1.221 -2.686 10.653 339 1HB GLN 46 HB2 GLN 46 3.345 -0.648 10.031 340 2HB GLN 46 HB1 GLN 46 2.208 -0.523 11.372 341 1HG GLN 46 HG2 GLN 46 3.033 -2.653 12.250 342 2HG GLN 46 HG1 GLN 46 4.207 -2.722 10.943 343 1HE2 GLN 46 HE21 GLN 46 4.713 0.197 11.071 344 2HE2 GLN 46 HE22 GLN 46 5.662 0.367 12.499 345 H ILE 47 HN ILE 47 1.428 -1.633 7.510 346 HA ILE 47 HA ILE 47 -0.750 0.253 7.847 347 HB ILE 47 HB ILE 47 0.469 -0.801 5.266 348 1HG1 ILE 47 HG12 ILE 47 0.963 1.826 6.666 349 2HG1 ILE 47 HG11 ILE 47 2.065 0.453 6.722 350 1HG2 ILE 47 HG21 ILE 47 -1.799 0.081 4.990 351 2HG2 ILE 47 HG22 ILE 47 -0.612 1.147 4.241 352 3HG2 ILE 47 HG23 ILE 47 -1.321 1.575 5.796 353 1HD1 ILE 47 HD11 ILE 47 2.790 2.111 5.110 354 2HD1 ILE 47 HD12 ILE 47 1.252 1.977 4.260 355 3HD1 ILE 47 HD13 ILE 47 2.357 0.606 4.301 356 H LEU 48 HN LEU 48 -0.166 -2.820 6.184 357 HA LEU 48 HA LEU 48 -2.965 -3.184 5.681 358 1HB LEU 48 HB2 LEU 48 -0.564 -4.887 5.104 359 2HB LEU 48 HB1 LEU 48 -2.175 -5.466 4.790 360 HG LEU 48 HG LEU 48 -1.355 -4.747 2.742 361 1HD1 LEU 48 HD11 LEU 48 -2.733 -2.854 2.083 362 2HD1 LEU 48 HD12 LEU 48 -3.049 -2.513 3.786 363 3HD1 LEU 48 HD13 LEU 48 -3.604 -4.028 3.071 364 1HD2 LEU 48 HD21 LEU 48 0.587 -3.496 3.487 365 2HD2 LEU 48 HD22 LEU 48 -0.455 -2.178 4.028 366 3HD2 LEU 48 HD23 LEU 48 -0.341 -2.562 2.311 367 H GLU 49 HN GLU 49 -0.620 -5.182 7.455 368 HA GLU 49 HA GLU 49 -2.509 -6.936 8.563 369 1HB GLU 49 HB2 GLU 49 -0.219 -7.641 8.374 370 2HB GLU 49 HB1 GLU 49 0.345 -6.284 9.329 371 1HG GLU 49 HG2 GLU 49 -0.846 -7.290 11.290 372 2HG GLU 49 HG1 GLU 49 -1.172 -8.698 10.283 373 H ARG 50 HN ARG 50 -0.940 -4.100 9.934 374 HA ARG 50 HA ARG 50 -1.995 -4.453 12.518 375 1HB ARG 50 HB2 ARG 50 -0.014 -3.028 11.850 376 2HB ARG 50 HB1 ARG 50 -1.173 -1.788 11.400 377 1HG ARG 50 HG2 ARG 50 -0.271 -1.381 13.629 378 2HG ARG 50 HG1 ARG 50 -2.000 -1.738 13.722 379 1HD ARG 50 HD2 ARG 50 -0.656 -2.904 15.461 380 2HD ARG 50 HD1 ARG 50 -1.541 -4.016 14.418 381 HE ARG 50 HE ARG 50 1.328 -3.419 14.287 382 1HH1 ARG 50 HH11 ARG 50 -1.374 -5.690 13.794 383 2HH1 ARG 50 HH12 ARG 50 -0.443 -6.899 13.066 384 1HH2 ARG 50 HH21 ARG 50 2.621 -5.114 13.216 385 2HH2 ARG 50 HH22 ARG 50 1.835 -6.513 12.599 386 H GLU 51 HN GLU 51 -3.101 -2.327 9.905 387 HA GLU 51 HA GLU 51 -5.268 -1.442 11.587 388 1HB GLU 51 HB2 GLU 51 -4.459 -0.650 8.806 389 2HB GLU 51 HB1 GLU 51 -5.864 0.001 9.639 390 1HG GLU 51 HG2 GLU 51 -3.006 0.229 10.563 391 2HG GLU 51 HG1 GLU 51 -3.948 1.497 9.776 392 H HIS 52 HN HIS 52 -4.943 -3.450 8.668 393 HA HIS 52 HA HIS 52 -7.850 -3.856 8.850 394 1HB HIS 52 HB2 HIS 52 -6.161 -3.448 6.404 395 2HB HIS 52 HB1 HIS 52 -7.673 -4.336 6.295 396 HD1 HIS 52 HD1 HIS 52 -9.251 -2.779 5.214 397 HD2 HIS 52 HD2 HIS 52 -7.014 -0.884 8.140 398 HE1 HIS 52 HE1 HIS 52 -10.199 -0.462 5.392 399 HE2 HIS 52 HE2 HIS 52 -9.158 0.334 7.539 400 H ASP 53 HN ASP 53 -5.190 -5.443 9.573 401 HA ASP 53 HA ASP 53 -4.641 -7.569 9.959 402 1HB ASP 53 HB2 ASP 53 -6.967 -7.733 10.847 403 2HB ASP 53 HB1 ASP 53 -7.524 -8.234 9.258 404 H LEU 54 HN LEU 54 -4.579 -6.447 7.166 405 HA LEU 54 HA LEU 54 -4.570 -8.907 5.636 406 1HB LEU 54 HB2 LEU 54 -4.047 -6.064 4.875 407 2HB LEU 54 HB1 LEU 54 -3.412 -7.333 3.847 408 HG LEU 54 HG LEU 54 -5.779 -8.147 3.604 409 1HD1 LEU 54 HD11 LEU 54 -6.419 -5.509 4.902 410 2HD1 LEU 54 HD12 LEU 54 -6.755 -7.109 5.562 411 3HD1 LEU 54 HD13 LEU 54 -7.576 -6.570 4.095 412 1HD2 LEU 54 HD21 LEU 54 -6.377 -6.425 1.978 413 2HD2 LEU 54 HD22 LEU 54 -4.671 -6.866 1.878 414 3HD2 LEU 54 HD23 LEU 54 -5.149 -5.360 2.662 415 H VAL 55 HN VAL 55 -3.139 -10.112 6.700 416 HA VAL 55 HA VAL 55 -0.444 -9.240 7.109 417 HB VAL 55 HB VAL 55 -1.469 -12.087 7.132 418 1HG1 VAL 55 HG11 VAL 55 0.949 -11.906 7.031 419 2HG1 VAL 55 HG12 VAL 55 0.445 -12.506 8.608 420 3HG1 VAL 55 HG13 VAL 55 0.945 -10.823 8.424 421 1HG2 VAL 55 HG21 VAL 55 -1.720 -11.837 9.564 422 2HG2 VAL 55 HG22 VAL 55 -2.795 -10.756 8.676 423 3HG2 VAL 55 HG23 VAL 55 -1.326 -10.125 9.418 424 H LEU 56 HN LEU 56 0.316 -8.605 5.178 425 HA LEU 56 HA LEU 56 0.464 -10.572 3.046 426 1HB LEU 56 HB2 LEU 56 1.437 -7.713 3.105 427 2HB LEU 56 HB1 LEU 56 1.387 -8.753 1.702 428 HG LEU 56 HG LEU 56 -0.997 -7.643 3.181 429 1HD1 LEU 56 HD11 LEU 56 -1.396 -6.415 1.103 430 2HD1 LEU 56 HD12 LEU 56 0.106 -7.065 0.442 431 3HD1 LEU 56 HD13 LEU 56 0.149 -5.991 1.840 432 1HD2 LEU 56 HD21 LEU 56 -1.469 -9.893 2.322 433 2HD2 LEU 56 HD22 LEU 56 -0.922 -9.399 0.719 434 3HD2 LEU 56 HD23 LEU 56 -2.360 -8.663 1.429 435 HA PRO 57 HA PRO 57 4.450 -11.514 4.878 436 1HB PRO 57 HB2 PRO 57 4.429 -13.665 2.873 437 2HB PRO 57 HB1 PRO 57 4.493 -13.790 4.636 438 1HG PRO 57 HG2 PRO 57 2.294 -14.505 3.288 439 2HG PRO 57 HG1 PRO 57 2.182 -13.671 4.856 440 1HD PRO 57 HD2 PRO 57 1.950 -12.525 2.096 441 2HD PRO 57 HD1 PRO 57 0.883 -12.291 3.505 442 H ILE 58 HN ILE 58 6.634 -11.757 3.957 443 HA ILE 58 HA ILE 58 7.073 -9.632 2.209 444 HB ILE 58 HB ILE 58 8.913 -11.655 3.440 445 1HG1 ILE 58 HG12 ILE 58 9.941 -9.547 4.396 446 2HG1 ILE 58 HG11 ILE 58 8.668 -8.679 3.544 447 1HG2 ILE 58 HG21 ILE 58 9.824 -9.596 1.440 448 2HG2 ILE 58 HG22 ILE 58 9.794 -11.327 1.193 449 3HG2 ILE 58 HG23 ILE 58 10.879 -10.636 2.410 450 1HD1 ILE 58 HD11 ILE 58 8.219 -10.676 5.748 451 2HD1 ILE 58 HD12 ILE 58 6.984 -9.717 4.930 452 3HD1 ILE 58 HD13 ILE 58 8.196 -8.922 5.935 453 H ARG 59 HN ARG 59 7.245 -13.063 1.551 454 HA ARG 59 HA ARG 59 8.056 -12.963 -1.085 455 1HB ARG 59 HB2 ARG 59 6.886 -15.099 -1.515 456 2HB ARG 59 HB1 ARG 59 7.775 -15.133 -0.004 457 1HG ARG 59 HG2 ARG 59 4.875 -14.443 0.026 458 2HG ARG 59 HG1 ARG 59 5.356 -16.122 -0.188 459 1HD ARG 59 HD2 ARG 59 6.435 -14.449 2.064 460 2HD ARG 59 HD1 ARG 59 4.879 -15.254 2.196 461 HE ARG 59 HE ARG 59 6.565 -17.240 1.399 462 1HH1 ARG 59 HH11 ARG 59 6.959 -14.897 3.986 463 2HH1 ARG 59 HH12 ARG 59 7.505 -15.984 5.152 464 1HH2 ARG 59 HH21 ARG 59 7.312 -18.831 2.976 465 2HH2 ARG 59 HH22 ARG 59 7.716 -18.305 4.541 466 H GLU 60 HN GLU 60 5.039 -11.823 0.137 467 HA GLU 60 HA GLU 60 3.833 -11.631 -2.545 468 1HB GLU 60 HB2 GLU 60 2.730 -10.730 0.126 469 2HB GLU 60 HB1 GLU 60 1.846 -10.894 -1.382 470 1HG GLU 60 HG2 GLU 60 3.031 -13.129 0.234 471 2HG GLU 60 HG1 GLU 60 1.327 -12.692 0.150 472 H VAL 61 HN VAL 61 5.042 -9.755 0.121 473 HA VAL 61 HA VAL 61 4.388 -7.170 -0.769 474 HB VAL 61 HB VAL 61 6.526 -8.113 1.170 475 1HG1 VAL 61 HG11 VAL 61 5.430 -5.334 0.783 476 2HG1 VAL 61 HG12 VAL 61 7.066 -5.868 0.395 477 3HG1 VAL 61 HG13 VAL 61 6.516 -5.848 2.073 478 1HG2 VAL 61 HG21 VAL 61 4.922 -7.446 2.883 479 2HG2 VAL 61 HG22 VAL 61 4.286 -8.711 1.831 480 3HG2 VAL 61 HG23 VAL 61 3.753 -7.043 1.625 481 H ARG 62 HN ARG 62 7.167 -9.193 -1.357 482 HA ARG 62 HA ARG 62 8.880 -7.200 -2.272 483 1HB ARG 62 HB2 ARG 62 8.866 -10.133 -2.604 484 2HB ARG 62 HB1 ARG 62 10.061 -9.194 -3.462 485 1HG ARG 62 HG2 ARG 62 10.609 -8.176 -1.173 486 2HG ARG 62 HG1 ARG 62 9.609 -9.454 -0.494 487 1HD ARG 62 HD2 ARG 62 12.121 -9.852 -2.148 488 2HD ARG 62 HD1 ARG 62 11.964 -10.073 -0.415 489 HE ARG 62 HE ARG 62 10.204 -11.729 -1.996 490 1HH1 ARG 62 HH11 ARG 62 13.447 -11.469 -0.540 491 2HH1 ARG 62 HH12 ARG 62 13.718 -13.151 -0.537 492 1HH2 ARG 62 HH21 ARG 62 10.664 -14.100 -2.007 493 2HH2 ARG 62 HH22 ARG 62 12.130 -14.633 -1.346 494 H GLN 63 HN GLN 63 6.205 -8.459 -3.971 495 HA GLN 63 HA GLN 63 7.353 -7.819 -6.609 496 1HB GLN 63 HB2 GLN 63 4.598 -8.803 -5.887 497 2HB GLN 63 HB1 GLN 63 5.107 -8.446 -7.513 498 1HG GLN 63 HG2 GLN 63 5.079 -10.787 -7.199 499 2HG GLN 63 HG1 GLN 63 6.761 -10.276 -7.308 500 1HE2 GLN 63 HE21 GLN 63 4.237 -10.914 -5.065 501 2HE2 GLN 63 HE22 GLN 63 5.267 -11.637 -3.843 502 H LEU 64 HN LEU 64 5.932 -6.237 -4.130 503 HA LEU 64 HA LEU 64 4.057 -4.798 -5.571 504 1HB LEU 64 HB2 LEU 64 5.337 -4.114 -2.923 505 2HB LEU 64 HB1 LEU 64 3.952 -3.273 -3.586 506 HG LEU 64 HG LEU 64 4.032 -6.187 -2.825 507 1HD1 LEU 64 HD11 LEU 64 2.525 -5.542 -1.008 508 2HD1 LEU 64 HD12 LEU 64 2.717 -3.849 -1.464 509 3HD1 LEU 64 HD13 LEU 64 4.101 -4.768 -0.874 510 1HD2 LEU 64 HD21 LEU 64 2.495 -5.778 -4.668 511 2HD2 LEU 64 HD22 LEU 64 1.727 -4.479 -3.756 512 3HD2 LEU 64 HD23 LEU 64 1.610 -6.144 -3.188 513 H THR 65 HN THR 65 4.450 -3.042 -6.939 514 HA THR 65 HA THR 65 7.177 -2.171 -7.366 515 HB THR 65 HB THR 65 6.043 -1.314 -9.458 516 HG1 THR 65 HG1 THR 65 3.905 -1.636 -9.630 517 1HG2 THR 65 HG21 THR 65 5.820 -3.564 -10.395 518 2HG2 THR 65 HG22 THR 65 5.695 -4.209 -8.753 519 3HG2 THR 65 HG23 THR 65 7.215 -3.492 -9.299 520 H LEU 66 HN LEU 66 6.082 -1.073 -5.123 521 HA LEU 66 HA LEU 66 5.651 0.833 -3.947 522 1HB LEU 66 HB2 LEU 66 7.712 1.520 -5.303 523 2HB LEU 66 HB1 LEU 66 6.618 2.341 -6.390 524 HG LEU 66 HG LEU 66 7.743 3.885 -4.825 525 1HD1 LEU 66 HD11 LEU 66 5.785 5.087 -4.017 526 2HD1 LEU 66 HD12 LEU 66 4.814 3.637 -4.349 527 3HD1 LEU 66 HD13 LEU 66 5.580 4.502 -5.681 528 1HD2 LEU 66 HD21 LEU 66 7.168 3.867 -2.452 529 2HD2 LEU 66 HD22 LEU 66 8.002 2.385 -2.925 530 3HD2 LEU 66 HD23 LEU 66 6.250 2.385 -2.686 531 H ARG 67 HN ARG 67 4.618 1.581 -7.261 532 HA ARG 67 HA ARG 67 2.319 2.891 -6.158 533 1HB ARG 67 HB2 ARG 67 3.345 2.606 -8.942 534 2HB ARG 67 HB1 ARG 67 1.663 3.065 -8.696 535 1HG ARG 67 HG2 ARG 67 4.039 4.519 -7.539 536 2HG ARG 67 HG1 ARG 67 3.129 5.020 -8.971 537 1HD ARG 67 HD2 ARG 67 1.084 5.172 -7.593 538 2HD ARG 67 HD1 ARG 67 1.998 4.653 -6.208 539 HE ARG 67 HE ARG 67 3.343 6.723 -6.473 540 1HH1 ARG 67 HH11 ARG 67 0.108 6.775 -7.958 541 2HH1 ARG 67 HH12 ARG 67 -0.270 8.329 -7.440 542 1HH2 ARG 67 HH21 ARG 67 2.794 8.989 -5.786 543 2HH2 ARG 67 HH22 ARG 67 1.277 9.587 -6.155 544 H LYS 68 HN LYS 68 3.019 -0.232 -6.876 545 HA LYS 68 HA LYS 68 0.317 -1.067 -7.387 546 1HB LYS 68 HB2 LYS 68 2.312 -2.430 -7.991 547 2HB LYS 68 HB1 LYS 68 2.613 -2.680 -6.279 548 1HG LYS 68 HG2 LYS 68 0.484 -3.868 -6.067 549 2HG LYS 68 HG1 LYS 68 0.168 -3.606 -7.784 550 1HD LYS 68 HD2 LYS 68 2.539 -5.085 -6.680 551 2HD LYS 68 HD1 LYS 68 1.064 -5.873 -7.253 552 1HE LYS 68 HE2 LYS 68 2.913 -4.140 -8.911 553 2HE LYS 68 HE1 LYS 68 2.870 -5.897 -8.934 554 1HZ LYS 68 HZ1 LYS 68 1.655 -4.986 -10.780 555 2HZ LYS 68 HZ2 LYS 68 0.653 -4.089 -9.792 556 3HZ LYS 68 HZ3 LYS 68 0.576 -5.786 -9.761 557 H LEU 69 HN LEU 69 2.085 -0.056 -4.691 558 HA LEU 69 HA LEU 69 0.769 -1.421 -2.597 559 1HB LEU 69 HB2 LEU 69 2.182 1.221 -2.675 560 2HB LEU 69 HB1 LEU 69 1.231 0.812 -1.270 561 HG LEU 69 HG LEU 69 3.578 0.362 -0.885 562 1HD1 LEU 69 HD11 LEU 69 3.444 -1.961 -0.169 563 2HD1 LEU 69 HD12 LEU 69 1.963 -2.153 -1.106 564 3HD1 LEU 69 HD13 LEU 69 2.007 -1.031 0.254 565 1HD2 LEU 69 HD21 LEU 69 4.784 -1.392 -2.096 566 2HD2 LEU 69 HD22 LEU 69 4.313 -0.075 -3.172 567 3HD2 LEU 69 HD23 LEU 69 3.406 -1.588 -3.179 568 H GLN 70 HN GLN 70 -0.107 1.598 -4.210 569 HA GLN 70 HA GLN 70 -2.428 1.970 -2.620 570 1HB GLN 70 HB2 GLN 70 -3.139 3.596 -4.470 571 2HB GLN 70 HB1 GLN 70 -1.670 3.967 -3.581 572 1HG GLN 70 HG2 GLN 70 -0.309 3.368 -5.341 573 2HG GLN 70 HG1 GLN 70 -1.613 2.557 -6.242 574 1HE2 GLN 70 HE21 GLN 70 -1.362 3.802 -8.089 575 2HE2 GLN 70 HE22 GLN 70 -1.675 5.479 -8.149 576 H GLU 71 HN GLU 71 -1.813 -0.098 -5.218 577 HA GLU 71 HA GLU 71 -4.570 -0.411 -6.015 578 1HB GLU 71 HB2 GLU 71 -2.165 -2.167 -6.559 579 2HB GLU 71 HB1 GLU 71 -3.722 -2.276 -7.367 580 1HG GLU 71 HG2 GLU 71 -1.870 0.093 -7.489 581 2HG GLU 71 HG1 GLU 71 -1.992 -1.165 -8.714 582 H MET 72 HN MET 72 -2.273 -1.867 -3.850 583 HA MET 72 HA MET 72 -4.132 -4.008 -3.063 584 1HB MET 72 HB2 MET 72 -1.261 -3.531 -2.242 585 2HB MET 72 HB1 MET 72 -2.225 -4.951 -1.876 586 1HG MET 72 HG2 MET 72 -1.297 -4.052 -4.575 587 2HG MET 72 HG1 MET 72 -0.644 -5.388 -3.633 588 1HE MET 72 HE1 MET 72 -0.923 -7.045 -5.697 589 2HE MET 72 HE2 MET 72 -1.553 -5.713 -6.666 590 3HE MET 72 HE3 MET 72 -2.425 -7.246 -6.599 591 H SER 73 HN SER 73 -4.291 -1.076 -2.384 592 HA SER 73 HA SER 73 -3.444 -0.713 0.251 593 1HB SER 73 HB2 SER 73 -4.846 1.369 0.144 594 2HB SER 73 HB1 SER 73 -3.712 1.176 -1.180 595 HG SER 73 HG SER 73 -5.307 1.000 -2.564 596 H SER 74 HN SER 74 -6.551 -1.559 -1.160 597 HA SER 74 HA SER 74 -8.360 -2.625 -0.442 598 1HB SER 74 HB2 SER 74 -6.719 -4.144 0.756 599 2HB SER 74 HB1 SER 74 -6.954 -3.167 2.200 600 HG SER 74 HG SER 74 -9.246 -4.091 0.950 601 H LYS 75 HN LYS 75 -7.296 0.152 0.730 602 HA LYS 75 HA LYS 75 -9.567 0.743 2.459 603 1HB LYS 75 HB2 LYS 75 -7.284 1.644 2.952 604 2HB LYS 75 HB1 LYS 75 -7.327 2.520 1.437 605 1HG LYS 75 HG2 LYS 75 -9.152 3.897 2.263 606 2HG LYS 75 HG1 LYS 75 -9.189 2.974 3.767 607 1HD LYS 75 HD2 LYS 75 -7.968 5.039 4.119 608 2HD LYS 75 HD1 LYS 75 -6.861 3.673 4.220 609 1HE LYS 75 HE2 LYS 75 -5.804 5.430 2.961 610 2HE LYS 75 HE1 LYS 75 -6.192 4.111 1.860 611 1HZ LYS 75 HZ1 LYS 75 -8.135 5.377 1.089 612 2HZ LYS 75 HZ2 LYS 75 -6.748 6.310 0.937 613 3HZ LYS 75 HZ3 LYS 75 -7.799 6.573 2.222 614 H ALA 76 HN ALA 76 -8.624 0.734 -0.761 615 HA ALA 76 HA ALA 76 -11.080 1.593 -1.798 616 1HB ALA 76 HB1 ALA 76 -10.138 3.823 -1.402 617 2HB ALA 76 HB2 ALA 76 -10.181 3.468 -3.128 618 3HB ALA 76 HB3 ALA 76 -8.658 3.358 -2.244 619 H GLY 77 HN GLY 77 -10.657 1.677 -4.332 620 1HA GLY 77 HA2 GLY 77 -8.356 0.112 -5.113 621 2HA GLY 77 HA1 GLY 77 -9.928 -0.664 -5.321 622 H SER 78 HN SER 78 -10.608 -0.505 -7.299 623 HA SER 78 HA SER 78 -9.846 1.745 -8.961 624 1HB SER 78 HB2 SER 78 -11.699 -0.574 -9.567 625 2HB SER 78 HB1 SER 78 -10.925 0.501 -10.731 626 HG SER 78 HG SER 78 -9.004 -0.570 -9.222 627 H ASP 79 HN ASP 79 -12.604 0.222 -7.422 628 HA ASP 79 HA ASP 79 -14.626 0.863 -6.738 629 1HB ASP 79 HB2 ASP 79 -13.409 3.625 -6.903 630 2HB ASP 79 HB1 ASP 79 -15.035 3.340 -6.301 631 H THR 80 HN THR 80 -13.858 0.858 -9.682 632 HA THR 80 HA THR 80 -15.527 2.602 -11.085 633 HB THR 80 HB THR 80 -15.106 0.732 -12.858 634 HG1 THR 80 HG1 THR 80 -13.405 -0.688 -12.223 635 1HG2 THR 80 HG21 THR 80 -13.903 2.895 -12.770 636 2HG2 THR 80 HG22 THR 80 -12.813 1.577 -13.202 637 3HG2 THR 80 HG23 THR 80 -12.804 2.229 -11.562 638 H GLU 81 HN GLU 81 -15.804 -0.867 -10.465 639 HA GLU 81 HA GLU 81 -18.673 -0.657 -10.192 640 1HB GLU 81 HB2 GLU 81 -19.044 -2.521 -11.782 641 2HB GLU 81 HB1 GLU 81 -18.390 -1.100 -12.581 642 1HG GLU 81 HG2 GLU 81 -16.154 -2.150 -12.533 643 2HG GLU 81 HG1 GLU 81 -16.881 -3.593 -11.823 644 H LEU 82 HN LEU 82 -19.336 -3.227 -9.817 645 HA LEU 82 HA LEU 82 -17.652 -3.929 -7.553 646 1HB LEU 82 HB2 LEU 82 -20.428 -4.825 -8.338 647 2HB LEU 82 HB1 LEU 82 -19.531 -5.558 -7.030 648 HG LEU 82 HG LEU 82 -21.086 -4.072 -6.071 649 1HD1 LEU 82 HD11 LEU 82 -19.691 -2.482 -4.872 650 2HD1 LEU 82 HD12 LEU 82 -18.380 -2.785 -6.015 651 3HD1 LEU 82 HD13 LEU 82 -18.966 -4.086 -4.978 652 1HD2 LEU 82 HD21 LEU 82 -21.612 -2.665 -7.986 653 2HD2 LEU 82 HD22 LEU 82 -20.026 -1.901 -7.886 654 3HD2 LEU 82 HD23 LEU 82 -21.201 -1.664 -6.593 655 H ALA 83 HN ALA 83 -18.468 -4.917 -10.695 656 HA ALA 83 HA ALA 83 -17.677 -6.448 -12.101 657 1HB ALA 83 HB1 ALA 83 -15.428 -5.912 -11.221 658 2HB ALA 83 HB2 ALA 83 -15.563 -7.603 -11.697 659 3HB ALA 83 HB3 ALA 83 -15.626 -7.159 -9.990 660 H ALA 84 HN ALA 84 -19.316 -7.707 -12.333 661 HA ALA 84 HA ALA 84 -19.561 -10.020 -10.547 662 1HB ALA 84 HB1 ALA 84 -21.793 -8.409 -11.802 663 2HB ALA 84 HB2 ALA 84 -21.351 -8.410 -10.094 664 3HB ALA 84 HB3 ALA 84 -21.994 -9.873 -10.839 665 HA PRO 85 HA PRO 85 -19.343 -12.614 -14.150 666 1HB PRO 85 HB2 PRO 85 -21.649 -14.160 -13.652 667 2HB PRO 85 HB1 PRO 85 -20.006 -14.544 -13.142 668 1HG PRO 85 HG2 PRO 85 -22.225 -13.303 -11.609 669 2HG PRO 85 HG1 PRO 85 -20.923 -14.371 -11.054 670 1HD PRO 85 HD2 PRO 85 -20.913 -11.743 -10.535 671 2HD PRO 85 HD1 PRO 85 -19.413 -12.635 -10.866 672 H LYS 86 HN LYS 86 -19.976 -12.267 -16.165 673 HA LYS 86 HA LYS 86 -22.115 -10.471 -16.750 674 1HB LYS 86 HB2 LYS 86 -20.369 -12.102 -18.602 675 2HB LYS 86 HB1 LYS 86 -21.484 -10.846 -19.126 676 1HG LYS 86 HG2 LYS 86 -20.225 -9.189 -17.842 677 2HG LYS 86 HG1 LYS 86 -19.111 -10.448 -17.315 678 1HD LYS 86 HD2 LYS 86 -18.130 -9.209 -19.139 679 2HD LYS 86 HD1 LYS 86 -18.501 -10.843 -19.677 680 1HE LYS 86 HE2 LYS 86 -19.109 -9.219 -21.380 681 2HE LYS 86 HE1 LYS 86 -20.541 -10.032 -20.754 682 1HZ LYS 86 HZ1 LYS 86 -21.029 -8.082 -19.414 683 2HZ LYS 86 HZ2 LYS 86 -20.889 -7.670 -21.029 684 3HZ LYS 86 HZ3 LYS 86 -19.636 -7.300 -19.967 685 H SER 87 HN SER 87 -21.899 -13.858 -16.515 686 HA SER 87 HA SER 87 -24.583 -14.066 -17.655 687 1HB SER 87 HB2 SER 87 -22.755 -15.340 -18.875 688 2HB SER 87 HB1 SER 87 -22.505 -16.268 -17.399 689 HG SER 87 HG SER 87 -23.988 -17.513 -18.205 690 H LYS 88 HN LYS 88 -26.048 -15.333 -16.385 691 HA LYS 88 HA LYS 88 -25.672 -15.298 -13.538 692 1HB LYS 88 HB2 LYS 88 -27.546 -17.107 -15.086 693 2HB LYS 88 HB1 LYS 88 -27.697 -16.622 -13.413 694 1HG LYS 88 HG2 LYS 88 -28.244 -14.351 -14.112 695 2HG LYS 88 HG1 LYS 88 -28.037 -14.818 -15.805 696 1HD LYS 88 HD2 LYS 88 -30.070 -15.949 -13.868 697 2HD LYS 88 HD1 LYS 88 -30.405 -14.855 -15.214 698 1HE LYS 88 HE2 LYS 88 -29.719 -16.532 -16.810 699 2HE LYS 88 HE1 LYS 88 -29.196 -17.608 -15.519 700 1HZ LYS 88 HZ1 LYS 88 -31.526 -17.725 -14.781 701 2HZ LYS 88 HZ2 LYS 88 -31.294 -18.311 -16.341 702 3HZ LYS 88 HZ3 LYS 88 -31.997 -16.801 -16.135 703 H ASN 89 HN ASN 89 -25.586 -17.608 -16.088 704 HA ASN 89 HA ASN 89 -23.385 -19.059 -15.237 705 1HB ASN 89 HB2 ASN 89 -24.942 -20.098 -13.624 706 2HB ASN 89 HB1 ASN 89 -26.087 -20.423 -14.921 707 1HD2 ASN 89 HD21 ASN 89 -26.062 -22.594 -14.516 708 2HD2 ASN 89 HD22 ASN 89 -24.728 -23.618 -14.940 Start of MODEL 17 1 1H GLY 1 HT1 GLY 1 -14.708 13.418 -1.910 2 2H GLY 1 HT2 GLY 1 -14.507 14.598 -0.722 3 3H GLY 1 HT3 GLY 1 -15.621 13.368 -0.478 4 1HA GLY 1 HA1 GLY 1 -13.728 11.774 -0.521 5 2HA GLY 1 HA2 GLY 1 -12.675 13.188 -0.536 6 H ASP 2 HN ASP 2 -14.241 11.004 1.318 7 HA ASP 2 HA ASP 2 -14.114 12.660 3.743 8 1HB ASP 2 HB2 ASP 2 -16.464 12.428 3.201 9 2HB ASP 2 HB1 ASP 2 -16.276 10.703 2.918 10 H GLY 3 HN GLY 3 -13.339 11.579 5.541 11 1HA GLY 3 HA2 GLY 3 -13.005 9.587 6.778 12 2HA GLY 3 HA1 GLY 3 -12.922 8.702 5.268 13 H GLU 4 HN GLU 4 -11.083 7.745 5.443 14 HA GLU 4 HA GLU 4 -8.902 7.295 5.443 15 1HB GLU 4 HB2 GLU 4 -8.553 8.978 3.721 16 2HB GLU 4 HB1 GLU 4 -8.512 10.258 4.925 17 1HG GLU 4 HG2 GLU 4 -6.272 9.751 4.157 18 2HG GLU 4 HG1 GLU 4 -6.453 9.320 5.855 19 H ALA 5 HN ALA 5 -8.583 6.513 7.347 20 HA ALA 5 HA ALA 5 -7.622 8.325 9.450 21 1HB ALA 5 HB1 ALA 5 -9.320 5.846 9.814 22 2HB ALA 5 HB2 ALA 5 -9.867 7.510 10.018 23 3HB ALA 5 HB3 ALA 5 -8.655 6.840 11.112 24 H GLN 6 HN GLN 6 -6.476 6.505 7.260 25 HA GLN 6 HA GLN 6 -4.750 4.928 9.019 26 1HB GLN 6 HB2 GLN 6 -6.260 3.509 7.651 27 2HB GLN 6 HB1 GLN 6 -5.689 4.306 6.198 28 1HG GLN 6 HG2 GLN 6 -3.415 3.379 6.688 29 2HG GLN 6 HG1 GLN 6 -4.147 2.447 7.995 30 1HE2 GLN 6 HE21 GLN 6 -3.673 0.468 7.003 31 2HE2 GLN 6 HE22 GLN 6 -4.509 -0.072 5.589 32 H ARG 7 HN ARG 7 -4.556 5.446 5.634 33 HA ARG 7 HA ARG 7 -3.246 7.475 4.809 34 1HB ARG 7 HB2 ARG 7 -0.818 7.254 4.948 35 2HB ARG 7 HB1 ARG 7 -1.390 7.161 6.601 36 1HG ARG 7 HG2 ARG 7 -1.033 4.587 5.174 37 2HG ARG 7 HG1 ARG 7 0.430 5.493 5.545 38 1HD ARG 7 HD2 ARG 7 -1.670 4.832 7.594 39 2HD ARG 7 HD1 ARG 7 -0.297 3.778 7.249 40 HE ARG 7 HE ARG 7 0.995 5.985 7.742 41 1HH1 ARG 7 HH11 ARG 7 -1.919 5.005 9.441 42 2HH1 ARG 7 HH12 ARG 7 -1.385 5.411 11.000 43 1HH2 ARG 7 HH21 ARG 7 1.815 6.554 9.908 44 2HH2 ARG 7 HH22 ARG 7 0.818 6.293 11.265 45 H ASP 8 HN ASP 8 -2.494 7.021 2.671 46 HA ASP 8 HA ASP 8 -3.002 4.291 1.878 47 1HB ASP 8 HB2 ASP 8 -2.320 6.730 0.259 48 2HB ASP 8 HB1 ASP 8 -2.230 5.118 -0.453 49 H LEU 9 HN LEU 9 -1.401 3.154 0.444 50 HA LEU 9 HA LEU 9 0.854 2.973 2.153 51 1HB LEU 9 HB2 LEU 9 0.155 1.374 -0.280 52 2HB LEU 9 HB1 LEU 9 1.525 1.046 0.767 53 HG LEU 9 HG LEU 9 -1.380 0.955 1.575 54 1HD1 LEU 9 HD11 LEU 9 0.667 -1.229 1.221 55 2HD1 LEU 9 HD12 LEU 9 -0.713 -0.915 0.167 56 3HD1 LEU 9 HD13 LEU 9 -0.974 -1.444 1.829 57 1HD2 LEU 9 HD21 LEU 9 -0.541 0.095 3.714 58 2HD2 LEU 9 HD22 LEU 9 0.034 1.734 3.408 59 3HD2 LEU 9 HD23 LEU 9 1.116 0.360 3.171 60 H VAL 10 HN VAL 10 0.331 4.568 -0.813 61 HA VAL 10 HA VAL 10 3.156 4.866 -1.297 62 HB VAL 10 HB VAL 10 0.737 6.259 -2.531 63 1HG1 VAL 10 HG11 VAL 10 2.700 7.755 -2.668 64 2HG1 VAL 10 HG12 VAL 10 2.263 7.124 -4.259 65 3HG1 VAL 10 HG13 VAL 10 3.639 6.448 -3.389 66 1HG2 VAL 10 HG21 VAL 10 2.610 4.152 -3.573 67 2HG2 VAL 10 HG22 VAL 10 1.300 4.901 -4.486 68 3HG2 VAL 10 HG23 VAL 10 0.935 3.916 -3.067 69 H LYS 11 HN LYS 11 0.889 6.140 0.769 70 HA LYS 11 HA LYS 11 2.419 8.575 1.322 71 1HB LYS 11 HB2 LYS 11 -0.191 7.571 2.427 72 2HB LYS 11 HB1 LYS 11 0.494 9.163 2.743 73 1HG LYS 11 HG2 LYS 11 -0.496 8.122 0.089 74 2HG LYS 11 HG1 LYS 11 -1.340 9.257 1.135 75 1HD LYS 11 HD2 LYS 11 0.549 10.843 0.863 76 2HD LYS 11 HD1 LYS 11 1.293 9.707 -0.269 77 1HE LYS 11 HE2 LYS 11 0.065 11.483 -1.437 78 2HE LYS 11 HE1 LYS 11 -0.636 9.895 -1.747 79 1HZ LYS 11 HZ1 LYS 11 -2.403 10.344 -0.239 80 2HZ LYS 11 HZ2 LYS 11 -2.314 11.708 -1.216 81 3HZ LYS 11 HZ3 LYS 11 -1.661 11.726 0.345 82 H ALA 12 HN ALA 12 2.782 5.540 1.906 83 HA ALA 12 HA ALA 12 3.556 5.869 4.717 84 1HB ALA 12 HB1 ALA 12 2.917 3.556 5.170 85 2HB ALA 12 HB2 ALA 12 2.346 3.378 3.512 86 3HB ALA 12 HB3 ALA 12 1.530 4.490 4.613 87 H VAL 13 HN VAL 13 3.886 3.310 2.271 88 HA VAL 13 HA VAL 13 6.514 2.608 2.988 89 HB VAL 13 HB VAL 13 5.054 2.137 0.371 90 1HG1 VAL 13 HG11 VAL 13 7.432 1.812 0.107 91 2HG1 VAL 13 HG12 VAL 13 6.599 0.257 0.045 92 3HG1 VAL 13 HG13 VAL 13 7.475 0.737 1.504 93 1HG2 VAL 13 HG21 VAL 13 5.263 0.391 2.826 94 2HG2 VAL 13 HG22 VAL 13 4.505 -0.067 1.301 95 3HG2 VAL 13 HG23 VAL 13 3.824 1.241 2.266 96 H ALA 14 HN ALA 14 5.251 4.398 0.215 97 HA ALA 14 HA ALA 14 7.760 5.086 -0.834 98 1HB ALA 14 HB1 ALA 14 6.547 6.668 -2.256 99 2HB ALA 14 HB2 ALA 14 5.118 6.507 -1.222 100 3HB ALA 14 HB3 ALA 14 5.680 5.135 -2.158 101 H HIS 15 HN HIS 15 5.733 6.512 1.553 102 HA HIS 15 HA HIS 15 6.959 9.065 1.735 103 1HB HIS 15 HB2 HIS 15 4.674 8.532 2.554 104 2HB HIS 15 HB1 HIS 15 5.368 7.523 3.803 105 HD1 HIS 15 HD1 HIS 15 4.732 11.094 2.881 106 HD2 HIS 15 HD2 HIS 15 6.347 8.917 6.026 107 HE1 HIS 15 HE1 HIS 15 4.885 12.687 4.798 108 HE2 HIS 15 HE2 HIS 15 5.452 11.219 6.737 109 H ILE 16 HN ILE 16 7.714 5.933 3.034 110 HA ILE 16 HA ILE 16 9.674 6.869 4.932 111 HB ILE 16 HB ILE 16 9.152 4.097 3.799 112 1HG1 ILE 16 HG12 ILE 16 7.324 4.896 5.215 113 2HG1 ILE 16 HG11 ILE 16 8.172 3.567 5.988 114 1HG2 ILE 16 HG21 ILE 16 11.010 4.830 6.053 115 2HG2 ILE 16 HG22 ILE 16 11.468 4.206 4.470 116 3HG2 ILE 16 HG23 ILE 16 10.560 3.188 5.589 117 1HD1 ILE 16 HD11 ILE 16 9.335 5.161 7.434 118 2HD1 ILE 16 HD12 ILE 16 7.584 5.301 7.586 119 3HD1 ILE 16 HD13 ILE 16 8.488 6.490 6.648 120 H LEU 17 HN LEU 17 9.613 5.642 1.644 121 HA LEU 17 HA LEU 17 12.442 5.366 1.338 122 1HB LEU 17 HB2 LEU 17 10.372 5.618 -0.834 123 2HB LEU 17 HB1 LEU 17 11.978 4.945 -0.981 124 HG LEU 17 HG LEU 17 9.639 3.767 0.493 125 1HD1 LEU 17 HD11 LEU 17 9.525 3.493 -1.891 126 2HD1 LEU 17 HD12 LEU 17 9.863 1.949 -1.110 127 3HD1 LEU 17 HD13 LEU 17 11.160 2.830 -1.917 128 1HD2 LEU 17 HD21 LEU 17 11.084 1.860 0.995 129 2HD2 LEU 17 HD22 LEU 17 11.669 3.339 1.759 130 3HD2 LEU 17 HD23 LEU 17 12.459 2.721 0.307 131 H GLY 18 HN GLY 18 10.125 7.867 0.588 132 1HA GLY 18 HA2 GLY 18 10.913 10.177 0.663 133 2HA GLY 18 HA1 GLY 18 12.383 9.623 -0.135 134 H ILE 19 HN ILE 19 9.079 8.691 -0.890 135 HA ILE 19 HA ILE 19 9.122 10.246 -3.316 136 HB ILE 19 HB ILE 19 8.026 8.063 -4.315 137 1HG1 ILE 19 HG12 ILE 19 10.048 6.937 -2.368 138 2HG1 ILE 19 HG11 ILE 19 8.316 6.642 -2.375 139 1HG2 ILE 19 HG21 ILE 19 10.986 8.594 -4.278 140 2HG2 ILE 19 HG22 ILE 19 9.758 9.235 -5.403 141 3HG2 ILE 19 HG23 ILE 19 10.159 7.531 -5.428 142 1HD1 ILE 19 HD11 ILE 19 10.268 5.770 -4.496 143 2HD1 ILE 19 HD12 ILE 19 8.530 5.456 -4.495 144 3HD1 ILE 19 HD13 ILE 19 9.555 4.747 -3.246 145 H ARG 20 HN ARG 20 7.001 10.065 -4.395 146 HA ARG 20 HA ARG 20 4.663 9.185 -3.057 147 1HB ARG 20 HB2 ARG 20 4.928 11.116 -1.611 148 2HB ARG 20 HB1 ARG 20 5.223 12.155 -3.008 149 1HG ARG 20 HG2 ARG 20 2.933 11.707 -3.796 150 2HG ARG 20 HG1 ARG 20 2.638 10.760 -2.340 151 1HD ARG 20 HD2 ARG 20 2.825 12.684 -0.965 152 2HD ARG 20 HD1 ARG 20 3.459 13.655 -2.299 153 HE ARG 20 HE ARG 20 1.057 12.784 -3.205 154 1HH1 ARG 20 HH11 ARG 20 1.908 14.446 -0.184 155 2HH1 ARG 20 HH12 ARG 20 0.575 15.494 -0.213 156 1HH2 ARG 20 HH21 ARG 20 -0.835 14.189 -3.203 157 2HH2 ARG 20 HH22 ARG 20 -1.044 15.316 -1.956 158 H ASP 21 HN ASP 21 5.965 11.603 -5.265 159 HA ASP 21 HA ASP 21 3.685 11.443 -7.014 160 1HB ASP 21 HB2 ASP 21 6.366 12.764 -7.513 161 2HB ASP 21 HB1 ASP 21 4.932 12.941 -8.518 162 H LEU 22 HN LEU 22 6.869 10.132 -6.958 163 HA LEU 22 HA LEU 22 7.853 8.471 -8.082 164 1HB LEU 22 HB2 LEU 22 4.990 7.727 -8.638 165 2HB LEU 22 HB1 LEU 22 6.302 6.829 -9.360 166 HG LEU 22 HG LEU 22 5.456 5.684 -7.443 167 1HD1 LEU 22 HD11 LEU 22 7.555 5.443 -6.162 168 2HD1 LEU 22 HD12 LEU 22 8.162 6.890 -6.981 169 3HD1 LEU 22 HD13 LEU 22 7.790 5.452 -7.911 170 1HD2 LEU 22 HD21 LEU 22 6.190 8.131 -5.839 171 2HD2 LEU 22 HD22 LEU 22 5.670 6.585 -5.168 172 3HD2 LEU 22 HD23 LEU 22 4.563 7.536 -6.154 173 H ALA 23 HN ALA 23 7.002 11.050 -9.352 174 HA ALA 23 HA ALA 23 6.807 10.388 -12.097 175 1HB ALA 23 HB1 ALA 23 5.657 12.362 -11.257 176 2HB ALA 23 HB2 ALA 23 6.834 12.818 -12.492 177 3HB ALA 23 HB3 ALA 23 7.197 13.078 -10.786 178 H GLY 24 HN GLY 24 8.695 9.164 -12.193 179 1HA GLY 24 HA2 GLY 24 10.886 9.944 -13.459 180 2HA GLY 24 HA1 GLY 24 11.217 10.525 -11.818 181 H ILE 25 HN ILE 25 9.697 8.289 -10.708 182 HA ILE 25 HA ILE 25 11.955 6.489 -10.426 183 HB ILE 25 HB ILE 25 9.180 6.315 -9.208 184 1HG1 ILE 25 HG12 ILE 25 10.271 8.448 -8.623 185 2HG1 ILE 25 HG11 ILE 25 10.063 7.403 -7.227 186 1HG2 ILE 25 HG21 ILE 25 11.774 5.035 -8.336 187 2HG2 ILE 25 HG22 ILE 25 10.408 4.208 -9.083 188 3HG2 ILE 25 HG23 ILE 25 10.234 4.923 -7.479 189 1HD1 ILE 25 HD11 ILE 25 12.628 7.848 -8.744 190 2HD1 ILE 25 HD12 ILE 25 12.410 6.787 -7.345 191 3HD1 ILE 25 HD13 ILE 25 12.190 8.527 -7.169 192 H ASN 26 HN ASN 26 11.832 4.254 -10.952 193 HA ASN 26 HA ASN 26 10.034 3.724 -13.175 194 1HB ASN 26 HB2 ASN 26 12.285 2.055 -12.015 195 2HB ASN 26 HB1 ASN 26 11.245 1.501 -13.314 196 1HD2 ASN 26 HD21 ASN 26 11.541 2.372 -15.414 197 2HD2 ASN 26 HD22 ASN 26 12.940 3.307 -15.782 198 H LEU 27 HN LEU 27 8.260 2.638 -13.002 199 HA LEU 27 HA LEU 27 7.569 1.543 -10.383 200 1HB LEU 27 HB2 LEU 27 5.848 2.033 -12.824 201 2HB LEU 27 HB1 LEU 27 5.254 1.425 -11.291 202 HG LEU 27 HG LEU 27 6.437 4.158 -11.793 203 1HD1 LEU 27 HD11 LEU 27 4.171 3.936 -12.641 204 2HD1 LEU 27 HD12 LEU 27 4.231 4.983 -11.221 205 3HD1 LEU 27 HD13 LEU 27 3.631 3.336 -11.067 206 1HD2 LEU 27 HD21 LEU 27 5.869 4.638 -9.452 207 2HD2 LEU 27 HD22 LEU 27 7.076 3.363 -9.583 208 3HD2 LEU 27 HD23 LEU 27 5.396 2.955 -9.229 209 H ASP 28 HN ASP 28 9.253 0.506 -12.647 210 HA ASP 28 HA ASP 28 8.183 -2.214 -12.905 211 1HB ASP 28 HB2 ASP 28 10.589 -0.870 -14.174 212 2HB ASP 28 HB1 ASP 28 10.129 -2.544 -14.438 213 H SER 29 HN SER 29 9.809 -0.405 -10.778 214 HA SER 29 HA SER 29 11.837 -2.350 -10.120 215 1HB SER 29 HB2 SER 29 11.262 0.408 -9.012 216 2HB SER 29 HB1 SER 29 12.670 -0.587 -8.649 217 HG SER 29 HG SER 29 13.403 -0.333 -10.706 218 H SER 30 HN SER 30 11.100 -3.928 -8.885 219 HA SER 30 HA SER 30 8.832 -3.829 -7.192 220 1HB SER 30 HB2 SER 30 11.183 -5.722 -7.248 221 2HB SER 30 HB1 SER 30 9.642 -6.057 -6.473 222 HG SER 30 HG SER 30 10.219 -5.711 -9.229 223 H LEU 31 HN LEU 31 8.844 -3.885 -4.850 224 HA LEU 31 HA LEU 31 10.539 -2.057 -3.605 225 1HB LEU 31 HB2 LEU 31 9.027 -4.246 -2.166 226 2HB LEU 31 HB1 LEU 31 9.671 -2.776 -1.475 227 HG LEU 31 HG LEU 31 7.344 -3.016 -3.360 228 1HD1 LEU 31 HD11 LEU 31 6.096 -2.060 -1.492 229 2HD1 LEU 31 HD12 LEU 31 7.560 -2.087 -0.508 230 3HD1 LEU 31 HD13 LEU 31 6.848 -3.598 -1.068 231 1HD2 LEU 31 HD21 LEU 31 8.612 -0.522 -2.237 232 2HD2 LEU 31 HD22 LEU 31 7.095 -0.616 -3.146 233 3HD2 LEU 31 HD23 LEU 31 8.620 -1.031 -3.932 234 H ALA 32 HN ALA 32 11.040 -5.408 -4.185 235 HA ALA 32 HA ALA 32 13.124 -5.693 -2.245 236 1HB ALA 32 HB1 ALA 32 13.661 -7.828 -3.405 237 2HB ALA 32 HB2 ALA 32 12.397 -7.448 -4.586 238 3HB ALA 32 HB3 ALA 32 12.000 -7.658 -2.873 239 H ASP 33 HN ASP 33 12.868 -4.788 -5.536 240 HA ASP 33 HA ASP 33 15.600 -5.053 -6.289 241 1HB ASP 33 HB2 ASP 33 13.785 -4.883 -7.985 242 2HB ASP 33 HB1 ASP 33 13.462 -3.234 -7.461 243 H LEU 34 HN LEU 34 13.520 -2.553 -5.113 244 HA LEU 34 HA LEU 34 15.322 -0.414 -4.803 245 1HB LEU 34 HB2 LEU 34 12.810 -1.259 -3.392 246 2HB LEU 34 HB1 LEU 34 13.726 0.106 -2.812 247 HG LEU 34 HG LEU 34 13.096 1.455 -4.637 248 1HD1 LEU 34 HD11 LEU 34 12.165 -1.026 -6.089 249 2HD1 LEU 34 HD12 LEU 34 13.648 -0.140 -6.450 250 3HD1 LEU 34 HD13 LEU 34 12.082 0.629 -6.688 251 1HD2 LEU 34 HD21 LEU 34 10.888 -0.451 -4.044 252 2HD2 LEU 34 HD22 LEU 34 10.663 1.122 -4.815 253 3HD2 LEU 34 HD23 LEU 34 11.268 1.017 -3.148 254 H GLY 35 HN GLY 35 14.225 -2.887 -2.494 255 1HA GLY 35 HA2 GLY 35 15.900 -4.121 -1.274 256 2HA GLY 35 HA1 GLY 35 16.815 -2.624 -1.151 257 H LEU 36 HN LEU 36 14.515 -4.595 0.284 258 HA LEU 36 HA LEU 36 14.321 -2.594 2.393 259 1HB LEU 36 HB2 LEU 36 12.032 -3.201 2.930 260 2HB LEU 36 HB1 LEU 36 12.127 -2.717 1.262 261 HG LEU 36 HG LEU 36 12.187 -5.345 0.868 262 1HD1 LEU 36 HD11 LEU 36 10.714 -5.115 3.489 263 2HD1 LEU 36 HD12 LEU 36 12.242 -5.959 3.233 264 3HD1 LEU 36 HD13 LEU 36 10.772 -6.543 2.455 265 1HD2 LEU 36 HD21 LEU 36 10.538 -3.830 -0.008 266 2HD2 LEU 36 HD22 LEU 36 9.707 -3.780 1.548 267 3HD2 LEU 36 HD23 LEU 36 9.756 -5.280 0.617 268 H ASP 37 HN ASP 37 15.455 -3.249 4.022 269 HA ASP 37 HA ASP 37 15.320 -6.115 4.724 270 1HB ASP 37 HB2 ASP 37 17.679 -6.154 5.310 271 2HB ASP 37 HB1 ASP 37 17.499 -5.637 3.640 272 H SER 38 HN SER 38 14.788 -2.971 5.740 273 HA SER 38 HA SER 38 14.656 -3.754 8.450 274 1HB SER 38 HB2 SER 38 16.362 -1.442 7.492 275 2HB SER 38 HB1 SER 38 15.935 -1.768 9.169 276 HG SER 38 HG SER 38 17.562 -3.331 7.431 277 H LEU 39 HN LEU 39 12.803 -3.211 8.829 278 HA LEU 39 HA LEU 39 11.005 -1.896 9.517 279 1HB LEU 39 HB2 LEU 39 12.485 0.000 9.753 280 2HB LEU 39 HB1 LEU 39 12.398 0.305 8.032 281 HG LEU 39 HG LEU 39 9.903 0.645 8.386 282 1HD1 LEU 39 HD11 LEU 39 9.210 1.337 10.609 283 2HD1 LEU 39 HD12 LEU 39 10.783 0.851 11.242 284 3HD1 LEU 39 HD13 LEU 39 9.699 -0.356 10.551 285 1HD2 LEU 39 HD21 LEU 39 11.845 2.580 9.619 286 2HD2 LEU 39 HD22 LEU 39 10.202 2.957 9.073 287 3HD2 LEU 39 HD23 LEU 39 11.428 2.441 7.907 288 H MET 40 HN MET 40 12.004 -1.484 6.242 289 HA MET 40 HA MET 40 9.575 -0.544 5.183 290 1HB MET 40 HB2 MET 40 11.853 -1.866 3.723 291 2HB MET 40 HB1 MET 40 10.595 -0.876 2.998 292 1HG MET 40 HG2 MET 40 11.370 1.072 4.167 293 2HG MET 40 HG1 MET 40 12.526 0.107 5.083 294 1HE MET 40 HE1 MET 40 13.413 2.740 3.655 295 2HE MET 40 HE2 MET 40 14.904 2.230 2.861 296 3HE MET 40 HE3 MET 40 14.537 1.672 4.492 297 H GLY 41 HN GLY 41 10.152 -3.672 6.222 298 1HA GLY 41 HA2 GLY 41 8.019 -4.667 4.446 299 2HA GLY 41 HA1 GLY 41 9.193 -5.691 5.274 300 H VAL 42 HN VAL 42 9.081 -4.195 7.733 301 HA VAL 42 HA VAL 42 6.868 -5.610 8.944 302 HB VAL 42 HB VAL 42 8.847 -3.679 10.199 303 1HG1 VAL 42 HG11 VAL 42 8.225 -4.729 12.327 304 2HG1 VAL 42 HG12 VAL 42 7.011 -5.694 11.482 305 3HG1 VAL 42 HG13 VAL 42 6.857 -3.937 11.539 306 1HG2 VAL 42 HG21 VAL 42 10.038 -5.679 10.978 307 2HG2 VAL 42 HG22 VAL 42 10.005 -5.561 9.221 308 3HG2 VAL 42 HG23 VAL 42 8.931 -6.693 10.047 309 H GLU 43 HN GLU 43 7.750 -2.249 8.361 310 HA GLU 43 HA GLU 43 5.710 -0.995 9.774 311 1HB GLU 43 HB2 GLU 43 7.696 0.106 8.700 312 2HB GLU 43 HB1 GLU 43 6.899 -0.088 7.147 313 1HG GLU 43 HG2 GLU 43 6.501 2.168 7.885 314 2HG GLU 43 HG1 GLU 43 5.026 1.224 8.003 315 H VAL 44 HN VAL 44 5.861 -2.222 6.514 316 HA VAL 44 HA VAL 44 3.379 -1.394 5.510 317 HB VAL 44 HB VAL 44 4.785 -3.992 4.858 318 1HG1 VAL 44 HG11 VAL 44 3.817 -3.705 2.643 319 2HG1 VAL 44 HG12 VAL 44 3.005 -2.237 3.199 320 3HG1 VAL 44 HG13 VAL 44 2.577 -3.805 3.900 321 1HG2 VAL 44 HG21 VAL 44 5.988 -2.772 3.121 322 2HG2 VAL 44 HG22 VAL 44 6.397 -2.233 4.745 323 3HG2 VAL 44 HG23 VAL 44 5.322 -1.252 3.735 324 H ARG 45 HN ARG 45 4.371 -4.443 7.000 325 HA ARG 45 HA ARG 45 1.813 -5.566 6.961 326 1HB ARG 45 HB2 ARG 45 4.261 -6.268 8.520 327 2HB ARG 45 HB1 ARG 45 2.804 -7.212 8.695 328 1HG ARG 45 HG2 ARG 45 2.916 -7.424 6.119 329 2HG ARG 45 HG1 ARG 45 4.582 -6.874 6.309 330 1HD ARG 45 HD2 ARG 45 3.343 -9.284 7.628 331 2HD ARG 45 HD1 ARG 45 4.445 -9.312 6.257 332 HE ARG 45 HE ARG 45 6.107 -8.319 7.763 333 1HH1 ARG 45 HH11 ARG 45 3.391 -10.167 9.193 334 2HH1 ARG 45 HH12 ARG 45 4.242 -10.618 10.574 335 1HH2 ARG 45 HH21 ARG 45 7.267 -9.009 9.664 336 2HH2 ARG 45 HH22 ARG 45 6.508 -9.975 10.842 337 H GLN 46 HN GLN 46 3.369 -3.577 9.383 338 HA GLN 46 HA GLN 46 1.307 -4.007 11.314 339 1HB GLN 46 HB2 GLN 46 3.329 -1.776 11.094 340 2HB GLN 46 HB1 GLN 46 2.222 -1.975 12.439 341 1HG GLN 46 HG2 GLN 46 3.250 -4.103 12.982 342 2HG GLN 46 HG1 GLN 46 4.340 -3.931 11.608 343 1HE2 GLN 46 HE21 GLN 46 4.818 -4.095 14.506 344 2HE2 GLN 46 HE22 GLN 46 5.806 -2.727 14.887 345 H ILE 47 HN ILE 47 1.344 -2.258 8.478 346 HA ILE 47 HA ILE 47 -0.742 -0.440 9.374 347 HB ILE 47 HB ILE 47 0.493 -0.766 6.607 348 1HG1 ILE 47 HG12 ILE 47 0.894 1.433 8.648 349 2HG1 ILE 47 HG11 ILE 47 2.010 0.099 8.392 350 1HG2 ILE 47 HG21 ILE 47 -1.786 0.098 6.495 351 2HG2 ILE 47 HG22 ILE 47 -0.623 1.360 6.079 352 3HG2 ILE 47 HG23 ILE 47 -1.385 1.347 7.671 353 1HD1 ILE 47 HD11 ILE 47 2.365 0.871 6.088 354 2HD1 ILE 47 HD12 ILE 47 2.817 2.070 7.287 355 3HD1 ILE 47 HD13 ILE 47 1.299 2.243 6.398 356 H LEU 48 HN LEU 48 -0.312 -2.963 6.916 357 HA LEU 48 HA LEU 48 -3.081 -2.983 6.271 358 1HB LEU 48 HB2 LEU 48 -0.881 -4.863 5.487 359 2HB LEU 48 HB1 LEU 48 -2.533 -5.082 4.966 360 HG LEU 48 HG LEU 48 -1.450 -4.095 3.177 361 1HD1 LEU 48 HD11 LEU 48 -3.584 -3.094 3.562 362 2HD1 LEU 48 HD12 LEU 48 -2.467 -1.900 2.900 363 3HD1 LEU 48 HD13 LEU 48 -2.862 -1.880 4.619 364 1HD2 LEU 48 HD21 LEU 48 -0.275 -2.065 5.057 365 2HD2 LEU 48 HD22 LEU 48 -0.088 -2.065 3.303 366 3HD2 LEU 48 HD23 LEU 48 0.587 -3.384 4.264 367 H GLU 49 HN GLU 49 -1.115 -5.153 8.254 368 HA GLU 49 HA GLU 49 -3.176 -7.070 8.599 369 1HB GLU 49 HB2 GLU 49 -0.802 -7.611 8.799 370 2HB GLU 49 HB1 GLU 49 -0.674 -6.560 10.199 371 1HG GLU 49 HG2 GLU 49 -2.282 -8.045 11.365 372 2HG GLU 49 HG1 GLU 49 -2.195 -9.131 9.979 373 H ARG 50 HN ARG 50 -2.303 -4.182 10.167 374 HA ARG 50 HA ARG 50 -3.742 -4.662 12.605 375 1HB ARG 50 HB2 ARG 50 -1.730 -3.296 12.491 376 2HB ARG 50 HB1 ARG 50 -2.549 -2.172 11.429 377 1HG ARG 50 HG2 ARG 50 -4.054 -1.553 13.233 378 2HG ARG 50 HG1 ARG 50 -3.256 -2.720 14.301 379 1HD ARG 50 HD2 ARG 50 -1.124 -1.562 13.942 380 2HD ARG 50 HD1 ARG 50 -1.942 -0.384 12.934 381 HE ARG 50 HE ARG 50 -3.004 -0.633 15.590 382 1HH1 ARG 50 HH11 ARG 50 -0.833 1.115 13.411 383 2HH1 ARG 50 HH12 ARG 50 -0.469 2.380 14.494 384 1HH2 ARG 50 HH21 ARG 50 -2.505 1.142 17.144 385 2HH2 ARG 50 HH22 ARG 50 -1.416 2.354 16.688 386 H GLU 51 HN GLU 51 -4.194 -2.680 9.704 387 HA GLU 51 HA GLU 51 -6.724 -1.703 10.607 388 1HB GLU 51 HB2 GLU 51 -5.331 -1.430 7.954 389 2HB GLU 51 HB1 GLU 51 -6.847 -0.653 8.364 390 1HG GLU 51 HG2 GLU 51 -4.205 -0.202 9.732 391 2HG GLU 51 HG1 GLU 51 -4.977 0.877 8.573 392 H HIS 52 HN HIS 52 -5.870 -3.555 7.669 393 HA HIS 52 HA HIS 52 -8.722 -4.268 7.452 394 1HB HIS 52 HB2 HIS 52 -7.250 -3.130 5.587 395 2HB HIS 52 HB1 HIS 52 -6.657 -4.753 5.326 396 HD1 HIS 52 HD1 HIS 52 -9.601 -2.553 4.739 397 HD2 HIS 52 HD2 HIS 52 -8.590 -6.553 4.181 398 HE1 HIS 52 HE1 HIS 52 -11.296 -3.461 3.153 399 HE2 HIS 52 HE2 HIS 52 -10.795 -5.904 2.976 400 H ASP 53 HN ASP 53 -6.191 -5.520 8.893 401 HA ASP 53 HA ASP 53 -5.329 -7.514 9.488 402 1HB ASP 53 HB2 ASP 53 -7.768 -7.870 10.164 403 2HB ASP 53 HB1 ASP 53 -7.987 -8.738 8.648 404 H LEU 54 HN LEU 54 -4.837 -6.623 6.894 405 HA LEU 54 HA LEU 54 -4.802 -9.032 5.290 406 1HB LEU 54 HB2 LEU 54 -4.130 -6.195 4.709 407 2HB LEU 54 HB1 LEU 54 -3.548 -7.464 3.649 408 HG LEU 54 HG LEU 54 -6.378 -6.688 4.238 409 1HD1 LEU 54 HD11 LEU 54 -6.436 -6.206 1.853 410 2HD1 LEU 54 HD12 LEU 54 -4.727 -6.648 1.748 411 3HD1 LEU 54 HD13 LEU 54 -5.219 -5.247 2.706 412 1HD2 LEU 54 HD21 LEU 54 -7.047 -8.429 2.660 413 2HD2 LEU 54 HD22 LEU 54 -6.248 -9.116 4.072 414 3HD2 LEU 54 HD23 LEU 54 -5.373 -8.970 2.547 415 H VAL 55 HN VAL 55 -3.364 -10.394 5.913 416 HA VAL 55 HA VAL 55 -0.794 -9.492 6.842 417 HB VAL 55 HB VAL 55 -1.655 -12.342 6.310 418 1HG1 VAL 55 HG11 VAL 55 0.474 -11.208 8.113 419 2HG1 VAL 55 HG12 VAL 55 0.728 -12.040 6.579 420 3HG1 VAL 55 HG13 VAL 55 0.062 -12.916 7.956 421 1HG2 VAL 55 HG21 VAL 55 -2.258 -12.504 8.683 422 2HG2 VAL 55 HG22 VAL 55 -3.274 -11.347 7.823 423 3HG2 VAL 55 HG23 VAL 55 -1.972 -10.774 8.868 424 H LEU 56 HN LEU 56 -0.342 -8.431 4.878 425 HA LEU 56 HA LEU 56 0.145 -10.053 2.525 426 1HB LEU 56 HB2 LEU 56 0.974 -7.175 2.906 427 2HB LEU 56 HB1 LEU 56 0.663 -8.011 1.406 428 HG LEU 56 HG LEU 56 -1.393 -7.043 3.396 429 1HD1 LEU 56 HD11 LEU 56 -0.482 -5.302 2.024 430 2HD1 LEU 56 HD12 LEU 56 -2.152 -5.636 1.563 431 3HD1 LEU 56 HD13 LEU 56 -0.826 -6.232 0.565 432 1HD2 LEU 56 HD21 LEU 56 -3.130 -7.881 1.964 433 2HD2 LEU 56 HD22 LEU 56 -2.083 -9.229 2.403 434 3HD2 LEU 56 HD23 LEU 56 -1.954 -8.497 0.797 435 HA PRO 57 HA PRO 57 4.109 -10.685 4.454 436 1HB PRO 57 HB2 PRO 57 4.534 -12.947 2.844 437 2HB PRO 57 HB1 PRO 57 3.897 -12.919 4.485 438 1HG PRO 57 HG2 PRO 57 2.488 -13.685 2.197 439 2HG PRO 57 HG1 PRO 57 1.754 -13.225 3.744 440 1HD PRO 57 HD2 PRO 57 2.147 -11.607 1.269 441 2HD PRO 57 HD1 PRO 57 0.786 -11.612 2.417 442 H ILE 58 HN ILE 58 6.332 -11.398 3.598 443 HA ILE 58 HA ILE 58 7.242 -9.420 1.827 444 HB ILE 58 HB ILE 58 8.600 -11.815 3.102 445 1HG1 ILE 58 HG12 ILE 58 9.976 -9.956 4.209 446 2HG1 ILE 58 HG11 ILE 58 8.820 -8.846 3.488 447 1HG2 ILE 58 HG21 ILE 58 9.958 -9.839 1.289 448 2HG2 ILE 58 HG22 ILE 58 9.693 -11.550 0.974 449 3HG2 ILE 58 HG23 ILE 58 10.765 -11.053 2.285 450 1HD1 ILE 58 HD11 ILE 58 8.166 -10.985 5.502 451 2HD1 ILE 58 HD12 ILE 58 7.031 -9.833 4.799 452 3HD1 ILE 58 HD13 ILE 58 8.339 -9.260 5.837 453 H ARG 59 HN ARG 59 6.192 -12.623 1.366 454 HA ARG 59 HA ARG 59 7.359 -13.237 -1.147 455 1HB ARG 59 HB2 ARG 59 4.605 -14.226 -0.354 456 2HB ARG 59 HB1 ARG 59 5.733 -14.982 -1.457 457 1HG ARG 59 HG2 ARG 59 6.014 -16.340 0.341 458 2HG ARG 59 HG1 ARG 59 7.207 -15.104 0.762 459 1HD ARG 59 HD2 ARG 59 5.459 -13.937 2.070 460 2HD ARG 59 HD1 ARG 59 4.359 -15.261 1.719 461 HE ARG 59 HE ARG 59 6.871 -15.762 3.106 462 1HH1 ARG 59 HH11 ARG 59 3.320 -15.952 3.046 463 2HH1 ARG 59 HH12 ARG 59 3.155 -16.358 4.681 464 1HH2 ARG 59 HH21 ARG 59 6.634 -16.393 5.408 465 2HH2 ARG 59 HH22 ARG 59 5.065 -16.646 6.039 466 H GLU 60 HN GLU 60 4.934 -10.999 -0.332 467 HA GLU 60 HA GLU 60 4.401 -10.608 -3.174 468 1HB GLU 60 HB2 GLU 60 2.520 -10.211 -0.874 469 2HB GLU 60 HB1 GLU 60 2.224 -9.542 -2.473 470 1HG GLU 60 HG2 GLU 60 2.402 -11.853 -3.379 471 2HG GLU 60 HG1 GLU 60 2.471 -12.433 -1.715 472 H VAL 61 HN VAL 61 4.686 -8.956 -0.037 473 HA VAL 61 HA VAL 61 4.526 -6.344 -0.891 474 HB VAL 61 HB VAL 61 6.224 -7.436 1.382 475 1HG1 VAL 61 HG11 VAL 61 5.389 -4.578 0.854 476 2HG1 VAL 61 HG12 VAL 61 7.031 -5.210 0.742 477 3HG1 VAL 61 HG13 VAL 61 6.211 -5.156 2.305 478 1HG2 VAL 61 HG21 VAL 61 4.364 -6.687 2.785 479 2HG2 VAL 61 HG22 VAL 61 3.846 -7.882 1.599 480 3HG2 VAL 61 HG23 VAL 61 3.483 -6.173 1.346 481 H ARG 62 HN ARG 62 7.443 -8.325 -0.806 482 HA ARG 62 HA ARG 62 9.151 -6.259 -1.700 483 1HB ARG 62 HB2 ARG 62 9.353 -9.121 -1.243 484 2HB ARG 62 HB1 ARG 62 10.466 -8.547 -2.454 485 1HG ARG 62 HG2 ARG 62 11.183 -6.807 -0.745 486 2HG ARG 62 HG1 ARG 62 10.195 -7.684 0.421 487 1HD ARG 62 HD2 ARG 62 11.522 -9.684 0.092 488 2HD ARG 62 HD1 ARG 62 12.456 -8.880 -1.166 489 HE ARG 62 HE ARG 62 12.827 -7.277 0.957 490 1HH1 ARG 62 HH11 ARG 62 13.274 -10.777 0.538 491 2HH1 ARG 62 HH12 ARG 62 14.565 -10.846 1.662 492 1HH2 ARG 62 HH21 ARG 62 14.552 -7.435 2.475 493 2HH2 ARG 62 HH22 ARG 62 15.311 -8.933 2.782 494 H GLN 63 HN GLN 63 6.756 -7.821 -3.427 495 HA GLN 63 HA GLN 63 8.213 -7.537 -5.944 496 1HB GLN 63 HB2 GLN 63 5.918 -9.400 -5.249 497 2HB GLN 63 HB1 GLN 63 6.417 -9.088 -6.896 498 1HG GLN 63 HG2 GLN 63 7.481 -11.081 -6.474 499 2HG GLN 63 HG1 GLN 63 8.744 -9.934 -6.080 500 1HE2 GLN 63 HE21 GLN 63 7.428 -9.350 -3.535 501 2HE2 GLN 63 HE22 GLN 63 7.778 -10.656 -2.445 502 H LEU 64 HN LEU 64 6.370 -5.840 -4.060 503 HA LEU 64 HA LEU 64 4.379 -5.028 -5.977 504 1HB LEU 64 HB2 LEU 64 5.102 -3.813 -3.307 505 2HB LEU 64 HB1 LEU 64 3.700 -3.405 -4.277 506 HG LEU 64 HG LEU 64 4.236 -6.027 -2.917 507 1HD1 LEU 64 HD11 LEU 64 3.606 -4.293 -1.359 508 2HD1 LEU 64 HD12 LEU 64 2.292 -5.456 -1.536 509 3HD1 LEU 64 HD13 LEU 64 2.197 -3.890 -2.342 510 1HD2 LEU 64 HD21 LEU 64 3.036 -6.399 -4.997 511 2HD2 LEU 64 HD22 LEU 64 1.843 -5.178 -4.552 512 3HD2 LEU 64 HD23 LEU 64 1.969 -6.670 -3.619 513 H THR 65 HN THR 65 4.389 -3.039 -7.036 514 HA THR 65 HA THR 65 7.067 -2.097 -7.613 515 HB THR 65 HB THR 65 5.833 -1.317 -9.655 516 HG1 THR 65 HG1 THR 65 3.679 -1.807 -9.758 517 1HG2 THR 65 HG21 THR 65 7.089 -3.432 -9.463 518 2HG2 THR 65 HG22 THR 65 5.654 -3.632 -10.499 519 3HG2 THR 65 HG23 THR 65 5.644 -4.194 -8.819 520 H LEU 66 HN LEU 66 5.803 -1.135 -5.299 521 HA LEU 66 HA LEU 66 5.531 0.722 -4.094 522 1HB LEU 66 HB2 LEU 66 7.562 1.416 -5.502 523 2HB LEU 66 HB1 LEU 66 6.445 2.356 -6.465 524 HG LEU 66 HG LEU 66 7.688 3.713 -4.815 525 1HD1 LEU 66 HD11 LEU 66 4.752 3.542 -4.254 526 2HD1 LEU 66 HD12 LEU 66 5.511 4.474 -5.546 527 3HD1 LEU 66 HD13 LEU 66 5.797 4.913 -3.855 528 1HD2 LEU 66 HD21 LEU 66 7.948 2.055 -3.070 529 2HD2 LEU 66 HD22 LEU 66 6.209 2.066 -2.775 530 3HD2 LEU 66 HD23 LEU 66 7.170 3.506 -2.435 531 H ARG 67 HN ARG 67 4.354 1.569 -7.353 532 HA ARG 67 HA ARG 67 2.217 3.013 -6.134 533 1HB ARG 67 HB2 ARG 67 2.903 2.469 -8.978 534 2HB ARG 67 HB1 ARG 67 1.267 2.987 -8.594 535 1HG ARG 67 HG2 ARG 67 3.786 4.473 -7.852 536 2HG ARG 67 HG1 ARG 67 2.693 4.886 -9.181 537 1HD ARG 67 HD2 ARG 67 0.851 5.109 -7.523 538 2HD ARG 67 HD1 ARG 67 2.003 4.785 -6.256 539 HE ARG 67 HE ARG 67 3.082 6.844 -6.679 540 1HH1 ARG 67 HH11 ARG 67 0.073 6.522 -8.569 541 2HH1 ARG 67 HH12 ARG 67 -0.246 8.180 -8.541 542 1HH2 ARG 67 HH21 ARG 67 2.548 9.181 -6.672 543 2HH2 ARG 67 HH22 ARG 67 1.155 9.677 -7.537 544 H LYS 68 HN LYS 68 2.589 -0.216 -7.169 545 HA LYS 68 HA LYS 68 -0.138 -0.935 -7.191 546 1HB LYS 68 HB2 LYS 68 1.750 -2.355 -8.054 547 2HB LYS 68 HB1 LYS 68 2.205 -2.658 -6.382 548 1HG LYS 68 HG2 LYS 68 0.133 -3.794 -5.967 549 2HG LYS 68 HG1 LYS 68 -0.437 -3.405 -7.593 550 1HD LYS 68 HD2 LYS 68 1.375 -4.727 -8.549 551 2HD LYS 68 HD1 LYS 68 1.966 -5.088 -6.920 552 1HE LYS 68 HE2 LYS 68 -0.102 -6.185 -6.391 553 2HE LYS 68 HE1 LYS 68 -0.755 -5.797 -7.982 554 1HZ LYS 68 HZ1 LYS 68 0.974 -7.180 -8.984 555 2HZ LYS 68 HZ2 LYS 68 0.065 -8.096 -7.882 556 3HZ LYS 68 HZ3 LYS 68 1.608 -7.542 -7.467 557 H LEU 69 HN LEU 69 1.988 -0.140 -4.721 558 HA LEU 69 HA LEU 69 0.855 -1.382 -2.449 559 1HB LEU 69 HB2 LEU 69 2.388 1.170 -2.757 560 2HB LEU 69 HB1 LEU 69 1.588 0.845 -1.240 561 HG LEU 69 HG LEU 69 3.952 0.299 -1.153 562 1HD1 LEU 69 HD11 LEU 69 3.792 -1.973 -0.288 563 2HD1 LEU 69 HD12 LEU 69 2.197 -2.132 -1.025 564 3HD1 LEU 69 HD13 LEU 69 2.466 -0.949 0.256 565 1HD2 LEU 69 HD21 LEU 69 4.875 -1.564 -2.417 566 2HD2 LEU 69 HD22 LEU 69 4.317 -0.277 -3.488 567 3HD2 LEU 69 HD23 LEU 69 3.351 -1.737 -3.284 568 H GLN 70 HN GLN 70 -0.114 1.620 -4.080 569 HA GLN 70 HA GLN 70 -2.154 2.013 -2.082 570 1HB GLN 70 HB2 GLN 70 -2.830 4.024 -3.387 571 2HB GLN 70 HB1 GLN 70 -1.161 4.040 -2.842 572 1HG GLN 70 HG2 GLN 70 -0.367 3.539 -4.990 573 2HG GLN 70 HG1 GLN 70 -2.010 3.272 -5.627 574 1HE2 GLN 70 HE21 GLN 70 -1.770 4.844 -7.173 575 2HE2 GLN 70 HE22 GLN 70 -1.753 6.536 -6.780 576 H GLU 71 HN GLU 71 -1.921 0.030 -4.589 577 HA GLU 71 HA GLU 71 -4.741 0.077 -5.339 578 1HB GLU 71 HB2 GLU 71 -2.929 -0.411 -7.004 579 2HB GLU 71 HB1 GLU 71 -2.476 -1.816 -6.062 580 1HG GLU 71 HG2 GLU 71 -4.700 -2.787 -6.522 581 2HG GLU 71 HG1 GLU 71 -5.059 -1.393 -7.544 582 H MET 72 HN MET 72 -2.535 -1.259 -3.149 583 HA MET 72 HA MET 72 -4.424 -3.299 -2.177 584 1HB MET 72 HB2 MET 72 -1.438 -3.068 -1.727 585 2HB MET 72 HB1 MET 72 -2.473 -4.330 -1.090 586 1HG MET 72 HG2 MET 72 -1.808 -3.835 -3.984 587 2HG MET 72 HG1 MET 72 -1.212 -5.137 -2.963 588 1HE MET 72 HE1 MET 72 -2.443 -5.655 -5.774 589 2HE MET 72 HE2 MET 72 -3.504 -7.027 -5.462 590 3HE MET 72 HE3 MET 72 -1.909 -6.961 -4.714 591 H SER 73 HN SER 73 -4.190 -0.274 -1.676 592 HA SER 73 HA SER 73 -3.085 -0.091 0.921 593 1HB SER 73 HB2 SER 73 -3.854 2.279 0.866 594 2HB SER 73 HB1 SER 73 -2.852 1.815 -0.505 595 HG SER 73 HG SER 73 -4.945 3.057 -0.766 596 H SER 74 HN SER 74 -5.893 -1.267 -0.178 597 HA SER 74 HA SER 74 -7.570 -2.335 0.876 598 1HB SER 74 HB2 SER 74 -6.335 -1.239 3.393 599 2HB SER 74 HB1 SER 74 -7.592 -2.476 3.322 600 HG SER 74 HG SER 74 -5.081 -2.692 2.024 601 H LYS 75 HN LYS 75 -7.952 0.267 -0.202 602 HA LYS 75 HA LYS 75 -10.181 1.096 1.512 603 1HB LYS 75 HB2 LYS 75 -8.458 2.965 -0.110 604 2HB LYS 75 HB1 LYS 75 -9.841 3.415 0.878 605 1HG LYS 75 HG2 LYS 75 -8.641 2.640 2.867 606 2HG LYS 75 HG1 LYS 75 -7.248 2.265 1.851 607 1HD LYS 75 HD2 LYS 75 -7.303 4.675 1.118 608 2HD LYS 75 HD1 LYS 75 -8.463 4.948 2.422 609 1HE LYS 75 HE2 LYS 75 -6.203 5.463 3.158 610 2HE LYS 75 HE1 LYS 75 -6.845 4.067 4.031 611 1HZ LYS 75 HZ1 LYS 75 -5.614 2.614 2.593 612 2HZ LYS 75 HZ2 LYS 75 -4.565 3.769 3.273 613 3HZ LYS 75 HZ3 LYS 75 -5.116 3.954 1.666 614 H ALA 76 HN ALA 76 -11.799 2.308 0.305 615 HA ALA 76 HA ALA 76 -12.034 1.311 -2.451 616 1HB ALA 76 HB1 ALA 76 -14.216 1.866 -0.438 617 2HB ALA 76 HB2 ALA 76 -13.647 0.272 -0.937 618 3HB ALA 76 HB3 ALA 76 -14.461 1.320 -2.099 619 H GLY 77 HN GLY 77 -12.648 3.908 -0.174 620 1HA GLY 77 HA2 GLY 77 -12.434 6.195 -0.631 621 2HA GLY 77 HA1 GLY 77 -12.533 5.842 -2.356 622 H SER 78 HN SER 78 -14.412 6.005 0.614 623 HA SER 78 HA SER 78 -16.883 5.886 -0.896 624 1HB SER 78 HB2 SER 78 -16.444 6.247 2.072 625 2HB SER 78 HB1 SER 78 -17.936 5.743 1.265 626 HG SER 78 HG SER 78 -15.888 4.230 0.479 627 H ASP 79 HN ASP 79 -17.201 7.736 -1.974 628 HA ASP 79 HA ASP 79 -16.434 10.291 -0.815 629 1HB ASP 79 HB2 ASP 79 -16.079 9.535 -3.270 630 2HB ASP 79 HB1 ASP 79 -17.797 9.836 -3.475 631 H THR 80 HN THR 80 -17.833 11.067 0.614 632 HA THR 80 HA THR 80 -20.547 10.095 0.605 633 HB THR 80 HB THR 80 -19.087 11.762 2.652 634 HG1 THR 80 HG1 THR 80 -18.748 9.297 1.807 635 1HG2 THR 80 HG21 THR 80 -21.560 11.771 2.898 636 2HG2 THR 80 HG22 THR 80 -20.784 10.866 4.200 637 3HG2 THR 80 HG23 THR 80 -21.556 10.008 2.868 638 H GLU 81 HN GLU 81 -18.889 13.181 0.204 639 HA GLU 81 HA GLU 81 -21.370 14.587 0.350 640 1HB GLU 81 HB2 GLU 81 -19.987 16.623 -0.273 641 2HB GLU 81 HB1 GLU 81 -19.578 15.845 1.239 642 1HG GLU 81 HG2 GLU 81 -18.058 15.391 -1.325 643 2HG GLU 81 HG1 GLU 81 -17.651 16.652 -0.167 644 H LEU 82 HN LEU 82 -22.712 14.119 -1.158 645 HA LEU 82 HA LEU 82 -21.777 14.237 -3.906 646 1HB LEU 82 HB2 LEU 82 -23.965 13.161 -4.533 647 2HB LEU 82 HB1 LEU 82 -22.887 12.180 -3.580 648 HG LEU 82 HG LEU 82 -24.345 12.785 -1.571 649 1HD1 LEU 82 HD11 LEU 82 -25.523 14.692 -2.509 650 2HD1 LEU 82 HD12 LEU 82 -26.648 13.425 -2.023 651 3HD1 LEU 82 HD13 LEU 82 -26.256 13.650 -3.729 652 1HD2 LEU 82 HD21 LEU 82 -25.996 11.071 -2.125 653 2HD2 LEU 82 HD22 LEU 82 -24.369 10.605 -2.623 654 3HD2 LEU 82 HD23 LEU 82 -25.528 11.176 -3.824 655 H ALA 83 HN ALA 83 -23.700 15.898 -1.649 656 HA ALA 83 HA ALA 83 -24.829 17.674 -3.644 657 1HB ALA 83 HB1 ALA 83 -24.776 17.824 -0.615 658 2HB ALA 83 HB2 ALA 83 -26.110 17.217 -1.596 659 3HB ALA 83 HB3 ALA 83 -25.668 18.922 -1.671 660 H ALA 84 HN ALA 84 -23.519 19.156 -4.540 661 HA ALA 84 HA ALA 84 -21.317 20.135 -2.872 662 1HB ALA 84 HB1 ALA 84 -20.477 18.386 -4.352 663 2HB ALA 84 HB2 ALA 84 -19.777 19.961 -4.725 664 3HB ALA 84 HB3 ALA 84 -21.052 19.299 -5.747 665 HA PRO 85 HA PRO 85 -22.769 24.002 -4.636 666 1HB PRO 85 HB2 PRO 85 -21.301 25.272 -2.474 667 2HB PRO 85 HB1 PRO 85 -23.050 25.220 -2.699 668 1HG PRO 85 HG2 PRO 85 -21.729 23.929 -0.672 669 2HG PRO 85 HG1 PRO 85 -23.298 23.417 -1.319 670 1HD PRO 85 HD2 PRO 85 -20.564 22.336 -1.884 671 2HD PRO 85 HD1 PRO 85 -22.101 21.467 -1.683 672 H LYS 86 HN LYS 86 -21.302 23.513 -6.332 673 HA LYS 86 HA LYS 86 -18.464 23.869 -5.834 674 1HB LYS 86 HB2 LYS 86 -19.536 21.952 -7.188 675 2HB LYS 86 HB1 LYS 86 -19.693 23.134 -8.479 676 1HG LYS 86 HG2 LYS 86 -17.689 21.861 -8.822 677 2HG LYS 86 HG1 LYS 86 -17.241 23.509 -8.364 678 1HD LYS 86 HD2 LYS 86 -16.956 22.752 -6.029 679 2HD LYS 86 HD1 LYS 86 -17.323 21.106 -6.539 680 1HE LYS 86 HE2 LYS 86 -15.371 21.177 -8.042 681 2HE LYS 86 HE1 LYS 86 -14.995 22.792 -7.444 682 1HZ LYS 86 HZ1 LYS 86 -13.671 21.188 -6.271 683 2HZ LYS 86 HZ2 LYS 86 -15.018 20.271 -5.871 684 3HZ LYS 86 HZ3 LYS 86 -14.808 21.775 -5.175 685 H SER 87 HN SER 87 -21.069 25.705 -6.863 686 HA SER 87 HA SER 87 -19.463 27.391 -8.598 687 1HB SER 87 HB2 SER 87 -21.813 26.740 -9.221 688 2HB SER 87 HB1 SER 87 -22.389 27.661 -7.839 689 HG SER 87 HG SER 87 -20.925 29.370 -9.039 690 H LYS 88 HN LYS 88 -19.236 27.065 -5.586 691 HA LYS 88 HA LYS 88 -19.557 29.864 -4.805 692 1HB LYS 88 HB2 LYS 88 -19.151 27.390 -3.110 693 2HB LYS 88 HB1 LYS 88 -19.224 29.028 -2.481 694 1HG LYS 88 HG2 LYS 88 -21.434 27.561 -3.899 695 2HG LYS 88 HG1 LYS 88 -21.333 27.894 -2.168 696 1HD LYS 88 HD2 LYS 88 -21.416 30.290 -2.611 697 2HD LYS 88 HD1 LYS 88 -21.472 29.976 -4.348 698 1HE LYS 88 HE2 LYS 88 -23.582 28.749 -4.018 699 2HE LYS 88 HE1 LYS 88 -23.531 29.167 -2.306 700 1HZ LYS 88 HZ1 LYS 88 -23.664 31.499 -2.892 701 2HZ LYS 88 HZ2 LYS 88 -24.946 30.673 -3.635 702 3HZ LYS 88 HZ3 LYS 88 -23.613 31.125 -4.531 703 H ASN 89 HN ASN 89 -17.774 30.340 -3.051 704 HA ASN 89 HA ASN 89 -15.186 29.726 -4.280 705 1HB ASN 89 HB2 ASN 89 -14.360 31.873 -3.417 706 2HB ASN 89 HB1 ASN 89 -15.792 32.155 -4.392 707 1HD2 ASN 89 HD21 ASN 89 -14.408 32.303 -1.244 708 2HD2 ASN 89 HD22 ASN 89 -15.695 33.119 -0.447 Start of MODEL 18 1 1H GLY 1 HT1 GLY 1 -10.111 17.326 2.244 2 2H GLY 1 HT2 GLY 1 -11.629 16.954 1.632 3 3H GLY 1 HT3 GLY 1 -10.253 16.664 0.686 4 1HA GLY 1 HA1 GLY 1 -11.055 14.606 1.632 5 2HA GLY 1 HA2 GLY 1 -9.505 15.038 2.349 6 H ASP 2 HN ASP 2 -9.529 14.489 4.415 7 HA ASP 2 HA ASP 2 -9.940 14.553 6.577 8 1HB ASP 2 HB2 ASP 2 -10.887 16.837 6.446 9 2HB ASP 2 HB1 ASP 2 -12.448 16.166 5.997 10 H GLY 3 HN GLY 3 -11.010 13.261 8.066 11 1HA GLY 3 HA2 GLY 3 -12.432 11.481 8.606 12 2HA GLY 3 HA1 GLY 3 -13.032 11.472 6.935 13 H GLU 4 HN GLU 4 -9.772 11.645 8.060 14 HA GLU 4 HA GLU 4 -8.865 9.792 6.105 15 1HB GLU 4 HB2 GLU 4 -7.390 10.985 8.450 16 2HB GLU 4 HB1 GLU 4 -6.670 10.226 7.039 17 1HG GLU 4 HG2 GLU 4 -8.258 12.791 7.073 18 2HG GLU 4 HG1 GLU 4 -6.508 12.645 6.901 19 H ALA 5 HN ALA 5 -8.707 7.685 6.305 20 HA ALA 5 HA ALA 5 -8.980 6.475 8.958 21 1HB ALA 5 HB1 ALA 5 -9.549 5.338 6.224 22 2HB ALA 5 HB2 ALA 5 -10.754 5.916 7.376 23 3HB ALA 5 HB3 ALA 5 -9.776 4.498 7.757 24 H GLN 6 HN GLN 6 -7.180 6.440 5.925 25 HA GLN 6 HA GLN 6 -4.948 5.205 7.313 26 1HB GLN 6 HB2 GLN 6 -6.288 3.360 6.338 27 2HB GLN 6 HB1 GLN 6 -6.103 4.094 4.755 28 1HG GLN 6 HG2 GLN 6 -3.713 3.730 4.836 29 2HG GLN 6 HG1 GLN 6 -3.848 3.076 6.467 30 1HE2 GLN 6 HE21 GLN 6 -6.280 1.644 5.963 31 2HE2 GLN 6 HE22 GLN 6 -5.941 0.328 4.930 32 H ARG 7 HN ARG 7 -3.008 5.742 6.429 33 HA ARG 7 HA ARG 7 -2.963 8.193 4.926 34 1HB ARG 7 HB2 ARG 7 -0.515 8.082 5.221 35 2HB ARG 7 HB1 ARG 7 -1.416 7.956 6.728 36 1HG ARG 7 HG2 ARG 7 -1.009 5.622 6.871 37 2HG ARG 7 HG1 ARG 7 -0.364 5.571 5.232 38 1HD ARG 7 HD2 ARG 7 1.389 5.473 6.941 39 2HD ARG 7 HD1 ARG 7 1.537 6.879 5.899 40 HE ARG 7 HE ARG 7 0.084 7.595 8.180 41 1HH1 ARG 7 HH11 ARG 7 3.292 6.314 7.496 42 2HH1 ARG 7 HH12 ARG 7 4.146 7.323 8.543 43 1HH2 ARG 7 HH21 ARG 7 1.255 9.037 9.743 44 2HH2 ARG 7 HH22 ARG 7 2.965 8.993 9.784 45 H ASP 8 HN ASP 8 -3.419 5.280 3.672 46 HA ASP 8 HA ASP 8 -3.210 4.366 1.583 47 1HB ASP 8 HB2 ASP 8 -3.209 6.734 0.650 48 2HB ASP 8 HB1 ASP 8 -1.475 6.793 0.881 49 H LEU 9 HN LEU 9 -1.062 3.767 0.034 50 HA LEU 9 HA LEU 9 0.788 2.776 2.067 51 1HB LEU 9 HB2 LEU 9 -0.108 1.372 -0.435 52 2HB LEU 9 HB1 LEU 9 1.198 0.815 0.590 53 HG LEU 9 HG LEU 9 -1.705 1.047 1.370 54 1HD1 LEU 9 HD11 LEU 9 0.076 -1.350 0.941 55 2HD1 LEU 9 HD12 LEU 9 -1.230 -0.822 -0.119 56 3HD1 LEU 9 HD13 LEU 9 -1.592 -1.394 1.512 57 1HD2 LEU 9 HD21 LEU 9 -0.247 1.559 3.238 58 2HD2 LEU 9 HD22 LEU 9 0.669 0.078 2.952 59 3HD2 LEU 9 HD23 LEU 9 -1.019 -0.012 3.467 60 H VAL 10 HN VAL 10 0.530 4.333 -1.042 61 HA VAL 10 HA VAL 10 3.404 4.188 -1.448 62 HB VAL 10 HB VAL 10 1.238 5.779 -2.894 63 1HG1 VAL 10 HG11 VAL 10 3.360 7.053 -2.930 64 2HG1 VAL 10 HG12 VAL 10 2.957 6.422 -4.528 65 3HG1 VAL 10 HG13 VAL 10 4.194 5.628 -3.551 66 1HG2 VAL 10 HG21 VAL 10 1.246 3.406 -3.315 67 2HG2 VAL 10 HG22 VAL 10 2.964 3.472 -3.713 68 3HG2 VAL 10 HG23 VAL 10 1.787 4.296 -4.737 69 H LYS 11 HN LYS 11 1.001 6.229 -0.184 70 HA LYS 11 HA LYS 11 2.801 8.398 0.383 71 1HB LYS 11 HB2 LYS 11 -0.037 7.817 1.182 72 2HB LYS 11 HB1 LYS 11 0.787 9.282 1.685 73 1HG LYS 11 HG2 LYS 11 -0.757 9.725 -0.181 74 2HG LYS 11 HG1 LYS 11 0.903 10.003 -0.686 75 1HD LYS 11 HD2 LYS 11 0.941 7.942 -1.918 76 2HD LYS 11 HD1 LYS 11 -0.591 7.434 -1.223 77 1HE LYS 11 HE2 LYS 11 -0.325 9.891 -2.940 78 2HE LYS 11 HE1 LYS 11 -0.609 8.293 -3.621 79 1HZ LYS 11 HZ1 LYS 11 -2.424 9.605 -1.632 80 2HZ LYS 11 HZ2 LYS 11 -2.706 8.161 -2.492 81 3HZ LYS 11 HZ3 LYS 11 -2.640 9.613 -3.297 82 H ALA 12 HN ALA 12 2.888 5.499 1.485 83 HA ALA 12 HA ALA 12 3.555 6.207 4.253 84 1HB ALA 12 HB1 ALA 12 1.519 4.843 4.224 85 2HB ALA 12 HB2 ALA 12 2.866 3.952 4.938 86 3HB ALA 12 HB3 ALA 12 2.356 3.606 3.286 87 H VAL 13 HN VAL 13 3.969 3.423 2.037 88 HA VAL 13 HA VAL 13 6.530 2.726 2.996 89 HB VAL 13 HB VAL 13 5.169 1.978 0.387 90 1HG1 VAL 13 HG11 VAL 13 7.565 0.720 1.724 91 2HG1 VAL 13 HG12 VAL 13 7.562 1.649 0.219 92 3HG1 VAL 13 HG13 VAL 13 6.737 0.090 0.295 93 1HG2 VAL 13 HG21 VAL 13 5.353 0.498 3.014 94 2HG2 VAL 13 HG22 VAL 13 4.615 -0.121 1.534 95 3HG2 VAL 13 HG23 VAL 13 3.915 1.276 2.354 96 H ALA 14 HN ALA 14 5.519 4.355 -0.016 97 HA ALA 14 HA ALA 14 8.181 4.854 -0.808 98 1HB ALA 14 HB1 ALA 14 6.340 4.858 -2.470 99 2HB ALA 14 HB2 ALA 14 7.183 6.411 -2.514 100 3HB ALA 14 HB3 ALA 14 5.627 6.257 -1.694 101 H HIS 15 HN HIS 15 5.950 6.424 1.285 102 HA HIS 15 HA HIS 15 7.216 8.952 1.450 103 1HB HIS 15 HB2 HIS 15 4.898 8.497 2.264 104 2HB HIS 15 HB1 HIS 15 5.584 7.576 3.593 105 HD1 HIS 15 HD1 HIS 15 6.159 8.882 5.686 106 HD2 HIS 15 HD2 HIS 15 5.547 11.324 2.376 107 HE1 HIS 15 HE1 HIS 15 6.144 11.210 6.564 108 HE2 HIS 15 HE2 HIS 15 5.353 12.569 4.604 109 H ILE 16 HN ILE 16 7.845 5.867 3.022 110 HA ILE 16 HA ILE 16 9.665 6.730 4.997 111 HB ILE 16 HB ILE 16 9.716 4.126 3.417 112 1HG1 ILE 16 HG12 ILE 16 7.577 4.448 4.593 113 2HG1 ILE 16 HG11 ILE 16 8.501 3.118 5.280 114 1HG2 ILE 16 HG21 ILE 16 11.840 4.510 4.526 115 2HG2 ILE 16 HG22 ILE 16 10.972 3.184 5.298 116 3HG2 ILE 16 HG23 ILE 16 11.011 4.772 6.063 117 1HD1 ILE 16 HD11 ILE 16 9.195 4.568 7.124 118 2HD1 ILE 16 HD12 ILE 16 7.440 4.444 7.007 119 3HD1 ILE 16 HD13 ILE 16 8.263 5.893 6.424 120 H LEU 17 HN LEU 17 10.106 5.754 1.652 121 HA LEU 17 HA LEU 17 12.911 6.251 1.576 122 1HB LEU 17 HB2 LEU 17 10.891 6.012 -0.654 123 2HB LEU 17 HB1 LEU 17 12.626 6.063 -0.885 124 HG LEU 17 HG LEU 17 11.174 3.898 0.650 125 1HD1 LEU 17 HD11 LEU 17 12.312 3.863 -2.141 126 2HD1 LEU 17 HD12 LEU 17 10.599 3.843 -1.723 127 3HD1 LEU 17 HD13 LEU 17 11.630 2.482 -1.279 128 1HD2 LEU 17 HD21 LEU 17 14.023 4.117 -0.308 129 2HD2 LEU 17 HD22 LEU 17 13.307 2.722 0.503 130 3HD2 LEU 17 HD23 LEU 17 13.482 4.249 1.366 131 H GLY 18 HN GLY 18 10.076 8.134 1.009 132 1HA GLY 18 HA2 GLY 18 10.134 10.524 1.385 133 2HA GLY 18 HA1 GLY 18 11.758 10.538 0.708 134 H ILE 19 HN ILE 19 9.133 8.721 -0.689 135 HA ILE 19 HA ILE 19 9.121 10.565 -2.929 136 HB ILE 19 HB ILE 19 8.645 8.381 -4.251 137 1HG1 ILE 19 HG12 ILE 19 10.354 7.337 -1.991 138 2HG1 ILE 19 HG11 ILE 19 8.709 6.852 -2.369 139 1HG2 ILE 19 HG21 ILE 19 10.468 9.929 -4.716 140 2HG2 ILE 19 HG22 ILE 19 11.066 8.272 -4.820 141 3HG2 ILE 19 HG23 ILE 19 11.417 9.248 -3.393 142 1HD1 ILE 19 HD11 ILE 19 10.296 5.180 -3.102 143 2HD1 ILE 19 HD12 ILE 19 11.149 6.380 -4.069 144 3HD1 ILE 19 HD13 ILE 19 9.505 5.911 -4.499 145 H ARG 20 HN ARG 20 7.377 10.633 -4.200 146 HA ARG 20 HA ARG 20 4.972 9.180 -3.933 147 1HB ARG 20 HB2 ARG 20 4.557 10.471 -1.912 148 2HB ARG 20 HB1 ARG 20 5.017 11.946 -2.756 149 1HG ARG 20 HG2 ARG 20 2.723 10.460 -3.859 150 2HG ARG 20 HG1 ARG 20 2.426 11.270 -2.301 151 1HD ARG 20 HD2 ARG 20 3.325 13.383 -3.431 152 2HD ARG 20 HD1 ARG 20 3.303 12.487 -4.945 153 HE ARG 20 HE ARG 20 0.774 12.294 -3.821 154 1HH1 ARG 20 HH11 ARG 20 2.789 14.784 -5.440 155 2HH1 ARG 20 HH12 ARG 20 1.470 15.839 -5.646 156 1HH2 ARG 20 HH21 ARG 20 -0.978 13.794 -4.175 157 2HH2 ARG 20 HH22 ARG 20 -0.711 15.299 -4.921 158 H ASP 21 HN ASP 21 6.704 11.977 -5.049 159 HA ASP 21 HA ASP 21 4.936 12.147 -7.379 160 1HB ASP 21 HB2 ASP 21 7.274 13.880 -6.558 161 2HB ASP 21 HB1 ASP 21 6.276 14.128 -7.989 162 H LEU 22 HN LEU 22 8.007 11.098 -6.358 163 HA LEU 22 HA LEU 22 9.587 9.827 -7.299 164 1HB LEU 22 HB2 LEU 22 7.447 9.114 -9.338 165 2HB LEU 22 HB1 LEU 22 8.989 8.313 -9.202 166 HG LEU 22 HG LEU 22 7.389 6.871 -8.281 167 1HD1 LEU 22 HD11 LEU 22 9.348 6.826 -7.048 168 2HD1 LEU 22 HD12 LEU 22 7.992 6.667 -5.928 169 3HD1 LEU 22 HD13 LEU 22 8.849 8.206 -6.077 170 1HD2 LEU 22 HD21 LEU 22 5.544 8.395 -7.904 171 2HD2 LEU 22 HD22 LEU 22 6.378 9.093 -6.513 172 3HD2 LEU 22 HD23 LEU 22 5.850 7.418 -6.471 173 H ALA 23 HN ALA 23 10.700 11.733 -7.719 174 HA ALA 23 HA ALA 23 10.258 13.102 -10.148 175 1HB ALA 23 HB1 ALA 23 12.138 14.532 -9.459 176 2HB ALA 23 HB2 ALA 23 12.492 13.409 -8.147 177 3HB ALA 23 HB3 ALA 23 10.973 14.303 -8.157 178 H GLY 24 HN GLY 24 12.190 10.640 -9.047 179 1HA GLY 24 HA2 GLY 24 13.095 9.959 -11.669 180 2HA GLY 24 HA1 GLY 24 14.424 10.506 -10.637 181 H ILE 25 HN ILE 25 11.533 8.516 -10.191 182 HA ILE 25 HA ILE 25 13.229 6.340 -9.246 183 HB ILE 25 HB ILE 25 10.686 7.345 -7.920 184 1HG1 ILE 25 HG12 ILE 25 12.682 8.728 -7.375 185 2HG1 ILE 25 HG11 ILE 25 11.995 7.927 -5.970 186 1HG2 ILE 25 HG21 ILE 25 11.052 5.612 -6.201 187 2HG2 ILE 25 HG22 ILE 25 12.420 5.001 -7.131 188 3HG2 ILE 25 HG23 ILE 25 10.794 4.921 -7.805 189 1HD1 ILE 25 HD11 ILE 25 13.762 6.259 -6.060 190 2HD1 ILE 25 HD12 ILE 25 14.414 7.890 -5.914 191 3HD1 ILE 25 HD13 ILE 25 14.458 7.056 -7.476 192 H ASN 26 HN ASN 26 12.264 4.298 -9.709 193 HA ASN 26 HA ASN 26 10.507 4.288 -11.975 194 1HB ASN 26 HB2 ASN 26 11.790 2.115 -10.349 195 2HB ASN 26 HB1 ASN 26 10.620 1.767 -11.604 196 1HD2 ASN 26 HD21 ASN 26 12.139 0.601 -12.650 197 2HD2 ASN 26 HD22 ASN 26 13.427 1.279 -13.580 198 H LEU 27 HN LEU 27 8.573 3.112 -12.089 199 HA LEU 27 HA LEU 27 7.010 3.137 -9.588 200 1HB LEU 27 HB2 LEU 27 6.051 3.349 -12.439 201 2HB LEU 27 HB1 LEU 27 5.064 3.478 -10.998 202 HG LEU 27 HG LEU 27 7.214 5.424 -11.823 203 1HD1 LEU 27 HD11 LEU 27 4.218 5.672 -11.852 204 2HD1 LEU 27 HD12 LEU 27 5.274 5.525 -13.265 205 3HD1 LEU 27 HD13 LEU 27 5.386 6.941 -12.226 206 1HD2 LEU 27 HD21 LEU 27 6.981 5.258 -9.414 207 2HD2 LEU 27 HD22 LEU 27 5.241 5.506 -9.559 208 3HD2 LEU 27 HD23 LEU 27 6.360 6.795 -10.009 209 H ASP 28 HN ASP 28 7.903 1.431 -12.496 210 HA ASP 28 HA ASP 28 6.189 -0.837 -11.914 211 1HB ASP 28 HB2 ASP 28 7.953 -0.156 -14.249 212 2HB ASP 28 HB1 ASP 28 7.237 -1.750 -14.058 213 H SER 29 HN SER 29 8.823 -0.013 -10.515 214 HA SER 29 HA SER 29 10.205 -2.548 -10.769 215 1HB SER 29 HB2 SER 29 10.805 -0.118 -9.083 216 2HB SER 29 HB1 SER 29 11.784 -1.586 -9.116 217 HG SER 29 HG SER 29 12.735 -0.684 -10.698 218 H SER 30 HN SER 30 9.996 -4.168 -9.456 219 HA SER 30 HA SER 30 7.937 -4.180 -7.484 220 1HB SER 30 HB2 SER 30 10.107 -6.140 -8.219 221 2HB SER 30 HB1 SER 30 8.833 -6.510 -7.075 222 HG SER 30 HG SER 30 8.288 -5.625 -9.728 223 H LEU 31 HN LEU 31 8.248 -4.328 -5.238 224 HA LEU 31 HA LEU 31 10.468 -2.861 -4.296 225 1HB LEU 31 HB2 LEU 31 8.236 -4.233 -2.746 226 2HB LEU 31 HB1 LEU 31 9.608 -3.485 -2.008 227 HG LEU 31 HG LEU 31 9.011 -1.288 -2.708 228 1HD1 LEU 31 HD11 LEU 31 7.088 -0.760 -4.091 229 2HD1 LEU 31 HD12 LEU 31 6.793 -2.482 -4.339 230 3HD1 LEU 31 HD13 LEU 31 8.263 -1.739 -4.969 231 1HD2 LEU 31 HD21 LEU 31 6.529 -2.729 -1.820 232 2HD2 LEU 31 HD22 LEU 31 6.793 -0.988 -1.735 233 3HD2 LEU 31 HD23 LEU 31 7.798 -2.080 -0.781 234 H ALA 32 HN ALA 32 10.214 -6.060 -5.035 235 HA ALA 32 HA ALA 32 12.105 -7.115 -3.243 236 1HB ALA 32 HB1 ALA 32 12.181 -9.037 -4.690 237 2HB ALA 32 HB2 ALA 32 11.625 -8.070 -6.041 238 3HB ALA 32 HB3 ALA 32 10.503 -8.448 -4.756 239 H ASP 33 HN ASP 33 12.205 -5.526 -6.308 240 HA ASP 33 HA ASP 33 14.876 -6.045 -7.062 241 1HB ASP 33 HB2 ASP 33 13.053 -5.213 -8.584 242 2HB ASP 33 HB1 ASP 33 13.158 -3.654 -7.784 243 H LEU 34 HN LEU 34 13.208 -3.626 -5.326 244 HA LEU 34 HA LEU 34 15.337 -1.826 -4.769 245 1HB LEU 34 HB2 LEU 34 12.910 -2.299 -3.063 246 2HB LEU 34 HB1 LEU 34 13.809 -0.811 -3.282 247 HG LEU 34 HG LEU 34 12.055 -2.120 -5.349 248 1HD1 LEU 34 HD11 LEU 34 11.594 0.275 -3.611 249 2HD1 LEU 34 HD12 LEU 34 10.804 -1.310 -3.541 250 3HD1 LEU 34 HD13 LEU 34 10.542 -0.262 -4.938 251 1HD2 LEU 34 HD21 LEU 34 12.318 -0.074 -6.629 252 2HD2 LEU 34 HD22 LEU 34 13.883 -0.840 -6.366 253 3HD2 LEU 34 HD23 LEU 34 13.421 0.579 -5.412 254 H GLY 35 HN GLY 35 13.571 -4.165 -2.732 255 1HA GLY 35 HA2 GLY 35 14.699 -5.867 -1.494 256 2HA GLY 35 HA1 GLY 35 16.094 -4.804 -1.386 257 H LEU 36 HN LEU 36 12.772 -5.216 -0.303 258 HA LEU 36 HA LEU 36 13.490 -3.634 2.076 259 1HB LEU 36 HB2 LEU 36 11.092 -3.360 2.541 260 2HB LEU 36 HB1 LEU 36 11.482 -2.809 0.935 261 HG LEU 36 HG LEU 36 10.611 -5.030 0.146 262 1HD1 LEU 36 HD11 LEU 36 8.886 -6.124 1.539 263 2HD1 LEU 36 HD12 LEU 36 9.365 -5.101 2.892 264 3HD1 LEU 36 HD13 LEU 36 10.504 -6.273 2.231 265 1HD2 LEU 36 HD21 LEU 36 8.680 -3.176 1.464 266 2HD2 LEU 36 HD22 LEU 36 8.359 -4.233 0.078 267 3HD2 LEU 36 HD23 LEU 36 9.487 -2.878 -0.067 268 H ASP 37 HN ASP 37 12.731 -4.369 4.080 269 HA ASP 37 HA ASP 37 11.562 -6.805 4.764 270 1HB ASP 37 HB2 ASP 37 13.596 -7.866 3.774 271 2HB ASP 37 HB1 ASP 37 14.599 -6.942 4.881 272 H SER 38 HN SER 38 13.838 -4.335 5.367 273 HA SER 38 HA SER 38 14.122 -4.881 8.158 274 1HB SER 38 HB2 SER 38 15.031 -2.452 6.623 275 2HB SER 38 HB1 SER 38 15.577 -2.928 8.238 276 HG SER 38 HG SER 38 16.808 -3.646 6.174 277 H LEU 39 HN LEU 39 13.053 -1.702 6.939 278 HA LEU 39 HA LEU 39 11.184 -1.701 9.211 279 1HB LEU 39 HB2 LEU 39 12.693 0.247 9.124 280 2HB LEU 39 HB1 LEU 39 12.089 0.640 7.520 281 HG LEU 39 HG LEU 39 9.801 0.832 8.546 282 1HD1 LEU 39 HD11 LEU 39 9.647 1.256 10.943 283 2HD1 LEU 39 HD12 LEU 39 11.334 0.776 11.122 284 3HD1 LEU 39 HD13 LEU 39 10.141 -0.395 10.564 285 1HD2 LEU 39 HD21 LEU 39 11.081 2.795 7.931 286 2HD2 LEU 39 HD22 LEU 39 11.893 2.779 9.506 287 3HD2 LEU 39 HD23 LEU 39 10.150 3.067 9.404 288 H MET 40 HN MET 40 11.512 -1.135 5.781 289 HA MET 40 HA MET 40 8.801 -0.504 5.287 290 1HB MET 40 HB2 MET 40 11.006 -1.465 3.485 291 2HB MET 40 HB1 MET 40 9.421 -1.026 2.886 292 1HG MET 40 HG2 MET 40 9.767 1.252 3.800 293 2HG MET 40 HG1 MET 40 11.386 0.766 4.300 294 1HE MET 40 HE1 MET 40 13.315 0.058 2.559 295 2HE MET 40 HE2 MET 40 13.084 0.042 0.811 296 3HE MET 40 HE3 MET 40 12.224 -1.118 1.826 297 H GLY 41 HN GLY 41 10.384 -3.390 5.959 298 1HA GLY 41 HA2 GLY 41 8.368 -5.020 4.640 299 2HA GLY 41 HA1 GLY 41 9.777 -5.616 5.518 300 H VAL 42 HN VAL 42 8.812 -3.485 7.645 301 HA VAL 42 HA VAL 42 6.990 -5.412 8.931 302 HB VAL 42 HB VAL 42 8.759 -3.357 10.267 303 1HG1 VAL 42 HG11 VAL 42 6.820 -3.953 11.605 304 2HG1 VAL 42 HG12 VAL 42 8.286 -4.605 12.339 305 3HG1 VAL 42 HG13 VAL 42 7.205 -5.667 11.437 306 1HG2 VAL 42 HG21 VAL 42 10.189 -5.240 10.973 307 2HG2 VAL 42 HG22 VAL 42 10.183 -4.983 9.233 308 3HG2 VAL 42 HG23 VAL 42 9.247 -6.312 9.930 309 H GLU 43 HN GLU 43 7.617 -1.904 8.562 310 HA GLU 43 HA GLU 43 5.293 -1.190 9.940 311 1HB GLU 43 HB2 GLU 43 7.159 0.397 9.470 312 2HB GLU 43 HB1 GLU 43 6.654 0.440 7.782 313 1HG GLU 43 HG2 GLU 43 4.518 1.377 8.400 314 2HG GLU 43 HG1 GLU 43 4.917 1.233 10.106 315 H VAL 44 HN VAL 44 5.881 -2.133 6.648 316 HA VAL 44 HA VAL 44 3.482 -1.345 5.444 317 HB VAL 44 HB VAL 44 5.529 -2.350 4.267 318 1HG1 VAL 44 HG11 VAL 44 5.957 -4.268 5.555 319 2HG1 VAL 44 HG12 VAL 44 5.653 -4.721 3.877 320 3HG1 VAL 44 HG13 VAL 44 4.405 -4.971 5.099 321 1HG2 VAL 44 HG21 VAL 44 3.481 -1.908 3.060 322 2HG2 VAL 44 HG22 VAL 44 2.855 -3.488 3.570 323 3HG2 VAL 44 HG23 VAL 44 4.244 -3.401 2.483 324 H ARG 45 HN ARG 45 4.319 -4.085 7.395 325 HA ARG 45 HA ARG 45 1.862 -5.456 6.946 326 1HB ARG 45 HB2 ARG 45 4.281 -5.926 8.595 327 2HB ARG 45 HB1 ARG 45 2.906 -6.988 8.751 328 1HG ARG 45 HG2 ARG 45 3.058 -7.408 6.302 329 2HG ARG 45 HG1 ARG 45 4.541 -6.446 6.292 330 1HD ARG 45 HD2 ARG 45 4.057 -8.902 7.945 331 2HD ARG 45 HD1 ARG 45 4.972 -8.851 6.438 332 HE ARG 45 HE ARG 45 6.556 -7.446 7.506 333 1HH1 ARG 45 HH11 ARG 45 4.139 -8.737 9.787 334 2HH1 ARG 45 HH12 ARG 45 5.253 -8.974 11.051 335 1HH2 ARG 45 HH21 ARG 45 8.142 -7.878 9.349 336 2HH2 ARG 45 HH22 ARG 45 7.469 -8.451 10.817 337 H GLN 46 HN GLN 46 3.209 -3.315 9.287 338 HA GLN 46 HA GLN 46 1.189 -3.834 11.232 339 1HB GLN 46 HB2 GLN 46 2.947 -1.376 10.916 340 2HB GLN 46 HB1 GLN 46 2.009 -1.784 12.345 341 1HG GLN 46 HG2 GLN 46 3.379 -3.752 12.705 342 2HG GLN 46 HG1 GLN 46 4.279 -3.411 11.231 343 1HE2 GLN 46 HE21 GLN 46 4.238 -0.474 11.834 344 2HE2 GLN 46 HE22 GLN 46 5.437 -0.268 13.040 345 H ILE 47 HN ILE 47 1.234 -2.265 8.312 346 HA ILE 47 HA ILE 47 -1.239 -0.824 8.882 347 HB ILE 47 HB ILE 47 0.322 -1.001 6.272 348 1HG1 ILE 47 HG12 ILE 47 0.187 1.263 8.266 349 2HG1 ILE 47 HG11 ILE 47 1.555 0.161 8.102 350 1HG2 ILE 47 HG21 ILE 47 -1.953 0.804 7.109 351 2HG2 ILE 47 HG22 ILE 47 -2.054 -0.522 5.950 352 3HG2 ILE 47 HG23 ILE 47 -1.078 0.901 5.579 353 1HD1 ILE 47 HD11 ILE 47 1.912 0.972 5.820 354 2HD1 ILE 47 HD12 ILE 47 1.997 2.280 7.000 355 3HD1 ILE 47 HD13 ILE 47 0.554 2.084 6.004 356 H LEU 48 HN LEU 48 0.072 -3.307 6.676 357 HA LEU 48 HA LEU 48 -2.367 -4.044 5.532 358 1HB LEU 48 HB2 LEU 48 0.129 -5.693 5.847 359 2HB LEU 48 HB1 LEU 48 -1.231 -6.124 4.831 360 HG LEU 48 HG LEU 48 0.568 -3.740 4.479 361 1HD1 LEU 48 HD11 LEU 48 1.634 -5.826 3.881 362 2HD1 LEU 48 HD12 LEU 48 1.280 -4.873 2.442 363 3HD1 LEU 48 HD13 LEU 48 0.264 -6.254 2.859 364 1HD2 LEU 48 HD21 LEU 48 -0.654 -3.366 2.390 365 2HD2 LEU 48 HD22 LEU 48 -1.692 -3.204 3.804 366 3HD2 LEU 48 HD23 LEU 48 -1.774 -4.665 2.814 367 H GLU 49 HN GLU 49 -0.618 -5.762 8.141 368 HA GLU 49 HA GLU 49 -2.599 -7.736 8.425 369 1HB GLU 49 HB2 GLU 49 -0.390 -6.926 10.322 370 2HB GLU 49 HB1 GLU 49 -1.383 -8.358 10.505 371 1HG GLU 49 HG2 GLU 49 -0.488 -9.212 8.358 372 2HG GLU 49 HG1 GLU 49 0.548 -7.790 8.255 373 H ARG 50 HN ARG 50 -1.949 -4.765 10.027 374 HA ARG 50 HA ARG 50 -3.786 -5.173 12.184 375 1HB ARG 50 HB2 ARG 50 -1.766 -3.852 12.413 376 2HB ARG 50 HB1 ARG 50 -2.367 -2.703 11.235 377 1HG ARG 50 HG2 ARG 50 -4.206 -2.139 12.759 378 2HG ARG 50 HG1 ARG 50 -3.527 -3.259 13.946 379 1HD ARG 50 HD2 ARG 50 -1.423 -1.971 13.907 380 2HD ARG 50 HD1 ARG 50 -2.174 -0.824 12.798 381 HE ARG 50 HE ARG 50 -3.882 -0.839 14.822 382 1HH1 ARG 50 HH11 ARG 50 -0.402 -0.194 14.582 383 2HH1 ARG 50 HH12 ARG 50 -0.277 0.594 16.076 384 1HH2 ARG 50 HH21 ARG 50 -3.716 0.222 16.920 385 2HH2 ARG 50 HH22 ARG 50 -2.191 0.751 17.503 386 H GLU 51 HN GLU 51 -3.792 -2.818 9.489 387 HA GLU 51 HA GLU 51 -6.467 -1.941 10.122 388 1HB GLU 51 HB2 GLU 51 -4.704 -1.352 7.791 389 2HB GLU 51 HB1 GLU 51 -6.176 -0.497 8.182 390 1HG GLU 51 HG2 GLU 51 -3.795 -0.557 10.035 391 2HG GLU 51 HG1 GLU 51 -4.119 0.743 8.889 392 H HIS 52 HN HIS 52 -4.906 -3.617 7.439 393 HA HIS 52 HA HIS 52 -7.416 -3.747 5.963 394 1HB HIS 52 HB2 HIS 52 -4.800 -5.118 5.166 395 2HB HIS 52 HB1 HIS 52 -6.236 -4.810 4.201 396 HD1 HIS 52 HD1 HIS 52 -5.557 -3.357 2.393 397 HD2 HIS 52 HD2 HIS 52 -4.016 -2.109 6.050 398 HE1 HIS 52 HE1 HIS 52 -4.227 -1.322 1.899 399 HE2 HIS 52 HE2 HIS 52 -3.671 -0.395 4.132 400 H ASP 53 HN ASP 53 -5.503 -5.729 8.011 401 HA ASP 53 HA ASP 53 -5.723 -7.716 9.003 402 1HB ASP 53 HB2 ASP 53 -8.203 -7.294 9.134 403 2HB ASP 53 HB1 ASP 53 -8.389 -8.040 7.554 404 H LEU 54 HN LEU 54 -4.553 -7.172 6.474 405 HA LEU 54 HA LEU 54 -4.604 -9.784 5.125 406 1HB LEU 54 HB2 LEU 54 -3.810 -7.043 4.242 407 2HB LEU 54 HB1 LEU 54 -3.087 -8.417 3.452 408 HG LEU 54 HG LEU 54 -5.320 -9.148 2.711 409 1HD1 LEU 54 HD11 LEU 54 -7.191 -7.421 2.939 410 2HD1 LEU 54 HD12 LEU 54 -6.214 -6.785 4.299 411 3HD1 LEU 54 HD13 LEU 54 -6.792 -8.422 4.328 412 1HD2 LEU 54 HD21 LEU 54 -4.004 -7.722 1.266 413 2HD2 LEU 54 HD22 LEU 54 -4.669 -6.285 2.042 414 3HD2 LEU 54 HD23 LEU 54 -5.721 -7.344 1.103 415 H VAL 55 HN VAL 55 -3.198 -11.079 6.080 416 HA VAL 55 HA VAL 55 -0.714 -10.052 7.093 417 HB VAL 55 HB VAL 55 -1.573 -12.955 6.803 418 1HG1 VAL 55 HG11 VAL 55 0.170 -13.431 8.460 419 2HG1 VAL 55 HG12 VAL 55 0.643 -11.734 8.446 420 3HG1 VAL 55 HG13 VAL 55 0.842 -12.717 6.994 421 1HG2 VAL 55 HG21 VAL 55 -2.109 -12.855 9.197 422 2HG2 VAL 55 HG22 VAL 55 -3.096 -11.727 8.264 423 3HG2 VAL 55 HG23 VAL 55 -1.730 -11.133 9.206 424 H LEU 56 HN LEU 56 0.132 -9.163 5.268 425 HA LEU 56 HA LEU 56 1.091 -11.067 3.249 426 1HB LEU 56 HB2 LEU 56 0.855 -8.084 3.048 427 2HB LEU 56 HB1 LEU 56 1.389 -9.148 1.774 428 HG LEU 56 HG LEU 56 -1.413 -9.081 2.911 429 1HD1 LEU 56 HD11 LEU 56 -0.900 -7.122 1.572 430 2HD1 LEU 56 HD12 LEU 56 -2.034 -8.182 0.737 431 3HD1 LEU 56 HD13 LEU 56 -0.335 -8.154 0.259 432 1HD2 LEU 56 HD21 LEU 56 -0.253 -10.671 0.624 433 2HD2 LEU 56 HD22 LEU 56 -1.959 -10.606 1.077 434 3HD2 LEU 56 HD23 LEU 56 -0.779 -11.319 2.179 435 HA PRO 57 HA PRO 57 4.852 -10.027 5.523 436 1HB PRO 57 HB2 PRO 57 5.767 -12.551 4.372 437 2HB PRO 57 HB1 PRO 57 5.584 -12.123 6.080 438 1HG PRO 57 HG2 PRO 57 3.967 -13.909 4.890 439 2HG PRO 57 HG1 PRO 57 3.350 -12.781 6.116 440 1HD PRO 57 HD2 PRO 57 3.220 -12.598 3.130 441 2HD PRO 57 HD1 PRO 57 1.925 -12.364 4.331 442 H ILE 58 HN ILE 58 7.290 -10.644 4.604 443 HA ILE 58 HA ILE 58 7.731 -8.863 2.486 444 HB ILE 58 HB ILE 58 9.465 -10.825 3.976 445 1HG1 ILE 58 HG12 ILE 58 10.789 -8.761 4.498 446 2HG1 ILE 58 HG11 ILE 58 9.586 -7.840 3.611 447 1HG2 ILE 58 HG21 ILE 58 10.471 -9.319 1.585 448 2HG2 ILE 58 HG22 ILE 58 10.331 -11.069 1.752 449 3HG2 ILE 58 HG23 ILE 58 11.473 -10.174 2.757 450 1HD1 ILE 58 HD11 ILE 58 9.101 -9.458 6.100 451 2HD1 ILE 58 HD12 ILE 58 7.888 -8.527 5.220 452 3HD1 ILE 58 HD13 ILE 58 9.235 -7.704 6.007 453 H ARG 59 HN ARG 59 7.095 -12.181 2.576 454 HA ARG 59 HA ARG 59 8.040 -12.964 0.023 455 1HB ARG 59 HB2 ARG 59 5.758 -14.220 1.574 456 2HB ARG 59 HB1 ARG 59 6.606 -14.949 0.227 457 1HG ARG 59 HG2 ARG 59 7.601 -16.025 1.994 458 2HG ARG 59 HG1 ARG 59 8.702 -14.663 1.796 459 1HD ARG 59 HD2 ARG 59 7.427 -13.461 3.580 460 2HD ARG 59 HD1 ARG 59 6.463 -14.917 3.807 461 HE ARG 59 HE ARG 59 9.372 -14.934 4.156 462 1HH1 ARG 59 HH11 ARG 59 6.123 -15.614 5.465 463 2HH1 ARG 59 HH12 ARG 59 6.717 -16.185 6.956 464 1HH2 ARG 59 HH21 ARG 59 10.147 -15.751 6.202 465 2HH2 ARG 59 HH22 ARG 59 9.033 -16.198 7.395 466 H GLU 60 HN GLU 60 5.270 -11.172 0.998 467 HA GLU 60 HA GLU 60 4.019 -11.521 -1.635 468 1HB GLU 60 HB2 GLU 60 2.922 -10.364 0.928 469 2HB GLU 60 HB1 GLU 60 2.056 -10.406 -0.597 470 1HG GLU 60 HG2 GLU 60 2.980 -12.799 0.976 471 2HG GLU 60 HG1 GLU 60 1.332 -12.179 0.897 472 H VAL 61 HN VAL 61 4.957 -9.059 0.727 473 HA VAL 61 HA VAL 61 4.234 -6.820 -0.763 474 HB VAL 61 HB VAL 61 6.376 -7.001 1.381 475 1HG1 VAL 61 HG11 VAL 61 5.956 -4.610 1.749 476 2HG1 VAL 61 HG12 VAL 61 4.839 -4.596 0.385 477 3HG1 VAL 61 HG13 VAL 61 6.553 -4.914 0.119 478 1HG2 VAL 61 HG21 VAL 61 3.439 -6.364 1.584 479 2HG2 VAL 61 HG22 VAL 61 4.599 -6.268 2.907 480 3HG2 VAL 61 HG23 VAL 61 4.239 -7.825 2.160 481 H ARG 62 HN ARG 62 7.109 -8.752 -0.953 482 HA ARG 62 HA ARG 62 8.635 -6.808 -2.242 483 1HB ARG 62 HB2 ARG 62 8.982 -9.719 -1.840 484 2HB ARG 62 HB1 ARG 62 9.988 -8.959 -3.050 485 1HG ARG 62 HG2 ARG 62 10.659 -7.294 -1.287 486 2HG ARG 62 HG1 ARG 62 9.829 -8.327 -0.120 487 1HD ARG 62 HD2 ARG 62 11.279 -10.169 -0.624 488 2HD ARG 62 HD1 ARG 62 12.016 -9.286 -1.959 489 HE ARG 62 HE ARG 62 12.250 -8.123 0.710 490 1HH1 ARG 62 HH11 ARG 62 13.847 -10.126 -1.747 491 2HH1 ARG 62 HH12 ARG 62 15.414 -9.666 -1.298 492 1HH2 ARG 62 HH21 ARG 62 14.371 -7.579 1.384 493 2HH2 ARG 62 HH22 ARG 62 15.742 -8.198 0.569 494 H GLN 63 HN GLN 63 6.123 -8.810 -3.588 495 HA GLN 63 HA GLN 63 7.201 -8.326 -6.276 496 1HB GLN 63 HB2 GLN 63 4.710 -9.877 -5.539 497 2HB GLN 63 HB1 GLN 63 5.281 -9.614 -7.167 498 1HG GLN 63 HG2 GLN 63 5.973 -11.771 -6.682 499 2HG GLN 63 HG1 GLN 63 7.418 -10.793 -6.454 500 1HE2 GLN 63 HE21 GLN 63 4.745 -10.962 -4.207 501 2HE2 GLN 63 HE22 GLN 63 5.618 -11.795 -2.973 502 H LEU 64 HN LEU 64 5.505 -6.713 -4.124 503 HA LEU 64 HA LEU 64 3.527 -5.561 -5.864 504 1HB LEU 64 HB2 LEU 64 4.631 -4.392 -3.301 505 2HB LEU 64 HB1 LEU 64 3.150 -3.949 -4.105 506 HG LEU 64 HG LEU 64 3.682 -6.566 -2.706 507 1HD1 LEU 64 HD11 LEU 64 1.967 -5.815 -1.141 508 2HD1 LEU 64 HD12 LEU 64 1.879 -4.268 -1.986 509 3HD1 LEU 64 HD13 LEU 64 3.367 -4.743 -1.166 510 1HD2 LEU 64 HD21 LEU 64 1.327 -7.078 -3.131 511 2HD2 LEU 64 HD22 LEU 64 2.229 -6.901 -4.639 512 3HD2 LEU 64 HD23 LEU 64 1.174 -5.601 -4.085 513 H THR 65 HN THR 65 3.731 -3.585 -6.948 514 HA THR 65 HA THR 65 6.460 -2.676 -7.229 515 HB THR 65 HB THR 65 5.505 -1.615 -9.318 516 HG1 THR 65 HG1 THR 65 3.426 -3.149 -9.669 517 1HG2 THR 65 HG21 THR 65 6.719 -3.736 -9.363 518 2HG2 THR 65 HG22 THR 65 5.386 -3.757 -10.529 519 3HG2 THR 65 HG23 THR 65 5.228 -4.593 -8.979 520 H LEU 66 HN LEU 66 6.632 -0.302 -7.523 521 HA LEU 66 HA LEU 66 5.945 0.954 -5.201 522 1HB LEU 66 HB2 LEU 66 7.777 1.646 -6.745 523 2HB LEU 66 HB1 LEU 66 6.589 2.296 -7.840 524 HG LEU 66 HG LEU 66 7.920 3.944 -6.438 525 1HD1 LEU 66 HD11 LEU 66 6.039 5.421 -6.035 526 2HD1 LEU 66 HD12 LEU 66 4.936 4.050 -6.216 527 3HD1 LEU 66 HD13 LEU 66 5.907 4.588 -7.589 528 1HD2 LEU 66 HD21 LEU 66 6.079 2.957 -4.290 529 2HD2 LEU 66 HD22 LEU 66 7.150 4.350 -4.172 530 3HD2 LEU 66 HD23 LEU 66 7.831 2.721 -4.324 531 H ARG 67 HN ARG 67 4.217 1.371 -8.295 532 HA ARG 67 HA ARG 67 2.268 2.933 -6.812 533 1HB ARG 67 HB2 ARG 67 2.525 2.474 -9.770 534 2HB ARG 67 HB1 ARG 67 1.138 3.274 -9.048 535 1HG ARG 67 HG2 ARG 67 4.006 4.197 -8.934 536 2HG ARG 67 HG1 ARG 67 2.711 4.898 -9.901 537 1HD ARG 67 HD2 ARG 67 1.509 5.295 -7.635 538 2HD ARG 67 HD1 ARG 67 3.076 4.927 -6.920 539 HE ARG 67 HE ARG 67 3.827 6.795 -8.631 540 1HH1 ARG 67 HH11 ARG 67 1.155 7.002 -6.256 541 2HH1 ARG 67 HH12 ARG 67 1.125 8.680 -6.323 542 1HH2 ARG 67 HH21 ARG 67 3.681 9.006 -8.757 543 2HH2 ARG 67 HH22 ARG 67 2.609 9.885 -7.772 544 H LYS 68 HN LYS 68 2.618 -0.219 -6.986 545 HA LYS 68 HA LYS 68 -0.167 -0.837 -7.485 546 1HB LYS 68 HB2 LYS 68 1.594 -2.525 -8.038 547 2HB LYS 68 HB1 LYS 68 1.994 -2.609 -6.322 548 1HG LYS 68 HG2 LYS 68 -0.241 -3.427 -5.826 549 2HG LYS 68 HG1 LYS 68 -0.659 -3.342 -7.533 550 1HD LYS 68 HD2 LYS 68 1.040 -5.014 -8.039 551 2HD LYS 68 HD1 LYS 68 1.495 -5.073 -6.328 552 1HE LYS 68 HE2 LYS 68 -0.740 -5.811 -5.741 553 2HE LYS 68 HE1 LYS 68 -1.236 -5.717 -7.424 554 1HZ LYS 68 HZ1 LYS 68 -0.783 -7.937 -6.764 555 2HZ LYS 68 HZ2 LYS 68 0.786 -7.634 -6.313 556 3HZ LYS 68 HZ3 LYS 68 0.326 -7.522 -7.940 557 H LEU 69 HN LEU 69 1.963 -0.078 -4.910 558 HA LEU 69 HA LEU 69 0.586 -1.066 -2.693 559 1HB LEU 69 HB2 LEU 69 2.383 1.305 -3.022 560 2HB LEU 69 HB1 LEU 69 1.533 1.088 -1.515 561 HG LEU 69 HG LEU 69 3.774 0.280 -1.294 562 1HD1 LEU 69 HD11 LEU 69 1.852 -2.021 -1.417 563 2HD1 LEU 69 HD12 LEU 69 2.112 -0.923 -0.061 564 3HD1 LEU 69 HD13 LEU 69 3.401 -2.011 -0.573 565 1HD2 LEU 69 HD21 LEU 69 4.652 -1.591 -2.600 566 2HD2 LEU 69 HD22 LEU 69 4.291 -0.195 -3.615 567 3HD2 LEU 69 HD23 LEU 69 3.193 -1.575 -3.593 568 H GLN 70 HN GLN 70 0.009 1.862 -4.479 569 HA GLN 70 HA GLN 70 -2.052 2.725 -2.634 570 1HB GLN 70 HB2 GLN 70 -2.277 4.665 -4.129 571 2HB GLN 70 HB1 GLN 70 -0.651 4.419 -3.501 572 1HG GLN 70 HG2 GLN 70 0.123 3.590 -5.522 573 2HG GLN 70 HG1 GLN 70 -1.509 3.528 -6.258 574 1HE2 GLN 70 HE21 GLN 70 -1.035 4.887 -7.928 575 2HE2 GLN 70 HE22 GLN 70 -0.646 6.541 -7.740 576 H GLU 71 HN GLU 71 -2.089 0.411 -4.834 577 HA GLU 71 HA GLU 71 -4.795 1.037 -5.816 578 1HB GLU 71 HB2 GLU 71 -2.926 0.371 -7.446 579 2HB GLU 71 HB1 GLU 71 -2.935 -1.204 -6.670 580 1HG GLU 71 HG2 GLU 71 -5.415 -1.276 -7.284 581 2HG GLU 71 HG1 GLU 71 -5.044 0.069 -8.362 582 H MET 72 HN MET 72 -3.270 -0.223 -3.365 583 HA MET 72 HA MET 72 -5.447 -1.959 -2.598 584 1HB MET 72 HB2 MET 72 -3.856 -3.711 -1.805 585 2HB MET 72 HB1 MET 72 -3.847 -3.539 -3.550 586 1HG MET 72 HG2 MET 72 -1.778 -2.198 -3.368 587 2HG MET 72 HG1 MET 72 -1.766 -2.488 -1.631 588 1HE MET 72 HE1 MET 72 -1.495 -4.919 -0.549 589 2HE MET 72 HE2 MET 72 -1.319 -6.395 -1.496 590 3HE MET 72 HE3 MET 72 -2.845 -5.506 -1.521 591 H SER 73 HN SER 73 -4.642 0.706 -2.023 592 HA SER 73 HA SER 73 -3.231 0.629 0.473 593 1HB SER 73 HB2 SER 73 -3.427 3.123 0.269 594 2HB SER 73 HB1 SER 73 -2.549 2.321 -1.034 595 HG SER 73 HG SER 73 -4.089 3.937 -1.679 596 H SER 74 HN SER 74 -6.265 0.174 -0.558 597 HA SER 74 HA SER 74 -8.125 -0.374 0.640 598 1HB SER 74 HB2 SER 74 -6.760 -0.728 2.673 599 2HB SER 74 HB1 SER 74 -6.797 0.995 3.007 600 HG SER 74 HG SER 74 -9.291 0.025 2.714 601 H LYS 75 HN LYS 75 -7.201 2.446 -0.476 602 HA LYS 75 HA LYS 75 -9.850 3.541 -0.180 603 1HB LYS 75 HB2 LYS 75 -9.157 5.699 0.627 604 2HB LYS 75 HB1 LYS 75 -8.611 4.476 1.762 605 1HG LYS 75 HG2 LYS 75 -6.348 4.660 0.955 606 2HG LYS 75 HG1 LYS 75 -6.859 5.756 -0.333 607 1HD LYS 75 HD2 LYS 75 -7.648 7.341 1.422 608 2HD LYS 75 HD1 LYS 75 -6.949 6.269 2.637 609 1HE LYS 75 HE2 LYS 75 -4.742 6.571 1.647 610 2HE LYS 75 HE1 LYS 75 -5.429 7.609 0.402 611 1HZ LYS 75 HZ1 LYS 75 -6.095 9.174 2.140 612 2HZ LYS 75 HZ2 LYS 75 -4.428 8.927 2.181 613 3HZ LYS 75 HZ3 LYS 75 -5.419 8.179 3.319 614 H ALA 76 HN ALA 76 -10.042 5.481 -1.527 615 HA ALA 76 HA ALA 76 -8.309 5.383 -3.877 616 1HB ALA 76 HB1 ALA 76 -10.035 6.840 -4.912 617 2HB ALA 76 HB2 ALA 76 -10.932 6.833 -3.393 618 3HB ALA 76 HB3 ALA 76 -10.735 5.337 -4.308 619 H GLY 77 HN GLY 77 -9.487 7.341 -1.245 620 1HA GLY 77 HA2 GLY 77 -8.681 9.190 -0.200 621 2HA GLY 77 HA1 GLY 77 -7.115 8.754 -0.866 622 H SER 78 HN SER 78 -6.446 10.717 -1.388 623 HA SER 78 HA SER 78 -8.092 12.489 -2.955 624 1HB SER 78 HB2 SER 78 -5.242 12.757 -2.000 625 2HB SER 78 HB1 SER 78 -6.214 14.038 -2.731 626 HG SER 78 HG SER 78 -7.678 13.040 -0.797 627 H ASP 79 HN ASP 79 -6.926 9.821 -4.020 628 HA ASP 79 HA ASP 79 -5.304 10.739 -6.236 629 1HB ASP 79 HB2 ASP 79 -4.959 8.462 -5.399 630 2HB ASP 79 HB1 ASP 79 -6.637 8.063 -5.764 631 H THR 80 HN THR 80 -8.495 9.390 -5.792 632 HA THR 80 HA THR 80 -9.347 10.800 -8.195 633 HB THR 80 HB THR 80 -10.461 8.191 -7.095 634 HG1 THR 80 HG1 THR 80 -8.252 8.315 -8.248 635 1HG2 THR 80 HG21 THR 80 -11.036 9.677 -9.678 636 2HG2 THR 80 HG22 THR 80 -12.131 9.550 -8.299 637 3HG2 THR 80 HG23 THR 80 -11.708 8.109 -9.227 638 H GLU 81 HN GLU 81 -10.107 12.574 -7.288 639 HA GLU 81 HA GLU 81 -11.358 12.710 -4.736 640 1HB GLU 81 HB2 GLU 81 -11.001 14.711 -6.955 641 2HB GLU 81 HB1 GLU 81 -11.737 15.098 -5.406 642 1HG GLU 81 HG2 GLU 81 -8.977 13.951 -5.672 643 2HG GLU 81 HG1 GLU 81 -9.314 15.684 -5.655 644 H LEU 82 HN LEU 82 -12.487 12.666 -8.035 645 HA LEU 82 HA LEU 82 -15.185 13.294 -7.258 646 1HB LEU 82 HB2 LEU 82 -14.351 14.035 -9.433 647 2HB LEU 82 HB1 LEU 82 -14.081 12.370 -9.913 648 HG LEU 82 HG LEU 82 -16.525 11.966 -9.789 649 1HD1 LEU 82 HD11 LEU 82 -16.699 14.935 -9.302 650 2HD1 LEU 82 HD12 LEU 82 -17.133 13.658 -8.165 651 3HD1 LEU 82 HD13 LEU 82 -18.057 13.865 -9.654 652 1HD2 LEU 82 HD21 LEU 82 -15.478 12.528 -11.916 653 2HD2 LEU 82 HD22 LEU 82 -15.698 14.247 -11.582 654 3HD2 LEU 82 HD23 LEU 82 -17.102 13.208 -11.820 655 H ALA 83 HN ALA 83 -16.195 11.836 -6.125 656 HA ALA 83 HA ALA 83 -15.869 9.003 -6.682 657 1HB ALA 83 HB1 ALA 83 -17.541 10.426 -4.598 658 2HB ALA 83 HB2 ALA 83 -15.942 9.732 -4.339 659 3HB ALA 83 HB3 ALA 83 -17.306 8.682 -4.709 660 H ALA 84 HN ALA 84 -17.120 7.998 -8.050 661 HA ALA 84 HA ALA 84 -18.786 7.332 -9.351 662 1HB ALA 84 HB1 ALA 84 -20.595 9.270 -7.905 663 2HB ALA 84 HB2 ALA 84 -20.294 7.605 -7.414 664 3HB ALA 84 HB3 ALA 84 -21.104 7.940 -8.946 665 HA PRO 85 HA PRO 85 -18.139 10.227 -12.603 666 1HB PRO 85 HB2 PRO 85 -19.304 8.721 -14.571 667 2HB PRO 85 HB1 PRO 85 -17.665 8.441 -13.968 668 1HG PRO 85 HG2 PRO 85 -20.212 7.038 -13.264 669 2HG PRO 85 HG1 PRO 85 -18.602 6.355 -13.563 670 1HD PRO 85 HD2 PRO 85 -19.562 6.709 -11.071 671 2HD PRO 85 HD1 PRO 85 -17.839 6.901 -11.453 672 H LYS 86 HN LYS 86 -19.327 11.695 -13.743 673 HA LYS 86 HA LYS 86 -22.044 12.152 -12.892 674 1HB LYS 86 HB2 LYS 86 -20.238 13.601 -14.851 675 2HB LYS 86 HB1 LYS 86 -21.828 14.163 -14.357 676 1HG LYS 86 HG2 LYS 86 -21.092 14.535 -12.121 677 2HG LYS 86 HG1 LYS 86 -19.560 13.718 -12.427 678 1HD LYS 86 HD2 LYS 86 -20.436 16.224 -13.859 679 2HD LYS 86 HD1 LYS 86 -19.439 16.228 -12.401 680 1HE LYS 86 HE2 LYS 86 -17.728 14.935 -13.532 681 2HE LYS 86 HE1 LYS 86 -18.735 14.813 -14.971 682 1HZ LYS 86 HZ1 LYS 86 -17.770 17.414 -13.884 683 2HZ LYS 86 HZ2 LYS 86 -18.473 17.108 -15.395 684 3HZ LYS 86 HZ3 LYS 86 -16.937 16.501 -15.031 685 H SER 87 HN SER 87 -20.261 11.206 -15.727 686 HA SER 87 HA SER 87 -22.538 9.803 -16.772 687 1HB SER 87 HB2 SER 87 -20.998 11.852 -18.409 688 2HB SER 87 HB1 SER 87 -22.225 10.748 -19.042 689 HG SER 87 HG SER 87 -23.235 11.959 -16.946 690 H LYS 88 HN LYS 88 -21.834 7.868 -17.350 691 HA LYS 88 HA LYS 88 -19.157 7.117 -16.941 692 1HB LYS 88 HB2 LYS 88 -21.356 5.599 -18.326 693 2HB LYS 88 HB1 LYS 88 -19.808 4.919 -17.856 694 1HG LYS 88 HG2 LYS 88 -20.325 5.430 -15.503 695 2HG LYS 88 HG1 LYS 88 -21.907 6.029 -16.007 696 1HD LYS 88 HD2 LYS 88 -22.094 3.744 -15.219 697 2HD LYS 88 HD1 LYS 88 -22.422 3.818 -16.951 698 1HE LYS 88 HE2 LYS 88 -20.119 3.093 -17.399 699 2HE LYS 88 HE1 LYS 88 -19.822 2.992 -15.665 700 1HZ LYS 88 HZ1 LYS 88 -21.796 1.349 -17.188 701 2HZ LYS 88 HZ2 LYS 88 -21.507 1.247 -15.519 702 3HZ LYS 88 HZ3 LYS 88 -20.294 0.852 -16.616 703 H ASN 89 HN ASN 89 -20.857 7.965 -19.887 704 HA ASN 89 HA ASN 89 -18.472 7.252 -21.400 705 1HB ASN 89 HB2 ASN 89 -20.599 6.528 -22.376 706 2HB ASN 89 HB1 ASN 89 -21.184 8.187 -22.364 707 1HD2 ASN 89 HD21 ASN 89 -17.848 7.327 -23.260 708 2HD2 ASN 89 HD22 ASN 89 -18.041 7.761 -24.908 Start of MODEL 19 1 1H GLY 1 HT1 GLY 1 -7.963 16.392 2.800 2 2H GLY 1 HT2 GLY 1 -6.755 15.647 3.733 3 3H GLY 1 HT3 GLY 1 -7.384 17.137 4.208 4 1HA GLY 1 HA1 GLY 1 -9.484 16.181 4.706 5 2HA GLY 1 HA2 GLY 1 -8.906 14.619 4.117 6 H ASP 2 HN ASP 2 -9.858 14.865 6.670 7 HA ASP 2 HA ASP 2 -7.574 15.203 8.454 8 1HB ASP 2 HB2 ASP 2 -10.377 14.251 9.146 9 2HB ASP 2 HB1 ASP 2 -9.128 14.725 10.284 10 H GLY 3 HN GLY 3 -10.038 12.666 8.413 11 1HA GLY 3 HA2 GLY 3 -7.874 10.689 8.512 12 2HA GLY 3 HA1 GLY 3 -9.467 10.485 9.243 13 H GLU 4 HN GLU 4 -7.639 9.649 6.685 14 HA GLU 4 HA GLU 4 -9.807 9.656 4.730 15 1HB GLU 4 HB2 GLU 4 -6.947 8.702 4.453 16 2HB GLU 4 HB1 GLU 4 -8.111 8.906 3.153 17 1HG GLU 4 HG2 GLU 4 -8.159 11.324 3.611 18 2HG GLU 4 HG1 GLU 4 -6.925 11.091 4.848 19 H ALA 5 HN ALA 5 -9.881 7.472 3.439 20 HA ALA 5 HA ALA 5 -10.435 5.395 5.334 21 1HB ALA 5 HB1 ALA 5 -11.003 4.053 3.334 22 2HB ALA 5 HB2 ALA 5 -10.376 5.337 2.303 23 3HB ALA 5 HB3 ALA 5 -11.802 5.625 3.302 24 H GLN 6 HN GLN 6 -8.636 4.752 6.345 25 HA GLN 6 HA GLN 6 -6.659 3.759 6.791 26 1HB GLN 6 HB2 GLN 6 -7.383 2.028 5.110 27 2HB GLN 6 HB1 GLN 6 -6.630 2.980 3.848 28 1HG GLN 6 HG2 GLN 6 -4.459 2.654 5.168 29 2HG GLN 6 HG1 GLN 6 -5.343 1.392 6.036 30 1HE2 GLN 6 HE21 GLN 6 -4.140 -0.326 5.197 31 2HE2 GLN 6 HE22 GLN 6 -4.285 -0.765 3.519 32 H ARG 7 HN ARG 7 -5.726 4.344 3.525 33 HA ARG 7 HA ARG 7 -4.967 6.798 3.061 34 1HB ARG 7 HB2 ARG 7 -2.652 7.126 3.736 35 2HB ARG 7 HB1 ARG 7 -3.532 6.733 5.200 36 1HG ARG 7 HG2 ARG 7 -2.668 4.449 5.113 37 2HG ARG 7 HG1 ARG 7 -1.813 4.825 3.614 38 1HD ARG 7 HD2 ARG 7 -0.241 4.988 5.414 39 2HD ARG 7 HD1 ARG 7 -0.592 6.621 4.852 40 HE ARG 7 HE ARG 7 -1.887 5.421 7.192 41 1HH1 ARG 7 HH11 ARG 7 -0.222 8.249 5.704 42 2HH1 ARG 7 HH12 ARG 7 -0.267 9.150 7.126 43 1HH2 ARG 7 HH21 ARG 7 -1.940 6.752 9.102 44 2HH2 ARG 7 HH22 ARG 7 -1.342 8.360 9.048 45 H ASP 8 HN ASP 8 -2.887 6.612 1.492 46 HA ASP 8 HA ASP 8 -3.212 4.049 0.092 47 1HB ASP 8 HB2 ASP 8 -1.380 6.374 -0.581 48 2HB ASP 8 HB1 ASP 8 -1.582 4.924 -1.545 49 H LEU 9 HN LEU 9 -1.697 2.425 0.214 50 HA LEU 9 HA LEU 9 0.279 2.501 2.171 51 1HB LEU 9 HB2 LEU 9 0.194 0.790 -0.297 52 2HB LEU 9 HB1 LEU 9 1.346 0.570 1.005 53 HG LEU 9 HG LEU 9 -1.636 0.235 1.149 54 1HD1 LEU 9 HD11 LEU 9 0.653 -1.707 1.399 55 2HD1 LEU 9 HD12 LEU 9 -0.459 -1.575 0.034 56 3HD1 LEU 9 HD13 LEU 9 -1.054 -2.099 1.610 57 1HD2 LEU 9 HD21 LEU 9 0.441 -0.047 3.318 58 2HD2 LEU 9 HD22 LEU 9 -1.266 -0.473 3.464 59 3HD2 LEU 9 HD23 LEU 9 -0.790 1.209 3.218 60 H VAL 10 HN VAL 10 0.365 3.613 -1.078 61 HA VAL 10 HA VAL 10 3.137 4.003 -1.365 62 HB VAL 10 HB VAL 10 0.820 5.573 -2.562 63 1HG1 VAL 10 HG11 VAL 10 3.740 5.641 -3.362 64 2HG1 VAL 10 HG12 VAL 10 2.857 6.955 -2.589 65 3HG1 VAL 10 HG13 VAL 10 2.414 6.431 -4.214 66 1HG2 VAL 10 HG21 VAL 10 2.586 3.405 -3.656 67 2HG2 VAL 10 HG22 VAL 10 1.369 4.290 -4.569 68 3HG2 VAL 10 HG23 VAL 10 0.884 3.262 -3.210 69 H LYS 11 HN LYS 11 0.683 5.821 0.339 70 HA LYS 11 HA LYS 11 2.265 8.159 0.706 71 1HB LYS 11 HB2 LYS 11 -0.168 7.203 2.224 72 2HB LYS 11 HB1 LYS 11 0.584 8.780 2.369 73 1HG LYS 11 HG2 LYS 11 -0.777 7.679 -0.087 74 2HG LYS 11 HG1 LYS 11 -1.416 8.906 1.007 75 1HD LYS 11 HD2 LYS 11 0.642 10.270 0.440 76 2HD LYS 11 HD1 LYS 11 0.938 9.108 -0.850 77 1HE LYS 11 HE2 LYS 11 -1.484 10.893 -0.536 78 2HE LYS 11 HE1 LYS 11 -0.177 11.005 -1.720 79 1HZ LYS 11 HZ1 LYS 11 -0.895 8.993 -2.747 80 2HZ LYS 11 HZ2 LYS 11 -2.205 10.050 -2.622 81 3HZ LYS 11 HZ3 LYS 11 -2.130 8.735 -1.614 82 H ALA 12 HN ALA 12 2.466 5.100 2.010 83 HA ALA 12 HA ALA 12 3.858 6.127 4.386 84 1HB ALA 12 HB1 ALA 12 2.606 3.408 3.996 85 2HB ALA 12 HB2 ALA 12 1.923 4.729 4.945 86 3HB ALA 12 HB3 ALA 12 3.439 3.969 5.447 87 H VAL 13 HN VAL 13 3.909 3.415 2.056 88 HA VAL 13 HA VAL 13 6.507 2.545 2.696 89 HB VAL 13 HB VAL 13 4.892 2.108 0.171 90 1HG1 VAL 13 HG11 VAL 13 7.302 0.609 1.198 91 2HG1 VAL 13 HG12 VAL 13 7.235 1.667 -0.216 92 3HG1 VAL 13 HG13 VAL 13 6.322 0.158 -0.204 93 1HG2 VAL 13 HG21 VAL 13 5.178 0.403 2.642 94 2HG2 VAL 13 HG22 VAL 13 4.307 -0.051 1.175 95 3HG2 VAL 13 HG23 VAL 13 3.741 1.304 2.151 96 H ALA 14 HN ALA 14 5.267 4.571 0.057 97 HA ALA 14 HA ALA 14 7.838 4.925 -1.083 98 1HB ALA 14 HB1 ALA 14 6.726 6.605 -2.534 99 2HB ALA 14 HB2 ALA 14 5.300 6.540 -1.492 100 3HB ALA 14 HB3 ALA 14 5.749 5.138 -2.424 101 H HIS 15 HN HIS 15 5.979 6.461 1.359 102 HA HIS 15 HA HIS 15 7.372 8.943 1.501 103 1HB HIS 15 HB2 HIS 15 5.065 8.363 2.483 104 2HB HIS 15 HB1 HIS 15 5.935 7.592 3.797 105 HD1 HIS 15 HD1 HIS 15 4.279 10.639 3.054 106 HD2 HIS 15 HD2 HIS 15 7.820 9.697 5.023 107 HE1 HIS 15 HE1 HIS 15 4.792 12.603 4.489 108 HE2 HIS 15 HE2 HIS 15 6.924 12.022 5.693 109 H ILE 16 HN ILE 16 7.872 5.771 2.907 110 HA ILE 16 HA ILE 16 9.880 6.334 4.787 111 HB ILE 16 HB ILE 16 9.406 3.847 3.104 112 1HG1 ILE 16 HG12 ILE 16 7.586 4.317 4.640 113 2HG1 ILE 16 HG11 ILE 16 8.460 2.890 5.171 114 1HG2 ILE 16 HG21 ILE 16 10.822 2.573 4.640 115 2HG2 ILE 16 HG22 ILE 16 11.296 4.071 5.446 116 3HG2 ILE 16 HG23 ILE 16 11.725 3.801 3.757 117 1HD1 ILE 16 HD11 ILE 16 9.603 4.218 6.875 118 2HD1 ILE 16 HD12 ILE 16 7.848 4.317 7.050 119 3HD1 ILE 16 HD13 ILE 16 8.743 5.657 6.332 120 H LEU 17 HN LEU 17 9.964 5.990 1.344 121 HA LEU 17 HA LEU 17 12.876 6.029 1.193 122 1HB LEU 17 HB2 LEU 17 10.859 6.127 -1.040 123 2HB LEU 17 HB1 LEU 17 12.558 5.727 -1.167 124 HG LEU 17 HG LEU 17 10.435 4.057 0.167 125 1HD1 LEU 17 HD11 LEU 17 11.952 3.658 -2.394 126 2HD1 LEU 17 HD12 LEU 17 10.237 4.042 -2.227 127 3HD1 LEU 17 HD13 LEU 17 10.856 2.492 -1.655 128 1HD2 LEU 17 HD21 LEU 17 13.371 3.476 -0.243 129 2HD2 LEU 17 HD22 LEU 17 12.176 2.347 0.393 130 3HD2 LEU 17 HD23 LEU 17 12.585 3.804 1.300 131 H GLY 18 HN GLY 18 10.096 8.035 0.501 132 1HA GLY 18 HA2 GLY 18 10.340 10.432 0.955 133 2HA GLY 18 HA1 GLY 18 11.902 10.339 0.142 134 H ILE 19 HN ILE 19 8.960 8.753 -0.925 135 HA ILE 19 HA ILE 19 8.741 10.631 -3.113 136 HB ILE 19 HB ILE 19 8.019 8.461 -4.413 137 1HG1 ILE 19 HG12 ILE 19 10.087 7.394 -2.486 138 2HG1 ILE 19 HG11 ILE 19 8.419 6.865 -2.646 139 1HG2 ILE 19 HG21 ILE 19 10.276 8.391 -5.460 140 2HG2 ILE 19 HG22 ILE 19 10.880 9.368 -4.121 141 3HG2 ILE 19 HG23 ILE 19 9.648 10.020 -5.212 142 1HD1 ILE 19 HD11 ILE 19 8.920 6.002 -4.880 143 2HD1 ILE 19 HD12 ILE 19 9.947 5.272 -3.646 144 3HD1 ILE 19 HD13 ILE 19 10.594 6.531 -4.702 145 H ARG 20 HN ARG 20 6.743 10.723 -4.071 146 HA ARG 20 HA ARG 20 4.465 9.258 -3.030 147 1HB ARG 20 HB2 ARG 20 4.761 11.114 -1.390 148 2HB ARG 20 HB1 ARG 20 4.611 12.249 -2.733 149 1HG ARG 20 HG2 ARG 20 2.351 11.264 -3.186 150 2HG ARG 20 HG1 ARG 20 2.509 10.391 -1.658 151 1HD ARG 20 HD2 ARG 20 1.251 12.413 -1.318 152 2HD ARG 20 HD1 ARG 20 2.813 12.546 -0.507 153 HE ARG 20 HE ARG 20 3.121 13.625 -3.051 154 1HH1 ARG 20 HH11 ARG 20 1.200 14.402 -0.168 155 2HH1 ARG 20 HH12 ARG 20 1.204 16.068 -0.513 156 1HH2 ARG 20 HH21 ARG 20 3.135 15.801 -3.457 157 2HH2 ARG 20 HH22 ARG 20 2.387 16.913 -2.397 158 H ASP 21 HN ASP 21 5.630 12.051 -4.822 159 HA ASP 21 HA ASP 21 3.515 11.812 -6.839 160 1HB ASP 21 HB2 ASP 21 5.680 13.870 -6.408 161 2HB ASP 21 HB1 ASP 21 4.546 13.885 -7.756 162 H LEU 22 HN LEU 22 6.704 10.950 -6.335 163 HA LEU 22 HA LEU 22 8.156 9.757 -7.558 164 1HB LEU 22 HB2 LEU 22 5.655 8.969 -9.061 165 2HB LEU 22 HB1 LEU 22 7.228 8.311 -9.437 166 HG LEU 22 HG LEU 22 6.054 6.708 -8.166 167 1HD1 LEU 22 HD11 LEU 22 7.483 6.415 -6.228 168 2HD1 LEU 22 HD12 LEU 22 8.084 8.068 -6.466 169 3HD1 LEU 22 HD13 LEU 22 8.350 6.846 -7.703 170 1HD2 LEU 22 HD21 LEU 22 5.205 7.098 -5.899 171 2HD2 LEU 22 HD22 LEU 22 4.379 8.101 -7.085 172 3HD2 LEU 22 HD23 LEU 22 5.603 8.808 -6.044 173 H ALA 23 HN ALA 23 9.034 11.817 -8.120 174 HA ALA 23 HA ALA 23 8.232 12.753 -10.645 175 1HB ALA 23 HB1 ALA 23 9.844 14.608 -10.295 176 2HB ALA 23 HB2 ALA 23 10.396 13.811 -8.822 177 3HB ALA 23 HB3 ALA 23 8.737 14.393 -8.939 178 H GLY 24 HN GLY 24 8.929 10.749 -11.711 179 1HA GLY 24 HA2 GLY 24 10.326 9.865 -13.318 180 2HA GLY 24 HA1 GLY 24 11.636 10.934 -12.790 181 H ILE 25 HN ILE 25 9.716 8.696 -10.936 182 HA ILE 25 HA ILE 25 12.135 7.133 -10.334 183 HB ILE 25 HB ILE 25 9.525 7.428 -8.787 184 1HG1 ILE 25 HG12 ILE 25 10.935 8.047 -6.866 185 2HG1 ILE 25 HG11 ILE 25 12.378 7.914 -7.834 186 1HG2 ILE 25 HG21 ILE 25 10.337 5.776 -7.153 187 2HG2 ILE 25 HG22 ILE 25 11.711 5.434 -8.208 188 3HG2 ILE 25 HG23 ILE 25 10.070 5.076 -8.751 189 1HD1 ILE 25 HD11 ILE 25 11.761 10.210 -7.504 190 2HD1 ILE 25 HD12 ILE 25 10.146 9.905 -8.146 191 3HD1 ILE 25 HD13 ILE 25 11.551 9.791 -9.204 192 H ASN 26 HN ASN 26 12.068 4.945 -10.759 193 HA ASN 26 HA ASN 26 10.138 4.326 -12.806 194 1HB ASN 26 HB2 ASN 26 12.483 2.675 -11.836 195 2HB ASN 26 HB1 ASN 26 11.417 2.224 -13.160 196 1HD2 ASN 26 HD21 ASN 26 12.818 2.271 -14.800 197 2HD2 ASN 26 HD22 ASN 26 13.712 3.652 -15.317 198 H LEU 27 HN LEU 27 8.371 3.422 -12.488 199 HA LEU 27 HA LEU 27 7.753 2.358 -9.871 200 1HB LEU 27 HB2 LEU 27 6.004 2.971 -12.247 201 2HB LEU 27 HB1 LEU 27 5.433 2.511 -10.648 202 HG LEU 27 HG LEU 27 7.025 5.003 -11.249 203 1HD1 LEU 27 HD11 LEU 27 4.803 5.144 -12.214 204 2HD1 LEU 27 HD12 LEU 27 4.968 6.221 -10.828 205 3HD1 LEU 27 HD13 LEU 27 4.091 4.700 -10.662 206 1HD2 LEU 27 HD21 LEU 27 7.406 4.176 -9.016 207 2HD2 LEU 27 HD22 LEU 27 5.671 4.044 -8.740 208 3HD2 LEU 27 HD23 LEU 27 6.409 5.628 -8.960 209 H ASP 28 HN ASP 28 9.105 1.127 -12.413 210 HA ASP 28 HA ASP 28 7.642 -1.388 -12.622 211 1HB ASP 28 HB2 ASP 28 10.374 -0.704 -13.755 212 2HB ASP 28 HB1 ASP 28 9.345 -2.048 -14.222 213 H SER 29 HN SER 29 9.885 0.077 -10.631 214 HA SER 29 HA SER 29 11.438 -2.239 -9.990 215 1HB SER 29 HB2 SER 29 11.390 0.536 -8.806 216 2HB SER 29 HB1 SER 29 12.608 -0.703 -8.490 217 HG SER 29 HG SER 29 13.398 -0.491 -10.456 218 H SER 30 HN SER 30 10.928 -3.643 -8.521 219 HA SER 30 HA SER 30 8.693 -3.531 -6.802 220 1HB SER 30 HB2 SER 30 11.100 -5.295 -7.021 221 2HB SER 30 HB1 SER 30 9.821 -5.649 -5.884 222 HG SER 30 HG SER 30 8.407 -5.898 -7.622 223 H LEU 31 HN LEU 31 8.808 -3.731 -4.430 224 HA LEU 31 HA LEU 31 10.178 -1.744 -3.093 225 1HB LEU 31 HB2 LEU 31 9.154 -4.352 -1.982 226 2HB LEU 31 HB1 LEU 31 9.624 -2.967 -1.007 227 HG LEU 31 HG LEU 31 7.275 -3.238 -2.860 228 1HD1 LEU 31 HD11 LEU 31 6.000 -2.745 -0.844 229 2HD1 LEU 31 HD12 LEU 31 7.497 -2.663 0.083 230 3HD1 LEU 31 HD13 LEU 31 6.994 -4.187 -0.646 231 1HD2 LEU 31 HD21 LEU 31 6.729 -0.954 -2.302 232 2HD2 LEU 31 HD22 LEU 31 8.265 -1.075 -3.183 233 3HD2 LEU 31 HD23 LEU 31 8.266 -0.798 -1.433 234 H ALA 32 HN ALA 32 11.084 -5.057 -3.629 235 HA ALA 32 HA ALA 32 13.300 -5.153 -1.980 236 1HB ALA 32 HB1 ALA 32 12.319 -7.147 -2.967 237 2HB ALA 32 HB2 ALA 32 14.046 -7.061 -3.322 238 3HB ALA 32 HB3 ALA 32 12.870 -6.635 -4.564 239 H ASP 33 HN ASP 33 12.879 -3.857 -5.171 240 HA ASP 33 HA ASP 33 15.617 -3.748 -5.862 241 1HB ASP 33 HB2 ASP 33 13.912 -3.745 -7.610 242 2HB ASP 33 HB1 ASP 33 13.267 -2.223 -7.012 243 H LEU 34 HN LEU 34 13.215 -1.563 -4.683 244 HA LEU 34 HA LEU 34 14.543 0.887 -4.564 245 1HB LEU 34 HB2 LEU 34 12.300 -0.314 -2.986 246 2HB LEU 34 HB1 LEU 34 12.889 1.287 -2.630 247 HG LEU 34 HG LEU 34 11.746 2.220 -4.390 248 1HD1 LEU 34 HD11 LEU 34 11.356 1.188 -6.552 249 2HD1 LEU 34 HD12 LEU 34 12.038 -0.332 -5.976 250 3HD1 LEU 34 HD13 LEU 34 13.069 1.092 -6.147 251 1HD2 LEU 34 HD21 LEU 34 9.657 1.033 -4.809 252 2HD2 LEU 34 HD22 LEU 34 10.131 0.959 -3.102 253 3HD2 LEU 34 HD23 LEU 34 10.394 -0.429 -4.148 254 H GLY 35 HN GLY 35 14.204 -1.623 -2.108 255 1HA GLY 35 HA2 GLY 35 16.631 -1.617 -0.986 256 2HA GLY 35 HA1 GLY 35 15.965 -0.137 -0.327 257 H LEU 36 HN LEU 36 13.543 -2.518 -0.784 258 HA LEU 36 HA LEU 36 13.335 -2.844 2.005 259 1HB LEU 36 HB2 LEU 36 11.253 -2.982 1.123 260 2HB LEU 36 HB1 LEU 36 11.726 -3.850 -0.303 261 HG LEU 36 HG LEU 36 11.816 -5.951 1.014 262 1HD1 LEU 36 HD11 LEU 36 10.893 -4.288 3.347 263 2HD1 LEU 36 HD12 LEU 36 12.464 -5.074 3.184 264 3HD1 LEU 36 HD13 LEU 36 10.999 -6.048 3.304 265 1HD2 LEU 36 HD21 LEU 36 9.256 -4.419 1.380 266 2HD2 LEU 36 HD22 LEU 36 9.433 -6.171 1.470 267 3HD2 LEU 36 HD23 LEU 36 9.735 -5.334 -0.051 268 H ASP 37 HN ASP 37 14.867 -3.685 2.932 269 HA ASP 37 HA ASP 37 15.213 -6.561 2.600 270 1HB ASP 37 HB2 ASP 37 17.177 -5.418 1.582 271 2HB ASP 37 HB1 ASP 37 17.481 -4.613 3.116 272 H SER 38 HN SER 38 15.149 -3.673 4.614 273 HA SER 38 HA SER 38 15.082 -5.422 6.945 274 1HB SER 38 HB2 SER 38 15.772 -3.357 8.216 275 2HB SER 38 HB1 SER 38 16.971 -3.974 7.075 276 HG SER 38 HG SER 38 16.522 -2.339 5.677 277 H LEU 39 HN LEU 39 14.050 -2.087 6.770 278 HA LEU 39 HA LEU 39 11.727 -2.640 8.417 279 1HB LEU 39 HB2 LEU 39 13.135 -0.763 8.902 280 2HB LEU 39 HB1 LEU 39 12.851 -0.090 7.312 281 HG LEU 39 HG LEU 39 10.412 0.066 7.973 282 1HD1 LEU 39 HD11 LEU 39 9.911 0.190 10.356 283 2HD1 LEU 39 HD12 LEU 39 11.541 -0.374 10.718 284 3HD1 LEU 39 HD13 LEU 39 10.414 -1.424 9.855 285 1HD2 LEU 39 HD21 LEU 39 11.862 1.984 7.791 286 2HD2 LEU 39 HD22 LEU 39 12.444 1.732 9.441 287 3HD2 LEU 39 HD23 LEU 39 10.759 2.179 9.155 288 H MET 40 HN MET 40 12.263 -1.901 5.083 289 HA MET 40 HA MET 40 9.820 -0.603 4.454 290 1HB MET 40 HB2 MET 40 11.674 -2.048 2.590 291 2HB MET 40 HB1 MET 40 10.456 -0.869 2.125 292 1HG MET 40 HG2 MET 40 12.501 0.293 2.051 293 2HG MET 40 HG1 MET 40 11.755 0.769 3.570 294 1HE MET 40 HE1 MET 40 14.157 1.714 4.319 295 2HE MET 40 HE2 MET 40 14.879 1.131 2.820 296 3HE MET 40 HE3 MET 40 15.617 0.725 4.369 297 H GLY 41 HN GLY 41 10.005 -3.665 5.385 298 1HA GLY 41 HA2 GLY 41 7.578 -4.325 3.835 299 2HA GLY 41 HA1 GLY 41 8.743 -5.548 4.335 300 H VAL 42 HN VAL 42 9.130 -3.996 6.874 301 HA VAL 42 HA VAL 42 7.357 -5.560 8.422 302 HB VAL 42 HB VAL 42 9.209 -3.330 9.326 303 1HG1 VAL 42 HG11 VAL 42 9.103 -4.385 11.534 304 2HG1 VAL 42 HG12 VAL 42 7.922 -5.543 10.920 305 3HG1 VAL 42 HG13 VAL 42 7.516 -3.830 10.999 306 1HG2 VAL 42 HG21 VAL 42 10.441 -5.078 8.186 307 2HG2 VAL 42 HG22 VAL 42 9.686 -6.304 9.205 308 3HG2 VAL 42 HG23 VAL 42 10.778 -5.112 9.915 309 H GLU 43 HN GLU 43 7.768 -2.047 8.009 310 HA GLU 43 HA GLU 43 5.581 -1.387 9.644 311 1HB GLU 43 HB2 GLU 43 7.368 0.228 8.962 312 2HB GLU 43 HB1 GLU 43 6.649 0.275 7.355 313 1HG GLU 43 HG2 GLU 43 4.569 1.118 8.297 314 2HG GLU 43 HG1 GLU 43 5.271 1.053 9.908 315 H VAL 44 HN VAL 44 5.843 -2.132 6.290 316 HA VAL 44 HA VAL 44 3.271 -1.438 5.291 317 HB VAL 44 HB VAL 44 4.864 -3.893 4.557 318 1HG1 VAL 44 HG11 VAL 44 2.990 -2.181 2.957 319 2HG1 VAL 44 HG12 VAL 44 2.683 -3.813 3.588 320 3HG1 VAL 44 HG13 VAL 44 3.919 -3.559 2.350 321 1HG2 VAL 44 HG21 VAL 44 6.367 -2.036 4.556 322 2HG2 VAL 44 HG22 VAL 44 5.263 -1.084 3.553 323 3HG2 VAL 44 HG23 VAL 44 6.029 -2.543 2.905 324 H ARG 45 HN ARG 45 4.448 -4.554 6.417 325 HA ARG 45 HA ARG 45 2.014 -5.870 6.504 326 1HB ARG 45 HB2 ARG 45 4.080 -7.041 6.525 327 2HB ARG 45 HB1 ARG 45 4.617 -6.205 7.964 328 1HG ARG 45 HG2 ARG 45 3.059 -7.446 9.306 329 2HG ARG 45 HG1 ARG 45 2.370 -8.197 7.857 330 1HD ARG 45 HD2 ARG 45 4.075 -9.578 9.129 331 2HD ARG 45 HD1 ARG 45 4.353 -9.383 7.399 332 HE ARG 45 HE ARG 45 6.156 -7.955 7.845 333 1HH1 ARG 45 HH11 ARG 45 4.739 -9.102 10.898 334 2HH1 ARG 45 HH12 ARG 45 6.131 -8.757 11.817 335 1HH2 ARG 45 HH21 ARG 45 8.027 -7.600 9.058 336 2HH2 ARG 45 HH22 ARG 45 8.102 -7.885 10.746 337 H GLN 46 HN GLN 46 3.592 -3.827 8.888 338 HA GLN 46 HA GLN 46 1.581 -4.296 10.890 339 1HB GLN 46 HB2 GLN 46 3.875 -2.328 10.847 340 2HB GLN 46 HB1 GLN 46 2.859 -2.669 12.238 341 1HG GLN 46 HG2 GLN 46 4.702 -4.588 10.846 342 2HG GLN 46 HG1 GLN 46 4.968 -3.835 12.417 343 1HE2 GLN 46 HE21 GLN 46 3.829 -4.604 14.192 344 2HE2 GLN 46 HE22 GLN 46 2.948 -6.085 14.154 345 H ILE 47 HN ILE 47 1.270 -2.747 8.158 346 HA ILE 47 HA ILE 47 -0.490 -0.660 9.278 347 HB ILE 47 HB ILE 47 0.486 -1.032 6.417 348 1HG1 ILE 47 HG12 ILE 47 0.895 1.264 8.311 349 2HG1 ILE 47 HG11 ILE 47 2.087 -0.011 8.048 350 1HG2 ILE 47 HG21 ILE 47 -1.820 -0.278 6.396 351 2HG2 ILE 47 HG22 ILE 47 -0.769 1.050 5.895 352 3HG2 ILE 47 HG23 ILE 47 -1.439 1.012 7.530 353 1HD1 ILE 47 HD11 ILE 47 2.243 0.661 5.696 354 2HD1 ILE 47 HD12 ILE 47 2.644 1.986 6.788 355 3HD1 ILE 47 HD13 ILE 47 1.070 1.944 5.992 356 H LEU 48 HN LEU 48 -0.298 -3.156 6.812 357 HA LEU 48 HA LEU 48 -3.032 -3.212 6.218 358 1HB LEU 48 HB2 LEU 48 -0.876 -5.262 5.798 359 2HB LEU 48 HB1 LEU 48 -2.523 -5.545 5.298 360 HG LEU 48 HG LEU 48 -1.345 -4.886 3.385 361 1HD1 LEU 48 HD11 LEU 48 -2.421 -2.842 2.695 362 2HD1 LEU 48 HD12 LEU 48 -2.797 -2.476 4.377 363 3HD1 LEU 48 HD13 LEU 48 -3.536 -3.883 3.596 364 1HD2 LEU 48 HD21 LEU 48 -0.321 -2.512 4.906 365 2HD2 LEU 48 HD22 LEU 48 -0.080 -2.818 3.183 366 3HD2 LEU 48 HD23 LEU 48 0.616 -3.910 4.380 367 H GLU 49 HN GLU 49 -1.158 -5.107 8.519 368 HA GLU 49 HA GLU 49 -3.452 -6.639 9.336 369 1HB GLU 49 HB2 GLU 49 -0.972 -7.366 9.187 370 2HB GLU 49 HB1 GLU 49 -0.735 -6.467 10.662 371 1HG GLU 49 HG2 GLU 49 -2.744 -8.699 10.510 372 2HG GLU 49 HG1 GLU 49 -1.034 -9.013 10.742 373 H ARG 50 HN ARG 50 -2.119 -3.604 10.028 374 HA ARG 50 HA ARG 50 -3.026 -3.532 12.796 375 1HB ARG 50 HB2 ARG 50 -0.907 -2.386 11.857 376 2HB ARG 50 HB1 ARG 50 -2.018 -1.157 11.277 377 1HG ARG 50 HG2 ARG 50 -1.302 -0.290 13.302 378 2HG ARG 50 HG1 ARG 50 -2.829 -1.058 13.738 379 1HD ARG 50 HD2 ARG 50 -0.063 -2.216 14.113 380 2HD ARG 50 HD1 ARG 50 -1.107 -1.598 15.389 381 HE ARG 50 HE ARG 50 -2.663 -3.473 14.631 382 1HH1 ARG 50 HH11 ARG 50 0.880 -3.719 14.606 383 2HH1 ARG 50 HH12 ARG 50 0.870 -5.431 14.652 384 1HH2 ARG 50 HH21 ARG 50 -2.636 -5.783 14.645 385 2HH2 ARG 50 HH22 ARG 50 -1.162 -6.619 14.529 386 H GLU 51 HN GLU 51 -3.536 -1.461 9.942 387 HA GLU 51 HA GLU 51 -5.737 -0.098 11.091 388 1HB GLU 51 HB2 GLU 51 -5.037 -0.291 8.158 389 2HB GLU 51 HB1 GLU 51 -6.016 0.944 8.927 390 1HG GLU 51 HG2 GLU 51 -3.049 0.511 9.225 391 2HG GLU 51 HG1 GLU 51 -3.861 1.850 8.425 392 H HIS 52 HN HIS 52 -5.399 -2.783 8.865 393 HA HIS 52 HA HIS 52 -8.299 -3.073 8.967 394 1HB HIS 52 HB2 HIS 52 -6.377 -3.757 6.801 395 2HB HIS 52 HB1 HIS 52 -7.810 -4.751 6.972 396 HD1 HIS 52 HD1 HIS 52 -9.664 -3.999 5.562 397 HD2 HIS 52 HD2 HIS 52 -7.189 -0.849 6.663 398 HE1 HIS 52 HE1 HIS 52 -10.592 -1.974 4.420 399 HE2 HIS 52 HE2 HIS 52 -9.239 -0.058 5.375 400 H ASP 53 HN ASP 53 -6.145 -5.647 8.022 401 HA ASP 53 HA ASP 53 -6.111 -7.142 10.233 402 1HB ASP 53 HB2 ASP 53 -7.985 -8.780 9.849 403 2HB ASP 53 HB1 ASP 53 -8.550 -7.176 10.293 404 H LEU 54 HN LEU 54 -5.055 -6.496 7.362 405 HA LEU 54 HA LEU 54 -5.123 -9.117 6.123 406 1HB LEU 54 HB2 LEU 54 -4.302 -6.398 5.144 407 2HB LEU 54 HB1 LEU 54 -3.862 -7.847 4.268 408 HG LEU 54 HG LEU 54 -6.305 -8.306 3.955 409 1HD1 LEU 54 HD11 LEU 54 -6.643 -5.556 5.126 410 2HD1 LEU 54 HD12 LEU 54 -7.195 -7.067 5.849 411 3HD1 LEU 54 HD13 LEU 54 -7.899 -6.505 4.333 412 1HD2 LEU 54 HD21 LEU 54 -4.995 -7.235 2.222 413 2HD2 LEU 54 HD22 LEU 54 -5.290 -5.656 2.953 414 3HD2 LEU 54 HD23 LEU 54 -6.627 -6.567 2.262 415 H VAL 55 HN VAL 55 -3.587 -10.449 6.710 416 HA VAL 55 HA VAL 55 -0.957 -9.407 7.411 417 HB VAL 55 HB VAL 55 -1.799 -12.316 7.246 418 1HG1 VAL 55 HG11 VAL 55 0.592 -11.977 7.174 419 2HG1 VAL 55 HG12 VAL 55 0.139 -12.707 8.709 420 3HG1 VAL 55 HG13 VAL 55 0.527 -10.987 8.631 421 1HG2 VAL 55 HG21 VAL 55 -3.226 -11.213 8.884 422 2HG2 VAL 55 HG22 VAL 55 -1.814 -10.522 9.677 423 3HG2 VAL 55 HG23 VAL 55 -2.069 -12.269 9.697 424 H LEU 56 HN LEU 56 -0.378 -8.573 5.473 425 HA LEU 56 HA LEU 56 -0.220 -10.374 3.212 426 1HB LEU 56 HB2 LEU 56 0.557 -7.470 3.452 427 2HB LEU 56 HB1 LEU 56 0.672 -8.407 1.980 428 HG LEU 56 HG LEU 56 -1.878 -7.665 3.424 429 1HD1 LEU 56 HD11 LEU 56 -2.342 -6.366 1.406 430 2HD1 LEU 56 HD12 LEU 56 -0.759 -6.808 0.765 431 3HD1 LEU 56 HD13 LEU 56 -0.876 -5.818 2.221 432 1HD2 LEU 56 HD21 LEU 56 -2.063 -9.890 2.426 433 2HD2 LEU 56 HD22 LEU 56 -1.499 -9.250 0.881 434 3HD2 LEU 56 HD23 LEU 56 -3.043 -8.719 1.546 435 HA PRO 57 HA PRO 57 3.786 -11.522 4.670 436 1HB PRO 57 HB2 PRO 57 3.659 -13.322 2.359 437 2HB PRO 57 HB1 PRO 57 3.781 -13.718 4.078 438 1HG PRO 57 HG2 PRO 57 1.512 -14.185 2.756 439 2HG PRO 57 HG1 PRO 57 1.461 -13.502 4.402 440 1HD PRO 57 HD2 PRO 57 1.295 -12.055 1.782 441 2HD PRO 57 HD1 PRO 57 0.193 -11.966 3.183 442 H ILE 58 HN ILE 58 5.923 -11.796 3.735 443 HA ILE 58 HA ILE 58 6.565 -9.538 2.140 444 HB ILE 58 HB ILE 58 8.360 -11.772 3.176 445 1HG1 ILE 58 HG12 ILE 58 9.268 -9.858 4.643 446 2HG1 ILE 58 HG11 ILE 58 7.867 -8.948 4.103 447 1HG2 ILE 58 HG21 ILE 58 9.372 -10.862 1.176 448 2HG2 ILE 58 HG22 ILE 58 10.292 -10.369 2.596 449 3HG2 ILE 58 HG23 ILE 58 9.217 -9.222 1.802 450 1HD1 ILE 58 HD11 ILE 58 6.393 -10.570 5.157 451 2HD1 ILE 58 HD12 ILE 58 7.533 -9.896 6.320 452 3HD1 ILE 58 HD13 ILE 58 7.787 -11.517 5.672 453 H ARG 59 HN ARG 59 6.173 -12.908 1.494 454 HA ARG 59 HA ARG 59 7.370 -12.825 -1.078 455 1HB ARG 59 HB2 ARG 59 6.312 -15.007 -1.600 456 2HB ARG 59 HB1 ARG 59 7.201 -15.020 -0.096 457 1HG ARG 59 HG2 ARG 59 4.246 -14.599 -0.103 458 2HG ARG 59 HG1 ARG 59 4.918 -16.217 -0.289 459 1HD ARG 59 HD2 ARG 59 5.441 -14.325 2.007 460 2HD ARG 59 HD1 ARG 59 4.375 -15.717 2.043 461 HE ARG 59 HE ARG 59 7.053 -16.369 1.262 462 1HH1 ARG 59 HH11 ARG 59 4.784 -16.124 3.938 463 2HH1 ARG 59 HH12 ARG 59 5.773 -16.877 5.095 464 1HH2 ARG 59 HH21 ARG 59 8.459 -17.482 2.803 465 2HH2 ARG 59 HH22 ARG 59 7.922 -17.673 4.418 466 H GLU 60 HN GLU 60 4.588 -11.452 -0.057 467 HA GLU 60 HA GLU 60 3.621 -11.146 -2.809 468 1HB GLU 60 HB2 GLU 60 2.363 -10.742 -0.103 469 2HB GLU 60 HB1 GLU 60 1.773 -9.804 -1.459 470 1HG GLU 60 HG2 GLU 60 0.447 -11.831 -0.930 471 2HG GLU 60 HG1 GLU 60 1.031 -11.758 -2.584 472 H VAL 61 HN VAL 61 4.151 -9.280 0.138 473 HA VAL 61 HA VAL 61 3.987 -6.725 -0.846 474 HB VAL 61 HB VAL 61 5.555 -7.727 1.535 475 1HG1 VAL 61 HG11 VAL 61 4.735 -4.898 0.881 476 2HG1 VAL 61 HG12 VAL 61 6.385 -5.520 0.892 477 3HG1 VAL 61 HG13 VAL 61 5.461 -5.436 2.395 478 1HG2 VAL 61 HG21 VAL 61 3.178 -8.200 1.616 479 2HG2 VAL 61 HG22 VAL 61 2.813 -6.504 1.288 480 3HG2 VAL 61 HG23 VAL 61 3.603 -6.964 2.798 481 H ARG 62 HN ARG 62 7.016 -8.594 -0.552 482 HA ARG 62 HA ARG 62 8.754 -6.425 -1.024 483 1HB ARG 62 HB2 ARG 62 9.375 -8.603 -0.036 484 2HB ARG 62 HB1 ARG 62 9.256 -9.328 -1.632 485 1HG ARG 62 HG2 ARG 62 10.974 -7.757 -2.412 486 2HG ARG 62 HG1 ARG 62 11.174 -7.192 -0.757 487 1HD ARG 62 HD2 ARG 62 12.863 -8.848 -1.216 488 2HD ARG 62 HD1 ARG 62 11.682 -9.577 -0.125 489 HE ARG 62 HE ARG 62 11.049 -10.064 -2.865 490 1HH1 ARG 62 HH11 ARG 62 13.166 -11.203 -0.246 491 2HH1 ARG 62 HH12 ARG 62 13.388 -12.744 -0.907 492 1HH2 ARG 62 HH21 ARG 62 11.282 -12.218 -3.735 493 2HH2 ARG 62 HH22 ARG 62 12.235 -13.359 -2.890 494 H GLN 63 HN GLN 63 6.957 -8.333 -3.201 495 HA GLN 63 HA GLN 63 8.620 -7.791 -5.514 496 1HB GLN 63 HB2 GLN 63 6.029 -9.341 -5.262 497 2HB GLN 63 HB1 GLN 63 6.924 -9.136 -6.743 498 1HG GLN 63 HG2 GLN 63 7.361 -11.341 -5.844 499 2HG GLN 63 HG1 GLN 63 8.824 -10.376 -5.797 500 1HE2 GLN 63 HE21 GLN 63 6.225 -10.097 -3.493 501 2HE2 GLN 63 HE22 GLN 63 7.132 -10.717 -2.145 502 H LEU 64 HN LEU 64 6.077 -6.383 -3.850 503 HA LEU 64 HA LEU 64 4.522 -5.372 -5.982 504 1HB LEU 64 HB2 LEU 64 4.918 -4.177 -3.242 505 2HB LEU 64 HB1 LEU 64 3.655 -3.747 -4.365 506 HG LEU 64 HG LEU 64 3.997 -6.339 -2.897 507 1HD1 LEU 64 HD11 LEU 64 1.889 -4.201 -2.726 508 2HD1 LEU 64 HD12 LEU 64 3.133 -4.559 -1.526 509 3HD1 LEU 64 HD13 LEU 64 1.858 -5.733 -1.851 510 1HD2 LEU 64 HD21 LEU 64 3.133 -6.802 -5.132 511 2HD2 LEU 64 HD22 LEU 64 1.867 -5.594 -4.904 512 3HD2 LEU 64 HD23 LEU 64 1.878 -7.058 -3.918 513 H THR 65 HN THR 65 4.774 -3.639 -7.218 514 HA THR 65 HA THR 65 7.228 -2.189 -7.059 515 HB THR 65 HB THR 65 6.295 -1.218 -9.202 516 HG1 THR 65 HG1 THR 65 4.431 -2.079 -9.987 517 1HG2 THR 65 HG21 THR 65 6.368 -4.211 -8.961 518 2HG2 THR 65 HG22 THR 65 7.773 -3.170 -9.173 519 3HG2 THR 65 HG23 THR 65 6.565 -3.308 -10.468 520 H LEU 66 HN LEU 66 7.168 0.115 -7.098 521 HA LEU 66 HA LEU 66 6.193 1.103 -4.771 522 1HB LEU 66 HB2 LEU 66 7.966 2.039 -6.359 523 2HB LEU 66 HB1 LEU 66 6.655 2.886 -7.147 524 HG LEU 66 HG LEU 66 7.945 4.304 -5.572 525 1HD1 LEU 66 HD11 LEU 66 5.115 3.822 -4.732 526 2HD1 LEU 66 HD12 LEU 66 5.643 4.909 -6.027 527 3HD1 LEU 66 HD13 LEU 66 6.055 5.263 -4.339 528 1HD2 LEU 66 HD21 LEU 66 8.547 2.616 -3.946 529 2HD2 LEU 66 HD22 LEU 66 6.859 2.434 -3.480 530 3HD2 LEU 66 HD23 LEU 66 7.704 3.949 -3.155 531 H ARG 67 HN ARG 67 4.482 1.549 -7.927 532 HA ARG 67 HA ARG 67 2.427 2.903 -6.412 533 1HB ARG 67 HB2 ARG 67 3.022 2.768 -9.323 534 2HB ARG 67 HB1 ARG 67 1.393 3.165 -8.792 535 1HG ARG 67 HG2 ARG 67 3.885 4.629 -7.955 536 2HG ARG 67 HG1 ARG 67 2.748 5.163 -9.201 537 1HD ARG 67 HD2 ARG 67 0.944 5.103 -7.481 538 2HD ARG 67 HD1 ARG 67 2.161 4.722 -6.283 539 HE ARG 67 HE ARG 67 2.883 6.885 -6.293 540 1HH1 ARG 67 HH11 ARG 67 0.733 6.443 -9.076 541 2HH1 ARG 67 HH12 ARG 67 0.398 8.085 -9.281 542 1HH2 ARG 67 HH21 ARG 67 2.392 9.227 -6.546 543 2HH2 ARG 67 HH22 ARG 67 1.327 9.694 -7.783 544 H LYS 68 HN LYS 68 3.051 -0.183 -7.048 545 HA LYS 68 HA LYS 68 0.336 -1.009 -7.531 546 1HB LYS 68 HB2 LYS 68 2.273 -2.378 -8.282 547 2HB LYS 68 HB1 LYS 68 2.737 -2.617 -6.605 548 1HG LYS 68 HG2 LYS 68 0.705 -3.866 -6.190 549 2HG LYS 68 HG1 LYS 68 0.154 -3.560 -7.835 550 1HD LYS 68 HD2 LYS 68 2.659 -5.087 -7.100 551 2HD LYS 68 HD1 LYS 68 1.122 -5.824 -7.533 552 1HE LYS 68 HE2 LYS 68 2.800 -4.045 -9.321 553 2HE LYS 68 HE1 LYS 68 2.688 -5.798 -9.424 554 1HZ LYS 68 HZ1 LYS 68 0.510 -3.843 -9.920 555 2HZ LYS 68 HZ2 LYS 68 0.255 -5.485 -9.817 556 3HZ LYS 68 HZ3 LYS 68 1.215 -4.871 -11.058 557 H LEU 69 HN LEU 69 2.362 -0.185 -4.939 558 HA LEU 69 HA LEU 69 1.127 -1.393 -2.759 559 1HB LEU 69 HB2 LEU 69 2.667 1.135 -3.019 560 2HB LEU 69 HB1 LEU 69 1.781 0.867 -1.536 561 HG LEU 69 HG LEU 69 4.078 0.219 -1.253 562 1HD1 LEU 69 HD11 LEU 69 2.264 -2.173 -1.375 563 2HD1 LEU 69 HD12 LEU 69 2.399 -1.032 -0.048 564 3HD1 LEU 69 HD13 LEU 69 3.772 -2.068 -0.461 565 1HD2 LEU 69 HD21 LEU 69 5.070 -1.630 -2.503 566 2HD2 LEU 69 HD22 LEU 69 4.632 -0.293 -3.572 567 3HD2 LEU 69 HD23 LEU 69 3.615 -1.735 -3.494 568 H GLN 70 HN GLN 70 0.038 1.495 -4.465 569 HA GLN 70 HA GLN 70 -2.014 1.849 -2.469 570 1HB GLN 70 HB2 GLN 70 -2.867 3.721 -3.922 571 2HB GLN 70 HB1 GLN 70 -1.258 3.920 -3.263 572 1HG GLN 70 HG2 GLN 70 -0.258 3.475 -5.331 573 2HG GLN 70 HG1 GLN 70 -1.801 2.981 -6.078 574 1HE2 GLN 70 HE21 GLN 70 -1.691 4.562 -7.663 575 2HE2 GLN 70 HE22 GLN 70 -1.842 6.247 -7.312 576 H GLU 71 HN GLU 71 -1.708 -0.155 -5.022 577 HA GLU 71 HA GLU 71 -4.567 -0.200 -5.595 578 1HB GLU 71 HB2 GLU 71 -2.795 -0.412 -7.425 579 2HB GLU 71 HB1 GLU 71 -2.413 -1.988 -6.744 580 1HG GLU 71 HG2 GLU 71 -3.896 -2.194 -8.646 581 2HG GLU 71 HG1 GLU 71 -4.699 -2.720 -7.161 582 H MET 72 HN MET 72 -2.007 -1.887 -3.977 583 HA MET 72 HA MET 72 -3.819 -4.005 -3.038 584 1HB MET 72 HB2 MET 72 -0.808 -3.714 -2.872 585 2HB MET 72 HB1 MET 72 -1.717 -5.045 -2.178 586 1HG MET 72 HG2 MET 72 -1.475 -4.355 -5.095 587 2HG MET 72 HG1 MET 72 -0.700 -5.701 -4.260 588 1HE MET 72 HE1 MET 72 -1.599 -7.496 -5.941 589 2HE MET 72 HE2 MET 72 -2.314 -6.202 -6.903 590 3HE MET 72 HE3 MET 72 -3.283 -7.604 -6.456 591 H SER 73 HN SER 73 -3.946 -1.257 -2.188 592 HA SER 73 HA SER 73 -2.600 -1.035 0.331 593 1HB SER 73 HB2 SER 73 -2.937 0.860 -1.279 594 2HB SER 73 HB1 SER 73 -4.654 0.770 -0.948 595 HG SER 73 HG SER 73 -4.121 1.279 1.286 596 H SER 74 HN SER 74 -5.848 -1.417 -0.922 597 HA SER 74 HA SER 74 -7.783 -2.173 -0.114 598 1HB SER 74 HB2 SER 74 -6.447 -4.157 0.598 599 2HB SER 74 HB1 SER 74 -6.161 -3.374 2.154 600 HG SER 74 HG SER 74 -8.216 -4.899 1.440 601 H LYS 75 HN LYS 75 -8.386 -0.034 0.155 602 HA LYS 75 HA LYS 75 -8.320 1.103 2.839 603 1HB LYS 75 HB2 LYS 75 -9.606 2.137 0.303 604 2HB LYS 75 HB1 LYS 75 -9.415 3.030 1.798 605 1HG LYS 75 HG2 LYS 75 -6.975 2.951 1.505 606 2HG LYS 75 HG1 LYS 75 -7.214 2.113 -0.037 607 1HD LYS 75 HD2 LYS 75 -8.516 4.004 -0.867 608 2HD LYS 75 HD1 LYS 75 -8.286 4.841 0.668 609 1HE LYS 75 HE2 LYS 75 -6.731 5.706 -0.963 610 2HE LYS 75 HE1 LYS 75 -5.853 4.803 0.270 611 1HZ LYS 75 HZ1 LYS 75 -5.118 4.399 -1.997 612 2HZ LYS 75 HZ2 LYS 75 -6.616 3.677 -2.371 613 3HZ LYS 75 HZ3 LYS 75 -5.606 2.980 -1.206 614 H ALA 76 HN ALA 76 -10.539 0.066 0.336 615 HA ALA 76 HA ALA 76 -12.396 -1.193 2.014 616 1HB ALA 76 HB1 ALA 76 -14.312 0.326 1.733 617 2HB ALA 76 HB2 ALA 76 -13.265 1.512 0.955 618 3HB ALA 76 HB3 ALA 76 -13.026 1.107 2.654 619 H GLY 77 HN GLY 77 -13.252 -2.680 0.711 620 1HA GLY 77 HA2 GLY 77 -13.183 -2.241 -2.178 621 2HA GLY 77 HA1 GLY 77 -13.575 -3.761 -1.353 622 H SER 78 HN SER 78 -15.550 -4.076 -0.486 623 HA SER 78 HA SER 78 -17.769 -3.932 -0.148 624 1HB SER 78 HB2 SER 78 -17.111 -0.994 0.084 625 2HB SER 78 HB1 SER 78 -18.564 -1.777 0.715 626 HG SER 78 HG SER 78 -17.424 -2.174 2.418 627 H ASP 79 HN ASP 79 -16.928 -3.765 -3.042 628 HA ASP 79 HA ASP 79 -18.874 -2.010 -4.271 629 1HB ASP 79 HB2 ASP 79 -17.306 -4.321 -5.436 630 2HB ASP 79 HB1 ASP 79 -18.404 -3.320 -6.372 631 H THR 80 HN THR 80 -18.852 -5.064 -2.906 632 HA THR 80 HA THR 80 -21.072 -6.205 -4.222 633 HB THR 80 HB THR 80 -20.714 -7.763 -2.131 634 HG1 THR 80 HG1 THR 80 -19.390 -6.425 -0.939 635 1HG2 THR 80 HG21 THR 80 -18.863 -8.855 -3.342 636 2HG2 THR 80 HG22 THR 80 -18.631 -7.396 -4.305 637 3HG2 THR 80 HG23 THR 80 -20.121 -8.327 -4.459 638 H GLU 81 HN GLU 81 -21.038 -3.615 -2.262 639 HA GLU 81 HA GLU 81 -23.703 -4.194 -1.307 640 1HB GLU 81 HB2 GLU 81 -23.199 -2.814 0.752 641 2HB GLU 81 HB1 GLU 81 -22.397 -4.375 0.693 642 1HG GLU 81 HG2 GLU 81 -20.371 -3.186 -0.156 643 2HG GLU 81 HG1 GLU 81 -21.205 -1.673 0.184 644 H LEU 82 HN LEU 82 -25.078 -2.855 -2.081 645 HA LEU 82 HA LEU 82 -24.106 -0.296 -3.158 646 1HB LEU 82 HB2 LEU 82 -26.331 -2.059 -4.193 647 2HB LEU 82 HB1 LEU 82 -25.886 -0.499 -4.856 648 HG LEU 82 HG LEU 82 -24.088 -2.928 -4.813 649 1HD1 LEU 82 HD11 LEU 82 -25.979 -3.253 -6.302 650 2HD1 LEU 82 HD12 LEU 82 -24.486 -3.027 -7.215 651 3HD1 LEU 82 HD13 LEU 82 -25.648 -1.703 -7.075 652 1HD2 LEU 82 HD21 LEU 82 -23.772 -0.242 -6.158 653 2HD2 LEU 82 HD22 LEU 82 -22.682 -1.619 -6.336 654 3HD2 LEU 82 HD23 LEU 82 -22.852 -0.824 -4.770 655 H ALA 83 HN ALA 83 -26.640 -1.967 -1.435 656 HA ALA 83 HA ALA 83 -27.953 0.589 -0.825 657 1HB ALA 83 HB1 ALA 83 -28.883 -2.259 -0.417 658 2HB ALA 83 HB2 ALA 83 -29.414 -1.181 -1.706 659 3HB ALA 83 HB3 ALA 83 -29.815 -0.817 -0.029 660 H ALA 84 HN ALA 84 -25.427 -0.256 0.195 661 HA ALA 84 HA ALA 84 -25.594 -1.254 2.838 662 1HB ALA 84 HB1 ALA 84 -23.528 -1.339 1.528 663 2HB ALA 84 HB2 ALA 84 -23.284 -0.455 3.034 664 3HB ALA 84 HB3 ALA 84 -23.459 0.424 1.515 665 HA PRO 85 HA PRO 85 -27.114 2.446 4.722 666 1HB PRO 85 HB2 PRO 85 -26.112 1.457 7.269 667 2HB PRO 85 HB1 PRO 85 -27.785 1.603 6.721 668 1HG PRO 85 HG2 PRO 85 -26.564 -0.789 7.097 669 2HG PRO 85 HG1 PRO 85 -27.840 -0.528 5.899 670 1HD PRO 85 HD2 PRO 85 -24.883 -0.664 5.517 671 2HD PRO 85 HD1 PRO 85 -26.186 -1.340 4.514 672 H LYS 86 HN LYS 86 -26.240 4.394 5.192 673 HA LYS 86 HA LYS 86 -23.428 4.743 5.085 674 1HB LYS 86 HB2 LYS 86 -23.885 7.133 5.572 675 2HB LYS 86 HB1 LYS 86 -24.859 6.497 4.257 676 1HG LYS 86 HG2 LYS 86 -26.793 6.340 5.717 677 2HG LYS 86 HG1 LYS 86 -25.820 6.863 7.091 678 1HD LYS 86 HD2 LYS 86 -27.189 8.694 6.167 679 2HD LYS 86 HD1 LYS 86 -25.464 9.029 6.044 680 1HE LYS 86 HE2 LYS 86 -26.609 9.673 4.000 681 2HE LYS 86 HE1 LYS 86 -25.502 8.341 3.691 682 1HZ LYS 86 HZ1 LYS 86 -27.474 6.826 3.803 683 2HZ LYS 86 HZ2 LYS 86 -27.504 7.945 2.558 684 3HZ LYS 86 HZ3 LYS 86 -28.477 8.194 3.896 685 H SER 87 HN SER 87 -25.676 4.320 7.662 686 HA SER 87 HA SER 87 -25.548 4.072 9.810 687 1HB SER 87 HB2 SER 87 -22.553 3.813 9.396 688 2HB SER 87 HB1 SER 87 -23.417 3.376 10.874 689 HG SER 87 HG SER 87 -23.187 2.038 8.491 690 H LYS 88 HN LYS 88 -26.368 5.813 10.477 691 HA LYS 88 HA LYS 88 -24.954 8.317 10.341 692 1HB LYS 88 HB2 LYS 88 -27.077 9.337 11.009 693 2HB LYS 88 HB1 LYS 88 -27.243 8.293 9.612 694 1HG LYS 88 HG2 LYS 88 -28.188 6.542 11.063 695 2HG LYS 88 HG1 LYS 88 -28.058 7.644 12.440 696 1HD LYS 88 HD2 LYS 88 -29.521 9.238 11.299 697 2HD LYS 88 HD1 LYS 88 -29.650 8.139 9.928 698 1HE LYS 88 HE2 LYS 88 -31.609 7.946 11.310 699 2HE LYS 88 HE1 LYS 88 -30.673 6.459 11.410 700 1HZ LYS 88 HZ1 LYS 88 -29.878 7.108 13.597 701 2HZ LYS 88 HZ2 LYS 88 -31.558 7.301 13.559 702 3HZ LYS 88 HZ3 LYS 88 -30.553 8.636 13.419 703 H ASN 89 HN ASN 89 -25.589 9.852 12.323 704 HA ASN 89 HA ASN 89 -24.852 8.496 14.771 705 1HB ASN 89 HB2 ASN 89 -23.107 10.145 15.285 706 2HB ASN 89 HB1 ASN 89 -22.731 9.330 13.776 707 1HD2 ASN 89 HD21 ASN 89 -23.423 12.299 15.311 708 2HD2 ASN 89 HD22 ASN 89 -23.237 13.328 13.934 Start of MODEL 20 1 1H GLY 1 HT1 GLY 1 -16.001 -2.080 12.539 2 2H GLY 1 HT2 GLY 1 -15.924 -3.462 11.555 3 3H GLY 1 HT3 GLY 1 -17.283 -3.203 12.555 4 1HA GLY 1 HA1 GLY 1 -17.727 -2.713 10.238 5 2HA GLY 1 HA2 GLY 1 -17.894 -1.300 11.281 6 H ASP 2 HN ASP 2 -17.452 0.124 9.585 7 HA ASP 2 HA ASP 2 -14.711 -0.023 8.564 8 1HB ASP 2 HB2 ASP 2 -17.119 1.375 7.362 9 2HB ASP 2 HB1 ASP 2 -15.478 1.561 6.763 10 H GLY 3 HN GLY 3 -13.809 0.868 10.304 11 1HA GLY 3 HA2 GLY 3 -14.551 3.676 10.823 12 2HA GLY 3 HA1 GLY 3 -13.959 2.585 12.070 13 H GLU 4 HN GLU 4 -11.910 1.341 10.613 14 HA GLU 4 HA GLU 4 -9.859 3.241 11.023 15 1HB GLU 4 HB2 GLU 4 -9.703 0.541 9.663 16 2HB GLU 4 HB1 GLU 4 -8.344 1.485 10.246 17 1HG GLU 4 HG2 GLU 4 -10.491 0.181 11.906 18 2HG GLU 4 HG1 GLU 4 -8.802 -0.303 11.775 19 H ALA 5 HN ALA 5 -9.525 4.870 9.672 20 HA ALA 5 HA ALA 5 -10.144 4.640 6.877 21 1HB ALA 5 HB1 ALA 5 -10.574 6.762 8.045 22 2HB ALA 5 HB2 ALA 5 -9.387 6.980 6.762 23 3HB ALA 5 HB3 ALA 5 -8.860 6.889 8.442 24 H GLN 6 HN GLN 6 -8.829 3.483 5.753 25 HA GLN 6 HA GLN 6 -6.141 2.948 6.463 26 1HB GLN 6 HB2 GLN 6 -7.724 1.484 5.109 27 2HB GLN 6 HB1 GLN 6 -7.409 2.564 3.760 28 1HG GLN 6 HG2 GLN 6 -5.959 0.793 3.408 29 2HG GLN 6 HG1 GLN 6 -4.942 2.030 4.146 30 1HE2 GLN 6 HE21 GLN 6 -4.222 1.697 6.323 31 2HE2 GLN 6 HE22 GLN 6 -4.288 0.112 7.002 32 H ARG 7 HN ARG 7 -4.421 4.076 5.978 33 HA ARG 7 HA ARG 7 -4.478 6.539 4.541 34 1HB ARG 7 HB2 ARG 7 -2.075 6.585 4.912 35 2HB ARG 7 HB1 ARG 7 -2.872 6.059 6.389 36 1HG ARG 7 HG2 ARG 7 -2.250 3.762 5.976 37 2HG ARG 7 HG1 ARG 7 -1.630 4.186 4.382 38 1HD ARG 7 HD2 ARG 7 0.202 3.902 5.912 39 2HD ARG 7 HD1 ARG 7 0.082 5.586 5.430 40 HE ARG 7 HE ARG 7 -1.053 4.682 7.983 41 1HH1 ARG 7 HH11 ARG 7 1.304 6.627 6.208 42 2HH1 ARG 7 HH12 ARG 7 1.827 7.536 7.542 43 1HH2 ARG 7 HH21 ARG 7 -0.349 5.908 9.862 44 2HH2 ARG 7 HH22 ARG 7 0.844 7.095 9.721 45 H ASP 8 HN ASP 8 -2.936 6.888 2.663 46 HA ASP 8 HA ASP 8 -3.265 4.755 0.756 47 1HB ASP 8 HB2 ASP 8 -3.414 7.182 0.114 48 2HB ASP 8 HB1 ASP 8 -1.691 7.322 0.469 49 H LEU 9 HN LEU 9 -1.679 3.334 0.189 50 HA LEU 9 HA LEU 9 0.399 3.037 2.103 51 1HB LEU 9 HB2 LEU 9 -0.149 1.443 -0.372 52 2HB LEU 9 HB1 LEU 9 1.045 1.033 0.840 53 HG LEU 9 HG LEU 9 -1.940 1.097 1.183 54 1HD1 LEU 9 HD11 LEU 9 -1.105 -0.846 0.016 55 2HD1 LEU 9 HD12 LEU 9 -1.653 -1.285 1.634 56 3HD1 LEU 9 HD13 LEU 9 0.072 -1.134 1.297 57 1HD2 LEU 9 HD21 LEU 9 0.206 0.558 3.239 58 2HD2 LEU 9 HD22 LEU 9 -1.525 0.328 3.482 59 3HD2 LEU 9 HD23 LEU 9 -0.879 1.949 3.204 60 H VAL 10 HN VAL 10 0.320 4.636 -0.931 61 HA VAL 10 HA VAL 10 3.162 4.424 -1.283 62 HB VAL 10 HB VAL 10 1.062 6.158 -2.642 63 1HG1 VAL 10 HG11 VAL 10 3.985 5.838 -3.373 64 2HG1 VAL 10 HG12 VAL 10 3.252 7.296 -2.706 65 3HG1 VAL 10 HG13 VAL 10 2.775 6.722 -4.304 66 1HG2 VAL 10 HG21 VAL 10 0.884 3.799 -3.103 67 2HG2 VAL 10 HG22 VAL 10 2.588 3.736 -3.555 68 3HG2 VAL 10 HG23 VAL 10 1.447 4.665 -4.530 69 H LYS 11 HN LYS 11 0.913 6.387 0.358 70 HA LYS 11 HA LYS 11 2.826 8.494 0.890 71 1HB LYS 11 HB2 LYS 11 0.172 8.040 2.256 72 2HB LYS 11 HB1 LYS 11 1.159 9.500 2.201 73 1HG LYS 11 HG2 LYS 11 -0.253 8.255 -0.136 74 2HG LYS 11 HG1 LYS 11 -0.780 9.682 0.756 75 1HD LYS 11 HD2 LYS 11 1.285 10.833 0.086 76 2HD LYS 11 HD1 LYS 11 1.760 9.405 -0.843 77 1HE LYS 11 HE2 