NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
583032 | 2mp5 | 19963 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 HT1 SER 1 11.813 -3.841 -13.798 2 H2 SER 1 HT2 SER 1 11.553 -4.475 -12.224 3 H3 SER 1 HT3 SER 1 13.111 -3.918 -12.681 4 HA SER 1 HA SER 1 12.015 -1.709 -13.063 5 HB2 SER 1 HB2 SER 1 10.025 -2.595 -11.030 6 HB3 SER 1 HB1 SER 1 9.880 -1.366 -12.287 7 HG SER 1 HG SER 1 9.423 -4.111 -12.410 8 HA PRO 2 HA PRO 2 14.824 -2.229 -9.374 9 HB2 PRO 2 HB2 PRO 2 15.855 0.257 -10.644 10 HB3 PRO 2 HB1 PRO 2 16.741 -1.130 -10.001 11 HG2 PRO 2 HG2 PRO 2 16.487 -0.780 -12.628 12 HG3 PRO 2 HG1 PRO 2 16.403 -2.401 -11.912 13 HD2 PRO 2 HD2 PRO 2 14.199 -0.655 -12.924 14 HD3 PRO 2 HD1 PRO 2 14.381 -2.418 -13.027 15 HA PRO 3 HA PRO 3 13.080 1.108 -7.006 16 HB2 PRO 3 HB2 PRO 3 14.968 1.567 -5.155 17 HB3 PRO 3 HB1 PRO 3 14.121 0.022 -5.253 18 HG2 PRO 3 HG2 PRO 3 16.894 0.697 -5.995 19 HG3 PRO 3 HG1 PRO 3 16.201 -0.865 -5.534 20 HD2 PRO 3 HD2 PRO 3 16.748 0.122 -8.170 21 HD3 PRO 3 HD1 PRO 3 16.039 -1.438 -7.715 22 H VAL 4 HN VAL 4 13.035 2.768 -8.681 23 HA VAL 4 HA VAL 4 15.095 4.838 -8.260 24 HB VAL 4 HB VAL 4 14.148 5.570 -10.648 25 HG11 VAL 4 HG11 VAL 4 16.305 3.557 -10.058 26 HG12 VAL 4 HG12 VAL 4 16.471 5.303 -10.240 27 HG13 VAL 4 HG13 VAL 4 16.081 4.304 -11.639 28 HG21 VAL 4 HG21 VAL 4 14.118 2.581 -10.910 29 HG22 VAL 4 HG22 VAL 4 13.566 3.798 -12.061 30 HG23 VAL 4 HG23 VAL 4 12.645 3.495 -10.587 31 H CYS 5 HN CYS 5 14.325 6.491 -7.158 32 HA CYS 5 HA CYS 5 11.487 7.042 -7.063 33 HB2 CYS 5 HB2 CYS 5 13.789 7.667 -5.453 34 HB3 CYS 5 HB1 CYS 5 12.976 9.167 -5.880 35 H GLY 6 HN GLY 6 10.658 7.959 -8.839 36 HA2 GLY 6 HA2 GLY 6 10.316 10.090 -9.972 37 HA3 GLY 6 HA1 GLY 6 12.063 10.308 -9.941 38 H ASN 7 HN ASN 7 10.614 7.240 -10.614 39 HA ASN 7 HA ASN 7 11.305 7.489 -13.462 40 HB2 ASN 7 HB2 ASN 7 12.088 5.440 -11.442 41 HB3 ASN 7 HB1 ASN 7 11.693 4.863 -13.060 42 HD21 ASN 7 HD21 ASN 7 13.372 4.667 -14.334 43 HD22 ASN 7 HD22 ASN 7 14.806 5.630 -14.296 44 H LYS 8 HN LYS 8 8.879 7.255 -11.357 45 HA LYS 8 HA LYS 8 6.680 6.813 -11.613 46 HB2 LYS 8 HB2 LYS 8 7.326 7.094 -14.157 47 HB3 LYS 8 HB1 LYS 8 7.083 5.353 -14.189 48 HG2 LYS 8 HG2 LYS 8 4.810 5.598 -13.461 49 HG3 LYS 8 HG1 LYS 8 5.033 7.332 -13.221 50 HD2 LYS 8 HD2 LYS 8 5.599 7.458 -15.690 51 HD3 LYS 8 HD1 LYS 8 5.003 5.801 -15.812 52 HE2 LYS 8 HE2 LYS 8 3.248 7.752 -14.447 53 HE3 LYS 8 HE1 LYS 8 3.451 7.954 -16.187 54 HZ1 LYS 8 HZ1 LYS 8 2.443 5.965 -16.629 55 HZ2 LYS 8 HZ2 LYS 8 1.591 6.420 -15.241 56 HZ3 LYS 8 HZ3 LYS 8 2.839 5.284 -15.131 57 H ILE 9 HN ILE 9 8.925 4.870 -10.761 58 HA ILE 9 HA ILE 9 7.244 2.450 -10.760 59 HB ILE 9 HB ILE 9 9.948 1.850 -10.010 60 HG12 ILE 9 HG12 ILE 9 9.650 3.169 -12.717 61 HG13 ILE 9 HG11 ILE 9 10.593 3.784 -11.361 62 HG21 ILE 9 HG21 ILE 9 9.016 -0.007 -10.801 63 HG22 ILE 9 HG22 ILE 9 9.494 0.589 -12.390 64 HG23 ILE 9 HG23 ILE 9 7.860 0.880 -11.794 65 HD11 ILE 9 HD11 ILE 9 11.117 1.295 -12.960 66 HD12 ILE 9 HD12 ILE 9 11.988 1.733 -11.489 67 HD13 ILE 9 HD13 ILE 9 12.083 2.770 -12.914 68 H LEU 10 HN LEU 10 6.291 2.224 -8.848 69 HA LEU 10 HA LEU 10 7.272 3.448 -6.465 70 HB2 LEU 10 HB2 LEU 10 5.508 1.850 -5.409 71 HB3 LEU 10 HB1 LEU 10 4.976 3.195 -6.399 72 HG LEU 10 HG LEU 10 5.390 0.722 -7.917 73 HD11 LEU 10 HD11 LEU 10 4.528 -0.032 -5.624 74 HD12 LEU 10 HD12 LEU 10 3.647 -0.562 -7.057 75 HD13 LEU 10 HD13 LEU 10 3.023 0.768 -6.080 76 HD21 LEU 10 HD21 LEU 10 2.984 1.397 -8.573 77 HD22 LEU 10 HD22 LEU 10 4.325 2.430 -9.068 78 HD23 LEU 10 HD23 LEU 10 3.330 2.880 -7.683 79 H GLU 11 HN GLU 11 9.465 2.400 -6.953 80 HA GLU 11 HA GLU 11 9.606 -0.174 -5.525 81 HB2 GLU 11 HB2 GLU 11 10.089 -0.445 -7.924 82 HB3 GLU 11 HB1 GLU 11 11.373 0.748 -7.796 83 HG2 GLU 11 HG2 GLU 11 12.227 -1.542 -7.804 84 HG3 GLU 11 HG1 GLU 11 12.613 -0.694 -6.307 85 H GLN 12 HN GLN 12 11.246 2.876 -6.274 86 HA GLN 12 HA GLN 12 13.405 2.493 -4.476 87 HB2 GLN 12 HB2 GLN 12 13.378 4.138 -6.341 88 HB3 GLN 12 HB1 GLN 12 12.223 5.101 -5.437 89 HG2 GLN 12 HG2 GLN 12 14.586 5.883 -5.297 90 HG3 GLN 12 HG1 GLN 12 13.813 5.579 -3.743 91 HE21 GLN 12 HE21 GLN 12 16.515 5.038 -5.611 92 HE22 GLN 12 HE22 GLN 12 17.214 3.743 -4.706 93 H GLY 13 HN GLY 13 11.710 1.600 -2.799 94 HA2 GLY 13 HA2 GLY 13 10.434 1.893 -0.878 95 HA3 GLY 13 HA1 GLY 13 11.846 2.838 -0.442 96 H GLU 14 HN GLU 14 9.426 3.643 -2.882 97 HA GLU 14 HA GLU 14 8.925 6.138 -1.450 98 HB2 GLU 14 HB2 GLU 14 7.920 6.926 -3.556 99 HB3 GLU 14 HB1 GLU 14 9.576 6.386 -3.764 100 HG2 GLU 14 HG2 GLU 14 7.276 4.566 -4.350 101 HG3 GLU 14 HG1 GLU 14 7.841 5.738 -5.529 102 H ASP 15 HN ASP 15 7.146 3.434 -2.892 103 HA ASP 15 HA ASP 15 5.098 2.558 -2.410 104 HB2 ASP 15 HB2 ASP 15 5.918 3.516 0.015 105 HB3 ASP 15 HB1 ASP 15 4.415 4.404 -0.217 106 H CYS 16 HN CYS 16 5.671 5.349 -3.759 107 HA CYS 16 HA CYS 16 3.361 5.751 -5.092 108 HB2 CYS 16 HB2 CYS 16 3.106 6.754 -2.365 109 HB3 CYS 16 HB1 CYS 16 2.795 7.996 -3.571 110 H ASP 17 HN ASP 17 4.908 6.295 -6.626 111 HA ASP 17 HA ASP 17 5.786 9.081 -6.486 112 HB2 ASP 17 HB2 ASP 17 7.719 7.817 -5.712 113 HB3 ASP 17 HB1 ASP 17 7.625 6.767 -7.122 114 H CYS 18 HN CYS 18 6.458 9.941 -8.550 115 HA CYS 18 HA CYS 18 5.253 8.542 -10.845 116 HB2 CYS 18 HB2 CYS 18 5.266 11.510 -10.264 117 HB3 CYS 18 HB1 CYS 18 4.684 10.774 -11.751 118 H GLY 19 HN GLY 19 6.281 8.886 -12.887 119 HA2 GLY 19 HA2 GLY 19 9.038 8.784 -12.926 120 HA3 GLY 19 HA1 GLY 19 8.056 9.252 -14.307 121 H SER 20 HN SER 20 6.992 11.637 -13.486 122 HA SER 20 HA SER 20 9.266 13.322 -12.737 123 HB2 SER 20 HB2 SER 20 7.507 14.122 -15.042 124 HB3 SER 20 HB1 SER 20 9.104 14.731 -14.608 125 HG SER 20 HG SER 20 10.019 12.877 -15.368 126 HA PRO 21 HA PRO 21 6.254 15.030 -9.916 127 HB2 PRO 21 HB2 PRO 21 7.913 17.470 -10.401 128 HB3 PRO 21 HB1 PRO 21 7.349 16.779 -8.875 129 HG2 PRO 21 HG2 PRO 21 9.868 16.445 -9.668 130 HG3 PRO 21 HG1 PRO 21 8.985 15.138 -8.859 131 HD2 PRO 21 HD2 PRO 21 9.722 15.435 -11.724 132 HD3 PRO 21 HD1 PRO 21 9.525 13.964 -10.752 133 H ALA 22 HN ALA 22 7.141 16.508 -12.973 134 HA ALA 22 HA ALA 22 4.851 18.281 -12.980 135 HB1 ALA 22 HB1 ALA 22 5.716 18.611 -15.426 136 HB2 ALA 22 HB2 ALA 22 7.151 17.786 -14.816 137 HB3 ALA 22 HB3 ALA 22 6.612 19.289 -14.066 138 H ASN 23 HN ASN 23 5.747 15.161 -14.230 139 HA ASN 23 HA ASN 23 3.220 15.011 -15.723 140 HB2 ASN 23 HB2 ASN 23 5.838 13.561 -16.002 141 HB3 ASN 23 HB1 ASN 23 4.358 12.877 -16.666 142 HD21 ASN 23 HD21 ASN 23 6.764 13.835 -18.013 143 HD22 ASN 23 HD22 ASN 23 6.236 15.052 -19.120 144 H CYS 24 HN CYS 24 3.725 14.667 -12.770 145 HA CYS 24 HA CYS 24 3.426 11.940 -12.127 146 HB2 CYS 24 HB2 CYS 24 4.253 13.638 -10.532 147 HB3 CYS 24 HB1 CYS 24 2.647 14.358 -10.495 148 H GLN 25 HN GLN 25 1.823 11.124 -13.429 149 HA GLN 25 HA GLN 25 -0.863 12.199 -13.261 150 HB2 GLN 25 HB2 GLN 25 0.578 10.346 -15.000 151 HB3 GLN 25 HB1 GLN 25 -1.050 9.800 -14.622 152 HG2 GLN 25 HG2 GLN 25 -1.936 11.952 -15.390 153 HG3 GLN 25 HG1 GLN 25 -0.300 12.461 -15.807 154 HE21 GLN 25 HE21 GLN 25 -2.122 9.452 -16.280 155 HE22 GLN 25 HE22 GLN 25 -1.881 9.373 -17.989 156 H ASP 26 HN ASP 26 -0.035 11.434 -10.763 157 HA ASP 26 HA ASP 26 -1.883 9.240 -10.210 158 HB2 ASP 26 HB2 ASP 26 0.833 8.813 -10.139 159 HB3 ASP 26 HB1 ASP 26 0.480 9.227 -8.464 160 H ARG 27 HN ARG 27 -3.383 10.600 -9.343 161 HA ARG 27 HA ARG 27 -2.842 12.757 -7.628 162 HB2 ARG 27 HB2 ARG 27 -4.946 12.508 -8.855 163 HB3 ARG 27 HB1 ARG 27 -5.358 11.105 -7.880 164 HG2 ARG 27 HG2 ARG 27 -5.807 12.368 -6.006 165 HG3 ARG 27 HG1 ARG 27 -4.805 13.716 -6.547 166 HD2 ARG 27 HD2 ARG 27 -7.247 14.174 -6.646 167 HD3 ARG 27 HD1 ARG 27 -6.426 14.341 -8.197 168 HE ARG 27 HE ARG 27 -7.572 11.740 -7.776 169 HH11 ARG 27 HH11 ARG 27 -8.192 14.989 -8.891 170 HH12 ARG 27 HH12 ARG 27 -9.515 14.522 -9.905 171 HH21 ARG 27 HH21 ARG 27 -9.313 11.124 -9.109 172 HH22 ARG 27 HH22 ARG 27 -10.153 12.328 -10.028 173 H CYS 28 HN CYS 28 -2.819 9.389 -7.042 174 HA CYS 28 HA CYS 28 -3.136 9.771 -4.155 175 HB2 CYS 28 HB2 CYS 28 -2.972 7.215 -5.767 176 HB3 CYS 28 HB1 CYS 28 -3.271 7.318 -4.035 177 H CYS 29 HN CYS 29 -0.732 9.353 -6.549 178 HA CYS 29 HA CYS 29 1.276 8.870 -4.450 179 HB2 CYS 29 HB2 CYS 29 1.284 7.826 -7.288 180 HB3 CYS 29 HB1 CYS 29 2.632 7.684 -6.168 181 H ASN 30 HN ASN 30 2.740 10.441 -4.262 182 HA ASN 30 HA ASN 30 3.058 12.322 -6.510 183 HB2 ASN 30 HB2 ASN 30 2.071 13.344 -4.515 184 HB3 ASN 30 HB1 ASN 30 3.441 12.808 -3.549 185 HD21 ASN 30 HD21 ASN 30 4.691 14.448 -3.068 186 HD22 ASN 30 HD22 ASN 30 5.130 15.744 -4.121 187 H ALA 31 HN ALA 31 4.998 12.620 -7.394 188 HA ALA 31 HA ALA 31 7.182 10.924 -6.658 189 HB1 ALA 31 HB1 ALA 31 7.912 13.057 -8.469 190 HB2 ALA 31 HB2 ALA 31 6.401 12.288 -8.952 191 HB3 ALA 31 HB3 ALA 31 7.857 11.316 -8.744 192 H ALA 32 HN ALA 32 6.515 14.385 -6.435 193 HA ALA 32 HA ALA 32 8.985 15.301 -5.578 194 HB1 ALA 32 HB1 ALA 32 7.907 17.239 -5.509 195 HB2 ALA 32 HB2 ALA 32 6.879 16.682 -4.189 196 HB3 ALA 32 HB3 ALA 32 6.417 16.363 -5.860 197 H THR 33 HN THR 33 6.792 13.260 -3.915 198 HA THR 33 HA THR 33 8.275 13.689 -1.404 199 HB THR 33 HB THR 33 5.839 14.309 -1.326 200 HG1 THR 33 HG1 THR 33 5.594 13.425 0.647 201 HG21 THR 33 HG21 THR 33 5.208 12.288 -2.835 202 HG22 THR 33 HG22 THR 33 4.124 12.799 -1.541 203 HG23 THR 33 HG23 THR 33 5.179 11.405 -1.310 204 H CYS 34 HN CYS 34 7.287 11.486 -3.851 205 HA CYS 34 HA CYS 34 7.692 9.288 -4.210 206 HB2 CYS 34 HB2 CYS 34 9.826 10.005 -2.234 207 HB3 CYS 34 HB1 CYS 34 9.567 8.306 -2.614 208 H LYS 35 HN LYS 35 5.562 10.024 -2.609 209 HA LYS 35 HA LYS 35 5.060 7.579 -1.203 210 HB2 LYS 35 HB2 LYS 35 5.206 8.217 0.970 211 HB3 LYS 35 HB1 LYS 35 6.371 9.361 0.324 212 HG2 LYS 35 HG2 LYS 35 5.185 10.911 1.387 213 HG3 LYS 35 HG1 LYS 35 4.008 10.736 0.087 214 HD2 LYS 35 HD2 LYS 35 2.613 9.387 1.364 215 HD3 LYS 35 HD1 LYS 35 3.909 8.925 2.468 216 HE2 LYS 35 HE2 LYS 35 3.768 10.883 3.668 217 HE3 LYS 35 HE1 LYS 35 3.085 11.786 2.316 218 HZ1 LYS 35 HZ1 LYS 35 1.587 9.635 3.689 219 HZ2 LYS 35 HZ2 LYS 35 0.985 10.840 2.667 220 HZ3 LYS 35 HZ3 LYS 35 1.536 11.243 4.214 221 H LEU 36 HN LEU 36 2.844 7.723 -0.063 222 HA LEU 36 HA LEU 36 0.907 8.380 -1.953 223 HB2 LEU 36 HB2 LEU 36 0.522 8.099 1.027 224 HB3 LEU 36 HB1 LEU 36 -0.730 7.965 -0.193 225 HG LEU 36 HG LEU 36 1.531 6.110 -0.541 226 HD11 LEU 36 HD11 LEU 36 1.526 5.882 1.788 227 HD12 LEU 36 HD12 LEU 36 0.492 4.575 1.211 228 HD13 LEU 36 HD13 LEU 36 -0.228 6.035 1.888 229 HD21 LEU 36 HD21 LEU 36 -0.853 6.324 -1.682 230 HD22 LEU 36 HD22 LEU 36 -1.310 5.283 -0.334 231 HD23 LEU 36 HD23 LEU 36 -0.057 4.766 -1.462 232 H THR 37 HN THR 37 0.018 10.239 -2.544 233 HA THR 37 HA THR 37 0.759 12.722 -1.500 234 HB THR 37 HB THR 37 -0.836 13.678 -2.979 235 HG1 THR 37 HG1 THR 37 -2.745 12.863 -3.087 236 HG21 THR 37 HG21 THR 37 0.141 12.968 -4.824 237 HG22 THR 37 HG22 THR 37 -0.707 11.425 -4.728 238 HG23 THR 37 HG23 THR 37 0.838 11.635 -3.903 239 HA PRO 38 HA PRO 38 -1.676 13.498 2.082 240 HB2 PRO 38 HB2 PRO 38 -2.728 15.999 1.467 241 HB3 PRO 38 HB1 PRO 38 -1.145 15.705 2.192 242 HG2 PRO 38 HG2 PRO 38 -1.858 16.233 -0.659 243 HG3 PRO 38 HG1 PRO 38 -0.457 16.795 0.273 244 HD2 PRO 38 HD2 PRO 38 -0.240 14.794 -1.491 245 HD3 PRO 38 HD1 PRO 38 0.666 14.776 0.037 246 H GLY 39 HN GLY 39 -3.475 12.349 2.380 247 HA2 GLY 39 HA2 GLY 39 -5.947 12.644 2.392 248 HA3 GLY 39 HA1 GLY 39 -5.809 12.955 0.668 249 H SER 40 HN SER 40 -3.758 10.848 0.352 250 HA SER 40 HA SER 40 -5.587 8.547 0.409 251 HB2 SER 40 HB2 SER 40 -3.130 8.946 -1.314 252 HB3 SER 40 HB1 SER 40 -4.305 7.638 -1.445 253 HG SER 40 HG SER 40 -4.380 10.065 -2.556 254 H GLN 41 HN GLN 41 -4.938 6.583 1.234 255 HA GLN 41 HA GLN 41 -2.451 6.642 2.809 256 HB2 GLN 41 HB2 GLN 41 -5.113 5.336 3.280 257 HB3 GLN 41 HB1 GLN 41 -3.666 4.729 4.075 258 HG2 GLN 41 HG2 GLN 41 -3.441 7.338 4.655 259 HG3 GLN 41 HG1 GLN 41 -5.196 7.201 4.545 260 HE21 GLN 41 HE21 GLN 41 -6.133 5.328 5.773 261 HE22 GLN 41 HE22 GLN 41 -5.470 5.003 7.335 262 H CYS 42 HN CYS 42 -4.297 4.871 0.445 263 HA CYS 42 HA CYS 42 -2.158 2.843 0.328 264 HB2 CYS 42 HB2 CYS 42 -3.666 1.210 0.012 265 HB3 CYS 42 HB1 CYS 42 -4.766 2.337 0.788 266 H ASN 43 HN ASN 43 -2.243 1.765 -1.939 267 HA ASN 43 HA ASN 43 -2.870 3.267 -4.226 268 HB2 ASN 43 HB2 ASN 43 -0.674 4.000 -4.949 269 HB3 ASN 43 HB1 ASN 43 -1.028 4.710 -3.377 270 HD21 ASN 43 HD21 ASN 43 1.415 3.641 -5.047 271 HD22 ASN 43 HD22 ASN 43 2.375 2.881 -3.828 272 H TYR 44 HN TYR 44 -0.853 0.892 -2.664 273 HA TYR 44 HA TYR 44 -1.563 -1.109 -4.587 274 HB2 TYR 44 HB2 TYR 44 0.403 -1.407 -5.690 275 HB3 TYR 44 HB1 TYR 44 0.660 0.284 -5.281 276 HD1 TYR 44 HD1 TYR 44 1.351 -3.168 -4.099 277 HD2 TYR 44 HD2 TYR 44 2.522 0.918 -4.012 278 HE1 TYR 44 HE1 TYR 44 3.389 -3.789 -2.890 279 HE2 TYR 44 HE2 TYR 44 4.574 0.313 -2.806 280 HH TYR 44 HH TYR 44 6.012 -2.053 -2.687 281 H GLY 45 HN GLY 45 -1.694 -3.046 -3.572 282 HA2 GLY 45 HA2 GLY 45 -0.388 -4.512 -1.935 283 HA3 GLY 45 HA1 GLY 45 -0.630 -3.171 -0.827 284 H GLU 46 HN GLU 46 -1.480 -5.674 -0.144 285 HA GLU 46 HA GLU 46 -4.082 -6.384 -0.840 286 HB2 GLU 46 HB2 GLU 46 -2.276 -6.942 1.450 287 HB3 GLU 46 HB1 GLU 46 -3.981 -7.317 1.660 288 HG2 GLU 46 HG2 GLU 46 -2.973 -9.295 0.900 289 HG3 GLU 46 HG1 GLU 46 -3.834 -8.630 -0.487 290 H CYS 47 HN CYS 47 -2.974 -4.316 1.843 291 HA CYS 47 HA CYS 47 -5.596 -3.875 2.852 292 HB2 CYS 47 HB2 CYS 47 -2.889 -2.792 3.401 293 HB3 CYS 47 HB1 CYS 47 -4.253 -1.802 3.897 294 H CYS 48 HN CYS 48 -3.882 -2.511 0.211 295 HA CYS 48 HA CYS 48 -5.068 0.045 0.214 296 HB2 CYS 48 HB2 CYS 48 -3.055 -0.377 -1.064 297 HB3 CYS 48 HB1 CYS 48 -3.888 -1.581 -2.041 298 H ASP 49 HN ASP 49 -7.013 0.704 -0.314 299 HA ASP 49 HA ASP 49 -8.605 -0.686 -2.287 300 HB2 ASP 49 HB2 ASP 49 -9.056 -1.744 0.014 301 HB3 ASP 49 HB1 ASP 49 -9.835 -0.219 0.425 302 H GLN 50 HN GLN 50 -9.039 0.971 -3.595 303 HA GLN 50 HA GLN 50 -9.843 2.954 -4.367 304 HB2 GLN 50 HB2 GLN 50 -11.644 2.234 -2.516 305 HB3 GLN 50 HB1 GLN 50 -11.056 3.710 -1.762 306 HG2 GLN 50 HG2 GLN 50 -11.640 4.990 -3.723 307 HG3 GLN 50 HG1 GLN 50 -12.132 3.522 -4.566 308 HE21 GLN 50 HE21 GLN 50 -13.623 2.187 -2.826 309 HE22 GLN 50 HE22 GLN 50 -15.002 3.105 -2.336 310 H CYS 51 HN CYS 51 -7.250 2.929 -3.438 311 HA CYS 51 HA CYS 51 -5.528 4.301 -2.879 312 HB2 CYS 51 HB2 CYS 51 -7.686 6.265 -3.530 313 HB3 CYS 51 HB1 CYS 51 -6.174 6.842 -2.835 314 H ARG 52 HN ARG 52 -7.538 3.293 -0.830 315 HA ARG 52 HA ARG 52 -6.428 4.798 1.405 316 HB2 ARG 52 HB2 ARG 52 -9.074 5.198 0.539 317 HB3 ARG 52 HB1 ARG 52 -9.195 4.184 1.970 318 HG2 ARG 52 HG2 ARG 52 -7.438 6.021 2.848 319 HG3 ARG 52 HG1 ARG 52 -8.361 6.993 1.701 320 HD2 ARG 52 HD2 ARG 52 -10.362 6.671 2.852 321 HD3 ARG 52 HD1 ARG 52 -9.747 5.263 3.715 322 HE ARG 52 HE ARG 52 -8.188 7.397 4.512 323 HH11 ARG 52 HH11 ARG 52 -11.564 6.523 4.642 324 HH12 ARG 52 HH12 ARG 52 -11.865 7.406 6.101 325 HH21 ARG 52 HH21 ARG 52 -8.582 8.559 6.430 326 HH22 ARG 52 HH22 ARG 52 -10.172 8.563 7.116 327 H PHE 53 HN PHE 53 -5.651 3.415 2.865 328 HA PHE 53 HA PHE 53 -5.706 0.668 2.609 329 HB2 PHE 53 HB2 PHE 53 -5.216 2.403 5.024 330 HB3 PHE 53 HB1 PHE 53 -5.063 0.649 5.085 331 HD1 PHE 53 HD2 PHE 53 -3.936 0.306 2.286 332 HD2 PHE 53 HD1 PHE 53 -2.965 2.960 5.464 333 HE1 PHE 53 HE2 PHE 53 -1.654 0.477 1.433 334 HE2 PHE 53 HE1 PHE 53 -0.662 3.138 4.612 335 HZ PHE 53 HZ PHE 53 0.000 1.893 2.591 336 H LYS 54 HN LYS 54 -6.792 -1.013 3.612 337 HA LYS 54 HA LYS 54 -9.557 -0.461 4.177 338 HB2 LYS 54 HB2 LYS 54 -8.263 -3.102 4.764 339 HB3 LYS 54 HB1 LYS 54 -9.901 -2.770 4.227 340 HG2 LYS 54 HG2 LYS 54 -8.498 -1.841 2.118 341 HG3 LYS 54 HG1 LYS 54 -7.439 -3.139 2.674 342 HD2 LYS 54 HD2 LYS 54 -10.349 -3.703 2.455 343 HD3 LYS 54 HD1 LYS 54 -9.409 -3.587 0.964 344 HE2 LYS 54 HE2 LYS 54 -7.896 -5.300 1.742 345 HE3 LYS 54 HE1 LYS 54 -8.716 -5.358 3.302 346 HZ1 LYS 54 HZ1 LYS 54 -9.517 -6.485 0.739 347 HZ2 LYS 54 HZ2 LYS 54 -10.757 -5.844 1.694 348 HZ3 LYS 54 HZ3 LYS 54 -9.767 -7.072 2.306 349 H LYS 55 HN LYS 55 -10.314 0.182 6.058 350 HA LYS 55 HA LYS 55 -8.999 0.761 8.327 351 HB2 LYS 55 HB2 LYS 55 -11.363 1.307 7.933 352 HB3 LYS 55 HB1 LYS 55 -11.798 -0.373 8.217 353 HG2 LYS 55 HG2 LYS 55 -11.600 -0.192 10.460 354 HG3 LYS 55 HG1 LYS 55 -10.276 0.971 10.360 355 HD2 LYS 55 HD2 LYS 55 -11.928 2.689 9.633 356 HD3 LYS 55 HD1 LYS 55 -13.212 1.513 9.928 357 HE2 LYS 55 HE2 LYS 55 -11.239 2.164 12.080 358 HE3 LYS 55 HE1 LYS 55 -12.598 3.243 11.770 359 HZ1 LYS 55 HZ1 LYS 55 -13.941 1.030 11.916 360 HZ2 LYS 55 HZ2 LYS 55 -13.484 1.844 13.326 361 HZ3 LYS 55 HZ3 LYS 55 -12.604 0.497 12.805 362 H ALA 56 HN ALA 56 -7.982 -0.255 9.916 363 HA ALA 56 HA ALA 56 -7.210 -2.839 9.957 364 HB1 ALA 56 HB1 ALA 56 -6.150 -1.594 11.566 365 HB2 ALA 56 HB2 ALA 56 -7.234 -2.569 12.560 366 HB3 ALA 56 HB3 ALA 56 -7.653 -0.899 12.174 367 H GLY 57 HN GLY 57 -8.093 -4.765 10.281 368 HA2 GLY 57 HA2 GLY 57 -9.626 -6.137 11.655 369 HA3 GLY 57 HA1 GLY 57 -10.803 -4.842 11.473 370 H THR 58 HN THR 58 -9.524 -4.721 8.583 371 HA THR 58 HA THR 58 -11.577 -6.362 7.386 372 HB THR 58 HB THR 58 -9.377 -4.734 6.080 373 HG1 THR 58 HG1 THR 58 -10.548 -3.092 6.596 374 HG21 THR 58 HG21 THR 58 -11.994 -5.414 4.821 375 HG22 THR 58 HG22 THR 58 -10.629 -6.526 4.722 376 HG23 THR 58 HG23 THR 58 -10.485 -4.891 4.070 377 H VAL 59 HN VAL 59 -11.189 -8.516 7.402 378 HA VAL 59 HA VAL 59 -8.664 -9.712 7.461 379 HB VAL 59 HB VAL 59 -10.743 -10.884 8.114 380 HG11 VAL 59 HG11 VAL 59 -12.452 -11.329 6.727 381 HG12 VAL 59 HG12 VAL 59 -11.389 -11.696 5.369 382 HG13 VAL 59 HG13 VAL 59 -11.771 -10.020 5.762 383 HG21 VAL 59 HG21 VAL 59 -9.166 -12.491 7.944 384 HG22 VAL 59 HG22 VAL 59 -8.706 -12.017 6.309 385 HG23 VAL 59 HG23 VAL 59 -10.144 -13.004 6.569 386 H CYS 60 HN CYS 60 -7.162 -10.026 5.957 387 HA CYS 60 HA CYS 60 -8.009 -9.974 3.131 388 HB2 CYS 60 HB2 CYS 60 -5.292 -9.097 3.345 389 HB3 CYS 60 HB1 CYS 60 -6.679 -8.248 2.676 390 H ARG 61 HN ARG 61 -6.494 -11.768 5.533 391 HA ARG 61 HA ARG 61 -5.580 -13.689 3.565 392 HB2 ARG 61 HB2 ARG 61 -3.742 -11.897 4.747 393 HB3 ARG 61 HB1 ARG 61 -3.471 -13.463 5.499 394 HG2 ARG 61 HG2 ARG 61 -2.785 -14.439 3.550 395 HG3 ARG 61 HG1 ARG 61 -3.711 -13.328 2.539 396 HD2 ARG 61 HD2 ARG 61 -1.313 -12.916 2.340 397 HD3 ARG 61 HD1 ARG 61 -2.142 -11.535 3.056 398 HE ARG 61 HE ARG 61 -1.051 -13.364 4.990 399 HH11 ARG 61 HH11 ARG 61 -0.385 -10.595 2.971 400 HH12 ARG 61 HH12 ARG 61 0.913 -10.026 3.967 401 HH21 ARG 61 HH21 ARG 61 0.655 -12.615 6.299 402 HH22 ARG 61 HH22 ARG 61 1.503 -11.172 5.855 403 H ILE 62 HN ILE 62 -4.377 -15.542 4.921 404 HA ILE 62 HA ILE 62 -5.405 -16.041 7.532 405 HB ILE 62 HB ILE 62 -6.364 -18.315 6.123 406 HG12 ILE 62 HG12 ILE 62 -8.177 -17.400 4.795 407 HG13 ILE 62 HG11 ILE 62 -7.668 -15.758 5.168 408 HG21 ILE 62 HG21 ILE 62 -8.324 -17.951 7.372 409 HG22 ILE 62 HG22 ILE 62 -8.015 -16.219 7.497 410 HG23 ILE 62 HG23 ILE 62 -6.991 -17.363 8.366 411 HD11 ILE 62 HD11 ILE 62 -6.867 -17.415 3.022 412 HD12 ILE 62 HD12 ILE 62 -5.457 -17.126 4.043 413 HD13 ILE 62 HD13 ILE 62 -6.365 -15.764 3.386 414 H ALA 63 HN ALA 63 -4.012 -17.310 8.534 415 HA ALA 63 HA ALA 63 -1.686 -18.238 7.341 416 HB1 ALA 63 HB1 ALA 63 -1.210 -18.240 9.513 417 HB2 ALA 63 HB2 ALA 63 -1.966 -19.832 9.575 418 HB3 ALA 63 HB3 ALA 63 -2.909 -18.392 9.960 419 H ARG 64 HN ARG 64 -3.989 -20.469 8.854 420 HA ARG 64 HA ARG 64 -4.231 -22.071 6.479 421 HB2 ARG 64 HB2 ARG 64 -2.476 -22.957 8.753 422 HB3 ARG 64 HB1 ARG 64 -3.275 -24.126 7.712 423 HG2 ARG 64 HG2 ARG 64 -1.374 -23.982 6.532 424 HG3 ARG 64 HG1 ARG 64 -2.134 -22.540 5.858 425 HD2 ARG 64 HD2 ARG 64 -0.465 -21.304 6.639 426 HD3 ARG 64 HD1 ARG 64 -0.878 -21.788 8.282 427 HE ARG 64 HE ARG 64 1.258 -22.834 6.628 428 HH11 ARG 64 HH11 ARG 64 -0.697 -23.285 9.488 429 HH12 ARG 64 HH12 ARG 64 0.443 -24.340 10.250 430 HH21 ARG 64 HH21 ARG 64 2.754 -24.221 7.633 431 HH22 ARG 64 HH22 ARG 64 2.401 -24.871 9.199 432 H GLY 65 HN GLY 65 -6.225 -20.907 7.848 433 HA2 GLY 65 HA2 GLY 65 -8.182 -22.665 8.210 434 HA3 GLY 65 HA1 GLY 65 -7.327 -22.838 9.736 435 H ASP 66 HN ASP 66 -7.725 -21.430 11.337 436 HA ASP 66 HA ASP 66 -8.555 -18.771 10.987 437 HB2 ASP 66 HB2 ASP 66 -10.913 -19.077 11.902 438 HB3 ASP 66 HB1 ASP 66 -10.658 -19.527 10.219 439 H TRP 67 HN TRP 67 -6.919 -18.616 12.548 440 HA TRP 67 HA TRP 67 -7.760 -19.334 15.281 441 HB2 TRP 67 HB2 TRP 67 -4.959 -18.859 15.230 442 HB3 TRP 67 HB1 TRP 67 -5.790 -20.379 15.541 443 HD1 TRP 67 HD1 TRP 67 -4.313 -18.377 12.585 444 HE1 TRP 67 HE1 TRP 67 -3.658 -20.049 10.744 445 HE3 TRP 67 HE3 TRP 67 -6.121 -22.649 14.700 446 HZ2 TRP 67 HZ2 TRP 67 -3.884 -22.816 10.252 447 HZ3 TRP 67 HZ3 TRP 67 -5.866 -24.776 13.483 448 HH2 TRP 67 HH2 TRP 67 -4.768 -24.855 11.301 449 H ASN 68 HN ASN 68 -5.355 -17.239 13.773 450 HA ASN 68 HA ASN 68 -6.182 -15.047 15.538 451 HB2 ASN 68 HB2 ASN 68 -3.742 -15.042 13.772 452 HB3 ASN 68 HB1 ASN 68 -4.046 -14.089 15.221 453 HD21 ASN 68 HD21 ASN 68 -3.426 -17.346 14.042 454 HD22 ASN 68 HD22 ASN 68 -2.715 -17.935 15.502 455 H ASP 69 HN ASP 69 -6.034 -16.063 12.227 456 HA ASP 69 HA ASP 69 -6.881 -15.203 10.304 457 HB2 ASP 69 HB2 ASP 69 -8.421 -13.710 12.384 458 HB3 ASP 69 HB1 ASP 69 -8.567 -13.228 10.698 459 H ASP 70 HN ASP 70 -6.121 -13.842 8.787 460 HA ASP 70 HA ASP 70 -4.230 -11.830 9.606 461 HB2 ASP 70 HB2 ASP 70 -4.040 -13.421 7.573 462 HB3 ASP 70 HB1 ASP 70 -5.141 -12.299 6.780 463 H TYR 71 HN TYR 71 -4.620 -9.709 9.842 464 HA TYR 71 HA TYR 71 -7.014 -8.614 8.538 465 HB2 TYR 71 HB2 TYR 71 -6.305 -8.579 11.438 466 HB3 TYR 71 HB1 TYR 71 -7.273 -7.278 10.747 467 HD1 TYR 71 HD1 TYR 71 -9.331 -7.965 9.412 468 HD2 TYR 71 HD2 TYR 71 -7.332 -10.545 12.116 469 HE1 TYR 71 HE1 TYR 71 -11.357 -9.327 9.571 470 HE2 TYR 71 HE2 TYR 71 -9.339 -11.940 12.287 471 HH TYR 71 HH TYR 71 -12.018 -11.373 11.900 472 H CYS 72 HN CYS 72 -7.027 -6.529 7.972 473 HA CYS 72 HA CYS 72 -4.594 -5.242 7.383 474 HB2 CYS 72 HB2 CYS 72 -7.465 -4.687 7.112 475 HB3 CYS 72 HB1 CYS 72 -6.486 -3.238 7.320 476 H THR 73 HN THR 73 -3.974 -3.055 8.162 477 HA THR 73 HA THR 73 -4.593 -2.718 11.023 478 HB THR 73 HB THR 73 -2.313 -1.977 11.392 479 HG1 THR 73 HG1 THR 73 -0.810 -2.111 9.657 480 HG21 THR 73 HG21 THR 73 -1.377 -4.245 9.970 481 HG22 THR 73 HG22 THR 73 -2.973 -4.612 10.627 482 HG23 THR 73 HG23 THR 73 -1.681 -4.067 11.698 483 H GLY 74 HN GLY 74 -5.068 -1.372 8.075 484 HA2 GLY 74 HA2 GLY 74 -5.667 0.719 7.354 485 HA3 GLY 74 HA1 GLY 74 -6.036 1.058 9.037 486 H LYS 75 HN LYS 75 -2.793 0.161 8.337 487 HA LYS 75 HA LYS 75 -1.982 2.991 8.380 488 HB2 LYS 75 HB2 LYS 75 -0.132 2.441 9.846 489 HB3 LYS 75 HB1 LYS 75 -1.646 1.944 10.589 490 HG2 LYS 75 HG2 LYS 75 -0.991 -0.172 10.713 491 HG3 LYS 75 HG1 LYS 75 -0.490 -0.190 9.021 492 HD2 LYS 75 HD2 LYS 75 1.676 0.330 9.515 493 HD3 LYS 75 HD1 LYS 75 1.238 1.260 10.950 494 HE2 LYS 75 HE2 LYS 75 0.979 -0.675 12.257 495 HE3 LYS 75 HE1 LYS 75 0.929 -1.725 10.841 496 HZ1 LYS 75 HZ1 LYS 75 3.251 -0.438 12.111 497 HZ2 LYS 75 HZ2 LYS 75 3.313 -0.847 10.471 498 HZ3 LYS 75 HZ3 LYS 75 3.050 -2.048 11.632 499 H SER 76 HN SER 76 -1.637 -0.110 6.957 500 HA SER 76 HA SER 76 0.279 0.971 5.054 501 HB2 SER 76 HB2 SER 76 1.924 -0.669 5.328 502 HB3 SER 76 HB1 SER 76 1.471 -0.288 6.989 503 HG SER 76 HG SER 76 1.065 -2.335 7.158 504 H SER 77 HN SER 77 0.688 -0.747 3.282 505 HA SER 77 HA SER 77 -1.927 -1.672 2.407 506 HB2 SER 77 HB2 SER 77 0.229 -0.548 1.085 507 HB3 SER 77 HB1 SER 77 0.326 -2.250 0.632 508 HG SER 77 HG SER 77 -1.135 -0.614 -0.562 509 H ASP 78 HN ASP 78 0.063 -2.996 4.463 510 HA ASP 78 HA ASP 78 0.093 -5.667 3.238 511 HB2 ASP 78 HB2 ASP 78 1.812 -4.302 5.244 512 HB3 ASP 78 HB1 ASP 78 1.566 -6.035 5.441 513 H CYS 79 HN CYS 79 -0.602 -7.476 4.442 514 HA CYS 79 HA CYS 79 -2.412 -6.856 6.687 515 HB2 CYS 79 HB2 CYS 79 -3.438 -7.450 4.351 516 HB3 CYS 79 HB1 CYS 79 -2.982 -9.096 4.773 517 HA PRO 80 HA PRO 80 0.476 -9.984 8.322 518 HB2 PRO 80 HB2 PRO 80 0.133 -9.365 10.923 519 HB3 PRO 80 HB1 PRO 80 1.152 -8.397 9.851 520 HG2 PRO 80 HG2 PRO 80 -1.665 -7.902 10.742 521 HG3 PRO 80 HG1 PRO 80 -0.313 -6.761 10.627 522 HD2 PRO 80 HD2 PRO 80 -2.252 -6.951 8.731 523 HD3 PRO 80 HD1 PRO 80 -0.584 -6.473 8.361 524 H TRP 81 HN TRP 81 -0.008 -12.038 8.732 525 HA TRP 81 HA TRP 81 -2.471 -13.200 8.793 526 HB2 TRP 81 HB2 TRP 81 -0.624 -14.553 10.637 527 HB3 TRP 81 HB1 TRP 81 -1.408 -15.156 9.186 528 HD1 TRP 81 HD1 TRP 81 1.759 -13.273 10.301 529 HE1 TRP 81 HE1 TRP 81 3.541 -13.561 8.465 530 HE3 TRP 81 HE3 TRP 81 -1.091 -15.622 6.801 531 HZ2 TRP 81 HZ2 TRP 81 3.706 -14.651 5.868 532 HZ3 TRP 81 HZ3 TRP 81 -0.056 -16.263 4.655 533 HH2 TRP 81 HH2 TRP 81 2.298 -15.784 4.200 534 H ASN 82 HN ASN 82 -0.799 -11.715 11.437 535 HA ASN 82 HA ASN 82 -1.730 -10.815 13.374 536 HB2 ASN 82 HB2 ASN 82 -4.042 -11.310 12.364 537 HB3 ASN 82 HB1 ASN 82 -3.961 -12.842 13.233 538 HD21 ASN 82 HD21 ASN 82 -4.593 -9.504 13.428 539 HD22 ASN 82 HD22 ASN 82 -4.918 -9.425 15.123 540 H HIS 83 HN HIS 83 0.016 -13.152 12.802 541 HA HIS 83 HA HIS 83 -0.361 -14.710 15.262 542 HB2 HIS 83 HB2 HIS 83 1.322 -15.326 12.821 543 HB3 HIS 83 HB1 HIS 83 1.108 -16.380 14.218 544 HD1 HIS 83 HD1 HIS 83 -0.018 -18.263 12.905 545 HD2 HIS 83 HD2 HIS 83 -1.968 -14.614 12.558 546 HE1 HIS 83 HE1 HIS 83 -2.224 -18.768 11.810 547 HE2 HIS 83 HE2 HIS 83 -3.422 -16.564 11.701 Start of MODEL 2 1 H1 SER 1 HT1 SER 1 12.011 -0.535 -11.806 2 H2 SER 1 HT2 SER 1 10.966 -1.408 -12.849 3 H3 SER 1 HT3 SER 1 12.624 -1.226 -13.249 4 HA SER 1 HA SER 1 11.315 -3.102 -11.550 5 HB2 SER 1 HB2 SER 1 13.701 -2.846 -13.295 6 HB3 SER 1 HB1 SER 1 13.824 -4.016 -11.982 7 HG SER 1 HG SER 1 12.629 -4.343 -14.289 8 HA PRO 2 HA PRO 2 14.956 -2.162 -8.573 9 HB2 PRO 2 HB2 PRO 2 16.640 -0.124 -9.111 10 HB3 PRO 2 HB1 PRO 2 16.872 -1.741 -9.786 11 HG2 PRO 2 HG2 PRO 2 15.677 0.690 -11.060 12 HG3 PRO 2 HG1 PRO 2 16.811 -0.489 -11.744 13 HD2 PRO 2 HD2 PRO 2 14.133 -0.530 -12.240 14 HD3 PRO 2 HD1 PRO 2 15.144 -1.989 -12.241 15 HA PRO 3 HA PRO 3 13.210 1.257 -6.362 16 HB2 PRO 3 HB2 PRO 3 15.509 1.802 -4.735 17 HB3 PRO 3 HB1 PRO 3 14.105 0.812 -4.335 18 HG2 PRO 3 HG2 PRO 3 16.654 -0.169 -4.689 19 HG3 PRO 3 HG1 PRO 3 15.174 -1.128 -4.866 20 HD2 PRO 3 HD2 PRO 3 16.870 0.152 -6.975 21 HD3 PRO 3 HD1 PRO 3 16.075 -1.439 -6.980 22 H VAL 4 HN VAL 4 13.142 2.782 -8.133 23 HA VAL 4 HA VAL 4 15.193 4.886 -7.884 24 HB VAL 4 HB VAL 4 13.764 5.064 -10.379 25 HG11 VAL 4 HG11 VAL 4 16.147 4.888 -11.245 26 HG12 VAL 4 HG12 VAL 4 16.634 4.774 -9.553 27 HG13 VAL 4 HG13 VAL 4 15.795 6.212 -10.134 28 HG21 VAL 4 HG21 VAL 4 13.577 2.593 -10.063 29 HG22 VAL 4 HG22 VAL 4 15.339 2.517 -10.040 30 HG23 VAL 4 HG23 VAL 4 14.499 3.074 -11.488 31 H CYS 5 HN CYS 5 14.380 6.534 -6.802 32 HA CYS 5 HA CYS 5 11.542 7.077 -6.784 33 HB2 CYS 5 HB2 CYS 5 13.792 7.724 -5.133 34 HB3 CYS 5 HB1 CYS 5 13.036 9.232 -5.633 35 H GLY 6 HN GLY 6 10.714 7.976 -8.560 36 HA2 GLY 6 HA2 GLY 6 10.390 10.085 -9.742 37 HA3 GLY 6 HA1 GLY 6 12.141 10.278 -9.732 38 H ASN 7 HN ASN 7 10.645 7.213 -10.311 39 HA ASN 7 HA ASN 7 11.265 7.387 -13.181 40 HB2 ASN 7 HB2 ASN 7 12.101 5.350 -11.144 41 HB3 ASN 7 HB1 ASN 7 11.806 4.829 -12.802 42 HD21 ASN 7 HD21 ASN 7 13.331 5.153 -14.296 43 HD22 ASN 7 HD22 ASN 7 14.802 6.021 -14.037 44 H LYS 8 HN LYS 8 8.886 7.194 -11.047 45 HA LYS 8 HA LYS 8 6.717 6.584 -11.166 46 HB2 LYS 8 HB2 LYS 8 7.338 6.867 -13.771 47 HB3 LYS 8 HB1 LYS 8 6.969 5.148 -13.749 48 HG2 LYS 8 HG2 LYS 8 4.760 5.586 -12.892 49 HG3 LYS 8 HG1 LYS 8 5.123 7.307 -12.753 50 HD2 LYS 8 HD2 LYS 8 5.291 5.849 -15.376 51 HD3 LYS 8 HD1 LYS 8 3.781 6.551 -14.792 52 HE2 LYS 8 HE2 LYS 8 6.173 8.293 -14.748 53 HE3 LYS 8 HE1 LYS 8 5.517 7.885 -16.333 54 HZ1 LYS 8 HZ1 LYS 8 4.643 9.956 -15.100 55 HZ2 LYS 8 HZ2 LYS 8 3.728 8.852 -14.203 56 HZ3 LYS 8 HZ3 LYS 8 3.535 8.942 -15.881 57 H ILE 9 HN ILE 9 9.054 4.785 -10.379 58 HA ILE 9 HA ILE 9 7.584 2.237 -10.443 59 HB ILE 9 HB ILE 9 10.312 1.869 -9.628 60 HG12 ILE 9 HG12 ILE 9 9.975 3.185 -12.333 61 HG13 ILE 9 HG11 ILE 9 10.787 3.892 -10.939 62 HG21 ILE 9 HG21 ILE 9 10.115 0.563 -11.967 63 HG22 ILE 9 HG22 ILE 9 8.407 0.797 -11.597 64 HG23 ILE 9 HG23 ILE 9 9.452 -0.037 -10.447 65 HD11 ILE 9 HD11 ILE 9 12.595 3.105 -12.040 66 HD12 ILE 9 HD12 ILE 9 11.700 1.794 -12.807 67 HD13 ILE 9 HD13 ILE 9 12.198 1.654 -11.121 68 H LEU 10 HN LEU 10 6.566 2.000 -8.573 69 HA LEU 10 HA LEU 10 7.386 3.249 -6.149 70 HB2 LEU 10 HB2 LEU 10 5.663 0.928 -5.763 71 HB3 LEU 10 HB1 LEU 10 5.383 2.608 -5.357 72 HG LEU 10 HG LEU 10 4.890 2.866 -7.911 73 HD11 LEU 10 HD11 LEU 10 4.416 1.018 -9.137 74 HD12 LEU 10 HD12 LEU 10 3.919 0.074 -7.732 75 HD13 LEU 10 HD13 LEU 10 5.634 0.318 -8.070 76 HD21 LEU 10 HD21 LEU 10 3.041 3.340 -6.715 77 HD22 LEU 10 HD22 LEU 10 3.225 1.932 -5.669 78 HD23 LEU 10 HD23 LEU 10 2.521 1.751 -7.275 79 H GLU 11 HN GLU 11 9.650 2.377 -6.528 80 HA GLU 11 HA GLU 11 9.921 -0.195 -5.120 81 HB2 GLU 11 HB2 GLU 11 11.585 0.879 -7.395 82 HB3 GLU 11 HB1 GLU 11 12.001 -0.547 -6.454 83 HG2 GLU 11 HG2 GLU 11 9.318 -0.453 -7.701 84 HG3 GLU 11 HG1 GLU 11 10.710 -0.688 -8.756 85 H GLN 12 HN GLN 12 11.465 2.918 -5.873 86 HA GLN 12 HA GLN 12 13.510 2.661 -3.912 87 HB2 GLN 12 HB2 GLN 12 13.291 4.276 -5.954 88 HB3 GLN 12 HB1 GLN 12 12.481 5.326 -4.804 89 HG2 GLN 12 HG2 GLN 12 15.282 4.250 -4.592 90 HG3 GLN 12 HG1 GLN 12 14.811 5.909 -4.956 91 HE21 GLN 12 HE21 GLN 12 14.539 7.285 -3.325 92 HE22 GLN 12 HE22 GLN 12 14.529 6.860 -1.651 93 H GLY 13 HN GLY 13 11.717 1.821 -2.325 94 HA2 GLY 13 HA2 GLY 13 10.298 2.177 -0.519 95 HA3 GLY 13 HA1 GLY 13 11.663 3.162 -0.026 96 H GLU 14 HN GLU 14 9.367 3.804 -2.641 97 HA GLU 14 HA GLU 14 8.762 6.362 -1.365 98 HB2 GLU 14 HB2 GLU 14 7.829 7.014 -3.558 99 HB3 GLU 14 HB1 GLU 14 9.512 6.527 -3.651 100 HG2 GLU 14 HG2 GLU 14 7.319 4.588 -4.262 101 HG3 GLU 14 HG1 GLU 14 7.887 5.731 -5.466 102 H ASP 15 HN ASP 15 7.097 3.576 -2.781 103 HA ASP 15 HA ASP 15 5.049 2.670 -2.358 104 HB2 ASP 15 HB2 ASP 15 4.678 4.720 -0.171 105 HB3 ASP 15 HB1 ASP 15 3.895 3.150 -0.326 106 H CYS 16 HN CYS 16 5.631 5.423 -3.774 107 HA CYS 16 HA CYS 16 3.396 5.728 -5.241 108 HB2 CYS 16 HB2 CYS 16 2.939 6.787 -2.566 109 HB3 CYS 16 HB1 CYS 16 2.682 7.998 -3.816 110 H ASP 17 HN ASP 17 5.124 6.228 -6.632 111 HA ASP 17 HA ASP 17 5.949 9.042 -6.472 112 HB2 ASP 17 HB2 ASP 17 7.862 7.742 -5.740 113 HB3 ASP 17 HB1 ASP 17 7.731 6.695 -7.150 114 H CYS 18 HN CYS 18 6.644 9.938 -8.514 115 HA CYS 18 HA CYS 18 5.391 8.629 -10.837 116 HB2 CYS 18 HB2 CYS 18 5.363 11.530 -10.012 117 HB3 CYS 18 HB1 CYS 18 5.008 11.017 -11.655 118 H GLY 19 HN GLY 19 6.495 8.763 -12.797 119 HA2 GLY 19 HA2 GLY 19 9.246 8.760 -12.816 120 HA3 GLY 19 HA1 GLY 19 8.265 9.108 -14.233 121 H SER 20 HN SER 20 7.123 11.501 -13.596 122 HA SER 20 HA SER 20 9.321 13.312 -12.918 123 HB2 SER 20 HB2 SER 20 8.842 12.855 -15.515 124 HB3 SER 20 HB1 SER 20 7.627 14.102 -15.232 125 HG SER 20 HG SER 20 9.154 15.541 -15.076 126 HA PRO 21 HA PRO 21 6.154 15.030 -10.259 127 HB2 PRO 21 HB2 PRO 21 7.774 17.483 -10.810 128 HB3 PRO 21 HB1 PRO 21 7.160 16.865 -9.272 129 HG2 PRO 21 HG2 PRO 21 9.717 16.543 -9.947 130 HG3 PRO 21 HG1 PRO 21 8.827 15.269 -9.093 131 HD2 PRO 21 HD2 PRO 21 9.693 15.395 -11.930 132 HD3 PRO 21 HD1 PRO 21 9.445 13.985 -10.882 133 H ALA 22 HN ALA 22 7.113 16.408 -13.346 134 HA ALA 22 HA ALA 22 4.768 18.100 -13.510 135 HB1 ALA 22 HB1 ALA 22 5.645 18.834 -15.619 136 HB2 ALA 22 HB2 ALA 22 6.801 17.502 -15.654 137 HB3 ALA 22 HB3 ALA 22 6.967 18.782 -14.453 138 H ASN 23 HN ASN 23 5.811 14.967 -14.599 139 HA ASN 23 HA ASN 23 3.354 14.679 -16.187 140 HB2 ASN 23 HB2 ASN 23 6.056 13.404 -16.346 141 HB3 ASN 23 HB1 ASN 23 4.655 12.504 -16.921 142 HD21 ASN 23 HD21 ASN 23 5.762 15.874 -17.104 143 HD22 ASN 23 HD22 ASN 23 5.558 16.024 -18.813 144 H CYS 24 HN CYS 24 3.757 14.469 -13.209 145 HA CYS 24 HA CYS 24 3.561 11.782 -12.417 146 HB2 CYS 24 HB2 CYS 24 4.142 13.622 -10.884 147 HB3 CYS 24 HB1 CYS 24 2.503 14.246 -11.025 148 H GLN 25 HN GLN 25 2.095 10.841 -13.879 149 HA GLN 25 HA GLN 25 -0.665 11.706 -13.886 150 HB2 GLN 25 HB2 GLN 25 -1.029 9.894 -15.469 151 HB3 GLN 25 HB1 GLN 25 0.384 10.832 -15.935 152 HG2 GLN 25 HG2 GLN 25 1.735 9.047 -14.687 153 HG3 GLN 25 HG1 GLN 25 0.260 8.083 -14.757 154 HE21 GLN 25 HE21 GLN 25 1.347 6.556 -16.047 155 HE22 GLN 25 HE22 GLN 25 1.638 6.845 -17.726 156 H ASP 26 HN ASP 26 -0.054 11.165 -11.319 157 HA ASP 26 HA ASP 26 -1.759 8.877 -10.758 158 HB2 ASP 26 HB2 ASP 26 0.865 8.374 -10.677 159 HB3 ASP 26 HB1 ASP 26 0.689 9.079 -9.072 160 H ARG 27 HN ARG 27 -3.328 10.203 -9.951 161 HA ARG 27 HA ARG 27 -2.882 12.410 -8.265 162 HB2 ARG 27 HB2 ARG 27 -5.264 12.401 -7.889 163 HB3 ARG 27 HB1 ARG 27 -4.946 12.030 -9.578 164 HG2 ARG 27 HG2 ARG 27 -5.359 9.683 -9.180 165 HG3 ARG 27 HG1 ARG 27 -5.572 9.988 -7.455 166 HD2 ARG 27 HD2 ARG 27 -7.516 11.379 -7.930 167 HD3 ARG 27 HD1 ARG 27 -7.290 11.124 -9.659 168 HE ARG 27 HE ARG 27 -8.513 9.328 -7.794 169 HH11 ARG 27 HH11 ARG 27 -6.758 9.521 -10.805 170 HH12 ARG 27 HH12 ARG 27 -7.381 8.023 -11.408 171 HH21 ARG 27 HH21 ARG 27 -9.333 7.357 -8.586 172 HH22 ARG 27 HH22 ARG 27 -8.844 6.794 -10.149 173 H CYS 28 HN CYS 28 -2.859 9.041 -7.620 174 HA CYS 28 HA CYS 28 -3.274 9.461 -4.756 175 HB2 CYS 28 HB2 CYS 28 -4.178 7.475 -6.345 176 HB3 CYS 28 HB1 CYS 28 -2.682 6.744 -5.773 177 H CYS 29 HN CYS 29 -0.735 9.351 -6.960 178 HA CYS 29 HA CYS 29 1.175 8.874 -4.777 179 HB2 CYS 29 HB2 CYS 29 1.406 7.807 -7.598 180 HB3 CYS 29 HB1 CYS 29 2.673 7.718 -6.382 181 H ASN 30 HN ASN 30 2.616 10.471 -4.558 182 HA ASN 30 HA ASN 30 2.929 12.359 -6.799 183 HB2 ASN 30 HB2 ASN 30 1.863 13.361 -4.841 184 HB3 ASN 30 HB1 ASN 30 3.213 12.860 -3.830 185 HD21 ASN 30 HD21 ASN 30 4.373 14.555 -3.299 186 HD22 ASN 30 HD22 ASN 30 4.829 15.850 -4.348 187 H ALA 31 HN ALA 31 4.862 12.698 -7.647 188 HA ALA 31 HA ALA 31 7.092 11.079 -6.902 189 HB1 ALA 31 HB1 ALA 31 8.218 12.728 -8.632 190 HB2 ALA 31 HB2 ALA 31 6.537 13.127 -8.988 191 HB3 ALA 31 HB3 ALA 31 7.105 11.470 -9.159 192 H ALA 32 HN ALA 32 6.328 14.518 -6.658 193 HA ALA 32 HA ALA 32 8.747 15.488 -5.720 194 HB1 ALA 32 HB1 ALA 32 6.169 16.490 -6.090 195 HB2 ALA 32 HB2 ALA 32 7.623 17.400 -5.684 196 HB3 ALA 32 HB3 ALA 32 6.562 16.816 -4.403 197 H THR 33 HN THR 33 6.581 13.370 -4.129 198 HA THR 33 HA THR 33 7.967 13.861 -1.575 199 HB THR 33 HB THR 33 5.517 14.431 -1.578 200 HG1 THR 33 HG1 THR 33 6.498 12.373 0.087 201 HG21 THR 33 HG21 THR 33 4.941 11.505 -1.561 202 HG22 THR 33 HG22 THR 33 4.957 12.399 -3.079 203 HG23 THR 33 HG23 THR 33 3.842 12.864 -1.794 204 H CYS 34 HN CYS 34 7.070 11.601 -4.017 205 HA CYS 34 HA CYS 34 7.535 9.403 -4.330 206 HB2 CYS 34 HB2 CYS 34 9.629 10.270 -2.399 207 HB3 CYS 34 HB1 CYS 34 9.377 8.536 -2.566 208 H LYS 35 HN LYS 35 5.343 10.111 -2.830 209 HA LYS 35 HA LYS 35 4.850 7.691 -1.379 210 HB2 LYS 35 HB2 LYS 35 4.896 8.380 0.786 211 HB3 LYS 35 HB1 LYS 35 6.077 9.516 0.156 212 HG2 LYS 35 HG2 LYS 35 4.839 11.074 1.150 213 HG3 LYS 35 HG1 LYS 35 3.730 10.877 -0.206 214 HD2 LYS 35 HD2 LYS 35 2.343 10.659 1.647 215 HD3 LYS 35 HD1 LYS 35 2.694 8.984 1.216 216 HE2 LYS 35 HE2 LYS 35 4.608 9.134 2.896 217 HE3 LYS 35 HE1 LYS 35 3.844 10.621 3.458 218 HZ1 LYS 35 HZ1 LYS 35 1.757 9.166 3.653 219 HZ2 LYS 35 HZ2 LYS 35 2.959 9.004 4.832 220 HZ3 LYS 35 HZ3 LYS 35 2.827 7.856 3.596 221 H LEU 36 HN LEU 36 2.597 7.767 -0.352 222 HA LEU 36 HA LEU 36 0.715 8.382 -2.309 223 HB2 LEU 36 HB2 LEU 36 0.324 7.988 0.657 224 HB3 LEU 36 HB1 LEU 36 -0.975 8.014 -0.520 225 HG LEU 36 HG LEU 36 1.171 6.075 -1.088 226 HD11 LEU 36 HD11 LEU 36 -0.346 6.056 1.462 227 HD12 LEU 36 HD12 LEU 36 1.273 5.456 1.099 228 HD13 LEU 36 HD13 LEU 36 -0.143 4.525 0.610 229 HD21 LEU 36 HD21 LEU 36 -1.056 6.408 -2.291 230 HD22 LEU 36 HD22 LEU 36 -1.790 5.624 -0.893 231 HD23 LEU 36 HD23 LEU 36 -0.602 4.757 -1.867 232 H THR 37 HN THR 37 -0.440 10.143 -2.815 233 HA THR 37 HA THR 37 0.282 12.685 -1.914 234 HB THR 37 HB THR 37 -1.814 13.445 -3.066 235 HG1 THR 37 HG1 THR 37 -2.162 10.696 -3.644 236 HG21 THR 37 HG21 THR 37 -1.043 11.777 -5.188 237 HG22 THR 37 HG22 THR 37 0.411 12.119 -4.251 238 HG23 THR 37 HG23 THR 37 -0.564 13.446 -4.882 239 HA PRO 38 HA PRO 38 -1.857 13.443 1.854 240 HB2 PRO 38 HB2 PRO 38 -2.977 15.922 1.365 241 HB3 PRO 38 HB1 PRO 38 -1.305 15.654 1.864 242 HG2 PRO 38 HG2 PRO 38 -2.416 16.132 -0.870 243 HG3 PRO 38 HG1 PRO 38 -0.925 16.757 -0.138 244 HD2 PRO 38 HD2 PRO 38 -0.879 14.728 -1.890 245 HD3 PRO 38 HD1 PRO 38 0.230 14.778 -0.503 246 H GLY 39 HN GLY 39 -3.611 12.278 2.324 247 HA2 GLY 39 HA2 GLY 39 -6.064 12.521 2.575 248 HA3 GLY 39 HA1 GLY 39 -6.106 12.882 0.856 249 H SER 40 HN SER 40 -4.048 10.782 0.332 250 HA SER 40 HA SER 40 -5.877 8.483 0.460 251 HB2 SER 40 HB2 SER 40 -3.711 9.242 -1.495 252 HB3 SER 40 HB1 SER 40 -4.372 7.609 -1.425 253 HG SER 40 HG SER 40 -5.377 9.197 -2.931 254 H GLN 41 HN GLN 41 -5.276 6.618 1.415 255 HA GLN 41 HA GLN 41 -2.571 6.520 2.576 256 HB2 GLN 41 HB2 GLN 41 -5.243 5.679 3.618 257 HB3 GLN 41 HB1 GLN 41 -3.809 4.816 4.158 258 HG2 GLN 41 HG2 GLN 41 -4.335 7.766 4.437 259 HG3 GLN 41 HG1 GLN 41 -4.379 6.560 5.722 260 HE21 GLN 41 HE21 GLN 41 -2.185 5.116 5.414 261 HE22 GLN 41 HE22 GLN 41 -0.760 6.087 5.527 262 H CYS 42 HN CYS 42 -3.818 5.433 -0.054 263 HA CYS 42 HA CYS 42 -2.323 2.975 -0.030 264 HB2 CYS 42 HB2 CYS 42 -3.946 1.441 0.035 265 HB3 CYS 42 HB1 CYS 42 -4.923 2.707 0.758 266 H ASN 43 HN ASN 43 -2.606 1.839 -2.190 267 HA ASN 43 HA ASN 43 -3.574 3.074 -4.477 268 HB2 ASN 43 HB2 ASN 43 -1.965 4.853 -4.061 269 HB3 ASN 43 HB1 ASN 43 -0.655 3.679 -3.946 270 HD21 ASN 43 HD21 ASN 43 0.283 2.921 -5.772 271 HD22 ASN 43 HD22 ASN 43 -0.128 3.454 -7.363 272 H TYR 44 HN TYR 44 -1.163 1.075 -2.959 273 HA TYR 44 HA TYR 44 -1.705 -1.057 -4.825 274 HB2 TYR 44 HB2 TYR 44 0.226 -1.045 -5.976 275 HB3 TYR 44 HB1 TYR 44 0.498 0.567 -5.331 276 HD1 TYR 44 HD2 TYR 44 1.065 -3.023 -4.502 277 HD2 TYR 44 HD1 TYR 44 2.427 0.987 -4.107 278 HE1 TYR 44 HE2 TYR 44 3.091 -3.831 -3.380 279 HE2 TYR 44 HE1 TYR 44 4.465 0.192 -2.987 280 HH TYR 44 HH TYR 44 5.259 -1.735 -1.757 281 H GLY 45 HN GLY 45 -1.966 -2.841 -3.641 282 HA2 GLY 45 HA2 GLY 45 -0.537 -4.253 -2.005 283 HA3 GLY 45 HA1 GLY 45 -0.817 -2.887 -0.936 284 H GLU 46 HN GLU 46 -1.571 -5.477 -0.284 285 HA GLU 46 HA GLU 46 -4.192 -6.212 -0.893 286 HB2 GLU 46 HB2 GLU 46 -2.243 -6.814 1.248 287 HB3 GLU 46 HB1 GLU 46 -3.926 -7.142 1.632 288 HG2 GLU 46 HG2 GLU 46 -2.705 -9.090 0.730 289 HG3 GLU 46 HG1 GLU 46 -4.128 -8.645 -0.211 290 H CYS 47 HN CYS 47 -2.965 -4.229 1.776 291 HA CYS 47 HA CYS 47 -5.492 -3.818 2.992 292 HB2 CYS 47 HB2 CYS 47 -2.746 -2.774 3.318 293 HB3 CYS 47 HB1 CYS 47 -4.040 -1.751 3.927 294 H CYS 48 HN CYS 48 -4.011 -2.367 0.247 295 HA CYS 48 HA CYS 48 -5.185 0.186 0.414 296 HB2 CYS 48 HB2 CYS 48 -3.323 -0.116 -1.045 297 HB3 CYS 48 HB1 CYS 48 -4.129 -1.421 -1.908 298 H ASP 49 HN ASP 49 -7.148 0.893 0.023 299 HA ASP 49 HA ASP 49 -8.920 -0.435 -1.827 300 HB2 ASP 49 HB2 ASP 49 -9.089 -1.330 0.727 301 HB3 ASP 49 HB1 ASP 49 -10.208 0.028 0.799 302 H GLN 50 HN GLN 50 -9.504 1.240 -3.038 303 HA GLN 50 HA GLN 50 -10.350 3.248 -3.684 304 HB2 GLN 50 HB2 GLN 50 -11.492 2.900 -0.964 305 HB3 GLN 50 HB1 GLN 50 -11.571 4.512 -1.661 306 HG2 GLN 50 HG2 GLN 50 -12.482 2.170 -3.263 307 HG3 GLN 50 HG1 GLN 50 -13.523 2.829 -2.002 308 HE21 GLN 50 HE21 GLN 50 -14.768 4.500 -2.497 309 HE22 GLN 50 HE22 GLN 50 -14.627 5.475 -3.915 310 H CYS 51 HN CYS 51 -7.679 3.197 -3.057 311 HA CYS 51 HA CYS 51 -5.894 4.549 -2.666 312 HB2 CYS 51 HB2 CYS 51 -8.100 6.420 -3.229 313 HB3 CYS 51 HB1 CYS 51 -6.733 7.118 -2.367 314 H ARG 52 HN ARG 52 -7.679 3.510 -0.416 315 HA ARG 52 HA ARG 52 -6.294 4.948 1.709 316 HB2 ARG 52 HB2 ARG 52 -8.850 5.659 1.211 317 HB3 ARG 52 HB1 ARG 52 -9.126 4.305 2.297 318 HG2 ARG 52 HG2 ARG 52 -7.272 5.586 3.715 319 HG3 ARG 52 HG1 ARG 52 -7.941 6.960 2.832 320 HD2 ARG 52 HD2 ARG 52 -10.159 6.448 3.639 321 HD3 ARG 52 HD1 ARG 52 -9.569 4.984 4.424 322 HE ARG 52 HE ARG 52 -8.183 7.271 5.370 323 HH11 ARG 52 HH11 ARG 52 -11.230 5.590 5.631 324 HH12 ARG 52 HH12 ARG 52 -11.559 6.176 7.227 325 HH21 ARG 52 HH21 ARG 52 -8.614 8.043 7.469 326 HH22 ARG 52 HH22 ARG 52 -10.075 7.569 8.270 327 H PHE 53 HN PHE 53 -5.543 3.592 3.250 328 HA PHE 53 HA PHE 53 -5.536 0.842 2.884 329 HB2 PHE 53 HB2 PHE 53 -4.978 2.515 5.327 330 HB3 PHE 53 HB1 PHE 53 -4.820 0.760 5.345 331 HD1 PHE 53 HD2 PHE 53 -3.761 0.460 2.519 332 HD2 PHE 53 HD1 PHE 53 -2.728 3.090 5.698 333 HE1 PHE 53 HE2 PHE 53 -1.498 0.656 1.608 334 HE2 PHE 53 HE1 PHE 53 -0.449 3.294 