LYS 11 0.760 11.007 -2.327 78 2HE LYS 11 HE1 LYS 11 -0.316 9.621 -2.155 79 1HZ LYS 11 HZ1 LYS 11 -1.563 10.982 -0.453 80 2HZ LYS 11 HZ2 LYS 11 -1.612 11.552 -2.034 81 3HZ LYS 11 HZ3 LYS 11 -0.589 12.294 -0.914 82 H ALA 12 HN ALA 12 2.685 5.494 1.811 83 HA ALA 12 HA ALA 12 3.714 6.006 4.510 84 1HB ALA 12 HB1 ALA 12 2.424 3.497 3.436 85 2HB ALA 12 HB2 ALA 12 1.672 4.654 4.533 86 3HB ALA 12 HB3 ALA 12 3.064 3.706 5.066 87 H VAL 13 HN VAL 13 3.896 3.405 2.070 88 HA VAL 13 HA VAL 13 6.461 2.535 2.840 89 HB VAL 13 HB VAL 13 4.981 2.058 0.240 90 1HG1 VAL 13 HG11 VAL 13 7.268 0.519 1.465 91 2HG1 VAL 13 HG12 VAL 13 7.338 1.548 0.031 92 3HG1 VAL 13 HG13 VAL 13 6.372 0.070 0.005 93 1HG2 VAL 13 HG21 VAL 13 5.049 0.424 2.777 94 2HG2 VAL 13 HG22 VAL 13 4.266 -0.050 1.269 95 3HG2 VAL 13 HG23 VAL 13 3.676 1.349 2.167 96 H ALA 14 HN ALA 14 5.373 4.394 0.029 97 HA ALA 14 HA ALA 14 7.985 4.744 -0.992 98 1HB ALA 14 HB1 ALA 14 5.490 6.359 -1.530 99 2HB ALA 14 HB2 ALA 14 5.987 4.924 -2.415 100 3HB ALA 14 HB3 ALA 14 6.961 6.398 -2.505 101 H HIS 15 HN HIS 15 5.973 6.491 1.215 102 HA HIS 15 HA HIS 15 7.494 8.870 1.308 103 1HB HIS 15 HB2 HIS 15 5.152 8.753 2.071 104 2HB HIS 15 HB1 HIS 15 5.629 7.711 3.398 105 HD1 HIS 15 HD1 HIS 15 5.852 11.345 2.231 106 HD2 HIS 15 HD2 HIS 15 6.601 9.037 5.636 107 HE1 HIS 15 HE1 HIS 15 6.191 12.954 4.078 108 HE2 HIS 15 HE2 HIS 15 6.872 11.572 6.054 109 H ILE 16 HN ILE 16 7.921 5.770 2.808 110 HA ILE 16 HA ILE 16 9.790 6.521 4.787 111 HB ILE 16 HB ILE 16 9.564 3.905 3.247 112 1HG1 ILE 16 HG12 ILE 16 7.557 4.367 4.536 113 2HG1 ILE 16 HG11 ILE 16 8.457 3.056 5.289 114 1HG2 ILE 16 HG21 ILE 16 10.877 2.869 5.039 115 2HG2 ILE 16 HG22 ILE 16 11.119 4.455 5.766 116 3HG2 ILE 16 HG23 ILE 16 11.796 4.105 4.176 117 1HD1 ILE 16 HD11 ILE 16 8.419 5.926 6.199 118 2HD1 ILE 16 HD12 ILE 16 9.324 4.616 6.958 119 3HD1 ILE 16 HD13 ILE 16 7.560 4.581 6.952 120 H LEU 17 HN LEU 17 10.139 5.570 1.405 121 HA LEU 17 HA LEU 17 12.974 5.962 1.318 122 1HB LEU 17 HB2 LEU 17 10.933 5.731 -0.890 123 2HB LEU 17 HB1 LEU 17 12.660 5.823 -1.161 124 HG LEU 17 HG LEU 17 11.235 3.615 0.314 125 1HD1 LEU 17 HD11 LEU 17 12.485 3.676 -2.428 126 2HD1 LEU 17 HD12 LEU 17 10.760 3.592 -2.070 127 3HD1 LEU 17 HD13 LEU 17 11.818 2.251 -1.630 128 1HD2 LEU 17 HD21 LEU 17 13.406 2.485 0.252 129 2HD2 LEU 17 HD22 LEU 17 13.500 4.002 1.149 130 3HD2 LEU 17 HD23 LEU 17 14.132 3.911 -0.493 131 H GLY 18 HN GLY 18 10.231 7.948 0.950 132 1HA GLY 18 HA2 GLY 18 10.456 10.336 1.255 133 2HA GLY 18 HA1 GLY 18 11.992 10.248 0.401 134 H ILE 19 HN ILE 19 9.498 8.360 -0.923 135 HA ILE 19 HA ILE 19 9.171 10.342 -3.017 136 HB ILE 19 HB ILE 19 8.344 8.230 -4.335 137 1HG1 ILE 19 HG12 ILE 19 10.237 7.014 -2.305 138 2HG1 ILE 19 HG11 ILE 19 8.557 6.582 -2.606 139 1HG2 ILE 19 HG21 ILE 19 10.101 9.678 -5.064 140 2HG2 ILE 19 HG22 ILE 19 10.592 7.999 -5.299 141 3HG2 ILE 19 HG23 ILE 19 11.246 8.927 -3.942 142 1HD1 ILE 19 HD11 ILE 19 10.849 6.151 -4.503 143 2HD1 ILE 19 HD12 ILE 19 9.167 5.722 -4.804 144 3HD1 ILE 19 HD13 ILE 19 10.064 4.918 -3.512 145 H ARG 20 HN ARG 20 7.304 10.774 -3.897 146 HA ARG 20 HA ARG 20 4.813 9.615 -2.912 147 1HB ARG 20 HB2 ARG 20 5.276 11.396 -1.319 148 2HB ARG 20 HB1 ARG 20 5.561 12.527 -2.632 149 1HG ARG 20 HG2 ARG 20 3.247 12.313 -3.319 150 2HG ARG 20 HG1 ARG 20 2.954 11.189 -1.990 151 1HD ARG 20 HD2 ARG 20 2.220 13.409 -1.364 152 2HD ARG 20 HD1 ARG 20 3.625 12.956 -0.403 153 HE ARG 20 HE ARG 20 4.471 14.385 -2.676 154 1HH1 ARG 20 HH11 ARG 20 2.912 14.868 0.471 155 2HH1 ARG 20 HH12 ARG 20 3.192 16.545 0.521 156 1HH2 ARG 20 HH21 ARG 20 4.983 16.732 -2.544 157 2HH2 ARG 20 HH22 ARG 20 4.460 17.578 -1.169 158 H ASP 21 HN ASP 21 6.401 12.137 -4.754 159 HA ASP 21 HA ASP 21 4.333 12.334 -6.739 160 1HB ASP 21 HB2 ASP 21 7.136 13.474 -6.677 161 2HB ASP 21 HB1 ASP 21 5.901 13.882 -7.857 162 H LEU 22 HN LEU 22 7.456 10.882 -6.414 163 HA LEU 22 HA LEU 22 8.455 9.160 -7.513 164 1HB LEU 22 HB2 LEU 22 5.625 8.742 -8.386 165 2HB LEU 22 HB1 LEU 22 6.899 7.806 -9.134 166 HG LEU 22 HG LEU 22 5.880 6.520 -7.444 167 1HD1 LEU 22 HD11 LEU 22 7.836 6.037 -6.012 168 2HD1 LEU 22 HD12 LEU 22 8.553 7.558 -6.582 169 3HD1 LEU 22 HD13 LEU 22 8.246 6.269 -7.717 170 1HD2 LEU 22 HD21 LEU 22 5.894 7.132 -5.074 171 2HD2 LEU 22 HD22 LEU 22 4.929 8.251 -6.039 172 3HD2 LEU 22 HD23 LEU 22 6.541 8.716 -5.495 173 H ALA 23 HN ALA 23 8.384 11.822 -8.613 174 HA ALA 23 HA ALA 23 8.061 11.588 -11.414 175 1HB ALA 23 HB1 ALA 23 8.828 13.903 -11.501 176 2HB ALA 23 HB2 ALA 23 9.307 13.815 -9.805 177 3HB ALA 23 HB3 ALA 23 7.603 13.689 -10.247 178 H GLY 24 HN GLY 24 9.458 9.887 -11.922 179 1HA GLY 24 HA2 GLY 24 11.650 9.959 -13.236 180 2HA GLY 24 HA1 GLY 24 12.266 10.574 -11.692 181 H ILE 25 HN ILE 25 10.169 8.540 -10.597 182 HA ILE 25 HA ILE 25 12.263 6.590 -10.139 183 HB ILE 25 HB ILE 25 9.513 6.796 -8.874 184 1HG1 ILE 25 HG12 ILE 25 10.915 8.748 -8.365 185 2HG1 ILE 25 HG11 ILE 25 10.642 7.757 -6.941 186 1HG2 ILE 25 HG21 ILE 25 10.404 4.523 -8.727 187 2HG2 ILE 25 HG22 ILE 25 10.400 5.290 -7.141 188 3HG2 ILE 25 HG23 ILE 25 11.908 5.145 -8.044 189 1HD1 ILE 25 HD11 ILE 25 12.869 6.804 -7.179 190 2HD1 ILE 25 HD12 ILE 25 12.924 8.560 -7.031 191 3HD1 ILE 25 HD13 ILE 25 13.146 7.799 -8.610 192 H ASN 26 HN ASN 26 12.067 4.449 -10.583 193 HA ASN 26 HA ASN 26 10.439 3.842 -12.874 194 1HB ASN 26 HB2 ASN 26 12.452 2.145 -11.374 195 2HB ASN 26 HB1 ASN 26 11.667 1.690 -12.882 196 1HD2 ASN 26 HD21 ASN 26 12.355 2.618 -14.785 197 2HD2 ASN 26 HD22 ASN 26 13.755 3.635 -14.879 198 H LEU 27 HN LEU 27 8.384 3.529 -12.385 199 HA LEU 27 HA LEU 27 7.518 2.233 -9.958 200 1HB LEU 27 HB2 LEU 27 5.937 3.191 -12.347 201 2HB LEU 27 HB1 LEU 27 5.254 2.646 -10.825 202 HG LEU 27 HG LEU 27 6.973 5.093 -11.220 203 1HD1 LEU 27 HD11 LEU 27 4.707 5.375 -12.092 204 2HD1 LEU 27 HD12 LEU 27 4.953 6.337 -10.634 205 3HD1 LEU 27 HD13 LEU 27 4.037 4.849 -10.547 206 1HD2 LEU 27 HD21 LEU 27 7.395 4.066 -9.064 207 2HD2 LEU 27 HD22 LEU 27 5.660 4.006 -8.736 208 3HD2 LEU 27 HD23 LEU 27 6.481 5.559 -8.871 209 H ASP 28 HN ASP 28 8.634 1.161 -12.804 210 HA ASP 28 HA ASP 28 6.992 -1.233 -12.970 211 1HB ASP 28 HB2 ASP 28 7.748 -0.076 -15.015 212 2HB ASP 28 HB1 ASP 28 9.418 -0.336 -14.546 213 H SER 29 HN SER 29 9.330 -0.208 -10.993 214 HA SER 29 HA SER 29 10.963 -2.608 -10.855 215 1HB SER 29 HB2 SER 29 10.917 -0.112 -9.157 216 2HB SER 29 HB1 SER 29 12.104 -1.386 -9.007 217 HG SER 29 HG SER 29 11.774 0.576 -10.874 218 H SER 30 HN SER 30 10.881 -4.057 -9.162 219 HA SER 30 HA SER 30 8.413 -4.306 -7.744 220 1HB SER 30 HB2 SER 30 11.036 -5.772 -7.451 221 2HB SER 30 HB1 SER 30 9.458 -6.366 -6.948 222 HG SER 30 HG SER 30 10.630 -6.201 -9.447 223 H LEU 31 HN LEU 31 8.454 -4.453 -5.284 224 HA LEU 31 HA LEU 31 9.706 -2.227 -4.089 225 1HB LEU 31 HB2 LEU 31 7.625 -3.541 -3.262 226 2HB LEU 31 HB1 LEU 31 8.782 -4.652 -2.557 227 HG LEU 31 HG LEU 31 9.681 -2.791 -1.198 228 1HD1 LEU 31 HD11 LEU 31 8.408 -0.705 -1.102 229 2HD1 LEU 31 HD12 LEU 31 7.380 -1.306 -2.414 230 3HD1 LEU 31 HD13 LEU 31 9.088 -0.980 -2.713 231 1HD2 LEU 31 HD21 LEU 31 6.705 -3.191 -0.978 232 2HD2 LEU 31 HD22 LEU 31 7.772 -2.603 0.299 233 3HD2 LEU 31 HD23 LEU 31 7.941 -4.253 -0.303 234 H ALA 32 HN ALA 32 10.655 -5.506 -4.564 235 HA ALA 32 HA ALA 32 12.806 -5.482 -2.770 236 1HB ALA 32 HB1 ALA 32 12.197 -7.251 -5.128 237 2HB ALA 32 HB2 ALA 32 12.053 -7.612 -3.385 238 3HB ALA 32 HB3 ALA 32 13.627 -7.456 -4.127 239 H ASP 33 HN ASP 33 12.351 -4.337 -6.030 240 HA ASP 33 HA ASP 33 15.102 -4.212 -6.769 241 1HB ASP 33 HB2 ASP 33 12.623 -2.939 -7.884 242 2HB ASP 33 HB1 ASP 33 14.203 -2.420 -8.454 243 H LEU 34 HN LEU 34 12.802 -2.173 -5.280 244 HA LEU 34 HA LEU 34 14.380 0.182 -5.000 245 1HB LEU 34 HB2 LEU 34 11.975 -0.938 -3.584 246 2HB LEU 34 HB1 LEU 34 12.719 0.550 -3.068 247 HG LEU 34 HG LEU 34 11.888 1.745 -4.945 248 1HD1 LEU 34 HD11 LEU 34 10.939 0.736 -6.927 249 2HD1 LEU 34 HD12 LEU 34 11.247 -0.879 -6.284 250 3HD1 LEU 34 HD13 LEU 34 12.596 0.171 -6.715 251 1HD2 LEU 34 HD21 LEU 34 10.178 1.155 -3.399 252 2HD2 LEU 34 HD22 LEU 34 10.004 -0.407 -4.183 253 3HD2 LEU 34 HD23 LEU 34 9.522 1.065 -5.052 254 H GLY 35 HN GLY 35 13.597 -2.576 -2.981 255 1HA GLY 35 HA2 GLY 35 15.262 -3.715 -1.729 256 2HA GLY 35 HA1 GLY 35 16.125 -2.189 -1.563 257 H LEU 36 HN LEU 36 13.250 -3.955 -0.563 258 HA LEU 36 HA LEU 36 12.787 -2.034 1.513 259 1HB LEU 36 HB2 LEU 36 10.730 -3.182 1.931 260 2HB LEU 36 HB1 LEU 36 11.015 -3.480 0.263 261 HG LEU 36 HG LEU 36 11.985 -5.767 1.007 262 1HD1 LEU 36 HD11 LEU 36 10.328 -5.065 3.433 263 2HD1 LEU 36 HD12 LEU 36 12.076 -5.308 3.416 264 3HD1 LEU 36 HD13 LEU 36 10.994 -6.658 3.068 265 1HD2 LEU 36 HD21 LEU 36 9.751 -6.730 0.962 266 2HD2 LEU 36 HD22 LEU 36 9.924 -5.441 -0.239 267 3HD2 LEU 36 HD23 LEU 36 9.065 -5.135 1.273 268 H ASP 37 HN ASP 37 14.007 -1.967 3.221 269 HA ASP 37 HA ASP 37 16.008 -3.914 3.720 270 1HB ASP 37 HB2 ASP 37 15.066 -1.704 5.545 271 2HB ASP 37 HB1 ASP 37 16.572 -2.597 5.690 272 H SER 38 HN SER 38 13.552 -2.758 5.920 273 HA SER 38 HA SER 38 12.644 -5.382 6.543 274 1HB SER 38 HB2 SER 38 14.827 -5.196 7.834 275 2HB SER 38 HB1 SER 38 14.100 -3.871 8.740 276 HG SER 38 HG SER 38 13.028 -6.497 8.558 277 H LEU 39 HN LEU 39 12.904 -1.965 7.563 278 HA LEU 39 HA LEU 39 10.477 -1.815 8.919 279 1HB LEU 39 HB2 LEU 39 12.176 -0.028 8.922 280 2HB LEU 39 HB1 LEU 39 11.742 0.357 7.265 281 HG LEU 39 HG LEU 39 9.401 0.758 8.106 282 1HD1 LEU 39 HD11 LEU 39 9.142 1.329 10.462 283 2HD1 LEU 39 HD12 LEU 39 10.782 0.757 10.771 284 3HD1 LEU 39 HD13 LEU 39 9.542 -0.373 10.222 285 1HD2 LEU 39 HD21 LEU 39 9.914 3.000 8.877 286 2HD2 LEU 39 HD22 LEU 39 10.871 2.534 7.461 287 3HD2 LEU 39 HD23 LEU 39 11.613 2.539 9.070 288 H MET 40 HN MET 40 11.202 -1.294 5.498 289 HA MET 40 HA MET 40 8.462 -0.856 4.780 290 1HB MET 40 HB2 MET 40 10.922 -1.389 3.123 291 2HB MET 40 HB1 MET 40 9.332 -1.189 2.401 292 1HG MET 40 HG2 MET 40 9.175 1.042 3.378 293 2HG MET 40 HG1 MET 40 10.769 0.840 4.097 294 1HE MET 40 HE1 MET 40 12.394 -0.638 1.839 295 2HE MET 40 HE2 MET 40 13.015 0.753 2.729 296 3HE MET 40 HE3 MET 40 13.089 0.729 0.969 297 H GLY 41 HN GLY 41 9.109 -3.278 6.190 298 1HA GLY 41 HA2 GLY 41 7.525 -5.096 4.551 299 2HA GLY 41 HA1 GLY 41 8.982 -5.699 5.351 300 H VAL 42 HN VAL 42 8.862 -4.235 7.722 301 HA VAL 42 HA VAL 42 6.855 -5.720 9.167 302 HB VAL 42 HB VAL 42 8.743 -3.596 10.235 303 1HG1 VAL 42 HG11 VAL 42 6.899 -4.062 11.740 304 2HG1 VAL 42 HG12 VAL 42 8.409 -4.688 12.405 305 3HG1 VAL 42 HG13 VAL 42 7.248 -5.789 11.668 306 1HG2 VAL 42 HG21 VAL 42 10.190 -5.444 10.939 307 2HG2 VAL 42 HG22 VAL 42 10.021 -5.352 9.188 308 3HG2 VAL 42 HG23 VAL 42 9.134 -6.582 10.097 309 H GLU 43 HN GLU 43 7.516 -2.257 8.607 310 HA GLU 43 HA GLU 43 5.308 -1.393 10.123 311 1HB GLU 43 HB2 GLU 43 7.247 0.059 9.583 312 2HB GLU 43 HB1 GLU 43 6.741 0.079 7.901 313 1HG GLU 43 HG2 GLU 43 4.719 1.232 8.468 314 2HG GLU 43 HG1 GLU 43 5.076 1.084 10.186 315 H VAL 44 HN VAL 44 5.746 -2.282 6.815 316 HA VAL 44 HA VAL 44 3.296 -1.421 5.732 317 HB VAL 44 HB VAL 44 4.916 -3.887 4.987 318 1HG1 VAL 44 HG11 VAL 44 2.831 -2.398 3.393 319 2HG1 VAL 44 HG12 VAL 44 2.653 -4.004 4.100 320 3HG1 VAL 44 HG13 VAL 44 3.821 -3.739 2.804 321 1HG2 VAL 44 HG21 VAL 44 5.879 -2.479 3.235 322 2HG2 VAL 44 HG22 VAL 44 6.233 -1.859 4.843 323 3HG2 VAL 44 HG23 VAL 44 4.983 -1.092 3.860 324 H ARG 45 HN ARG 45 4.245 -4.516 7.170 325 HA ARG 45 HA ARG 45 1.744 -5.737 7.098 326 1HB ARG 45 HB2 ARG 45 4.178 -6.144 8.781 327 2HB ARG 45 HB1 ARG 45 2.730 -7.059 9.140 328 1HG ARG 45 HG2 ARG 45 2.759 -7.956 6.856 329 2HG ARG 45 HG1 ARG 45 4.216 -7.021 6.525 330 1HD ARG 45 HD2 ARG 45 4.006 -9.065 8.724 331 2HD ARG 45 HD1 ARG 45 4.590 -9.435 7.105 332 HE ARG 45 HE ARG 45 6.157 -7.421 7.736 333 1HH1 ARG 45 HH11 ARG 45 5.252 -10.221 9.729 334 2HH1 ARG 45 HH12 ARG 45 6.748 -10.320 10.536 335 1HH2 ARG 45 HH21 ARG 45 8.334 -7.688 8.777 336 2HH2 ARG 45 HH22 ARG 45 8.526 -8.873 9.954 337 H GLN 46 HN GLN 46 3.246 -3.795 9.622 338 HA GLN 46 HA GLN 46 1.183 -4.033 11.487 339 1HB GLN 46 HB2 GLN 46 3.175 -1.805 11.114 340 2HB GLN 46 HB1 GLN 46 2.140 -1.986 12.529 341 1HG GLN 46 HG2 GLN 46 3.151 -4.139 13.013 342 2HG GLN 46 HG1 GLN 46 4.152 -4.004 11.573 343 1HE2 GLN 46 HE21 GLN 46 4.899 -4.321 14.340 344 2HE2 GLN 46 HE22 GLN 46 5.901 -2.969 14.742 345 H ILE 47 HN ILE 47 1.342 -2.037 8.661 346 HA ILE 47 HA ILE 47 -0.894 -0.405 9.466 347 HB ILE 47 HB ILE 47 0.353 -0.777 6.716 348 1HG1 ILE 47 HG12 ILE 47 0.669 1.472 8.711 349 2HG1 ILE 47 HG11 ILE 47 1.860 0.209 8.396 350 1HG2 ILE 47 HG21 ILE 47 -0.856 1.279 6.099 351 2HG2 ILE 47 HG22 ILE 47 -1.626 1.283 7.689 352 3HG2 ILE 47 HG23 ILE 47 -1.956 -0.024 6.557 353 1HD1 ILE 47 HD11 ILE 47 2.449 2.293 7.283 354 2HD1 ILE 47 HD12 ILE 47 0.913 2.277 6.420 355 3HD1 ILE 47 HD13 ILE 47 2.110 1.022 6.108 356 H LEU 48 HN LEU 48 -0.365 -2.867 6.998 357 HA LEU 48 HA LEU 48 -3.082 -2.995 6.273 358 1HB LEU 48 HB2 LEU 48 -0.726 -4.692 5.599 359 2HB LEU 48 HB1 LEU 48 -2.311 -5.178 5.067 360 HG LEU 48 HG LEU 48 -1.358 -4.098 3.245 361 1HD1 LEU 48 HD11 LEU 48 -2.676 -2.090 2.881 362 2HD1 LEU 48 HD12 LEU 48 -3.054 -2.037 4.603 363 3HD1 LEU 48 HD13 LEU 48 -3.631 -3.384 3.616 364 1HD2 LEU 48 HD21 LEU 48 -0.288 -1.893 3.317 365 2HD2 LEU 48 HD22 LEU 48 0.543 -3.061 4.342 366 3HD2 LEU 48 HD23 LEU 48 -0.516 -1.847 5.065 367 H GLU 49 HN GLU 49 -1.182 -5.154 8.317 368 HA GLU 49 HA GLU 49 -3.108 -7.175 8.707 369 1HB GLU 49 HB2 GLU 49 -0.736 -7.398 9.320 370 2HB GLU 49 HB1 GLU 49 -0.939 -6.176 10.558 371 1HG GLU 49 HG2 GLU 49 -2.748 -7.831 11.463 372 2HG GLU 49 HG1 GLU 49 -1.837 -9.008 10.516 373 H ARG 50 HN ARG 50 -2.284 -4.311 10.548 374 HA ARG 50 HA ARG 50 -4.180 -4.936 12.596 375 1HB ARG 50 HB2 ARG 50 -2.259 -2.664 12.259 376 2HB ARG 50 HB1 ARG 50 -3.332 -2.837 13.647 377 1HG ARG 50 HG2 ARG 50 -2.296 -4.907 14.268 378 2HG ARG 50 HG1 ARG 50 -1.340 -4.920 12.787 379 1HD ARG 50 HD2 ARG 50 -0.029 -4.230 14.730 380 2HD ARG 50 HD1 ARG 50 -0.133 -2.960 13.514 381 HE ARG 50 HE ARG 50 -2.165 -2.414 15.230 382 1HH1 ARG 50 HH11 ARG 50 1.271 -3.110 15.843 383 2HH1 ARG 50 HH12 ARG 50 1.472 -1.847 16.965 384 1HH2 ARG 50 HH21 ARG 50 -1.851 -0.644 16.807 385 2HH2 ARG 50 HH22 ARG 50 -0.347 -0.449 17.547 386 H GLU 51 HN GLU 51 -4.329 -3.022 9.742 387 HA GLU 51 HA GLU 51 -6.652 -1.731 10.944 388 1HB GLU 51 HB2 GLU 51 -5.024 -0.787 8.610 389 2HB GLU 51 HB1 GLU 51 -6.481 0.012 9.207 390 1HG GLU 51 HG2 GLU 51 -5.406 0.274 11.402 391 2HG GLU 51 HG1 GLU 51 -3.940 -0.446 10.744 392 H HIS 52 HN HIS 52 -5.806 -3.762 8.205 393 HA HIS 52 HA HIS 52 -8.688 -4.013 7.849 394 1HB HIS 52 HB2 HIS 52 -6.801 -3.157 5.771 395 2HB HIS 52 HB1 HIS 52 -8.001 -4.325 5.251 396 HD1 HIS 52 HD1 HIS 52 -7.574 -0.963 5.086 397 HD2 HIS 52 HD2 HIS 52 -10.671 -3.257 6.581 398 HE1 HIS 52 HE1 HIS 52 -9.579 0.562 5.144 399 HE2 HIS 52 HE2 HIS 52 -11.477 -0.978 5.715 400 H ASP 53 HN ASP 53 -6.238 -5.629 8.802 401 HA ASP 53 HA ASP 53 -5.642 -7.750 8.953 402 1HB ASP 53 HB2 ASP 53 -7.875 -8.137 9.779 403 2HB ASP 53 HB1 ASP 53 -8.532 -8.193 8.153 404 H LEU 54 HN LEU 54 -4.283 -7.071 7.186 405 HA LEU 54 HA LEU 54 -4.383 -9.094 5.075 406 1HB LEU 54 HB2 LEU 54 -3.932 -6.182 4.840 407 2HB LEU 54 HB1 LEU 54 -2.901 -7.189 3.834 408 HG LEU 54 HG LEU 54 -5.148 -8.063 2.917 409 1HD1 LEU 54 HD11 LEU 54 -6.056 -5.496 4.208 410 2HD1 LEU 54 HD12 LEU 54 -6.579 -7.120 4.653 411 3HD1 LEU 54 HD13 LEU 54 -6.991 -6.462 3.069 412 1HD2 LEU 54 HD21 LEU 54 -3.612 -6.684 1.661 413 2HD2 LEU 54 HD22 LEU 54 -4.257 -5.232 2.421 414 3HD2 LEU 54 HD23 LEU 54 -5.276 -6.193 1.347 415 H VAL 55 HN VAL 55 -2.862 -10.450 5.873 416 HA VAL 55 HA VAL 55 -0.405 -9.229 6.888 417 HB VAL 55 HB VAL 55 -1.278 -12.126 7.104 418 1HG1 VAL 55 HG11 VAL 55 0.515 -12.316 8.768 419 2HG1 VAL 55 HG12 VAL 55 0.978 -10.644 8.457 420 3HG1 VAL 55 HG13 VAL 55 1.144 -11.853 7.186 421 1HG2 VAL 55 HG21 VAL 55 -1.743 -11.631 9.461 422 2HG2 VAL 55 HG22 VAL 55 -2.764 -10.678 8.380 423 3HG2 VAL 55 HG23 VAL 55 -1.374 -9.930 9.171 424 H LEU 56 HN LEU 56 0.761 -8.772 5.108 425 HA LEU 56 HA LEU 56 1.255 -10.993 3.265 426 1HB LEU 56 HB2 LEU 56 1.983 -8.080 2.860 427 2HB LEU 56 HB1 LEU 56 2.136 -9.351 1.679 428 HG LEU 56 HG LEU 56 0.337 -8.122 0.945 429 1HD1 LEU 56 HD11 LEU 56 -0.253 -10.411 0.817 430 2HD1 LEU 56 HD12 LEU 56 -1.696 -9.471 1.228 431 3HD1 LEU 56 HD13 LEU 56 -0.861 -10.391 2.472 432 1HD2 LEU 56 HD21 LEU 56 -1.544 -7.342 2.325 433 2HD2 LEU 56 HD22 LEU 56 0.001 -6.687 2.862 434 3HD2 LEU 56 HD23 LEU 56 -0.753 -8.012 3.752 435 HA PRO 57 HA PRO 57 4.921 -11.322 5.866 436 1HB PRO 57 HB2 PRO 57 5.349 -13.669 4.203 437 2HB PRO 57 HB1 PRO 57 5.182 -13.572 5.944 438 1HG PRO 57 HG2 PRO 57 3.209 -14.607 4.483 439 2HG PRO 57 HG1 PRO 57 2.799 -13.439 5.762 440 1HD PRO 57 HD2 PRO 57 3.134 -12.927 2.826 441 2HD PRO 57 HD1 PRO 57 1.763 -12.508 3.882 442 H ILE 58 HN ILE 58 5.161 -9.890 3.236 443 HA ILE 58 HA ILE 58 6.911 -8.800 2.249 444 HB ILE 58 HB ILE 58 8.657 -10.656 3.877 445 1HG1 ILE 58 HG12 ILE 58 9.578 -8.431 4.709 446 2HG1 ILE 58 HG11 ILE 58 8.290 -7.690 3.764 447 1HG2 ILE 58 HG21 ILE 58 10.691 -9.609 3.005 448 2HG2 ILE 58 HG22 ILE 58 9.738 -8.784 1.767 449 3HG2 ILE 58 HG23 ILE 58 9.817 -10.547 1.800 450 1HD1 ILE 58 HD11 ILE 58 6.625 -8.790 5.117 451 2HD1 ILE 58 HD12 ILE 58 7.727 -7.851 6.127 452 3HD1 ILE 58 HD13 ILE 58 7.887 -9.606 6.040 453 H ARG 59 HN ARG 59 7.131 -12.261 2.086 454 HA ARG 59 HA ARG 59 8.214 -12.329 -0.494 455 1HB ARG 59 HB2 ARG 59 7.334 -14.661 -0.719 456 2HB ARG 59 HB1 ARG 59 8.223 -14.349 0.766 457 1HG ARG 59 HG2 ARG 59 5.283 -14.146 0.840 458 2HG ARG 59 HG1 ARG 59 5.988 -15.744 0.787 459 1HD ARG 59 HD2 ARG 59 6.389 -13.590 2.824 460 2HD ARG 59 HD1 ARG 59 5.696 -15.191 3.059 461 HE ARG 59 HE ARG 59 8.431 -15.266 2.168 462 1HH1 ARG 59 HH11 ARG 59 6.354 -15.445 4.997 463 2HH1 ARG 59 HH12 ARG 59 7.637 -15.510 6.123 464 1HH2 ARG 59 HH21 ARG 59 10.156 -15.504 3.630 465 2HH2 ARG 59 HH22 ARG 59 9.892 -15.601 5.328 466 H GLU 60 HN GLU 60 5.104 -11.480 0.507 467 HA GLU 60 HA GLU 60 4.161 -11.431 -2.297 468 1HB GLU 60 HB2 GLU 60 2.617 -11.305 0.304 469 2HB GLU 60 HB1 GLU 60 1.914 -11.323 -1.310 470 1HG GLU 60 HG2 GLU 60 2.695 -13.551 -1.694 471 2HG GLU 60 HG1 GLU 60 3.619 -13.533 -0.199 472 H VAL 61 HN VAL 61 5.861 -9.552 -0.510 473 HA VAL 61 HA VAL 61 4.308 -7.086 -1.014 474 HB VAL 61 HB VAL 61 6.492 -7.486 1.068 475 1HG1 VAL 61 HG11 VAL 61 6.402 -5.200 0.257 476 2HG1 VAL 61 HG12 VAL 61 5.817 -5.294 1.918 477 3HG1 VAL 61 HG13 VAL 61 4.672 -5.136 0.583 478 1HG2 VAL 61 HG21 VAL 61 4.725 -7.289 2.728 479 2HG2 VAL 61 HG22 VAL 61 4.476 -8.681 1.668 480 3HG2 VAL 61 HG23 VAL 61 3.525 -7.217 1.438 481 H ARG 62 HN ARG 62 7.417 -8.696 -1.215 482 HA ARG 62 HA ARG 62 8.999 -6.590 -2.100 483 1HB ARG 62 HB2 ARG 62 9.207 -9.521 -2.560 484 2HB ARG 62 HB1 ARG 62 10.419 -8.419 -3.158 485 1HG ARG 62 HG2 ARG 62 10.636 -7.643 -0.732 486 2HG ARG 62 HG1 ARG 62 9.678 -9.069 -0.320 487 1HD ARG 62 HD2 ARG 62 12.347 -9.013 -1.725 488 2HD ARG 62 HD1 ARG 62 12.008 -9.644 -0.115 489 HE ARG 62 HE ARG 62 10.572 -11.315 -1.277 490 1HH1 ARG 62 HH11 ARG 62 13.544 -10.013 -2.743 491 2HH1 ARG 62 HH12 ARG 62 13.617 -11.202 -3.950 492 1HH2 ARG 62 HH21 ARG 62 10.692 -12.944 -2.971 493 2HH2 ARG 62 HH22 ARG 62 11.948 -12.910 -4.088 494 H GLN 63 HN GLN 63 6.511 -8.100 -3.841 495 HA GLN 63 HA GLN 63 7.768 -7.396 -6.371 496 1HB GLN 63 HB2 GLN 63 5.350 -9.115 -5.831 497 2HB GLN 63 HB1 GLN 63 5.980 -8.789 -7.426 498 1HG GLN 63 HG2 GLN 63 6.793 -10.911 -6.923 499 2HG GLN 63 HG1 GLN 63 8.147 -9.851 -6.567 500 1HE2 GLN 63 HE21 GLN 63 5.380 -10.147 -4.438 501 2HE2 GLN 63 HE22 GLN 63 6.204 -11.057 -3.219 502 H LEU 64 HN LEU 64 5.875 -5.988 -4.137 503 HA LEU 64 HA LEU 64 3.870 -4.851 -5.822 504 1HB LEU 64 HB2 LEU 64 4.895 -3.861 -3.154 505 2HB LEU 64 HB1 LEU 64 3.424 -3.334 -3.947 506 HG LEU 64 HG LEU 64 3.961 -6.077 -2.837 507 1HD1 LEU 64 HD11 LEU 64 2.120 -3.898 -1.881 508 2HD1 LEU 64 HD12 LEU 64 3.614 -4.431 -1.107 509 3HD1 LEU 64 HD13 LEU 64 2.232 -5.524 -1.205 510 1HD2 LEU 64 HD21 LEU 64 2.520 -6.218 -4.795 511 2HD2 LEU 64 HD22 LEU 64 1.465 -4.972 -4.129 512 3HD2 LEU 64 HD23 LEU 64 1.592 -6.537 -3.330 513 H THR 65 HN THR 65 4.245 -3.404 -7.353 514 HA THR 65 HA THR 65 6.807 -2.272 -7.713 515 HB THR 65 HB THR 65 5.575 -1.412 -9.799 516 HG1 THR 65 HG1 THR 65 3.431 -1.703 -9.609 517 1HG2 THR 65 HG21 THR 65 5.671 -3.650 -10.754 518 2HG2 THR 65 HG22 THR 65 5.649 -4.304 -9.101 519 3HG2 THR 65 HG23 THR 65 7.045 -3.366 -9.655 520 H LEU 66 HN LEU 66 5.943 -1.118 -5.459 521 HA LEU 66 HA LEU 66 5.752 0.845 -4.338 522 1HB LEU 66 HB2 LEU 66 7.603 1.404 -6.043 523 2HB LEU 66 HB1 LEU 66 6.375 2.258 -6.941 524 HG LEU 66 HG LEU 66 7.803 3.767 -5.608 525 1HD1 LEU 66 HD11 LEU 66 5.535 4.489 -6.080 526 2HD1 LEU 66 HD12 LEU 66 6.055 5.054 -4.482 527 3HD1 LEU 66 HD13 LEU 66 4.979 3.662 -4.625 528 1HD2 LEU 66 HD21 LEU 66 7.651 3.774 -3.170 529 2HD2 LEU 66 HD22 LEU 66 8.321 2.261 -3.778 530 3HD2 LEU 66 HD23 LEU 66 6.646 2.325 -3.232 531 H ARG 67 HN ARG 67 4.364 1.570 -7.497 532 HA ARG 67 HA ARG 67 2.212 2.973 -6.220 533 1HB ARG 67 HB2 ARG 67 2.934 2.512 -9.081 534 2HB ARG 67 HB1 ARG 67 1.371 3.193 -8.633 535 1HG ARG 67 HG2 ARG 67 4.041 4.327 -7.838 536 2HG ARG 67 HG1 ARG 67 3.013 4.935 -9.143 537 1HD ARG 67 HD2 ARG 67 1.195 5.244 -7.465 538 2HD ARG 67 HD1 ARG 67 2.323 4.768 -6.224 539 HE ARG 67 HE ARG 67 3.130 6.847 -6.177 540 1HH1 ARG 67 HH11 ARG 67 1.668 6.443 -9.421 541 2HH1 ARG 67 HH12 ARG 67 1.839 8.077 -9.831 542 1HH2 ARG 67 HH21 ARG 67 3.230 9.183 -6.757 543 2HH2 ARG 67 HH22 ARG 67 2.685 9.621 -8.303 544 H LYS 68 HN LYS 68 2.784 -0.181 -7.040 545 HA LYS 68 HA LYS 68 0.064 -0.990 -7.366 546 1HB LYS 68 HB2 LYS 68 2.095 -2.366 -7.993 547 2HB LYS 68 HB1 LYS 68 2.345 -2.641 -6.275 548 1HG LYS 68 HG2 LYS 68 0.205 -3.762 -6.122 549 2HG LYS 68 HG1 LYS 68 -0.081 -3.461 -7.839 550 1HD LYS 68 HD2 LYS 68 1.871 -4.789 -8.410 551 2HD LYS 68 HD1 LYS 68 2.201 -5.052 -6.696 552 1HE LYS 68 HE2 LYS 68 1.101 -6.991 -7.518 553 2HE LYS 68 HE1 LYS 68 0.007 -6.063 -6.481 554 1HZ LYS 68 HZ1 LYS 68 -0.043 -5.923 -9.452 555 2HZ LYS 68 HZ2 LYS 68 -1.206 -5.279 -8.395 556 3HZ LYS 68 HZ3 LYS 68 -1.016 -6.945 -8.554 557 H LEU 69 HN LEU 69 2.050 -0.126 -4.833 558 HA LEU 69 HA LEU 69 0.651 -1.107 -2.580 559 1HB LEU 69 HB2 LEU 69 2.336 1.350 -2.896 560 2HB LEU 69 HB1 LEU 69 1.422 1.132 -1.425 561 HG LEU 69 HG LEU 69 3.697 0.467 -1.073 562 1HD1 LEU 69 HD11 LEU 69 3.405 -1.818 -0.281 563 2HD1 LEU 69 HD12 LEU 69 1.898 -1.927 -1.193 564 3HD1 LEU 69 HD13 LEU 69 2.047 -0.773 0.133 565 1HD2 LEU 69 HD21 LEU 69 4.347 -0.078 -3.363 566 2HD2 LEU 69 HD22 LEU 69 3.334 -1.520 -3.314 567 3HD2 LEU 69 HD23 LEU 69 4.745 -1.400 -2.265 568 H GLN 70 HN GLN 70 -0.135 1.702 -4.612 569 HA GLN 70 HA GLN 70 -2.386 2.247 -2.863 570 1HB GLN 70 HB2 GLN 70 -2.939 4.072 -4.618 571 2HB GLN 70 HB1 GLN 70 -1.564 4.301 -3.551 572 1HG GLN 70 HG2 GLN 70 -0.063 3.613 -5.321 573 2HG GLN 70 HG1 GLN 70 -1.435 3.341 -6.406 574 1HE2 GLN 70 HE21 GLN 70 -2.346 5.135 -7.423 575 2HE2 GLN 70 HE22 GLN 70 -1.627 6.705 -7.285 576 H GLU 71 HN GLU 71 -1.875 0.008 -4.872 577 HA GLU 71 HA GLU 71 -4.576 -0.138 -6.014 578 1HB GLU 71 HB2 GLU 71 -2.742 -0.589 -7.556 579 2HB GLU 71 HB1 GLU 71 -2.051 -1.749 -6.441 580 1HG GLU 71 HG2 GLU 71 -4.029 -3.184 -6.780 581 2HG GLU 71 HG1 GLU 71 -4.617 -2.027 -7.977 582 H MET 72 HN MET 72 -2.310 -1.604 -3.841 583 HA MET 72 HA MET 72 -4.325 -3.520 -2.893 584 1HB MET 72 HB2 MET 72 -1.323 -3.447 -2.527 585 2HB MET 72 HB1 MET 72 -2.386 -4.639 -1.790 586 1HG MET 72 HG2 MET 72 -1.922 -4.219 -4.732 587 2HG MET 72 HG1 MET 72 -1.323 -5.552 -3.745 588 1HE MET 72 HE1 MET 72 -3.825 -6.137 -1.866 589 2HE MET 72 HE2 MET 72 -2.888 -7.408 -2.651 590 3HE MET 72 HE3 MET 72 -4.647 -7.401 -2.781 591 H SER 73 HN SER 73 -4.260 -0.673 -2.310 592 HA SER 73 HA SER 73 -3.136 -0.205 0.217 593 1HB SER 73 HB2 SER 73 -4.508 1.919 -0.040 594 2HB SER 73 HB1 SER 73 -3.316 1.572 -1.281 595 HG SER 73 HG SER 73 -5.339 2.124 -2.272 596 H SER 74 HN SER 74 -6.173 -1.402 -0.882 597 HA SER 74 HA SER 74 -8.031 -2.165 0.112 598 1HB SER 74 HB2 SER 74 -6.422 -3.570 1.426 599 2HB SER 74 HB1 SER 74 -6.346 -2.307 2.647 600 HG SER 74 HG SER 74 -8.322 -4.213 2.173 601 H LYS 75 HN LYS 75 -8.812 -0.021 -0.352 602 HA LYS 75 HA LYS 75 -9.526 1.477 2.085 603 1HB LYS 75 HB2 LYS 75 -9.420 2.458 -0.782 604 2HB LYS 75 HB1 LYS 75 -9.868 3.416 0.618 605 1HG LYS 75 HG2 LYS 75 -7.615 3.293 1.478 606 2HG LYS 75 HG1 LYS 75 -7.150 2.182 0.183 607 1HD LYS 75 HD2 LYS 75 -7.734 3.942 -1.464 608 2HD LYS 75 HD1 LYS 75 -8.037 5.045 -0.123 609 1HE LYS 75 HE2 LYS 75 -5.744 4.978 0.541 610 2HE LYS 75 HE1 LYS 75 -5.401 3.659 -0.583 611 1HZ LYS 75 HZ1 LYS 75 -6.011 5.199 -2.402 612 2HZ LYS 75 HZ2 LYS 75 -4.628 5.679 -1.605 613 3HZ LYS 75 HZ3 LYS 75 -6.081 6.479 -1.308 614 H ALA 76 HN ALA 76 -11.735 2.325 2.078 615 HA ALA 76 HA ALA 76 -13.535 0.468 0.694 616 1HB ALA 76 HB1 ALA 76 -13.725 0.523 3.139 617 2HB ALA 76 HB2 ALA 76 -15.201 1.095 2.361 618 3HB ALA 76 HB3 ALA 76 -14.069 2.251 3.066 619 H GLY 77 HN GLY 77 -14.721 1.172 -0.909 620 1HA GLY 77 HA2 GLY 77 -15.234 4.077 -1.095 621 2HA GLY 77 HA1 GLY 77 -14.967 3.052 -2.503 622 H SER 78 HN SER 78 -16.770 1.837 0.168 623 HA SER 78 HA SER 78 -19.231 2.272 -1.303 624 1HB SER 78 HB2 SER 78 -19.806 -0.118 -0.476 625 2HB SER 78 HB1 SER 78 -18.749 0.069 -1.876 626 HG SER 78 HG SER 78 -18.239 -1.146 0.452 627 H ASP 79 HN ASP 79 -20.260 3.641 -0.070 628 HA ASP 79 HA ASP 79 -20.260 3.577 2.828 629 1HB ASP 79 HB2 ASP 79 -20.477 5.738 1.772 630 2HB ASP 79 HB1 ASP 79 -21.814 5.178 0.778 631 H THR 80 HN THR 80 -22.445 2.949 0.183 632 HA THR 80 HA THR 80 -24.195 1.473 1.988 633 HB THR 80 HB THR 80 -24.778 2.555 -0.790 634 HG1 THR 80 HG1 THR 80 -24.449 3.917 1.417 635 1HG2 THR 80 HG21 THR 80 -26.215 0.679 -0.077 636 2HG2 THR 80 HG22 THR 80 -27.129 2.186 -0.147 637 3HG2 THR 80 HG23 THR 80 -26.603 1.545 1.410 638 H GLU 81 HN GLU 81 -23.689 -0.590 1.912 639 HA GLU 81 HA GLU 81 -22.068 -1.732 -0.126 640 1HB GLU 81 HB2 GLU 81 -22.286 -3.831 1.114 641 2HB GLU 81 HB1 GLU 81 -21.929 -2.499 2.202 642 1HG GLU 81 HG2 GLU 81 -24.355 -2.395 2.747 643 2HG GLU 81 HG1 GLU 81 -24.580 -3.851 1.782 644 H LEU 82 HN LEU 82 -22.762 -3.890 -1.144 645 HA LEU 82 HA LEU 82 -25.069 -3.165 -2.705 646 1HB LEU 82 HB2 LEU 82 -22.976 -5.306 -3.093 647 2HB LEU 82 HB1 LEU 82 -24.349 -5.087 -4.152 648 HG LEU 82 HG LEU 82 -22.487 -4.162 -5.241 649 1HD1 LEU 82 HD11 LEU 82 -23.044 -1.805 -5.519 650 2HD1 LEU 82 HD12 LEU 82 -24.081 -1.899 -4.096 651 3HD1 LEU 82 HD13 LEU 82 -24.459 -2.860 -5.525 652 1HD2 LEU 82 HD21 LEU 82 -20.945 -3.913 -3.370 653 2HD2 LEU 82 HD22 LEU 82 -21.882 -2.551 -2.756 654 3HD2 LEU 82 HD23 LEU 82 -21.028 -2.412 -4.294 655 H ALA 83 HN ALA 83 -26.940 -4.038 -2.512 656 HA ALA 83 HA ALA 83 -27.363 -6.262 -0.700 657 1HB ALA 83 HB1 ALA 83 -29.753 -5.808 -1.093 658 2HB ALA 83 HB2 ALA 83 -29.321 -4.594 -2.296 659 3HB ALA 83 HB3 ALA 83 -28.899 -4.348 -0.601 660 H ALA 84 HN ALA 84 -26.864 -5.565 -3.918 661 HA ALA 84 HA ALA 84 -27.875 -8.031 -5.016 662 1HB ALA 84 HB1 ALA 84 -25.927 -5.968 -6.096 663 2HB ALA 84 HB2 ALA 84 -27.658 -6.039 -6.444 664 3HB ALA 84 HB3 ALA 84 -26.590 -7.318 -7.020 665 HA PRO 85 HA PRO 85 -24.776 -10.701 -3.288 666 1HB PRO 85 HB2 PRO 85 -24.664 -11.749 -6.091 667 2HB PRO 85 HB1 PRO 85 -24.758 -12.636 -4.563 668 1HG PRO 85 HG2 PRO 85 -26.928 -12.321 -6.036 669 2HG PRO 85 HG1 PRO 85 -27.009 -12.159 -4.270 670 1HD PRO 85 HD2 PRO 85 -27.108 -10.052 -6.370 671 2HD PRO 85 HD1 PRO 85 -27.893 -10.102 -4.781 672 H LYS 86 HN LYS 86 -22.933 -9.682 -2.837 673 HA LYS 86 HA LYS 86 -21.172 -8.842 -5.014 674 1HB LYS 86 HB2 LYS 86 -21.574 -7.223 -3.202 675 2HB LYS 86 HB1 LYS 86 -20.970 -8.372 -2.023 676 1HG LYS 86 HG2 LYS 86 -19.348 -6.601 -2.545 677 2HG LYS 86 HG1 LYS 86 -18.740 -8.206 -2.944 678 1HD LYS 86 HD2 LYS 86 -19.281 -7.834 -5.301 679 2HD LYS 86 HD1 LYS 86 -19.928 -6.240 -4.907 680 1HE LYS 86 HE2 LYS 86 -17.757 -5.469 -4.212 681 2HE LYS 86 HE1 LYS 86 -17.085 -7.090 -4.368 682 1HZ LYS 86 HZ1 LYS 86 -16.538 -5.637 -6.291 683 2HZ LYS 86 HZ2 LYS 86 -18.189 -5.552 -6.677 684 3HZ LYS 86 HZ3 LYS 86 -17.395 -7.013 -6.703 685 H SER 87 HN SER 87 -21.372 -11.050 -2.362 686 HA SER 87 HA SER 87 -19.460 -12.766 -3.683 687 1HB SER 87 HB2 SER 87 -18.416 -13.236 -1.361 688 2HB SER 87 HB1 SER 87 -17.958 -11.722 -2.142 689 HG SER 87 HG SER 87 -18.841 -10.664 -0.607 690 H LYS 88 HN LYS 88 -21.785 -13.373 -4.115 691 HA LYS 88 HA LYS 88 -23.512 -14.733 -3.954 692 1HB LYS 88 HB2 LYS 88 -22.166 -16.569 -3.087 693 2HB LYS 88 HB1 LYS 88 -22.142 -15.857 -1.482 694 1HG LYS 88 HG2 LYS 88 -24.476 -16.342 -1.170 695 2HG LYS 88 HG1 LYS 88 -24.634 -16.866 -2.844 696 1HD LYS 88 HD2 LYS 88 -22.850 -18.195 -0.806 697 2HD LYS 88 HD1 LYS 88 -24.483 -18.731 -1.198 698 1HE LYS 88 HE2 LYS 88 -22.184 -18.540 -3.148 699 2HE LYS 88 HE1 LYS 88 -22.771 -20.026 -2.405 700 1HZ LYS 88 HZ1 LYS 88 -23.691 -19.768 -4.618 701 2HZ LYS 88 HZ2 LYS 88 -24.324 -18.261 -4.242 702 3HZ LYS 88 HZ3 LYS 88 -24.926 -19.631 -3.473 703 H ASN 89 HN ASN 89 -22.623 -13.273 -0.923 704 HA ASN 89 HA ASN 89 -25.272 -12.049 -0.824 705 1HB ASN 89 HB2 ASN 89 -23.686 -12.936 1.626 706 2HB ASN 89 HB1 ASN 89 -25.275 -12.188 1.621 707 1HD2 ASN 89 HD21 ASN 89 -23.470 -15.066 1.215 708 2HD2 ASN 89 HD22 ASN 89 -24.775 -16.179 1.179 Start of MODEL 21 1 1H GLY 1 HT1 GLY 1 -14.568 8.542 11.697 2 2H GLY 1 HT2 GLY 1 -13.124 8.728 12.596 3 3H GLY 1 HT3 GLY 1 -13.675 7.202 12.133 4 1HA GLY 1 HA1 GLY 1 -12.881 9.270 10.204 5 2HA GLY 1 HA2 GLY 1 -11.851 7.946 10.740 6 H ASP 2 HN ASP 2 -13.970 8.920 8.425 7 HA ASP 2 HA ASP 2 -14.703 6.133 7.833 8 1HB ASP 2 HB2 ASP 2 -16.187 8.650 7.099 9 2HB ASP 2 HB1 ASP 2 -16.526 7.093 6.349 10 H GLY 3 HN GLY 3 -14.277 9.090 5.901 11 1HA GLY 3 HA2 GLY 3 -13.069 7.419 3.856 12 2HA GLY 3 HA1 GLY 3 -13.478 9.131 3.711 13 H GLU 4 HN GLU 4 -12.291 10.489 5.349 14 HA GLU 4 HA GLU 4 -9.476 10.053 4.858 15 1HB GLU 4 HB2 GLU 4 -10.951 12.415 6.058 16 2HB GLU 4 HB1 GLU 4 -9.213 12.351 5.870 17 1HG GLU 4 HG2 GLU 4 -10.165 13.679 4.111 18 2HG GLU 4 HG1 GLU 4 -9.499 12.206 3.424 19 H ALA 5 HN ALA 5 -8.718 8.603 6.177 20 HA ALA 5 HA ALA 5 -8.193 9.173 8.908 21 1HB ALA 5 HB1 ALA 5 -9.361 7.226 9.891 22 2HB ALA 5 HB2 ALA 5 -10.132 6.907 8.339 23 3HB ALA 5 HB3 ALA 5 -10.511 8.385 9.223 24 H GLN 6 HN GLN 6 -8.649 6.744 6.455 25 HA GLN 6 HA GLN 6 -6.092 5.522 7.138 26 1HB GLN 6 HB2 GLN 6 -8.373 4.275 6.734 27 2HB GLN 6 HB1 GLN 6 -7.985 4.547 5.039 28 1HG GLN 6 HG2 GLN 6 -5.840 3.421 5.379 29 2HG GLN 6 HG1 GLN 6 -6.314 3.078 7.043 30 1HE2 GLN 6 HE21 GLN 6 -5.632 1.159 5.150 31 2HE2 GLN 6 HE22 GLN 6 -7.047 0.195 4.860 32 H ARG 7 HN ARG 7 -4.576 5.255 5.317 33 HA ARG 7 HA ARG 7 -5.110 7.229 3.225 34 1HB ARG 7 HB2 ARG 7 -2.701 7.751 3.224 35 2HB ARG 7 HB1 ARG 7 -3.493 8.175 4.734 36 1HG ARG 7 HG2 ARG 7 -2.594 6.133 5.760 37 2HG ARG 7 HG1 ARG 7 -1.774 5.755 4.242 38 1HD ARG 7 HD2 ARG 7 -0.296 6.854 5.903 39 2HD ARG 7 HD1 ARG 7 -0.450 7.764 4.401 40 HE ARG 7 HE ARG 7 -2.349 8.541 6.366 41 1HH1 ARG 7 HH11 ARG 7 1.055 8.963 5.508 42 2HH1 ARG 7 HH12 ARG 7 1.161 10.559 6.101 43 1HH2 ARG 7 HH21 ARG 7 -2.232 10.728 7.148 44 2HH2 ARG 7 HH22 ARG 7 -0.796 11.633 6.981 45 H ASP 8 HN ASP 8 -3.688 6.848 1.326 46 HA ASP 8 HA ASP 8 -3.707 4.011 0.839 47 1HB ASP 8 HB2 ASP 8 -3.232 6.318 -1.047 48 2HB ASP 8 HB1 ASP 8 -3.189 4.619 -1.543 49 H LEU 9 HN LEU 9 -1.867 2.938 -0.072 50 HA LEU 9 HA LEU 9 0.079 3.213 1.885 51 1HB LEU 9 HB2 LEU 9 0.171 1.505 -0.565 52 2HB LEU 9 HB1 LEU 9 1.187 1.333 0.849 53 HG LEU 9 HG LEU 9 -1.791 0.941 0.739 54 1HD1 LEU 9 HD11 LEU 9 0.459 -0.997 1.178 55 2HD1 LEU 9 HD12 LEU 9 -0.567 -0.873 -0.256 56 3HD1 LEU 9 HD13 LEU 9 -1.264 -1.357 1.293 57 1HD2 LEU 9 HD21 LEU 9 -1.151 1.938 2.846 58 2HD2 LEU 9 HD22 LEU 9 0.100 0.710 3.070 59 3HD2 LEU 9 HD23 LEU 9 -1.606 0.250 3.070 60 H VAL 10 HN VAL 10 0.092 4.601 -1.268 61 HA VAL 10 HA VAL 10 2.933 4.979 -1.359 62 HB VAL 10 HB VAL 10 0.726 6.464 -2.844 63 1HG1 VAL 10 HG11 VAL 10 2.809 7.776 -2.829 64 2HG1 VAL 10 HG12 VAL 10 2.469 7.136 -4.437 65 3HG1 VAL 10 HG13 VAL 10 3.694 6.373 -3.424 66 1HG2 VAL 10 HG21 VAL 10 0.737 4.118 -3.310 67 2HG2 VAL 10 HG22 VAL 10 2.476 4.156 -3.608 68 3HG2 VAL 10 HG23 VAL 10 1.380 5.011 -4.701 69 H LYS 11 HN LYS 11 0.428 6.420 0.367 70 HA LYS 11 HA LYS 11 1.865 8.890 0.844 71 1HB LYS 11 HB2 LYS 11 -0.847 7.877 1.617 72 2HB LYS 11 HB1 LYS 11 -0.213 9.380 2.290 73 1HG LYS 11 HG2 LYS 11 -1.666 9.981 0.514 74 2HG LYS 11 HG1 LYS 11 -0.036 10.190 -0.113 75 1HD LYS 11 HD2 LYS 11 -0.230 7.988 -1.224 76 2HD LYS 11 HD1 LYS 11 -1.890 7.867 -0.633 77 1HE LYS 11 HE2 LYS 11 -0.818 10.018 -2.456 78 2HE LYS 11 HE1 LYS 11 -1.792 8.641 -2.960 79 1HZ LYS 11 HZ1 LYS 11 -3.595 9.493 -1.534 80 2HZ LYS 11 HZ2 LYS 11 -3.156 10.561 -2.762 81 3HZ LYS 11 HZ3 LYS 11 -2.678 10.863 -1.169 82 H ALA 12 HN ALA 12 2.279 5.928 1.841 83 HA ALA 12 HA ALA 12 3.069 6.701 4.558 84 1HB ALA 12 HB1 ALA 12 1.667 4.124 3.832 85 2HB ALA 12 HB2 ALA 12 0.954 5.467 4.728 86 3HB ALA 12 HB3 ALA 12 2.289 4.553 5.426 87 H VAL 13 HN VAL 13 3.154 3.817 2.495 88 HA VAL 13 HA VAL 13 5.594 2.763 3.342 89 HB VAL 13 HB VAL 13 4.147 2.415 0.706 90 1HG1 VAL 13 HG11 VAL 13 6.334 0.712 1.907 91 2HG1 VAL 13 HG12 VAL 13 6.454 1.738 0.476 92 3HG1 VAL 13 HG13 VAL 13 5.400 0.326 0.454 93 1HG2 VAL 13 HG21 VAL 13 3.283 0.360 1.715 94 2HG2 VAL 13 HG22 VAL 13 2.804 1.795 2.628 95 3HG2 VAL 13 HG23 VAL 13 4.109 0.761 3.221 96 H ALA 14 HN ALA 14 4.818 4.836 0.619 97 HA ALA 14 HA ALA 14 7.378 4.772 -0.522 98 1HB ALA 14 HB1 ALA 14 6.627 6.663 -1.915 99 2HB ALA 14 HB2 ALA 14 5.227 6.864 -0.837 100 3HB ALA 14 HB3 ALA 14 5.395 5.402 -1.786 101 H HIS 15 HN HIS 15 6.156 6.532 2.189 102 HA HIS 15 HA HIS 15 8.082 8.634 2.150 103 1HB HIS 15 HB2 HIS 15 6.342 7.550 4.346 104 2HB HIS 15 HB1 HIS 15 7.593 8.734 4.691 105 HD1 HIS 15 HD1 HIS 15 6.922 11.078 4.489 106 HD2 HIS 15 HD2 HIS 15 4.387 8.566 2.385 107 HE1 HIS 15 HE1 HIS 15 5.051 12.541 3.692 108 HE2 HIS 15 HE2 HIS 15 3.389 10.926 2.735 109 H ILE 16 HN ILE 16 8.232 5.329 3.085 110 HA ILE 16 HA ILE 16 10.499 5.541 4.783 111 HB ILE 16 HB ILE 16 9.541 3.162 3.140 112 1HG1 ILE 16 HG12 ILE 16 7.818 3.919 4.687 113 2HG1 ILE 16 HG11 ILE 16 8.488 2.389 5.232 114 1HG2 ILE 16 HG21 ILE 16 11.431 3.214 5.497 115 2HG2 ILE 16 HG22 ILE 16 11.858 2.862 3.822 116 3HG2 ILE 16 HG23 ILE 16 10.805 1.761 4.712 117 1HD1 ILE 16 HD11 ILE 16 9.842 3.576 6.894 118 2HD1 ILE 16 HD12 ILE 16 8.121 3.904 7.098 119 3HD1 ILE 16 HD13 ILE 16 9.166 5.110 6.345 120 H LEU 17 HN LEU 17 10.014 5.442 1.370 121 HA LEU 17 HA LEU 17 12.884 5.185 0.877 122 1HB LEU 17 HB2 LEU 17 10.568 5.257 -1.044 123 2HB LEU 17 HB1 LEU 17 12.245 5.087 -1.511 124 HG LEU 17 HG LEU 17 10.659 3.105 0.124 125 1HD1 LEU 17 HD11 LEU 17 11.669 2.991 -2.712 126 2HD1 LEU 17 HD12 LEU 17 9.988 3.181 -2.213 127 3HD1 LEU 17 HD13 LEU 17 10.852 1.690 -1.845 128 1HD2 LEU 17 HD21 LEU 17 13.019 3.151 0.760 129 2HD2 LEU 17 HD22 LEU 17 13.485 2.974 -0.932 130 3HD2 LEU 17 HD23 LEU 17 12.626 1.669 -0.112 131 H GLY 18 HN GLY 18 10.659 7.580 1.420 132 1HA GLY 18 HA2 GLY 18 11.021 9.890 1.407 133 2HA GLY 18 HA1 GLY 18 12.475 9.629 0.450 134 H ILE 19 HN ILE 19 9.365 8.295 -0.412 135 HA ILE 19 HA ILE 19 9.145 10.255 -2.534 136 HB ILE 19 HB ILE 19 8.189 8.311 -3.866 137 1HG1 ILE 19 HG12 ILE 19 10.034 6.764 -2.047 138 2HG1 ILE 19 HG11 ILE 19 8.293 6.588 -2.179 139 1HG2 ILE 19 HG21 ILE 19 10.454 7.860 -4.867 140 2HG2 ILE 19 HG22 ILE 19 11.174 8.658 -3.469 141 3HG2 ILE 19 HG23 ILE 19 10.148 9.572 -4.577 142 1HD1 ILE 19 HD11 ILE 19 8.552 5.780 -4.471 143 2HD1 ILE 19 HD12 ILE 19 9.457 4.794 -3.324 144 3HD1 ILE 19 HD13 ILE 19 10.301 5.969 -4.335 145 H ARG 20 HN ARG 20 7.080 9.825 -3.710 146 HA ARG 20 HA ARG 20 4.777 8.680 -2.850 147 1HB ARG 20 HB2 ARG 20 4.897 10.177 -0.829 148 2HB ARG 20 HB1 ARG 20 4.929 11.564 -1.907 149 1HG ARG 20 HG2 ARG 20 2.702 10.910 -2.766 150 2HG ARG 20 HG1 ARG 20 2.680 9.593 -1.602 151 1HD ARG 20 HD2 ARG 20 1.446 11.581 -0.798 152 2HD ARG 20 HD1 ARG 20 2.784 11.111 0.253 153 HE ARG 20 HE ARG 20 3.385 13.100 -1.745 154 1HH1 ARG 20 HH11 ARG 20 2.202 12.635 1.552 155 2HH1 ARG 20 HH12 ARG 20 2.845 14.071 2.164 156 1HH2 ARG 20 HH21 ARG 20 4.376 15.030 -0.913 157 2HH2 ARG 20 HH22 ARG 20 4.203 15.446 0.737 158 H ASP 21 HN ASP 21 6.381 11.491 -4.039 159 HA ASP 21 HA ASP 21 4.530 12.243 -6.018 160 1HB ASP 21 HB2 ASP 21 6.383 13.590 -6.937 161 2HB ASP 21 HB1 ASP 21 6.295 13.767 -5.189 162 H LEU 22 HN LEU 22 7.520 10.312 -6.252 163 HA LEU 22 HA LEU 22 8.130 8.614 -7.639 164 1HB LEU 22 HB2 LEU 22 5.177 8.617 -8.175 165 2HB LEU 22 HB1 LEU 22 6.232 7.650 -9.176 166 HG LEU 22 HG LEU 22 5.132 6.380 -7.428 167 1HD1 LEU 22 HD11 LEU 22 8.115 6.621 -7.106 168 2HD1 LEU 22 HD12 LEU 22 7.264 5.639 -8.295 169 3HD1 LEU 22 HD13 LEU 22 7.146 5.247 -6.576 170 1HD2 LEU 22 HD21 LEU 22 4.987 8.047 -5.670 171 2HD2 LEU 22 HD22 LEU 22 6.742 8.049 -5.505 172 3HD2 LEU 22 HD23 LEU 22 5.817 6.605 -5.082 173 H ALA 23 HN ALA 23 8.181 11.455 -8.421 174 HA ALA 23 HA ALA 23 7.522 11.560 -11.178 175 1HB ALA 23 HB1 ALA 23 7.405 13.523 -9.729 176 2HB ALA 23 HB2 ALA 23 8.451 13.794 -11.123 177 3HB ALA 23 HB3 ALA 23 9.159 13.475 -9.539 178 H GLY 24 HN GLY 24 10.033 10.195 -9.635 179 1HA GLY 24 HA2 GLY 24 11.438 9.838 -12.132 180 2HA GLY 24 HA1 GLY 24 12.376 10.665 -10.886 181 H ILE 25 HN ILE 25 10.030 8.075 -10.550 182 HA ILE 25 HA ILE 25 12.190 6.303 -9.637 183 HB ILE 25 HB ILE 25 9.410 6.539 -8.402 184 1HG1 ILE 25 HG12 ILE 25 10.875 8.444 -7.804 185 2HG1 ILE 25 HG11 ILE 25 10.454 7.448 -6.418 186 1HG2 ILE 25 HG21 ILE 25 11.741 4.814 -7.550 187 2HG2 ILE 25 HG22 ILE 25 10.237 4.249 -8.278 188 3HG2 ILE 25 HG23 ILE 25 10.219 4.983 -6.674 189 1HD1 ILE 25 HD11 ILE 25 12.652 6.395 -6.517 190 2HD1 ILE 25 HD12 ILE 25 12.769 8.146 -6.330 191 3HD1 ILE 25 HD13 ILE 25 13.073 7.401 -7.906 192 H ASN 26 HN ASN 26 11.715 4.069 -10.033 193 HA ASN 26 HA ASN 26 10.150 3.657 -12.426 194 1HB ASN 26 HB2 ASN 26 11.887 1.813 -10.790 195 2HB ASN 26 HB1 ASN 26 10.908 1.239 -12.129 196 1HD2 ASN 26 HD21 ASN 26 13.803 1.279 -11.709 197 2HD2 ASN 26 HD22 ASN 26 14.472 2.053 -13.081 198 H LEU 27 HN LEU 27 8.300 2.589 -12.593 199 HA LEU 27 HA LEU 27 6.938 1.859 -10.105 200 1HB LEU 27 HB2 LEU 27 5.852 2.482 -12.854 201 2HB LEU 27 HB1 LEU 27 4.882 2.040 -11.463 202 HG LEU 27 HG LEU 27 6.575 4.535 -11.662 203 1HD1 LEU 27 HD11 LEU 27 4.446 5.709 -11.856 204 2HD1 LEU 27 HD12 LEU 27 3.588 4.170 -11.882 205 3HD1 LEU 27 HD13 LEU 27 4.683 4.593 -13.199 206 1HD2 LEU 27 HD21 LEU 27 5.431 5.200 -9.635 207 2HD2 LEU 27 HD22 LEU 27 6.259 3.663 -9.360 208 3HD2 LEU 27 HD23 LEU 27 4.511 3.708 -9.627 209 H ASP 28 HN ASP 28 8.589 0.563 -12.649 210 HA ASP 28 HA ASP 28 6.940 -1.852 -12.843 211 1HB ASP 28 HB2 ASP 28 7.777 -0.825 -14.937 212 2HB ASP 28 HB1 ASP 28 9.427 -1.110 -14.401 213 H SER 29 HN SER 29 9.745 -0.736 -11.277 214 HA SER 29 HA SER 29 11.081 -3.235 -10.994 215 1HB SER 29 HB2 SER 29 11.388 -0.683 -9.430 216 2HB SER 29 HB1 SER 29 12.562 -1.994 -9.572 217 HG SER 29 HG SER 29 13.234 -0.664 -11.048 218 H SER 30 HN SER 30 11.123 -4.565 -9.205 219 HA SER 30 HA SER 30 8.879 -4.728 -7.526 220 1HB SER 30 HB2 SER 30 11.627 -5.939 -7.308 221 2HB SER 30 HB1 SER 30 10.239 -6.492 -6.390 222 HG SER 30 HG SER 30 10.974 -6.871 -9.005 223 H LEU 31 HN LEU 31 8.712 -4.283 -5.316 224 HA LEU 31 HA LEU 31 9.800 -1.961 -4.291 225 1HB LEU 31 HB2 LEU 31 7.686 -3.180 -3.611 226 2HB LEU 31 HB1 LEU 31 8.689 -4.281 -2.696 227 HG LEU 31 HG LEU 31 9.389 -2.404 -1.238 228 1HD1 LEU 31 HD11 LEU 31 8.211 -0.298 -1.414 229 2HD1 LEU 31 HD12 LEU 31 7.362 -0.914 -2.841 230 3HD1 LEU 31 HD13 LEU 31 9.113 -0.642 -2.904 231 1HD2 LEU 31 HD21 LEU 31 7.250 -2.098 -0.123 232 2HD2 LEU 31 HD22 LEU 31 7.470 -3.774 -0.625 233 3HD2 LEU 31 HD23 LEU 31 6.410 -2.708 -1.546 234 H ALA 32 HN ALA 32 10.931 -5.183 -4.202 235 HA ALA 32 HA ALA 32 12.783 -4.905 -2.108 236 1HB ALA 32 HB1 ALA 32 13.810 -6.969 -2.944 237 2HB ALA 32 HB2 ALA 32 12.864 -6.830 -4.425 238 3HB ALA 32 HB3 ALA 32 12.053 -7.101 -2.884 239 H ASP 33 HN ASP 33 12.857 -4.192 -5.490 240 HA ASP 33 HA ASP 33 15.683 -3.919 -5.703 241 1HB ASP 33 HB2 ASP 33 14.355 -4.504 -7.664 242 2HB ASP 33 HB1 ASP 33 13.440 -3.008 -7.525 243 H LEU 34 HN LEU 34 12.958 -1.994 -4.980 244 HA LEU 34 HA LEU 34 14.088 0.597 -5.257 245 1HB LEU 34 HB2 LEU 34 11.816 -0.210 -3.477 246 2HB LEU 34 HB1 LEU 34 12.117 1.362 -4.182 247 HG LEU 34 HG LEU 34 11.338 -1.115 -5.704 248 1HD1 LEU 34 HD11 LEU 34 9.206 -0.049 -5.970 249 2HD1 LEU 34 HD12 LEU 34 9.761 1.322 -4.989 250 3HD1 LEU 34 HD13 LEU 34 9.627 -0.288 -4.270 251 1HD2 LEU 34 HD21 LEU 34 10.985 0.361 -7.555 252 2HD2 LEU 34 HD22 LEU 34 12.680 0.391 -7.044 253 3HD2 LEU 34 HD23 LEU 34 11.594 1.737 -6.628 254 H GLY 35 HN GLY 35 13.513 -1.573 -2.505 255 1HA GLY 35 HA2 GLY 35 15.828 -1.012 -1.128 256 2HA GLY 35 HA1 GLY 35 14.723 0.253 -0.642 257 H LEU 36 HN LEU 36 12.848 -2.499 -1.154 258 HA LEU 36 HA LEU 36 12.802 -2.899 1.667 259 1HB LEU 36 HB2 LEU 36 10.686 -2.944 1.137 260 2HB LEU 36 HB1 LEU 36 10.846 -3.537 -0.470 261 HG LEU 36 HG LEU 36 11.206 -5.845 0.594 262 1HD1 LEU 36 HD11 LEU 36 11.829 -5.157 2.814 263 2HD1 LEU 36 HD12 LEU 36 10.384 -6.171 2.860 264 3HD1 LEU 36 HD13 LEU 36 10.244 -4.422 3.053 265 1HD2 LEU 36 HD21 LEU 36 9.126 -5.192 -0.433 266 2HD2 LEU 36 HD22 LEU 36 8.591 -4.455 1.074 267 3HD2 LEU 36 HD23 LEU 36 8.840 -6.201 0.983 268 H ASP 37 HN ASP 37 14.287 -3.913 2.508 269 HA ASP 37 HA ASP 37 14.843 -6.647 1.602 270 1HB ASP 37 HB2 ASP 37 16.971 -6.525 2.734 271 2HB ASP 37 HB1 ASP 37 16.835 -5.098 1.721 272 H SER 38 HN SER 38 13.902 -4.567 4.298 273 HA SER 38 HA SER 38 12.783 -6.839 5.633 274 1HB SER 38 HB2 SER 38 14.022 -6.300 7.791 275 2HB SER 38 HB1 SER 38 14.965 -7.081 6.523 276 HG SER 38 HG SER 38 15.994 -5.182 6.085 277 H LEU 39 HN LEU 39 13.757 -3.542 6.615 278 HA LEU 39 HA LEU 39 11.676 -3.058 8.348 279 1HB LEU 39 HB2 LEU 39 13.633 -1.616 8.239 280 2HB LEU 39 HB1 LEU 39 13.096 -0.980 6.695 281 HG LEU 39 HG LEU 39 11.003 -0.206 7.885 282 1HD1 LEU 39 HD11 LEU 39 11.122 -1.556 9.857 283 2HD1 LEU 39 HD12 LEU 39 11.136 0.152 10.296 284 3HD1 LEU 39 HD13 LEU 39 12.631 -0.781 10.338 285 1HD2 LEU 39 HD21 LEU 39 12.039 1.808 8.764 286 2HD2 LEU 39 HD22 LEU 39 12.720 1.343 7.208 287 3HD2 LEU 39 HD23 LEU 39 13.628 1.035 8.698 288 H MET 40 HN MET 40 11.699 -2.364 4.883 289 HA MET 40 HA MET 40 9.269 -0.899 4.851 290 1HB MET 40 HB2 MET 40 10.469 -2.532 2.648 291 2HB MET 40 HB1 MET 40 9.123 -1.415 2.477 292 1HG MET 40 HG2 MET 40 10.655 0.386 3.326 293 2HG MET 40 HG1 MET 40 11.968 -0.781 3.175 294 1HE MET 40 HE1 MET 40 9.272 1.334 1.342 295 2HE MET 40 HE2 MET 40 8.801 -0.310 0.910 296 3HE MET 40 HE3 MET 40 9.432 0.779 -0.326 297 H GLY 41 HN GLY 41 9.794 -4.323 4.689 298 1HA GLY 41 HA2 GLY 41 7.067 -4.891 4.061 299 2HA GLY 41 HA1 GLY 41 8.262 -6.044 4.657 300 H VAL 42 HN VAL 42 8.925 -4.488 6.956 301 HA VAL 42 HA VAL 42 6.968 -5.417 8.792 302 HB VAL 42 HB VAL 42 9.200 -3.406 9.196 303 1HG1 VAL 42 HG11 VAL 42 7.618 -4.949 11.242 304 2HG1 VAL 42 HG12 VAL 42 7.567 -3.209 10.922 305 3HG1 VAL 42 HG13 VAL 42 9.032 -3.937 11.575 306 1HG2 VAL 42 HG21 VAL 42 10.069 -5.537 8.433 307 2HG2 VAL 42 HG22 VAL 42 9.173 -6.378 9.697 308 3HG2 VAL 42 HG23 VAL 42 10.485 -5.279 10.127 309 H GLU 43 HN GLU 43 7.896 -2.235 7.653 310 HA GLU 43 HA GLU 43 6.063 -0.708 9.057 311 1HB GLU 43 HB2 GLU 43 8.049 0.048 7.745 312 2HB GLU 43 HB1 GLU 43 7.102 -0.188 6.286 313 1HG GLU 43 HG2 GLU 43 7.210 2.092 7.010 314 2HG GLU 43 HG1 GLU 43 5.539 1.511 6.981 315 H VAL 44 HN VAL 44 5.869 -2.309 5.930 316 HA VAL 44 HA VAL 44 3.309 -1.405 5.132 317 HB VAL 44 HB VAL 44 4.885 -3.874 4.298 318 1HG1 VAL 44 HG11 VAL 44 3.411 -4.045 2.393 319 2HG1 VAL 44 HG12 VAL 44 2.404 -2.742 3.044 320 3HG1 VAL 44 HG13 VAL 44 2.524 -4.289 3.905 321 1HG2 VAL 44 HG21 VAL 44 5.891 -1.778 3.684 322 2HG2 VAL 44 HG22 VAL 44 4.389 -1.248 2.915 323 3HG2 VAL 44 HG23 VAL 44 5.294 -2.620 2.258 324 H ARG 45 HN ARG 45 4.360 -4.356 6.770 325 HA ARG 45 HA ARG 45 1.859 -5.564 6.955 326 1HB ARG 45 HB2 ARG 45 4.314 -5.858 8.641 327 2HB ARG 45 HB1 ARG 45 2.870 -6.805 8.949 328 1HG ARG 45 HG2 ARG 45 2.978 -7.663 6.651 329 2HG ARG 45 HG1 ARG 45 4.462 -6.742 6.408 330 1HD ARG 45 HD2 ARG 45 4.060 -8.874 8.484 331 2HD ARG 45 HD1 ARG 45 4.854 -9.113 6.930 332 HE ARG 45 HE ARG 45 6.205 -7.073 7.992 333 1HH1 ARG 45 HH11 ARG 45 5.263 -10.218 9.301 334 2HH1 ARG 45 HH12 ARG 45 6.649 -10.477 10.235 335 1HH2 ARG 45 HH21 ARG 45 8.232 -7.408 9.294 336 2HH2 ARG 45 HH22 ARG 45 8.430 -8.839 10.172 337 H GLN 46 HN GLN 46 3.426 -3.349 9.186 338 HA GLN 46 HA GLN 46 1.405 -3.505 11.172 339 1HB GLN 46 HB2 GLN 46 3.278 -1.202 10.575 340 2HB GLN 46 HB1 GLN 46 2.370 -1.422 12.061 341 1HG GLN 46 HG2 GLN 46 3.669 -3.289 12.683 342 2HG GLN 46 HG1 GLN 46 4.386 -3.403 11.080 343 1HE2 GLN 46 HE21 GLN 46 4.747 -0.489 10.906 344 2HE2 GLN 46 HE22 GLN 46 6.087 -0.119 11.916 345 H ILE 47 HN ILE 47 1.360 -2.092 8.128 346 HA ILE 47 HA ILE 47 -0.792 -0.260 8.787 347 HB ILE 47 HB ILE 47 0.385 -0.978 6.070 348 1HG1 ILE 47 HG12 ILE 47 0.866 1.489 7.753 349 2HG1 ILE 47 HG11 ILE 47 1.989 0.143 7.608 350 1HG2 ILE 47 HG21 ILE 47 -0.757 1.058 5.291 351 2HG2 ILE 47 HG22 ILE 47 -1.471 1.259 6.895 352 3HG2 ILE 47 HG23 ILE 47 -1.890 -0.143 5.909 353 1HD1 ILE 47 HD11 ILE 47 1.100 1.962 5.374 354 2HD1 ILE 47 HD12 ILE 47 2.217 0.605 5.217 355 3HD1 ILE 47 HD13 ILE 47 2.661 2.000 6.199 356 H LEU 48 HN LEU 48 -0.303 -2.846 6.417 357 HA LEU 48 HA LEU 48 -3.040 -3.158 5.904 358 1HB LEU 48 HB2 LEU 48 -0.701 -4.893 5.223 359 2HB LEU 48 HB1 LEU 48 -2.317 -5.364 4.776 360 HG LEU 48 HG LEU 48 -1.367 -4.389 2.868 361 1HD1 LEU 48 HD11 LEU 48 -3.641 -3.708 3.218 362 2HD1 LEU 48 HD12 LEU 48 -2.730 -2.416 2.431 363 3HD1 LEU 48 HD13 LEU 48 -3.102 -2.310 4.152 364 1HD2 LEU 48 HD21 LEU 48 0.524 -3.254 3.888 365 2HD2 LEU 48 HD22 LEU 48 -0.555 -2.032 4.560 366 3HD2 LEU 48 HD23 LEU 48 -0.345 -2.162 2.812 367 H GLU 49 HN GLU 49 -0.984 -5.017 8.091 368 HA GLU 49 HA GLU 49 -2.888 -7.049 8.622 369 1HB GLU 49 HB2 GLU 49 -0.506 -7.390 8.943 370 2HB GLU 49 HB1 GLU 49 -0.458 -6.130 10.157 371 1HG GLU 49 HG2 GLU 49 -1.943 -7.554 11.571 372 2HG GLU 49 HG1 GLU 49 -1.756 -8.834 10.367 373 H ARG 50 HN ARG 50 -2.453 -3.893 9.716 374 HA ARG 50 HA ARG 50 -3.979 -4.270 12.176 375 1HB ARG 50 HB2 ARG 50 -1.891 -3.142 12.379 376 2HB ARG 50 HB1 ARG 50 -2.295 -2.046 11.078 377 1HG ARG 50 HG2 ARG 50 -3.953 -0.973 12.484 378 2HG ARG 50 HG1 ARG 50 -3.597 -2.116 13.791 379 1HD ARG 50 HD2 ARG 50 -1.351 -1.347 13.957 380 2HD ARG 50 HD1 ARG 50 -1.513 -0.375 12.503 381 HE ARG 50 HE ARG 50 -3.402 0.588 14.245 382 1HH1 ARG 50 HH11 ARG 50 0.105 0.128 14.477 383 2HH1 ARG 50 HH12 ARG 50 0.375 1.555 15.356 384 1HH2 ARG 50 HH21 ARG 50 -3.058 2.512 15.372 385 2HH2 ARG 50 HH22 ARG 50 -1.465 3.017 15.813 386 H GLU 51 HN GLU 51 -4.107 -2.548 9.081 387 HA GLU 51 HA GLU 51 -6.528 -1.216 9.876 388 1HB GLU 51 HB2 GLU 51 -5.117 -1.157 7.224 389 2HB GLU 51 HB1 GLU 51 -6.429 -0.099 7.732 390 1HG GLU 51 HG2 GLU 51 -4.974 0.678 9.602 391 2HG GLU 51 HG1 GLU 51 -3.659 -0.235 8.867 392 H HIS 52 HN HIS 52 -5.643 -3.724 7.506 393 HA HIS 52 HA HIS 52 -8.552 -4.034 7.031 394 1HB HIS 52 HB2 HIS 52 -7.037 -3.155 5.136 395 2HB HIS 52 HB1 HIS 52 -6.408 -4.790 5.046 396 HD1 HIS 52 HD1 HIS 52 -7.984 -6.606 3.914 397 HD2 HIS 52 HD2 HIS 52 -9.655 -2.800 4.182 398 HE1 HIS 52 HE1 HIS 52 -9.922 -6.612 2.376 399 HE2 HIS 52 HE2 HIS 52 -10.654 -4.215 2.294 400 H ASP 53 HN ASP 53 -6.258 -5.371 8.738 401 HA ASP 53 HA ASP 53 -5.749 -7.433 9.643 402 1HB ASP 53 HB2 ASP 53 -8.284 -8.376 8.249 403 2HB ASP 53 HB1 ASP 53 -7.382 -9.310 9.427 404 H LEU 54 HN LEU 54 -4.960 -6.646 6.921 405 HA LEU 54 HA LEU 54 -4.883 -9.107 5.390 406 1HB LEU 54 HB2 LEU 54 -5.497 -7.094 4.299 407 2HB LEU 54 HB1 LEU 54 -4.032 -6.295 4.805 408 HG LEU 54 HG LEU 54 -2.731 -7.815 3.353 409 1HD1 LEU 54 HD11 LEU 54 -3.905 -9.246 1.756 410 2HD1 LEU 54 HD12 LEU 54 -5.447 -8.837 2.504 411 3HD1 LEU 54 HD13 LEU 54 -4.243 -9.751 3.412 412 1HD2 LEU 54 HD21 LEU 54 -3.500 -6.842 1.257 413 2HD2 LEU 54 HD22 LEU 54 -3.538 -5.666 2.589 414 3HD2 LEU 54 HD23 LEU 54 -5.029 -6.432 2.048 415 H VAL 55 HN VAL 55 -3.332 -10.490 5.830 416 HA VAL 55 HA VAL 55 -0.798 -9.542 6.869 417 HB VAL 55 HB VAL 55 -1.744 -12.389 6.392 418 1HG1 VAL 55 HG11 VAL 55 0.158 -13.052 7.809 419 2HG1 VAL 55 HG12 VAL 55 0.672 -11.367 7.891 420 3HG1 VAL 55 HG13 VAL 55 0.698 -12.219 6.351 421 1HG2 VAL 55 HG21 VAL 55 -2.029 -12.494 8.832 422 2HG2 VAL 55 HG22 VAL 55 -3.068 -11.261 8.112 423 3HG2 VAL 55 HG23 VAL 55 -1.591 -10.789 8.950 424 H LEU 56 HN LEU 56 0.447 -8.739 5.363 425 HA LEU 56 HA LEU 56 0.982 -10.335 2.949 426 1HB LEU 56 HB2 LEU 56 1.336 -7.385 3.404 427 2HB LEU 56 HB1 LEU 56 1.846 -8.230 1.973 428 HG LEU 56 HG LEU 56 -1.037 -7.955 2.827 429 1HD1 LEU 56 HD11 LEU 56 -0.059 -5.808 2.165 430 2HD1 LEU 56 HD12 LEU 56 -1.208 -6.387 0.964 431 3HD1 LEU 56 HD13 LEU 56 0.526 -6.535 0.668 432 1HD2 LEU 56 HD21 LEU 56 -1.500 -8.816 0.593 433 2HD2 LEU 56 HD22 LEU 56 -0.562 -9.973 1.536 434 3HD2 LEU 56 HD23 LEU 56 0.229 -8.997 0.299 435 HA PRO 57 HA PRO 57 4.874 -10.570 5.288 436 1HB PRO 57 HB2 PRO 57 5.393 -12.768 3.444 437 2HB PRO 57 HB1 PRO 57 5.291 -12.819 5.213 438 1HG PRO 57 HG2 PRO 57 3.414 -13.947 3.646 439 2HG PRO 57 HG1 PRO 57 2.990 -13.157 5.180 440 1HD PRO 57 HD2 PRO 57 2.795 -12.116 2.380 441 2HD PRO 57 HD1 PRO 57 1.603 -12.027 3.698 442 H ILE 58 HN ILE 58 7.187 -10.576 4.491 443 HA ILE 58 HA ILE 58 7.509 -8.650 2.456 444 HB ILE 58 HB ILE 58 9.514 -10.362 3.973 445 1HG1 ILE 58 HG12 ILE 58 10.275 -8.131 4.866 446 2HG1 ILE 58 HG11 ILE 58 8.935 -7.397 4.002 447 1HG2 ILE 58 HG21 ILE 58 10.506 -10.043 1.804 448 2HG2 ILE 58 HG22 ILE 58 11.361 -9.084 3.012 449 3HG2 ILE 58 HG23 ILE 58 10.234 -8.304 1.901 450 1HD1 ILE 58 HD11 ILE 58 7.368 -8.670 5.396 451 2HD1 ILE 58 HD12 ILE 58 8.440 -7.661 6.362 452 3HD1 ILE 58 HD13 ILE 58 8.730 -9.397 6.251 453 H ARG 59 HN ARG 59 7.438 -12.037 2.478 454 HA ARG 59 HA ARG 59 8.734 -12.649 0.062 455 1HB ARG 59 HB2 ARG 59 6.401 -14.135 1.311 456 2HB ARG 59 HB1 ARG 59 7.395 -14.745 0.009 457 1HG ARG 59 HG2 ARG 59 8.260 -15.848 1.846 458 2HG ARG 59 HG1 ARG 59 9.349 -14.473 1.717 459 1HD ARG 59 HD2 ARG 59 7.965 -13.310 3.450 460 2HD ARG 59 HD1 ARG 59 7.020 -14.782 3.619 461 HE ARG 59 HE ARG 59 9.899 -14.968 3.992 462 1HH1 ARG 59 HH11 ARG 59 6.657 -15.181 5.477 463 2HH1 ARG 59 HH12 ARG 59 7.237 -15.491 7.029 464 1HH2 ARG 59 HH21 ARG 59 10.684 -15.472 6.201 465 2HH2 ARG 59 HH22 ARG 59 9.549 -15.647 7.443 466 H GLU 60 HN GLU 60 5.601 -11.286 0.680 467 HA GLU 60 HA GLU 60 4.892 -11.523 -2.150 468 1HB GLU 60 HB2 GLU 60 3.225 -10.883 0.273 469 2HB GLU 60 HB1 GLU 60 2.618 -10.798 -1.375 470 1HG GLU 60 HG2 GLU 60 3.115 -13.171 -1.671 471 2HG GLU 60 HG1 GLU 60 3.694 -13.248 -0.009 472 H VAL 61 HN VAL 61 5.217 -9.224 0.498 473 HA VAL 61 HA VAL 61 4.454 -6.921 -0.871 474 HB VAL 61 HB VAL 61 6.426 -7.118 1.442 475 1HG1 VAL 61 HG11 VAL 61 6.533 -4.934 0.354 476 2HG1 VAL 61 HG12 VAL 61 5.790 -4.818 1.952 477 3HG1 VAL 61 HG13 VAL 61 4.782 -4.771 0.505 478 1HG2 VAL 61 HG21 VAL 61 4.293 -8.134 1.968 479 2HG2 VAL 61 HG22 VAL 61 3.452 -6.677 1.441 480 3HG2 VAL 61 HG23 VAL 61 4.505 -6.626 2.854 481 H ARG 62 HN ARG 62 7.492 -8.637 -0.949 482 HA ARG 62 HA ARG 62 9.054 -6.566 -1.959 483 1HB ARG 62 HB2 ARG 62 9.388 -9.479 -1.815 484 2HB ARG 62 HB1 ARG 62 10.355 -8.642 -3.023 485 1HG ARG 62 HG2 ARG 62 11.163 -7.122 -1.256 486 2HG ARG 62 HG1 ARG 62 10.283 -8.094 -0.075 487 1HD ARG 62 HD2 ARG 62 11.669 -9.911 -0.305 488 2HD ARG 62 HD1 ARG 62 12.183 -9.448 -1.929 489 HE ARG 62 HE ARG 62 13.116 -7.472 -0.267 490 1HH1 ARG 62 HH11 ARG 62 13.579 -11.007 -0.381 491 2HH1 ARG 62 HH12 ARG 62 15.237 -10.911 -0.020 492 1HH2 ARG 62 HH21 ARG 62 15.440 -7.389 0.150 493 2HH2 ARG 62 HH22 ARG 62 16.304 -8.849 0.243 494 H GLN 63 HN GLN 63 6.603 -8.312 -3.638 495 HA GLN 63 HA GLN 63 7.823 -7.467 -6.158 496 1HB GLN 63 HB2 GLN 63 5.550 -9.422 -5.803 497 2HB GLN 63 HB1 GLN 63 6.194 -8.892 -7.340 498 1HG GLN 63 HG2 GLN 63 7.173 -10.970 -7.012 499 2HG GLN 63 HG1 GLN 63 8.427 -9.825 -6.554 500 1HE2 GLN 63 HE21 GLN 63 5.633 -10.718 -4.630 501 2HE2 GLN 63 HE22 GLN 63 6.528 -11.496 -3.373 502 H LEU 64 HN LEU 64 5.972 -6.182 -3.991 503 HA LEU 64 HA LEU 64 3.988 -5.048 -5.730 504 1HB LEU 64 HB2 LEU 64 5.062 -3.880 -3.144 505 2HB LEU 64 HB1 LEU 64 3.562 -3.451 -3.935 506 HG LEU 64 HG LEU 64 4.214 -5.993 -2.502 507 1HD1 LEU 64 HD11 LEU 64 2.380 -5.332 -1.010 508 2HD1 LEU 64 HD12 LEU 64 2.222 -3.823 -1.911 509 3HD1 LEU 64 HD13 LEU 64 3.705 -4.171 -1.023 510 1HD2 LEU 64 HD21 LEU 64 1.682 -5.294 -3.996 511 2HD2 LEU 64 HD22 LEU 64 1.897 -6.707 -2.963 512 3HD2 LEU 64 HD23 LEU 64 2.848 -6.540 -4.439 513 H THR 65 HN THR 65 4.237 -2.729 -6.494 514 HA THR 65 HA THR 65 7.082 -2.252 -6.889 515 HB THR 65 HB THR 65 6.353 -0.868 -8.824 516 HG1 THR 65 HG1 THR 65 3.909 -1.694 -9.257 517 1HG2 THR 65 HG21 THR 65 5.277 -3.707 -8.793 518 2HG2 THR 65 HG22 THR 65 6.943 -3.255 -9.102 519 3HG2 THR 65 HG23 THR 65 5.681 -2.779 -10.242 520 H LEU 66 HN LEU 66 4.812 0.184 -7.356 521 HA LEU 66 HA LEU 66 5.299 1.242 -4.714 522 1HB LEU 66 HB2 LEU 66 7.077 2.062 -6.545 523 2HB LEU 66 HB1 LEU 66 5.795 3.208 -6.899 524 HG LEU 66 HG LEU 66 7.378 4.222 -5.373 525 1HD1 LEU 66 HD11 LEU 66 5.919 4.817 -3.515 526 2HD1 LEU 66 HD12 LEU 66 4.870 3.455 -3.951 527 3HD1 LEU 66 HD13 LEU 66 5.056 4.812 -5.066 528 1HD2 LEU 66 HD21 LEU 66 7.789 3.320 -3.143 529 2HD2 LEU 66 HD22 LEU 66 8.313 2.197 -4.396 530 3HD2 LEU 66 HD23 LEU 66 6.804 1.909 -3.528 531 H ARG 67 HN ARG 67 3.973 2.144 -7.905 532 HA ARG 67 HA ARG 67 1.753 3.303 -6.523 533 1HB ARG 67 HB2 ARG 67 2.216 2.930 -9.478 534 2HB ARG 67 HB1 ARG 67 0.745 3.636 -8.822 535 1HG ARG 67 HG2 ARG 67 3.544 4.726 -8.498 536 2HG ARG 67 HG1 ARG 67 2.291 5.367 -9.561 537 1HD ARG 67 HD2 ARG 67 0.898 5.806 -7.539 538 2HD ARG 67 HD1 ARG 67 2.243 5.268 -6.545 539 HE ARG 67 HE ARG 67 3.528 7.165 -7.437 540 1HH1 ARG 67 HH11 ARG 67 0.011 7.308 -7.527 541 2HH1 ARG 67 HH12 ARG 67 -0.091 8.975 -7.731 542 1HH2 ARG 67 HH21 ARG 67 3.425 9.566 -7.689 543 2HH2 ARG 67 HH22 ARG 67 1.897 10.266 -7.822 544 H LYS 68 HN LYS 68 2.538 0.191 -7.340 545 HA LYS 68 HA LYS 68 -0.102 -0.833 -7.533 546 1HB LYS 68 HB2 LYS 68 1.874 -2.158 -8.228 547 2HB LYS 68 HB1 LYS 68 2.429 -2.201 -6.563 548 1HG LYS 68 HG2 LYS 68 0.493 -3.502 -5.915 549 2HG LYS 68 HG1 LYS 68 -0.139 -3.404 -7.559 550 1HD LYS 68 HD2 LYS 68 1.719 -4.661 -8.402 551 2HD LYS 68 HD1 LYS 68 2.500 -4.631 -6.818 552 1HE LYS 68 HE2 LYS 68 0.695 -5.931 -5.875 553 2HE LYS 68 HE1 LYS 68 -0.162 -5.903 -7.412 554 1HZ LYS 68 HZ1 LYS 68 1.375 -7.342 -8.371 555 2HZ LYS 68 HZ2 LYS 68 1.157 -7.957 -6.809 556 3HZ LYS 68 HZ3 LYS 68 2.546 -7.109 -7.184 557 H LEU 69 HN LEU 69 1.813 0.426 -5.006 558 HA LEU 69 HA LEU 69 0.581 -0.852 -2.810 559 1HB LEU 69 HB2 LEU 69 2.193 1.667 -3.083 560 2HB LEU 69 HB1 LEU 69 1.387 1.315 -1.577 561 HG LEU 69 HG LEU 69 3.736 0.712 -1.475 562 1HD1 LEU 69 HD11 LEU 69 3.536 -1.595 -0.710 563 2HD1 LEU 69 HD12 LEU 69 1.957 -1.699 -1.487 564 3HD1 LEU 69 HD13 LEU 69 2.208 -0.581 -0.147 565 1HD2 LEU 69 HD21 LEU 69 3.160 -1.231 -3.711 566 2HD2 LEU 69 HD22 LEU 69 4.670 -1.122 -2.803 567 3HD2 LEU 69 HD23 LEU 69 4.155 0.220 -3.826 568 H GLN 70 HN GLN 70 -0.436 1.671 -4.892 569 HA GLN 70 HA GLN 70 -2.583 2.292 -3.069 570 1HB GLN 70 HB2 GLN 70 -3.212 3.940 -5.118 571 2HB GLN 70 HB1 GLN 70 -2.126 4.361 -3.804 572 1HG GLN 70 HG2 GLN 70 -0.206 3.866 -5.173 573 2HG GLN 70 HG1 GLN 70 -1.245 3.283 -6.467 574 1HE2 GLN 70 HE21 GLN 70 -1.923 4.684 -7.937 575 2HE2 GLN 70 HE22 GLN 70 -1.802 6.400 -7.848 576 H GLU 71 HN GLU 71 -2.097 -0.086 -5.053 577 HA GLU 71 HA GLU 71 -4.952 -0.306 -5.708 578 1HB GLU 71 HB2 GLU 71 -3.360 -0.610 -7.640 579 2HB GLU 71 HB1 GLU 71 -2.652 -1.974 -6.786 580 1HG GLU 71 HG2 GLU 71 -4.193 -2.749 -8.480 581 2HG GLU 71 HG1 GLU 71 -4.806 -3.140 -6.873 582 H MET 72 HN MET 72 -2.233 -1.602 -4.016 583 HA MET 72 HA MET 72 -3.800 -3.752 -2.808 584 1HB MET 72 HB2 MET 72 -0.896 -2.957 -2.490 585 2HB MET 72 HB1 MET 72 -1.647 -4.316 -1.675 586 1HG MET 72 HG2 MET 72 -1.392 -4.015 -4.659 587 2HG MET 72 HG1 MET 72 -0.315 -4.962 -3.639 588 1HE MET 72 HE1 MET 72 -2.689 -7.801 -2.341 589 2HE MET 72 HE2 MET 72 -2.333 -6.266 -1.548 590 3HE MET 72 HE3 MET 72 -1.044 -7.163 -2.348 591 H SER 73 HN SER 73 -3.844 -0.643 -2.401 592 HA SER 73 HA SER 73 -3.011 -0.246 0.249 593 1HB SER 73 HB2 SER 73 -4.146 1.983 0.019 594 2HB SER 73 HB1 SER 73 -2.946 1.584 -1.184 595 HG SER 73 HG SER 73 -5.431 0.745 -1.998 596 H SER 74 HN SER 74 -5.741 -1.625 -1.054 597 HA SER 74 HA SER 74 -7.596 -2.550 -0.287 598 1HB SER 74 HB2 SER 74 -6.165 -2.471 2.363 599 2HB SER 74 HB1 SER 74 -7.471 -3.570 1.899 600 HG SER 74 HG SER 74 -4.850 -3.403 0.830 601 H LYS 75 HN LYS 75 -8.992 -0.835 -0.739 602 HA LYS 75 HA LYS 75 -9.877 0.595 1.657 603 1HB LYS 75 HB2 LYS 75 -9.740 1.645 -1.161 604 2HB LYS 75 HB1 LYS 75 -10.633 2.429 0.132 605 1HG LYS 75 HG2 LYS 75 -7.668 1.967 -0.008 606 2HG LYS 75 HG1 LYS 75 -8.522 3.508 -0.160 607 1HD LYS 75 HD2 LYS 75 -9.359 3.248 2.135 608 2HD LYS 75 HD1 LYS 75 -8.455 1.738 2.278 609 1HE LYS 75 HE2 LYS 75 -7.376 4.511 1.915 610 2HE LYS 75 HE1 LYS 75 -7.184 3.452 3.313 611 1HZ LYS 75 HZ1 LYS 75 -6.008 3.190 0.632 612 2HZ LYS 75 HZ2 LYS 75 -5.978 1.904 1.764 613 3HZ LYS 75 HZ3 LYS 75 -5.209 3.377 2.115 614 H ALA 76 HN ALA 76 -11.843 0.119 2.219 615 HA ALA 76 HA ALA 76 -13.721 -0.873 0.261 616 1HB ALA 76 HB1 ALA 76 -14.065 -0.192 3.203 617 2HB ALA 76 HB2 ALA 76 -13.789 -1.805 2.548 618 3HB ALA 76 HB3 ALA 76 -15.293 -0.952 2.192 619 H GLY 77 HN GLY 77 -13.432 0.983 -1.030 620 1HA GLY 77 HA2 GLY 77 -13.813 3.622 -0.062 621 2HA GLY 77 HA1 GLY 77 -13.675 3.138 -1.743 622 H SER 78 HN SER 78 -15.475 4.877 0.010 623 HA SER 78 HA SER 78 -18.080 3.820 -0.626 624 1HB SER 78 HB2 SER 78 -17.253 6.539 0.414 625 2HB SER 78 HB1 SER 78 -18.899 5.901 0.365 626 HG SER 78 HG SER 78 -16.991 4.334 1.604 627 H ASP 79 HN ASP 79 -18.506 3.780 -2.682 628 HA ASP 79 HA ASP 79 -17.399 5.704 -4.511 629 1HB ASP 79 HB2 ASP 79 -17.582 3.350 -5.185 630 2HB ASP 79 HB1 ASP 79 -19.329 3.424 -5.019 631 H THR 80 HN THR 80 -20.750 4.590 -4.424 632 HA THR 80 HA THR 80 -22.661 5.598 -4.864 633 HB THR 80 HB THR 80 -21.563 7.844 -3.139 634 HG1 THR 80 HG1 THR 80 -23.051 5.515 -2.506 635 1HG2 THR 80 HG21 THR 80 -24.411 6.970 -3.725 636 2HG2 THR 80 HG22 THR 80 -23.643 8.434 -4.342 637 3HG2 THR 80 HG23 THR 80 -23.938 8.254 -2.611 638 H GLU 81 HN GLU 81 -22.368 5.809 -7.058 639 HA GLU 81 HA GLU 81 -21.224 8.091 -8.246 640 1HB GLU 81 HB2 GLU 81 -22.508 7.330 -10.323 641 2HB GLU 81 HB1 GLU 81 -21.366 6.184 -9.647 642 1HG GLU 81 HG2 GLU 81 -23.219 4.984 -8.582 643 2HG GLU 81 HG1 GLU 81 -24.353 6.142 -9.272 644 H LEU 82 HN LEU 82 -21.969 10.029 -8.603 645 HA LEU 82 HA LEU 82 -24.430 10.671 -7.276 646 1HB LEU 82 HB2 LEU 82 -23.871 12.992 -7.485 647 2HB LEU 82 HB1 LEU 82 -22.495 12.107 -6.883 648 HG LEU 82 HG LEU 82 -22.767 13.037 -9.752 649 1HD1 LEU 82 HD11 LEU 82 -22.752 14.940 -8.241 650 2HD1 LEU 82 HD12 LEU 82 -21.230 14.831 -9.125 651 3HD1 LEU 82 HD13 LEU 82 -21.313 14.309 -7.443 652 1HD2 LEU 82 HD21 LEU 82 -20.369 12.099 -8.166 653 2HD2 LEU 82 HD22 LEU 82 -20.345 12.673 -9.834 654 3HD2 LEU 82 HD23 LEU 82 -21.191 11.179 -9.425 655 H ALA 83 HN ALA 83 -26.189 11.492 -8.046 656 HA ALA 83 HA ALA 83 -26.555 11.477 -10.953 657 1HB ALA 83 HB1 ALA 83 -28.011 9.905 -9.741 658 2HB ALA 83 HB2 ALA 83 -28.959 11.221 -10.433 659 3HB ALA 83 HB3 ALA 83 -28.579 11.220 -8.709 660 H ALA 84 HN ALA 84 -26.449 13.457 -11.731 661 HA ALA 84 HA ALA 84 -27.240 15.661 -9.970 662 1HB ALA 84 HB1 ALA 84 -25.724 17.072 -11.269 663 2HB ALA 84 HB2 ALA 84 -25.308 15.697 -12.292 664 3HB ALA 84 HB3 ALA 84 -24.867 15.691 -10.584 665 HA PRO 85 HA PRO 85 -30.393 16.184 -13.125 666 1HB PRO 85 HB2 PRO 85 -31.722 17.987 -11.321 667 2HB PRO 85 HB1 PRO 85 -32.155 16.318 -11.691 668 1HG PRO 85 HG2 PRO 85 -31.246 17.156 -9.238 669 2HG PRO 85 HG1 PRO 85 -31.079 15.498 -9.846 670 1HD PRO 85 HD2 PRO 85 -29.071 17.731 -9.849 671 2HD PRO 85 HD1 PRO 85 -28.850 16.014 -9.432 672 H LYS 86 HN LYS 86 -27.927 17.832 -12.905 673 HA LYS 86 HA LYS 86 -28.745 20.579 -13.258 674 1HB LYS 86 HB2 LYS 86 -26.069 19.247 -13.760 675 2HB LYS 86 HB1 LYS 86 -26.362 20.980 -13.702 676 1HG LYS 86 HG2 LYS 86 -27.007 20.779 -11.341 677 2HG LYS 86 HG1 LYS 86 -26.673 19.049 -11.414 678 1HD LYS 86 HD2 LYS 86 -24.338 19.510 -11.934 679 2HD LYS 86 HD1 LYS 86 -24.668 21.245 -11.917 680 1HE LYS 86 HE2 LYS 86 -25.294 21.117 -9.569 681 2HE LYS 86 HE1 LYS 86 -25.015 19.377 -9.575 682 1HZ LYS 86 HZ1 LYS 86 -23.114 20.513 -8.644 683 2HZ LYS 86 HZ2 LYS 86 -22.963 21.478 -10.035 684 3HZ LYS 86 HZ3 LYS 86 -22.695 19.815 -10.117 685 H SER 87 HN SER 87 -27.233 18.074 -15.255 686 HA SER 87 HA SER 87 -28.677 19.155 -17.546 687 1HB SER 87 HB2 SER 87 -26.110 19.588 -17.470 688 2HB SER 87 HB1 SER 87 -25.951 17.848 -17.719 689 HG SER 87 HG SER 87 -27.168 19.774 -19.351 690 H LYS 88 HN LYS 88 -30.106 17.663 -18.130 691 HA LYS 88 HA LYS 88 -30.324 15.178 -16.885 692 1HB LYS 88 HB2 LYS 88 -32.320 16.131 -17.724 693 2HB LYS 88 HB1 LYS 88 -31.688 16.187 -19.371 694 1HG LYS 88 HG2 LYS 88 -31.596 13.709 -19.379 695 2HG LYS 88 HG1 LYS 88 -32.345 13.707 -17.789 696 1HD LYS 88 HD2 LYS 88 -34.352 14.642 -18.682 697 2HD LYS 88 HD1 LYS 88 -33.587 14.909 -20.255 698 1HE LYS 88 HE2 LYS 88 -33.959 12.204 -18.972 699 2HE LYS 88 HE1 LYS 88 -35.034 12.886 -20.187 700 1HZ LYS 88 HZ1 LYS 88 -33.349 11.347 -21.121 701 2HZ LYS 88 HZ2 LYS 88 -32.106 12.405 -20.686 702 3HZ LYS 88 HZ3 LYS 88 -33.307 12.884 -21.776 703 H ASN 89 HN ASN 89 -29.449 15.790 -20.260 704 HA ASN 89 HA ASN 89 -28.487 14.564 -21.839 705 1HB ASN 89 HB2 ASN 89 -26.658 13.768 -20.443 706 2HB ASN 89 HB1 ASN 89 -27.712 12.612 -19.632 707 1HD2 ASN 89 HD21 ASN 89 -26.052 13.363 -22.595 708 2HD2 ASN 89 HD22 ASN 89 -26.097 11.780 -23.269 Start of MODEL 22 1 1H GLY 1 HT1 GLY 1 -10.050 7.751 18.819 2 2H GLY 1 HT2 GLY 1 -11.308 7.745 19.962 3 3H GLY 1 HT3 GLY 1 -11.160 6.494 18.821 4 1HA GLY 1 HA1 GLY 1 -9.156 7.009 20.904 5 2HA GLY 1 HA2 GLY 1 -10.437 5.799 21.011 6 H ASP 2 HN ASP 2 -7.517 6.767 19.382 7 HA ASP 2 HA ASP 2 -6.809 4.128 18.677 8 1HB ASP 2 HB2 ASP 2 -6.778 4.451 16.212 9 2HB ASP 2 HB1 ASP 2 -8.410 4.427 16.859 10 H GLY 3 HN GLY 3 -4.674 4.070 17.969 11 1HA GLY 3 HA2 GLY 3 -3.203 6.503 18.511 12 2HA GLY 3 HA1 GLY 3 -2.529 4.904 18.210 13 H GLU 4 HN GLU 4 -4.303 4.615 15.832 14 HA GLU 4 HA GLU 4 -3.385 6.619 14.021 15 1HB GLU 4 HB2 GLU 4 -2.152 5.139 12.559 16 2HB GLU 4 HB1 GLU 4 -1.412 5.151 14.145 17 1HG GLU 4 HG2 GLU 4 -3.254 2.964 13.164 18 2HG GLU 4 HG1 GLU 4 -1.504 2.918 13.025 19 H ALA 5 HN ALA 5 -4.499 6.633 12.186 20 HA ALA 5 HA ALA 5 -6.608 4.636 11.768 21 1HB ALA 5 HB1 ALA 5 -7.330 6.983 11.624 22 2HB ALA 5 HB2 ALA 5 -7.417 6.237 10.025 23 3HB ALA 5 HB3 ALA 5 -6.076 7.311 10.425 24 H GLN 6 HN GLN 6 -6.713 3.896 9.338 25 HA GLN 6 HA GLN 6 -4.039 3.092 8.722 26 1HB GLN 6 HB2 GLN 6 -6.032 1.611 8.384 27 2HB GLN 6 HB1 GLN 6 -6.503 2.648 7.040 28 1HG GLN 6 HG2 GLN 6 -4.287 2.191 6.007 29 2HG GLN 6 HG1 GLN 6 -3.991 1.024 7.288 30 1HE2 GLN 6 HE21 GLN 6 -3.879 -0.693 5.964 31 2HE2 GLN 6 HE22 GLN 6 -5.218 -1.295 5.051 32 H ARG 7 HN ARG 7 -2.694 4.142 7.530 33 HA ARG 7 HA ARG 7 -3.609 6.349 5.858 34 1HB ARG 7 HB2 ARG 7 -1.219 6.950 5.692 35 2HB ARG 7 HB1 ARG 7 -1.713 6.775 7.367 36 1HG ARG 7 HG2 ARG 7 -0.719 4.472 7.331 37 2HG ARG 7 HG1 ARG 7 -0.073 4.848 5.734 38 1HD ARG 7 HD2 ARG 7 1.618 5.236 7.440 39 2HD ARG 7 HD1 ARG 7 1.145 6.767 6.696 40 HE ARG 7 HE ARG 7 -0.487 6.651 8.826 41 1HH1 ARG 7 HH11 ARG 7 3.069 6.217 8.666 42 2HH1 ARG 7 HH12 ARG 7 3.250 6.775 10.273 43 1HH2 ARG 7 HH21 ARG 7 -0.087 7.427 10.982 44 2HH2 ARG 7 HH22 ARG 7 1.536 7.418 11.548 45 H ASP 8 HN ASP 8 -1.939 6.439 3.790 46 HA ASP 8 HA ASP 8 -2.611 4.017 2.332 47 1HB ASP 8 HB2 ASP 8 -3.047 6.204 1.273 48 2HB ASP 8 HB1 ASP 8 -1.326 6.570 1.367 49 H LEU 9 HN LEU 9 -0.950 2.957 1.003 50 HA LEU 9 HA LEU 9 1.342 2.502 2.658 51 1HB LEU 9 HB2 LEU 9 0.490 1.172 0.099 52 2HB LEU 9 HB1 LEU 9 1.860 0.680 1.076 53 HG LEU 9 HG LEU 9 -1.036 0.622 1.917 54 1HD1 LEU 9 HD11 LEU 9 -0.460 -1.112 0.306 55 2HD1 LEU 9 HD12 LEU 9 -0.730 -1.801 1.908 56 3HD1 LEU 9 HD13 LEU 9 0.914 -1.592 1.303 57 1HD2 LEU 9 HD21 LEU 9 -0.222 -0.508 3.928 58 2HD2 LEU 9 HD22 LEU 9 0.412 1.135 3.790 59 3HD2 LEU 9 HD23 LEU 9 1.442 -0.243 3.396 60 H VAL 10 HN VAL 10 0.705 4.232 -0.317 61 HA VAL 10 HA VAL 10 3.492 4.384 -1.017 62 HB VAL 10 HB VAL 10 1.043 5.907 -2.028 63 1HG1 VAL 10 HG11 VAL 10 3.864 6.010 -3.105 64 2HG1 VAL 10 HG12 VAL 10 3.021 7.334 -2.295 65 3HG1 VAL 10 HG13 VAL 10 2.446 6.743 -3.855 66 1HG2 VAL 10 HG21 VAL 10 2.733 3.753 -3.278 67 2HG2 VAL 10 HG22 VAL 10 1.370 4.567 -4.048 68 3HG2 VAL 10 HG23 VAL 10 1.110 3.561 -2.620 69 H LYS 11 HN LYS 11 1.242 6.033 0.916 70 HA LYS 11 HA LYS 11 2.895 8.326 1.416 71 1HB LYS 11 HB2 LYS 11 0.330 7.286 2.497 72 2HB LYS 11 HB1 LYS 11 1.174 8.531 3.410 73 1HG LYS 11 HG2 LYS 11 -0.589 9.462 1.967 74 2HG LYS 11 HG1 LYS 11 1.000 10.057 1.523 75 1HD LYS 11 HD2 LYS 11 1.074 8.560 -0.369 76 2HD LYS 11 HD1 LYS 11 -0.444 7.807 0.105 77 1HE LYS 11 HE2 LYS 11 -0.092 10.704 -0.665 78 2HE LYS 11 HE1 LYS 11 -0.721 9.439 -1.723 79 1HZ LYS 11 HZ1 LYS 11 -1.964 10.302 0.839 80 2HZ LYS 11 HZ2 LYS 11 -2.603 9.155 -0.227 81 3HZ LYS 11 HZ3 LYS 11 -2.493 10.757 -0.684 82 H ALA 12 HN ALA 12 3.301 5.246 2.183 83 HA ALA 12 HA ALA 12 4.703 5.866 4.683 84 1HB ALA 12 HB1 ALA 12 2.835 4.330 5.080 85 2HB ALA 12 HB2 ALA 12 4.380 3.518 5.335 86 3HB ALA 12 HB3 ALA 12 3.469 3.230 3.856 87 H VAL 13 HN VAL 13 4.708 3.300 2.200 88 HA VAL 13 HA VAL 13 7.426 2.612 2.457 89 HB VAL 13 HB VAL 13 5.631 2.224 0.051 90 1HG1 VAL 13 HG11 VAL 13 7.087 0.322 -0.490 91 2HG1 VAL 13 HG12 VAL 13 8.131 0.747 0.868 92 3HG1 VAL 13 HG13 VAL 13 7.959 1.857 -0.494 93 1HG2 VAL 13 HG21 VAL 13 4.602 1.300 2.045 94 2HG2 VAL 13 HG22 VAL 13 6.082 0.421 2.426 95 3HG2 VAL 13 HG23 VAL 13 5.156 0.001 0.985 96 H ALA 14 HN ALA 14 5.751 4.545 0.026 97 HA ALA 14 HA ALA 14 8.133 5.153 -1.367 98 1HB ALA 14 HB1 ALA 14 6.748 6.714 -2.681 99 2HB ALA 14 HB2 ALA 14 5.441 6.527 -1.504 100 3HB ALA 14 HB3 ALA 14 5.930 5.164 -2.485 101 H HIS 15 HN HIS 15 6.372 6.616 1.241 102 HA HIS 15 HA HIS 15 7.625 9.152 1.216 103 1HB HIS 15 HB2 HIS 15 5.533 8.563 2.521 104 2HB HIS 15 HB1 HIS 15 6.556 7.701 3.658 105 HD1 HIS 15 HD1 HIS 15 5.366 9.523 5.380 106 HD2 HIS 15 HD2 HIS 15 8.170 11.028 2.688 107 HE1 HIS 15 HE1 HIS 15 5.954 11.787 6.212 108 HE2 HIS 15 HE2 HIS 15 7.929 12.429 4.846 109 H ILE 16 HN ILE 16 8.483 6.078 2.682 110 HA ILE 16 HA ILE 16 10.756 6.826 4.132 111 HB ILE 16 HB ILE 16 10.093 4.233 2.698 112 1HG1 ILE 16 HG12 ILE 16 8.563 4.816 4.525 113 2HG1 ILE 16 HG11 ILE 16 9.497 3.373 4.905 114 1HG2 ILE 16 HG21 ILE 16 12.335 4.672 4.661 115 2HG2 ILE 16 HG22 ILE 16 12.489 4.287 2.946 116 3HG2 ILE 16 HG23 ILE 16 11.795 3.106 4.055 117 1HD1 ILE 16 HD11 ILE 16 10.953 4.703 6.344 118 2HD1 ILE 16 HD12 ILE 16 9.262 4.836 6.837 119 3HD1 ILE 16 HD13 ILE 16 10.028 6.149 5.947 120 H LEU 17 HN LEU 17 10.329 6.097 0.724 121 HA LEU 17 HA LEU 17 13.183 6.206 0.173 122 1HB LEU 17 HB2 LEU 17 10.866 5.910 -1.718 123 2HB LEU 17 HB1 LEU 17 12.555 5.724 -2.136 124 HG LEU 17 HG LEU 17 10.974 3.967 -0.288 125 1HD1 LEU 17 HD11 LEU 17 11.247 2.294 -2.044 126 2HD1 LEU 17 HD12 LEU 17 12.062 3.491 -3.050 127 3HD1 LEU 17 HD13 LEU 17 10.367 3.711 -2.617 128 1HD2 LEU 17 HD21 LEU 17 12.964 2.519 -0.289 129 2HD2 LEU 17 HD22 LEU 17 13.309 4.099 0.416 130 3HD2 LEU 17 HD23 LEU 17 13.838 3.734 -1.225 131 H GLY 18 HN GLY 18 10.799 8.479 0.518 132 1HA GLY 18 HA2 GLY 18 10.988 10.779 0.191 133 2HA GLY 18 HA1 GLY 18 12.432 10.495 -0.767 134 H ILE 19 HN ILE 19 9.458 8.811 -1.432 135 HA ILE 19 HA ILE 19 9.007 10.544 -3.718 136 HB ILE 19 HB ILE 19 8.010 8.336 -4.717 137 1HG1 ILE 19 HG12 ILE 19 10.275 7.283 -3.011 138 2HG1 ILE 19 HG11 ILE 19 8.576 6.843 -2.903 139 1HG2 ILE 19 HG21 ILE 19 10.071 8.041 -6.003 140 2HG2 ILE 19 HG22 ILE 19 10.870 9.159 -4.876 141 3HG2 ILE 19 HG23 ILE 19 9.488 9.701 -5.854 142 1HD1 ILE 19 HD11 ILE 19 10.413 6.264 -5.214 143 2HD1 ILE 19 HD12 ILE 19 8.708 5.831 -5.122 144 3HD1 ILE 19 HD13 ILE 19 9.862 5.106 -4.002 145 H ARG 20 HN ARG 20 6.880 10.401 -4.591 146 HA ARG 20 HA ARG 20 4.759 9.357 -2.933 147 1HB ARG 20 HB2 ARG 20 5.489 11.447 -1.778 148 2HB ARG 20 HB1 ARG 20 5.049 12.337 -3.227 149 1HG ARG 20 HG2 ARG 20 2.740 11.661 -2.963 150 2HG ARG 20 HG1 ARG 20 3.167 10.721 -1.527 151 1HD ARG 20 HD2 ARG 20 3.402 13.701 -1.905 152 2HD ARG 20 HD1 ARG 20 2.308 12.845 -0.811 153 HE ARG 20 HE ARG 20 4.873 12.063 -0.130 154 1HH1 ARG 20 HH11 ARG 20 3.130 15.147 -0.226 155 2HH1 ARG 20 HH12 ARG 20 3.933 15.787 1.135 156 1HH2 ARG 20 HH21 ARG 20 6.045 12.970 1.574 157 2HH2 ARG 20 HH22 ARG 20 5.713 14.545 2.155 158 H ASP 21 HN ASP 21 5.726 11.631 -5.443 159 HA ASP 21 HA ASP 21 3.169 11.386 -6.743 160 1HB ASP 21 HB2 ASP 21 3.962 13.034 -8.361 161 2HB ASP 21 HB1 ASP 21 4.289 13.550 -6.706 162 H LEU 22 HN LEU 22 6.462 10.444 -7.495 163 HA LEU 22 HA LEU 22 7.274 8.870 -8.906 164 1HB LEU 22 HB2 LEU 22 4.496 7.785 -8.512 165 2HB LEU 22 HB1 LEU 22 5.622 6.995 -9.585 166 HG LEU 22 HG LEU 22 5.545 5.871 -7.501 167 1HD1 LEU 22 HD11 LEU 22 7.663 5.877 -8.611 168 2HD1 LEU 22 HD12 LEU 22 7.943 5.957 -6.867 169 3HD1 LEU 22 HD13 LEU 22 8.096 7.407 -7.866 170 1HD2 LEU 22 HD21 LEU 22 4.814 7.648 -6.023 171 2HD2 LEU 22 HD22 LEU 22 6.366 8.463 -6.193 172 3HD2 LEU 22 HD23 LEU 22 6.277 6.896 -5.386 173 H ALA 23 HN ALA 23 5.971 11.349 -9.966 174 HA ALA 23 HA ALA 23 4.831 10.493 -12.462 175 1HB ALA 23 HB1 ALA 23 5.548 13.280 -11.536 176 2HB ALA 23 HB2 ALA 23 3.974 12.508 -11.343 177 3HB ALA 23 HB3 ALA 23 4.583 12.882 -12.956 178 H GLY 24 HN GLY 24 7.800 10.924 -11.253 179 1HA GLY 24 HA2 GLY 24 8.999 10.537 -13.853 180 2HA GLY 24 HA1 GLY 24 9.560 11.978 -12.988 181 H ILE 25 HN ILE 25 8.651 8.824 -11.722 182 HA ILE 25 HA ILE 25 11.389 8.212 -11.105 183 HB ILE 25 HB ILE 25 9.189 8.137 -8.971 184 1HG1 ILE 25 HG12 ILE 25 10.853 9.675 -7.672 185 2HG1 ILE 25 HG11 ILE 25 11.526 10.028 -9.253 186 1HG2 ILE 25 HG21 ILE 25 10.937 7.413 -7.415 187 2HG2 ILE 25 HG22 ILE 25 12.091 7.369 -8.749 188 3HG2 ILE 25 HG23 ILE 25 10.705 6.282 -8.748 189 1HD1 ILE 25 HD11 ILE 25 9.374 10.897 -9.976 190 2HD1 ILE 25 HD12 ILE 25 9.956 11.748 -8.540 191 3HD1 ILE 25 HD13 ILE 25 8.681 10.534 -8.394 192 H ASN 26 HN ASN 26 11.615 5.920 -11.091 193 HA ASN 26 HA ASN 26 9.568 4.588 -12.526 194 1HB ASN 26 HB2 ASN 26 12.173 3.640 -11.381 195 2HB ASN 26 HB1 ASN 26 11.021 2.499 -12.053 196 1HD2 ASN 26 HD21 ASN 26 10.154 4.364 -14.187 197 2HD2 ASN 26 HD22 ASN 26 11.465 4.404 -15.306 198 H LEU 27 HN LEU 27 7.797 4.124 -11.694 199 HA LEU 27 HA LEU 27 7.601 3.236 -8.939 200 1HB LEU 27 HB2 LEU 27 5.094 3.304 -9.466 201 2HB LEU 27 HB1 LEU 27 5.964 4.818 -9.401 202 HG LEU 27 HG LEU 27 6.063 4.739 -11.935 203 1HD1 LEU 27 HD11 LEU 27 4.000 2.579 -11.608 204 2HD1 LEU 27 HD12 LEU 27 5.620 2.413 -12.302 205 3HD1 LEU 27 HD13 LEU 27 4.417 3.418 -13.106 206 1HD2 LEU 27 HD21 LEU 27 3.362 4.915 -10.625 207 2HD2 LEU 27 HD22 LEU 27 3.776 5.564 -12.211 208 3HD2 LEU 27 HD23 LEU 27 4.555 6.206 -10.761 209 H ASP 28 HN ASP 28 8.499 1.807 -11.509 210 HA ASP 28 HA ASP 28 6.834 -0.577 -11.607 211 1HB ASP 28 HB2 ASP 28 9.487 -0.051 -12.946 212 2HB ASP 28 HB1 ASP 28 8.304 -1.275 -13.375 213 H SER 29 HN SER 29 9.447 0.590 -9.825 214 HA SER 29 HA SER 29 10.996 -1.734 -9.624 215 1HB SER 29 HB2 SER 29 10.903 0.703 -7.859 216 2HB SER 29 HB1 SER 29 12.183 -0.513 -7.909 217 HG SER 29 HG SER 29 12.941 0.880 -9.279 218 H SER 30 HN SER 30 10.844 -3.379 -8.433 219 HA SER 30 HA SER 30 8.633 -3.860 -6.679 220 1HB SER 30 HB2 SER 30 11.116 -5.421 -7.367 221 2HB SER 30 HB1 SER 30 9.826 -6.070 -6.376 222 HG SER 30 HG SER 30 9.464 -5.088 -9.046 223 H LEU 31 HN LEU 31 8.762 -4.127 -4.391 224 HA LEU 31 HA LEU 31 10.542 -2.463 -3.061 225 1HB LEU 31 HB2 LEU 31 8.594 -4.475 -2.076 226 2HB LEU 31 HB1 LEU 31 9.785 -3.875 -0.948 227 HG LEU 31 HG LEU 31 8.993 -1.581 -1.317 228 1HD1 LEU 31 HD11 LEU 31 6.939 -1.167 -2.537 229 2HD1 LEU 31 HD12 LEU 31 6.923 -2.864 -3.042 230 3HD1 LEU 31 HD13 LEU 31 8.217 -1.797 -3.583 231 1HD2 LEU 31 HD21 LEU 31 8.044 -2.867 0.492 232 2HD2 LEU 31 HD22 LEU 31 6.821 -3.524 -0.593 233 3HD2 LEU 31 HD23 LEU 31 6.827 -1.802 -0.213 234 H ALA 32 HN ALA 32 10.974 -5.801 -3.832 235 HA ALA 32 HA ALA 32 13.080 -6.139 -1.987 236 1HB ALA 32 HB1 ALA 32 12.603 -7.687 -4.540 237 2HB ALA 32 HB2 ALA 32 11.958 -8.090 -2.947 238 3HB ALA 32 HB3 ALA 32 13.696 -8.162 -3.241 239 H ASP 33 HN ASP 33 12.870 -4.627 -5.061 240 HA ASP 33 HA ASP 33 15.666 -4.671 -5.603 241 1HB ASP 33 HB2 ASP 33 14.141 -4.346 -7.473 242 2HB ASP 33 HB1 ASP 33 13.472 -2.909 -6.713 243 H LEU 34 HN LEU 34 13.325 -2.494 -4.271 244 HA LEU 34 HA LEU 34 14.836 -0.195 -3.793 245 1HB LEU 34 HB2 LEU 34 12.673 -1.260 -1.998 246 2HB LEU 34 HB1 LEU 34 13.132 0.410 -2.248 247 HG LEU 34 HG LEU 34 11.806 -1.363 -4.287 248 1HD1 LEU 34 HD11 LEU 34 9.848 0.013 -3.902 249 2HD1 LEU 34 HD12 LEU 34 10.709 0.858 -2.602 250 3HD1 LEU 34 HD13 LEU 34 10.370 -0.872 -2.469 251 1HD2 LEU 34 HD21 LEU 34 12.448 1.586 -4.373 252 2HD2 LEU 34 HD22 LEU 34 11.496 0.697 -5.564 253 3HD2 LEU 34 HD23 LEU 34 13.202 0.313 -5.343 254 H GLY 35 HN GLY 35 14.053 -2.894 -1.636 255 1HA GLY 35 HA2 GLY 35 16.320 -3.656 -0.560 256 2HA GLY 35 HA1 GLY 35 16.190 -2.075 0.187 257 H LEU 36 HN LEU 36 13.500 -4.316 -0.462 258 HA LEU 36 HA LEU 36 12.879 -4.067 2.271 259 1HB LEU 36 HB2 LEU 36 10.915 -3.924 1.350 260 2HB LEU 36 HB1 LEU 36 11.236 -4.900 -0.035 261 HG LEU 36 HG LEU 36 10.902 -6.932 1.470 262 1HD1 LEU 36 HD11 LEU 36 9.974 -4.888 3.469 263 2HD1 LEU 36 HD12 LEU 36 11.396 -5.919 3.614 264 3HD1 LEU 36 HD13 LEU 36 9.784 -6.634 3.605 265 1HD2 LEU 36 HD21 LEU 36 8.608 -4.994 1.273 266 2HD2 LEU 36 HD22 LEU 36 8.474 -6.728 1.570 267 3HD2 LEU 36 HD23 LEU 36 9.124 -6.141 0.038 268 H ASP 37 HN ASP 37 14.131 -4.883 3.422 269 HA ASP 37 HA ASP 37 13.372 -7.312 4.498 270 1HB ASP 37 HB2 ASP 37 15.109 -8.278 2.945 271 2HB ASP 37 HB1 ASP 37 16.302 -7.182 3.648 272 H SER 38 HN SER 38 12.714 -5.308 5.624 273 HA SER 38 HA SER 38 14.153 -4.804 7.860 274 1HB SER 38 HB2 SER 38 14.619 -2.413 7.281 275 2HB SER 38 HB1 SER 38 15.602 -3.522 6.323 276 HG SER 38 HG SER 38 14.830 -2.228 4.836 277 H LEU 39 HN LEU 39 13.069 -2.260 7.760 278 HA LEU 39 HA LEU 39 10.414 -2.467 8.701 279 1HB LEU 39 HB2 LEU 39 11.894 -0.623 9.266 280 2HB LEU 39 HB1 LEU 39 11.837 -0.054 7.607 281 HG LEU 39 HG LEU 39 9.324 0.160 7.956 282 1HD1 LEU 39 HD11 LEU 39 9.098 -1.096 9.975 283 2HD1 LEU 39 HD12 LEU 39 8.600 0.578 10.244 284 3HD1 LEU 39 HD13 LEU 39 10.170 0.021 10.826 285 1HD2 LEU 39 HD21 LEU 39 9.572 2.389 8.928 286 2HD2 LEU 39 HD22 LEU 39 10.781 2.037 7.693 287 3HD2 LEU 39 HD23 LEU 39 11.229 1.986 9.403 288 H MET 40 HN MET 40 11.709 -2.017 5.513 289 HA MET 40 HA MET 40 9.566 -0.722 4.118 290 1HB MET 40 HB2 MET 40 11.852 -2.385 3.078 291 2HB MET 40 HB1 MET 40 10.764 -1.395 2.110 292 1HG MET 40 HG2 MET 40 11.516 0.602 3.255 293 2HG MET 40 HG1 MET 40 12.596 -0.365 4.254 294 1HE MET 40 HE1 MET 40 13.483 2.182 2.549 295 2HE MET 40 HE2 MET 40 15.021 1.613 1.890 296 3HE MET 40 HE3 MET 40 14.588 1.254 3.561 297 H GLY 41 HN GLY 41 8.784 -3.119 5.558 298 1HA GLY 41 HA2 GLY 41 6.907 -4.126 3.661 299 2HA GLY 41 HA1 GLY 41 8.142 -5.329 4.044 300 H VAL 42 HN VAL 42 8.603 -4.512 6.698 301 HA VAL 42 HA VAL 42 6.560 -5.946 7.985 302 HB VAL 42 HB VAL 42 8.754 -4.246 9.218 303 1HG1 VAL 42 HG11 VAL 42 6.947 -4.666 10.816 304 2HG1 VAL 42 HG12 VAL 42 8.396 -5.581 11.248 305 3HG1 VAL 42 HG13 VAL 42 7.038 -6.394 10.471 306 1HG2 VAL 42 HG21 VAL 42 9.633 -6.017 7.816 307 2HG2 VAL 42 HG22 VAL 42 8.626 -7.203 8.644 308 3HG2 VAL 42 HG23 VAL 42 9.926 -6.385 9.514 309 H GLU 43 HN GLU 43 7.282 -2.447 7.864 310 HA GLU 43 HA GLU 43 5.178 -1.761 9.643 311 1HB GLU 43 HB2 GLU 43 7.101 -0.244 9.108 312 2HB GLU 43 HB1 GLU 43 6.441 -0.032 7.490 313 1HG GLU 43 HG2 GLU 43 4.455 1.006 8.409 314 2HG GLU 43 HG1 GLU 43 5.044 0.739 10.046 315 H VAL 44 HN VAL 44 5.429 -2.182 6.214 316 HA VAL 44 HA VAL 44 2.987 -1.188 5.262 317 HB VAL 44 HB VAL 44 4.330 -3.710 4.306 318 1HG1 VAL 44 HG11 VAL 44 3.518 -3.058 2.107 319 2HG1 VAL 44 HG12 VAL 44 2.696 -1.672 2.837 320 3HG1 VAL 44 HG13 VAL 44 2.223 -3.318 3.276 321 1HG2 VAL 44 HG21 VAL 44 5.698 -2.302 2.826 322 2HG2 VAL 44 HG22 VAL 44 6.042 -2.107 4.540 323 3HG2 VAL 44 HG23 VAL 44 5.105 -0.868 3.690 324 H ARG 45 HN ARG 45 3.923 -4.445 6.154 325 HA ARG 45 HA ARG 45 1.481 -5.696 5.972 326 1HB ARG 45 HB2 ARG 45 3.485 -6.960 6.027 327 2HB ARG 45 HB1 ARG 45 3.943 -6.297 7.583 328 1HG ARG 45 HG2 ARG 45 2.265 -7.557 8.691 329 2HG ARG 45 HG1 ARG 45 1.557 -8.063 7.152 330 1HD ARG 45 HD2 ARG 45 2.996 -9.775 8.288 331 2HD ARG 45 HD1 ARG 45 3.432 -9.400 6.623 332 HE ARG 45 HE ARG 45 5.277 -8.146 7.425 333 1HH1 ARG 45 HH11 ARG 45 3.614 -9.754 10.076 334 2HH1 ARG 45 HH12 ARG 45 4.979 -10.240 10.934 335 1HH2 ARG 45 HH21 ARG 45 7.310 -8.739 8.663 336 2HH2 ARG 45 HH22 ARG 45 7.157 -9.584 10.129 337 H GLN 46 HN GLN 46 2.923 -4.012 8.744 338 HA GLN 46 HA GLN 46 0.901 -4.723 10.577 339 1HB GLN 46 HB2 GLN 46 2.783 -2.355 10.560 340 2HB GLN 46 HB1 GLN 46 1.694 -2.719 11.890 341 1HG GLN 46 HG2 GLN 46 2.799 -4.821 12.283 342 2HG GLN 46 HG1 GLN 46 3.818 -4.585 10.866 343 1HE2 GLN 46 HE21 GLN 46 5.452 -3.119 10.955 344 2HE2 GLN 46 HE22 GLN 46 6.112 -2.500 12.427 345 H ILE 47 HN ILE 47 1.190 -2.010 8.351 346 HA ILE 47 HA ILE 47 -1.048 -0.529 9.239 347 HB ILE 47 HB ILE 47 0.177 -0.725 6.478 348 1HG1 ILE 47 HG12 ILE 47 0.609 1.342 8.642 349 2HG1 ILE 47 HG11 ILE 47 1.725 0.040 8.240 350 1HG2 ILE 47 HG21 ILE 47 -0.872 1.461 6.013 351 2HG2 ILE 47 HG22 ILE 47 -1.686 1.390 7.576 352 3HG2 ILE 47 HG23 ILE 47 -2.073 0.205 6.326 353 1HD1 ILE 47 HD11 ILE 47 2.443 2.151 7.276 354 2HD1 ILE 47 HD12 ILE 47 0.908 2.291 6.417 355 3HD1 ILE 47 HD13 ILE 47 2.029 0.987 6.015 356 H LEU 48 HN LEU 48 -0.669 -3.162 7.059 357 HA LEU 48 HA LEU 48 -3.405 -3.078 6.109 358 1HB LEU 48 HB2 LEU 48 -1.209 -5.075 5.657 359 2HB LEU 48 HB1 LEU 48 -2.766 -5.114 4.862 360 HG LEU 48 HG LEU 48 -0.752 -2.887 4.606 361 1HD1 LEU 48 HD11 LEU 48 -1.506 -5.089 2.701 362 2HD1 LEU 48 HD12 LEU 48 0.033 -4.926 3.552 363 3HD1 LEU 48 HD13 LEU 48 -0.432 -3.739 2.337 364 1HD2 LEU 48 HD21 LEU 48 -2.204 -2.102 2.802 365 2HD2 LEU 48 HD22 LEU 48 -3.048 -2.117 4.349 366 3HD2 LEU 48 HD23 LEU 48 -3.357 -3.386 3.161 367 H GLU 49 HN GLU 49 -1.502 -5.325 8.084 368 HA GLU 49 HA GLU 49 -3.731 -7.038 8.523 369 1HB GLU 49 HB2 GLU 49 -1.417 -7.862 8.341 370 2HB GLU 49 HB1 GLU 49 -0.980 -6.993 9.790 371 1HG GLU 49 HG2 GLU 49 -3.050 -9.172 9.810 372 2HG GLU 49 HG1 GLU 49 -1.333 -9.519 9.931 373 H ARG 50 HN ARG 50 -2.053 -4.602 10.514 374 HA ARG 50 HA ARG 50 -3.591 -5.323 12.814 375 1HB ARG 50 HB2 ARG 50 -1.244 -4.524 12.985 376 2HB ARG 50 HB1 ARG 50 -1.745 -2.953 12.394 377 1HG ARG 50 HG2 ARG 50 -2.954 -2.510 14.392 378 2HG ARG 50 HG1 ARG 50 -2.752 -4.174 14.951 379 1HD ARG 50 HD2 ARG 50 -1.208 -2.693 16.114 380 2HD ARG 50 HD1 ARG 50 -0.333 -3.827 15.098 381 HE ARG 50 HE ARG 50 -0.765 -1.392 13.709 382 1HH1 ARG 50 HH11 ARG 50 1.289 -2.774 16.274 383 2HH1 ARG 50 HH12 ARG 50 2.514 -1.605 16.089 384 1HH2 ARG 50 HH21 ARG 50 0.967 0.200 13.480 385 2HH2 ARG 50 HH22 ARG 50 2.342 0.094 14.472 386 H GLU 51 HN GLU 51 -4.215 -3.430 10.152 387 HA GLU 51 HA GLU 51 -6.366 -2.011 11.557 388 1HB GLU 51 HB2 GLU 51 -4.960 -1.428 8.985 389 2HB GLU 51 HB1 GLU 51 -6.583 -0.813 9.249 390 1HG GLU 51 HG2 GLU 51 -4.254 -0.294 11.077 391 2HG GLU 51 HG1 GLU 51 -4.786 0.795 9.792 392 H HIS 52 HN HIS 52 -5.923 -3.842 8.476 393 HA HIS 52 HA HIS 52 -8.819 -4.359 8.625 394 1HB HIS 52 HB2 HIS 52 -7.137 -3.646 6.264 395 2HB HIS 52 HB1 HIS 52 -8.610 -4.572 6.028 396 HD1 HIS 52 HD1 HIS 52 -10.797 -3.260 6.106 397 HD2 HIS 52 HD2 HIS 52 -7.530 -1.005 7.313 398 HE1 HIS 52 HE1 HIS 52 -11.619 -0.905 6.247 399 HE2 HIS 52 HE2 HIS 52 -9.753 0.319 7.337 400 H ASP 53 HN ASP 53 -6.264 -5.964 9.326 401 HA ASP 53 HA ASP 53 -5.711 -8.126 9.522 402 1HB ASP 53 HB2 ASP 53 -8.501 -8.598 8.480 403 2HB ASP 53 HB1 ASP 53 -7.419 -9.912 8.898 404 H LEU 54 HN LEU 54 -5.332 -6.685 6.868 405 HA LEU 54 HA LEU 54 -5.179 -8.934 5.066 406 1HB LEU 54 HB2 LEU 54 -4.506 -6.051 4.803 407 2HB LEU 54 HB1 LEU 54 -3.690 -7.168 3.731 408 HG LEU 54 HG LEU 54 -5.950 -7.931 2.970 409 1HD1 LEU 54 HD11 LEU 54 -6.884 -5.512 4.499 410 2HD1 LEU 54 HD12 LEU 54 -7.290 -7.189 4.856 411 3HD1 LEU 54 HD13 LEU 54 -7.854 -6.440 3.356 412 1HD2 LEU 54 HD21 LEU 54 -4.609 -6.420 1.653 413 2HD2 LEU 54 HD22 LEU 54 -5.229 -5.041 2.557 414 3HD2 LEU 54 HD23 LEU 54 -6.315 -5.985 1.533 415 H VAL 55 HN VAL 55 -3.837 -10.432 5.568 416 HA VAL 55 HA VAL 55 -1.292 -9.747 6.763 417 HB VAL 55 HB VAL 55 -2.349 -12.510 6.118 418 1HG1 VAL 55 HG11 VAL 55 0.052 -12.436 6.466 419 2HG1 VAL 55 HG12 VAL 55 -0.740 -13.266 7.806 420 3HG1 VAL 55 HG13 VAL 55 -0.177 -11.606 8.007 421 1HG2 VAL 55 HG21 VAL 55 -2.579 -10.983 8.711 422 2HG2 VAL 55 HG22 VAL 55 -3.024 -12.672 8.476 423 3HG2 VAL 55 HG23 VAL 55 -3.905 -11.399 7.627 424 H LEU 56 HN LEU 56 -0.357 -8.749 5.018 425 HA LEU 56 HA LEU 56 0.367 -10.563 2.837 426 1HB LEU 56 HB2 LEU 56 0.658 -7.563 2.891 427 2HB LEU 56 HB1 LEU 56 0.967 -8.609 1.529 428 HG LEU 56 HG LEU 56 -1.733 -7.965 2.722 429 1HD1 LEU 56 HD11 LEU 56 -2.192 -7.003 0.523 430 2HD1 LEU 56 HD12 LEU 56 -0.543 -7.376 0.026 431 3HD1 LEU 56 HD13 LEU 56 -0.830 -6.214 1.320 432 1HD2 LEU 56 HD21 LEU 56 -2.711 -9.355 0.987 433 2HD2 LEU 56 HD22 LEU 56 -1.663 -10.323 2.025 434 3HD2 LEU 56 HD23 LEU 56 -1.106 -9.832 0.422 435 HA PRO 57 HA PRO 57 4.099 -10.524 5.299 436 1HB PRO 57 HB2 PRO 57 4.740 -12.898 3.757 437 2HB PRO 57 HB1 PRO 57 4.424 -12.759 5.491 438 1HG PRO 57 HG2 PRO 57 2.717 -14.003 3.809 439 2HG PRO 57 HG1 PRO 57 2.148 -13.090 5.220 440 1HD PRO 57 HD2 PRO 57 2.304 -12.261 2.353 441 2HD PRO 57 HD1 PRO 57 0.962 -12.070 3.511 442 H ILE 58 HN ILE 58 6.413 -10.773 4.731 443 HA ILE 58 HA ILE 58 7.017 -8.826 2.817 444 HB ILE 58 HB ILE 58 8.763 -10.558 4.536 445 1HG1 ILE 58 HG12 ILE 58 9.574 -8.242 5.249 446 2HG1 ILE 58 HG11 ILE 58 8.312 -7.656 4.158 447 1HG2 ILE 58 HG21 ILE 58 10.801 -9.520 3.672 448 2HG2 ILE 58 HG22 ILE 58 9.858 -8.755 2.389 449 3HG2 ILE 58 HG23 ILE 58 10.002 -10.509 2.446 450 1HD1 ILE 58 HD11 ILE 58 7.827 -9.349 6.593 451 2HD1 ILE 58 HD12 ILE 58 6.607 -8.662 5.524 452 3HD1 ILE 58 HD13 ILE 58 7.618 -7.599 6.508 453 H ARG 59 HN ARG 59 7.427 -12.292 2.593 454 HA ARG 59 HA ARG 59 8.672 -12.347 0.109 455 1HB ARG 59 HB2 ARG 59 7.944 -14.643 -0.210 456 2HB ARG 59 HB1 ARG 59 8.441 -14.395 1.451 457 1HG ARG 59 HG2 ARG 59 5.549 -14.348 0.612 458 2HG ARG 59 HG1 ARG 59 6.393 -15.835 1.036 459 1HD ARG 59 HD2 ARG 59 6.138 -13.427 2.816 460 2HD ARG 59 HD1 ARG 59 5.088 -14.847 2.915 461 HE ARG 59 HE ARG 59 8.009 -14.908 3.368 462 1HH1 ARG 59 HH11 ARG 59 4.749 -16.037 4.263 463 2HH1 ARG 59 HH12 ARG 59 5.276 -16.938 5.582 464 1HH2 ARG 59 HH21 ARG 59 8.734 -16.106 5.131 465 2HH2 ARG 59 HH22 ARG 59 7.675 -17.010 6.105 466 H GLU 60 HN GLU 60 5.437 -11.461 0.761 467 HA GLU 60 HA GLU 60 4.590 -11.754 -2.034 468 1HB GLU 60 HB2 GLU 60 3.157 -10.698 0.416 469 2HB GLU 60 HB1 GLU 60 2.436 -10.892 -1.173 470 1HG GLU 60 HG2 GLU 60 3.537 -13.157 0.469 471 2HG GLU 60 HG1 GLU 60 1.848 -12.647 0.473 472 H VAL 61 HN VAL 61 5.039 -9.320 0.484 473 HA VAL 61 HA VAL 61 4.348 -7.086 -1.047 474 HB VAL 61 HB VAL 61 6.123 -7.194 1.423 475 1HG1 VAL 61 HG11 VAL 61 5.470 -4.866 1.788 476 2HG1 VAL 61 HG12 VAL 61 4.584 -4.873 0.263 477 3HG1 VAL 61 HG13 VAL 61 6.339 -5.049 0.264 478 1HG2 VAL 61 HG21 VAL 61 3.156 -6.760 1.155 479 2HG2 VAL 61 HG22 VAL 61 4.080 -6.636 2.653 480 3HG2 VAL 61 HG23 VAL 61 3.950 -8.186 1.820 481 H ARG 62 HN ARG 62 7.320 -8.830 -0.830 482 HA ARG 62 HA ARG 62 9.098 -6.934 -1.784 483 1HB ARG 62 HB2 ARG 62 9.094 -9.895 -1.873 484 2HB ARG 62 HB1 ARG 62 10.298 -9.026 -2.809 485 1HG ARG 62 HG2 ARG 62 10.996 -7.867 -0.772 486 2HG ARG 62 HG1 ARG 62 9.833 -8.824 0.149 487 1HD ARG 62 HD2 ARG 62 10.943 -10.871 -0.428 488 2HD ARG 62 HD1 ARG 62 12.033 -10.025 -1.525 489 HE ARG 62 HE ARG 62 12.662 -8.804 0.685 490 1HH1 ARG 62 HH11 ARG 62 11.986 -12.308 0.339 491 2HH1 ARG 62 HH12 ARG 62 13.061 -12.752 1.558 492 1HH2 ARG 62 HH21 ARG 62 14.149 -9.451 2.302 493 2HH2 ARG 62 HH22 ARG 62 14.380 -11.096 2.699 494 H GLN 63 HN GLN 63 6.643 -8.616 -3.572 495 HA GLN 63 HA GLN 63 7.955 -7.861 -6.069 496 1HB GLN 63 HB2 GLN 63 5.582 -9.682 -5.640 497 2HB GLN 63 HB1 GLN 63 6.161 -9.189 -7.218 498 1HG GLN 63 HG2 GLN 63 7.079 -11.302 -6.915 499 2HG GLN 63 HG1 GLN 63 8.388 -10.201 -6.508 500 1HE2 GLN 63 HE21 GLN 63 5.673 -10.933 -4.448 501 2HE2 GLN 63 HE22 GLN 63 6.609 -11.743 -3.237 502 H LEU 64 HN LEU 64 5.983 -6.494 -3.952 503 HA LEU 64 HA LEU 64 4.071 -5.403 -5.776 504 1HB LEU 64 HB2 LEU 64 4.890 -4.418 -3.036 505 2HB LEU 64 HB1 LEU 64 3.518 -3.823 -3.951 506 HG LEU 64 HG LEU 64 3.834 -6.599 -2.800 507 1HD1 LEU 64 HD11 LEU 64 1.965 -5.973 -1.372 508 2HD1 LEU 64 HD12 LEU 64 1.979 -4.351 -2.068 509 3HD1 LEU 64 HD13 LEU 64 3.357 -4.917 -1.127 510 1HD2 LEU 64 HD21 LEU 64 2.616 -6.693 -4.912 511 2HD2 LEU 64 HD22 LEU 64 1.539 -5.412 -4.359 512 3HD2 LEU 64 HD23 LEU 64 1.531 -6.980 -3.552 513 H THR 65 HN THR 65 4.259 -3.633 -7.030 514 HA THR 65 HA THR 65 6.906 -2.515 -7.204 515 HB THR 65 HB THR 65 6.018 -1.821 -9.465 516 HG1 THR 65 HG1 THR 65 4.028 -2.776 -10.068 517 1HG2 THR 65 HG21 THR 65 5.876 -4.678 -8.668 518 2HG2 THR 65 HG22 THR 65 7.370 -3.795 -9.046 519 3HG2 THR 65 HG23 THR 65 6.149 -4.097 -10.319 520 H LEU 66 HN LEU 66 6.719 -1.049 -5.537 521 HA LEU 66 HA LEU 66 6.115 0.817 -4.355 522 1HB LEU 66 HB2 LEU 66 7.767 1.360 -6.267 523 2HB LEU 66 HB1 LEU 66 6.429 2.198 -7.011 524 HG LEU 66 HG LEU 66 7.956 3.725 -5.828 525 1HD1 LEU 66 HD11 LEU 66 6.333 4.968 -4.502 526 2HD1 LEU 66 HD12 LEU 66 5.257 3.569 -4.514 527 3HD1 LEU 66 HD13 LEU 66 5.640 4.402 -6.022 528 1HD2 LEU 66 HD21 LEU 66 8.732 2.223 -4.091 529 2HD2 LEU 66 HD22 LEU 66 7.132 2.227 -3.348 530 3HD2 LEU 66 HD23 LEU 66 8.090 3.707 -3.387 531 H ARG 67 HN ARG 67 4.525 1.763 -7.389 532 HA ARG 67 HA ARG 67 2.359 2.961 -5.974 533 1HB ARG 67 HB2 ARG 67 3.083 2.658 -8.822 534 2HB ARG 67 HB1 ARG 67 1.410 3.053 -8.434 535 1HG ARG 67 HG2 ARG 67 3.832 4.625 -7.551 536 2HG ARG 67 HG1 ARG 67 2.721 5.077 -8.852 537 1HD ARG 67 HD2 ARG 67 0.861 5.022 -7.184 538 2HD ARG 67 HD1 ARG 67 2.057 4.732 -5.948 539 HE ARG 67 HE ARG 67 2.878 6.907 -6.176 540 1HH1 ARG 67 HH11 ARG 67 0.181 6.388 -8.429 541 2HH1 ARG 67 HH12 ARG 67 -0.318 8.015 -8.419 542 1HH2 ARG 67 HH21 ARG 67 2.138 9.164 -6.127 543 2HH2 ARG 67 HH22 ARG 67 0.777 9.594 -7.060 544 H LYS 68 HN LYS 68 2.912 -0.210 -6.899 545 HA LYS 68 HA LYS 68 0.164 -0.987 -7.155 546 1HB LYS 68 HB2 LYS 68 2.070 -2.366 -8.042 547 2HB LYS 68 HB1 LYS 68 2.551 -2.658 -6.374 548 1HG LYS 68 HG2 LYS 68 0.644 -3.954 -5.933 549 2HG LYS 68 HG1 LYS 68 -0.110 -3.496 -7.463 550 1HD LYS 68 HD2 LYS 68 1.573 -4.700 -8.703 551 2HD LYS 68 HD1 LYS 68 2.470 -5.030 -7.217 552 1HE LYS 68 HE2 LYS 68 0.726 -6.422 -6.387 553 2HE LYS 68 HE1 LYS 68 -0.350 -5.952 -7.698 554 1HZ LYS 68 HZ1 LYS 68 0.837 -7.162 -9.217 555 2HZ LYS 68 HZ2 LYS 68 0.824 -8.193 -7.844 556 3HZ LYS 68 HZ3 LYS 68 2.215 -7.313 -8.257 557 H LEU 69 HN LEU 69 2.275 -0.280 -4.633 558 HA LEU 69 HA LEU 69 1.081 -1.587 -2.444 559 1HB LEU 69 HB2 LEU 69 2.624 0.975 -2.598 560 2HB LEU 69 HB1 LEU 69 1.844 0.524 -1.099 561 HG LEU 69 HG LEU 69 4.228 -0.050 -1.125 562 1HD1 LEU 69 HD11 LEU 69 2.731 -1.360 0.243 563 2HD1 LEU 69 HD12 LEU 69 4.025 -2.369 -0.409 564 3HD1 LEU 69 HD13 LEU 69 2.411 -2.444 -1.111 565 1HD2 LEU 69 HD21 LEU 69 5.054 -1.862 -2.546 566 2HD2 LEU 69 HD22 LEU 69 4.503 -0.495 -3.509 567 3HD2 LEU 69 HD23 LEU 69 3.491 -1.931 -3.360 568 H GLN 70 HN GLN 70 0.218 1.566 -3.807 569 HA GLN 70 HA GLN 70 -1.915 1.991 -1.934 570 1HB GLN 70 HB2 GLN 70 -2.578 3.886 -3.364 571 2HB GLN 70 HB1 GLN 70 -0.872 3.925 -2.937 572 1HG GLN 70 HG2 GLN 70 -0.184 3.364 -5.030 573 2HG GLN 70 HG1 GLN 70 -1.756 2.710 -5.528 574 1HE2 GLN 70 HE21 GLN 70 -1.963 3.936 -7.301 575 2HE2 GLN 70 HE22 GLN 70 -2.169 5.648 -7.297 576 H GLU 71 HN GLU 71 -1.624 0.051 -4.606 577 HA GLU 71 HA GLU 71 -4.409 0.133 -5.389 578 1HB GLU 71 HB2 GLU 71 -2.476 -0.285 -6.971 579 2HB GLU 71 HB1 GLU 71 -2.222 -1.822 -6.162 580 1HG GLU 71 HG2 GLU 71 -3.438 -2.054 -8.267 581 2HG GLU 71 HG1 GLU 71 -4.388 -2.588 -6.878 582 H MET 72 HN MET 72 -2.336 -1.405 -3.178 583 HA MET 72 HA MET 72 -4.345 -3.443 -2.483 584 1HB MET 72 HB2 MET 72 -1.367 -3.461 -1.927 585 2HB MET 72 HB1 MET 72 -2.507 -4.730 -1.525 586 1HG MET 72 HG2 MET 72 -1.654 -3.890 -4.300 587 2HG MET 72 HG1 MET 72 -1.184 -5.338 -3.436 588 1HE MET 72 HE1 MET 72 -4.544 -7.362 -3.239 589 2HE MET 72 HE2 MET 72 -3.895 -6.252 -2.032 590 3HE MET 72 HE3 MET 72 -2.821 -7.371 -2.869 591 H SER 73 HN SER 73 -3.700 -0.446 -1.621 592 HA SER 73 HA SER 73 -2.742 -0.768 1.002 593 1HB SER 73 HB2 SER 73 -3.100 1.708 1.191 594 2HB SER 73 HB1 SER 73 -2.074 1.186 -0.142 595 HG SER 73 HG SER 73 -3.568 2.749 -0.790 596 H SER 74 HN SER 74 -5.788 -1.011 -0.370 597 HA SER 74 HA SER 74 -7.904 -1.160 0.330 598 1HB SER 74 HB2 SER 74 -6.607 -1.697 3.005 599 2HB SER 74 HB1 SER 74 -8.299 -2.016 2.614 600 HG SER 74 HG SER 74 -6.138 -3.067 1.134 601 H LYS 75 HN LYS 75 -8.618 0.915 -0.070 602 HA LYS 75 HA LYS 75 -9.192 2.362 2.367 603 1HB LYS 75 HB2 LYS 75 -7.017 3.220 1.170 604 2HB LYS 75 HB1 LYS 75 -8.162 3.991 0.080 605 1HG LYS 75 HG2 LYS 75 -7.514 5.547 1.787 606 2HG LYS 75 HG1 LYS 75 -9.206 5.108 2.008 607 1HD LYS 75 HD2 LYS 75 -8.248 5.085 4.188 608 2HD LYS 75 HD1 LYS 75 -8.424 3.401 3.714 609 1HE LYS 75 HE2 LYS 75 -5.840 5.006 3.615 610 2HE LYS 75 HE1 LYS 75 -6.269 3.873 4.878 611 1HZ LYS 75 HZ1 LYS 75 -4.766 2.849 3.408 612 2HZ LYS 75 HZ2 LYS 75 -5.622 3.321 2.058 613 3HZ LYS 75 HZ3 LYS 75 -6.266 2.111 3.086 614 H ALA 76 HN ALA 76 -11.269 1.777 2.065 615 HA ALA 76 HA ALA 76 -12.639 3.104 -0.159 616 1HB ALA 76 HB1 ALA 76 -14.259 1.266 -0.159 617 2HB ALA 76 HB2 ALA 76 -13.320 0.438 1.084 618 3HB ALA 76 HB3 ALA 76 -12.633 0.689 -0.520 619 H GLY 77 HN GLY 77 -14.170 4.442 0.474 620 1HA GLY 77 HA2 GLY 77 -14.848 4.492 3.337 621 2HA GLY 77 HA1 GLY 77 -14.980 5.856 2.229 622 H SER 78 HN SER 78 -16.020 3.730 0.270 623 HA SER 78 HA SER 78 -17.976 2.982 -0.533 624 1HB SER 78 HB2 SER 78 -18.005 1.634 1.600 625 2HB SER 78 HB1 SER 78 -18.889 2.940 2.383 626 HG SER 78 HG SER 78 -20.053 1.022 1.411 627 H ASP 79 HN ASP 79 -17.367 5.676 -0.415 628 HA ASP 79 HA ASP 79 -19.749 7.159 0.272 629 1HB ASP 79 HB2 ASP 79 -17.223 8.115 -1.128 630 2HB ASP 79 HB1 ASP 79 -18.505 9.139 -0.491 631 H THR 80 HN THR 80 -21.314 6.475 -1.033 632 HA THR 80 HA THR 80 -20.893 6.783 -3.930 633 HB THR 80 HB THR 80 -22.876 4.929 -2.557 634 HG1 THR 80 HG1 THR 80 -21.277 3.637 -2.390 635 1HG2 THR 80 HG21 THR 80 -22.011 5.124 -5.458 636 2HG2 THR 80 HG22 THR 80 -23.570 5.649 -4.820 637 3HG2 THR 80 HG23 THR 80 -23.138 3.941 -4.795 638 H GLU 81 HN GLU 81 -22.875 7.606 -1.181 639 HA GLU 81 HA GLU 81 -24.659 9.156 -2.953 640 1HB GLU 81 HB2 GLU 81 -25.239 7.981 -0.239 641 2HB GLU 81 HB1 GLU 81 -26.335 8.984 -1.173 642 1HG GLU 81 HG2 GLU 81 -26.522 7.322 -2.865 643 2HG GLU 81 HG1 GLU 81 -25.271 6.339 -2.099 644 H LEU 82 HN LEU 82 -22.948 9.038 0.123 645 HA LEU 82 HA LEU 82 -23.330 11.925 0.400 646 1HB LEU 82 HB2 LEU 82 -22.622 9.820 2.458 647 2HB LEU 82 HB1 LEU 82 -22.574 11.536 2.771 648 HG LEU 82 HG LEU 82 -25.076 11.560 2.277 649 1HD1 LEU 82 HD11 LEU 82 -24.776 8.583 2.604 650 2HD1 LEU 82 HD12 LEU 82 -25.263 9.425 1.135 651 3HD1 LEU 82 HD13 LEU 82 -26.296 9.478 2.560 652 1HD2 LEU 82 HD21 LEU 82 -24.070 9.999 4.647 653 2HD2 LEU 82 HD22 LEU 82 -25.646 10.785 4.525 654 3HD2 LEU 82 HD23 LEU 82 -24.170 11.753 4.515 655 H ALA 83 HN ALA 83 -21.630 13.184 0.089 656 HA ALA 83 HA ALA 83 -19.544 13.934 -0.336 657 1HB ALA 83 HB1 ALA 83 -17.732 13.122 1.092 658 2HB ALA 83 HB2 ALA 83 -18.698 11.721 1.545 659 3HB ALA 83 HB3 ALA 83 -19.207 13.334 2.035 660 H ALA 84 HN ALA 84 -20.653 12.024 -2.101 661 HA ALA 84 HA ALA 84 -18.614 10.116 -2.808 662 1HB ALA 84 HB1 ALA 84 -20.977 9.558 -3.030 663 2HB ALA 84 HB2 ALA 84 -20.150 9.495 -4.588 664 3HB ALA 84 HB3 ALA 84 -21.178 10.869 -4.193 665 HA PRO 85 HA PRO 85 -16.593 12.800 -5.758 666 1HB PRO 85 HB2 PRO 85 -15.729 10.342 -7.143 667 2HB PRO 85 HB1 PRO 85 -14.734 11.567 -6.352 668 1HG PRO 85 HG2 PRO 85 -15.052 9.100 -5.310 669 2HG PRO 85 HG1 PRO 85 -14.867 10.539 -4.289 670 1HD PRO 85 HD2 PRO 85 -17.351 9.019 -5.005 671 2HD PRO 85 HD1 PRO 85 -16.875 9.724 -3.446 672 H LYS 86 HN LYS 86 -18.732 10.455 -6.341 673 HA LYS 86 HA LYS 86 -19.236 11.012 -9.174 674 1HB LYS 86 HB2 LYS 86 -20.528 8.974 -7.319 675 2HB LYS 86 HB1 LYS 86 -21.002 9.192 -8.991 676 1HG LYS 86 HG2 LYS 86 -19.599 7.273 -8.906 677 2HG LYS 86 HG1 LYS 86 -18.644 8.558 -9.639 678 1HD LYS 86 HD2 LYS 86 -17.561 8.954 -7.449 679 2HD LYS 86 HD1 LYS 86 -18.493 7.622 -6.767 680 1HE LYS 86 HE2 LYS 86 -16.476 7.415 -9.006 681 2HE LYS 86 HE1 LYS 86 -16.201 6.948 -7.327 682 1HZ LYS 86 HZ1 LYS 86 -18.078 5.314 -7.640 683 2HZ LYS 86 HZ2 LYS 86 -16.672 5.005 -8.490 684 3HZ LYS 86 HZ3 LYS 86 -17.989 5.626 -9.313 685 H SER 87 HN SER 87 -19.620 13.134 -7.581 686 HA SER 87 HA SER 87 -22.219 13.965 -8.304 687 1HB SER 87 HB2 SER 87 -22.707 12.864 -6.066 688 2HB SER 87 HB1 SER 87 -21.544 13.962 -5.326 689 HG SER 87 HG SER 87 -22.858 15.687 -5.788 690 H LYS 88 HN LYS 88 -21.394 15.660 -9.366 691 HA LYS 88 HA LYS 88 -19.392 17.288 -7.956 692 1HB LYS 88 HB2 LYS 88 -19.768 16.863 -10.926 693 2HB LYS 88 HB1 LYS 88 -18.609 17.970 -10.203 694 1HG LYS 88 HG2 LYS 88 -17.428 16.150 -9.167 695 2HG LYS 88 HG1 LYS 88 -18.651 15.002 -9.712 696 1HD LYS 88 HD2 LYS 88 -18.052 15.444 -12.028 697 2HD LYS 88 HD1 LYS 88 -16.873 16.646 -11.503 698 1HE LYS 88 HE2 LYS 88 -15.806 14.500 -12.047 699 2HE LYS 88 HE1 LYS 88 -15.592 14.944 -10.357 700 1HZ LYS 88 HZ1 LYS 88 -16.165 12.576 -10.728 701 2HZ LYS 88 HZ2 LYS 88 -17.711 13.040 -11.258 702 3HZ LYS 88 HZ3 LYS 88 -17.210 13.360 -9.697 703 H ASN 89 HN ASN 89 -22.523 17.243 -8.563 704 HA ASN 89 HA ASN 89 -22.724 20.147 -8.600 705 1HB ASN 89 HB2 ASN 89 -24.435 18.316 -10.326 706 2HB ASN 89 HB1 ASN 89 -24.662 20.046 -10.141 707 1HD2 ASN 89 HD21 ASN 89 -23.279 21.441 -11.203 708 2HD2 ASN 89 HD22 ASN 89 -22.211 20.903 -12.454 Start of MODEL 23 1 1H GLY 1 HT1 GLY 1 -14.286 9.063 8.112 2 2H GLY 1 HT2 GLY 1 -15.276 8.810 9.432 3 3H GLY 1 HT3 GLY 1 -15.149 7.607 8.269 4 1HA GLY 1 HA1 GLY 1 -13.825 7.017 10.185 5 2HA GLY 1 HA2 GLY 1 -12.755 7.404 8.836 6 H ASP 2 HN ASP 2 -14.091 8.485 11.844 7 HA ASP 2 HA ASP 2 -12.445 10.890 11.782 8 1HB ASP 2 HB2 ASP 2 -13.697 11.688 13.639 9 2HB ASP 2 HB1 ASP 2 -14.875 10.949 12.566 10 H GLY 3 HN GLY 3 -10.994 11.335 13.412 11 1HA GLY 3 HA2 GLY 3 -9.522 10.851 15.139 12 2HA GLY 3 HA1 GLY 3 -10.248 9.253 15.281 13 H GLU 4 HN GLU 4 -9.395 7.618 14.289 14 HA GLU 4 HA GLU 4 -6.766 7.916 13.154 15 1HB GLU 4 HB2 GLU 4 -8.464 5.509 13.690 16 2HB GLU 4 HB1 GLU 4 -6.881 5.434 12.949 17 1HG GLU 4 HG2 GLU 4 -5.934 6.434 14.992 18 2HG GLU 4 HG1 GLU 4 -7.544 6.371 15.720 19 H ALA 5 HN ALA 5 -6.250 7.836 11.131 20 HA ALA 5 HA ALA 5 -8.230 7.013 9.143 21 1HB ALA 5 HB1 ALA 5 -6.672 8.083 7.525 22 2HB ALA 5 HB2 ALA 5 -5.615 8.521 8.868 23 3HB ALA 5 HB3 ALA 5 -7.228 9.221 8.755 24 H GLN 6 HN GLN 6 -7.185 5.638 7.354 25 HA GLN 6 HA GLN 6 -6.012 3.380 8.619 26 1HB GLN 6 HB2 GLN 6 -7.483 3.075 6.732 27 2HB GLN 6 HB1 GLN 6 -6.423 4.031 5.705 28 1HG GLN 6 HG2 GLN 6 -4.648 2.317 6.061 29 2HG GLN 6 HG1 GLN 6 -5.845 1.332 6.899 30 1HE2 GLN 6 HE21 GLN 6 -5.623 -0.281 5.364 31 2HE2 GLN 6 HE22 GLN 6 -6.239 -0.129 3.759 32 H ARG 7 HN ARG 7 -4.790 6.127 6.857 33 HA ARG 7 HA ARG 7 -2.775 6.921 6.441 34 1HB ARG 7 HB2 ARG 7 -1.672 5.981 8.371 35 2HB ARG 7 HB1 ARG 7 -1.759 4.364 7.711 36 1HG ARG 7 HG2 ARG 7 -0.060 4.888 6.098 37 2HG ARG 7 HG1 ARG 7 -0.036 6.579 6.613 38 1HD ARG 7 HD2 ARG 7 0.675 5.934 8.837 39 2HD ARG 7 HD1 ARG 7 0.557 4.234 8.412 40 HE ARG 7 HE ARG 7 2.503 4.419 7.158 41 1HH1 ARG 7 HH11 ARG 7 1.699 7.579 8.487 42 2HH1 ARG 7 HH12 ARG 7 3.315 8.079 8.677 43 1HH2 ARG 7 HH21 ARG 7 4.707 5.067 7.407 44 2HH2 ARG 7 HH22 ARG 7 5.081 6.615 8.036 45 H ASP 8 HN ASP 8 -1.633 7.000 4.597 46 HA ASP 8 HA ASP 8 -2.711 5.234 2.568 47 1HB ASP 8 HB2 ASP 8 -0.923 7.633 2.394 48 2HB ASP 8 HB1 ASP 8 -1.331 6.664 0.986 49 H LEU 9 HN LEU 9 -1.585 3.829 1.370 50 HA LEU 9 HA LEU 9 0.635 2.570 2.574 51 1HB LEU 9 HB2 LEU 9 -0.960 2.250 0.097 52 2HB LEU 9 HB1 LEU 9 0.608 1.491 0.112 53 HG LEU 9 HG LEU 9 -1.303 0.003 0.712 54 1HD1 LEU 9 HD11 LEU 9 0.940 -0.575 1.306 55 2HD1 LEU 9 HD12 LEU 9 -0.164 -1.064 2.583 56 3HD1 LEU 9 HD13 LEU 9 0.846 0.376 2.792 57 1HD2 LEU 9 HD21 LEU 9 -2.236 0.160 2.985 58 2HD2 LEU 9 HD22 LEU 9 -2.616 1.599 2.027 59 3HD2 LEU 9 HD23 LEU 9 -1.332 1.659 3.230 60 H VAL 10 HN VAL 10 0.297 4.811 -0.082 61 HA VAL 10 HA VAL 10 3.059 4.597 -0.719 62 HB VAL 10 HB VAL 10 0.881 6.406 -1.807 63 1HG1 VAL 10 HG11 VAL 10 2.427 7.041 -3.589 64 2HG1 VAL 10 HG12 VAL 10 3.732 6.159 -2.795 65 3HG1 VAL 10 HG13 VAL 10 3.038 7.589 -2.026 66 1HG2 VAL 10 HG21 VAL 10 0.691 4.067 -2.347 67 2HG2 VAL 10 HG22 VAL 10 2.355 4.047 -2.933 68 3HG2 VAL 10 HG23 VAL 10 1.131 4.996 -3.779 69 H LYS 11 HN LYS 11 1.118 6.627 1.305 70 HA LYS 11 HA LYS 11 3.291 8.513 1.662 71 1HB LYS 11 HB2 LYS 11 0.587 8.336 3.034 72 2HB LYS 11 HB1 LYS 11 1.852 9.455 3.484 73 1HG LYS 11 HG2 LYS 11 0.143 10.554 2.125 74 2HG LYS 11 HG1 LYS 11 1.710 10.574 1.331 75 1HD LYS 11 HD2 LYS 11 1.043 8.921 -0.225 76 2HD LYS 11 HD1 LYS 11 -0.403 8.514 0.697 77 1HE LYS 11 HE2 LYS 11 0.145 11.104 -0.733 78 2HE LYS 11 HE1 LYS 11 -0.946 9.832 -1.269 79 1HZ LYS 11 HZ1 LYS 11 -1.279 11.580 1.134 80 2HZ LYS 11 HZ2 LYS 11 -2.189 10.204 0.899 81 3HZ LYS 11 HZ3 LYS 11 -2.295 11.474 -0.208 82 H ALA 12 HN ALA 12 2.889 5.520 2.519 83 HA ALA 12 HA ALA 12 4.186 5.777 5.135 84 1HB ALA 12 HB1 ALA 12 3.606 3.404 5.448 85 2HB ALA 12 HB2 ALA 12 2.877 3.368 3.845 86 3HB ALA 12 HB3 ALA 12 2.166 4.361 5.110 87 H VAL 13 HN VAL 13 4.256 3.574 2.354 88 HA VAL 13 HA VAL 13 6.912 2.717 2.833 89 HB VAL 13 HB VAL 13 5.208 2.387 0.351 90 1HG1 VAL 13 HG11 VAL 13 6.646 0.471 -0.157 91 2HG1 VAL 13 HG12 VAL 13 7.666 0.876 1.228 92 3HG1 VAL 13 HG13 VAL 13 7.548 1.987 -0.139 93 1HG2 VAL 13 HG21 VAL 13 4.133 1.472 2.328 94 2HG2 VAL 13 HG22 VAL 13 5.593 0.561 2.718 95 3HG2 VAL 13 HG23 VAL 13 4.678 0.181 1.259 96 H ALA 14 HN ALA 14 5.546 4.682 0.177 97 HA ALA 14 HA ALA 14 8.043 5.201 -1.016 98 1HB ALA 14 HB1 ALA 14 5.893 5.445 -2.229 99 2HB ALA 14 HB2 ALA 14 6.869 6.912 -2.351 100 3HB ALA 14 HB3 ALA 14 5.508 6.835 -1.226 101 H HIS 15 HN HIS 15 6.362 6.673 1.577 102 HA HIS 15 HA HIS 15 7.642 9.176 1.741 103 1HB HIS 15 HB2 HIS 15 5.592 8.508 2.990 104 2HB HIS 15 HB1 HIS 15 6.584 7.480 4.010 105 HD1 HIS 15 HD1 HIS 15 5.344 10.874 3.619 106 HD2 HIS 15 HD2 HIS 15 8.328 8.995 5.797 107 HE1 HIS 15 HE1 HIS 15 5.985 12.504 5.431 108 HE2 HIS 15 HE2 HIS 15 7.345 11.060 6.959 109 H ILE 16 HN ILE 16 8.606 5.976 2.797 110 HA ILE 16 HA ILE 16 10.754 6.881 4.442 111 HB ILE 16 HB ILE 16 10.083 4.130 3.343 112 1HG1 ILE 16 HG12 ILE 16 8.381 4.933 4.826 113 2HG1 ILE 16 HG11 ILE 16 9.315 3.695 5.659 114 1HG2 ILE 16 HG21 ILE 16 12.465 4.198 3.877 115 2HG2 ILE 16 HG22 ILE 16 11.568 3.196 5.021 116 3HG2 ILE 16 HG23 ILE 16 12.091 4.810 5.496 117 1HD1 ILE 16 HD11 ILE 16 8.790 5.561 7.133 118 2HD1 ILE 16 HD12 ILE 16 9.596 6.675 6.028 119 3HD1 ILE 16 HD13 ILE 16 10.530 5.438 6.871 120 H LEU 17 HN LEU 17 10.423 5.782 1.139 121 HA LEU 17 HA LEU 17 13.231 5.928 0.571 122 1HB LEU 17 HB2 LEU 17 10.824 5.834 -1.241 123 2HB LEU 17 HB1 LEU 17 12.470 5.889 -1.842 124 HG LEU 17 HG LEU 17 11.317 3.694 -0.125 125 1HD1 LEU 17 HD11 LEU 17 11.433 2.339 -2.155 126 2HD1 LEU 17 HD12 LEU 17 11.963 3.749 -3.072 127 3HD1 LEU 17 HD13 LEU 17 10.345 3.709 -2.368 128 1HD2 LEU 17 HD21 LEU 17 13.979 3.939 -1.528 129 2HD2 LEU 17 HD22 LEU 17 13.395 2.513 -0.665 130 3HD2 LEU 17 HD23 LEU 17 13.705 4.010 0.213 131 H GLY 18 HN GLY 18 10.625 8.163 0.612 132 1HA GLY 18 HA2 GLY 18 11.053 10.512 0.830 133 2HA GLY 18 HA1 GLY 18 12.486 10.301 -0.174 134 H ILE 19 HN ILE 19 9.601 8.700 -1.062 135 HA ILE 19 HA ILE 19 9.232 10.642 -3.184 136 HB ILE 19 HB ILE 19 8.228 8.588 -4.404 137 1HG1 ILE 19 HG12 ILE 19 10.276 7.244 -2.638 138 2HG1 ILE 19 HG11 ILE 19 8.541 6.958 -2.636 139 1HG2 ILE 19 HG21 ILE 19 10.046 9.942 -5.276 140 2HG2 ILE 19 HG22 ILE 19 10.405 8.233 -5.541 141 3HG2 ILE 19 HG23 ILE 19 11.199 9.107 -4.232 142 1HD1 ILE 19 HD11 ILE 19 9.721 5.176 -3.783 143 2HD1 ILE 19 HD12 ILE 19 10.439 6.346 -4.892 144 3HD1 ILE 19 HD13 ILE 19 8.698 6.066 -4.913 145 H ARG 20 HN ARG 20 7.266 10.666 -4.143 146 HA ARG 20 HA ARG 20 4.878 9.505 -3.290 147 1HB ARG 20 HB2 ARG 20 5.001 10.992 -1.321 148 2HB ARG 20 HB1 ARG 20 5.284 12.383 -2.368 149 1HG ARG 20 HG2 ARG 20 3.105 12.127 -3.349 150 2HG ARG 20 HG1 ARG 20 2.792 10.693 -2.385 151 1HD ARG 20 HD2 ARG 20 2.815 12.041 -0.364 152 2HD ARG 20 HD1 ARG 20 3.336 13.456 -1.281 153 HE ARG 20 HE ARG 20 0.934 12.436 -2.334 154 1HH1 ARG 20 HH11 ARG 20 2.060 14.142 0.591 155 2HH1 ARG 20 HH12 ARG 20 0.669 15.128 0.695 156 1HH2 ARG 20 HH21 ARG 20 -1.011 13.837 -2.102 157 2HH2 ARG 20 HH22 ARG 20 -1.040 14.961 -0.808 158 H ASP 21 HN ASP 21 6.743 11.907 -4.782 159 HA ASP 21 HA ASP 21 5.082 12.990 -6.726 160 1HB ASP 21 HB2 ASP 21 7.927 12.256 -7.300 161 2HB ASP 21 HB1 ASP 21 7.079 13.752 -7.662 162 H LEU 22 HN LEU 22 7.571 10.657 -7.514 163 HA LEU 22 HA LEU 22 7.575 8.728 -8.686 164 1HB LEU 22 HB2 LEU 22 4.666 8.845 -8.040 165 2HB LEU 22 HB1 LEU 22 5.279 7.617 -9.122 166 HG LEU 22 HG LEU 22 4.911 6.826 -6.937 167 1HD1 LEU 22 HD11 LEU 22 7.842 6.996 -7.636 168 2HD1 LEU 22 HD12 LEU 22 6.691 5.804 -8.223 169 3HD1 LEU 22 HD13 LEU 22 7.165 5.811 -6.519 170 1HD2 LEU 22 HD21 LEU 22 6.337 7.448 -5.019 171 2HD2 LEU 22 HD22 LEU 22 5.257 8.726 -5.558 172 3HD2 LEU 22 HD23 LEU 22 6.969 8.786 -5.975 173 H ALA 23 HN ALA 23 6.990 11.455 -9.908 174 HA ALA 23 HA ALA 23 5.583 10.754 -12.299 175 1HB ALA 23 HB1 ALA 23 5.431 13.039 -11.426 176 2HB ALA 23 HB2 ALA 23 6.079 13.025 -13.067 177 3HB ALA 23 HB3 ALA 23 7.161 13.254 -11.695 178 H GLY 24 HN GLY 24 8.652 10.569 -11.154 179 1HA GLY 24 HA2 GLY 24 9.564 9.493 -13.695 180 2HA GLY 24 HA1 GLY 24 10.555 10.786 -12.994 181 H ILE 25 HN ILE 25 8.895 7.888 -11.828 182 HA ILE 25 HA ILE 25 11.418 6.942 -10.669 183 HB ILE 25 HB ILE 25 8.715 6.836 -9.264 184 1HG1 ILE 25 HG12 ILE 25 9.624 9.147 -9.245 185 2HG1 ILE 25 HG11 ILE 25 9.544 8.442 -7.640 186 1HG2 ILE 25 HG21 ILE 25 9.961 6.028 -7.317 187 2HG2 ILE 25 HG22 ILE 25 11.439 6.021 -8.279 188 3HG2 ILE 25 HG23 ILE 25 10.106 4.947 -8.703 189 1HD1 ILE 25 HD11 ILE 25 12.018 8.725 -9.334 190 2HD1 ILE 25 HD12 ILE 25 11.946 8.017 -7.717 191 3HD1 ILE 25 HD13 ILE 25 11.572 9.725 -7.948 192 H ASN 26 HN ASN 26 11.573 4.655 -10.730 193 HA ASN 26 HA ASN 26 10.153 3.317 -12.787 194 1HB ASN 26 HB2 ASN 26 11.898 2.153 -10.595 195 2HB ASN 26 HB1 ASN 26 11.301 1.250 -11.975 196 1HD2 ASN 26 HD21 ASN 26 13.998 1.551 -11.240 197 2HD2 ASN 26 HD22 ASN 26 14.812 2.391 -12.495 198 H LEU 27 HN LEU 27 8.217 2.303 -12.744 199 HA LEU 27 HA LEU 27 7.191 1.494 -10.117 200 1HB LEU 27 HB2 LEU 27 5.647 2.658 -12.431 201 2HB LEU 27 HB1 LEU 27 4.903 1.941 -11.019 202 HG LEU 27 HG LEU 27 6.622 4.420 -11.059 203 1HD1 LEU 27 HD11 LEU 27 4.380 4.776 -11.985 204 2HD1 LEU 27 HD12 LEU 27 4.555 5.573 -10.420 205 3HD1 LEU 27 HD13 LEU 27 3.664 4.070 -10.536 206 1HD2 LEU 27 HD21 LEU 27 6.976 3.183 -9.004 207 2HD2 LEU 27 HD22 LEU 27 5.236 3.016 -8.782 208 3HD2 LEU 27 HD23 LEU 27 5.985 4.608 -8.685 209 H ASP 28 HN ASP 28 8.463 0.170 -12.738 210 HA ASP 28 HA ASP 28 6.513 -2.036 -12.797 211 1HB ASP 28 HB2 ASP 28 8.844 -1.444 -14.647 212 2HB ASP 28 HB1 ASP 28 7.818 -2.866 -14.764 213 H SER 29 HN SER 29 9.081 -1.042 -11.197 214 HA SER 29 HA SER 29 10.519 -3.550 -11.086 215 1HB SER 29 HB2 SER 29 11.049 -0.905 -9.744 216 2HB SER 29 HB1 SER 29 12.140 -2.291 -9.796 217 HG SER 29 HG SER 29 12.745 -0.912 -11.379 218 H SER 30 HN SER 30 10.490 -4.882 -9.394 219 HA SER 30 HA SER 30 8.435 -4.906 -7.494 220 1HB SER 30 HB2 SER 30 11.136 -6.241 -7.429 221 2HB SER 30 HB1 SER 30 9.710 -6.770 -6.553 222 HG SER 30 HG SER 30 8.817 -6.781 -8.939 223 H LEU 31 HN LEU 31 8.608 -4.564 -5.149 224 HA LEU 31 HA LEU 31 9.888 -2.201 -4.349 225 1HB LEU 31 HB2 LEU 31 7.861 -3.317 -3.268 226 2HB LEU 31 HB1 LEU 31 8.977 -4.420 -2.502 227 HG LEU 31 HG LEU 31 10.008 -2.438 -1.358 228 1HD1 LEU 31 HD11 LEU 31 9.293 -0.738 -2.953 229 2HD1 LEU 31 HD12 LEU 31 8.705 -0.365 -1.324 230 3HD1 LEU 31 HD13 LEU 31 7.613 -1.063 -2.527 231 1HD2 LEU 31 HD21 LEU 31 8.180 -2.172 0.240 232 2HD2 LEU 31 HD22 LEU 31 8.361 -3.857 -0.244 233 3HD2 LEU 31 HD23 LEU 31 7.059 -2.878 -0.923 234 H ALA 32 HN ALA 32 10.891 -5.522 -4.242 235 HA ALA 32 HA ALA 32 13.050 -5.164 -2.445 236 1HB ALA 32 HB1 ALA 32 12.617 -7.329 -4.496 237 2HB ALA 32 HB2 ALA 32 12.081 -7.356 -2.815 238 3HB ALA 32 HB3 ALA 32 13.802 -7.382 -3.191 239 H ASP 33 HN ASP 33 12.612 -4.855 -5.862 240 HA ASP 33 HA ASP 33 15.375 -4.786 -6.615 241 1HB ASP 33 HB2 ASP 33 13.483 -5.393 -8.168 242 2HB ASP 33 HB1 ASP 33 12.976 -3.709 -8.124 243 H LEU 34 HN LEU 34 12.983 -2.613 -5.542 244 HA LEU 34 HA LEU 34 14.358 -0.145 -6.064 245 1HB LEU 34 HB2 LEU 34 12.335 -0.643 -3.887 246 2HB LEU 34 HB1 LEU 34 12.682 0.866 -4.705 247 HG LEU 34 HG LEU 34 11.291 -1.523 -5.896 248 1HD1 LEU 34 HD11 LEU 34 9.318 -0.099 -5.877 249 2HD1 LEU 34 HD12 LEU 34 10.236 1.135 -4.994 250 3HD1 LEU 34 HD13 LEU 34 9.959 -0.456 -4.274 251 1HD2 LEU 34 HD21 LEU 34 11.797 1.204 -7.066 252 2HD2 LEU 34 HD22 LEU 34 10.795 -0.077 -7.763 253 3HD2 LEU 34 HD23 LEU 34 12.537 -0.320 -7.583 254 H GLY 35 HN GLY 35 13.786 -2.232 -3.278 255 1HA GLY 35 HA2 GLY 35 15.593 -2.853 -1.829 256 2HA GLY 35 HA1 GLY 35 16.260 -1.239 -2.057 257 H LEU 36 HN LEU 36 13.711 -3.092 -0.558 258 HA LEU 36 HA LEU 36 12.828 -0.775 0.897 259 1HB LEU 36 HB2 LEU 36 11.033 -2.135 1.750 260 2HB LEU 36 HB1 LEU 36 11.281 -2.639 0.121 261 HG LEU 36 HG LEU 36 12.749 -4.533 1.261 262 1HD1 LEU 36 HD11 LEU 36 10.736 -3.827 3.385 263 2HD1 LEU 36 HD12 LEU 36 12.487 -3.679 3.539 264 3HD1 LEU 36 HD13 LEU 36 11.743 -5.276 3.364 265 1HD2 LEU 36 HD21 LEU 36 10.762 -5.963 1.212 266 2HD2 LEU 36 HD22 LEU 36 10.825 -4.887 -0.184 267 3HD2 LEU 36 HD23 LEU 36 9.738 -4.528 1.155 268 H ASP 37 HN ASP 37 13.243 -0.368 3.057 269 HA ASP 37 HA ASP 37 15.880 -1.078 3.790 270 1HB ASP 37 HB2 ASP 37 15.600 0.491 5.641 271 2HB ASP 37 HB1 ASP 37 14.919 1.187 4.180 272 H SER 38 HN SER 38 12.868 -1.483 5.487 273 HA SER 38 HA SER 38 12.998 -4.102 6.284 274 1HB SER 38 HB2 SER 38 15.047 -3.445 7.575 275 2HB SER 38 HB1 SER 38 14.115 -2.193 8.391 276 HG SER 38 HG SER 38 13.787 -3.643 9.757 277 H LEU 39 HN LEU 39 12.425 -0.763 7.400 278 HA LEU 39 HA LEU 39 10.027 -1.263 8.781 279 1HB LEU 39 HB2 LEU 39 11.366 0.756 9.099 280 2HB LEU 39 HB1 LEU 39 11.046 1.242 7.447 281 HG LEU 39 HG LEU 39 8.611 1.323 8.055 282 1HD1 LEU 39 HD11 LEU 39 8.036 1.562 10.419 283 2HD1 LEU 39 HD12 LEU 39 9.687 1.115 10.856 284 3HD1 LEU 39 HD13 LEU 39 8.645 -0.049 10.040 285 1HD2 LEU 39 HD21 LEU 39 10.516 3.174 9.468 286 2HD2 LEU 39 HD22 LEU 39 8.811 3.508 9.110 287 3HD2 LEU 39 HD23 LEU 39 9.963 3.271 7.794 288 H MET 40 HN MET 40 10.810 -0.337 5.468 289 HA MET 40 HA MET 40 8.118 -0.171 4.601 290 1HB MET 40 HB2 MET 40 10.671 -0.517 3.026 291 2HB MET 40 HB1 MET 40 9.076 -0.328 2.307 292 1HG MET 40 HG2 MET 40 8.821 1.834 3.334 293 2HG MET 40 HG1 MET 40 10.397 1.669 4.104 294 1HE MET 40 HE1 MET 40 12.683 1.819 2.846 295 2HE MET 40 HE2 MET 40 12.842 1.847 1.089 296 3HE MET 40 HE3 MET 40 12.214 0.410 1.897 297 H GLY 41 HN GLY 41 9.447 -2.794 5.770 298 1HA GLY 41 HA2 GLY 41 7.793 -4.537 4.061 299 2HA GLY 41 HA1 GLY 41 9.217 -5.096 4.942 300 H VAL 42 HN VAL 42 8.593 -3.420 7.263 301 HA VAL 42 HA VAL 42 6.780 -5.272 8.599 302 HB VAL 42 HB VAL 42 8.315 -2.927 9.774 303 1HG1 VAL 42 HG11 VAL 42 6.994 -5.268 11.126 304 2HG1 VAL 42 HG12 VAL 42 6.436 -3.596 11.143 305 3HG1 VAL 42 HG13 VAL 42 7.955 -4.025 11.929 306 1HG2 VAL 42 HG21 VAL 42 9.874 -4.547 8.852 307 2HG2 VAL 42 HG22 VAL 42 9.068 -5.846 9.734 308 3HG2 VAL 42 HG23 VAL 42 9.923 -4.574 10.615 309 H GLU 43 HN GLU 43 6.978 -1.755 7.984 310 HA GLU 43 HA GLU 43 4.665 -1.164 9.453 311 1HB GLU 43 HB2 GLU 43 6.384 0.515 8.899 312 2HB GLU 43 HB1 GLU 43 5.918 0.417 7.205 313 1HG GLU 43 HG2 GLU 43 3.777 1.350 7.665 314 2HG GLU 43 HG1 GLU 43 4.050 1.256 9.404 315 H VAL 44 HN VAL 44 5.171 -2.110 6.167 316 HA VAL 44 HA VAL 44 2.650 -1.607 5.050 317 HB VAL 44 HB VAL 44 4.330 -4.082 4.574 318 1HG1 VAL 44 HG11 VAL 44 2.143 -4.226 3.612 319 2HG1 VAL 44 HG12 VAL 44 3.345 -4.033 2.325 320 3HG1 VAL 44 HG13 VAL 44 2.346 -2.659 2.827 321 1HG2 VAL 44 HG21 VAL 44 5.744 -2.116 4.338 322 2HG2 VAL 44 HG22 VAL 44 4.588 -1.389 3.221 323 3HG2 VAL 44 HG23 VAL 44 5.452 -2.860 2.778 324 H ARG 45 HN ARG 45 3.923 -4.424 6.713 325 HA ARG 45 HA ARG 45 1.584 -5.930 6.788 326 1HB ARG 45 HB2 ARG 45 4.113 -5.972 8.383 327 2HB ARG 45 HB1 ARG 45 2.840 -7.120 8.731 328 1HG ARG 45 HG2 ARG 45 2.950 -7.895 6.390 329 2HG ARG 45 HG1 ARG 45 4.265 -6.758 6.104 330 1HD ARG 45 HD2 ARG 45 4.350 -8.919 8.193 331 2HD ARG 45 HD1 ARG 45 4.946 -9.130 6.550 332 HE ARG 45 HE ARG 45 6.408 -7.152 7.100 333 1HH1 ARG 45 HH11 ARG 45 5.347 -9.446 9.642 334 2HH1 ARG 45 HH12 ARG 45 6.792 -9.322 10.524 335 1HH2 ARG 45 HH21 ARG 45 8.495 -7.159 8.288 336 2HH2 ARG 45 HH22 ARG 45 8.612 -8.049 9.726 337 H GLN 46 HN GLN 46 2.939 -3.665 9.123 338 HA GLN 46 HA GLN 46 1.135 -3.993 11.234 339 1HB GLN 46 HB2 GLN 46 2.381 -1.409 10.301 340 2HB GLN 46 HB1 GLN 46 1.628 -1.663 11.862 341 1HG GLN 46 HG2 GLN 46 3.341 -3.271 12.448 342 2HG GLN 46 HG1 GLN 46 4.067 -3.098 10.849 343 1HE2 GLN 46 HE21 GLN 46 3.513 -0.200 10.836 344 2HE2 GLN 46 HE22 GLN 46 4.700 0.522 11.837 345 H ILE 47 HN ILE 47 0.795 -2.042 8.282 346 HA ILE 47 HA ILE 47 -1.599 -0.742 9.133 347 HB ILE 47 HB ILE 47 -0.552 -1.096 6.302 348 1HG1 ILE 47 HG12 ILE 47 -0.208 1.214 8.219 349 2HG1 ILE 47 HG11 ILE 47 1.056 0.072 7.746 350 1HG2 ILE 47 HG21 ILE 47 -2.582 0.834 7.433 351 2HG2 ILE 47 HG22 ILE 47 -2.923 -0.540 6.385 352 3HG2 ILE 47 HG23 ILE 47 -1.991 0.832 5.767 353 1HD1 ILE 47 HD11 ILE 47 1.289 2.188 6.562 354 2HD1 ILE 47 HD12 ILE 47 -0.345 2.018 5.920 355 3HD1 ILE 47 HD13 ILE 47 0.911 0.878 5.440 356 H LEU 48 HN LEU 48 -0.891 -3.187 6.729 357 HA LEU 48 HA LEU 48 -3.605 -3.596 6.125 358 1HB LEU 48 HB2 LEU 48 -1.153 -5.135 5.413 359 2HB LEU 48 HB1 LEU 48 -2.727 -5.772 5.009 360 HG LEU 48 HG LEU 48 -1.935 -4.715 3.071 361 1HD1 LEU 48 HD11 LEU 48 -3.796 -2.796 4.413 362 2HD1 LEU 48 HD12 LEU 48 -4.254 -4.242 3.510 363 3HD1 LEU 48 HD13 LEU 48 -3.490 -2.880 2.680 364 1HD2 LEU 48 HD21 LEU 48 -1.293 -2.280 4.727 365 2HD2 LEU 48 HD22 LEU 48 -1.132 -2.402 2.975 366 3HD2 LEU 48 HD23 LEU 48 -0.126 -3.398 4.024 367 H GLU 49 HN GLU 49 -1.532 -5.283 8.380 368 HA GLU 49 HA GLU 49 -3.267 -7.396 9.000 369 1HB GLU 49 HB2 GLU 49 -0.966 -7.430 9.713 370 2HB GLU 49 HB1 GLU 49 -1.184 -5.963 10.648 371 1HG GLU 49 HG2 GLU 49 -2.734 -7.204 12.132 372 2HG GLU 49 HG1 GLU 49 -2.358 -8.671 11.231 373 H ARG 50 HN ARG 50 -2.867 -4.218 10.579 374 HA ARG 50 HA ARG 50 -4.940 -4.978 12.448 375 1HB ARG 50 HB2 ARG 50 -3.213 -2.521 12.422 376 2HB ARG 50 HB1 ARG 50 -4.199 -3.108 13.763 377 1HG ARG 50 HG2 ARG 50 -2.873 -5.083 13.966 378 2HG ARG 50 HG1 ARG 50 -1.970 -4.681 12.513 379 1HD ARG 50 HD2 ARG 50 -1.242 -2.590 13.736 380 2HD ARG 50 HD1 ARG 50 -1.905 -3.345 15.190 381 HE ARG 50 HE ARG 50 -0.290 -5.207 13.937 382 1HH1 ARG 50 HH11 ARG 50 0.059 -2.147 15.756 383 2HH1 ARG 50 HH12 ARG 50 1.698 -2.398 16.086 384 1HH2 ARG 50 HH21 ARG 50 1.966 -5.552 14.496 385 2HH2 ARG 50 HH22 ARG 50 2.796 -4.376 15.418 386 H GLU 51 HN GLU 51 -4.769 -3.144 9.601 387 HA GLU 51 HA GLU 51 -7.130 -1.623 10.317 388 1HB GLU 51 HB2 GLU 51 -5.464 -1.648 7.816 389 2HB GLU 51 HB1 GLU 51 -6.966 -0.749 7.954 390 1HG GLU 51 HG2 GLU 51 -4.514 -0.368 9.653 391 2HG GLU 51 HG1 GLU 51 -5.038 0.673 8.330 392 H HIS 52 HN HIS 52 -6.317 -4.249 8.031 393 HA HIS 52 HA HIS 52 -9.219 -4.692 7.810 394 1HB HIS 52 HB2 HIS 52 -7.330 -4.214 5.571 395 2HB HIS 52 HB1 HIS 52 -8.682 -5.292 5.310 396 HD1 HIS 52 HD1 HIS 52 -10.931 -4.239 4.976 397 HD2 HIS 52 HD2 HIS 52 -8.013 -1.492 6.012 398 HE1 HIS 52 HE1 HIS 52 -11.968 -1.970 4.597 399 HE2 HIS 52 HE2 HIS 52 -9.959 -0.490 4.713 400 H ASP 53 HN ASP 53 -6.469 -6.061 8.701 401 HA ASP 53 HA ASP 53 -5.594 -8.057 8.880 402 1HB ASP 53 HB2 ASP 53 -7.636 -8.680 10.047 403 2HB ASP 53 HB1 ASP 53 -8.434 -9.056 8.522 404 H LEU 54 HN LEU 54 -4.582 -7.403 6.954 405 HA LEU 54 HA LEU 54 -4.704 -9.624 5.064 406 1HB LEU 54 HB2 LEU 54 -4.346 -6.700 4.411 407 2HB LEU 54 HB1 LEU 54 -3.621 -7.912 3.385 408 HG LEU 54 HG LEU 54 -5.989 -8.758 3.000 409 1HD1 LEU 54 HD11 LEU 54 -7.802 -7.173 3.360 410 2HD1 LEU 54 HD12 LEU 54 -6.700 -6.109 4.237 411 3HD1 LEU 54 HD13 LEU 54 -7.091 -7.700 4.886 412 1HD2 LEU 54 HD21 LEU 54 -6.461 -7.024 1.339 413 2HD2 LEU 54 HD22 LEU 54 -4.764 -7.497 1.342 414 3HD2 LEU 54 HD23 LEU 54 -5.258 -5.982 2.096 415 H VAL 55 HN VAL 55 -3.135 -10.609 6.410 416 HA VAL 55 HA VAL 55 -0.652 -9.227 6.785 417 HB VAL 55 HB VAL 55 -1.226 -12.189 7.191 418 1HG1 VAL 55 HG11 VAL 55 1.157 -11.735 6.854 419 2HG1 VAL 55 HG12 VAL 55 0.839 -12.189 8.528 420 3HG1 VAL 55 HG13 VAL 55 1.109 -10.498 8.109 421 1HG2 VAL 55 HG21 VAL 55 -1.326 -11.634 9.581 422 2HG2 VAL 55 HG22 VAL 55 -2.569 -10.775 8.672 423 3HG2 VAL 55 HG23 VAL 55 -1.113 -9.926 9.193 424 H LEU 56 HN LEU 56 0.038 -8.602 4.906 425 HA LEU 56 HA LEU 56 0.586 -10.494 2.774 426 1HB LEU 56 HB2 LEU 56 1.294 -7.564 2.985 427 2HB LEU 56 HB1 LEU 56 1.343 -8.543 1.539 428 HG LEU 56 HG LEU 56 -1.164 -7.721 3.015 429 1HD1 LEU 56 HD11 LEU 56 -0.114 -5.859 1.878 430 2HD1 LEU 56 HD12 LEU 56 -1.594 -6.337 1.045 431 3HD1 LEU 56 HD13 LEU 56 -0.023 -6.797 0.387 432 1HD2 LEU 56 HD21 LEU 56 -2.371 -8.672 1.117 433 2HD2 LEU 56 HD22 LEU 56 -1.405 -9.904 1.926 434 3HD2 LEU 56 HD23 LEU 56 -0.847 -9.209 0.403 435 HA PRO 57 HA PRO 57 4.522 -10.988 4.934 436 1HB PRO 57 HB2 PRO 57 4.937 -13.166 3.023 437 2HB PRO 57 HB1 PRO 57 4.804 -13.246 4.782 438 1HG PRO 57 HG2 PRO 57 2.871 -14.217 3.191 439 2HG PRO 57 HG1 PRO 57 2.488 -13.405 4.726 440 1HD PRO 57 HD2 PRO 57 2.432 -12.292 1.945 441 2HD PRO 57 HD1 PRO 57 1.202 -12.173 3.230 442 H ILE 58 HN ILE 58 6.837 -11.266 4.137 443 HA ILE 58 HA ILE 58 7.354 -9.093 2.436 444 HB ILE 58 HB ILE 58 9.211 -11.097 3.721 445 1HG1 ILE 58 HG12 ILE 58 10.090 -8.910 4.743 446 2HG1 ILE 58 HG11 ILE 58 8.683 -8.192 3.949 447 1HG2 ILE 58 HG21 ILE 58 11.159 -9.867 2.892 448 2HG2 ILE 58 HG22 ILE 58 10.113 -8.894 1.866 449 3HG2 ILE 58 HG23 ILE 58 10.264 -10.623 1.576 450 1HD1 ILE 58 HD11 ILE 58 8.560 -10.340 6.045 451 2HD1 ILE 58 HD12 ILE 58 7.192 -9.518 5.296 452 3HD1 ILE 58 HD13 ILE 58 8.301 -8.621 6.337 453 H ARG 59 HN ARG 59 7.409 -12.486 1.773 454 HA ARG 59 HA ARG 59 8.488 -12.195 -0.829 455 1HB ARG 59 HB2 ARG 59 7.900 -14.509 -1.291 456 2HB ARG 59 HB1 ARG 59 8.614 -14.372 0.298 457 1HG ARG 59 HG2 ARG 59 5.671 -14.673 -0.273 458 2HG ARG 59 HG1 ARG 59 6.763 -15.972 0.188 459 1HD ARG 59 HD2 ARG 59 6.085 -13.545 1.839 460 2HD ARG 59 HD1 ARG 59 5.454 -15.175 2.097 461 HE ARG 59 HE ARG 59 8.328 -14.563 2.288 462 1HH1 ARG 59 HH11 ARG 59 5.377 -15.986 3.695 463 2HH1 ARG 59 HH12 ARG 59 6.133 -16.440 5.141 464 1HH2 ARG 59 HH21 ARG 59 9.352 -15.244 4.281 465 2HH2 ARG 59 HH22 ARG 59 8.433 -15.995 5.492 466 H GLU 60 HN GLU 60 5.669 -11.090 0.215 467 HA GLU 60 HA GLU 60 4.445 -11.138 -2.469 468 1HB GLU 60 HB2 GLU 60 3.301 -10.431 0.256 469 2HB GLU 60 HB1 GLU 60 2.436 -10.227 -1.257 470 1HG GLU 60 HG2 GLU 60 3.436 -12.866 -0.233 471 2HG GLU 60 HG1 GLU 60 1.813 -12.242 0.056 472 H VAL 61 HN VAL 61 5.068 -9.097 0.353 473 HA VAL 61 HA VAL 61 4.585 -6.609 -0.727 474 HB VAL 61 HB VAL 61 6.551 -7.333 1.472 475 1HG1 VAL 61 HG11 VAL 61 6.293 -5.027 2.253 476 2HG1 VAL 61 HG12 VAL 61 5.302 -4.661 0.840 477 3HG1 VAL 61 HG13 VAL 61 7.003 -5.082 0.639 478 1HG2 VAL 61 HG21 VAL 61 4.727 -6.724 2.984 479 2HG2 VAL 61 HG22 VAL 61 4.292 -8.073 1.938 480 3HG2 VAL 61 HG23 VAL 61 3.673 -6.455 1.596 481 H ARG 62 HN ARG 62 7.573 -8.480 -0.859 482 HA ARG 62 HA ARG 62 9.197 -6.435 -1.801 483 1HB ARG 62 HB2 ARG 62 9.451 -9.381 -1.792 484 2HB ARG 62 HB1 ARG 62 10.519 -8.481 -2.857 485 1HG ARG 62 HG2 ARG 62 11.241 -7.135 -0.906 486 2HG ARG 62 HG1 ARG 62 10.253 -8.174 0.124 487 1HD ARG 62 HD2 ARG 62 11.582 -10.072 -0.358 488 2HD ARG 62 HD1 ARG 62 12.393 -9.255 -1.693 489 HE ARG 62 HE ARG 62 13.199 -7.705 0.189 490 1HH1 ARG 62 HH11 ARG 62 12.756 -11.221 0.550 491 2HH1 ARG 62 HH12 ARG 62 14.069 -11.413 1.614 492 1HH2 ARG 62 HH21 ARG 62 15.022 -7.984 1.688 493 2HH2 ARG 62 HH22 ARG 62 15.364 -9.525 2.289 494 H GLN 63 HN GLN 63 6.672 -7.887 -3.507 495 HA GLN 63 HA GLN 63 7.946 -7.128 -6.035 496 1HB GLN 63 HB2 GLN 63 5.683 -9.084 -5.597 497 2HB GLN 63 HB1 GLN 63 6.176 -8.504 -7.177 498 1HG GLN 63 HG2 GLN 63 7.187 -10.616 -6.928 499 2HG GLN 63 HG1 GLN 63 8.464 -9.435 -6.662 500 1HE2 GLN 63 HE21 GLN 63 6.024 -10.203 -4.333 501 2HE2 GLN 63 HE22 GLN 63 7.050 -11.008 -3.215 502 H LEU 64 HN LEU 64 6.174 -5.743 -3.851 503 HA LEU 64 HA LEU 64 4.097 -4.695 -5.537 504 1HB LEU 64 HB2 LEU 64 5.047 -3.681 -2.851 505 2HB LEU 64 HB1 LEU 64 3.554 -3.239 -3.656 506 HG LEU 64 HG LEU 64 4.264 -5.924 -2.521 507 1HD1 LEU 64 HD11 LEU 64 3.706 -4.313 -0.823 508 2HD1 LEU 64 HD12 LEU 64 2.414 -5.506 -0.972 509 3HD1 LEU 64 HD13 LEU 64 2.215 -3.896 -1.666 510 1HD2 LEU 64 HD21 LEU 64 1.733 -5.074 -3.930 511 2HD2 LEU 64 HD22 LEU 64 1.967 -6.610 -3.095 512 3HD2 LEU 64 HD23 LEU 64 2.922 -6.228 -4.529 513 H THR 65 HN THR 65 4.436 -3.235 -7.028 514 HA THR 65 HA THR 65 6.994 -2.084 -7.446 515 HB THR 65 HB THR 65 5.826 -1.322 -9.528 516 HG1 THR 65 HG1 THR 65 3.693 -1.945 -9.773 517 1HG2 THR 65 HG21 THR 65 5.538 -3.597 -10.390 518 2HG2 THR 65 HG22 THR 65 5.443 -4.189 -8.725 519 3HG2 THR 65 HG23 THR 65 6.956 -3.511 -9.327 520 H LEU 66 HN LEU 66 6.073 -0.962 -5.145 521 HA LEU 66 HA LEU 66 5.871 0.975 -4.006 522 1HB LEU 66 HB2 LEU 66 7.687 1.608 -5.716 523 2HB LEU 66 HB1 LEU 66 6.430 2.449 -6.590 524 HG LEU 66 HG LEU 66 7.827 