4.788 335 HZ PHE 53 HZ PHE 53 0.171 2.075 2.739 336 H LYS 54 HN LYS 54 -6.522 -0.878 3.939 337 HA LYS 54 HA LYS 54 -9.299 -0.476 4.497 338 HB2 LYS 54 HB2 LYS 54 -7.454 -2.795 4.322 339 HB3 LYS 54 HB1 LYS 54 -8.899 -3.011 5.300 340 HG2 LYS 54 HG2 LYS 54 -10.252 -3.077 3.516 341 HG3 LYS 54 HG1 LYS 54 -9.374 -1.799 2.674 342 HD2 LYS 54 HD2 LYS 54 -7.563 -3.509 2.236 343 HD3 LYS 54 HD1 LYS 54 -8.695 -4.729 2.822 344 HE2 LYS 54 HE2 LYS 54 -10.246 -3.410 1.038 345 HE3 LYS 54 HE1 LYS 54 -8.661 -3.232 0.288 346 HZ1 LYS 54 HZ1 LYS 54 -8.499 -5.440 -0.112 347 HZ2 LYS 54 HZ2 LYS 54 -10.186 -5.330 -0.128 348 HZ3 LYS 54 HZ3 LYS 54 -9.389 -5.887 1.256 349 H LYS 55 HN LYS 55 -10.088 0.230 6.368 350 HA LYS 55 HA LYS 55 -8.793 0.857 8.647 351 HB2 LYS 55 HB2 LYS 55 -11.162 1.370 8.230 352 HB3 LYS 55 HB1 LYS 55 -11.578 -0.313 8.520 353 HG2 LYS 55 HG2 LYS 55 -11.401 -0.115 10.764 354 HG3 LYS 55 HG1 LYS 55 -10.093 1.066 10.668 355 HD2 LYS 55 HD2 LYS 55 -12.741 1.937 9.678 356 HD3 LYS 55 HD1 LYS 55 -12.589 1.696 11.420 357 HE2 LYS 55 HE2 LYS 55 -10.807 3.268 11.561 358 HE3 LYS 55 HE1 LYS 55 -10.665 3.357 9.806 359 HZ1 LYS 55 HZ1 LYS 55 -13.120 4.174 11.249 360 HZ2 LYS 55 HZ2 LYS 55 -12.693 4.512 9.648 361 HZ3 LYS 55 HZ3 LYS 55 -11.857 5.251 10.919 362 H ALA 56 HN ALA 56 -7.693 -0.170 10.178 363 HA ALA 56 HA ALA 56 -6.931 -2.742 10.237 364 HB1 ALA 56 HB1 ALA 56 -7.360 -0.801 12.456 365 HB2 ALA 56 HB2 ALA 56 -5.860 -1.491 11.833 366 HB3 ALA 56 HB3 ALA 56 -6.929 -2.468 12.841 367 H GLY 57 HN GLY 57 -7.813 -4.674 10.533 368 HA2 GLY 57 HA2 GLY 57 -9.307 -6.070 11.927 369 HA3 GLY 57 HA1 GLY 57 -10.492 -4.776 11.794 370 H THR 58 HN THR 58 -9.254 -4.621 8.885 371 HA THR 58 HA THR 58 -11.346 -6.193 7.679 372 HB THR 58 HB THR 58 -9.092 -4.611 6.415 373 HG1 THR 58 HG1 THR 58 -11.808 -3.890 6.807 374 HG21 THR 58 HG21 THR 58 -11.543 -4.877 4.896 375 HG22 THR 58 HG22 THR 58 -10.738 -6.423 5.171 376 HG23 THR 58 HG23 THR 58 -9.865 -5.096 4.399 377 H VAL 59 HN VAL 59 -11.033 -8.364 7.668 378 HA VAL 59 HA VAL 59 -8.522 -9.623 7.656 379 HB VAL 59 HB VAL 59 -10.530 -10.794 8.420 380 HG11 VAL 59 HG11 VAL 59 -11.932 -9.756 6.510 381 HG12 VAL 59 HG12 VAL 59 -12.327 -11.378 7.079 382 HG13 VAL 59 HG13 VAL 59 -11.412 -11.165 5.587 383 HG21 VAL 59 HG21 VAL 59 -8.697 -12.190 7.783 384 HG22 VAL 59 HG22 VAL 59 -9.137 -12.079 6.079 385 HG23 VAL 59 HG23 VAL 59 -10.182 -12.946 7.204 386 H CYS 60 HN CYS 60 -7.084 -9.852 6.070 387 HA CYS 60 HA CYS 60 -8.062 -9.723 3.286 388 HB2 CYS 60 HB2 CYS 60 -5.213 -9.144 3.645 389 HB3 CYS 60 HB1 CYS 60 -6.426 -8.293 2.698 390 H ARG 61 HN ARG 61 -6.437 -11.623 5.600 391 HA ARG 61 HA ARG 61 -5.992 -13.696 3.626 392 HB2 ARG 61 HB2 ARG 61 -3.829 -12.082 4.702 393 HB3 ARG 61 HB1 ARG 61 -3.600 -13.791 5.046 394 HG2 ARG 61 HG2 ARG 61 -3.192 -14.303 2.899 395 HG3 ARG 61 HG1 ARG 61 -4.399 -13.170 2.288 396 HD2 ARG 61 HD2 ARG 61 -1.971 -12.660 1.741 397 HD3 ARG 61 HD1 ARG 61 -2.920 -11.348 2.438 398 HE ARG 61 HE ARG 61 -1.642 -12.705 4.521 399 HH11 ARG 61 HH11 ARG 61 -0.824 -10.703 1.783 400 HH12 ARG 61 HH12 ARG 61 0.607 -10.065 2.519 401 HH21 ARG 61 HH21 ARG 61 0.236 -11.867 5.492 402 HH22 ARG 61 HH22 ARG 61 1.210 -10.726 4.626 403 H ILE 62 HN ILE 62 -5.367 -15.763 4.609 404 HA ILE 62 HA ILE 62 -5.673 -16.086 7.460 405 HB ILE 62 HB ILE 62 -7.597 -17.679 5.799 406 HG12 ILE 62 HG12 ILE 62 -9.385 -16.051 6.595 407 HG13 ILE 62 HG11 ILE 62 -8.079 -14.928 6.948 408 HG21 ILE 62 HG21 ILE 62 -6.812 -17.931 8.353 409 HG22 ILE 62 HG22 ILE 62 -8.406 -18.411 7.771 410 HG23 ILE 62 HG23 ILE 62 -8.190 -16.850 8.564 411 HD11 ILE 62 HD11 ILE 62 -8.200 -14.222 4.863 412 HD12 ILE 62 HD12 ILE 62 -9.384 -15.470 4.469 413 HD13 ILE 62 HD13 ILE 62 -7.659 -15.812 4.326 414 H ALA 63 HN ALA 63 -4.250 -17.589 8.020 415 HA ALA 63 HA ALA 63 -2.624 -19.001 6.341 416 HB1 ALA 63 HB1 ALA 63 -2.969 -20.621 8.639 417 HB2 ALA 63 HB2 ALA 63 -3.102 -18.933 9.132 418 HB3 ALA 63 HB3 ALA 63 -1.667 -19.490 8.272 419 H ARG 64 HN ARG 64 -5.183 -20.638 8.198 420 HA ARG 64 HA ARG 64 -6.429 -21.888 6.038 421 HB2 ARG 64 HB2 ARG 64 -3.950 -22.935 6.224 422 HB3 ARG 64 HB1 ARG 64 -4.805 -24.003 7.327 423 HG2 ARG 64 HG2 ARG 64 -4.836 -25.030 5.197 424 HG3 ARG 64 HG1 ARG 64 -6.464 -24.417 5.495 425 HD2 ARG 64 HD2 ARG 64 -5.770 -22.353 4.196 426 HD3 ARG 64 HD1 ARG 64 -4.337 -23.258 3.710 427 HE ARG 64 HE ARG 64 -6.362 -24.917 3.043 428 HH11 ARG 64 HH11 ARG 64 -5.719 -21.555 2.363 429 HH12 ARG 64 HH12 ARG 64 -6.541 -21.577 0.839 430 HH21 ARG 64 HH21 ARG 64 -7.443 -24.948 1.038 431 HH22 ARG 64 HH22 ARG 64 -7.520 -23.503 0.087 432 H GLY 65 HN GLY 65 -7.861 -20.959 7.820 433 HA2 GLY 65 HA2 GLY 65 -9.569 -22.652 8.892 434 HA3 GLY 65 HA1 GLY 65 -8.254 -22.815 10.046 435 H ASP 66 HN ASP 66 -8.287 -21.522 11.747 436 HA ASP 66 HA ASP 66 -9.037 -18.796 11.652 437 HB2 ASP 66 HB2 ASP 66 -11.240 -20.389 11.699 438 HB3 ASP 66 HB1 ASP 66 -10.960 -20.165 13.423 439 H TRP 67 HN TRP 67 -6.992 -18.749 12.654 440 HA TRP 67 HA TRP 67 -7.021 -19.500 15.505 441 HB2 TRP 67 HB2 TRP 67 -4.342 -19.170 14.678 442 HB3 TRP 67 HB1 TRP 67 -5.146 -20.670 15.118 443 HD1 TRP 67 HD1 TRP 67 -4.665 -18.492 11.937 444 HE1 TRP 67 HE1 TRP 67 -4.535 -20.075 9.920 445 HE3 TRP 67 HE3 TRP 67 -5.466 -22.916 14.340 446 HZ2 TRP 67 HZ2 TRP 67 -4.744 -22.838 9.411 447 HZ3 TRP 67 HZ3 TRP 67 -5.486 -24.996 13.018 448 HH2 TRP 67 HH2 TRP 67 -5.131 -24.955 10.601 449 H ASN 68 HN ASN 68 -5.050 -17.465 13.399 450 HA ASN 68 HA ASN 68 -5.396 -15.242 15.300 451 HB2 ASN 68 HB2 ASN 68 -3.163 -15.334 13.298 452 HB3 ASN 68 HB1 ASN 68 -3.231 -14.502 14.847 453 HD21 ASN 68 HD21 ASN 68 -3.065 -17.695 13.364 454 HD22 ASN 68 HD22 ASN 68 -2.208 -18.451 14.660 455 H ASP 69 HN ASP 69 -5.448 -16.231 11.945 456 HA ASP 69 HA ASP 69 -6.361 -15.311 10.080 457 HB2 ASP 69 HB2 ASP 69 -7.866 -13.989 12.281 458 HB3 ASP 69 HB1 ASP 69 -8.027 -13.319 10.662 459 H ASP 70 HN ASP 70 -5.997 -13.666 8.597 460 HA ASP 70 HA ASP 70 -3.952 -11.765 9.393 461 HB2 ASP 70 HB2 ASP 70 -3.906 -13.214 7.249 462 HB3 ASP 70 HB1 ASP 70 -5.070 -12.058 6.622 463 H TYR 71 HN TYR 71 -4.310 -9.658 9.753 464 HA TYR 71 HA TYR 71 -6.776 -8.484 8.684 465 HB2 TYR 71 HB2 TYR 71 -5.929 -8.649 11.541 466 HB3 TYR 71 HB1 TYR 71 -6.907 -7.292 10.986 467 HD1 TYR 71 HD2 TYR 71 -9.053 -7.811 9.787 468 HD2 TYR 71 HD1 TYR 71 -6.936 -10.695 12.054 469 HE1 TYR 71 HE2 TYR 71 -11.097 -9.146 9.945 470 HE2 TYR 71 HE1 TYR 71 -8.958 -12.071 12.215 471 HH TYR 71 HH TYR 71 -11.082 -12.385 11.036 472 H CYS 72 HN CYS 72 -6.723 -6.414 8.121 473 HA CYS 72 HA CYS 72 -4.249 -5.162 7.625 474 HB2 CYS 72 HB2 CYS 72 -6.485 -4.845 6.411 475 HB3 CYS 72 HB1 CYS 72 -6.907 -3.746 7.720 476 H THR 73 HN THR 73 -3.649 -2.971 8.425 477 HA THR 73 HA THR 73 -4.348 -2.665 11.271 478 HB THR 73 HB THR 73 -2.106 -2.046 11.769 479 HG1 THR 73 HG1 THR 73 -1.550 -2.174 8.992 480 HG21 THR 73 HG21 THR 73 -2.675 -4.558 10.826 481 HG22 THR 73 HG22 THR 73 -1.214 -4.077 11.690 482 HG23 THR 73 HG23 THR 73 -1.226 -4.107 9.926 483 H GLY 74 HN GLY 74 -4.564 -1.234 8.271 484 HA2 GLY 74 HA2 GLY 74 -5.270 0.847 7.617 485 HA3 GLY 74 HA1 GLY 74 -5.582 1.191 9.311 486 H LYS 75 HN LYS 75 -2.381 0.218 8.554 487 HA LYS 75 HA LYS 75 -1.498 3.021 8.462 488 HB2 LYS 75 HB2 LYS 75 -0.060 0.904 10.052 489 HB3 LYS 75 HB1 LYS 75 0.211 2.640 10.069 490 HG2 LYS 75 HG2 LYS 75 -1.173 2.834 11.780 491 HG3 LYS 75 HG1 LYS 75 -2.488 2.205 10.786 492 HD2 LYS 75 HD2 LYS 75 -2.463 0.712 12.551 493 HD3 LYS 75 HD1 LYS 75 -1.456 -0.113 11.360 494 HE2 LYS 75 HE2 LYS 75 -0.037 1.722 13.174 495 HE3 LYS 75 HE1 LYS 75 -0.740 0.296 13.935 496 HZ1 LYS 75 HZ1 LYS 75 1.106 0.266 11.608 497 HZ2 LYS 75 HZ2 LYS 75 0.453 -1.095 12.372 498 HZ3 LYS 75 HZ3 LYS 75 1.535 -0.096 13.205 499 H SER 76 HN SER 76 -1.614 0.313 6.735 500 HA SER 76 HA SER 76 0.533 1.045 5.038 501 HB2 SER 76 HB2 SER 76 1.588 -0.252 7.074 502 HB3 SER 76 HB1 SER 76 0.998 -1.670 6.208 503 HG SER 76 HG SER 76 3.125 -0.070 5.663 504 H SER 77 HN SER 77 0.854 -0.615 3.267 505 HA SER 77 HA SER 77 -1.766 -1.564 2.433 506 HB2 SER 77 HB2 SER 77 0.458 -2.099 0.608 507 HB3 SER 77 HB1 SER 77 -1.035 -1.201 0.332 508 HG SER 77 HG SER 77 1.470 -0.300 1.102 509 H ASP 78 HN ASP 78 0.267 -2.896 4.438 510 HA ASP 78 HA ASP 78 0.239 -5.558 3.187 511 HB2 ASP 78 HB2 ASP 78 2.001 -4.410 5.354 512 HB3 ASP 78 HB1 ASP 78 1.972 -6.120 4.937 513 H CYS 79 HN CYS 79 -0.788 -7.218 4.133 514 HA CYS 79 HA CYS 79 -2.263 -6.659 6.625 515 HB2 CYS 79 HB2 CYS 79 -3.403 -7.235 4.298 516 HB3 CYS 79 HB1 CYS 79 -3.045 -8.885 4.794 517 HA PRO 80 HA PRO 80 0.633 -9.859 8.070 518 HB2 PRO 80 HB2 PRO 80 0.263 -9.416 10.707 519 HB3 PRO 80 HB1 PRO 80 1.270 -8.365 9.704 520 HG2 PRO 80 HG2 PRO 80 -1.566 -7.981 10.593 521 HG3 PRO 80 HG1 PRO 80 -0.233 -6.811 10.577 522 HD2 PRO 80 HD2 PRO 80 -2.131 -6.884 8.646 523 HD3 PRO 80 HD1 PRO 80 -0.458 -6.395 8.322 524 H TRP 81 HN TRP 81 0.153 -11.947 8.256 525 HA TRP 81 HA TRP 81 -2.412 -13.027 8.446 526 HB2 TRP 81 HB2 TRP 81 -0.386 -14.797 9.584 527 HB3 TRP 81 HB1 TRP 81 -1.404 -15.020 8.171 528 HD1 TRP 81 HD1 TRP 81 2.023 -13.603 9.192 529 HE1 TRP 81 HE1 TRP 81 3.502 -13.506 7.085 530 HE3 TRP 81 HE3 TRP 81 -1.472 -14.867 5.718 531 HZ2 TRP 81 HZ2 TRP 81 3.212 -13.923 4.308 532 HZ3 TRP 81 HZ3 TRP 81 -0.805 -15.007 3.350 533 HH2 TRP 81 HH2 TRP 81 1.493 -14.539 2.659 534 H ASN 82 HN ASN 82 -0.284 -11.941 10.909 535 HA ASN 82 HA ASN 82 -0.650 -11.554 13.139 536 HB2 ASN 82 HB2 ASN 82 -3.234 -13.087 12.747 537 HB3 ASN 82 HB1 ASN 82 -2.749 -12.285 14.235 538 HD21 ASN 82 HD21 ASN 82 -5.010 -11.421 13.545 539 HD22 ASN 82 HD22 ASN 82 -4.974 -9.917 12.698 540 H HIS 83 HN HIS 83 0.705 -13.802 11.870 541 HA HIS 83 HA HIS 83 0.405 -15.915 13.883 542 HB2 HIS 83 HB2 HIS 83 1.960 -15.975 11.286 543 HB3 HIS 83 HB1 HIS 83 1.622 -17.345 12.342 544 HD1 HIS 83 HD1 HIS 83 0.744 -17.117 9.306 545 HD2 HIS 83 HD2 HIS 83 -1.668 -16.401 12.611 546 HE1 HIS 83 HE1 HIS 83 -1.617 -17.414 8.495 547 HE2 HIS 83 HE2 HIS 83 -3.053 -17.082 10.537 Start of MODEL 3 1 H1 SER 1 HT1 SER 1 17.353 0.734 -14.688 2 H2 SER 1 HT2 SER 1 16.424 1.241 -16.039 3 H3 SER 1 HT3 SER 1 15.889 -0.070 -15.070 4 HA SER 1 HA SER 1 16.148 2.741 -14.239 5 HB2 SER 1 HB2 SER 1 13.681 2.636 -14.154 6 HB3 SER 1 HB1 SER 1 14.283 2.315 -15.780 7 HG SER 1 HG SER 1 13.587 0.306 -13.901 8 HA PRO 2 HA PRO 2 16.622 0.173 -10.447 9 HB2 PRO 2 HB2 PRO 2 17.955 2.099 -9.055 10 HB3 PRO 2 HB1 PRO 2 18.753 0.967 -10.153 11 HG2 PRO 2 HG2 PRO 2 17.910 3.799 -10.634 12 HG3 PRO 2 HG1 PRO 2 19.416 2.985 -11.098 13 HD2 PRO 2 HD2 PRO 2 17.405 3.398 -12.850 14 HD3 PRO 2 HD1 PRO 2 18.447 1.962 -12.928 15 HA PRO 3 HA PRO 3 13.374 1.799 -7.948 16 HB2 PRO 3 HB2 PRO 3 14.367 1.665 -5.413 17 HB3 PRO 3 HB1 PRO 3 13.787 0.260 -6.310 18 HG2 PRO 3 HG2 PRO 3 16.588 1.224 -5.892 19 HG3 PRO 3 HG1 PRO 3 15.956 -0.433 -5.858 20 HD2 PRO 3 HD2 PRO 3 17.272 0.552 -7.993 21 HD3 PRO 3 HD1 PRO 3 15.938 -0.608 -8.162 22 H VAL 4 HN VAL 4 13.981 3.933 -9.008 23 HA VAL 4 HA VAL 4 14.795 5.869 -6.942 24 HB VAL 4 HB VAL 4 15.088 6.256 -9.918 25 HG11 VAL 4 HG11 VAL 4 15.594 7.903 -7.523 26 HG12 VAL 4 HG12 VAL 4 15.167 8.385 -9.165 27 HG13 VAL 4 HG13 VAL 4 16.832 7.951 -8.778 28 HG21 VAL 4 HG21 VAL 4 17.347 5.657 -9.788 29 HG22 VAL 4 HG22 VAL 4 16.514 4.405 -8.867 30 HG23 VAL 4 HG23 VAL 4 17.352 5.708 -8.025 31 H CYS 5 HN CYS 5 13.695 7.885 -6.897 32 HA CYS 5 HA CYS 5 10.917 7.667 -7.656 33 HB2 CYS 5 HB2 CYS 5 12.120 8.900 -5.573 34 HB3 CYS 5 HB1 CYS 5 11.999 10.262 -6.682 35 H GLY 6 HN GLY 6 11.095 7.537 -9.846 36 HA2 GLY 6 HA2 GLY 6 10.475 9.329 -11.587 37 HA3 GLY 6 HA1 GLY 6 12.133 9.860 -11.304 38 H ASN 7 HN ASN 7 11.203 6.532 -11.134 39 HA ASN 7 HA ASN 7 12.516 5.943 -13.696 40 HB2 ASN 7 HB2 ASN 7 13.060 4.899 -10.955 41 HB3 ASN 7 HB1 ASN 7 13.045 3.711 -12.255 42 HD21 ASN 7 HD21 ASN 7 14.232 7.037 -11.864 43 HD22 ASN 7 HD22 ASN 7 15.817 6.721 -12.474 44 H LYS 8 HN LYS 8 9.703 6.109 -12.291 45 HA LYS 8 HA LYS 8 7.687 5.238 -12.760 46 HB2 LYS 8 HB2 LYS 8 9.311 3.956 -14.757 47 HB3 LYS 8 HB1 LYS 8 8.155 2.796 -14.115 48 HG2 LYS 8 HG2 LYS 8 6.338 3.980 -14.879 49 HG3 LYS 8 HG1 LYS 8 7.216 5.512 -14.915 50 HD2 LYS 8 HD2 LYS 8 7.289 5.136 -17.135 51 HD3 LYS 8 HD1 LYS 8 8.633 4.070 -16.719 52 HE2 LYS 8 HE2 LYS 8 5.948 2.874 -16.528 53 HE3 LYS 8 HE1 LYS 8 6.473 3.305 -18.155 54 HZ1 LYS 8 HZ1 LYS 8 7.299 1.198 -17.961 55 HZ2 LYS 8 HZ2 LYS 8 7.600 1.329 -16.302 56 HZ3 LYS 8 HZ3 LYS 8 8.633 2.081 -17.410 57 H ILE 9 HN ILE 9 9.882 4.282 -10.806 58 HA ILE 9 HA ILE 9 8.377 2.011 -9.709 59 HB ILE 9 HB ILE 9 11.328 2.633 -9.429 60 HG12 ILE 9 HG12 ILE 9 10.909 -0.013 -10.284 61 HG13 ILE 9 HG11 ILE 9 9.819 0.976 -11.251 62 HG21 ILE 9 HG21 ILE 9 10.842 1.784 -7.347 63 HG22 ILE 9 HG22 ILE 9 11.221 0.311 -8.239 64 HG23 ILE 9 HG23 ILE 9 9.540 0.758 -7.950 65 HD11 ILE 9 HD11 ILE 9 12.380 2.232 -11.116 66 HD12 ILE 9 HD12 ILE 9 11.499 1.636 -12.523 67 HD13 ILE 9 HD13 ILE 9 12.563 0.554 -11.625 68 H LEU 10 HN LEU 10 8.100 2.043 -7.435 69 HA LEU 10 HA LEU 10 7.809 4.697 -6.374 70 HB2 LEU 10 HB2 LEU 10 7.181 3.237 -4.260 71 HB3 LEU 10 HB1 LEU 10 6.071 3.449 -5.599 72 HG LEU 10 HG LEU 10 7.905 1.112 -5.698 73 HD11 LEU 10 HD11 LEU 10 5.383 0.702 -4.228 74 HD12 LEU 10 HD12 LEU 10 6.683 1.509 -3.350 75 HD13 LEU 10 HD13 LEU 10 6.948 -0.089 -4.048 76 HD21 LEU 10 HD21 LEU 10 6.435 1.494 -7.558 77 HD22 LEU 10 HD22 LEU 10 5.043 1.638 -6.483 78 HD23 LEU 10 HD23 LEU 10 5.856 0.084 -6.667 79 H GLU 11 HN GLU 11 10.273 4.821 -6.769 80 HA GLU 11 HA GLU 11 12.472 4.523 -5.999 81 HB2 GLU 11 HB2 GLU 11 11.625 6.729 -5.329 82 HB3 GLU 11 HB1 GLU 11 11.062 6.046 -3.809 83 HG2 GLU 11 HG2 GLU 11 13.189 5.808 -2.969 84 HG3 GLU 11 HG1 GLU 11 13.929 5.778 -4.569 85 H GLN 12 HN GLN 12 12.279 2.173 -5.646 86 HA GLN 12 HA GLN 12 12.373 0.267 -4.358 87 HB2 GLN 12 HB2 GLN 12 13.897 0.745 -2.214 88 HB3 GLN 12 HB1 GLN 12 14.560 0.619 -3.834 89 HG2 GLN 12 HG2 GLN 12 14.413 3.100 -4.009 90 HG3 GLN 12 HG1 GLN 12 13.936 3.137 -2.313 91 HE21 GLN 12 HE21 GLN 12 15.934 4.547 -2.386 92 HE22 GLN 12 HE22 GLN 12 17.441 3.766 -2.068 93 H GLY 13 HN GLY 13 9.958 0.906 -3.912 94 HA2 GLY 13 HA2 GLY 13 8.222 0.661 -2.426 95 HA3 GLY 13 HA1 GLY 13 9.408 0.116 -1.252 96 H GLU 14 HN GLU 14 8.558 3.184 -2.858 97 HA GLU 14 HA GLU 14 8.991 4.579 -0.323 98 HB2 GLU 14 HB2 GLU 14 9.378 5.247 -3.085 99 HB3 GLU 14 HB1 GLU 14 8.286 6.416 -2.355 100 HG2 GLU 14 HG2 GLU 14 11.065 5.708 -1.464 101 HG3 GLU 14 HG1 GLU 14 10.510 7.232 -2.151 102 H ASP 15 HN ASP 15 6.478 3.519 -2.411 103 HA ASP 15 HA ASP 15 4.232 3.335 -1.871 104 HB2 ASP 15 HB2 ASP 15 4.952 4.233 0.496 105 HB3 ASP 15 HB1 ASP 15 4.293 5.752 -0.104 106 H CYS 16 HN CYS 16 5.739 5.037 -3.794 107 HA CYS 16 HA CYS 16 3.522 6.217 -5.062 108 HB2 CYS 16 HB2 CYS 16 3.830 7.942 -3.332 109 HB3 CYS 16 HB1 CYS 16 5.483 8.176 -3.888 110 H ASP 17 HN ASP 17 4.236 5.156 -6.854 111 HA ASP 17 HA ASP 17 6.909 5.794 -7.852 112 HB2 ASP 17 HB2 ASP 17 6.721 3.841 -9.231 113 HB3 ASP 17 HB1 ASP 17 6.173 3.404 -7.615 114 H CYS 18 HN CYS 18 7.159 7.235 -9.390 115 HA CYS 18 HA CYS 18 5.192 7.532 -11.503 116 HB2 CYS 18 HB2 CYS 18 5.786 9.659 -9.470 117 HB3 CYS 18 HB1 CYS 18 5.340 10.108 -11.111 118 H GLY 19 HN GLY 19 6.235 7.786 -13.385 119 HA2 GLY 19 HA2 GLY 19 8.982 7.734 -13.673 120 HA3 GLY 19 HA1 GLY 19 7.875 8.301 -14.914 121 H SER 20 HN SER 20 6.868 10.581 -13.852 122 HA SER 20 HA SER 20 9.163 12.244 -13.114 123 HB2 SER 20 HB2 SER 20 7.576 12.415 -15.619 124 HB3 SER 20 HB1 SER 20 7.961 13.941 -14.823 125 HG SER 20 HG SER 20 9.797 13.717 -15.825 126 HA PRO 21 HA PRO 21 6.317 13.782 -10.068 127 HB2 PRO 21 HB2 PRO 21 7.386 16.382 -10.007 128 HB3 PRO 21 HB1 PRO 21 7.854 15.031 -8.973 129 HG2 PRO 21 HG2 PRO 21 9.155 16.072 -11.435 130 HG3 PRO 21 HG1 PRO 21 9.887 15.345 -9.994 131 HD2 PRO 21 HD2 PRO 21 9.677 13.989 -12.299 132 HD3 PRO 21 HD1 PRO 21 9.482 13.183 -10.728 133 H ALA 22 HN ALA 22 6.934 15.398 -13.107 134 HA ALA 22 HA ALA 22 4.587 17.084 -12.896 135 HB1 ALA 22 HB1 ALA 22 5.216 17.687 -15.276 136 HB2 ALA 22 HB2 ALA 22 6.639 16.669 -15.056 137 HB3 ALA 22 HB3 ALA 22 6.400 18.085 -14.032 138 H ASN 23 HN ASN 23 5.540 14.059 -14.337 139 HA ASN 23 HA ASN 23 2.899 13.807 -15.606 140 HB2 ASN 23 HB2 ASN 23 5.561 12.527 -16.182 141 HB3 ASN 23 HB1 ASN 23 4.064 11.795 -16.751 142 HD21 ASN 23 HD21 ASN 23 6.345 14.319 -17.170 143 HD22 ASN 23 HD22 ASN 23 5.642 15.021 -18.583 144 H CYS 24 HN CYS 24 3.769 13.379 -12.737 145 HA CYS 24 HA CYS 24 3.776 10.676 -12.086 146 HB2 CYS 24 HB2 CYS 24 4.396 12.442 -10.506 147 HB3 CYS 24 HB1 CYS 24 2.731 13.009 -10.476 148 H GLN 25 HN GLN 25 2.262 9.617 -13.324 149 HA GLN 25 HA GLN 25 -0.490 10.306 -13.406 150 HB2 GLN 25 HB2 GLN 25 -0.810 8.145 -14.486 151 HB3 GLN 25 HB1 GLN 25 0.592 8.968 -15.157 152 HG2 GLN 25 HG2 GLN 25 1.918 7.567 -13.421 153 HG3 GLN 25 HG1 GLN 25 0.473 6.558 -13.404 154 HE21 GLN 25 HE21 GLN 25 3.227 7.589 -15.209 155 HE22 GLN 25 HE22 GLN 25 3.052 6.478 -16.520 156 H ASP 26 HN ASP 26 -0.026 10.452 -10.785 157 HA ASP 26 HA ASP 26 -1.633 8.264 -9.721 158 HB2 ASP 26 HB2 ASP 26 1.076 9.092 -8.705 159 HB3 ASP 26 HB1 ASP 26 -0.111 8.364 -7.628 160 H ARG 27 HN ARG 27 -3.381 9.586 -9.453 161 HA ARG 27 HA ARG 27 -3.301 12.219 -8.470 162 HB2 ARG 27 HB2 ARG 27 -5.186 11.216 -9.751 163 HB3 ARG 27 HB1 ARG 27 -5.609 10.276 -8.327 164 HG2 ARG 27 HG2 ARG 27 -7.013 11.985 -7.948 165 HG3 ARG 27 HG1 ARG 27 -5.575 12.745 -7.261 166 HD2 ARG 27 HD2 ARG 27 -5.282 13.391 -9.868 167 HD3 ARG 27 HD1 ARG 27 -7.040 13.347 -9.746 168 HE ARG 27 HE ARG 27 -6.317 14.840 -7.614 169 HH11 ARG 27 HH11 ARG 27 -5.540 15.012 -11.012 170 HH12 ARG 27 HH12 ARG 27 -5.347 16.732 -11.009 171 HH21 ARG 27 HH21 ARG 27 -6.064 17.103 -7.608 172 HH22 ARG 27 HH22 ARG 27 -5.643 17.920 -9.076 173 H CYS 28 HN CYS 28 -3.228 9.161 -6.845 174 HA CYS 28 HA CYS 28 -3.691 10.504 -4.271 175 HB2 CYS 28 HB2 CYS 28 -3.887 7.592 -5.049 176 HB3 CYS 28 HB1 CYS 28 -3.996 8.165 -3.387 177 H CYS 29 HN CYS 29 -1.175 10.511 -5.859 178 HA CYS 29 HA CYS 29 0.607 10.040 -3.690 179 HB2 CYS 29 HB2 CYS 29 1.343 7.976 -4.124 180 HB3 CYS 29 HB1 CYS 29 0.135 7.833 -5.390 181 H ASN 30 HN ASN 30 2.345 11.330 -3.842 182 HA ASN 30 HA ASN 30 2.742 12.751 -6.391 183 HB2 ASN 30 HB2 ASN 30 2.073 14.306 -4.723 184 HB3 ASN 30 HB1 ASN 30 3.153 13.603 -3.526 185 HD21 ASN 30 HD21 ASN 30 4.613 15.065 -3.042 186 HD22 ASN 30 HD22 ASN 30 5.518 16.013 -4.168 187 H ALA 31 HN ALA 31 4.593 12.466 -7.454 188 HA ALA 31 HA ALA 31 6.581 10.661 -6.550 189 HB1 ALA 31 HB1 ALA 31 7.317 12.531 -8.706 190 HB2 ALA 31 HB2 ALA 31 5.848 11.592 -8.974 191 HB3 ALA 31 HB3 ALA 31 7.375 10.769 -8.657 192 H ALA 32 HN ALA 32 6.389 14.186 -6.673 193 HA ALA 32 HA ALA 32 9.018 14.854 -6.110 194 HB1 ALA 32 HB1 ALA 32 7.333 16.658 -4.700 195 HB2 ALA 32 HB2 ALA 32 6.520 16.188 -6.193 196 HB3 ALA 32 HB3 ALA 32 8.139 16.883 -6.253 197 H THR 33 HN THR 33 6.702 13.334 -4.074 198 HA THR 33 HA THR 33 8.457 13.743 -1.741 199 HB THR 33 HB THR 33 6.177 14.685 -1.457 200 HG1 THR 33 HG1 THR 33 6.210 14.066 0.545 201 HG21 THR 33 HG21 THR 33 4.935 13.104 -2.866 202 HG22 THR 33 HG22 THR 33 4.252 13.254 -1.248 203 HG23 THR 33 HG23 THR 33 5.221 11.842 -1.669 204 H CYS 34 HN CYS 34 6.991 11.513 -3.900 205 HA CYS 34 HA CYS 34 7.122 9.273 -4.135 206 HB2 CYS 34 HB2 CYS 34 9.588 10.050 -2.968 207 HB3 CYS 34 HB1 CYS 34 9.078 8.577 -2.150 208 H LYS 35 HN LYS 35 5.127 10.174 -2.621 209 HA LYS 35 HA LYS 35 4.640 7.946 -0.852 210 HB2 LYS 35 HB2 LYS 35 4.385 9.107 1.170 211 HB3 LYS 35 HB1 LYS 35 5.861 9.773 0.488 212 HG2 LYS 35 HG2 LYS 35 5.027 11.807 0.653 213 HG3 LYS 35 HG1 LYS 35 3.707 11.367 -0.429 214 HD2 LYS 35 HD2 LYS 35 2.435 10.515 1.494 215 HD3 LYS 35 HD1 LYS 35 3.754 10.990 2.565 216 HE2 LYS 35 HE2 LYS 35 3.370 13.267 2.223 217 HE3 LYS 35 HE1 LYS 35 2.440 12.983 0.752 218 HZ1 LYS 35 HZ1 LYS 35 1.592 12.892 3.530 219 HZ2 LYS 35 HZ2 LYS 35 0.943 11.697 2.525 220 HZ3 LYS 35 HZ3 LYS 35 0.724 13.330 2.145 221 H LEU 36 HN LEU 36 2.383 8.641 0.389 222 HA LEU 36 HA LEU 36 0.508 8.879 -1.782 223 HB2 LEU 36 HB2 LEU 36 -0.123 8.777 1.162 224 HB3 LEU 36 HB1 LEU 36 -1.176 8.351 -0.174 225 HG LEU 36 HG LEU 36 1.229 6.739 -0.212 226 HD11 LEU 36 HD11 LEU 36 0.581 5.407 1.831 227 HD12 LEU 36 HD12 LEU 36 -0.377 6.802 2.329 228 HD13 LEU 36 HD13 LEU 36 1.369 6.955 2.136 229 HD21 LEU 36 HD21 LEU 36 -1.731 6.295 -0.141 230 HD22 LEU 36 HD22 LEU 36 -0.608 4.944 0.003 231 HD23 LEU 36 HD23 LEU 36 -0.584 5.960 -1.438 232 H THR 37 HN THR 37 -0.681 10.613 -2.347 233 HA THR 37 HA THR 37 0.047 13.188 -1.499 234 HB THR 37 HB THR 37 -1.977 13.931 -2.765 235 HG1 THR 37 HG1 THR 37 -3.475 12.422 -2.634 236 HG21 THR 37 HG21 THR 37 0.205 12.372 -3.850 237 HG22 THR 37 HG22 THR 37 -0.534 13.859 -4.444 238 HG23 THR 37 HG23 THR 37 -1.242 12.297 -4.855 239 HA PRO 38 HA PRO 38 -2.221 14.076 2.163 240 HB2 PRO 38 HB2 PRO 38 -3.436 16.480 1.474 241 HB3 PRO 38 HB1 PRO 38 -1.794 16.309 2.103 242 HG2 PRO 38 HG2 PRO 38 -2.723 16.618 -0.718 243 HG3 PRO 38 HG1 PRO 38 -1.298 17.311 0.078 244 HD2 PRO 38 HD2 PRO 38 -1.086 15.213 -1.571 245 HD3 PRO 38 HD1 PRO 38 -0.081 15.341 -0.112 246 H GLY 39 HN GLY 39 -3.938 12.863 2.642 247 HA2 GLY 39 HA2 GLY 39 -6.400 12.988 2.817 248 HA3 GLY 39 HA1 GLY 39 -6.415 13.294 1.087 249 H SER 40 HN SER 40 -4.263 11.284 0.657 250 HA SER 40 HA SER 40 -5.966 8.893 0.864 251 HB2 SER 40 HB2 SER 40 -3.777 9.569 -1.115 252 HB3 SER 40 HB1 SER 40 -4.634 8.029 -1.061 253 HG SER 40 HG SER 40 -5.764 10.588 -1.543 254 H GLN 41 HN GLN 41 -5.138 6.973 1.630 255 HA GLN 41 HA GLN 41 -2.520 7.173 2.964 256 HB2 GLN 41 HB2 GLN 41 -5.090 5.855 3.724 257 HB3 GLN 41 HB1 GLN 41 -3.582 5.148 4.288 258 HG2 GLN 41 HG2 GLN 41 -3.130 7.677 4.984 259 HG3 GLN 41 HG1 GLN 41 -4.892 7.688 5.043 260 HE21 GLN 41 HE21 GLN 41 -5.851 5.792 6.246 261 HE22 GLN 41 HE22 GLN 41 -5.079 5.343 7.725 262 H CYS 42 HN CYS 42 -4.497 5.289 0.801 263 HA CYS 42 HA CYS 42 -2.335 3.304 0.551 264 HB2 CYS 42 HB2 CYS 42 -3.859 1.686 0.142 265 HB3 CYS 42 HB1 CYS 42 -4.901 2.762 1.061 266 H ASN 43 HN ASN 43 -2.530 2.268 -1.762 267 HA ASN 43 HA ASN 43 -3.159 3.826 -3.992 268 HB2 ASN 43 HB2 ASN 43 -0.940 4.551 -4.730 269 HB3 ASN 43 HB1 ASN 43 -1.354 5.294 -3.187 270 HD21 ASN 43 HD21 ASN 43 1.254 4.982 -4.275 271 HD22 ASN 43 HD22 ASN 43 2.150 3.973 -3.195 272 H TYR 44 HN TYR 44 -1.166 1.391 -2.503 273 HA TYR 44 HA TYR 44 -1.838 -0.510 -4.546 274 HB2 TYR 44 HB2 TYR 44 0.180 -0.805 -5.562 275 HB3 TYR 44 HB1 TYR 44 0.419 0.874 -5.095 276 HD1 TYR 44 HD1 TYR 44 1.111 -2.619 -4.067 277 HD2 TYR 44 HD2 TYR 44 2.171 1.477 -3.639 278 HE1 TYR 44 HE1 TYR 44 3.098 -3.277 -2.788 279 HE2 TYR 44 HE2 TYR 44 4.168 0.833 -2.360 280 HH TYR 44 HH TYR 44 5.418 -2.213 -2.310 281 H GLY 45 HN GLY 45 -1.930 -2.548 -3.690 282 HA2 GLY 45 HA2 GLY 45 -0.801 -4.129 -2.096 283 HA3 GLY 45 HA1 GLY 45 -0.939 -2.831 -0.920 284 H GLU 46 HN GLU 46 -1.935 -5.312 -0.359 285 HA GLU 46 HA GLU 46 -4.594 -5.817 -1.023 286 HB2 GLU 46 HB2 GLU 46 -2.690 -6.706 1.007 287 HB3 GLU 46 HB1 GLU 46 -4.354 -6.741 1.570 288 HG2 GLU 46 HG2 GLU 46 -3.205 -8.153 -0.821 289 HG3 GLU 46 HG1 GLU 46 -3.814 -8.875 0.668 290 H CYS 47 HN CYS 47 -3.272 -3.971 1.709 291 HA CYS 47 HA CYS 47 -5.761 -3.405 2.914 292 HB2 CYS 47 HB2 CYS 47 -3.112 -3.010 3.573 293 HB3 CYS 47 HB1 CYS 47 -3.701 -1.369 3.332 294 H CYS 48 HN CYS 48 -4.162 -1.991 0.187 295 HA CYS 48 HA CYS 48 -5.342 0.556 0.321 296 HB2 CYS 48 HB2 CYS 48 -3.381 0.122 -1.059 297 HB3 CYS 48 HB1 CYS 48 -4.315 -0.976 -2.071 298 H ASP 49 HN ASP 49 -7.282 1.249 -0.083 299 HA ASP 49 HA ASP 49 -8.991 0.036 -2.057 300 HB2 ASP 49 HB2 ASP 49 -9.233 -1.022 0.438 301 HB3 ASP 49 HB1 ASP 49 -10.379 0.311 0.539 302 H GLN 50 HN GLN 50 -9.488 1.822 -3.161 303 HA GLN 50 HA GLN 50 -10.285 3.890 -3.675 304 HB2 GLN 50 HB2 GLN 50 -11.598 3.308 -1.069 305 HB3 GLN 50 HB1 GLN 50 -11.639 4.971 -1.636 306 HG2 GLN 50 HG2 GLN 50 -12.419 3.762 -3.875 307 HG3 GLN 50 HG1 GLN 50 -12.975 2.562 -2.708 308 HE21 GLN 50 HE21 GLN 50 -14.522 3.175 -1.151 309 HE22 GLN 50 HE22 GLN 50 -15.551 4.540 -1.402 310 H CYS 51 HN CYS 51 -7.664 3.744 -2.867 311 HA CYS 51 HA CYS 51 -5.901 5.028 -2.234 312 HB2 CYS 51 HB2 CYS 51 -8.000 7.197 -2.277 313 HB3 CYS 51 HB1 CYS 51 -6.276 7.493 -2.060 314 H ARG 52 HN ARG 52 -7.740 3.759 -0.213 315 HA ARG 52 HA ARG 52 -6.580 5.086 2.116 316 HB2 ARG 52 HB2 ARG 52 -9.483 4.813 1.537 317 HB3 ARG 52 HB1 ARG 52 -8.966 4.497 3.188 318 HG2 ARG 52 HG2 ARG 52 -7.684 6.800 2.792 319 HG3 ARG 52 HG1 ARG 52 -9.023 7.029 1.665 320 HD2 ARG 52 HD2 ARG 52 -10.549 7.211 3.315 321 HD3 ARG 52 HD1 ARG 52 -9.768 5.985 4.313 322 HE ARG 52 HE ARG 52 -8.068 8.078 4.475 323 HH11 ARG 52 HH11 ARG 52 -11.507 7.763 4.981 324 HH12 ARG 52 HH12 ARG 52 -11.575 9.025 6.165 325 HH21 ARG 52 HH21 ARG 52 -8.156 9.738 6.033 326 HH22 ARG 52 HH22 ARG 52 -9.673 10.147 6.762 327 H PHE 53 HN PHE 53 -5.862 3.672 3.628 328 HA PHE 53 HA PHE 53 -5.702 0.930 3.011 329 HB2 PHE 53 HB2 PHE 53 -5.082 2.511 5.494 330 HB3 PHE 53 HB1 PHE 53 -4.936 0.756 5.476 331 HD1 PHE 53 HD1 PHE 53 -3.960 0.567 2.573 332 HD2 PHE 53 HD2 PHE 53 -2.799 2.999 5.867 333 HE1 PHE 53 HE1 PHE 53 -1.709 0.768 1.622 334 HE2 PHE 53 HE2 PHE 53 -0.538 3.208 4.916 335 HZ PHE 53 HZ PHE 53 0.011 2.091 2.790 336 H LYS 54 HN LYS 54 -6.724 -0.858 3.809 337 HA LYS 54 HA LYS 54 -9.442 -0.576 4.541 338 HB2 LYS 54 HB2 LYS 54 -7.533 -2.823 4.205 339 HB3 LYS 54 HB1 LYS 54 -8.933 -3.133 5.222 340 HG2 LYS 54 HG2 LYS 54 -10.375 -3.092 3.489 341 HG3 LYS 54 HG1 LYS 54 -9.476 -1.840 2.629 342 HD2 LYS 54 HD2 LYS 54 -7.724 -3.908 2.515 343 HD3 LYS 54 HD1 LYS 54 -9.264 -4.770 2.476 344 HE2 LYS 54 HE2 LYS 54 -9.847 -2.909 0.691 345 HE3 LYS 54 HE1 LYS 54 -8.093 -2.867 0.513 346 HZ1 LYS 54 HZ1 LYS 54 -9.690 -5.360 0.337 347 HZ2 LYS 54 HZ2 LYS 54 -8.063 -5.149 -0.074 348 HZ3 LYS 54 HZ3 LYS 54 -9.271 -4.426 -1.011 349 H LYS 55 HN LYS 55 -10.041 0.251 6.430 350 HA LYS 55 HA LYS 55 -8.740 0.739 8.698 351 HB2 LYS 55 HB2 LYS 55 -11.107 1.297 8.325 352 HB3 LYS 55 HB1 LYS 55 -11.545 -0.382 8.609 353 HG2 LYS 55 HG2 LYS 55 -11.963 1.038 10.560 354 HG3 LYS 55 HG1 LYS 55 -10.785 -0.231 10.898 355 HD2 LYS 55 HD2 LYS 55 -8.976 1.298 10.807 356 HD3 LYS 55 HD1 LYS 55 -9.991 2.563 10.109 357 HE2 LYS 55 HE2 LYS 55 -10.861 1.498 12.718 358 HE3 LYS 55 HE1 LYS 55 -9.357 2.417 12.725 359 HZ1 LYS 55 HZ1 LYS 55 -10.640 4.171 11.468 360 HZ2 LYS 55 HZ2 LYS 55 -11.055 3.968 13.095 361 HZ3 LYS 55 HZ3 LYS 55 -12.045 3.325 11.884 362 H ALA 56 HN ALA 56 -7.759 -0.290 10.306 363 HA ALA 56 HA ALA 56 -6.975 -2.876 10.300 364 HB1 ALA 56 HB1 ALA 56 -7.046 -2.613 12.928 365 HB2 ALA 56 HB2 ALA 56 -7.372 -0.930 12.506 366 HB3 ALA 56 HB3 ALA 56 -5.898 -1.713 11.937 367 H GLY 57 HN GLY 57 -7.880 -4.802 10.544 368 HA2 GLY 57 HA2 GLY 57 -9.387 -6.215 11.903 369 HA3 GLY 57 HA1 GLY 57 -10.562 -4.910 11.797 370 H THR 58 HN THR 58 -9.291 -4.746 8.880 371 HA THR 58 HA THR 58 -11.418 -6.273 7.664 372 HB THR 58 HB THR 58 -9.168 -4.679 6.404 373 HG1 THR 58 HG1 THR 58 -10.425 -3.241 7.447 374 HG21 THR 58 HG21 THR 58 -10.853 -6.468 5.157 375 HG22 THR 58 HG22 THR 58 -9.948 -5.159 4.391 376 HG23 THR 58 HG23 THR 58 -11.620 -4.901 4.891 377 H VAL 59 HN VAL 59 -11.124 -8.443 7.616 378 HA VAL 59 HA VAL 59 -8.612 -9.712 7.546 379 HB VAL 59 HB VAL 59 -10.631 -10.860 8.359 380 HG11 VAL 59 HG11 VAL 59 -11.598 -11.558 5.676 381 HG12 VAL 59 HG12 VAL 59 -11.878 -9.886 6.163 382 HG13 VAL 59 HG13 VAL 59 -12.495 -11.208 7.154 383 HG21 VAL 59 HG21 VAL 59 -10.251 -12.908 6.577 384 HG22 VAL 59 HG22 VAL 59 -9.256 -12.585 7.997 385 HG23 VAL 59 HG23 VAL 59 -8.762 -11.977 6.417 386 H CYS 60 HN CYS 60 -7.222 -9.906 5.925 387 HA CYS 60 HA CYS 60 -8.266 -9.705 3.171 388 HB2 CYS 60 HB2 CYS 60 -5.363 -9.332 3.661 389 HB3 CYS 60 HB1 CYS 60 -6.423 -8.527 2.512 390 H ARG 61 HN ARG 61 -6.590 -11.705 5.406 391 HA ARG 61 HA ARG 61 -6.473 -13.832 3.442 392 HB2 ARG 61 HB2 ARG 61 -3.946 -13.233 4.957 393 HB3 ARG 61 HB1 ARG 61 -4.167 -14.272 3.557 394 HG2 ARG 61 HG2 ARG 61 -4.628 -12.267 2.191 395 HG3 ARG 61 HG1 ARG 61 -4.278 -11.265 3.601 396 HD2 ARG 61 HD2 ARG 61 -2.366 -13.187 2.277 397 HD3 ARG 61 HD1 ARG 61 -2.346 -11.433 2.108 398 HE ARG 61 HE ARG 61 -2.133 -12.416 4.820 399 HH11 ARG 61 HH11 ARG 61 -0.416 -11.400 1.954 400 HH12 ARG 61 HH12 ARG 61 1.043 -11.033 2.810 401 HH21 ARG 61 HH21 ARG 61 -0.213 -11.936 5.943 402 HH22 ARG 61 HH22 ARG 61 1.160 -11.338 5.072 403 H ILE 62 HN ILE 62 -5.259 -15.790 4.654 404 HA ILE 62 HA ILE 62 -5.510 -16.025 7.433 405 HB ILE 62 HB ILE 62 -7.871 -15.881 7.216 406 HG12 ILE 62 HG12 ILE 62 -8.637 -18.111 7.938 407 HG13 ILE 62 HG11 ILE 62 -7.127 -18.813 7.366 408 HG21 ILE 62 HG21 ILE 62 -7.397 -17.414 4.763 409 HG22 ILE 62 HG22 ILE 62 -8.606 -16.180 5.120 410 HG23 ILE 62 HG23 ILE 62 -8.861 -17.844 5.646 411 HD11 ILE 62 HD11 ILE 62 -7.651 -17.126 9.757 412 HD12 ILE 62 HD12 ILE 62 -6.056 -17.087 9.008 413 HD13 ILE 62 HD13 ILE 62 -6.713 -18.611 9.604 414 H ALA 63 HN ALA 63 -4.434 -17.771 8.073 415 HA ALA 63 HA ALA 63 -2.903 -19.284 6.352 416 HB1 ALA 63 HB1 ALA 63 -3.345 -19.166 9.160 417 HB2 ALA 63 HB2 ALA 63 -1.943 -19.773 8.280 418 HB3 ALA 63 HB3 ALA 63 -3.282 -20.857 8.659 419 H ARG 64 HN ARG 64 -5.224 -21.005 8.397 420 HA ARG 64 HA ARG 64 -6.743 -22.067 6.248 421 HB2 ARG 64 HB2 ARG 64 -4.333 -23.209 6.236 422 HB3 ARG 64 HB1 ARG 64 -5.090 -24.227 7.453 423 HG2 ARG 64 HG2 ARG 64 -5.253 -25.196 5.218 424 HG3 ARG 64 HG1 ARG 64 -6.843 -24.835 5.893 425 HD2 ARG 64 HD2 ARG 64 -7.198 -23.063 4.455 426 HD3 ARG 64 HD1 ARG 64 -5.476 -22.816 4.170 427 HE ARG 64 HE ARG 64 -7.233 -24.569 2.734 428 HH11 ARG 64 HH11 ARG 64 -3.918 -24.003 3.667 429 HH12 ARG 64 HH12 ARG 64 -3.260 -24.891 2.334 430 HH21 ARG 64 HH21 ARG 64 -6.369 -25.738 0.981 431 HH22 ARG 64 HH22 ARG 64 -4.651 -25.876 0.809 432 H GLY 65 HN GLY 65 -8.110 -21.146 8.036 433 HA2 GLY 65 HA2 GLY 65 -9.784 -22.817 9.202 434 HA3 GLY 65 HA1 GLY 65 -8.436 -22.936 10.323 435 H ASP 66 HN ASP 66 -8.446 -21.595 11.989 436 HA ASP 66 HA ASP 66 -9.190 -18.872 11.825 437 HB2 ASP 66 HB2 ASP 66 -11.396 -20.463 11.959 438 HB3 ASP 66 HB1 ASP 66 -11.091 -20.166 13.667 439 H TRP 67 HN TRP 67 -7.125 -18.818 12.793 440 HA TRP 67 HA TRP 67 -7.121 -19.480 15.665 441 HB2 TRP 67 HB2 TRP 67 -4.451 -19.207 14.791 442 HB3 TRP 67 HB1 TRP 67 -5.266 -20.684 15.286 443 HD1 TRP 67 HD1 TRP 67 -4.790 -18.608 12.032 444 HE1 TRP 67 HE1 TRP 67 -4.719 -20.253 10.064 445 HE3 TRP 67 HE3 TRP 67 -5.648 -22.944 14.576 446 HZ2 TRP 67 HZ2 TRP 67 -4.989 -23.025 9.639 447 HZ3 TRP 67 HZ3 TRP 67 -5.727 -25.060 13.317 448 HH2 TRP 67 HH2 TRP 67 -5.403 -25.098 10.895 449 H ASN 68 HN ASN 68 -5.160 -17.529 13.472 450 HA ASN 68 HA ASN 68 -5.454 -15.250 15.315 451 HB2 ASN 68 HB2 ASN 68 -3.242 -15.451 13.296 452 HB3 ASN 68 HB1 ASN 68 -3.285 -14.544 14.803 453 HD21 ASN 68 HD21 ASN 68 -3.186 -17.812 13.481 454 HD22 ASN 68 HD22 ASN 68 -2.326 -18.514 14.806 455 H ASP 69 HN ASP 69 -5.567 -16.329 11.989 456 HA ASP 69 HA ASP 69 -6.492 -15.441 10.113 457 HB2 ASP 69 HB2 ASP 69 -7.931 -14.042 12.303 458 HB3 ASP 69 HB1 ASP 69 -8.075 -13.360 10.686 459 H ASP 70 HN ASP 70 -6.222 -13.764 8.598 460 HA ASP 70 HA ASP 70 -4.070 -11.928 9.303 461 HB2 ASP 70 HB2 ASP 70 -4.001 -13.440 7.238 462 HB3 ASP 70 HB1 ASP 70 -5.221 -12.372 6.553 463 H TYR 71 HN TYR 71 -4.455 -9.854 9.733 464 HA TYR 71 HA TYR 71 -6.870 -8.640 8.583 465 HB2 TYR 71 HB2 TYR 71 -6.032 -8.767 11.446 466 HB3 TYR 71 HB1 TYR 71 -6.999 -7.414 10.863 467 HD1 TYR 71 HD1 TYR 71 -9.164 -7.909 9.724 468 HD2 TYR 71 HD2 TYR 71 -7.037 -10.822 11.943 469 HE1 TYR 71 HE1 TYR 71 -11.218 -9.228 9.908 470 HE2 TYR 71 HE2 TYR 71 -9.069 -12.179 12.135 471 HH TYR 71 HH TYR 71 -11.462 -12.177 10.424 472 H CYS 72 HN CYS 72 -6.828 -6.538 8.082 473 HA CYS 72 HA CYS 72 -4.327 -5.329 7.550 474 HB2 CYS 72 HB2 CYS 72 -7.136 -4.784 7.042 475 HB3 CYS 72 HB1 CYS 72 -6.249 -3.312 7.429 476 H THR 73 HN THR 73 -3.745 -3.112 8.324 477 HA THR 73 HA THR 73 -4.409 -2.812 11.179 478 HB THR 73 HB THR 73 -2.157 -2.131 11.622 479 HG1 THR 73 HG1 THR 73 -0.630 -2.052 9.892 480 HG21 THR 73 HG21 THR 73 -1.304 -4.266 9.857 481 HG22 THR 73 HG22 THR 73 -2.746 -4.683 10.784 482 HG23 THR 73 HG23 THR 73 -1.279 -4.169 11.618 483 H GLY 74 HN GLY 74 -4.799 -1.408 8.218 484 HA2 GLY 74 HA2 GLY 74 -5.484 0.676 7.555 485 HA3 GLY 74 HA1 GLY 74 -5.811 1.000 9.250 486 H LYS 75 HN LYS 75 -2.576 0.122 8.558 487 HA LYS 75 HA LYS 75 -1.778 2.949 8.433 488 HB2 LYS 75 HB2 LYS 75 -0.076 2.640 10.074 489 HB3 LYS 75 HB1 LYS 75 -1.572 2.014 10.754 490 HG2 LYS 75 HG2 LYS 75 -0.288 -0.132 9.444 491 HG3 LYS 75 HG1 LYS 75 0.929 0.702 10.410 492 HD2 LYS 75 HD2 LYS 75 -1.754 -0.180 11.465 493 HD3 LYS 75 HD1 LYS 75 -0.272 -1.126 11.619 494 HE2 LYS 75 HE2 LYS 75 -0.777 1.630 12.735 495 HE3 LYS 75 HE1 LYS 75 -0.674 0.127 13.652 496 HZ1 LYS 75 HZ1 LYS 75 1.495 1.567 12.249 497 HZ2 LYS 75 HZ2 LYS 75 1.654 -0.055 12.700 498 HZ3 LYS 75 HZ3 LYS 75 1.407 1.130 13.881 499 H SER 76 HN SER 76 -1.797 0.227 6.754 500 HA SER 76 HA SER 76 0.407 0.971 5.113 501 HB2 SER 76 HB2 SER 76 0.713 -1.305 7.022 502 HB3 SER 76 HB1 SER 76 1.394 -1.477 5.405 503 HG SER 76 HG SER 76 1.900 0.774 7.044 504 H SER 77 HN SER 77 0.694 -0.651 3.292 505 HA SER 77 HA SER 77 -1.954 -1.490 2.425 506 HB2 SER 77 HB2 SER 77 0.277 -1.983 0.585 507 HB3 SER 77 HB1 SER 77 -1.225 -1.097 0.325 508 HG SER 77 HG SER 77 0.848 0.122 0.302 509 H ASP 78 HN ASP 78 0.058 -2.945 4.362 510 HA ASP 78 HA ASP 78 -0.047 -5.557 3.012 511 HB2 ASP 78 HB2 ASP 78 1.804 -4.432 5.097 512 HB3 ASP 78 HB1 ASP 78 1.635 -6.172 4.884 513 H CYS 79 HN CYS 79 -0.917 -7.323 4.040 514 HA CYS 79 HA CYS 79 -2.451 -6.756 6.494 515 HB2 CYS 79 HB2 CYS 79 -3.545 -7.359 4.109 516 HB3 CYS 79 HB1 CYS 79 -3.298 -8.987 4.732 517 HA PRO 80 HA PRO 80 0.476 -9.973 7.860 518 HB2 PRO 80 HB2 PRO 80 0.163 -9.500 10.510 519 HB3 PRO 80 HB1 PRO 80 1.200 -8.508 9.479 520 HG2 PRO 80 HG2 PRO 80 -1.597 -7.984 10.413 521 HG3 PRO 80 HG1 PRO 80 -0.214 -6.875 10.349 522 HD2 PRO 80 HD2 PRO 80 -2.153 -6.883 8.464 523 HD3 PRO 80 HD1 PRO 80 -0.462 -6.497 8.087 524 H TRP 81 HN TRP 81 0.106 -12.050 8.413 525 HA TRP 81 HA TRP 81 -2.560 -13.024 8.617 526 HB2 TRP 81 HB2 TRP 81 -0.496 -14.870 9.565 527 HB3 TRP 81 HB1 TRP 81 -1.679 -15.071 8.282 528 HD1 TRP 81 HD1 TRP 81 1.903 -13.812 8.882 529 HE1 TRP 81 HE1 TRP 81 3.120 -13.777 6.612 530 HE3 TRP 81 HE3 TRP 81 -2.046 -14.867 5.868 531 HZ2 TRP 81 HZ2 TRP 81 2.471 -14.163 3.890 532 HZ3 TRP 81 HZ3 TRP 81 -1.684 -15.032 3.433 533 HH2 TRP 81 HH2 TRP 81 0.534 -14.680 2.464 534 H ASN 82 HN ASN 82 -0.405 -11.800 10.891 535 HA ASN 82 HA ASN 82 -0.527 -11.529 13.155 536 HB2 ASN 82 HB2 ASN 82 -3.226 -12.837 12.758 537 HB3 ASN 82 HB1 ASN 82 -2.633 -12.326 14.334 538 HD21 ASN 82 HD21 ASN 82 -3.215 -11.124 11.060 539 HD22 ASN 82 HD22 ASN 82 -3.677 -9.530 11.540 540 H HIS 83 HN HIS 83 0.623 -13.829 11.770 541 HA HIS 83 HA HIS 83 0.339 -15.970 13.750 542 HB2 HIS 83 HB2 HIS 83 1.659 -15.973 11.022 543 HB3 HIS 83 HB1 HIS 83 1.510 -17.372 12.085 544 HD1 HIS 83 HD1 HIS 83 0.249 -17.181 9.198 545 HD2 HIS 83 HD2 HIS 83 -1.752 -16.516 12.774 546 HE1 HIS 83 HE1 HIS 83 -2.187 -17.537 8.685 547 HE2 HIS 83 HE2 HIS 83 -3.385 -17.058 10.845 Start of MODEL 4 1 H1 SER 1 HT1 SER 1 21.737 0.427 -11.153 2 H2 SER 1 HT2 SER 1 20.816 1.459 -12.169 3 H3 SER 1 HT3 SER 1 20.364 -0.185 -11.976 4 HA SER 1 HA SER 1 20.136 0.338 -9.551 5 HB2 SER 1 HB2 SER 1 20.424 3.058 -10.809 6 HB3 SER 1 HB1 SER 1 19.483 2.844 -9.332 7 HG SER 1 HG SER 1 21.798 3.364 -9.095 8 HA PRO 2 HA PRO 2 16.296 -0.403 -12.109 9 HB2 PRO 2 HB2 PRO 2 15.843 -1.975 -9.614 10 HB3 PRO 2 HB1 PRO 2 15.508 -2.407 -11.293 11 HG2 PRO 2 HG2 PRO 2 17.617 -3.424 -10.022 12 HG3 PRO 2 HG1 PRO 2 17.711 -2.968 -11.732 13 HD2 PRO 2 HD2 PRO 2 18.822 -1.589 -9.339 14 HD3 PRO 2 HD1 PRO 2 19.459 -1.673 -10.993 15 HA PRO 3 HA PRO 3 13.882 1.349 -8.323 16 HB2 PRO 3 HB2 PRO 3 15.816 2.013 -6.259 17 HB3 PRO 3 HB1 PRO 3 14.418 0.941 -6.161 18 HG2 PRO 3 HG2 PRO 3 16.984 0.048 -6.059 19 HG3 PRO 3 HG1 PRO 3 15.643 -0.919 -6.700 20 HD2 PRO 3 HD2 PRO 3 17.711 0.669 -8.178 21 HD3 PRO 3 HD1 PRO 3 17.065 -0.947 -8.535 22 H VAL 4 HN VAL 4 13.537 3.192 -9.504 23 HA VAL 4 HA VAL 4 15.439 5.402 -9.058 24 HB VAL 4 HB VAL 4 14.242 6.243 -11.285 25 HG11 VAL 4 HG11 VAL 4 16.601 6.112 -11.115 26 HG12 VAL 4 HG12 VAL 4 16.152 5.180 -12.543 27 HG13 VAL 4 HG13 VAL 4 16.568 4.350 -11.044 28 HG21 VAL 4 HG21 VAL 4 14.307 3.257 -11.688 29 HG22 VAL 4 HG22 VAL 4 13.757 4.489 -12.824 30 HG23 VAL 4 HG23 VAL 4 12.832 4.165 -11.357 31 H CYS 5 HN CYS 5 14.596 6.824 -7.675 32 HA CYS 5 HA CYS 5 11.734 7.137 -7.387 33 HB2 CYS 5 HB2 CYS 5 12.879 7.301 -5.334 34 HB3 CYS 5 HB1 CYS 5 14.145 8.315 -6.014 35 H GLY 6 HN GLY 6 10.875 8.061 -9.158 36 HA2 GLY 6 HA2 GLY 6 10.217 10.308 -9.943 37 HA3 GLY 6 HA1 GLY 6 11.934 10.701 -9.962 38 H ASN 7 HN ASN 7 10.708 7.606 -10.935 39 HA ASN 7 HA ASN 7 11.244 8.234 -13.758 40 HB2 ASN 7 HB2 ASN 7 13.079 6.902 -12.721 41 HB3 ASN 7 HB1 ASN 7 11.908 5.649 -12.319 42 HD21 ASN 7 HD21 ASN 7 13.982 6.921 -14.680 43 HD22 ASN 7 HD22 ASN 7 13.558 5.857 -15.974 44 H LYS 8 HN LYS 8 8.973 7.453 -11.563 45 HA LYS 8 HA LYS 8 6.791 6.914 -11.825 46 HB2 LYS 8 HB2 LYS 8 7.283 7.491 -14.338 47 HB3 LYS 8 HB1 LYS 8 7.225 5.746 -14.545 48 HG2 LYS 8 HG2 LYS 8 4.961 6.102 -13.157 49 HG3 LYS 8 HG1 LYS 8 5.060 7.662 -13.975 50 HD2 LYS 8 HD2 LYS 8 3.938 6.490 -15.576 51 HD3 LYS 8 HD1 LYS 8 5.591 6.104 -16.059 52 HE2 LYS 8 HE2 LYS 8 4.294 4.342 -14.053 53 HE3 LYS 8 HE1 LYS 8 3.729 4.234 -15.720 54 HZ1 LYS 8 HZ1 LYS 8 6.497 3.814 -14.737 55 HZ2 LYS 8 HZ2 LYS 8 6.089 3.909 -16.375 56 HZ3 LYS 8 HZ3 LYS 8 5.466 2.659 -15.421 57 H ILE 9 HN ILE 9 9.138 5.093 -11.120 58 HA ILE 9 HA ILE 9 7.630 2.569 -11.314 59 HB ILE 9 HB ILE 9 10.413 2.106 -10.715 60 HG12 ILE 9 HG12 ILE 9 9.851 3.527 -13.328 61 HG13 ILE 9 HG11 ILE 9 10.850 4.129 -12.008 62 HG21 ILE 9 HG21 ILE 9 8.533 1.236 -12.891 63 HG22 ILE 9 HG22 ILE 9 9.026 0.345 -11.451 64 HG23 ILE 9 HG23 ILE 9 10.187 0.640 -12.745 65 HD11 ILE 9 HD11 ILE 9 12.361 3.316 -13.587 66 HD12 ILE 9 HD12 ILE 9 11.405 1.865 -13.887 67 HD13 ILE 9 HD13 ILE 9 12.274 2.050 -12.363 68 H LEU 10 HN LEU 10 6.821 2.025 -9.407 69 HA LEU 10 HA LEU 10 7.731 3.176 -6.959 70 HB2 LEU 10 HB2 LEU 10 6.074 0.697 -6.967 71 HB3 LEU 10 HB1 LEU 10 5.949 2.117 -5.947 72 HG LEU 10 HG LEU 10 5.246 3.205 -8.309 73 HD11 LEU 10 HD11 LEU 10 5.419 0.609 -9.049 74 HD12 LEU 10 HD12 LEU 10 4.358 1.794 -9.813 75 HD13 LEU 10 HD13 LEU 10 3.722 0.708 -8.577 76 HD21 LEU 10 HD21 LEU 10 4.055 2.768 -5.930 77 HD22 LEU 10 HD22 LEU 10 3.047 1.769 -6.976 78 HD23 LEU 10 HD23 LEU 10 3.241 3.488 -7.319 79 H GLU 11 HN GLU 11 10.007 2.416 -7.590 80 HA GLU 11 HA GLU 11 10.482 -0.210 -6.351 81 HB2 GLU 11 HB2 GLU 11 10.886 -0.212 -8.797 82 HB3 GLU 11 HB1 GLU 11 12.094 1.044 -8.572 83 HG2 GLU 11 HG2 GLU 11 13.495 -0.425 -7.325 84 HG3 GLU 11 HG1 GLU 11 12.235 -1.658 -7.266 85 H GLN 12 HN GLN 12 11.975 2.951 -7.072 86 HA GLN 12 HA GLN 12 14.082 2.635 -5.189 87 HB2 GLN 12 HB2 GLN 12 13.652 4.339 -7.202 88 HB3 GLN 12 HB1 GLN 12 13.146 5.363 -5.871 89 HG2 GLN 12 HG2 GLN 12 15.750 3.933 -5.689 90 HG3 GLN 12 HG1 GLN 12 15.621 5.369 -6.704 91 HE21 GLN 12 HE21 GLN 12 15.230 4.141 -3.438 92 HE22 GLN 12 HE22 GLN 12 15.443 5.658 -2.640 93 H GLY 13 HN GLY 13 12.288 1.795 -3.571 94 HA2 GLY 13 HA2 GLY 13 11.014 2.137 -1.672 95 HA3 GLY 13 HA1 GLY 13 12.361 3.186 -1.267 96 H GLU 14 HN GLU 14 9.864 3.624 -3.754 97 HA GLU 14 HA GLU 14 9.274 6.236 -2.583 98 HB2 GLU 14 HB2 GLU 14 8.119 5.221 -5.161 99 HB3 GLU 14 HB1 GLU 14 8.402 6.881 -4.661 100 HG2 GLU 14 HG2 GLU 14 10.103 6.650 -6.129 101 HG3 GLU 14 HG1 GLU 14 10.917 6.070 -4.677 102 H ASP 15 HN ASP 15 7.396 3.588 -4.045 103 HA ASP 15 HA ASP 15 5.445 2.585 -3.396 104 HB2 ASP 15 HB2 ASP 15 6.436 3.261 -0.993 105 HB3 ASP 15 HB1 ASP 15 5.031 4.321 -1.018 106 H CYS 16 HN CYS 16 5.887 5.454 -4.584 107 HA CYS 16 HA CYS 16 3.466 5.911 -5.696 108 HB2 CYS 16 HB2 CYS 16 3.464 6.778 -2.909 109 HB3 CYS 16 HB1 CYS 16 3.041 8.073 -4.022 110 H ASP 17 HN ASP 17 5.427 6.276 -7.045 111 HA ASP 17 HA ASP 17 6.269 9.094 -6.887 112 HB2 ASP 17 HB2 ASP 17 8.190 7.728 -6.515 113 HB3 ASP 17 HB1 ASP 17 7.772 6.660 -7.851 114 H CYS 18 HN CYS 18 6.754 10.120 -8.934 115 HA CYS 18 HA CYS 18 5.187 9.051 -11.188 116 HB2 CYS 18 HB2 CYS 18 5.242 11.842 -10.060 117 HB3 CYS 18 HB1 CYS 18 4.765 11.534 -11.722 118 H GLY 19 HN GLY 19 6.325 8.894 -13.038 119 HA2 GLY 19 HA2 GLY 19 9.006 9.197 -13.326 120 HA3 GLY 19 HA1 GLY 19 7.892 9.364 -14.674 121 