3.966 -5.255 525 1HD1 LEU 66 HD11 LEU 66 5.025 3.769 -4.232 526 2HD1 LEU 66 HD12 LEU 66 5.548 4.621 -5.683 527 3HD1 LEU 66 HD13 LEU 66 6.066 5.191 -4.088 528 1HD2 LEU 66 HD21 LEU 66 8.442 2.462 -3.457 529 2HD2 LEU 66 HD22 LEU 66 6.776 2.440 -2.879 530 3HD2 LEU 66 HD23 LEU 66 7.714 3.931 -2.808 531 H ARG 67 HN ARG 67 4.395 1.770 -7.154 532 HA ARG 67 HA ARG 67 2.192 2.988 -5.737 533 1HB ARG 67 HB2 ARG 67 2.713 2.652 -8.687 534 2HB ARG 67 HB1 ARG 67 1.210 3.306 -8.067 535 1HG ARG 67 HG2 ARG 67 3.954 4.489 -7.644 536 2HG ARG 67 HG1 ARG 67 2.743 5.066 -8.787 537 1HD ARG 67 HD2 ARG 67 1.222 5.341 -6.734 538 2HD ARG 67 HD1 ARG 67 2.670 5.107 -5.790 539 HE ARG 67 HE ARG 67 3.613 7.049 -7.164 540 1HH1 ARG 67 HH11 ARG 67 0.272 6.873 -6.090 541 2HH1 ARG 67 HH12 ARG 67 0.006 8.550 -6.150 542 1HH2 ARG 67 HH21 ARG 67 3.235 9.412 -7.270 543 2HH2 ARG 67 HH22 ARG 67 1.730 9.996 -6.797 544 H LYS 68 HN LYS 68 2.982 -0.086 -6.444 545 HA LYS 68 HA LYS 68 0.299 -1.034 -6.909 546 1HB LYS 68 HB2 LYS 68 2.350 -2.264 -7.668 547 2HB LYS 68 HB1 LYS 68 2.691 -2.624 -5.984 548 1HG LYS 68 HG2 LYS 68 0.638 -3.865 -5.799 549 2HG LYS 68 HG1 LYS 68 0.211 -3.445 -7.457 550 1HD LYS 68 HD2 LYS 68 2.239 -4.611 -8.232 551 2HD LYS 68 HD1 LYS 68 2.558 -5.077 -6.552 552 1HE LYS 68 HE2 LYS 68 0.500 -6.240 -6.430 553 2HE LYS 68 HE1 LYS 68 0.046 -5.713 -8.051 554 1HZ LYS 68 HZ1 LYS 68 2.170 -7.679 -7.307 555 2HZ LYS 68 HZ2 LYS 68 2.158 -6.904 -8.783 556 3HZ LYS 68 HZ3 LYS 68 0.852 -7.876 -8.365 557 H LEU 69 HN LEU 69 2.204 -0.143 -4.328 558 HA LEU 69 HA LEU 69 1.047 -1.500 -2.138 559 1HB LEU 69 HB2 LEU 69 2.293 1.227 -2.348 560 2HB LEU 69 HB1 LEU 69 1.476 0.779 -0.872 561 HG LEU 69 HG LEU 69 3.858 0.513 -0.644 562 1HD1 LEU 69 HD11 LEU 69 3.972 -1.792 0.108 563 2HD1 LEU 69 HD12 LEU 69 2.459 -2.133 -0.736 564 3HD1 LEU 69 HD13 LEU 69 2.483 -0.990 0.607 565 1HD2 LEU 69 HD21 LEU 69 5.129 -1.151 -1.915 566 2HD2 LEU 69 HD22 LEU 69 4.483 0.109 -2.967 567 3HD2 LEU 69 HD23 LEU 69 3.707 -1.473 -2.907 568 H GLN 70 HN GLN 70 0.036 1.431 -3.767 569 HA GLN 70 HA GLN 70 -2.314 1.759 -2.164 570 1HB GLN 70 HB2 GLN 70 -2.895 3.524 -3.933 571 2HB GLN 70 HB1 GLN 70 -1.480 3.798 -2.923 572 1HG GLN 70 HG2 GLN 70 -0.016 3.168 -4.648 573 2HG GLN 70 HG1 GLN 70 -1.342 2.593 -5.672 574 1HE2 GLN 70 HE21 GLN 70 -2.510 4.145 -6.822 575 2HE2 GLN 70 HE22 GLN 70 -1.918 5.760 -6.959 576 H GLU 71 HN GLU 71 -1.647 -0.436 -4.488 577 HA GLU 71 HA GLU 71 -4.358 -0.538 -5.579 578 1HB GLU 71 HB2 GLU 71 -1.942 -2.317 -6.061 579 2HB GLU 71 HB1 GLU 71 -3.491 -2.487 -6.864 580 1HG GLU 71 HG2 GLU 71 -1.631 -0.130 -7.118 581 2HG GLU 71 HG1 GLU 71 -1.806 -1.436 -8.285 582 H MET 72 HN MET 72 -2.246 -1.902 -3.224 583 HA MET 72 HA MET 72 -4.090 -4.126 -2.586 584 1HB MET 72 HB2 MET 72 -1.247 -3.660 -1.652 585 2HB MET 72 HB1 MET 72 -2.209 -5.102 -1.386 586 1HG MET 72 HG2 MET 72 -1.190 -4.092 -4.011 587 2HG MET 72 HG1 MET 72 -0.516 -5.424 -3.086 588 1HE MET 72 HE1 MET 72 -3.360 -8.117 -3.246 589 2HE MET 72 HE2 MET 72 -3.108 -6.896 -2.000 590 3HE MET 72 HE3 MET 72 -1.726 -7.750 -2.687 591 H SER 73 HN SER 73 -4.153 -1.156 -1.897 592 HA SER 73 HA SER 73 -3.264 -0.899 0.731 593 1HB SER 73 HB2 SER 73 -4.386 1.340 0.538 594 2HB SER 73 HB1 SER 73 -3.167 0.959 -0.668 595 HG SER 73 HG SER 73 -5.093 1.848 -1.578 596 H SER 74 HN SER 74 -6.365 -1.822 -0.691 597 HA SER 74 HA SER 74 -8.396 -2.368 0.204 598 1HB SER 74 HB2 SER 74 -6.890 -3.929 1.524 599 2HB SER 74 HB1 SER 74 -6.760 -2.695 2.769 600 HG SER 74 HG SER 74 -9.138 -4.026 1.943 601 H LYS 75 HN LYS 75 -7.836 0.258 -0.095 602 HA LYS 75 HA LYS 75 -8.493 1.647 2.391 603 1HB LYS 75 HB2 LYS 75 -6.406 2.291 1.381 604 2HB LYS 75 HB1 LYS 75 -7.200 2.594 -0.153 605 1HG LYS 75 HG2 LYS 75 -8.364 4.489 0.759 606 2HG LYS 75 HG1 LYS 75 -7.751 4.130 2.376 607 1HD LYS 75 HD2 LYS 75 -6.009 4.777 0.000 608 2HD LYS 75 HD1 LYS 75 -6.523 5.958 1.208 609 1HE LYS 75 HE2 LYS 75 -4.900 3.461 1.773 610 2HE LYS 75 HE1 LYS 75 -4.255 5.095 1.673 611 1HZ LYS 75 HZ1 LYS 75 -4.586 4.521 3.936 612 2HZ LYS 75 HZ2 LYS 75 -6.183 4.059 3.662 613 3HZ LYS 75 HZ3 LYS 75 -5.733 5.704 3.508 614 H ALA 76 HN ALA 76 -9.255 1.722 -1.082 615 HA ALA 76 HA ALA 76 -11.863 2.817 -0.406 616 1HB ALA 76 HB1 ALA 76 -11.596 4.645 -2.011 617 2HB ALA 76 HB2 ALA 76 -9.931 4.148 -2.304 618 3HB ALA 76 HB3 ALA 76 -10.400 4.756 -0.717 619 H GLY 77 HN GLY 77 -12.661 3.396 -2.996 620 1HA GLY 77 HA2 GLY 77 -11.960 1.398 -4.848 621 2HA GLY 77 HA1 GLY 77 -13.445 0.970 -3.999 622 H SER 78 HN SER 78 -13.695 1.356 -6.620 623 HA SER 78 HA SER 78 -14.270 4.045 -7.277 624 1HB SER 78 HB2 SER 78 -15.448 2.908 -9.246 625 2HB SER 78 HB1 SER 78 -13.715 2.632 -9.071 626 HG SER 78 HG SER 78 -14.163 0.648 -9.048 627 H ASP 79 HN ASP 79 -16.146 1.340 -6.068 628 HA ASP 79 HA ASP 79 -18.426 3.158 -5.818 629 1HB ASP 79 HB2 ASP 79 -18.955 1.069 -7.013 630 2HB ASP 79 HB1 ASP 79 -18.386 0.133 -5.633 631 H THR 80 HN THR 80 -18.451 4.131 -3.967 632 HA THR 80 HA THR 80 -18.066 2.563 -1.551 633 HB THR 80 HB THR 80 -16.708 5.236 -2.024 634 HG1 THR 80 HG1 THR 80 -16.004 2.762 -2.680 635 1HG2 THR 80 HG21 THR 80 -15.616 4.775 0.132 636 2HG2 THR 80 HG22 THR 80 -16.549 3.284 0.288 637 3HG2 THR 80 HG23 THR 80 -17.369 4.841 0.314 638 H GLU 81 HN GLU 81 -20.061 2.718 -0.833 639 HA GLU 81 HA GLU 81 -21.178 5.405 -0.523 640 1HB GLU 81 HB2 GLU 81 -22.748 2.838 -0.839 641 2HB GLU 81 HB1 GLU 81 -23.399 4.466 -0.739 642 1HG GLU 81 HG2 GLU 81 -22.369 5.028 -2.863 643 2HG GLU 81 HG1 GLU 81 -21.666 3.414 -2.960 644 H LEU 82 HN LEU 82 -22.155 2.254 0.747 645 HA LEU 82 HA LEU 82 -21.477 3.198 3.451 646 1HB LEU 82 HB2 LEU 82 -23.992 1.768 2.592 647 2HB LEU 82 HB1 LEU 82 -23.554 2.123 4.247 648 HG LEU 82 HG LEU 82 -24.126 4.207 2.136 649 1HD1 LEU 82 HD11 LEU 82 -25.826 3.216 4.419 650 2HD1 LEU 82 HD12 LEU 82 -26.121 2.932 2.702 651 3HD1 LEU 82 HD13 LEU 82 -26.209 4.569 3.355 652 1HD2 LEU 82 HD21 LEU 82 -24.166 5.757 4.039 653 2HD2 LEU 82 HD22 LEU 82 -22.589 4.986 3.869 654 3HD2 LEU 82 HD23 LEU 82 -23.710 4.438 5.117 655 H ALA 83 HN ALA 83 -21.996 0.508 1.250 656 HA ALA 83 HA ALA 83 -21.212 -1.474 3.183 657 1HB ALA 83 HB1 ALA 83 -21.768 -1.748 0.239 658 2HB ALA 83 HB2 ALA 83 -22.948 -1.945 1.536 659 3HB ALA 83 HB3 ALA 83 -21.593 -3.067 1.400 660 H ALA 84 HN ALA 84 -19.147 -1.574 3.695 661 HA ALA 84 HA ALA 84 -17.135 -1.348 1.601 662 1HB ALA 84 HB1 ALA 84 -16.863 -1.569 4.610 663 2HB ALA 84 HB2 ALA 84 -16.722 -0.084 3.667 664 3HB ALA 84 HB3 ALA 84 -15.528 -1.368 3.477 665 HA PRO 85 HA PRO 85 -17.289 -5.804 1.697 666 1HB PRO 85 HB2 PRO 85 -15.374 -5.835 -0.460 667 2HB PRO 85 HB1 PRO 85 -17.106 -6.169 -0.539 668 1HG PRO 85 HG2 PRO 85 -15.910 -3.972 -1.686 669 2HG PRO 85 HG1 PRO 85 -17.610 -4.041 -1.197 670 1HD PRO 85 HD2 PRO 85 -15.274 -2.829 0.225 671 2HD PRO 85 HD1 PRO 85 -16.935 -2.218 0.061 672 H LYS 86 HN LYS 86 -16.181 -6.282 3.562 673 HA LYS 86 HA LYS 86 -13.262 -6.001 3.483 674 1HB LYS 86 HB2 LYS 86 -14.939 -6.721 5.890 675 2HB LYS 86 HB1 LYS 86 -13.267 -6.187 5.871 676 1HG LYS 86 HG2 LYS 86 -14.102 -3.981 4.991 677 2HG LYS 86 HG1 LYS 86 -15.735 -4.553 5.342 678 1HD LYS 86 HD2 LYS 86 -14.893 -5.010 7.702 679 2HD LYS 86 HD1 LYS 86 -13.477 -4.054 7.262 680 1HE LYS 86 HE2 LYS 86 -14.955 -2.560 8.328 681 2HE LYS 86 HE1 LYS 86 -15.101 -2.222 6.600 682 1HZ LYS 86 HZ1 LYS 86 -17.122 -3.704 6.622 683 2HZ LYS 86 HZ2 LYS 86 -17.285 -2.305 7.523 684 3HZ LYS 86 HZ3 LYS 86 -16.958 -3.785 8.291 685 H SER 87 HN SER 87 -15.674 -8.231 4.741 686 HA SER 87 HA SER 87 -13.852 -10.467 4.429 687 1HB SER 87 HB2 SER 87 -16.708 -10.440 5.425 688 2HB SER 87 HB1 SER 87 -15.499 -11.696 5.676 689 HG SER 87 HG SER 87 -15.658 -10.500 7.488 690 H LYS 88 HN LYS 88 -17.067 -9.375 3.391 691 HA LYS 88 HA LYS 88 -18.490 -9.887 1.725 692 1HB LYS 88 HB2 LYS 88 -16.158 -11.305 0.389 693 2HB LYS 88 HB1 LYS 88 -17.672 -10.860 -0.383 694 1HG LYS 88 HG2 LYS 88 -17.143 -8.506 -0.116 695 2HG LYS 88 HG1 LYS 88 -15.657 -8.922 0.739 696 1HD LYS 88 HD2 LYS 88 -16.325 -9.549 -2.138 697 2HD LYS 88 HD1 LYS 88 -15.158 -8.360 -1.564 698 1HE LYS 88 HE2 LYS 88 -15.001 -11.359 -1.238 699 2HE LYS 88 HE1 LYS 88 -13.999 -10.359 -2.288 700 1HZ LYS 88 HZ1 LYS 88 -12.790 -10.911 -0.317 701 2HZ LYS 88 HZ2 LYS 88 -14.025 -10.399 0.675 702 3HZ LYS 88 HZ3 LYS 88 -13.156 -9.251 -0.240 703 H ASN 89 HN ASN 89 -18.120 -11.475 4.003 704 HA ASN 89 HA ASN 89 -18.554 -14.216 3.177 705 1HB ASN 89 HB2 ASN 89 -17.172 -13.974 5.134 706 2HB ASN 89 HB1 ASN 89 -18.362 -12.939 5.914 707 1HD2 ASN 89 HD21 ASN 89 -17.677 -16.228 4.891 708 2HD2 ASN 89 HD22 ASN 89 -18.813 -16.992 5.927 Start of MODEL 24 1 1H GLY 1 HT1 GLY 1 -12.544 -3.405 15.010 2 2H GLY 1 HT2 GLY 1 -11.254 -4.259 14.255 3 3H GLY 1 HT3 GLY 1 -12.845 -4.515 13.768 4 1HA GLY 1 HA1 GLY 1 -11.381 -1.988 13.454 5 2HA GLY 1 HA2 GLY 1 -11.670 -3.184 12.191 6 H ASP 2 HN ASP 2 -13.065 -0.794 14.259 7 HA ASP 2 HA ASP 2 -15.625 -1.020 12.840 8 1HB ASP 2 HB2 ASP 2 -16.654 0.157 14.746 9 2HB ASP 2 HB1 ASP 2 -15.940 -1.376 15.209 10 H GLY 3 HN GLY 3 -13.006 1.126 13.687 11 1HA GLY 3 HA2 GLY 3 -13.699 2.913 11.620 12 2HA GLY 3 HA1 GLY 3 -14.251 3.547 13.164 13 H GLU 4 HN GLU 4 -11.388 1.686 12.339 14 HA GLU 4 HA GLU 4 -9.749 3.716 13.654 15 1HB GLU 4 HB2 GLU 4 -9.504 1.261 14.158 16 2HB GLU 4 HB1 GLU 4 -8.969 1.023 12.504 17 1HG GLU 4 HG2 GLU 4 -7.085 1.075 14.003 18 2HG GLU 4 HG1 GLU 4 -7.046 2.481 12.939 19 H ALA 5 HN ALA 5 -10.859 2.714 10.635 20 HA ALA 5 HA ALA 5 -10.452 3.159 8.497 21 1HB ALA 5 HB1 ALA 5 -9.461 5.325 7.913 22 2HB ALA 5 HB2 ALA 5 -8.865 5.506 9.563 23 3HB ALA 5 HB3 ALA 5 -10.601 5.502 9.248 24 H GLN 6 HN GLN 6 -8.189 4.123 7.140 25 HA GLN 6 HA GLN 6 -6.020 2.405 8.011 26 1HB GLN 6 HB2 GLN 6 -7.514 1.058 6.534 27 2HB GLN 6 HB1 GLN 6 -7.290 2.250 5.269 28 1HG GLN 6 HG2 GLN 6 -4.935 1.701 5.129 29 2HG GLN 6 HG1 GLN 6 -5.102 0.579 6.475 30 1HE2 GLN 6 HE21 GLN 6 -4.260 0.094 3.775 31 2HE2 GLN 6 HE22 GLN 6 -5.325 -1.078 3.077 32 H ARG 7 HN ARG 7 -4.161 3.428 7.715 33 HA ARG 7 HA ARG 7 -4.044 6.075 6.641 34 1HB ARG 7 HB2 ARG 7 -1.674 5.997 7.129 35 2HB ARG 7 HB1 ARG 7 -2.542 5.234 8.455 36 1HG ARG 7 HG2 ARG 7 -2.019 3.026 7.434 37 2HG ARG 7 HG1 ARG 7 -1.055 3.881 6.234 38 1HD ARG 7 HD2 ARG 7 -0.575 3.949 9.218 39 2HD ARG 7 HD1 ARG 7 0.330 2.969 8.073 40 HE ARG 7 HE ARG 7 0.366 5.746 7.405 41 1HH1 ARG 7 HH11 ARG 7 1.940 3.253 9.365 42 2HH1 ARG 7 HH12 ARG 7 3.405 4.093 9.558 43 1HH2 ARG 7 HH21 ARG 7 2.368 6.980 7.742 44 2HH2 ARG 7 HH22 ARG 7 3.612 6.313 8.687 45 H ASP 8 HN ASP 8 -2.744 6.797 4.765 46 HA ASP 8 HA ASP 8 -3.253 5.079 2.551 47 1HB ASP 8 HB2 ASP 8 -3.473 7.500 2.229 48 2HB ASP 8 HB1 ASP 8 -1.758 7.711 2.563 49 H LEU 9 HN LEU 9 -2.081 3.834 1.539 50 HA LEU 9 HA LEU 9 0.120 2.553 2.574 51 1HB LEU 9 HB2 LEU 9 -1.204 2.645 -0.081 52 2HB LEU 9 HB1 LEU 9 0.291 1.767 0.072 53 HG LEU 9 HG LEU 9 -1.711 0.369 0.188 54 1HD1 LEU 9 HD11 LEU 9 -1.031 -0.919 2.157 55 2HD1 LEU 9 HD12 LEU 9 -0.081 0.460 2.715 56 3HD1 LEU 9 HD13 LEU 9 0.354 -0.364 1.219 57 1HD2 LEU 9 HD21 LEU 9 -2.237 1.743 2.810 58 2HD2 LEU 9 HD22 LEU 9 -3.098 0.339 2.146 59 3HD2 LEU 9 HD23 LEU 9 -3.206 1.902 1.341 60 H VAL 10 HN VAL 10 0.016 4.893 -0.088 61 HA VAL 10 HA VAL 10 2.820 4.576 -0.489 62 HB VAL 10 HB VAL 10 0.816 6.388 -1.868 63 1HG1 VAL 10 HG11 VAL 10 3.063 7.383 -1.998 64 2HG1 VAL 10 HG12 VAL 10 2.543 6.773 -3.568 65 3HG1 VAL 10 HG13 VAL 10 3.705 5.856 -2.604 66 1HG2 VAL 10 HG21 VAL 10 2.172 3.835 -2.715 67 2HG2 VAL 10 HG22 VAL 10 1.089 4.803 -3.712 68 3HG2 VAL 10 HG23 VAL 10 0.479 4.016 -2.260 69 H LYS 11 HN LYS 11 0.732 6.929 1.052 70 HA LYS 11 HA LYS 11 2.810 8.864 1.378 71 1HB LYS 11 HB2 LYS 11 0.423 8.592 3.219 72 2HB LYS 11 HB1 LYS 11 1.402 10.020 2.915 73 1HG LYS 11 HG2 LYS 11 -0.521 8.698 1.028 74 2HG LYS 11 HG1 LYS 11 -0.712 10.253 1.826 75 1HD LYS 11 HD2 LYS 11 1.074 11.197 0.521 76 2HD LYS 11 HD1 LYS 11 1.472 9.613 -0.155 77 1HE LYS 11 HE2 LYS 11 -1.146 11.073 -0.541 78 2HE LYS 11 HE1 LYS 11 0.162 10.984 -1.719 79 1HZ LYS 11 HZ1 LYS 11 -1.766 9.364 -1.959 80 2HZ LYS 11 HZ2 LYS 11 -1.049 8.452 -0.699 81 3HZ LYS 11 HZ3 LYS 11 -0.219 8.778 -2.125 82 H ALA 12 HN ALA 12 2.242 5.887 2.806 83 HA ALA 12 HA ALA 12 3.845 6.490 5.160 84 1HB ALA 12 HB1 ALA 12 3.255 4.230 5.878 85 2HB ALA 12 HB2 ALA 12 2.421 3.960 4.346 86 3HB ALA 12 HB3 ALA 12 1.817 5.165 5.476 87 H VAL 13 HN VAL 13 3.746 3.982 2.616 88 HA VAL 13 HA VAL 13 6.314 2.963 3.220 89 HB VAL 13 HB VAL 13 4.600 2.515 0.765 90 1HG1 VAL 13 HG11 VAL 13 7.008 0.955 1.733 91 2HG1 VAL 13 HG12 VAL 13 6.939 1.969 0.294 92 3HG1 VAL 13 HG13 VAL 13 5.961 0.502 0.383 93 1HG2 VAL 13 HG21 VAL 13 4.005 0.411 1.879 94 2HG2 VAL 13 HG22 VAL 13 3.534 1.824 2.830 95 3HG2 VAL 13 HG23 VAL 13 4.971 0.898 3.274 96 H ALA 14 HN ALA 14 5.207 5.008 0.509 97 HA ALA 14 HA ALA 14 7.764 5.021 -0.715 98 1HB ALA 14 HB1 ALA 14 5.712 5.479 -1.991 99 2HB ALA 14 HB2 ALA 14 6.872 6.798 -2.164 100 3HB ALA 14 HB3 ALA 14 5.484 6.972 -1.088 101 H HIS 15 HN HIS 15 6.210 6.911 1.675 102 HA HIS 15 HA HIS 15 7.965 9.116 1.758 103 1HB HIS 15 HB2 HIS 15 5.801 9.192 2.862 104 2HB HIS 15 HB1 HIS 15 6.274 7.899 3.949 105 HD1 HIS 15 HD1 HIS 15 7.000 8.657 6.172 106 HD2 HIS 15 HD2 HIS 15 7.537 11.611 3.302 107 HE1 HIS 15 HE1 HIS 15 7.833 10.676 7.419 108 HE2 HIS 15 HE2 HIS 15 7.920 12.498 5.696 109 H ILE 16 HN ILE 16 8.255 5.869 3.025 110 HA ILE 16 HA ILE 16 10.344 6.358 4.871 111 HB ILE 16 HB ILE 16 9.791 3.803 3.305 112 1HG1 ILE 16 HG12 ILE 16 7.817 4.491 4.588 113 2HG1 ILE 16 HG11 ILE 16 8.533 3.038 5.268 114 1HG2 ILE 16 HG21 ILE 16 11.323 4.224 5.867 115 2HG2 ILE 16 HG22 ILE 16 12.007 3.803 4.298 116 3HG2 ILE 16 HG23 ILE 16 10.957 2.658 5.138 117 1HD1 ILE 16 HD11 ILE 16 7.815 4.558 7.011 118 2HD1 ILE 16 HD12 ILE 16 8.829 5.836 6.340 119 3HD1 ILE 16 HD13 ILE 16 9.570 4.391 7.029 120 H LEU 17 HN LEU 17 10.236 5.657 1.446 121 HA LEU 17 HA LEU 17 13.115 5.693 1.169 122 1HB LEU 17 HB2 LEU 17 10.917 5.684 -0.903 123 2HB LEU 17 HB1 LEU 17 12.623 5.653 -1.286 124 HG LEU 17 HG LEU 17 11.141 3.507 0.237 125 1HD1 LEU 17 HD11 LEU 17 12.227 3.550 -2.575 126 2HD1 LEU 17 HD12 LEU 17 10.524 3.606 -2.126 127 3HD1 LEU 17 HD13 LEU 17 11.480 2.169 -1.771 128 1HD2 LEU 17 HD21 LEU 17 13.483 3.715 0.924 129 2HD2 LEU 17 HD22 LEU 17 13.987 3.633 -0.764 130 3HD2 LEU 17 HD23 LEU 17 13.220 2.238 -0.005 131 H GLY 18 HN GLY 18 10.466 7.900 0.776 132 1HA GLY 18 HA2 GLY 18 10.929 10.272 1.125 133 2HA GLY 18 HA1 GLY 18 12.419 10.046 0.217 134 H ILE 19 HN ILE 19 9.814 8.322 -1.036 135 HA ILE 19 HA ILE 19 9.547 10.288 -3.170 136 HB ILE 19 HB ILE 19 8.357 8.217 -4.275 137 1HG1 ILE 19 HG12 ILE 19 10.361 6.884 -2.444 138 2HG1 ILE 19 HG11 ILE 19 8.615 6.688 -2.415 139 1HG2 ILE 19 HG21 ILE 19 10.156 9.403 -5.306 140 2HG2 ILE 19 HG22 ILE 19 10.445 7.684 -5.461 141 3HG2 ILE 19 HG23 ILE 19 11.345 8.624 -4.259 142 1HD1 ILE 19 HD11 ILE 19 10.446 5.840 -4.649 143 2HD1 ILE 19 HD12 ILE 19 8.696 5.619 -4.607 144 3HD1 ILE 19 HD13 ILE 19 9.719 4.780 -3.441 145 H ARG 20 HN ARG 20 7.508 10.487 -4.168 146 HA ARG 20 HA ARG 20 5.132 9.588 -2.842 147 1HB ARG 20 HB2 ARG 20 5.843 11.532 -1.438 148 2HB ARG 20 HB1 ARG 20 5.745 12.544 -2.873 149 1HG ARG 20 HG2 ARG 20 3.374 12.080 -3.057 150 2HG ARG 20 HG1 ARG 20 3.450 11.038 -1.636 151 1HD ARG 20 HD2 ARG 20 3.956 14.009 -1.787 152 2HD ARG 20 HD1 ARG 20 2.640 13.190 -0.950 153 HE ARG 20 HE ARG 20 5.431 12.774 -0.156 154 1HH1 ARG 20 HH11 ARG 20 2.114 13.704 0.720 155 2HH1 ARG 20 HH12 ARG 20 2.474 13.926 2.367 156 1HH2 ARG 20 HH21 ARG 20 5.927 13.078 1.996 157 2HH2 ARG 20 HH22 ARG 20 4.757 13.547 3.158 158 H ASP 21 HN ASP 21 6.623 11.924 -4.985 159 HA ASP 21 HA ASP 21 4.421 12.189 -6.826 160 1HB ASP 21 HB2 ASP 21 7.368 12.666 -7.335 161 2HB ASP 21 HB1 ASP 21 6.039 13.221 -8.336 162 H LEU 22 HN LEU 22 7.393 10.378 -6.987 163 HA LEU 22 HA LEU 22 7.923 8.496 -8.044 164 1HB LEU 22 HB2 LEU 22 4.959 8.211 -8.062 165 2HB LEU 22 HB1 LEU 22 5.909 7.131 -9.056 166 HG LEU 22 HG LEU 22 5.285 6.150 -6.970 167 1HD1 LEU 22 HD11 LEU 22 7.355 5.417 -7.993 168 2HD1 LEU 22 HD12 LEU 22 7.578 5.425 -6.240 169 3HD1 LEU 22 HD13 LEU 22 8.238 6.733 -7.231 170 1HD2 LEU 22 HD21 LEU 22 6.923 8.301 -5.641 171 2HD2 LEU 22 HD22 LEU 22 6.262 6.881 -4.830 172 3HD2 LEU 22 HD23 LEU 22 5.178 8.088 -5.522 173 H ALA 23 HN ALA 23 7.004 11.120 -9.409 174 HA ALA 23 HA ALA 23 6.790 10.206 -12.084 175 1HB ALA 23 HB1 ALA 23 5.583 12.230 -11.478 176 2HB ALA 23 HB2 ALA 23 6.807 12.626 -12.687 177 3HB ALA 23 HB3 ALA 23 7.086 13.012 -10.988 178 H GLY 24 HN GLY 24 8.746 9.046 -12.167 179 1HA GLY 24 HA2 GLY 24 10.940 9.776 -13.355 180 2HA GLY 24 HA1 GLY 24 11.197 10.562 -11.793 181 H ILE 25 HN ILE 25 9.508 8.097 -10.835 182 HA ILE 25 HA ILE 25 11.832 6.353 -10.591 183 HB ILE 25 HB ILE 25 9.659 6.874 -8.501 184 1HG1 ILE 25 HG12 ILE 25 11.664 7.518 -7.035 185 2HG1 ILE 25 HG11 ILE 25 12.610 7.557 -8.511 186 1HG2 ILE 25 HG21 ILE 25 10.254 4.536 -8.461 187 2HG2 ILE 25 HG22 ILE 25 10.876 5.347 -7.023 188 3HG2 ILE 25 HG23 ILE 25 11.967 4.942 -8.346 189 1HD1 ILE 25 HD11 ILE 25 11.179 9.351 -9.367 190 2HD1 ILE 25 HD12 ILE 25 11.916 9.787 -7.822 191 3HD1 ILE 25 HD13 ILE 25 10.226 9.292 -7.884 192 H ASN 26 HN ASN 26 11.484 4.252 -10.923 193 HA ASN 26 HA ASN 26 9.480 3.411 -12.660 194 1HB ASN 26 HB2 ASN 26 11.363 1.853 -10.926 195 2HB ASN 26 HB1 ASN 26 10.185 1.064 -11.966 196 1HD2 ASN 26 HD21 ASN 26 10.483 1.070 -14.126 197 2HD2 ASN 26 HD22 ASN 26 11.944 1.579 -14.887 198 H LEU 27 HN LEU 27 7.549 2.606 -12.491 199 HA LEU 27 HA LEU 27 6.375 2.160 -9.826 200 1HB LEU 27 HB2 LEU 27 5.032 2.451 -12.524 201 2HB LEU 27 HB1 LEU 27 4.261 2.478 -10.953 202 HG LEU 27 HG LEU 27 6.142 4.613 -11.979 203 1HD1 LEU 27 HD11 LEU 27 4.066 4.573 -13.245 204 2HD1 LEU 27 HD12 LEU 27 4.143 5.990 -12.197 205 3HD1 LEU 27 HD13 LEU 27 3.143 4.610 -11.744 206 1HD2 LEU 27 HD21 LEU 27 5.367 5.906 -10.092 207 2HD2 LEU 27 HD22 LEU 27 6.077 4.394 -9.516 208 3HD2 LEU 27 HD23 LEU 27 4.323 4.592 -9.588 209 H ASP 28 HN ASP 28 7.921 0.547 -12.165 210 HA ASP 28 HA ASP 28 6.151 -1.809 -12.194 211 1HB ASP 28 HB2 ASP 28 7.312 -2.467 -14.250 212 2HB ASP 28 HB1 ASP 28 6.615 -0.859 -14.403 213 H SER 29 HN SER 29 8.823 -0.689 -10.656 214 HA SER 29 HA SER 29 10.347 -3.140 -10.793 215 1HB SER 29 HB2 SER 29 10.826 -0.569 -9.301 216 2HB SER 29 HB1 SER 29 11.956 -1.914 -9.368 217 HG SER 29 HG SER 29 12.448 -0.338 -10.868 218 H SER 30 HN SER 30 10.188 -4.698 -9.399 219 HA SER 30 HA SER 30 8.425 -4.928 -7.271 220 1HB SER 30 HB2 SER 30 11.084 -6.263 -7.775 221 2HB SER 30 HB1 SER 30 9.941 -6.831 -6.575 222 HG SER 30 HG SER 30 9.537 -6.637 -9.399 223 H LEU 31 HN LEU 31 8.656 -4.613 -5.010 224 HA LEU 31 HA LEU 31 10.112 -2.472 -4.026 225 1HB LEU 31 HB2 LEU 31 8.118 -3.739 -2.961 226 2HB LEU 31 HB1 LEU 31 9.325 -4.834 -2.323 227 HG LEU 31 HG LEU 31 10.314 -2.959 -1.069 228 1HD1 LEU 31 HD11 LEU 31 7.981 -1.424 -2.206 229 2HD1 LEU 31 HD12 LEU 31 9.680 -1.163 -2.615 230 3HD1 LEU 31 HD13 LEU 31 9.104 -0.832 -0.981 231 1HD2 LEU 31 HD21 LEU 31 8.490 -2.690 0.518 232 2HD2 LEU 31 HD22 LEU 31 8.567 -4.356 -0.059 233 3HD2 LEU 31 HD23 LEU 31 7.338 -3.259 -0.689 234 H ALA 32 HN ALA 32 11.022 -5.778 -4.369 235 HA ALA 32 HA ALA 32 13.222 -5.858 -2.743 236 1HB ALA 32 HB1 ALA 32 12.200 -7.829 -3.690 237 2HB ALA 32 HB2 ALA 32 13.929 -7.801 -4.041 238 3HB ALA 32 HB3 ALA 32 12.766 -7.374 -5.297 239 H ASP 33 HN ASP 33 12.827 -4.730 -6.061 240 HA ASP 33 HA ASP 33 15.596 -4.702 -6.732 241 1HB ASP 33 HB2 ASP 33 13.962 -4.851 -8.529 242 2HB ASP 33 HB1 ASP 33 13.243 -3.318 -8.045 243 H LEU 34 HN LEU 34 13.314 -2.560 -5.424 244 HA LEU 34 HA LEU 34 14.857 -0.158 -5.321 245 1HB LEU 34 HB2 LEU 34 12.531 -1.219 -3.718 246 2HB LEU 34 HB1 LEU 34 13.245 0.337 -3.406 247 HG LEU 34 HG LEU 34 12.282 1.283 -5.378 248 1HD1 LEU 34 HD11 LEU 34 11.552 -1.507 -6.278 249 2HD1 LEU 34 HD12 LEU 34 12.847 -0.532 -6.970 250 3HD1 LEU 34 HD13 LEU 34 11.171 0.000 -7.113 251 1HD2 LEU 34 HD21 LEU 34 10.728 0.902 -3.606 252 2HD2 LEU 34 HD22 LEU 34 10.495 -0.746 -4.168 253 3HD2 LEU 34 HD23 LEU 34 9.912 0.606 -5.161 254 H GLY 35 HN GLY 35 14.018 -2.722 -3.069 255 1HA GLY 35 HA2 GLY 35 15.517 -3.791 -1.628 256 2HA GLY 35 HA1 GLY 35 16.541 -2.353 -1.669 257 H LEU 36 HN LEU 36 13.685 -3.799 -0.330 258 HA LEU 36 HA LEU 36 13.094 -1.460 1.203 259 1HB LEU 36 HB2 LEU 36 11.247 -2.725 2.147 260 2HB LEU 36 HB1 LEU 36 11.348 -3.164 0.500 261 HG LEU 36 HG LEU 36 12.778 -5.195 1.492 262 1HD1 LEU 36 HD11 LEU 36 10.877 -4.457 3.696 263 2HD1 LEU 36 HD12 LEU 36 12.640 -4.432 3.793 264 3HD1 LEU 36 HD13 LEU 36 11.784 -5.968 3.589 265 1HD2 LEU 36 HD21 LEU 36 9.766 -5.046 1.487 266 2HD2 LEU 36 HD22 LEU 36 10.731 -6.523 1.410 267 3HD2 LEU 36 HD23 LEU 36 10.785 -5.354 0.086 268 H ASP 37 HN ASP 37 13.880 -0.946 3.153 269 HA ASP 37 HA ASP 37 16.375 -2.069 3.803 270 1HB ASP 37 HB2 ASP 37 16.550 -0.426 5.563 271 2HB ASP 37 HB1 ASP 37 15.765 0.340 4.195 272 H SER 38 HN SER 38 13.477 -1.987 5.728 273 HA SER 38 HA SER 38 13.236 -4.601 6.519 274 1HB SER 38 HB2 SER 38 15.490 -4.252 7.641 275 2HB SER 38 HB1 SER 38 14.763 -2.970 8.601 276 HG SER 38 HG SER 38 13.330 -5.319 8.760 277 H LEU 39 HN LEU 39 13.277 -1.218 7.597 278 HA LEU 39 HA LEU 39 10.987 -1.386 9.242 279 1HB LEU 39 HB2 LEU 39 12.791 0.379 9.353 280 2HB LEU 39 HB1 LEU 39 12.171 1.037 7.861 281 HG LEU 39 HG LEU 39 11.573 2.291 9.965 282 1HD1 LEU 39 HD11 LEU 39 10.311 2.670 7.937 283 2HD1 LEU 39 HD12 LEU 39 9.265 2.750 9.356 284 3HD1 LEU 39 HD13 LEU 39 9.249 1.318 8.327 285 1HD2 LEU 39 HD21 LEU 39 11.172 0.400 11.424 286 2HD2 LEU 39 HD22 LEU 39 9.795 -0.094 10.441 287 3HD2 LEU 39 HD23 LEU 39 9.738 1.423 11.334 288 H MET 40 HN MET 40 11.604 -0.586 5.896 289 HA MET 40 HA MET 40 9.021 0.113 5.022 290 1HB MET 40 HB2 MET 40 11.081 -1.550 3.579 291 2HB MET 40 HB1 MET 40 9.671 -0.811 2.834 292 1HG MET 40 HG2 MET 40 10.508 1.395 3.384 293 2HG MET 40 HG1 MET 40 11.899 0.675 4.191 294 1HE MET 40 HE1 MET 40 10.068 1.283 0.786 295 2HE MET 40 HE2 MET 40 10.162 -0.475 0.851 296 3HE MET 40 HE3 MET 40 11.110 0.415 -0.341 297 H GLY 41 HN GLY 41 10.370 -3.139 5.390 298 1HA GLY 41 HA2 GLY 41 8.030 -4.452 4.472 299 2HA GLY 41 HA1 GLY 41 9.314 -5.179 5.433 300 H VAL 42 HN VAL 42 9.101 -3.392 7.624 301 HA VAL 42 HA VAL 42 7.026 -4.615 9.119 302 HB VAL 42 HB VAL 42 8.645 -2.141 9.815 303 1HG1 VAL 42 HG11 VAL 42 6.661 -2.265 11.163 304 2HG1 VAL 42 HG12 VAL 42 8.079 -2.622 12.149 305 3HG1 VAL 42 HG13 VAL 42 7.019 -3.932 11.616 306 1HG2 VAL 42 HG21 VAL 42 9.133 -5.020 10.559 307 2HG2 VAL 42 HG22 VAL 42 10.050 -3.637 11.156 308 3HG2 VAL 42 HG23 VAL 42 10.093 -4.050 9.442 309 H GLU 43 HN GLU 43 7.455 -1.359 7.849 310 HA GLU 43 HA GLU 43 5.053 -0.343 8.868 311 1HB GLU 43 HB2 GLU 43 7.043 0.948 7.979 312 2HB GLU 43 HB1 GLU 43 6.426 0.599 6.368 313 1HG GLU 43 HG2 GLU 43 5.755 2.765 7.073 314 2HG GLU 43 HG1 GLU 43 4.324 1.731 6.940 315 H VAL 44 HN VAL 44 5.866 -1.956 5.863 316 HA VAL 44 HA VAL 44 3.369 -1.623 4.567 317 HB VAL 44 HB VAL 44 5.380 -3.897 4.265 318 1HG1 VAL 44 HG11 VAL 44 3.191 -4.578 3.542 319 2HG1 VAL 44 HG12 VAL 44 4.282 -4.365 2.162 320 3HG1 VAL 44 HG13 VAL 44 3.055 -3.135 2.524 321 1HG2 VAL 44 HG21 VAL 44 6.280 -1.723 3.617 322 2HG2 VAL 44 HG22 VAL 44 4.915 -1.468 2.522 323 3HG2 VAL 44 HG23 VAL 44 6.069 -2.776 2.226 324 H ARG 45 HN ARG 45 4.632 -4.209 6.627 325 HA ARG 45 HA ARG 45 2.279 -5.740 6.610 326 1HB ARG 45 HB2 ARG 45 4.639 -5.667 8.447 327 2HB ARG 45 HB1 ARG 45 3.266 -6.706 8.798 328 1HG ARG 45 HG2 ARG 45 3.564 -7.832 6.653 329 2HG ARG 45 HG1 ARG 45 4.925 -6.768 6.286 330 1HD ARG 45 HD2 ARG 45 4.818 -8.543 8.710 331 2HD ARG 45 HD1 ARG 45 5.507 -9.054 7.170 332 HE ARG 45 HE ARG 45 7.047 -7.136 7.423 333 1HH1 ARG 45 HH11 ARG 45 5.557 -8.459 10.363 334 2HH1 ARG 45 HH12 ARG 45 6.874 -8.089 11.363 335 1HH2 ARG 45 HH21 ARG 45 8.911 -6.773 8.768 336 2HH2 ARG 45 HH22 ARG 45 8.852 -7.149 10.432 337 H GLN 46 HN GLN 46 3.345 -3.166 8.763 338 HA GLN 46 HA GLN 46 1.077 -3.517 10.416 339 1HB GLN 46 HB2 GLN 46 3.017 -1.213 10.272 340 2HB GLN 46 HB1 GLN 46 1.690 -1.294 11.423 341 1HG GLN 46 HG2 GLN 46 2.603 -3.397 12.298 342 2HG GLN 46 HG1 GLN 46 3.966 -3.248 11.195 343 1HE2 GLN 46 HE21 GLN 46 3.910 -3.384 14.069 344 2HE2 GLN 46 HE22 GLN 46 4.704 -1.975 14.660 345 H ILE 47 HN ILE 47 1.311 -2.198 7.364 346 HA ILE 47 HA ILE 47 -1.134 -0.695 7.819 347 HB ILE 47 HB ILE 47 0.278 -1.155 5.168 348 1HG1 ILE 47 HG12 ILE 47 0.195 1.328 6.909 349 2HG1 ILE 47 HG11 ILE 47 1.579 0.249 6.767 350 1HG2 ILE 47 HG21 ILE 47 -2.132 -0.783 4.952 351 2HG2 ILE 47 HG22 ILE 47 -1.247 0.619 4.348 352 3HG2 ILE 47 HG23 ILE 47 -2.011 0.669 5.941 353 1HD1 ILE 47 HD11 ILE 47 1.854 2.245 5.409 354 2HD1 ILE 47 HD12 ILE 47 0.370 1.867 4.534 355 3HD1 ILE 47 HD13 ILE 47 1.768 0.801 4.404 356 H LEU 48 HN LEU 48 -0.107 -3.302 5.624 357 HA LEU 48 HA LEU 48 -2.797 -3.881 4.991 358 1HB LEU 48 HB2 LEU 48 -0.305 -5.500 4.511 359 2HB LEU 48 HB1 LEU 48 -1.887 -6.026 3.989 360 HG LEU 48 HG LEU 48 -0.845 -5.131 2.103 361 1HD1 LEU 48 HD11 LEU 48 -2.710 -3.034 3.148 362 2HD1 LEU 48 HD12 LEU 48 -3.131 -4.490 2.246 363 3HD1 LEU 48 HD13 LEU 48 -2.204 -3.210 1.467 364 1HD2 LEU 48 HD21 LEU 48 -0.148 -2.672 3.694 365 2HD2 LEU 48 HD22 LEU 48 0.141 -2.888 1.967 366 3HD2 LEU 48 HD23 LEU 48 0.976 -3.911 3.136 367 H GLU 49 HN GLU 49 -0.512 -5.645 7.034 368 HA GLU 49 HA GLU 49 -2.451 -7.600 7.730 369 1HB GLU 49 HB2 GLU 49 -0.046 -8.099 7.673 370 2HB GLU 49 HB1 GLU 49 0.220 -6.986 9.008 371 1HG GLU 49 HG2 GLU 49 -1.277 -8.433 10.387 372 2HG GLU 49 HG1 GLU 49 -1.290 -9.579 9.048 373 H ARG 50 HN ARG 50 -1.210 -4.717 9.299 374 HA ARG 50 HA ARG 50 -2.757 -5.309 11.662 375 1HB ARG 50 HB2 ARG 50 -0.547 -4.353 11.925 376 2HB ARG 50 HB1 ARG 50 -1.031 -2.927 11.029 377 1HG ARG 50 HG2 ARG 50 -0.944 -2.442 13.384 378 2HG ARG 50 HG1 ARG 50 -2.610 -2.363 12.820 379 1HD ARG 50 HD2 ARG 50 -3.074 -4.533 13.771 380 2HD ARG 50 HD1 ARG 50 -1.373 -4.729 14.212 381 HE ARG 50 HE ARG 50 -1.784 -2.630 15.582 382 1HH1 ARG 50 HH11 ARG 50 -4.295 -5.086 15.062 383 2HH1 ARG 50 HH12 ARG 50 -5.059 -4.823 16.562 384 1HH2 ARG 50 HH21 ARG 50 -2.788 -2.361 17.704 385 2HH2 ARG 50 HH22 ARG 50 -4.185 -3.252 18.107 386 H GLU 51 HN GLU 51 -2.852 -2.578 9.298 387 HA GLU 51 HA GLU 51 -5.016 -1.237 10.508 388 1HB GLU 51 HB2 GLU 51 -4.171 -1.228 7.612 389 2HB GLU 51 HB1 GLU 51 -5.301 -0.102 8.334 390 1HG GLU 51 HG2 GLU 51 -2.456 -0.361 9.258 391 2HG GLU 51 HG1 GLU 51 -2.968 0.761 7.994 392 H HIS 52 HN HIS 52 -4.956 -3.378 7.693 393 HA HIS 52 HA HIS 52 -7.892 -3.288 7.653 394 1HB HIS 52 HB2 HIS 52 -6.494 -2.773 5.606 395 2HB HIS 52 HB1 HIS 52 -6.054 -4.474 5.573 396 HD1 HIS 52 HD1 HIS 52 -8.588 -2.114 4.452 397 HD2 HIS 52 HD2 HIS 52 -8.348 -6.224 5.017 398 HE1 HIS 52 HE1 HIS 52 -10.570 -3.084 3.267 399 HE2 HIS 52 HE2 HIS 52 -10.558 -5.495 3.906 400 H ASP 53 HN ASP 53 -5.367 -5.305 8.627 401 HA ASP 53 HA ASP 53 -5.077 -7.458 9.126 402 1HB ASP 53 HB2 ASP 53 -7.051 -7.304 10.606 403 2HB ASP 53 HB1 ASP 53 -8.113 -7.626 9.243 404 H LEU 54 HN LEU 54 -4.174 -7.545 7.226 405 HA LEU 54 HA LEU 54 -5.320 -9.399 5.296 406 1HB LEU 54 HB2 LEU 54 -5.871 -7.117 4.596 407 2HB LEU 54 HB1 LEU 54 -4.190 -6.668 4.746 408 HG LEU 54 HG LEU 54 -3.634 -8.130 2.866 409 1HD1 LEU 54 HD11 LEU 54 -6.626 -8.577 2.731 410 2HD1 LEU 54 HD12 LEU 54 -5.432 -9.793 3.182 411 3HD1 LEU 54 HD13 LEU 54 -5.442 -9.134 1.546 412 1HD2 LEU 54 HD21 LEU 54 -4.195 -5.796 2.610 413 2HD2 LEU 54 HD22 LEU 54 -5.888 -6.225 2.444 414 3HD2 LEU 54 HD23 LEU 54 -4.726 -6.729 1.193 415 H VAL 55 HN VAL 55 -3.765 -10.889 5.962 416 HA VAL 55 HA VAL 55 -1.136 -10.056 6.632 417 HB VAL 55 HB VAL 55 -2.159 -12.877 6.244 418 1HG1 VAL 55 HG11 VAL 55 0.325 -11.881 7.643 419 2HG1 VAL 55 HG12 VAL 55 0.275 -12.771 6.121 420 3HG1 VAL 55 HG13 VAL 55 -0.240 -13.552 7.616 421 1HG2 VAL 55 HG21 VAL 55 -2.354 -12.914 8.688 422 2HG2 VAL 55 HG22 VAL 55 -3.404 -11.696 7.963 423 3HG2 VAL 55 HG23 VAL 55 -1.899 -11.211 8.745 424 H LEU 56 HN LEU 56 -0.321 -9.057 4.847 425 HA LEU 56 HA LEU 56 0.430 -10.819 2.647 426 1HB LEU 56 HB2 LEU 56 0.848 -7.847 2.967 427 2HB LEU 56 HB1 LEU 56 1.299 -8.779 1.564 428 HG LEU 56 HG LEU 56 -1.521 -8.240 2.504 429 1HD1 LEU 56 HD11 LEU 56 -1.702 -6.993 0.415 430 2HD1 LEU 56 HD12 LEU 56 -0.002 -7.316 0.075 431 3HD1 LEU 56 HD13 LEU 56 -0.451 -6.328 1.464 432 1HD2 LEU 56 HD21 LEU 56 -2.224 -9.384 0.457 433 2HD2 LEU 56 HD22 LEU 56 -1.346 -10.470 1.533 434 3HD2 LEU 56 HD23 LEU 56 -0.547 -9.801 0.111 435 HA PRO 57 HA PRO 57 4.245 -11.226 5.006 436 1HB PRO 57 HB2 PRO 57 4.740 -13.322 3.056 437 2HB PRO 57 HB1 PRO 57 4.580 -13.462 4.806 438 1HG PRO 57 HG2 PRO 57 2.705 -14.434 3.151 439 2HG PRO 57 HG1 PRO 57 2.234 -13.632 4.667 440 1HD PRO 57 HD2 PRO 57 2.339 -12.499 1.890 441 2HD PRO 57 HD1 PRO 57 1.020 -12.420 3.087 442 H ILE 58 HN ILE 58 6.594 -11.388 4.336 443 HA ILE 58 HA ILE 58 7.153 -9.328 2.502 444 HB ILE 58 HB ILE 58 9.109 -11.304 3.762 445 1HG1 ILE 58 HG12 ILE 58 9.876 -9.229 5.023 446 2HG1 ILE 58 HG11 ILE 58 8.479 -8.404 4.353 447 1HG2 ILE 58 HG21 ILE 58 10.058 -10.552 1.656 448 2HG2 ILE 58 HG22 ILE 58 10.950 -9.839 2.993 449 3HG2 ILE 58 HG23 ILE 58 9.795 -8.871 2.084 450 1HD1 ILE 58 HD11 ILE 58 7.010 -9.948 5.538 451 2HD1 ILE 58 HD12 ILE 58 8.099 -9.105 6.642 452 3HD1 ILE 58 HD13 ILE 58 8.420 -10.780 6.196 453 H ARG 59 HN ARG 59 7.178 -12.775 2.130 454 HA ARG 59 HA ARG 59 8.338 -12.863 -0.405 455 1HB ARG 59 HB2 ARG 59 7.156 -15.055 -0.785 456 2HB ARG 59 HB1 ARG 59 8.094 -14.973 0.694 457 1HG ARG 59 HG2 ARG 59 5.188 -14.352 0.808 458 2HG ARG 59 HG1 ARG 59 5.691 -16.030 0.615 459 1HD ARG 59 HD2 ARG 59 6.812 -14.276 2.789 460 2HD ARG 59 HD1 ARG 59 5.295 -15.146 2.986 461 HE ARG 59 HE ARG 59 6.918 -17.077 2.200 462 1HH1 ARG 59 HH11 ARG 59 7.369 -14.598 4.730 463 2HH1 ARG 59 HH12 ARG 59 8.289 -15.630 5.725 464 1HH2 ARG 59 HH21 ARG 59 8.120 -18.479 3.679 465 2HH2 ARG 59 HH22 ARG 59 8.616 -17.855 5.187 466 H GLU 60 HN GLU 60 5.337 -11.495 0.372 467 HA GLU 60 HA GLU 60 4.771 -11.319 -2.498 468 1HB GLU 60 HB2 GLU 60 2.852 -11.198 -0.190 469 2HB GLU 60 HB1 GLU 60 2.421 -10.646 -1.804 470 1HG GLU 60 HG2 GLU 60 3.001 -12.892 -2.659 471 2HG GLU 60 HG1 GLU 60 3.263 -13.415 -0.997 472 H VAL 61 HN VAL 61 5.358 -9.584 0.382 473 HA VAL 61 HA VAL 61 4.679 -7.016 -0.571 474 HB VAL 61 HB VAL 61 6.428 -7.945 1.724 475 1HG1 VAL 61 HG11 VAL 61 5.606 -5.111 1.095 476 2HG1 VAL 61 HG12 VAL 61 7.247 -5.755 1.013 477 3HG1 VAL 61 HG13 VAL 61 6.418 -5.649 2.566 478 1HG2 VAL 61 HG21 VAL 61 4.567 -7.163 3.093 479 2HG2 VAL 61 HG22 VAL 61 4.051 -8.389 1.929 480 3HG2 VAL 61 HG23 VAL 61 3.695 -6.690 1.635 481 H ARG 62 HN ARG 62 7.540 -8.963 -0.738 482 HA ARG 62 HA ARG 62 9.328 -6.875 -1.353 483 1HB ARG 62 HB2 ARG 62 9.862 -9.110 -0.321 484 2HB ARG 62 HB1 ARG 62 9.668 -9.826 -1.909 485 1HG ARG 62 HG2 ARG 62 11.523 -8.543 -2.742 486 2HG ARG 62 HG1 ARG 62 11.675 -7.713 -1.198 487 1HD ARG 62 HD2 ARG 62 12.216 -9.827 -0.099 488 2HD ARG 62 HD1 ARG 62 12.004 -10.681 -1.630 489 HE ARG 62 HE ARG 62 13.851 -8.945 -2.321 490 1HH1 ARG 62 HH11 ARG 62 13.735 -10.909 0.640 491 2HH1 ARG 62 HH12 ARG 62 15.414 -11.008 0.795 492 1HH2 ARG 62 HH21 ARG 62 16.134 -9.101 -2.101 493 2HH2 ARG 62 HH22 ARG 62 16.828 -9.984 -0.808 494 H GLN 63 HN GLN 63 6.890 -8.174 -3.272 495 HA GLN 63 HA GLN 63 8.352 -7.302 -5.661 496 1HB GLN 63 HB2 GLN 63 6.867 -8.613 -7.112 497 2HB GLN 63 HB1 GLN 63 7.721 -9.640 -5.981 498 1HG GLN 63 HG2 GLN 63 5.018 -8.747 -5.188 499 2HG GLN 63 HG1 GLN 63 5.118 -9.863 -6.544 500 1HE2 GLN 63 HE21 GLN 63 7.482 -9.984 -4.014 501 2HE2 GLN 63 HE22 GLN 63 6.889 -11.442 -3.285 502 H LEU 64 HN LEU 64 6.420 -6.034 -3.544 503 HA LEU 64 HA LEU 64 4.316 -4.996 -5.138 504 1HB LEU 64 HB2 LEU 64 5.501 -3.931 -2.569 505 2HB LEU 64 HB1 LEU 64 4.005 -3.381 -3.292 506 HG LEU 64 HG LEU 64 4.519 -6.139 -2.192 507 1HD1 LEU 64 HD11 LEU 64 2.844 -3.877 -1.141 508 2HD1 LEU 64 HD12 LEU 64 4.355 -4.473 -0.451 509 3HD1 LEU 64 HD13 LEU 64 2.923 -5.502 -0.461 510 1HD2 LEU 64 HD21 LEU 64 2.129 -6.502 -2.537 511 2HD2 LEU 64 HD22 LEU 64 2.966 -6.202 -4.059 512 3HD2 LEU 64 HD23 LEU 64 2.003 -4.924 -3.318 513 H THR 65 HN THR 65 4.436 -3.423 -6.644 514 HA THR 65 HA THR 65 6.978 -2.291 -7.296 515 HB THR 65 HB THR 65 5.645 -1.501 -9.265 516 HG1 THR 65 HG1 THR 65 3.526 -1.498 -8.941 517 1HG2 THR 65 HG21 THR 65 5.352 -4.382 -8.481 518 2HG2 THR 65 HG22 THR 65 6.803 -3.681 -9.209 519 3HG2 THR 65 HG23 THR 65 5.290 -3.767 -10.135 520 H LEU 66 HN LEU 66 5.872 -1.263 -4.889 521 HA LEU 66 HA LEU 66 5.640 0.646 -3.703 522 1HB LEU 66 HB2 LEU 66 7.632 1.252 -5.214 523 2HB LEU 66 HB1 LEU 66 6.500 2.154 -6.188 524 HG LEU 66 HG LEU 66 7.818 3.593 -4.710 525 1HD1 LEU 66 HD11 LEU 66 6.003 4.875 -3.690 526 2HD1 LEU 66 HD12 LEU 66 4.929 3.487 -3.963 527 3HD1 LEU 66 HD13 LEU 66 5.619 4.342 -5.337 528 1HD2 LEU 66 HD21 LEU 66 7.478 3.545 -2.285 529 2HD2 LEU 66 HD22 LEU 66 8.204 2.052 -2.881 530 3HD2 LEU 66 HD23 LEU 66 6.492 2.092 -2.457 531 H ARG 67 HN ARG 67 4.416 1.411 -6.954 532 HA ARG 67 HA ARG 67 2.255 2.864 -5.728 533 1HB ARG 67 HB2 ARG 67 3.116 2.528 -8.563 534 2HB ARG 67 HB1 ARG 67 1.510 3.148 -8.197 535 1HG ARG 67 HG2 ARG 67 4.097 4.332 -7.213 536 2HG ARG 67 HG1 ARG 67 3.121 4.948 -8.551 537 1HD ARG 67 HD2 ARG 67 1.214 5.136 -6.955 538 2HD ARG 67 HD1 ARG 67 2.328 4.709 -5.672 539 HE ARG 67 HE ARG 67 3.396 6.767 -5.892 540 1HH1 ARG 67 HH11 ARG 67 0.722 6.483 -8.247 541 2HH1 ARG 67 HH12 ARG 67 0.438 8.153 -8.336 542 1HH2 ARG 67 HH21 ARG 67 2.953 9.148 -6.016 543 2HH2 ARG 67 HH22 ARG 67 1.695 9.664 -7.013 544 H LYS 68 HN LYS 68 2.741 -0.289 -6.690 545 HA LYS 68 HA LYS 68 0.121 -1.132 -7.263 546 1HB LYS 68 HB2 LYS 68 2.177 -2.563 -7.413 547 2HB LYS 68 HB1 LYS 68 2.209 -2.630 -5.660 548 1HG LYS 68 HG2 LYS 68 0.028 -3.758 -5.682 549 2HG LYS 68 HG1 LYS 68 0.044 -3.712 -7.448 550 1HD LYS 68 HD2 LYS 68 2.109 -5.043 -7.448 551 2HD LYS 68 HD1 LYS 68 2.058 -5.103 -5.685 552 1HE LYS 68 HE2 LYS 68 -0.112 -6.245 -5.802 553 2HE LYS 68 HE1 LYS 68 -0.027 -6.206 -7.560 554 1HZ LYS 68 HZ1 LYS 68 1.802 -7.693 -5.737 555 2HZ LYS 68 HZ2 LYS 68 2.053 -7.524 -7.379 556 3HZ LYS 68 HZ3 LYS 68 0.667 -8.324 -6.804 557 H LEU 69 HN LEU 69 1.754 -0.274 -4.379 558 HA LEU 69 HA LEU 69 0.129 -1.292 -2.369 559 1HB LEU 69 HB2 LEU 69 1.847 1.160 -2.455 560 2HB LEU 69 HB1 LEU 69 0.840 0.846 -1.063 561 HG LEU 69 HG LEU 69 3.074 0.135 -0.600 562 1HD1 LEU 69 HD11 LEU 69 1.283 -2.223 -1.037 563 2HD1 LEU 69 HD12 LEU 69 1.337 -1.176 0.383 564 3HD1 LEU 69 HD13 LEU 69 2.718 -2.200 -0.012 565 1HD2 LEU 69 HD21 LEU 69 4.197 -1.641 -1.858 566 2HD2 LEU 69 HD22 LEU 69 3.893 -0.228 -2.865 567 3HD2 LEU 69 HD23 LEU 69 2.868 -1.656 -3.017 568 H GLN 70 HN GLN 70 -0.396 1.630 -4.290 569 HA GLN 70 HA GLN 70 -2.727 2.245 -2.660 570 1HB GLN 70 HB2 GLN 70 -2.970 4.213 -4.283 571 2HB GLN 70 HB1 GLN 70 -1.635 4.231 -3.137 572 1HG GLN 70 HG2 GLN 70 -0.080 3.671 -4.798 573 2HG GLN 70 HG1 GLN 70 -1.349 3.260 -5.954 574 1HE2 GLN 70 HE21 GLN 70 -2.205 4.820 -7.141 575 2HE2 GLN 70 HE22 GLN 70 -1.651 6.453 -7.158 576 H GLU 71 HN GLU 71 -2.265 0.148 -5.047 577 HA GLU 71 HA GLU 71 -4.935 0.685 -6.135 578 1HB GLU 71 HB2 GLU 71 -2.967 0.468 -7.738 579 2HB GLU 71 HB1 GLU 71 -2.905 -1.233 -7.293 580 1HG GLU 71 HG2 GLU 71 -4.115 -0.881 -9.380 581 2HG GLU 71 HG1 GLU 71 -5.156 -1.561 -8.128 582 H MET 72 HN MET 72 -2.966 -1.498 -4.374 583 HA MET 72 HA MET 72 -5.295 -3.264 -3.991 584 1HB MET 72 HB2 MET 72 -3.745 -5.014 -3.304 585 2HB MET 72 HB1 MET 72 -3.259 -4.405 -4.877 586 1HG MET 72 HG2 MET 72 -1.512 -3.062 -3.787 587 2HG MET 72 HG1 MET 72 -1.997 -3.730 -2.228 588 1HE MET 72 HE1 MET 72 -1.802 -6.354 -1.637 589 2HE MET 72 HE2 MET 72 -1.165 -7.551 -2.761 590 3HE MET 72 HE3 MET 72 -2.696 -6.744 -3.106 591 H SER 73 HN SER 73 -4.705 -0.656 -2.815 592 HA SER 73 HA SER 73 -3.688 -0.898 -0.220 593 1HB SER 73 HB2 SER 73 -4.751 1.409 -0.004 594 2HB SER 73 HB1 SER 73 -3.591 1.189 -1.299 595 HG SER 73 HG SER 73 -5.463 2.237 -2.116 596 H SER 74 HN SER 74 -6.974 -0.665 -1.510 597 HA SER 74 HA SER 74 -9.001 -1.388 -0.759 598 1HB SER 74 HB2 SER 74 -7.635 -3.539 -0.622 599 2HB SER 74 HB1 SER 74 -7.372 -3.173 1.079 600 HG SER 74 HG SER 74 -9.191 -4.616 0.282 601 H LYS 75 HN LYS 75 -7.931 0.951 0.403 602 HA LYS 75 HA LYS 75 -7.942 0.735 3.246 603 1HB LYS 75 HB2 LYS 75 -8.144 3.310 1.694 604 2HB LYS 75 HB1 LYS 75 -7.565 3.091 3.343 605 1HG LYS 75 HG2 LYS 75 -5.788 1.565 2.275 606 2HG LYS 75 HG1 LYS 75 -6.242 2.354 0.769 607 1HD LYS 75 HD2 LYS 75 -5.140 3.641 3.254 608 2HD LYS 75 HD1 LYS 75 -4.327 3.443 1.711 609 1HE LYS 75 HE2 LYS 75 -6.683 5.210 2.332 610 2HE LYS 75 HE1 LYS 75 -5.008 5.667 2.009 611 1HZ LYS 75 HZ1 LYS 75 -5.299 4.744 -0.275 612 2HZ LYS 75 HZ2 LYS 75 -6.263 6.077 0.074 613 3HZ LYS 75 HZ3 LYS 75 -6.971 4.568 0.039 614 H ALA 76 HN ALA 76 -10.319 1.540 0.865 615 HA ALA 76 HA ALA 76 -12.224 1.813 3.055 616 1HB ALA 76 HB1 ALA 76 -12.029 3.885 1.751 617 2HB ALA 76 HB2 ALA 76 -13.628 3.156 1.582 618 3HB ALA 76 HB3 ALA 76 -12.445 2.996 0.285 619 H GLY 77 HN GLY 77 -12.616 -0.364 3.241 620 1HA GLY 77 HA2 GLY 77 -13.338 -1.990 0.960 621 2HA GLY 77 HA1 GLY 77 -13.341 -2.482 2.649 622 H SER 78 HN SER 78 -14.912 0.393 2.095 623 HA SER 78 HA SER 78 -17.519 -0.641 2.645 624 1HB SER 78 HB2 SER 78 -17.946 1.872 2.554 625 2HB SER 78 HB1 SER 78 -16.823 1.302 3.794 626 HG SER 78 HG SER 78 -15.703 2.911 2.877 627 H ASP 79 HN ASP 79 -15.599 -0.163 -0.038 628 HA ASP 79 HA ASP 79 -15.796 0.192 -2.226 629 1HB ASP 79 HB2 ASP 79 -17.222 -1.907 -2.028 630 2HB ASP 79 HB1 ASP 79 -18.638 -0.860 -1.993 631 H THR 80 HN THR 80 -15.835 2.369 -1.078 632 HA THR 80 HA THR 80 -18.150 3.899 -1.823 633 HB THR 80 HB THR 80 -16.643 5.739 -0.722 634 HG1 THR 80 HG1 THR 80 -15.612 3.697 0.825 635 1HG2 THR 80 HG21 THR 80 -17.841 3.457 0.861 636 2HG2 THR 80 HG22 THR 80 -18.727 4.840 0.223 637 3HG2 THR 80 HG23 THR 80 -17.509 5.075 1.477 638 H GLU 81 HN GLU 81 -15.594 2.740 -3.320 639 HA GLU 81 HA GLU 81 -14.783 4.954 -4.950 640 1HB GLU 81 HB2 GLU 81 -14.640 1.989 -5.594 641 2HB GLU 81 HB1 GLU 81 -13.642 3.269 -6.258 642 1HG GLU 81 HG2 GLU 81 -13.564 2.252 -3.422 643 2HG GLU 81 HG1 GLU 81 -12.411 1.863 -4.693 644 H LEU 82 HN LEU 82 -16.714 5.824 -5.775 645 HA LEU 82 HA LEU 82 -18.443 3.965 -7.272 646 1HB LEU 82 HB2 LEU 82 -19.557 4.749 -5.277 647 2HB LEU 82 HB1 LEU 82 -19.197 6.412 -5.686 648 HG LEU 82 HG LEU 82 -20.686 6.203 -7.669 649 1HD1 LEU 82 HD11 LEU 82 -20.560 3.818 -8.010 650 2HD1 LEU 82 HD12 LEU 82 -22.234 4.330 -7.794 651 3HD1 LEU 82 HD13 LEU 82 -21.377 3.537 -6.473 652 1HD2 LEU 82 HD21 LEU 82 -21.963 5.566 -5.015 653 2HD2 LEU 82 HD22 LEU 82 -22.779 6.267 -6.414 654 3HD2 LEU 82 HD23 LEU 82 -21.509 7.170 -5.589 655 H ALA 83 HN ALA 83 -18.782 4.389 -9.332 656 HA ALA 83 HA ALA 83 -17.827 6.866 -10.472 657 1HB ALA 83 HB1 ALA 83 -18.507 5.830 -12.607 658 2HB ALA 83 HB2 ALA 83 -19.189 4.466 -11.721 659 3HB ALA 83 HB3 ALA 83 -17.449 4.764 -11.681 660 H ALA 84 HN ALA 84 -19.117 8.521 -10.817 661 HA ALA 84 HA ALA 84 -21.945 8.200 -10.115 662 1HB ALA 84 HB1 ALA 84 -21.918 10.595 -9.622 663 2HB ALA 84 HB2 ALA 84 -20.231 10.687 -10.133 664 3HB ALA 84 HB3 ALA 84 -20.670 9.747 -8.706 665 HA PRO 85 HA PRO 85 -22.947 9.419 -14.288 666 1HB PRO 85 HB2 PRO 85 -25.633 10.061 -13.638 667 2HB PRO 85 HB1 PRO 85 -25.035 8.506 -14.217 668 1HG PRO 85 HG2 PRO 85 -26.096 9.012 -11.678 669 2HG PRO 85 HG1 PRO 85 -25.159 7.585 -12.150 670 1HD PRO 85 HD2 PRO 85 -24.302 10.030 -10.690 671 2HD PRO 85 HD1 PRO 85 -23.742 8.352 -10.515 672 H LYS 86 HN LYS 86 -22.246 11.426 -12.036 673 HA LYS 86 HA LYS 86 -22.866 13.765 -13.596 674 1HB LYS 86 HB2 LYS 86 -24.698 13.603 -11.879 675 2HB LYS 86 HB1 LYS 86 -23.475 13.677 -10.620 676 1HG LYS 86 HG2 LYS 86 -22.837 15.907 -11.345 677 2HG LYS 86 HG1 LYS 86 -24.019 15.833 -12.651 678 1HD LYS 86 HD2 LYS 86 -25.825 15.670 -11.019 679 2HD LYS 86 HD1 LYS 86 -24.648 15.704 -9.699 680 1HE LYS 86 HE2 LYS 86 -23.915 17.922 -10.397 681 2HE LYS 86 HE1 LYS 86 -25.055 17.886 -11.741 682 1HZ LYS 86 HZ1 LYS 86 -26.875 17.877 -10.175 683 2HZ LYS 86 HZ2 LYS 86 -25.829 19.163 -9.826 684 3HZ LYS 86 HZ3 LYS 86 -25.799 17.771 -8.872 685 H SER 87 HN SER 87 -20.572 12.765 -13.786 686 HA SER 87 HA SER 87 -18.819 14.174 -11.910 687 1HB SER 87 HB2 SER 87 -18.243 11.795 -13.709 688 2HB SER 87 HB1 SER 87 -17.066 12.593 -12.663 689 HG SER 87 HG SER 87 -18.728 12.094 -10.954 690 H LYS 88 HN LYS 88 -17.137 15.419 -12.881 691 HA LYS 88 HA LYS 88 -17.716 15.939 -15.687 692 1HB LYS 88 HB2 LYS 88 -17.086 18.284 -15.403 693 2HB LYS 88 HB1 LYS 88 -18.476 17.837 -14.438 694 1HG LYS 88 HG2 LYS 88 -17.147 17.844 -12.433 695 2HG LYS 88 HG1 LYS 88 -15.673 18.113 -13.374 696 1HD LYS 88 HD2 LYS 88 -18.029 19.990 -13.219 697 2HD LYS 88 HD1 LYS 88 -16.485 20.201 -12.386 698 1HE LYS 88 HE2 LYS 88 -15.322 20.346 -14.515 699 2HE LYS 88 HE1 LYS 88 -16.818 20.026 -15.383 700 1HZ LYS 88 HZ1 LYS 88 -16.265 22.363 -15.384 701 2HZ LYS 88 HZ2 LYS 88 -16.295 22.397 -13.679 702 3HZ LYS 88 HZ3 LYS 88 -17.708 22.098 -14.528 703 H ASN 89 HN ASN 89 -16.251 15.501 -17.015 704 HA ASN 89 HA ASN 89 -13.452 15.652 -16.170 705 1HB ASN 89 HB2 ASN 89 -14.440 13.288 -16.528 706 2HB ASN 89 HB1 ASN 89 -14.524 13.728 -18.233 707 1HD2 ASN 89 HD21 ASN 89 -12.529 12.896 -15.607 708 2HD2 ASN 89 HD22 ASN 89 -11.047 12.677 -16.476 Start of MODEL 25 1 1H GLY 1 HT1 GLY 1 -11.718 6.086 10.527 2 2H GLY 1 HT2 GLY 1 -12.087 4.545 9.931 3 3H GLY 1 HT3 GLY 1 -11.948 4.784 11.606 4 1HA GLY 1 HA1 GLY 1 -14.240 4.649 11.022 5 2HA GLY 1 HA2 GLY 1 -13.847 6.295 11.522 6 H ASP 2 HN ASP 2 -15.590 7.096 10.310 7 HA ASP 2 HA ASP 2 -15.515 6.662 7.416 8 1HB ASP 2 HB2 ASP 2 -17.715 6.586 8.685 9 2HB ASP 2 HB1 ASP 2 -17.527 8.302 9.004 10 H GLY 3 HN GLY 3 -15.165 8.349 5.933 11 1HA GLY 3 HA2 GLY 3 -14.681 10.632 5.463 12 2HA GLY 3 HA1 GLY 3 -14.050 10.794 7.107 13 H GLU 4 HN GLU 4 -12.354 9.054 7.581 14 HA GLU 4 HA GLU 4 -10.511 8.834 5.311 15 1HB GLU 4 HB2 GLU 4 -9.882 9.036 8.263 16 2HB GLU 4 HB1 GLU 4 -8.699 8.762 6.996 17 1HG GLU 4 HG2 GLU 4 -9.153 10.951 6.072 18 2HG GLU 4 HG1 GLU 4 -10.401 11.220 7.289 19 H ALA 5 HN ALA 5 -10.788 6.839 4.622 20 HA ALA 5 HA ALA 5 -11.674 4.704 6.320 21 1HB ALA 5 HB1 ALA 5 -12.264 4.768 3.944 22 2HB ALA 5 HB2 ALA 5 -11.369 3.297 4.325 23 3HB ALA 5 HB3 ALA 5 -10.560 4.638 3.512 24 H GLN 6 HN GLN 6 -8.716 5.803 4.926 25 HA GLN 6 HA GLN 6 -6.948 4.939 6.888 26 1HB GLN 6 HB2 GLN 6 -7.599 2.683 5.877 27 2HB GLN 6 HB1 GLN 6 -6.885 3.245 4.377 28 1HG GLN 6 HG2 GLN 6 -4.738 3.541 5.640 29 2HG GLN 6 HG1 GLN 6 -5.508 2.696 6.985 30 1HE2 GLN 6 HE21 GLN 6 -6.226 0.580 6.619 31 2HE2 GLN 6 HE22 GLN 6 -5.417 -0.425 5.449 32 H ARG 7 HN ARG 7 -4.747 5.571 6.106 33 HA ARG 7 HA ARG 7 -4.951 7.350 3.846 34 1HB ARG 7 HB2 ARG 7 -2.640 8.001 4.320 35 2HB ARG 7 HB1 ARG 7 -3.603 8.077 5.778 36 1HG ARG 7 HG2 ARG 7 -2.628 5.934 6.503 37 2HG ARG 7 HG1 ARG 7 -1.620 5.928 5.049 38 1HD ARG 7 HD2 ARG 7 -0.673 8.089 5.714 39 2HD ARG 7 HD1 ARG 7 -1.661 8.062 7.166 40 HE ARG 7 HE ARG 7 -0.118 5.737 7.155 41 1HH1 ARG 7 HH11 ARG 7 0.347 9.251 7.391 42 2HH1 ARG 7 HH12 ARG 7 1.787 9.141 8.290 43 1HH2 ARG 7 HH21 ARG 7 1.806 5.571 8.332 44 2HH2 ARG 7 HH22 ARG 7 2.686 6.956 8.833 45 H ASP 8 HN ASP 8 -3.547 7.149 1.994 46 HA ASP 8 HA ASP 8 -3.590 4.427 1.101 47 1HB ASP 8 HB2 ASP 8 -4.184 6.274 -0.420 48 2HB ASP 8 HB1 ASP 8 -2.531 6.872 -0.327 49 H LEU 9 HN LEU 9 -1.722 3.374 0.053 50 HA LEU 9 HA LEU 9 0.345 3.300 2.006 51 1HB LEU 9 HB2 LEU 9 -0.033 1.670 -0.488 52 2HB LEU 9 HB1 LEU 9 1.264 1.427 0.663 53 HG LEU 9 HG LEU 9 -1.684 1.065 1.180 54 1HD1 LEU 9 HD11 LEU 9 -1.069 -1.278 1.513 55 2HD1 LEU 9 HD12 LEU 9 0.597 -0.896 1.063 56 3HD1 LEU 9 HD13 LEU 9 -0.699 -0.724 -0.120 57 1HD2 LEU 9 HD21 LEU 9 -0.585 1.969 3.155 58 2HD2 LEU 9 HD22 LEU 9 0.657 0.719 3.045 59 3HD2 LEU 9 HD23 LEU 9 -1.013 0.271 3.394 60 H VAL 10 HN VAL 10 0.062 4.813 -1.128 61 HA VAL 10 HA VAL 10 2.928 5.017 -1.336 62 HB VAL 10 HB VAL 10 0.751 6.504 -2.883 63 1HG1 VAL 10 HG11 VAL 10 2.513 7.052 -4.501 64 2HG1 VAL 10 HG12 VAL 10 3.719 6.301 -3.453 65 3HG1 VAL 10 HG13 VAL 10 2.871 7.752 -2.923 66 1HG2 VAL 10 HG21 VAL 10 2.447 4.130 -3.620 67 2HG2 VAL 10 HG22 VAL 10 1.296 4.944 -4.679 68 3HG2 VAL 10 HG23 VAL 10 0.727 4.104 -3.235 69 H LYS 11 HN LYS 11 0.550 6.500 0.413 70 HA LYS 11 HA LYS 11 2.016 8.981 0.842 71 1HB LYS 11 HB2 LYS 11 -0.576 7.935 1.903 72 2HB LYS 11 HB1 LYS 11 0.039 9.554 2.247 73 1HG LYS 11 HG2 LYS 11 -0.763 8.455 -0.451 74 2HG LYS 11 HG1 LYS 11 -1.680 9.611 0.519 75 1HD LYS 11 HD2 LYS 11 0.177 11.208 0.339 76 2HD LYS 11 HD1 LYS 11 1.064 10.051 -0.653 77 1HE LYS 11 HE2 LYS 11 -0.010 11.734 -2.043 78 2HE LYS 11 HE1 LYS 11 -0.703 10.143 -2.341 79 1HZ LYS 11 HZ1 LYS 11 -2.343 11.990 -2.137 80 2HZ LYS 11 HZ2 LYS 11 -1.926 12.126 -0.506 81 3HZ LYS 11 HZ3 LYS 11 -2.602 10.685 -1.108 82 H ALA 12 HN ALA 12 2.365 5.972 1.831 83 HA ALA 12 HA ALA 12 3.332 6.735 4.500 84 1HB ALA 12 HB1 ALA 12 1.178 5.587 4.793 85 2HB ALA 12 HB2 ALA 12 2.512 4.646 5.464 86 3HB ALA 12 HB3 ALA 12 1.808 4.192 3.914 87 H VAL 13 HN VAL 13 3.304 3.925 2.294 88 HA VAL 13 HA VAL 13 5.792 2.901 3.157 89 HB VAL 13 HB VAL 13 4.199 2.356 0.634 90 1HG1 VAL 13 HG11 VAL 13 6.512 1.793 0.256 91 2HG1 VAL 13 HG12 VAL 13 5.554 0.319 0.387 92 3HG1 VAL 13 HG13 VAL 13 6.568 0.841 1.741 93 1HG2 VAL 13 HG21 VAL 13 3.041 1.743 2.685 94 2HG2 VAL 13 HG22 VAL 13 4.440 0.808 3.213 95 3HG2 VAL 13 HG23 VAL 13 3.527 0.300 1.794 96 H ALA 14 HN ALA 14 4.848 4.728 0.265 97 HA ALA 14 HA ALA 14 7.457 4.900 -0.805 98 1HB ALA 14 HB1 ALA 14 5.114 6.780 -1.222 99 2HB ALA 14 HB2 ALA 14 5.438 5.330 -2.150 100 3HB ALA 14 HB3 ALA 14 6.552 6.706 -2.254 101 H HIS 15 HN HIS 15 5.774 6.614 1.622 102 HA HIS 15 HA HIS 15 7.479 8.883 1.771 103 1HB HIS 15 HB2 HIS 15 5.164 8.945 2.611 104 2HB HIS 15 HB1 HIS 15 5.565 7.745 3.831 105 HD1 HIS 15 HD1 HIS 15 6.051 8.713 6.071 106 HD2 HIS 15 HD2 HIS 15 6.806 11.421 3.005 107 HE1 HIS 15 HE1 HIS 15 6.745 10.833 7.191 108 HE2 HIS 15 HE2 HIS 15 7.429 12.358 5.324 109 H ILE 16 HN ILE 16 7.728 5.631 2.943 110 HA ILE 16 HA ILE 16 9.657 6.146 4.985 111 HB ILE 16 HB ILE 16 9.133 3.588 3.420 112 1HG1 ILE 16 HG12 ILE 16 7.154 4.279 4.660 113 2HG1 ILE 16 HG11 ILE 16 7.864 2.857 5.413 114 1HG2 ILE 16 HG21 ILE 16 11.348 3.524 4.419 115 2HG2 ILE 16 HG22 ILE 16 10.266 2.403 5.247 116 3HG2 ILE 16 HG23 ILE 16 10.671 3.947 5.991 117 1HD1 ILE 16 HD11 ILE 16 7.103 4.459 7.074 118 2HD1 ILE 16 HD12 ILE 16 8.149 5.698 6.378 119 3HD1 ILE 16 HD13 ILE 16 8.856 4.271 7.140 120 H LEU 17 HN LEU 17 9.764 5.433 1.583 121 HA LEU 17 HA LEU 17 12.622 5.335 1.350 122 1HB LEU 17 HB2 LEU 17 10.463 5.777 -0.714 123 2HB LEU 17 HB1 LEU 17 12.159 5.586 -1.092 124 HG LEU 17 HG LEU 17 10.467 3.483 0.244 125 1HD1 LEU 17 HD11 LEU 17 10.559 2.347 -1.915 126 2HD1 LEU 17 HD12 LEU 17 11.408 3.732 -2.605 127 3HD1 LEU 17 HD13 LEU 17 9.741 3.903 -2.048 128 1HD2 LEU 17 HD21 LEU 17 13.225 3.409 -0.944 129 2HD2 LEU 17 HD22 LEU 17 12.341 2.034 -0.274 130 3HD2 LEU 17 HD23 LEU 17 12.828 3.369 0.773 131 H GLY 18 HN GLY 18 10.139 7.689 0.651 132 1HA GLY 18 HA2 GLY 18 10.651 10.058 1.223 133 2HA GLY 18 HA1 GLY 18 12.226 9.781 0.477 134 H ILE 19 HN ILE 19 9.101 8.629 -0.643 135 HA ILE 19 HA ILE 19 9.174 10.470 -2.865 136 HB ILE 19 HB ILE 19 8.160 8.429 -4.126 137 1HG1 ILE 19 HG12 ILE 19 10.128 7.040 -2.311 138 2HG1 ILE 19 HG11 ILE 19 8.385 6.787 -2.374 139 1HG2 ILE 19 HG21 ILE 19 11.119 8.962 -3.882 140 2HG2 ILE 19 HG22 ILE 19 9.942 9.721 -4.978 141 3HG2 ILE 19 HG23 ILE 19 10.368 8.025 -5.184 142 1HD1 ILE 19 HD11 ILE 19 9.588 5.007 -3.512 143 2HD1 ILE 19 HD12 ILE 19 10.337 6.188 -4.590 144 3HD1 ILE 19 HD13 ILE 19 8.593 5.925 -4.643 145 H ARG 20 HN ARG 20 7.128 10.365 -4.061 146 HA ARG 20 HA ARG 20 4.818 9.232 -2.992 147 1HB ARG 20 HB2 ARG 20 5.164 10.866 -1.169 148 2HB ARG 20 HB1 ARG 20 5.163 12.180 -2.333 149 1HG ARG 20 HG2 ARG 20 2.774 10.384 -2.095 150 2HG ARG 20 HG1 ARG 20 3.037 11.667 -0.916 151 1HD ARG 20 HD2 ARG 20 2.893 12.083 -3.907 152 2HD ARG 20 HD1 ARG 20 1.544 12.322 -2.790 153 HE ARG 20 HE ARG 20 3.600 13.801 -1.772 154 1HH1 ARG 20 HH11 ARG 20 2.002 13.802 -4.964 155 2HH1 ARG 20 HH12 ARG 20 2.021 15.497 -5.081 156 1HH2 ARG 20 HH21 ARG 20 3.645 16.071 -1.991 157 2HH2 ARG 20 HH22 ARG 20 3.003 16.851 -3.361 158 H ASP 21 HN ASP 21 6.159 11.967 -4.749 159 HA ASP 21 HA ASP 21 3.947 12.187 -6.512 160 1HB ASP 21 HB2 ASP 21 5.290 13.682 -7.917 161 2HB ASP 21 HB1 ASP 21 5.479 14.112 -6.225 162 H LEU 22 HN LEU 22 6.949 10.451 -6.826 163 HA LEU 22 HA LEU 22 7.582 8.750 -8.163 164 1HB LEU 22 HB2 LEU 22 4.611 8.429 -8.198 165 2HB LEU 22 HB1 LEU 22 5.585 7.445 -9.267 166 HG LEU 22 HG LEU 22 4.974 6.283 -7.221 167 1HD1 LEU 22 HD11 LEU 22 6.993 5.658 -8.358 168 2HD1 LEU 22 HD12 LEU 22 7.244 5.516 -6.615 169 3HD1 LEU 22 HD13 LEU 22 7.901 6.896 -7.503 170 1HD2 LEU 22 HD21 LEU 22 6.643 8.356 -5.796 171 2HD2 LEU 22 HD22 LEU 22 5.995 6.889 -5.068 172 3HD2 LEU 22 HD23 LEU 22 4.902 8.144 -5.642 173 H ALA 23 HN ALA 23 7.230 11.449 -9.300 174 HA ALA 23 HA ALA 23 6.324 11.029 -11.947 175 1HB ALA 23 HB1 ALA 23 6.025 13.181 -10.840 176 2HB ALA 23 HB2 ALA 23 6.940 13.348 -12.341 177 3HB ALA 23 HB3 ALA 23 7.775 13.393 -10.790 178 H GLY 24 HN GLY 24 9.169 10.430 -10.397 179 1HA GLY 24 HA2 GLY 24 10.446 9.969 -12.988 180 2HA GLY 24 HA1 GLY 24 11.347 10.931 -11.811 181 H ILE 25 HN ILE 25 9.345 8.320 -10.840 182 HA ILE 25 HA ILE 25 11.761 6.760 -10.197 183 HB ILE 25 HB ILE 25 9.024 6.580 -8.869 184 1HG1 ILE 25 HG12 ILE 25 10.025 8.765 -8.386 185 2HG1 ILE 25 HG11 ILE 25 9.969 7.760 -6.946 186 1HG2 ILE 25 HG21 ILE 25 10.165 5.308 -7.108 187 2HG2 ILE 25 HG22 ILE 25 11.673 5.406 -8.018 188 3HG2 ILE 25 HG23 ILE 25 10.303 4.515 -8.679 189 1HD1 ILE 25 HD11 ILE 25 12.400 8.285 -8.652 190 2HD1 ILE 25 HD12 ILE 25 12.354 7.283 -7.200 191 3HD1 ILE 25 HD13 ILE 25 12.041 9.014 -7.084 192 H ASN 26 HN ASN 26 11.486 4.384 -10.508 193 HA ASN 26 HA ASN 26 9.855 3.914 -12.867 194 1HB ASN 26 HB2 ASN 26 12.245 3.141 -12.753 195 2HB ASN 26 HB1 ASN 26 11.785 2.044 -11.464 196 1HD2 ASN 26 HD21 ASN 26 12.929 1.595 -14.119 197 2HD2 ASN 26 HD22 ASN 26 11.887 0.426 -14.884 198 H LEU 27 HN LEU 27 7.978 2.882 -12.826 199 HA LEU 27 HA LEU 27 6.868 2.297 -10.196 200 1HB LEU 27 HB2 LEU 27 5.491 2.310 -12.880 201 2HB LEU 27 HB1 LEU 27 4.731 2.313 -11.305 202 HG LEU 27 HG LEU 27 6.276 4.561 -12.582 203 1HD1 LEU 27 HD11 LEU 27 4.043 4.295 -13.450 204 2HD1 LEU 27 HD12 LEU 27 4.151 5.755 -12.468 205 3HD1 LEU 27 HD13 LEU 27 3.377 4.309 -11.817 206 1HD2 LEU 27 HD21 LEU 27 5.712 5.880 -10.594 207 2HD2 LEU 27 HD22 LEU 27 6.759 4.518 -10.201 208 3HD2 LEU 27 HD23 LEU 27 5.035 4.439 -9.837 209 H ASP 28 HN ASP 28 8.551 0.571 -12.357 210 HA ASP 28 HA ASP 28 7.084 -1.838 -11.605 211 1HB ASP 28 HB2 ASP 28 8.631 -1.281 -14.124 212 2HB ASP 28 HB1 ASP 28 8.296 -2.927 -13.589 213 H SER 29 HN SER 29 9.367 -0.215 -10.389 214 HA SER 29 HA SER 29 11.414 -2.223 -10.218 215 1HB SER 29 HB2 SER 29 10.984 0.327 -8.636 216 2HB SER 29 HB1 SER 29 12.421 -0.688 -8.565 217 HG SER 29 HG SER 29 12.525 -0.347 -10.892 218 H SER 30 HN SER 30 11.474 -3.814 -8.755 219 HA SER 30 HA SER 30 9.229 -4.421 -7.143 220 1HB SER 30 HB2 SER 30 12.042 -5.502 -7.104 221 2HB SER 30 HB1 SER 30 10.705 -6.211 -6.209 222 HG SER 30 HG SER 30 10.060 -5.881 -8.861 223 H LEU 31 HN LEU 31 9.125 -4.517 -4.815 224 HA LEU 31 HA LEU 31 9.911 -2.129 -3.604 225 1HB LEU 31 HB2 LEU 31 7.937 -3.463 -2.959 226 2HB LEU 31 HB1 LEU 31 8.997 -4.689 -2.290 227 HG LEU 31 HG LEU 31 9.776 -3.066 -0.602 228 1HD1 LEU 31 HD11 LEU 31 7.680 -1.324 -1.835 229 2HD1 LEU 31 HD12 LEU 31 9.431 -1.070 -1.909 230 3HD1 LEU 31 HD13 LEU 31 8.583 -0.967 -0.350 231 1HD2 LEU 31 HD21 LEU 31 7.727 -2.978 0.685 232 2HD2 LEU 31 HD22 LEU 31 7.913 -4.540 -0.116 233 3HD2 LEU 31 HD23 LEU 31 6.795 -3.340 -0.766 234 H ALA 32 HN ALA 32 11.319 -5.288 -3.636 235 HA ALA 32 HA ALA 32 13.164 -4.902 -1.574 236 1HB ALA 32 HB1 ALA 32 13.433 -6.698 -3.982 237 2HB ALA 32 HB2 ALA 32 12.640 -7.116 -2.466 238 3HB ALA 32 HB3 ALA 32 14.381 -6.815 -2.499 239 H ASP 33 HN ASP 33 13.170 -4.004 -4.927 240 HA ASP 33 HA ASP 33 15.961 -3.458 -5.135 241 1HB ASP 33 HB2 ASP 33 14.510 -3.991 -7.104 242 2HB ASP 33 HB1 ASP 33 13.669 -2.474 -6.845 243 H LEU 34 HN LEU 34 13.036 -1.710 -4.521 244 HA LEU 34 HA LEU 34 13.886 0.954 -4.518 245 1HB LEU 34 HB2 LEU 34 11.850 -0.238 -2.660 246 2HB LEU 34 HB1 LEU 34 11.935 1.414 -3.226 247 HG LEU 34 HG LEU 34 11.286 -0.987 -4.912 248 1HD1 LEU 34 HD11 LEU 34 9.594 -0.478 -3.327 249 2HD1 LEU 34 HD12 LEU 34 9.048 -0.106 -4.964 250 3HD1 LEU 34 HD13 LEU 34 9.526 1.202 -3.863 251 1HD2 LEU 34 HD21 LEU 34 11.267 1.944 -5.592 252 2HD2 LEU 34 HD22 LEU 34 10.659 0.616 -6.597 253 3HD2 LEU 34 HD23 LEU 34 12.380 0.709 -6.212 254 H GLY 35 HN GLY 35 13.856 -1.462 -1.950 255 1HA GLY 35 HA2 GLY 35 16.111 -0.724 -0.634 256 2HA GLY 35 HA1 GLY 35 14.911 0.393 -0.014 257 H LEU 36 HN LEU 36 13.138 -2.326 -0.585 258 HA LEU 36 HA LEU 36 13.060 -2.974 2.128 259 1HB LEU 36 HB2 LEU 36 11.077 -3.424 1.154 260 2HB LEU 36 HB1 LEU 36 11.731 -4.117 -0.294 261 HG LEU 36 HG LEU 36 12.288 -6.181 1.055 262 1HD1 LEU 36 HD11 LEU 36 10.676 -4.820 3.190 263 2HD1 LEU 36 HD12 LEU 36 12.404 -5.174 3.255 264 3HD1 LEU 36 HD13 LEU 36 11.233 -6.493 3.224 265 1HD2 LEU 36 HD21 LEU 36 9.986 -6.993 1.191 266 2HD2 LEU 36 HD22 LEU 36 10.281 -6.092 -0.296 267 3HD2 LEU 36 HD23 LEU 36 9.397 -5.339 1.030 268 H ASP 37 HN ASP 37 14.561 -3.737 3.167 269 HA ASP 37 HA ASP 37 15.713 -6.311 2.384 270 1HB ASP 37 HB2 ASP 37 17.881 -5.703 3.206 271 2HB ASP 37 HB1 ASP 37 17.384 -4.410 2.130 272 H SER 38 HN SER 38 14.239 -4.252 4.715 273 HA SER 38 HA SER 38 13.709 -6.470 6.448 274 1HB SER 38 HB2 SER 38 15.271 -4.100 7.555 275 2HB SER 38 HB1 SER 38 14.590 -5.412 8.515 276 HG SER 38 HG SER 38 16.058 -6.421 6.550 277 H LEU 39 HN LEU 39 13.759 -2.923 6.958 278 HA LEU 39 HA LEU 39 11.357 -2.856 8.387 279 1HB LEU 39 HB2 LEU 39 13.072 -1.158 8.606 280 2HB LEU 39 HB1 LEU 39 12.785 -0.631 6.959 281 HG LEU 39 HG LEU 39 10.472 0.023 7.640 282 1HD1 LEU 39 HD11 LEU 39 11.483 -0.525 10.422 283 2HD1 LEU 39 HD12 LEU 39 10.207 -1.403 9.573 284 3HD1 LEU 39 HD13 LEU 39 9.970 0.287 10.011 285 1HD2 LEU 39 HD21 LEU 39 12.739 1.330 9.127 286 2HD2 LEU 39 HD22 LEU 39 11.162 2.060 8.805 287 3HD2 LEU 39 HD23 LEU 39 12.243 1.668 7.468 288 H MET 40 HN MET 40 11.945 -2.398 4.963 289 HA MET 40 HA MET 40 9.387 -1.147 4.492 290 1HB MET 40 HB2 MET 40 11.457 -2.122 2.546 291 2HB MET 40 HB1 MET 40 10.060 -1.115 2.156 292 1HG MET 40 HG2 MET 40 10.858 0.650 3.557 293 2HG MET 40 HG1 MET 40 12.176 -0.354 4.141 294 1HE MET 40 HE1 MET 40 14.185 2.244 2.202 295 2HE MET 40 HE2 MET 40 14.047 1.295 3.682 296 3HE MET 40 HE3 MET 40 12.803 2.477 3.273 297 H GLY 41 HN GLY 41 9.950 -4.164 5.211 298 1HA GLY 41 HA2 GLY 41 7.601 -5.023 3.648 299 2HA GLY 41 HA1 GLY 41 8.785 -6.132 4.353 300 H VAL 42 HN VAL 42 9.052 -4.609 6.776 301 HA VAL 42 HA VAL 42 6.957 -5.856 8.268 302 HB VAL 42 HB VAL 42 9.085 -3.910 9.209 303 1HG1 VAL 42 HG11 VAL 42 7.372 -5.833 10.770 304 2HG1 VAL 42 HG12 VAL 42 7.250 -4.071 10.750 305 3HG1 VAL 42 HG13 VAL 42 8.686 -4.846 11.431 306 1HG2 VAL 42 HG21 VAL 42 9.122 -6.928 9.210 307 2HG2 VAL 42 HG22 VAL 42 10.339 -5.888 9.946 308 3HG2 VAL 42 HG23 VAL 42 10.112 -5.876 8.197 309 H GLU 43 HN GLU 43 7.882 -2.519 7.552 310 HA GLU 43 HA GLU 43 5.974 -1.120 8.989 311 1HB GLU 43 HB2 GLU 43 7.868 -0.113 7.752 312 2HB GLU 43 HB1 GLU 43 7.071 -0.503 6.236 313 1HG GLU 43 HG2 GLU 43 6.620 1.801 6.615 314 2HG GLU 43 HG1 GLU 43 5.175 0.880 7.011 315 H VAL 44 HN VAL 44 5.827 -2.510 5.776 316 HA VAL 44 HA VAL 44 3.299 -1.605 4.968 317 HB VAL 44 HB VAL 44 4.639 -4.209 4.213 318 1HG1 VAL 44 HG11 VAL 44 2.332 -4.117 3.526 319 2HG1 VAL 44 HG12 VAL 44 3.410 -3.992 2.125 320 3HG1 VAL 44 HG13 VAL 44 2.605 -2.547 2.757 321 1HG2 VAL 44 HG21 VAL 44 6.157 -2.378 3.891 322 2HG2 VAL 44 HG22 VAL 44 4.940 -1.476 2.981 323 3HG2 VAL 44 HG23 VAL 44 5.606 -2.986 2.337 324 H ARG 45 HN ARG 45 4.308 -4.626 6.486 325 HA ARG 45 HA ARG 45 1.778 -5.786 6.734 326 1HB ARG 45 HB2 ARG 45 4.242 -6.132 8.410 327 2HB ARG 45 HB1 ARG 45 2.820 -7.140 8.591 328 1HG ARG 45 HG2 ARG 45 3.081 -7.792 6.209 329 2HG ARG 45 HG1 ARG 45 4.598 -6.889 6.190 330 1HD ARG 45 HD2 ARG 45 3.921 -9.219 7.969 331 2HD ARG 45 HD1 ARG 45 5.004 -9.245 6.580 332 HE ARG 45 HE ARG 45 5.753 -7.278 8.447 333 1HH1 ARG 45 HH11 ARG 45 5.909 -10.786 7.854 334 2HH1 ARG 45 HH12 ARG 45 7.336 -10.989 8.784 335 1HH2 ARG 45 HH21 ARG 45 7.682 -7.675 9.851 336 2HH2 ARG 45 HH22 ARG 45 8.262 -9.265 9.976 337 H GLN 46 HN GLN 46 3.565 -3.721 8.980 338 HA GLN 46 HA GLN 46 1.783 -3.802 11.126 339 1HB GLN 46 HB2 GLN 46 3.576 -1.551 10.232 340 2HB GLN 46 HB1 GLN 46 2.738 -1.607 11.774 341 1HG GLN 46 HG2 GLN 46 3.971 -3.610 12.385 342 2HG GLN 46 HG1 GLN 46 4.792 -3.581 10.826 343 1HE2 GLN 46 HE21 GLN 46 4.051 -0.694 12.618 344 2HE2 GLN 46 HE22 GLN 46 5.682 -0.307 13.025 345 H ILE 47 HN ILE 47 1.620 -1.995 8.158 346 HA ILE 47 HA ILE 47 -0.478 -0.255 9.057 347 HB ILE 47 HB ILE 47 0.377 -0.911 6.212 348 1HG1 ILE 47 HG12 ILE 47 1.165 1.456 7.910 349 2HG1 ILE 47 HG11 ILE 47 2.183 0.034 7.691 350 1HG2 ILE 47 HG21 ILE 47 -1.853 0.085 6.341 351 2HG2 ILE 47 HG22 ILE 47 -0.711 1.233 5.646 352 3HG2 ILE 47 HG23 ILE 47 -1.224 1.404 7.326 353 1HD1 ILE 47 HD11 ILE 47 2.922 1.825 6.249 354 2HD1 ILE 47 HD12 ILE 47 1.306 1.979 5.554 355 3HD1 ILE 47 HD13 ILE 47 2.260 0.519 5.270 356 H LEU 48 HN LEU 48 -0.273 -2.894 6.732 357 HA LEU 48 HA LEU 48 -3.071 -2.987 6.365 358 1HB LEU 48 HB2 LEU 48 -0.922 -4.881 5.482 359 2HB LEU 48 HB1 LEU 48 -2.611 -5.220 5.194 360 HG LEU 48 HG LEU 48 -1.751 -4.319 3.196 361 1HD1 LEU 48 HD11 LEU 48 -3.942 -3.509 3.735 362 2HD1 LEU 48 HD12 LEU 48 -3.026 -2.273 2.865 363 3HD1 LEU 48 HD13 LEU 48 -3.242 -2.142 4.609 364 1HD2 LEU 48 HD21 LEU 48 -0.660 -2.003 4.787 365 2HD2 LEU 48 HD22 LEU 48 -0.613 -2.149 3.031 366 3HD2 LEU 48 HD23 LEU 48 0.287 -3.287 4.040 367 H GLU 49 HN GLU 49 -1.014 -4.935 8.458 368 HA GLU 49 HA GLU 49 -3.045 -6.755 9.211 369 1HB GLU 49 HB2 GLU 49 -0.599 -5.860 10.733 370 2HB GLU 49 HB1 GLU 49 -1.664 -7.151 11.247 371 1HG GLU 49 HG2 GLU 49 -1.085 -8.396 9.212 372 2HG GLU 49 HG1 GLU 49 0.030 -7.098 8.769 373 H ARG 50 HN ARG 50 -1.804 -3.836 10.803 374 HA ARG 50 HA ARG 50 -3.643 -4.050 12.939 375 1HB ARG 50 HB2 ARG 50 -1.859 -1.799 12.073 376 2HB ARG 50 HB1 ARG 50 -2.948 -1.663 13.448 377 1HG ARG 50 HG2 ARG 50 -1.828 -3.611 14.475 378 2HG ARG 50 HG1 ARG 50 -0.693 -3.635 13.123 379 1HD ARG 50 HD2 ARG 50 0.134 -1.466 13.693 380 2HD ARG 50 HD1 ARG 50 -1.127 -1.247 14.906 381 HE ARG 50 HE ARG 50 0.564 -3.527 15.295 382 1HH1 ARG 50 HH11 ARG 50 0.260 -0.041 15.932 383 2HH1 ARG 50 HH12 ARG 50 1.054 -0.068 17.424 384 1HH2 ARG 50 HH21 ARG 50 1.649 -3.594 17.409 385 2HH2 ARG 50 HH22 ARG 50 1.913 -2.150 18.267 386 H GLU 51 HN GLU 51 -3.798 -2.351 9.897 387 HA GLU 51 HA GLU 51 -6.163 -0.961 10.734 388 1HB GLU 51 HB2 GLU 51 -4.838 -1.159 8.049 389 2HB GLU 51 HB1 GLU 51 -6.277 -0.206 8.367 390 1HG GLU 51 HG2 GLU 51 -3.553 0.189 9.580 391 2HG GLU 51 HG1 GLU 51 -4.333 1.204 8.366 392 H HIS 52 HN HIS 52 -5.555 -3.503 8.260 393 HA HIS 52 HA HIS 52 -8.444 -3.986 8.430 394 1HB HIS 52 HB2 HIS 52 -6.774 -3.675 5.981 395 2HB HIS 52 HB1 HIS 52 -8.204 -4.687 5.923 396 HD1 HIS 52 HD1 HIS 52 -8.259 -2.303 4.137 397 HD2 HIS 52 HD2 HIS 52 -9.537 -2.127 8.090 398 HE1 HIS 52 HE1 HIS 52 -9.777 -0.315 4.279 399 HE2 HIS 52 HE2 HIS 52 -10.630 -0.288 6.630 400 H ASP 53 HN ASP 53 -5.874 -5.476 9.466 401 HA ASP 53 HA ASP 53 -5.463 -7.606 10.070 402 1HB ASP 53 HB2 ASP 53 -7.798 -7.833 10.612 403 2HB ASP 53 HB1 ASP 53 -8.244 -8.008 8.931 404 H LEU 54 HN LEU 54 -5.081 -6.560 7.163 405 HA LEU 54 HA LEU 54 -4.764 -9.062 5.746 406 1HB LEU 54 HB2 LEU 54 -4.316 -6.217 4.937 407 2HB LEU 54 HB1 LEU 54 -3.551 -7.493 4.025 408 HG LEU 54 HG LEU 54 -5.847 -8.423 3.576 409 1HD1 LEU 54 HD11 LEU 54 -7.053 -7.396 5.404 410 2HD1 LEU 54 HD12 LEU 54 -7.758 -6.964 3.845 411 3HD1 LEU 54 HD13 LEU 54 -6.756 -5.800 4.715 412 1HD2 LEU 54 HD21 LEU 54 -4.652 -7.125 1.921 413 2HD2 LEU 54 HD22 LEU 54 -5.268 -5.630 2.624 414 3HD2 LEU 54 HD23 LEU 54 -6.380 -6.769 1.862 415 H VAL 55 HN VAL 55 -3.254 -10.239 6.782 416 HA VAL 55 HA VAL 55 -0.618 -9.154 7.205 417 HB VAL 55 HB VAL 55 -1.490 -12.071 7.201 418 1HG1 VAL 55 HG11 VAL 55 1.057 -10.793 8.241 419 2HG1 VAL 55 HG12 VAL 55 0.919 -11.829 6.829 420 3HG1 VAL 55 HG13 VAL 55 0.619 -12.491 8.426 421 1HG2 VAL 55 HG21 VAL 55 -2.649 -10.799 8.946 422 2HG2 VAL 55 HG22 VAL 55 -1.100 -10.193 9.540 423 3HG2 VAL 55 HG23 VAL 55 -1.474 -11.912 9.647 424 H LEU 56 HN LEU 56 0.174 -8.480 5.360 425 HA LEU 56 HA LEU 56 0.272 -10.341 3.110 426 1HB LEU 56 HB2 LEU 56 1.111 -7.436 3.178 427 2HB LEU 56 HB1 LEU 56 0.933 -8.445 1.770 428 HG LEU 56 HG LEU 56 -1.332 -7.475 3.512 429 1HD1 LEU 56 HD11 LEU 56 -0.360 -5.703 2.175 430 2HD1 LEU 56 HD12 LEU 56 -1.954 -6.143 1.562 431 3HD1 LEU 56 HD13 LEU 56 -0.502 -6.695 0.727 432 1HD2 LEU 56 HD21 LEU 56 -2.792 -8.433 1.797 433 2HD2 LEU 56 HD22 LEU 56 -1.813 -9.674 2.573 434 3HD2 LEU 56 HD23 LEU 56 -1.385 -9.095 0.964 435 HA PRO 57 HA PRO 57 4.328 -11.041 4.927 436 1HB PRO 57 HB2 PRO 57 4.490 -13.180 2.926 437 2HB PRO 57 HB1 PRO 57 4.516 -13.303 4.688 438 1HG PRO 57 HG2 PRO 57 2.411 -14.153 3.256 439 2HG PRO 57 HG1 PRO 57 2.206 -13.384 4.846 440 1HD PRO 57 HD2 PRO 57 1.907 -12.186 2.113 441 2HD PRO 57 HD1 PRO 57 0.831 -12.048 3.524 442 H ILE 58 HN ILE 58 6.521 -11.165 4.070 443 HA ILE 58 HA ILE 58 6.981 -9.229 2.070 444 HB ILE 58 HB ILE 58 8.876 -11.134 3.498 445 1HG1 ILE 58 HG12 ILE 58 9.844 -8.997 4.418 446 2HG1 ILE 58 HG11 ILE 58 8.546 -8.126 3.624 447 1HG2 ILE 58 HG21 ILE 58 10.798 -9.987 2.506 448 2HG2 ILE 58 HG22 ILE 58 9.709 -9.085 1.452 449 3HG2 ILE 58 HG23 ILE 58 9.833 -10.837 1.298 450 1HD1 ILE 58 HD11 ILE 58 8.245 -10.163 5.818 451 2HD1 ILE 58 HD12 ILE 58 6.922 -9.313 5.025 452 3HD1 ILE 58 HD13 ILE 58 8.099 -8.413 5.983 453 H ARG 59 HN ARG 59 6.635 -12.609 2.047 454 HA ARG 59 HA ARG 59 7.684 -13.429 -0.396 455 1HB ARG 59 HB2 ARG 59 5.156 -14.283 0.999 456 2HB ARG 59 HB1 ARG 59 5.650 -14.990 -0.521 457 1HG ARG 59 HG2 ARG 59 6.295 -16.489 1.165 458 2HG ARG 59 HG1 ARG 59 7.767 -15.706 0.620 459 1HD ARG 59 HD2 ARG 59 7.754 -14.282 2.616 460 2HD ARG 59 HD1 ARG 59 6.233 -15.005 3.136 461 HE ARG 59 HE ARG 59 7.783 -17.163 2.802 462 1HH1 ARG 59 HH11 ARG 59 8.403 -14.206 4.690 463 2HH1 ARG 59 HH12 ARG 59 9.444 -15.023 5.778 464 1HH2 ARG 59 HH21 ARG 59 9.145 -18.206 4.368 465 2HH2 ARG 59 HH22 ARG 59 9.792 -17.305 5.643 466 H GLU 60 HN GLU 60 4.808 -11.518 0.212 467 HA GLU 60 HA GLU 60 4.194 -11.456 -2.666 468 1HB GLU 60 HB2 GLU 60 2.516 -10.735 -0.255 469 2HB GLU 60 HB1 GLU 60 1.978 -10.532 -1.911 470 1HG GLU 60 HG2 GLU 60 2.163 -12.953 -2.254 471 2HG GLU 60 HG1 GLU 60 2.694 -13.145 -0.588 472 H VAL 61 HN VAL 61 4.555 -9.405 0.182 473 HA VAL 61 HA VAL 61 4.171 -6.917 -0.975 474 HB VAL 61 HB VAL 61 5.772 -7.704 1.477 475 1HG1 VAL 61 HG11 VAL 61 6.493 -5.492 0.722 476 2HG1 VAL 61 HG12 VAL 61 5.553 -5.390 2.210 477 3HG1 VAL 61 HG13 VAL 61 4.811 -4.966 0.667 478 1HG2 VAL 61 HG21 VAL 61 3.434 -8.279 1.557 479 2HG2 VAL 61 HG22 VAL 61 2.995 -6.625 1.122 480 3HG2 VAL 61 HG23 VAL 61 3.785 -6.953 2.665 481 H ARG 62 HN ARG 62 7.063 -8.864 -0.974 482 HA ARG 62 HA ARG 62 8.984 -6.861 -1.446 483 1HB ARG 62 HB2 ARG 62 9.277 -9.273 -0.728 484 2HB ARG 62 HB1 ARG 62 9.097 -9.700 -2.416 485 1HG ARG 62 HG2 ARG 62 11.076 -8.502 -2.978 486 2HG ARG 62 HG1 ARG 62 11.225 -7.892 -1.323 487 1HD ARG 62 HD2 ARG 62 11.354 -10.261 -0.536 488 2HD ARG 62 HD1 ARG 62 11.327 -10.787 -2.215 489 HE ARG 62 HE ARG 62 13.447 -8.999 -1.309 490 1HH1 ARG 62 HH11 ARG 62 12.476 -12.296 -2.164 491 2HH1 ARG 62 HH12 ARG 62 14.032 -12.832 -2.581 492 1HH2 ARG 62 HH21 ARG 62 15.641 -9.724 -1.781 493 2HH2 ARG 62 HH22 ARG 62 15.906 -11.326 -2.290 494 H GLN 63 HN GLN 63 6.559 -8.054 -3.499 495 HA GLN 63 HA GLN 63 7.997 -7.313 -5.938 496 1HB GLN 63 HB2 GLN 63 5.548 -9.032 -5.531 497 2HB GLN 63 HB1 GLN 63 6.026 -8.437 -7.110 498 1HG GLN 63 HG2 GLN 63 6.808 -10.658 -6.942 499 2HG GLN 63 HG1 GLN 63 8.208 -9.611 -6.791 500 1HE2 GLN 63 HE21 GLN 63 5.931 -10.241 -4.202 501 2HE2 GLN 63 HE22 GLN 63 7.019 -11.172 -3.239 502 H LEU 64 HN LEU 64 6.178 -5.847 -3.753 503 HA LEU 64 HA LEU 64 4.283 -4.598 -5.496 504 1HB LEU 64 HB2 LEU 64 5.161 -3.770 -2.726 505 2HB LEU 64 HB1 LEU 64 3.799 -3.093 -3.597 506 HG LEU 64 HG LEU 64 4.064 -5.916 -2.595 507 1HD1 LEU 64 HD11 LEU 64 2.272 -3.664 -1.716 508 2HD1 LEU 64 HD12 LEU 64 3.638 -4.331 -0.823 509 3HD1 LEU 64 HD13 LEU 64 2.206 -5.320 -1.115 510 1HD2 LEU 64 HD21 LEU 64 2.819 -5.893 -4.686 511 2HD2 LEU 64 HD22 LEU 64 1.778 -4.610 -4.072 512 3HD2 LEU 64 HD23 LEU 64 1.734 -6.211 -3.330 513 H THR 65 HN THR 65 4.853 -3.246 -7.017 514 HA THR 65 HA THR 65 7.449 -2.091 -7.165 515 HB THR 65 HB THR 65 6.536 -1.429 -9.417 516 HG1 THR 65 HG1 THR 65 4.390 -1.409 -9.356 517 1HG2 THR 65 HG21 THR 65 7.744 -3.535 -9.032 518 2HG2 THR 65 HG22 THR 65 6.432 -3.749 -10.210 519 3HG2 THR 65 HG23 THR 65 6.221 -4.277 -8.533 520 H LEU 66 HN LEU 66 6.210 -0.915 -5.121 521 HA LEU 66 HA LEU 66 5.791 1.003 -4.082 522 1HB LEU 66 HB2 LEU 66 7.827 1.653 -5.530 523 2HB LEU 66 HB1 LEU 66 6.684 2.529 -6.522 524 HG LEU 66 HG LEU 66 7.887 3.985 -4.913 525 1HD1 LEU 66 HD11 LEU 66 5.703 4.670 -5.667 526 2HD1 LEU 66 HD12 LEU 66 5.942 5.140 -3.977 527 3HD1 LEU 66 HD13 LEU 66 4.945 3.735 -4.383 528 1HD2 LEU 66 HD21 LEU 66 6.451 2.354 -2.830 529 2HD2 LEU 66 HD22 LEU 66 7.371 3.826 -2.527 530 3HD2 LEU 66 HD23 LEU 66 8.190 2.382 -3.124 531 H ARG 67 HN ARG 67 4.727 1.657 -7.437 532 HA ARG 67 HA ARG 67 2.420 2.925 -6.284 533 1HB ARG 67 HB2 ARG 67 3.367 2.686 -9.112 534 2HB ARG 67 HB1 ARG 67 1.694 3.126 -8.792 535 1HG ARG 67 HG2 ARG 67 4.102 4.596 -7.725 536 2HG ARG 67 HG1 ARG 67 3.129 5.100 -9.112 537 1HD ARG 67 HD2 ARG 67 1.142 5.191 -7.638 538 2HD ARG 67 HD1 ARG 67 2.151 4.722 -6.295 539 HE ARG 67 HE ARG 67 3.200 6.813 -6.307 540 1HH1 ARG 67 HH11 ARG 67 0.668 6.724 -8.803 541 2HH1 ARG 67 HH12 ARG 67 0.339 8.383 -8.710 542 1HH2 ARG 67 HH21 ARG 67 2.690 9.178 -6.199 543 2HH2 ARG 67 HH22 ARG 67 1.505 9.770 -7.245 544 H LYS 68 HN LYS 68 3.223 -0.149 -7.019 545 HA LYS 68 HA LYS 68 0.580 -1.144 -7.496 546 1HB LYS 68 HB2 LYS 68 2.826 -2.364 -7.923 547 2HB LYS 68 HB1 LYS 68 2.810 -2.698 -6.198 548 1HG LYS 68 HG2 LYS 68 0.681 -3.882 -6.442 549 2HG LYS 68 HG1 LYS 68 0.715 -3.562 -8.176 550 1HD LYS 68 HD2 LYS 68 2.745 -5.141 -6.615 551 2HD LYS 68 HD1 LYS 68 1.501 -5.836 -7.656 552 1HE LYS 68 HE2 LYS 68 3.817 -4.080 -8.504 553 2HE LYS 68 HE1 LYS 68 3.670 -5.804 -8.782 554 1HZ LYS 68 HZ1 LYS 68 1.887 -3.715 -9.969 555 2HZ LYS 68 HZ2 LYS 68 1.781 -5.375 -10.226 556 3HZ LYS 68 HZ3 LYS 68 3.145 -4.521 -10.745 557 H LEU 69 HN LEU 69 2.362 -0.023 -4.838 558 HA LEU 69 HA LEU 69 1.053 -1.254 -2.669 559 1HB LEU 69 HB2 LEU 69 2.447 1.391 -2.918 560 2HB LEU 69 HB1 LEU 69 1.490 1.070 -1.497 561 HG LEU 69 HG LEU 69 3.823 0.697 -1.045 562 1HD1 LEU 69 HD11 LEU 69 2.261 -0.664 0.146 563 2HD1 LEU 69 HD12 LEU 69 3.748 -1.555 -0.161 564 3HD1 LEU 69 HD13 LEU 69 2.307 -1.884 -1.127 565 1HD2 LEU 69 HD21 LEU 69 5.100 -1.090 -2.108 566 2HD2 LEU 69 HD22 LEU 69 4.612 0.141 -3.280 567 3HD2 LEU 69 HD23 LEU 69 3.755 -1.397 -3.205 568 H GLN 70 HN GLN 70 0.128 1.562 -4.595 569 HA GLN 70 HA GLN 70 -2.187 1.980 -2.934 570 1HB GLN 70 HB2 GLN 70 -2.783 3.784 -4.577 571 2HB GLN 70 HB1 GLN 70 -1.264 3.988 -3.731 572 1HG GLN 70 HG2 GLN 70 -0.025 3.410 -5.615 573 2HG GLN 70 HG1 GLN 70 -1.468 2.870 -6.514 574 1HE2 GLN 70 HE21 GLN 70 -1.155 4.300 -8.183 575 2HE2 GLN 70 HE22 GLN 70 -1.367 6.009 -7.963 576 H GLU 71 HN GLU 71 -1.614 -0.286 -5.066 577 HA GLU 71 HA GLU 71 -4.378 -0.380 -6.075 578 1HB GLU 71 HB2 GLU 71 -2.340 -0.760 -7.620 579 2HB GLU 71 HB1 GLU 71 -2.078 -2.242 -6.723 580 1HG GLU 71 HG2 GLU 71 -3.207 -2.745 -8.764 581 2HG GLU 71 HG1 GLU 71 -4.320 -3.016 -7.426 582 H MET 72 HN MET 72 -2.095 -1.642 -3.894 583 HA MET 72 HA MET 72 -3.924 -3.733 -2.959 584 1HB MET 72 HB2 MET 72 -0.930 -3.408 -2.625 585 2HB MET 72 HB1 MET 72 -1.883 -4.655 -1.843 586 1HG MET 72 HG2 MET 72 -1.510 -4.315 -4.814 587 2HG MET 72 HG1 MET 72 -0.699 -5.497 -3.795 588 1HE MET 72 HE1 MET 72 -3.141 -7.746 -5.856 589 2HE MET 72 HE2 MET 72 -1.470 -7.484 -5.358 590 3HE MET 72 HE3 MET 72 -2.265 -6.322 -6.419 591 H SER 73 HN SER 73 -3.840 -0.740 -2.453 592 HA SER 73 HA SER 73 -2.860 -0.542 0.211 593 1HB SER 73 HB2 SER 73 -3.712 1.842 0.063 594 2HB SER 73 HB1 SER 73 -2.463 1.378 -1.082 595 HG SER 73 HG SER 73 -4.123 2.572 -1.993 596 H SER 74 HN SER 74 -5.486 -1.903 -0.908 597 HA SER 74 HA SER 74 -7.356 -2.755 0.077 598 1HB SER 74 HB2 SER 74 -5.720 -3.042 1.996 599 2HB SER 74 HB1 SER 74 -6.269 -1.499 2.631 600 HG SER 74 HG SER 74 -7.951 -3.729 2.142 601 H LYS 75 HN LYS 75 -7.328 -0.139 -1.135 602 HA LYS 75 HA LYS 75 -9.137 1.491 0.433 603 1HB LYS 75 HB2 LYS 75 -7.869 1.893 -2.278 604 2HB LYS 75 HB1 LYS 75 -8.952 3.053 -1.510 605 1HG LYS 75 HG2 LYS 75 -6.378 2.099 -0.292 606 2HG LYS 75 HG1 LYS 75 -6.529 3.562 -1.270 607 1HD LYS 75 HD2 LYS 75 -8.021 4.544 0.299 608 2HD LYS 75 HD1 LYS 75 -8.189 3.025 1.176 609 1HE LYS 75 HE2 LYS 75 -5.594 4.513 0.902 610 2HE LYS 75 HE1 LYS 75 -6.710 4.735 2.249 611 1HZ LYS 75 HZ1 LYS 75 -6.505 2.396 2.752 612 2HZ LYS 75 HZ2 LYS 75 -4.987 3.118 2.836 613 3HZ LYS 75 HZ3 LYS 75 -5.404 2.141 1.526 614 H ALA 76 HN ALA 76 -11.096 0.687 0.478 615 HA ALA 76 HA ALA 76 -12.287 -0.639 -1.760 616 1HB ALA 76 HB1 ALA 76 -13.581 0.414 0.768 617 2HB ALA 76 HB2 ALA 76 -12.953 -1.218 0.535 618 3HB ALA 76 HB3 ALA 76 -14.340 -0.663 -0.405 619 H GLY 77 HN GLY 77 -13.000 2.412 -0.075 620 1HA GLY 77 HA2 GLY 77 -13.507 4.453 -0.999 621 2HA GLY 77 HA1 GLY 77 -13.424 3.725 -2.603 622 H SER 78 HN SER 78 -15.404 5.323 -2.424 623 HA SER 78 HA SER 78 -17.698 3.631 -2.567 624 1HB SER 78 HB2 SER 78 -17.681 5.944 -0.590 625 2HB SER 78 HB1 SER 78 -19.101 5.003 -1.045 626 HG SER 78 HG SER 78 -17.069 3.412 -0.277 627 H ASP 79 HN ASP 79 -17.849 4.176 -4.665 628 HA ASP 79 HA ASP 79 -17.448 6.809 -5.645 629 1HB ASP 79 HB2 ASP 79 -17.160 4.809 -7.068 630 2HB ASP 79 HB1 ASP 79 -18.896 4.511 -6.981 631 H THR 80 HN THR 80 -18.850 8.444 -5.970 632 HA THR 80 HA THR 80 -21.614 7.950 -5.107 633 HB THR 80 HB THR 80 -20.143 10.558 -4.667 634 HG1 THR 80 HG1 THR 80 -19.593 8.169 -3.543 635 1HG2 THR 80 HG21 THR 80 -21.774 10.786 -2.833 636 2HG2 THR 80 HG22 THR 80 -22.433 9.195 -3.215 637 3HG2 THR 80 HG23 THR 80 -22.606 10.518 -4.368 638 H GLU 81 HN GLU 81 -20.368 7.984 -7.839 639 HA GLU 81 HA GLU 81 -21.334 10.473 -8.921 640 1HB GLU 81 HB2 GLU 81 -19.198 9.480 -9.727 641 2HB GLU 81 HB1 GLU 81 -20.095 8.096 -10.329 642 1HG GLU 81 HG2 GLU 81 -19.506 9.729 -12.072 643 2HG GLU 81 HG1 GLU 81 -21.248 9.473 -11.922 644 H LEU 82 HN LEU 82 -23.011 10.625 -10.323 645 HA LEU 82 HA LEU 82 -25.057 10.301 -11.158 646 1HB LEU 82 HB2 LEU 82 -24.061 8.382 -12.341 647 2HB LEU 82 HB1 LEU 82 -24.431 7.349 -10.976 648 HG LEU 82 HG LEU 82 -26.849 7.793 -11.374 649 1HD1 LEU 82 HD11 LEU 82 -25.838 9.101 -13.889 650 2HD1 LEU 82 HD12 LEU 82 -26.654 9.903 -12.546 651 3HD1 LEU 82 HD13 LEU 82 -27.522 8.724 -13.528 652 1HD2 LEU 82 HD21 LEU 82 -27.015 6.324 -13.321 653 2HD2 LEU 82 HD22 LEU 82 -25.786 5.765 -12.187 654 3HD2 LEU 82 HD23 LEU 82 -25.308 6.593 -13.669 655 H ALA 83 HN ALA 83 -26.651 10.926 -9.937 656 HA ALA 83 HA ALA 83 -27.116 9.687 -7.350 657 1HB ALA 83 HB1 ALA 83 -28.353 12.139 -8.605 658 2HB ALA 83 HB2 ALA 83 -26.975 12.132 -7.504 659 3HB ALA 83 HB3 ALA 83 -28.560 11.611 -6.937 660 H ALA 84 HN ALA 84 -27.824 8.439 -9.927 661 HA ALA 84 HA ALA 84 -30.725 8.274 -9.810 662 1HB ALA 84 HB1 ALA 84 -28.748 6.821 -11.591 663 2HB ALA 84 HB2 ALA 84 -29.652 8.268 -12.029 664 3HB ALA 84 HB3 ALA 84 -30.506 6.750 -11.736 665 HA PRO 85 HA PRO 85 -30.155 4.869 -7.012 666 1HB PRO 85 HB2 PRO 85 -32.709 4.507 -6.340 667 2HB PRO 85 HB1 PRO 85 -31.838 5.964 -5.843 668 1HG PRO 85 HG2 PRO 85 -33.827 5.598 -8.037 669 2HG PRO 85 HG1 PRO 85 -33.606 6.968 -6.939 670 1HD PRO 85 HD2 PRO 85 -32.649 6.816 -9.550 671 2HD PRO 85 HD1 PRO 85 -32.078 7.945 -8.309 672 H LYS 86 HN LYS 86 -31.076 2.664 -6.738 673 HA LYS 86 HA LYS 86 -31.453 1.385 -9.314 674 1HB LYS 86 HB2 LYS 86 -31.208 0.174 -6.545 675 2HB LYS 86 HB1 LYS 86 -31.117 -0.696 -8.071 676 1HG LYS 86 HG2 LYS 86 -29.048 0.445 -8.627 677 2HG LYS 86 HG1 LYS 86 -29.152 1.390 -7.142 678 1HD LYS 86 HD2 LYS 86 -29.081 -0.744 -5.861 679 2HD LYS 86 HD1 LYS 86 -28.818 -1.597 -7.384 680 1HE LYS 86 HE2 LYS 86 -26.765 -0.332 -7.749 681 2HE LYS 86 HE1 LYS 86 -27.037 0.558 -6.252 682 1HZ LYS 86 HZ1 LYS 86 -25.460 -1.224 -5.869 683 2HZ LYS 86 HZ2 LYS 86 -26.549 -2.355 -6.506 684 3HZ LYS 86 HZ3 LYS 86 -26.910 -1.567 -5.061 685 H SER 87 HN SER 87 -33.468 1.744 -9.904 686 HA SER 87 HA SER 87 -35.584 1.643 -7.917 687 1HB SER 87 HB2 SER 87 -35.505 3.608 -9.415 688 2HB SER 87 HB1 SER 87 -35.679 2.552 -10.809 689 HG SER 87 HG SER 87 -37.585 2.660 -8.709 690 H LYS 88 HN LYS 88 -35.422 0.517 -11.324 691 HA LYS 88 HA LYS 88 -36.662 -1.889 -10.266 692 1HB LYS 88 HB2 LYS 88 -37.839 -2.192 -12.449 693 2HB LYS 88 HB1 LYS 88 -38.352 -0.789 -11.531 694 1HG LYS 88 HG2 LYS 88 -36.995 0.641 -13.006 695 2HG LYS 88 HG1 LYS 88 -36.532 -0.787 -13.934 696 1HD LYS 88 HD2 LYS 88 -38.911 -1.193 -14.438 697 2HD LYS 88 HD1 LYS 88 -39.329 0.284 -13.567 698 1HE LYS 88 HE2 LYS 88 -37.935 1.572 -15.133 699 2HE LYS 88 HE1 LYS 88 -37.575 0.090 -16.013 700 1HZ LYS 88 HZ1 LYS 88 -39.308 1.264 -17.120 701 2HZ LYS 88 HZ2 LYS 88 -40.204 1.395 -15.689 702 3HZ LYS 88 HZ3 LYS 88 -40.004 -0.123 -16.418 703 H ASN 89 HN ASN 89 -34.583 -2.620 -9.894 704 HA ASN 89 HA ASN 89 -33.557 -4.064 -12.181 705 1HB ASN 89 HB2 ASN 89 -31.939 -2.208 -10.476 706 2HB ASN 89 HB1 ASN 89 -31.186 -3.700 -11.033 707 1HD2 ASN 89 HD21 ASN 89 -30.510 -0.945 -11.760 708 2HD2 ASN 89 HD22 ASN 89 -30.708 -0.883 -13.471 Start of MODEL 26 1 1H GLY 1 HT1 GLY 1 -13.032 10.163 10.024 2 2H GLY 1 HT2 GLY 1 -12.389 10.179 11.602 3 3H GLY 1 HT3 GLY 1 -11.416 9.701 10.341 4 1HA GLY 1 HA1 GLY 1 -11.600 11.993 9.434 5 2HA GLY 1 HA2 GLY 1 -12.546 12.396 10.865 6 H ASP 2 HN ASP 2 -10.446 13.894 10.575 7 HA ASP 2 HA ASP 2 -8.614 14.732 11.606 8 1HB ASP 2 HB2 ASP 2 -9.302 13.911 13.783 9 2HB ASP 2 HB1 ASP 2 -8.804 12.273 13.382 10 H GLY 3 HN GLY 3 -8.040 11.272 11.601 11 1HA GLY 3 HA2 GLY 3 -5.865 11.717 9.679 12 2HA GLY 3 HA1 GLY 3 -5.712 10.575 11.023 13 H GLU 4 HN GLU 4 -5.504 9.623 8.419 14 HA GLU 4 HA GLU 4 -8.153 8.495 8.020 15 1HB GLU 4 HB2 GLU 4 -7.035 9.585 6.088 16 2HB GLU 4 HB1 GLU 4 -5.767 8.370 6.181 17 1HG GLU 4 HG2 GLU 4 -7.399 7.858 4.446 18 2HG GLU 4 HG1 GLU 4 -7.370 6.624 5.702 19 H ALA 5 HN ALA 5 -8.578 6.498 8.496 20 HA ALA 5 HA ALA 5 -6.600 4.826 9.706 21 1HB ALA 5 HB1 ALA 5 -8.463 3.225 9.954 22 2HB ALA 5 HB2 ALA 5 -9.483 4.267 8.964 23 3HB ALA 5 HB3 ALA 5 -8.917 4.827 10.536 24 H GLN 6 HN GLN 6 -5.160 4.116 8.370 25 HA GLN 6 HA GLN 6 -4.111 3.020 6.778 26 1HB GLN 6 HB2 GLN 6 -5.671 1.189 7.125 27 2HB GLN 6 HB1 GLN 6 -6.827 1.941 6.041 28 1HG GLN 6 HG2 GLN 6 -5.432 1.530 4.164 29 2HG GLN 6 HG1 GLN 6 -4.106 1.000 5.203 30 1HE2 GLN 6 HE21 GLN 6 -4.071 -0.978 4.120 31 2HE2 GLN 6 HE22 GLN 6 -5.285 -2.166 4.403 32 H ARG 7 HN ARG 7 -3.283 4.529 5.733 33 HA ARG 7 HA ARG 7 -4.624 6.169 3.771 34 1HB ARG 7 HB2 ARG 7 -2.493 7.271 3.608 35 2HB ARG 7 HB1 ARG 7 -2.780 6.941 5.316 36 1HG ARG 7 HG2 ARG 7 -1.378 4.882 5.064 37 2HG ARG 7 HG1 ARG 7 -0.969 5.428 3.443 38 1HD ARG 7 HD2 ARG 7 0.809 6.175 4.714 39 2HD ARG 7 HD1 ARG 7 -0.228 7.595 4.614 40 HE ARG 7 HE ARG 7 -1.016 6.288 6.880 41 1HH1 ARG 7 HH11 ARG 7 1.902 7.868 5.653 42 2HH1 ARG 7 HH12 ARG 7 2.597 8.145 7.180 43 1HH2 ARG 7 HH21 ARG 7 -0.008 6.577 9.047 44 2HH2 ARG 7 HH22 ARG 7 1.549 7.288 9.123 45 H ASP 8 HN ASP 8 -3.095 6.386 1.648 46 HA ASP 8 HA ASP 8 -3.136 3.905 0.220 47 1HB ASP 8 HB2 ASP 8 -1.461 6.334 -0.485 48 2HB ASP 8 HB1 ASP 8 -2.105 5.115 -1.577 49 H LEU 9 HN LEU 9 -1.401 2.451 0.019 50 HA LEU 9 HA LEU 9 0.529 2.523 2.052 51 1HB LEU 9 HB2 LEU 9 0.587 0.877 -0.468 52 2HB LEU 9 HB1 LEU 9 1.606 0.622 0.929 53 HG LEU 9 HG LEU 9 -1.380 0.270 0.792 54 1HD1 LEU 9 HD11 LEU 9 0.865 -1.697 1.195 55 2HD1 LEU 9 HD12 LEU 9 -0.125 -1.519 -0.254 56 3HD1 LEU 9 HD13 LEU 9 -0.857 -2.070 1.254 57 1HD2 LEU 9 HD21 LEU 9 -1.217 -0.504 3.103 58 2HD2 LEU 9 HD22 LEU 9 -0.738 1.192 2.942 59 3HD2 LEU 9 HD23 LEU 9 0.491 -0.057 3.128 60 H VAL 10 HN VAL 10 0.603 3.833 -1.107 61 HA VAL 10 HA VAL 10 3.387 4.171 -1.332 62 HB VAL 10 HB VAL 10 1.082 5.675 -2.616 63 1HG1 VAL 10 HG11 VAL 10 4.020 5.853 -3.319 64 2HG1 VAL 10 HG12 VAL 10 3.059 7.147 -2.603 65 3HG1 VAL 10 HG13 VAL 10 2.693 6.572 -4.232 66 1HG2 VAL 10 HG21 VAL 10 1.276 3.354 -3.190 67 2HG2 VAL 10 HG22 VAL 10 2.973 3.574 -3.624 68 3HG2 VAL 10 HG23 VAL 10 1.710 4.367 -4.566 69 H LYS 11 HN LYS 11 0.974 5.871 0.495 70 HA LYS 11 HA LYS 11 2.561 8.268 0.858 71 1HB LYS 11 HB2 LYS 11 0.094 7.414 2.392 72 2HB LYS 11 HB1 LYS 11 0.763 9.032 2.225 73 1HG LYS 11 HG2 LYS 11 -0.429 7.428 -0.027 74 2HG LYS 11 HG1 LYS 11 -1.279 8.669 0.884 75 1HD LYS 11 HD2 LYS 11 0.267 10.353 0.092 76 2HD LYS 11 HD1 LYS 11 1.230 9.122 -0.730 77 1HE LYS 11 HE2 LYS 11 -0.255 10.355 -2.280 78 2HE LYS 11 HE1 LYS 11 -0.612 8.632 -2.232 79 1HZ LYS 11 HZ1 LYS 11 -2.590 10.117 -2.203 80 2HZ LYS 11 HZ2 LYS 11 -2.134 10.639 -0.645 81 3HZ LYS 11 HZ3 LYS 11 -2.538 9.027 -0.930 82 H ALA 12 HN ALA 12 3.042 5.320 1.845 83 HA ALA 12 HA ALA 12 4.239 6.122 4.391 84 1HB ALA 12 HB1 ALA 12 2.922 3.460 3.803 85 2HB ALA 12 HB2 ALA 12 2.283 4.718 4.865 86 3HB ALA 12 HB3 ALA 12 3.772 3.881 5.293 87 H VAL 13 HN VAL 13 4.210 3.564 1.907 88 HA VAL 13 HA VAL 13 6.857 2.717 2.350 89 HB VAL 13 HB VAL 13 5.068 2.348 -0.069 90 1HG1 VAL 13 HG11 VAL 13 6.541 0.500 -0.680 91 2HG1 VAL 13 HG12 VAL 13 7.618 0.905 0.658 92 3HG1 VAL 13 HG13 VAL 13 7.409 2.037 -0.682 93 1HG2 VAL 13 HG21 VAL 13 5.688 0.547 2.262 94 2HG2 VAL 13 HG22 VAL 13 4.677 0.124 0.877 95 3HG2 VAL 13 HG23 VAL 13 4.172 1.403 1.985 96 H ALA 14 HN ALA 14 5.499 4.825 -0.210 97 HA ALA 14 HA ALA 14 8.076 5.328 -1.306 98 1HB ALA 14 HB1 ALA 14 6.950 7.064 -2.660 99 2HB ALA 14 HB2 ALA 14 5.507 6.903 -1.656 100 3HB ALA 14 HB3 ALA 14 6.010 5.568 -2.670 101 H HIS 15 HN HIS 15 6.156 6.598 1.190 102 HA HIS 15 HA HIS 15 7.324 9.132 1.622 103 1HB HIS 15 HB2 HIS 15 5.152 8.190 2.596 104 2HB HIS 15 HB1 HIS 15 6.144 7.305 3.735 105 HD1 HIS 15 HD1 HIS 15 4.355 10.378 3.298 106 HD2 HIS 15 HD2 HIS 15 7.680 9.203 5.486 107 HE1 HIS 15 HE1 HIS 15 4.617 12.102 5.098 108 HE2 HIS 15 HE2 HIS 15 6.901 11.624 5.933 109 H ILE 16 HN ILE 16 8.234 5.862 2.572 110 HA ILE 16 HA ILE 16 10.234 6.391 4.484 111 HB ILE 16 HB ILE 16 10.222 4.154 2.421 112 1HG1 ILE 16 HG12 ILE 16 8.148 4.083 3.677 113 2HG1 ILE 16 HG11 ILE 16 9.182 2.750 4.170 114 1HG2 ILE 16 HG21 ILE 16 11.591 2.891 4.021 115 2HG2 ILE 16 HG22 ILE 16 11.650 4.307 5.069 116 3HG2 ILE 16 HG23 ILE 16 12.389 4.365 3.468 117 1HD1 ILE 16 HD11 ILE 16 8.754 5.321 5.664 118 2HD1 ILE 16 HD12 ILE 16 9.806 4.002 6.174 119 3HD1 ILE 16 HD13 ILE 16 8.062 3.750 6.064 120 H LEU 17 HN LEU 17 10.276 6.270 1.008 121 HA LEU 17 HA LEU 17 13.126 6.688 0.798 122 1HB LEU 17 HB2 LEU 17 10.997 6.664 -1.339 123 2HB LEU 17 HB1 LEU 17 12.728 6.606 -1.611 124 HG LEU 17 HG LEU 17 11.095 4.467 -0.244 125 1HD1 LEU 17 HD11 LEU 17 10.621 4.588 -2.617 126 2HD1 LEU 17 HD12 LEU 17 11.549 3.137 -2.239 127 3HD1 LEU 17 HD13 LEU 17 12.346 4.530 -2.977 128 1HD2 LEU 17 HD21 LEU 17 13.133 3.117 -0.362 129 2HD2 LEU 17 HD22 LEU 17 13.385 4.566 0.609 130 3HD2 LEU 17 HD23 LEU 17 14.009 4.490 -1.039 131 H GLY 18 HN GLY 18 10.178 8.540 0.470 132 1HA GLY 18 HA2 GLY 18 10.349 10.922 1.049 133 2HA GLY 18 HA1 GLY 18 11.821 10.968 0.087 134 H ILE 19 HN ILE 19 9.607 8.982 -1.342 135 HA ILE 19 HA ILE 19 8.904 11.072 -3.225 136 HB ILE 19 HB ILE 19 8.056 8.969 -4.561 137 1HG1 ILE 19 HG12 ILE 19 10.270 7.790 -2.865 138 2HG1 ILE 19 HG11 ILE 19 8.575 7.327 -2.810 139 1HG2 ILE 19 HG21 ILE 19 10.233 8.901 -5.709 140 2HG2 ILE 19 HG22 ILE 19 10.917 9.880 -4.397 141 3HG2 ILE 19 HG23 ILE 19 9.600 10.513 -5.399 142 1HD1 ILE 19 HD11 ILE 19 9.901 5.711 -4.038 143 2HD1 ILE 19 HD12 ILE 19 10.437 6.973 -5.151 144 3HD1 ILE 19 HD13 ILE 19 8.739 6.498 -5.105 145 H ARG 20 HN ARG 20 6.786 10.789 -4.315 146 HA ARG 20 HA ARG 20 4.598 9.746 -2.740 147 1HB ARG 20 HB2 ARG 20 5.222 11.834 -1.512 148 2HB ARG 20 HB1 ARG 20 4.962 12.736 -2.993 149 1HG ARG 20 HG2 ARG 20 2.580 11.799 -2.919 150 2HG ARG 20 HG1 ARG 20 2.949 11.379 -1.243 151 1HD ARG 20 HD2 ARG 20 1.884 13.543 -1.285 152 2HD ARG 20 HD1 ARG 20 3.584 13.752 -0.846 153 HE ARG 20 HE ARG 20 3.498 14.011 -3.580 154 1HH1 ARG 20 HH11 ARG 20 2.258 15.885 -0.816 155 2HH1 ARG 20 HH12 ARG 20 1.995 17.283 -1.753 156 1HH2 ARG 20 HH21 ARG 20 3.118 15.898 -4.817 157 2HH2 ARG 20 HH22 ARG 20 2.428 17.272 -4.073 158 H ASP 21 HN ASP 21 5.700 12.111 -5.092 159 HA ASP 21 HA ASP 21 3.272 12.130 -6.584 160 1HB ASP 21 HB2 ASP 21 5.947 13.395 -7.193 161 2HB ASP 21 HB1 ASP 21 4.444 13.721 -8.044 162 H LEU 22 HN LEU 22 6.511 10.884 -7.023 163 HA LEU 22 HA LEU 22 7.358 9.277 -8.411 164 1HB LEU 22 HB2 LEU 22 4.456 8.525 -8.352 165 2HB LEU 22 HB1 LEU 22 5.549 7.682 -9.423 166 HG LEU 22 HG LEU 22 5.146 6.448 -7.392 167 1HD1 LEU 22 HD11 LEU 22 7.248 6.174 -8.515 168 2HD1 LEU 22 HD12 LEU 22 7.488 6.044 -6.771 169 3HD1 LEU 22 HD13 LEU 22 7.935 7.527 -7.626 170 1HD2 LEU 22 HD21 LEU 22 6.021 7.200 -5.226 171 2HD2 LEU 22 HD22 LEU 22 4.750 8.273 -5.819 172 3HD2 LEU 22 HD23 LEU 22 6.438 8.758 -5.938 173 H ALA 23 HN ALA 23 6.896 11.793 -9.475 174 HA ALA 23 HA ALA 23 5.666 11.472 -12.062 175 1HB ALA 23 HB1 ALA 23 5.363 13.571 -10.831 176 2HB ALA 23 HB2 ALA 23 6.129 13.842 -12.396 177 3HB ALA 23 HB3 ALA 23 7.099 13.869 -10.924 178 H GLY 24 HN GLY 24 8.665 11.144 -10.738 179 1HA GLY 24 HA2 GLY 24 9.801 10.667 -13.386 180 2HA GLY 24 HA1 GLY 24 10.660 11.822 -12.362 181 H ILE 25 HN ILE 25 9.022 8.873 -11.480 182 HA ILE 25 HA ILE 25 11.604 7.720 -10.673 183 HB ILE 25 HB ILE 25 9.020 7.525 -9.084 184 1HG1 ILE 25 HG12 ILE 25 10.062 9.762 -8.884 185 2HG1 ILE 25 HG11 ILE 25 10.071 8.879 -7.366 186 1HG2 ILE 25 HG21 ILE 25 11.769 6.459 -8.434 187 2HG2 ILE 25 HG22 ILE 25 10.355 5.505 -8.884 188 3HG2 ILE 25 HG23 ILE 25 10.367 6.397 -7.362 189 1HD1 ILE 25 HD11 ILE 25 12.149 10.067 -7.704 190 2HD1 ILE 25 HD12 ILE 25 12.410 9.217 -9.229 191 3HD1 ILE 25 HD13 ILE 25 12.416 8.326 -7.705 192 H ASN 26 HN ASN 26 11.768 5.587 -11.125 193 HA ASN 26 HA ASN 26 9.966 4.447 -13.008 194 1HB ASN 26 HB2 ASN 26 12.347 3.864 -13.042 195 2HB ASN 26 HB1 ASN 26 12.212 3.148 -11.440 196 1HD2 ASN 26 HD21 ASN 26 11.438 2.778 -14.818 197 2HD2 ASN 26 HD22 ASN 26 11.044 1.112 -14.743 198 H LEU 27 HN LEU 27 8.122 3.563 -12.615 199 HA LEU 27 HA LEU 27 7.160 3.206 -9.935 200 1HB LEU 27 HB2 LEU 27 5.829 2.427 -12.524 201 2HB LEU 27 HB1 LEU 27 5.053 2.661 -10.974 202 HG LEU 27 HG LEU 27 6.317 4.820 -12.667 203 1HD1 LEU 27 HD11 LEU 27 4.019 5.609 -12.952 204 2HD1 LEU 27 HD12 LEU 27 3.435 4.206 -12.056 205 3HD1 LEU 27 HD13 LEU 27 4.248 3.987 -13.605 206 1HD2 LEU 27 HD21 LEU 27 6.528 5.308 -10.280 207 2HD2 LEU 27 HD22 LEU 27 4.797 5.031 -10.071 208 3HD2 LEU 27 HD23 LEU 27 5.360 6.381 -11.051 209 H ASP 28 HN ASP 28 8.423 1.204 -12.415 210 HA ASP 28 HA ASP 28 7.214 -1.243 -11.480 211 1HB ASP 28 HB2 ASP 28 9.246 -0.798 -13.662 212 2HB ASP 28 HB1 ASP 28 8.427 -2.318 -13.324 213 H SER 29 HN SER 29 9.468 0.378 -10.049 214 HA SER 29 HA SER 29 11.510 -1.607 -9.771 215 1HB SER 29 HB2 SER 29 10.898 0.839 -8.087 216 2HB SER 29 HB1 SER 29 12.389 -0.105 -8.047 217 HG SER 29 HG SER 29 11.573 0.853 -10.520 218 H SER 30 HN SER 30 11.412 -3.292 -8.462 219 HA SER 30 HA SER 30 9.050 -3.975 -7.049 220 1HB SER 30 HB2 SER 30 10.415 -5.930 -6.285 221 2HB SER 30 HB1 SER 30 10.482 -5.702 -8.027 222 HG SER 30 HG SER 30 12.485 -4.849 -7.870 223 H LEU 31 HN LEU 31 8.793 -4.241 -4.764 224 HA LEU 31 HA LEU 31 9.738 -2.227 -3.139 225 1HB LEU 31 HB2 LEU 31 7.773 -3.807 -2.800 226 2HB LEU 31 HB1 LEU 31 8.933 -4.956 -2.164 227 HG LEU 31 HG LEU 31 9.570 -3.282 -0.438 228 1HD1 LEU 31 HD11 LEU 31 8.072 -1.383 -0.102 229 2HD1 LEU 31 HD12 LEU 31 7.217 -1.839 -1.587 230 3HD1 LEU 31 HD13 LEU 31 8.898 -1.317 -1.667 231 1HD2 LEU 31 HD21 LEU 31 6.657 -4.018 -0.538 232 2HD2 LEU 31 HD22 LEU 31 7.563 -3.555 0.902 233 3HD2 LEU 31 HD23 LEU 31 7.964 -5.045 0.048 234 H ALA 32 HN ALA 32 11.006 -5.419 -3.762 235 HA ALA 32 HA ALA 32 13.000 -5.390 -1.773 236 1HB ALA 32 HB1 ALA 32 12.274 -7.451 -2.855 237 2HB ALA 32 HB2 ALA 32 14.020 -7.233 -2.996 238 3HB ALA 32 HB3 ALA 32 12.973 -6.898 -4.377 239 H ASP 33 HN ASP 33 12.904 -4.221 -5.105 240 HA ASP 33 HA ASP 33 15.657 -3.841 -5.362 241 1HB ASP 33 HB2 ASP 33 14.128 -3.883 -7.299 242 2HB ASP 33 HB1 ASP 33 13.499 -2.312 -6.811 243 H LEU 34 HN LEU 34 13.090 -1.957 -4.105 244 HA LEU 34 HA LEU 34 14.244 0.603 -3.840 245 1HB LEU 34 HB2 LEU 34 12.039 -0.868 -2.486 246 2HB LEU 34 HB1 LEU 34 12.583 0.643 -1.811 247 HG LEU 34 HG LEU 34 11.669 1.898 -3.558 248 1HD1 LEU 34 HD11 LEU 34 11.006 1.011 -5.723 249 2HD1 LEU 34 HD12 LEU 34 11.514 -0.606 -5.236 250 3HD1 LEU 34 HD13 LEU 34 12.714 0.670 -5.436 251 1HD2 LEU 34 HD21 LEU 34 9.425 1.000 -3.899 252 2HD2 LEU 34 HD22 LEU 34 9.971 0.862 -2.222 253 3HD2 LEU 34 HD23 LEU 34 9.987 -0.553 -3.277 254 H GLY 35 HN GLY 35 14.565 -2.286 -1.987 255 1HA GLY 35 HA2 GLY 35 16.656 -2.391 -0.687 256 2HA GLY 35 HA1 GLY 35 16.215 -0.810 -0.055 257 H LEU 36 HN LEU 36 13.688 -3.130 -0.509 258 HA LEU 36 HA LEU 36 13.078 -3.171 2.217 259 1HB LEU 36 HB2 LEU 36 11.202 -3.670 1.200 260 2HB LEU 36 HB1 LEU 36 11.903 -4.412 -0.185 261 HG LEU 36 HG LEU 36 12.235 -6.486 1.332 262 1HD1 LEU 36 HD11 LEU 36 11.946 -5.456 3.476 263 2HD1 LEU 36 HD12 LEU 36 10.726 -6.706 3.222 264 3HD1 LEU 36 HD13 LEU 36 10.289 -5.004 3.067 265 1HD2 LEU 36 HD21 LEU 36 9.446 -5.588 0.671 266 2HD2 LEU 36 HD22 LEU 36 9.944 -7.245 1.012 267 3HD2 LEU 36 HD23 LEU 36 10.566 -6.411 -0.412 268 H ASP 37 HN ASP 37 14.223 -3.914 3.658 269 HA ASP 37 HA ASP 37 15.408 -6.582 3.348 270 1HB ASP 37 HB2 ASP 37 17.119 -4.909 3.781 271 2HB ASP 37 HB1 ASP 37 16.226 -4.312 5.173 272 H SER 38 HN SER 38 14.117 -4.389 5.800 273 HA SER 38 HA SER 38 12.648 -6.631 6.925 274 1HB SER 38 HB2 SER 38 14.388 -4.737 8.522 275 2HB SER 38 HB1 SER 38 13.323 -5.959 9.208 276 HG SER 38 HG SER 38 15.700 -6.303 7.698 277 H LEU 39 HN LEU 39 13.173 -3.120 7.546 278 HA LEU 39 HA LEU 39 10.649 -2.662 8.670 279 1HB LEU 39 HB2 LEU 39 12.521 -1.108 8.919 280 2HB LEU 39 HB1 LEU 39 12.382 -0.670 7.223 281 HG LEU 39 HG LEU 39 10.037 0.087 7.719 282 1HD1 LEU 39 HD11 LEU 39 9.659 -1.079 9.784 283 2HD1 LEU 39 HD12 LEU 39 9.480 0.659 10.020 284 3HD1 LEU 39 HD13 LEU 39 10.941 -0.160 10.573 285 1HD2 LEU 39 HD21 LEU 39 11.837 1.640 7.389 286 2HD2 LEU 39 HD22 LEU 39 12.292 1.508 9.098 287 3HD2 LEU 39 HD23 LEU 39 10.732 2.211 8.643 288 H MET 40 HN MET 40 11.698 -2.456 5.320 289 HA MET 40 HA MET 40 9.298 -1.233 4.366 290 1HB MET 40 HB2 MET 40 11.443 -2.706 2.854 291 2HB MET 40 HB1 MET 40 10.107 -1.842 2.112 292 1HG MET 40 HG2 MET 40 10.895 0.240 3.160 293 2HG MET 40 HG1 MET 40 12.266 -0.645 3.830 294 1HE MET 40 HE1 MET 40 12.712 1.965 2.155 295 2HE MET 40 HE2 MET 40 14.024 1.470 1.084 296 3HE MET 40 HE3 MET 40 14.028 0.969 2.774 297 H GLY 41 HN GLY 41 9.665 -4.172 5.601 298 1HA GLY 41 HA2 GLY 41 7.324 -5.145 4.102 299 2HA GLY 41 HA1 GLY 41 8.514 -6.213 4.847 300 H VAL 42 HN VAL 42 8.871 -4.745 7.242 301 HA VAL 42 HA VAL 42 6.741 -5.825 8.758 302 HB VAL 42 HB VAL 42 8.987 -3.978 9.641 303 1HG1 VAL 42 HG11 VAL 42 7.113 -3.867 11.210 304 2HG1 VAL 42 HG12 VAL 42 8.485 -4.713 11.927 305 3HG1 VAL 42 HG13 VAL 42 7.099 -5.626 11.332 306 1HG2 VAL 42 HG21 VAL 42 10.007 -6.027 10.528 307 2HG2 VAL 42 HG22 VAL 42 9.785 -6.110 8.782 308 3HG2 VAL 42 HG23 VAL 42 8.682 -6.974 9.853 309 H GLU 43 HN GLU 43 7.603 -2.415 7.984 310 HA GLU 43 HA GLU 43 5.459 -1.461 9.550 311 1HB GLU 43 HB2 GLU 43 7.346 0.021 9.082 312 2HB GLU 43 HB1 GLU 43 6.986 -0.009 7.360 313 1HG GLU 43 HG2 GLU 43 5.111 1.337 7.604 314 2HG GLU 43 HG1 GLU 43 4.941 0.957 9.312 315 H VAL 44 HN VAL 44 5.730 -2.470 6.273 316 HA VAL 44 HA VAL 44 3.204 -1.582 5.321 317 HB VAL 44 HB VAL 44 4.767 -4.062 4.520 318 1HG1 VAL 44 HG11 VAL 44 2.603 -2.557 3.047 319 2HG1 VAL 44 HG12 VAL 44 2.440 -4.147 3.790 320 3HG1 VAL 44 HG13 VAL 44 3.526 -3.924 2.417 321 1HG2 VAL 44 HG21 VAL 44 4.783 -1.286 3.350 322 2HG2 VAL 44 HG22 VAL 44 5.622 -2.694 2.689 323 3HG2 VAL 44 HG23 VAL 44 6.086 -2.052 4.264 324 H ARG 45 HN ARG 45 4.225 -4.662 6.776 325 HA ARG 45 HA ARG 45 1.659 -5.757 6.895 326 1HB ARG 45 HB2 ARG 45 4.131 -6.314 8.506 327 2HB ARG 45 HB1 ARG 45 2.643 -7.207 8.775 328 1HG ARG 45 HG2 ARG 45 2.683 -7.843 6.366 329 2HG ARG 45 HG1 ARG 45 4.263 -7.074 6.251 330 1HD ARG 45 HD2 ARG 45 3.604 -9.280 8.183 331 2HD ARG 45 HD1 ARG 45 4.296 -9.552 6.588 332 HE ARG 45 HE ARG 45 6.158 -8.099 7.382 333 1HH1 ARG 45 HH11 ARG 45 4.172 -9.767 9.773 334 2HH1 ARG 45 HH12 ARG 45 5.473 -10.253 10.761 335 1HH2 ARG 45 HH21 ARG 45 8.038 -8.807 8.774 336 2HH2 ARG 45 HH22 ARG 45 7.676 -9.631 10.211 337 H GLN 46 HN GLN 46 3.314 -3.624 9.079 338 HA GLN 46 HA GLN 46 1.384 -3.747 11.153 339 1HB GLN 46 HB2 GLN 46 3.490 -1.710 10.469 340 2HB GLN 46 HB1 GLN 46 2.417 -1.523 11.847 341 1HG GLN 46 HG2 GLN 46 4.215 -3.875 11.405 342 2HG GLN 46 HG1 GLN 46 4.635 -2.481 12.405 343 1HE2 GLN 46 HE21 GLN 46 4.329 -5.308 13.150 344 2HE2 GLN 46 HE22 GLN 46 3.144 -5.287 14.405 345 H ILE 47 HN ILE 47 1.225 -2.338 8.114 346 HA ILE 47 HA ILE 47 -0.898 -0.506 8.907 347 HB ILE 47 HB ILE 47 0.173 -1.180 6.135 348 1HG1 ILE 47 HG12 ILE 47 0.553 1.309 7.771 349 2HG1 ILE 47 HG11 ILE 47 1.741 0.006 7.700 350 1HG2 ILE 47 HG21 ILE 47 -1.091 0.808 5.389 351 2HG2 ILE 47 HG22 ILE 47 -1.774 0.976 7.007 352 3HG2 ILE 47 HG23 ILE 47 -2.152 -0.443 6.033 353 1HD1 ILE 47 HD11 ILE 47 2.380 1.819 6.249 354 2HD1 ILE 47 HD12 ILE 47 0.827 1.748 5.409 355 3HD1 ILE 47 HD13 ILE 47 1.969 0.406 5.282 356 H LEU 48 HN LEU 48 -0.451 -3.136 6.602 357 HA LEU 48 HA LEU 48 -3.151 -3.502 6.047 358 1HB LEU 48 HB2 LEU 48 -0.806 -5.335 5.662 359 2HB LEU 48 HB1 LEU 48 -2.422 -5.789 5.175 360 HG LEU 48 HG LEU 48 -1.270 -5.058 3.247 361 1HD1 LEU 48 HD11 LEU 48 -3.056 -2.840 4.139 362 2HD1 LEU 48 HD12 LEU 48 -3.574 -4.351 3.380 363 3HD1 LEU 48 HD13 LEU 48 -2.594 -3.192 2.474 364 1HD2 LEU 48 HD21 LEU 48 -0.278 -2.845 2.996 365 2HD2 LEU 48 HD22 LEU 48 0.524 -3.788 4.249 366 3HD2 LEU 48 HD23 LEU 48 -0.609 -2.511 4.694 367 H GLU 49 HN GLU 49 -1.121 -5.256 8.383 368 HA GLU 49 HA GLU 49 -3.211 -7.073 9.030 369 1HB GLU 49 HB2 GLU 49 -0.827 -7.662 9.206 370 2HB GLU 49 HB1 GLU 49 -0.636 -6.481 10.492 371 1HG GLU 49 HG2 GLU 49 -2.243 -7.763 11.847 372 2HG GLU 49 HG1 GLU 49 -2.308 -8.976 10.568 373 H ARG 50 HN ARG 50 -2.290 -3.962 10.117 374 HA ARG 50 HA ARG 50 -3.650 -4.257 12.666 375 1HB ARG 50 HB2 ARG 50 -1.522 -2.905 12.254 376 2HB ARG 50 HB1 ARG 50 -2.564 -1.718 11.490 377 1HG ARG 50 HG2 ARG 50 -3.838 -1.569 13.620 378 2HG ARG 50 HG1 ARG 50 -2.626 -2.621 14.354 379 1HD ARG 50 HD2 ARG 50 -1.928 -0.440 14.888 380 2HD ARG 50 HD1 ARG 50 -0.905 -0.931 13.533 381 HE ARG 50 HE ARG 50 -3.235 0.401 12.609 382 1HH1 ARG 50 HH11 ARG 50 0.039 1.015 13.813 383 2HH1 ARG 50 HH12 ARG 50 0.006 2.683 13.435 384 1HH2 ARG 50 HH21 ARG 50 -3.289 2.614 12.093 385 2HH2 ARG 50 HH22 ARG 50 -1.968 3.649 12.447 386 H GLU 51 HN GLU 51 -3.989 -2.360 9.676 387 HA GLU 51 HA GLU 51 -6.404 -1.120 10.612 388 1HB GLU 51 HB2 GLU 51 -5.112 -0.978 7.903 389 2HB GLU 51 HB1 GLU 51 -6.321 0.123 8.523 390 1HG GLU 51 HG2 GLU 51 -3.489 -0.196 9.529 391 2HG GLU 51 HG1 GLU 51 -4.093 1.115 8.530 392 H HIS 52 HN HIS 52 -5.595 -3.805 8.458 393 HA HIS 52 HA HIS 52 -8.502 -4.105 7.970 394 1HB HIS 52 HB2 HIS 52 -7.070 -3.227 5.956 395 2HB HIS 52 HB1 HIS 52 -6.438 -4.854 5.896 396 HD1 HIS 52 HD1 HIS 52 -7.835 -3.909 3.408 397 HD2 HIS 52 HD2 HIS 52 -9.923 -5.742 6.508 398 HE1 HIS 52 HE1 HIS 52 -9.894 -4.838 2.374 399 HE2 HIS 52 HE2 HIS 52 -11.283 -5.500 4.325 400 H ASP 53 HN ASP 53 -6.054 -5.415 9.567 401 HA ASP 53 HA ASP 53 -5.384 -7.445 10.309 402 1HB ASP 53 HB2 ASP 53 -8.282 -7.985 9.750 403 2HB ASP 53 HB1 ASP 53 -7.236 -9.315 10.237 404 H LEU 54 HN LEU 54 -4.936 -6.831 7.550 405 HA LEU 54 HA LEU 54 -5.000 -9.385 6.193 406 1HB LEU 54 HB2 LEU 54 -4.216 -6.629 5.423 407 2HB LEU 54 HB1 LEU 54 -3.667 -7.978 4.461 408 HG LEU 54 HG LEU 54 -6.520 -7.246 5.014 409 1HD1 LEU 54 HD11 LEU 54 -6.557 -6.677 2.647 410 2HD1 LEU 54 HD12 LEU 54 -4.835 -7.066 2.544 411 3HD1 LEU 54 HD13 LEU 54 -5.375 -5.703 3.531 412 1HD2 LEU 54 HD21 LEU 54 -6.244 -9.644 4.782 413 2HD2 LEU 54 HD22 LEU 54 -5.345 -9.407 3.284 414 3HD2 LEU 54 HD23 LEU 54 -7.052 -8.969 3.368 415 H VAL 55 HN VAL 55 -3.550 -10.770 7.014 416 HA VAL 55 HA VAL 55 -0.869 -9.869 7.565 417 HB VAL 55 HB VAL 55 -1.859 -12.734 7.360 418 1HG1 VAL 55 HG11 VAL 55 0.559 -12.538 7.193 419 2HG1 VAL 55 HG12 VAL 55 0.109 -13.276 8.727 420 3HG1 VAL 55 HG13 VAL 55 0.603 -11.583 8.675 421 1HG2 VAL 55 HG21 VAL 55 -3.135 -11.556 9.070 422 2HG2 VAL 55 HG22 VAL 55 -1.640 -10.989 9.816 423 3HG2 VAL 55 HG23 VAL 55 -2.029 -12.711 9.811 424 H LEU 56 HN LEU 56 -0.312 -9.010 5.620 425 HA LEU 56 HA LEU 56 -0.097 -10.863 3.364 426 1HB LEU 56 HB2 LEU 56 0.546 -7.908 3.312 427 2HB LEU 56 HB1 LEU 56 0.240 -8.959 1.953 428 HG LEU 56 HG LEU 56 -1.769 -7.832 3.894 429 1HD1 LEU 56 HD11 LEU 56 -2.731 -6.819 1.898 430 2HD1 LEU 56 HD12 LEU 56 -1.411 -7.489 0.936 431 3HD1 LEU 56 HD13 LEU 56 -1.071 -6.305 2.198 432 1HD2 LEU 56 HD21 LEU 56 -2.367 -10.181 3.349 433 2HD2 LEU 56 HD22 LEU 56 -2.402 -9.753 1.628 434 3HD2 LEU 56 HD23 LEU 56 -3.523 -8.991 2.777 435 HA PRO 57 HA PRO 57 4.028 -11.183 5.087 436 1HB PRO 57 HB2 PRO 57 4.437 -13.324 3.154 437 2HB PRO 57 HB1 PRO 57 4.333 -13.423 4.913 438 1HG PRO 57 HG2 PRO 57 2.418 -14.424 3.283 439 2HG PRO 57 HG1 PRO 57 2.060 -13.773 4.893 440 1HD PRO 57 HD2 PRO 57 1.768 -12.474 2.214 441 2HD PRO 57 HD1 PRO 57 0.639 -12.476 3.590 442 H ILE 58 HN ILE 58 6.208 -11.065 4.303 443 HA ILE 58 HA ILE 58 6.614 -9.189 2.247 444 HB ILE 58 HB ILE 58 8.562 -10.980 3.735 445 1HG1 ILE 58 HG12 ILE 58 9.493 -8.807 4.534 446 2HG1 ILE 58 HG11 ILE 58 8.243 -7.974 3.632 447 1HG2 ILE 58 HG21 ILE 58 9.387 -9.066 1.560 448 2HG2 ILE 58 HG22 ILE 58 9.523 -10.824 1.519 449 3HG2 ILE 58 HG23 ILE 58 10.477 -9.893 2.675 450 1HD1 ILE 58 HD11 ILE 58 7.825 -9.848 5.943 451 2HD1 ILE 58 HD12 ILE 58 6.553 -9.032 5.038 452 3HD1 ILE 58 HD13 ILE 58 7.708 -8.088 5.981 453 H ARG 59 HN ARG 59 6.374 -12.558 2.185 454 HA ARG 59 HA ARG 59 7.662 -13.172 -0.239 455 1HB ARG 59 HB2 ARG 59 5.316 -14.614 1.020 456 2HB ARG 59 HB1 ARG 59 6.247 -15.224 -0.331 457 1HG ARG 59 HG2 ARG 59 7.084 -16.377 1.504 458 2HG ARG 59 HG1 ARG 59 8.262 -15.096 1.248 459 1HD ARG 59 HD2 ARG 59 7.164 -13.776 3.019 460 2HD ARG 59 HD1 ARG 59 6.048 -15.112 3.300 461 HE ARG 59 HE ARG 59 8.911 -15.561 3.516 462 1HH1 ARG 59 HH11 ARG 59 5.734 -15.428 5.104 463 2HH1 ARG 59 HH12 ARG 59 6.339 -15.948 6.610 464 1HH2 ARG 59 HH21 ARG 59 9.672 -16.277 5.524 465 2HH2 ARG 59 HH22 ARG 59 8.632 -16.435 6.877 466 H GLU 60 HN GLU 60 4.679 -11.583 0.344 467 HA GLU 60 HA GLU 60 3.980 -11.762 -2.511 468 1HB GLU 60 HB2 GLU 60 2.336 -10.861 -0.145 469 2HB GLU 60 HB1 GLU 60 1.794 -10.779 -1.812 470 1HG GLU 60 HG2 GLU 60 1.987 -13.217 -1.964 471 2HG GLU 60 HG1 GLU 60 2.472 -13.264 -0.272 472 H VAL 61 HN VAL 61 4.307 -9.515 0.177 473 HA VAL 61 HA VAL 61 3.796 -7.165 -1.246 474 HB VAL 61 HB VAL 61 5.395 -7.456 1.323 475 1HG1 VAL 61 HG11 VAL 61 3.877 -5.101 0.219 476 2HG1 VAL 61 HG12 VAL 61 5.629 -5.244 0.332 477 3HG1 VAL 61 HG13 VAL 61 4.655 -5.174 1.800 478 1HG2 VAL 61 HG21 VAL 61 3.270 -7.052 2.466 479 2HG2 VAL 61 HG22 VAL 61 3.223 -8.531 1.505 480 3HG2 VAL 61 HG23 VAL 61 2.433 -7.069 0.913 481 H ARG 62 HN ARG 62 6.765 -8.961 -0.928 482 HA ARG 62 HA ARG 62 8.643 -6.972 -1.552 483 1HB ARG 62 HB2 ARG 62 9.256 -9.125 -0.644 484 2HB ARG 62 HB1 ARG 62 8.683 -9.934 -2.087 485 1HG ARG 62 HG2 ARG 62 10.444 -8.893 -3.382 486 2HG ARG 62 HG1 ARG 62 11.002 -8.034 -1.942 487 1HD ARG 62 HD2 ARG 62 12.348 -10.044 -2.370 488 2HD ARG 62 HD1 ARG 62 11.467 -10.168 -0.846 489 HE ARG 62 HE ARG 62 10.456 -11.387 -3.314 490 1HH1 ARG 62 HH11 ARG 62 11.510 -11.714 0.061 491 2HH1 ARG 62 HH12 ARG 62 10.914 -13.281 0.276 492 1HH2 ARG 62 HH21 ARG 62 9.673 -13.580 -3.071 493 2HH2 ARG 62 HH22 ARG 62 9.831 -14.395 -1.589 494 H GLN 63 HN GLN 63 6.372 -8.602 -3.595 495 HA GLN 63 HA GLN 63 7.884 -7.834 -5.982 496 1HB GLN 63 HB2 GLN 63 5.510 -9.691 -5.766 497 2HB GLN 63 HB1 GLN 63 6.299 -9.245 -7.260 498 1HG GLN 63 HG2 GLN 63 7.194 -11.324 -6.790 499 2HG GLN 63 HG1 GLN 63 8.431 -10.206 -6.238 500 1HE2 GLN 63 HE21 GLN 63 5.470 -10.957 -4.545 501 2HE2 GLN 63 HE22 GLN 63 6.218 -11.810 -3.247 502 H LEU 64 HN LEU 64 5.890 -6.427 -4.039 503 HA LEU 64 HA LEU 64 4.116 -5.290 -6.008 504 1HB LEU 64 HB2 LEU 64 4.770 -4.220 -3.248 505 2HB LEU 64 HB1 LEU 64 3.455 -3.709 -4.277 506 HG LEU 64 HG LEU 64 3.721 -6.360 -2.886 507 1HD1 LEU 64 HD11 LEU 64 3.083 -4.561 -1.418 508 2HD1 LEU 64 HD12 LEU 64 1.713 -5.639 -1.685 509 3HD1 LEU 64 HD13 LEU 64 1.790 -4.084 -2.518 510 1HD2 LEU 64 HD21 LEU 64 1.527 -5.391 -4.725 511 2HD2 LEU 64 HD22 LEU 64 1.495 -6.882 -3.786 512 3HD2 LEU 64 HD23 LEU 64 2.681 -6.678 -5.076 513 H THR 65 HN THR 65 4.597 -3.569 -7.249 514 HA THR 65 HA THR 65 7.206 -2.400 -6.975 515 HB THR 65 HB THR 65 6.453 -1.308 -9.148 516 HG1 THR 65 HG1 THR 65 4.580 -2.008 -10.030 517 1HG2 THR 65 HG21 THR 65 6.647 -3.385 -10.453 518 2HG2 THR 65 HG22 THR 65 6.347 -4.322 -8.983 519 3HG2 THR 65 HG23 THR 65 7.807 -3.349 -9.124 520 H LEU 66 HN LEU 66 7.362 -0.067 -7.072 521 HA LEU 66 HA LEU 66 6.425 0.998 -4.740 522 1HB LEU 66 HB2 LEU 66 8.313 1.841 -6.228 523 2HB LEU 66 HB1 LEU 66 7.097 2.724 -7.119 524 HG LEU 66 HG LEU 66 8.347 4.144 -5.506 525 1HD1 LEU 66 HD11 LEU 66 5.473 3.785 -4.814 526 2HD1 LEU 66 HD12 LEU 66 6.110 4.812 -6.106 527 3HD1 LEU 66 HD13 LEU 66 6.440 5.209 -4.407 528 1HD2 LEU 66 HD21 LEU 66 8.775 2.491 -3.791 529 2HD2 LEU 66 HD22 LEU 66 7.057 2.404 -3.420 530 3HD2 LEU 66 HD23 LEU 66 7.948 3.893 -3.105 531 H ARG 67 HN ARG 67 4.854 1.665 -7.911 532 HA ARG 67 HA ARG 67 2.895 3.106 -6.390 533 1HB ARG 67 HB2 ARG 67 3.455 2.955 -9.281 534 2HB ARG 67 HB1 ARG 67 1.793 3.294 -8.803 535 1HG ARG 67 HG2 ARG 67 4.209 4.840 -7.889 536 2HG ARG 67 HG1 ARG 67 3.082 5.342 -9.158 537 1HD ARG 67 HD2 ARG 67 1.235 5.226 -7.516 538 2HD ARG 67 HD1 ARG 67 2.397 4.819 -6.274 539 HE ARG 67 HE ARG 67 3.162 6.985 -6.237 540 1HH1 ARG 67 HH11 ARG 67 0.895 6.648 -8.922 541 2HH1 ARG 67 HH12 ARG 67 0.393 8.266 -8.905 542 1HH2 ARG 67 HH21 ARG 67 2.449 9.296 -6.211 543 2HH2 ARG 67 HH22 ARG 67 1.308 9.765 -7.380 544 H LYS 68 HN LYS 68 3.253 -0.020 -7.316 545 HA LYS 68 HA LYS 68 0.484 -0.646 -7.524 546 1HB LYS 68 HB2 LYS 68 2.184 -2.087 -8.517 547 2HB LYS 68 HB1 LYS 68 2.850 -2.419 -6.926 548 1HG LYS 68 HG2 LYS 68 0.913 -3.633 -6.277 549 2HG LYS 68 HG1 LYS 68 0.044 -3.126 -7.724 550 1HD LYS 68 HD2 LYS 68 2.554 -4.744 -7.732 551 2HD LYS 68 HD1 LYS 68 0.934 -5.458 -7.807 552 1HE LYS 68 HE2 LYS 68 2.231 -3.612 -9.831 553 2HE LYS 68 HE1 LYS 68 1.818 -5.307 -10.047 554 1HZ LYS 68 HZ1 LYS 68 -0.093 -3.035 -9.764 555 2HZ LYS 68 HZ2 LYS 68 -0.558 -4.646 -9.722 556 3HZ LYS 68 HZ3 LYS 68 0.158 -4.013 -11.114 557 H LEU 69 HN LEU 69 2.660 -0.051 -4.992 558 HA LEU 69 HA LEU 69 1.397 -1.276 -2.833 559 1HB LEU 69 HB2 LEU 69 2.971 1.261 -3.026 560 2HB LEU 69 HB1 LEU 69 2.090 0.949 -1.556 561 HG LEU 69 HG LEU 69 4.366 0.318 -1.246 562 1HD1 LEU 69 HD11 LEU 69 2.770 -1.069 -0.128 563 2HD1 LEU 69 HD12 LEU 69 4.174 -2.022 -0.609 564 3HD1 LEU 69 HD13 LEU 69 2.672 -2.140 -1.526 565 1HD2 LEU 69 HD21 LEU 69 5.480 -1.421 -2.550 566 2HD2 LEU 69 HD22 LEU 69 5.038 -0.038 -3.555 567 3HD2 LEU 69 HD23 LEU 69 4.079 -1.515 -3.615 568 H GLN 70 HN GLN 70 0.350 1.621 -4.592 569 HA GLN 70 HA GLN 70 -1.761 1.861 -2.634 570 1HB GLN 70 HB2 GLN 70 -2.506 3.895 -3.851 571 2HB GLN 70 HB1 GLN 70 -0.892 3.983 -3.171 572 1HG GLN 70 HG2 GLN 70 0.064 3.616 -5.356 573 2HG GLN 70 HG1 GLN 70 -1.563 3.528 -6.080 574 1HE2 GLN 70 HE21 GLN 70 -1.185 5.299 -7.367 575 2HE2 GLN 70 HE22 GLN 70 -1.093 6.920 -6.740 576 H GLU 71 HN GLU 71 -1.336 0.091 -5.292 577 HA GLU 71 HA GLU 71 -4.142 0.047 -6.094 578 1HB GLU 71 HB2 GLU 71 -1.887 -1.874 -6.698 579 2HB GLU 71 HB1 GLU 71 -3.492 -1.956 -7.385 580 1HG GLU 71 HG2 GLU 71 -3.065 0.207 -8.495 581 2HG GLU 71 HG1 GLU 71 -1.414 0.155 -7.861 582 H MET 72 HN MET 72 -1.776 -1.805 -4.368 583 HA MET 72 HA MET 72 -3.697 -3.809 -3.449 584 1HB MET 72 HB2 MET 72 -0.703 -3.582 -3.119 585 2HB MET 72 HB1 MET 72 -1.680 -4.922 -2.561 586 1HG MET 72 HG2 MET 72 -1.499 -4.126 -5.460 587 2HG MET 72 HG1 MET 72 -0.369 -5.244 -4.720 588 1HE MET 72 HE1 MET 72 -4.369 -4.850 -4.393 589 2HE MET 72 HE2 MET 72 -4.880 -6.131 -5.492 590 3HE MET 72 HE3 MET 72 -4.033 -4.717 -6.120 591 H SER 73 HN SER 73 -3.720 -1.007 -2.531 592 HA SER 73 HA SER 73 -2.540 -0.921 0.027 593 1HB SER 73 HB2 SER 73 -3.827 1.230 0.237 594 2HB SER 73 HB1 SER 73 -2.860 1.096 -1.212 595 HG SER 73 HG SER 73 -4.783 1.824 -1.900 596 H SER 74 HN SER 74 -5.663 -1.821 -1.256 597 HA SER 74 HA SER 74 -7.593 -2.582 -0.358 598 1HB SER 74 HB2 SER 74 -6.066 -4.556 -0.388 599 2HB SER 74 HB1 SER 74 -5.621 -4.191 1.280 600 HG SER 74 HG SER 74 -7.516 -5.754 0.561 601 H LYS 75 HN LYS 75 -8.008 -0.470 0.632 602 HA LYS 75 HA LYS 75 -7.307 -0.136 3.402 603 1HB LYS 75 HB2 LYS 75 -9.079 1.574 1.681 604 2HB LYS 75 HB1 LYS 75 -8.413 1.994 3.247 605 1HG LYS 75 HG2 LYS 75 -6.183 2.016 2.321 606 2HG LYS 75 HG1 LYS 75 -6.813 1.493 0.750 607 1HD LYS 75 HD2 LYS 75 -8.237 3.512 0.712 608 2HD LYS 75 HD1 LYS 75 -7.462 4.041 2.204 609 1HE LYS 75 HE2 LYS 75 -5.322 4.113 1.090 610 2HE LYS 75 HE1 LYS 75 -6.056 3.501 -0.394 611 1HZ LYS 75 HZ1 LYS 75 -6.705 6.078 0.923 612 2HZ LYS 75 HZ2 LYS 75 -7.439 5.461 -0.481 613 3HZ LYS 75 HZ3 LYS 75 -5.805 5.878 -0.513 614 H ALA 76 HN ALA 76 -8.644 -0.138 5.083 615 HA ALA 76 HA ALA 76 -10.999 -1.653 5.118 616 1HB ALA 76 HB1 ALA 76 -9.649 -1.220 7.117 617 2HB ALA 76 HB2 ALA 76 -11.323 -0.728 7.371 618 3HB ALA 76 HB3 ALA 76 -10.088 0.488 7.048 619 H GLY 77 HN GLY 77 -10.378 1.763 4.692 620 1HA GLY 77 HA2 GLY 77 -13.142 2.531 4.799 621 2HA GLY 77 HA1 GLY 77 -11.770 3.568 4.453 622 H SER 78 HN SER 78 -11.600 0.881 2.430 623 HA SER 78 HA SER 78 -12.552 2.432 0.216 624 1HB SER 78 HB2 SER 78 -11.464 -0.403 0.313 625 2HB SER 78 HB1 SER 78 -11.794 0.506 -1.159 626 HG SER 78 HG SER 78 -10.326 2.115 0.168 627 H ASP 79 HN ASP 79 -14.670 2.683 0.252 628 HA ASP 79 HA ASP 79 -16.451 0.563 1.017 629 1HB ASP 79 HB2 ASP 79 -16.979 2.847 1.659 630 2HB ASP 79 HB1 ASP 79 -16.981 3.348 -0.028 631 H THR 80 HN THR 80 -16.828 -1.000 -0.335 632 HA THR 80 HA THR 80 -17.727 -0.396 -2.991 633 HB THR 80 HB THR 80 -15.439 -2.356 -2.504 634 HG1 THR 80 HG1 THR 80 -15.506 0.310 -2.966 635 1HG2 THR 80 HG21 THR 80 -15.341 -2.462 -4.962 636 2HG2 THR 80 HG22 THR 80 -16.709 -1.350 -5.064 637 3HG2 THR 80 HG23 THR 80 -16.930 -2.959 -4.374 638 H GLU 81 HN GLU 81 -19.276 -1.838 -3.551 639 HA GLU 81 HA GLU 81 -19.680 -4.162 -1.813 640 1HB GLU 81 HB2 GLU 81 -22.113 -3.675 -1.830 641 2HB GLU 81 HB1 GLU 81 -21.167 -2.449 -1.003 642 1HG GLU 81 HG2 GLU 81 -21.251 -1.118 -3.138 643 2HG GLU 81 HG1 GLU 81 -22.435 -2.290 -3.713 644 H LEU 82 HN LEU 82 -20.544 -5.972 -2.784 645 HA LEU 82 HA LEU 82 -21.267 -7.384 -4.297 646 1HB LEU 82 HB2 LEU 82 -22.044 -4.922 -5.836 647 2HB LEU 82 HB1 LEU 82 -22.200 -6.508 -6.548 648 HG LEU 82 HG LEU 82 -24.330 -5.821 -5.724 649 1HD1 LEU 82 HD11 LEU 82 -23.833 -8.147 -5.530 650 2HD1 LEU 82 HD12 LEU 82 -24.861 -7.629 -4.194 651 3HD1 LEU 82 HD13 LEU 82 -23.138 -7.900 -3.929 652 1HD2 LEU 82 HD21 LEU 82 -23.652 -4.185 -4.036 653 2HD2 LEU 82 HD22 LEU 82 -23.061 -5.486 -3.004 654 3HD2 LEU 82 HD23 LEU 82 -24.782 -5.357 -3.359 655 H ALA 83 HN ALA 83 -18.637 -5.514 -4.717 656 HA ALA 83 HA ALA 83 -17.750 -6.549 -7.240 657 1HB ALA 83 HB1 ALA 83 -15.595 -5.534 -6.663 658 2HB ALA 83 HB2 ALA 83 -16.178 -5.218 -5.029 659 3HB ALA 83 HB3 ALA 83 -16.919 -4.398 -6.403 660 H ALA 84 HN ALA 84 -17.458 -7.339 -3.890 661 HA ALA 84 HA ALA 84 -15.887 -9.713 -4.500 662 1HB ALA 84 HB1 ALA 84 -15.347 -8.461 -2.453 663 2HB ALA 84 HB2 ALA 84 -15.944 -10.069 -2.049 664 3HB ALA 84 HB3 ALA 84 -17.002 -8.667 -1.881 665 HA PRO 85 HA PRO 85 -19.780 -11.688 -5.678 666 1HB PRO 85 HB2 PRO 85 -18.556 -14.245 -5.307 667 2HB PRO 85 HB1 PRO 85 -18.879 -13.408 -6.824 668 1HG PRO 85 HG2 PRO 85 -16.377 -13.614 -5.286 669 2HG PRO 85 HG1 PRO 85 -16.619 -13.266 -7.004 670 1HD PRO 85 HD2 PRO 85 -15.817 -11.387 -5.227 671 2HD PRO 85 HD1 PRO 85 -16.805 -11.001 -6.648 672 H LYS 86 HN LYS 86 -21.377 -11.875 -4.344 673 HA LYS 86 HA LYS 86 -21.015 -12.379 -1.561 674 1HB LYS 86 HB2 LYS 86 -23.489 -11.891 -3.181 675 2HB LYS 86 HB1 LYS 86 -23.483 -12.070 -1.431 676 1HG LYS 86 HG2 LYS 86 -21.851 -10.179 -1.341 677 2HG LYS 86 HG1 LYS 86 -22.145 -9.938 -3.063 678 1HD LYS 86 HD2 LYS 86 -23.501 -8.441 -1.683 679 2HD LYS 86 HD1 LYS 86 -24.497 -9.552 -2.626 680 1HE LYS 86 HE2 LYS 86 -24.860 -10.938 -0.693 681 2HE LYS 86 HE1 LYS 86 -23.729 -9.973 0.256 682 1HZ LYS 86 HZ1 LYS 86 -25.152 -8.158 0.210 683 2HZ LYS 86 HZ2 LYS 86 -26.189 -9.469 0.574 684 3HZ LYS 86 HZ3 LYS 86 -26.142 -8.811 -0.975 685 H SER 87 HN SER 87 -20.598 -14.625 -3.458 686 HA SER 87 HA SER 87 -22.406 -16.573 -2.284 687 1HB SER 87 HB2 SER 87 -20.177 -16.927 -4.305 688 2HB SER 87 HB1 SER 87 -21.396 -18.128 -3.867 689 HG SER 87 HG SER 87 -22.889 -16.269 -4.455 690 H LYS 88 HN LYS 88 -19.495 -15.000 -1.741 691 HA LYS 88 HA LYS 88 -18.985 -16.390 0.645 692 1HB LYS 88 HB2 LYS 88 -17.851 -17.936 -0.993 693 2HB LYS 88 HB1 LYS 88 -16.837 -16.585 -1.487 694 1HG LYS 88 HG2 LYS 88 -16.000 -16.417 0.837 695 2HG LYS 88 HG1 LYS 88 -16.950 -17.849 1.246 696 1HD LYS 88 HD2 LYS 88 -15.706 -19.092 -0.508 697 2HD LYS 88 HD1 LYS 88 -14.700 -17.665 -0.746 698 1HE LYS 88 HE2 LYS 88 -14.003 -17.790 1.610 699 2HE LYS 88 HE1 LYS 88 -14.975 -19.248 1.806 700 1HZ LYS 88 HZ1 LYS 88 -12.751 -19.942 1.396 701 2HZ LYS 88 HZ2 LYS 88 -12.585 -18.871 0.111 702 3HZ LYS 88 HZ3 LYS 88 -13.587 -20.212 -0.055 703 H ASN 89 HN ASN 89 -18.869 -14.546 1.737 704 HA ASN 89 HA ASN 89 -17.005 -12.497 0.776 705 1HB ASN 89 HB2 ASN 89 -19.643 -12.122 2.213 706 2HB ASN 89 HB1 ASN 89 -18.419 -10.868 2.139 707 1HD2 ASN 89 HD21 ASN 89 -17.651 -11.605 -0.594 708 2HD2 ASN 89 HD22 ASN 89 -18.911 -11.011 -1.612 Start of MODEL 27 1 1H GLY 1 HT1 GLY 1 -21.183 3.862 10.361 2 2H GLY 1 HT2 GLY 1 -19.685 4.347 11.005 3 3H GLY 1 HT3 GLY 1 -19.739 3.316 9.667 4 1HA GLY 1 HA1 GLY 1 -20.733 5.054 8.339 5 2HA GLY 1 HA2 GLY 1 -20.595 6.133 9.726 6 H ASP 2 HN ASP 2 -18.677 7.166 10.051 7 HA ASP 2 HA ASP 2 -16.543 6.373 8.198 8 1HB ASP 2 HB2 ASP 2 -15.663 8.571 8.254 9 2HB ASP 2 HB1 ASP 2 -17.402 8.806 8.183 10 H GLY 3 HN GLY 3 -14.538 5.909 8.916 11 1HA GLY 3 HA2 GLY 3 -13.856 6.215 11.690 12 2HA GLY 3 HA1 GLY 3 -14.100 4.544 11.171 13 H GLU 4 HN GLU 4 -12.533 3.544 10.145 14 HA GLU 4 HA GLU 4 -10.183 5.152 9.525 15 1HB GLU 4 HB2 GLU 4 -10.474 2.165 9.729 16 2HB GLU 4 HB1 GLU 4 -8.996 3.002 9.286 17 1HG GLU 4 HG2 GLU 4 -9.049 4.128 11.487 18 2HG GLU 4 HG1 GLU 4 -10.434 3.118 11.913 19 H ALA 5 HN ALA 5 -10.088 5.864 7.589 20 HA ALA 5 HA ALA 5 -11.011 4.164 5.400 21 1HB ALA 5 HB1 ALA 5 -11.921 6.447 5.376 22 2HB ALA 5 HB2 ALA 5 -10.803 6.227 4.032 23 3HB ALA 5 HB3 ALA 5 -10.288 7.109 5.470 24 H GLN 6 HN GLN 6 -9.395 2.916 4.669 25 HA GLN 6 HA GLN 6 -6.755 3.522 5.426 26 1HB GLN 6 HB2 GLN 6 -7.720 1.175 5.008 27 2HB GLN 6 HB1 GLN 6 -7.427 1.493 3.299 28 1HG GLN 6 HG2 GLN 6 -5.104 1.694 3.627 29 2HG GLN 6 HG1 GLN 6 -5.285 1.769 5.372 30 1HE2 GLN 6 HE21 GLN 6 -4.067 0.138 5.904 31 2HE2 GLN 6 HE22 GLN 6 -4.316 -1.517 5.461 32 H ARG 7 HN ARG 7 -5.140 4.302 4.408 33 HA ARG 7 HA ARG 7 -5.809 6.209 2.304 34 1HB ARG 7 HB2 ARG 7 -3.721 7.271 2.940 35 2HB ARG 7 HB1 ARG 7 -4.757 6.996 4.338 36 1HG ARG 7 HG2 ARG 7 -3.425 5.005 4.912 37 2HG ARG 7 HG1 ARG 7 -2.367 5.335 3.539 38 1HD ARG 7 HD2 ARG 7 -1.421 6.142 5.634 39 2HD ARG 7 HD1 ARG 7 -1.758 7.466 4.515 40 HE ARG 7 HE ARG 7 -3.984 7.099 6.135 41 1HH1 ARG 7 HH11 ARG 7 -0.625 8.107 6.525 42 2HH1 ARG 7 HH12 ARG 7 -0.958 9.253 7.744 43 1HH2 ARG 7 HH21 ARG 7 -4.457 8.611 7.834 44 2HH2 ARG 7 HH22 ARG 7 -3.207 9.532 8.532 45 H ASP 8 HN ASP 8 -3.837 6.765 0.890 46 HA ASP 8 HA ASP 8 -3.091 4.647 -0.830 47 1HB ASP 8 HB2 ASP 8 -1.748 7.245 -0.234 48 2HB ASP 8 HB1 ASP 8 -1.155 6.158 -1.488 49 H LEU 9 HN LEU 9 -1.664 3.080 -0.426 50 HA LEU 9 HA LEU 9 -0.109 3.153 1.921 51 1HB LEU 9 HB2 LEU 9 0.074 1.281 -0.432 52 2HB LEU 9 HB1 LEU 9 0.835 1.032 1.129 53 HG LEU 9 HG LEU 9 -2.131 1.146 0.605 54 1HD1 LEU 9 HD11 LEU 9 -2.081 -1.229 1.219 55 2HD1 LEU 9 HD12 LEU 9 -0.324 -1.154 1.351 56 3HD1 LEU 9 HD13 LEU 9 -1.103 -0.903 -0.213 57 1HD2 LEU 9 HD21 LEU 9 -0.609 0.620 3.147 58 2HD2 LEU 9 HD22 LEU 9 -2.369 0.525 2.957 59 3HD2 LEU 9 HD23 LEU 9 -1.530 2.070 2.763 60 H VAL 10 HN VAL 10 0.325 4.454 -1.122 61 HA VAL 10 HA VAL 10 3.158 4.549 -1.166 62 HB VAL 10 HB VAL 10 1.092 6.310 -2.551 63 1HG1 VAL 10 HG11 VAL 10 4.064 6.156 -3.075 64 2HG1 VAL 10 HG12 VAL 10 3.211 7.528 -2.366 65 3HG1 VAL 10 HG13 VAL 10 2.891 7.057 -4.037 66 1HG2 VAL 10 HG21 VAL 10 1.036 3.997 -3.226 67 2HG2 VAL 10 HG22 VAL 10 2.770 4.027 -3.557 68 3HG2 VAL 10 HG23 VAL 10 1.667 5.003 -4.529 69 H LYS 11 HN LYS 11 0.617 6.519 0.198 70 HA LYS 11 HA LYS 11 2.359 8.651 1.032 71 1HB LYS 11 HB2 LYS 11 -0.529 7.989 1.387 72 2HB LYS 11 HB1 LYS 11 0.185 9.204 2.434 73 1HG LYS 11 HG2 LYS 11 -1.025 10.179 0.512 74 2HG LYS 11 HG1 LYS 11 0.680 10.604 0.505 75 1HD LYS 11 HD2 LYS 11 1.124 9.082 -1.264 76 2HD LYS 11 HD1 LYS 11 -0.461 8.345 -1.166 77 1HE LYS 11 HE2 LYS 11 0.145 11.183 -1.988 78 2HE LYS 11 HE1 LYS 11 -0.276 9.863 -3.072 79 1HZ LYS 11 HZ1 LYS 11 -2.476 9.757 -1.869 80 2HZ LYS 11 HZ2 LYS 11 -2.180 11.160 -2.743 81 3HZ LYS 11 HZ3 LYS 11 -2.037 11.201 -1.074 82 H ALA 12 HN ALA 12 2.365 5.676 1.969 83 HA ALA 12 HA ALA 12 2.954 6.307 4.770 84 1HB ALA 12 HB1 ALA 12 1.665 3.779 3.743 85 2HB ALA 12 HB2 ALA 12 0.852 5.058 4.645 86 3HB ALA 12 HB3 ALA 12 2.118 4.100 5.416 87 H VAL 13 HN VAL 13 3.400 3.744 2.317 88 HA VAL 13 HA VAL 13 5.882 2.879 3.407 89 HB VAL 13 HB VAL 13 4.597 2.269 0.727 90 1HG1 VAL 13 HG11 VAL 13 6.987 1.837 0.667 91 2HG1 VAL 13 HG12 VAL 13 6.085 0.320 0.645 92 3HG1 VAL 13 HG13 VAL 13 6.868 0.863 2.133 93 1HG2 VAL 13 HG21 VAL 13 3.901 0.165 1.785 94 2HG2 VAL 13 HG22 VAL 13 3.215 1.571 2.598 95 3HG2 VAL 13 HG23 VAL 13 4.585 0.719 3.313 96 H ALA 14 HN ALA 14 4.998 4.639 0.416 97 HA ALA 14 HA ALA 14 7.705 5.029 -0.330 98 1HB ALA 14 HB1 ALA 14 6.831 6.594 -2.047 99 2HB ALA 14 HB2 ALA 14 5.254 6.555 -1.252 100 3HB ALA 14 HB3 ALA 14 5.885 5.106 -2.001 101 H HIS 15 HN HIS 15 5.517 6.639 1.712 102 HA HIS 15 HA HIS 15 6.784 9.128 1.994 103 1HB HIS 15 HB2 HIS 15 4.525 8.695 2.870 104 2HB HIS 15 HB1 HIS 15 5.184 7.568 4.045 105 HD1 HIS 15 HD1 HIS 15 5.581 8.509 6.274 106 HD2 HIS 15 HD2 HIS 15 5.496 11.478 3.373 107 HE1 HIS 15 HE1 HIS 15 5.746 10.686 7.522 108 HE2 HIS 15 HE2 HIS 15 5.571 12.460 5.784 109 H ILE 16 HN ILE 16 7.589 5.984 3.264 110 HA ILE 16 HA ILE 16 9.525 6.891 5.179 111 HB ILE 16 HB ILE 16 9.012 4.193 3.892 112 1HG1 ILE 16 HG12 ILE 16 7.272 4.888 5.426 113 2HG1 ILE 16 HG11 ILE 16 8.181 3.554 6.127 114 1HG2 ILE 16 HG21 ILE 16 11.007 4.738 6.092 115 2HG2 ILE 16 HG22 ILE 16 11.379 4.273 4.433 116 3HG2 ILE 16 HG23 ILE 16 10.538 3.145 5.486 117 1HD1 ILE 16 HD11 ILE 16 7.667 5.251 7.794 118 2HD1 ILE 16 HD12 ILE 16 8.498 6.469 6.825 119 3HD1 ILE 16 HD13 ILE 16 9.408 5.135 7.532 120 H LEU 17 HN LEU 17 9.483 5.999 1.829 121 HA LEU 17 HA LEU 17 12.360 5.939 1.581 122 1HB LEU 17 HB2 LEU 17 10.274 5.867 -0.591 123 2HB LEU 17 HB1 LEU 17 11.964 5.434 -0.747 124 HG LEU 17 HG LEU 17 9.872 3.949 0.827 125 1HD1 LEU 17 HD11 LEU 17 9.684 3.634 -1.568 126 2HD1 LEU 17 HD12 LEU 17 10.268 2.165 -0.788 127 3HD1 LEU 17 HD13 LEU 17 11.391 3.208 -1.663 128 1HD2 LEU 17 HD21 LEU 17 12.011 3.860 1.967 129 2HD2 LEU 17 HD22 LEU 17 12.801 3.345 0.477 130 3HD2 LEU 17 HD23 LEU 17 11.617 2.297 1.257 131 H GLY 18 HN GLY 18 9.963 8.270 1.510 132 1HA GLY 18 HA2 GLY 18 10.269 10.588 1.370 133 2HA GLY 18 HA1 GLY 18 11.867 10.306 0.690 134 H ILE 19 HN ILE 19 8.939 8.804 -0.475 135 HA ILE 19 HA ILE 19 9.015 10.523 -2.802 136 HB ILE 19 HB ILE 19 8.225 8.363 -4.006 137 1HG1 ILE 19 HG12 ILE 19 10.011 7.188 -1.876 138 2HG1 ILE 19 HG11 ILE 19 8.296 6.874 -2.104 139 1HG2 ILE 19 HG21 ILE 19 11.141 8.957 -3.461 140 2HG2 ILE 19 HG22 ILE 19 10.132 9.681 -4.715 141 3HG2 ILE 19 HG23 ILE 19 10.551 7.973 -4.801 142 1HD1 ILE 19 HD11 ILE 19 8.776 5.807 -4.247 143 2HD1 ILE 19 HD12 ILE 19 9.659 5.038 -2.929 144 3HD1 ILE 19 HD13 ILE 19 10.495 6.135 -4.026 145 H ARG 20 HN ARG 20 7.142 10.729 -3.881 146 HA ARG 20 HA ARG 20 4.724 9.386 -3.025 147 1HB ARG 20 HB2 ARG 20 4.981 11.450 -1.534 148 2HB ARG 20 HB1 ARG 20 4.787 12.415 -2.992 149 1HG ARG 20 HG2 ARG 20 2.590 11.354 -3.362 150 2HG ARG 20 HG1 ARG 20 2.782 10.483 -1.844 151 1HD ARG 20 HD2 ARG 20 1.420 12.363 -1.384 152 2HD ARG 20 HD1 ARG 20 3.007 12.713 -0.709 153 HE ARG 20 HE ARG 20 2.933 13.730 -3.287 154 1HH1 ARG 20 HH11 ARG 20 1.378 14.354 -0.116 155 2HH1 ARG 20 HH12 ARG 20 1.017 15.973 -0.486 156 1HH2 ARG 20 HH21 ARG 20 2.355 16.011 -3.756 157 2HH2 ARG 20 HH22 ARG 20 1.571 16.908 -2.527 158 H ASP 21 HN ASP 21 6.458 11.610 -5.048 159 HA ASP 21 HA ASP 21 4.580 11.954 -7.169 160 1HB ASP 21 HB2 ASP 21 6.359 13.540 -6.833 161 2HB ASP 21 HB1 ASP 21 7.570 12.274 -6.957 162 H LEU 22 HN LEU 22 7.553 10.056 -7.356 163 HA LEU 22 HA LEU 22 7.969 8.069 -8.332 164 1HB LEU 22 HB2 LEU 22 4.997 7.769 -8.060 165 2HB LEU 22 HB1 LEU 22 5.970 6.572 -8.885 166 HG LEU 22 HG LEU 22 5.450 5.928 -6.658 167 1HD1 LEU 22 HD11 LEU 22 8.350 6.614 -7.080 168 2HD1 LEU 22 HD12 LEU 22 7.523 5.155 -7.617 169 3HD1 LEU 22 HD13 LEU 22 7.774 5.445 -5.889 170 1HD2 LEU 22 HD21 LEU 22 6.445 7.030 -4.696 171 2HD2 LEU 22 HD22 LEU 22 5.274 8.055 -5.531 172 3HD2 LEU 22 HD23 LEU 22 7.003 8.335 -5.742 173 H ALA 23 HN ALA 23 7.053 10.577 -9.957 174 HA ALA 23 HA ALA 23 6.290 9.283 -12.363 175 1HB ALA 23 HB1 ALA 23 5.327 11.452 -11.839 176 2HB ALA 23 HB2 ALA 23 6.245 11.542 -13.342 177 3HB ALA 23 HB3 ALA 23 6.930 12.186 -11.848 178 H GLY 24 HN GLY 24 9.030 9.826 -10.750 179 1HA GLY 24 HA2 GLY 24 10.763 9.639 -13.155 180 2HA GLY 24 HA1 GLY 24 11.219 10.440 -11.645 181 H ILE 25 HN ILE 25 9.959 8.414 -10.020 182 HA ILE 25 HA ILE 25 12.192 6.661 -9.742 183 HB ILE 25 HB ILE 25 9.470 6.551 -8.393 184 1HG1 ILE 25 HG12 ILE 25 10.618 8.686 -7.984 185 2HG1 ILE 25 HG11 ILE 25 10.495 7.721 -6.523 186 1HG2 ILE 25 HG21 ILE 25 12.067 5.247 -7.564 187 2HG2 ILE 25 HG22 ILE 25 10.637 4.421 -8.180 188 3HG2 ILE 25 HG23 ILE 25 10.574 5.248 -6.621 189 1HD1 ILE 25 HD11 ILE 25 12.818 7.053 -6.762 190 2HD1 ILE 25 HD12 ILE 25 12.647 8.809 -6.691 191 3HD1 ILE 25 HD13 ILE 25 12.945 8.010 -8.241 192 H ASN 26 HN ASN 26 12.220 4.440 -10.060 193 HA ASN 26 HA ASN 26 10.745 3.564 -12.327 194 1HB ASN 26 HB2 ASN 26 12.806 2.213 -10.624 195 2HB ASN 26 HB1 ASN 26 11.881 1.302 -11.813 196 1HD2 ASN 26 HD21 ASN 26 11.722 3.496 -13.726 197 2HD2 ASN 26 HD22 ASN 26 13.300 3.660 -14.399 198 H LEU 27 HN LEU 27 8.974 2.693 -12.448 199 HA LEU 27 HA LEU 27 7.695 1.528 -10.077 200 1HB LEU 27 HB2 LEU 27 6.497 2.381 -12.716 201 2HB LEU 27 HB1 LEU 27 5.602 1.810 -11.318 202 HG LEU 27 HG LEU 27 7.187 4.363 -11.499 203 1HD1 LEU 27 HD11 LEU 27 4.219 3.872 -11.337 204 2HD1 LEU 27 HD12 LEU 27 5.108 4.456 -12.743 205 3HD1 LEU 27 HD13 LEU 27 5.006 5.448 -11.288 206 1HD2 LEU 27 HD21 LEU 27 6.280 4.845 -9.273 207 2HD2 LEU 27 HD22 LEU 27 7.311 3.413 -9.263 208 3HD2 LEU 27 HD23 LEU 27 5.555 3.238 -9.227 209 H ASP 28 HN ASP 28 9.524 0.655 -12.529 210 HA ASP 28 HA ASP 28 8.167 -1.868 -13.231 211 1HB ASP 28 HB2 ASP 28 10.779 -0.718 -14.288 212 2HB ASP 28 HB1 ASP 28 9.943 -2.133 -14.910 213 H SER 29 HN SER 29 9.481 -0.976 -10.687 214 HA SER 29 HA SER 29 11.833 -2.521 -10.318 215 1HB SER 29 HB2 SER 29 11.353 -1.600 -7.961 216 2HB SER 29 HB1 SER 29 11.745 -0.441 -9.215 217 HG SER 29 HG SER 29 9.934 0.447 -8.672 218 H SER 30 HN SER 30 11.518 -3.573 -7.857 219 HA SER 30 HA SER 30 9.323 -5.486 -8.076 220 1HB SER 30 HB2 SER 30 11.968 -5.490 -6.656 221 2HB SER 30 HB1 SER 30 10.879 -6.809 -6.452 222 HG SER 30 HG SER 30 11.479 -6.080 -9.088 223 H LEU 31 HN LEU 31 11.344 -3.824 -5.763 224 HA LEU 31 HA LEU 31 10.162 -2.132 -4.269 225 1HB LEU 31 HB2 LEU 31 8.115 -3.674 -3.983 226 2HB LEU 31 HB1 LEU 31 9.141 -4.734 -3.039 227 HG LEU 31 HG LEU 31 9.464 -2.959 -1.369 228 1HD1 LEU 31 HD11 LEU 31 7.534 -1.439 -3.068 229 2HD1 LEU 31 HD12 LEU 31 9.262 -1.070 -2.879 230 3HD1 LEU 31 HD13 LEU 31 8.159 -0.920 -1.495 231 1HD2 LEU 31 HD21 LEU 31 6.568 -3.427 -2.040 232 2HD2 LEU 31 HD22 LEU 31 7.203 -2.896 -0.480 233 3HD2 LEU 31 HD23 LEU 31 7.597 -4.501 -1.093 234 H ALA 32 HN ALA 32 11.364 -5.317 -4.085 235 HA ALA 32 HA ALA 32 12.886 -5.079 -1.714 236 1HB ALA 32 HB1 ALA 32 14.025 -7.124 -2.415 237 2HB ALA 32 HB2 ALA 32 13.339 -6.933 -4.036 238 3HB ALA 32 HB3 ALA 32 12.282 -7.237 -2.664 239 H ASP 33 HN ASP 33 13.505 -4.436 -5.044 240 HA ASP 33 HA ASP 33 16.241 -4.264 -4.902 241 1HB ASP 33 HB2 ASP 33 15.980 -3.113 -7.181 242 2HB ASP 33 HB1 ASP 33 15.297 -4.723 -7.017 243 H LEU 34 HN LEU 34 13.754 -2.230 -3.981 244 HA LEU 34 HA LEU 34 15.089 0.330 -4.126 245 1HB LEU 34 HB2 LEU 34 12.484 -0.617 -2.949 246 2HB LEU 34 HB1 LEU 34 13.074 1.001 -2.689 247 HG LEU 34 HG LEU 34 12.714 1.598 -4.989 248 1HD1 LEU 34 HD11 LEU 34 11.990 0.022 -6.691 249 2HD1 LEU 34 HD12 LEU 34 12.067 -1.304 -5.532 250 3HD1 LEU 34 HD13 LEU 34 13.541 -0.505 -6.042 251 1HD2 LEU 34 HD21 LEU 34 10.354 1.033 -5.281 252 2HD2 LEU 34 HD22 LEU 34 10.743 1.553 -3.624 253 3HD2 LEU 34 HD23 LEU 34 10.531 -0.165 -3.992 254 H GLY 35 HN GLY 35 15.105 -2.337 -2.049 255 1HA GLY 35 HA2 GLY 35 16.892 -2.061 -0.307 256 2HA GLY 35 HA1 GLY 35 15.961 -0.668 0.224 257 H LEU 36 HN LEU 36 13.684 -2.835 -0.706 258 HA LEU 36 HA LEU 36 13.063 -3.485 1.958 259 1HB LEU 36 HB2 LEU 36 11.138 -3.395 0.857 260 2HB LEU 36 HB1 LEU 36 11.707 -4.061 -0.632 261 HG LEU 36 HG LEU 36 11.677 -6.338 0.554 262 1HD1 LEU 36 HD11 LEU 36 10.254 -6.566 2.518 263 2HD1 LEU 36 HD12 LEU 36 10.129 -4.808 2.622 264 3HD1 LEU 36 HD13 LEU 36 11.690 -5.595 2.839 265 1HD2 LEU 36 HD21 LEU 36 9.957 -5.718 -1.015 266 2HD2 LEU 36 HD22 LEU 36 9.077 -4.867 0.252 