H SER 20 HN SER 20 6.598 11.735 -13.774 122 HA SER 20 HA SER 20 8.754 13.709 -13.658 123 HB2 SER 20 HB2 SER 20 7.724 13.151 -16.062 124 HB3 SER 20 HB1 SER 20 6.505 14.302 -15.515 125 HG SER 20 HG SER 20 8.096 15.843 -15.270 126 HA PRO 21 HA PRO 21 5.994 15.116 -10.388 127 HB2 PRO 21 HB2 PRO 21 7.201 17.652 -10.290 128 HB3 PRO 21 HB1 PRO 21 7.611 16.258 -9.290 129 HG2 PRO 21 HG2 PRO 21 8.930 17.277 -11.754 130 HG3 PRO 21 HG1 PRO 21 9.645 16.492 -10.334 131 HD2 PRO 21 HD2 PRO 21 9.341 15.183 -12.649 132 HD3 PRO 21 HD1 PRO 21 9.114 14.364 -11.089 133 H ALA 22 HN ALA 22 6.651 16.728 -13.416 134 HA ALA 22 HA ALA 22 4.407 18.545 -13.141 135 HB1 ALA 22 HB1 ALA 22 5.037 19.192 -15.491 136 HB2 ALA 22 HB2 ALA 22 6.376 18.051 -15.366 137 HB3 ALA 22 HB3 ALA 22 6.293 19.438 -14.279 138 H ASN 23 HN ASN 23 5.164 15.492 -14.628 139 HA ASN 23 HA ASN 23 2.506 15.414 -15.885 140 HB2 ASN 23 HB2 ASN 23 4.826 13.550 -16.417 141 HB3 ASN 23 HB1 ASN 23 3.343 13.708 -17.355 142 HD21 ASN 23 HD21 ASN 23 6.398 14.193 -17.711 143 HD22 ASN 23 HD22 ASN 23 6.440 15.684 -18.582 144 H CYS 24 HN CYS 24 3.313 14.932 -13.029 145 HA CYS 24 HA CYS 24 3.204 12.231 -12.374 146 HB2 CYS 24 HB2 CYS 24 3.857 14.017 -10.809 147 HB3 CYS 24 HB1 CYS 24 2.190 14.582 -10.772 148 H GLN 25 HN GLN 25 1.647 11.302 -13.742 149 HA GLN 25 HA GLN 25 -1.125 12.070 -13.515 150 HB2 GLN 25 HB2 GLN 25 -1.543 10.209 -15.062 151 HB3 GLN 25 HB1 GLN 25 -0.266 11.265 -15.650 152 HG2 GLN 25 HG2 GLN 25 1.387 9.701 -15.273 153 HG3 GLN 25 HG1 GLN 25 0.426 8.821 -14.085 154 HE21 GLN 25 HE21 GLN 25 0.450 6.833 -14.968 155 HE22 GLN 25 HE22 GLN 25 -0.206 6.443 -16.518 156 H ASP 26 HN ASP 26 -0.318 11.516 -11.004 157 HA ASP 26 HA ASP 26 -1.912 9.170 -10.357 158 HB2 ASP 26 HB2 ASP 26 0.848 9.565 -9.180 159 HB3 ASP 26 HB1 ASP 26 -0.261 8.238 -8.848 160 H ARG 27 HN ARG 27 -3.472 10.436 -9.444 161 HA ARG 27 HA ARG 27 -3.005 12.653 -7.782 162 HB2 ARG 27 HB2 ARG 27 -5.352 12.554 -7.255 163 HB3 ARG 27 HB1 ARG 27 -5.134 12.180 -8.959 164 HG2 ARG 27 HG2 ARG 27 -5.081 9.697 -7.944 165 HG3 ARG 27 HG1 ARG 27 -6.119 10.489 -6.756 166 HD2 ARG 27 HD2 ARG 27 -7.656 9.775 -8.320 167 HD3 ARG 27 HD1 ARG 27 -7.343 11.427 -8.852 168 HE ARG 27 HE ARG 27 -5.552 9.973 -10.264 169 HH11 ARG 27 HH11 ARG 27 -9.002 9.715 -9.806 170 HH12 ARG 27 HH12 ARG 27 -9.283 9.019 -11.366 171 HH21 ARG 27 HH21 ARG 27 -5.920 9.058 -12.317 172 HH22 ARG 27 HH22 ARG 27 -7.534 8.646 -12.792 173 H CYS 28 HN CYS 28 -2.900 9.267 -7.139 174 HA CYS 28 HA CYS 28 -3.014 9.729 -4.248 175 HB2 CYS 28 HB2 CYS 28 -3.231 7.254 -5.945 176 HB3 CYS 28 HB1 CYS 28 -2.930 7.152 -4.214 177 H CYS 29 HN CYS 29 -0.723 9.745 -6.609 178 HA CYS 29 HA CYS 29 1.380 9.038 -4.691 179 HB2 CYS 29 HB2 CYS 29 1.272 8.121 -7.571 180 HB3 CYS 29 HB1 CYS 29 2.662 7.938 -6.512 181 H ASN 30 HN ASN 30 2.869 10.604 -4.531 182 HA ASN 30 HA ASN 30 3.007 12.596 -6.703 183 HB2 ASN 30 HB2 ASN 30 2.164 13.557 -4.644 184 HB3 ASN 30 HB1 ASN 30 3.537 12.923 -3.746 185 HD21 ASN 30 HD21 ASN 30 4.664 14.621 -3.121 186 HD22 ASN 30 HD22 ASN 30 5.189 15.915 -4.137 187 H ALA 31 HN ALA 31 4.878 13.023 -7.683 188 HA ALA 31 HA ALA 31 7.132 11.315 -7.256 189 HB1 ALA 31 HB1 ALA 31 7.108 11.832 -9.452 190 HB2 ALA 31 HB2 ALA 31 8.080 13.205 -8.935 191 HB3 ALA 31 HB3 ALA 31 6.345 13.396 -9.187 192 H ALA 32 HN ALA 32 6.432 14.731 -6.672 193 HA ALA 32 HA ALA 32 8.943 15.609 -5.891 194 HB1 ALA 32 HB1 ALA 32 6.329 16.634 -5.873 195 HB2 ALA 32 HB2 ALA 32 7.836 17.509 -5.605 196 HB3 ALA 32 HB3 ALA 32 6.951 16.835 -4.236 197 H THR 33 HN THR 33 6.821 13.442 -4.280 198 HA THR 33 HA THR 33 8.497 13.580 -1.861 199 HB THR 33 HB THR 33 6.081 14.233 -1.553 200 HG1 THR 33 HG1 THR 33 7.204 13.461 0.215 201 HG21 THR 33 HG21 THR 33 4.326 12.807 -1.818 202 HG22 THR 33 HG22 THR 33 5.329 11.364 -1.668 203 HG23 THR 33 HG23 THR 33 5.340 12.293 -3.166 204 H CYS 34 HN CYS 34 7.325 11.679 -4.462 205 HA CYS 34 HA CYS 34 7.614 9.521 -5.074 206 HB2 CYS 34 HB2 CYS 34 10.008 10.241 -3.559 207 HB3 CYS 34 HB1 CYS 34 9.672 8.515 -3.494 208 H LYS 35 HN LYS 35 5.694 10.099 -3.135 209 HA LYS 35 HA LYS 35 5.289 7.497 -2.012 210 HB2 LYS 35 HB2 LYS 35 5.885 7.798 0.129 211 HB3 LYS 35 HB1 LYS 35 6.771 9.206 -0.435 212 HG2 LYS 35 HG2 LYS 35 4.591 10.497 -0.038 213 HG3 LYS 35 HG1 LYS 35 4.092 9.086 0.898 214 HD2 LYS 35 HD2 LYS 35 6.085 9.324 2.306 215 HD3 LYS 35 HD1 LYS 35 6.572 10.741 1.372 216 HE2 LYS 35 HE2 LYS 35 4.010 10.488 2.945 217 HE3 LYS 35 HE1 LYS 35 5.458 11.330 3.495 218 HZ1 LYS 35 HZ1 LYS 35 3.715 12.044 1.206 219 HZ2 LYS 35 HZ2 LYS 35 5.232 12.746 1.463 220 HZ3 LYS 35 HZ3 LYS 35 4.004 12.947 2.608 221 H LEU 36 HN LEU 36 3.258 7.523 -0.581 222 HA LEU 36 HA LEU 36 1.060 8.245 -2.023 223 HB2 LEU 36 HB2 LEU 36 1.459 7.803 0.914 224 HB3 LEU 36 HB1 LEU 36 -0.117 8.248 0.293 225 HG LEU 36 HG LEU 36 1.357 5.874 -0.807 226 HD11 LEU 36 HD11 LEU 36 1.309 5.344 1.477 227 HD12 LEU 36 HD12 LEU 36 -0.105 4.546 0.788 228 HD13 LEU 36 HD13 LEU 36 -0.294 6.049 1.692 229 HD21 LEU 36 HD21 LEU 36 -0.500 6.581 -2.124 230 HD22 LEU 36 HD22 LEU 36 -1.525 6.727 -0.699 231 HD23 LEU 36 HD23 LEU 36 -0.990 5.138 -1.238 232 H THR 37 HN THR 37 -0.315 9.963 -2.175 233 HA THR 37 HA THR 37 0.654 12.491 -1.030 234 HB THR 37 HB THR 37 -0.205 13.606 -2.866 235 HG1 THR 37 HG1 THR 37 -2.236 13.196 -3.193 236 HG21 THR 37 HG21 THR 37 0.117 10.930 -4.172 237 HG22 THR 37 HG22 THR 37 1.482 11.893 -3.612 238 HG23 THR 37 HG23 THR 37 0.407 12.528 -4.857 239 HA PRO 38 HA PRO 38 -2.833 13.417 1.504 240 HB2 PRO 38 HB2 PRO 38 -3.838 15.445 -0.434 241 HB3 PRO 38 HB1 PRO 38 -3.495 15.611 1.291 242 HG2 PRO 38 HG2 PRO 38 -1.831 16.625 -0.517 243 HG3 PRO 38 HG1 PRO 38 -1.210 15.844 0.949 244 HD2 PRO 38 HD2 PRO 38 -1.326 14.808 -1.850 245 HD3 PRO 38 HD1 PRO 38 -0.072 14.580 -0.614 246 H GLY 39 HN GLY 39 -4.544 12.130 1.726 247 HA2 GLY 39 HA2 GLY 39 -6.817 11.582 1.195 248 HA3 GLY 39 HA1 GLY 39 -6.468 11.935 -0.491 249 H SER 40 HN SER 40 -3.955 10.461 -0.476 250 HA SER 40 HA SER 40 -5.081 7.758 -0.650 251 HB2 SER 40 HB2 SER 40 -3.526 7.289 -2.328 252 HB3 SER 40 HB1 SER 40 -3.893 8.989 -2.622 253 HG SER 40 HG SER 40 -1.994 9.400 -1.229 254 H GLN 41 HN GLN 41 -4.575 6.330 0.882 255 HA GLN 41 HA GLN 41 -2.127 6.796 2.453 256 HB2 GLN 41 HB2 GLN 41 -4.807 5.681 3.224 257 HB3 GLN 41 HB1 GLN 41 -3.375 5.357 4.190 258 HG2 GLN 41 HG2 GLN 41 -3.102 7.952 4.123 259 HG3 GLN 41 HG1 GLN 41 -4.824 7.919 3.749 260 HE21 GLN 41 HE21 GLN 41 -5.777 5.920 5.257 261 HE22 GLN 41 HE22 GLN 41 -5.540 6.247 6.937 262 H CYS 42 HN CYS 42 -3.699 4.586 0.348 263 HA CYS 42 HA CYS 42 -1.807 2.474 1.146 264 HB2 CYS 42 HB2 CYS 42 -3.366 0.830 0.398 265 HB3 CYS 42 HB1 CYS 42 -4.195 1.926 1.491 266 H ASN 43 HN ASN 43 -3.507 3.673 -1.738 267 HA ASN 43 HA ASN 43 -2.867 3.917 -3.897 268 HB2 ASN 43 HB2 ASN 43 -0.896 5.053 -3.343 269 HB3 ASN 43 HB1 ASN 43 -0.165 3.633 -2.607 270 HD21 ASN 43 HD21 ASN 43 -1.678 4.220 -5.761 271 HD22 ASN 43 HD22 ASN 43 -0.326 3.694 -6.699 272 H TYR 44 HN TYR 44 -1.738 1.144 -2.124 273 HA TYR 44 HA TYR 44 -2.807 -0.757 -3.819 274 HB2 TYR 44 HB2 TYR 44 -1.157 -1.468 -5.263 275 HB3 TYR 44 HB1 TYR 44 -0.800 0.252 -5.227 276 HD1 TYR 44 HD2 TYR 44 0.231 -3.038 -3.891 277 HD2 TYR 44 HD1 TYR 44 1.278 1.052 -4.408 278 HE1 TYR 44 HE2 TYR 44 2.526 -3.543 -3.175 279 HE2 TYR 44 HE1 TYR 44 3.579 0.559 -3.694 280 HH TYR 44 HH TYR 44 4.458 -2.335 -2.193 281 H GLY 45 HN GLY 45 -2.553 -2.866 -3.005 282 HA2 GLY 45 HA2 GLY 45 -0.908 -4.221 -1.556 283 HA3 GLY 45 HA1 GLY 45 -1.216 -2.952 -0.381 284 H GLU 46 HN GLU 46 -1.714 -5.439 0.443 285 HA GLU 46 HA GLU 46 -4.236 -6.517 -0.116 286 HB2 GLU 46 HB2 GLU 46 -2.248 -6.779 2.072 287 HB3 GLU 46 HB1 GLU 46 -3.887 -7.305 2.430 288 HG2 GLU 46 HG2 GLU 46 -3.258 -9.254 1.565 289 HG3 GLU 46 HG1 GLU 46 -3.439 -8.462 0.000 290 H CYS 47 HN CYS 47 -3.217 -4.179 2.349 291 HA CYS 47 HA CYS 47 -5.884 -3.917 3.403 292 HB2 CYS 47 HB2 CYS 47 -3.478 -3.505 4.513 293 HB3 CYS 47 HB1 CYS 47 -3.824 -1.858 3.997 294 H CYS 48 HN CYS 48 -4.237 -2.602 0.741 295 HA CYS 48 HA CYS 48 -5.332 -0.014 0.702 296 HB2 CYS 48 HB2 CYS 48 -3.385 -0.765 -0.668 297 HB3 CYS 48 HB1 CYS 48 -4.496 -1.698 -1.665 298 H ASP 49 HN ASP 49 -7.178 0.796 -0.019 299 HA ASP 49 HA ASP 49 -8.946 -0.596 -1.788 300 HB2 ASP 49 HB2 ASP 49 -9.538 -1.716 0.313 301 HB3 ASP 49 HB1 ASP 49 -9.802 -0.155 1.085 302 H GLN 50 HN GLN 50 -9.191 1.108 -3.115 303 HA GLN 50 HA GLN 50 -9.861 3.140 -3.893 304 HB2 GLN 50 HB2 GLN 50 -11.849 2.551 -2.355 305 HB3 GLN 50 HB1 GLN 50 -11.137 3.692 -1.223 306 HG2 GLN 50 HG2 GLN 50 -12.610 5.045 -2.315 307 HG3 GLN 50 HG1 GLN 50 -11.163 5.294 -3.291 308 HE21 GLN 50 HE21 GLN 50 -13.610 5.864 -4.325 309 HE22 GLN 50 HE22 GLN 50 -14.019 4.718 -5.551 310 H CYS 51 HN CYS 51 -7.316 2.917 -2.825 311 HA CYS 51 HA CYS 51 -5.528 4.175 -2.222 312 HB2 CYS 51 HB2 CYS 51 -7.544 6.299 -2.849 313 HB3 CYS 51 HB1 CYS 51 -5.998 6.748 -2.136 314 H ARG 52 HN ARG 52 -7.577 3.199 -0.234 315 HA ARG 52 HA ARG 52 -6.525 4.709 2.044 316 HB2 ARG 52 HB2 ARG 52 -9.403 4.285 1.358 317 HB3 ARG 52 HB1 ARG 52 -8.930 4.282 3.051 318 HG2 ARG 52 HG2 ARG 52 -7.910 6.525 1.438 319 HG3 ARG 52 HG1 ARG 52 -9.654 6.486 1.704 320 HD2 ARG 52 HD2 ARG 52 -9.460 6.924 3.909 321 HD3 ARG 52 HD1 ARG 52 -7.996 5.955 4.077 322 HE ARG 52 HE ARG 52 -7.249 8.173 2.638 323 HH11 ARG 52 HH11 ARG 52 -8.665 7.573 5.770 324 HH12 ARG 52 HH12 ARG 52 -7.968 8.983 6.495 325 HH21 ARG 52 HH21 ARG 52 -6.331 10.028 3.589 326 HH22 ARG 52 HH22 ARG 52 -6.644 10.377 5.257 327 H PHE 53 HN PHE 53 -6.073 3.463 3.834 328 HA PHE 53 HA PHE 53 -5.807 0.669 3.427 329 HB2 PHE 53 HB2 PHE 53 -5.408 2.426 5.842 330 HB3 PHE 53 HB1 PHE 53 -5.207 0.677 5.923 331 HD1 PHE 53 HD2 PHE 53 -4.032 0.363 3.127 332 HD2 PHE 53 HD1 PHE 53 -3.170 3.027 6.332 333 HE1 PHE 53 HE2 PHE 53 -1.736 0.583 2.317 334 HE2 PHE 53 HE1 PHE 53 -0.858 3.252 5.522 335 HZ PHE 53 HZ PHE 53 -0.134 2.027 3.510 336 H LYS 54 HN LYS 54 -6.903 -1.046 4.230 337 HA LYS 54 HA LYS 54 -9.663 -0.646 4.834 338 HB2 LYS 54 HB2 LYS 54 -7.892 -2.889 4.258 339 HB3 LYS 54 HB1 LYS 54 -9.062 -3.278 5.512 340 HG2 LYS 54 HG2 LYS 54 -10.835 -3.140 4.093 341 HG3 LYS 54 HG1 LYS 54 -10.056 -1.941 3.059 342 HD2 LYS 54 HD2 LYS 54 -9.156 -4.810 3.214 343 HD3 LYS 54 HD1 LYS 54 -10.355 -4.240 2.052 344 HE2 LYS 54 HE2 LYS 54 -8.361 -2.423 1.709 345 HE3 LYS 54 HE1 LYS 54 -7.443 -3.874 2.105 346 HZ1 LYS 54 HZ1 LYS 54 -9.490 -3.681 -0.038 347 HZ2 LYS 54 HZ2 LYS 54 -8.553 -5.042 0.323 348 HZ3 LYS 54 HZ3 LYS 54 -7.816 -3.645 -0.282 349 H LYS 55 HN LYS 55 -10.324 0.084 6.748 350 HA LYS 55 HA LYS 55 -9.052 0.515 9.043 351 HB2 LYS 55 HB2 LYS 55 -11.436 1.044 8.623 352 HB3 LYS 55 HB1 LYS 55 -11.843 -0.637 8.937 353 HG2 LYS 55 HG2 LYS 55 -12.320 0.418 10.942 354 HG3 LYS 55 HG1 LYS 55 -10.717 -0.268 11.217 355 HD2 LYS 55 HD2 LYS 55 -9.684 1.783 11.175 356 HD3 LYS 55 HD1 LYS 55 -10.924 2.505 10.147 357 HE2 LYS 55 HE2 LYS 55 -11.110 1.874 13.086 358 HE3 LYS 55 HE1 LYS 55 -11.124 3.465 12.326 359 HZ1 LYS 55 HZ1 LYS 55 -13.335 3.198 12.578 360 HZ2 LYS 55 HZ2 LYS 55 -13.263 1.508 12.577 361 HZ3 LYS 55 HZ3 LYS 55 -13.198 2.357 11.115 362 H ALA 56 HN ALA 56 -8.061 -0.559 10.620 363 HA ALA 56 HA ALA 56 -7.291 -3.147 10.554 364 HB1 ALA 56 HB1 ALA 56 -7.330 -2.933 13.185 365 HB2 ALA 56 HB2 ALA 56 -7.661 -1.242 12.802 366 HB3 ALA 56 HB3 ALA 56 -6.193 -2.012 12.200 367 H GLY 57 HN GLY 57 -8.160 -5.085 10.872 368 HA2 GLY 57 HA2 GLY 57 -9.684 -6.490 12.212 369 HA3 GLY 57 HA1 GLY 57 -10.862 -5.189 12.084 370 H THR 58 HN THR 58 -9.639 -4.973 9.189 371 HA THR 58 HA THR 58 -11.706 -6.564 7.962 372 HB THR 58 HB THR 58 -9.520 -4.851 6.750 373 HG1 THR 58 HG1 THR 58 -10.784 -3.331 7.434 374 HG21 THR 58 HG21 THR 58 -10.311 -5.198 4.694 375 HG22 THR 58 HG22 THR 58 -11.984 -5.325 5.240 376 HG23 THR 58 HG23 THR 58 -10.903 -6.712 5.381 377 H VAL 59 HN VAL 59 -11.337 -8.717 7.900 378 HA VAL 59 HA VAL 59 -8.832 -9.942 7.893 379 HB VAL 59 HB VAL 59 -10.860 -11.147 8.546 380 HG11 VAL 59 HG11 VAL 59 -12.589 -11.722 7.110 381 HG12 VAL 59 HG12 VAL 59 -11.616 -11.441 5.666 382 HG13 VAL 59 HG13 VAL 59 -12.199 -10.074 6.616 383 HG21 VAL 59 HG21 VAL 59 -9.612 -12.497 6.161 384 HG22 VAL 59 HG22 VAL 59 -10.336 -13.263 7.575 385 HG23 VAL 59 HG23 VAL 59 -8.829 -12.361 7.736 386 H CYS 60 HN CYS 60 -7.346 -10.128 6.378 387 HA CYS 60 HA CYS 60 -8.164 -9.803 3.562 388 HB2 CYS 60 HB2 CYS 60 -5.294 -9.557 4.206 389 HB3 CYS 60 HB1 CYS 60 -6.295 -8.588 3.134 390 H ARG 61 HN ARG 61 -6.595 -11.859 5.852 391 HA ARG 61 HA ARG 61 -6.480 -13.991 3.894 392 HB2 ARG 61 HB2 ARG 61 -4.278 -12.724 3.765 393 HB3 ARG 61 HB1 ARG 61 -3.956 -13.299 5.393 394 HG2 ARG 61 HG2 ARG 61 -3.862 -15.543 4.696 395 HG3 ARG 61 HG1 ARG 61 -4.575 -15.165 3.127 396 HD2 ARG 61 HD2 ARG 61 -2.035 -15.578 3.269 397 HD3 ARG 61 HD1 ARG 61 -2.616 -14.209 2.327 398 HE ARG 61 HE ARG 61 -1.187 -14.117 4.862 399 HH11 ARG 61 HH11 ARG 61 -2.882 -12.363 2.361 400 HH12 ARG 61 HH12 ARG 61 -2.188 -10.839 2.796 401 HH21 ARG 61 HH21 ARG 61 -0.282 -12.121 5.431 402 HH22 ARG 61 HH22 ARG 61 -0.713 -10.700 4.537 403 H ILE 62 HN ILE 62 -5.760 -16.077 4.927 404 HA ILE 62 HA ILE 62 -5.999 -16.255 7.800 405 HB ILE 62 HB ILE 62 -7.942 -17.879 6.176 406 HG12 ILE 62 HG12 ILE 62 -9.694 -16.278 7.141 407 HG13 ILE 62 HG11 ILE 62 -8.362 -15.165 7.420 408 HG21 ILE 62 HG21 ILE 62 -8.455 -17.177 8.987 409 HG22 ILE 62 HG22 ILE 62 -7.061 -18.218 8.696 410 HG23 ILE 62 HG23 ILE 62 -8.661 -18.710 8.141 411 HD11 ILE 62 HD11 ILE 62 -8.629 -14.428 5.360 412 HD12 ILE 62 HD12 ILE 62 -9.828 -15.678 5.023 413 HD13 ILE 62 HD13 ILE 62 -8.114 -16.007 4.768 414 H ALA 63 HN ALA 63 -4.617 -17.745 8.446 415 HA ALA 63 HA ALA 63 -2.905 -19.177 6.903 416 HB1 ALA 63 HB1 ALA 63 -2.072 -19.727 8.877 417 HB2 ALA 63 HB2 ALA 63 -3.461 -20.762 9.213 418 HB3 ALA 63 HB3 ALA 63 -3.511 -19.051 9.640 419 H ARG 64 HN ARG 64 -5.553 -20.846 8.601 420 HA ARG 64 HA ARG 64 -6.667 -22.098 6.375 421 HB2 ARG 64 HB2 ARG 64 -4.176 -23.110 6.690 422 HB3 ARG 64 HB1 ARG 64 -5.089 -24.217 7.704 423 HG2 ARG 64 HG2 ARG 64 -4.935 -25.154 5.519 424 HG3 ARG 64 HG1 ARG 64 -6.603 -24.638 5.778 425 HD2 ARG 64 HD2 ARG 64 -5.674 -22.410 4.668 426 HD3 ARG 64 HD1 ARG 64 -4.529 -23.546 3.955 427 HE ARG 64 HE ARG 64 -7.009 -24.659 3.559 428 HH11 ARG 64 HH11 ARG 64 -5.439 -21.665 2.696 429 HH12 ARG 64 HH12 ARG 64 -6.349 -21.463 1.237 430 HH21 ARG 64 HH21 ARG 64 -8.207 -24.396 1.639 431 HH22 ARG 64 HH22 ARG 64 -7.921 -23.013 0.637 432 H GLY 65 HN GLY 65 -8.216 -21.231 8.077 433 HA2 GLY 65 HA2 GLY 65 -9.914 -23.007 9.052 434 HA3 GLY 65 HA1 GLY 65 -8.667 -23.087 10.287 435 H ASP 66 HN ASP 66 -8.880 -21.784 11.964 436 HA ASP 66 HA ASP 66 -9.764 -19.100 11.781 437 HB2 ASP 66 HB2 ASP 66 -11.831 -19.438 13.229 438 HB3 ASP 66 HB1 ASP 66 -11.975 -19.925 11.543 439 H TRP 67 HN TRP 67 -7.752 -18.983 12.889 440 HA TRP 67 HA TRP 67 -7.939 -19.654 15.754 441 HB2 TRP 67 HB2 TRP 67 -5.224 -19.275 15.102 442 HB3 TRP 67 HB1 TRP 67 -6.019 -20.789 15.509 443 HD1 TRP 67 HD1 TRP 67 -5.294 -18.654 12.350 444 HE1 TRP 67 HE1 TRP 67 -5.004 -20.262 10.370 445 HE3 TRP 67 HE3 TRP 67 -6.321 -23.049 14.726 446 HZ2 TRP 67 HZ2 TRP 67 -5.183 -23.029 9.876 447 HZ3 TRP 67 HZ3 TRP 67 -6.240 -25.142 13.429 448 HH2 TRP 67 HH2 TRP 67 -5.681 -25.130 11.051 449 H ASN 68 HN ASN 68 -5.894 -17.617 13.717 450 HA ASN 68 HA ASN 68 -6.451 -15.350 15.514 451 HB2 ASN 68 HB2 ASN 68 -4.027 -15.437 13.751 452 HB3 ASN 68 HB1 ASN 68 -4.268 -14.580 15.269 453 HD21 ASN 68 HD21 ASN 68 -3.847 -17.779 13.860 454 HD22 ASN 68 HD22 ASN 68 -3.118 -18.496 15.253 455 H ASP 69 HN ASP 69 -6.065 -16.421 12.194 456 HA ASP 69 HA ASP 69 -6.800 -15.587 10.212 457 HB2 ASP 69 HB2 ASP 69 -8.598 -14.251 12.179 458 HB3 ASP 69 HB1 ASP 69 -8.619 -13.699 10.508 459 H ASP 70 HN ASP 70 -6.074 -14.117 8.765 460 HA ASP 70 HA ASP 70 -4.276 -12.097 9.692 461 HB2 ASP 70 HB2 ASP 70 -4.128 -13.495 7.516 462 HB3 ASP 70 HB1 ASP 70 -5.268 -12.328 6.866 463 H TYR 71 HN TYR 71 -4.630 -9.959 9.976 464 HA TYR 71 HA TYR 71 -7.129 -8.849 8.921 465 HB2 TYR 71 HB2 TYR 71 -6.277 -9.016 11.774 466 HB3 TYR 71 HB1 TYR 71 -7.264 -7.657 11.236 467 HD1 TYR 71 HD2 TYR 71 -9.389 -8.225 9.948 468 HD2 TYR 71 HD1 TYR 71 -7.295 -11.024 12.345 469 HE1 TYR 71 HE2 TYR 71 -11.420 -9.584 10.090 470 HE2 TYR 71 HE1 TYR 71 -9.304 -12.420 12.490 471 HH TYR 71 HH TYR 71 -11.440 -12.746 11.043 472 H CYS 72 HN CYS 72 -7.207 -6.722 8.522 473 HA CYS 72 HA CYS 72 -4.827 -5.372 7.863 474 HB2 CYS 72 HB2 CYS 72 -7.705 -4.881 7.758 475 HB3 CYS 72 HB1 CYS 72 -6.780 -3.417 8.075 476 H THR 73 HN THR 73 -4.138 -3.268 8.742 477 HA THR 73 HA THR 73 -4.606 -3.089 11.645 478 HB THR 73 HB THR 73 -2.319 -2.412 11.955 479 HG1 THR 73 HG1 THR 73 -2.014 -2.637 9.146 480 HG21 THR 73 HG21 THR 73 -1.517 -4.509 10.176 481 HG22 THR 73 HG22 THR 73 -3.007 -4.947 11.015 482 HG23 THR 73 HG23 THR 73 -1.575 -4.492 11.939 483 H GLY 74 HN GLY 74 -5.137 -1.554 8.761 484 HA2 GLY 74 HA2 GLY 74 -5.760 0.575 8.190 485 HA3 GLY 74 HA1 GLY 74 -6.135 0.789 9.893 486 H LYS 75 HN LYS 75 -2.882 -0.025 9.140 487 HA LYS 75 HA LYS 75 -2.078 2.797 9.243 488 HB2 LYS 75 HB2 LYS 75 -0.630 0.680 10.818 489 HB3 LYS 75 HB1 LYS 75 -0.477 2.428 10.942 490 HG2 LYS 75 HG2 LYS 75 -3.144 1.951 11.503 491 HG3 LYS 75 HG1 LYS 75 -2.292 0.623 12.291 492 HD2 LYS 75 HD2 LYS 75 -0.707 2.566 13.094 493 HD3 LYS 75 HD1 LYS 75 -2.139 3.553 12.798 494 HE2 LYS 75 HE2 LYS 75 -1.960 2.742 15.136 495 HE3 LYS 75 HE1 LYS 75 -3.437 2.228 14.323 496 HZ1 LYS 75 HZ1 LYS 75 -2.102 0.522 15.682 497 HZ2 LYS 75 HZ2 LYS 75 -1.068 0.476 14.345 498 HZ3 LYS 75 HZ3 LYS 75 -2.698 0.061 14.167 499 H SER 76 HN SER 76 -2.067 0.215 7.390 500 HA SER 76 HA SER 76 0.110 1.016 5.803 501 HB2 SER 76 HB2 SER 76 1.240 -1.397 6.172 502 HB3 SER 76 HB1 SER 76 1.745 0.038 7.065 503 HG SER 76 HG SER 76 0.821 -0.715 8.834 504 H SER 77 HN SER 77 0.515 -0.597 4.003 505 HA SER 77 HA SER 77 -2.052 -1.643 3.144 506 HB2 SER 77 HB2 SER 77 0.134 -0.483 1.830 507 HB3 SER 77 HB1 SER 77 0.129 -2.168 1.308 508 HG SER 77 HG SER 77 -1.317 -0.351 0.289 509 H ASP 78 HN ASP 78 -0.015 -2.899 5.184 510 HA ASP 78 HA ASP 78 0.206 -5.537 3.932 511 HB2 ASP 78 HB2 ASP 78 1.509 -4.376 6.400 512 HB3 ASP 78 HB1 ASP 78 1.686 -6.054 5.896 513 H CYS 79 HN CYS 79 -0.575 -7.385 4.913 514 HA CYS 79 HA CYS 79 -2.496 -6.983 7.116 515 HB2 CYS 79 HB2 CYS 79 -2.823 -8.448 4.509 516 HB3 CYS 79 HB1 CYS 79 -3.767 -8.913 5.921 517 HA PRO 80 HA PRO 80 0.364 -10.243 8.532 518 HB2 PRO 80 HB2 PRO 80 0.009 -9.830 11.166 519 HB3 PRO 80 HB1 PRO 80 1.017 -8.763 10.180 520 HG2 PRO 80 HG2 PRO 80 -1.818 -8.387 11.077 521 HG3 PRO 80 HG1 PRO 80 -0.478 -7.225 11.097 522 HD2 PRO 80 HD2 PRO 80 -2.370 -7.250 9.152 523 HD3 PRO 80 HD1 PRO 80 -0.696 -6.743 8.857 524 H TRP 81 HN TRP 81 -0.183 -12.315 8.660 525 HA TRP 81 HA TRP 81 -2.660 -13.451 8.696 526 HB2 TRP 81 HB2 TRP 81 -0.842 -15.084 10.287 527 HB3 TRP 81 HB1 TRP 81 -1.570 -15.417 8.723 528 HD1 TRP 81 HD1 TRP 81 1.500 -13.525 10.171 529 HE1 TRP 81 HE1 TRP 81 3.379 -13.640 8.412 530 HE3 TRP 81 HE3 TRP 81 -1.053 -15.862 6.452 531 HZ2 TRP 81 HZ2 TRP 81 3.720 -14.611 5.775 532 HZ3 TRP 81 HZ3 TRP 81 0.106 -16.363 4.332 533 HH2 TRP 81 HH2 TRP 81 2.448 -15.745 4.004 534 H ASN 82 HN ASN 82 -0.853 -12.311 11.407 535 HA ASN 82 HA ASN 82 -1.582 -11.660 13.494 536 HB2 ASN 82 HB2 ASN 82 -4.077 -13.213 12.791 537 HB3 ASN 82 HB1 ASN 82 -3.802 -12.502 14.373 538 HD21 ASN 82 HD21 ASN 82 -4.163 -10.389 14.680 539 HD22 ASN 82 HD22 ASN 82 -4.692 -9.298 13.449 540 H HIS 83 HN HIS 83 -0.033 -13.993 12.640 541 HA HIS 83 HA HIS 83 -0.577 -15.881 14.821 542 HB2 HIS 83 HB2 HIS 83 1.371 -16.234 12.539 543 HB3 HIS 83 HB1 HIS 83 0.763 -17.473 13.633 544 HD1 HIS 83 HD1 HIS 83 0.505 -17.452 10.448 545 HD2 HIS 83 HD2 HIS 83 -2.466 -16.482 13.185 546 HE1 HIS 83 HE1 HIS 83 -1.670 -17.803 9.235 547 HE2 HIS 83 HE2 HIS 83 -3.450 -17.133 10.884 Start of MODEL 5 1 H1 SER 1 HT1 SER 1 11.352 -4.281 -12.337 2 H2 SER 1 HT2 SER 1 11.093 -3.829 -10.701 3 H3 SER 1 HT3 SER 1 12.558 -4.596 -11.161 4 HA SER 1 HA SER 1 13.051 -2.709 -12.590 5 HB2 SER 1 HB2 SER 1 10.392 -1.924 -11.505 6 HB3 SER 1 HB1 SER 1 11.588 -0.642 -11.700 7 HG SER 1 HG SER 1 10.542 -2.375 -13.678 8 HA PRO 2 HA PRO 2 15.495 -1.602 -9.080 9 HB2 PRO 2 HB2 PRO 2 16.719 0.629 -9.992 10 HB3 PRO 2 HB1 PRO 2 17.110 -0.983 -10.601 11 HG2 PRO 2 HG2 PRO 2 15.347 1.119 -11.800 12 HG3 PRO 2 HG1 PRO 2 16.548 0.081 -12.592 13 HD2 PRO 2 HD2 PRO 2 13.880 -0.430 -12.660 14 HD3 PRO 2 HD1 PRO 2 15.109 -1.710 -12.707 15 HA PRO 3 HA PRO 3 13.474 1.644 -6.834 16 HB2 PRO 3 HB2 PRO 3 15.677 2.244 -5.152 17 HB3 PRO 3 HB1 PRO 3 14.402 1.063 -4.855 18 HG2 PRO 3 HG2 PRO 3 17.092 0.476 -5.298 19 HG3 PRO 3 HG1 PRO 3 15.749 -0.674 -5.409 20 HD2 PRO 3 HD2 PRO 3 17.175 0.797 -7.582 21 HD3 PRO 3 HD1 PRO 3 16.517 -0.855 -7.578 22 H VAL 4 HN VAL 4 13.409 3.186 -8.622 23 HA VAL 4 HA VAL 4 15.343 5.386 -8.266 24 HB VAL 4 HB VAL 4 14.441 5.920 -10.722 25 HG11 VAL 4 HG11 VAL 4 16.469 4.693 -11.572 26 HG12 VAL 4 HG12 VAL 4 16.679 4.068 -9.936 27 HG13 VAL 4 HG13 VAL 4 16.759 5.805 -10.234 28 HG21 VAL 4 HG21 VAL 4 13.049 3.768 -10.570 29 HG22 VAL 4 HG22 VAL 4 14.579 2.924 -10.807 30 HG23 VAL 4 HG23 VAL 4 13.989 4.042 -12.037 31 H CYS 5 HN CYS 5 14.450 7.064 -7.297 32 HA CYS 5 HA CYS 5 11.584 7.459 -7.317 33 HB2 CYS 5 HB2 CYS 5 13.814 8.340 -5.707 34 HB3 CYS 5 HB1 CYS 5 12.882 9.739 -6.228 35 H GLY 6 HN GLY 6 10.764 8.200 -9.168 36 HA2 GLY 6 HA2 GLY 6 10.328 10.232 -10.447 37 HA3 GLY 6 HA1 GLY 6 12.061 10.547 -10.397 38 H ASN 7 HN ASN 7 10.781 7.367 -10.890 39 HA ASN 7 HA ASN 7 11.520 7.465 -13.736 40 HB2 ASN 7 HB2 ASN 7 12.377 5.590 -11.575 41 HB3 ASN 7 HB1 ASN 7 12.089 4.915 -13.178 42 HD21 ASN 7 HD21 ASN 7 13.887 4.710 -14.277 43 HD22 ASN 7 HD22 ASN 7 15.225 5.804 -14.269 44 H LYS 8 HN LYS 8 9.064 7.222 -11.673 45 HA LYS 8 HA LYS 8 6.909 6.596 -11.919 46 HB2 LYS 8 HB2 LYS 8 7.641 5.169 -14.473 47 HB3 LYS 8 HB1 LYS 8 6.060 5.758 -13.983 48 HG2 LYS 8 HG2 LYS 8 6.622 7.981 -14.404 49 HG3 LYS 8 HG1 LYS 8 8.353 7.638 -14.403 50 HD2 LYS 8 HD2 LYS 8 8.170 6.450 -16.489 51 HD3 LYS 8 HD1 LYS 8 6.411 6.593 -16.461 52 HE2 LYS 8 HE2 LYS 8 6.444 8.804 -17.052 53 HE3 LYS 8 HE1 LYS 8 8.027 9.085 -16.329 54 HZ1 LYS 8 HZ1 LYS 8 7.912 7.295 -18.632 55 HZ2 LYS 8 HZ2 LYS 8 9.099 8.417 -18.192 56 HZ3 LYS 8 HZ3 LYS 8 7.671 8.944 -18.929 57 H ILE 9 HN ILE 9 9.258 4.869 -10.931 58 HA ILE 9 HA ILE 9 7.757 2.334 -10.816 59 HB ILE 9 HB ILE 9 10.478 1.959 -10.008 60 HG12 ILE 9 HG12 ILE 9 10.156 3.136 -12.775 61 HG13 ILE 9 HG11 ILE 9 11.026 3.868 -11.428 62 HG21 ILE 9 HG21 ILE 9 10.148 0.573 -12.346 63 HG22 ILE 9 HG22 ILE 9 8.495 0.762 -11.761 64 HG23 ILE 9 HG23 ILE 9 9.714 0.008 -10.733 65 HD11 ILE 9 HD11 ILE 9 11.746 1.353 -12.905 66 HD12 ILE 9 HD12 ILE 9 12.552 1.910 -11.438 67 HD13 ILE 9 HD13 ILE 9 12.613 2.889 -12.905 68 H LEU 10 HN LEU 10 6.704 2.399 -8.902 69 HA LEU 10 HA LEU 10 7.686 3.726 -6.597 70 HB2 LEU 10 HB2 LEU 10 5.930 2.243 -5.428 71 HB3 LEU 10 HB1 LEU 10 5.379 3.442 -6.582 72 HG LEU 10 HG LEU 10 5.881 0.825 -7.792 73 HD11 LEU 10 HD11 LEU 10 3.729 -0.103 -6.850 74 HD12 LEU 10 HD12 LEU 10 3.867 1.114 -5.581 75 HD13 LEU 10 HD13 LEU 10 5.120 -0.113 -5.765 76 HD21 LEU 10 HD21 LEU 10 3.383 1.386 -8.424 77 HD22 LEU 10 HD22 LEU 10 4.734 2.228 -9.183 78 HD23 LEU 10 HD23 LEU 10 3.848 2.993 -7.864 79 H GLU 11 HN GLU 11 9.888 2.715 -6.937 80 HA GLU 11 HA GLU 11 10.063 0.221 -5.385 81 HB2 GLU 11 HB2 GLU 11 10.627 -0.198 -7.724 82 HB3 GLU 11 HB1 GLU 11 11.818 1.093 -7.684 83 HG2 GLU 11 HG2 GLU 11 12.887 -1.070 -7.519 84 HG3 GLU 11 HG1 GLU 11 13.116 -0.149 -6.033 85 H GLN 12 HN GLN 12 11.676 3.250 -6.287 86 HA GLN 12 HA GLN 12 13.778 3.040 -4.401 87 HB2 GLN 12 HB2 GLN 12 13.357 4.659 -6.456 88 HB3 GLN 12 HB1 GLN 12 12.742 5.715 -5.196 89 HG2 GLN 12 HG2 GLN 12 15.405 4.437 -4.840 90 HG3 GLN 12 HG1 GLN 12 15.246 5.818 -5.923 91 HE21 GLN 12 HE21 GLN 12 15.584 7.713 -5.030 92 HE22 GLN 12 HE22 GLN 12 15.372 8.111 -3.363 93 H GLY 13 HN GLY 13 12.133 2.209 -2.695 94 HA2 GLY 13 HA2 GLY 13 10.828 2.556 -0.809 95 HA3 GLY 13 HA1 GLY 13 12.154 3.643 -0.440 96 H GLU 14 HN GLU 14 9.735 4.081 -2.978 97 HA GLU 14 HA GLU 14 9.015 6.617 -1.721 98 HB2 GLU 14 HB2 GLU 14 7.890 7.086 -3.922 99 HB3 GLU 14 HB1 GLU 14 9.632 6.889 -3.991 100 HG2 GLU 14 HG2 GLU 14 8.726 4.346 -4.462 101 HG3 GLU 14 HG1 GLU 14 7.521 5.349 -5.265 102 H ASP 15 HN ASP 15 7.350 3.869 -3.262 103 HA ASP 15 HA ASP 15 5.370 2.848 -2.766 104 HB2 ASP 15 HB2 ASP 15 5.035 4.714 -0.420 105 HB3 ASP 15 HB1 ASP 15 4.334 3.115 -0.646 106 H CYS 16 HN CYS 16 5.804 5.707 -3.999 107 HA CYS 16 HA CYS 16 3.456 6.044 -5.296 108 HB2 CYS 16 HB2 CYS 16 3.219 7.000 -2.545 109 HB3 CYS 16 HB1 CYS 16 2.815 8.226 -3.740 110 H ASP 17 HN ASP 17 5.260 6.528 -6.673 111 HA ASP 17 HA ASP 17 5.918 9.387 -6.601 112 HB2 ASP 17 HB2 ASP 17 7.887 8.307 -5.735 113 HB3 ASP 17 HB1 ASP 17 7.858 7.114 -7.026 114 H CYS 18 HN CYS 18 6.253 10.352 -8.594 115 HA CYS 18 HA CYS 18 5.287 8.806 -10.902 116 HB2 CYS 18 HB2 CYS 18 5.198 11.781 -10.372 117 HB3 CYS 18 HB1 CYS 18 4.678 11.011 -11.864 118 H GLY 19 HN GLY 19 6.249 9.343 -12.995 119 HA2 GLY 19 HA2 GLY 19 9.039 9.249 -12.988 120 HA3 GLY 19 HA1 GLY 19 8.052 9.652 -14.386 121 H SER 20 HN SER 20 6.887 12.003 -13.622 122 HA SER 20 HA SER 20 9.079 13.798 -12.883 123 HB2 SER 20 HB2 SER 20 9.224 13.919 -15.242 124 HB3 SER 20 HB1 SER 20 7.470 13.911 -15.430 125 HG SER 20 HG SER 20 9.056 15.995 -14.335 126 HA PRO 21 HA PRO 21 5.976 15.431 -10.119 127 HB2 PRO 21 HB2 PRO 21 7.509 17.937 -10.675 128 HB3 PRO 21 HB1 PRO 21 6.973 17.267 -9.129 129 HG2 PRO 21 HG2 PRO 21 9.510 17.034 -9.904 130 HG3 PRO 21 HG1 PRO 21 8.688 15.711 -9.056 131 HD2 PRO 21 HD2 PRO 21 9.430 15.949 -11.923 132 HD3 PRO 21 HD1 PRO 21 9.289 14.502 -10.906 133 H ALA 22 HN ALA 22 6.786 16.872 -13.216 134 HA ALA 22 HA ALA 22 4.402 18.516 -13.265 135 HB1 ALA 22 HB1 ALA 22 5.972 19.653 -14.436 136 HB2 ALA 22 HB2 ALA 22 5.319 18.707 -15.773 137 HB3 ALA 22 HB3 ALA 22 6.798 18.188 -14.965 138 H ASN 23 HN ASN 23 5.476 15.427 -14.456 139 HA ASN 23 HA ASN 23 2.960 15.106 -15.941 140 HB2 ASN 23 HB2 ASN 23 5.603 13.660 -16.157 141 HB3 ASN 23 HB1 ASN 23 4.138 13.109 -16.964 142 HD21 ASN 23 HD21 ASN 23 6.717 15.369 -16.960 143 HD22 ASN 23 HD22 ASN 23 6.319 16.162 -18.442 144 H CYS 24 HN CYS 24 3.487 14.842 -12.985 145 HA CYS 24 HA CYS 24 3.361 12.118 -12.287 146 HB2 CYS 24 HB2 CYS 24 4.059 13.898 -10.724 147 HB3 CYS 24 HB1 CYS 24 2.410 14.513 -10.713 148 H GLN 25 HN GLN 25 1.816 11.189 -13.612 149 HA GLN 25 HA GLN 25 -0.938 12.071 -13.459 150 HB2 GLN 25 HB2 GLN 25 -1.397 10.295 -15.056 151 HB3 GLN 25 HB1 GLN 25 -0.009 11.238 -15.581 152 HG2 GLN 25 HG2 GLN 25 1.426 9.443 -14.503 153 HG3 GLN 25 HG1 GLN 25 -0.048 8.480 -14.403 154 HE21 GLN 25 HE21 GLN 25 2.525 9.493 -16.359 155 HE22 GLN 25 HE22 GLN 25 2.004 8.771 -17.840 156 H ASP 26 HN ASP 26 -0.133 11.445 -10.941 157 HA ASP 26 HA ASP 26 -1.767 9.092 -10.364 158 HB2 ASP 26 HB2 ASP 26 0.901 9.598 -9.030 159 HB3 ASP 26 HB1 ASP 26 -0.181 8.240 -8.740 160 H ARG 27 HN ARG 27 -3.423 10.311 -9.566 161 HA ARG 27 HA ARG 27 -3.138 12.557 -7.900 162 HB2 ARG 27 HB2 ARG 27 -5.172 12.074 -9.179 163 HB3 ARG 27 HB1 ARG 27 -5.478 10.666 -8.171 164 HG2 ARG 27 HG2 ARG 27 -5.668 12.163 -6.210 165 HG3 ARG 27 HG1 ARG 27 -5.482 13.545 -7.291 166 HD2 ARG 27 HD2 ARG 27 -7.575 13.347 -8.123 167 HD3 ARG 27 HD1 ARG 27 -7.554 11.586 -8.042 168 HE ARG 27 HE ARG 27 -7.680 12.837 -5.464 169 HH11 ARG 27 HH11 ARG 27 -9.564 11.757 -8.196 170 HH12 ARG 27 HH12 ARG 27 -11.019 11.567 -7.276 171 HH21 ARG 27 HH21 ARG 27 -9.593 12.587 -4.253 172 HH22 ARG 27 HH22 ARG 27 -11.036 12.038 -5.038 173 H CYS 28 HN CYS 28 -2.865 9.206 -7.228 174 HA CYS 28 HA CYS 28 -3.209 9.673 -4.352 175 HB2 CYS 28 HB2 CYS 28 -3.025 7.071 -5.885 176 HB3 CYS 28 HB1 CYS 28 -3.276 7.215 -4.148 177 H CYS 29 HN CYS 29 -0.790 9.672 -6.611 178 HA CYS 29 HA CYS 29 1.224 9.116 -4.555 179 HB2 CYS 29 HB2 CYS 29 1.313 8.076 -7.394 180 HB3 CYS 29 HB1 CYS 29 2.633 7.967 -6.239 181 H ASN 30 HN ASN 30 2.653 10.724 -4.385 182 HA ASN 30 HA ASN 30 2.876 12.623 -6.628 183 HB2 ASN 30 HB2 ASN 30 1.881 13.600 -4.613 184 HB3 ASN 30 HB1 ASN 30 3.285 13.111 -3.672 185 HD21 ASN 30 HD21 ASN 30 4.484 14.792 -3.205 186 HD22 ASN 30 HD22 ASN 30 4.857 16.107 -4.259 187 H ALA 31 HN ALA 31 4.787 12.977 -7.542 188 HA ALA 31 HA ALA 31 7.036 11.354 -6.853 189 HB1 ALA 31 HB1 ALA 31 6.182 12.832 -9.099 190 HB2 ALA 31 HB2 ALA 31 7.562 11.743 -8.977 191 HB3 ALA 31 HB3 ALA 31 7.764 13.462 -8.643 192 H ALA 32 HN ALA 32 6.268 14.793 -6.597 193 HA ALA 32 HA ALA 32 8.716 15.779 -5.755 194 HB1 ALA 32 HB1 ALA 32 7.574 17.680 -5.656 195 HB2 ALA 32 HB2 ALA 32 6.585 17.077 -4.326 196 HB3 ALA 32 HB3 ALA 32 6.109 16.758 -5.993 197 H THR 33 HN THR 33 6.579 13.677 -4.084 198 HA THR 33 HA THR 33 8.094 14.100 -1.592 199 HB THR 33 HB THR 33 5.645 14.686 -1.488 200 HG1 THR 33 HG1 THR 33 6.166 14.234 0.491 201 HG21 THR 33 HG21 THR 33 5.088 12.558 -2.955 202 HG22 THR 33 HG22 THR 33 3.958 13.190 -1.759 203 HG23 THR 33 HG23 THR 33 4.971 11.801 -1.367 204 H CYS 34 HN CYS 34 7.246 11.946 -4.095 205 HA CYS 34 HA CYS 34 7.653 9.757 -4.482 206 HB2 CYS 34 HB2 CYS 34 9.785 10.514 -2.531 207 HB3 CYS 34 HB1 CYS 34 9.563 8.805 -2.887 208 H LYS 35 HN LYS 35 5.575 10.502 -2.706 209 HA LYS 35 HA LYS 35 5.171 7.968 -1.348 210 HB2 LYS 35 HB2 LYS 35 5.046 10.576 0.185 211 HB3 LYS 35 HB1 LYS 35 4.598 8.996 0.808 212 HG2 LYS 35 HG2 LYS 35 7.368 9.662 -0.149 213 HG3 LYS 35 HG1 LYS 35 6.839 9.856 1.521 214 HD2 LYS 35 HD2 LYS 35 6.095 7.253 0.619 215 HD3 LYS 35 HD1 LYS 35 7.799 7.518 0.247 216 HE2 LYS 35 HE2 LYS 35 7.245 6.520 2.524 217 HE3 LYS 35 HE1 LYS 35 8.344 7.899 2.495 218 HZ1 LYS 35 HZ1 LYS 35 6.799 9.269 3.433 219 HZ2 LYS 35 HZ2 LYS 35 6.350 7.808 4.157 220 HZ3 LYS 35 HZ3 LYS 35 5.475 8.400 2.836 221 H LEU 36 HN LEU 36 2.918 8.102 -0.177 222 HA LEU 36 HA LEU 36 0.985 8.584 -2.155 223 HB2 LEU 36 HB2 LEU 36 0.729 8.154 0.817 224 HB3 LEU 36 HB1 LEU 36 -0.652 8.265 -0.258 225 HG LEU 36 HG LEU 36 1.368 6.288 -1.074 226 HD11 LEU 36 HD11 LEU 36 -0.089 6.068 1.540 227 HD12 LEU 36 HD12 LEU 36 1.620 5.797 1.201 228 HD13 LEU 36 HD13 LEU 36 0.414 4.646 0.626 229 HD21 LEU 36 HD21 LEU 36 -1.600 6.025 -0.638 230 HD22 LEU 36 HD22 LEU 36 -0.557 4.996 -1.620 231 HD23 LEU 36 HD23 LEU 36 -0.879 6.658 -2.118 232 H THR 37 HN THR 37 -0.358 10.263 -2.575 233 HA THR 37 HA THR 37 0.344 12.833 -1.509 234 HB THR 37 HB THR 37 -1.110 13.746 -3.136 235 HG1 THR 37 HG1 THR 37 -3.002 12.779 -3.035 236 HG21 THR 37 HG21 THR 37 -0.675 11.443 -4.831 237 HG22 THR 37 HG22 THR 37 0.770 11.895 -3.926 238 HG23 THR 37 HG23 THR 37 -0.034 13.081 -4.955 239 HA PRO 38 HA PRO 38 -2.516 13.528 1.754 240 HB2 PRO 38 HB2 PRO 38 -3.667 15.785 0.184 241 HB3 PRO 38 HB1 PRO 38 -3.041 15.767 1.836 242 HG2 PRO 38 HG2 PRO 38 -1.617 16.841 -0.139 243 HG3 PRO 38 HG1 PRO 38 -0.831 15.901 1.142 244 HD2 PRO 38 HD2 PRO 38 -1.441 15.129 -1.676 245 HD3 PRO 38 HD1 PRO 38 -0.046 14.703 -0.664 246 H GLY 39 HN GLY 39 -4.254 12.320 2.153 247 HA2 GLY 39 HA2 GLY 39 -6.651 12.056 1.959 248 HA3 GLY 39 HA1 GLY 39 -6.501 12.420 0.246 249 H SER 40 HN SER 40 -4.272 10.729 -0.286 250 HA SER 40 HA SER 40 -5.651 8.145 -0.219 251 HB2 SER 40 HB2 SER 40 -3.428 9.216 -1.965 252 HB3 SER 40 HB1 SER 40 -3.956 7.533 -2.001 253 HG SER 40 HG SER 40 -5.002 9.565 -3.297 254 H GLN 41 HN GLN 41 -4.880 6.436 0.866 255 HA GLN 41 HA GLN 41 -2.276 6.741 2.206 256 HB2 GLN 41 HB2 GLN 41 -4.711 5.158 3.042 257 HB3 GLN 41 HB1 GLN 41 -3.170 5.139 3.889 258 HG2 GLN 41 HG2 GLN 41 -4.207 7.825 3.461 259 HG3 GLN 41 HG1 GLN 41 -5.280 6.803 4.416 260 HE21 GLN 41 HE21 GLN 41 -3.566 9.143 5.101 261 HE22 GLN 41 HE22 GLN 41 -2.602 8.613 6.433 262 H CYS 42 HN CYS 42 -4.113 4.815 0.023 263 HA CYS 42 HA CYS 42 -1.997 2.761 0.048 264 HB2 CYS 42 HB2 CYS 42 -3.506 1.120 -0.088 265 HB3 CYS 42 HB1 CYS 42 -4.624 2.315 0.547 266 H ASN 43 HN ASN 43 -2.051 1.539 -2.107 267 HA ASN 43 HA ASN 43 -2.734 2.783 -4.517 268 HB2 ASN 43 HB2 ASN 43 -1.055 4.448 -3.978 269 HB3 ASN 43 HB1 ASN 43 0.135 3.193 -3.641 270 HD21 ASN 43 HD21 ASN 43 1.625 3.347 -5.163 271 HD22 ASN 43 HD22 ASN 43 1.330 3.426 -6.863 272 H TYR 44 HN TYR 44 -0.598 0.700 -2.724 273 HA TYR 44 HA TYR 44 -1.150 -1.505 -4.487 274 HB2 TYR 44 HB2 TYR 44 0.948 -1.892 -5.341 275 HB3 TYR 44 HB1 TYR 44 1.012 -0.136 -5.248 276 HD1 TYR 44 HD1 TYR 44 1.935 -3.221 -3.403 277 HD2 TYR 44 HD2 TYR 44 2.692 0.920 -4.000 278 HE1 TYR 44 HE1 TYR 44 3.922 -3.391 -1.983 279 HE2 TYR 44 HE2 TYR 44 4.693 0.767 -2.582 280 HH TYR 44 HH TYR 44 6.226 -1.928 -1.849 281 H GLY 45 HN GLY 45 -1.073 -3.439 -3.373 282 HA2 GLY 45 HA2 GLY 45 0.079 -4.660 -1.497 283 HA3 GLY 45 HA1 GLY 45 -0.272 -3.231 -0.537 284 H GLU 46 HN GLU 46 -1.083 -5.750 0.265 285 HA GLU 46 HA GLU 46 -3.641 -6.549 -0.505 286 HB2 GLU 46 HB2 GLU 46 -1.882 -6.994 1.822 287 HB3 GLU 46 HB1 GLU 46 -3.595 -7.278 2.104 288 HG2 GLU 46 HG2 GLU 46 -3.204 -9.323 1.331 289 HG3 GLU 46 HG1 GLU 46 -3.187 -8.571 -0.264 290 H CYS 47 HN CYS 47 -2.684 -4.332 2.118 291 HA CYS 47 HA CYS 47 -5.360 -3.903 2.986 292 HB2 CYS 47 HB2 CYS 47 -2.817 -2.366 3.499 293 HB3 CYS 47 HB1 CYS 47 -4.356 -1.973 4.253 294 H CYS 48 HN CYS 48 -3.604 -2.634 0.333 295 HA CYS 48 HA CYS 48 -4.797 -0.090 0.209 296 HB2 CYS 48 HB2 CYS 48 -2.792 -0.511 -1.043 297 HB3 CYS 48 HB1 CYS 48 -3.560 -1.827 -1.926 298 H ASP 49 HN ASP 49 -6.741 0.533 -0.321 299 HA ASP 49 HA ASP 49 -8.324 -0.865 -2.283 300 HB2 ASP 49 HB2 ASP 49 -8.681 -1.728 0.266 301 HB3 ASP 49 HB1 ASP 49 -9.839 -0.402 0.218 302 H GLN 50 HN GLN 50 -8.829 0.794 -3.559 303 HA GLN 50 HA GLN 50 -9.643 2.790 -4.288 304 HB2 GLN 50 HB2 GLN 50 -11.508 2.041 -2.644 305 HB3 GLN 50 HB1 GLN 50 -10.849 3.274 -1.579 306 HG2 GLN 50 HG2 GLN 50 -11.615 4.982 -2.848 307 HG3 GLN 50 HG1 GLN 50 -11.434 4.090 -4.357 308 HE21 GLN 50 HE21 GLN 50 -13.463 4.621 -1.566 309 HE22 GLN 50 HE22 GLN 50 -14.909 3.965 -2.246 310 H CYS 51 HN CYS 51 -7.049 2.787 -3.402 311 HA CYS 51 HA CYS 51 -5.336 4.156 -2.807 312 HB2 CYS 51 HB2 CYS 51 -7.506 6.175 -3.306 313 HB3 CYS 51 HB1 CYS 51 -5.898 6.665 -2.780 314 H ARG 52 HN ARG 52 -7.222 3.035 -0.759 315 HA ARG 52 HA ARG 52 -6.204 4.601 1.484 316 HB2 ARG 52 HB2 ARG 52 -8.879 4.780 0.665 317 HB3 ARG 52 HB1 ARG 52 -8.899 3.709 2.059 318 HG2 ARG 52 HG2 ARG 52 -7.759 5.391 3.392 319 HG3 ARG 52 HG1 ARG 52 -7.681 6.462 1.991 320 HD2 ARG 52 HD2 ARG 52 -9.869 7.029 2.133 321 HD3 ARG 52 HD1 ARG 52 -10.355 5.436 2.711 322 HE ARG 52 HE ARG 52 -8.851 6.817 4.681 323 HH11 ARG 52 HH11 ARG 52 -12.012 6.692 3.208 324 HH12 ARG 52 HH12 ARG 52 -12.825 7.319 4.603 325 HH21 ARG 52 HH21 ARG 52 -9.918 7.640 6.517 326 HH22 ARG 52 HH22 ARG 52 -11.636 7.858 6.482 327 H PHE 53 HN PHE 53 -5.566 3.355 3.182 328 HA PHE 53 HA PHE 53 -5.280 0.579 2.801 329 HB2 PHE 53 HB2 PHE 53 -4.878 2.336 5.216 330 HB3 PHE 53 HB1 PHE 53 -4.588 0.598 5.262 331 HD1 PHE 53 HD2 PHE 53 -3.410 0.164 2.599 332 HD2 PHE 53 HD1 PHE 53 -2.759 3.259 5.443 333 HE1 PHE 53 HE2 PHE 53 -1.159 0.510 1.692 334 HE2 PHE 53 HE1 PHE 53 -0.498 3.618 4.538 335 HZ PHE 53 HZ PHE 53 0.308 2.241 2.659 336 H LYS 54 HN LYS 54 -6.211 -1.172 3.798 337 HA LYS 54 HA LYS 54 -9.000 -0.938 4.342 338 HB2 LYS 54 HB2 LYS 54 -7.025 -3.111 4.101 339 HB3 LYS 54 HB1 LYS 54 -8.346 -3.445 5.211 340 HG2 LYS 54 HG2 LYS 54 -9.886 -3.565 3.564 341 HG3 LYS 54 HG1 LYS 54 -9.091 -2.333 2.581 342 HD2 LYS 54 HD2 LYS 54 -7.242 -4.242 2.403 343 HD3 LYS 54 HD1 LYS 54 -8.652 -5.266 2.683 344 HE2 LYS 54 HE2 LYS 54 -9.628 -3.579 0.812 345 HE3 LYS 54 HE1 LYS 54 -7.928 -3.626 0.345 346 HZ1 LYS 54 HZ1 LYS 54 -9.416 -5.342 -0.701 347 HZ2 LYS 54 HZ2 LYS 54 -9.519 -6.080 0.817 348 HZ3 LYS 54 HZ3 LYS 54 -8.021 -5.943 0.044 349 H LYS 55 HN LYS 55 -9.585 0.109 6.139 350 HA LYS 55 HA LYS 55 -8.412 0.702 8.429 351 HB2 LYS 55 HB2 LYS 55 -10.768 1.213 7.924 352 HB3 LYS 55 HB1 LYS 55 -11.204 -0.447 8.307 353 HG2 LYS 55 HG2 LYS 55 -11.753 0.794 10.213 354 HG3 LYS 55 HG1 LYS 55 -10.236 -0.015 10.612 355 HD2 LYS 55 HD2 LYS 55 -9.011 1.940 10.501 356 HD3 LYS 55 HD1 LYS 55 -10.176 2.730 9.437 357 HE2 LYS 55 HE2 LYS 55 -11.572 3.307 11.168 358 HE3 LYS 55 HE1 LYS 55 -11.023 1.982 12.193 359 HZ1 LYS 55 HZ1 LYS 55 -10.296 4.488 12.583 360 HZ2 LYS 55 HZ2 LYS 55 -9.056 4.026 11.530 361 HZ3 LYS 55 HZ3 LYS 55 -9.295 3.181 12.976 362 H ALA 56 HN ALA 56 -7.457 -0.226 10.108 363 HA ALA 56 HA ALA 56 -6.670 -2.794 10.296 364 HB1 ALA 56 HB1 ALA 56 -7.232 -0.786 12.436 365 HB2 ALA 56 HB2 ALA 56 -5.685 -1.396 11.850 366 HB3 ALA 56 HB3 ALA 56 -6.711 -2.417 12.860 367 H GLY 57 HN GLY 57 -7.512 -4.716 10.784 368 HA2 GLY 57 HA2 GLY 57 -9.034 -6.092 12.085 369 HA3 GLY 57 HA1 GLY 57 -10.212 -4.790 11.978 370 H THR 58 HN THR 58 -8.922 -4.747 9.033 371 HA THR 58 HA THR 58 -11.115 -6.211 7.866 372 HB THR 58 HB THR 58 -8.789 -4.795 6.543 373 HG1 THR 58 HG1 THR 58 -10.199 -3.464 7.857 374 HG21 THR 58 HG21 THR 58 -11.273 -4.856 5.076 375 HG22 THR 58 HG22 THR 58 -10.647 -6.478 5.378 376 HG23 THR 58 HG23 THR 58 -9.640 -5.280 4.561 377 H VAL 59 HN VAL 59 -10.931 -8.390 7.873 378 HA VAL 59 HA VAL 59 -8.502 -9.808 7.817 379 HB VAL 59 HB VAL 59 -10.376 -10.971 8.686 380 HG11 VAL 59 HG11 VAL 59 -12.231 -11.534 6.826 381 HG12 VAL 59 HG12 VAL 59 -11.731 -9.933 6.281 382 HG13 VAL 59 HG13 VAL 59 -12.338 -10.156 7.922 383 HG21 VAL 59 HG21 VAL 59 -10.303 -13.022 7.557 384 HG22 VAL 59 HG22 VAL 59 -8.763 -12.251 7.175 385 HG23 VAL 59 HG23 VAL 59 -10.068 -12.251 5.988 386 H CYS 60 HN CYS 60 -7.117 -9.921 6.195 387 HA CYS 60 HA CYS 60 -8.052 -9.523 3.453 388 HB2 CYS 60 HB2 CYS 60 -5.708 -9.282 2.868 389 HB3 CYS 60 HB1 CYS 60 -6.081 -8.255 4.249 390 H ARG 61 HN ARG 61 -6.619 -11.932 5.545 391 HA ARG 61 HA ARG 61 -7.380 -14.009 3.680 392 HB2 ARG 61 HB2 ARG 61 -4.984 -15.034 4.015 393 HB3 ARG 61 HB1 ARG 61 -5.293 -13.882 2.725 394 HG2 ARG 61 HG2 ARG 61 -3.897 -12.369 3.586 395 HG3 ARG 61 HG1 ARG 61 -4.478 -12.630 5.229 396 HD2 ARG 61 HD2 ARG 61 -3.108 -14.643 5.402 397 HD3 ARG 61 HD1 ARG 61 -2.544 -14.409 3.749 398 HE ARG 61 HE ARG 61 -1.560 -13.124 6.086 399 HH11 ARG 61 HH11 ARG 61 -2.140 -12.632 2.680 400 HH12 ARG 61 HH12 ARG 61 -0.902 -11.432 2.516 401 HH21 ARG 61 HH21 ARG 61 0.068 -11.548 5.872 402 HH22 ARG 61 HH22 ARG 61 0.352 -10.817 4.328 403 H ILE 62 HN ILE 62 -6.475 -16.209 4.680 404 HA ILE 62 HA ILE 62 -6.407 -16.265 7.554 405 HB ILE 62 HB ILE 62 -8.690 -17.677 6.172 406 HG12 ILE 62 HG12 ILE 62 -8.942 -15.140 6.294 407 HG13 ILE 62 HG11 ILE 62 -10.215 -16.085 7.053 408 HG21 ILE 62 HG21 ILE 62 -9.215 -17.525 8.875 409 HG22 ILE 62 HG22 ILE 62 -7.479 -17.831 8.804 410 HG23 ILE 62 HG23 ILE 62 -8.603 -18.934 8.007 411 HD11 ILE 62 HD11 ILE 62 -9.859 -15.104 8.995 412 HD12 ILE 62 HD12 ILE 62 -8.705 -14.037 8.195 413 HD13 ILE 62 HD13 ILE 62 -8.149 -15.529 8.950 414 H ALA 63 HN ALA 63 -5.168 -17.941 8.142 415 HA ALA 63 HA ALA 63 -3.812 -19.533 6.366 416 HB1 ALA 63 HB1 ALA 63 -2.748 -20.293 8.159 417 HB2 ALA 63 HB2 ALA 63 -4.227 -20.962 8.844 418 HB3 ALA 63 HB3 ALA 63 -3.817 -19.265 9.111 419 H ARG 64 HN ARG 64 -6.197 -20.996 8.554 420 HA ARG 64 HA ARG 64 -8.089 -21.926 6.873 421 HB2 ARG 64 HB2 ARG 64 -5.665 -23.143 6.083 422 HB3 ARG 64 HB1 ARG 64 -6.602 -24.395 6.877 423 HG2 ARG 64 HG2 ARG 64 -6.995 -24.344 4.469 424 HG3 ARG 64 HG1 ARG 64 -8.464 -24.003 5.385 425 HD2 ARG 64 HD2 ARG 64 -8.608 -22.342 3.833 426 HD3 ARG 64 HD1 ARG 64 -7.648 -21.503 5.050 427 HE ARG 64 HE ARG 64 -5.897 -21.467 3.583 428 HH11 ARG 64 HH11 ARG 64 -8.206 -23.850 2.502 429 HH12 ARG 64 HH12 ARG 64 -7.389 -24.144 1.004 430 HH21 ARG 64 HH21 ARG 64 -4.821 -21.853 1.613 431 HH22 ARG 64 HH22 ARG 64 -5.467 -23.012 0.499 432 H GLY 65 HN GLY 65 -8.957 -21.582 9.049 433 HA2 GLY 65 HA2 GLY 65 -9.894 -23.794 10.295 434 HA3 GLY 65 HA1 GLY 65 -8.339 -23.555 11.074 435 H ASP 66 HN ASP 66 -8.610 -20.599 10.782 436 HA ASP 66 HA ASP 66 -9.589 -18.791 11.801 437 HB2 ASP 66 HB2 ASP 66 -11.742 -20.517 11.738 438 HB3 ASP 66 HB1 ASP 66 -11.560 -20.190 13.458 439 H TRP 67 HN TRP 67 -7.541 -18.876 12.826 440 HA TRP 67 HA TRP 67 -7.658 -19.659 15.665 441 HB2 TRP 67 HB2 TRP 67 -4.960 -19.461 14.922 442 HB3 TRP 67 HB1 TRP 67 -5.866 -20.939 15.228 443 HD1 TRP 67 HD1 TRP 67 -5.329 -18.558 12.173 444 HE1 TRP 67 HE1 TRP 67 -5.189 -20.001 10.081 445 HE3 TRP 67 HE3 TRP 67 -6.050 -23.137 14.309 446 HZ2 TRP 67 HZ2 TRP 67 -5.320 -22.741 9.399 447 HZ3 TRP 67 HZ3 TRP 67 -6.017 -25.130 12.865 448 HH2 TRP 67 HH2 TRP 67 -5.662 -24.933 10.457 449 H ASN 68 HN ASN 68 -5.544 -17.696 13.639 450 HA ASN 68 HA ASN 68 -5.689 -15.527 15.611 451 HB2 ASN 68 HB2 ASN 68 -3.603 -15.772 13.453 452 HB3 ASN 68 HB1 ASN 68 -3.516 -14.880 14.969 453 HD21 ASN 68 HD21 ASN 68 -3.589 -18.101 13.566 454 HD22 ASN 68 HD22 ASN 68 -2.736 -18.881 14.850 455 H ASP 69 HN ASP 69 -6.115 -16.387 12.263 456 HA ASP 69 HA ASP 69 -7.100 -15.333 10.510 457 HB2 ASP 69 HB2 ASP 69 -8.147 -13.680 12.792 458 HB3 ASP 69 HB1 ASP 69 -8.553 -13.300 11.122 459 H ASP 70 HN ASP 70 -6.166 -14.174 8.998 460 HA ASP 70 HA ASP 70 -4.107 -12.291 9.686 461 HB2 ASP 70 HB2 ASP 70 -5.166 -13.029 6.956 462 HB3 ASP 70 HB1 ASP 70 -3.625 -12.256 7.310 463 H TYR 71 HN TYR 71 -4.398 -10.189 9.984 464 HA TYR 71 HA TYR 71 -6.705 -8.912 8.670 465 HB2 TYR 71 HB2 TYR 71 -5.805 -8.788 11.519 466 HB3 TYR 71 HB1 TYR 71 -6.703 -7.447 10.810 467 HD1 TYR 71 HD2 TYR 71 -8.942 -7.929 9.784 468 HD2 TYR 71 HD1 TYR 71 -6.912 -10.706 12.261 469 HE1 TYR 71 HE2 TYR 71 -11.059 -9.097 10.172 470 HE2 TYR 71 HE1 TYR 71 -9.010 -11.906 12.654 471 HH TYR 71 HH TYR 71 -11.696 -11.017 12.529 472 H CYS 72 HN CYS 72 -6.623 -6.641 8.434 473 HA CYS 72 HA CYS 72 -3.978 -5.690 7.700 474 HB2 CYS 72 HB2 CYS 72 -6.766 -5.016 7.016 475 HB3 CYS 72 HB1 CYS 72 -5.679 -3.635 7.121 476 H THR 73 HN THR 73 -3.751 -3.160 8.162 477 HA THR 73 HA THR 73 -4.471 -2.706 10.980 478 HB THR 73 HB THR 73 -2.259 -1.678 11.334 479 HG1 THR 73 HG1 THR 73 -0.760 -1.658 9.776 480 HG21 THR 73 HG21 THR 73 -1.576 -3.649 12.051 481 HG22 THR 73 HG22 THR 73 -1.134 -4.101 10.405 482 HG23 THR 73 HG23 THR 73 -2.755 -4.446 11.009 483 H GLY 74 HN GLY 74 -4.844 -1.587 7.905 484 HA2 GLY 74 HA2 GLY 74 -5.526 0.410 7.010 485 HA3 GLY 74 HA1 GLY 74 -6.085 0.793 8.630 486 H LYS 75 HN LYS 75 -2.726 0.152 8.256 487 HA LYS 75 HA LYS 75 -2.169 3.044 8.360 488 HB2 LYS 75 HB2 LYS 75 -0.963 0.757 9.890 489 HB3 LYS 75 HB1 LYS 75 -0.056 2.242 9.637 490 HG2 LYS 75 HG2 LYS 75 -2.385 3.248 10.551 491 HG3 LYS 75 HG1 LYS 75 -2.349 1.698 11.393 492 HD2 LYS 75 HD2 LYS 75 0.185 3.198 11.394 493 HD3 LYS 75 HD1 LYS 75 -1.138 3.945 12.292 494 HE2 LYS 75 HE2 LYS 75 -0.309 2.626 13.946 495 HE3 LYS 75 HE1 LYS 75 -1.399 1.459 13.200 496 HZ1 LYS 75 HZ1 LYS 75 0.454 0.567 11.947 497 HZ2 LYS 75 HZ2 LYS 75 0.797 0.520 13.602 498 HZ3 LYS 75 HZ3 LYS 75 1.505 1.706 12.626 499 H SER 76 HN SER 76 -1.201 -0.096 7.155 500 HA SER 76 HA SER 76 0.433 1.240 5.123 501 HB2 SER 76 HB2 SER 76 1.324 -0.812 7.083 502 HB3 SER 76 HB1 SER 76 1.902 -0.985 5.426 503 HG SER 76 HG SER 76 3.334 0.301 6.583 504 H SER 77 HN SER 77 1.068 -0.463 3.385 505 HA SER 77 HA SER 77 -1.401 -1.654 2.480 506 HB2 SER 77 HB2 SER 77 0.864 -2.313 0.818 507 HB3 SER 77 HB1 SER 77 -0.532 -1.300 0.451 508 HG SER 77 HG SER 77 1.982 -0.580 1.459 509 H ASP 78 HN ASP 78 0.767 -2.718 4.632 510 HA ASP 78 HA ASP 78 0.875 -5.466 3.645 511 HB2 ASP 78 HB2 ASP 78 2.224 -4.090 5.974 512 HB3 ASP 78 HB1 ASP 78 2.329 -5.824 5.688 513 H CYS 79 HN CYS 79 -0.111 -7.162 4.664 514 HA CYS 79 HA CYS 79 -1.979 -6.460 6.831 515 HB2 CYS 79 HB2 CYS 79 -3.215 -6.824 4.795 516 HB3 CYS 79 HB1 CYS 79 -2.371 -8.338 4.501 517 HA PRO 80 HA PRO 80 0.643 -9.597 8.837 518 HB2 PRO 80 HB2 PRO 80 -0.588 -9.307 11.284 519 HB3 PRO 80 HB1 PRO 80 0.769 -8.323 10.727 520 HG2 PRO 80 HG2 PRO 80 -2.156 -7.703 10.708 521 HG3 PRO 80 HG1 PRO 80 -0.788 -6.648 11.111 522 HD2 PRO 80 HD2 PRO 80 -2.019 -6.501 8.733 523 HD3 PRO 80 HD1 PRO 80 -0.266 -6.266 8.884 524 H TRP 81 HN TRP 81 0.154 -11.603 10.002 525 HA TRP 81 HA TRP 81 -2.337 -12.781 9.041 526 HB2 TRP 81 HB2 TRP 81 -0.109 -14.243 10.435 527 HB3 TRP 81 HB1 TRP 81 -1.339 -14.902 9.369 528 HD1 TRP 81 HD1 TRP 81 1.218 -12.031 8.672 529 HE1 TRP 81 HE1 TRP 81 2.519 -12.681 6.550 530 HE3 TRP 81 HE3 TRP 81 -0.876 -16.594 7.828 531 HZ2 TRP 81 HZ2 TRP 81 2.641 -14.862 4.761 532 HZ3 TRP 81 HZ3 TRP 81 -0.118 -17.912 5.887 533 HH2 TRP 81 HH2 TRP 81 1.608 -17.058 4.383 534 H ASN 82 HN ASN 82 -0.551 -12.153 11.949 535 HA ASN 82 HA ASN 82 -1.414 -11.756 14.079 536 HB2 ASN 82 HB2 ASN 82 -3.774 -11.877 13.068 537 HB3 ASN 82 HB1 ASN 82 -3.729 -13.593 13.462 538 HD21 ASN 82 HD21 ASN 82 -2.689 -10.639 15.136 539 HD22 ASN 82 HD22 ASN 82 -3.555 -10.959 16.596 540 H HIS 83 HN HIS 83 -0.283 -14.293 12.466 541 HA HIS 83 HA HIS 83 -0.440 -16.301 14.551 542 HB2 HIS 83 HB2 HIS 83 0.966 -16.284 11.866 543 HB3 HIS 83 HB1 HIS 83 0.889 -17.670 12.953 544 HD1 HIS 83 HD1 HIS 83 -0.884 -19.269 12.327 545 HD2 HIS 83 HD2 HIS 83 -1.875 -15.381 11.260 546 HE1 HIS 83 HE1 HIS 83 -3.126 -19.427 11.199 547 HE2 HIS 83 HE2 HIS 83 -3.742 -17.054 10.638 Start of MODEL 6 1 H1 SER 1 HT1 SER 1 18.627 1.164 -12.219 2 H2 SER 1 HT2 SER 1 20.254 1.305 -11.692 3 H3 SER 1 HT3 SER 1 19.048 2.344 -11.050 4 HA SER 1 HA SER 1 19.380 -0.545 -10.637 5 HB2 SER 1 HB2 SER 1 19.391 0.279 -8.235 6 HB3 SER 1 HB1 SER 1 20.775 0.776 -9.208 7 HG SER 1 HG SER 1 19.974 2.544 -8.069 8 HA PRO 2 HA PRO 2 15.093 -1.410 -10.225 9 HB2 PRO 2 HB2 PRO 2 15.243 -2.183 -7.461 10 HB3 PRO 2 HB1 PRO 2 15.120 -3.218 -8.882 11 HG2 PRO 2 HG2 PRO 2 17.491 -2.478 -7.305 12 HG3 PRO 2 HG1 PRO 2 17.239 -3.863 -8.377 13 HD2 PRO 2 HD2 PRO 2 18.863 -1.797 -9.019 14 HD3 PRO 2 HD1 PRO 2 17.950 -2.708 -10.241 15 HA PRO 3 HA PRO 3 13.866 1.393 -6.512 16 HB2 PRO 3 HB2 PRO 3 15.795 2.472 -4.967 17 HB3 PRO 3 HB1 PRO 3 15.131 0.862 -4.662 18 HG2 PRO 3 HG2 PRO 3 17.671 1.633 -6.048 19 HG3 PRO 3 HG1 PRO 3 17.393 0.351 -4.853 20 HD2 PRO 3 HD2 PRO 3 17.533 -0.131 -7.516 21 HD3 PRO 3 HD1 PRO 3 16.526 -1.092 -6.417 22 H VAL 4 HN VAL 4 13.318 2.836 -8.210 23 HA VAL 4 HA VAL 4 15.220 5.067 -8.529 24 HB VAL 4 HB VAL 4 13.168 4.439 -10.614 25 HG11 VAL 4 HG11 VAL 4 15.105 5.424 -12.013 26 HG12 VAL 4 HG12 VAL 4 15.742 5.962 -10.459 27 HG13 VAL 4 HG13 VAL 4 14.156 6.511 -10.999 28 HG21 VAL 4 HG21 VAL 4 14.702 3.029 -11.804 29 HG22 VAL 4 HG22 VAL 4 14.477 2.365 -10.185 30 HG23 VAL 4 HG23 VAL 4 15.943 3.266 -10.574 31 H CYS 5 HN CYS 5 14.503 6.744 -7.374 32 HA CYS 5 HA CYS 5 11.644 7.170 -7.007 33 HB2 CYS 5 HB2 CYS 5 12.895 7.505 -5.015 34 HB3 CYS 5 HB1 CYS 5 14.113 8.465 -5.842 35 H GLY 6 HN GLY 6 10.766 7.940 -8.825 36 HA2 GLY 6 HA2 GLY 6 10.198 10.072 -9.901 37 HA3 GLY 6 HA1 GLY 6 11.927 10.402 -9.971 38 H ASN 7 HN ASN 7 10.593 7.258 -10.550 39 HA ASN 7 HA ASN 7 11.062 7.518 -13.438 40 HB2 ASN 7 HB2 ASN 7 12.400 5.798 -11.490 41 HB3 ASN 7 HB1 ASN 7 11.687 4.882 -12.814 42 HD21 ASN 7 HD21 ASN 7 12.937 4.595 -14.502 43 HD22 ASN 7 HD22 ASN 7 14.242 5.615 -14.994 44 H LYS 8 HN LYS 8 8.829 7.096 -11.171 45 HA LYS 8 HA LYS 8 6.687 6.377 -11.235 46 HB2 LYS 8 HB2 LYS 8 7.161 6.663 -13.847 47 HB3 LYS 8 HB1 LYS 8 6.998 4.913 -13.807 48 HG2 LYS 8 HG2 LYS 8 4.820 5.596 -12.401 49 HG3 LYS 8 HG1 LYS 8 4.969 7.018 -13.436 50 HD2 LYS 8 HD2 LYS 8 3.564 5.454 -14.564 51 HD3 LYS 8 HD1 LYS 8 5.119 5.464 -15.397 52 HE2 LYS 8 HE2 LYS 8 5.590 3.502 -13.647 53 HE3 LYS 8 HE1 LYS 8 3.839 3.341 -13.775 54 HZ1 LYS 8 HZ1 LYS 8 4.457 2.022 -15.491 55 HZ2 LYS 8 HZ2 LYS 8 5.902 2.851 -15.781 56 HZ3 LYS 8 HZ3 LYS 8 4.436 3.491 -16.329 57 H ILE 9 HN ILE 9 9.204 4.715 -10.553 58 HA ILE 9 HA ILE 9 7.861 2.095 -10.489 59 HB ILE 9 HB ILE 9 10.652 1.945 -9.772 60 HG12 ILE 9 HG12 ILE 9 10.048 3.121 -12.493 61 HG13 ILE 9 HG11 ILE 9 10.964 3.891 -11.200 62 HG21 ILE 9 HG21 ILE 9 8.954 0.735 -11.936 63 HG22 ILE 9 HG22 ILE 9 9.451 0.010 -10.406 64 HG23 ILE 9 HG23 ILE 9 10.644 0.306 -11.671 65 HD11 ILE 9 HD11 ILE 9 12.443 3.028 -12.908 66 HD12 ILE 9 HD12 ILE 9 11.763 1.413 -12.709 67 HD13 ILE 9 HD13 ILE 9 12.675 2.153 -11.394 68 H LEU 10 HN LEU 10 6.946 1.778 -8.560 69 HA LEU 10 HA LEU 10 7.762 3.147 -6.199 70 HB2 LEU 10 HB2 LEU 10 6.166 0.622 -6.083 71 HB3 LEU 10 HB1 LEU 10 6.002 2.083 -5.127 72 HG LEU 10 HG LEU 10 5.328 3.039 -7.566 73 HD11 LEU 10 HD11 LEU 10 3.810 0.526 -7.679 74 HD12 LEU 10 HD12 LEU 10 5.508 0.406 -8.142 75 HD13 LEU 10 HD13 LEU 10 4.443 1.535 -8.980 76 HD21 LEU 10 HD21 LEU 10 2.907 2.272 -6.719 77 HD22 LEU 10 HD22 LEU 10 3.818 3.584 -5.972 78 HD23 LEU 10 HD23 LEU 10 3.835 1.975 -5.249 79 H GLU 11 HN GLU 11 10.073 2.399 -6.730 80 HA GLU 11 HA GLU 11 10.599 -0.098 -5.269 81 HB2 GLU 11 HB2 GLU 11 11.054 -0.104 -7.778 82 HB3 GLU 11 HB1 GLU 11 12.376 1.001 -7.436 83 HG2 GLU 11 HG2 GLU 11 13.654 -0.604 -6.472 84 HG3 GLU 11 HG1 GLU 11 12.263 -1.495 -5.856 85 H GLN 12 HN GLN 12 12.009 3.076 -6.169 86 HA GLN 12 HA GLN 12 14.057 2.935 -4.194 87 HB2 GLN 12 HB2 GLN 12 14.211 4.419 -6.142 88 HB3 GLN 12 HB1 GLN 12 12.870 5.370 -5.531 89 HG2 GLN 12 HG2 GLN 12 14.144 6.431 -4.002 90 HG3 GLN 12 HG1 GLN 12 15.147 5.015 -3.696 91 HE21 GLN 12 HE21 GLN 12 16.454 7.288 -3.802 92 HE22 GLN 12 HE22 GLN 12 17.317 7.475 -5.286 93 H GLY 13 HN GLY 13 12.247 2.123 -2.591 94 HA2 GLY 13 HA2 GLY 13 10.876 2.523 -0.771 95 HA3 GLY 13 HA1 GLY 13 12.178 3.627 -0.366 96 H GLU 14 HN GLU 14 9.843 3.931 -3.015 97 HA GLU 14 HA GLU 14 9.143 6.573 -2.014 98 HB2 GLU 14 HB2 GLU 14 8.035 5.337 -4.517 99 HB3 GLU 14 HB1 GLU 14 8.267 7.038 -4.143 100 HG2 GLU 14 HG2 GLU 14 9.993 6.745 -5.569 101 HG3 GLU 14 HG1 GLU 14 10.803 6.295 -4.070 102 H ASP 15 HN ASP 15 7.324 3.790 -3.283 103 HA ASP 15 HA ASP 15 5.396 2.792 -2.554 104 HB2 ASP 15 HB2 ASP 15 6.324 3.731 -0.213 105 HB3 ASP 15 HB1 ASP 15 4.888 4.738 -0.365 106 H CYS 16 HN CYS 16 5.786 5.536 -4.016 107 HA CYS 16 HA CYS 16 3.381 5.817 -5.211 108 HB2 CYS 16 HB2 CYS 16 3.286 6.941 -2.519 109 HB3 CYS 16 HB1 CYS 16 2.859 8.116 -3.757 110 H ASP 17 HN ASP 17 5.342 6.117 -6.562 111 HA ASP 17 HA ASP 17 6.024 8.977 -6.709 112 HB2 ASP 17 HB2 ASP 17 8.016 7.922 -6.000 113 HB3 ASP 17 HB1 ASP 17 7.780 6.559 -7.089 114 H CYS 18 HN CYS 18 6.594 9.749 -8.830 115 HA CYS 18 HA CYS 18 5.360 8.224 -11.027 116 HB2 CYS 18 HB2 CYS 18 5.137 11.183 -10.454 117 HB3 CYS 18 HB1 CYS 18 4.678 10.447 -11.980 118 H GLY 19 HN GLY 19 6.425 8.314 -13.004 119 HA2 GLY 19 HA2 GLY 19 9.154 8.556 -13.102 120 HA3 GLY 19 HA1 GLY 19 8.119 8.739 -14.510 121 H SER 20 HN SER 20 6.791 11.075 -13.929 122 HA SER 20 HA SER 20 8.873 13.080 -13.455 123 HB2 SER 20 HB2 SER 20 7.025 13.666 -15.698 124 HB3 SER 20 HB1 SER 20 8.732 14.067 -15.507 125 HG SER 20 HG SER 20 8.055 12.381 -17.127 126 HA PRO 21 HA PRO 21 5.715 14.715 -10.738 127 HB2 PRO 21 HB2 PRO 21 7.119 17.249 -11.479 128 HB3 PRO 21 HB1 PRO 21 6.633 16.658 -9.886 129 HG2 PRO 21 HG2 PRO 21 9.170 16.498 -10.680 130 HG3 PRO 21 HG1 PRO 21 8.426 15.198 -9.733 131 HD2 PRO 21 HD2 PRO 21 9.122 15.277 -12.621 132 HD3 PRO 21 HD1 PRO 21 9.066 13.897 -11.506 133 H ALA 22 HN ALA 22 6.436 15.982 -13.932 134 HA ALA 22 HA ALA 22 3.976 17.502 -14.075 135 HB1 ALA 22 HB1 ALA 22 6.087 18.261 -15.161 136 HB2 ALA 22 HB2 ALA 22 4.705 18.178 -16.253 137 HB3 ALA 22 HB3 ALA 22 5.935 16.914 -16.288 138 H ASN 23 HN ASN 23 5.176 14.382 -15.022 139 HA ASN 23 HA ASN 23 2.684 13.840 -16.483 140 HB2 ASN 23 HB2 ASN 23 5.430 12.624 -16.624 141 HB3 ASN 23 HB1 ASN 23 4.025 11.746 -17.220 142 HD21 ASN 23 HD21 ASN 23 3.779 11.925 -19.314 143 HD22 ASN 23 HD22 ASN 23 4.145 13.312 -20.275 144 H CYS 24 HN CYS 24 3.208 13.844 -13.514 145 HA CYS 24 HA CYS 24 3.187 11.189 -12.578 146 HB2 CYS 24 HB2 CYS 24 3.778 13.146 -11.182 147 HB3 CYS 24 HB1 CYS 24 2.096 13.661 -11.231 148 H GLN 25 HN GLN 25 1.689 10.095 -13.861 149 HA GLN 25 HA GLN 25 -1.091 10.871 -13.836 150 HB2 GLN 25 HB2 GLN 25 -1.439 8.834 -15.175 151 HB3 GLN 25 HB1 GLN 25 -0.163 9.848 -15.836 152 HG2 GLN 25 HG2 GLN 25 1.503 8.368 -15.253 153 HG3 GLN 25 HG1 GLN 25 0.532 7.611 -13.990 154 HE21 GLN 25 HE21 GLN 25 0.851 5.543 -14.742 155 HE22 GLN 25 HE22 GLN 25 0.147 4.958 -16.207 156 H ASP 26 HN ASP 26 -0.228 10.515 -11.234 157 HA ASP 26 HA ASP 26 -1.871 8.237 -10.419 158 HB2 ASP 26 HB2 ASP 26 0.798 8.900 -9.154 159 HB3 ASP 26 HB1 ASP 26 -0.283 7.589 -8.694 160 H ARG 27 HN ARG 27 -3.536 9.527 -9.765 161 HA ARG 27 HA ARG 27 -3.272 11.945 -8.360 162 HB2 ARG 27 HB2 ARG 27 -5.293 11.195 -9.607 163 HB3 ARG 27 HB1 ARG 27 -5.619 10.048 -8.316 164 HG2 ARG 27 HG2 ARG 27 -6.920 11.698 -7.530 165 HG3 ARG 27 HG1 ARG 27 -5.399 12.323 -6.887 166 HD2 ARG 27 HD2 ARG 27 -5.332 14.039 -8.354 167 HD3 ARG 27 HD1 ARG 27 -6.018 13.081 -9.666 168 HE ARG 27 HE ARG 27 -8.045 13.970 -9.149 169 HH11 ARG 27 HH11 ARG 27 -6.034 14.148 -6.303 170 HH12 ARG 27 HH12 ARG 27 -7.220 14.993 -5.365 171 HH21 ARG 27 HH21 ARG 27 -9.606 15.081 -7.918 172 HH22 ARG 27 HH22 ARG 27 -9.248 15.522 -6.281 173 H CYS 28 HN CYS 28 -2.993 8.689 -7.308 174 HA CYS 28 HA CYS 28 -3.362 9.466 -4.505 175 HB2 CYS 28 HB2 CYS 28 -4.321 7.293 -5.769 176 HB3 CYS 28 HB1 CYS 28 -2.784 6.644 -5.210 177 H CYS 29 HN CYS 29 -0.914 9.305 -6.721 178 HA CYS 29 HA CYS 29 1.087 8.976 -4.598 179 HB2 CYS 29 HB2 CYS 29 1.226 7.740 -7.355 180 HB3 CYS 29 HB1 CYS 29 2.545 7.754 -6.193 181 H ASN 30 HN ASN 30 2.620 10.529 -4.585 182 HA ASN 30 HA ASN 30 2.689 12.370 -6.887 183 HB2 ASN 30 HB2 ASN 30 1.846 13.415 -4.845 184 HB3 ASN 30 HB1 ASN 30 3.298 12.929 -3.978 185 HD21 ASN 30 HD21 ASN 30 4.398 14.705 -3.561 186 HD22 ASN 30 HD22 ASN 30 4.783 15.949 -4.696 187 H ALA 31 HN ALA 31 4.521 12.689 -7.953 188 HA ALA 31 HA ALA 31 6.835 11.106 -7.387 189 HB1 ALA 31 HB1 ALA 31 5.887 12.826 -9.540 190 HB2 ALA 31 HB2 ALA 31 6.900 11.388 -9.606 191 HB3 ALA 31 HB3 ALA 31 7.624 12.957 -9.267 192 H ALA 32 HN ALA 32 6.060 14.551 -7.205 193 HA ALA 32 HA ALA 32 8.530 15.598 -6.557 194 HB1 ALA 32 HB1 ALA 32 6.501 16.906 -5.002 195 HB2 ALA 32 HB2 ALA 32 5.884 16.516 -6.607 196 HB3 ALA 32 HB3 ALA 32 7.354 17.475 -6.436 197 H THR 33 HN THR 33 6.555 13.523 -4.656 198 HA THR 33 HA THR 33 8.265 14.038 -2.312 199 HB THR 33 HB THR 33 5.828 14.601 -2.018 200 HG1 THR 33 HG1 THR 33 6.524 14.209 -0.080 201 HG21 THR 33 HG21 THR 33 5.137 12.481 -3.387 202 HG22 THR 33 HG22 THR 33 4.144 13.056 -2.049 203 HG23 THR 33 HG23 THR 33 5.238 11.693 -1.813 204 H CYS 34 HN CYS 34 7.154 11.774 -4.633 205 HA CYS 34 HA CYS 34 7.561 9.577 -4.983 206 HB2 CYS 34 HB2 CYS 34 9.913 10.577 -3.551 207 HB3 CYS 34 HB1 CYS 34 9.653 8.854 -3.307 208 H LYS 35 HN LYS 35 5.605 10.301 -3.151 209 HA LYS 35 HA LYS 35 5.302 7.853 -1.698 210 HB2 LYS 35 HB2 LYS 35 5.767 8.474 0.419 211 HB3 LYS 35 HB1 LYS 35 6.717 9.741 -0.339 212 HG2 LYS 35 HG2 LYS 35 5.546 11.063 1.042 213 HG3 LYS 35 HG1 LYS 35 4.325 10.970 -0.226 214 HD2 LYS 35 HD2 LYS 35 2.923 9.776 1.062 215 HD3 LYS 35 HD1 LYS 35 4.221 8.752 1.679 216 HE2 LYS 35 HE2 LYS 35 3.717 11.576 2.601 217 HE3 LYS 35 HE1 LYS 35 3.073 10.148 3.410 218 HZ1 LYS 35 HZ1 LYS 35 5.007 10.601 4.567 219 HZ2 LYS 35 HZ2 LYS 35 5.876 11.034 3.183 220 HZ3 LYS 35 HZ3 LYS 35 5.514 9.409 3.479 221 H LEU 36 HN LEU 36 3.225 7.958 -0.325 222 HA LEU 36 HA LEU 36 1.049 8.421 -1.919 223 HB2 LEU 36 HB2 LEU 36 1.289 8.393 1.079 224 HB3 LEU 36 HB1 LEU 36 -0.259 8.531 0.269 225 HG LEU 36 HG LEU 36 1.417 6.263 -0.605 226 HD11 LEU 36 HD11 LEU 36 0.213 6.371 2.154 227 HD12 LEU 36 HD12 LEU 36 1.921 6.192 1.751 228 HD13 LEU 36 HD13 LEU 36 0.782 4.906 1.354 229 HD21 LEU 36 HD21 LEU 36 -1.460 6.413 0.263 230 HD22 LEU 36 HD22 LEU 36 -0.688 5.137 -0.675 231 HD23 LEU 36 HD23 LEU 36 -0.903 6.740 -1.377 232 H THR 37 HN THR 37 -0.310 10.081 -2.377 233 HA THR 37 HA THR 37 0.598 12.752 -1.742 234 HB THR 37 HB THR 37 -0.909 13.514 -3.378 235 HG1 THR 37 HG1 THR 37 -2.300 11.052 -3.237 236 HG21 THR 37 HG21 THR 37 0.119 12.560 -5.076 237 HG22 THR 37 HG22 THR 37 -0.889 11.126 -4.893 238 HG23 THR 37 HG23 THR 37 0.642 11.243 -4.027 239 HA PRO 38 HA PRO 38 -2.061 14.001 1.539 240 HB2 PRO 38 HB2 PRO 38 -3.508 15.837 -0.313 241 HB3 PRO 38 HB1 PRO 38 -2.760 16.178 1.251 242 HG2 PRO 38 HG2 PRO 38 -1.574 16.938 -1.005 243 HG3 PRO 38 HG1 PRO 38 -0.623 16.303 0.351 244 HD2 PRO 38 HD2 PRO 38 -1.392 14.981 -2.211 245 HD3 PRO 38 HD1 PRO 38 0.105 14.832 -1.269 246 H GLY 39 HN GLY 39 -3.522 12.548 2.201 247 HA2 GLY 39 HA2 GLY 39 -5.829 11.948 2.418 248 HA3 GLY 39 HA1 GLY 39 -6.058 12.366 0.725 249 H SER 40 HN SER 40 -3.405 10.895 0.229 250 HA SER 40 HA SER 40 -4.632 8.344 -0.327 251 HB2 SER 40 HB2 SER 40 -1.817 9.318 -0.874 252 HB3 SER 40 HB1 SER 40 -2.544 7.849 -1.523 253 HG SER 40 HG SER 40 -3.675 10.408 -1.939 254 H GLN 41 HN GLN 41 -4.700 6.807 1.179 255 HA GLN 41 HA GLN 41 -2.444 6.604 3.059 256 HB2 GLN 41 HB2 GLN 41 -5.331 6.525 3.444 257 HB3 GLN 41 HB1 GLN 41 -4.518 5.145 4.170 258 HG2 GLN 41 HG2 GLN 41 -3.988 8.055 4.708 259 HG3 GLN 41 HG1 GLN 41 -4.713 6.878 5.802 260 HE21 GLN 41 HE21 GLN 41 -1.961 8.503 5.132 261 HE22 GLN 41 HE22 GLN 41 -0.803 7.437 5.843 262 H CYS 42 HN CYS 42 -3.051 5.275 0.305 263 HA CYS 42 HA CYS 42 -1.859 2.780 0.975 264 HB2 CYS 42 HB2 CYS 42 -3.604 1.263 0.406 265 HB3 CYS 42 HB1 CYS 42 -4.223 2.360 1.628 266 H ASN 43 HN ASN 43 -3.888 4.234 -1.559 267 HA ASN 43 HA ASN 43 -3.569 4.563 -3.771 268 HB2 ASN 43 HB2 ASN 43 -1.532 5.313 -4.407 269 HB3 ASN 43 HB1 ASN 43 -1.182 5.202 -2.688 270 HD21 ASN 43 HD21 ASN 43 -0.981 3.410 -5.722 271 HD22 ASN 43 HD22 ASN 43 0.439 2.517 -5.309 272 H TYR 44 HN TYR 44 -2.347 1.670 -2.320 273 HA TYR 44 HA TYR 44 -3.576 -0.070 -4.084 274 HB2 TYR 44 HB2 TYR 44 -2.087 -0.621 -5.718 275 HB3 TYR 44 HB1 TYR 44 -1.506 1.014 -5.438 276 HD1 TYR 44 HD1 TYR 44 0.440 1.290 -3.762 277 HD2 TYR 44 HD2 TYR 44 -0.637 -2.434 -5.513 278 HE1 TYR 44 HE1 TYR 44 2.674 0.406 -3.239 279 HE2 TYR 44 HE2 TYR 44 1.593 -3.330 -4.994 280 HH TYR 44 HH TYR 44 3.955 -2.278 -4.607 281 H GLY 45 HN GLY 45 -3.043 -2.338 -3.638 282 HA2 GLY 45 HA2 GLY 45 -1.533 -3.827 -2.328 283 HA3 GLY 45 HA1 GLY 45 -1.626 -2.619 -1.057 284 H GLU 46 HN GLU 46 -2.203 -5.168 -0.422 285 HA GLU 46 HA GLU 46 -4.844 -6.024 -0.716 286 HB2 GLU 46 HB2 GLU 46 -2.614 -6.589 1.151 287 HB3 GLU 46 HB1 GLU 46 -4.223 -7.033 1.704 288 HG2 GLU 46 HG2 GLU 46 -3.027 -8.875 0.587 289 HG3 GLU 46 HG1 GLU 46 -4.550 -8.455 -0.197 290 H CYS 47 HN CYS 47 -3.354 -4.036 1.810 291 HA CYS 47 HA CYS 47 -5.801 -3.710 3.262 292 HB2 CYS 47 HB2 CYS 47 -3.009 -2.761 3.501 293 HB3 CYS 47 HB1 CYS 47 -4.240 -1.745 4.240 294 H CYS 48 HN CYS 48 -4.455 -2.192 0.503 295 HA CYS 48 HA CYS 48 -5.491 0.404 0.837 296 HB2 CYS 48 HB2 CYS 48 -3.735 -0.210 -0.814 297 HB3 CYS 48 HB1 CYS 48 -4.957 -1.067 -1.749 298 H ASP 49 HN ASP 49 -7.395 1.306 0.359 299 HA ASP 49 HA ASP 49 -9.380 0.023 -1.265 300 HB2 ASP 49 HB2 ASP 49 -9.428 -0.830 1.301 301 HB3 ASP 49 HB1 ASP 49 -10.438 0.605 1.443 302 H GLN 50 HN GLN 50 -9.725 1.784 -2.490 303 HA GLN 50 HA GLN 50 -10.429 3.855 -3.116 304 HB2 GLN 50 HB2 GLN 50 -11.718 3.488 -0.463 305 HB3 GLN 50 HB1 GLN 50 -11.668 5.125 -1.102 306 HG2 GLN 50 HG2 GLN 50 -12.609 2.956 -2.893 307 HG3 GLN 50 HG1 GLN 50 -13.676 3.493 -1.597 308 HE21 GLN 50 HE21 GLN 50 -12.444 4.149 -4.688 309 HE22 GLN 50 HE22 GLN 50 -13.201 5.683 -4.928 310 H CYS 51 HN CYS 51 -7.801 3.573 -2.291 311 HA CYS 51 HA CYS 51 -5.956 4.802 -1.806 312 HB2 CYS 51 HB2 CYS 51 -8.016 6.917 -2.213 313 HB3 CYS 51 HB1 CYS 51 -6.479 7.383 -1.493 314 H ARG 52 HN ARG 52 -7.788 3.715 0.308 315 HA ARG 52 HA ARG 52 -6.503 5.062 2.558 316 HB2 ARG 52 HB2 ARG 52 -9.432 4.897 2.070 317 HB3 ARG 52 HB1 ARG 52 -8.878 4.624 3.716 318 HG2 ARG 52 HG2 ARG 52 -7.785 6.994 2.334 319 HG3 ARG 52 HG1 ARG 52 -9.497 7.037 2.760 320 HD2 ARG 52 HD2 ARG 52 -9.079 7.141 4.976 321 HD3 ARG 52 HD1 ARG 52 -7.686 6.065 4.868 322 HE ARG 52 HE ARG 52 -6.978 8.475 3.671 323 HH11 ARG 52 HH11 ARG 52 -7.858 7.295 6.835 324 HH12 ARG 52 HH12 ARG 52 -6.924 8.486 7.676 325 HH21 ARG 52 HH21 ARG 52 -5.748 10.042 4.775 326 HH22 ARG 52 HH22 ARG 52 -5.726 10.046 6.507 327 H PHE 53 HN PHE 53 -5.752 3.642 4.040 328 HA PHE 53 HA PHE 53 -5.722 0.900 3.509 329 HB2 PHE 53 HB2 PHE 53 -5.076 2.461 6.004 330 HB3 PHE 53 HB1 PHE 53 -4.923 0.708 5.938 331 HD1 PHE 53 HD2 PHE 53 -3.981 0.585 3.035 332 HD2 PHE 53 HD1 PHE 53 -2.791 2.964 6.354 333 HE1 PHE 53 HE2 PHE 53 -1.752 0.815 2.058 334 HE2 PHE 53 HE1 PHE 53 -0.543 3.201 5.379 335 HZ PHE 53 HZ PHE 53 -0.017 2.124 3.225 336 H LYS 54 HN LYS 54 -6.719 -0.856 4.432 337 HA LYS 54 HA LYS 54 -9.458 -0.471 5.140 338 HB2 LYS 54 HB2 LYS 54 -7.643 -2.792 4.758 339 HB3 LYS 54 HB1 LYS 54 -9.060 -3.054 5.764 340 HG2 LYS 54 HG2 LYS 54 -10.504 -2.866 4.028 341 HG3 LYS 54 HG1 LYS 54 -9.488 -1.710 3.164 342 HD2 LYS 54 HD2 LYS 54 -7.974 -4.024 3.188 343 HD3 LYS 54 HD1 LYS 54 -9.621 -4.607 2.942 344 HE2 LYS 54 HE2 LYS 54 -9.789 -2.787 1.145 345 HE3 LYS 54 HE1 LYS 54 -8.031 -2.698 1.258 346 HZ1 LYS 54 HZ1 LYS 54 -9.713 -4.928 0.320 347 HZ2 LYS 54 HZ2 LYS 54 -8.155 -5.228 0.906 348 HZ3 LYS 54 HZ3 LYS 54 -8.374 -4.214 -0.429 349 H LYS 55 HN LYS 55 -10.079 0.252 7.065 350 HA LYS 55 HA LYS 55 -8.721 0.680 9.328 351 HB2 LYS 55 HB2 LYS 55 -11.092 1.268 9.012 352 HB3 LYS 55 HB1 LYS 55 -11.537 -0.416 9.250 353 HG2 LYS 55 HG2 LYS 55 -11.935 0.403 11.336 354 HG3 LYS 55 HG1 LYS 55 -10.251 -0.092 11.521 355 HD2 LYS 55 HD2 LYS 55 -10.705 2.650 10.521 356 HD3 LYS 55 HD1 LYS 55 -11.168 2.345 12.196 357 HE2 LYS 55 HE2 LYS 55 -9.012 1.897 12.853 358 HE3 LYS 55 HE1 LYS 55 -8.513 1.390 11.240 359 HZ1 LYS 55 HZ1 LYS 55 -8.321 3.592 10.534 360 HZ2 LYS 55 HZ2 LYS 55 -7.648 3.604 12.085 361 HZ3 LYS 55 HZ3 LYS 55 -9.211 4.201 11.837 362 H ALA 56 HN ALA 56 -7.644 -0.436 10.813 363 HA ALA 56 HA ALA 56 -6.913 -3.017 10.717 364 HB1 ALA 56 HB1 ALA 56 -5.794 -1.880 12.358 365 HB2 ALA 56 HB2 ALA 56 -6.876 -2.871 13.338 366 HB3 ALA 56 HB3 ALA 56 -7.267 -1.178 13.030 367 H GLY 57 HN GLY 57 -7.813 -4.950 10.934 368 HA2 GLY 57 HA2 GLY 57 -9.301 -6.397 12.282 369 HA3 GLY 57 HA1 GLY 57 -10.473 -5.086 12.230 370 H THR 58 HN THR 58 -9.309 -4.792 9.307 371 HA THR 58 HA THR 58 -11.432 -6.303 8.080 372 HB THR 58 HB THR 58 -9.209 -4.671 6.828 373 HG1 THR 58 HG1 THR 58 -10.420 -3.234 7.892 374 HG21 THR 58 HG21 THR 58 -11.663 -4.807 5.336 375 HG22 THR 58 HG22 THR 58 -10.972 -6.412 5.579 376 HG23 THR 58 HG23 THR 58 -10.008 -5.140 4.824 377 H VAL 59 HN VAL 59 -11.165 -8.453 7.872 378 HA VAL 59 HA VAL 59 -8.648 -9.727 7.758 379 HB VAL 59 HB VAL 59 -10.667 -10.878 8.572 380 HG11 VAL 59 HG11 VAL 59 -11.958 -9.844 6.456 381 HG12 VAL 59 HG12 VAL 59 -12.535 -11.244 7.361 382 HG13 VAL 59 HG13 VAL 59 -11.645 -11.473 5.856 383 HG21 VAL 59 HG21 VAL 59 -8.835 -11.966 6.572 384 HG22 VAL 59 HG22 VAL 59 -10.320 -12.897 6.763 385 HG23 VAL 59 HG23 VAL 59 -9.286 -12.590 8.158 386 H CYS 60 HN CYS 60 -7.281 -9.877 6.109 387 HA CYS 60 HA CYS 60 -8.350 -9.580 3.376 388 HB2 CYS 60 HB2 CYS 60 -5.464 -9.223 4.153 389 HB3 CYS 60 HB1 CYS 60 -6.270 -8.683 2.686 390 H ARG 61 HN ARG 61 -6.668 -11.682 5.520 391 HA ARG 61 HA ARG 61 -6.641 -13.769 3.505 392 HB2 ARG 61 HB2 ARG 61 -4.191 -12.449 4.521 393 HB3 ARG 61 HB1 ARG 61 -4.147 -14.204 4.426 394 HG2 ARG 61 HG2 ARG 61 -4.970 -13.895 2.016 395 HG3 ARG 61 HG1 ARG 61 -4.482 -12.210 2.218 396 HD2 ARG 61 HD2 ARG 61 -2.770 -14.678 2.360 397 HD3 ARG 61 HD1 ARG 61 -2.634 -13.321 1.245 398 HE ARG 61 HE ARG 61 -1.644 -13.462 3.958 399 HH11 ARG 61 HH11 ARG 61 -2.462 -11.384 1.274 400 HH12 ARG 61 HH12 ARG 61 -1.450 -10.087 1.814 401 HH21 ARG 61 HH21 ARG 61 -0.322 -11.763 4.668 402 HH22 ARG 61 HH22 ARG 61 -0.233 -10.302 3.740 403 H ILE 62 HN ILE 62 -5.814 -15.868 4.464 404 HA ILE 62 HA ILE 62 -5.965 -16.151 7.331 405 HB ILE 62 HB ILE 62 -7.934 -17.813 5.795 406 HG12 ILE 62 HG12 ILE 62 -9.716 -16.209 6.655 407 HG13 ILE 62 HG11 ILE 62 -8.418 -15.051 6.914 408 HG21 ILE 62 HG21 ILE 62 -7.018 -18.008 8.308 409 HG22 ILE 62 HG22 ILE 62 -8.629 -18.528 7.816 410 HG23 ILE 62 HG23 ILE 62 -8.405 -16.951 8.574 411 HD11 ILE 62 HD11 ILE 62 -8.665 -14.397 4.822 412 HD12 ILE 62 HD12 ILE 62 -9.835 -15.682 4.517 413 HD13 ILE 62 HD13 ILE 62 -8.111 -15.986 4.295 414 H ALA 63 HN ALA 63 -4.500 -17.637 7.848 415 HA ALA 63 HA ALA 63 -2.894 -19.025 6.147 416 HB1 ALA 63 HB1 ALA 63 -1.924 -19.634 8.042 417 HB2 ALA 63 HB2 ALA 63 -3.293 -20.670 8.450 418 HB3 ALA 63 HB3 ALA 63 -3.300 -18.971 8.924 419 H ARG 64 HN ARG 64 -5.362 -20.761 8.022 420 HA ARG 64 HA ARG 64 -6.666 -21.965 5.873 421 HB2 ARG 64 HB2 ARG 64 -4.093 -23.140 6.492 422 HB3 ARG 64 HB1 ARG 64 -5.381 -24.312 6.720 423 HG2 ARG 64 HG2 ARG 64 -4.644 -22.829 4.217 424 HG3 ARG 64 HG1 ARG 64 -4.640 -24.569 4.504 425 HD2 ARG 64 HD2 ARG 64 -7.225 -23.974 5.030 426 HD3 ARG 64 HD1 ARG 64 -6.856 -22.764 3.803 427 HE ARG 64 HE ARG 64 -5.918 -25.228 2.889 428 HH11 ARG 64 HH11 ARG 64 -8.960 -23.681 3.619 429 HH12 ARG 64 HH12 ARG 64 -9.853 -24.609 2.461 430 HH21 ARG 64 HH21 ARG 64 -7.091 -26.450 1.366 431 HH22 ARG 64 HH22 ARG 64 -8.792 -26.182 1.183 432 H GLY 65 HN GLY 65 -8.076 -21.134 7.696 433 HA2 GLY 65 HA2 GLY 65 -9.685 -22.908 8.800 434 HA3 GLY 65 HA1 GLY 65 -8.334 -23.017 9.918 435 H ASP 66 HN ASP 66 -8.393 -21.741 11.632 436 HA ASP 66 HA ASP 66 -9.258 -19.046 11.567 437 HB2 ASP 66 HB2 ASP 66 -11.385 -20.751 11.672 438 HB3 ASP 66 HB1 ASP 66 -11.077 -20.485 13.385 439 H TRP 67 HN TRP 67 -7.174 -18.953 12.509 440 HA TRP 67 HA TRP 67 -7.115 -19.682 15.365 441 HB2 TRP 67 HB2 TRP 67 -4.465 -19.301 14.487 442 HB3 TRP 67 HB1 TRP 67 -5.231 -20.821 14.929 443 HD1 TRP 67 HD1 TRP 67 -4.887 -18.607 11.752 444 HE1 TRP 67 HE1 TRP 67 -4.745 -20.171 9.724 445 HE3 TRP 67 HE3 TRP 67 -5.458 -23.075 14.142 446 HZ2 TRP 67 HZ2 TRP 67 -4.856 -22.936 9.199 447 HZ3 TRP 67 HZ3 TRP 67 -5.428 -25.145 12.805 448 HH2 TRP 67 HH2 TRP 67 -5.133 -25.074 10.381 449 H ASN 68 HN ASN 68 -5.244 -17.618 13.197 450 HA ASN 68 HA ASN 68 -5.617 -15.382 15.077 451 HB2 ASN 68 HB2 ASN 68 -3.374 -15.446 13.088 452 HB3 ASN 68 HB1 ASN 68 -3.462 -14.622 14.641 453 HD21 ASN 68 HD21 ASN 68 -3.181 -17.781 13.120 454 HD22 ASN 68 HD22 ASN 68 -2.336 -18.537 14.424 455 H ASP 69 HN ASP 69 -5.586 -16.398 11.720 456 HA ASP 69 HA ASP 69 -6.503 -15.517 9.837 457 HB2 ASP 69 HB2 ASP 69 -8.085 -14.257 12.012 458 HB3 ASP 69 HB1 ASP 69 -8.225 -13.555 10.404 459 H ASP 70 HN ASP 70 -6.045 -13.941 8.344 460 HA ASP 70 HA ASP 70 -4.053 -12.018 9.110 461 HB2 ASP 70 HB2 ASP 70 -4.121 -13.340 6.912 462 HB3 ASP 70 HB1 ASP 70 -5.372 -12.215 6.418 463 H TYR 71 HN TYR 71 -4.359 -9.934 9.608 464 HA TYR 71 HA TYR 71 -6.865 -8.673 8.759 465 HB2 TYR 71 HB2 TYR 71 -5.867 -9.027 11.551 466 HB3 TYR 71 HB1 TYR 71 -6.851 -7.624 11.137 467 HD1 TYR 71 HD1 TYR 71 -9.077 -8.032 10.045 468 HD2 TYR 71 HD2 TYR 71 -6.876 -11.093 11.977 469 HE1 TYR 71 HE1 TYR 71 -11.129 -9.353 10.230 470 HE2 TYR 71 HE2 TYR 71 -8.907 -12.450 12.168 471 HH TYR 71 HH TYR 71 -11.703 -11.837 10.458 472 H CYS 72 HN CYS 72 -6.826 -6.553 8.364 473 HA CYS 72 HA CYS 72 -4.333 -5.316 7.830 474 HB2 CYS 72 HB2 CYS 72 -6.603 -4.911 6.695 475 HB3 CYS 72 HB1 CYS 72 -6.959 -3.859 8.062 476 H THR 73 HN THR 73 -3.688 -3.177 8.722 477 HA THR 73 HA THR 73 -4.326 -2.995 11.592 478 HB THR 73 HB THR 73 -2.089 -2.617 12.138 479 HG1 THR 73 HG1 THR 73 -0.520 -2.088 10.573 480 HG21 THR 73 HG21 THR 73 -1.020 -4.518 11.560 481 HG22 THR 73 HG22 THR 73 -1.377 -4.330 9.843 482 HG23 THR 73 HG23 THR 73 -2.618 -4.935 10.940 483 H GLY 74 HN GLY 74 -4.895 -1.480 8.808 484 HA2 GLY 74 HA2 GLY 74 -5.409 0.670 8.204 485 HA3 GLY 74 HA1 GLY 74 -5.683 0.941 9.918 486 H LYS 75 HN LYS 75 -2.538 -0.037 8.820 487 HA LYS 75 HA LYS 75 -1.578 2.725 8.861 488 HB2 LYS 75 HB2 LYS 75 -0.323 0.546 10.534 489 HB3 LYS 75 HB1 LYS 75 0.198 2.222 10.431 490 HG2 LYS 75 HG2 LYS 75 -2.375 2.542 11.200 491 HG3 LYS 75 HG1 LYS 75 -1.980 1.008 11.978 492 HD2 LYS 75 HD2 LYS 75 0.025 2.075 12.966 493 HD3 LYS 75 HD1 LYS 75 -0.481 3.612 12.260 494 HE2 LYS 75 HE2 LYS 75 -1.835 2.002 14.407 495 HE3 LYS 75 HE1 LYS 75 -1.230 3.656 14.496 496 HZ1 LYS 75 HZ1 LYS 75 -2.999 3.896 12.533 497 HZ2 LYS 75 HZ2 LYS 75 -3.392 4.130 14.161 498 HZ3 LYS 75 HZ3 LYS 75 -3.733 2.651 13.414 499 H SER 76 HN SER 76 -1.835 0.255 6.983 500 HA SER 76 HA SER 76 0.410 0.838 5.398 501 HB2 SER 76 HB2 SER 76 0.674 -1.462 7.279 502 HB3 SER 76 HB1 SER 76 1.325 -1.644 5.650 503 HG SER 76 HG SER 76 2.917 -0.399 6.195 504 H SER 77 HN SER 77 0.585 -0.589 3.496 505 HA SER 77 HA SER 77 -2.060 -1.451 2.658 506 HB2 SER 77 HB2 SER 77 0.083 -1.847 0.717 507 HB3 SER 77 HB1 SER 77 -1.385 -0.879 0.588 508 HG SER 77 HG SER 77 1.157 -0.151 1.527 509 H ASP 78 HN ASP 78 0.018 -2.975 4.474 510 HA ASP 78 HA ASP 78 -0.163 -5.524 3.010 511 HB2 ASP 78 HB2 ASP 78 1.745 -6.257 4.480 512 HB3 ASP 78 HB1 ASP 78 2.143 -4.980 3.334 513 H CYS 79 HN CYS 79 -1.539 -6.938 3.789 514 HA CYS 79 HA CYS 79 -2.581 -6.631 6.505 515 HB2 CYS 79 HB2 CYS 79 -3.716 -7.356 4.017 516 HB3 CYS 79 HB1 CYS 79 -3.784 -8.794 5.032 517 HA PRO 80 HA PRO 80 0.364 -9.976 7.446 518 HB2 PRO 80 HB2 PRO 80 0.276 -9.683 10.132 519 HB3 PRO 80 HB1 PRO 80 1.216 -8.609 9.088 520 HG2 PRO 80 HG2 PRO 80 -1.500 -8.186 10.283 521 HG3 PRO 80 HG1 PRO 80 -0.131 -7.061 10.195 522 HD2 PRO 80 HD2 PRO 80 -2.210 -6.950 8.469 523 HD3 PRO 80 HD1 PRO 80 -0.557 -6.515 7.996 524 H TRP 81 HN TRP 81 -0.062 -12.072 7.687 525 HA TRP 81 HA TRP 81 -2.546 -13.233 7.899 526 HB2 TRP 81 HB2 TRP 81 -0.526 -14.869 9.239 527 HB3 TRP 81 HB1 TRP 81 -1.461 -15.203 7.790 528 HD1 TRP 81 HD1 TRP 81 1.825 -13.489 8.872 529 HE1 TRP 81 HE1 TRP 81 3.418 -13.492 6.848 530 HE3 TRP 81 HE3 TRP 81 -1.360 -15.347 5.372 531 HZ2 TRP 81 HZ2 TRP 81 3.321 -14.202 4.116 532 HZ3 TRP 81 HZ3 TRP 81 -0.545 -15.670 3.065 533 HH2 TRP 81 HH2 TRP 81 1.752 -15.104 2.453 534 H ASN 82 HN ASN 82 -0.510 -12.053 10.418 535 HA ASN 82 HA ASN 82 -1.023 -11.509 12.595 536 HB2 ASN 82 HB2 ASN 82 -3.490 -11.641 11.809 537 HB3 ASN 82 HB1 ASN 82 -3.472 -13.258 12.508 538 HD21 ASN 82 HD21 ASN 82 -4.757 -10.567 13.185 539 HD22 ASN 82 HD22 ASN 82 -4.454 -10.391 14.877 540 H HIS 83 HN HIS 83 0.431 -13.808 11.505 541 HA HIS 83 HA HIS 83 0.089 -15.809 13.619 542 HB2 HIS 83 HB2 HIS 83 1.788 -15.950 11.118 543 HB3 HIS 83 HB1 HIS 83 1.441 -17.275 12.227 544 HD1 HIS 83 HD1 HIS 83 0.722 -17.173 9.121 545 HD2 HIS 83 HD2 HIS 83 -1.888 -16.514 12.286 546 HE1 HIS 83 HE1 HIS 83 -1.574 -17.639 8.209 547 HE2 HIS 83 HE2 HIS 83 -3.143 -17.158 10.119 Start of MODEL 7 1 H1 SER 1 HT1 SER 1 13.190 -5.227 -10.750 2 H2 SER 1 HT2 SER 1 12.390 -4.864 -12.224 3 H3 SER 1 HT3 SER 1 11.730 -4.329 -10.733 4 HA SER 1 HA SER 1 14.243 -3.455 -11.990 5 HB2 SER 1 HB2 SER 1 11.879 -1.741 -11.285 6 HB3 SER 1 HB1 SER 1 13.119 -1.477 -12.512 7 HG SER 1 HG SER 1 10.731 -2.652 -12.772 8 HA PRO 2 HA PRO 2 15.633 -2.327 -7.953 9 HB2 PRO 2 HB2 PRO 2 17.137 -0.140 -8.517 10 HB3 PRO 2 HB1 PRO 2 17.645 -1.783 -8.922 11 HG2 PRO 2 HG2 PRO 2 16.386 0.296 -10.670 12 HG3 PRO 2 HG1 PRO 2 17.738 -0.796 -11.026 13 HD2 PRO 2 HD2 PRO 2 15.216 -1.269 -11.892 14 HD3 PRO 2 HD1 PRO 2 16.344 -2.576 -11.479 15 HA PRO 3 HA PRO 3 13.187 0.970 -6.314 16 HB2 PRO 3 HB2 PRO 3 15.186 1.835 -4.416 17 HB3 PRO 3 HB1 PRO 3 13.769 0.823 -4.134 18 HG2 PRO 3 HG2 PRO 3 16.343 -0.087 -3.970 19 HG3 PRO 3 HG1 PRO 3 14.953 -1.118 -4.355 20 HD2 PRO 3 HD2 PRO 3 16.974 0.108 -6.195 21 HD3 PRO 3 HD1 PRO 3 16.258 -1.520 -6.230 22 H VAL 4 HN VAL 4 12.971 2.586 -7.827 23 HA VAL 4 HA VAL 4 15.011 4.714 -7.755 24 HB VAL 4 HB VAL 4 13.877 5.246 -10.095 25 HG11 VAL 4 HG11 VAL 4 15.691 3.903 -11.163 26 HG12 VAL 4 HG12 VAL 4 16.025 3.199 -9.581 27 HG13 VAL 4 HG13 VAL 4 16.230 4.932 -9.836 28 HG21 VAL 4 HG21 VAL 4 13.659 2.241 -9.951 29 HG22 VAL 4 HG22 VAL 4 13.291 3.270 -11.335 30 HG23 VAL 4 HG23 VAL 4 12.286 3.346 -9.888 31 H CYS 5 HN CYS 5 14.260 6.338 -6.588 32 HA CYS 5 HA CYS 5 11.428 6.901 -6.401 33 HB2 CYS 5 HB2 CYS 5 13.719 7.442 -4.817 34 HB3 CYS 5 HB1 CYS 5 13.109 9.008 -5.335 35 H GLY 6 HN GLY 6 10.528 7.843 -8.139 36 HA2 GLY 6 HA2 GLY 6 10.163 9.928 -9.318 37 HA3 GLY 6 HA1 GLY 6 11.907 10.179 -9.294 38 H ASN 7 HN ASN 7 10.524 7.083 -9.919 39 HA ASN 7 HA ASN 7 11.163 7.296 -12.781 40 HB2 ASN 7 HB2 ASN 7 12.933 6.047 -11.598 41 HB3 ASN 7 HB1 ASN 7 11.719 4.957 -10.928 42 HD21 ASN 7 HD21 ASN 7 10.888 3.348 -12.184 43 HD22 ASN 7 HD22 ASN 7 11.483 2.962 -13.759 44 H LYS 8 HN LYS 8 8.777 7.103 -10.681 45 HA LYS 8 HA LYS 8 6.595 6.544 -10.870 46 HB2 LYS 8 HB2 LYS 8 7.263 6.625 -13.460 47 HB3 LYS 8 HB1 LYS 8 6.967 4.898 -13.322 48 HG2 LYS 8 HG2 LYS 8 4.725 5.523 -12.298 49 HG3 LYS 8 HG1 LYS 8 5.047 7.158 -12.878 50 HD2 LYS 8 HD2 LYS 8 4.962 4.672 -14.586 51 HD3 LYS 8 HD1 LYS 8 3.680 5.879 -14.465 52 HE2 LYS 8 HE2 LYS 8 6.477 6.587 -15.304 53 HE3 LYS 8 HE1 LYS 8 5.259 6.048 -16.459 54 HZ1 LYS 8 HZ1 LYS 8 3.907 7.944 -15.194 55 HZ2 LYS 8 HZ2 LYS 8 4.849 8.246 -16.566 56 HZ3 LYS 8 HZ3 LYS 8 5.471 8.568 -15.027 57 H ILE 9 HN ILE 9 8.919 4.814 -9.883 58 HA ILE 9 HA ILE 9 7.505 2.242 -9.842 59 HB ILE 9 HB ILE 9 10.155 2.743 -10.442 60 HG12 ILE 9 HG12 ILE 9 9.178 0.747 -11.188 61 HG13 ILE 9 HG11 ILE 9 10.402 0.218 -10.039 62 HG21 ILE 9 HG21 ILE 9 11.501 1.784 -8.681 63 HG22 ILE 9 HG22 ILE 9 10.080 1.636 -7.651 64 HG23 ILE 9 HG23 ILE 9 10.674 3.232 -8.109 65 HD11 ILE 9 HD11 ILE 9 8.390 0.315 -8.355 66 HD12 ILE 9 HD12 ILE 9 8.646 -1.081 -9.402 67 HD13 ILE 9 HD13 ILE 9 7.443 0.135 -9.832 68 H LEU 10 HN LEU 10 6.659 1.545 -8.000 69 HA LEU 10 HA LEU 10 7.029 3.133 -5.588 70 HB2 LEU 10 HB2 LEU 10 5.377 0.665 -5.542 71 HB3 LEU 10 HB1 LEU 10 5.068 2.231 -4.818 72 HG LEU 10 HG LEU 10 4.751 2.935 -7.365 73 HD11 LEU 10 HD11 LEU 10 4.360 1.304 -8.839 74 HD12 LEU 10 HD12 LEU 10 3.420 0.358 -7.684 75 HD13 LEU 10 HD13 LEU 10 5.180 0.249 -7.687 76 HD21 LEU 10 HD21 LEU 10 2.571 3.148 -6.830 77 HD22 LEU 10 HD22 LEU 10 3.134 2.662 -5.231 78 HD23 LEU 10 HD23 LEU 10 2.421 1.468 -6.315 79 H GLU 11 HN GLU 11 9.373 2.239 -6.007 80 HA GLU 11 HA GLU 11 9.651 -0.187 -4.356 81 HB2 GLU 11 HB2 GLU 11 10.158 -0.641 -6.732 82 HB3 GLU 11 HB1 GLU 11 11.399 0.601 -6.688 83 HG2 GLU 11 HG2 GLU 11 12.265 -1.707 -6.489 84 HG3 GLU 11 HG1 GLU 11 12.706 -0.658 -5.142 85 H GLN 12 HN GLN 12 11.296 2.780 -5.492 86 HA GLN 12 HA GLN 12 13.346 2.650 -3.525 87 HB2 GLN 12 HB2 GLN 12 13.182 4.097 -5.678 88 HB3 GLN 12 HB1 GLN 12 12.375 5.258 -4.635 89 HG2 GLN 12 HG2 GLN 12 15.140 4.137 -4.236 90 HG3 GLN 12 HG1 GLN 12 14.745 5.748 -4.832 91 HE21 GLN 12 HE21 GLN 12 15.273 3.807 -2.107 92 HE22 GLN 12 HE22 GLN 12 14.887 4.977 -0.897 93 H GLY 13 HN GLY 13 11.693 1.993 -1.800 94 HA2 GLY 13 HA2 GLY 13 10.339 2.484 0.020 95 HA3 GLY 13 HA1 GLY 13 11.679 3.566 0.348 96 H GLU 14 HN GLU 14 9.394 3.958 -2.300 97 HA GLU 14 HA GLU 14 8.631 6.522 -1.132 98 HB2 GLU 14 HB2 GLU 14 7.776 7.105 -3.361 99 HB3 GLU 14 HB1 GLU 14 9.467 6.646 -3.395 100 HG2 GLU 14 HG2 GLU 14 7.263 4.736 -4.091 101 HG3 GLU 14 HG1 GLU 14 8.024 5.793 -5.272 102 H ASP 15 HN ASP 15 7.112 3.646 -2.557 103 HA ASP 15 HA ASP 15 5.070 2.699 -2.208 104 HB2 ASP 15 HB2 ASP 15 4.622 4.710 -0.000 105 HB3 ASP 15 HB1 ASP 15 3.861 3.134 -0.194 106 H CYS 16 HN CYS 16 5.606 5.484 -3.583 107 HA CYS 16 HA CYS 16 3.341 5.745 -5.045 108 HB2 CYS 16 HB2 CYS 16 2.952 6.865 -2.378 109 HB3 CYS 16 HB1 CYS 16 2.650 8.035 -3.657 110 H ASP 17 HN ASP 17 4.944 6.260 -6.534 111 HA ASP 17 HA ASP 17 5.736 9.072 -6.483 112 HB2 ASP 17 HB2 ASP 17 7.664 7.921 -5.557 113 HB3 ASP 17 HB1 ASP 17 7.665 6.781 -6.900 114 H CYS 18 HN CYS 18 6.469 9.863 -8.552 115 HA CYS 18 HA CYS 18 5.423 8.314 -10.829 116 HB2 CYS 18 HB2 CYS 18 5.301 11.302 -10.384 117 HB3 CYS 18 HB1 CYS 18 4.834 10.487 -11.869 118 H GLY 19 HN GLY 19 6.632 8.355 -12.724 119 HA2 GLY 19 HA2 GLY 19 9.370 8.502 -12.610 120 HA3 GLY 19 HA1 GLY 19 8.452 8.701 -14.095 121 H SER 20 HN SER 20 7.133 11.106 -13.476 122 HA SER 20 HA SER 20 9.295 13.023 -12.995 123 HB2 SER 20 HB2 SER 20 9.315 12.899 -15.370 124 HB3 SER 20 HB1 SER 20 7.553 12.899 -15.457 125 HG SER 20 HG SER 20 9.254 15.041 -14.715 126 HA PRO 21 HA PRO 21 6.121 14.611 -10.223 127 HB2 PRO 21 HB2 PRO 21 7.808 17.044 -10.640 128 HB3 PRO 21 HB1 PRO 21 7.167 16.365 -9.139 129 HG2 PRO 21 HG2 PRO 21 9.721 16.017 -9.810 130 HG3 PRO 21 HG1 PRO 21 8.795 14.721 -9.031 131 HD2 PRO 21 HD2 PRO 21 9.679 14.983 -11.855 132 HD3 PRO 21 HD1 PRO 21 9.410 13.524 -10.882 133 H ALA 22 HN ALA 22 7.146 16.080 -13.243 134 HA ALA 22 HA ALA 22 4.890 17.881 -13.358 135 HB1 ALA 22 HB1 ALA 22 5.804 18.683 -15.378 136 HB2 ALA 22 HB2 ALA 22 6.751 17.216 -15.624 137 HB3 ALA 22 HB3 ALA 22 7.187 18.341 -14.338 138 H ASN 23 HN ASN 23 5.779 14.734 -14.560 139 HA ASN 23 HA ASN 23 3.256 14.578 -16.056 140 HB2 ASN 23 HB2 ASN 23 5.659 12.749 -16.250 141 HB3 ASN 23 HB1 ASN 23 4.232 12.718 -17.282 142 HD21 ASN 23 HD21 ASN 23 5.138 13.176 -19.201 143 HD22 ASN 23 HD22 ASN 23 5.975 14.643 -19.564 144 H CYS 24 HN CYS 24 3.771 14.265 -13.109 145 HA CYS 24 HA CYS 24 3.542 11.582 -12.364 146 HB2 CYS 24 HB2 CYS 24 4.179 13.406 -10.824 147 HB3 CYS 24 HB1 CYS 24 2.531 14.018 -10.895 148 H GLN 25 HN GLN 25 2.055 10.624 -13.728 149 HA GLN 25 HA GLN 25 -0.696 11.521 -13.742 150 HB2 GLN 25 HB2 GLN 25 -1.074 9.592 -15.238 151 HB3 GLN 25 HB1 GLN 25 0.234 10.628 -15.795 152 HG2 GLN 25 HG2 GLN 25 1.881 9.078 -15.058 153 HG3 GLN 25 HG1 GLN 25 0.672 8.106 -14.219 154 HE21 GLN 25 HE21 GLN 25 2.521 8.289 -16.918 155 HE22 GLN 25 HE22 GLN 25 1.598 7.282 -17.976 156 H ASP 26 HN ASP 26 0.018 10.967 -11.159 157 HA ASP 26 HA ASP 26 -1.709 8.688 -10.567 158 HB2 ASP 26 HB2 ASP 26 0.973 8.357 -10.376 159 HB3 ASP 26 HB1 ASP 26 0.624 8.987 -8.769 160 H ARG 27 HN ARG 27 -3.340 9.989 -9.848 161 HA ARG 27 HA ARG 27 -3.016 12.268 -8.235 162 HB2 ARG 27 HB2 ARG 27 -5.035 11.707 -9.591 163 HB3 ARG 27 HB1 ARG 27 -5.444 10.481 -8.399 164 HG2 ARG 27 HG2 ARG 27 -5.188 12.593 -6.776 165 HG3 ARG 27 HG1 ARG 27 -5.676 13.419 -8.257 166 HD2 ARG 27 HD2 ARG 27 -7.150 11.270 -6.754 167 HD3 ARG 27 HD1 ARG 27 -7.666 12.926 -7.068 168 HE ARG 27 HE ARG 27 -7.369 11.847 -9.548 169 HH11 ARG 27 HH11 ARG 27 -9.171 10.941 -6.700 170 HH12 ARG 27 HH12 ARG 27 -10.438 10.171 -7.594 171 HH21 ARG 27 HH21 ARG 27 -9.035 10.834 -10.725 172 HH22 ARG 27 HH22 ARG 27 -10.361 10.110 -9.879 173 H CYS 28 HN CYS 28 -2.899 8.925 -7.467 174 HA CYS 28 HA CYS 28 -3.343 9.456 -4.621 175 HB2 CYS 28 HB2 CYS 28 -4.186 7.377 -6.195 176 HB3 CYS 28 HB1 CYS 28 -2.762 6.690 -5.421 177 H CYS 29 HN CYS 29 -0.807 9.347 -6.787 178 HA CYS 29 HA CYS 29 1.102 8.900 -4.603 179 HB2 CYS 29 HB2 CYS 29 1.331 7.735 -7.384 180 HB3 CYS 29 HB1 CYS 29 2.594 7.681 -6.163 181 H ASN 30 HN ASN 30 2.544 10.502 -4.440 182 HA ASN 30 HA ASN 30 2.878 12.303 -6.749 183 HB2 ASN 30 HB2 ASN 30 1.809 13.383 -4.831 184 HB3 ASN 30 HB1 ASN 30 3.155 12.912 -3.800 185 HD21 ASN 30 HD21 ASN 30 4.348 14.602 -3.338 186 HD22 ASN 30 HD22 ASN 30 4.803 15.862 -4.428 187 H ALA 31 HN ALA 31 4.832 12.586 -7.601 188 HA ALA 31 HA ALA 31 7.027 10.975 -6.735 189 HB1 ALA 31 HB1 ALA 31 7.771 11.318 -8.805 190 HB2 ALA 31 HB2 ALA 31 7.760 13.068 -8.596 191 HB3 ALA 31 HB3 ALA 31 6.293 12.231 -9.097 192 H ALA 32 HN ALA 32 6.302 14.429 -6.672 193 HA ALA 32 HA ALA 32 8.723 15.423 -5.767 194 HB1 ALA 32 HB1 ALA 32 7.609 17.341 -5.806 195 HB2 ALA 32 HB2 ALA 32 6.545 16.814 -4.502 196 HB3 ALA 32 HB3 ALA 32 6.149 16.424 -6.176 197 H THR 33 HN THR 33 6.536 13.389 -4.095 198 HA THR 33 HA THR 33 7.923 13.959 -1.558 199 HB THR 33 HB THR 33 5.476 14.541 -1.590 200 HG1 THR 33 HG1 THR 33 6.127 12.406 0.151 201 HG21 THR 33 HG21 THR 33 3.793 12.968 -1.746 202 HG22 THR 33 HG22 THR 33 4.892 11.615 -1.484 203 HG23 THR 33 HG23 THR 33 4.901 12.471 -3.024 204 H CYS 34 HN CYS 34 7.063 11.631 -3.935 205 HA CYS 34 HA CYS 34 7.503 9.424 -4.174 206 HB2 CYS 34 HB2 CYS 34 9.597 10.341 -2.277 207 HB3 CYS 34 HB1 CYS 34 9.307 8.605 -2.321 208 H LYS 35 HN LYS 35 5.293 10.187 -2.712 209 HA LYS 35 HA LYS 35 4.775 7.811 -1.200 210 HB2 LYS 35 HB2 LYS 35 4.809 8.560 0.944 211 HB3 LYS 35 HB1 LYS 35 5.995 9.678 0.292 212 HG2 LYS 35 HG2 LYS 35 4.748 11.259 1.242 213 HG3 LYS 35 HG1 LYS 35 3.659 11.034 -0.126 214 HD2 LYS 35 HD2 LYS 35 2.240 10.858 1.706 215 HD3 LYS 35 HD1 LYS 35 2.600 9.173 1.326 216 HE2 LYS 35 HE2 LYS 35 4.387 10.566 3.241 217 HE3 LYS 35 HE1 LYS 35 2.766 10.147 3.796 218 HZ1 LYS 35 HZ1 LYS 35 5.011 8.414 3.143 219 HZ2 LYS 35 HZ2 LYS 35 3.482 7.856 2.683 220 HZ3 LYS 35 HZ3 LYS 35 3.796 8.222 4.304 221 H LEU 36 HN LEU 36 2.515 7.908 -0.211 222 HA LEU 36 HA LEU 36 0.651 8.472 -2.194 223 HB2 LEU 36 HB2 LEU 36 0.186 8.236 0.780 224 HB3 LEU 36 HB1 LEU 36 -1.056 8.126 -0.453 225 HG LEU 36 HG LEU 36 1.044 6.228 -0.999 226 HD11 LEU 36 HD11 LEU 36 1.540 6.177 1.324 227 HD12 LEU 36 HD12 LEU 36 0.559 4.755 0.969 228 HD13 LEU 36 HD13 LEU 36 -0.170 6.156 1.753 229 HD21 LEU 36 HD21 LEU 36 -1.044 4.699 -0.576 230 HD22 LEU 36 HD22 LEU 36 -0.969 5.748 -1.991 231 HD23 LEU 36 HD23 LEU 36 -1.906 6.237 -0.580 232 H THR 37 HN THR 37 -0.503 10.216 -2.766 233 HA THR 37 HA THR 37 0.232 12.786 -1.968 234 HB THR 37 HB THR 37 -2.179 13.289 -2.998 235 HG1 THR 37 HG1 THR 37 -2.808 11.100 -3.006 236 HG21 THR 37 HG21 THR 37 -0.169 13.946 -4.129 237 HG22 THR 37 HG22 THR 37 -1.232 13.119 -5.267 238 HG23 THR 37 HG23 THR 37 0.162 12.276 -4.591 239 HA PRO 38 HA PRO 38 -2.009 13.738 1.696 240 HB2 PRO 38 HB2 PRO 38 -3.109 16.183 1.152 241 HB3 PRO 38 HB1 PRO 38 -1.402 15.940 1.539 242 HG2 PRO 38 HG2 PRO 38 -2.712 16.265 -1.132 243 HG3 PRO 38 HG1 PRO 38 -1.197 16.968 -0.535 244 HD2 PRO 38 HD2 PRO 38 -1.226 14.830 -2.171 245 HD3 PRO 38 HD1 PRO 38 -0.003 15.021 -0.898 246 H GLY 39 HN GLY 39 -3.766 12.595 2.215 247 HA2 GLY 39 HA2 GLY 39 -6.217 12.845 2.451 248 HA3 GLY 39 HA1 GLY 39 -6.258 13.140 0.719 249 H SER 40 HN SER 40 -4.189 11.008 0.306 250 HA SER 40 HA SER 40 -5.999 8.703 0.602 251 HB2 SER 40 HB2 SER 40 -3.821 8.675 -1.432 252 HB3 SER 40 HB1 SER 40 -5.432 7.964 -1.498 253 HG SER 40 HG SER 40 -6.234 9.800 -2.221 254 H GLN 41 HN GLN 41 -5.160 6.717 1.230 255 HA GLN 41 HA GLN 41 -2.465 6.834 2.414 256 HB2 GLN 41 HB2 GLN 41 -5.007 5.532 3.319 257 HB3 GLN 41 HB1 GLN 41 -3.459 4.872 3.830 258 HG2 GLN 41 HG2 GLN 41 -4.138 7.766 4.206 259 HG3 GLN 41 HG1 GLN 41 -4.616 6.535 5.374 260 HE21 GLN 41 HE21 GLN 41 -2.057 8.442 4.126 261 HE22 GLN 41 HE22 GLN 41 -0.827 7.909 5.216 262 H CYS 42 HN CYS 42 -4.645 5.018 0.387 263 HA CYS 42 HA CYS 42 -2.554 2.982 -0.031 264 HB2 CYS 42 HB2 CYS 42 -4.140 1.390 -0.308 265 HB3 CYS 42 HB1 CYS 42 -5.061 2.477 0.720 266 H ASN 43 HN ASN 43 -3.111 1.918 -2.322 267 HA ASN 43 HA ASN 43 -3.933 3.348 -4.508 268 HB2 ASN 43 HB2 ASN 43 -2.282 5.045 -4.076 269 HB3 ASN 43 HB1 ASN 43 -1.010 3.838 -3.895 270 HD21 ASN 43 HD21 ASN 43 -0.032 3.006 -5.683 271 HD22 ASN 43 HD22 ASN 43 -0.329 3.575 -7.287 272 H TYR 44 HN TYR 44 -1.668 1.119 -3.107 273 HA TYR 44 HA TYR 44 -2.316 -0.868 -5.075 274 HB2 TYR 44 HB2 TYR 44 -0.452 -0.833 -6.325 275 HB3 TYR 44 HB1 TYR 44 -0.057 0.703 -5.567 276 HD1 TYR 44 HD2 TYR 44 0.322 -2.969 -5.023 277 HD2 TYR 44 HD1 TYR 44 1.964 0.912 -4.449 278 HE1 TYR 44 HE2 TYR 44 2.349 -3.976 -4.077 279 HE2 TYR 44 HE1 TYR 44 4.003 -0.083 -3.503 280 HH TYR 44 HH TYR 44 4.480 -2.471 -2.261 281 H GLY 45 HN GLY 45 -2.637 -2.674 -3.949 282 HA2 GLY 45 HA2 GLY 45 -1.214 -4.260 -2.483 283 HA3 GLY 45 HA1 GLY 45 -1.325 -2.940 -1.332 284 H GLU 46 HN GLU 46 -2.204 -5.390 -0.592 285 HA GLU 46 HA GLU 46 -4.878 -6.008 -1.117 286 HB2 GLU 46 HB2 GLU 46 -2.847 -6.764 0.857 287 HB3 GLU 46 HB1 GLU 46 -4.497 -6.897 1.449 288 HG2 GLU 46 HG2 GLU 46 -3.320 -8.245 -0.968 289 HG3 GLU 46 HG1 GLU 46 -3.828 -9.003 0.541 290 H CYS 47 HN CYS 47 -3.476 -4.052 1.507 291 HA CYS 47 HA CYS 47 -5.952 -3.555 2.788 292 HB2 CYS 47 HB2 CYS 47 -3.380 -3.197 3.511 293 HB3 CYS 47 HB1 CYS 47 -3.798 -1.543 3.080 294 H CYS 48 HN CYS 48 -4.599 -2.239 -0.065 295 HA CYS 48 HA CYS 48 -5.696 0.348 0.082 296 HB2 CYS 48 HB2 CYS 48 -3.896 -0.213 -1.470 297 HB3 CYS 48 HB1 CYS 48 -4.973 -1.300 -2.342 298 H ASP 49 HN ASP 49 -7.638 1.124 -0.259 299 HA ASP 49 HA ASP 49 -9.559 -0.182 -1.955 300 HB2 ASP 49 HB2 ASP 49 -9.684 -0.428 0.969 301 HB3 ASP 49 HB1 ASP 49 -11.165 0.197 0.252 302 H GLN 50 HN GLN 50 -9.992 1.549 -3.178 303 HA GLN 50 HA GLN 50 -10.786 3.585 -3.811 304 HB2 GLN 50 HB2 GLN 50 -12.574 2.966 -2.104 305 HB3 GLN 50 HB1 GLN 50 -11.706 3.988 -0.967 306 HG2 GLN 50 HG2 GLN 50 -13.105 5.567 -1.714 307 HG3 GLN 50 HG1 GLN 50 -11.947 5.687 -3.038 308 HE21 GLN 50 HE21 GLN 50 -14.900 4.012 -2.052 309 HE22 GLN 50 HE22 GLN 50 -15.575 3.896 -3.638 310 H CYS 51 HN CYS 51 -8.114 3.401 -3.119 311 HA CYS 51 HA CYS 51 -6.285 4.694 -2.736 312 HB2 CYS 51 HB2 CYS 51 -8.406 6.630 -3.319 313 HB3 CYS 51 HB1 CYS 51 -7.088 7.289 -2.356 314 H ARG 52 HN ARG 52 -8.131 3.685 -0.513 315 HA ARG 52 HA ARG 52 -6.733 5.079 1.648 316 HB2 ARG 52 HB2 ARG 52 -9.669 4.906 1.255 317 HB3 ARG 52 HB1 ARG 52 -9.080 4.624 2.888 318 HG2 ARG 52 HG2 ARG 52 -8.032 7.000 1.468 319 HG3 ARG 52 HG1 ARG 52 -9.719 7.039 1.986 320 HD2 ARG 52 HD2 ARG 52 -9.177 7.160 4.169 321 HD3 ARG 52 HD1 ARG 52 -7.820 6.048 3.998 322 HE ARG 52 HE ARG 52 -7.200 8.512 2.774 323 HH11 ARG 52 HH11 ARG 52 -7.612 7.079 5.929 324 HH12 ARG 52 HH12 ARG 52 -6.527 8.181 6.709 325 HH21 ARG 52 HH21 ARG 52 -5.774 9.963 3.797 326 HH22 ARG 52 HH22 ARG 52 -5.484 9.819 5.499 327 H PHE 53 HN PHE 53 -5.884 3.700 3.106 328 HA PHE 53 HA PHE 53 -5.902 0.935 2.656 329 HB2 PHE 53 HB2 PHE 53 -5.034 2.586 5.021 330 HB3 PHE 53 HB1 PHE 53 -4.903 0.829 5.019 331 HD1 PHE 53 HD2 PHE 53 -4.223 0.599 2.036 332 HD2 PHE 53 HD1 PHE 53 -2.711 3.045 5.172 333 HE1 PHE 53 HE2 PHE 53 -2.082 0.761 0.866 334 HE2 PHE 53 HE1 PHE 53 -0.553 3.212 4.001 335 HZ PHE 53 HZ PHE 53 -0.233 2.068 1.842 336 H LYS 54 HN LYS 54 -6.811 -0.783 3.745 337 HA LYS 54 HA LYS 54 -9.471 -0.334 4.704 338 HB2 LYS 54 HB2 LYS 54 -7.806 -2.624 3.967 339 HB3 LYS 54 HB1 LYS 54 -8.845 -2.953 5.348 340 HG2 LYS 54 HG2 LYS 54 -10.754 -2.813 4.121 341 HG3 LYS 54 HG1 LYS 54 -10.071 -1.649 2.985 342 HD2 LYS 54 HD2 LYS 54 -9.136 -4.503 3.088 343 HD3 LYS 54 HD1 LYS 54 -10.529 -4.013 2.122 344 HE2 LYS 54 HE2 LYS 54 -8.806 -2.177 1.278 345 HE3 LYS 54 HE1 LYS 54 -7.646 -3.415 1.754 346 HZ1 LYS 54 HZ1 LYS 54 -9.937 -4.176 0.083 347 HZ2 LYS 54 HZ2 LYS 54 -8.391 -4.858 0.159 348 HZ3 LYS 54 HZ3 LYS 54 -8.626 -3.385 -0.638 349 H LYS 55 HN LYS 55 -9.866 0.419 6.675 350 HA LYS 55 HA LYS 55 -8.267 0.890 8.756 351 HB2 LYS 55 HB2 LYS 55 -10.672 1.457 8.672 352 HB3 LYS 55 HB1 LYS 55 -11.064 -0.213 9.056 353 HG2 LYS 55 HG2 LYS 55 -10.333 -0.025 11.236 354 HG3 LYS 55 HG1 LYS 55 -9.295 1.356 10.878 355 HD2 LYS 55 HD2 LYS 55 -12.196 1.725 10.431 356 HD3 LYS 55 HD1 LYS 55 -11.667 1.582 12.109 357 HE2 LYS 55 HE2 LYS 55 -10.493 3.536 12.050 358 HE3 LYS 55 HE1 LYS 55 -10.131 3.394 10.330 359 HZ1 LYS 55 HZ1 LYS 55 -11.879 5.121 11.270 360 HZ2 LYS 55 HZ2 LYS 55 -12.923 3.805 11.068 361 HZ3 LYS 55 HZ3 LYS 55 -12.053 4.404 9.747 362 H ALA 56 HN ALA 56 -7.078 -0.169 10.201 363 HA ALA 56 HA ALA 56 -6.350 -2.764 10.087 364 HB1 ALA 56 HB1 ALA 56 -5.034 -1.644 11.567 365 HB2 ALA 56 HB2 ALA 56 -6.071 -2.496 12.711 366 HB3 ALA 56 HB3 ALA 56 -6.395 -0.807 12.314 367 H GLY 57 HN GLY 57 -7.207 -4.686 10.515 368 HA2 GLY 57 HA2 GLY 57 -8.552 -6.053 12.077 369 HA3 GLY 57 HA1 GLY 57 -9.724 -4.741 12.077 370 H THR 58 HN THR 58 -8.885 -4.586 9.045 371 HA THR 58 HA THR 58 -11.105 -6.181 8.126 372 HB THR 58 HB THR 58 -9.085 -4.518 6.598 373 HG1 THR 58 HG1 THR 58 -10.536 -2.913 6.730 374 HG21 THR 58 HG21 THR 58 -10.705 -6.385 5.493 375 HG22 THR 58 HG22 THR 58 -10.133 -4.926 4.680 376 HG23 THR 58 HG23 THR 58 -11.727 -4.948 5.435 377 H VAL 59 HN VAL 59 -10.763 -8.335 8.057 378 HA VAL 59 HA VAL 59 -8.294 -9.591 7.758 379 HB VAL 59 HB VAL 59 -10.229 -10.759 8.686 380 HG11 VAL 59 HG11 VAL 59 -11.382 -11.196 5.978 381 HG12 VAL 59 HG12 VAL 59 -11.743 -9.691 6.823 382 HG13 VAL 59 HG13 VAL 59 -12.163 -11.237 7.558 383 HG21 VAL 59 HG21 VAL 59 -8.368 -12.055 7.720 384 HG22 VAL 59 HG22 VAL 59 -9.235 -12.119 6.185 385 HG23 VAL 59 HG23 VAL 59 -9.911 -12.904 7.613 386 H CYS 60 HN CYS 60 -7.005 -9.812 6.081 387 HA CYS 60 HA CYS 60 -8.137 -9.499 3.376 388 HB2 CYS 60 HB2 CYS 60 -5.194 -9.405 3.873 389 HB3 CYS 60 HB1 CYS 60 -6.147 -8.575 2.652 390 H ARG 61 HN ARG 61 -6.366 -11.596 5.490 391 HA ARG 61 HA ARG 61 -6.660 -13.782 3.611 392 HB2 ARG 61 HB2 ARG 61 -3.906 -13.205 4.691 393 HB3 ARG 61 HB1 ARG 61 -4.366 -14.394 3.481 394 HG2 ARG 61 HG2 ARG 61 -4.986 -12.550 1.962 395 HG3 ARG 61 HG1 ARG 61 -4.395 -11.403 3.165 396 HD2 ARG 61 HD2 ARG 61 -2.761 -13.553 1.820 397 HD3 ARG 61 HD1 ARG 61 -2.727 -11.836 1.426 398 HE ARG 61 HE ARG 61 -2.095 -12.538 4.171 399 HH11 ARG 61 HH11 ARG 61 -0.883 -11.765 0.989 400 HH12 ARG 61 HH12 ARG 61 0.683 -11.305 1.565 401 HH21 ARG 61 HH21 ARG 61 -0.039 -11.939 4.924 402 HH22 ARG 61 HH22 ARG 61 1.164 -11.405 3.798 403 H ILE 62 HN ILE 62 -5.780 -15.854 4.589 404 HA ILE 62 HA ILE 62 -5.603 -15.983 7.460 405 HB ILE 62 HB ILE 62 -7.861 -17.529 6.204 406 HG12 ILE 62 HG12 ILE 62 -9.346 -15.863 7.469 407 HG13 ILE 62 HG11 ILE 62 -7.943 -14.804 7.490 408 HG21 ILE 62 HG21 ILE 62 -8.273 -18.335 8.266 409 HG22 ILE 62 HG22 ILE 62 -7.844 -16.820 9.061 410 HG23 ILE 62 HG23 ILE 62 -6.578 -17.927 8.531 411 HD11 ILE 62 HD11 ILE 62 -8.590 -14.052 5.518 412 HD12 ILE 62 HD12 ILE 62 -9.838 -15.293 5.395 413 HD13 ILE 62 HD13 ILE 62 -8.196 -15.634 4.846 414 H ALA 63 HN ALA 63 -4.227 -17.559 7.927 415 HA ALA 63 HA ALA 63 -2.857 -19.089 6.138 416 HB1 ALA 63 HB1 ALA 63 -1.734 -19.664 7.957 417 HB2 ALA 63 HB2 ALA 63 -3.098 -20.618 8.540 418 HB3 ALA 63 HB3 ALA 63 -2.986 -18.903 8.938 419 H ARG 64 HN ARG 64 -5.270 -20.580 8.289 420 HA ARG 64 HA ARG 64 -6.816 -21.796 6.323 421 HB2 ARG 64 HB2 ARG 64 -4.356 -22.945 6.232 422 HB3 ARG 64 HB1 ARG 64 -5.160 -23.998 7.386 423 HG2 ARG 64 HG2 ARG 64 -5.416 -24.935 5.210 424 HG3 ARG 64 HG1 ARG 64 -6.986 -24.320 5.731 425 HD2 ARG 64 HD2 ARG 64 -6.101 -22.147 4.472 426 HD3 ARG 64 HD1 ARG 64 -5.178 -23.359 3.585 427 HE ARG 64 HE ARG 64 -7.693 -24.350 3.542 428 HH11 ARG 64 HH11 ARG 64 -6.340 -21.245 2.700 429 HH12 ARG 64 HH12 ARG 64 -7.527 -20.918 1.482 430 HH21 ARG 64 HH21 ARG 64 -9.255 -23.922 1.941 431 HH22 ARG 64 HH22 ARG 64 -9.182 -22.437 1.051 432 H GLY 65 HN GLY 65 -7.996 -20.831 8.248 433 HA2 GLY 65 HA2 GLY 65 -9.584 -22.493 9.547 434 HA3 GLY 65 HA1 GLY 65 -8.142 -22.637 10.541 435 H ASP 66 HN ASP 66 -7.984 -21.313 12.209 436 HA ASP 66 HA ASP 66 -8.736 -18.582 12.134 437 HB2 ASP 66 HB2 ASP 66 -10.688 -20.548 13.203 438 HB3 ASP 66 HB1 ASP 66 -10.451 -19.076 14.139 439 H TRP 67 HN TRP 67 -6.552 -18.575 12.858 440 HA TRP 67 HA TRP 67 -6.254 -19.197 15.724 441 HB2 TRP 67 HB2 TRP 67 -3.684 -18.998 14.597 442 HB3 TRP 67 HB1 TRP 67 -4.487 -20.459 15.155 443 HD1 TRP 67 HD1 TRP 67 -4.269 -18.364 11.890 444 HE1 TRP 67 HE1 TRP 67 -4.408 -19.989 9.909 445 HE3 TRP 67 HE3 TRP 67 -4.962 -22.713 14.465 446 HZ2 TRP 67 HZ2 TRP 67 -4.760 -22.752 9.487 447 HZ3 TRP 67 HZ3 TRP 67 -5.191 -24.814 13.198 448 HH2 TRP 67 HH2 TRP 67 -5.091 -24.830 10.757 449 H ASN 68 HN ASN 68 -4.502 -17.318 13.302 450 HA ASN 68 HA ASN 68 -4.573 -14.999 15.115 451 HB2 ASN 68 HB2 ASN 68 -2.562 -15.296 12.902 452 HB3 ASN 68 HB1 ASN 68 -2.450 -14.344 14.378 453 HD21 ASN 68 HD21 ASN 68 -2.481 -17.633 13.126 454 HD22 ASN 68 HD22 ASN 68 -1.531 -18.319 14.396 455 H ASP 69 HN ASP 69 -4.898 -16.124 11.805 456 HA ASP 69 HA ASP 69 -5.956 -15.274 9.985 457 HB2 ASP 69 HB2 ASP 69 -7.319 -13.902 12.248 458 HB3 ASP 69 HB1 ASP 69 -7.614 -13.296 10.621 459 H ASP 70 HN ASP 70 -5.633 -13.742 8.414 460 HA ASP 70 HA ASP 70 -3.580 -11.792 8.974 461 HB2 ASP 70 HB2 ASP 70 -3.775 -13.271 6.858 462 HB3 ASP 70 HB1 ASP 70 -4.985 -12.110 6.338 463 H TYR 71 HN TYR 71 -3.865 -9.648 9.259 464 HA TYR 71 HA TYR 71 -6.466 -8.516 8.521 465 HB2 TYR 71 HB2 TYR 71 -5.242 -8.636 11.238 466 HB3 TYR 71 HB1 TYR 71 -6.275 -7.274 10.806 467 HD1 TYR 71 HD1 TYR 71 -8.561 -7.828 9.839 468 HD2 TYR 71 HD2 TYR 71 -6.197 -10.625 11.972 469 HE1 TYR 71 HE1 TYR 71 -10.572 -9.155 10.277 470 HE2 TYR 71 HE2 TYR 71 -8.187 -11.985 12.418 471 HH TYR 71 HH TYR 71 -11.333 -10.847 11.962 472 H CYS 72 HN CYS 72 -6.575 -6.373 8.133 473 HA CYS 72 HA CYS 72 -4.269 -5.088 7.127 474 HB2 CYS 72 HB2 CYS 72 -7.133 -4.559 7.336 475 HB3 CYS 72 HB1 CYS 72 -6.167 -3.099 7.522 476 H THR 73 HN THR 73 -3.469 -2.961 7.864 477 HA THR 73 HA THR 73 -3.557 -2.737 10.800 478 HB THR 73 HB THR 73 -1.255 -2.103 10.816 479 HG1 THR 73 HG1 THR 73 -1.400 -2.157 7.985 480 HG21 THR 73 HG21 THR 73 -0.713 -4.144 8.870 481 HG22 THR 73 HG22 THR 73 -2.059 -4.608 9.912 482 HG23 THR 73 HG23 THR 73 -0.503 -4.173 10.621 483 H GLY 74 HN GLY 74 -4.203 -1.169 7.869 484 HA2 GLY 74 HA2 GLY 74 -5.048 0.925 7.450 485 HA3 GLY 74 HA1 GLY 74 -5.101 1.182 9.186 486 H LYS 75 HN LYS 75 -2.004 0.297 8.174 487 HA LYS 75 HA LYS 75 -1.194 3.111 7.889 488 HB2 LYS 75 HB2 LYS 75 0.503 1.117 9.362 489 HB3 LYS 75 HB1 LYS 75 0.595 2.872 9.390 490 HG2 LYS 75 HG2 LYS 75 -0.593 2.853 11.254 491 HG3 LYS 75 HG1 LYS 75 -1.963 2.234 10.329 492 HD2 LYS 75 HD2 LYS 75 -1.721 0.653 12.012 493 HD3 LYS 75 HD1 LYS 75 -0.843 -0.073 10.664 494 HE2 LYS 75 HE2 LYS 75 0.507 1.602 12.765 495 HE3 LYS 75 HE1 LYS 75 0.289 -0.139 12.937 496 HZ1 LYS 75 HZ1 LYS 75 1.916 1.322 10.952 497 HZ2 LYS 75 HZ2 LYS 75 1.427 -0.273 10.676 498 HZ3 LYS 75 HZ3 LYS 75 2.394 0.094 12.013 499 H SER 76 HN SER 76 -1.526 0.550 6.144 500 HA SER 76 HA SER 76 0.468 1.165 4.274 501 HB2 SER 76 HB2 SER 76 1.736 -1.043 4.444 502 HB3 SER 76 HB1 SER 76 2.097 0.161 5.681 503 HG SER 76 HG SER 76 1.349 -1.149 7.141 504 H SER 77 HN SER 77 0.561 -0.516 2.499 505 HA SER 77 HA SER 77 -2.142 -1.485 2.025 506 HB2 SER 77 HB2 SER 77 -1.645 -1.393 -0.219 507 HB3 SER 77 HB1 SER 77 -0.477 -0.215 0.375 508 HG SER 77 HG SER 77 1.099 -1.844 0.345 509 H ASP 78 HN ASP 78 0.158 -2.763 3.757 510 HA ASP 78 HA ASP 78 0.145 -5.420 2.529 511 HB2 ASP 78 HB2 ASP 78 1.814 -4.172 4.706 512 HB3 ASP 78 HB1 ASP 78 1.811 -5.909 4.416 513 H CYS 79 HN CYS 79 -0.462 -7.262 3.710 514 HA CYS 79 HA CYS 79 -2.109 -6.752 6.099 515 HB2 CYS 79 HB2 CYS 79 -2.799 -8.326 3.625 516 HB3 CYS 79 HB1 CYS 79 -3.596 -8.638 5.163 517 HA PRO 80 HA PRO 80 0.849 -10.032 7.252 518 HB2 PRO 80 HB2 PRO 80 0.806 -9.526 9.900 519 HB3 PRO 80 HB1 PRO 80 1.736 -8.537 8.769 520 HG2 PRO 80 HG2 PRO 80 -0.963 -8.012 9.960 521 HG3 PRO 80 HG1 PRO 80 0.413 -6.907 9.784 522 HD2 PRO 80 HD2 PRO 80 -1.681 -6.908 8.068 523 HD3 PRO 80 HD1 PRO 80 -0.031 -6.506 7.559 524 H TRP 81 HN TRP 81 0.296 -12.089 7.564 525 HA TRP 81 HA TRP 81 -2.286 -13.024 8.052 526 HB2 TRP 81 HB2 TRP 81 -0.182 -14.832 9.013 527 HB3 TRP 81 HB1 TRP 81 -1.427 -15.099 7.803 528 HD1 TRP 81 HD1 TRP 81 2.180 -13.862 8.172 529 HE1 TRP 81 HE1 TRP 81 3.283 -13.893 5.845 530 HE3 TRP 81 HE3 TRP 81 -1.928 -14.936 5.361 531 HZ2 TRP 81 HZ2 TRP 81 2.502 -14.325 3.173 532 HZ3 TRP 81 HZ3 TRP 81 -1.676 -15.150 2.917 533 HH2 TRP 81 HH2 TRP 81 0.499 -14.847 1.846 534 H ASN 82 HN ASN 82 0.132 -11.967 10.239 535 HA ASN 82 HA ASN 82 -0.019 -11.486 12.484 536 HB2 ASN 82 HB2 ASN 82 -2.580 -11.507 12.070 537 HB3 ASN 82 HB1 ASN 82 -2.523 -13.146 12.712 538 HD21 ASN 82 HD21 ASN 82 -3.057 -10.020 13.498 539 HD22 ASN 82 HD22 ASN 82 -2.711 -10.076 15.190 540 H HIS 83 HN HIS 83 1.142 -13.799 11.106 541 HA HIS 83 HA HIS 83 1.052 -15.877 13.166 542 HB2 HIS 83 HB2 HIS 83 2.310 -15.931 10.410 543 HB3 HIS 83 HB1 HIS 83 2.152 -17.302 11.507 544 HD1 HIS 83 HD1 HIS 83 0.895 -17.152 8.612 545 HD2 HIS 83 HD2 HIS 83 -1.111 -16.431 12.177 546 HE1 HIS 83 HE1 HIS 83 -1.539 -17.521 8.103 547 HE2 HIS 83 HE2 HIS 83 -2.722 -17.183 10.300 Start of MODEL 8 1 H1 SER 1 HT1 SER 1 20.033 2.075 -10.856 2 H2 SER 1 HT2 SER 1 18.605 2.931 -10.439 3 H3 SER 1 HT3 SER 1 18.985 2.644 -12.088 4 HA SER 1 HA SER 1 18.608 0.382 -11.897 5 HB2 SER 1 HB2 SER 1 19.653 0.499 -9.486 6 HB3 SER 1 HB1 SER 1 17.972 0.642 -8.977 7 HG SER 1 HG SER 1 17.541 -1.333 -9.939 8 HA PRO 2 HA PRO 2 14.371 1.040 -12.882 9 HB2 PRO 2 HB2 PRO 2 13.575 -1.359 -11.438 10 HB3 PRO 2 HB1 PRO 2 13.556 -1.043 -13.171 11 HG2 PRO 2 HG2 PRO 2 15.513 -2.502 -11.599 12 HG3 PRO 2 HG1 PRO 2 15.355 -2.394 -13.358 13 HD2 PRO 2 HD2 PRO 2 17.412 -1.282 -11.926 14 HD3 PRO 2 HD1 PRO 2 16.862 -0.679 -13.503 15 HA PRO 3 HA PRO 3 12.493 0.940 -8.407 16 HB2 PRO 3 HB2 PRO 3 14.803 0.530 -6.643 17 HB3 PRO 3 HB1 PRO 3 13.253 -0.307 -6.673 18 HG2 PRO 3 HG2 PRO 3 15.529 -1.504 -7.446 19 HG3 PRO 3 HG1 PRO 3 13.964 -1.871 -8.195 20 HD2 PRO 3 HD2 PRO 3 16.174 -0.115 -9.186 21 HD3 PRO 3 HD1 PRO 3 15.177 -1.281 -10.076 22 H VAL 4 HN VAL 4 13.197 3.086 -9.728 23 HA VAL 4 HA VAL 4 14.468 4.881 -7.768 24 HB VAL 4 HB VAL 4 14.913 6.362 -9.815 25 HG11 VAL 4 HG11 VAL 4 16.358 3.913 -8.974 26 HG12 VAL 4 HG12 VAL 4 16.855 5.604 -8.905 27 HG13 VAL 4 HG13 VAL 4 16.915 4.729 -10.435 28 HG21 VAL 4 HG21 VAL 4 13.497 4.425 -11.133 29 HG22 VAL 4 HG22 VAL 4 15.165 3.992 -11.506 30 HG23 VAL 4 HG23 VAL 4 14.564 5.605 -11.893 31 H CYS 5 HN CYS 5 13.598 6.987 -7.537 32 HA CYS 5 HA CYS 5 10.738 7.080 -7.936 33 HB2 CYS 5 HB2 CYS 5 12.699 8.482 -6.294 34 HB3 CYS 5 HB1 CYS 5 11.559 9.599 -7.036 35 H GLY 6 HN GLY 6 10.540 7.094 -10.127 36 HA2 GLY 6 HA2 GLY 6 9.973 9.127 -11.641 37 HA3 GLY 6 HA1 GLY 6 11.726 9.307 -11.632 38 H ASN 7 HN ASN 7 10.194 6.209 -11.471 39 HA ASN 7 HA ASN 7 10.815 5.637 -14.282 40 HB2 ASN 7 HB2 ASN 7 12.647 4.779 -12.835 41 HB3 ASN 7 HB1 ASN 7 11.468 3.850 -11.907 42 HD21 ASN 7 HD21 ASN 7 13.140 4.159 -14.948 43 HD22 ASN 7 HD22 ASN 7 12.777 2.576 -15.537 44 H LYS 8 HN LYS 8 8.453 6.092 -12.305 45 HA LYS 8 HA LYS 8 6.279 5.490 -12.317 46 HB2 LYS 8 HB2 LYS 8 6.963 3.098 -14.030 47 HB3 LYS 8 HB1 LYS 8 5.393 3.861 -13.828 48 HG2 LYS 8 HG2 LYS 8 6.670 5.949 -14.816 49 HG3 LYS 8 HG1 LYS 8 7.706 4.689 -15.491 50 HD2 LYS 8 HD2 LYS 8 5.241 3.694 -16.045 51 HD3 LYS 8 HD1 LYS 8 4.941 5.429 -16.162 52 HE2 LYS 8 HE2 LYS 8 7.072 3.883 -17.635 53 HE3 LYS 8 HE1 LYS 8 5.576 4.510 -18.326 54 HZ1 LYS 8 HZ1 LYS 8 6.929 6.211 -18.873 55 HZ2 LYS 8 HZ2 LYS 8 8.025 5.913 -17.620 56 HZ3 LYS 8 HZ3 LYS 8 6.580 6.733 -17.302 57 H ILE 9 HN ILE 9 8.610 4.407 -10.749 58 HA ILE 9 HA ILE 9 7.138 2.307 -9.326 59 HB ILE 9 HB ILE 9 10.122 2.391 -9.835 60 HG12 ILE 9 HG12 ILE 9 8.482 0.016 -10.514 61 HG13 ILE 9 HG11 ILE 9 8.239 1.441 -11.521 62 HG21 ILE 9 HG21 ILE 9 9.940 1.587 -7.657 63 HG22 ILE 9 HG22 ILE 9 9.994 0.122 -8.639 64 HG23 ILE 9 HG23 ILE 9 8.454 0.702 -8.004 65 HD11 ILE 9 HD11 ILE 9 10.559 -0.361 -11.305 66 HD12 ILE 9 HD12 ILE 9 10.911 1.354 -11.522 67 HD13 ILE 9 HD13 ILE 9 9.911 0.502 -12.699 68 H LEU 10 HN LEU 10 7.475 2.315 -7.065 69 HA LEU 10 HA LEU 10 7.955 4.931 -5.988 70 HB2 LEU 10 HB2 LEU 10 7.682 3.513 -3.777 71 HB3 LEU 10 HB1 LEU 10 6.306 3.978 -4.756 72 HG LEU 10 HG LEU 10 7.594 1.356 -5.322 73 HD11 LEU 10 HD11 LEU 10 7.404 1.476 -2.857 74 HD12 LEU 10 HD12 LEU 10 6.365 0.248 -3.582 75 HD13 LEU 10 HD13 LEU 10 5.676 1.778 -3.038 76 HD21 LEU 10 HD21 LEU 10 5.516 0.790 -6.160 77 HD22 LEU 10 HD22 LEU 10 5.611 2.511 -6.539 78 HD23 LEU 10 HD23 LEU 10 4.671 1.962 -5.149 79 H GLU 11 HN GLU 11 10.221 4.649 -7.040 80 HA GLU 11 HA GLU 11 12.456 4.003 -6.879 81 HB2 GLU 11 HB2 GLU 11 12.193 6.251 -5.899 82 HB3 GLU 11 HB1 GLU 11 11.984 5.517 -4.319 83 HG2 GLU 11 HG2 GLU 11 14.174 5.059 -4.079 84 HG3 GLU 11 HG1 GLU 11 14.403 4.742 -5.798 85 H GLN 12 HN GLN 12 11.440 1.735 -6.410 86 HA GLN 12 HA GLN 12 11.905 -0.278 -5.471 87 HB2 GLN 12 HB2 GLN 12 14.157 1.112 -4.877 88 HB3 GLN 12 HB1 GLN 12 13.592 0.700 -3.265 89 HG2 GLN 12 HG2 GLN 12 13.523 -1.541 -5.126 90 HG3 GLN 12 HG1 GLN 12 15.137 -0.880 -4.869 91 HE21 GLN 12 HE21 GLN 12 12.351 -2.317 -3.317 92 HE22 GLN 12 HE22 GLN 12 13.172 -2.838 -1.889 93 H GLY 13 HN GLY 13 12.219 1.676 -2.531 94 HA2 GLY 13 HA2 GLY 13 9.649 0.550 -1.621 95 HA3 GLY 13 HA1 GLY 13 11.073 0.466 -0.595 96 H GLU 14 HN GLU 14 9.377 2.937 -2.518 97 HA GLU 14 HA GLU 14 9.895 4.870 -0.383 98 HB2 GLU 14 HB2 GLU 14 9.323 5.026 -3.287 99 HB3 GLU 14 HB1 GLU 14 8.771 6.368 -2.291 100 HG2 GLU 14 HG2 GLU 14 11.587 5.323 -2.455 101 HG3 GLU 14 HG1 GLU 14 10.980 6.796 -3.211 102 H ASP 15 HN ASP 15 7.276 3.297 -2.063 103 HA ASP 15 HA ASP 15 5.214 2.729 -1.197 104 HB2 ASP 15 HB2 ASP 15 6.212 3.717 1.053 105 HB3 ASP 15 HB1 ASP 15 5.099 5.031 0.684 106 H CYS 16 HN CYS 16 6.050 4.964 -3.156 107 HA CYS 16 HA CYS 16 3.778 5.494 -4.426 108 HB2 CYS 16 HB2 CYS 16 3.774 7.029 -1.932 109 HB3 CYS 16 HB1 CYS 16 3.436 7.995 -3.363 110 H ASP 17 HN ASP 17 4.479 6.257 -6.298 111 HA ASP 17 HA ASP 17 6.041 8.655 -6.459 112 HB2 ASP 17 HB2 ASP 17 7.810 7.025 -5.930 113 HB3 ASP 17 HB1 ASP 17 7.322 6.055 -7.316 114 H CYS 18 HN CYS 18 6.497 9.287 -8.676 115 HA CYS 18 HA CYS 18 4.728 8.009 -10.655 116 HB2 CYS 18 HB2 CYS 18 5.103 10.944 -10.064 117 HB3 CYS 18 HB1 CYS 18 4.434 10.363 -11.581 118 H GLY 19 HN GLY 19 5.384 8.447 -12.913 119 HA2 GLY 19 HA2 GLY 19 8.085 7.912 -13.378 120 HA3 GLY 19 HA1 GLY 19 6.962 8.521 -14.587 121 H SER 20 HN SER 20 6.327 10.981 -13.650 122 HA SER 20 HA SER 20 8.849 12.404 -13.219 123 HB2 SER 20 HB2 SER 20 7.077 12.603 -15.602 124 HB3 SER 20 HB1 SER 20 7.748 14.107 -14.971 125 HG SER 20 HG SER 20 8.945 12.291 -16.482 126 HA PRO 21 HA PRO 21 6.391 14.304 -9.986 127 HB2 PRO 21 HB2 PRO 21 8.265 16.541 -10.648 128 HB3 PRO 21 HB1 PRO 21 7.787 15.908 -9.069 129 HG2 PRO 21 HG2 PRO 21 10.143 15.270 -10.144 130 HG3 PRO 21 HG1 PRO 21 9.203 14.085 -9.220 131 HD2 PRO 21 HD2 PRO 21 9.675 14.256 -12.140 132 HD3 PRO 21 HD1 PRO 21 9.328 12.840 -11.129 133 H ALA 22 HN ALA 22 7.095 15.814 -13.086 134 HA ALA 22 HA ALA 22 5.011 17.800 -12.776 135 HB1 ALA 22 HB1 ALA 22 6.751 17.123 -15.146 136 HB2 ALA 22 HB2 ALA 22 7.036 18.407 -13.970 137 HB3 ALA 22 HB3 ALA 22 5.643 18.492 -15.049 138 H ASN 23 HN ASN 23 5.463 14.689 -14.275 139 HA ASN 23 HA ASN 23 2.773 14.846 -15.448 140 HB2 ASN 23 HB2 ASN 23 5.239 13.326 -16.181 141 HB3 ASN 23 HB1 ASN 23 3.672 12.622 -16.567 142 HD21 ASN 23 HD21 ASN 23 5.892 13.774 -18.218 143 HD22 ASN 23 HD22 ASN 23 5.114 14.920 -19.251 144 H CYS 24 HN CYS 24 3.614 14.278 -12.615 145 HA CYS 24 HA CYS 24 3.244 11.576 -12.011 146 HB2 CYS 24 HB2 CYS 24 4.218 13.149 -10.424 147 HB3 CYS 24 HB1 CYS 24 2.691 14.018 -10.324 148 H GLN 25 HN GLN 25 1.529 10.850 -13.260 149 HA GLN 25 HA GLN 25 -1.115 11.947 -12.848 150 HB2 GLN 25 HB2 GLN 25 0.154 10.096 -14.724 151 HB3 GLN 25 HB1 GLN 25 -1.458 9.589 -14.239 152 HG2 GLN 25 HG2 GLN 25 -2.329 11.785 -14.896 153 HG3 GLN 25 HG1 GLN 25 -0.713 12.249 -15.429 154 HE21 GLN 25 HE21 GLN 25 0.281 10.581 -16.978 155 HE22 GLN 25 HE22 GLN 25 -0.753 10.036 -18.250 156 H ASP 26 HN ASP 26 -0.323 11.262 -10.425 157 HA ASP 26 HA ASP 26 -2.074 9.035 -9.771 158 HB2 ASP 26 HB2 ASP 26 0.563 8.472 -9.939 159 HB3 ASP 26 HB1 ASP 26 0.485 9.039 -8.274 160 H ARG 27 HN ARG 27 -3.490 10.409 -8.791 161 HA ARG 27 HA ARG 27 -2.782 12.528 -7.079 162 HB2 ARG 27 HB2 ARG 27 -5.123 12.612 -6.481 163 HB3 ARG 27 HB1 ARG 27 -4.971 12.316 -8.208 164 HG2 ARG 27 HG2 ARG 27 -5.542 10.022 -7.947 165 HG3 ARG 27 HG1 ARG 27 -5.440 10.138 -6.189 166 HD2 ARG 27 HD2 ARG 27 -7.364 11.557 -6.105 167 HD3 ARG 27 HD1 ARG 27 -7.397 11.701 -7.862 168 HE ARG 27 HE ARG 27 -8.449 9.551 -6.281 169 HH11 ARG 27 HH11 ARG 27 -7.182 10.424 -9.413 170 HH12 ARG 27 HH12 ARG 27 -7.994 9.137 -10.239 171 HH21 ARG 27 HH21 ARG 27 -9.517 7.857 -7.365 172 HH22 ARG 27 HH22 ARG 27 -9.320 7.680 -9.077 173 H CYS 28 HN CYS 28 -2.775 9.159 -6.562 174 HA CYS 28 HA CYS 28 -3.009 9.448 -3.663 175 HB2 CYS 28 HB2 CYS 28 -2.734 6.939 -5.329 176 HB3 CYS 28 HB1 CYS 28 -3.066 7.005 -3.602 177 H CYS 29 HN CYS 29 -0.632 9.089 -6.131 178 HA CYS 29 HA CYS 29 1.423 8.755 -4.052 179 HB2 CYS 29 HB2 CYS 29 1.271 7.415 -6.747 180 HB3 CYS 29 HB1 CYS 29 2.771 7.533 -5.836 181 H ASN 30 HN ASN 30 2.897 10.298 -4.011 182 HA ASN 30 HA ASN 30 3.177 12.024 -6.381 183 HB2 ASN 30 HB2 ASN 30 2.241 13.170 -4.410 184 HB3 ASN 30 HB1 ASN 30 3.664 12.720 -3.478 185 HD21 ASN 30 HD21 ASN 30 5.005 14.337 -3.228 186 HD22 ASN 30 HD22 ASN 30 5.342 15.576 -4.383 187 H ALA 31 HN ALA 31 5.074 12.119 -7.360 188 HA ALA 31 HA ALA 31 7.253 10.477 -6.526 189 HB1 ALA 31 HB1 ALA 31 7.969 12.433 -8.533 190 HB2 ALA 31 HB2 ALA 31 6.430 11.661 -8.907 191 HB3 ALA 31 HB3 ALA 31 7.871 10.678 -8.661 192 H ALA 32 HN ALA 32 6.688 13.962 -6.662 193 HA ALA 32 HA ALA 32 9.164 14.920 -5.918 194 HB1 ALA 32 HB1 ALA 32 6.593 15.969 -6.231 195 HB2 ALA 32 HB2 ALA 32 8.096 16.863 -6.003 196 HB3 ALA 32 HB3 ALA 32 7.103 16.438 -4.609 197 H THR 33 HN THR 33 6.951 13.104 -4.005 198 HA THR 33 HA THR 33 8.522 13.734 -1.593 199 HB THR 33 HB THR 33 6.089 14.410 -1.539 200 HG1 THR 33 HG1 THR 33 6.784 12.400 0.331 201 HG21 THR 33 HG21 THR 33 5.370 11.564 -1.077 202 HG22 THR 33 HG22 THR 33 5.425 12.170 -2.732 203 HG23 THR 33 HG23 THR 33 4.357 12.928 -1.552 204 H CYS 34 HN CYS 34 7.365 11.314 -3.758 205 HA CYS 34 HA CYS 34 7.765 9.090 -3.933 206 HB2 CYS 34 HB2 CYS 34 9.884 9.757 -1.884 207 HB3 CYS 34 HB1 CYS 34 9.699 8.166 -2.606 208 H LYS 35 HN LYS 35 5.724 10.065 -2.282 209 HA LYS 35 HA LYS 35 5.184 7.706 -0.717 210 HB2 LYS 35 HB2 LYS 35 5.196 10.341 0.766 211 HB3 LYS 35 HB1 LYS 35 4.918 8.738 1.428 212 HG2 LYS 35 HG2 LYS 35 7.263 8.159 0.901 213 HG3 LYS 35 HG1 LYS 35 7.515 9.821 0.361 214 HD2 LYS 35 HD2 LYS 35 7.830 10.508 2.454 215 HD3 LYS 35 HD1 LYS 35 6.297 9.801 2.964 216 HE2 LYS 35 HE2 LYS 35 7.333 7.684 3.373 217 HE3 LYS 35 HE1 LYS 35 8.844 8.225 2.643 218 HZ1 LYS 35 HZ1 LYS 35 8.546 10.049 4.548 219 HZ2 LYS 35 HZ2 LYS 35 9.381 8.598 4.783 220 HZ3 LYS 35 HZ3 LYS 35 7.776 8.741 5.295 221 H LEU 36 HN LEU 36 2.986 7.993 0.432 222 HA LEU 36 HA LEU 36 1.049 8.638 -1.474 223 HB2 LEU 36 HB2 LEU 36 0.866 8.257 1.508 224 HB3 LEU 36 HB1 LEU 36 -0.544 8.525 0.502 225 HG LEU 36 HG LEU 36 1.276 6.306 -0.272 226 HD11 LEU 36 HD11 LEU 36 0.238 4.779 1.309 227 HD12 LEU 36 HD12 LEU 36 -0.646 6.118 2.043 228 HD13 LEU 36 HD13 LEU 36 1.113 6.055 2.157 229 HD21 LEU 36 HD21 LEU 36 -0.647 6.785 -1.641 230 HD22 LEU 36 HD22 LEU 36 -1.712 6.707 -0.238 231 HD23 LEU 36 HD23 LEU 36 -0.897 5.251 -0.809 232 H THR 37 HN THR 37 -0.346 10.364 -1.731 233 HA THR 37 HA THR 37 0.654 12.906 -0.761 234 HB THR 37 HB THR 37 -0.712 13.922 -2.395 235 HG1 THR 37 HG1 THR 37 -2.660 13.217 -2.599 236 HG21 THR 37 HG21 THR 37 1.060 12.088 -3.211 237 HG22 THR 37 HG22 THR 37 0.109 13.087 -4.311 238 HG23 THR 37 HG23 THR 37 -0.407 11.441 -3.945 239 HA PRO 38 HA PRO 38 -2.160 13.848 2.481 240 HB2 PRO 38 HB2 PRO 38 -3.170 16.155 0.890 241 HB3 PRO 38 HB1 PRO 38 -2.527 16.117 2.536 242 HG2 PRO 38 HG2 PRO 38 -1.062 17.071 0.529 243 HG3 PRO 38 HG1 PRO 38 -0.322 16.100 1.816 244 HD2 PRO 38 HD2 PRO 38 -1.020 15.326 -0.983 245 HD3 PRO 38 HD1 PRO 38 0.364 14.833 0.014 246 H GLY 39 HN GLY 39 -3.892 12.598 2.801 247 HA2 GLY 39 HA2 GLY 39 -6.285 12.395 2.697 248 HA3 GLY 39 HA1 GLY 39 -6.222 12.981 1.041 249 H SER 40 HN SER 40 -3.892 11.198 0.473 250 HA SER 40 HA SER 40 -5.463 8.778 -0.018 251 HB2 SER 40 HB2 SER 40 -2.868 9.737 -1.247 252 HB3 SER 40 HB1 SER 40 -3.702 8.247 -1.687 253 HG SER 40 HG SER 40 -4.850 10.837 -1.861 254 H GLN 41 HN GLN 41 -5.033 6.905 0.965 255 HA GLN 41 HA GLN 41 -2.577 6.738 2.584 256 HB2 GLN 41 HB2 GLN 41 -5.368 5.760 3.055 257 HB3 GLN 41 HB1 GLN 41 -4.017 4.926 3.810 258 HG2 GLN 41 HG2 GLN 41 -3.439 7.494 4.431 259 HG3 GLN 41 HG1 GLN 41 -5.201 7.541 4.410 260 HE21 GLN 41 HE21 GLN 41 -5.733 4.957 5.291 261 HE22 GLN 41 HE22 GLN 41 -5.238 4.819 6.940 262 H CYS 42 HN CYS 42 -4.486 5.223 0.121 263 HA CYS 42 HA CYS 42 -2.506 3.042 -0.013 264 HB2 CYS 42 HB2 CYS 42 -4.075 1.455 -0.041 265 HB3 CYS 42 HB1 CYS 42 -5.136 2.677 0.639 266 H ASN 43 HN ASN 43 -2.613 1.947 -2.200 267 HA ASN 43 HA ASN 43 -3.500 3.269 -4.503 268 HB2 ASN 43 HB2 ASN 43 -1.881 4.982 -4.042 269 HB3 ASN 43 HB1 ASN 43 -0.619 3.788 -3.742 270 HD21 ASN 43 HD21 ASN 43 0.613 3.141 -5.387 271 HD22 ASN 43 HD22 ASN 43 0.361 3.563 -7.044 272 H TYR 44 HN TYR 44 -1.198 1.141 -2.966 273 HA TYR 44 HA TYR 44 -1.785 -0.940 -4.864 274 HB2 TYR 44 HB2 TYR 44 0.092 -0.883 -6.091 275 HB3 TYR 44 HB1 TYR 44 0.470 0.662 -5.341 276 HD1 TYR 44 HD1 TYR 44 0.874 -3.005 -4.815 277 HD2 TYR 44 HD2 TYR 44 2.436 0.889 -4.120 278 HE1 TYR 44 HE1 TYR 44 2.882 -3.998 -3.812 279 HE2 TYR 44 HE2 TYR 44 4.453 -0.092 -3.117 280 HH TYR 44 HH TYR 44 5.117 -2.215 -2.014 281 H GLY 45 HN GLY 45 -2.102 -2.704 -3.666 282 HA2 GLY 45 HA2 GLY 45 -0.586 -4.151 -2.091 283 HA3 GLY 45 HA1 GLY 45 -0.906 -2.818 -0.993 284 H GLU 46 HN GLU 46 -1.594 -5.423 -0.377 285 HA GLU 46 HA GLU 46 -4.179 -6.239 -1.019 286 HB2 GLU 46 HB2 GLU 46 -2.147 -6.923 0.912 287 HB3 GLU 46 HB1 GLU 46 -3.736 -6.977 1.660 288 HG2 GLU 46 HG2 GLU 46 -2.774 -8.520 -0.730 289 HG3 GLU 46 HG1 GLU 46 -3.256 -9.145 0.847 290 H CYS 47 HN CYS 47 -3.056 -4.209 1.660 291 HA CYS 47 HA CYS 47 -5.630 -3.859 2.810 292 HB2 CYS 47 HB2 CYS 47 -2.909 -2.803 3.240 293 HB3 CYS 47 HB1 CYS 47 -4.219 -1.759 3.775 294 H CYS 48 HN CYS 48 -4.041 -2.353 0.148 295 HA CYS 48 HA CYS 48 -5.300 0.162 0.260 296 HB2 CYS 48 HB2 CYS 48 -3.345 -0.078 -1.089 297 HB3 CYS 48 HB1 CYS 48 -4.065 -1.396 -2.008 298 H ASP 49 HN ASP 49 -7.267 0.797 -0.220 299 HA ASP 49 HA ASP 49 -8.883 -0.578 -2.180 300 HB2 ASP 49 HB2 ASP 49 -9.229 -1.703 0.123 301 HB3 ASP 49 HB1 ASP 49 -10.075 -0.222 0.562 302 H GLN 50 HN GLN 50 -9.459 1.083 -3.416 303 HA GLN 50 HA GLN 50 -10.345 3.064 -4.097 304 HB2 GLN 50 HB2 GLN 50 -12.051 2.262 -2.225 305 HB3 GLN 50 HB1 GLN 50 -11.427 3.677 -1.387 306 HG2 GLN 50 HG2 GLN 50 -12.246 5.144 -2.994 307 HG3 GLN 50 HG1 GLN 50 -12.424 3.871 -4.201 308 HE21 GLN 50 HE21 GLN 50 -14.413 5.747 -3.432 309 HE22 GLN 50 HE22 GLN 50 -15.731 4.861 -2.751 310 H CYS 51 HN CYS 51 -7.704 3.098 -3.323 311 HA CYS 51 HA CYS 51 -5.993 4.511 -2.828 312 HB2 CYS 51 HB2 CYS 51 -7.286 6.026 -4.311 313 HB3 CYS 51 HB1 CYS 51 -8.103 6.673 -2.892 314 H ARG 52 HN ARG 52 -7.854 3.402 -0.685 315 HA ARG 52 HA ARG 52 -6.657 4.900 1.512 316 HB2 ARG 52 HB2 ARG 52 -9.209 5.501 0.866 317 HB3 ARG 52 HB1 ARG 52 -9.488 4.136 1.938 318 HG2 ARG 52 HG2 ARG 52 -7.730 6.423 2.748 319 HG3 ARG 52 HG1 ARG 52 -9.483 6.482 2.949 320 HD2 ARG 52 HD2 ARG 52 -9.473 4.638 4.425 321 HD3 ARG 52 HD1 ARG 52 -7.812 4.219 4.008 322 HE ARG 52 HE ARG 52 -7.592 6.709 5.053 323 HH11 ARG 52 HH11 ARG 52 -9.049 3.748 6.189 324 HH12 ARG 52 HH12 ARG 52 -8.771 4.106 7.860 325 HH21 ARG 52 HH21 ARG 52 -7.225 7.181 7.251 326 HH22 ARG 52 HH22 ARG 52 -7.736 6.055 8.464 327 H PHE 53 HN PHE 53 -5.894 3.562 3.056 328 HA PHE 53 HA PHE 53 -5.792 0.813 2.703 329 HB2 PHE 53 HB2 PHE 53 -5.369 2.511 5.155 330 HB3 PHE 53 HB1 PHE 53 -5.163 0.762 5.190 331 HD1 PHE 53 HD2 PHE 53 -4.009 0.512 2.381 332 HD2 PHE 53 HD1 PHE 53 -3.137 3.113 5.631 333 HE1 PHE 53 HE2 PHE 53 -1.719 0.762 1.553 334 HE2 PHE 53 HE1 PHE 53 -0.832 3.372 4.806 335 HZ PHE 53 HZ PHE 53 -0.117 2.194 2.762 336 H LYS 54 HN LYS 54 -6.796 -0.934 3.654 337 HA LYS 54 HA LYS 54 -9.588 -0.627 4.117 338 HB2 LYS 54 HB2 LYS 54 -7.652 -2.879 4.083 339 HB3 LYS 54 HB1 LYS 54 -9.141 -3.130 4.982 340 HG2 LYS 54 HG2 LYS 54 -10.399 -3.248 3.126 341 HG3 LYS 54 HG1 LYS 54 -9.484 -1.986 2.299 342 HD2 LYS 54 HD2 LYS 54 -7.697 -3.575 1.823 343 HD3 LYS 54 HD1 LYS 54 -8.575 -4.838 2.689 344 HE2 LYS 54 HE2 LYS 54 -10.469 -4.042 0.942 345 HE3 LYS 54 HE1 LYS 54 -9.016 -3.719 -0.003 346 HZ1 LYS 54 HZ1 LYS 54 -9.754 -5.933 -0.445 347 HZ2 LYS 54 HZ2 LYS 54 -9.811 -6.312 1.202 348 HZ3 LYS 54 HZ3 LYS 54 -8.322 -6.031 0.451 349 H LYS 55 HN LYS 55 -10.529 0.016 5.939 350 HA LYS 55 HA LYS 55 -9.358 0.749 8.268 351 HB2 LYS 55 HB2 LYS 55 -11.726 1.158 7.714 352 HB3 LYS 55 HB1 LYS 55 -12.087 -0.533 8.034 353 HG2 LYS 55 HG2 LYS 55 -11.376 -0.216 10.371 354 HG3 LYS 55 HG1 LYS 55 -11.104 1.494 10.032 355 HD2 LYS 55 HD2 LYS 55 -13.226 1.720 10.754 356 HD3 LYS 55 HD1 LYS 55 -13.635 1.196 9.119 357 HE2 LYS 55 HE2 LYS 55 -13.141 -0.915 11.140 358 HE3 LYS 55 HE1 LYS 55 -14.625 0.023 11.302 359 HZ1 LYS 55 HZ1 LYS 55 -13.768 -1.610 8.981 360 HZ2 LYS 55 HZ2 LYS 55 -15.064 -0.525 8.918 361 HZ3 LYS 55 HZ3 LYS 55 -15.120 -1.848 9.971 362 H ALA 56 HN ALA 56 -8.283 -0.222 9.850 363 HA ALA 56 HA ALA 56 -7.432 -2.757 9.989 364 HB1 ALA 56 HB1 ALA 56 -7.572 -2.462 12.584 365 HB2 ALA 56 HB2 ALA 56 -8.057 -0.818 12.162 366 HB3 ALA 56 HB3 ALA 56 -6.499 -1.444 11.622 367 H GLY 57 HN GLY 57 -8.245 -4.720 10.259 368 HA2 GLY 57 HA2 GLY 57 -9.746 -6.169 11.589 369 HA3 GLY 57 HA1 GLY 57 -10.978 -4.929 11.385 370 H THR 58 HN THR 58 -9.623 -4.734 8.535 371 HA THR 58 HA THR 58 -11.582 -6.410 7.251 372 HB THR 58 HB THR 58 -9.351 -4.728 6.081 373 HG1 THR 58 HG1 THR 58 -10.884 -3.475 7.175 374 HG21 THR 58 HG21 THR 58 -9.985 -5.278 4.034 375 HG22 THR 58 HG22 THR 58 -11.698 -5.137 4.437 376 HG23 THR 58 HG23 THR 58 -10.833 -6.638 4.776 377 H VAL 59 HN VAL 59 -11.179 -8.562 7.267 378 HA VAL 59 HA VAL 59 -8.620 -9.717 7.375 379 HB VAL 59 HB VAL 59 -10.607 -10.961 8.072 380 HG11 VAL 59 HG11 VAL 59 -11.880 -9.993 5.956 381 HG12 VAL 59 HG12 VAL 59 -12.377 -11.489 6.745 382 HG13 VAL 59 HG13 VAL 59 -11.401 -11.548 5.277 383 HG21 VAL 59 HG21 VAL 59 -10.004 -13.091 7.221 384 HG22 VAL 59 HG22 VAL 59 -8.527 -12.128 7.268 385 HG23 VAL 59 HG23 VAL 59 -9.361 -12.390 5.736 386 H CYS 60 HN CYS 60 -7.106 -9.757 5.848 387 HA CYS 60 HA CYS 60 -7.952 -9.630 3.032 388 HB2 CYS 60 HB2 CYS 60 -5.132 -9.206 3.977 389 HB3 CYS 60 HB1 CYS 60 -5.882 -8.664 2.481 390 H ARG 61 HN ARG 61 -6.359 -11.601 5.376 391 HA ARG 61 HA ARG 61 -6.163 -13.766 3.457 392 HB2 ARG 61 HB2 ARG 61 -3.694 -13.142 5.047 393 HB3 ARG 61 HB1 ARG 61 -3.862 -14.163 3.625 394 HG2 ARG 61 HG2 ARG 61 -4.306 -12.128 2.282 395 HG3 ARG 61 HG1 ARG 61 -3.973 -11.158 3.717 396 HD2 ARG 61 HD2 ARG 61 -2.022 -13.131 2.544 397 HD3 ARG 61 HD1 ARG 61 -2.050 -11.420 2.122 398 HE ARG 61 HE ARG 61 -1.820 -12.047 4.949 399 HH11 ARG 61 HH11 ARG 61 -0.171 -11.209 1.985 400 HH12 ARG 61 HH12 ARG 61 1.246 -10.631 2.794 401 HH21 ARG 61 HH21 ARG 61 0.045 -11.290 6.008 402 HH22 ARG 61 HH22 ARG 61 1.370 -10.678 5.075 403 H ILE 62 HN ILE 62 -4.952 -15.677 4.727 404 HA ILE 62 HA ILE 62 -5.296 -15.876 7.506 405 HB ILE 62 HB ILE 62 -7.652 -15.852 7.153 406 HG12 ILE 62 HG12 ILE 62 -8.321 -18.102 7.933 407 HG13 ILE 62 HG11 ILE 62 -6.729 -18.714 7.495 408 HG21 ILE 62 HG21 ILE 62 -8.292 -16.299 5.057 409 HG22 ILE 62 HG22 ILE 62 -8.427 -17.961 5.632 410 HG23 ILE 62 HG23 ILE 62 -6.968 -17.435 4.791 411 HD11 ILE 62 HD11 ILE 62 -5.822 -16.944 9.105 412 HD12 ILE 62 HD12 ILE 62 -6.605 -18.369 9.788 413 HD13 ILE 62 HD13 ILE 62 -7.478 -16.839 9.702 414 H ALA 63 HN ALA 63 -4.140 -17.540 8.211 415 HA ALA 63 HA ALA 63 -2.487 -18.988 6.538 416 HB1 ALA 63 HB1 ALA 63 -2.997 -18.864 9.356 417 HB2 ALA 63 HB2 ALA 63 -1.510 -19.266 8.499 418 HB3 ALA 63 HB3 ALA 63 -2.689 -20.527 8.855 419 H ARG 64 HN ARG 64 -4.526 -20.953 8.643 420 HA ARG 64 HA ARG 64 -5.879 -22.179 6.400 421 HB2 ARG 64 HB2 ARG 64 -3.832 -23.706 8.012 422 HB3 ARG 64 HB1 ARG 64 -5.025 -24.468 6.970 423 HG2 ARG 64 HG2 ARG 64 -3.257 -24.404 5.548 424 HG3 ARG 64 HG1 ARG 64 -3.986 -22.841 5.173 425 HD2 ARG 64 HD2 ARG 64 -2.375 -22.185 7.255 426 HD3 ARG 64 HD1 ARG 64 -1.442 -23.478 6.501 427 HE ARG 64 HE ARG 64 -2.169 -21.845 4.432 428 HH11 ARG 64 HH11 ARG 64 -0.446 -21.410 7.435 429 HH12 ARG 64 HH12 ARG 64 0.541 -20.124 6.828 430 HH21 ARG 64 HH21 ARG 64 -0.871 -20.153 3.631 431 HH22 ARG 64 HH22 ARG 64 0.300 -19.409 4.668 432 H GLY 65 HN GLY 65 -7.405 -21.041 8.008 433 HA2 GLY 65 HA2 GLY 65 -9.257 -22.600 9.043 434 HA3 GLY 65 HA1 GLY 65 -8.042 -22.737 10.305 435 H ASP 66 HN ASP 66 -8.171 -21.362 11.920 436 HA ASP 66 HA ASP 66 -8.816 -18.618 11.621 437 HB2 ASP 66 HB2 ASP 66 -10.992 -20.503 12.351 438 HB3 ASP 66 HB1 ASP 66 -10.899 -19.001 13.265 439 H TRP 67 HN TRP 67 -6.870 -18.515 12.773 440 HA TRP 67 HA TRP 67 -7.104 -19.143 15.645 441 HB2 TRP 67 HB2 TRP 67 -4.370 -18.830 14.983 442 HB3 TRP 67 HB1 TRP 67 -5.195 -20.309 15.457 443 HD1 TRP 67 HD1 TRP 67 -4.411 -18.327 12.210 444 HE1 TRP 67 HE1 TRP 67 -4.193 -20.022 10.296 445 HE3 TRP 67 HE3 TRP 67 -5.602 -22.582 14.761 446 HZ2 TRP 67 HZ2 TRP 67 -4.480 -22.801 9.912 447 HZ3 TRP 67 HZ3 TRP 67 -5.607 -24.727 13.549 448 HH2 TRP 67 HH2 TRP 67 -5.057 -24.832 11.171 449 H ASN 68 HN ASN 68 -5.000 -17.197 13.586 450 HA ASN 68 HA ASN 68 -5.413 -14.910 15.390 451 HB2 ASN 68 HB2 ASN 68 -3.182 -15.107 13.381 452 HB3 ASN 68 HB1 ASN 68 -3.262 -14.133 14.845 453 HD21 ASN 68 HD21 ASN 68 -3.067 -17.454 13.672 454 HD22 ASN 68 HD22 ASN 68 -2.207 -18.075 15.036 455 H ASP 69 HN ASP 69 -5.516 -16.024 12.085 456 HA ASP 69 HA ASP 69 -6.451 -15.180 10.196 457 HB2 ASP 69 HB2 ASP 69 -7.904 -13.673 12.336 458 HB3 ASP 69 HB1 ASP 69 -8.149 -13.235 10.648 459 H ASP 70 HN ASP 70 -6.068 -13.630 8.637 460 HA ASP 70 HA ASP 70 -4.064 -11.655 9.362 461 HB2 ASP 70 HB2 ASP 70 -3.845 -13.216 7.350 462 HB3 ASP 70 HB1 ASP 70 -5.096 -12.238 6.591 463 H TYR 71 HN TYR 71 -4.558 -9.595 9.733 464 HA TYR 71 HA TYR 71 -6.967 -8.511 8.450 465 HB2 TYR 71 HB2 TYR 71 -6.245 -8.510 11.350 466 HB3 TYR 71 HB1 TYR 71 -7.263 -7.237 10.680 467 HD1 TYR 71 HD1 TYR 71 -9.319 -7.945 9.396 468 HD2 TYR 71 HD2 TYR 71 -7.178 -10.561 11.950 469 HE1 TYR 71 HE1 TYR 71 -11.293 -9.381 9.536 470 HE2 TYR 71 HE2 TYR 71 -9.130 -12.032 12.100 471 HH TYR 71 HH TYR 71 -11.866 -11.504 11.771 472 H CYS 72 HN CYS 72 -7.045 -6.364 8.031 473 HA CYS 72 HA CYS 72 -4.559 -5.077 7.518 474 HB2 CYS 72 HB2 CYS 72 -6.773 -4.858 6.228 475 HB3 CYS 72 HB1 CYS 72 -7.253 -3.730 7.491 476 H THR 73 HN THR 73 -4.056 -2.859 8.292 477 HA THR 73 HA THR 73 -4.888 -2.497 11.096 478 HB THR 73 HB THR 73 -2.697 -1.918 11.729 479 HG1 THR 73 HG1 THR 73 -1.949 -1.886 8.996 480 HG21 THR 73 HG21 THR 73 -1.618 -3.870 11.530 481 HG22 THR 73 HG22 THR 73 -1.736 -3.879 9.770 482 HG23 THR 73 HG23 THR 73 -3.109 -4.396 10.749 483 H GLY 74 HN GLY 74 -5.225 -1.207 8.130 484 HA2 GLY 74 HA2 GLY 74 -5.814 0.860 7.339 485 HA3 GLY 74 HA1 GLY 74 -6.229 1.245 9.002 486 H LYS 75 HN LYS 75 -2.967 0.325 8.386 487 HA LYS 75 HA LYS 75 -2.136 3.138 8.259 488 HB2 LYS 75 HB2 LYS 75 -0.838 1.110 10.079 489 HB3 LYS 75 HB1 LYS 75 -0.475 2.826 9.969 490 HG2 LYS 75 HG2 LYS 75 -2.034 3.322 11.463 491 HG3 LYS 75 HG1 LYS 75 -3.260 2.424 10.568 492 HD2 LYS 75 HD2 LYS 75 -3.260 1.167 12.456 493 HD3 LYS 75 HD1 LYS 75 -1.923 0.368 11.626 494 HE2 LYS 75 HE2 LYS 75 -1.612 2.627 13.599 495 HE3 LYS 75 HE1 LYS 75 -1.442 0.918 14.001 496 HZ1 LYS 75 HZ1 LYS 75 0.716 1.746 13.622 497 HZ2 LYS 75 HZ2 LYS 75 0.264 2.533 12.195 498 HZ3 LYS 75 HZ3 LYS 75 0.328 0.844 12.244 499 H SER 76 HN SER 76 -2.137 0.485 6.554 500 HA SER 76 HA SER 76 0.153 1.128 5.042 501 HB2 SER 76 HB2 SER 76 1.403 -1.042 5.459 502 HB3 SER 76 HB1 SER 76 1.487 0.150 6.755 503 HG SER 76 HG SER 76 0.275 -1.092 8.005 504 H SER 77 HN SER 77 0.558 -0.460 3.286 505 HA SER 77 HA SER 77 -1.976 -1.536 2.347 506 HB2 SER 77 HB2 SER 77 0.308 -1.961 0.587 507 HB3 SER 77 HB1 SER 77 -1.191 -1.082 0.289 508 HG SER 77 HG SER 77 1.260 -0.123 0.864 509 H ASP 78 HN ASP 78 0.046 -2.768 4.423 510 HA ASP 78 HA ASP 78 0.157 -5.435 3.182 511 HB2 ASP 78 HB2 ASP 78 1.990 -3.989 5.026 512 HB3 ASP 78 HB1 ASP 78 1.824 -5.728 5.254 513 H CYS 79 HN CYS 79 -1.165 -6.917 3.960 514 HA CYS 79 HA CYS 79 -2.515 -6.427 6.513 515 HB2 CYS 79 HB2 CYS 79 -3.442 -7.284 4.028 516 HB3 CYS 79 HB1 CYS 79 -3.455 -8.737 5.022 517 HA PRO 80 HA PRO 80 0.433 -9.560 8.009 518 HB2 PRO 80 HB2 PRO 80 0.015 -9.066 10.643 519 HB3 PRO 80 HB1 PRO 80 1.067 -8.064 9.636 520 HG2 PRO 80 HG2 PRO 80 -1.773 -7.591 10.463 521 HG3 PRO 80 HG1 PRO 80 -0.413 -6.453 10.433 522 HD2 PRO 80 HD2 PRO 80 -2.279 -6.520 8.482 523 HD3 PRO 80 HD1 PRO 80 -0.582 -6.114 8.156 524 H TRP 81 HN TRP 81 0.126 -11.633 8.647 525 HA TRP 81 HA TRP 81 -2.511 -12.698 8.729 526 HB2 TRP 81 HB2 TRP 81 -0.460 -14.461 9.834 527 HB3 TRP 81 HB1 TRP 81 -1.539 -14.711 8.470 528 HD1 TRP 81 HD1 TRP 81 1.950 -13.348 9.317 529 HE1 TRP 81 HE1 TRP 81 3.328 -13.278 7.141 530 HE3 TRP 81 HE3 TRP 81 -1.735 -14.524 6.015 531 HZ2 TRP 81 HZ2 TRP 81 2.893 -13.681 4.381 532 HZ3 TRP 81 HZ3 TRP 81 -1.186 -14.675 3.615 533 HH2 TRP 81 HH2 TRP 81 1.086 -14.257 2.816 534 H ASN 82 HN ASN 82 -0.438 -11.441 11.103 535 HA ASN 82 HA ASN 82 -0.802 -11.029 13.333 536 HB2 ASN 82 HB2 ASN 82 -3.302 -11.217 12.655 537 HB3 ASN 82 HB1 ASN 82 -3.203 -12.846 13.315 538 HD21 ASN 82 HD21 ASN 82 -3.611 -9.564 13.997 539 HD22 ASN 82 HD22 ASN 82 -3.594 -9.667 15.722 540 H HIS 83 HN HIS 83 0.633 -13.276 12.088 541 HA HIS 83 HA HIS 83 0.446 -15.349 14.149 542 HB2 HIS 83 HB2 HIS 83 1.962 -15.336 11.526 543 HB3 HIS 83 HB1 HIS 83 1.819 -16.705 12.627 544 HD1 HIS 83 HD1 HIS 83 0.801 -16.686 9.635 545 HD2 HIS 83 HD2 HIS 83 -1.542 -16.088 13.010 546 HE1 HIS 83 HE1 HIS 83 -1.547 -17.252 8.935 547 HE2 HIS 83 HE2 HIS 83 -2.929 -16.987 11.022 Start of MODEL 9 1 H1 SER 1 HT1 SER 1 10.065 -3.414 -12.586 2 H2 SER 1 HT2 SER 1 10.134 -3.069 -10.907 3 H3 SER 1 HT3 SER 1 11.135 -4.292 -11.575 4 HA SER 1 HA SER 1 12.390 -2.745 -12.764 5 HB2 SER 1 HB2 SER 1 10.051 -1.048 -12.139 6 HB3 SER 1 HB1 SER 1 11.612 -0.229 -12.075 7 HG SER 1 HG SER 1 11.931 -0.635 -14.184 8 HA PRO 2 HA PRO 2 14.798 -1.994 -9.149 9 HB2 PRO 2 HB2 PRO 2 16.312 0.156 -9.794 10 HB3 PRO 2 HB1 PRO 2 16.550 -1.432 -10.533 11 HG2 PRO 2 HG2 PRO 2 15.097 0.957 -11.604 12 HG3 PRO 2 HG1 PRO 2 16.214 -0.140 -12.438 13 HD2 PRO 2 HD2 PRO 2 13.517 -0.332 -12.671 14 HD3 PRO 2 HD1 PRO 2 14.592 -1.741 -12.768 15 HA PRO 3 HA PRO 3 13.102 1.138 -6.532 16 HB2 PRO 3 HB2 PRO 3 15.614 1.658 -5.177 17 HB3 PRO 3 HB1 PRO 3 14.220 0.740 -4.606 18 HG2 PRO 3 HG2 PRO 3 16.614 -0.405 -5.213 19 HG3 PRO 3 HG1 PRO 3 15.064 -1.255 -5.350 20 HD2 PRO 3 HD2 PRO 3 16.712 0.042 -7.490 21 HD3 