267 3HD2 LEU 36 HD23 LEU 36 9.260 -6.619 0.332 268 H ASP 37 HN ASP 37 13.899 -4.768 3.154 269 HA ASP 37 HA ASP 37 14.286 -7.529 2.403 270 1HB ASP 37 HB2 ASP 37 16.521 -6.504 2.045 271 2HB ASP 37 HB1 ASP 37 16.505 -5.929 3.705 272 H SER 38 HN SER 38 14.021 -4.962 4.794 273 HA SER 38 HA SER 38 12.666 -6.898 6.467 274 1HB SER 38 HB2 SER 38 14.863 -5.101 7.493 275 2HB SER 38 HB1 SER 38 13.804 -6.090 8.502 276 HG SER 38 HG SER 38 14.771 -7.645 6.620 277 H LEU 39 HN LEU 39 13.629 -3.478 7.041 278 HA LEU 39 HA LEU 39 11.262 -2.826 8.345 279 1HB LEU 39 HB2 LEU 39 13.430 -1.615 8.542 280 2HB LEU 39 HB1 LEU 39 13.185 -0.942 6.956 281 HG LEU 39 HG LEU 39 12.802 0.619 8.883 282 1HD1 LEU 39 HD11 LEU 39 11.877 1.175 6.723 283 2HD1 LEU 39 HD12 LEU 39 10.788 1.682 8.014 284 3HD1 LEU 39 HD13 LEU 39 10.433 0.227 7.077 285 1HD2 LEU 39 HD21 LEU 39 11.742 -0.907 10.429 286 2HD2 LEU 39 HD22 LEU 39 10.364 -1.089 9.343 287 3HD2 LEU 39 HD23 LEU 39 10.679 0.467 10.114 288 H MET 40 HN MET 40 11.981 -2.601 4.908 289 HA MET 40 HA MET 40 9.566 -1.087 4.277 290 1HB MET 40 HB2 MET 40 11.445 -2.561 2.441 291 2HB MET 40 HB1 MET 40 10.203 -1.409 1.960 292 1HG MET 40 HG2 MET 40 11.366 0.372 3.126 293 2HG MET 40 HG1 MET 40 12.600 -0.749 3.671 294 1HE MET 40 HE1 MET 40 14.696 0.338 2.744 295 2HE MET 40 HE2 MET 40 13.689 1.745 2.403 296 3HE MET 40 HE3 MET 40 14.790 1.128 1.171 297 H GLY 41 HN GLY 41 9.867 -4.081 5.320 298 1HA GLY 41 HA2 GLY 41 7.395 -4.853 3.913 299 2HA GLY 41 HA1 GLY 41 8.529 -6.008 4.622 300 H VAL 42 HN VAL 42 9.049 -4.420 6.928 301 HA VAL 42 HA VAL 42 7.047 -5.286 8.716 302 HB VAL 42 HB VAL 42 9.261 -3.237 9.080 303 1HG1 VAL 42 HG11 VAL 42 8.954 -3.535 11.499 304 2HG1 VAL 42 HG12 VAL 42 7.520 -4.524 11.179 305 3HG1 VAL 42 HG13 VAL 42 7.552 -2.823 10.703 306 1HG2 VAL 42 HG21 VAL 42 10.415 -5.033 10.278 307 2HG2 VAL 42 HG22 VAL 42 10.089 -5.463 8.600 308 3HG2 VAL 42 HG23 VAL 42 9.094 -6.138 9.892 309 H GLU 43 HN GLU 43 7.842 -2.034 7.541 310 HA GLU 43 HA GLU 43 5.840 -0.590 8.861 311 1HB GLU 43 HB2 GLU 43 7.736 0.388 7.627 312 2HB GLU 43 HB1 GLU 43 6.982 -0.106 6.121 313 1HG GLU 43 HG2 GLU 43 6.663 2.184 6.560 314 2HG GLU 43 HG1 GLU 43 5.084 1.376 6.573 315 H VAL 44 HN VAL 44 5.816 -2.306 5.833 316 HA VAL 44 HA VAL 44 3.259 -1.552 4.902 317 HB VAL 44 HB VAL 44 4.865 -4.065 4.332 318 1HG1 VAL 44 HG11 VAL 44 2.546 -4.332 3.700 319 2HG1 VAL 44 HG12 VAL 44 3.608 -4.196 2.285 320 3HG1 VAL 44 HG13 VAL 44 2.620 -2.815 2.783 321 1HG2 VAL 44 HG21 VAL 44 5.603 -2.887 2.331 322 2HG2 VAL 44 HG22 VAL 44 6.092 -2.047 3.803 323 3HG2 VAL 44 HG23 VAL 44 4.728 -1.450 2.856 324 H ARG 45 HN ARG 45 4.385 -4.390 6.687 325 HA ARG 45 HA ARG 45 1.858 -5.571 6.943 326 1HB ARG 45 HB2 ARG 45 4.431 -5.936 8.422 327 2HB ARG 45 HB1 ARG 45 3.006 -6.852 8.874 328 1HG ARG 45 HG2 ARG 45 2.873 -7.725 6.578 329 2HG ARG 45 HG1 ARG 45 4.335 -6.828 6.173 330 1HD ARG 45 HD2 ARG 45 4.161 -8.918 8.328 331 2HD ARG 45 HD1 ARG 45 4.696 -9.236 6.682 332 HE ARG 45 HE ARG 45 6.386 -7.379 7.267 333 1HH1 ARG 45 HH11 ARG 45 5.183 -9.806 9.538 334 2HH1 ARG 45 HH12 ARG 45 6.671 -10.060 10.321 335 1HH2 ARG 45 HH21 ARG 45 8.543 -7.765 8.371 336 2HH2 ARG 45 HH22 ARG 45 8.558 -8.799 9.706 337 H GLN 46 HN GLN 46 3.515 -3.211 8.914 338 HA GLN 46 HA GLN 46 1.573 -3.329 10.989 339 1HB GLN 46 HB2 GLN 46 3.682 -1.276 10.343 340 2HB GLN 46 HB1 GLN 46 2.595 -1.117 11.710 341 1HG GLN 46 HG2 GLN 46 3.460 -3.221 12.622 342 2HG GLN 46 HG1 GLN 46 4.573 -3.337 11.257 343 1HE2 GLN 46 HE21 GLN 46 3.739 -1.526 14.101 344 2HE2 GLN 46 HE22 GLN 46 5.266 -0.723 14.294 345 H ILE 47 HN ILE 47 1.224 -2.299 7.955 346 HA ILE 47 HA ILE 47 -0.829 -0.339 8.706 347 HB ILE 47 HB ILE 47 0.208 -1.036 5.929 348 1HG1 ILE 47 HG12 ILE 47 0.714 1.463 7.537 349 2HG1 ILE 47 HG11 ILE 47 1.855 0.122 7.448 350 1HG2 ILE 47 HG21 ILE 47 -2.101 -0.223 5.936 351 2HG2 ILE 47 HG22 ILE 47 -1.022 0.980 5.229 352 3HG2 ILE 47 HG23 ILE 47 -1.616 1.189 6.874 353 1HD1 ILE 47 HD11 ILE 47 2.036 0.460 5.033 354 2HD1 ILE 47 HD12 ILE 47 2.468 1.914 5.930 355 3HD1 ILE 47 HD13 ILE 47 0.897 1.801 5.139 356 H LEU 48 HN LEU 48 -0.319 -3.037 6.476 357 HA LEU 48 HA LEU 48 -3.087 -3.433 6.093 358 1HB LEU 48 HB2 LEU 48 -0.732 -5.161 5.371 359 2HB LEU 48 HB1 LEU 48 -2.378 -5.635 5.021 360 HG LEU 48 HG LEU 48 -1.459 -4.770 3.025 361 1HD1 LEU 48 HD11 LEU 48 -2.886 -2.877 2.499 362 2HD1 LEU 48 HD12 LEU 48 -3.197 -2.647 4.216 363 3HD1 LEU 48 HD13 LEU 48 -3.747 -4.123 3.413 364 1HD2 LEU 48 HD21 LEU 48 0.430 -3.519 3.907 365 2HD2 LEU 48 HD22 LEU 48 -0.660 -2.288 4.545 366 3HD2 LEU 48 HD23 LEU 48 -0.508 -2.513 2.802 367 H GLU 49 HN GLU 49 -0.750 -5.274 8.038 368 HA GLU 49 HA GLU 49 -2.708 -7.150 8.938 369 1HB GLU 49 HB2 GLU 49 -0.376 -7.810 8.737 370 2HB GLU 49 HB1 GLU 49 0.099 -6.569 9.880 371 1HG GLU 49 HG2 GLU 49 -1.331 -7.769 11.580 372 2HG GLU 49 HG1 GLU 49 -1.445 -9.087 10.415 373 H ARG 50 HN ARG 50 -1.214 -4.289 10.216 374 HA ARG 50 HA ARG 50 -2.334 -4.695 12.802 375 1HB ARG 50 HB2 ARG 50 -0.164 -3.565 12.371 376 2HB ARG 50 HB1 ARG 50 -1.050 -2.205 11.714 377 1HG ARG 50 HG2 ARG 50 -0.290 -1.785 13.988 378 2HG ARG 50 HG1 ARG 50 -2.049 -1.771 13.882 379 1HD ARG 50 HD2 ARG 50 -0.583 -4.270 14.679 380 2HD ARG 50 HD1 ARG 50 -0.901 -3.009 15.866 381 HE ARG 50 HE ARG 50 -3.265 -3.250 15.139 382 1HH1 ARG 50 HH11 ARG 50 -1.027 -6.057 15.054 383 2HH1 ARG 50 HH12 ARG 50 -2.230 -7.193 15.388 384 1HH2 ARG 50 HH21 ARG 50 -4.940 -4.915 15.558 385 2HH2 ARG 50 HH22 ARG 50 -4.521 -6.552 15.620 386 H GLU 51 HN GLU 51 -3.290 -2.677 10.010 387 HA GLU 51 HA GLU 51 -5.399 -1.552 11.638 388 1HB GLU 51 HB2 GLU 51 -4.976 -1.206 8.677 389 2HB GLU 51 HB1 GLU 51 -6.074 -0.288 9.688 390 1HG GLU 51 HG2 GLU 51 -4.099 0.544 10.938 391 2HG GLU 51 HG1 GLU 51 -3.079 -0.257 9.743 392 H HIS 52 HN HIS 52 -5.178 -3.838 8.900 393 HA HIS 52 HA HIS 52 -8.083 -4.306 9.245 394 1HB HIS 52 HB2 HIS 52 -6.503 -4.261 6.667 395 2HB HIS 52 HB1 HIS 52 -8.132 -4.896 6.785 396 HD1 HIS 52 HD1 HIS 52 -9.756 -3.242 5.896 397 HD2 HIS 52 HD2 HIS 52 -6.550 -1.387 7.769 398 HE1 HIS 52 HE1 HIS 52 -10.185 -0.766 5.711 399 HE2 HIS 52 HE2 HIS 52 -8.227 0.321 6.920 400 H ASP 53 HN ASP 53 -5.353 -5.765 9.967 401 HA ASP 53 HA ASP 53 -4.601 -7.841 10.291 402 1HB ASP 53 HB2 ASP 53 -7.484 -8.210 10.414 403 2HB ASP 53 HB1 ASP 53 -6.647 -9.676 9.914 404 H LEU 54 HN LEU 54 -4.720 -6.824 7.509 405 HA LEU 54 HA LEU 54 -4.751 -9.284 5.976 406 1HB LEU 54 HB2 LEU 54 -4.206 -6.418 5.258 407 2HB LEU 54 HB1 LEU 54 -3.621 -7.680 4.204 408 HG LEU 54 HG LEU 54 -5.933 -8.445 3.842 409 1HD1 LEU 54 HD11 LEU 54 -7.820 -7.077 4.559 410 2HD1 LEU 54 HD12 LEU 54 -6.725 -6.063 5.501 411 3HD1 LEU 54 HD13 LEU 54 -6.947 -7.756 5.933 412 1HD2 LEU 54 HD21 LEU 54 -4.940 -6.872 2.306 413 2HD2 LEU 54 HD22 LEU 54 -5.470 -5.521 3.307 414 3HD2 LEU 54 HD23 LEU 54 -6.662 -6.537 2.492 415 H VAL 55 HN VAL 55 -3.229 -10.622 6.605 416 HA VAL 55 HA VAL 55 -0.599 -9.623 7.221 417 HB VAL 55 HB VAL 55 -1.510 -12.516 7.132 418 1HG1 VAL 55 HG11 VAL 55 0.454 -12.945 8.536 419 2HG1 VAL 55 HG12 VAL 55 0.905 -11.242 8.415 420 3HG1 VAL 55 HG13 VAL 55 0.906 -12.258 6.974 421 1HG2 VAL 55 HG21 VAL 55 -1.710 -12.360 9.577 422 2HG2 VAL 55 HG22 VAL 55 -2.828 -11.263 8.764 423 3HG2 VAL 55 HG23 VAL 55 -1.348 -10.635 9.490 424 H LEU 56 HN LEU 56 0.050 -8.822 5.331 425 HA LEU 56 HA LEU 56 0.482 -10.707 3.136 426 1HB LEU 56 HB2 LEU 56 0.971 -7.730 3.177 427 2HB LEU 56 HB1 LEU 56 1.005 -8.773 1.785 428 HG LEU 56 HG LEU 56 -1.477 -8.078 3.361 429 1HD1 LEU 56 HD11 LEU 56 -0.553 -7.193 0.636 430 2HD1 LEU 56 HD12 LEU 56 -0.648 -6.193 2.085 431 3HD1 LEU 56 HD13 LEU 56 -2.121 -6.832 1.358 432 1HD2 LEU 56 HD21 LEU 56 -2.690 -9.210 1.565 433 2HD2 LEU 56 HD22 LEU 56 -1.600 -10.322 2.390 434 3HD2 LEU 56 HD23 LEU 56 -1.160 -9.668 0.812 435 HA PRO 57 HA PRO 57 4.575 -10.758 5.063 436 1HB PRO 57 HB2 PRO 57 5.009 -13.079 3.357 437 2HB PRO 57 HB1 PRO 57 4.972 -13.005 5.123 438 1HG PRO 57 HG2 PRO 57 3.047 -14.236 3.676 439 2HG PRO 57 HG1 PRO 57 2.695 -13.408 5.207 440 1HD PRO 57 HD2 PRO 57 2.311 -12.454 2.396 441 2HD PRO 57 HD1 PRO 57 1.214 -12.328 3.793 442 H ILE 58 HN ILE 58 6.788 -10.901 4.076 443 HA ILE 58 HA ILE 58 6.946 -9.054 1.970 444 HB ILE 58 HB ILE 58 9.098 -10.717 3.334 445 1HG1 ILE 58 HG12 ILE 58 9.911 -8.464 4.110 446 2HG1 ILE 58 HG11 ILE 58 8.484 -7.752 3.373 447 1HG2 ILE 58 HG21 ILE 58 9.868 -10.419 1.063 448 2HG2 ILE 58 HG22 ILE 58 10.827 -9.437 2.174 449 3HG2 ILE 58 HG23 ILE 58 9.586 -8.681 1.170 450 1HD1 ILE 58 HD11 ILE 58 7.074 -9.010 4.926 451 2HD1 ILE 58 HD12 ILE 58 8.234 -7.984 5.772 452 3HD1 ILE 58 HD13 ILE 58 8.518 -9.719 5.647 453 H ARG 59 HN ARG 59 6.837 -12.457 2.003 454 HA ARG 59 HA ARG 59 7.853 -13.261 -0.466 455 1HB ARG 59 HB2 ARG 59 5.238 -14.229 0.758 456 2HB ARG 59 HB1 ARG 59 6.051 -15.005 -0.575 457 1HG ARG 59 HG2 ARG 59 6.385 -16.276 1.437 458 2HG ARG 59 HG1 ARG 59 7.927 -15.566 0.964 459 1HD ARG 59 HD2 ARG 59 7.850 -13.995 2.687 460 2HD ARG 59 HD1 ARG 59 6.125 -14.215 2.933 461 HE ARG 59 HE ARG 59 6.652 -16.391 3.867 462 1HH1 ARG 59 HH11 ARG 59 9.379 -14.189 3.564 463 2HH1 ARG 59 HH12 ARG 59 10.081 -14.590 5.061 464 1HH2 ARG 59 HH21 ARG 59 7.573 -16.918 5.979 465 2HH2 ARG 59 HH22 ARG 59 9.011 -16.163 6.485 466 H GLU 60 HN GLU 60 4.811 -11.656 0.246 467 HA GLU 60 HA GLU 60 4.059 -11.619 -2.605 468 1HB GLU 60 HB2 GLU 60 2.437 -11.068 -0.115 469 2HB GLU 60 HB1 GLU 60 1.794 -11.079 -1.751 470 1HG GLU 60 HG2 GLU 60 2.350 -13.447 -1.962 471 2HG GLU 60 HG1 GLU 60 3.056 -13.437 -0.353 472 H VAL 61 HN VAL 61 4.763 -9.555 0.137 473 HA VAL 61 HA VAL 61 3.986 -7.127 -1.100 474 HB VAL 61 HB VAL 61 5.846 -7.639 1.251 475 1HG1 VAL 61 HG11 VAL 61 5.554 -5.284 1.843 476 2HG1 VAL 61 HG12 VAL 61 4.636 -5.018 0.362 477 3HG1 VAL 61 HG13 VAL 61 6.347 -5.441 0.275 478 1HG2 VAL 61 HG21 VAL 61 2.974 -6.759 1.113 479 2HG2 VAL 61 HG22 VAL 61 3.929 -6.927 2.589 480 3HG2 VAL 61 HG23 VAL 61 3.558 -8.347 1.604 481 H ARG 62 HN ARG 62 6.864 -9.030 -1.306 482 HA ARG 62 HA ARG 62 8.715 -7.009 -1.923 483 1HB ARG 62 HB2 ARG 62 9.061 -9.436 -1.148 484 2HB ARG 62 HB1 ARG 62 8.982 -9.833 -2.856 485 1HG ARG 62 HG2 ARG 62 10.839 -8.436 -3.320 486 2HG ARG 62 HG1 ARG 62 10.886 -7.862 -1.659 487 1HD ARG 62 HD2 ARG 62 12.584 -9.526 -1.877 488 2HD ARG 62 HD1 ARG 62 11.267 -10.268 -0.967 489 HE ARG 62 HE ARG 62 11.014 -10.712 -3.759 490 1HH1 ARG 62 HH11 ARG 62 12.664 -11.975 -0.851 491 2HH1 ARG 62 HH12 ARG 62 13.076 -13.450 -1.593 492 1HH2 ARG 62 HH21 ARG 62 11.542 -12.710 -4.713 493 2HH2 ARG 62 HH22 ARG 62 12.381 -13.909 -3.849 494 H GLN 63 HN GLN 63 6.199 -8.107 -3.826 495 HA GLN 63 HA GLN 63 7.622 -7.374 -6.280 496 1HB GLN 63 HB2 GLN 63 5.100 -9.015 -5.948 497 2HB GLN 63 HB1 GLN 63 5.653 -8.457 -7.503 498 1HG GLN 63 HG2 GLN 63 6.368 -10.652 -7.423 499 2HG GLN 63 HG1 GLN 63 7.805 -9.757 -6.942 500 1HE2 GLN 63 HE21 GLN 63 5.057 -10.317 -4.849 501 2HE2 GLN 63 HE22 GLN 63 5.892 -11.411 -3.798 502 H LEU 64 HN LEU 64 5.910 -5.900 -4.040 503 HA LEU 64 HA LEU 64 3.898 -4.644 -5.705 504 1HB LEU 64 HB2 LEU 64 4.763 -3.916 -2.905 505 2HB LEU 64 HB1 LEU 64 3.351 -3.298 -3.738 506 HG LEU 64 HG LEU 64 3.821 -6.103 -2.793 507 1HD1 LEU 64 HD11 LEU 64 1.873 -3.996 -1.883 508 2HD1 LEU 64 HD12 LEU 64 3.284 -4.581 -1.000 509 3HD1 LEU 64 HD13 LEU 64 1.921 -5.659 -1.297 510 1HD2 LEU 64 HD21 LEU 64 2.566 -6.159 -4.878 511 2HD2 LEU 64 HD22 LEU 64 1.428 -4.969 -4.243 512 3HD2 LEU 64 HD23 LEU 64 1.514 -6.576 -3.525 513 H THR 65 HN THR 65 4.627 -3.348 -7.198 514 HA THR 65 HA THR 65 7.186 -2.167 -7.266 515 HB THR 65 HB THR 65 6.312 -1.335 -9.438 516 HG1 THR 65 HG1 THR 65 4.198 -1.377 -9.740 517 1HG2 THR 65 HG21 THR 65 5.642 -4.183 -8.800 518 2HG2 THR 65 HG22 THR 65 7.285 -3.600 -9.025 519 3HG2 THR 65 HG23 THR 65 6.138 -3.549 -10.382 520 H LEU 66 HN LEU 66 5.926 -1.074 -5.096 521 HA LEU 66 HA LEU 66 5.619 0.803 -3.949 522 1HB LEU 66 HB2 LEU 66 7.706 1.417 -5.360 523 2HB LEU 66 HB1 LEU 66 6.616 2.403 -6.305 524 HG LEU 66 HG LEU 66 7.877 3.722 -4.666 525 1HD1 LEU 66 HD11 LEU 66 6.025 4.912 -3.625 526 2HD1 LEU 66 HD12 LEU 66 4.954 3.559 -4.035 527 3HD1 LEU 66 HD13 LEU 66 5.697 4.511 -5.316 528 1HD2 LEU 66 HD21 LEU 66 8.184 2.023 -2.963 529 2HD2 LEU 66 HD22 LEU 66 6.459 2.043 -2.605 530 3HD2 LEU 66 HD23 LEU 66 7.444 3.467 -2.271 531 H ARG 67 HN ARG 67 4.647 1.595 -7.277 532 HA ARG 67 HA ARG 67 2.438 3.088 -6.249 533 1HB ARG 67 HB2 ARG 67 3.405 2.555 -9.010 534 2HB ARG 67 HB1 ARG 67 1.746 3.100 -8.789 535 1HG ARG 67 HG2 ARG 67 4.202 4.524 -7.787 536 2HG ARG 67 HG1 ARG 67 3.250 4.977 -9.208 537 1HD ARG 67 HD2 ARG 67 1.257 5.199 -7.720 538 2HD ARG 67 HD1 ARG 67 2.292 4.854 -6.367 539 HE ARG 67 HE ARG 67 3.371 6.890 -6.585 540 1HH1 ARG 67 HH11 ARG 67 0.840 6.644 -9.097 541 2HH1 ARG 67 HH12 ARG 67 0.533 8.318 -9.116 542 1HH2 ARG 67 HH21 ARG 67 2.908 9.213 -6.645 543 2HH2 ARG 67 HH22 ARG 67 1.756 9.799 -7.731 544 H LYS 68 HN LYS 68 2.903 -0.144 -6.982 545 HA LYS 68 HA LYS 68 0.158 -0.751 -7.415 546 1HB LYS 68 HB2 LYS 68 2.043 -2.332 -7.969 547 2HB LYS 68 HB1 LYS 68 2.256 -2.580 -6.237 548 1HG LYS 68 HG2 LYS 68 0.098 -3.556 -6.035 549 2HG LYS 68 HG1 LYS 68 -0.292 -3.156 -7.705 550 1HD LYS 68 HD2 LYS 68 1.504 -4.641 -8.460 551 2HD LYS 68 HD1 LYS 68 1.850 -5.043 -6.772 552 1HE LYS 68 HE2 LYS 68 -0.323 -5.975 -6.491 553 2HE LYS 68 HE1 LYS 68 -0.820 -5.442 -8.094 554 1HZ LYS 68 HZ1 LYS 68 -0.261 -7.813 -8.091 555 2HZ LYS 68 HZ2 LYS 68 1.324 -7.456 -7.578 556 3HZ LYS 68 HZ3 LYS 68 0.789 -6.938 -9.068 557 H LEU 69 HN LEU 69 2.057 -0.022 -4.736 558 HA LEU 69 HA LEU 69 0.509 -1.014 -2.588 559 1HB LEU 69 HB2 LEU 69 2.323 1.372 -2.760 560 2HB LEU 69 HB1 LEU 69 1.338 1.138 -1.338 561 HG LEU 69 HG LEU 69 3.553 0.369 -0.910 562 1HD1 LEU 69 HD11 LEU 69 3.144 -1.939 -0.237 563 2HD1 LEU 69 HD12 LEU 69 1.691 -1.955 -1.239 564 3HD1 LEU 69 HD13 LEU 69 1.792 -0.870 0.146 565 1HD2 LEU 69 HD21 LEU 69 4.593 -1.472 -2.140 566 2HD2 LEU 69 HD22 LEU 69 4.295 -0.079 -3.182 567 3HD2 LEU 69 HD23 LEU 69 3.232 -1.485 -3.260 568 H GLN 70 HN GLN 70 0.095 1.989 -4.439 569 HA GLN 70 HA GLN 70 -2.158 2.699 -2.767 570 1HB GLN 70 HB2 GLN 70 -2.456 4.644 -4.243 571 2HB GLN 70 HB1 GLN 70 -0.828 4.540 -3.594 572 1HG GLN 70 HG2 GLN 70 0.077 3.916 -5.581 573 2HG GLN 70 HG1 GLN 70 -1.478 3.441 -6.299 574 1HE2 GLN 70 HE21 GLN 70 -1.301 4.710 -8.024 575 2HE2 GLN 70 HE22 GLN 70 -1.346 6.435 -7.992 576 H GLU 71 HN GLU 71 -1.759 0.535 -5.173 577 HA GLU 71 HA GLU 71 -4.429 0.915 -6.272 578 1HB GLU 71 HB2 GLU 71 -2.348 0.217 -7.653 579 2HB GLU 71 HB1 GLU 71 -2.493 -1.340 -6.856 580 1HG GLU 71 HG2 GLU 71 -3.508 -1.449 -9.027 581 2HG GLU 71 HG1 GLU 71 -4.767 -1.566 -7.795 582 H MET 72 HN MET 72 -2.859 -0.444 -3.714 583 HA MET 72 HA MET 72 -5.008 -2.378 -3.141 584 1HB MET 72 HB2 MET 72 -2.118 -2.396 -2.207 585 2HB MET 72 HB1 MET 72 -3.343 -3.565 -1.751 586 1HG MET 72 HG2 MET 72 -2.220 -3.160 -4.525 587 2HG MET 72 HG1 MET 72 -1.817 -4.459 -3.414 588 1HE MET 72 HE1 MET 72 -3.478 -6.397 -2.703 589 2HE MET 72 HE2 MET 72 -5.170 -6.464 -3.207 590 3HE MET 72 HE3 MET 72 -4.620 -5.181 -2.130 591 H SER 73 HN SER 73 -4.770 0.553 -2.688 592 HA SER 73 HA SER 73 -3.927 1.004 -0.029 593 1HB SER 73 HB2 SER 73 -4.800 3.311 -0.457 594 2HB SER 73 HB1 SER 73 -3.657 2.698 -1.647 595 HG SER 73 HG SER 73 -5.400 3.638 -2.721 596 H SER 74 HN SER 74 -6.851 -0.020 -1.440 597 HA SER 74 HA SER 74 -8.821 -0.742 -0.601 598 1HB SER 74 HB2 SER 74 -7.744 -0.011 2.139 599 2HB SER 74 HB1 SER 74 -9.161 -1.013 1.814 600 HG SER 74 HG SER 74 -6.580 -1.640 1.896 601 H LYS 75 HN LYS 75 -8.180 2.156 -1.179 602 HA LYS 75 HA LYS 75 -9.877 3.755 0.395 603 1HB LYS 75 HB2 LYS 75 -8.981 4.145 -2.438 604 2HB LYS 75 HB1 LYS 75 -9.912 5.323 -1.530 605 1HG LYS 75 HG2 LYS 75 -8.051 5.403 0.111 606 2HG LYS 75 HG1 LYS 75 -7.118 4.381 -0.998 607 1HD LYS 75 HD2 LYS 75 -7.449 6.013 -2.776 608 2HD LYS 75 HD1 LYS 75 -8.344 7.048 -1.661 609 1HE LYS 75 HE2 LYS 75 -6.347 7.219 -0.264 610 2HE LYS 75 HE1 LYS 75 -5.470 6.213 -1.413 611 1HZ LYS 75 HZ1 LYS 75 -4.936 8.387 -1.969 612 2HZ LYS 75 HZ2 LYS 75 -6.511 8.956 -1.821 613 3HZ LYS 75 HZ3 LYS 75 -6.088 7.947 -3.132 614 H ALA 76 HN ALA 76 -11.929 3.814 0.528 615 HA ALA 76 HA ALA 76 -13.566 3.185 -1.814 616 1HB ALA 76 HB1 ALA 76 -14.225 2.724 1.104 617 2HB ALA 76 HB2 ALA 76 -13.864 1.470 -0.083 618 3HB ALA 76 HB3 ALA 76 -15.324 2.447 -0.247 619 H GLY 77 HN GLY 77 -13.799 5.241 -2.518 620 1HA GLY 77 HA2 GLY 77 -14.111 7.490 -0.749 621 2HA GLY 77 HA1 GLY 77 -14.185 7.519 -2.500 622 H SER 78 HN SER 78 -16.126 5.751 -0.166 623 HA SER 78 HA SER 78 -18.549 6.557 -1.489 624 1HB SER 78 HB2 SER 78 -18.125 4.778 0.915 625 2HB SER 78 HB1 SER 78 -19.573 4.874 -0.089 626 HG SER 78 HG SER 78 -18.105 4.328 -1.861 627 H ASP 79 HN ASP 79 -16.659 7.674 1.071 628 HA ASP 79 HA ASP 79 -18.851 8.724 2.647 629 1HB ASP 79 HB2 ASP 79 -16.894 7.992 3.876 630 2HB ASP 79 HB1 ASP 79 -15.865 9.069 2.936 631 H THR 80 HN THR 80 -19.811 10.529 2.191 632 HA THR 80 HA THR 80 -18.252 12.752 1.411 633 HB THR 80 HB THR 80 -18.602 12.025 -0.815 634 HG1 THR 80 HG1 THR 80 -19.644 13.789 -1.644 635 1HG2 THR 80 HG21 THR 80 -20.816 11.507 -1.779 636 2HG2 THR 80 HG22 THR 80 -21.556 11.732 -0.195 637 3HG2 THR 80 HG23 THR 80 -20.423 10.406 -0.458 638 H GLU 81 HN GLU 81 -18.774 13.635 3.256 639 HA GLU 81 HA GLU 81 -21.485 14.753 3.306 640 1HB GLU 81 HB2 GLU 81 -21.499 14.744 5.750 641 2HB GLU 81 HB1 GLU 81 -21.314 13.109 5.135 642 1HG GLU 81 HG2 GLU 81 -18.968 13.133 5.664 643 2HG GLU 81 HG1 GLU 81 -19.060 14.827 6.148 644 H LEU 82 HN LEU 82 -18.063 15.147 3.841 645 HA LEU 82 HA LEU 82 -18.472 17.989 4.404 646 1HB LEU 82 HB2 LEU 82 -17.064 16.562 5.934 647 2HB LEU 82 HB1 LEU 82 -15.940 16.350 4.610 648 HG LEU 82 HG LEU 82 -15.539 18.804 4.609 649 1HD1 LEU 82 HD11 LEU 82 -16.293 20.137 6.515 650 2HD1 LEU 82 HD12 LEU 82 -17.232 18.763 7.100 651 3HD1 LEU 82 HD13 LEU 82 -17.652 19.529 5.569 652 1HD2 LEU 82 HD21 LEU 82 -14.205 18.837 6.668 653 2HD2 LEU 82 HD22 LEU 82 -14.034 17.309 5.802 654 3HD2 LEU 82 HD23 LEU 82 -15.060 17.401 7.236 655 H ALA 83 HN ALA 83 -18.491 16.324 1.793 656 HA ALA 83 HA ALA 83 -16.354 17.601 0.302 657 1HB ALA 83 HB1 ALA 83 -16.927 15.279 -0.230 658 2HB ALA 83 HB2 ALA 83 -17.192 16.334 -1.620 659 3HB ALA 83 HB3 ALA 83 -18.563 15.780 -0.658 660 H ALA 84 HN ALA 84 -19.786 17.807 0.759 661 HA ALA 84 HA ALA 84 -20.356 19.695 -1.256 662 1HB ALA 84 HB1 ALA 84 -21.745 19.260 1.399 663 2HB ALA 84 HB2 ALA 84 -22.111 18.418 -0.108 664 3HB ALA 84 HB3 ALA 84 -22.402 20.150 0.025 665 HA PRO 85 HA PRO 85 -18.005 23.056 0.416 666 1HB PRO 85 HB2 PRO 85 -19.628 24.701 -1.434 667 2HB PRO 85 HB1 PRO 85 -17.874 24.506 -1.343 668 1HG PRO 85 HG2 PRO 85 -19.285 23.388 -3.318 669 2HG PRO 85 HG1 PRO 85 -17.899 22.555 -2.591 670 1HD PRO 85 HD2 PRO 85 -20.823 22.123 -2.128 671 2HD PRO 85 HD1 PRO 85 -19.524 20.929 -2.310 672 H LYS 86 HN LYS 86 -18.704 23.361 2.434 673 HA LYS 86 HA LYS 86 -20.703 25.441 2.816 674 1HB LYS 86 HB2 LYS 86 -20.454 22.916 4.488 675 2HB LYS 86 HB1 LYS 86 -21.461 24.296 4.896 676 1HG LYS 86 HG2 LYS 86 -22.831 23.881 2.914 677 2HG LYS 86 HG1 LYS 86 -21.808 22.510 2.488 678 1HD LYS 86 HD2 LYS 86 -23.415 22.771 5.033 679 2HD LYS 86 HD1 LYS 86 -23.895 21.832 3.620 680 1HE LYS 86 HE2 LYS 86 -21.957 20.390 3.888 681 2HE LYS 86 HE1 LYS 86 -21.390 21.371 5.241 682 1HZ LYS 86 HZ1 LYS 86 -23.927 19.834 5.171 683 2HZ LYS 86 HZ2 LYS 86 -23.395 20.768 6.454 684 3HZ LYS 86 HZ3 LYS 86 -22.541 19.369 6.024 685 H SER 87 HN SER 87 -19.052 26.878 3.090 686 HA SER 87 HA SER 87 -17.528 26.527 5.550 687 1HB SER 87 HB2 SER 87 -16.298 27.317 2.903 688 2HB SER 87 HB1 SER 87 -15.467 27.300 4.459 689 HG SER 87 HG SER 87 -16.670 24.963 4.096 690 H LYS 88 HN LYS 88 -18.192 28.152 6.729 691 HA LYS 88 HA LYS 88 -18.832 30.733 5.563 692 1HB LYS 88 HB2 LYS 88 -20.083 29.800 7.532 693 2HB LYS 88 HB1 LYS 88 -18.610 29.924 8.481 694 1HG LYS 88 HG2 LYS 88 -18.620 32.371 8.097 695 2HG LYS 88 HG1 LYS 88 -20.165 32.195 7.264 696 1HD LYS 88 HD2 LYS 88 -21.095 31.181 9.343 697 2HD LYS 88 HD1 LYS 88 -19.566 31.544 10.145 698 1HE LYS 88 HE2 LYS 88 -19.893 33.934 9.657 699 2HE LYS 88 HE1 LYS 88 -21.439 33.554 8.898 700 1HZ LYS 88 HZ1 LYS 88 -21.904 34.238 11.143 701 2HZ LYS 88 HZ2 LYS 88 -20.685 33.262 11.737 702 3HZ LYS 88 HZ3 LYS 88 -22.058 32.547 11.132 703 H ASN 89 HN ASN 89 -16.384 29.146 7.492 704 HA ASN 89 HA ASN 89 -14.359 30.980 6.772 705 1HB ASN 89 HB2 ASN 89 -13.710 31.496 9.123 706 2HB ASN 89 HB1 ASN 89 -15.256 32.210 8.696 707 1HD2 ASN 89 HD21 ASN 89 -13.626 29.870 10.689 708 2HD2 ASN 89 HD22 ASN 89 -15.002 29.507 11.678 Start of MODEL 28 1 1H GLY 1 HT1 GLY 1 2.083 6.866 19.187 2 2H GLY 1 HT2 GLY 1 1.393 5.574 18.335 3 3H GLY 1 HT3 GLY 1 0.544 7.016 18.539 4 1HA GLY 1 HA1 GLY 1 2.042 8.185 17.121 5 2HA GLY 1 HA2 GLY 1 3.069 6.758 17.023 6 H ASP 2 HN ASP 2 -0.095 8.023 16.266 7 HA ASP 2 HA ASP 2 -0.174 6.362 13.887 8 1HB ASP 2 HB2 ASP 2 -2.438 5.485 14.303 9 2HB ASP 2 HB1 ASP 2 -1.312 4.933 15.532 10 H GLY 3 HN GLY 3 -1.438 9.052 15.768 11 1HA GLY 3 HA2 GLY 3 -2.053 11.107 14.996 12 2HA GLY 3 HA1 GLY 3 -1.838 10.530 13.350 13 H GLU 4 HN GLU 4 -3.527 9.613 12.281 14 HA GLU 4 HA GLU 4 -6.143 10.163 13.420 15 1HB GLU 4 HB2 GLU 4 -5.304 9.371 10.636 16 2HB GLU 4 HB1 GLU 4 -6.950 9.734 11.129 17 1HG GLU 4 HG2 GLU 4 -6.303 12.006 11.667 18 2HG GLU 4 HG1 GLU 4 -4.637 11.643 11.204 19 H ALA 5 HN ALA 5 -4.550 7.607 11.570 20 HA ALA 5 HA ALA 5 -5.030 5.517 13.339 21 1HB ALA 5 HB1 ALA 5 -6.774 4.245 12.190 22 2HB ALA 5 HB2 ALA 5 -7.016 5.576 11.059 23 3HB ALA 5 HB3 ALA 5 -7.405 5.788 12.768 24 H GLN 6 HN GLN 6 -5.368 5.977 9.855 25 HA GLN 6 HA GLN 6 -3.060 4.198 9.447 26 1HB GLN 6 HB2 GLN 6 -5.199 3.020 9.001 27 2HB GLN 6 HB1 GLN 6 -5.629 4.263 7.842 28 1HG GLN 6 HG2 GLN 6 -3.626 3.623 6.508 29 2HG GLN 6 HG1 GLN 6 -3.360 2.299 7.636 30 1HE2 GLN 6 HE21 GLN 6 -4.726 0.590 7.603 31 2HE2 GLN 6 HE22 GLN 6 -5.847 0.288 6.324 32 H ARG 7 HN ARG 7 -2.018 4.557 7.402 33 HA ARG 7 HA ARG 7 -2.528 7.141 6.143 34 1HB ARG 7 HB2 ARG 7 -0.115 7.351 5.802 35 2HB ARG 7 HB1 ARG 7 -0.476 7.225 7.513 36 1HG ARG 7 HG2 ARG 7 0.126 4.793 7.365 37 2HG ARG 7 HG1 ARG 7 0.672 5.108 5.714 38 1HD ARG 7 HD2 ARG 7 1.710 6.413 8.226 39 2HD ARG 7 HD1 ARG 7 2.549 5.199 7.263 40 HE ARG 7 HE ARG 7 2.732 6.815 5.500 41 1HH1 ARG 7 HH11 ARG 7 1.719 8.125 8.637 42 2HH1 ARG 7 HH12 ARG 7 2.227 9.713 8.312 43 1HH2 ARG 7 HH21 ARG 7 3.455 8.977 5.039 44 2HH2 ARG 7 HH22 ARG 7 3.317 10.213 6.220 45 H ASP 8 HN ASP 8 -1.806 7.081 3.849 46 HA ASP 8 HA ASP 8 -2.611 4.596 2.674 47 1HB ASP 8 HB2 ASP 8 -3.253 6.587 1.521 48 2HB ASP 8 HB1 ASP 8 -1.593 7.160 1.446 49 H LEU 9 HN LEU 9 -1.380 3.249 1.389 50 HA LEU 9 HA LEU 9 1.073 2.651 2.587 51 1HB LEU 9 HB2 LEU 9 -0.335 1.454 0.248 52 2HB LEU 9 HB1 LEU 9 1.224 0.864 0.772 53 HG LEU 9 HG LEU 9 -1.282 0.916 2.454 54 1HD1 LEU 9 HD11 LEU 9 -1.254 -1.444 2.235 55 2HD1 LEU 9 HD12 LEU 9 0.263 -1.397 1.332 56 3HD1 LEU 9 HD13 LEU 9 -1.210 -0.747 0.606 57 1HD2 LEU 9 HD21 LEU 9 1.463 -0.169 3.021 58 2HD2 LEU 9 HD22 LEU 9 0.041 -0.363 4.046 59 3HD2 LEU 9 HD23 LEU 9 0.730 1.244 3.781 60 H VAL 10 HN VAL 10 0.437 4.455 -0.344 61 HA VAL 10 HA VAL 10 3.227 4.231 -1.046 62 HB VAL 10 HB VAL 10 0.984 5.874 -2.276 63 1HG1 VAL 10 HG11 VAL 10 3.117 7.101 -2.547 64 2HG1 VAL 10 HG12 VAL 10 2.548 6.448 -4.083 65 3HG1 VAL 10 HG13 VAL 10 3.858 5.649 -3.216 66 1HG2 VAL 10 HG21 VAL 10 2.553 3.486 -3.199 67 2HG2 VAL 10 HG22 VAL 10 1.342 4.343 -4.144 68 3HG2 VAL 10 HG23 VAL 10 0.876 3.505 -2.651 69 H LYS 11 HN LYS 11 1.180 6.343 0.687 70 HA LYS 11 HA LYS 11 3.206 8.384 0.958 71 1HB LYS 11 HB2 LYS 11 0.540 8.025 2.376 72 2HB LYS 11 HB1 LYS 11 1.622 9.367 2.683 73 1HG LYS 11 HG2 LYS 11 -0.265 9.998 1.214 74 2HG LYS 11 HG1 LYS 11 1.289 10.193 0.404 75 1HD LYS 11 HD2 LYS 11 0.967 8.338 -0.931 76 2HD LYS 11 HD1 LYS 11 -0.267 7.649 0.091 77 1HE LYS 11 HE2 LYS 11 -1.717 9.618 -0.626 78 2HE LYS 11 HE1 LYS 11 -0.431 9.943 -1.805 79 1HZ LYS 11 HZ1 LYS 11 -0.857 8.052 -2.970 80 2HZ LYS 11 HZ2 LYS 11 -2.429 8.411 -2.469 81 3HZ LYS 11 HZ3 LYS 11 -1.520 7.227 -1.662 82 H ALA 12 HN ALA 12 2.842 5.406 2.075 83 HA ALA 12 HA ALA 12 4.255 5.877 4.584 84 1HB ALA 12 HB1 ALA 12 2.993 3.342 3.517 85 2HB ALA 12 HB2 ALA 12 2.297 4.406 4.743 86 3HB ALA 12 HB3 ALA 12 3.781 3.519 5.087 87 H VAL 13 HN VAL 13 4.367 3.416 1.992 88 HA VAL 13 HA VAL 13 7.026 2.642 2.472 89 HB VAL 13 HB VAL 13 5.414 2.311 -0.071 90 1HG1 VAL 13 HG11 VAL 13 7.776 1.921 -0.460 91 2HG1 VAL 13 HG12 VAL 13 6.884 0.400 -0.524 92 3HG1 VAL 13 HG13 VAL 13 7.839 0.802 0.905 93 1HG2 VAL 13 HG21 VAL 13 4.260 1.381 1.848 94 2HG2 VAL 13 HG22 VAL 13 5.709 0.482 2.304 95 3HG2 VAL 13 HG23 VAL 13 4.861 0.093 0.807 96 H ALA 14 HN ALA 14 5.679 4.623 -0.154 97 HA ALA 14 HA ALA 14 8.190 5.132 -1.323 98 1HB ALA 14 HB1 ALA 14 5.623 6.737 -1.637 99 2HB ALA 14 HB2 ALA 14 6.032 5.339 -2.578 100 3HB ALA 14 HB3 ALA 14 7.015 6.808 -2.722 101 H HIS 15 HN HIS 15 6.292 6.791 1.085 102 HA HIS 15 HA HIS 15 7.978 9.092 1.132 103 1HB HIS 15 HB2 HIS 15 5.593 9.170 1.843 104 2HB HIS 15 HB1 HIS 15 6.001 8.204 3.247 105 HD1 HIS 15 HD1 HIS 15 7.456 11.479 1.827 106 HD2 HIS 15 HD2 HIS 15 6.086 9.845 5.403 107 HE1 HIS 15 HE1 HIS 15 7.676 13.279 3.511 108 HE2 HIS 15 HE2 HIS 15 6.511 12.406 5.516 109 H ILE 16 HN ILE 16 8.351 5.981 2.459 110 HA ILE 16 HA ILE 16 10.217 6.748 4.503 111 HB ILE 16 HB ILE 16 9.740 4.081 3.117 112 1HG1 ILE 16 HG12 ILE 16 7.940 4.731 4.608 113 2HG1 ILE 16 HG11 ILE 16 8.823 3.375 5.295 114 1HG2 ILE 16 HG21 ILE 16 12.073 4.131 3.760 115 2HG2 ILE 16 HG22 ILE 16 11.183 3.012 4.792 116 3HG2 ILE 16 HG23 ILE 16 11.635 4.603 5.402 117 1HD1 ILE 16 HD11 ILE 16 9.094 6.265 6.105 118 2HD1 ILE 16 HD12 ILE 16 9.997 4.916 6.795 119 3HD1 ILE 16 HD13 ILE 16 8.247 5.002 7.000 120 H LEU 17 HN LEU 17 10.346 5.694 1.180 121 HA LEU 17 HA LEU 17 13.178 5.732 0.882 122 1HB LEU 17 HB2 LEU 17 11.044 6.044 -1.227 123 2HB LEU 17 HB1 LEU 17 12.711 5.590 -1.494 124 HG LEU 17 HG LEU 17 10.641 3.935 -0.052 125 1HD1 LEU 17 HD11 LEU 17 10.836 2.455 -1.984 126 2HD1 LEU 17 HD12 LEU 17 11.931 3.606 -2.748 127 3HD1 LEU 17 HD13 LEU 17 10.254 4.056 -2.439 128 1HD2 LEU 17 HD21 LEU 17 12.338 2.175 -0.064 129 2HD2 LEU 17 HD22 LEU 17 12.883 3.580 0.855 130 3HD2 LEU 17 HD23 LEU 17 13.499 3.297 -0.774 131 H GLY 18 HN GLY 18 10.609 8.025 0.457 132 1HA GLY 18 HA2 GLY 18 11.151 10.378 0.894 133 2HA GLY 18 HA1 GLY 18 12.606 10.127 -0.064 134 H ILE 19 HN ILE 19 9.692 8.632 -1.117 135 HA ILE 19 HA ILE 19 9.376 10.682 -3.152 136 HB ILE 19 HB ILE 19 8.478 8.695 -4.523 137 1HG1 ILE 19 HG12 ILE 19 10.485 7.244 -2.792 138 2HG1 ILE 19 HG11 ILE 19 8.749 6.986 -2.812 139 1HG2 ILE 19 HG21 ILE 19 10.301 10.108 -5.248 140 2HG2 ILE 19 HG22 ILE 19 10.720 8.429 -5.590 141 3HG2 ILE 19 HG23 ILE 19 11.435 9.251 -4.199 142 1HD1 ILE 19 HD11 ILE 19 10.642 6.464 -5.096 143 2HD1 ILE 19 HD12 ILE 19 8.895 6.201 -5.124 144 3HD1 ILE 19 HD13 ILE 19 9.910 5.250 -4.045 145 H ARG 20 HN ARG 20 7.340 10.485 -4.253 146 HA ARG 20 HA ARG 20 5.099 9.151 -3.167 147 1HB ARG 20 HB2 ARG 20 5.242 10.784 -1.407 148 2HB ARG 20 HB1 ARG 20 5.418 12.092 -2.566 149 1HG ARG 20 HG2 ARG 20 3.142 11.827 -3.282 150 2HG ARG 20 HG1 ARG 20 2.953 10.393 -2.266 151 1HD ARG 20 HD2 ARG 20 2.008 12.467 -1.277 152 2HD ARG 20 HD1 ARG 20 3.226 11.673 -0.283 153 HE ARG 20 HE ARG 20 4.115 13.813 -2.033 154 1HH1 ARG 20 HH11 ARG 20 3.036 12.879 1.189 155 2HH1 ARG 20 HH12 ARG 20 3.921 14.056 2.027 156 1HH2 ARG 20 HH21 ARG 20 5.341 15.549 -0.868 157 2HH2 ARG 20 HH22 ARG 20 5.248 15.602 0.826 158 H ASP 21 HN ASP 21 6.457 11.725 -5.112 159 HA ASP 21 HA ASP 21 4.202 12.091 -6.756 160 1HB ASP 21 HB2 ASP 21 5.581 13.387 -8.255 161 2HB ASP 21 HB1 ASP 21 6.124 13.744 -6.625 162 H LEU 22 HN LEU 22 7.143 10.250 -7.441 163 HA LEU 22 HA LEU 22 7.507 8.429 -8.747 164 1HB LEU 22 HB2 LEU 22 4.555 8.134 -8.282 165 2HB LEU 22 HB1 LEU 22 5.390 7.063 -9.381 166 HG LEU 22 HG LEU 22 5.045 6.072 -7.260 167 1HD1 LEU 22 HD11 LEU 22 7.396 5.384 -6.781 168 2HD1 LEU 22 HD12 LEU 22 7.936 6.718 -7.814 169 3HD1 LEU 22 HD13 LEU 22 6.996 5.406 -8.501 170 1HD2 LEU 22 HD21 LEU 22 5.016 7.969 -5.774 171 2HD2 LEU 22 HD22 LEU 22 6.720 8.286 -6.076 172 3HD2 LEU 22 HD23 LEU 22 6.229 6.824 -5.218 173 H ALA 23 HN ALA 23 6.891 11.127 -9.891 174 HA ALA 23 HA ALA 23 5.479 10.557 -12.314 175 1HB ALA 23 HB1 ALA 23 5.305 12.755 -11.240 176 2HB ALA 23 HB2 ALA 23 5.899 12.880 -12.896 177 3HB ALA 23 HB3 ALA 23 7.021 13.026 -11.543 178 H GLY 24 HN GLY 24 8.614 10.401 -11.265 179 1HA GLY 24 HA2 GLY 24 9.378 9.459 -13.896 180 2HA GLY 24 HA1 GLY 24 10.375 10.767 -13.226 181 H ILE 25 HN ILE 25 8.888 8.253 -11.395 182 HA ILE 25 HA ILE 25 11.540 7.149 -10.849 183 HB ILE 25 HB ILE 25 9.060 7.166 -9.038 184 1HG1 ILE 25 HG12 ILE 25 10.632 8.301 -7.378 185 2HG1 ILE 25 HG11 ILE 25 11.768 8.479 -8.698 186 1HG2 ILE 25 HG21 ILE 25 11.702 5.829 -8.491 187 2HG2 ILE 25 HG22 ILE 25 10.162 5.027 -8.806 188 3HG2 ILE 25 HG23 ILE 25 10.372 5.990 -7.342 189 1HD1 ILE 25 HD11 ILE 25 9.029 9.725 -8.514 190 2HD1 ILE 25 HD12 ILE 25 10.138 9.889 -9.874 191 3HD1 ILE 25 HD13 ILE 25 10.579 10.538 -8.295 192 H ASN 26 HN ASN 26 11.611 4.768 -10.806 193 HA ASN 26 HA ASN 26 9.998 3.791 -12.939 194 1HB ASN 26 HB2 ASN 26 12.119 2.432 -11.271 195 2HB ASN 26 HB1 ASN 26 11.239 1.620 -12.554 196 1HD2 ASN 26 HD21 ASN 26 13.107 1.250 -13.769 197 2HD2 ASN 26 HD22 ASN 26 13.917 2.535 -14.590 198 H LEU 27 HN LEU 27 8.071 3.167 -12.741 199 HA LEU 27 HA LEU 27 6.885 2.197 -10.260 200 1HB LEU 27 HB2 LEU 27 5.751 2.200 -13.071 201 2HB LEU 27 HB1 LEU 27 4.849 1.970 -11.587 202 HG LEU 27 HG LEU 27 6.206 4.521 -12.462 203 1HD1 LEU 27 HD11 LEU 27 3.932 5.385 -12.660 204 2HD1 LEU 27 HD12 LEU 27 3.295 3.792 -12.255 205 3HD1 LEU 27 HD13 LEU 27 4.207 4.025 -13.751 206 1HD2 LEU 27 HD21 LEU 27 4.517 3.948 -10.031 207 2HD2 LEU 27 HD22 LEU 27 5.107 5.533 -10.526 208 3HD2 LEU 27 HD23 LEU 27 6.250 4.282 -10.039 209 H ASP 28 HN ASP 28 8.672 0.925 -12.667 210 HA ASP 28 HA ASP 28 7.706 -1.787 -12.676 211 1HB ASP 28 HB2 ASP 28 8.914 -1.076 -14.614 212 2HB ASP 28 HB1 ASP 28 10.255 -0.484 -13.647 213 H SER 29 HN SER 29 9.682 0.130 -10.620 214 HA SER 29 HA SER 29 11.265 -2.020 -9.686 215 1HB SER 29 HB2 SER 29 11.051 0.827 -8.717 216 2HB SER 29 HB1 SER 29 12.239 -0.363 -8.178 217 HG SER 29 HG SER 29 12.403 -0.600 -10.647 218 H SER 30 HN SER 30 10.415 -3.520 -8.622 219 HA SER 30 HA SER 30 8.323 -3.427 -6.770 220 1HB SER 30 HB2 SER 30 10.592 -5.310 -7.296 221 2HB SER 30 HB1 SER 30 9.290 -5.719 -6.209 222 HG SER 30 HG SER 30 7.883 -5.693 -7.936 223 H LEU 31 HN LEU 31 8.640 -3.896 -4.399 224 HA LEU 31 HA LEU 31 10.578 -2.297 -3.151 225 1HB LEU 31 HB2 LEU 31 8.654 -4.335 -2.131 226 2HB LEU 31 HB1 LEU 31 9.958 -3.838 -1.074 227 HG LEU 31 HG LEU 31 9.179 -1.533 -1.129 228 1HD1 LEU 31 HD11 LEU 31 7.096 -0.905 -2.215 229 2HD1 LEU 31 HD12 LEU 31 6.980 -2.515 -2.928 230 3HD1 LEU 31 HD13 LEU 31 8.303 -1.440 -3.386 231 1HD2 LEU 31 HD21 LEU 31 6.956 -3.477 -0.569 232 2HD2 LEU 31 HD22 LEU 31 7.052 -1.819 0.025 233 3HD2 LEU 31 HD23 LEU 31 8.243 -3.015 0.544 234 H ALA 32 HN ALA 32 10.764 -5.520 -4.246 235 HA ALA 32 HA ALA 32 13.077 -6.317 -2.888 236 1HB ALA 32 HB1 ALA 32 12.191 -7.054 -5.682 237 2HB ALA 32 HB2 ALA 32 11.720 -7.881 -4.194 238 3HB ALA 32 HB3 ALA 32 13.399 -7.913 -4.726 239 H ASP 33 HN ASP 33 12.534 -4.369 -5.769 240 HA ASP 33 HA ASP 33 15.205 -4.273 -6.591 241 1HB ASP 33 HB2 ASP 33 13.380 -3.680 -8.130 242 2HB ASP 33 HB1 ASP 33 12.987 -2.279 -7.141 243 H LEU 34 HN LEU 34 13.124 -2.227 -4.662 244 HA LEU 34 HA LEU 34 15.007 -0.193 -4.096 245 1HB LEU 34 HB2 LEU 34 12.590 -1.030 -2.470 246 2HB LEU 34 HB1 LEU 34 13.534 0.399 -2.153 247 HG LEU 34 HG LEU 34 12.153 1.578 -3.460 248 1HD1 LEU 34 HD11 LEU 34 13.678 1.203 -5.282 249 2HD1 LEU 34 HD12 LEU 34 12.003 1.296 -5.843 250 3HD1 LEU 34 HD13 LEU 34 12.799 -0.274 -5.694 251 1HD2 LEU 34 HD21 LEU 34 10.457 -0.041 -2.818 252 2HD2 LEU 34 HD22 LEU 34 10.853 -1.003 -4.247 253 3HD2 LEU 34 HD23 LEU 34 10.167 0.610 -4.431 254 H GLY 35 HN GLY 35 14.205 -3.191 -2.494 255 1HA GLY 35 HA2 GLY 35 16.116 -4.423 -1.625 256 2HA GLY 35 HA1 GLY 35 16.738 -2.892 -1.032 257 H LEU 36 HN LEU 36 13.375 -3.909 -0.730 258 HA LEU 36 HA LEU 36 13.232 -3.405 1.979 259 1HB LEU 36 HB2 LEU 36 11.142 -3.501 1.321 260 2HB LEU 36 HB1 LEU 36 11.403 -4.584 0.005 261 HG LEU 36 HG LEU 36 11.310 -6.470 1.745 262 1HD1 LEU 36 HD11 LEU 36 10.194 -6.001 3.859 263 2HD1 LEU 36 HD12 LEU 36 10.263 -4.273 3.513 264 3HD1 LEU 36 HD13 LEU 36 11.754 -5.187 3.746 265 1HD2 LEU 36 HD21 LEU 36 8.878 -4.746 1.378 266 2HD2 LEU 36 HD22 LEU 36 8.872 -6.434 1.883 267 3HD2 LEU 36 HD23 LEU 36 9.457 -5.994 0.277 268 H ASP 37 HN ASP 37 14.019 -4.224 3.603 269 HA ASP 37 HA ASP 37 14.296 -7.106 3.927 270 1HB ASP 37 HB2 ASP 37 16.476 -6.476 3.092 271 2HB ASP 37 HB1 ASP 37 16.582 -5.150 4.242 272 H SER 38 HN SER 38 14.020 -3.891 5.296 273 HA SER 38 HA SER 38 13.469 -5.163 7.851 274 1HB SER 38 HB2 SER 38 15.697 -4.210 8.019 275 2HB SER 38 HB1 SER 38 15.117 -2.657 7.434 276 HG SER 38 HG SER 38 14.569 -3.945 9.899 277 H LEU 39 HN LEU 39 13.350 -1.658 7.236 278 HA LEU 39 HA LEU 39 10.829 -1.564 8.586 279 1HB LEU 39 HB2 LEU 39 12.752 0.062 8.856 280 2HB LEU 39 HB1 LEU 39 12.377 0.688 7.276 281 HG LEU 39 HG LEU 39 11.632 2.116 9.189 282 1HD1 LEU 39 HD11 LEU 39 10.572 2.430 7.051 283 2HD1 LEU 39 HD12 LEU 39 9.409 2.648 8.358 284 3HD1 LEU 39 HD13 LEU 39 9.410 1.158 7.415 285 1HD2 LEU 39 HD21 LEU 39 9.628 1.469 10.448 286 2HD2 LEU 39 HD22 LEU 39 10.990 0.389 10.754 287 3HD2 LEU 39 HD23 LEU 39 9.679 -0.122 9.690 288 H MET 40 HN MET 40 11.862 -1.570 5.324 289 HA MET 40 HA MET 40 9.666 -0.321 4.028 290 1HB MET 40 HB2 MET 40 11.482 -2.488 2.977 291 2HB MET 40 HB1 MET 40 10.386 -1.521 2.011 292 1HG MET 40 HG2 MET 40 11.651 0.491 2.569 293 2HG MET 40 HG1 MET 40 12.739 -0.470 3.571 294 1HE MET 40 HE1 MET 40 15.103 0.329 0.588 295 2HE MET 40 HE2 MET 40 14.933 0.277 2.343 296 3HE MET 40 HE3 MET 40 13.955 1.400 1.394 297 H GLY 41 HN GLY 41 9.692 -3.187 5.762 298 1HA GLY 41 HA2 GLY 41 7.169 -3.962 4.450 299 2HA GLY 41 HA1 GLY 41 8.278 -5.125 5.167 300 H VAL 42 HN VAL 42 8.604 -2.849 7.332 301 HA VAL 42 HA VAL 42 6.945 -4.253 9.166 302 HB VAL 42 HB VAL 42 8.558 -1.727 9.667 303 1HG1 VAL 42 HG11 VAL 42 7.330 -3.653 11.641 304 2HG1 VAL 42 HG12 VAL 42 6.800 -2.002 11.337 305 3HG1 VAL 42 HG13 VAL 42 8.388 -2.302 12.048 306 1HG2 VAL 42 HG21 VAL 42 9.951 -3.599 8.993 307 2HG2 VAL 42 HG22 VAL 42 9.209 -4.612 10.232 308 3HG2 VAL 42 HG23 VAL 42 10.193 -3.222 10.698 309 H GLU 43 HN GLU 43 6.973 -0.800 8.332 310 HA GLU 43 HA GLU 43 4.598 -0.239 9.700 311 1HB GLU 43 HB2 GLU 43 6.169 1.523 9.099 312 2HB GLU 43 HB1 GLU 43 5.880 1.244 7.390 313 1HG GLU 43 HG2 GLU 43 3.692 2.111 7.521 314 2HG GLU 43 HG1 GLU 43 3.710 2.094 9.281 315 H VAL 44 HN VAL 44 5.209 -1.372 6.537 316 HA VAL 44 HA VAL 44 2.682 -1.064 5.284 317 HB VAL 44 HB VAL 44 4.641 -3.314 4.908 318 1HG1 VAL 44 HG11 VAL 44 3.784 -3.327 2.617 319 2HG1 VAL 44 HG12 VAL 44 2.615 -2.072 3.087 320 3HG1 VAL 44 HG13 VAL 44 2.557 -3.666 3.845 321 1HG2 VAL 44 HG21 VAL 44 5.843 -1.228 4.789 322 2HG2 VAL 44 HG22 VAL 44 4.674 -0.600 3.617 323 3HG2 VAL 44 HG23 VAL 44 5.708 -1.976 3.201 324 H ARG 45 HN ARG 45 4.145 -3.926 6.799 325 HA ARG 45 HA ARG 45 1.894 -5.523 6.457 326 1HB ARG 45 HB2 ARG 45 4.272 -6.239 6.785 327 2HB ARG 45 HB1 ARG 45 4.079 -5.891 8.489 328 1HG ARG 45 HG2 ARG 45 2.551 -7.675 8.767 329 2HG ARG 45 HG1 ARG 45 2.374 -7.886 7.016 330 1HD ARG 45 HD2 ARG 45 4.873 -8.358 8.645 331 2HD ARG 45 HD1 ARG 45 3.874 -9.592 7.869 332 HE ARG 45 HE ARG 45 4.444 -8.241 5.761 333 1HH1 ARG 45 HH11 ARG 45 6.703 -9.159 8.344 334 2HH1 ARG 45 HH12 ARG 45 8.100 -8.866 7.421 335 1HH2 ARG 45 HH21 ARG 45 6.445 -7.809 4.499 336 2HH2 ARG 45 HH22 ARG 45 7.958 -8.071 5.276 337 H GLN 46 HN GLN 46 2.794 -3.379 9.067 338 HA GLN 46 HA GLN 46 0.932 -4.202 11.025 339 1HB GLN 46 HB2 GLN 46 1.899 -1.410 10.394 340 2HB GLN 46 HB1 GLN 46 1.053 -1.877 11.857 341 1HG GLN 46 HG2 GLN 46 2.918 -3.272 12.519 342 2HG GLN 46 HG1 GLN 46 3.751 -2.902 11.008 343 1HE2 GLN 46 HE21 GLN 46 1.891 -0.542 12.769 344 2HE2 GLN 46 HE22 GLN 46 3.209 0.452 13.241 345 H ILE 47 HN ILE 47 0.689 -1.907 8.346 346 HA ILE 47 HA ILE 47 -1.901 -0.944 8.876 347 HB ILE 47 HB ILE 47 -0.259 -1.005 6.327 348 1HG1 ILE 47 HG12 ILE 47 -0.788 1.166 8.352 349 2HG1 ILE 47 HG11 ILE 47 0.721 0.285 8.057 350 1HG2 ILE 47 HG21 ILE 47 -1.770 0.683 5.402 351 2HG2 ILE 47 HG22 ILE 47 -2.826 0.492 6.803 352 3HG2 ILE 47 HG23 ILE 47 -2.586 -0.855 5.690 353 1HD1 ILE 47 HD11 ILE 47 0.919 1.318 5.870 354 2HD1 ILE 47 HD12 ILE 47 0.810 2.537 7.138 355 3HD1 ILE 47 HD13 ILE 47 -0.595 2.187 6.131 356 H LEU 48 HN LEU 48 -0.673 -3.498 6.891 357 HA LEU 48 HA LEU 48 -3.296 -4.045 5.926 358 1HB LEU 48 HB2 LEU 48 -0.723 -5.544 5.546 359 2HB LEU 48 HB1 LEU 48 -2.249 -6.173 4.966 360 HG LEU 48 HG LEU 48 -1.199 -5.179 3.129 361 1HD1 LEU 48 HD11 LEU 48 -2.708 -3.382 2.475 362 2HD1 LEU 48 HD12 LEU 48 -3.231 -3.230 4.148 363 3HD1 LEU 48 HD13 LEU 48 -3.568 -4.716 3.253 364 1HD2 LEU 48 HD21 LEU 48 -0.793 -2.699 4.773 365 2HD2 LEU 48 HD22 LEU 48 -0.426 -2.867 3.055 366 3HD2 LEU 48 HD23 LEU 48 0.455 -3.827 4.244 367 H GLU 49 HN GLU 49 -1.218 -5.635 8.292 368 HA GLU 49 HA GLU 49 -2.930 -7.812 8.817 369 1HB GLU 49 HB2 GLU 49 -0.584 -7.892 9.379 370 2HB GLU 49 HB1 GLU 49 -0.763 -6.544 10.489 371 1HG GLU 49 HG2 GLU 49 -2.350 -8.011 11.804 372 2HG GLU 49 HG1 GLU 49 -1.803 -9.342 10.789 373 H ARG 50 HN ARG 50 -2.554 -4.685 10.472 374 HA ARG 50 HA ARG 50 -4.400 -5.600 12.516 375 1HB ARG 50 HB2 ARG 50 -2.855 -3.042 12.296 376 2HB ARG 50 HB1 ARG 50 -3.751 -3.596 13.714 377 1HG ARG 50 HG2 ARG 50 -2.301 -5.499 13.933 378 2HG ARG 50 HG1 ARG 50 -1.452 -5.056 12.452 379 1HD ARG 50 HD2 ARG 50 -0.805 -2.937 13.539 380 2HD ARG 50 HD1 ARG 50 -1.533 -3.531 15.033 381 HE ARG 50 HE ARG 50 0.119 -5.513 14.376 382 1HH1 ARG 50 HH11 ARG 50 0.615 -2.018 14.642 383 2HH1 ARG 50 HH12 ARG 50 2.234 -2.125 15.142 384 1HH2 ARG 50 HH21 ARG 50 2.361 -5.693 14.962 385 2HH2 ARG 50 HH22 ARG 50 3.313 -4.306 15.271 386 H GLU 51 HN GLU 51 -4.373 -3.389 9.852 387 HA GLU 51 HA GLU 51 -6.798 -2.116 10.827 388 1HB GLU 51 HB2 GLU 51 -5.390 -1.637 8.221 389 2HB GLU 51 HB1 GLU 51 -6.521 -0.574 9.040 390 1HG GLU 51 HG2 GLU 51 -3.765 -1.284 10.042 391 2HG GLU 51 HG1 GLU 51 -4.190 0.195 9.198 392 H HIS 52 HN HIS 52 -5.749 -4.344 8.313 393 HA HIS 52 HA HIS 52 -8.569 -4.574 7.509 394 1HB HIS 52 HB2 HIS 52 -6.137 -4.846 5.734 395 2HB HIS 52 HB1 HIS 52 -7.771 -5.302 5.268 396 HD1 HIS 52 HD1 HIS 52 -5.524 -2.576 4.912 397 HD2 HIS 52 HD2 HIS 52 -9.599 -2.944 5.623 398 HE1 HIS 52 HE1 HIS 52 -6.524 -0.381 4.280 399 HE2 HIS 52 HE2 HIS 52 -9.003 -0.654 4.645 400 H ASP 53 HN ASP 53 -5.988 -6.247 8.844 401 HA ASP 53 HA ASP 53 -5.682 -8.304 9.562 402 1HB ASP 53 HB2 ASP 53 -8.529 -8.728 8.680 403 2HB ASP 53 HB1 ASP 53 -7.556 -10.070 9.276 404 H LEU 54 HN LEU 54 -4.943 -7.458 6.934 405 HA LEU 54 HA LEU 54 -4.681 -10.066 5.586 406 1HB LEU 54 HB2 LEU 54 -4.295 -7.251 4.588 407 2HB LEU 54 HB1 LEU 54 -3.587 -8.605 3.753 408 HG LEU 54 HG LEU 54 -5.881 -9.492 3.349 409 1HD1 LEU 54 HD11 LEU 54 -7.052 -8.432 5.186 410 2HD1 LEU 54 HD12 LEU 54 -7.780 -7.985 3.637 411 3HD1 LEU 54 HD13 LEU 54 -6.721 -6.852 4.484 412 1HD2 LEU 54 HD21 LEU 54 -5.318 -6.708 2.359 413 2HD2 LEU 54 HD22 LEU 54 -6.431 -7.862 1.623 414 3HD2 LEU 54 HD23 LEU 54 -4.704 -8.210 1.670 415 H VAL 55 HN VAL 55 -2.938 -11.066 6.473 416 HA VAL 55 HA VAL 55 -0.610 -9.454 7.087 417 HB VAL 55 HB VAL 55 -0.852 -12.477 7.202 418 1HG1 VAL 55 HG11 VAL 55 1.449 -11.705 7.074 419 2HG1 VAL 55 HG12 VAL 55 1.107 -12.339 8.683 420 3HG1 VAL 55 HG13 VAL 55 1.180 -10.599 8.420 421 1HG2 VAL 55 HG21 VAL 55 -2.466 -11.432 8.702 422 2HG2 VAL 55 HG22 VAL 55 -1.190 -10.442 9.402 423 3HG2 VAL 55 HG23 VAL 55 -1.163 -12.194 9.615 424 H LEU 56 HN LEU 56 -0.008 -8.647 5.171 425 HA LEU 56 HA LEU 56 0.550 -10.426 2.987 426 1HB LEU 56 HB2 LEU 56 1.209 -7.503 3.258 427 2HB LEU 56 HB1 LEU 56 1.364 -8.445 1.797 428 HG LEU 56 HG LEU 56 -1.213 -7.691 3.172 429 1HD1 LEU 56 HD11 LEU 56 -0.193 -5.895 1.896 430 2HD1 LEU 56 HD12 LEU 56 -1.654 -6.478 1.100 431 3HD1 LEU 56 HD13 LEU 56 -0.070 -6.946 0.485 432 1HD2 LEU 56 HD21 LEU 56 -2.346 -8.824 1.325 433 2HD2 LEU 56 HD22 LEU 56 -1.378 -9.956 2.268 434 3HD2 LEU 56 HD23 LEU 56 -0.792 -9.381 0.708 435 HA PRO 57 HA PRO 57 4.576 -11.192 4.682 436 1HB PRO 57 HB2 PRO 57 4.719 -13.325 2.751 437 2HB PRO 57 HB1 PRO 57 4.455 -13.453 4.492 438 1HG PRO 57 HG2 PRO 57 2.551 -14.098 2.653 439 2HG PRO 57 HG1 PRO 57 2.160 -13.448 4.262 440 1HD PRO 57 HD2 PRO 57 2.374 -12.008 1.648 441 2HD PRO 57 HD1 PRO 57 1.082 -11.930 2.874 442 H ILE 58 HN ILE 58 6.689 -12.031 3.421 443 HA ILE 58 HA ILE 58 7.486 -9.852 1.797 444 HB ILE 58 HB ILE 58 8.888 -12.469 2.464 445 1HG1 ILE 58 HG12 ILE 58 10.503 -10.952 3.660 446 2HG1 ILE 58 HG11 ILE 58 9.440 -9.609 3.290 447 1HG2 ILE 58 HG21 ILE 58 10.945 -11.614 1.434 448 2HG2 ILE 58 HG22 ILE 58 10.040 -10.243 0.794 449 3HG2 ILE 58 HG23 ILE 58 9.660 -11.879 0.256 450 1HD1 ILE 58 HD11 ILE 58 9.158 -10.371 5.568 451 2HD1 ILE 58 HD12 ILE 58 8.762 -11.992 4.998 452 3HD1 ILE 58 HD13 ILE 58 7.685 -10.642 4.638 453 H ARG 59 HN ARG 59 6.453 -13.096 1.130 454 HA ARG 59 HA ARG 59 7.051 -13.092 -1.612 455 1HB ARG 59 HB2 ARG 59 5.348 -14.963 -1.848 456 2HB ARG 59 HB1 ARG 59 6.698 -15.244 -0.774 457 1HG ARG 59 HG2 ARG 59 4.200 -14.215 0.442 458 2HG ARG 59 HG1 ARG 59 4.192 -15.875 -0.162 459 1HD ARG 59 HD2 ARG 59 6.164 -14.712 1.808 460 2HD ARG 59 HD1 ARG 59 4.827 -15.790 2.206 461 HE ARG 59 HE ARG 59 6.651 -16.827 0.225 462 1HH1 ARG 59 HH11 ARG 59 5.983 -16.710 3.736 463 2HH1 ARG 59 HH12 ARG 59 6.834 -18.148 4.036 464 1HH2 ARG 59 HH21 ARG 59 7.759 -18.734 0.674 465 2HH2 ARG 59 HH22 ARG 59 7.873 -19.358 2.263 466 H GLU 60 HN GLU 60 4.872 -11.151 -0.147 467 HA GLU 60 HA GLU 60 3.610 -10.735 -2.749 468 1HB GLU 60 HB2 GLU 60 2.364 -10.237 -0.031 469 2HB GLU 60 HB1 GLU 60 1.648 -9.725 -1.553 470 1HG GLU 60 HG2 GLU 60 1.637 -12.118 -2.265 471 2HG GLU 60 HG1 GLU 60 2.159 -12.545 -0.641 472 H VAL 61 HN VAL 61 4.436 -9.024 0.260 473 HA VAL 61 HA VAL 61 4.202 -6.419 -0.693 474 HB VAL 61 HB VAL 61 5.966 -7.459 1.544 475 1HG1 VAL 61 HG11 VAL 61 4.998 -4.640 1.008 476 2HG1 VAL 61 HG12 VAL 61 6.660 -5.207 0.867 477 3HG1 VAL 61 HG13 VAL 61 5.872 -5.169 2.447 478 1HG2 VAL 61 HG21 VAL 61 3.187 -6.302 1.579 479 2HG2 VAL 61 HG22 VAL 61 4.129 -6.762 2.998 480 3HG2 VAL 61 HG23 VAL 61 3.620 -7.991 1.840 481 H ARG 62 HN ARG 62 7.034 -8.539 -0.782 482 HA ARG 62 HA ARG 62 8.934 -6.511 -1.372 483 1HB ARG 62 HB2 ARG 62 9.377 -8.810 -0.415 484 2HB ARG 62 HB1 ARG 62 9.142 -9.447 -2.032 485 1HG ARG 62 HG2 ARG 62 11.007 -7.940 -2.776 486 2HG ARG 62 HG1 ARG 62 11.306 -7.605 -1.071 487 1HD ARG 62 HD2 ARG 62 12.796 -9.354 -1.792 488 2HD ARG 62 HD1 ARG 62 11.599 -10.050 -0.698 489 HE ARG 62 HE ARG 62 10.570 -10.369 -3.239 490 1HH1 ARG 62 HH11 ARG 62 13.384 -11.613 -1.433 491 2HH1 ARG 62 HH12 ARG 62 13.536 -12.978 -2.428 492 1HH2 ARG 62 HH21 ARG 62 10.864 -12.241 -4.606 493 2HH2 ARG 62 HH22 ARG 62 12.175 -13.281 -4.299 494 H GLN 63 HN GLN 63 6.616 -8.111 -3.312 495 HA GLN 63 HA GLN 63 8.137 -7.622 -5.747 496 1HB GLN 63 HB2 GLN 63 5.677 -9.304 -5.261 497 2HB GLN 63 HB1 GLN 63 6.279 -8.948 -6.873 498 1HG GLN 63 HG2 GLN 63 7.060 -11.114 -6.234 499 2HG GLN 63 HG1 GLN 63 8.432 -10.017 -6.255 500 1HE2 GLN 63 HE21 GLN 63 6.038 -10.260 -3.721 501 2HE2 GLN 63 HE22 GLN 63 7.122 -10.848 -2.503 502 H LEU 64 HN LEU 64 5.804 -6.166 -3.897 503 HA LEU 64 HA LEU 64 4.167 -5.054 -5.896 504 1HB LEU 64 HB2 LEU 64 4.795 -4.019 -3.133 505 2HB LEU 64 HB1 LEU 64 3.500 -3.430 -4.154 506 HG LEU 64 HG LEU 64 3.715 -6.204 -2.992 507 1HD1 LEU 64 HD11 LEU 64 3.145 -4.546 -1.326 508 2HD1 LEU 64 HD12 LEU 64 1.751 -5.564 -1.690 509 3HD1 LEU 64 HD13 LEU 64 1.851 -3.933 -2.354 510 1HD2 LEU 64 HD21 LEU 64 1.538 -4.968 -4.677 511 2HD2 LEU 64 HD22 LEU 64 1.467 -6.551 -3.903 512 3HD2 LEU 64 HD23 LEU 64 2.644 -6.247 -5.182 513 H THR 65 HN THR 65 4.344 -3.244 -7.105 514 HA THR 65 HA THR 65 7.009 -2.311 -7.557 515 HB THR 65 HB THR 65 5.788 -1.414 -9.591 516 HG1 THR 65 HG1 THR 65 3.670 -1.936 -9.760 517 1HG2 THR 65 HG21 THR 65 7.060 -3.525 -9.487 518 2HG2 THR 65 HG22 THR 65 5.626 -3.661 -10.539 519 3HG2 THR 65 HG23 THR 65 5.598 -4.316 -8.890 520 H LEU 66 HN LEU 66 6.252 -1.201 -5.283 521 HA LEU 66 HA LEU 66 6.085 0.711 -4.075 522 1HB LEU 66 HB2 LEU 66 7.896 1.309 -5.779 523 2HB LEU 66 HB1 LEU 66 6.665 2.192 -6.649 524 HG LEU 66 HG LEU 66 8.126 3.648 -5.288 525 1HD1 LEU 66 HD11 LEU 66 6.389 4.933 -4.154 526 2HD1 LEU 66 HD12 LEU 66 5.301 3.549 -4.326 527 3HD1 LEU 66 HD13 LEU 66 5.877 4.399 -5.761 528 1HD2 LEU 66 HD21 LEU 66 7.956 3.621 -2.856 529 2HD2 LEU 66 HD22 LEU 66 8.608 2.102 -3.471 530 3HD2 LEU 66 HD23 LEU 66 6.928 2.194 -2.942 531 H ARG 67 HN ARG 67 4.576 1.671 -7.138 532 HA ARG 67 HA ARG 67 2.586 3.147 -5.704 533 1HB ARG 67 HB2 ARG 67 3.166 2.708 -8.572 534 2HB ARG 67 HB1 ARG 67 1.533 3.195 -8.135 535 1HG ARG 67 HG2 ARG 67 4.051 4.679 -7.399 536 2HG ARG 67 HG1 ARG 67 2.940 5.111 -8.706 537 1HD ARG 67 HD2 ARG 67 1.114 5.218 -6.976 538 2HD ARG 67 HD1 ARG 67 2.351 5.004 -5.763 539 HE ARG 67 HE ARG 67 3.314 7.109 -6.401 540 1HH1 ARG 67 HH11 ARG 67 0.040 6.556 -7.723 541 2HH1 ARG 67 HH12 ARG 67 -0.356 8.209 -7.765 542 1HH2 ARG 67 HH21 ARG 67 2.685 9.415 -6.414 543 2HH2 ARG 67 HH22 ARG 67 1.145 9.838 -6.968 544 H LYS 68 HN LYS 68 2.792 -0.004 -7.003 545 HA LYS 68 HA LYS 68 0.028 -0.603 -7.055 546 1HB LYS 68 HB2 LYS 68 1.826 -1.919 -8.160 547 2HB LYS 68 HB1 LYS 68 2.306 -2.521 -6.583 548 1HG LYS 68 HG2 LYS 68 0.140 -3.606 -6.313 549 2HG LYS 68 HG1 LYS 68 -0.373 -2.989 -7.886 550 1HD LYS 68 HD2 LYS 68 1.980 -4.795 -7.411 551 2HD LYS 68 HD1 LYS 68 0.394 -5.355 -7.948 552 1HE LYS 68 HE2 LYS 68 0.622 -3.971 -9.988 553 2HE LYS 68 HE1 LYS 68 2.212 -3.438 -9.448 554 1HZ LYS 68 HZ1 LYS 68 1.428 -6.212 -10.133 555 2HZ LYS 68 HZ2 LYS 68 2.907 -5.770 -9.473 556 3HZ LYS 68 HZ3 LYS 68 2.494 -5.216 -11.005 557 H LEU 69 HN LEU 69 2.219 -0.201 -4.522 558 HA LEU 69 HA LEU 69 1.171 -1.689 -2.399 559 1HB LEU 69 HB2 LEU 69 2.484 0.981 -2.482 560 2HB LEU 69 HB1 LEU 69 1.655 0.531 -1.012 561 HG LEU 69 HG LEU 69 4.041 0.111 -0.870 562 1HD1 LEU 69 HD11 LEU 69 2.421 -2.416 -0.941 563 2HD1 LEU 69 HD12 LEU 69 2.550 -1.293 0.411 564 3HD1 LEU 69 HD13 LEU 69 3.965 -2.206 -0.116 565 1HD2 LEU 69 HD21 LEU 69 4.522 -0.318 -3.209 566 2HD2 LEU 69 HD22 LEU 69 3.603 -1.821 -3.134 567 3HD2 LEU 69 HD23 LEU 69 5.092 -1.649 -2.202 568 H GLN 70 HN GLN 70 -0.006 1.428 -3.595 569 HA GLN 70 HA GLN 70 -2.086 1.407 -1.626 570 1HB GLN 70 HB2 GLN 70 -2.822 3.551 -2.543 571 2HB GLN 70 HB1 GLN 70 -1.119 3.552 -2.138 572 1HG GLN 70 HG2 GLN 70 -0.475 3.491 -4.364 573 2HG GLN 70 HG1 GLN 70 -2.134 3.166 -4.957 574 1HE2 GLN 70 HE21 GLN 70 -0.455 5.210 -5.828 575 2HE2 GLN 70 HE22 GLN 70 -1.156 6.720 -5.363 576 H GLU 71 HN GLU 71 -1.776 -0.250 -4.333 577 HA GLU 71 HA GLU 71 -4.611 -0.123 -5.076 578 1HB GLU 71 HB2 GLU 71 -2.806 -0.266 -6.847 579 2HB GLU 71 HB1 GLU 71 -2.399 -1.856 -6.224 580 1HG GLU 71 HG2 GLU 71 -3.766 -2.080 -8.186 581 2HG GLU 71 HG1 GLU 71 -4.677 -2.621 -6.775 582 H MET 72 HN MET 72 -2.215 -1.943 -3.399 583 HA MET 72 HA MET 72 -4.074 -4.125 -2.777 584 1HB MET 72 HB2 MET 72 -1.082 -3.836 -2.390 585 2HB MET 72 HB1 MET 72 -2.019 -5.198 -1.800 586 1HG MET 72 HG2 MET 72 -1.694 -4.411 -4.690 587 2HG MET 72 HG1 MET 72 -0.831 -5.706 -3.866 588 1HE MET 72 HE1 MET 72 -1.569 -7.441 -5.717 589 2HE MET 72 HE2 MET 72 -2.432 -6.164 -6.578 590 3HE MET 72 HE3 MET 72 -3.241 -7.689 -6.219 591 H SER 73 HN SER 73 -4.011 -1.287 -1.773 592 HA SER 73 HA SER 73 -3.015 -1.435 0.856 593 1HB SER 73 HB2 SER 73 -3.808 0.886 1.024 594 2HB SER 73 HB1 SER 73 -3.004 0.589 -0.493 595 HG SER 73 HG SER 73 -4.947 1.692 -0.878 596 H SER 74 HN SER 74 -6.067 -1.761 -0.794 597 HA SER 74 HA SER 74 -8.080 -2.536 -0.282 598 1HB SER 74 HB2 SER 74 -6.723 -3.510 2.238 599 2HB SER 74 HB1 SER 74 -8.351 -3.972 1.735 600 HG SER 74 HG SER 74 -6.658 -4.247 -0.300 601 H LYS 75 HN LYS 75 -7.056 0.127 0.648 602 HA LYS 75 HA LYS 75 -9.004 0.619 2.779 603 1HB LYS 75 HB2 LYS 75 -7.870 2.793 3.135 604 2HB LYS 75 HB1 LYS 75 -6.774 1.433 3.306 605 1HG LYS 75 HG2 LYS 75 -6.016 1.877 0.954 606 2HG LYS 75 HG1 LYS 75 -6.974 3.352 1.004 607 1HD LYS 75 HD2 LYS 75 -4.844 2.754 3.053 608 2HD LYS 75 HD1 LYS 75 -4.459 3.519 1.523 609 1HE LYS 75 HE2 LYS 75 -4.659 5.184 3.277 610 2HE LYS 75 HE1 LYS 75 -5.946 5.399 2.106 611 1HZ LYS 75 HZ1 LYS 75 -7.529 4.585 3.640 612 2HZ LYS 75 HZ2 LYS 75 -6.519 5.604 4.541 613 3HZ LYS 75 HZ3 LYS 75 -6.347 3.942 4.670 614 H ALA 76 HN ALA 76 -9.048 0.476 -0.360 615 HA ALA 76 HA ALA 76 -10.250 2.951 -1.087 616 1HB ALA 76 HB1 ALA 76 -9.033 1.585 -2.720 617 2HB ALA 76 HB2 ALA 76 -10.702 1.861 -3.224 618 3HB ALA 76 HB3 ALA 76 -10.233 0.306 -2.538 619 H GLY 77 HN GLY 77 -12.083 3.430 -0.047 620 1HA GLY 77 HA2 GLY 77 -14.191 1.404 0.122 621 2HA GLY 77 HA1 GLY 77 -14.161 2.949 0.969 622 H SER 78 HN SER 78 -13.142 3.503 -2.081 623 HA SER 78 HA SER 78 -15.786 3.718 -3.257 624 1HB SER 78 HB2 SER 78 -13.854 6.043 -3.056 625 2HB SER 78 HB1 SER 78 -15.379 6.045 -3.944 626 HG SER 78 HG SER 78 -15.932 5.191 -1.565 627 H ASP 79 HN ASP 79 -15.259 2.165 -4.757 628 HA ASP 79 HA ASP 79 -13.053 2.789 -6.600 629 1HB ASP 79 HB2 ASP 79 -13.448 0.392 -5.847 630 2HB ASP 79 HB1 ASP 79 -14.974 0.436 -6.723 631 H THR 80 HN THR 80 -16.413 2.999 -6.151 632 HA THR 80 HA THR 80 -18.163 3.691 -7.286 633 HB THR 80 HB THR 80 -16.178 5.281 -8.949 634 HG1 THR 80 HG1 THR 80 -15.754 6.085 -7.037 635 1HG2 THR 80 HG21 THR 80 -18.495 5.289 -9.823 636 2HG2 THR 80 HG22 THR 80 -18.054 6.871 -9.174 637 3HG2 THR 80 HG23 THR 80 -19.087 5.791 -8.239 638 H GLU 81 HN GLU 81 -18.580 1.632 -8.020 639 HA GLU 81 HA GLU 81 -17.566 0.779 -10.551 640 1HB GLU 81 HB2 GLU 81 -19.716 -0.450 -8.845 641 2HB GLU 81 HB1 GLU 81 -18.963 -1.197 -10.247 642 1HG GLU 81 HG2 GLU 81 -16.789 -1.088 -9.100 643 2HG GLU 81 HG1 GLU 81 -17.606 -0.437 -7.681 644 H LEU 82 HN LEU 82 -20.162 2.691 -9.586 645 HA LEU 82 HA LEU 82 -21.748 2.223 -11.915 646 1HB LEU 82 HB2 LEU 82 -21.748 4.527 -9.963 647 2HB LEU 82 HB1 LEU 82 -22.873 4.383 -11.298 648 HG LEU 82 HG LEU 82 -22.654 2.416 -9.019 649 1HD1 LEU 82 HD11 LEU 82 -24.688 4.564 -9.573 650 2HD1 LEU 82 HD12 LEU 82 -23.493 4.572 -8.274 651 3HD1 LEU 82 HD13 LEU 82 -24.776 3.361 -8.286 652 1HD2 LEU 82 HD21 LEU 82 -24.663 2.670 -11.260 653 2HD2 LEU 82 HD22 LEU 82 -24.747 1.524 -9.921 654 3HD2 LEU 82 HD23 LEU 82 -23.441 1.409 -11.102 655 H ALA 83 HN ALA 83 -20.166 2.238 -13.431 656 HA ALA 83 HA ALA 83 -19.811 4.678 -14.833 657 1HB ALA 83 HB1 ALA 83 -17.904 4.855 -13.286 658 2HB ALA 83 HB2 ALA 83 -17.338 4.503 -14.920 659 3HB ALA 83 HB3 ALA 83 -17.396 3.220 -13.712 660 H ALA 84 HN ALA 84 -18.971 4.117 -16.980 661 HA ALA 84 HA ALA 84 -18.540 1.403 -17.708 662 1HB ALA 84 HB1 ALA 84 -20.981 1.300 -17.402 663 2HB ALA 84 HB2 ALA 84 -20.552 1.138 -19.105 664 3HB ALA 84 HB3 ALA 84 -21.180 2.668 -18.496 665 HA PRO 85 HA PRO 85 -16.529 3.885 -20.832 666 1HB PRO 85 HB2 PRO 85 -16.399 1.272 -22.247 667 2HB PRO 85 HB1 PRO 85 -15.091 2.389 -21.840 668 1HG PRO 85 HG2 PRO 85 -15.387 0.110 -20.503 669 2HG PRO 85 HG1 PRO 85 -14.914 1.603 -19.666 670 1HD PRO 85 HD2 PRO 85 -17.585 0.258 -19.781 671 2HD PRO 85 HD1 PRO 85 -16.772 1.036 -18.406 672 H LYS 86 HN LYS 86 -18.003 5.089 -21.851 673 HA LYS 86 HA LYS 86 -19.876 3.719 -23.593 674 1HB LYS 86 HB2 LYS 86 -20.173 6.348 -22.144 675 2HB LYS 86 HB1 LYS 86 -21.269 5.801 -23.404 676 1HG LYS 86 HG2 LYS 86 -21.821 3.826 -22.032 677 2HG LYS 86 HG1 LYS 86 -20.764 4.445 -20.759 678 1HD LYS 86 HD2 LYS 86 -22.147 6.442 -20.562 679 2HD LYS 86 HD1 LYS 86 -23.172 5.874 -21.880 680 1HE LYS 86 HE2 LYS 86 -23.780 3.906 -20.524 681 2HE LYS 86 HE1 LYS 86 -22.794 4.532 -19.203 682 1HZ LYS 86 HZ1 LYS 86 -25.160 5.899 -20.378 683 2HZ LYS 86 HZ2 LYS 86 -24.247 6.459 -19.068 684 3HZ LYS 86 HZ3 LYS 86 -25.150 5.046 -18.922 685 H SER 87 HN SER 87 -18.128 3.621 -25.022 686 HA SER 87 HA SER 87 -17.287 6.044 -26.358 687 1HB SER 87 HB2 SER 87 -16.782 3.153 -27.085 688 2HB SER 87 HB1 SER 87 -15.836 4.560 -27.572 689 HG SER 87 HG SER 87 -15.360 3.038 -25.556 690 H LYS 88 HN LYS 88 -19.273 3.205 -26.804 691 HA LYS 88 HA LYS 88 -20.455 4.357 -29.232 692 1HB LYS 88 HB2 LYS 88 -19.236 2.487 -29.986 693 2HB LYS 88 HB1 LYS 88 -19.668 1.525 -28.586 694 1HG LYS 88 HG2 LYS 88 -20.760 0.738 -30.626 695 2HG LYS 88 HG1 LYS 88 -21.932 1.276 -29.426 696 1HD LYS 88 HD2 LYS 88 -22.083 3.442 -30.658 697 2HD LYS 88 HD1 LYS 88 -21.029 2.748 -31.897 698 1HE LYS 88 HE2 LYS 88 -23.376 2.566 -32.545 699 2HE LYS 88 HE1 LYS 88 -22.657 0.977 -32.298 700 1HZ LYS 88 HZ1 LYS 88 -24.870 1.125 -31.327 701 2HZ LYS 88 HZ2 LYS 88 -24.424 2.403 -30.358 702 3HZ LYS 88 HZ3 LYS 88 -23.729 0.863 -30.122 703 H ASN 89 HN ASN 89 -20.967 2.564 -26.252 704 HA ASN 89 HA ASN 89 -22.751 2.095 -24.999 705 1HB ASN 89 HB2 ASN 89 -24.397 3.933 -26.815 706 2HB ASN 89 HB1 ASN 89 -25.013 3.159 -25.372 707 1HD2 ASN 89 HD21 ASN 89 -21.923 4.810 -25.810 708 2HD2 ASN 89 HD22 ASN 89 -22.269 6.088 -24.678 Start of MODEL 29 1 1H GLY 1 HT1 GLY 1 -17.407 4.765 10.285 2 2H GLY 1 HT2 GLY 1 -17.201 4.943 11.961 3 3H GLY 1 HT3 GLY 1 -16.896 3.433 11.213 4 1HA GLY 1 HA1 GLY 1 -15.051 4.292 10.072 5 2HA GLY 1 HA2 GLY 1 -15.391 5.900 10.711 6 H ASP 2 HN ASP 2 -13.695 3.063 11.166 7 HA ASP 2 HA ASP 2 -13.213 3.728 13.981 8 1HB ASP 2 HB2 ASP 2 -12.493 1.217 12.420 9 2HB ASP 2 HB1 ASP 2 -11.976 1.530 14.072 10 H GLY 3 HN GLY 3 -12.045 5.519 13.596 11 1HA GLY 3 HA2 GLY 3 -9.822 6.344 13.609 12 2HA GLY 3 HA1 GLY 3 -9.374 5.057 12.482 13 H GLU 4 HN GLU 4 -10.204 5.115 10.371 14 HA GLU 4 HA GLU 4 -11.732 7.290 9.385 15 1HB GLU 4 HB2 GLU 4 -9.555 8.445 9.581 16 2HB GLU 4 HB1 GLU 4 -8.770 7.204 8.631 17 1HG GLU 4 HG2 GLU 4 -10.155 7.867 6.697 18 2HG GLU 4 HG1 GLU 4 -10.877 9.139 7.680 19 H ALA 5 HN ALA 5 -9.116 5.412 7.896 20 HA ALA 5 HA ALA 5 -10.423 3.284 6.811 21 1HB ALA 5 HB1 ALA 5 -11.738 4.883 5.449 22 2HB ALA 5 HB2 ALA 5 -10.565 4.056 4.424 23 3HB ALA 5 HB3 ALA 5 -10.253 5.706 4.963 24 H GLN 6 HN GLN 6 -8.840 2.722 4.736 25 HA GLN 6 HA GLN 6 -6.239 3.451 5.806 26 1HB GLN 6 HB2 GLN 6 -6.801 1.005 5.410 27 2HB GLN 6 HB1 GLN 6 -6.776 1.358 3.685 28 1HG GLN 6 HG2 GLN 6 -4.466 1.963 3.773 29 2HG GLN 6 HG1 GLN 6 -4.452 1.845 5.530 30 1HE2 GLN 6 HE21 GLN 6 -4.504 -0.198 6.478 31 2HE2 GLN 6 HE22 GLN 6 -4.071 -1.612 5.567 32 H ARG 7 HN ARG 7 -4.961 4.770 4.834 33 HA ARG 7 HA ARG 7 -5.968 6.266 2.581 34 1HB ARG 7 HB2 ARG 7 -4.278 7.858 3.034 35 2HB ARG 7 HB1 ARG 7 -4.829 7.298 4.601 36 1HG ARG 7 HG2 ARG 7 -2.308 6.434 3.195 37 2HG ARG 7 HG1 ARG 7 -2.371 7.643 4.484 38 1HD ARG 7 HD2 ARG 7 -2.839 4.677 4.593 39 2HD ARG 7 HD1 ARG 7 -1.655 5.631 5.487 40 HE ARG 7 HE ARG 7 -4.253 6.492 6.127 41 1HH1 ARG 7 HH11 ARG 7 -1.963 3.900 6.864 42 2HH1 ARG 7 HH12 ARG 7 -2.820 3.372 8.234 43 1HH2 ARG 7 HH21 ARG 7 -5.407 5.779 7.888 44 2HH2 ARG 7 HH22 ARG 7 -4.868 4.493 8.882 45 H ASP 8 HN ASP 8 -4.032 7.049 1.059 46 HA ASP 8 HA ASP 8 -3.290 4.915 -0.635 47 1HB ASP 8 HB2 ASP 8 -2.059 7.666 -0.302 48 2HB ASP 8 HB1 ASP 8 -1.626 6.542 -1.570 49 H LEU 9 HN LEU 9 -1.870 3.353 -0.064 50 HA LEU 9 HA LEU 9 -0.140 3.591 2.127 51 1HB LEU 9 HB2 LEU 9 -0.051 1.621 -0.149 52 2HB LEU 9 HB1 LEU 9 0.870 1.483 1.333 53 HG LEU 9 HG LEU 9 -2.129 1.364 1.081 54 1HD1 LEU 9 HD11 LEU 9 -1.846 -0.938 1.832 55 2HD1 LEU 9 HD12 LEU 9 -0.095 -0.729 1.825 56 3HD1 LEU 9 HD13 LEU 9 -1.001 -0.644 0.314 57 1HD2 LEU 9 HD21 LEU 9 -1.465 2.490 3.128 58 2HD2 LEU 9 HD22 LEU 9 -0.377 1.158 3.523 59 3HD2 LEU 9 HD23 LEU 9 -2.126 0.889 3.475 60 H VAL 10 HN VAL 10 0.198 4.591 -1.076 61 HA VAL 10 HA VAL 10 3.009 4.703 -1.228 62 HB VAL 10 HB VAL 10 0.862 6.249 -2.713 63 1HG1 VAL 10 HG11 VAL 10 2.590 6.912 -4.325 64 2HG1 VAL 10 HG12 VAL 10 3.831 6.182 -3.306 65 3HG1 VAL 10 HG13 VAL 10 2.929 7.587 -2.731 66 1HG2 VAL 10 HG21 VAL 10 0.921 3.871 -3.118 67 2HG2 VAL 10 HG22 VAL 10 2.643 3.964 -3.495 68 3HG2 VAL 10 HG23 VAL 10 1.466 4.763 -4.537 69 H LYS 11 HN LYS 11 0.605 6.836 0.212 70 HA LYS 11 HA LYS 11 2.320 9.086 0.493 71 1HB LYS 11 HB2 LYS 11 -0.165 8.345 2.066 72 2HB LYS 11 HB1 LYS 11 0.712 9.873 2.146 73 1HG LYS 11 HG2 LYS 11 -0.599 8.816 -0.352 74 2HG LYS 11 HG1 LYS 11 -1.344 9.972 0.754 75 1HD LYS 11 HD2 LYS 11 0.481 11.542 0.357 76 2HD LYS 11 HD1 LYS 11 1.263 10.377 -0.711 77 1HE LYS 11 HE2 LYS 11 0.111 12.039 -2.024 78 2HE LYS 11 HE1 LYS 11 -0.666 10.480 -2.218 79 1HZ LYS 11 HZ1 LYS 11 -2.473 11.199 -0.760 80 2HZ LYS 11 HZ2 LYS 11 -2.253 12.303 -1.972 81 3HZ LYS 11 HZ3 LYS 11 -1.691 12.664 -0.431 82 H ALA 12 HN ALA 12 2.168 6.119 2.042 83 HA ALA 12 HA ALA 12 3.668 7.118 4.354 84 1HB ALA 12 HB1 ALA 12 2.329 4.438 3.956 85 2HB ALA 12 HB2 ALA 12 1.675 5.789 4.879 86 3HB ALA 12 HB3 ALA 12 3.149 4.982 5.425 87 H VAL 13 HN VAL 13 3.631 4.326 2.139 88 HA VAL 13 HA VAL 13 6.192 3.394 2.797 89 HB VAL 13 HB VAL 13 4.476 2.826 0.365 90 1HG1 VAL 13 HG11 VAL 13 6.924 1.345 1.344 91 2HG1 VAL 13 HG12 VAL 13 6.795 2.298 -0.137 92 3HG1 VAL 13 HG13 VAL 13 5.849 0.819 0.043 93 1HG2 VAL 13 HG21 VAL 13 3.933 0.746 1.555 94 2HG2 VAL 13 HG22 VAL 13 3.448 2.177 2.471 95 3HG2 VAL 13 HG23 VAL 13 4.899 1.288 2.929 96 H ALA 14 HN ALA 14 5.108 5.423 0.065 97 HA ALA 14 HA ALA 14 7.724 5.441 -1.067 98 1HB ALA 14 HB1 ALA 14 6.868 7.141 -2.625 99 2HB ALA 14 HB2 ALA 14 5.418 7.324 -1.625 100 3HB ALA 14 HB3 ALA 14 5.713 5.811 -2.469 101 H HIS 15 HN HIS 15 6.050 7.260 1.308 102 HA HIS 15 HA HIS 15 7.757 9.538 1.274 103 1HB HIS 15 HB2 HIS 15 5.439 9.540 2.236 104 2HB HIS 15 HB1 HIS 15 6.033 8.554 3.566 105 HD1 HIS 15 HD1 HIS 15 6.848 9.807 5.553 106 HD2 HIS 15 HD2 HIS 15 6.731 12.181 2.153 107 HE1 HIS 15 HE1 HIS 15 7.435 12.126 6.326 108 HE2 HIS 15 HE2 HIS 15 7.045 13.567 4.295 109 H ILE 16 HN ILE 16 7.980 6.388 2.651 110 HA ILE 16 HA ILE 16 10.024 6.881 4.550 111 HB ILE 16 HB ILE 16 9.358 4.355 2.989 112 1HG1 ILE 16 HG12 ILE 16 7.503 5.080 4.396 113 2HG1 ILE 16 HG11 ILE 16 8.214 3.605 5.039 114 1HG2 ILE 16 HG21 ILE 16 11.629 4.172 3.792 115 2HG2 ILE 16 HG22 ILE 16 10.575 3.093 4.712 116 3HG2 ILE 16 HG23 ILE 16 11.116 4.608 5.424 117 1HD1 ILE 16 HD11 ILE 16 8.662 6.397 6.087 118 2HD1 ILE 16 HD12 ILE 16 9.388 4.927 6.735 119 3HD1 ILE 16 HD13 ILE 16 7.641 5.155 6.818 120 H LEU 17 HN LEU 17 9.989 6.077 1.156 121 HA LEU 17 HA LEU 17 12.847 5.915 0.823 122 1HB LEU 17 HB2 LEU 17 10.628 6.169 -1.202 123 2HB LEU 17 HB1 LEU 17 12.295 5.785 -1.568 124 HG LEU 17 HG LEU 17 10.509 4.039 0.129 125 1HD1 LEU 17 HD11 LEU 17 9.657 4.198 -2.142 126 2HD1 LEU 17 HD12 LEU 17 10.365 2.614 -1.838 127 3HD1 LEU 17 HD13 LEU 17 11.256 3.813 -2.777 128 1HD2 LEU 17 HD21 LEU 17 13.171 3.543 -1.191 129 2HD2 LEU 17 HD22 LEU 17 12.232 2.366 -0.272 130 3HD2 LEU 17 HD23 LEU 17 12.906 3.785 0.535 131 H GLY 18 HN GLY 18 10.352 8.306 0.333 132 1HA GLY 18 HA2 GLY 18 10.964 10.660 0.589 133 2HA GLY 18 HA1 GLY 18 12.435 10.298 -0.309 134 H ILE 19 HN ILE 19 9.402 8.920 -1.232 135 HA ILE 19 HA ILE 19 9.231 10.763 -3.461 136 HB ILE 19 HB ILE 19 8.312 8.710 -4.696 137 1HG1 ILE 19 HG12 ILE 19 10.132 7.317 -2.730 138 2HG1 ILE 19 HG11 ILE 19 8.389 7.127 -2.865 139 1HG2 ILE 19 HG21 ILE 