PRO 3 HD1 PRO 3 15.840 -1.507 -7.523 22 H VAL 4 HN VAL 4 12.755 2.786 -8.134 23 HA VAL 4 HA VAL 4 14.768 4.942 -8.031 24 HB VAL 4 HB VAL 4 12.878 4.878 -10.304 25 HG11 VAL 4 HG11 VAL 4 15.644 5.803 -9.720 26 HG12 VAL 4 HG12 VAL 4 14.301 6.665 -10.470 27 HG13 VAL 4 HG13 VAL 4 15.202 5.462 -11.393 28 HG21 VAL 4 HG21 VAL 4 14.206 3.304 -11.580 29 HG22 VAL 4 HG22 VAL 4 13.590 2.523 -10.124 30 HG23 VAL 4 HG23 VAL 4 15.273 3.047 -10.199 31 H CYS 5 HN CYS 5 14.131 6.714 -7.039 32 HA CYS 5 HA CYS 5 11.272 7.217 -6.642 33 HB2 CYS 5 HB2 CYS 5 12.410 7.435 -4.591 34 HB3 CYS 5 HB1 CYS 5 13.785 8.238 -5.331 35 H GLY 6 HN GLY 6 10.449 8.163 -8.397 36 HA2 GLY 6 HA2 GLY 6 10.077 10.339 -9.435 37 HA3 GLY 6 HA1 GLY 6 11.824 10.569 -9.406 38 H ASN 7 HN ASN 7 10.389 7.520 -10.181 39 HA ASN 7 HA ASN 7 11.003 7.881 -13.031 40 HB2 ASN 7 HB2 ASN 7 12.765 6.582 -11.710 41 HB3 ASN 7 HB1 ASN 7 11.542 5.336 -11.492 42 HD21 ASN 7 HD21 ASN 7 13.936 4.837 -12.763 43 HD22 ASN 7 HD22 ASN 7 13.642 4.519 -14.435 44 H LYS 8 HN LYS 8 8.639 7.515 -10.922 45 HA LYS 8 HA LYS 8 6.469 6.923 -11.129 46 HB2 LYS 8 HB2 LYS 8 7.015 7.283 -13.663 47 HB3 LYS 8 HB1 LYS 8 6.967 5.527 -13.733 48 HG2 LYS 8 HG2 LYS 8 4.664 5.924 -12.474 49 HG3 LYS 8 HG1 LYS 8 4.777 7.474 -13.310 50 HD2 LYS 8 HD2 LYS 8 5.424 5.789 -15.319 51 HD3 LYS 8 HD1 LYS 8 4.332 4.765 -14.385 52 HE2 LYS 8 HE2 LYS 8 2.777 5.799 -15.669 53 HE3 LYS 8 HE1 LYS 8 2.890 7.010 -14.392 54 HZ1 LYS 8 HZ1 LYS 8 3.905 7.103 -17.138 55 HZ2 LYS 8 HZ2 LYS 8 4.772 7.927 -15.943 56 HZ3 LYS 8 HZ3 LYS 8 3.150 8.312 -16.226 57 H ILE 9 HN ILE 9 8.860 5.086 -10.373 58 HA ILE 9 HA ILE 9 7.302 2.585 -10.323 59 HB ILE 9 HB ILE 9 10.041 2.096 -9.659 60 HG12 ILE 9 HG12 ILE 9 9.650 3.470 -12.324 61 HG13 ILE 9 HG11 ILE 9 10.554 4.105 -10.955 62 HG21 ILE 9 HG21 ILE 9 9.606 0.899 -12.077 63 HG22 ILE 9 HG22 ILE 9 7.972 1.088 -11.440 64 HG23 ILE 9 HG23 ILE 9 9.191 0.225 -10.501 65 HD11 ILE 9 HD11 ILE 9 11.242 1.828 -12.762 66 HD12 ILE 9 HD12 ILE 9 11.976 1.986 -11.166 67 HD13 ILE 9 HD13 ILE 9 12.189 3.261 -12.365 68 H LEU 10 HN LEU 10 6.369 2.444 -8.378 69 HA LEU 10 HA LEU 10 7.448 3.652 -6.028 70 HB2 LEU 10 HB2 LEU 10 5.695 2.031 -4.933 71 HB3 LEU 10 HB1 LEU 10 5.171 3.444 -5.829 72 HG LEU 10 HG LEU 10 5.436 0.968 -7.415 73 HD11 LEU 10 HD11 LEU 10 3.383 -0.003 -6.630 74 HD12 LEU 10 HD12 LEU 10 3.182 1.285 -5.442 75 HD13 LEU 10 HD13 LEU 10 4.509 0.134 -5.280 76 HD21 LEU 10 HD21 LEU 10 3.899 1.971 -8.723 77 HD22 LEU 10 HD22 LEU 10 4.418 3.421 -7.863 78 HD23 LEU 10 HD23 LEU 10 2.962 2.566 -7.352 79 H GLU 11 HN GLU 11 9.586 2.509 -6.676 80 HA GLU 11 HA GLU 11 9.742 -0.038 -5.224 81 HB2 GLU 11 HB2 GLU 11 10.139 -0.217 -7.678 82 HB3 GLU 11 HB1 GLU 11 11.519 0.854 -7.494 83 HG2 GLU 11 HG2 GLU 11 12.134 -1.526 -7.609 84 HG3 GLU 11 HG1 GLU 11 12.651 -0.748 -6.115 85 H GLN 12 HN GLN 12 11.365 3.050 -5.929 86 HA GLN 12 HA GLN 12 13.596 2.573 -4.231 87 HB2 GLN 12 HB2 GLN 12 13.622 4.318 -5.946 88 HB3 GLN 12 HB1 GLN 12 12.366 5.195 -5.094 89 HG2 GLN 12 HG2 GLN 12 13.793 6.017 -3.551 90 HG3 GLN 12 HG1 GLN 12 14.792 4.567 -3.540 91 HE21 GLN 12 HE21 GLN 12 15.379 7.503 -3.764 92 HE22 GLN 12 HE22 GLN 12 16.400 7.635 -5.151 93 H GLY 13 HN GLY 13 11.811 1.610 -2.575 94 HA2 GLY 13 HA2 GLY 13 10.664 1.837 -0.575 95 HA3 GLY 13 HA1 GLY 13 12.097 2.762 -0.155 96 H GLU 14 HN GLU 14 9.737 3.717 -2.569 97 HA GLU 14 HA GLU 14 9.222 6.145 -1.031 98 HB2 GLU 14 HB2 GLU 14 8.562 5.453 -3.897 99 HB3 GLU 14 HB1 GLU 14 8.315 7.021 -3.149 100 HG2 GLU 14 HG2 GLU 14 10.891 5.663 -3.836 101 HG3 GLU 14 HG1 GLU 14 10.292 7.225 -4.375 102 H ASP 15 HN ASP 15 7.292 3.924 -3.041 103 HA ASP 15 HA ASP 15 5.308 2.852 -2.506 104 HB2 ASP 15 HB2 ASP 15 5.940 3.609 -0.022 105 HB3 ASP 15 HB1 ASP 15 4.595 4.713 -0.298 106 H CYS 16 HN CYS 16 5.914 5.633 -3.812 107 HA CYS 16 HA CYS 16 3.605 6.006 -5.195 108 HB2 CYS 16 HB2 CYS 16 3.390 7.139 -2.504 109 HB3 CYS 16 HB1 CYS 16 3.042 8.299 -3.781 110 H ASP 17 HN ASP 17 5.567 6.270 -6.481 111 HA ASP 17 HA ASP 17 6.453 9.078 -6.486 112 HB2 ASP 17 HB2 ASP 17 8.631 8.256 -7.383 113 HB3 ASP 17 HB1 ASP 17 8.295 7.713 -5.743 114 H CYS 18 HN CYS 18 6.570 10.117 -8.416 115 HA CYS 18 HA CYS 18 5.423 8.710 -10.728 116 HB2 CYS 18 HB2 CYS 18 5.409 11.599 -9.886 117 HB3 CYS 18 HB1 CYS 18 5.074 11.134 -11.546 118 H GLY 19 HN GLY 19 6.376 8.960 -12.781 119 HA2 GLY 19 HA2 GLY 19 9.161 8.940 -12.894 120 HA3 GLY 19 HA1 GLY 19 8.108 9.190 -14.279 121 H SER 20 HN SER 20 6.910 11.573 -13.640 122 HA SER 20 HA SER 20 9.086 13.476 -13.189 123 HB2 SER 20 HB2 SER 20 7.454 13.182 -15.676 124 HB3 SER 20 HB1 SER 20 7.919 14.804 -15.163 125 HG SER 20 HG SER 20 9.377 13.333 -16.586 126 HA PRO 21 HA PRO 21 6.013 15.191 -10.445 127 HB2 PRO 21 HB2 PRO 21 7.070 17.796 -10.566 128 HB3 PRO 21 HB1 PRO 21 7.458 16.558 -9.370 129 HG2 PRO 21 HG2 PRO 21 8.945 17.367 -11.812 130 HG3 PRO 21 HG1 PRO 21 9.561 16.774 -10.260 131 HD2 PRO 21 HD2 PRO 21 9.518 15.221 -12.449 132 HD3 PRO 21 HD1 PRO 21 9.219 14.555 -10.830 133 H ALA 22 HN ALA 22 6.815 16.490 -13.586 134 HA ALA 22 HA ALA 22 4.452 18.171 -13.685 135 HB1 ALA 22 HB1 ALA 22 5.263 18.988 -15.724 136 HB2 ALA 22 HB2 ALA 22 6.248 17.553 -16.010 137 HB3 ALA 22 HB3 ALA 22 6.713 18.708 -14.760 138 H ASN 23 HN ASN 23 5.519 15.040 -14.786 139 HA ASN 23 HA ASN 23 2.971 14.652 -16.206 140 HB2 ASN 23 HB2 ASN 23 5.300 14.253 -17.324 141 HB3 ASN 23 HB1 ASN 23 5.286 12.752 -16.403 142 HD21 ASN 23 HD21 ASN 23 5.054 13.480 -19.336 143 HD22 ASN 23 HD22 ASN 23 3.680 12.583 -19.879 144 H CYS 24 HN CYS 24 3.591 14.492 -13.261 145 HA CYS 24 HA CYS 24 3.559 11.825 -12.409 146 HB2 CYS 24 HB2 CYS 24 4.131 13.682 -10.927 147 HB3 CYS 24 HB1 CYS 24 2.483 14.292 -11.037 148 H GLN 25 HN GLN 25 2.073 10.770 -13.764 149 HA GLN 25 HA GLN 25 -0.715 11.500 -13.681 150 HB2 GLN 25 HB2 GLN 25 0.965 9.651 -15.207 151 HB3 GLN 25 HB1 GLN 25 -0.619 8.994 -14.818 152 HG2 GLN 25 HG2 GLN 25 -1.669 10.977 -15.803 153 HG3 GLN 25 HG1 GLN 25 -0.072 11.593 -16.228 154 HE21 GLN 25 HE21 GLN 25 1.155 10.471 -17.802 155 HE22 GLN 25 HE22 GLN 25 0.386 9.458 -18.971 156 H ASP 26 HN ASP 26 -0.067 11.170 -11.129 157 HA ASP 26 HA ASP 26 -1.596 8.813 -10.383 158 HB2 ASP 26 HB2 ASP 26 1.057 9.431 -9.068 159 HB3 ASP 26 HB1 ASP 26 -0.011 8.077 -8.710 160 H ARG 27 HN ARG 27 -3.257 10.085 -9.694 161 HA ARG 27 HA ARG 27 -2.996 12.447 -8.197 162 HB2 ARG 27 HB2 ARG 27 -5.374 12.261 -7.792 163 HB3 ARG 27 HB1 ARG 27 -5.021 11.813 -9.455 164 HG2 ARG 27 HG2 ARG 27 -5.065 9.587 -7.534 165 HG3 ARG 27 HG1 ARG 27 -6.610 10.394 -7.806 166 HD2 ARG 27 HD2 ARG 27 -5.816 10.158 -10.341 167 HD3 ARG 27 HD1 ARG 27 -4.948 8.784 -9.658 168 HE ARG 27 HE ARG 27 -7.785 9.024 -10.054 169 HH11 ARG 27 HH11 ARG 27 -5.277 7.429 -8.225 170 HH12 ARG 27 HH12 ARG 27 -6.258 6.056 -7.839 171 HH21 ARG 27 HH21 ARG 27 -9.077 7.218 -9.548 172 HH22 ARG 27 HH22 ARG 27 -8.415 5.935 -8.590 173 H CYS 28 HN CYS 28 -2.681 9.166 -7.265 174 HA CYS 28 HA CYS 28 -3.043 9.857 -4.436 175 HB2 CYS 28 HB2 CYS 28 -2.936 7.175 -5.823 176 HB3 CYS 28 HB1 CYS 28 -3.022 7.376 -4.075 177 H CYS 29 HN CYS 29 -0.624 9.547 -6.722 178 HA CYS 29 HA CYS 29 1.387 9.169 -4.610 179 HB2 CYS 29 HB2 CYS 29 1.488 8.003 -7.400 180 HB3 CYS 29 HB1 CYS 29 2.808 7.953 -6.238 181 H ASN 30 HN ASN 30 2.830 10.771 -4.514 182 HA ASN 30 HA ASN 30 3.030 12.589 -6.828 183 HB2 ASN 30 HB2 ASN 30 2.065 13.680 -4.883 184 HB3 ASN 30 HB1 ASN 30 3.415 13.157 -3.883 185 HD21 ASN 30 HD21 ASN 30 4.433 14.955 -3.339 186 HD22 ASN 30 HD22 ASN 30 4.985 16.171 -4.435 187 H ALA 31 HN ALA 31 4.957 13.015 -7.721 188 HA ALA 31 HA ALA 31 7.210 11.378 -7.020 189 HB1 ALA 31 HB1 ALA 31 6.497 13.229 -9.202 190 HB2 ALA 31 HB2 ALA 31 7.281 11.652 -9.261 191 HB3 ALA 31 HB3 ALA 31 8.218 13.084 -8.846 192 H ALA 32 HN ALA 32 6.393 14.807 -6.800 193 HA ALA 32 HA ALA 32 8.847 15.836 -6.008 194 HB1 ALA 32 HB1 ALA 32 6.724 17.124 -4.560 195 HB2 ALA 32 HB2 ALA 32 6.219 16.780 -6.214 196 HB3 ALA 32 HB3 ALA 32 7.679 17.723 -5.916 197 H THR 33 HN THR 33 6.708 13.761 -4.312 198 HA THR 33 HA THR 33 8.261 14.141 -1.838 199 HB THR 33 HB THR 33 5.808 14.780 -1.741 200 HG1 THR 33 HG1 THR 33 5.919 14.244 0.278 201 HG21 THR 33 HG21 THR 33 5.124 11.898 -1.543 202 HG22 THR 33 HG22 THR 33 5.211 12.627 -3.146 203 HG23 THR 33 HG23 THR 33 4.106 13.283 -1.939 204 H CYS 34 HN CYS 34 7.013 11.956 -4.221 205 HA CYS 34 HA CYS 34 7.346 9.758 -4.633 206 HB2 CYS 34 HB2 CYS 34 9.732 10.534 -3.055 207 HB3 CYS 34 HB1 CYS 34 9.382 8.811 -3.114 208 H LYS 35 HN LYS 35 5.394 10.469 -2.902 209 HA LYS 35 HA LYS 35 5.027 8.059 -1.375 210 HB2 LYS 35 HB2 LYS 35 5.039 10.701 0.097 211 HB3 LYS 35 HB1 LYS 35 4.670 9.125 0.783 212 HG2 LYS 35 HG2 LYS 35 6.996 8.421 0.234 213 HG3 LYS 35 HG1 LYS 35 7.327 10.087 -0.245 214 HD2 LYS 35 HD2 LYS 35 6.240 9.378 2.465 215 HD3 LYS 35 HD1 LYS 35 7.971 9.421 2.124 216 HE2 LYS 35 HE2 LYS 35 7.658 11.773 1.318 217 HE3 LYS 35 HE1 LYS 35 6.002 11.692 1.915 218 HZ1 LYS 35 HZ1 LYS 35 7.015 11.101 4.129 219 HZ2 LYS 35 HZ2 LYS 35 7.260 12.691 3.609 220 HZ3 LYS 35 HZ3 LYS 35 8.510 11.559 3.483 221 H LEU 36 HN LEU 36 2.845 8.096 -0.268 222 HA LEU 36 HA LEU 36 0.833 8.648 -2.089 223 HB2 LEU 36 HB2 LEU 36 0.696 8.302 0.902 224 HB3 LEU 36 HB1 LEU 36 -0.721 8.379 -0.128 225 HG LEU 36 HG LEU 36 1.325 6.366 -0.860 226 HD11 LEU 36 HD11 LEU 36 0.199 4.794 0.822 227 HD12 LEU 36 HD12 LEU 36 -0.279 6.265 1.670 228 HD13 LEU 36 HD13 LEU 36 1.429 5.905 1.423 229 HD21 LEU 36 HD21 LEU 36 -1.681 6.264 -0.648 230 HD22 LEU 36 HD22 LEU 36 -0.638 5.062 -1.408 231 HD23 LEU 36 HD23 LEU 36 -0.779 6.676 -2.106 232 H THR 37 HN THR 37 -0.285 10.399 -2.642 233 HA THR 37 HA THR 37 0.420 12.966 -1.727 234 HB THR 37 HB THR 37 -1.981 13.404 -2.903 235 HG1 THR 37 HG1 THR 37 -2.182 11.039 -3.079 236 HG21 THR 37 HG21 THR 37 -0.876 13.837 -4.921 237 HG22 THR 37 HG22 THR 37 0.382 12.648 -4.584 238 HG23 THR 37 HG23 THR 37 0.315 14.147 -3.658 239 HA PRO 38 HA PRO 38 -2.112 13.817 1.769 240 HB2 PRO 38 HB2 PRO 38 -3.405 16.148 1.098 241 HB3 PRO 38 HB1 PRO 38 -1.726 16.065 1.642 242 HG2 PRO 38 HG2 PRO 38 -2.811 16.260 -1.139 243 HG3 PRO 38 HG1 PRO 38 -1.416 17.087 -0.419 244 HD2 PRO 38 HD2 PRO 38 -1.118 14.956 -2.028 245 HD3 PRO 38 HD1 PRO 38 -0.045 15.232 -0.640 246 H GLY 39 HN GLY 39 -3.785 12.522 2.201 247 HA2 GLY 39 HA2 GLY 39 -6.245 12.504 2.306 248 HA3 GLY 39 HA1 GLY 39 -6.237 12.849 0.583 249 H SER 40 HN SER 40 -3.995 10.961 0.133 250 HA SER 40 HA SER 40 -5.607 8.513 0.139 251 HB2 SER 40 HB2 SER 40 -3.323 9.479 -1.566 252 HB3 SER 40 HB1 SER 40 -3.765 7.772 -1.526 253 HG SER 40 HG SER 40 -4.833 9.568 -3.031 254 H GLN 41 HN GLN 41 -4.957 6.672 1.128 255 HA GLN 41 HA GLN 41 -2.471 6.830 2.698 256 HB2 GLN 41 HB2 GLN 41 -5.125 5.535 3.225 257 HB3 GLN 41 HB1 GLN 41 -3.678 4.936 4.025 258 HG2 GLN 41 HG2 GLN 41 -4.112 7.847 4.150 259 HG3 GLN 41 HG1 GLN 41 -5.264 6.847 5.035 260 HE21 GLN 41 HE21 GLN 41 -1.800 7.373 4.565 261 HE22 GLN 41 HE22 GLN 41 -1.339 6.965 6.179 262 H CYS 42 HN CYS 42 -4.262 4.967 0.374 263 HA CYS 42 HA CYS 42 -2.098 2.961 0.350 264 HB2 CYS 42 HB2 CYS 42 -3.578 1.295 0.180 265 HB3 CYS 42 HB1 CYS 42 -4.738 2.459 0.799 266 H ASN 43 HN ASN 43 -1.971 1.852 -1.818 267 HA ASN 43 HA ASN 43 -2.711 3.160 -4.196 268 HB2 ASN 43 HB2 ASN 43 -0.626 4.102 -4.929 269 HB3 ASN 43 HB1 ASN 43 -1.001 4.792 -3.353 270 HD21 ASN 43 HD21 ASN 43 1.462 3.830 -5.118 271 HD22 ASN 43 HD22 ASN 43 2.527 3.210 -3.906 272 H TYR 44 HN TYR 44 -0.573 1.024 -2.469 273 HA TYR 44 HA TYR 44 -1.022 -1.075 -4.385 274 HB2 TYR 44 HB2 TYR 44 1.082 -1.320 -5.242 275 HB3 TYR 44 HB1 TYR 44 1.155 0.411 -4.938 276 HD1 TYR 44 HD2 TYR 44 2.060 -2.892 -3.521 277 HD2 TYR 44 HD1 TYR 44 2.754 1.303 -3.455 278 HE1 TYR 44 HE2 TYR 44 4.009 -3.246 -2.075 279 HE2 TYR 44 HE1 TYR 44 4.711 0.964 -2.008 280 HH TYR 44 HH TYR 44 5.603 -0.674 -0.469 281 H GLY 45 HN GLY 45 -0.982 -3.062 -3.390 282 HA2 GLY 45 HA2 GLY 45 0.167 -4.403 -1.595 283 HA3 GLY 45 HA1 GLY 45 -0.197 -3.046 -0.541 284 H GLU 46 HN GLU 46 -0.975 -5.636 0.049 285 HA GLU 46 HA GLU 46 -3.521 -6.425 -0.744 286 HB2 GLU 46 HB2 GLU 46 -1.788 -6.904 1.619 287 HB3 GLU 46 HB1 GLU 46 -3.485 -7.332 1.776 288 HG2 GLU 46 HG2 GLU 46 -2.038 -9.205 1.069 289 HG3 GLU 46 HG1 GLU 46 -3.345 -8.851 -0.060 290 H CYS 47 HN CYS 47 -2.569 -4.361 1.975 291 HA CYS 47 HA CYS 47 -5.188 -3.980 2.978 292 HB2 CYS 47 HB2 CYS 47 -2.506 -2.837 3.459 293 HB3 CYS 47 HB1 CYS 47 -3.867 -1.830 3.930 294 H CYS 48 HN CYS 48 -3.455 -2.487 0.374 295 HA CYS 48 HA CYS 48 -4.814 -0.023 0.342 296 HB2 CYS 48 HB2 CYS 48 -2.736 -0.250 -0.841 297 HB3 CYS 48 HB1 CYS 48 -3.383 -1.556 -1.829 298 H ASP 49 HN ASP 49 -6.767 0.516 -0.267 299 HA ASP 49 HA ASP 49 -8.178 -0.930 -2.334 300 HB2 ASP 49 HB2 ASP 49 -8.616 -1.798 0.210 301 HB3 ASP 49 HB1 ASP 49 -9.848 -0.547 0.073 302 H GLN 50 HN GLN 50 -8.716 0.701 -3.632 303 HA GLN 50 HA GLN 50 -9.616 2.645 -4.399 304 HB2 GLN 50 HB2 GLN 50 -11.432 1.813 -2.660 305 HB3 GLN 50 HB1 GLN 50 -10.902 3.233 -1.770 306 HG2 GLN 50 HG2 GLN 50 -11.763 4.687 -3.294 307 HG3 GLN 50 HG1 GLN 50 -11.573 3.565 -4.639 308 HE21 GLN 50 HE21 GLN 50 -13.606 4.628 -2.059 309 HE22 GLN 50 HE22 GLN 50 -15.003 3.711 -2.496 310 H CYS 51 HN CYS 51 -7.039 2.764 -3.440 311 HA CYS 51 HA CYS 51 -5.405 4.219 -2.829 312 HB2 CYS 51 HB2 CYS 51 -7.642 6.025 -3.607 313 HB3 CYS 51 HB1 CYS 51 -6.250 6.729 -2.790 314 H ARG 52 HN ARG 52 -7.410 3.123 -0.812 315 HA ARG 52 HA ARG 52 -6.444 4.730 1.426 316 HB2 ARG 52 HB2 ARG 52 -9.302 4.307 0.689 317 HB3 ARG 52 HB1 ARG 52 -8.880 4.273 2.395 318 HG2 ARG 52 HG2 ARG 52 -7.612 6.522 1.658 319 HG3 ARG 52 HG1 ARG 52 -8.945 6.527 0.502 320 HD2 ARG 52 HD2 ARG 52 -10.023 7.576 2.187 321 HD3 ARG 52 HD1 ARG 52 -10.294 5.923 2.740 322 HE ARG 52 HE ARG 52 -7.924 6.623 3.880 323 HH11 ARG 52 HH11 ARG 52 -11.123 8.018 3.862 324 HH12 ARG 52 HH12 ARG 52 -10.960 8.722 5.435 325 HH21 ARG 52 HH21 ARG 52 -7.709 7.548 5.950 326 HH22 ARG 52 HH22 ARG 52 -9.022 8.456 6.621 327 H PHE 53 HN PHE 53 -5.621 3.441 2.960 328 HA PHE 53 HA PHE 53 -5.433 0.694 2.722 329 HB2 PHE 53 HB2 PHE 53 -5.148 2.490 5.124 330 HB3 PHE 53 HB1 PHE 53 -4.886 0.751 5.230 331 HD1 PHE 53 HD1 PHE 53 -3.597 0.323 2.562 332 HD2 PHE 53 HD2 PHE 53 -2.994 3.302 5.540 333 HE1 PHE 53 HE1 PHE 53 -1.294 0.622 1.783 334 HE2 PHE 53 HE2 PHE 53 -0.678 3.610 4.763 335 HZ PHE 53 HZ PHE 53 0.177 2.269 2.881 336 H LYS 54 HN LYS 54 -6.449 -1.057 3.617 337 HA LYS 54 HA LYS 54 -9.250 -0.816 4.015 338 HB2 LYS 54 HB2 LYS 54 -7.258 -2.997 4.002 339 HB3 LYS 54 HB1 LYS 54 -8.688 -3.294 4.980 340 HG2 LYS 54 HG2 LYS 54 -10.016 -3.541 3.194 341 HG3 LYS 54 HG1 LYS 54 -9.243 -2.224 2.309 342 HD2 LYS 54 HD2 LYS 54 -7.304 -3.766 1.902 343 HD3 LYS 54 HD1 LYS 54 -8.279 -5.067 2.588 344 HE2 LYS 54 HE2 LYS 54 -9.992 -3.982 0.762 345 HE3 LYS 54 HE1 LYS 54 -8.434 -3.771 -0.036 346 HZ1 LYS 54 HZ1 LYS 54 -8.086 -6.225 0.588 347 HZ2 LYS 54 HZ2 LYS 54 -9.099 -5.860 -0.716 348 HZ3 LYS 54 HZ3 LYS 54 -9.766 -6.269 0.783 349 H LYS 55 HN LYS 55 -10.124 0.070 5.772 350 HA LYS 55 HA LYS 55 -9.052 0.777 8.127 351 HB2 LYS 55 HB2 LYS 55 -11.383 1.240 7.482 352 HB3 LYS 55 HB1 LYS 55 -11.807 -0.431 7.824 353 HG2 LYS 55 HG2 LYS 55 -11.097 -0.050 10.185 354 HG3 LYS 55 HG1 LYS 55 -10.902 1.658 9.789 355 HD2 LYS 55 HD2 LYS 55 -13.046 1.803 10.466 356 HD3 LYS 55 HD1 LYS 55 -13.397 1.205 8.843 357 HE2 LYS 55 HE2 LYS 55 -12.834 -0.826 10.919 358 HE3 LYS 55 HE1 LYS 55 -14.351 0.060 11.072 359 HZ1 LYS 55 HZ1 LYS 55 -13.700 -0.990 8.432 360 HZ2 LYS 55 HZ2 LYS 55 -15.195 -0.882 9.215 361 HZ3 LYS 55 HZ3 LYS 55 -14.119 -2.124 9.616 362 H ALA 56 HN ALA 56 -8.075 -0.175 9.786 363 HA ALA 56 HA ALA 56 -7.290 -2.720 10.020 364 HB1 ALA 56 HB1 ALA 56 -6.389 -1.423 11.670 365 HB2 ALA 56 HB2 ALA 56 -7.561 -2.352 12.607 366 HB3 ALA 56 HB3 ALA 56 -7.940 -0.703 12.105 367 H GLY 57 HN GLY 57 -8.130 -4.662 10.369 368 HA2 GLY 57 HA2 GLY 57 -9.730 -6.028 11.671 369 HA3 GLY 57 HA1 GLY 57 -10.930 -4.787 11.327 370 H THR 58 HN THR 58 -9.485 -4.679 8.559 371 HA THR 58 HA THR 58 -11.345 -6.422 7.242 372 HB THR 58 HB THR 58 -9.037 -4.806 6.128 373 HG1 THR 58 HG1 THR 58 -10.441 -3.330 6.816 374 HG21 THR 58 HG21 THR 58 -9.531 -5.489 4.085 375 HG22 THR 58 HG22 THR 58 -11.263 -5.282 4.353 376 HG23 THR 58 HG23 THR 58 -10.468 -6.780 4.841 377 H VAL 59 HN VAL 59 -11.011 -8.556 7.102 378 HA VAL 59 HA VAL 59 -8.455 -9.725 7.520 379 HB VAL 59 HB VAL 59 -10.523 -10.893 8.156 380 HG11 VAL 59 HG11 VAL 59 -11.523 -10.104 5.772 381 HG12 VAL 59 HG12 VAL 59 -12.209 -11.397 6.756 382 HG13 VAL 59 HG13 VAL 59 -11.124 -11.786 5.421 383 HG21 VAL 59 HG21 VAL 59 -8.872 -12.346 6.093 384 HG22 VAL 59 HG22 VAL 59 -9.934 -13.116 7.271 385 HG23 VAL 59 HG23 VAL 59 -8.521 -12.212 7.816 386 H CYS 60 HN CYS 60 -6.862 -9.904 6.092 387 HA CYS 60 HA CYS 60 -7.520 -9.801 3.225 388 HB2 CYS 60 HB2 CYS 60 -4.825 -9.428 4.534 389 HB3 CYS 60 HB1 CYS 60 -5.220 -9.141 2.844 390 H ARG 61 HN ARG 61 -6.205 -11.861 5.670 391 HA ARG 61 HA ARG 61 -5.959 -14.013 3.718 392 HB2 ARG 61 HB2 ARG 61 -3.690 -12.624 4.565 393 HB3 ARG 61 HB1 ARG 61 -3.685 -14.094 5.528 394 HG2 ARG 61 HG2 ARG 61 -3.956 -15.369 3.373 395 HG3 ARG 61 HG1 ARG 61 -3.644 -13.848 2.534 396 HD2 ARG 61 HD2 ARG 61 -1.809 -15.548 4.144 397 HD3 ARG 61 HD1 ARG 61 -1.516 -14.694 2.630 398 HE ARG 61 HE ARG 61 -1.037 -13.731 5.257 399 HH11 ARG 61 HH11 ARG 61 -1.912 -12.735 2.034 400 HH12 ARG 61 HH12 ARG 61 -1.407 -11.095 2.269 401 HH21 ARG 61 HH21 ARG 61 -0.411 -11.570 5.586 402 HH22 ARG 61 HH22 ARG 61 -0.544 -10.435 4.285 403 H ILE 62 HN ILE 62 -5.062 -16.044 5.056 404 HA ILE 62 HA ILE 62 -5.687 -16.335 7.755 405 HB ILE 62 HB ILE 62 -7.990 -15.969 7.225 406 HG12 ILE 62 HG12 ILE 62 -8.996 -18.127 7.905 407 HG13 ILE 62 HG11 ILE 62 -7.462 -18.927 7.578 408 HG21 ILE 62 HG21 ILE 62 -8.950 -17.917 5.619 409 HG22 ILE 62 HG22 ILE 62 -7.368 -17.638 4.891 410 HG23 ILE 62 HG23 ILE 62 -8.507 -16.303 5.065 411 HD11 ILE 62 HD11 ILE 62 -6.447 -17.362 9.288 412 HD12 ILE 62 HD12 ILE 62 -7.541 -18.604 9.898 413 HD13 ILE 62 HD13 ILE 62 -8.101 -16.940 9.730 414 H ALA 63 HN ALA 63 -4.826 -18.177 8.453 415 HA ALA 63 HA ALA 63 -3.340 -19.808 6.732 416 HB1 ALA 63 HB1 ALA 63 -2.393 -20.484 8.618 417 HB2 ALA 63 HB2 ALA 63 -3.915 -21.141 9.219 418 HB3 ALA 63 HB3 ALA 63 -3.524 -19.440 9.480 419 H ARG 64 HN ARG 64 -5.879 -21.085 8.858 420 HA ARG 64 HA ARG 64 -7.469 -22.181 6.813 421 HB2 ARG 64 HB2 ARG 64 -5.186 -23.545 6.827 422 HB3 ARG 64 HB1 ARG 64 -5.991 -24.403 8.134 423 HG2 ARG 64 HG2 ARG 64 -6.389 -25.580 6.098 424 HG3 ARG 64 HG1 ARG 64 -7.902 -24.824 6.604 425 HD2 ARG 64 HD2 ARG 64 -7.980 -24.109 4.474 426 HD3 ARG 64 HD1 ARG 64 -6.857 -22.875 5.043 427 HE ARG 64 HE ARG 64 -5.234 -24.917 4.310 428 HH11 ARG 64 HH11 ARG 64 -7.790 -23.179 2.690 429 HH12 ARG 64 HH12 ARG 64 -7.103 -23.388 1.114 430 HH21 ARG 64 HH21 ARG 64 -4.328 -25.192 2.238 431 HH22 ARG 64 HH22 ARG 64 -5.138 -24.531 0.857 432 H GLY 65 HN GLY 65 -8.701 -21.019 8.568 433 HA2 GLY 65 HA2 GLY 65 -10.514 -22.443 9.847 434 HA3 GLY 65 HA1 GLY 65 -9.163 -22.645 10.952 435 H ASP 66 HN ASP 66 -9.020 -21.244 12.549 436 HA ASP 66 HA ASP 66 -9.488 -18.463 12.266 437 HB2 ASP 66 HB2 ASP 66 -11.438 -18.294 13.798 438 HB3 ASP 66 HB1 ASP 66 -11.831 -19.095 12.279 439 H TRP 67 HN TRP 67 -7.395 -18.556 13.180 440 HA TRP 67 HA TRP 67 -7.357 -19.128 16.072 441 HB2 TRP 67 HB2 TRP 67 -4.701 -19.092 15.143 442 HB3 TRP 67 HB1 TRP 67 -5.627 -20.496 15.658 443 HD1 TRP 67 HD1 TRP 67 -4.976 -18.497 12.386 444 HE1 TRP 67 HE1 TRP 67 -5.099 -20.142 10.427 445 HE3 TRP 67 HE3 TRP 67 -6.262 -22.714 14.958 446 HZ2 TRP 67 HZ2 TRP 67 -5.645 -22.880 10.016 447 HZ3 TRP 67 HZ3 TRP 67 -6.563 -24.814 13.708 448 HH2 TRP 67 HH2 TRP 67 -6.261 -24.893 11.285 449 H ASN 68 HN ASN 68 -5.319 -17.389 13.772 450 HA ASN 68 HA ASN 68 -5.324 -15.071 15.586 451 HB2 ASN 68 HB2 ASN 68 -3.305 -15.506 13.403 452 HB3 ASN 68 HB1 ASN 68 -3.160 -14.528 14.860 453 HD21 ASN 68 HD21 ASN 68 -3.380 -17.842 13.686 454 HD22 ASN 68 HD22 ASN 68 -2.486 -18.554 14.982 455 H ASP 69 HN ASP 69 -5.679 -16.146 12.272 456 HA ASP 69 HA ASP 69 -6.617 -15.199 10.435 457 HB2 ASP 69 HB2 ASP 69 -7.837 -13.513 12.604 458 HB3 ASP 69 HB1 ASP 69 -8.184 -13.216 10.904 459 H ASP 70 HN ASP 70 -6.269 -13.575 8.918 460 HA ASP 70 HA ASP 70 -4.089 -11.753 9.606 461 HB2 ASP 70 HB2 ASP 70 -3.747 -13.211 7.662 462 HB3 ASP 70 HB1 ASP 70 -5.207 -12.582 6.924 463 H TYR 71 HN TYR 71 -4.455 -9.639 9.888 464 HA TYR 71 HA TYR 71 -6.845 -8.492 8.636 465 HB2 TYR 71 HB2 TYR 71 -6.139 -8.488 11.544 466 HB3 TYR 71 HB1 TYR 71 -7.148 -7.221 10.850 467 HD1 TYR 71 HD1 TYR 71 -9.172 -7.984 9.501 468 HD2 TYR 71 HD2 TYR 71 -7.114 -10.481 12.240 469 HE1 TYR 71 HE1 TYR 71 -11.155 -9.403 9.655 470 HE2 TYR 71 HE2 TYR 71 -9.078 -11.936 12.413 471 HH TYR 71 HH TYR 71 -11.735 -11.702 10.267 472 H CYS 72 HN CYS 72 -6.820 -6.398 8.129 473 HA CYS 72 HA CYS 72 -4.296 -5.149 7.713 474 HB2 CYS 72 HB2 CYS 72 -6.408 -4.933 6.288 475 HB3 CYS 72 HB1 CYS 72 -6.993 -3.815 7.515 476 H THR 73 HN THR 73 -3.795 -2.924 8.470 477 HA THR 73 HA THR 73 -4.763 -2.496 11.221 478 HB THR 73 HB THR 73 -2.588 -1.814 11.898 479 HG1 THR 73 HG1 THR 73 -1.751 -2.063 9.202 480 HG21 THR 73 HG21 THR 73 -1.559 -3.799 11.941 481 HG22 THR 73 HG22 THR 73 -1.590 -3.971 10.185 482 HG23 THR 73 HG23 THR 73 -3.021 -4.369 11.136 483 H GLY 74 HN GLY 74 -5.181 -1.292 8.298 484 HA2 GLY 74 HA2 GLY 74 -5.672 0.764 7.407 485 HA3 GLY 74 HA1 GLY 74 -6.182 1.165 9.039 486 H LYS 75 HN LYS 75 -2.872 0.316 8.425 487 HA LYS 75 HA LYS 75 -2.129 3.160 8.573 488 HB2 LYS 75 HB2 LYS 75 -0.879 0.862 10.080 489 HB3 LYS 75 HB1 LYS 75 -0.204 2.484 10.005 490 HG2 LYS 75 HG2 LYS 75 -2.834 2.866 10.806 491 HG3 LYS 75 HG1 LYS 75 -2.301 1.432 11.686 492 HD2 LYS 75 HD2 LYS 75 -0.175 2.877 12.163 493 HD3 LYS 75 HD1 LYS 75 -1.249 4.226 11.787 494 HE2 LYS 75 HE2 LYS 75 -1.419 3.974 14.108 495 HE3 LYS 75 HE1 LYS 75 -2.860 3.182 13.471 496 HZ1 LYS 75 HZ1 LYS 75 -1.282 1.104 13.543 497 HZ2 LYS 75 HZ2 LYS 75 -2.133 1.603 14.917 498 HZ3 LYS 75 HZ3 LYS 75 -0.500 2.006 14.742 499 H SER 76 HN SER 76 -1.589 0.062 7.145 500 HA SER 76 HA SER 76 0.277 1.270 5.274 501 HB2 SER 76 HB2 SER 76 0.990 -1.054 7.055 502 HB3 SER 76 HB1 SER 76 1.812 -0.764 5.522 503 HG SER 76 HG SER 76 2.735 0.199 7.527 504 H SER 77 HN SER 77 0.924 -0.452 3.573 505 HA SER 77 HA SER 77 -1.549 -1.612 2.590 506 HB2 SER 77 HB2 SER 77 0.835 -2.101 0.973 507 HB3 SER 77 HB1 SER 77 -0.670 -1.289 0.543 508 HG SER 77 HG SER 77 1.729 -0.234 1.375 509 H ASP 78 HN ASP 78 0.382 -2.721 4.818 510 HA ASP 78 HA ASP 78 0.629 -5.435 3.713 511 HB2 ASP 78 HB2 ASP 78 2.215 -5.837 5.591 512 HB3 ASP 78 HB1 ASP 78 2.746 -4.562 4.498 513 H CYS 79 HN CYS 79 -0.659 -6.984 4.443 514 HA CYS 79 HA CYS 79 -2.303 -6.434 6.819 515 HB2 CYS 79 HB2 CYS 79 -2.967 -7.350 4.231 516 HB3 CYS 79 HB1 CYS 79 -3.207 -8.713 5.318 517 HA PRO 80 HA PRO 80 0.621 -9.536 8.540 518 HB2 PRO 80 HB2 PRO 80 -0.455 -9.227 11.089 519 HB3 PRO 80 HB1 PRO 80 0.932 -8.340 10.452 520 HG2 PRO 80 HG2 PRO 80 -1.925 -7.505 10.652 521 HG3 PRO 80 HG1 PRO 80 -0.453 -6.546 10.894 522 HD2 PRO 80 HD2 PRO 80 -1.898 -6.344 8.649 523 HD3 PRO 80 HD1 PRO 80 -0.124 -6.247 8.616 524 H TRP 81 HN TRP 81 0.263 -11.693 8.956 525 HA TRP 81 HA TRP 81 -2.544 -12.492 9.152 526 HB2 TRP 81 HB2 TRP 81 -1.625 -14.722 8.167 527 HB3 TRP 81 HB1 TRP 81 -2.017 -13.373 7.122 528 HD1 TRP 81 HD1 TRP 81 0.709 -11.716 7.297 529 HE1 TRP 81 HE1 TRP 81 2.821 -12.695 6.210 530 HE3 TRP 81 HE3 TRP 81 -0.660 -16.620 7.183 531 HZ2 TRP 81 HZ2 TRP 81 3.767 -15.218 5.389 532 HZ3 TRP 81 HZ3 TRP 81 0.895 -18.262 6.215 533 HH2 TRP 81 HH2 TRP 81 3.063 -17.572 5.338 534 H ASN 82 HN ASN 82 -0.228 -12.077 11.159 535 HA ASN 82 HA ASN 82 0.690 -13.121 12.995 536 HB2 ASN 82 HB2 ASN 82 -2.278 -13.545 13.108 537 HB3 ASN 82 HB1 ASN 82 -1.242 -14.113 14.415 538 HD21 ASN 82 HD21 ASN 82 -3.242 -11.761 13.738 539 HD22 ASN 82 HD22 ASN 82 -2.492 -10.424 14.534 540 H HIS 83 HN HIS 83 1.001 -14.822 10.717 541 HA HIS 83 HA HIS 83 0.946 -17.423 12.087 542 HB2 HIS 83 HB2 HIS 83 0.334 -17.042 9.150 543 HB3 HIS 83 HB1 HIS 83 0.338 -18.565 10.034 544 HD1 HIS 83 HD1 HIS 83 -2.097 -16.938 8.515 545 HD2 HIS 83 HD2 HIS 83 -1.517 -17.559 12.580 546 HE1 HIS 83 HE1 HIS 83 -4.364 -16.665 9.568 547 HE2 HIS 83 HE2 HIS 83 -3.951 -16.890 12.041 Start of MODEL 10 1 H1 SER 1 HT1 SER 1 14.414 -1.886 -13.189 2 H2 SER 1 HT2 SER 1 13.474 -0.923 -12.126 3 H3 SER 1 HT3 SER 1 12.957 -2.506 -12.535 4 HA SER 1 HA SER 1 13.855 -3.050 -10.623 5 HB2 SER 1 HB2 SER 1 15.536 -3.492 -12.777 6 HB3 SER 1 HB1 SER 1 16.614 -2.789 -11.571 7 HG SER 1 HG SER 1 14.918 -5.038 -11.214 8 HA PRO 2 HA PRO 2 17.239 0.488 -9.615 9 HB2 PRO 2 HB2 PRO 2 15.902 2.453 -11.428 10 HB3 PRO 2 HB1 PRO 2 17.600 2.338 -10.952 11 HG2 PRO 2 HG2 PRO 2 16.810 1.491 -13.345 12 HG3 PRO 2 HG1 PRO 2 18.033 0.597 -12.423 13 HD2 PRO 2 HD2 PRO 2 15.172 -0.060 -12.912 14 HD3 PRO 2 HD1 PRO 2 16.561 -1.144 -12.696 15 HA PRO 3 HA PRO 3 13.567 1.472 -7.064 16 HB2 PRO 3 HB2 PRO 3 14.947 1.599 -4.727 17 HB3 PRO 3 HB1 PRO 3 14.380 0.080 -5.429 18 HG2 PRO 3 HG2 PRO 3 17.101 1.322 -5.527 19 HG3 PRO 3 HG1 PRO 3 16.653 -0.373 -5.264 20 HD2 PRO 3 HD2 PRO 3 17.518 0.549 -7.655 21 HD3 PRO 3 HD1 PRO 3 16.339 -0.770 -7.511 22 H VAL 4 HN VAL 4 14.287 3.515 -8.559 23 HA VAL 4 HA VAL 4 14.987 5.676 -6.683 24 HB VAL 4 HB VAL 4 15.443 5.728 -9.662 25 HG11 VAL 4 HG11 VAL 4 17.120 7.551 -8.635 26 HG12 VAL 4 HG12 VAL 4 15.826 7.634 -7.440 27 HG13 VAL 4 HG13 VAL 4 15.474 7.929 -9.143 28 HG21 VAL 4 HG21 VAL 4 17.431 4.734 -9.432 29 HG22 VAL 4 HG22 VAL 4 16.850 4.185 -7.860 30 HG23 VAL 4 HG23 VAL 4 17.816 5.655 -7.979 31 H CYS 5 HN CYS 5 13.901 7.672 -6.905 32 HA CYS 5 HA CYS 5 11.167 7.393 -7.800 33 HB2 CYS 5 HB2 CYS 5 12.572 9.053 -5.945 34 HB3 CYS 5 HB1 CYS 5 11.787 10.104 -7.118 35 H GLY 6 HN GLY 6 11.377 7.122 -9.973 36 HA2 GLY 6 HA2 GLY 6 10.931 8.911 -11.814 37 HA3 GLY 6 HA1 GLY 6 12.641 9.237 -11.549 38 H ASN 7 HN ASN 7 11.309 6.059 -11.227 39 HA ASN 7 HA ASN 7 12.427 5.220 -13.807 40 HB2 ASN 7 HB2 ASN 7 12.969 4.097 -11.055 41 HB3 ASN 7 HB1 ASN 7 13.097 3.076 -12.487 42 HD21 ASN 7 HD21 ASN 7 14.943 3.077 -13.571 43 HD22 ASN 7 HD22 ASN 7 16.230 4.210 -13.363 44 H LYS 8 HN LYS 8 9.734 5.701 -12.323 45 HA LYS 8 HA LYS 8 7.642 4.913 -12.530 46 HB2 LYS 8 HB2 LYS 8 9.071 3.280 -14.491 47 HB3 LYS 8 HB1 LYS 8 7.696 2.445 -13.782 48 HG2 LYS 8 HG2 LYS 8 7.136 5.203 -14.589 49 HG3 LYS 8 HG1 LYS 8 7.585 4.129 -15.917 50 HD2 LYS 8 HD2 LYS 8 5.511 3.363 -13.882 51 HD3 LYS 8 HD1 LYS 8 5.105 4.294 -15.325 52 HE2 LYS 8 HE2 LYS 8 6.659 1.757 -15.587 53 HE3 LYS 8 HE1 LYS 8 4.915 1.687 -15.337 54 HZ1 LYS 8 HZ1 LYS 8 5.728 1.704 -17.715 55 HZ2 LYS 8 HZ2 LYS 8 6.130 3.330 -17.478 56 HZ3 LYS 8 HZ3 LYS 8 4.522 2.827 -17.329 57 H ILE 9 HN ILE 9 9.887 3.988 -10.664 58 HA ILE 9 HA ILE 9 8.462 1.742 -9.417 59 HB ILE 9 HB ILE 9 11.356 2.572 -9.087 60 HG12 ILE 9 HG12 ILE 9 10.259 0.032 -10.295 61 HG13 ILE 9 HG11 ILE 9 10.724 1.434 -11.254 62 HG21 ILE 9 HG21 ILE 9 11.430 0.302 -7.876 63 HG22 ILE 9 HG22 ILE 9 9.682 0.490 -7.733 64 HG23 ILE 9 HG23 ILE 9 10.759 1.691 -7.020 65 HD11 ILE 9 HD11 ILE 9 12.344 -0.670 -10.506 66 HD12 ILE 9 HD12 ILE 9 12.815 0.640 -9.423 67 HD13 ILE 9 HD13 ILE 9 12.868 0.878 -11.170 68 H LEU 10 HN LEU 10 8.177 1.859 -7.147 69 HA LEU 10 HA LEU 10 7.703 4.534 -6.208 70 HB2 LEU 10 HB2 LEU 10 7.208 3.060 -4.024 71 HB3 LEU 10 HB1 LEU 10 6.049 3.279 -5.318 72 HG LEU 10 HG LEU 10 7.916 0.954 -5.459 73 HD11 LEU 10 HD11 LEU 10 5.398 0.386 -4.100 74 HD12 LEU 10 HD12 LEU 10 6.514 1.369 -3.152 75 HD13 LEU 10 HD13 LEU 10 7.027 -0.200 -3.770 76 HD21 LEU 10 HD21 LEU 10 5.073 1.489 -6.307 77 HD22 LEU 10 HD22 LEU 10 5.873 -0.075 -6.462 78 HD23 LEU 10 HD23 LEU 10 6.488 1.322 -7.348 79 H GLU 11 HN GLU 11 10.284 4.543 -6.683 80 HA GLU 11 HA GLU 11 12.432 4.555 -5.853 81 HB2 GLU 11 HB2 GLU 11 11.552 6.692 -5.157 82 HB3 GLU 11 HB1 GLU 11 10.818 5.972 -3.735 83 HG2 GLU 11 HG2 GLU 11 12.818 5.786 -2.624 84 HG3 GLU 11 HG1 GLU 11 13.761 5.757 -4.114 85 H GLN 12 HN GLN 12 12.050 2.122 -5.573 86 HA GLN 12 HA GLN 12 12.684 0.278 -4.395 87 HB2 GLN 12 HB2 GLN 12 14.073 2.263 -3.105 88 HB3 GLN 12 HB1 GLN 12 13.157 1.538 -1.793 89 HG2 GLN 12 HG2 GLN 12 14.393 -0.450 -3.504 90 HG3 GLN 12 HG1 GLN 12 15.565 0.658 -2.793 91 HE21 GLN 12 HE21 GLN 12 14.202 -2.224 -2.360 92 HE22 GLN 12 HE22 GLN 12 14.233 -2.341 -0.637 93 H GLY 13 HN GLY 13 11.419 2.187 -1.707 94 HA2 GLY 13 HA2 GLY 13 8.914 0.699 -1.722 95 HA3 GLY 13 HA1 GLY 13 9.956 0.448 -0.325 96 H GLU 14 HN GLU 14 9.499 3.381 -2.177 97 HA GLU 14 HA GLU 14 9.168 4.983 0.137 98 HB2 GLU 14 HB2 GLU 14 9.308 5.349 -2.780 99 HB3 GLU 14 HB1 GLU 14 8.431 6.598 -1.906 100 HG2 GLU 14 HG2 GLU 14 11.254 5.706 -1.379 101 HG3 GLU 14 HG1 GLU 14 10.766 7.194 -2.188 102 H ASP 15 HN ASP 15 6.934 3.612 -2.198 103 HA ASP 15 HA ASP 15 4.704 3.095 -1.842 104 HB2 ASP 15 HB2 ASP 15 4.551 5.279 0.240 105 HB3 ASP 15 HB1 ASP 15 3.397 3.983 -0.052 106 H CYS 16 HN CYS 16 5.959 4.906 -3.629 107 HA CYS 16 HA CYS 16 3.670 6.101 -4.763 108 HB2 CYS 16 HB2 CYS 16 4.180 7.772 -2.983 109 HB3 CYS 16 HB1 CYS 16 5.729 8.052 -3.769 110 H ASP 17 HN ASP 17 4.296 4.996 -6.574 111 HA ASP 17 HA ASP 17 6.928 5.601 -7.690 112 HB2 ASP 17 HB2 ASP 17 6.683 3.629 -9.013 113 HB3 ASP 17 HB1 ASP 17 6.153 3.230 -7.380 114 H CYS 18 HN CYS 18 7.162 6.994 -9.256 115 HA CYS 18 HA CYS 18 5.224 7.272 -11.371 116 HB2 CYS 18 HB2 CYS 18 5.678 9.445 -9.339 117 HB3 CYS 18 HB1 CYS 18 5.187 9.832 -10.982 118 H GLY 19 HN GLY 19 6.317 7.592 -13.212 119 HA2 GLY 19 HA2 GLY 19 9.089 7.725 -13.357 120 HA3 GLY 19 HA1 GLY 19 8.000 8.136 -14.674 121 H SER 20 HN SER 20 6.785 10.374 -13.968 122 HA SER 20 HA SER 20 8.837 12.260 -13.060 123 HB2 SER 20 HB2 SER 20 7.380 12.359 -15.700 124 HB3 SER 20 HB1 SER 20 8.109 13.793 -14.977 125 HG SER 20 HG SER 20 9.470 12.607 -16.482 126 HA PRO 21 HA PRO 21 5.676 14.043 -10.534 127 HB2 PRO 21 HB2 PRO 21 6.756 16.618 -11.608 128 HB3 PRO 21 HB1 PRO 21 6.409 16.155 -9.938 129 HG2 PRO 21 HG2 PRO 21 8.911 16.178 -10.853 130 HG3 PRO 21 HG1 PRO 21 8.358 14.919 -9.734 131 HD2 PRO 21 HD2 PRO 21 8.917 14.749 -12.647 132 HD3 PRO 21 HD1 PRO 21 9.053 13.501 -11.392 133 H ALA 22 HN ALA 22 6.141 15.133 -13.850 134 HA ALA 22 HA ALA 22 3.477 16.263 -14.016 135 HB1 ALA 22 HB1 ALA 22 4.089 17.120 -16.072 136 HB2 ALA 22 HB2 ALA 22 5.231 15.814 -16.394 137 HB3 ALA 22 HB3 ALA 22 5.636 17.072 -15.226 138 H ASN 23 HN ASN 23 5.126 13.308 -14.805 139 HA ASN 23 HA ASN 23 2.723 12.298 -16.165 140 HB2 ASN 23 HB2 ASN 23 5.205 12.210 -17.135 141 HB3 ASN 23 HB1 ASN 23 5.266 10.744 -16.161 142 HD21 ASN 23 HD21 ASN 23 3.841 12.309 -18.905 143 HD22 ASN 23 HD22 ASN 23 3.114 10.899 -19.590 144 H CYS 24 HN CYS 24 3.288 12.577 -13.218 145 HA CYS 24 HA CYS 24 3.647 9.978 -12.148 146 HB2 CYS 24 HB2 CYS 24 4.139 11.959 -10.818 147 HB3 CYS 24 HB1 CYS 24 2.456 12.467 -10.911 148 H GLN 25 HN GLN 25 2.208 8.638 -13.204 149 HA GLN 25 HA GLN 25 -0.588 9.125 -13.347 150 HB2 GLN 25 HB2 GLN 25 -0.741 6.749 -14.023 151 HB3 GLN 25 HB1 GLN 25 0.472 7.639 -14.933 152 HG2 GLN 25 HG2 GLN 25 2.240 6.660 -13.634 153 HG3 GLN 25 HG1 GLN 25 1.073 5.875 -12.571 154 HE21 GLN 25 HE21 GLN 25 -0.633 4.598 -13.975 155 HE22 GLN 25 HE22 GLN 25 0.074 3.512 -15.118 156 H ASP 26 HN ASP 26 -0.197 9.705 -10.810 157 HA ASP 26 HA ASP 26 -1.568 7.553 -9.396 158 HB2 ASP 26 HB2 ASP 26 0.985 8.873 -8.472 159 HB3 ASP 26 HB1 ASP 26 -0.105 8.042 -7.367 160 H ARG 27 HN ARG 27 -3.451 8.705 -9.323 161 HA ARG 27 HA ARG 27 -3.654 11.454 -8.749 162 HB2 ARG 27 HB2 ARG 27 -5.390 9.947 -9.839 163 HB3 ARG 27 HB1 ARG 27 -5.802 9.409 -8.216 164 HG2 ARG 27 HG2 ARG 27 -7.356 11.083 -8.737 165 HG3 ARG 27 HG1 ARG 27 -6.189 11.850 -7.658 166 HD2 ARG 27 HD2 ARG 27 -5.418 13.237 -9.263 167 HD3 ARG 27 HD1 ARG 27 -5.566 12.021 -10.530 168 HE ARG 27 HE ARG 27 -7.656 12.824 -11.017 169 HH11 ARG 27 HH11 ARG 27 -6.637 14.101 -7.933 170 HH12 ARG 27 HH12 ARG 27 -7.964 15.207 -7.812 171 HH21 ARG 27 HH21 ARG 27 -9.402 14.278 -10.859 172 HH22 ARG 27 HH22 ARG 27 -9.535 15.307 -9.472 173 H CYS 28 HN CYS 28 -3.024 8.800 -6.698 174 HA CYS 28 HA CYS 28 -3.619 10.478 -4.354 175 HB2 CYS 28 HB2 CYS 28 -4.347 7.689 -4.941 176 HB3 CYS 28 HB1 CYS 28 -3.648 7.935 -3.345 177 H CYS 29 HN CYS 29 -1.162 10.432 -5.815 178 HA CYS 29 HA CYS 29 0.663 10.143 -3.693 179 HB2 CYS 29 HB2 CYS 29 1.248 7.989 -3.811 180 HB3 CYS 29 HB1 CYS 29 0.143 7.739 -5.154 181 H ASN 30 HN ASN 30 2.357 11.440 -4.061 182 HA ASN 30 HA ASN 30 2.824 12.288 -6.844 183 HB2 ASN 30 HB2 ASN 30 3.494 14.441 -6.036 184 HB3 ASN 30 HB1 ASN 30 1.948 14.044 -5.296 185 HD21 ASN 30 HD21 ASN 30 5.085 15.061 -4.775 186 HD22 ASN 30 HD22 ASN 30 5.124 14.907 -3.057 187 H ALA 31 HN ALA 31 4.784 12.064 -7.716 188 HA ALA 31 HA ALA 31 6.755 10.477 -6.441 189 HB1 ALA 31 HB1 ALA 31 7.832 11.920 -8.678 190 HB2 ALA 31 HB2 ALA 31 6.207 11.346 -9.050 191 HB3 ALA 31 HB3 ALA 31 7.447 10.205 -8.532 192 H ALA 32 HN ALA 32 6.368 13.935 -6.905 193 HA ALA 32 HA ALA 32 8.878 14.918 -6.418 194 HB1 ALA 32 HB1 ALA 32 6.506 16.067 -6.774 195 HB2 ALA 32 HB2 ALA 32 7.892 16.939 -6.118 196 HB3 ALA 32 HB3 ALA 32 6.657 16.301 -5.033 197 H THR 33 HN THR 33 6.775 13.321 -4.171 198 HA THR 33 HA THR 33 8.673 13.912 -1.991 199 HB THR 33 HB THR 33 6.322 14.776 -1.671 200 HG1 THR 33 HG1 THR 33 6.607 14.458 0.381 201 HG21 THR 33 HG21 THR 33 4.511 13.360 -1.276 202 HG22 THR 33 HG22 THR 33 5.535 11.928 -1.170 203 HG23 THR 33 HG23 THR 33 5.259 12.700 -2.729 204 H CYS 34 HN CYS 34 7.250 11.545 -3.979 205 HA CYS 34 HA CYS 34 7.518 9.310 -4.144 206 HB2 CYS 34 HB2 CYS 34 9.552 9.616 -1.924 207 HB3 CYS 34 HB1 CYS 34 9.362 8.220 -2.978 208 H LYS 35 HN LYS 35 5.434 10.344 -2.678 209 HA LYS 35 HA LYS 35 4.791 8.066 -1.030 210 HB2 LYS 35 HB2 LYS 35 4.824 10.803 0.270 211 HB3 LYS 35 HB1 LYS 35 4.299 9.300 1.014 212 HG2 LYS 35 HG2 LYS 35 6.617 8.434 0.743 213 HG3 LYS 35 HG1 LYS 35 7.094 10.038 0.185 214 HD2 LYS 35 HD2 LYS 35 7.575 10.304 2.388 215 HD3 LYS 35 HD1 LYS 35 5.865 10.734 2.451 216 HE2 LYS 35 HE2 LYS 35 5.847 9.194 4.107 217 HE3 LYS 35 HE1 LYS 35 5.661 8.081 2.753 218 HZ1 LYS 35 HZ1 LYS 35 8.203 8.010 2.781 219 HZ2 LYS 35 HZ2 LYS 35 7.376 7.170 3.993 220 HZ3 LYS 35 HZ3 LYS 35 8.081 8.668 4.335 221 H LEU 36 HN LEU 36 2.520 8.454 -0.018 222 HA LEU 36 HA LEU 36 0.722 8.968 -2.106 223 HB2 LEU 36 HB2 LEU 36 -0.065 9.087 0.787 224 HB3 LEU 36 HB1 LEU 36 -0.995 8.501 -0.579 225 HG LEU 36 HG LEU 36 1.109 6.761 -0.590 226 HD11 LEU 36 HD11 LEU 36 2.219 7.033 1.341 227 HD12 LEU 36 HD12 LEU 36 0.862 6.150 2.041 228 HD13 LEU 36 HD13 LEU 36 0.892 7.913 2.099 229 HD21 LEU 36 HD21 LEU 36 -0.449 5.161 0.368 230 HD22 LEU 36 HD22 LEU 36 -1.271 6.219 -0.779 231 HD23 LEU 36 HD23 LEU 36 -1.464 6.478 0.955 232 H THR 37 HN THR 37 -0.760 10.653 -2.439 233 HA THR 37 HA THR 37 0.241 13.257 -1.730 234 HB THR 37 HB THR 37 -1.981 13.898 -3.010 235 HG1 THR 37 HG1 THR 37 -2.968 11.970 -3.193 236 HG21 THR 37 HG21 THR 37 0.569 12.851 -4.110 237 HG22 THR 37 HG22 THR 37 -0.130 14.468 -4.206 238 HG23 THR 37 HG23 THR 37 -0.765 13.170 -5.218 239 HA PRO 38 HA PRO 38 -2.189 14.490 1.718 240 HB2 PRO 38 HB2 PRO 38 -3.686 16.606 0.631 241 HB3 PRO 38 HB1 PRO 38 -2.108 16.732 1.409 242 HG2 PRO 38 HG2 PRO 38 -2.790 16.607 -1.488 243 HG3 PRO 38 HG1 PRO 38 -1.495 17.503 -0.673 244 HD2 PRO 38 HD2 PRO 38 -0.978 15.272 -2.053 245 HD3 PRO 38 HD1 PRO 38 -0.118 15.634 -0.540 246 H GLY 39 HN GLY 39 -3.750 13.152 2.367 247 HA2 GLY 39 HA2 GLY 39 -6.143 12.853 2.603 248 HA3 GLY 39 HA1 GLY 39 -6.300 13.183 0.884 249 H SER 40 HN SER 40 -3.868 11.454 0.398 250 HA SER 40 HA SER 40 -5.331 8.981 0.100 251 HB2 SER 40 HB2 SER 40 -3.947 9.729 -1.751 252 HB3 SER 40 HB1 SER 40 -2.522 9.763 -0.713 253 HG SER 40 HG SER 40 -2.771 7.489 -0.464 254 H GLN 41 HN GLN 41 -5.268 7.322 1.461 255 HA GLN 41 HA GLN 41 -3.085 7.222 3.434 256 HB2 GLN 41 HB2 GLN 41 -5.989 6.909 3.672 257 HB3 GLN 41 HB1 GLN 41 -5.075 5.638 4.474 258 HG2 GLN 41 HG2 GLN 41 -3.752 7.898 5.264 259 HG3 GLN 41 HG1 GLN 41 -5.428 8.440 5.193 260 HE21 GLN 41 HE21 GLN 41 -6.683 6.041 5.881 261 HE22 GLN 41 HE22 GLN 41 -6.331 5.691 7.535 262 H CYS 42 HN CYS 42 -3.506 5.926 0.638 263 HA CYS 42 HA CYS 42 -2.204 3.482 1.293 264 HB2 CYS 42 HB2 CYS 42 -3.839 1.896 0.577 265 HB3 CYS 42 HB1 CYS 42 -4.558 2.900 1.824 266 H ASN 43 HN ASN 43 -4.187 4.933 -1.279 267 HA ASN 43 HA ASN 43 -3.785 5.344 -3.469 268 HB2 ASN 43 HB2 ASN 43 -1.805 6.515 -2.676 269 HB3 ASN 43 HB1 ASN 43 -0.897 5.006 -2.642 270 HD21 ASN 43 HD21 ASN 43 0.542 5.060 -4.206 271 HD22 ASN 43 HD22 ASN 43 0.256 5.554 -5.837 272 H TYR 44 HN TYR 44 -2.530 2.467 -2.038 273 HA TYR 44 HA TYR 44 -3.461 0.745 -3.994 274 HB2 TYR 44 HB2 TYR 44 -1.542 0.080 -5.238 275 HB3 TYR 44 HB1 TYR 44 -1.584 1.835 -5.324 276 HD1 TYR 44 HD2 TYR 44 0.046 -1.015 -3.603 277 HD2 TYR 44 HD1 TYR 44 0.241 3.124 -4.566 278 HE1 TYR 44 HE2 TYR 44 2.347 -0.931 -2.743 279 HE2 TYR 44 HE1 TYR 44 2.544 3.220 -3.710 280 HH TYR 44 HH TYR 44 3.861 1.143 -1.736 281 H GLY 45 HN GLY 45 -2.655 -1.525 -3.650 282 HA2 GLY 45 HA2 GLY 45 -1.308 -3.000 -2.239 283 HA3 GLY 45 HA1 GLY 45 -1.514 -1.833 -0.942 284 H GLU 46 HN GLU 46 -2.051 -4.434 -0.449 285 HA GLU 46 HA GLU 46 -4.661 -5.323 -0.919 286 HB2 GLU 46 HB2 GLU 46 -2.420 -6.072 0.749 287 HB3 GLU 46 HB1 GLU 46 -3.935 -6.280 1.615 288 HG2 GLU 46 HG2 GLU 46 -3.129 -7.531 -0.997 289 HG3 GLU 46 HG1 GLU 46 -3.416 -8.335 0.545 290 H CYS 47 HN CYS 47 -3.323 -3.462 1.785 291 HA CYS 47 HA CYS 47 -5.811 -3.284 3.172 292 HB2 CYS 47 HB2 CYS 47 -3.078 -2.202 3.502 293 HB3 CYS 47 HB1 CYS 47 -4.373 -1.280 4.254 294 H CYS 48 HN CYS 48 -4.487 -1.593 0.503 295 HA CYS 48 HA CYS 48 -5.679 0.927 0.907 296 HB2 CYS 48 HB2 CYS 48 -3.846 0.470 -0.716 297 HB3 CYS 48 HB1 CYS 48 -4.998 -0.403 -1.721 298 H ASP 49 HN ASP 49 -7.620 1.734 0.416 299 HA ASP 49 HA ASP 49 -9.486 0.412 -1.312 300 HB2 ASP 49 HB2 ASP 49 -9.566 -0.656 1.120 301 HB3 ASP 49 HB1 ASP 49 -10.536 0.773 1.462 302 H GLN 50 HN GLN 50 -9.918 2.210 -2.455 303 HA GLN 50 HA GLN 50 -10.740 4.265 -2.988 304 HB2 GLN 50 HB2 GLN 50 -12.482 3.367 -1.180 305 HB3 GLN 50 HB1 GLN 50 -11.831 4.710 -0.251 306 HG2 GLN 50 HG2 GLN 50 -13.393 5.924 -1.271 307 HG3 GLN 50 HG1 GLN 50 -12.310 5.884 -2.661 308 HE21 GLN 50 HE21 GLN 50 -13.387 5.505 -4.449 309 HE22 GLN 50 HE22 GLN 50 -14.704 4.403 -4.637 310 H CYS 51 HN CYS 51 -8.113 4.093 -2.129 311 HA CYS 51 HA CYS 51 -6.350 5.393 -1.537 312 HB2 CYS 51 HB2 CYS 51 -8.504 7.476 -1.749 313 HB3 CYS 51 HB1 CYS 51 -6.881 7.903 -1.216 314 H ARG 52 HN ARG 52 -8.151 4.105 0.483 315 HA ARG 52 HA ARG 52 -7.002 5.431 2.816 316 HB2 ARG 52 HB2 ARG 52 -9.565 5.990 2.244 317 HB3 ARG 52 HB1 ARG 52 -9.801 4.490 3.129 318 HG2 ARG 52 HG2 ARG 52 -9.280 5.420 5.103 319 HG3 ARG 52 HG1 ARG 52 -7.991 6.409 4.414 320 HD2 ARG 52 HD2 ARG 52 -10.113 7.619 3.312 321 HD3 ARG 52 HD1 ARG 52 -10.864 7.011 4.787 322 HE ARG 52 HE ARG 52 -8.377 8.382 5.234 323 HH11 ARG 52 HH11 ARG 52 -11.826 8.762 4.859 324 HH12 ARG 52 HH12 ARG 52 -11.881 10.258 5.729 325 HH21 ARG 52 HH21 ARG 52 -8.449 10.349 6.380 326 HH22 ARG 52 HH22 ARG 52 -9.964 11.159 6.592 327 H PHE 53 HN PHE 53 -6.186 3.997 4.245 328 HA PHE 53 HA PHE 53 -5.992 1.285 3.612 329 HB2 PHE 53 HB2 PHE 53 -5.488 2.777 6.181 330 HB3 PHE 53 HB1 PHE 53 -5.227 1.039 6.045 331 HD1 PHE 53 HD2 PHE 53 -4.225 1.085 3.167 332 HD2 PHE 53 HD1 PHE 53 -3.247 3.410 6.592 333 HE1 PHE 53 HE2 PHE 53 -1.996 1.488 2.245 334 HE2 PHE 53 HE1 PHE 53 -1.001 3.820 5.673 335 HZ PHE 53 HZ PHE 53 -0.370 2.858 3.493 336 H LYS 54 HN LYS 54 -6.921 -0.556 4.410 337 HA LYS 54 HA LYS 54 -9.685 -0.359 5.079 338 HB2 LYS 54 HB2 LYS 54 -7.732 -2.548 4.631 339 HB3 LYS 54 HB1 LYS 54 -9.137 -2.942 5.611 340 HG2 LYS 54 HG2 LYS 54 -10.534 -2.894 3.861 341 HG3 LYS 54 HG1 LYS 54 -9.743 -1.493 3.136 342 HD2 LYS 54 HD2 LYS 54 -7.829 -3.162 2.607 343 HD3 LYS 54 HD1 LYS 54 -9.058 -4.398 2.881 344 HE2 LYS 54 HE2 LYS 54 -10.402 -2.721 1.247 345 HE3 LYS 54 HE1 LYS 54 -8.755 -2.477 0.667 346 HZ1 LYS 54 HZ1 LYS 54 -10.269 -4.384 -0.273 347 HZ2 LYS 54 HZ2 LYS 54 -9.676 -5.225 1.069 348 HZ3 LYS 54 HZ3 LYS 54 -8.602 -4.605 -0.081 349 H LYS 55 HN LYS 55 -10.405 0.222 7.017 350 HA LYS 55 HA LYS 55 -9.122 0.639 9.330 351 HB2 LYS 55 HB2 LYS 55 -11.512 1.103 8.992 352 HB3 LYS 55 HB1 LYS 55 -11.865 -0.615 9.122 353 HG2 LYS 55 HG2 LYS 55 -12.380 0.128 11.230 354 HG3 LYS 55 HG1 LYS 55 -10.709 -0.399 11.444 355 HD2 LYS 55 HD2 LYS 55 -10.237 2.123 10.746 356 HD3 LYS 55 HD1 LYS 55 -11.856 2.340 11.415 357 HE2 LYS 55 HE2 LYS 55 -10.504 2.680 13.263 358 HE3 LYS 55 HE1 LYS 55 -10.942 0.979 13.420 359 HZ1 LYS 55 HZ1 LYS 55 -8.511 1.602 11.928 360 HZ2 LYS 55 HZ2 LYS 55 -8.846 0.300 12.954 361 HZ3 LYS 55 HZ3 LYS 55 -8.459 1.811 13.606 362 H ALA 56 HN ALA 56 -8.000 -0.474 10.781 363 HA ALA 56 HA ALA 56 -7.115 -3.000 10.597 364 HB1 ALA 56 HB1 ALA 56 -7.134 -2.969 13.219 365 HB2 ALA 56 HB2 ALA 56 -7.629 -1.291 12.979 366 HB3 ALA 56 HB3 ALA 56 -6.102 -1.866 12.309 367 H GLY 57 HN GLY 57 -7.892 -4.994 10.723 368 HA2 GLY 57 HA2 GLY 57 -9.319 -6.581 11.976 369 HA3 GLY 57 HA1 GLY 57 -10.570 -5.344 11.942 370 H THR 58 HN THR 58 -9.372 -4.855 9.065 371 HA THR 58 HA THR 58 -11.360 -6.453 7.727 372 HB THR 58 HB THR 58 -9.224 -4.623 6.604 373 HG1 THR 58 HG1 THR 58 -10.504 -3.105 7.234 374 HG21 THR 58 HG21 THR 58 -10.794 -6.433 5.224 375 HG22 THR 58 HG22 THR 58 -9.938 -5.040 4.556 376 HG23 THR 58 HG23 THR 58 -11.629 -4.890 5.039 377 H VAL 59 HN VAL 59 -10.953 -8.569 7.414 378 HA VAL 59 HA VAL 59 -8.352 -9.669 7.323 379 HB VAL 59 HB VAL 59 -10.264 -11.012 8.043 380 HG11 VAL 59 HG11 VAL 59 -11.672 -9.914 6.064 381 HG12 VAL 59 HG12 VAL 59 -12.113 -11.450 6.809 382 HG13 VAL 59 HG13 VAL 59 -11.233 -11.431 5.281 383 HG21 VAL 59 HG21 VAL 59 -8.355 -12.233 7.263 384 HG22 VAL 59 HG22 VAL 59 -8.866 -12.050 5.585 385 HG23 VAL 59 HG23 VAL 59 -9.808 -13.051 6.689 386 H CYS 60 HN CYS 60 -6.941 -9.630 5.712 387 HA CYS 60 HA CYS 60 -7.944 -9.242 2.968 388 HB2 CYS 60 HB2 CYS 60 -5.117 -8.850 3.941 389 HB3 CYS 60 HB1 CYS 60 -5.792 -8.347 2.397 390 H ARG 61 HN ARG 61 -6.194 -11.393 5.033 391 HA ARG 61 HA ARG 61 -6.167 -13.412 2.953 392 HB2 ARG 61 HB2 ARG 61 -3.576 -12.759 4.351 393 HB3 ARG 61 HB1 ARG 61 -3.831 -13.892 3.034 394 HG2 ARG 61 HG2 ARG 61 -4.500 -11.905 1.627 395 HG3 ARG 61 HG1 ARG 61 -3.879 -10.894 2.934 396 HD2 ARG 61 HD2 ARG 61 -2.278 -13.036 1.545 397 HD3 ARG 61 HD1 ARG 61 -2.248 -11.337 1.087 398 HE ARG 61 HE ARG 61 -1.190 -12.490 3.569 399 HH11 ARG 61 HH11 ARG 61 -1.602 -9.711 1.485 400 HH12 ARG 61 HH12 ARG 61 -0.369 -8.790 2.274 401 HH21 ARG 61 HH21 ARG 61 0.426 -11.275 4.596 402 HH22 ARG 61 HH22 ARG 61 0.782 -9.675 4.038 403 H ILE 62 HN ILE 62 -5.169 -15.496 3.851 404 HA ILE 62 HA ILE 62 -5.313 -15.869 6.704 405 HB ILE 62 HB ILE 62 -7.211 -17.542 5.079 406 HG12 ILE 62 HG12 ILE 62 -9.039 -16.113 6.152 407 HG13 ILE 62 HG11 ILE 62 -7.785 -14.917 6.452 408 HG21 ILE 62 HG21 ILE 62 -6.219 -17.924 7.541 409 HG22 ILE 62 HG22 ILE 62 -7.817 -18.476 7.039 410 HG23 ILE 62 HG23 ILE 62 -7.648 -16.967 7.936 411 HD11 ILE 62 HD11 ILE 62 -9.270 -15.445 4.062 412 HD12 ILE 62 HD12 ILE 62 -7.539 -15.598 3.759 413 HD13 ILE 62 HD13 ILE 62 -8.186 -14.105 4.440 414 H ALA 63 HN ALA 63 -3.804 -17.311 7.197 415 HA ALA 63 HA ALA 63 -2.097 -18.535 5.468 416 HB1 ALA 63 HB1 ALA 63 -2.394 -20.281 7.704 417 HB2 ALA 63 HB2 ALA 63 -2.547 -18.610 8.244 418 HB3 ALA 63 HB3 ALA 63 -1.110 -19.122 7.360 419 H ARG 64 HN ARG 64 -4.530 -20.453 7.220 420 HA ARG 64 HA ARG 64 -5.702 -21.661 5.001 421 HB2 ARG 64 HB2 ARG 64 -3.145 -22.531 5.110 422 HB3 ARG 64 HB1 ARG 64 -3.917 -23.733 6.134 423 HG2 ARG 64 HG2 ARG 64 -3.841 -24.557 3.890 424 HG3 ARG 64 HG1 ARG 64 -5.519 -24.197 4.304 425 HD2 ARG 64 HD2 ARG 64 -5.516 -23.126 2.324 426 HD3 ARG 64 HD1 ARG 64 -4.751 -21.832 3.246 427 HE ARG 64 HE ARG 64 -2.653 -23.328 2.434 428 HH11 ARG 64 HH11 ARG 64 -5.357 -21.908 0.746 429 HH12 ARG 64 HH12 ARG 64 -4.481 -21.694 -0.733 430 HH21 ARG 64 HH21 ARG 64 -1.500 -23.046 0.490 431 HH22 ARG 64 HH22 ARG 64 -2.292 -22.340 -0.879 432 H GLY 65 HN GLY 65 -7.172 -20.953 6.855 433 HA2 GLY 65 HA2 GLY 65 -8.727 -22.846 7.835 434 HA3 GLY 65 HA1 GLY 65 -7.391 -22.958 8.971 435 H ASP 66 HN ASP 66 -7.510 -21.757 10.738 436 HA ASP 66 HA ASP 66 -8.499 -19.107 10.789 437 HB2 ASP 66 HB2 ASP 66 -10.550 -20.899 10.781 438 HB3 ASP 66 HB1 ASP 66 -10.269 -20.720 12.510 439 H TRP 67 HN TRP 67 -6.433 -18.962 11.762 440 HA TRP 67 HA TRP 67 -6.372 -19.820 14.582 441 HB2 TRP 67 HB2 TRP 67 -3.733 -19.271 13.749 442 HB3 TRP 67 HB1 TRP 67 -4.427 -20.843 14.126 443 HD1 TRP 67 HD1 TRP 67 -4.147 -18.494 11.043 444 HE1 TRP 67 HE1 TRP 67 -3.921 -19.969 8.955 445 HE3 TRP 67 HE3 TRP 67 -4.572 -23.072 13.247 446 HZ2 TRP 67 HZ2 TRP 67 -3.921 -22.713 8.321 447 HZ3 TRP 67 HZ3 TRP 67 -4.448 -25.085 11.830 448 HH2 TRP 67 HH2 TRP 67 -4.128 -24.906 9.414 449 H ASN 68 HN ASN 68 -4.578 -17.575 12.533 450 HA ASN 68 HA ASN 68 -5.073 -15.447 14.509 451 HB2 ASN 68 HB2 ASN 68 -2.823 -15.304 12.533 452 HB3 ASN 68 HB1 ASN 68 -2.955 -14.566 14.125 453 HD21 ASN 68 HD21 ASN 68 -2.514 -17.625 12.445 454 HD22 ASN 68 HD22 ASN 68 -1.637 -18.405 13.713 455 H ASP 69 HN ASP 69 -4.994 -16.313 11.115 456 HA ASP 69 HA ASP 69 -5.945 -15.395 9.268 457 HB2 ASP 69 HB2 ASP 69 -7.588 -14.297 11.488 458 HB3 ASP 69 HB1 ASP 69 -7.763 -13.547 9.906 459 H ASP 70 HN ASP 70 -5.584 -13.725 7.845 460 HA ASP 70 HA ASP 70 -3.683 -11.741 8.708 461 HB2 ASP 70 HB2 ASP 70 -3.639 -12.993 6.470 462 HB3 ASP 70 HB1 ASP 70 -4.943 -11.924 5.984 463 H TYR 71 HN TYR 71 -4.123 -9.700 9.285 464 HA TYR 71 HA TYR 71 -6.674 -8.547 8.411 465 HB2 TYR 71 HB2 TYR 71 -5.714 -8.927 11.215 466 HB3 TYR 71 HB1 TYR 71 -6.781 -7.581 10.817 467 HD1 TYR 71 HD2 TYR 71 -8.944 -8.119 9.633 468 HD2 TYR 71 HD1 TYR 71 -6.597 -11.056 11.588 469 HE1 TYR 71 HE2 TYR 71 -10.905 -9.578 9.737 470 HE2 TYR 71 HE1 TYR 71 -8.536 -12.553 11.691 471 HH TYR 71 HH TYR 71 -11.670 -11.539 11.212 472 H CYS 72 HN CYS 72 -6.765 -6.401 8.140 473 HA CYS 72 HA CYS 72 -4.336 -5.004 7.685 474 HB2 CYS 72 HB2 CYS 72 -6.606 -4.688 6.522 475 HB3 CYS 72 HB1 CYS 72 -7.050 -3.719 7.923 476 H THR 73 HN THR 73 -3.832 -2.871 8.675 477 HA THR 73 HA THR 73 -4.538 -2.838 11.536 478 HB THR 73 HB THR 73 -2.338 -2.342 12.144 479 HG1 THR 73 HG1 THR 73 -1.800 -0.735 10.739 480 HG21 THR 73 HG21 THR 73 -2.714 -4.645 10.834 481 HG22 THR 73 HG22 THR 73 -1.176 -4.175 11.559 482 HG23 THR 73 HG23 THR 73 -1.449 -3.933 9.833 483 H GLY 74 HN GLY 74 -5.155 -1.257 8.807 484 HA2 GLY 74 HA2 GLY 74 -5.782 0.881 8.269 485 HA3 GLY 74 HA1 GLY 74 -6.098 1.072 9.986 486 H LYS 75 HN LYS 75 -2.884 0.321 8.907 487 HA LYS 75 HA LYS 75 -2.092 3.132 9.066 488 HB2 LYS 75 HB2 LYS 75 -0.746 0.965 10.685 489 HB3 LYS 75 HB1 LYS 75 -0.303 2.666 10.642 490 HG2 LYS 75 HG2 LYS 75 -2.897 2.847 11.380 491 HG3 LYS 75 HG1 LYS 75 -2.449 1.305 12.113 492 HD2 LYS 75 HD2 LYS 75 -0.500 2.427 13.162 493 HD3 LYS 75 HD1 LYS 75 -1.078 3.963 12.511 494 HE2 LYS 75 HE2 LYS 75 -2.369 2.201 14.576 495 HE3 LYS 75 HE1 LYS 75 -1.849 3.878 14.739 496 HZ1 LYS 75 HZ1 LYS 75 -3.587 4.523 13.181 497 HZ2 LYS 75 HZ2 LYS 75 -4.242 3.729 14.522 498 HZ3 LYS 75 HZ3 LYS 75 -4.093 2.914 13.048 499 H SER 76 HN SER 76 -2.161 0.705 7.102 500 HA SER 76 HA SER 76 0.059 1.492 5.572 501 HB2 SER 76 HB2 SER 76 1.139 -0.932 5.767 502 HB3 SER 76 HB1 SER 76 1.618 0.380 6.843 503 HG SER 76 HG SER 76 0.101 -1.896 7.366 504 H SER 77 HN SER 77 0.354 0.158 3.625 505 HA SER 77 HA SER 77 -2.207 -0.867 2.717 506 HB2 SER 77 HB2 SER 77 -0.355 -1.155 0.640 507 HB3 SER 77 HB1 SER 77 -1.504 0.165 0.852 508 HG SER 77 HG SER 77 1.215 0.045 1.584 509 H ASP 78 HN ASP 78 -0.057 -2.295 4.526 510 HA ASP 78 HA ASP 78 -0.029 -4.807 2.991 511 HB2 ASP 78 HB2 ASP 78 1.846 -3.903 5.186 512 HB3 ASP 78 HB1 ASP 78 1.909 -5.466 4.378 513 H CYS 79 HN CYS 79 -1.318 -6.341 3.693 514 HA CYS 79 HA CYS 79 -2.451 -6.177 6.388 515 HB2 CYS 79 HB2 CYS 79 -3.441 -6.958 3.825 516 HB3 CYS 79 HB1 CYS 79 -3.532 -8.353 4.895 517 HA PRO 80 HA PRO 80 0.654 -9.384 7.302 518 HB2 PRO 80 HB2 PRO 80 0.432 -9.213 9.996 519 HB3 PRO 80 HB1 PRO 80 1.369 -8.059 9.039 520 HG2 PRO 80 HG2 PRO 80 -1.411 -7.799 10.125 521 HG3 PRO 80 HG1 PRO 80 -0.091 -6.614 10.138 522 HD2 PRO 80 HD2 PRO 80 -2.096 -6.519 8.329 523 HD3 PRO 80 HD1 PRO 80 -0.442 -6.010 7.938 524 H TRP 81 HN TRP 81 0.335 -11.510 7.446 525 HA TRP 81 HA TRP 81 -2.129 -12.773 7.547 526 HB2 TRP 81 HB2 TRP 81 -0.043 -14.428 8.744 527 HB3 TRP 81 HB1 TRP 81 -0.973 -14.683 7.276 528 HD1 TRP 81 HD1 TRP 81 2.268 -12.988 8.488 529 HE1 TRP 81 HE1 TRP 81 3.852 -12.767 6.471 530 HE3 TRP 81 HE3 TRP 81 -0.895 -14.569 4.837 531 HZ2 TRP 81 HZ2 TRP 81 3.760 -13.217 3.685 532 HZ3 TRP 81 HZ3 TRP 81 -0.084 -14.654 2.509 533 HH2 TRP 81 HH2 TRP 81 2.199 -13.987 1.947 534 H ASN 82 HN ASN 82 -0.153 -11.641 10.121 535 HA ASN 82 HA ASN 82 -0.687 -11.274 12.330 536 HB2 ASN 82 HB2 ASN 82 -3.143 -11.511 11.535 537 HB3 ASN 82 HB1 ASN 82 -3.022 -13.164 12.131 538 HD21 ASN 82 HD21 ASN 82 -3.690 -9.983 12.922 539 HD22 ASN 82 HD22 ASN 82 -3.696 -10.138 14.643 540 H HIS 83 HN HIS 83 0.889 -13.426 11.086 541 HA HIS 83 HA HIS 83 0.682 -15.561 13.081 542 HB2 HIS 83 HB2 HIS 83 2.381 -15.457 10.578 543 HB3 HIS 83 HB1 HIS 83 2.102 -16.863 11.603 544 HD1 HIS 83 HD1 HIS 83 1.385 -16.627 8.511 545 HD2 HIS 83 HD2 HIS 83 -1.265 -16.260 11.690 546 HE1 HIS 83 HE1 HIS 83 -0.884 -17.144 7.560 547 HE2 HIS 83 HE2 HIS 83 -2.481 -16.840 9.483 Start of MODEL 11 1 H1 SER 1 HT1 SER 1 14.227 -2.596 -13.398 2 H2 SER 1 HT2 SER 1 13.949 -1.515 -14.702 3 H3 SER 1 HT3 SER 1 13.174 -1.260 -13.192 4 HA SER 1 HA SER 1 16.086 -1.222 -13.591 5 HB2 SER 1 HB2 SER 1 15.285 0.600 -14.862 6 HB3 SER 1 HB1 SER 1 13.990 0.942 -13.715 7 HG SER 1 HG SER 1 16.230 2.161 -13.794 8 HA PRO 2 HA PRO 2 16.510 -1.357 -9.211 9 HB2 PRO 2 HB2 PRO 2 18.128 1.134 -9.466 10 HB3 PRO 2 HB1 PRO 2 18.533 -0.395 -8.677 11 HG2 PRO 2 HG2 PRO 2 19.589 0.231 -11.038 12 HG3 PRO 2 HG1 PRO 2 19.090 -1.432 -10.677 13 HD2 PRO 2 HD2 PRO 2 17.751 0.625 -12.375 14 HD3 PRO 2 HD1 PRO 2 17.844 -1.135 -12.592 15 HA PRO 3 HA PRO 3 13.941 1.604 -7.173 16 HB2 PRO 3 HB2 PRO 3 15.868 2.289 -5.085 17 HB3 PRO 3 HB1 PRO 3 14.379 1.349 -4.962 18 HG2 PRO 3 HG2 PRO 3 16.824 0.226 -4.714 19 HG3 PRO 3 HG1 PRO 3 15.441 -0.642 -5.407 20 HD2 PRO 3 HD2 PRO 3 17.721 0.713 -6.804 21 HD3 PRO 3 HD1 PRO 3 16.961 -0.856 -7.152 22 H VAL 4 HN VAL 4 13.739 3.368 -8.523 23 HA VAL 4 HA VAL 4 15.622 5.585 -8.025 24 HB VAL 4 HB VAL 4 14.583 6.280 -10.413 25 HG11 VAL 4 HG11 VAL 4 16.911 6.337 -10.011 26 HG12 VAL 4 HG12 VAL 4 16.682 5.271 -11.397 27 HG13 VAL 4 HG13 VAL 4 16.993 4.588 -9.801 28 HG21 VAL 4 HG21 VAL 4 13.363 4.039 -10.426 29 HG22 VAL 4 HG22 VAL 4 14.946 3.310 -10.696 30 HG23 VAL 4 HG23 VAL 4 14.292 4.455 -11.867 31 H CYS 5 HN CYS 5 14.700 7.143 -6.870 32 HA CYS 5 HA CYS 5 11.824 7.478 -6.830 33 HB2 CYS 5 HB2 CYS 5 12.767 7.833 -4.710 34 HB3 CYS 5 HB1 CYS 5 14.134 8.728 -5.359 35 H GLY 6 HN GLY 6 11.054 8.294 -8.675 36 HA2 GLY 6 HA2 GLY 6 10.512 10.435 -9.739 37 HA3 GLY 6 HA1 GLY 6 12.226 10.828 -9.638 38 H ASN 7 HN ASN 7 11.078 7.658 -10.445 39 HA ASN 7 HA ASN 7 11.867 8.041 -13.254 40 HB2 ASN 7 HB2 ASN 7 12.778 6.062 -11.238 41 HB3 ASN 7 HB1 ASN 7 12.424 5.420 -12.841 42 HD21 ASN 7 HD21 ASN 7 13.971 8.334 -11.522 43 HD22 ASN 7 HD22 ASN 7 15.381 8.240 -12.516 44 H LYS 8 HN LYS 8 9.391 7.510 -11.242 45 HA LYS 8 HA LYS 8 7.243 6.914 -11.626 46 HB2 LYS 8 HB2 LYS 8 7.899 7.325 -14.112 47 HB3 LYS 8 HB1 LYS 8 7.962 5.571 -14.213 48 HG2 LYS 8 HG2 LYS 8 5.615 5.508 -13.380 49 HG3 LYS 8 HG1 LYS 8 5.583 7.268 -13.498 50 HD2 LYS 8 HD2 LYS 8 6.495 6.625 -15.959 51 HD3 LYS 8 HD1 LYS 8 5.482 5.221 -15.615 52 HE2 LYS 8 HE2 LYS 8 3.835 6.523 -16.428 53 HE3 LYS 8 HE1 LYS 8 3.852 7.218 -14.807 54 HZ1 LYS 8 HZ1 LYS 8 5.444 8.896 -15.661 55 HZ2 LYS 8 HZ2 LYS 8 3.918 8.982 -16.385 56 HZ3 LYS 8 HZ3 LYS 8 5.212 8.282 -17.221 57 H ILE 9 HN ILE 9 9.502 5.209 -10.562 58 HA ILE 9 HA ILE 9 8.049 2.651 -10.642 59 HB ILE 9 HB ILE 9 10.780 2.231 -9.878 60 HG12 ILE 9 HG12 ILE 9 10.428 3.530 -12.589 61 HG13 ILE 9 HG11 ILE 9 11.301 4.215 -11.220 62 HG21 ILE 9 HG21 ILE 9 9.949 0.325 -10.678 63 HG22 ILE 9 HG22 ILE 9 10.456 0.941 -12.250 64 HG23 ILE 9 HG23 ILE 9 8.787 1.148 -11.718 65 HD11 ILE 9 HD11 ILE 9 12.031 1.763 -12.795 66 HD12 ILE 9 HD12 ILE 9 12.849 2.280 -11.320 67 HD13 ILE 9 HD13 ILE 9 12.881 3.308 -12.754 68 H LEU 10 HN LEU 10 7.095 2.414 -8.728 69 HA LEU 10 HA LEU 10 7.984 3.730 -6.363 70 HB2 LEU 10 HB2 LEU 10 6.217 2.484 -5.231 71 HB3 LEU 10 HB1 LEU 10 5.627 3.213 -6.712 72 HG LEU 10 HG LEU 10 6.539 0.370 -6.774 73 HD11 LEU 10 HD11 LEU 10 4.181 1.430 -5.336 74 HD12 LEU 10 HD12 LEU 10 5.133 -0.026 -5.043 75 HD13 LEU 10 HD13 LEU 10 3.940 0.001 -6.342 76 HD21 LEU 10 HD21 LEU 10 4.284 0.575 -8.258 77 HD22 LEU 10 HD22 LEU 10 5.915 0.831 -8.882 78 HD23 LEU 10 HD23 LEU 10 4.929 2.212 -8.399 79 H GLU 11 HN GLU 11 10.221 2.712 -6.913 80 HA GLU 11 HA GLU 11 10.499 0.210 -5.392 81 HB2 GLU 11 HB2 GLU 11 12.155 1.275 -7.676 82 HB3 GLU 11 HB1 GLU 11 12.588 -0.137 -6.720 83 HG2 GLU 11 HG2 GLU 11 10.160 -0.898 -7.423 84 HG3 GLU 11 HG1 GLU 11 10.467 0.213 -8.756 85 H GLN 12 HN GLN 12 11.939 3.357 -6.127 86 HA GLN 12 HA GLN 12 14.042 3.165 -4.216 87 HB2 GLN 12 HB2 GLN 12 14.011 4.735 -6.149 88 HB3 GLN 12 HB1 GLN 12 12.760 5.659 -5.339 89 HG2 GLN 12 HG2 GLN 12 14.754 6.805 -4.912 90 HG3 GLN 12 HG1 GLN 12 14.396 5.935 -3.424 91 HE21 GLN 12 HE21 GLN 12 15.517 3.876 -3.106 92 HE22 GLN 12 HE22 GLN 12 17.128 3.710 -3.706 93 H GLY 13 HN GLY 13 12.069 2.252 -2.698 94 HA2 GLY 13 HA2 GLY 13 10.798 2.564 -0.804 95 HA3 GLY 13 HA1 GLY 13 12.085 3.681 -0.378 96 H GLU 14 HN GLU 14 9.735 4.013 -3.005 97 HA GLU 14 HA GLU 14 8.931 6.583 -1.863 98 HB2 GLU 14 HB2 GLU 14 8.066 5.534 -4.544 99 HB3 GLU 14 HB1 GLU 14 8.191 7.202 -4.011 100 HG2 GLU 14 HG2 GLU 14 10.283 7.358 -4.715 101 HG3 GLU 14 HG1 GLU 14 10.745 5.874 -3.896 102 H ASP 15 HN ASP 15 7.315 3.881 -3.518 103 HA ASP 15 HA ASP 15 5.378 2.758 -3.031 104 HB2 ASP 15 HB2 ASP 15 6.074 3.508 -0.551 105 HB3 ASP 15 HB1 ASP 15 4.630 4.499 -0.738 106 H CYS 16 HN CYS 16 5.784 5.626 -4.223 107 HA CYS 16 HA CYS 16 3.447 5.932 -5.569 108 HB2 CYS 16 HB2 CYS 16 3.193 6.908 -2.824 109 HB3 CYS 16 HB1 CYS 16 2.781 8.118 -4.034 110 H ASP 17 HN ASP 17 5.431 6.342 -6.811 111 HA ASP 17 HA ASP 17 6.111 9.206 -6.748 112 HB2 ASP 17 HB2 ASP 17 8.076 8.137 -5.990 113 HB3 ASP 17 HB1 ASP 17 7.902 6.817 -7.140 114 H CYS 18 HN CYS 18 6.796 10.085 -8.813 115 HA CYS 18 HA CYS 18 5.669 8.650 -11.126 116 HB2 CYS 18 HB2 CYS 18 5.426 11.585 -10.451 117 HB3 CYS 18 HB1 CYS 18 5.027 10.906 -12.020 118 H GLY 19 HN GLY 19 6.873 8.710 -12.997 119 HA2 GLY 19 HA2 GLY 19 9.601 9.056 -12.934 120 HA3 GLY 19 HA1 GLY 19 8.645 9.150 -14.406 121 H SER 20 HN SER 20 7.141 11.458 -13.701 122 HA SER 20 HA SER 20 9.165 13.547 -13.380 123 HB2 SER 20 HB2 SER 20 7.588 14.656 -15.317 124 HB3 SER 20 HB1 SER 20 9.128 13.855 -15.626 125 HG SER 20 HG SER 20 6.683 12.438 -15.568 126 HA PRO 21 HA PRO 21 6.024 14.980 -10.538 127 HB2 PRO 21 HB2 PRO 21 6.977 17.591 -10.412 128 HB3 PRO 21 HB1 PRO 21 7.510 16.255 -9.389 129 HG2 PRO 21 HG2 PRO 21 8.774 17.390 -11.840 130 HG3 PRO 21 HG1 PRO 21 9.536 16.768 -10.365 131 HD2 PRO 21 HD2 PRO 21 9.488 15.336 -12.632 132 HD3 PRO 21 HD1 PRO 21 9.334 14.560 -11.041 133 H ALA 22 HN ALA 22 6.794 16.449 -13.604 134 HA ALA 22 HA ALA 22 4.426 18.126 -13.603 135 HB1 ALA 22 HB1 ALA 22 6.327 19.077 -14.661 136 HB2 ALA 22 HB2 ALA 22 5.184 18.670 -15.941 137 HB3 ALA 22 HB3 ALA 22 6.582 17.636 -15.646 138 H ASN 23 HN ASN 23 5.486 15.053 -14.859 139 HA ASN 23 HA ASN 23 2.929 14.730 -16.276 140 HB2 ASN 23 HB2 ASN 23 5.432 14.291 -17.246 141 HB3 ASN 23 HB1 ASN 23 5.026 12.684 -16.652 142 HD21 ASN 23 HD21 ASN 23 5.403 13.588 -19.378 143 HD22 ASN 23 HD22 ASN 23 3.928 13.250 -20.212 144 H CYS 24 HN CYS 24 3.568 14.435 -13.350 145 HA CYS 24 HA CYS 24 3.578 11.757 -12.591 146 HB2 CYS 24 HB2 CYS 24 4.041 13.649 -11.073 147 HB3 CYS 24 HB1 CYS 24 2.340 14.092 -11.133 148 H GLN 25 HN GLN 25 2.169 10.669 -13.972 149 HA GLN 25 HA GLN 25 -0.644 11.292 -13.987 150 HB2 GLN 25 HB2 GLN 25 1.159 9.492 -15.433 151 HB3 GLN 25 HB1 GLN 25 -0.419 8.789 -15.109 152 HG2 GLN 25 HG2 GLN 25 -1.498 10.691 -16.179 153 HG3 GLN 25 HG1 GLN 25 0.079 11.417 -16.488 154 HE21 GLN 25 HE21 GLN 25 -1.250 8.145 -16.859 155 HE22 GLN 25 HE22 GLN 25 -0.809 7.970 -18.520 156 H ASP 26 HN ASP 26 0.071 10.919 -11.386 157 HA ASP 26 HA ASP 26 -1.423 8.502 -10.707 158 HB2 ASP 26 HB2 ASP 26 1.118 9.340 -9.290 159 HB3 ASP 26 HB1 ASP 26 0.114 7.945 -8.903 160 H ARG 27 HN ARG 27 -3.210 9.648 -10.135 161 HA ARG 27 HA ARG 27 -3.249 12.061 -8.725 162 HB2 ARG 27 HB2 ARG 27 -5.144 11.214 -10.015 163 HB3 ARG 27 HB1 ARG 27 -5.360 9.907 -8.859 164 HG2 ARG 27 HG2 ARG 27 -6.355 11.238 -7.326 165 HG3 ARG 27 HG1 ARG 27 -5.392 12.651 -7.766 166 HD2 ARG 27 HD2 ARG 27 -7.849 12.785 -8.313 167 HD3 ARG 27 HD1 ARG 27 -6.747 13.102 -9.652 168 HE ARG 27 HE ARG 27 -7.588 10.363 -9.493 169 HH11 ARG 27 HH11 ARG 27 -8.421 13.534 -10.689 170 HH12 ARG 27 HH12 ARG 27 -9.432 12.927 -11.957 171 HH21 ARG 27 HH21 ARG 27 -8.918 9.563 -11.160 172 HH22 ARG 27 HH22 ARG 27 -9.715 10.673 -12.225 173 H CYS 28 HN CYS 28 -2.869 8.797 -7.597 174 HA CYS 28 HA CYS 28 -3.253 9.698 -4.829 175 HB2 CYS 28 HB2 CYS 28 -3.646 7.126 -6.212 176 HB3 CYS 28 HB1 CYS 28 -2.917 7.006 -4.614 177 H CYS 29 HN CYS 29 -0.819 9.889 -6.774 178 HA CYS 29 HA CYS 29 1.147 9.323 -4.707 179 HB2 CYS 29 HB2 CYS 29 1.502 8.241 -7.505 180 HB3 CYS 29 HB1 CYS 29 2.607 8.056 -6.155 181 H ASN 30 HN ASN 30 2.706 10.851 -4.640 182 HA ASN 30 HA ASN 30 2.828 12.734 -6.909 183 HB2 ASN 30 HB2 ASN 30 1.987 13.860 -4.969 184 HB3 ASN 30 HB1 ASN 30 3.263 13.199 -3.956 185 HD21 ASN 30 HD21 ASN 30 4.405 14.893 -3.321 186 HD22 ASN 30 HD22 ASN 30 5.076 16.101 -4.357 187 H ALA 31 HN ALA 31 4.721 13.155 -7.881 188 HA ALA 31 HA ALA 31 6.972 11.463 -7.337 189 HB1 ALA 31 HB1 ALA 31 7.824 13.397 -9.128 190 HB2 ALA 31 HB2 ALA 31 6.100 13.236 -9.460 191 HB3 ALA 31 HB3 ALA 31 7.147 11.822 -9.531 192 H ALA 32 HN ALA 32 6.218 14.883 -6.923 193 HA ALA 32 HA ALA 32 8.736 15.825 -6.193 194 HB1 ALA 32 HB1 ALA 32 7.614 17.735 -6.079 195 HB2 ALA 32 HB2 ALA 32 6.725 17.168 -4.665 196 HB3 ALA 32 HB3 ALA 32 6.111 16.837 -6.285 197 H THR 33 HN THR 33 6.654 13.701 -4.513 198 HA THR 33 HA THR 33 8.206 14.084 -2.038 199 HB THR 33 HB THR 33 5.753 14.623 -1.875 200 HG1 THR 33 HG1 THR 33 5.841 13.932 0.102 201 HG21 THR 33 HG21 THR 33 5.237 11.679 -2.008 202 HG22 THR 33 HG22 THR 33 5.091 12.699 -3.438 203 HG23 THR 33 HG23 THR 33 4.086 13.015 -2.025 204 H CYS 34 HN CYS 34 7.140 11.924 -4.509 205 HA CYS 34 HA CYS 34 7.565 9.747 -4.953 206 HB2 CYS 34 HB2 CYS 34 9.869 10.589 -3.282 207 HB3 CYS 34 HB1 CYS 34 9.612 8.853 -3.416 208 H LYS 35 HN LYS 35 5.510 10.265 -3.306 209 HA LYS 35 HA LYS 35 5.204 7.819 -1.882 210 HB2 LYS 35 HB2 LYS 35 5.510 8.406 0.276 211 HB3 LYS 35 HB1 LYS 35 6.506 9.685 -0.399 212 HG2 LYS 35 HG2 LYS 35 4.265 11.024 -0.431 213 HG3 LYS 35 HG1 LYS 35 3.770 9.832 0.772 214 HD2 LYS 35 HD2 LYS 35 6.419 11.107 1.143 215 HD3 LYS 35 HD1 LYS 35 4.996 12.115 1.419 216 HE2 LYS 35 HE2 LYS 35 4.136 10.286 2.924 217 HE3 LYS 35 HE1 LYS 35 5.724 9.532 2.784 218 HZ1 LYS 35 HZ1 LYS 35 5.389 10.989 4.774 219 HZ2 LYS 35 HZ2 LYS 35 5.341 12.316 3.726 220 HZ3 LYS 35 HZ3 LYS 35 6.740 11.372 3.829 221 H LEU 36 HN LEU 36 3.068 7.891 -0.583 222 HA LEU 36 HA LEU 36 0.956 8.319 -2.273 223 HB2 LEU 36 HB2 LEU 36 1.128 8.165 0.715 224 HB3 LEU 36 HB1 LEU 36 -0.412 8.444 -0.072 225 HG LEU 36 HG LEU 36 1.266 6.099 -0.883 226 HD11 LEU 36 HD11 LEU 36 -0.591 6.209 1.487 227 HD12 LEU 36 HD12 LEU 36 1.153 5.946 1.531 228 HD13 LEU 36 HD13 LEU 36 0.097 4.740 0.794 229 HD21 LEU 36 HD21 LEU 36 -1.715 6.512 -0.753 230 HD22 LEU 36 HD22 LEU 36 -0.862 5.154 -1.484 231 HD23 LEU 36 HD23 LEU 36 -0.729 6.764 -2.192 232 H THR 37 HN THR 37 -0.591 9.895 -2.578 233 HA THR 37 HA THR 37 0.240 12.605 -1.875 234 HB THR 37 HB THR 37 -1.703 13.189 -3.458 235 HG1 THR 37 HG1 THR 37 -2.856 11.485 -3.885 236 HG21 THR 37 HG21 THR 37 -0.231 11.956 -5.419 237 HG22 THR 37 HG22 THR 37 0.930 12.173 -4.109 238 HG23 THR 37 HG23 THR 37 0.055 13.563 -4.752 239 HA PRO 38 HA PRO 38 -2.762 13.588 1.197 240 HB2 PRO 38 HB2 PRO 38 -4.048 15.484 -0.717 241 HB3 PRO 38 HB1 PRO 38 -3.506 15.757 0.943 242 HG2 PRO 38 HG2 PRO 38 -2.081 16.670 -1.109 243 HG3 PRO 38 HG1 PRO 38 -1.281 15.988 0.319 244 HD2 PRO 38 HD2 PRO 38 -1.673 14.797 -2.386 245 HD3 PRO 38 HD1 PRO 38 -0.314 14.618 -1.259 246 H GLY 39 HN GLY 39 -4.241 12.068 1.623 247 HA2 GLY 39 HA2 GLY 39 -6.601 11.509 1.516 248 HA3 GLY 39 HA1 GLY 39 -6.538 11.824 -0.213 249 H SER 40 HN SER 40 -3.988 10.424 -0.543 250 HA SER 40 HA SER 40 -5.067 7.743 -0.762 251 HB2 SER 40 HB2 SER 40 -2.253 8.255 -1.535 252 HB3 SER 40 HB1 SER 40 -3.528 7.410 -2.412 253 HG SER 40 HG SER 40 -4.444 9.618 -2.688 254 H GLN 41 HN GLN 41 -4.886 6.366 0.876 255 HA GLN 41 HA GLN 41 -2.521 6.567 2.617 256 HB2 GLN 41 HB2 GLN 41 -5.384 6.080 3.168 257 HB3 GLN 41 HB1 GLN 41 -4.248 5.119 4.104 258 HG2 GLN 41 HG2 GLN 41 -3.116 7.499 4.436 259 HG3 GLN 41 HG1 GLN 41 -4.774 8.029 4.158 260 HE21 GLN 41 HE21 GLN 41 -6.302 7.683 5.699 261 HE22 GLN 41 HE22 GLN 41 -5.959 7.027 7.260 262 H CYS 42 HN CYS 42 -3.133 4.895 0.055 263 HA CYS 42 HA CYS 42 -1.761 2.557 1.004 264 HB2 CYS 42 HB2 CYS 42 -3.394 0.906 0.444 265 HB3 CYS 42 HB1 CYS 42 -4.122 2.047 1.562 266 H ASN 43 HN ASN 43 -3.715 3.655 -1.761 267 HA ASN 43 HA ASN 43 -3.287 3.785 -3.979 268 HB2 ASN 43 HB2 ASN 43 -1.322 5.056 -3.414 269 HB3 ASN 43 HB1 ASN 43 -0.420 3.588 -3.047 270 HD21 ASN 43 HD21 ASN 43 1.125 3.507 -4.530 271 HD22 ASN 43 HD22 ASN 43 0.884 3.605 -6.238 272 H TYR 44 HN TYR 44 -2.047 1.118 -2.164 273 HA TYR 44 HA TYR 44 -2.986 -0.834 -3.901 274 HB2 TYR 44 HB2 TYR 44 -1.066 -1.669 -5.018 275 HB3 TYR 44 HB1 TYR 44 -1.047 0.068 -5.296 276 HD1 TYR 44 HD2 TYR 44 0.461 -2.642 -3.272 277 HD2 TYR 44 HD1 TYR 44 0.786 1.390 -4.591 278 HE1 TYR 44 HE2 TYR 44 2.743 -2.536 -2.366 279 HE2 TYR 44 HE1 TYR 44 3.070 1.507 -3.688 280 HH TYR 44 HH TYR 44 4.953 -0.668 -3.157 281 H GLY 45 HN GLY 45 -2.275 -3.048 -3.235 282 HA2 GLY 45 HA2 GLY 45 -0.992 -4.368 -1.622 283 HA3 GLY 45 HA1 GLY 45 -1.173 -3.035 -0.493 284 H GLU 46 HN GLU 46 -1.804 -5.518 0.347 285 HA GLU 46 HA GLU 46 -4.439 -6.383 -0.046 286 HB2 GLU 46 HB2 GLU 46 -2.477 -6.706 2.209 287 HB3 GLU 46 HB1 GLU 46 -4.094 -7.391 2.305 288 HG2 GLU 46 HG2 GLU 46 -3.224 -9.190 1.337 289 HG3 GLU 46 HG1 GLU 46 -3.226 -8.246 -0.151 290 H CYS 47 HN CYS 47 -3.058 -4.229 2.400 291 HA CYS 47 HA CYS 47 -5.516 -3.760 3.757 292 HB2 CYS 47 HB2 CYS 47 -2.748 -2.821 3.905 293 HB3 CYS 47 HB1 CYS 47 -3.924 -1.597 4.354 294 H CYS 48 HN CYS 48 -4.153 -2.520 0.854 295 HA CYS 48 HA CYS 48 -5.306 0.044 0.866 296 HB2 CYS 48 HB2 CYS 48 -3.462 -0.702 -0.642 297 HB3 CYS 48 HB1 CYS 48 -4.641 -1.650 -1.544 298 H ASP 49 HN ASP 49 -7.204 0.820 0.223 299 HA ASP 49 HA ASP 49 -9.094 -0.678 -1.321 300 HB2 ASP 49 HB2 ASP 49 -9.257 -1.412 1.208 301 HB3 ASP 49 HB1 ASP 49 -10.118 0.114 1.380 302 H GLN 50 HN GLN 50 -9.452 0.948 -2.721 303 HA GLN 50 HA GLN 50 -10.190 2.933 -3.560 304 HB2 GLN 50 HB2 GLN 50 -12.013 2.382 -1.742 305 HB3 GLN 50 HB1 GLN 50 -11.285 3.739 -0.893 306 HG2 GLN 50 HG2 GLN 50 -11.693 5.151 -2.874 307 HG3 GLN 50 HG1 GLN 50 -12.506 3.789 -3.643 308 HE21 GLN 50 HE21 GLN 50 -13.196 6.574 -2.362 309 HE22 GLN 50 HE22 GLN 50 -14.674 6.234 -1.533 310 H CYS 51 HN CYS 51 -7.575 2.792 -2.639 311 HA CYS 51 HA CYS 51 -5.771 4.097 -2.212 312 HB2 CYS 51 HB2 CYS 51 -7.831 6.048 -3.043 313 HB3 CYS 51 HB1 CYS 51 -6.450 6.708 -2.174 314 H ARG 52 HN ARG 52 -7.629 3.199 -0.055 315 HA ARG 52 HA ARG 52 -6.451 4.807 2.072 316 HB2 ARG 52 HB2 ARG 52 -9.419 4.286 1.824 317 HB3 ARG 52 HB1 ARG 52 -8.641 4.883 3.283 318 HG2 ARG 52 HG2 ARG 52 -8.420 6.318 0.657 319 HG3 ARG 52 HG1 ARG 52 -9.756 6.593 1.777 320 HD2 ARG 52 HD2 ARG 52 -6.823 7.091 2.216 321 HD3 ARG 52 HD1 ARG 52 -8.142 8.260 2.242 322 HE ARG 52 HE ARG 52 -7.298 6.548 4.390 323 HH11 ARG 52 HH11 ARG 52 -9.959 8.378 3.067 324 HH12 ARG 52 HH12 ARG 52 -10.760 8.553 4.593 325 HH21 ARG 52 HH21 ARG 52 -8.350 6.777 6.397 326 HH22 ARG 52 HH22 ARG 52 -9.847 7.644 6.483 327 H PHE 53 HN PHE 53 -5.683 3.521 3.662 328 HA PHE 53 HA PHE 53 -5.645 0.762 3.459 329 HB2 PHE 53 HB2 PHE 53 -5.210 2.552 5.845 330 HB3 PHE 53 HB1 PHE 53 -5.029 0.802 5.945 331 HD1 PHE 53 HD2 PHE 53 -3.883 0.486 3.116 332 HD2 PHE 53 HD1 PHE 53 -2.949 3.088 6.347 333 HE1 PHE 53 HE2 PHE 53 -1.590 0.670 2.291 334 HE2 PHE 53 HE1 PHE 53 -0.636 3.280 5.525 335 HZ PHE 53 HZ PHE 53 0.050 2.068 3.491 336 H LYS 54 HN LYS 54 -6.687 -0.918 4.470 337 HA LYS 54 HA LYS 54 -9.480 -0.492 4.925 338 HB2 LYS 54 HB2 LYS 54 -7.647 -2.808 4.797 339 HB3 LYS 54 HB1 LYS 54 -9.069 -3.025 5.806 340 HG2 LYS 54 HG2 LYS 54 -10.445 -3.159 4.049 341 HG3 LYS 54 HG1 LYS 54 -9.636 -1.846 3.191 342 HD2 LYS 54 HD2 LYS 54 -7.893 -3.349 2.455 343 HD3 LYS 54 HD1 LYS 54 -8.578 -4.663 3.413 344 HE2 LYS 54 HE2 LYS 54 -10.400 -3.370 1.486 345 HE3 LYS 54 HE1 LYS 54 -9.076 -4.304 0.792 346 HZ1 LYS 54 HZ1 LYS 54 -11.278 -5.228 2.521 347 HZ2 LYS 54 HZ2 LYS 54 -9.836 -6.107 2.428 348 HZ3 LYS 54 HZ3 LYS 54 -10.760 -5.850 1.035 349 H LYS 55 HN LYS 55 -10.467 0.019 6.781 350 HA LYS 55 HA LYS 55 -9.205 0.738 9.103 351 HB2 LYS 55 HB2 LYS 55 -11.564 1.240 8.615 352 HB3 LYS 55 HB1 LYS 55 -11.978 -0.450 8.868 353 HG2 LYS 55 HG2 LYS 55 -11.867 -0.286 11.122 354 HG3 LYS 55 HG1 LYS 55 -10.582 0.923 11.082 355 HD2 LYS 55 HD2 LYS 55 -13.218 1.747 10.021 356 HD3 LYS 55 HD1 LYS 55 -13.109 1.495 11.764 357 HE2 LYS 55 HE2 LYS 55 -10.972 3.084 10.447 358 HE3 LYS 55 HE1 LYS 55 -12.556 3.833 10.638 359 HZ1 LYS 55 HZ1 LYS 55 -12.226 2.878 13.072 360 HZ2 LYS 55 HZ2 LYS 55 -11.658 4.405 12.616 361 HZ3 LYS 55 HZ3 LYS 55 -10.597 3.088 12.663 362 H ALA 56 HN ALA 56 -8.052 -0.339 10.568 363 HA ALA 56 HA ALA 56 -7.322 -2.897 10.612 364 HB1 ALA 56 HB1 ALA 56 -7.375 -2.691 13.226 365 HB2 ALA 56 HB2 ALA 56 -7.776 -1.009 12.865 366 HB3 ALA 56 HB3 ALA 56 -6.273 -1.708 12.260 367 H GLY 57 HN GLY 57 -8.168 -4.848 10.924 368 HA2 GLY 57 HA2 GLY 57 -9.696 -6.260 12.264 369 HA3 GLY 57 HA1 GLY 57 -10.893 -4.983 12.077 370 H THR 58 HN THR 58 -9.657 -4.731 9.225 371 HA THR 58 HA THR 58 -11.628 -6.385 7.947 372 HB THR 58 HB THR 58 -9.415 -4.655 6.814 373 HG1 THR 58 HG1 THR 58 -10.896 -3.339 7.723 374 HG21 THR 58 HG21 THR 58 -9.931 -5.258 4.757 375 HG22 THR 58 HG22 THR 58 -11.659 -5.080 5.068 376 HG23 THR 58 HG23 THR 58 -10.846 -6.599 5.454 377 H VAL 59 HN VAL 59 -11.324 -8.499 7.585 378 HA VAL 59 HA VAL 59 -8.763 -9.715 7.782 379 HB VAL 59 HB VAL 59 -10.793 -10.927 8.428 380 HG11 VAL 59 HG11 VAL 59 -12.260 -9.998 6.666 381 HG12 VAL 59 HG12 VAL 59 -12.368 -11.753 6.802 382 HG13 VAL 59 HG13 VAL 59 -11.445 -11.025 5.487 383 HG21 VAL 59 HG21 VAL 59 -9.263 -12.185 6.155 384 HG22 VAL 59 HG22 VAL 59 -10.301 -13.065 7.277 385 HG23 VAL 59 HG23 VAL 59 -8.857 -12.245 7.871 386 H CYS 60 HN CYS 60 -7.267 -10.020 6.272 387 HA CYS 60 HA CYS 60 -8.046 -9.663 3.447 388 HB2 CYS 60 HB2 CYS 60 -5.225 -9.357 4.418 389 HB3 CYS 60 HB1 CYS 60 -5.987 -8.666 2.991 390 H ARG 61 HN ARG 61 -6.687 -11.835 5.725 391 HA ARG 61 HA ARG 61 -6.415 -13.873 3.678 392 HB2 ARG 61 HB2 ARG 61 -4.172 -12.566 4.009 393 HB3 ARG 61 HB1 ARG 61 -4.059 -13.484 5.501 394 HG2 ARG 61 HG2 ARG 61 -3.792 -15.496 4.405 395 HG3 ARG 61 HG1 ARG 61 -4.532 -14.901 2.918 396 HD2 ARG 61 HD2 ARG 61 -2.049 -15.238 2.815 397 HD3 ARG 61 HD1 ARG 61 -2.600 -13.626 2.372 398 HE ARG 61 HE ARG 61 -1.126 -14.374 4.785 399 HH11 ARG 61 HH11 ARG 61 -2.670 -11.876 2.885 400 HH12 ARG 61 HH12 ARG 61 -1.869 -10.585 3.712 401 HH21 ARG 61 HH21 ARG 61 -0.081 -12.673 5.868 402 HH22 ARG 61 HH22 ARG 61 -0.402 -11.035 5.403 403 H ILE 62 HN ILE 62 -5.540 -15.979 4.881 404 HA ILE 62 HA ILE 62 -6.027 -16.312 7.617 405 HB ILE 62 HB ILE 62 -8.347 -15.946 7.177 406 HG12 ILE 62 HG12 ILE 62 -9.325 -18.113 7.845 407 HG13 ILE 62 HG11 ILE 62 -7.816 -18.914 7.421 408 HG21 ILE 62 HG21 ILE 62 -8.776 -18.194 5.357 409 HG22 ILE 62 HG22 ILE 62 -7.852 -16.861 4.665 410 HG23 ILE 62 HG23 ILE 62 -9.457 -16.567 5.336 411 HD11 ILE 62 HD11 ILE 62 -7.128 -18.589 9.493 412 HD12 ILE 62 HD12 ILE 62 -8.564 -17.632 9.860 413 HD13 ILE 62 HD13 ILE 62 -7.132 -16.852 9.189 414 H ALA 63 HN ALA 63 -5.148 -18.168 8.248 415 HA ALA 63 HA ALA 63 -3.736 -19.755 6.416 416 HB1 ALA 63 HB1 ALA 63 -3.818 -19.451 9.212 417 HB2 ALA 63 HB2 ALA 63 -2.628 -20.317 8.242 418 HB3 ALA 63 HB3 ALA 63 -4.037 -21.168 8.871 419 H ARG 64 HN ARG 64 -5.893 -21.325 8.733 420 HA ARG 64 HA ARG 64 -7.587 -22.411 6.682 421 HB2 ARG 64 HB2 ARG 64 -5.507 -24.131 8.019 422 HB3 ARG 64 HB1 ARG 64 -6.968 -24.808 7.315 423 HG2 ARG 64 HG2 ARG 64 -5.605 -25.040 5.532 424 HG3 ARG 64 HG1 ARG 64 -6.136 -23.386 5.223 425 HD2 ARG 64 HD2 ARG 64 -3.964 -22.870 5.167 426 HD3 ARG 64 HD1 ARG 64 -4.009 -23.035 6.921 427 HE ARG 64 HE ARG 64 -3.560 -25.547 5.690 428 HH11 ARG 64 HH11 ARG 64 -1.963 -22.541 6.460 429 HH12 ARG 64 HH12 ARG 64 -0.386 -23.254 6.536 430 HH21 ARG 64 HH21 ARG 64 -1.488 -26.486 5.789 431 HH22 ARG 64 HH22 ARG 64 -0.116 -25.493 6.155 432 H GLY 65 HN GLY 65 -8.776 -21.081 8.421 433 HA2 GLY 65 HA2 GLY 65 -10.686 -22.360 9.684 434 HA3 GLY 65 HA1 GLY 65 -9.368 -22.689 10.797 435 H ASP 66 HN ASP 66 -9.118 -21.340 12.413 436 HA ASP 66 HA ASP 66 -9.413 -18.522 12.194 437 HB2 ASP 66 HB2 ASP 66 -11.828 -19.685 12.434 438 HB3 ASP 66 HB1 ASP 66 -11.400 -19.565 14.138 439 H TRP 67 HN TRP 67 -7.341 -18.658 13.079 440 HA TRP 67 HA TRP 67 -7.245 -19.347 15.945 441 HB2 TRP 67 HB2 TRP 67 -4.611 -19.333 14.939 442 HB3 TRP 67 HB1 TRP 67 -5.549 -20.732 15.447 443 HD1 TRP 67 HD1 TRP 67 -5.110 -18.629 12.192 444 HE1 TRP 67 HE1 TRP 67 -5.272 -20.229 10.201 445 HE3 TRP 67 HE3 TRP 67 -6.053 -22.959 14.724 446 HZ2 TRP 67 HZ2 TRP 67 -5.722 -22.984 9.752 447 HZ3 TRP 67 HZ3 TRP 67 -6.334 -25.041 13.440 448 HH2 TRP 67 HH2 TRP 67 -6.172 -25.051 11.003 449 H ASN 68 HN ASN 68 -5.222 -17.593 13.652 450 HA ASN 68 HA ASN 68 -5.131 -15.315 15.515 451 HB2 ASN 68 HB2 ASN 68 -3.189 -15.670 13.261 452 HB3 ASN 68 HB1 ASN 68 -2.973 -14.826 14.790 453 HD21 ASN 68 HD21 ASN 68 -3.331 -18.026 13.354 454 HD22 ASN 68 HD22 ASN 68 -2.408 -18.866 14.549 455 H ASP 69 HN ASP 69 -5.631 -16.346 12.216 456 HA ASP 69 HA ASP 69 -6.635 -15.370 10.428 457 HB2 ASP 69 HB2 ASP 69 -7.701 -13.727 12.685 458 HB3 ASP 69 HB1 ASP 69 -8.055 -13.279 11.022 459 H ASP 70 HN ASP 70 -6.602 -13.508 9.020 460 HA ASP 70 HA ASP 70 -4.275 -11.804 9.553 461 HB2 ASP 70 HB2 ASP 70 -4.065 -13.214 7.540 462 HB3 ASP 70 HB1 ASP 70 -5.547 -12.513 6.908 463 H TYR 71 HN TYR 71 -4.611 -9.699 9.877 464 HA TYR 71 HA TYR 71 -7.091 -8.539 8.838 465 HB2 TYR 71 HB2 TYR 71 -6.193 -8.636 11.692 466 HB3 TYR 71 HB1 TYR 71 -7.263 -7.360 11.116 467 HD1 TYR 71 HD2 TYR 71 -9.357 -8.105 9.870 468 HD2 TYR 71 HD1 TYR 71 -7.100 -10.674 12.378 469 HE1 TYR 71 HE2 TYR 71 -11.313 -9.549 10.103 470 HE2 TYR 71 HE1 TYR 71 -9.038 -12.156 12.629 471 HH TYR 71 HH TYR 71 -11.737 -11.713 12.414 472 H CYS 72 HN CYS 72 -7.033 -6.494 8.234 473 HA CYS 72 HA CYS 72 -4.570 -5.215 7.746 474 HB2 CYS 72 HB2 CYS 72 -6.715 -4.885 6.464 475 HB3 CYS 72 HB1 CYS 72 -7.314 -3.941 7.823 476 H THR 73 HN THR 73 -3.920 -3.080 8.619 477 HA THR 73 HA THR 73 -4.639 -2.861 11.469 478 HB THR 73 HB THR 73 -2.396 -2.054 11.898 479 HG1 THR 73 HG1 THR 73 -1.115 -1.416 10.359 480 HG21 THR 73 HG21 THR 73 -1.584 -4.106 12.036 481 HG22 THR 73 HG22 THR 73 -1.443 -4.226 10.282 482 HG23 THR 73 HG23 THR 73 -2.958 -4.656 11.076 483 H GLY 74 HN GLY 74 -4.656 -1.246 8.471 484 HA2 GLY 74 HA2 GLY 74 -5.577 0.805 7.943 485 HA3 GLY 74 HA1 GLY 74 -5.860 1.074 9.656 486 H LYS 75 HN LYS 75 -2.671 0.237 9.301 487 HA LYS 75 HA LYS 75 -1.847 3.050 9.018 488 HB2 LYS 75 HB2 LYS 75 -0.372 1.073 10.738 489 HB3 LYS 75 HB1 LYS 75 -0.280 2.828 10.759 490 HG2 LYS 75 HG2 LYS 75 -1.802 2.908 12.360 491 HG3 LYS 75 HG1 LYS 75 -2.961 2.068 11.329 492 HD2 LYS 75 HD2 LYS 75 -2.872 0.490 12.934 493 HD3 LYS 75 HD1 LYS 75 -1.390 0.005 12.109 494 HE2 LYS 75 HE2 LYS 75 -1.673 1.717 14.566 495 HE3 LYS 75 HE1 LYS 75 -0.866 0.157 14.416 496 HZ1 LYS 75 HZ1 LYS 75 0.551 1.501 12.678 497 HZ2 LYS 75 HZ2 LYS 75 0.919 1.536 14.329 498 HZ3 LYS 75 HZ3 LYS 75 0.063 2.815 13.627 499 H SER 76 HN SER 76 -1.874 0.391 7.318 500 HA SER 76 HA SER 76 0.383 1.048 5.753 501 HB2 SER 76 HB2 SER 76 1.337 -0.208 7.842 502 HB3 SER 76 HB1 SER 76 0.727 -1.647 7.025 503 HG SER 76 HG SER 76 2.912 -1.159 6.479 504 H SER 77 HN SER 77 0.727 -0.541 3.972 505 HA SER 77 HA SER 77 -1.851 -1.509 3.047 506 HB2 SER 77 HB2 SER 77 -0.969 -1.434 0.911 507 HB3 SER 77 HB1 SER 77 0.034 -0.220 1.703 508 HG SER 77 HG SER 77 0.703 -2.727 0.747 509 H ASP 78 HN ASP 78 0.092 -2.863 5.123 510 HA ASP 78 HA ASP 78 0.166 -5.505 3.838 511 HB2 ASP 78 HB2 ASP 78 1.789 -4.239 6.014 512 HB3 ASP 78 HB1 ASP 78 1.639 -5.992 5.953 513 H CYS 79 HN CYS 79 -0.903 -7.209 4.671 514 HA CYS 79 HA CYS 79 -2.601 -6.715 7.034 515 HB2 CYS 79 HB2 CYS 79 -3.088 -8.291 4.512 516 HB3 CYS 79 HB1 CYS 79 -4.028 -8.583 5.972 517 HA PRO 80 HA PRO 80 0.260 -9.980 8.483 518 HB2 PRO 80 HB2 PRO 80 -0.316 -9.621 11.125 519 HB3 PRO 80 HB1 PRO 80 0.854 -8.633 10.244 520 HG2 PRO 80 HG2 PRO 80 -2.003 -8.037 10.914 521 HG3 PRO 80 HG1 PRO 80 -0.584 -6.978 11.024 522 HD2 PRO 80 HD2 PRO 80 -2.314 -6.827 8.969 523 HD3 PRO 80 HD1 PRO 80 -0.574 -6.546 8.751 524 H TRP 81 HN TRP 81 -0.286 -12.056 8.520 525 HA TRP 81 HA TRP 81 -3.019 -12.823 9.155 526 HB2 TRP 81 HB2 TRP 81 -2.446 -14.992 8.151 527 HB3 TRP 81 HB1 TRP 81 -2.184 -13.642 7.059 528 HD1 TRP 81 HD1 TRP 81 0.779 -13.361 9.033 529 HE1 TRP 81 HE1 TRP 81 2.738 -14.694 8.032 530 HE3 TRP 81 HE3 TRP 81 -1.845 -16.374 5.912 531 HZ2 TRP 81 HZ2 TRP 81 3.105 -16.770 6.143 532 HZ3 TRP 81 HZ3 TRP 81 -0.638 -18.023 4.528 533 HH2 TRP 81 HH2 TRP 81 1.796 -18.215 4.649 534 H ASN 82 HN ASN 82 -0.011 -12.851 10.601 535 HA ASN 82 HA ASN 82 0.795 -13.646 12.572 536 HB2 ASN 82 HB2 ASN 82 -2.164 -13.845 12.958 537 HB3 ASN 82 HB1 ASN 82 -1.098 -14.572 14.155 538 HD21 ASN 82 HD21 ASN 82 -2.915 -12.065 13.872 539 HD22 ASN 82 HD22 ASN 82 -1.955 -10.823 14.593 540 H HIS 83 HN HIS 83 1.073 -15.347 10.452 541 HA HIS 83 HA HIS 83 0.842 -17.960 11.769 542 HB2 HIS 83 HB2 HIS 83 0.379 -17.588 8.809 543 HB3 HIS 83 HB1 HIS 83 0.135 -19.048 9.762 544 HD1 HIS 83 HD1 HIS 83 -1.933 -17.078 8.027 545 HD2 HIS 83 HD2 HIS 83 -1.783 -17.838 12.106 546 HE1 HIS 83 HE1 HIS 83 -4.230 -16.545 8.893 547 HE2 HIS 83 HE2 HIS 83 -4.147 -17.136 11.339 Start of MODEL 12 1 H1 SER 1 HT1 SER 1 12.283 -6.404 -8.469 2 H2 SER 1 HT2 SER 1 13.094 -5.200 -7.552 3 H3 SER 1 HT3 SER 1 13.904 -5.989 -8.843 4 HA SER 1 HA SER 1 12.519 -5.005 -10.430 5 HB2 SER 1 HB2 SER 1 10.977 -4.204 -7.978 6 HB3 SER 1 HB1 SER 1 10.830 -3.260 -9.459 7 HG SER 1 HG SER 1 9.626 -4.775 -10.261 8 HA PRO 2 HA PRO 2 15.330 -1.602 -10.322 9 HB2 PRO 2 HB2 PRO 2 14.203 0.055 -12.164 10 HB3 PRO 2 HB1 PRO 2 15.080 -1.418 -12.593 11 HG2 PRO 2 HG2 PRO 2 12.129 -0.968 -12.365 12 HG3 PRO 2 HG1 PRO 2 13.033 -1.851 -13.610 13 HD2 PRO 2 HD2 PRO 2 11.743 -3.113 -11.603 14 HD3 PRO 2 HD1 PRO 2 13.259 -3.732 -12.289 15 HA PRO 3 HA PRO 3 12.947 1.100 -7.545 16 HB2 PRO 3 HB2 PRO 3 15.350 1.538 -6.048 17 HB3 PRO 3 HB1 PRO 3 13.959 0.551 -5.599 18 HG2 PRO 3 HG2 PRO 3 16.471 -0.442 -6.158 19 HG3 PRO 3 HG1 PRO 3 14.970 -1.379 -6.256 20 HD2 PRO 3 HD2 PRO 3 16.531 -0.060 -8.443 21 HD3 PRO 3 HD1 PRO 3 15.706 -1.635 -8.437 22 H VAL 4 HN VAL 4 12.753 2.745 -9.141 23 HA VAL 4 HA VAL 4 14.927 4.738 -9.068 24 HB VAL 4 HB VAL 4 13.764 5.492 -11.302 25 HG11 VAL 4 HG11 VAL 4 16.057 4.916 -11.262 26 HG12 VAL 4 HG12 VAL 4 15.328 3.950 -12.545 27 HG13 VAL 4 HG13 VAL 4 15.698 3.211 -10.987 28 HG21 VAL 4 HG21 VAL 4 12.934 3.626 -12.627 29 HG22 VAL 4 HG22 VAL 4 11.953 3.838 -11.177 30 HG23 VAL 4 HG23 VAL 4 13.144 2.539 -11.255 31 H CYS 5 HN CYS 5 14.347 6.326 -7.767 32 HA CYS 5 HA CYS 5 11.570 7.038 -7.382 33 HB2 CYS 5 HB2 CYS 5 13.999 7.382 -5.932 34 HB3 CYS 5 HB1 CYS 5 13.391 8.993 -6.293 35 H GLY 6 HN GLY 6 10.603 8.180 -8.938 36 HA2 GLY 6 HA2 GLY 6 10.307 10.332 -9.995 37 HA3 GLY 6 HA1 GLY 6 12.063 10.462 -10.096 38 H ASN 7 HN ASN 7 10.431 7.500 -10.752 39 HA ASN 7 HA ASN 7 10.843 7.820 -13.646 40 HB2 ASN 7 HB2 ASN 7 11.851 5.746 -11.766 41 HB3 ASN 7 HB1 ASN 7 11.228 5.164 -13.309 42 HD21 ASN 7 HD21 ASN 7 13.368 7.669 -12.001 43 HD22 ASN 7 HD22 ASN 7 14.550 7.557 -13.256 44 H LYS 8 HN LYS 8 8.619 7.708 -11.405 45 HA LYS 8 HA LYS 8 6.413 7.233 -11.395 46 HB2 LYS 8 HB2 LYS 8 6.817 7.485 -14.007 47 HB3 LYS 8 HB1 LYS 8 6.524 5.752 -13.985 48 HG2 LYS 8 HG2 LYS 8 4.368 6.193 -12.828 49 HG3 LYS 8 HG1 LYS 8 4.659 7.920 -13.049 50 HD2 LYS 8 HD2 LYS 8 4.633 5.969 -15.340 51 HD3 LYS 8 HD1 LYS 8 3.178 6.791 -14.773 52 HE2 LYS 8 HE2 LYS 8 3.963 8.886 -15.413 53 HE3 LYS 8 HE1 LYS 8 5.641 8.347 -15.462 54 HZ1 LYS 8 HZ1 LYS 8 5.041 8.507 -17.681 55 HZ2 LYS 8 HZ2 LYS 8 3.494 7.871 -17.430 56 HZ3 LYS 8 HZ3 LYS 8 4.846 6.856 -17.365 57 H ILE 9 HN ILE 9 8.735 5.325 -10.768 58 HA ILE 9 HA ILE 9 7.190 2.829 -10.721 59 HB ILE 9 HB ILE 9 9.837 3.285 -11.504 60 HG12 ILE 9 HG12 ILE 9 8.728 0.613 -10.679 61 HG13 ILE 9 HG11 ILE 9 8.164 1.458 -12.118 62 HG21 ILE 9 HG21 ILE 9 11.188 1.950 -9.985 63 HG22 ILE 9 HG22 ILE 9 9.821 1.813 -8.883 64 HG23 ILE 9 HG23 ILE 9 10.555 3.388 -9.184 65 HD11 ILE 9 HD11 ILE 9 9.927 -0.295 -12.478 66 HD12 ILE 9 HD12 ILE 9 11.050 0.781 -11.646 67 HD13 ILE 9 HD13 ILE 9 10.282 1.297 -13.148 68 H LEU 10 HN LEU 10 6.465 2.093 -8.837 69 HA LEU 10 HA LEU 10 7.234 3.494 -6.400 70 HB2 LEU 10 HB2 LEU 10 5.477 1.825 -5.427 71 HB3 LEU 10 HB1 LEU 10 4.942 3.211 -6.356 72 HG LEU 10 HG LEU 10 5.386 0.716 -7.885 73 HD11 LEU 10 HD11 LEU 10 3.030 1.045 -6.034 74 HD12 LEU 10 HD12 LEU 10 4.332 -0.129 -5.840 75 HD13 LEU 10 HD13 LEU 10 3.250 -0.234 -7.229 76 HD21 LEU 10 HD21 LEU 10 3.020 1.613 -8.659 77 HD22 LEU 10 HD22 LEU 10 4.522 2.335 -9.237 78 HD23 LEU 10 HD23 LEU 10 3.620 3.103 -7.930 79 H GLU 11 HN GLU 11 9.418 2.412 -7.108 80 HA GLU 11 HA GLU 11 9.622 -0.129 -5.623 81 HB2 GLU 11 HB2 GLU 11 9.908 -0.525 -8.021 82 HB3 GLU 11 HB1 GLU 11 11.180 0.687 -8.081 83 HG2 GLU 11 HG2 GLU 11 12.074 -1.582 -8.061 84 HG3 GLU 11 HG1 GLU 11 12.579 -0.663 -6.644 85 H GLN 12 HN GLN 12 11.347 2.808 -6.677 86 HA GLN 12 HA GLN 12 13.571 2.398 -4.946 87 HB2 GLN 12 HB2 GLN 12 13.114 4.086 -6.968 88 HB3 GLN 12 HB1 GLN 12 12.790 5.176 -5.630 89 HG2 GLN 12 HG2 GLN 12 15.275 3.557 -5.549 90 HG3 GLN 12 HG1 GLN 12 15.198 4.916 -6.669 91 HE21 GLN 12 HE21 GLN 12 17.039 4.951 -4.696 92 HE22 GLN 12 HE22 GLN 12 16.622 6.124 -3.498 93 H GLY 13 HN GLY 13 12.012 1.715 -3.122 94 HA2 GLY 13 HA2 GLY 13 10.896 2.150 -1.138 95 HA3 GLY 13 HA1 GLY 13 12.321 3.139 -0.881 96 H GLU 14 HN GLU 14 9.761 3.787 -3.220 97 HA GLU 14 HA GLU 14 9.291 6.329 -1.859 98 HB2 GLU 14 HB2 GLU 14 8.158 7.027 -3.947 99 HB3 GLU 14 HB1 GLU 14 9.829 6.557 -4.191 100 HG2 GLU 14 HG2 GLU 14 7.534 4.698 -4.709 101 HG3 GLU 14 HG1 GLU 14 8.174 5.794 -5.924 102 H ASP 15 HN ASP 15 7.451 3.623 -3.233 103 HA ASP 15 HA ASP 15 5.439 2.725 -2.647 104 HB2 ASP 15 HB2 ASP 15 5.306 4.677 -0.349 105 HB3 ASP 15 HB1 ASP 15 4.497 3.120 -0.495 106 H CYS 16 HN CYS 16 5.938 5.529 -3.990 107 HA CYS 16 HA CYS 16 3.580 5.937 -5.225 108 HB2 CYS 16 HB2 CYS 16 3.413 6.916 -2.479 109 HB3 CYS 16 HB1 CYS 16 3.031 8.150 -3.673 110 H ASP 17 HN ASP 17 5.200 6.446 -6.738 111 HA ASP 17 HA ASP 17 6.035 9.254 -6.596 112 HB2 ASP 17 HB2 ASP 17 7.992 7.956 -5.951 113 HB3 ASP 17 HB1 ASP 17 7.819 6.942 -7.380 114 H CYS 18 HN CYS 18 6.634 10.150 -8.673 115 HA CYS 18 HA CYS 18 5.300 8.819 -10.935 116 HB2 CYS 18 HB2 CYS 18 5.306 11.751 -10.201 117 HB3 CYS 18 HB1 CYS 18 4.753 11.129 -11.749 118 H GLY 19 HN GLY 19 6.249 9.133 -12.995 119 HA2 GLY 19 HA2 GLY 19 9.012 9.102 -13.138 120 HA3 GLY 19 HA1 GLY 19 7.960 9.485 -14.493 121 H SER 20 HN SER 20 6.837 11.853 -13.701 122 HA SER 20 HA SER 20 9.069 13.653 -13.108 123 HB2 SER 20 HB2 SER 20 7.467 13.559 -15.625 124 HB3 SER 20 HB1 SER 20 7.939 15.140 -15.000 125 HG SER 20 HG SER 20 9.874 14.772 -15.702 126 HA PRO 21 HA PRO 21 6.097 15.296 -10.199 127 HB2 PRO 21 HB2 PRO 21 7.650 17.780 -10.802 128 HB3 PRO 21 HB1 PRO 21 7.162 17.111 -9.241 129 HG2 PRO 21 HG2 PRO 21 9.663 16.840 -10.114 130 HG3 PRO 21 HG1 PRO 21 8.853 15.528 -9.239 131 HD2 PRO 21 HD2 PRO 21 9.488 15.765 -12.132 132 HD3 PRO 21 HD1 PRO 21 9.360 14.316 -11.115 133 H ALA 22 HN ALA 22 6.808 16.739 -13.320 134 HA ALA 22 HA ALA 22 4.456 18.428 -13.268 135 HB1 ALA 22 HB1 ALA 22 6.678 17.964 -15.213 136 HB2 ALA 22 HB2 ALA 22 6.165 19.459 -14.431 137 HB3 ALA 22 HB3 ALA 22 5.199 18.771 -15.737 138 H ASN 23 HN ASN 23 5.413 15.317 -14.494 139 HA ASN 23 HA ASN 23 2.835 15.049 -15.880 140 HB2 ASN 23 HB2 ASN 23 5.154 14.597 -17.023 141 HB3 ASN 23 HB1 ASN 23 5.057 13.060 -16.169 142 HD21 