19 10.569 8.217 -5.627 140 2HG2 ILE 19 HG22 ILE 19 11.285 9.093 -4.275 141 3HG2 ILE 19 HG23 ILE 19 10.268 9.943 -5.441 142 1HD1 ILE 19 HD11 ILE 19 8.669 6.148 -5.082 143 2HD1 ILE 19 HD12 ILE 19 9.576 5.253 -3.863 144 3HD1 ILE 19 HD13 ILE 19 10.415 6.352 -4.956 145 H ARG 20 HN ARG 20 7.179 10.262 -4.633 146 HA ARG 20 HA ARG 20 4.882 9.141 -3.710 147 1HB ARG 20 HB2 ARG 20 4.839 10.761 -1.819 148 2HB ARG 20 HB1 ARG 20 5.051 12.103 -2.929 149 1HG ARG 20 HG2 ARG 20 2.644 10.328 -3.188 150 2HG ARG 20 HG1 ARG 20 2.689 11.571 -1.937 151 1HD ARG 20 HD2 ARG 20 2.829 13.312 -3.526 152 2HD ARG 20 HD1 ARG 20 3.273 12.202 -4.821 153 HE ARG 20 HE ARG 20 0.946 11.308 -4.546 154 1HH1 ARG 20 HH11 ARG 20 1.548 14.631 -3.487 155 2HH1 ARG 20 HH12 ARG 20 0.119 15.258 -4.141 156 1HH2 ARG 20 HH21 ARG 20 -1.044 12.186 -5.504 157 2HH2 ARG 20 HH22 ARG 20 -1.359 13.853 -5.322 158 H ASP 21 HN ASP 21 6.389 11.889 -5.099 159 HA ASP 21 HA ASP 21 4.678 12.347 -7.314 160 1HB ASP 21 HB2 ASP 21 6.515 13.654 -8.180 161 2HB ASP 21 HB1 ASP 21 6.385 13.951 -6.451 162 H LEU 22 HN LEU 22 7.620 10.417 -7.011 163 HA LEU 22 HA LEU 22 8.364 8.631 -8.152 164 1HB LEU 22 HB2 LEU 22 5.483 8.550 -8.917 165 2HB LEU 22 HB1 LEU 22 6.610 7.531 -9.781 166 HG LEU 22 HG LEU 22 5.450 6.366 -8.027 167 1HD1 LEU 22 HD11 LEU 22 7.489 5.402 -6.928 168 2HD1 LEU 22 HD12 LEU 22 8.403 6.773 -7.593 169 3HD1 LEU 22 HD13 LEU 22 7.651 5.624 -8.672 170 1HD2 LEU 22 HD21 LEU 22 5.954 6.796 -5.652 171 2HD2 LEU 22 HD22 LEU 22 5.114 8.147 -6.405 172 3HD2 LEU 22 HD23 LEU 22 6.849 8.240 -6.120 173 H ALA 23 HN ALA 23 8.271 11.453 -9.283 174 HA ALA 23 HA ALA 23 8.174 10.962 -12.077 175 1HB ALA 23 HB1 ALA 23 7.362 13.096 -11.232 176 2HB ALA 23 HB2 ALA 23 8.747 13.359 -12.293 177 3HB ALA 23 HB3 ALA 23 8.945 13.447 -10.542 178 H GLY 24 HN GLY 24 9.823 9.482 -12.354 179 1HA GLY 24 HA2 GLY 24 12.223 9.712 -13.200 180 2HA GLY 24 HA1 GLY 24 12.467 10.417 -11.590 181 H ILE 25 HN ILE 25 10.361 8.322 -10.759 182 HA ILE 25 HA ILE 25 12.386 6.277 -10.150 183 HB ILE 25 HB ILE 25 9.744 6.826 -8.748 184 1HG1 ILE 25 HG12 ILE 25 11.377 8.689 -8.458 185 2HG1 ILE 25 HG11 ILE 25 10.965 7.873 -6.958 186 1HG2 ILE 25 HG21 ILE 25 12.058 5.052 -7.945 187 2HG2 ILE 25 HG22 ILE 25 10.476 4.518 -8.511 188 3HG2 ILE 25 HG23 ILE 25 10.620 5.365 -6.968 189 1HD1 ILE 25 HD11 ILE 25 13.062 6.662 -7.041 190 2HD1 ILE 25 HD12 ILE 25 13.309 8.407 -7.043 191 3HD1 ILE 25 HD13 ILE 25 13.495 7.485 -8.546 192 H ASN 26 HN ASN 26 11.891 4.190 -10.661 193 HA ASN 26 HA ASN 26 9.894 3.931 -12.722 194 1HB ASN 26 HB2 ASN 26 11.897 1.939 -11.669 195 2HB ASN 26 HB1 ASN 26 10.691 1.525 -12.874 196 1HD2 ASN 26 HD21 ASN 26 10.896 4.169 -14.221 197 2HD2 ASN 26 HD22 ASN 26 12.379 4.100 -15.082 198 H LEU 27 HN LEU 27 8.054 2.922 -12.700 199 HA LEU 27 HA LEU 27 6.829 2.312 -10.107 200 1HB LEU 27 HB2 LEU 27 5.663 2.336 -12.896 201 2HB LEU 27 HB1 LEU 27 4.779 2.400 -11.385 202 HG LEU 27 HG LEU 27 6.608 4.601 -12.359 203 1HD1 LEU 27 HD11 LEU 27 4.728 4.329 -13.873 204 2HD1 LEU 27 HD12 LEU 27 4.595 5.812 -12.928 205 3HD1 LEU 27 HD13 LEU 27 3.609 4.406 -12.507 206 1HD2 LEU 27 HD21 LEU 27 5.510 5.947 -10.668 207 2HD2 LEU 27 HD22 LEU 27 6.235 4.525 -9.911 208 3HD2 LEU 27 HD23 LEU 27 4.498 4.594 -10.208 209 H ASP 28 HN ASP 28 8.707 0.699 -12.057 210 HA ASP 28 HA ASP 28 7.177 -1.826 -12.068 211 1HB ASP 28 HB2 ASP 28 9.569 -1.049 -13.751 212 2HB ASP 28 HB1 ASP 28 8.752 -2.605 -13.800 213 H SER 29 HN SER 29 9.418 -0.219 -10.334 214 HA SER 29 HA SER 29 11.347 -2.307 -9.994 215 1HB SER 29 HB2 SER 29 10.893 0.264 -8.491 216 2HB SER 29 HB1 SER 29 12.342 -0.731 -8.400 217 HG SER 29 HG SER 29 12.584 -0.349 -10.696 218 H SER 30 HN SER 30 11.253 -3.861 -8.501 219 HA SER 30 HA SER 30 8.984 -4.232 -6.858 220 1HB SER 30 HB2 SER 30 11.651 -5.561 -7.110 221 2HB SER 30 HB1 SER 30 10.472 -6.120 -5.941 222 HG SER 30 HG SER 30 9.696 -5.788 -8.653 223 H LEU 31 HN LEU 31 9.227 -4.598 -4.480 224 HA LEU 31 HA LEU 31 10.101 -2.204 -3.274 225 1HB LEU 31 HB2 LEU 31 8.181 -3.692 -2.568 226 2HB LEU 31 HB1 LEU 31 9.378 -4.775 -1.885 227 HG LEU 31 HG LEU 31 10.100 -3.023 -0.339 228 1HD1 LEU 31 HD11 LEU 31 8.811 -0.931 -0.234 229 2HD1 LEU 31 HD12 LEU 31 7.945 -1.457 -1.708 230 3HD1 LEU 31 HD13 LEU 31 9.673 -1.161 -1.764 231 1HD2 LEU 31 HD21 LEU 31 7.112 -3.414 -0.365 232 2HD2 LEU 31 HD22 LEU 31 8.084 -2.916 1.021 233 3HD2 LEU 31 HD23 LEU 31 8.292 -4.525 0.329 234 H ALA 32 HN ALA 32 11.539 -5.281 -3.762 235 HA ALA 32 HA ALA 32 13.542 -4.975 -1.810 236 1HB ALA 32 HB1 ALA 32 12.910 -7.182 -2.618 237 2HB ALA 32 HB2 ALA 32 14.640 -6.907 -2.840 238 3HB ALA 32 HB3 ALA 32 13.536 -6.784 -4.212 239 H ASP 33 HN ASP 33 13.196 -3.938 -5.125 240 HA ASP 33 HA ASP 33 15.892 -3.395 -5.712 241 1HB ASP 33 HB2 ASP 33 13.348 -2.068 -6.713 242 2HB ASP 33 HB1 ASP 33 14.941 -1.646 -7.308 243 H LEU 34 HN LEU 34 13.239 -1.592 -4.466 244 HA LEU 34 HA LEU 34 14.305 0.924 -3.992 245 1HB LEU 34 HB2 LEU 34 12.081 -0.655 -2.747 246 2HB LEU 34 HB1 LEU 34 12.466 0.947 -2.176 247 HG LEU 34 HG LEU 34 11.584 1.980 -4.117 248 1HD1 LEU 34 HD11 LEU 34 11.663 -0.671 -5.552 249 2HD1 LEU 34 HD12 LEU 34 12.791 0.659 -5.817 250 3HD1 LEU 34 HD13 LEU 34 11.083 0.862 -6.204 251 1HD2 LEU 34 HD21 LEU 34 9.411 0.890 -4.476 252 2HD2 LEU 34 HD22 LEU 34 9.878 0.983 -2.770 253 3HD2 LEU 34 HD23 LEU 34 10.054 -0.536 -3.646 254 H GLY 35 HN GLY 35 13.987 -1.804 -1.720 255 1HA GLY 35 HA2 GLY 35 16.413 -1.892 -0.630 256 2HA GLY 35 HA1 GLY 35 15.827 -0.399 0.065 257 H LEU 36 HN LEU 36 13.478 -2.940 -0.366 258 HA LEU 36 HA LEU 36 13.030 -3.119 2.375 259 1HB LEU 36 HB2 LEU 36 11.171 -3.730 1.387 260 2HB LEU 36 HB1 LEU 36 11.876 -4.428 -0.017 261 HG LEU 36 HG LEU 36 12.347 -6.478 1.499 262 1HD1 LEU 36 HD11 LEU 36 10.382 -5.049 3.270 263 2HD1 LEU 36 HD12 LEU 36 12.073 -5.395 3.645 264 3HD1 LEU 36 HD13 LEU 36 10.920 -6.718 3.453 265 1HD2 LEU 36 HD21 LEU 36 10.611 -6.479 -0.190 266 2HD2 LEU 36 HD22 LEU 36 9.505 -5.672 0.920 267 3HD2 LEU 36 HD23 LEU 36 10.056 -7.313 1.262 268 H ASP 37 HN ASP 37 14.217 -3.838 3.809 269 HA ASP 37 HA ASP 37 15.634 -6.397 3.463 270 1HB ASP 37 HB2 ASP 37 17.536 -5.612 4.695 271 2HB ASP 37 HB1 ASP 37 17.202 -4.390 3.479 272 H SER 38 HN SER 38 13.863 -4.196 5.560 273 HA SER 38 HA SER 38 13.032 -6.407 7.167 274 1HB SER 38 HB2 SER 38 15.287 -5.802 8.122 275 2HB SER 38 HB1 SER 38 14.642 -4.209 8.503 276 HG SER 38 HG SER 38 14.313 -6.620 9.706 277 H LEU 39 HN LEU 39 13.357 -2.858 7.624 278 HA LEU 39 HA LEU 39 10.880 -2.497 8.820 279 1HB LEU 39 HB2 LEU 39 12.678 -0.839 8.897 280 2HB LEU 39 HB1 LEU 39 12.430 -0.492 7.196 281 HG LEU 39 HG LEU 39 10.101 0.218 7.753 282 1HD1 LEU 39 HD11 LEU 39 11.076 0.019 10.588 283 2HD1 LEU 39 HD12 LEU 39 9.813 -0.956 9.839 284 3HD1 LEU 39 HD13 LEU 39 9.570 0.776 10.069 285 1HD2 LEU 39 HD21 LEU 39 12.340 1.726 9.087 286 2HD2 LEU 39 HD22 LEU 39 10.756 2.386 8.660 287 3HD2 LEU 39 HD23 LEU 39 11.856 1.834 7.393 288 H MET 40 HN MET 40 11.729 -2.434 5.418 289 HA MET 40 HA MET 40 9.194 -1.384 4.603 290 1HB MET 40 HB2 MET 40 11.334 -2.700 2.946 291 2HB MET 40 HB1 MET 40 9.915 -1.866 2.316 292 1HG MET 40 HG2 MET 40 10.631 0.205 3.339 293 2HG MET 40 HG1 MET 40 12.019 -0.607 4.052 294 1HE MET 40 HE1 MET 40 12.461 2.022 2.557 295 2HE MET 40 HE2 MET 40 13.817 1.621 1.503 296 3HE MET 40 HE3 MET 40 13.776 1.012 3.158 297 H GLY 41 HN GLY 41 9.850 -4.297 5.848 298 1HA GLY 41 HA2 GLY 41 7.540 -5.481 4.451 299 2HA GLY 41 HA1 GLY 41 8.769 -6.406 5.316 300 H VAL 42 HN VAL 42 8.943 -4.601 7.520 301 HA VAL 42 HA VAL 42 6.825 -5.642 9.134 302 HB VAL 42 HB VAL 42 8.970 -3.601 9.834 303 1HG1 VAL 42 HG11 VAL 42 7.173 -5.197 11.651 304 2HG1 VAL 42 HG12 VAL 42 7.086 -3.459 11.353 305 3HG1 VAL 42 HG13 VAL 42 8.496 -4.143 12.161 306 1HG2 VAL 42 HG21 VAL 42 10.115 -5.460 10.920 307 2HG2 VAL 42 HG22 VAL 42 9.913 -5.755 9.190 308 3HG2 VAL 42 HG23 VAL 42 8.858 -6.560 10.359 309 H GLU 43 HN GLU 43 7.682 -2.400 7.951 310 HA GLU 43 HA GLU 43 5.725 -0.917 9.251 311 1HB GLU 43 HB2 GLU 43 7.628 0.001 7.899 312 2HB GLU 43 HB1 GLU 43 6.791 -0.503 6.442 313 1HG GLU 43 HG2 GLU 43 6.349 1.812 6.653 314 2HG GLU 43 HG1 GLU 43 4.898 0.975 7.162 315 H VAL 44 HN VAL 44 5.702 -2.641 6.217 316 HA VAL 44 HA VAL 44 3.133 -1.924 5.316 317 HB VAL 44 HB VAL 44 4.777 -4.398 4.673 318 1HG1 VAL 44 HG11 VAL 44 3.442 -4.555 2.627 319 2HG1 VAL 44 HG12 VAL 44 2.433 -3.217 3.187 320 3HG1 VAL 44 HG13 VAL 44 2.453 -4.741 4.076 321 1HG2 VAL 44 HG21 VAL 44 5.946 -2.339 4.145 322 2HG2 VAL 44 HG22 VAL 44 4.555 -1.756 3.228 323 3HG2 VAL 44 HG23 VAL 44 5.457 -3.169 2.673 324 H ARG 45 HN ARG 45 4.298 -4.813 7.022 325 HA ARG 45 HA ARG 45 1.728 -5.911 7.183 326 1HB ARG 45 HB2 ARG 45 4.316 -6.620 8.451 327 2HB ARG 45 HB1 ARG 45 2.858 -7.411 9.022 328 1HG ARG 45 HG2 ARG 45 2.381 -7.999 6.613 329 2HG ARG 45 HG1 ARG 45 4.003 -7.419 6.244 330 1HD ARG 45 HD2 ARG 45 3.387 -9.586 8.235 331 2HD ARG 45 HD1 ARG 45 3.801 -9.886 6.549 332 HE ARG 45 HE ARG 45 5.833 -8.356 7.457 333 1HH1 ARG 45 HH11 ARG 45 4.354 -11.351 8.640 334 2HH1 ARG 45 HH12 ARG 45 5.812 -12.020 9.205 335 1HH2 ARG 45 HH21 ARG 45 7.882 -9.324 8.199 336 2HH2 ARG 45 HH22 ARG 45 7.837 -10.837 8.980 337 H GLN 46 HN GLN 46 3.348 -3.693 9.317 338 HA GLN 46 HA GLN 46 1.240 -4.032 11.251 339 1HB GLN 46 HB2 GLN 46 3.506 -2.034 11.159 340 2HB GLN 46 HB1 GLN 46 2.312 -2.102 12.449 341 1HG GLN 46 HG2 GLN 46 3.029 -4.440 12.911 342 2HG GLN 46 HG1 GLN 46 4.277 -4.241 11.698 343 1HE2 GLN 46 HE21 GLN 46 3.311 -1.706 13.918 344 2HE2 GLN 46 HE22 GLN 46 4.781 -1.687 14.818 345 H ILE 47 HN ILE 47 1.101 -2.805 8.366 346 HA ILE 47 HA ILE 47 -0.862 -0.750 9.151 347 HB ILE 47 HB ILE 47 0.324 -1.278 6.385 348 1HG1 ILE 47 HG12 ILE 47 0.717 1.104 8.187 349 2HG1 ILE 47 HG11 ILE 47 1.867 -0.232 8.053 350 1HG2 ILE 47 HG21 ILE 47 -1.968 -0.466 6.274 351 2HG2 ILE 47 HG22 ILE 47 -0.846 0.781 5.718 352 3HG2 ILE 47 HG23 ILE 47 -1.559 0.884 7.331 353 1HD1 ILE 47 HD11 ILE 47 2.600 1.664 6.725 354 2HD1 ILE 47 HD12 ILE 47 1.065 1.673 5.853 355 3HD1 ILE 47 HD13 ILE 47 2.175 0.315 5.673 356 H LEU 48 HN LEU 48 -0.339 -3.386 6.836 357 HA LEU 48 HA LEU 48 -3.059 -3.593 6.202 358 1HB LEU 48 HB2 LEU 48 -0.726 -5.367 5.578 359 2HB LEU 48 HB1 LEU 48 -2.349 -5.829 5.122 360 HG LEU 48 HG LEU 48 -1.372 -4.885 3.203 361 1HD1 LEU 48 HD11 LEU 48 -2.730 -2.932 2.732 362 2HD1 LEU 48 HD12 LEU 48 -3.065 -2.770 4.452 363 3HD1 LEU 48 HD13 LEU 48 -3.649 -4.191 3.574 364 1HD2 LEU 48 HD21 LEU 48 -0.354 -2.655 3.110 365 2HD2 LEU 48 HD22 LEU 48 0.516 -3.722 4.210 366 3HD2 LEU 48 HD23 LEU 48 -0.567 -2.488 4.854 367 H GLU 49 HN GLU 49 -1.075 -5.664 8.364 368 HA GLU 49 HA GLU 49 -3.287 -7.337 9.011 369 1HB GLU 49 HB2 GLU 49 -0.723 -6.850 10.545 370 2HB GLU 49 HB1 GLU 49 -1.894 -8.095 10.927 371 1HG GLU 49 HG2 GLU 49 -1.460 -9.127 8.728 372 2HG GLU 49 HG1 GLU 49 -0.226 -7.902 8.429 373 H ARG 50 HN ARG 50 -2.093 -4.379 10.123 374 HA ARG 50 HA ARG 50 -3.262 -4.240 12.695 375 1HB ARG 50 HB2 ARG 50 -1.359 -2.906 11.826 376 2HB ARG 50 HB1 ARG 50 -2.482 -2.029 10.815 377 1HG ARG 50 HG2 ARG 50 -1.918 -0.689 12.697 378 2HG ARG 50 HG1 ARG 50 -3.594 -1.204 12.871 379 1HD ARG 50 HD2 ARG 50 -1.291 -2.618 14.174 380 2HD ARG 50 HD1 ARG 50 -2.147 -1.287 14.951 381 HE ARG 50 HE ARG 50 -4.176 -2.711 14.606 382 1HH1 ARG 50 HH11 ARG 50 -0.970 -4.112 15.058 383 2HH1 ARG 50 HH12 ARG 50 -1.501 -5.515 15.852 384 1HH2 ARG 50 HH21 ARG 50 -4.967 -4.619 15.620 385 2HH2 ARG 50 HH22 ARG 50 -3.879 -5.859 16.127 386 H GLU 51 HN GLU 51 -4.189 -2.704 9.617 387 HA GLU 51 HA GLU 51 -6.705 -1.801 10.702 388 1HB GLU 51 HB2 GLU 51 -5.468 -1.570 7.980 389 2HB GLU 51 HB1 GLU 51 -7.051 -0.933 8.384 390 1HG GLU 51 HG2 GLU 51 -4.482 -0.152 9.719 391 2HG GLU 51 HG1 GLU 51 -5.317 0.772 8.469 392 H HIS 52 HN HIS 52 -5.709 -4.080 8.193 393 HA HIS 52 HA HIS 52 -8.557 -4.640 7.696 394 1HB HIS 52 HB2 HIS 52 -7.113 -3.623 5.893 395 2HB HIS 52 HB1 HIS 52 -6.187 -5.108 5.877 396 HD1 HIS 52 HD1 HIS 52 -9.336 -3.567 4.701 397 HD2 HIS 52 HD2 HIS 52 -7.497 -7.285 4.589 398 HE1 HIS 52 HE1 HIS 52 -10.548 -4.873 2.919 399 HE2 HIS 52 HE2 HIS 52 -9.046 -6.858 2.603 400 H ASP 53 HN ASP 53 -6.113 -5.932 9.438 401 HA ASP 53 HA ASP 53 -5.426 -7.998 10.159 402 1HB ASP 53 HB2 ASP 53 -8.160 -8.863 9.124 403 2HB ASP 53 HB1 ASP 53 -7.100 -9.898 10.062 404 H LEU 54 HN LEU 54 -4.936 -7.116 7.455 405 HA LEU 54 HA LEU 54 -5.121 -9.439 5.742 406 1HB LEU 54 HB2 LEU 54 -5.760 -7.238 4.954 407 2HB LEU 54 HB1 LEU 54 -4.147 -6.646 5.255 408 HG LEU 54 HG LEU 54 -3.271 -8.112 3.496 409 1HD1 LEU 54 HD11 LEU 54 -4.910 -9.933 3.715 410 2HD1 LEU 54 HD12 LEU 54 -4.818 -9.343 2.055 411 3HD1 LEU 54 HD13 LEU 54 -6.169 -8.869 3.084 412 1HD2 LEU 54 HD21 LEU 54 -5.643 -6.479 2.703 413 2HD2 LEU 54 HD22 LEU 54 -4.308 -6.945 1.629 414 3HD2 LEU 54 HD23 LEU 54 -4.022 -5.858 3.000 415 H VAL 55 HN VAL 55 -3.638 -10.874 6.050 416 HA VAL 55 HA VAL 55 -0.956 -10.115 6.839 417 HB VAL 55 HB VAL 55 -2.072 -12.889 6.335 418 1HG1 VAL 55 HG11 VAL 55 0.458 -12.002 7.735 419 2HG1 VAL 55 HG12 VAL 55 0.361 -12.799 6.165 420 3HG1 VAL 55 HG13 VAL 55 -0.125 -13.664 7.623 421 1HG2 VAL 55 HG21 VAL 55 -2.226 -13.080 8.779 422 2HG2 VAL 55 HG22 VAL 55 -3.266 -11.797 8.158 423 3HG2 VAL 55 HG23 VAL 55 -1.734 -11.395 8.934 424 H LEU 56 HN LEU 56 0.135 -9.336 5.223 425 HA LEU 56 HA LEU 56 0.319 -10.944 2.780 426 1HB LEU 56 HB2 LEU 56 0.925 -8.012 3.149 427 2HB LEU 56 HB1 LEU 56 1.135 -8.907 1.669 428 HG LEU 56 HG LEU 56 -1.527 -8.348 2.983 429 1HD1 LEU 56 HD11 LEU 56 -1.897 -6.867 1.065 430 2HD1 LEU 56 HD12 LEU 56 -0.251 -7.177 0.516 431 3HD1 LEU 56 HD13 LEU 56 -0.528 -6.340 2.043 432 1HD2 LEU 56 HD21 LEU 56 -0.873 -9.638 0.330 433 2HD2 LEU 56 HD22 LEU 56 -2.491 -9.264 0.926 434 3HD2 LEU 56 HD23 LEU 56 -1.501 -10.469 1.752 435 HA PRO 57 HA PRO 57 4.335 -11.501 4.775 436 1HB PRO 57 HB2 PRO 57 4.532 -13.640 2.772 437 2HB PRO 57 HB1 PRO 57 4.646 -13.761 4.533 438 1HG PRO 57 HG2 PRO 57 2.520 -14.717 3.216 439 2HG PRO 57 HG1 PRO 57 2.326 -13.903 4.783 440 1HD PRO 57 HD2 PRO 57 1.917 -12.816 2.020 441 2HD PRO 57 HD1 PRO 57 0.870 -12.666 3.451 442 H ILE 58 HN ILE 58 6.559 -11.553 3.869 443 HA ILE 58 HA ILE 58 6.834 -9.523 1.947 444 HB ILE 58 HB ILE 58 8.891 -11.248 3.355 445 1HG1 ILE 58 HG12 ILE 58 9.676 -9.052 4.245 446 2HG1 ILE 58 HG11 ILE 58 8.378 -8.265 3.367 447 1HG2 ILE 58 HG21 ILE 58 9.597 -9.201 1.254 448 2HG2 ILE 58 HG22 ILE 58 9.858 -10.942 1.150 449 3HG2 ILE 58 HG23 ILE 58 10.735 -9.990 2.344 450 1HD1 ILE 58 HD11 ILE 58 6.746 -9.467 4.727 451 2HD1 ILE 58 HD12 ILE 58 7.847 -8.505 5.715 452 3HD1 ILE 58 HD13 ILE 58 8.059 -10.253 5.602 453 H ARG 59 HN ARG 59 6.525 -12.836 1.576 454 HA ARG 59 HA ARG 59 7.771 -13.383 -0.879 455 1HB ARG 59 HB2 ARG 59 5.050 -14.385 0.015 456 2HB ARG 59 HB1 ARG 59 5.960 -15.032 -1.325 457 1HG ARG 59 HG2 ARG 59 6.109 -16.544 0.506 458 2HG ARG 59 HG1 ARG 59 7.686 -15.785 0.312 459 1HD ARG 59 HD2 ARG 59 7.594 -14.825 2.345 460 2HD ARG 59 HD1 ARG 59 5.898 -14.390 2.159 461 HE ARG 59 HE ARG 59 5.578 -16.903 2.545 462 1HH1 ARG 59 HH11 ARG 59 8.140 -15.032 4.124 463 2HH1 ARG 59 HH12 ARG 59 7.922 -15.746 5.654 464 1HH2 ARG 59 HH21 ARG 59 5.246 -17.862 4.660 465 2HH2 ARG 59 HH22 ARG 59 6.211 -17.404 5.981 466 H GLU 60 HN GLU 60 4.804 -11.691 -0.127 467 HA GLU 60 HA GLU 60 4.332 -11.143 -2.963 468 1HB GLU 60 HB2 GLU 60 2.525 -10.979 -0.575 469 2HB GLU 60 HB1 GLU 60 2.057 -10.489 -2.200 470 1HG GLU 60 HG2 GLU 60 2.451 -12.753 -3.001 471 2HG GLU 60 HG1 GLU 60 2.978 -13.227 -1.388 472 H VAL 61 HN VAL 61 5.087 -9.690 0.071 473 HA VAL 61 HA VAL 61 4.477 -7.030 -0.673 474 HB VAL 61 HB VAL 61 6.230 -8.121 1.561 475 1HG1 VAL 61 HG11 VAL 61 5.318 -5.274 1.171 476 2HG1 VAL 61 HG12 VAL 61 6.978 -5.854 1.023 477 3HG1 VAL 61 HG13 VAL 61 6.160 -5.911 2.585 478 1HG2 VAL 61 HG21 VAL 61 3.473 -6.928 1.562 479 2HG2 VAL 61 HG22 VAL 61 4.348 -7.523 2.977 480 3HG2 VAL 61 HG23 VAL 61 3.865 -8.638 1.695 481 H ARG 62 HN ARG 62 7.266 -9.033 -1.146 482 HA ARG 62 HA ARG 62 9.140 -7.024 -1.646 483 1HB ARG 62 HB2 ARG 62 9.770 -9.315 -1.176 484 2HB ARG 62 HB1 ARG 62 9.034 -9.847 -2.679 485 1HG ARG 62 HG2 ARG 62 10.651 -8.642 -3.952 486 2HG ARG 62 HG1 ARG 62 11.343 -7.947 -2.481 487 1HD ARG 62 HD2 ARG 62 11.994 -10.184 -1.740 488 2HD ARG 62 HD1 ARG 62 11.214 -10.899 -3.148 489 HE ARG 62 HE ARG 62 12.945 -9.288 -4.308 490 1HH1 ARG 62 HH11 ARG 62 13.327 -11.709 -1.780 491 2HH1 ARG 62 HH12 ARG 62 15.004 -11.950 -1.986 492 1HH2 ARG 62 HH21 ARG 62 15.264 -9.636 -4.686 493 2HH2 ARG 62 HH22 ARG 62 16.150 -10.684 -3.686 494 H GLN 63 HN GLN 63 6.503 -8.017 -3.618 495 HA GLN 63 HA GLN 63 7.850 -6.808 -5.906 496 1HB GLN 63 HB2 GLN 63 6.231 -7.904 -7.442 497 2HB GLN 63 HB1 GLN 63 7.165 -9.068 -6.531 498 1HG GLN 63 HG2 GLN 63 4.507 -8.303 -5.463 499 2HG GLN 63 HG1 GLN 63 4.549 -9.274 -6.928 500 1HE2 GLN 63 HE21 GLN 63 7.053 -9.621 -4.565 501 2HE2 GLN 63 HE22 GLN 63 6.512 -11.141 -3.937 502 H LEU 64 HN LEU 64 6.265 -5.754 -3.546 503 HA LEU 64 HA LEU 64 4.148 -4.340 -4.794 504 1HB LEU 64 HB2 LEU 64 5.675 -3.746 -2.249 505 2HB LEU 64 HB1 LEU 64 4.315 -2.790 -2.795 506 HG LEU 64 HG LEU 64 4.207 -5.711 -2.017 507 1HD1 LEU 64 HD11 LEU 64 3.231 -3.244 -0.594 508 2HD1 LEU 64 HD12 LEU 64 4.594 -4.255 -0.110 509 3HD1 LEU 64 HD13 LEU 64 2.958 -4.907 -0.080 510 1HD2 LEU 64 HD21 LEU 64 1.777 -5.410 -2.142 511 2HD2 LEU 64 HD22 LEU 64 2.553 -5.176 -3.705 512 3HD2 LEU 64 HD23 LEU 64 2.012 -3.777 -2.770 513 H THR 65 HN THR 65 4.703 -3.256 -6.569 514 HA THR 65 HA THR 65 7.224 -2.036 -6.996 515 HB THR 65 HB THR 65 6.059 -1.553 -9.211 516 HG1 THR 65 HG1 THR 65 4.047 -2.725 -9.413 517 1HG2 THR 65 HG21 THR 65 6.105 -3.911 -9.835 518 2HG2 THR 65 HG22 THR 65 6.023 -4.318 -8.110 519 3HG2 THR 65 HG23 THR 65 7.469 -3.522 -8.755 520 H LEU 66 HN LEU 66 6.052 -0.765 -4.957 521 HA LEU 66 HA LEU 66 5.623 1.212 -4.025 522 1HB LEU 66 HB2 LEU 66 7.579 1.788 -5.607 523 2HB LEU 66 HB1 LEU 66 6.378 2.555 -6.619 524 HG LEU 66 HG LEU 66 7.613 4.162 -5.211 525 1HD1 LEU 66 HD11 LEU 66 5.378 4.742 -5.902 526 2HD1 LEU 66 HD12 LEU 66 5.704 5.368 -4.281 527 3HD1 LEU 66 HD13 LEU 66 4.713 3.918 -4.494 528 1HD2 LEU 66 HD21 LEU 66 6.336 2.697 -2.911 529 2HD2 LEU 66 HD22 LEU 66 7.237 4.208 -2.793 530 3HD2 LEU 66 HD23 LEU 66 8.055 2.731 -3.307 531 H ARG 67 HN ARG 67 4.401 1.515 -7.369 532 HA ARG 67 HA ARG 67 2.146 2.963 -6.346 533 1HB ARG 67 HB2 ARG 67 2.867 2.121 -9.135 534 2HB ARG 67 HB1 ARG 67 1.305 2.840 -8.764 535 1HG ARG 67 HG2 ARG 67 3.982 4.106 -8.229 536 2HG ARG 67 HG1 ARG 67 2.896 4.507 -9.566 537 1HD ARG 67 HD2 ARG 67 1.151 5.087 -7.914 538 2HD ARG 67 HD1 ARG 67 2.282 4.723 -6.646 539 HE ARG 67 HE ARG 67 3.469 6.627 -7.042 540 1HH1 ARG 67 HH11 ARG 67 1.029 6.423 -9.625 541 2HH1 ARG 67 HH12 ARG 67 0.813 8.102 -9.752 542 1HH2 ARG 67 HH21 ARG 67 3.117 9.033 -7.210 543 2HH2 ARG 67 HH22 ARG 67 2.006 9.605 -8.337 544 H LYS 68 HN LYS 68 2.844 -0.278 -6.877 545 HA LYS 68 HA LYS 68 0.193 -1.231 -6.990 546 1HB LYS 68 HB2 LYS 68 2.260 -2.647 -7.365 547 2HB LYS 68 HB1 LYS 68 2.495 -2.633 -5.617 548 1HG LYS 68 HG2 LYS 68 0.360 -3.685 -5.279 549 2HG LYS 68 HG1 LYS 68 0.054 -3.660 -7.012 550 1HD LYS 68 HD2 LYS 68 2.000 -5.127 -7.334 551 2HD LYS 68 HD1 LYS 68 2.207 -5.194 -5.577 552 1HE LYS 68 HE2 LYS 68 -0.116 -5.992 -5.386 553 2HE LYS 68 HE1 LYS 68 -0.210 -6.053 -7.141 554 1HZ LYS 68 HZ1 LYS 68 1.585 -7.643 -5.405 555 2HZ LYS 68 HZ2 LYS 68 1.586 -7.733 -7.113 556 3HZ LYS 68 HZ3 LYS 68 0.221 -8.182 -6.209 557 H LEU 69 HN LEU 69 2.060 0.123 -4.555 558 HA LEU 69 HA LEU 69 0.616 -0.734 -2.252 559 1HB LEU 69 HB2 LEU 69 2.282 1.724 -2.697 560 2HB LEU 69 HB1 LEU 69 1.344 1.562 -1.234 561 HG LEU 69 HG LEU 69 3.607 0.961 -0.792 562 1HD1 LEU 69 HD11 LEU 69 3.349 -1.303 0.075 563 2HD1 LEU 69 HD12 LEU 69 1.866 -1.480 -0.868 564 3HD1 LEU 69 HD13 LEU 69 1.958 -0.277 0.419 565 1HD2 LEU 69 HD21 LEU 69 4.732 -0.927 -1.882 566 2HD2 LEU 69 HD22 LEU 69 4.338 0.349 -3.037 567 3HD2 LEU 69 HD23 LEU 69 3.354 -1.115 -2.965 568 H GLN 70 HN GLN 70 -0.138 1.736 -4.612 569 HA GLN 70 HA GLN 70 -2.454 2.429 -3.012 570 1HB GLN 70 HB2 GLN 70 -2.879 4.173 -4.891 571 2HB GLN 70 HB1 GLN 70 -1.569 4.449 -3.758 572 1HG GLN 70 HG2 GLN 70 0.033 3.673 -5.384 573 2HG GLN 70 HG1 GLN 70 -1.265 3.341 -6.547 574 1HE2 GLN 70 HE21 GLN 70 -2.134 5.096 -7.646 575 2HE2 GLN 70 HE22 GLN 70 -1.376 6.659 -7.602 576 H GLU 71 HN GLU 71 -1.777 0.032 -4.874 577 HA GLU 71 HA GLU 71 -4.462 -0.229 -6.067 578 1HB GLU 71 HB2 GLU 71 -2.010 -1.999 -6.286 579 2HB GLU 71 HB1 GLU 71 -3.534 -2.268 -7.112 580 1HG GLU 71 HG2 GLU 71 -1.753 0.114 -7.539 581 2HG GLU 71 HG1 GLU 71 -1.742 -1.344 -8.530 582 H MET 72 HN MET 72 -2.432 -1.174 -3.516 583 HA MET 72 HA MET 72 -4.310 -3.241 -2.558 584 1HB MET 72 HB2 MET 72 -1.374 -2.788 -1.942 585 2HB MET 72 HB1 MET 72 -2.374 -3.992 -1.165 586 1HG MET 72 HG2 MET 72 -1.882 -3.985 -4.135 587 2HG MET 72 HG1 MET 72 -0.777 -4.735 -3.002 588 1HE MET 72 HE1 MET 72 -5.102 -6.273 -3.789 589 2HE MET 72 HE2 MET 72 -4.349 -4.966 -4.706 590 3HE MET 72 HE3 MET 72 -4.802 -4.714 -3.021 591 H SER 73 HN SER 73 -4.294 -0.208 -2.337 592 HA SER 73 HA SER 73 -3.436 0.455 0.258 593 1HB SER 73 HB2 SER 73 -4.620 2.641 -0.251 594 2HB SER 73 HB1 SER 73 -3.354 2.137 -1.347 595 HG SER 73 HG SER 73 -5.192 2.821 -2.508 596 H SER 74 HN SER 74 -6.190 -1.108 -0.843 597 HA SER 74 HA SER 74 -7.957 -2.037 0.233 598 1HB SER 74 HB2 SER 74 -6.416 -1.295 2.724 599 2HB SER 74 HB1 SER 74 -7.723 -2.477 2.631 600 HG SER 74 HG SER 74 -5.189 -2.557 1.385 601 H LYS 75 HN LYS 75 -7.857 0.953 -0.170 602 HA LYS 75 HA LYS 75 -9.568 1.969 1.871 603 1HB LYS 75 HB2 LYS 75 -9.760 3.987 0.365 604 2HB LYS 75 HB1 LYS 75 -8.142 3.591 0.915 605 1HG LYS 75 HG2 LYS 75 -7.584 2.668 -1.232 606 2HG LYS 75 HG1 LYS 75 -9.251 2.849 -1.784 607 1HD LYS 75 HD2 LYS 75 -7.823 4.629 -2.667 608 2HD LYS 75 HD1 LYS 75 -9.066 5.269 -1.598 609 1HE LYS 75 HE2 LYS 75 -7.400 5.416 0.214 610 2HE LYS 75 HE1 LYS 75 -6.166 4.796 -0.884 611 1HZ LYS 75 HZ1 LYS 75 -7.666 7.358 -1.223 612 2HZ LYS 75 HZ2 LYS 75 -6.580 6.720 -2.325 613 3HZ LYS 75 HZ3 LYS 75 -6.021 7.215 -0.854 614 H ALA 76 HN ALA 76 -11.638 1.916 2.009 615 HA ALA 76 HA ALA 76 -13.409 1.800 -0.230 616 1HB ALA 76 HB1 ALA 76 -14.452 -0.344 0.389 617 2HB ALA 76 HB2 ALA 76 -13.209 -0.597 1.614 618 3HB ALA 76 HB3 ALA 76 -12.770 -0.574 -0.093 619 H GLY 77 HN GLY 77 -15.702 1.613 0.661 620 1HA GLY 77 HA2 GLY 77 -16.900 1.567 2.898 621 2HA GLY 77 HA1 GLY 77 -15.846 2.923 3.288 622 H SER 78 HN SER 78 -16.357 4.878 2.654 623 HA SER 78 HA SER 78 -18.964 5.328 1.507 624 1HB SER 78 HB2 SER 78 -18.107 6.664 3.430 625 2HB SER 78 HB1 SER 78 -16.814 7.278 2.403 626 HG SER 78 HG SER 78 -19.074 7.704 1.129 627 H ASP 79 HN ASP 79 -15.595 5.546 0.680 628 HA ASP 79 HA ASP 79 -16.319 6.141 -2.114 629 1HB ASP 79 HB2 ASP 79 -14.733 7.818 -1.010 630 2HB ASP 79 HB1 ASP 79 -13.599 6.495 -0.790 631 H THR 80 HN THR 80 -15.673 4.620 -3.547 632 HA THR 80 HA THR 80 -14.972 2.702 -4.396 633 HB THR 80 HB THR 80 -13.356 2.215 -1.861 634 HG1 THR 80 HG1 THR 80 -13.044 4.173 -3.494 635 1HG2 THR 80 HG21 THR 80 -12.002 0.756 -3.318 636 2HG2 THR 80 HG22 THR 80 -13.080 1.110 -4.673 637 3HG2 THR 80 HG23 THR 80 -13.682 0.219 -3.275 638 H GLU 81 HN GLU 81 -16.939 1.970 -4.425 639 HA GLU 81 HA GLU 81 -17.998 0.549 -2.108 640 1HB GLU 81 HB2 GLU 81 -19.396 1.537 -4.589 641 2HB GLU 81 HB1 GLU 81 -20.155 0.860 -3.150 642 1HG GLU 81 HG2 GLU 81 -19.349 2.735 -1.826 643 2HG GLU 81 HG1 GLU 81 -18.566 3.412 -3.252 644 H LEU 82 HN LEU 82 -17.735 -1.534 -2.161 645 HA LEU 82 HA LEU 82 -17.316 -2.896 -4.696 646 1HB LEU 82 HB2 LEU 82 -17.004 -3.832 -1.838 647 2HB LEU 82 HB1 LEU 82 -16.860 -4.906 -3.206 648 HG LEU 82 HG LEU 82 -14.919 -3.483 -3.987 649 1HD1 LEU 82 HD11 LEU 82 -13.771 -2.098 -2.337 650 2HD1 LEU 82 HD12 LEU 82 -15.121 -2.315 -1.223 651 3HD1 LEU 82 HD13 LEU 82 -15.362 -1.453 -2.741 652 1HD2 LEU 82 HD21 LEU 82 -14.595 -5.629 -2.913 653 2HD2 LEU 82 HD22 LEU 82 -14.671 -4.867 -1.323 654 3HD2 LEU 82 HD23 LEU 82 -13.340 -4.494 -2.418 655 H ALA 83 HN ALA 83 -18.827 -4.038 -5.647 656 HA ALA 83 HA ALA 83 -21.444 -4.184 -4.438 657 1HB ALA 83 HB1 ALA 83 -21.232 -3.612 -6.818 658 2HB ALA 83 HB2 ALA 83 -22.133 -5.115 -6.609 659 3HB ALA 83 HB3 ALA 83 -20.447 -5.161 -7.124 660 H ALA 84 HN ALA 84 -22.521 -6.107 -4.021 661 HA ALA 84 HA ALA 84 -20.913 -8.146 -2.901 662 1HB ALA 84 HB1 ALA 84 -23.040 -9.296 -2.478 663 2HB ALA 84 HB2 ALA 84 -23.871 -8.150 -3.527 664 3HB ALA 84 HB3 ALA 84 -23.135 -7.596 -2.023 665 HA PRO 85 HA PRO 85 -20.076 -10.475 -6.652 666 1HB PRO 85 HB2 PRO 85 -19.701 -12.624 -4.612 667 2HB PRO 85 HB1 PRO 85 -18.613 -12.121 -5.909 668 1HG PRO 85 HG2 PRO 85 -18.078 -11.459 -3.400 669 2HG PRO 85 HG1 PRO 85 -17.820 -10.292 -4.712 670 1HD PRO 85 HD2 PRO 85 -20.036 -10.436 -2.714 671 2HD PRO 85 HD1 PRO 85 -19.191 -9.014 -3.360 672 H LYS 86 HN LYS 86 -21.187 -12.042 -7.816 673 HA LYS 86 HA LYS 86 -23.879 -12.217 -7.617 674 1HB LYS 86 HB2 LYS 86 -22.575 -12.838 -9.602 675 2HB LYS 86 HB1 LYS 86 -22.056 -14.312 -8.802 676 1HG LYS 86 HG2 LYS 86 -24.450 -15.012 -8.686 677 2HG LYS 86 HG1 LYS 86 -24.856 -13.593 -9.652 678 1HD LYS 86 HD2 LYS 86 -23.004 -15.831 -10.493 679 2HD LYS 86 HD1 LYS 86 -24.665 -15.616 -11.033 680 1HE LYS 86 HE2 LYS 86 -22.422 -13.652 -11.485 681 2HE LYS 86 HE1 LYS 86 -22.988 -14.828 -12.668 682 1HZ LYS 86 HZ1 LYS 86 -24.638 -12.616 -11.520 683 2HZ LYS 86 HZ2 LYS 86 -25.145 -13.734 -12.676 684 3HZ LYS 86 HZ3 LYS 86 -23.910 -12.641 -13.038 685 H SER 87 HN SER 87 -24.854 -12.776 -5.819 686 HA SER 87 HA SER 87 -24.522 -15.556 -4.947 687 1HB SER 87 HB2 SER 87 -25.296 -13.159 -3.266 688 2HB SER 87 HB1 SER 87 -25.170 -14.823 -2.691 689 HG SER 87 HG SER 87 -23.023 -13.683 -4.034 690 H LYS 88 HN LYS 88 -26.474 -13.185 -6.301 691 HA LYS 88 HA LYS 88 -28.987 -14.367 -5.582 692 1HB LYS 88 HB2 LYS 88 -29.945 -12.750 -7.128 693 2HB LYS 88 HB1 LYS 88 -28.816 -11.957 -6.046 694 1HG LYS 88 HG2 LYS 88 -27.138 -11.899 -7.809 695 2HG LYS 88 HG1 LYS 88 -28.233 -12.759 -8.892 696 1HD LYS 88 HD2 LYS 88 -28.710 -10.038 -7.673 697 2HD LYS 88 HD1 LYS 88 -28.255 -10.359 -9.348 698 1HE LYS 88 HE2 LYS 88 -30.333 -11.595 -9.685 699 2HE LYS 88 HE1 LYS 88 -30.783 -11.311 -8.004 700 1HZ LYS 88 HZ1 LYS 88 -30.785 -8.937 -8.468 701 2HZ LYS 88 HZ2 LYS 88 -31.880 -9.756 -9.476 702 3HZ LYS 88 HZ3 LYS 88 -30.399 -9.241 -10.087 703 H ASN 89 HN ASN 89 -30.400 -15.261 -7.274 704 HA ASN 89 HA ASN 89 -28.898 -16.427 -9.470 705 1HB ASN 89 HB2 ASN 89 -30.643 -18.039 -7.585 706 2HB ASN 89 HB1 ASN 89 -30.075 -18.627 -9.144 707 1HD2 ASN 89 HD21 ASN 89 -29.245 -17.933 -5.872 708 2HD2 ASN 89 HD22 ASN 89 -27.658 -18.614 -5.901 Start of MODEL 30 1 1H GLY 1 HT1 GLY 1 -13.382 10.668 14.597 2 2H GLY 1 HT2 GLY 1 -15.030 10.272 14.644 3 3H GLY 1 HT3 GLY 1 -14.452 11.618 15.490 4 1HA GLY 1 HA1 GLY 1 -15.560 12.197 13.374 5 2HA GLY 1 HA2 GLY 1 -13.869 12.700 13.448 6 H ASP 2 HN ASP 2 -14.373 12.610 11.026 7 HA ASP 2 HA ASP 2 -13.223 10.168 10.064 8 1HB ASP 2 HB2 ASP 2 -15.605 9.587 10.026 9 2HB ASP 2 HB1 ASP 2 -15.945 11.023 9.065 10 H GLY 3 HN GLY 3 -11.685 10.825 8.900 11 1HA GLY 3 HA2 GLY 3 -12.081 12.879 6.875 12 2HA GLY 3 HA1 GLY 3 -10.856 13.201 8.100 13 H GLU 4 HN GLU 4 -9.526 11.078 8.534 14 HA GLU 4 HA GLU 4 -9.136 9.493 6.205 15 1HB GLU 4 HB2 GLU 4 -6.691 9.962 6.006 16 2HB GLU 4 HB1 GLU 4 -7.704 11.316 5.545 17 1HG GLU 4 HG2 GLU 4 -7.266 12.351 7.733 18 2HG GLU 4 HG1 GLU 4 -6.204 11.002 8.136 19 H ALA 5 HN ALA 5 -9.273 7.624 7.013 20 HA ALA 5 HA ALA 5 -8.369 6.930 9.640 21 1HB ALA 5 HB1 ALA 5 -10.217 5.723 8.573 22 2HB ALA 5 HB2 ALA 5 -8.898 4.619 8.956 23 3HB ALA 5 HB3 ALA 5 -9.134 5.171 7.299 24 H GLN 6 HN GLN 6 -7.242 6.666 6.390 25 HA GLN 6 HA GLN 6 -4.489 6.463 7.203 26 1HB GLN 6 HB2 GLN 6 -5.832 4.531 5.255 27 2HB GLN 6 HB1 GLN 6 -4.096 4.682 5.477 28 1HG GLN 6 HG2 GLN 6 -4.239 3.837 7.711 29 2HG GLN 6 HG1 GLN 6 -5.998 3.876 7.663 30 1HE2 GLN 6 HE21 GLN 6 -6.200 1.737 8.135 31 2HE2 GLN 6 HE22 GLN 6 -5.839 0.485 7.029 32 H ARG 7 HN ARG 7 -3.220 7.370 5.429 33 HA ARG 7 HA ARG 7 -4.916 9.166 3.877 34 1HB ARG 7 HB2 ARG 7 -2.896 10.381 3.202 35 2HB ARG 7 HB1 ARG 7 -2.908 10.175 4.939 36 1HG ARG 7 HG2 ARG 7 -1.446 8.082 3.487 37 2HG ARG 7 HG1 ARG 7 -0.780 9.700 3.300 38 1HD ARG 7 HD2 ARG 7 -1.404 8.433 5.964 39 2HD ARG 7 HD1 ARG 7 0.178 8.361 5.189 40 HE ARG 7 HE ARG 7 -0.804 11.019 5.371 41 1HH1 ARG 7 HH11 ARG 7 0.868 8.491 7.292 42 2HH1 ARG 7 HH12 ARG 7 1.610 9.632 8.307 43 1HH2 ARG 7 HH21 ARG 7 0.248 12.525 6.814 44 2HH2 ARG 7 HH22 ARG 7 1.235 11.941 8.050 45 H ASP 8 HN ASP 8 -2.636 6.606 3.417 46 HA ASP 8 HA ASP 8 -3.509 5.320 1.224 47 1HB ASP 8 HB2 ASP 8 -3.335 7.323 -0.167 48 2HB ASP 8 HB1 ASP 8 -1.719 7.649 0.434 49 H LEU 9 HN LEU 9 -1.645 3.992 0.278 50 HA LEU 9 HA LEU 9 0.124 3.485 2.503 51 1HB LEU 9 HB2 LEU 9 -0.313 1.855 0.010 52 2HB LEU 9 HB1 LEU 9 0.665 1.376 1.376 53 HG LEU 9 HG LEU 9 -2.318 1.686 1.286 54 1HD1 LEU 9 HD11 LEU 9 -1.480 -0.393 0.397 55 2HD1 LEU 9 HD12 LEU 9 -2.300 -0.652 1.940 56 3HD1 LEU 9 HD13 LEU 9 -0.540 -0.660 1.867 57 1HD2 LEU 9 HD21 LEU 9 -2.337 1.075 3.647 58 2HD2 LEU 9 HD22 LEU 9 -1.515 2.613 3.382 59 3HD2 LEU 9 HD23 LEU 9 -0.574 1.151 3.679 60 H VAL 10 HN VAL 10 0.314 4.665 -0.807 61 HA VAL 10 HA VAL 10 3.157 4.383 -0.960 62 HB VAL 10 HB VAL 10 1.166 5.892 -2.697 63 1HG1 VAL 10 HG11 VAL 10 2.985 6.274 -4.289 64 2HG1 VAL 10 HG12 VAL 10 4.139 5.572 -3.156 65 3HG1 VAL 10 HG13 VAL 10 3.327 7.085 -2.761 66 1HG2 VAL 10 HG21 VAL 10 2.802 3.417 -3.080 67 2HG2 VAL 10 HG22 VAL 10 1.884 4.206 -4.342 68 3HG2 VAL 10 HG23 VAL 10 1.044 3.524 -2.929 69 H LYS 11 HN LYS 11 0.855 6.859 -0.198 70 HA LYS 11 HA LYS 11 2.657 9.026 0.065 71 1HB LYS 11 HB2 LYS 11 0.174 8.680 1.755 72 2HB LYS 11 HB1 LYS 11 0.955 10.183 1.296 73 1HG LYS 11 HG2 LYS 11 -0.514 8.295 -0.542 74 2HG LYS 11 HG1 LYS 11 -1.102 9.837 0.054 75 1HD LYS 11 HD2 LYS 11 0.561 11.017 -1.216 76 2HD LYS 11 HD1 LYS 11 1.354 9.504 -1.657 77 1HE LYS 11 HE2 LYS 11 -0.034 10.375 -3.495 78 2HE LYS 11 HE1 LYS 11 -0.600 8.807 -2.929 79 1HZ LYS 11 HZ1 LYS 11 -2.358 9.946 -1.681 80 2HZ LYS 11 HZ2 LYS 11 -2.438 10.358 -3.310 81 3HZ LYS 11 HZ3 LYS 11 -1.783 11.434 -2.196 82 H ALA 12 HN ALA 12 2.290 6.272 1.961 83 HA ALA 12 HA ALA 12 3.717 7.439 4.240 84 1HB ALA 12 HB1 ALA 12 3.122 5.392 5.449 85 2HB ALA 12 HB2 ALA 12 2.379 4.743 3.988 86 3HB ALA 12 HB3 ALA 12 1.684 6.158 4.772 87 H VAL 13 HN VAL 13 3.779 4.415 2.310 88 HA VAL 13 HA VAL 13 6.312 3.582 3.174 89 HB VAL 13 HB VAL 13 4.772 2.786 0.677 90 1HG1 VAL 13 HG11 VAL 13 7.128 2.276 0.369 91 2HG1 VAL 13 HG12 VAL 13 6.201 0.792 0.595 92 3HG1 VAL 13 HG13 VAL 13 7.175 1.436 1.918 93 1HG2 VAL 13 HG21 VAL 13 5.046 1.452 3.373 94 2HG2 VAL 13 HG22 VAL 13 4.185 0.786 1.982 95 3HG2 VAL 13 HG23 VAL 13 3.608 2.264 2.749 96 H ALA 14 HN ALA 14 5.389 5.366 0.234 97 HA ALA 14 HA ALA 14 8.062 5.349 -0.736 98 1HB ALA 14 HB1 ALA 14 7.253 6.941 -2.468 99 2HB ALA 14 HB2 ALA 14 5.727 7.099 -1.587 100 3HB ALA 14 HB3 ALA 14 6.163 5.564 -2.302 101 H HIS 15 HN HIS 15 6.230 7.349 1.404 102 HA HIS 15 HA HIS 15 7.937 9.641 1.303 103 1HB HIS 15 HB2 HIS 15 5.568 9.589 2.272 104 2HB HIS 15 HB1 HIS 15 6.255 8.799 3.682 105 HD1 HIS 15 HD1 HIS 15 5.493 12.052 2.295 106 HD2 HIS 15 HD2 HIS 15 8.139 10.575 5.131 107 HE1 HIS 15 HE1 HIS 15 6.279 14.050 3.594 108 HE2 HIS 15 HE2 HIS 15 7.386 13.002 5.557 109 H ILE 16 HN ILE 16 7.960 6.641 3.051 110 HA ILE 16 HA ILE 16 10.008 7.152 4.907 111 HB ILE 16 HB ILE 16 9.247 4.573 3.498 112 1HG1 ILE 16 HG12 ILE 16 7.459 5.485 4.890 113 2HG1 ILE 16 HG11 ILE 16 8.087 3.998 5.586 114 1HG2 ILE 16 HG21 ILE 16 10.449 3.347 5.251 115 2HG2 ILE 16 HG22 ILE 16 11.055 4.875 5.893 116 3HG2 ILE 16 HG23 ILE 16 11.526 4.349 4.279 117 1HD1 ILE 16 HD11 ILE 16 8.734 6.794 6.504 118 2HD1 ILE 16 HD12 ILE 16 9.368 5.307 7.208 119 3HD1 ILE 16 HD13 ILE 16 7.643 5.661 7.303 120 H LEU 17 HN LEU 17 10.058 6.188 1.552 121 HA LEU 17 HA LEU 17 12.915 5.855 1.419 122 1HB LEU 17 HB2 LEU 17 10.925 6.139 -0.831 123 2HB LEU 17 HB1 LEU 17 12.558 5.520 -0.961 124 HG LEU 17 HG LEU 17 10.234 4.222 0.438 125 1HD1 LEU 17 HD11 LEU 17 11.796 3.420 -2.005 126 2HD1 LEU 17 HD12 LEU 17 10.147 4.042 -1.971 127 3HD1 LEU 17 HD13 LEU 17 10.516 2.476 -1.245 128 1HD2 LEU 17 HD21 LEU 17 12.273 3.818 1.695 129 2HD2 LEU 17 HD22 LEU 17 13.093 3.293 0.225 130 3HD2 LEU 17 HD23 LEU 17 11.751 2.348 0.872 131 H GLY 18 HN GLY 18 10.574 8.298 0.591 132 1HA GLY 18 HA2 GLY 18 11.322 10.639 0.892 133 2HA GLY 18 HA1 GLY 18 12.785 10.174 0.032 134 H ILE 19 HN ILE 19 9.678 8.955 -0.938 135 HA ILE 19 HA ILE 19 9.653 10.769 -3.205 136 HB ILE 19 HB ILE 19 8.695 8.678 -4.411 137 1HG1 ILE 19 HG12 ILE 19 10.606 7.362 -2.470 138 2HG1 ILE 19 HG11 ILE 19 8.865 7.140 -2.523 139 1HG2 ILE 19 HG21 ILE 19 11.646 9.199 -4.055 140 2HG2 ILE 19 HG22 ILE 19 10.540 9.950 -5.219 141 3HG2 ILE 19 HG23 ILE 19 10.942 8.241 -5.366 142 1HD1 ILE 19 HD11 ILE 19 9.068 6.118 -4.739 143 2HD1 ILE 19 HD12 ILE 19 10.026 5.260 -3.531 144 3HD1 ILE 19 HD13 ILE 19 10.815 6.343 -4.675 145 H ARG 20 HN ARG 20 7.648 10.772 -4.316 146 HA ARG 20 HA ARG 20 5.320 9.528 -3.318 147 1HB ARG 20 HB2 ARG 20 5.447 11.284 -1.586 148 2HB ARG 20 HB1 ARG 20 5.567 12.501 -2.861 149 1HG ARG 20 HG2 ARG 20 3.337 12.094 -3.583 150 2HG ARG 20 HG1 ARG 20 3.196 10.680 -2.547 151 1HD ARG 20 HD2 ARG 20 1.981 12.604 -1.643 152 2HD ARG 20 HD1 ARG 20 3.287 12.102 -0.574 153 HE ARG 20 HE ARG 20 4.507 14.014 -1.210 154 1HH1 ARG 20 HH11 ARG 20 1.340 14.022 -2.812 155 2HH1 ARG 20 HH12 ARG 20 1.158 15.712 -2.738 156 1HH2 ARG 20 HH21 ARG 20 4.194 16.363 -1.059 157 2HH2 ARG 20 HH22 ARG 20 2.798 17.078 -1.718 158 H ASP 21 HN ASP 21 6.813 12.055 -5.212 159 HA ASP 21 HA ASP 21 4.683 12.437 -7.005 160 1HB ASP 21 HB2 ASP 21 7.628 12.997 -7.346 161 2HB ASP 21 HB1 ASP 21 6.405 13.457 -8.522 162 H LEU 22 HN LEU 22 7.640 10.526 -7.344 163 HA LEU 22 HA LEU 22 8.095 8.655 -8.521 164 1HB LEU 22 HB2 LEU 22 5.102 8.531 -8.530 165 2HB LEU 22 HB1 LEU 22 6.004 7.421 -9.529 166 HG LEU 22 HG LEU 22 5.276 6.441 -7.408 167 1HD1 LEU 22 HD11 LEU 22 7.263 5.632 -8.575 168 2HD1 LEU 22 HD12 LEU 22 7.382 5.419 -6.826 169 3HD1 LEU 22 HD13 LEU 22 8.247 6.736 -7.619 170 1HD2 LEU 22 HD21 LEU 22 7.181 8.390 -6.104 171 2HD2 LEU 22 HD22 LEU 22 6.361 7.057 -5.296 172 3HD2 LEU 22 HD23 LEU 22 5.430 8.406 -5.942 173 H ALA 23 HN ALA 23 7.816 11.327 -9.778 174 HA ALA 23 HA ALA 23 6.813 10.934 -12.411 175 1HB ALA 23 HB1 ALA 23 6.860 13.162 -11.357 176 2HB ALA 23 HB2 ALA 23 7.708 13.152 -12.901 177 3HB ALA 23 HB3 ALA 23 8.621 13.126 -11.392 178 H GLY 24 HN GLY 24 9.751 10.508 -10.903 179 1HA GLY 24 HA2 GLY 24 10.833 9.465 -13.406 180 2HA GLY 24 HA1 GLY 24 11.866 10.544 -12.444 181 H ILE 25 HN ILE 25 9.659 8.221 -11.168 182 HA ILE 25 HA ILE 25 11.933 6.575 -10.349 183 HB ILE 25 HB ILE 25 9.356 7.068 -8.834 184 1HG1 ILE 25 HG12 ILE 25 10.809 9.065 -8.778 185 2HG1 ILE 25 HG11 ILE 25 10.641 8.334 -7.187 186 1HG2 ILE 25 HG21 ILE 25 10.267 4.845 -8.392 187 2HG2 ILE 25 HG22 ILE 25 10.433 5.865 -6.963 188 3HG2 ILE 25 HG23 ILE 25 11.835 5.550 -7.984 189 1HD1 ILE 25 HD11 ILE 25 12.912 9.079 -7.592 190 2HD1 ILE 25 HD12 ILE 25 13.009 8.054 -9.027 191 3HD1 ILE 25 HD13 ILE 25 12.841 7.325 -7.425 192 H ASN 26 HN ASN 26 11.492 4.313 -10.513 193 HA ASN 26 HA ASN 26 9.616 3.716 -12.575 194 1HB ASN 26 HB2 ASN 26 11.529 2.010 -11.003 195 2HB ASN 26 HB1 ASN 26 10.427 1.349 -12.201 196 1HD2 ASN 26 HD21 ASN 26 10.866 1.601 -14.324 197 2HD2 ASN 26 HD22 ASN 26 12.311 2.301 -14.945 198 H LEU 27 HN LEU 27 7.681 2.992 -12.441 199 HA LEU 27 HA LEU 27 6.415 2.341 -9.849 200 1HB LEU 27 HB2 LEU 27 5.190 2.320 -12.610 201 2HB LEU 27 HB1 LEU 27 4.373 2.484 -11.073 202 HG LEU 27 HG LEU 27 6.097 4.590 -12.381 203 1HD1 LEU 27 HD11 LEU 27 3.109 4.406 -12.061 204 2HD1 LEU 27 HD12 LEU 27 4.012 4.220 -13.565 205 3HD1 LEU 27 HD13 LEU 27 3.995 5.775 -12.733 206 1HD2 LEU 27 HD21 LEU 27 5.260 6.077 -10.646 207 2HD2 LEU 27 HD22 LEU 27 6.128 4.718 -9.926 208 3HD2 LEU 27 HD23 LEU 27 4.364 4.750 -9.923 209 H ASP 28 HN ASP 28 8.032 0.951 -12.362 210 HA ASP 28 HA ASP 28 6.645 -1.613 -12.274 211 1HB ASP 28 HB2 ASP 28 8.043 -2.266 -14.152 212 2HB ASP 28 HB1 ASP 28 7.270 -0.724 -14.484 213 H SER 29 HN SER 29 8.918 -0.163 -10.428 214 HA SER 29 HA SER 29 10.606 -2.497 -10.254 215 1HB SER 29 HB2 SER 29 10.780 0.189 -8.883 216 2HB SER 29 HB1 SER 29 11.915 -1.143 -8.658 217 HG SER 29 HG SER 29 11.968 -1.008 -11.120 218 H SER 30 HN SER 30 10.250 -3.978 -8.886 219 HA SER 30 HA SER 30 8.147 -3.839 -6.955 220 1HB SER 30 HB2 SER 30 10.312 -5.851 -7.570 221 2HB SER 30 HB1 SER 30 9.045 -6.151 -6.401 222 HG SER 30 HG SER 30 8.994 -6.040 -9.195 223 H LEU 31 HN LEU 31 8.631 -4.045 -4.636 224 HA LEU 31 HA LEU 31 10.734 -2.464 -3.717 225 1HB LEU 31 HB2 LEU 31 9.309 -4.649 -2.171 226 2HB LEU 31 HB1 LEU 31 10.238 -3.348 -1.470 227 HG LEU 31 HG LEU 31 7.604 -3.087 -2.927 228 1HD1 LEU 31 HD11 LEU 31 8.322 -2.727 -0.028 229 2HD1 LEU 31 HD12 LEU 31 7.366 -4.038 -0.721 230 3HD1 LEU 31 HD13 LEU 31 6.749 -2.388 -0.749 231 1HD2 LEU 31 HD21 LEU 31 7.671 -0.735 -2.269 232 2HD2 LEU 31 HD22 LEU 31 9.013 -1.149 -3.343 233 3HD2 LEU 31 HD23 LEU 31 9.292 -0.973 -1.610 234 H ALA 32 HN ALA 32 10.615 -5.774 -4.584 235 HA ALA 32 HA ALA 32 12.932 -6.708 -3.411 236 1HB ALA 32 HB1 ALA 32 12.889 -8.496 -5.096 237 2HB ALA 32 HB2 ALA 32 11.702 -7.579 -6.026 238 3HB ALA 32 HB3 ALA 32 11.286 -8.195 -4.423 239 H ASP 33 HN ASP 33 12.402 -4.760 -6.283 240 HA ASP 33 HA ASP 33 14.953 -5.220 -7.445 241 1HB ASP 33 HB2 ASP 33 12.925 -3.014 -7.918 242 2HB ASP 33 HB1 ASP 33 14.449 -3.093 -8.776 243 H LEU 34 HN LEU 34 13.551 -3.130 -5.193 244 HA LEU 34 HA LEU 34 15.580 -1.074 -5.112 245 1HB LEU 34 HB2 LEU 34 13.511 -1.613 -3.022 246 2HB LEU 34 HB1 LEU 34 14.220 -0.084 -3.497 247 HG LEU 34 HG LEU 34 12.323 -1.695 -5.187 248 1HD1 LEU 34 HD11 LEU 34 11.800 0.735 -3.515 249 2HD1 LEU 34 HD12 LEU 34 11.287 -0.934 -3.214 250 3HD1 LEU 34 HD13 LEU 34 10.667 -0.069 -4.626 251 1HD2 LEU 34 HD21 LEU 34 13.352 1.112 -5.508 252 2HD2 LEU 34 HD22 LEU 34 12.102 0.313 -6.475 253 3HD2 LEU 34 HD23 LEU 34 13.765 -0.291 -6.512 254 H GLY 35 HN GLY 35 14.454 -3.689 -3.029 255 1HA GLY 35 HA2 GLY 35 15.899 -5.049 -1.698 256 2HA GLY 35 HA1 GLY 35 17.035 -3.703 -1.628 257 H LEU 36 HN LEU 36 13.939 -4.877 -0.481 258 HA LEU 36 HA LEU 36 13.725 -2.661 1.364 259 1HB LEU 36 HB2 LEU 36 11.528 -3.446 1.915 260 2HB LEU 36 HB1 LEU 36 11.692 -3.558 0.188 261 HG LEU 36 HG LEU 36 12.152 -6.118 0.701 262 1HD1 LEU 36 HD11 LEU 36 10.903 -6.922 2.622 263 2HD1 LEU 36 HD12 LEU 36 10.544 -5.264 3.088 264 3HD1 LEU 36 HD13 LEU 36 12.215 -5.854 3.156 265 1HD2 LEU 36 HD21 LEU 36 10.253 -5.250 -0.550 266 2HD2 LEU 36 HD22 LEU 36 9.433 -4.881 0.973 267 3HD2 LEU 36 HD23 LEU 36 9.771 -6.552 0.539 268 H ASP 37 HN ASP 37 14.437 -2.680 3.417 269 HA ASP 37 HA ASP 37 15.052 -5.322 4.526 270 1HB ASP 37 HB2 ASP 37 17.145 -4.252 3.852 271 2HB ASP 37 HB1 ASP 37 16.775 -2.876 4.890 272 H SER 38 HN SER 38 13.439 -5.520 5.846 273 HA SER 38 HA SER 38 12.705 -5.717 7.922 274 1HB SER 38 HB2 SER 38 14.424 -3.347 8.704 275 2HB SER 38 HB1 SER 38 13.679 -4.519 9.792 276 HG SER 38 HG SER 38 15.930 -4.729 8.175 277 H LEU 39 HN LEU 39 13.038 -2.274 7.458 278 HA LEU 39 HA LEU 39 10.490 -1.823 8.765 279 1HB LEU 39 HB2 LEU 39 12.272 -0.137 8.927 280 2HB LEU 39 HB1 LEU 39 12.114 0.172 7.205 281 HG LEU 39 HG LEU 39 9.702 0.732 7.667 282 1HD1 LEU 39 HD11 LEU 39 9.141 1.465 9.917 283 2HD1 LEU 39 HD12 LEU 39 10.680 0.835 10.498 284 3HD1 LEU 39 HD13 LEU 39 9.473 -0.264 9.825 285 1HD2 LEU 39 HD21 LEU 39 11.341 2.374 7.129 286 2HD2 LEU 39 HD22 LEU 39 11.859 2.465 8.821 287 3HD2 LEU 39 HD23 LEU 39 10.236 3.005 8.354 288 H MET 40 HN MET 40 11.688 -1.566 5.505 289 HA MET 40 HA MET 40 9.267 -0.845 4.270 290 1HB MET 40 HB2 MET 40 11.710 -2.217 3.214 291 2HB MET 40 HB1 MET 40 10.358 -1.810 2.187 292 1HG MET 40 HG2 MET 40 10.698 0.585 2.794 293 2HG MET 40 HG1 MET 40 12.105 0.093 3.734 294 1HE MET 40 HE1 MET 40 11.788 -0.385 -0.859 295 2HE MET 40 HE2 MET 40 10.538 0.352 0.144 296 3HE MET 40 HE3 MET 40 10.876 -1.372 0.284 297 H GLY 41 HN GLY 41 9.757 -3.583 5.906 298 1HA GLY 41 HA2 GLY 41 7.750 -5.002 4.295 299 2HA GLY 41 HA1 GLY 41 8.920 -5.817 5.337 300 H VAL 42 HN VAL 42 8.895 -4.220 7.548 301 HA VAL 42 HA VAL 42 6.634 -5.241 8.889 302 HB VAL 42 HB VAL 42 8.685 -3.251 9.906 303 1HG1 VAL 42 HG11 VAL 42 6.651 -3.154 11.241 304 2HG1 VAL 42 HG12 VAL 42 7.952 -3.919 12.157 305 3HG1 VAL 42 HG13 VAL 42 6.678 -4.905 11.439 306 1HG2 VAL 42 HG21 VAL 42 8.495 -6.238 10.242 307 2HG2 VAL 42 HG22 VAL 42 9.686 -5.180 11.009 308 3HG2 VAL 42 HG23 VAL 42 9.667 -5.362 9.256 309 H GLU 43 HN GLU 43 7.498 -1.895 8.022 310 HA GLU 43 HA GLU 43 5.338 -0.599 9.250 311 1HB GLU 43 HB2 GLU 43 7.226 0.613 8.227 312 2HB GLU 43 HB1 GLU 43 6.712 0.078 6.633 313 1HG GLU 43 HG2 GLU 43 5.950 2.348 6.853 314 2HG GLU 43 HG1 GLU 43 4.575 1.287 7.015 315 H VAL 44 HN VAL 44 5.720 -2.046 6.120 316 HA VAL 44 HA VAL 44 3.259 -1.392 4.937 317 HB VAL 44 HB VAL 44 4.860 -3.901 4.461 318 1HG1 VAL 44 HG11 VAL 44 3.991 -3.770 2.192 319 2HG1 VAL 44 HG12 VAL 44 3.027 -2.362 2.653 320 3HG1 VAL 44 HG13 VAL 44 2.719 -3.931 3.404 321 1HG2 VAL 44 HG21 VAL 44 6.352 -2.038 4.371 322 2HG2 VAL 44 HG22 VAL 44 5.288 -1.178 3.239 323 3HG2 VAL 44 HG23 VAL 44 6.091 -2.688 2.760 324 H ARG 45 HN ARG 45 4.375 -4.353 6.529 325 HA ARG 45 HA ARG 45 1.954 -5.722 6.272 326 1HB ARG 45 HB2 ARG 45 4.352 -6.580 6.854 327 2HB ARG 45 HB1 ARG 45 3.826 -6.324 8.517 328 1HG ARG 45 HG2 ARG 45 1.830 -7.735 8.001 329 2HG ARG 45 HG1 ARG 45 2.581 -8.120 6.458 330 1HD ARG 45 HD2 ARG 45 3.549 -8.780 9.221 331 2HD ARG 45 HD1 ARG 45 3.079 -9.874 7.920 332 HE ARG 45 HE ARG 45 5.333 -8.185 7.357 333 1HH1 ARG 45 HH11 ARG 45 4.173 -11.379 8.428 334 2HH1 ARG 45 HH12 ARG 45 5.713 -12.104 8.393 335 1HH2 ARG 45 HH21 ARG 45 7.466 -9.191 7.427 336 2HH2 ARG 45 HH22 ARG 45 7.634 -10.831 7.877 337 H GLN 46 HN GLN 46 3.216 -3.656 8.865 338 HA GLN 46 HA GLN 46 1.065 -4.298 10.612 339 1HB GLN 46 HB2 GLN 46 2.994 -1.977 10.733 340 2HB GLN 46 HB1 GLN 46 1.843 -2.388 12.000 341 1HG GLN 46 HG2 GLN 46 4.110 -4.088 11.018 342 2HG GLN 46 HG1 GLN 46 4.052 -3.221 12.553 343 1HE2 GLN 46 HE21 GLN 46 4.373 -6.119 11.957 344 2HE2 GLN 46 HE22 GLN 46 3.122 -6.897 12.831 345 H ILE 47 HN ILE 47 1.148 -2.380 7.875 346 HA ILE 47 HA ILE 47 -1.164 -0.835 8.746 347 HB ILE 47 HB ILE 47 -0.047 -1.066 5.929 348 1HG1 ILE 47 HG12 ILE 47 0.429 1.144 7.919 349 2HG1 ILE 47 HG11 ILE 47 1.608 -0.128 7.610 350 1HG2 ILE 47 HG21 ILE 47 -2.356 -0.283 6.092 351 2HG2 ILE 47 HG22 ILE 47 -1.301 1.043 5.592 352 3HG2 ILE 47 HG23 ILE 47 -1.873 0.947 7.258 353 1HD1 ILE 47 HD11 ILE 47 1.710 0.652 5.242 354 2HD1 ILE 47 HD12 ILE 47 2.265 1.837 6.413 355 3HD1 ILE 47 HD13 ILE 47 0.659 2.004 5.687 356 H LEU 48 HN LEU 48 -0.320 -3.262 6.329 357 HA LEU 48 HA LEU 48 -2.991 -3.700 5.544 358 1HB LEU 48 HB2 LEU 48 -0.465 -5.185 4.954 359 2HB LEU 48 HB1 LEU 48 -1.997 -5.813 4.408 360 HG LEU 48 HG LEU 48 -1.111 -4.708 2.570 361 1HD1 LEU 48 HD11 LEU 48 -2.582 -2.821 2.136 362 2HD1 LEU 48 HD12 LEU 48 -2.979 -2.753 3.849 363 3HD1 LEU 48 HD13 LEU 48 -3.437 -4.170 2.898 364 1HD2 LEU 48 HD21 LEU 48 -0.477 -2.342 4.326 365 2HD2 LEU 48 HD22 LEU 48 -0.227 -2.420 2.580 366 3HD2 LEU 48 HD23 LEU 48 0.685 -3.484 3.654 367 H GLU 49 HN GLU 49 -0.866 -5.736 7.521 368 HA GLU 49 HA GLU 49 -2.760 -7.810 7.889 369 1HB GLU 49 HB2 GLU 49 -0.331 -8.092 8.081 370 2HB GLU 49 HB1 GLU 49 -0.314 -7.037 9.479 371 1HG GLU 49 HG2 GLU 49 -1.788 -8.728 10.613 372 2HG GLU 49 HG1 GLU 49 -1.468 -9.792 9.240 373 H ARG 50 HN ARG 50 -1.606 -5.233 9.981 374 HA ARG 50 HA ARG 50 -3.189 -5.824 12.226 375 1HB ARG 50 HB2 ARG 50 -1.238 -4.530 12.496 376 2HB ARG 50 HB1 ARG 50 -1.784 -3.331 11.336 377 1HG ARG 50 HG2 ARG 50 -3.611 -2.743 12.925 378 2HG ARG 50 HG1 ARG 50 -2.846 -3.813 14.104 379 1HD ARG 50 HD2 ARG 50 -1.431 -1.538 12.738 380 2HD ARG 50 HD1 ARG 50 -2.229 -1.376 14.304 381 HE ARG 50 HE ARG 50 -0.575 -3.457 14.654 382 1HH1 ARG 50 HH11 ARG 50 0.039 -0.264 13.185 383 2HH1 ARG 50 HH12 ARG 50 1.558 -0.058 13.872 384 1HH2 ARG 50 HH21 ARG 50 1.592 -3.157 15.648 385 2HH2 ARG 50 HH22 ARG 50 2.420 -1.711 15.347 386 H GLU 51 HN GLU 51 -3.634 -3.279 9.774 387 HA GLU 51 HA GLU 51 -6.123 -2.520 11.020 388 1HB GLU 51 HB2 GLU 51 -4.714 -1.422 8.613 389 2HB GLU 51 HB1 GLU 51 -6.143 -0.723 9.352 390 1HG GLU 51 HG2 GLU 51 -3.485 -1.052 10.739 391 2HG GLU 51 HG1 GLU 51 -4.085 0.446 10.021 392 H HIS 52 HN HIS 52 -5.110 -3.792 7.869 393 HA HIS 52 HA HIS 52 -7.912 -3.786 7.027 394 1HB HIS 52 HB2 HIS 52 -5.443 -4.414 5.388 395 2HB HIS 52 HB1 HIS 52 -7.100 -4.348 4.804 396 HD1 HIS 52 HD1 HIS 52 -8.141 -2.067 4.418 397 HD2 HIS 52 HD2 HIS 52 -4.226 -1.913 5.782 398 HE1 HIS 52 HE1 HIS 52 -7.371 0.278 3.995 399 HE2 HIS 52 HE2 HIS 52 -5.056 0.396 4.897 400 H ASP 53 HN ASP 53 -5.793 -5.937 8.437 401 HA ASP 53 HA ASP 53 -5.684 -8.129 8.792 402 1HB ASP 53 HB2 ASP 53 -8.136 -7.969 9.311 403 2HB ASP 53 HB1 ASP 53 -8.499 -8.308 7.628 404 H LEU 54 HN LEU 54 -4.478 -7.180 6.599 405 HA LEU 54 HA LEU 54 -4.675 -9.447 4.736 406 1HB LEU 54 HB2 LEU 54 -3.781 -6.623 4.306 407 2HB LEU 54 HB1 LEU 54 -3.088 -7.878 3.299 408 HG LEU 54 HG LEU 54 -5.394 -8.387 2.486 409 1HD1 LEU 54 HD11 LEU 54 -6.694 -7.592 4.351 410 2HD1 LEU 54 HD12 LEU 54 -7.160 -6.725 2.880 411 3HD1 LEU 54 HD13 LEU 54 -6.106 -5.960 4.074 412 1HD2 LEU 54 HD21 LEU 54 -3.933 -6.942 1.204 413 2HD2 LEU 54 HD22 LEU 54 -4.468 -5.543 2.137 414 3HD2 LEU 54 HD23 LEU 54 -5.604 -6.389 1.084 415 H VAL 55 HN VAL 55 -3.496 -10.876 5.882 416 HA VAL 55 HA VAL 55 -0.909 -10.254 6.935 417 HB VAL 55 HB VAL 55 -2.143 -12.981 6.397 418 1HG1 VAL 55 HG11 VAL 55 0.272 -13.099 6.680 419 2HG1 VAL 55 HG12 VAL 55 -0.551 -13.814 8.062 420 3HG1 VAL 55 HG13 VAL 55 0.152 -12.203 8.193 421 1HG2 VAL 55 HG21 VAL 55 -3.547 -11.686 7.898 422 2HG2 VAL 55 HG22 VAL 55 -2.155 -11.330 8.922 423 3HG2 VAL 55 HG23 VAL 55 -2.744 -12.987 8.781 424 H LEU 56 HN LEU 56 0.328 -9.477 5.341 425 HA LEU 56 HA LEU 56 0.896 -11.247 3.076 426 1HB LEU 56 HB2 LEU 56 1.409 -8.288 3.338 427 2HB LEU 56 HB1 LEU 56 1.697 -9.263 1.918 428 HG LEU 56 HG LEU 56 -1.020 -8.642 3.084 429 1HD1 LEU 56 HD11 LEU 56 -1.327 -7.301 1.064 430 2HD1 LEU 56 HD12 LEU 56 0.341 -7.631 0.593 431 3HD1 LEU 56 HD13 LEU 56 0.001 -6.702 2.054 432 1HD2 LEU 56 HD21 LEU 56 -1.898 -9.696 1.067 433 2HD2 LEU 56 HD22 LEU 56 -0.944 -10.841 2.011 434 3HD2 LEU 56 HD23 LEU 56 -0.262 -10.110 0.559 435 HA PRO 57 HA PRO 57 4.823 -11.511 5.342 436 1HB PRO 57 HB2 PRO 57 5.275 -13.727 3.475 437 2HB PRO 57 HB1 PRO 57 5.219 -13.777 5.240 438 1HG PRO 57 HG2 PRO 57 3.271 -14.881 3.756 439 2HG PRO 57 HG1 PRO 57 2.891 -14.027 5.266 440 1HD PRO 57 HD2 PRO 57 2.722 -13.030 2.441 441 2HD PRO 57 HD1 PRO 57 1.514 -12.916 3.746 442 H ILE 58 HN ILE 58 7.179 -12.097 4.177 443 HA ILE 58 HA ILE 58 7.640 -9.838 2.583 444 HB ILE 58 HB ILE 58 9.473 -12.218 3.091 445 1HG1 ILE 58 HG12 ILE 58 10.833 -10.469 4.336 446 2HG1 ILE 58 HG11 ILE 58 9.458 -9.392 4.126 447 1HG2 ILE 58 HG21 ILE 58 10.091 -11.336 0.931 448 2HG2 ILE 58 HG22 ILE 58 11.333 -10.936 2.115 449 3HG2 ILE 58 HG23 ILE 58 10.193 -9.702 1.584 450 1HD1 ILE 58 HD11 ILE 58 8.081 -10.921 5.428 451 2HD1 ILE 58 HD12 ILE 58 9.496 -10.389 6.336 452 3HD1 ILE 58 HD13 ILE 58 9.458 -12.004 5.617 453 H ARG 59 HN ARG 59 7.195 -13.196 1.796 454 HA ARG 59 HA ARG 59 7.817 -12.976 -0.919 455 1HB ARG 59 HB2 ARG 59 6.574 -15.070 -1.333 456 2HB ARG 59 HB1 ARG 59 7.742 -15.170 -0.034 457 1HG ARG 59 HG2 ARG 59 4.878 -14.661 0.619 458 2HG ARG 59 HG1 ARG 59 5.393 -16.287 0.163 459 1HD ARG 59 HD2 ARG 59 6.496 -14.615 2.420 460 2HD ARG 59 HD1 ARG 59 5.439 -16.015 2.585 461 HE ARG 59 HE ARG 59 7.873 -16.542 1.149 462 1HH1 ARG 59 HH11 ARG 59 6.272 -16.713 4.315 463 2HH1 ARG 59 HH12 ARG 59 7.558 -17.522 5.070 464 1HH2 ARG 59 HH21 ARG 59 9.611 -17.683 2.207 465 2HH2 ARG 59 HH22 ARG 59 9.458 -18.145 3.850 466 H GLU 60 HN GLU 60 5.181 -11.536 0.557 467 HA GLU 60 HA GLU 60 4.003 -11.245 -2.104 468 1HB GLU 60 HB2 GLU 60 2.581 -11.183 0.552 469 2HB GLU 60 HB1 GLU 60 1.844 -10.641 -0.953 470 1HG GLU 60 HG2 GLU 60 2.251 -12.872 -1.912 471 2HG GLU 60 HG1 GLU 60 2.861 -13.398 -0.345 472 H VAL 61 HN VAL 61 5.168 -9.603 0.701 473 HA VAL 61 HA VAL 61 4.348 -6.996 -0.138 474 HB VAL 61 HB VAL 61 6.347 -7.902 1.965 475 1HG1 VAL 61 HG11 VAL 61 6.264 -5.629 2.869 476 2HG1 VAL 61 HG12 VAL 61 5.284 -5.116 1.495 477 3HG1 VAL 61 HG13 VAL 61 6.949 -5.646 1.243 478 1HG2 VAL 61 HG21 VAL 61 4.612 -7.237 3.551 479 2HG2 VAL 61 HG22 VAL 61 4.057 -8.506 2.461 480 3HG2 VAL 61 HG23 VAL 61 3.542 -6.837 2.208 481 H ARG 62 HN ARG 62 7.140 -8.989 -0.659 482 HA ARG 62 HA ARG 62 8.872 -6.858 -1.297 483 1HB ARG 62 HB2 ARG 62 9.594 -9.033 -0.419 484 2HB ARG 62 HB1 ARG 62 9.167 -9.777 -1.948 485 1HG ARG 62 HG2 ARG 62 10.836 -8.451 -3.078 486 2HG ARG 62 HG1 ARG 62 11.262 -7.665 -1.557 487 1HD ARG 62 HD2 ARG 62 12.813 -9.479 -2.123 488 2HD ARG 62 HD1 ARG 62 11.942 -9.805 -0.626 489 HE ARG 62 HE ARG 62 10.716 -10.912 -2.981 490 1HH1 ARG 62 HH11 ARG 62 13.063 -11.492 -0.351 491 2HH1 ARG 62 HH12 ARG 62 12.986 -13.182 -0.473 492 1HH2 ARG 62 HH21 ARG 62 10.646 -13.264 -3.160 493 2HH2 ARG 62 HH22 ARG 62 11.587 -14.219 -2.127 494 H GLN 63 HN GLN 63 6.411 -8.318 -3.180 495 HA GLN 63 HA GLN 63 7.790 -7.473 -5.635 496 1HB GLN 63 HB2 GLN 63 6.175 -8.716 -6.993 497 2HB GLN 63 HB1 GLN 63 6.940 -9.783 -5.831 498 1HG GLN 63 HG2 GLN 63 4.367 -8.587 -5.020 499 2HG GLN 63 HG1 GLN 63 4.312 -9.746 -6.343 500 1HE2 GLN 63 HE21 GLN 63 6.779 -10.080 -3.947 501 2HE2 GLN 63 HE22 GLN 63 6.047 -11.433 -3.150 502 H LEU 64 HN LEU 64 6.082 -6.093 -3.463 503 HA LEU 64 HA LEU 64 4.020 -4.818 -4.929 504 1HB LEU 64 HB2 LEU 64 5.567 -3.746 -2.542 505 2HB LEU 64 HB1 LEU 64 4.092 -3.062 -3.181 506 HG LEU 64 HG LEU 64 4.341 -5.787 -1.907 507 1HD1 LEU 64 HD11 LEU 64 3.041 -4.830 -0.090 508 2HD1 LEU 64 HD12 LEU 64 3.116 -3.247 -0.867 509 3HD1 LEU 64 HD13 LEU 64 4.592 -4.019 -0.290 510 1HD2 LEU 64 HD21 LEU 64 1.879 -5.792 -1.972 511 2HD2 LEU 64 HD22 LEU 64 2.603 -5.791 -3.575 512 3HD2 LEU 64 HD23 LEU 64 1.917 -4.300 -2.917 513 H THR 65 HN THR 65 4.244 -3.398 -6.580 514 HA THR 65 HA THR 65 6.824 -2.564 -7.475 515 HB THR 65 HB THR 65 5.380 -1.685 -9.339 516 HG1 THR 65 HG1 THR 65 3.277 -1.699 -9.056 517 1HG2 THR 65 HG21 THR 65 4.771 -3.912 -10.127 518 2HG2 THR 65 HG22 THR 65 4.862 -4.508 -8.468 519 3HG2 THR 65 HG23 THR 65 6.338 -3.984 -9.288 520 H LEU 66 HN LEU 66 5.948 -1.361 -5.051 521 HA LEU 66 HA LEU 66 5.627 0.511 -3.898 522 1HB LEU 66 HB2 LEU 66 7.649 1.268 -5.134 523 2HB LEU 66 HB1 LEU 66 6.640 1.900 -6.405 524 HG LEU 66 HG LEU 66 7.684 3.572 -4.755 525 1HD1 LEU 66 HD11 LEU 66 5.726 5.005 -4.762 526 2HD1 LEU 66 HD12 LEU 66 4.718 3.590 -5.118 527 3HD1 LEU 66 HD13 LEU 66 5.906 4.148 -6.303 528 1HD2 LEU 66 HD21 LEU 66 5.428 2.571 -3.064 529 2HD2 LEU 66 HD22 LEU 66 6.461 3.950 -2.697 530 3HD2 LEU 66 HD23 LEU 66 7.142 2.314 -2.703 531 H ARG 67 HN ARG 67 4.377 1.178 -7.158 532 HA ARG 67 HA ARG 67 2.222 2.646 -5.981 533 1HB ARG 67 HB2 ARG 67 2.824 1.967 -8.837 534 2HB ARG 67 HB1 ARG 67 1.325 2.762 -8.363 535 1HG ARG 67 HG2 ARG 67 4.118 3.795 -7.893 536 2HG ARG 67 HG1 ARG 67 2.943 4.414 -9.062 537 1HD ARG 67 HD2 ARG 67 1.408 4.906 -7.151 538 2HD ARG 67 HD1 ARG 67 2.711 4.390 -6.074 539 HE ARG 67 HE ARG 67 3.909 6.295 -6.593 540 1HH1 ARG 67 HH11 ARG 67 0.935 6.310 -8.523 541 2HH1 ARG 67 HH12 ARG 67 0.710 7.992 -8.437 542 1HH2 ARG 67 HH21 ARG 67 3.591 8.749 -6.552 543 2HH2 ARG 67 HH22 ARG 67 2.252 9.351 -7.375 544 H LYS 68 HN LYS 68 2.720 -0.578 -6.381 545 HA LYS 68 HA LYS 68 -0.006 -1.345 -6.657 546 1HB LYS 68 HB2 LYS 68 1.933 -2.927 -7.020 547 2HB LYS 68 HB1 LYS 68 2.179 -2.925 -5.275 548 1HG LYS 68 HG2 LYS 68 -0.016 -3.853 -4.926 549 2HG LYS 68 HG1 LYS 68 -0.339 -3.798 -6.656 550 1HD LYS 68 HD2 LYS 68 1.464 -5.390 -7.042 551 2HD LYS 68 HD1 LYS 68 1.803 -5.431 -5.303 552 1HE LYS 68 HE2 LYS 68 -0.463 -6.208 -4.891 553 2HE LYS 68 HE1 LYS 68 -0.797 -6.193 -6.616 554 1HZ LYS 68 HZ1 LYS 68 1.044 -7.853 -6.843 555 2HZ LYS 68 HZ2 LYS 68 -0.338 -8.369 -6.031 556 3HZ LYS 68 HZ3 LYS 68 1.046 -8.003 -5.136 557 H LEU 69 HN LEU 69 1.923 -0.154 -4.128 558 HA LEU 69 HA LEU 69 0.423 -0.907 -1.873 559 1HB LEU 69 HB2 LEU 69 2.131 1.508 -2.379 560 2HB LEU 69 HB1 LEU 69 1.165 1.431 -0.930 561 HG LEU 69 HG LEU 69 3.414 0.810 -0.424 562 1HD1 LEU 69 HD11 LEU 69 1.707 -0.316 0.821 563 2HD1 LEU 69 HD12 LEU 69 3.086 -1.390 0.577 564 3HD1 LEU 69 HD13 LEU 69 1.623 -1.598 -0.385 565 1HD2 LEU 69 HD21 LEU 69 4.175 0.052 -2.610 566 2HD2 LEU 69 HD22 LEU 69 3.143 -1.370 -2.492 567 3HD2 LEU 69 HD23 LEU 69 4.501 -1.170 -1.381 568 H GLN 70 HN GLN 70 -0.069 1.886 -4.007 569 HA GLN 70 HA GLN 70 -2.471 2.609 -2.594 570 1HB GLN 70 HB2 GLN 70 -2.784 4.265 -4.535 571 2HB GLN 70 HB1 GLN 70 -1.459 4.520 -3.422 572 1HG GLN 70 HG2 GLN 70 0.121 3.760 -5.002 573 2HG GLN 70 HG1 GLN 70 -1.151 3.168 -6.087 574 1HE2 GLN 70 HE21 GLN 70 -2.153 4.597 -7.406 575 2HE2 GLN 70 HE22 GLN 70 -1.646 6.232 -7.598 576 H GLU 71 HN GLU 71 -1.898 0.166 -4.517 577 HA GLU 71 HA GLU 71 -4.493 0.209 -5.858 578 1HB GLU 71 HB2 GLU 71 -2.543 -0.411 -7.203 579 2HB GLU 71 HB1 GLU 71 -2.131 -1.673 -6.057 580 1HG GLU 71 HG2 GLU 71 -4.014 -2.971 -6.705 581 2HG GLU 71 HG1 GLU 71 -4.671 -1.645 -7.664 582 H MET 72 HN MET 72 -2.804 -1.024 -3.159 583 HA MET 72 HA MET 72 -5.061 -2.807 -2.455 584 1HB MET 72 HB2 MET 72 -2.160 -3.017 -1.595 585 2HB MET 72 HB1 MET 72 -3.454 -4.095 -1.103 586 1HG MET 72 HG2 MET 72 -2.349 -3.758 -3.880 587 2HG MET 72 HG1 MET 72 -2.072 -5.111 -2.793 588 1HE MET 72 HE1 MET 72 -3.067 -5.373 -5.792 589 2HE MET 72 HE2 MET 72 -4.289 -6.631 -5.626 590 3HE MET 72 HE3 MET 72 -2.768 -6.752 -4.737 591 H SER 73 HN SER 73 -4.499 0.070 -2.062 592 HA SER 73 HA SER 73 -3.670 0.364 0.627 593 1HB SER 73 HB2 SER 73 -4.143 2.798 0.278 594 2HB SER 73 HB1 SER 73 -3.046 2.065 -0.870 595 HG SER 73 HG SER 73 -5.394 1.746 -1.966 596 H SER 74 HN SER 74 -6.774 0.437 -1.036 597 HA SER 74 HA SER 74 -8.904 0.575 -0.389 598 1HB SER 74 HB2 SER 74 -7.883 -0.788 2.117 599 2HB SER 74 HB1 SER 74 -9.551 -0.785 1.558 600 HG SER 74 HG SER 74 -8.337 -1.703 -0.485 601 H LYS 75 HN LYS 75 -8.938 2.909 -0.279 602 HA LYS 75 HA LYS 75 -8.463 4.186 2.271 603 1HB LYS 75 HB2 LYS 75 -9.574 5.286 -0.317 604 2HB LYS 75 HB1 LYS 75 -9.536 6.223 1.158 605 1HG LYS 75 HG2 LYS 75 -7.699 6.954 -0.045 606 2HG LYS 75 HG1 LYS 75 -7.013 5.834 1.120 607 1HD LYS 75 HD2 LYS 75 -6.882 4.114 -0.578 608 2HD LYS 75 HD1 LYS 75 -7.659 5.185 -1.756 609 1HE LYS 75 HE2 LYS 75 -5.799 6.776 -1.497 610 2HE LYS 75 HE1 LYS 75 -5.024 5.662 -0.378 611 1HZ LYS 75 HZ1 LYS 75 -4.019 5.343 -2.400 612 2HZ LYS 75 HZ2 LYS 75 -5.466 5.285 -3.295 613 3HZ LYS 75 HZ3 LYS 75 -5.042 4.022 -2.238 614 H ALA 76 HN ALA 76 -11.161 3.028 0.410 615 HA ALA 76 HA ALA 76 -13.405 2.940 0.726 616 1HB ALA 76 HB1 ALA 76 -12.842 1.729 2.825 617 2HB ALA 76 HB2 ALA 76 -14.266 2.744 3.057 618 3HB ALA 76 HB3 ALA 76 -12.699 3.268 3.676 619 H GLY 77 HN GLY 77 -12.517 5.099 -0.224 620 1HA GLY 77 HA2 GLY 77 -14.197 7.150 -0.005 621 2HA GLY 77 HA1 GLY 77 -13.056 7.476 1.301 622 H SER 78 HN SER 78 -13.445 7.121 -2.127 623 HA SER 78 HA SER 78 -10.736 7.502 -2.806 624 1HB SER 78 HB2 SER 78 -11.693 7.925 -5.135 625 2HB SER 78 HB1 SER 78 -12.057 6.364 -4.398 626 HG SER 78 HG SER 78 -14.113 7.062 -3.936 627 H ASP 79 HN ASP 79 -12.816 9.677 -1.496 628 HA ASP 79 HA ASP 79 -11.656 11.965 -2.891 629 1HB ASP 79 HB2 ASP 79 -13.859 11.850 -0.819 630 2HB ASP 79 HB1 ASP 79 -13.240 13.330 -1.532 631 H THR 80 HN THR 80 -9.994 10.314 -1.189 632 HA THR 80 HA THR 80 -9.511 11.941 1.152 633 HB THR 80 HB THR 80 -7.846 9.665 -0.025 634 HG1 THR 80 HG1 THR 80 -9.819 8.823 0.650 635 1HG2 THR 80 HG21 THR 80 -6.834 9.524 2.221 636 2HG2 THR 80 HG22 THR 80 -7.798 10.909 2.741 637 3HG2 THR 80 HG23 THR 80 -6.552 11.114 1.510 638 H GLU 81 HN GLU 81 -8.380 11.608 -2.098 639 HA GLU 81 HA GLU 81 -6.437 13.775 -1.854 640 1HB GLU 81 HB2 GLU 81 -6.103 11.842 -3.420 641 2HB GLU 81 HB1 GLU 81 -7.550 12.320 -4.284 642 1HG GLU 81 HG2 GLU 81 -6.484 14.378 -4.988 643 2HG GLU 81 HG1 GLU 81 -5.046 13.976 -4.046 644 H LEU 82 HN LEU 82 -9.635 13.282 -2.075 645 HA LEU 82 HA LEU 82 -11.522 14.327 -2.432 646 1HB LEU 82 HB2 LEU 82 -9.883 16.849 -2.099 647 2HB LEU 82 HB1 LEU 82 -11.620 16.857 -2.280 648 HG LEU 82 HG LEU 82 -11.661 15.410 -0.150 649 1HD1 LEU 82 HD11 LEU 82 -9.790 15.692 1.376 650 2HD1 LEU 82 HD12 LEU 82 -8.871 16.491 0.101 651 3HD1 LEU 82 HD13 LEU 82 -9.330 14.795 -0.071 652 1HD2 LEU 82 HD21 LEU 82 -11.545 17.380 1.291 653 2HD2 LEU 82 HD22 LEU 82 -12.408 17.719 -0.210 654 3HD2 LEU 82 HD23 LEU 82 -10.748 18.278 0.001 655 H ALA 83 HN ALA 83 -9.900 16.920 -4.032 656 HA ALA 83 HA ALA 83 -10.119 16.211 -6.669 657 1HB ALA 83 HB1 ALA 83 -12.551 16.071 -6.308 658 2HB ALA 83 HB2 ALA 83 -12.175 17.494 -7.283 659 3HB ALA 83 HB3 ALA 83 -12.549 17.672 -5.568 660 H ALA 84 HN ALA 84 -10.332 18.516 -7.865 661 HA ALA 84 HA ALA 84 -8.806 20.367 -6.191 662 1HB ALA 84 HB1 ALA 84 -7.875 21.251 -8.282 663 2HB ALA 84 HB2 ALA 84 -8.827 20.086 -9.201 664 3HB ALA 84 HB3 ALA 84 -7.548 19.524 -8.125 665 HA PRO 85 HA PRO 85 -12.626 22.667 -6.913 666 1HB PRO 85 HB2 PRO 85 -12.125 24.067 -4.454 667 2HB PRO 85 HB1 PRO 85 -13.350 22.836 -4.762 668 1HG PRO 85 HG2 PRO 85 -11.184 22.500 -3.081 669 2HG PRO 85 HG1 PRO 85 -12.081 21.178 -3.848 670 1HD PRO 85 HD2 PRO 85 -9.483 22.427 -4.654 671 2HD PRO 85 HD1 PRO 85 -9.972 20.718 -4.684 672 H LYS 86 HN LYS 86 -11.948 23.976 -8.539 673 HA LYS 86 HA LYS 86 -9.818 25.882 -8.024 674 1HB LYS 86 HB2 LYS 86 -11.263 25.239 -10.593 675 2HB LYS 86 HB1 LYS 86 -9.827 26.249 -10.434 676 1HG LYS 86 HG2 LYS 86 -8.561 24.322 -9.612 677 2HG LYS 86 HG1 LYS 86 -9.995 23.314 -9.765 678 1HD LYS 86 HD2 LYS 86 -8.557 24.717 -12.018 679 2HD LYS 86 HD1 LYS 86 -8.468 22.996 -11.646 680 1HE LYS 86 HE2 LYS 86 -10.909 24.530 -12.538 681 2HE LYS 86 HE1 LYS 86 -9.984 23.376 -13.495 682 1HZ LYS 86 HZ1 LYS 86 -11.942 22.336 -12.676 683 2HZ LYS 86 HZ2 LYS 86 -11.660 22.786 -11.106 684 3HZ LYS 86 HZ3 LYS 86 -10.664 21.631 -11.833 685 H SER 87 HN SER 87 -13.240 25.790 -8.283 686 HA SER 87 HA SER 87 -13.268 28.710 -8.392 687 1HB SER 87 HB2 SER 87 -14.345 27.683 -10.357 688 2HB SER 87 HB1 SER 87 -15.402 26.755 -9.297 689 HG SER 87 HG SER 87 -16.432 28.620 -10.065 690 H LYS 88 HN LYS 88 -13.605 29.484 -6.450 691 HA LYS 88 HA LYS 88 -15.130 27.922 -4.539 692 1HB LYS 88 HB2 LYS 88 -13.355 30.291 -4.269 693 2HB LYS 88 HB1 LYS 88 -14.553 29.974 -3.024 694 1HG LYS 88 HG2 LYS 88 -13.613 27.694 -2.786 695 2HG LYS 88 HG1 LYS 88 -12.336 28.158 -3.912 696 1HD LYS 88 HD2 LYS 88 -11.414 29.689 -2.426 697 2HD LYS 88 HD1 LYS 88 -12.908 29.810 -1.490 698 1HE LYS 88 HE2 LYS 88 -11.118 27.388 -1.630 699 2HE LYS 88 HE1 LYS 88 -11.174 28.546 -0.296 700 1HZ LYS 88 HZ1 LYS 88 -13.405 26.784 -1.194 701 2HZ LYS 88 HZ2 LYS 88 -13.577 27.963 -0.048 702 3HZ LYS 88 HZ3 LYS 88 -12.570 26.643 0.259 703 H ASN 89 HN ASN 89 -15.831 30.143 -6.811 704 HA ASN 89 HA ASN 89 -18.358 30.695 -5.463 705 1HB ASN 89 HB2 ASN 89 -16.992 32.772 -5.409 706 2HB ASN 89 HB1 ASN 89 -16.831 32.699 -7.157 707 1HD2 ASN 89 HD21 ASN 89 -18.599 33.275 -8.436 708 2HD2 ASN 89 HD22 ASN 89 -19.976 34.090 -7.781
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