ASN 23 HD21 ASN 23 4.897 13.869 -19.062 143 HD22 ASN 23 HD22 ASN 23 3.465 13.097 -19.643 144 H CYS 24 HN CYS 24 3.472 14.783 -12.947 145 HA CYS 24 HA CYS 24 3.323 12.069 -12.221 146 HB2 CYS 24 HB2 CYS 24 4.089 13.858 -10.699 147 HB3 CYS 24 HB1 CYS 24 2.448 14.492 -10.643 148 H GLN 25 HN GLN 25 1.715 11.169 -13.516 149 HA GLN 25 HA GLN 25 -1.018 12.085 -13.262 150 HB2 GLN 25 HB2 GLN 25 -1.555 10.280 -14.818 151 HB3 GLN 25 HB1 GLN 25 -0.205 11.237 -15.414 152 HG2 GLN 25 HG2 GLN 25 1.300 9.545 -15.141 153 HG3 GLN 25 HG1 GLN 25 0.392 8.801 -13.826 154 HE21 GLN 25 HE21 GLN 25 0.082 6.785 -14.519 155 HE22 GLN 25 HE22 GLN 25 -0.679 6.350 -16.008 156 H ASP 26 HN ASP 26 -0.119 11.456 -10.772 157 HA ASP 26 HA ASP 26 -1.771 9.136 -10.116 158 HB2 ASP 26 HB2 ASP 26 0.969 9.603 -8.917 159 HB3 ASP 26 HB1 ASP 26 -0.130 8.280 -8.537 160 H ARG 27 HN ARG 27 -3.370 10.389 -9.259 161 HA ARG 27 HA ARG 27 -2.978 12.640 -7.622 162 HB2 ARG 27 HB2 ARG 27 -5.071 12.063 -8.859 163 HB3 ARG 27 HB1 ARG 27 -5.382 10.816 -7.659 164 HG2 ARG 27 HG2 ARG 27 -5.046 12.919 -6.033 165 HG3 ARG 27 HG1 ARG 27 -5.658 13.744 -7.467 166 HD2 ARG 27 HD2 ARG 27 -7.040 11.292 -6.471 167 HD3 ARG 27 HD1 ARG 27 -7.310 12.833 -5.657 168 HE ARG 27 HE ARG 27 -7.675 13.321 -8.344 169 HH11 ARG 27 HH11 ARG 27 -9.117 11.258 -5.927 170 HH12 ARG 27 HH12 ARG 27 -10.677 11.257 -6.678 171 HH21 ARG 27 HH21 ARG 27 -9.727 13.321 -9.334 172 HH22 ARG 27 HH22 ARG 27 -11.023 12.427 -8.613 173 H CYS 28 HN CYS 28 -2.728 9.290 -6.933 174 HA CYS 28 HA CYS 28 -2.951 9.793 -4.049 175 HB2 CYS 28 HB2 CYS 28 -3.093 7.269 -5.686 176 HB3 CYS 28 HB1 CYS 28 -2.877 7.233 -3.939 177 H CYS 29 HN CYS 29 -0.620 9.769 -6.375 178 HA CYS 29 HA CYS 29 1.455 9.137 -4.402 179 HB2 CYS 29 HB2 CYS 29 1.445 8.145 -7.260 180 HB3 CYS 29 HB1 CYS 29 2.783 7.977 -6.134 181 H ASN 30 HN ASN 30 2.998 10.663 -4.306 182 HA ASN 30 HA ASN 30 3.109 12.628 -6.499 183 HB2 ASN 30 HB2 ASN 30 2.319 13.572 -4.378 184 HB3 ASN 30 HB1 ASN 30 3.781 13.012 -3.576 185 HD21 ASN 30 HD21 ASN 30 5.046 14.662 -3.156 186 HD22 ASN 30 HD22 ASN 30 5.383 15.985 -4.213 187 H ALA 31 HN ALA 31 4.947 12.964 -7.548 188 HA ALA 31 HA ALA 31 7.193 11.249 -7.127 189 HB1 ALA 31 HB1 ALA 31 8.115 13.033 -8.916 190 HB2 ALA 31 HB2 ALA 31 6.381 13.287 -9.103 191 HB3 ALA 31 HB3 ALA 31 7.068 11.685 -9.347 192 H ALA 32 HN ALA 32 6.560 14.686 -6.660 193 HA ALA 32 HA ALA 32 9.116 15.551 -5.999 194 HB1 ALA 32 HB1 ALA 32 7.118 16.905 -4.421 195 HB2 ALA 32 HB2 ALA 32 6.565 16.658 -6.078 196 HB3 ALA 32 HB3 ALA 32 8.083 17.503 -5.772 197 H THR 33 HN THR 33 7.098 13.436 -4.239 198 HA THR 33 HA THR 33 8.752 13.843 -1.835 199 HB THR 33 HB THR 33 6.333 14.486 -1.577 200 HG1 THR 33 HG1 THR 33 7.274 12.303 -0.035 201 HG21 THR 33 HG21 THR 33 4.595 13.013 -1.708 202 HG22 THR 33 HG22 THR 33 5.623 11.601 -1.460 203 HG23 THR 33 HG23 THR 33 5.609 12.418 -3.022 204 H CYS 34 HN CYS 34 7.587 11.666 -4.226 205 HA CYS 34 HA CYS 34 7.972 9.468 -4.628 206 HB2 CYS 34 HB2 CYS 34 10.213 10.208 -2.814 207 HB3 CYS 34 HB1 CYS 34 9.882 8.489 -2.994 208 H LYS 35 HN LYS 35 5.944 10.278 -2.877 209 HA LYS 35 HA LYS 35 5.459 7.805 -1.472 210 HB2 LYS 35 HB2 LYS 35 5.533 10.378 0.114 211 HB3 LYS 35 HB1 LYS 35 5.104 8.786 0.724 212 HG2 LYS 35 HG2 LYS 35 7.423 8.040 0.150 213 HG3 LYS 35 HG1 LYS 35 7.803 9.726 -0.205 214 HD2 LYS 35 HD2 LYS 35 7.956 10.260 1.965 215 HD3 LYS 35 HD1 LYS 35 6.494 9.361 2.377 216 HE2 LYS 35 HE2 LYS 35 8.185 8.251 3.541 217 HE3 LYS 35 HE1 LYS 35 7.941 7.263 2.101 218 HZ1 LYS 35 HZ1 LYS 35 10.219 8.924 2.852 219 HZ2 LYS 35 HZ2 LYS 35 9.829 8.861 1.208 220 HZ3 LYS 35 HZ3 LYS 35 10.183 7.436 2.047 221 H LEU 36 HN LEU 36 3.277 7.999 -0.251 222 HA LEU 36 HA LEU 36 1.288 8.610 -2.105 223 HB2 LEU 36 HB2 LEU 36 1.105 8.296 0.890 224 HB3 LEU 36 HB1 LEU 36 -0.283 8.371 -0.177 225 HG LEU 36 HG LEU 36 1.694 6.322 -0.910 226 HD11 LEU 36 HD11 LEU 36 0.896 4.772 0.866 227 HD12 LEU 36 HD12 LEU 36 0.177 6.157 1.687 228 HD13 LEU 36 HD13 LEU 36 1.924 6.076 1.458 229 HD21 LEU 36 HD21 LEU 36 -1.256 6.063 -0.392 230 HD22 LEU 36 HD22 LEU 36 -0.231 5.053 -1.411 231 HD23 LEU 36 HD23 LEU 36 -0.603 6.706 -1.899 232 H THR 37 HN THR 37 -0.333 10.229 -2.130 233 HA THR 37 HA THR 37 0.626 12.813 -1.133 234 HB THR 37 HB THR 37 -0.605 13.843 -2.848 235 HG1 THR 37 HG1 THR 37 -2.588 12.972 -2.729 236 HG21 THR 37 HG21 THR 37 0.409 13.083 -4.682 237 HG22 THR 37 HG22 THR 37 -0.243 11.456 -4.493 238 HG23 THR 37 HG23 THR 37 1.186 11.945 -3.582 239 HA PRO 38 HA PRO 38 -2.497 13.575 1.870 240 HB2 PRO 38 HB2 PRO 38 -3.560 15.801 0.199 241 HB3 PRO 38 HB1 PRO 38 -3.046 15.809 1.890 242 HG2 PRO 38 HG2 PRO 38 -1.505 16.878 0.003 243 HG3 PRO 38 HG1 PRO 38 -0.795 15.958 1.343 244 HD2 PRO 38 HD2 PRO 38 -1.219 15.150 -1.501 245 HD3 PRO 38 HD1 PRO 38 0.119 14.757 -0.402 246 H GLY 39 HN GLY 39 -4.162 12.220 2.083 247 HA2 GLY 39 HA2 GLY 39 -6.550 11.917 1.765 248 HA3 GLY 39 HA1 GLY 39 -6.322 12.346 0.076 249 H SER 40 HN SER 40 -3.860 10.677 -0.064 250 HA SER 40 HA SER 40 -5.206 8.070 -0.275 251 HB2 SER 40 HB2 SER 40 -3.862 7.565 -2.140 252 HB3 SER 40 HB1 SER 40 -4.274 9.265 -2.366 253 HG SER 40 HG SER 40 -1.846 8.177 -1.395 254 H GLN 41 HN GLN 41 -4.515 6.453 0.965 255 HA GLN 41 HA GLN 41 -1.925 6.768 2.333 256 HB2 GLN 41 HB2 GLN 41 -4.557 5.665 3.226 257 HB3 GLN 41 HB1 GLN 41 -3.080 5.037 3.944 258 HG2 GLN 41 HG2 GLN 41 -2.619 7.673 4.176 259 HG3 GLN 41 HG1 GLN 41 -4.380 7.658 4.264 260 HE21 GLN 41 HE21 GLN 41 -5.119 5.646 5.681 261 HE22 GLN 41 HE22 GLN 41 -4.377 5.593 7.240 262 H CYS 42 HN CYS 42 -3.906 4.678 0.388 263 HA CYS 42 HA CYS 42 -1.663 2.786 0.212 264 HB2 CYS 42 HB2 CYS 42 -3.899 2.169 1.622 265 HB3 CYS 42 HB1 CYS 42 -4.320 1.563 0.025 266 H ASN 43 HN ASN 43 -1.007 3.259 -1.813 267 HA ASN 43 HA ASN 43 -3.023 3.238 -3.954 268 HB2 ASN 43 HB2 ASN 43 -1.571 5.259 -3.781 269 HB3 ASN 43 HB1 ASN 43 -0.170 4.235 -4.084 270 HD21 ASN 43 HD21 ASN 43 0.228 3.490 -6.124 271 HD22 ASN 43 HD22 ASN 43 -0.639 4.034 -7.517 272 H TYR 44 HN TYR 44 -1.139 1.107 -2.447 273 HA TYR 44 HA TYR 44 -1.244 -0.840 -4.442 274 HB2 TYR 44 HB2 TYR 44 0.640 -0.643 -5.643 275 HB3 TYR 44 HB1 TYR 44 0.868 0.935 -4.902 276 HD1 TYR 44 HD1 TYR 44 1.549 -2.674 -4.238 277 HD2 TYR 44 HD2 TYR 44 2.845 1.350 -3.779 278 HE1 TYR 44 HE1 TYR 44 3.627 -3.471 -3.213 279 HE2 TYR 44 HE2 TYR 44 4.936 0.567 -2.754 280 HH TYR 44 HH TYR 44 6.327 -1.492 -2.745 281 H GLY 45 HN GLY 45 -1.475 -2.606 -3.269 282 HA2 GLY 45 HA2 GLY 45 0.094 -4.005 -1.697 283 HA3 GLY 45 HA1 GLY 45 -0.316 -2.707 -0.585 284 H GLU 46 HN GLU 46 -0.926 -5.277 0.089 285 HA GLU 46 HA GLU 46 -3.415 -6.259 -0.695 286 HB2 GLU 46 HB2 GLU 46 -1.472 -6.774 1.378 287 HB3 GLU 46 HB1 GLU 46 -3.105 -6.936 2.007 288 HG2 GLU 46 HG2 GLU 46 -1.871 -8.421 -0.296 289 HG3 GLU 46 HG1 GLU 46 -2.406 -9.073 1.252 290 H CYS 47 HN CYS 47 -2.602 -4.107 2.007 291 HA CYS 47 HA CYS 47 -5.252 -3.966 3.001 292 HB2 CYS 47 HB2 CYS 47 -2.679 -2.607 3.544 293 HB3 CYS 47 HB1 CYS 47 -4.140 -1.777 4.067 294 H CYS 48 HN CYS 48 -3.803 -2.409 0.316 295 HA CYS 48 HA CYS 48 -5.207 0.036 0.440 296 HB2 CYS 48 HB2 CYS 48 -4.304 -1.240 -2.125 297 HB3 CYS 48 HB1 CYS 48 -4.398 0.472 -1.714 298 H ASP 49 HN ASP 49 -7.011 0.766 -0.492 299 HA ASP 49 HA ASP 49 -8.677 -0.697 -2.247 300 HB2 ASP 49 HB2 ASP 49 -8.934 -1.727 0.209 301 HB3 ASP 49 HB1 ASP 49 -10.035 -0.364 0.387 302 H GLN 50 HN GLN 50 -9.272 1.003 -3.442 303 HA GLN 50 HA GLN 50 -10.193 2.997 -4.049 304 HB2 GLN 50 HB2 GLN 50 -11.172 3.276 -1.208 305 HB3 GLN 50 HB1 GLN 50 -11.839 4.023 -2.653 306 HG2 GLN 50 HG2 GLN 50 -12.189 1.531 -3.393 307 HG3 GLN 50 HG1 GLN 50 -12.112 1.235 -1.656 308 HE21 GLN 50 HE21 GLN 50 -13.451 3.013 -0.421 309 HE22 GLN 50 HE22 GLN 50 -15.066 3.207 -1.003 310 H CYS 51 HN CYS 51 -7.510 2.779 -2.976 311 HA CYS 51 HA CYS 51 -5.743 4.129 -2.544 312 HB2 CYS 51 HB2 CYS 51 -7.821 6.016 -3.416 313 HB3 CYS 51 HB1 CYS 51 -6.560 6.734 -2.419 314 H ARG 52 HN ARG 52 -7.549 3.108 -0.422 315 HA ARG 52 HA ARG 52 -6.493 4.773 1.741 316 HB2 ARG 52 HB2 ARG 52 -9.379 3.882 1.556 317 HB3 ARG 52 HB1 ARG 52 -8.643 4.641 2.961 318 HG2 ARG 52 HG2 ARG 52 -8.113 6.325 0.770 319 HG3 ARG 52 HG1 ARG 52 -9.809 5.854 0.653 320 HD2 ARG 52 HD2 ARG 52 -9.330 7.934 2.001 321 HD3 ARG 52 HD1 ARG 52 -10.290 6.695 2.809 322 HE ARG 52 HE ARG 52 -7.489 6.456 3.347 323 HH11 ARG 52 HH11 ARG 52 -10.415 8.117 4.272 324 HH12 ARG 52 HH12 ARG 52 -9.863 8.457 5.878 325 HH21 ARG 52 HH21 ARG 52 -6.761 6.902 5.459 326 HH22 ARG 52 HH22 ARG 52 -7.789 7.768 6.552 327 H PHE 53 HN PHE 53 -6.011 3.626 3.635 328 HA PHE 53 HA PHE 53 -5.394 0.908 3.313 329 HB2 PHE 53 HB2 PHE 53 -5.559 2.623 5.790 330 HB3 PHE 53 HB1 PHE 53 -5.065 0.931 5.839 331 HD1 PHE 53 HD2 PHE 53 -3.569 0.959 3.189 332 HD2 PHE 53 HD1 PHE 53 -3.517 3.576 6.540 333 HE1 PHE 53 HE2 PHE 53 -1.279 1.595 2.641 334 HE2 PHE 53 HE1 PHE 53 -1.206 4.223 5.997 335 HZ PHE 53 HZ PHE 53 -0.078 3.232 4.044 336 H LYS 54 HN LYS 54 -6.329 -0.945 3.945 337 HA LYS 54 HA LYS 54 -9.160 -0.988 4.122 338 HB2 LYS 54 HB2 LYS 54 -6.990 -2.937 3.986 339 HB3 LYS 54 HB1 LYS 54 -8.318 -3.475 5.005 340 HG2 LYS 54 HG2 LYS 54 -9.745 -3.693 3.270 341 HG3 LYS 54 HG1 LYS 54 -9.062 -2.320 2.396 342 HD2 LYS 54 HD2 LYS 54 -7.044 -3.776 1.946 343 HD3 LYS 54 HD1 LYS 54 -7.993 -5.129 2.563 344 HE2 LYS 54 HE2 LYS 54 -9.743 -4.075 0.804 345 HE3 LYS 54 HE1 LYS 54 -8.221 -3.648 0.023 346 HZ1 LYS 54 HZ1 LYS 54 -8.518 -6.388 0.994 347 HZ2 LYS 54 HZ2 LYS 54 -7.711 -5.808 -0.375 348 HZ3 LYS 54 HZ3 LYS 54 -9.396 -5.954 -0.386 349 H LYS 55 HN LYS 55 -10.038 -0.011 5.856 350 HA LYS 55 HA LYS 55 -9.302 0.498 8.327 351 HB2 LYS 55 HB2 LYS 55 -11.596 0.847 7.458 352 HB3 LYS 55 HB1 LYS 55 -11.943 -0.852 7.748 353 HG2 LYS 55 HG2 LYS 55 -12.865 0.333 9.561 354 HG3 LYS 55 HG1 LYS 55 -11.395 -0.430 10.171 355 HD2 LYS 55 HD2 LYS 55 -11.003 1.642 10.988 356 HD3 LYS 55 HD1 LYS 55 -10.385 1.926 9.360 357 HE2 LYS 55 HE2 LYS 55 -11.797 3.714 9.575 358 HE3 LYS 55 HE1 LYS 55 -12.896 2.531 8.868 359 HZ1 LYS 55 HZ1 LYS 55 -13.733 2.025 11.065 360 HZ2 LYS 55 HZ2 LYS 55 -13.883 3.682 10.761 361 HZ3 LYS 55 HZ3 LYS 55 -12.649 3.117 11.770 362 H ALA 56 HN ALA 56 -8.511 -0.474 10.077 363 HA ALA 56 HA ALA 56 -7.594 -3.003 10.229 364 HB1 ALA 56 HB1 ALA 56 -8.465 -1.087 12.324 365 HB2 ALA 56 HB2 ALA 56 -6.869 -1.764 12.000 366 HB3 ALA 56 HB3 ALA 56 -8.095 -2.744 12.806 367 H GLY 57 HN GLY 57 -8.408 -4.985 10.355 368 HA2 GLY 57 HA2 GLY 57 -10.028 -6.481 11.476 369 HA3 GLY 57 HA1 GLY 57 -11.247 -5.252 11.161 370 H THR 58 HN THR 58 -9.554 -5.010 8.488 371 HA THR 58 HA THR 58 -11.344 -6.679 6.961 372 HB THR 58 HB THR 58 -9.053 -4.883 6.129 373 HG1 THR 58 HG1 THR 58 -10.840 -3.778 7.003 374 HG21 THR 58 HG21 THR 58 -11.045 -5.336 4.107 375 HG22 THR 58 HG22 THR 58 -10.262 -6.845 4.582 376 HG23 THR 58 HG23 THR 58 -9.290 -5.483 4.019 377 H VAL 59 HN VAL 59 -10.924 -8.805 6.795 378 HA VAL 59 HA VAL 59 -8.343 -9.903 7.223 379 HB VAL 59 HB VAL 59 -10.339 -11.198 7.761 380 HG11 VAL 59 HG11 VAL 59 -12.026 -11.663 6.340 381 HG12 VAL 59 HG12 VAL 59 -10.947 -11.875 4.960 382 HG13 VAL 59 HG13 VAL 59 -11.409 -10.254 5.478 383 HG21 VAL 59 HG21 VAL 59 -9.345 -13.167 7.334 384 HG22 VAL 59 HG22 VAL 59 -8.066 -12.170 6.642 385 HG23 VAL 59 HG23 VAL 59 -9.294 -12.881 5.595 386 H CYS 60 HN CYS 60 -6.707 -10.000 5.847 387 HA CYS 60 HA CYS 60 -7.278 -9.834 2.960 388 HB2 CYS 60 HB2 CYS 60 -4.614 -9.377 4.295 389 HB3 CYS 60 HB1 CYS 60 -5.069 -8.973 2.645 390 H ARG 61 HN ARG 61 -5.898 -11.815 5.434 391 HA ARG 61 HA ARG 61 -5.573 -13.990 3.547 392 HB2 ARG 61 HB2 ARG 61 -3.222 -13.253 5.282 393 HB3 ARG 61 HB1 ARG 61 -3.282 -14.439 3.985 394 HG2 ARG 61 HG2 ARG 61 -3.663 -12.573 2.387 395 HG3 ARG 61 HG1 ARG 61 -3.398 -11.446 3.718 396 HD2 ARG 61 HD2 ARG 61 -1.414 -13.521 2.792 397 HD3 ARG 61 HD1 ARG 61 -1.384 -11.822 2.325 398 HE ARG 61 HE ARG 61 -1.324 -12.377 5.175 399 HH11 ARG 61 HH11 ARG 61 0.505 -11.653 2.289 400 HH12 ARG 61 HH12 ARG 61 1.883 -11.074 3.162 401 HH21 ARG 61 HH21 ARG 61 0.487 -11.622 6.318 402 HH22 ARG 61 HH22 ARG 61 1.874 -11.058 5.448 403 H ILE 62 HN ILE 62 -4.759 -15.999 4.746 404 HA ILE 62 HA ILE 62 -5.334 -16.152 7.563 405 HB ILE 62 HB ILE 62 -7.030 -17.898 5.792 406 HG12 ILE 62 HG12 ILE 62 -8.948 -16.379 6.548 407 HG13 ILE 62 HG11 ILE 62 -7.712 -15.189 6.929 408 HG21 ILE 62 HG21 ILE 62 -7.834 -17.163 8.530 409 HG22 ILE 62 HG22 ILE 62 -6.388 -18.162 8.383 410 HG23 ILE 62 HG23 ILE 62 -7.915 -18.716 7.697 411 HD11 ILE 62 HD11 ILE 62 -7.144 -16.033 4.338 412 HD12 ILE 62 HD12 ILE 62 -7.855 -14.498 4.838 413 HD13 ILE 62 HD13 ILE 62 -8.897 -15.855 4.405 414 H ALA 63 HN ALA 63 -3.976 -17.597 8.386 415 HA ALA 63 HA ALA 63 -2.066 -18.978 7.020 416 HB1 ALA 63 HB1 ALA 63 -2.936 -18.851 9.699 417 HB2 ALA 63 HB2 ALA 63 -1.390 -19.427 9.078 418 HB3 ALA 63 HB3 ALA 63 -2.728 -20.555 9.295 419 H ARG 64 HN ARG 64 -4.797 -20.703 8.518 420 HA ARG 64 HA ARG 64 -5.661 -22.042 6.231 421 HB2 ARG 64 HB2 ARG 64 -3.184 -22.963 6.791 422 HB3 ARG 64 HB1 ARG 64 -4.143 -24.068 7.766 423 HG2 ARG 64 HG2 ARG 64 -3.805 -25.097 5.661 424 HG3 ARG 64 HG1 ARG 64 -5.488 -24.569 5.715 425 HD2 ARG 64 HD2 ARG 64 -4.790 -23.914 3.596 426 HD3 ARG 64 HD1 ARG 64 -4.632 -22.439 4.550 427 HE ARG 64 HE ARG 64 -2.201 -23.885 4.559 428 HH11 ARG 64 HH11 ARG 64 -4.183 -21.882 2.500 429 HH12 ARG 64 HH12 ARG 64 -2.847 -21.311 1.558 430 HH21 ARG 64 HH21 ARG 64 -0.442 -23.135 3.321 431 HH22 ARG 64 HH22 ARG 64 -0.723 -22.022 2.024 432 H GLY 65 HN GLY 65 -7.367 -21.160 7.793 433 HA2 GLY 65 HA2 GLY 65 -9.115 -22.955 8.639 434 HA3 GLY 65 HA1 GLY 65 -7.977 -23.001 9.977 435 H ASP 66 HN ASP 66 -8.336 -21.670 11.611 436 HA ASP 66 HA ASP 66 -9.252 -19.009 11.316 437 HB2 ASP 66 HB2 ASP 66 -11.426 -19.365 12.594 438 HB3 ASP 66 HB1 ASP 66 -11.421 -19.872 10.908 439 H TRP 67 HN TRP 67 -7.342 -18.840 12.585 440 HA TRP 67 HA TRP 67 -7.754 -19.471 15.435 441 HB2 TRP 67 HB2 TRP 67 -5.001 -19.055 15.006 442 HB3 TRP 67 HB1 TRP 67 -5.803 -20.578 15.365 443 HD1 TRP 67 HD1 TRP 67 -4.849 -18.466 12.252 444 HE1 TRP 67 HE1 TRP 67 -4.375 -20.089 10.321 445 HE3 TRP 67 HE3 TRP 67 -6.004 -22.853 14.586 446 HZ2 TRP 67 HZ2 TRP 67 -4.469 -22.865 9.847 447 HZ3 TRP 67 HZ3 TRP 67 -5.784 -24.958 13.325 448 HH2 TRP 67 HH2 TRP 67 -5.031 -24.961 11.001 449 H ASN 68 HN ASN 68 -5.584 -17.431 13.537 450 HA ASN 68 HA ASN 68 -6.286 -15.155 15.267 451 HB2 ASN 68 HB2 ASN 68 -3.787 -15.268 13.600 452 HB3 ASN 68 HB1 ASN 68 -4.108 -14.315 15.044 453 HD21 ASN 68 HD21 ASN 68 -3.584 -17.593 13.874 454 HD22 ASN 68 HD22 ASN 68 -2.915 -18.206 15.345 455 H ASP 69 HN ASP 69 -5.774 -16.256 11.980 456 HA ASP 69 HA ASP 69 -6.443 -15.454 9.963 457 HB2 ASP 69 HB2 ASP 69 -8.356 -14.186 11.856 458 HB3 ASP 69 HB1 ASP 69 -8.301 -13.558 10.212 459 H ASP 70 HN ASP 70 -5.804 -13.918 8.505 460 HA ASP 70 HA ASP 70 -4.035 -11.879 9.507 461 HB2 ASP 70 HB2 ASP 70 -3.644 -13.308 7.414 462 HB3 ASP 70 HB1 ASP 70 -4.834 -12.279 6.634 463 H TYR 71 HN TYR 71 -4.537 -9.806 9.862 464 HA TYR 71 HA TYR 71 -6.884 -8.703 8.489 465 HB2 TYR 71 HB2 TYR 71 -6.394 -8.859 11.434 466 HB3 TYR 71 HB1 TYR 71 -7.361 -7.548 10.760 467 HD1 TYR 71 HD2 TYR 71 -9.324 -8.170 9.307 468 HD2 TYR 71 HD1 TYR 71 -7.351 -10.954 11.820 469 HE1 TYR 71 HE2 TYR 71 -11.301 -9.610 9.221 470 HE2 TYR 71 HE1 TYR 71 -9.306 -12.430 11.739 471 HH TYR 71 HH TYR 71 -12.048 -11.832 11.237 472 H CYS 72 HN CYS 72 -6.868 -6.593 8.016 473 HA CYS 72 HA CYS 72 -4.366 -5.253 7.889 474 HB2 CYS 72 HB2 CYS 72 -6.354 -5.019 6.295 475 HB3 CYS 72 HB1 CYS 72 -7.068 -3.969 7.513 476 H THR 73 HN THR 73 -4.019 -3.031 8.766 477 HA THR 73 HA THR 73 -5.225 -2.754 11.440 478 HB THR 73 HB THR 73 -3.162 -2.179 12.383 479 HG1 THR 73 HG1 THR 73 -1.343 -1.663 11.115 480 HG21 THR 73 HG21 THR 73 -3.331 -4.601 11.210 481 HG22 THR 73 HG22 THR 73 -1.986 -4.076 12.225 482 HG23 THR 73 HG23 THR 73 -1.858 -3.975 10.468 483 H GLY 74 HN GLY 74 -5.493 -1.455 8.576 484 HA2 GLY 74 HA2 GLY 74 -5.953 0.623 7.720 485 HA3 GLY 74 HA1 GLY 74 -6.553 0.969 9.334 486 H LYS 75 HN LYS 75 -3.200 0.176 8.826 487 HA LYS 75 HA LYS 75 -2.487 3.017 9.017 488 HB2 LYS 75 HB2 LYS 75 -1.333 0.815 10.732 489 HB3 LYS 75 HB1 LYS 75 -0.767 2.479 10.699 490 HG2 LYS 75 HG2 LYS 75 -3.441 2.779 11.206 491 HG3 LYS 75 HG1 LYS 75 -3.045 1.299 12.081 492 HD2 LYS 75 HD2 LYS 75 -1.223 2.457 13.225 493 HD3 LYS 75 HD1 LYS 75 -1.595 3.934 12.334 494 HE2 LYS 75 HE2 LYS 75 -3.241 2.548 14.431 495 HE3 LYS 75 HE1 LYS 75 -2.607 4.193 14.446 496 HZ1 LYS 75 HZ1 LYS 75 -4.722 4.639 13.834 497 HZ2 LYS 75 HZ2 LYS 75 -4.974 3.126 13.122 498 HZ3 LYS 75 HZ3 LYS 75 -4.115 4.320 12.287 499 H SER 76 HN SER 76 -2.202 0.355 7.182 500 HA SER 76 HA SER 76 0.050 1.347 5.772 501 HB2 SER 76 HB2 SER 76 0.478 -0.856 7.722 502 HB3 SER 76 HB1 SER 76 1.277 -0.996 6.156 503 HG SER 76 HG SER 76 1.699 0.819 8.220 504 H SER 77 HN SER 77 0.795 -0.304 4.071 505 HA SER 77 HA SER 77 -1.591 -1.367 2.790 506 HB2 SER 77 HB2 SER 77 1.152 -1.536 1.596 507 HB3 SER 77 HB1 SER 77 -0.400 -1.292 0.795 508 HG SER 77 HG SER 77 1.350 0.542 1.761 509 H ASP 78 HN ASP 78 0.137 -2.605 5.112 510 HA ASP 78 HA ASP 78 0.430 -5.258 3.870 511 HB2 ASP 78 HB2 ASP 78 1.960 -5.774 5.763 512 HB3 ASP 78 HB1 ASP 78 2.533 -4.449 4.754 513 H CYS 79 HN CYS 79 -0.521 -7.016 4.767 514 HA CYS 79 HA CYS 79 -2.379 -6.520 7.005 515 HB2 CYS 79 HB2 CYS 79 -2.913 -7.405 4.369 516 HB3 CYS 79 HB1 CYS 79 -3.149 -8.794 5.426 517 HA PRO 80 HA PRO 80 0.450 -9.665 8.702 518 HB2 PRO 80 HB2 PRO 80 -0.196 -9.237 11.293 519 HB3 PRO 80 HB1 PRO 80 0.908 -8.183 10.402 520 HG2 PRO 80 HG2 PRO 80 -2.006 -7.804 10.989 521 HG3 PRO 80 HG1 PRO 80 -0.680 -6.633 11.117 522 HD2 PRO 80 HD2 PRO 80 -2.358 -6.689 8.999 523 HD3 PRO 80 HD1 PRO 80 -0.652 -6.225 8.847 524 H TRP 81 HN TRP 81 0.057 -11.762 9.035 525 HA TRP 81 HA TRP 81 -2.473 -12.932 8.859 526 HB2 TRP 81 HB2 TRP 81 -0.536 -14.518 10.394 527 HB3 TRP 81 HB1 TRP 81 -1.398 -14.919 8.917 528 HD1 TRP 81 HD1 TRP 81 1.873 -13.370 10.156 529 HE1 TRP 81 HE1 TRP 81 3.533 -13.303 8.189 530 HE3 TRP 81 HE3 TRP 81 -1.277 -14.785 6.411 531 HZ2 TRP 81 HZ2 TRP 81 3.499 -13.795 5.416 532 HZ3 TRP 81 HZ3 TRP 81 -0.390 -14.972 4.118 533 HH2 TRP 81 HH2 TRP 81 1.954 -14.483 3.632 534 H ASN 82 HN ASN 82 -0.824 -11.611 11.558 535 HA ASN 82 HA ASN 82 -1.609 -11.124 13.667 536 HB2 ASN 82 HB2 ASN 82 -3.957 -11.443 12.591 537 HB3 ASN 82 HB1 ASN 82 -3.902 -13.045 13.321 538 HD21 ASN 82 HD21 ASN 82 -5.346 -10.327 13.773 539 HD22 ASN 82 HD22 ASN 82 -5.296 -10.157 15.491 540 H HIS 83 HN HIS 83 0.080 -13.340 12.707 541 HA HIS 83 HA HIS 83 -0.336 -15.385 14.757 542 HB2 HIS 83 HB2 HIS 83 1.590 -15.328 12.417 543 HB3 HIS 83 HB1 HIS 83 1.314 -16.695 13.496 544 HD1 HIS 83 HD1 HIS 83 0.814 -16.687 10.363 545 HD2 HIS 83 HD2 HIS 83 -2.082 -16.253 13.309 546 HE1 HIS 83 HE1 HIS 83 -1.353 -17.360 9.282 547 HE2 HIS 83 HE2 HIS 83 -3.073 -17.191 11.113 Start of MODEL 13 1 H1 SER 1 HT1 SER 1 20.068 0.926 -10.471 2 H2 SER 1 HT2 SER 1 19.319 -0.591 -10.192 3 H3 SER 1 HT3 SER 1 18.623 0.842 -9.556 4 HA SER 1 HA SER 1 18.566 1.582 -11.978 5 HB2 SER 1 HB2 SER 1 19.645 -1.019 -12.194 6 HB3 SER 1 HB1 SER 1 18.005 -1.110 -12.837 7 HG SER 1 HG SER 1 20.209 0.041 -13.906 8 HA PRO 2 HA PRO 2 14.417 -0.931 -11.361 9 HB2 PRO 2 HB2 PRO 2 14.883 -2.127 -8.694 10 HB3 PRO 2 HB1 PRO 2 14.116 -2.822 -10.123 11 HG2 PRO 2 HG2 PRO 2 16.565 -3.580 -9.346 12 HG3 PRO 2 HG1 PRO 2 16.124 -3.465 -11.059 13 HD2 PRO 2 HD2 PRO 2 17.756 -1.602 -9.390 14 HD3 PRO 2 HD1 PRO 2 17.960 -2.073 -11.088 15 HA PRO 3 HA PRO 3 13.541 1.447 -7.324 16 HB2 PRO 3 HB2 PRO 3 15.473 1.972 -5.558 17 HB3 PRO 3 HB1 PRO 3 14.715 0.377 -5.632 18 HG2 PRO 3 HG2 PRO 3 17.354 1.276 -6.702 19 HG3 PRO 3 HG1 PRO 3 16.925 -0.251 -5.912 20 HD2 PRO 3 HD2 PRO 3 17.142 0.122 -8.649 21 HD3 PRO 3 HD1 PRO 3 16.247 -1.191 -7.869 22 H VAL 4 HN VAL 4 13.388 3.070 -9.041 23 HA VAL 4 HA VAL 4 15.378 5.221 -8.696 24 HB VAL 4 HB VAL 4 14.349 5.892 -11.067 25 HG11 VAL 4 HG11 VAL 4 16.596 3.965 -10.521 26 HG12 VAL 4 HG12 VAL 4 16.691 5.717 -10.699 27 HG13 VAL 4 HG13 VAL 4 16.309 4.708 -12.094 28 HG21 VAL 4 HG21 VAL 4 13.807 4.087 -12.453 29 HG22 VAL 4 HG22 VAL 4 12.932 3.759 -10.957 30 HG23 VAL 4 HG23 VAL 4 14.433 2.902 -11.307 31 H CYS 5 HN CYS 5 14.551 6.834 -7.562 32 HA CYS 5 HA CYS 5 11.695 7.266 -7.433 33 HB2 CYS 5 HB2 CYS 5 13.971 7.963 -5.834 34 HB3 CYS 5 HB1 CYS 5 13.125 9.445 -6.262 35 H GLY 6 HN GLY 6 10.806 8.138 -9.189 36 HA2 GLY 6 HA2 GLY 6 10.345 10.252 -10.317 37 HA3 GLY 6 HA1 GLY 6 12.083 10.544 -10.325 38 H ASN 7 HN ASN 7 10.733 7.417 -10.950 39 HA ASN 7 HA ASN 7 11.356 7.668 -13.814 40 HB2 ASN 7 HB2 ASN 7 12.286 5.685 -11.793 41 HB3 ASN 7 HB1 ASN 7 11.870 5.064 -13.389 42 HD21 ASN 7 HD21 ASN 7 13.659 4.756 -14.493 43 HD22 ASN 7 HD22 ASN 7 14.994 5.848 -14.596 44 H LYS 8 HN LYS 8 8.984 7.351 -11.664 45 HA LYS 8 HA LYS 8 6.804 6.797 -11.870 46 HB2 LYS 8 HB2 LYS 8 7.324 7.121 -14.405 47 HB3 LYS 8 HB1 LYS 8 7.299 5.364 -14.459 48 HG2 LYS 8 HG2 LYS 8 5.001 5.580 -13.316 49 HG3 LYS 8 HG1 LYS 8 5.069 7.260 -13.850 50 HD2 LYS 8 HD2 LYS 8 5.772 5.968 -16.128 51 HD3 LYS 8 HD1 LYS 8 4.674 4.792 -15.403 52 HE2 LYS 8 HE2 LYS 8 3.094 6.015 -16.444 53 HE3 LYS 8 HE1 LYS 8 3.262 7.058 -15.032 54 HZ1 LYS 8 HZ1 LYS 8 3.487 8.553 -16.730 55 HZ2 LYS 8 HZ2 LYS 8 4.254 7.458 -17.766 56 HZ3 LYS 8 HZ3 LYS 8 5.111 8.148 -16.481 57 H ILE 9 HN ILE 9 9.147 4.982 -11.026 58 HA ILE 9 HA ILE 9 7.587 2.482 -10.952 59 HB ILE 9 HB ILE 9 10.336 2.023 -10.271 60 HG12 ILE 9 HG12 ILE 9 9.903 3.293 -12.982 61 HG13 ILE 9 HG11 ILE 9 10.864 3.955 -11.661 62 HG21 ILE 9 HG21 ILE 9 9.864 0.711 -12.629 63 HG22 ILE 9 HG22 ILE 9 8.246 0.914 -11.958 64 HG23 ILE 9 HG23 ILE 9 9.499 0.108 -11.013 65 HD11 ILE 9 HD11 ILE 9 12.332 1.957 -11.822 66 HD12 ILE 9 HD12 ILE 9 12.342 2.988 -13.254 67 HD13 ILE 9 HD13 ILE 9 11.433 1.476 -13.262 68 H LEU 10 HN LEU 10 6.686 2.289 -8.994 69 HA LEU 10 HA LEU 10 7.742 3.582 -6.678 70 HB2 LEU 10 HB2 LEU 10 6.045 2.031 -5.499 71 HB3 LEU 10 HB1 LEU 10 5.441 3.291 -6.557 72 HG LEU 10 HG LEU 10 5.876 0.746 -7.933 73 HD11 LEU 10 HD11 LEU 10 5.209 -0.332 -5.959 74 HD12 LEU 10 HD12 LEU 10 3.742 -0.205 -6.929 75 HD13 LEU 10 HD13 LEU 10 4.010 0.906 -5.586 76 HD21 LEU 10 HD21 LEU 10 3.524 1.257 -8.658 77 HD22 LEU 10 HD22 LEU 10 4.716 2.500 -9.038 78 HD23 LEU 10 HD23 LEU 10 3.617 2.720 -7.676 79 H GLU 11 HN GLU 11 9.920 2.546 -7.262 80 HA GLU 11 HA GLU 11 10.172 -0.006 -5.818 81 HB2 GLU 11 HB2 GLU 11 10.631 -0.259 -8.216 82 HB3 GLU 11 HB1 GLU 11 11.852 1.001 -8.119 83 HG2 GLU 11 HG2 GLU 11 12.863 -1.203 -8.146 84 HG3 GLU 11 HG1 GLU 11 13.178 -0.381 -6.618 85 H GLN 12 HN GLN 12 11.720 3.095 -6.588 86 HA GLN 12 HA GLN 12 13.879 2.753 -4.762 87 HB2 GLN 12 HB2 GLN 12 13.924 4.352 -6.643 88 HB3 GLN 12 HB1 GLN 12 12.707 5.322 -5.840 89 HG2 GLN 12 HG2 GLN 12 14.248 6.380 -4.664 90 HG3 GLN 12 HG1 GLN 12 14.881 4.855 -4.047 91 HE21 GLN 12 HE21 GLN 12 16.825 4.209 -4.700 92 HE22 GLN 12 HE22 GLN 12 17.748 4.938 -5.966 93 H GLY 13 HN GLY 13 12.049 1.898 -3.158 94 HA2 GLY 13 HA2 GLY 13 10.805 2.197 -1.241 95 HA3 GLY 13 HA1 GLY 13 12.186 3.184 -0.806 96 H GLU 14 HN GLU 14 9.674 3.866 -3.243 97 HA GLU 14 HA GLU 14 9.164 6.377 -1.828 98 HB2 GLU 14 HB2 GLU 14 7.898 6.982 -3.936 99 HB3 GLU 14 HB1 GLU 14 9.634 6.783 -4.101 100 HG2 GLU 14 HG2 GLU 14 8.307 4.292 -4.602 101 HG3 GLU 14 HG1 GLU 14 7.615 5.567 -5.601 102 H ASP 15 HN ASP 15 7.375 3.641 -3.218 103 HA ASP 15 HA ASP 15 5.385 2.697 -2.620 104 HB2 ASP 15 HB2 ASP 15 6.256 3.420 -0.244 105 HB3 ASP 15 HB1 ASP 15 4.995 4.642 -0.375 106 H CYS 16 HN CYS 16 5.848 5.480 -3.992 107 HA CYS 16 HA CYS 16 3.484 5.841 -5.240 108 HB2 CYS 16 HB2 CYS 16 3.328 6.875 -2.516 109 HB3 CYS 16 HB1 CYS 16 2.951 8.094 -3.728 110 H ASP 17 HN ASP 17 5.231 6.247 -6.690 111 HA ASP 17 HA ASP 17 6.116 9.052 -6.612 112 HB2 ASP 17 HB2 ASP 17 8.019 7.682 -6.019 113 HB3 ASP 17 HB1 ASP 17 7.732 6.624 -7.396 114 H CYS 18 HN CYS 18 6.712 9.917 -8.713 115 HA CYS 18 HA CYS 18 5.285 8.640 -10.950 116 HB2 CYS 18 HB2 CYS 18 5.297 11.550 -10.142 117 HB3 CYS 18 HB1 CYS 18 4.780 10.997 -11.727 118 H GLY 19 HN GLY 19 6.212 8.928 -13.014 119 HA2 GLY 19 HA2 GLY 19 8.965 8.900 -13.216 120 HA3 GLY 19 HA1 GLY 19 7.890 9.307 -14.547 121 H SER 20 HN SER 20 6.812 11.668 -13.816 122 HA SER 20 HA SER 20 9.035 13.456 -13.154 123 HB2 SER 20 HB2 SER 20 7.239 14.167 -15.451 124 HB3 SER 20 HB1 SER 20 8.864 14.748 -15.086 125 HG SER 20 HG SER 20 9.036 13.317 -16.770 126 HA PRO 21 HA PRO 21 6.021 15.206 -10.371 127 HB2 PRO 21 HB2 PRO 21 7.512 17.697 -11.090 128 HB3 PRO 21 HB1 PRO 21 7.034 17.094 -9.499 129 HG2 PRO 21 HG2 PRO 21 9.545 16.844 -10.351 130 HG3 PRO 21 HG1 PRO 21 8.766 15.558 -9.412 131 HD2 PRO 21 HD2 PRO 21 9.411 15.660 -12.309 132 HD3 PRO 21 HD1 PRO 21 9.306 14.263 -11.220 133 H ALA 22 HN ALA 22 6.716 16.527 -13.550 134 HA ALA 22 HA ALA 22 4.304 18.133 -13.589 135 HB1 ALA 22 HB1 ALA 22 6.020 17.589 -15.983 136 HB2 ALA 22 HB2 ALA 22 6.554 18.695 -14.717 137 HB3 ALA 22 HB3 ALA 22 5.062 19.020 -15.600 138 H ASN 23 HN ASN 23 5.384 15.011 -14.668 139 HA ASN 23 HA ASN 23 2.854 14.608 -16.109 140 HB2 ASN 23 HB2 ASN 23 5.244 14.168 -17.140 141 HB3 ASN 23 HB1 ASN 23 5.110 12.651 -16.257 142 HD21 ASN 23 HD21 ASN 23 4.979 13.579 -19.189 143 HD22 ASN 23 HD22 ASN 23 3.614 12.720 -19.810 144 H CYS 24 HN CYS 24 3.415 14.483 -13.148 145 HA CYS 24 HA CYS 24 3.296 11.781 -12.332 146 HB2 CYS 24 HB2 CYS 24 4.037 13.610 -10.853 147 HB3 CYS 24 HB1 CYS 24 2.401 14.258 -10.850 148 H GLN 25 HN GLN 25 1.696 10.850 -13.640 149 HA GLN 25 HA GLN 25 -1.040 11.766 -13.426 150 HB2 GLN 25 HB2 GLN 25 -1.551 9.869 -14.915 151 HB3 GLN 25 HB1 GLN 25 -0.268 10.887 -15.555 152 HG2 GLN 25 HG2 GLN 25 1.374 9.300 -15.136 153 HG3 GLN 25 HG1 GLN 25 0.374 8.434 -13.970 154 HE21 GLN 25 HE21 GLN 25 1.136 6.609 -15.327 155 HE22 GLN 25 HE22 GLN 25 0.195 6.188 -16.713 156 H ASP 26 HN ASP 26 -0.174 11.203 -10.913 157 HA ASP 26 HA ASP 26 -1.831 8.901 -10.216 158 HB2 ASP 26 HB2 ASP 26 0.894 9.375 -8.991 159 HB3 ASP 26 HB1 ASP 26 -0.208 8.050 -8.630 160 H ARG 27 HN ARG 27 -3.427 10.181 -9.392 161 HA ARG 27 HA ARG 27 -3.034 12.465 -7.803 162 HB2 ARG 27 HB2 ARG 27 -5.130 11.876 -9.017 163 HB3 ARG 27 HB1 ARG 27 -5.435 10.633 -7.811 164 HG2 ARG 27 HG2 ARG 27 -6.696 12.313 -6.948 165 HG3 ARG 27 HG1 ARG 27 -5.162 12.673 -6.155 166 HD2 ARG 27 HD2 ARG 27 -6.136 14.699 -7.068 167 HD3 ARG 27 HD1 ARG 27 -4.644 14.298 -7.918 168 HE ARG 27 HE ARG 27 -6.730 13.163 -9.353 169 HH11 ARG 27 HH11 ARG 27 -5.654 16.355 -8.443 170 HH12 ARG 27 HH12 ARG 27 -6.321 17.117 -9.848 171 HH21 ARG 27 HH21 ARG 27 -7.608 14.163 -11.202 172 HH22 ARG 27 HH22 ARG 27 -7.431 15.873 -11.414 173 H CYS 28 HN CYS 28 -2.842 9.117 -7.038 174 HA CYS 28 HA CYS 28 -3.047 9.675 -4.167 175 HB2 CYS 28 HB2 CYS 28 -3.113 7.105 -5.743 176 HB3 CYS 28 HB1 CYS 28 -2.976 7.137 -3.989 177 H CYS 29 HN CYS 29 -0.712 9.535 -6.526 178 HA CYS 29 HA CYS 29 1.364 8.989 -4.523 179 HB2 CYS 29 HB2 CYS 29 1.325 7.918 -7.352 180 HB3 CYS 29 HB1 CYS 29 2.691 7.800 -6.251 181 H ASN 30 HN ASN 30 2.846 10.563 -4.425 182 HA ASN 30 HA ASN 30 3.010 12.440 -6.692 183 HB2 ASN 30 HB2 ASN 30 2.138 13.516 -4.708 184 HB3 ASN 30 HB1 ASN 30 3.486 12.922 -3.747 185 HD21 ASN 30 HD21 ASN 30 4.582 14.672 -3.180 186 HD22 ASN 30 HD22 ASN 30 5.155 15.893 -4.258 187 H ALA 31 HN ALA 31 4.879 12.797 -7.670 188 HA ALA 31 HA ALA 31 7.144 11.138 -7.110 189 HB1 ALA 31 HB1 ALA 31 6.374 13.100 -9.181 190 HB2 ALA 31 HB2 ALA 31 7.098 11.504 -9.349 191 HB3 ALA 31 HB3 ALA 31 8.103 12.884 -8.915 192 H ALA 32 HN ALA 32 6.420 14.582 -6.828 193 HA ALA 32 HA ALA 32 8.893 15.560 -6.072 194 HB1 ALA 32 HB1 ALA 32 6.132 16.442 -5.900 195 HB2 ALA 32 HB2 ALA 32 7.597 17.365 -6.238 196 HB3 ALA 32 HB3 ALA 32 7.119 17.048 -4.570 197 H THR 33 HN THR 33 6.809 13.471 -4.314 198 HA THR 33 HA THR 33 8.420 13.895 -1.885 199 HB THR 33 HB THR 33 5.980 14.503 -1.698 200 HG1 THR 33 HG1 THR 33 5.843 13.633 0.299 201 HG21 THR 33 HG21 THR 33 5.356 12.365 -3.121 202 HG22 THR 33 HG22 THR 33 4.274 13.018 -1.891 203 HG23 THR 33 HG23 THR 33 5.291 11.625 -1.521 204 H CYS 34 HN CYS 34 7.230 11.677 -4.248 205 HA CYS 34 HA CYS 34 7.648 9.490 -4.655 206 HB2 CYS 34 HB2 CYS 34 9.932 10.296 -2.935 207 HB3 CYS 34 HB1 CYS 34 9.629 8.567 -3.058 208 H LYS 35 HN LYS 35 5.644 10.242 -2.879 209 HA LYS 35 HA LYS 35 5.262 7.772 -1.436 210 HB2 LYS 35 HB2 LYS 35 5.265 10.358 0.128 211 HB3 LYS 35 HB1 LYS 35 4.935 8.750 0.757 212 HG2 LYS 35 HG2 LYS 35 7.267 8.112 0.155 213 HG3 LYS 35 HG1 LYS 35 7.559 9.801 -0.267 214 HD2 LYS 35 HD2 LYS 35 6.491 9.025 2.428 215 HD3 LYS 35 HD1 LYS 35 8.222 9.007 2.086 216 HE2 LYS 35 HE2 LYS 35 7.946 11.399 1.294 217 HE3 LYS 35 HE1 LYS 35 6.336 11.349 2.010 218 HZ1 LYS 35 HZ1 LYS 35 8.794 10.722 3.541 219 HZ2 LYS 35 HZ2 LYS 35 7.245 11.027 4.147 220 HZ3 LYS 35 HZ3 LYS 35 8.142 12.281 3.452 221 H LEU 36 HN LEU 36 3.101 7.864 -0.214 222 HA LEU 36 HA LEU 36 1.055 8.409 -2.015 223 HB2 LEU 36 HB2 LEU 36 1.003 8.027 0.973 224 HB3 LEU 36 HB1 LEU 36 -0.452 8.175 0.007 225 HG LEU 36 HG LEU 36 1.361 6.128 -1.013 226 HD11 LEU 36 HD11 LEU 36 0.246 5.837 1.770 227 HD12 LEU 36 HD12 LEU 36 1.946 5.826 1.302 228 HD13 LEU 36 HD13 LEU 36 0.883 4.514 0.794 229 HD21 LEU 36 HD21 LEU 36 -0.802 6.143 -1.882 230 HD22 LEU 36 HD22 LEU 36 -1.539 6.363 -0.295 231 HD23 LEU 36 HD23 LEU 36 -0.823 4.811 -0.727 232 H THR 37 HN THR 37 -0.454 10.028 -2.224 233 HA THR 37 HA THR 37 0.377 12.638 -1.270 234 HB THR 37 HB THR 37 -1.905 13.112 -2.667 235 HG1 THR 37 HG1 THR 37 -2.373 11.537 -3.965 236 HG21 THR 37 HG21 THR 37 -0.598 13.976 -4.283 237 HG22 THR 37 HG22 THR 37 0.426 12.543 -4.379 238 HG23 THR 37 HG23 THR 37 0.659 13.708 -3.076 239 HA PRO 38 HA PRO 38 -2.523 13.267 1.980 240 HB2 PRO 38 HB2 PRO 38 -3.843 15.576 1.256 241 HB3 PRO 38 HB1 PRO 38 -2.240 15.531 1.998 242 HG2 PRO 38 HG2 PRO 38 -2.989 15.822 -0.882 243 HG3 PRO 38 HG1 PRO 38 -1.720 16.654 0.037 244 HD2 PRO 38 HD2 PRO 38 -1.153 14.620 -1.620 245 HD3 PRO 38 HD1 PRO 38 -0.269 14.851 -0.097 246 H GLY 39 HN GLY 39 -4.172 11.889 2.184 247 HA2 GLY 39 HA2 GLY 39 -6.638 11.799 2.020 248 HA3 GLY 39 HA1 GLY 39 -6.444 12.166 0.313 249 H SER 40 HN SER 40 -4.082 10.364 0.134 250 HA SER 40 HA SER 40 -5.539 7.806 0.171 251 HB2 SER 40 HB2 SER 40 -5.183 8.380 -2.109 252 HB3 SER 40 HB1 SER 40 -3.525 8.892 -1.797 253 HG SER 40 HG SER 40 -4.375 6.232 -1.365 254 H GLN 41 HN GLN 41 -4.645 6.129 1.226 255 HA GLN 41 HA GLN 41 -1.931 6.510 2.309 256 HB2 GLN 41 HB2 GLN 41 -4.367 5.169 3.456 257 HB3 GLN 41 HB1 GLN 41 -2.755 4.832 4.073 258 HG2 GLN 41 HG2 GLN 41 -2.839 7.576 4.048 259 HG3 GLN 41 HG1 GLN 41 -4.482 7.131 4.504 260 HE21 GLN 41 HE21 GLN 41 -1.330 5.667 5.199 261 HE22 GLN 41 HE22 GLN 41 -1.491 5.718 6.918 262 H CYS 42 HN CYS 42 -4.049 4.365 0.575 263 HA CYS 42 HA CYS 42 -1.816 2.461 0.276 264 HB2 CYS 42 HB2 CYS 42 -4.059 1.847 1.611 265 HB3 CYS 42 HB1 CYS 42 -4.559 1.428 -0.023 266 H ASN 43 HN ASN 43 -1.066 2.979 -1.703 267 HA ASN 43 HA ASN 43 -2.929 3.443 -3.894 268 HB2 ASN 43 HB2 ASN 43 -0.996 4.122 -5.172 269 HB3 ASN 43 HB1 ASN 43 -0.926 4.892 -3.589 270 HD21 ASN 43 HD21 ASN 43 0.933 3.545 -5.829 271 HD22 ASN 43 HD22 ASN 43 2.190 2.875 -4.853 272 H TYR 44 HN TYR 44 -1.208 0.859 -2.525 273 HA TYR 44 HA TYR 44 -2.149 -0.994 -4.436 274 HB2 TYR 44 HB2 TYR 44 -0.370 -1.426 -5.791 275 HB3 TYR 44 HB1 TYR 44 0.026 0.250 -5.432 276 HD1 TYR 44 HD1 TYR 44 0.698 -3.232 -4.332 277 HD2 TYR 44 HD2 TYR 44 2.080 0.787 -4.450 278 HE1 TYR 44 HE1 TYR 44 2.849 -3.957 -3.417 279 HE2 TYR 44 HE2 TYR 44 4.247 0.077 -3.537 280 HH TYR 44 HH TYR 44 5.085 -1.898 -2.105 281 H GLY 45 HN GLY 45 -2.250 -2.965 -3.519 282 HA2 GLY 45 HA2 GLY 45 -0.832 -4.558 -2.083 283 HA3 GLY 45 HA1 GLY 45 -0.946 -3.264 -0.899 284 H GLU 46 HN GLU 46 -1.823 -5.723 -0.205 285 HA GLU 46 HA GLU 46 -4.469 -6.394 -0.745 286 HB2 GLU 46 HB2 GLU 46 -2.488 -7.010 1.352 287 HB3 GLU 46 HB1 GLU 46 -4.167 -7.282 1.793 288 HG2 GLU 46 HG2 GLU 46 -3.046 -9.284 0.888 289 HG3 GLU 46 HG1 GLU 46 -4.470 -8.800 -0.031 290 H CYS 47 HN CYS 47 -3.178 -4.379 1.880 291 HA CYS 47 HA CYS 47 -5.661 -3.973 3.165 292 HB2 CYS 47 HB2 CYS 47 -2.941 -2.817 3.339 293 HB3 CYS 47 HB1 CYS 47 -4.252 -1.875 4.036 294 H CYS 48 HN CYS 48 -4.428 -2.542 0.294 295 HA CYS 48 HA CYS 48 -5.599 0.006 0.554 296 HB2 CYS 48 HB2 CYS 48 -5.151 -1.335 -2.091 297 HB3 CYS 48 HB1 CYS 48 -5.025 0.373 -1.678 298 H ASP 49 HN ASP 49 -7.397 0.909 -0.209 299 HA ASP 49 HA ASP 49 -9.414 -0.414 -1.701 300 HB2 ASP 49 HB2 ASP 49 -9.810 -1.552 0.444 301 HB3 ASP 49 HB1 ASP 49 -9.939 0.004 1.256 302 H GLN 50 HN GLN 50 -9.696 1.352 -2.956 303 HA GLN 50 HA GLN 50 -10.400 3.427 -3.593 304 HB2 GLN 50 HB2 GLN 50 -11.203 3.925 -0.725 305 HB3 GLN 50 HB1 GLN 50 -11.824 4.714 -2.168 306 HG2 GLN 50 HG2 GLN 50 -12.180 1.820 -2.179 307 HG3 GLN 50 HG1 GLN 50 -13.005 2.633 -0.849 308 HE21 GLN 50 HE21 GLN 50 -14.445 4.398 -1.402 309 HE22 GLN 50 HE22 GLN 50 -15.291 4.359 -2.908 310 H CYS 51 HN CYS 51 -7.742 2.880 -2.725 311 HA CYS 51 HA CYS 51 -5.778 3.965 -2.448 312 HB2 CYS 51 HB2 CYS 51 -7.632 6.191 -3.023 313 HB3 CYS 51 HB1 CYS 51 -6.131 6.634 -2.217 314 H ARG 52 HN ARG 52 -7.713 3.289 -0.171 315 HA ARG 52 HA ARG 52 -6.197 4.729 1.899 316 HB2 ARG 52 HB2 ARG 52 -8.751 5.362 1.475 317 HB3 ARG 52 HB1 ARG 52 -9.011 3.947 2.485 318 HG2 ARG 52 HG2 ARG 52 -8.971 5.581 4.073 319 HG3 ARG 52 HG1 ARG 52 -7.264 5.136 4.044 320 HD2 ARG 52 HD2 ARG 52 -6.805 6.993 2.522 321 HD3 ARG 52 HD1 ARG 52 -8.512 7.433 2.539 322 HE ARG 52 HE ARG 52 -6.559 8.087 4.504 323 HH11 ARG 52 HH11 ARG 52 -9.941 7.339 4.079 324 HH12 ARG 52 HH12 ARG 52 -10.440 8.211 5.489 325 HH21 ARG 52 HH21 ARG 52 -7.214 9.235 6.359 326 HH22 ARG 52 HH22 ARG 52 -8.892 9.288 6.784 327 H PHE 53 HN PHE 53 -5.784 3.542 3.820 328 HA PHE 53 HA PHE 53 -5.420 0.765 3.411 329 HB2 PHE 53 HB2 PHE 53 -5.154 2.477 5.883 330 HB3 PHE 53 HB1 PHE 53 -4.818 0.747 5.882 331 HD1 PHE 53 HD1 PHE 53 -3.600 0.616 3.118 332 HD2 PHE 53 HD2 PHE 53 -2.983 3.270 6.381 333 HE1 PHE 53 HE1 PHE 53 -1.332 1.040 2.328 334 HE2 PHE 53 HE2 PHE 53 -0.692 3.705 5.594 335 HZ PHE 53 HZ PHE 53 0.142 2.589 3.561 336 H LYS 54 HN LYS 54 -6.402 -0.993 4.308 337 HA LYS 54 HA LYS 54 -9.215 -0.723 4.765 338 HB2 LYS 54 HB2 LYS 54 -7.331 -2.875 4.269 339 HB3 LYS 54 HB1 LYS 54 -8.486 -3.310 5.521 340 HG2 LYS 54 HG2 LYS 54 -10.287 -3.188 4.096 341 HG3 LYS 54 HG1 LYS 54 -9.466 -2.089 2.987 342 HD2 LYS 54 HD2 LYS 54 -7.991 -4.522 3.093 343 HD3 LYS 54 HD1 LYS 54 -9.691 -4.915 2.833 344 HE2 LYS 54 HE2 LYS 54 -8.470 -2.719 1.241 345 HE3 LYS 54 HE1 LYS 54 -8.083 -4.385 0.816 346 HZ1 LYS 54 HZ1 LYS 54 -10.819 -3.246 1.006 347 HZ2 LYS 54 HZ2 LYS 54 -10.442 -4.841 0.588 348 HZ3 LYS 54 HZ3 LYS 54 -9.984 -3.570 -0.430 349 H LYS 55 HN LYS 55 -9.728 0.321 6.606 350 HA LYS 55 HA LYS 55 -8.673 0.719 8.959 351 HB2 LYS 55 HB2 LYS 55 -11.029 1.238 8.397 352 HB3 LYS 55 HB1 LYS 55 -11.457 -0.434 8.734 353 HG2 LYS 55 HG2 LYS 55 -10.708 -0.134 11.058 354 HG3 LYS 55 HG1 LYS 55 -10.356 1.559 10.705 355 HD2 LYS 55 HD2 LYS 55 -12.456 1.894 11.450 356 HD3 LYS 55 HD1 LYS 55 -12.910 1.378 9.824 357 HE2 LYS 55 HE2 LYS 55 -14.251 0.070 11.208 358 HE3 LYS 55 HE1 LYS 55 -12.908 -0.998 10.801 359 HZ1 LYS 55 HZ1 LYS 55 -11.909 -0.037 12.980 360 HZ2 LYS 55 HZ2 LYS 55 -13.060 -1.274 13.057 361 HZ3 LYS 55 HZ3 LYS 55 -13.520 0.327 13.351 362 H ALA 56 HN ALA 56 -7.792 -0.304 10.638 363 HA ALA 56 HA ALA 56 -7.022 -2.899 10.666 364 HB1 ALA 56 HB1 ALA 56 -7.188 -2.611 13.288 365 HB2 ALA 56 HB2 ALA 56 -7.474 -0.929 12.837 366 HB3 ALA 56 HB3 ALA 56 -5.991 -1.739 12.330 367 H GLY 57 HN GLY 57 -7.947 -4.817 10.905 368 HA2 GLY 57 HA2 GLY 57 -9.491 -6.236 12.180 369 HA3 GLY 57 HA1 GLY 57 -10.644 -4.908 12.123 370 H THR 58 HN THR 58 -9.295 -4.761 9.203 371 HA THR 58 HA THR 58 -11.496 -6.140 7.937 372 HB THR 58 HB THR 58 -9.155 -4.634 6.742 373 HG1 THR 58 HG1 THR 58 -11.777 -3.848 7.453 374 HG21 THR 58 HG21 THR 58 -11.147 -6.224 5.488 375 HG22 THR 58 HG22 THR 58 -9.858 -5.264 4.757 376 HG23 THR 58 HG23 THR 58 -11.426 -4.527 5.087 377 H VAL 59 HN VAL 59 -11.304 -8.323 7.842 378 HA VAL 59 HA VAL 59 -8.837 -9.691 7.725 379 HB VAL 59 HB VAL 59 -10.797 -10.843 8.569 380 HG11 VAL 59 HG11 VAL 59 -12.792 -10.971 7.544 381 HG12 VAL 59 HG12 VAL 59 -12.074 -11.249 5.958 382 HG13 VAL 59 HG13 VAL 59 -12.188 -9.610 6.598 383 HG21 VAL 59 HG21 VAL 59 -10.338 -12.364 6.069 384 HG22 VAL 59 HG22 VAL 59 -10.278 -12.897 7.749 385 HG23 VAL 59 HG23 VAL 59 -8.931 -11.988 7.064 386 H CYS 60 HN CYS 60 -7.480 -9.748 6.076 387 HA CYS 60 HA CYS 60 -8.555 -9.464 3.349 388 HB2 CYS 60 HB2 CYS 60 -5.629 -9.297 3.782 389 HB3 CYS 60 HB1 CYS 60 -6.666 -8.345 2.729 390 H ARG 61 HN ARG 61 -6.800 -11.541 5.490 391 HA ARG 61 HA ARG 61 -6.977 -13.707 3.585 392 HB2 ARG 61 HB2 ARG 61 -4.335 -13.932 4.584 393 HB3 ARG 61 HB1 ARG 61 -4.846 -13.718 2.917 394 HG2 ARG 61 HG2 ARG 61 -4.799 -11.280 3.240 395 HG3 ARG 61 HG1 ARG 61 -4.218 -11.531 4.885 396 HD2 ARG 61 HD2 ARG 61 -2.701 -12.903 2.762 397 HD3 ARG 61 HD1 ARG 61 -2.607 -11.143 2.755 398 HE ARG 61 HE ARG 61 -2.116 -12.432 5.307 399 HH11 ARG 61 HH11 ARG 61 -0.726 -11.090 2.396 400 HH12 ARG 61 HH12 ARG 61 0.827 -10.829 3.115 401 HH21 ARG 61 HH21 ARG 61 -0.081 -12.087 6.248 402 HH22 ARG 61 HH22 ARG 61 1.195 -11.396 5.300 403 H ILE 62 HN ILE 62 -5.676 -15.664 4.763 404 HA ILE 62 HA ILE 62 -5.673 -15.725 7.557 405 HB ILE 62 HB ILE 62 -8.101 -15.512 7.309 406 HG12 ILE 62 HG12 ILE 62 -7.031 -16.788 9.188 407 HG13 ILE 62 HG11 ILE 62 -8.702 -17.224 8.859 408 HG21 ILE 62 HG21 ILE 62 -8.746 -18.146 6.420 409 HG22 ILE 62 HG22 ILE 62 -7.759 -17.335 5.204 410 HG23 ILE 62 HG23 ILE 62 -9.256 -16.589 5.766 411 HD11 ILE 62 HD11 ILE 62 -6.320 -18.847 8.816 412 HD12 ILE 62 HD12 ILE 62 -7.229 -18.979 7.311 413 HD13 ILE 62 HD13 ILE 62 -8.016 -19.328 8.848 414 H ALA 63 HN ALA 63 -4.635 -17.442 8.248 415 HA ALA 63 HA ALA 63 -3.137 -19.038 6.630 416 HB1 ALA 63 HB1 ALA 63 -3.770 -18.960 9.423 417 HB2 ALA 63 HB2 ALA 63 -2.280 -19.455 8.621 418 HB3 ALA 63 HB3 ALA 63 -3.576 -20.624 8.871 419 H ARG 64 HN ARG 64 -5.542 -20.744 8.590 420 HA ARG 64 HA ARG 64 -6.904 -21.809 6.295 421 HB2 ARG 64 HB2 ARG 64 -4.784 -23.407 7.666 422 HB3 ARG 64 HB1 ARG 64 -6.200 -24.227 7.024 423 HG2 ARG 64 HG2 ARG 64 -5.648 -22.966 4.837 424 HG3 ARG 64 HG1 ARG 64 -4.056 -22.742 5.565 425 HD2 ARG 64 HD2 ARG 64 -3.688 -25.077 5.698 426 HD3 ARG 64 HD1 ARG 64 -5.376 -25.435 5.335 427 HE ARG 64 HE ARG 64 -4.167 -23.999 3.209 428 HH11 ARG 64 HH11 ARG 64 -4.308 -27.169 4.663 429 HH12 ARG 64 HH12 ARG 64 -3.930 -27.998 3.190 430 HH21 ARG 64 HH21 ARG 64 -3.670 -25.088 1.271 431 HH22 ARG 64 HH22 ARG 64 -3.568 -26.817 1.265 432 H GLY 65 HN GLY 65 -6.149 -23.384 9.367 433 HA2 GLY 65 HA2 GLY 65 -8.728 -24.208 9.943 434 HA3 GLY 65 HA1 GLY 65 -7.470 -23.978 11.145 435 H ASP 66 HN ASP 66 -7.499 -21.016 10.132 436 HA ASP 66 HA ASP 66 -8.507 -19.056 10.701 437 HB2 ASP 66 HB2 ASP 66 -10.956 -20.605 11.546 438 HB3 ASP 66 HB1 ASP 66 -10.859 -18.927 11.019 439 H TRP 67 HN TRP 67 -6.972 -18.930 12.359 440 HA TRP 67 HA TRP 67 -8.004 -19.520 15.055 441 HB2 TRP 67 HB2 TRP 67 -5.204 -19.114 15.164 442 HB3 TRP 67 HB1 TRP 67 -6.084 -20.619 15.409 443 HD1 TRP 67 HD1 TRP 67 -4.422 -18.625 12.528 444 HE1 TRP 67 HE1 TRP 67 -3.661 -20.301 10.754 445 HE3 TRP 67 HE3 TRP 67 -6.343 -22.888 14.571 446 HZ2 TRP 67 HZ2 TRP 67 -3.855 -23.073 10.257 447 HZ3 TRP 67 HZ3 TRP 67 -6.016 -25.020 13.381 448 HH2 TRP 67 HH2 TRP 67 -4.795 -25.109 11.266 449 H ASN 68 HN ASN 68 -5.462 -17.488 13.681 450 HA ASN 68 HA ASN 68 -6.233 -15.322 15.477 451 HB2 ASN 68 HB2 ASN 68 -3.888 -15.266 13.591 452 HB3 ASN 68 HB1 ASN 68 -4.102 -14.392 15.105 453 HD21 ASN 68 HD21 ASN 68 -3.478 -17.526 13.677 454 HD22 ASN 68 HD22 ASN 68 -2.747 -18.231 15.074 455 H ASP 69 HN ASP 69 -6.327 -16.199 12.123 456 HA ASP 69 HA ASP 69 -7.249 -15.201 10.293 457 HB2 ASP 69 HB2 ASP 69 -8.593 -13.742 12.536 458 HB3 ASP 69 HB1 ASP 69 -8.820 -13.184 10.881 459 H ASP 70 HN ASP 70 -6.383 -13.900 8.830 460 HA ASP 70 HA ASP 70 -4.405 -11.995 9.671 461 HB2 ASP 70 HB2 ASP 70 -4.190 -13.553 7.675 462 HB3 ASP 70 HB1 ASP 70 -5.350 -12.512 6.857 463 H TYR 71 HN TYR 71 -4.805 -9.951 10.137 464 HA TYR 71 HA TYR 71 -7.063 -8.632 8.782 465 HB2 TYR 71 HB2 TYR 71 -6.301 -8.630 11.678 466 HB3 TYR 71 HB1 TYR 71 -7.248 -7.319 10.981 467 HD1 TYR 71 HD1 TYR 71 -9.393 -7.909 9.810 468 HD2 TYR 71 HD2 TYR 71 -7.328 -10.614 12.334 469 HE1 TYR 71 HE1 TYR 71 -11.455 -9.201 10.071 470 HE2 TYR 71 HE2 TYR 71 -9.370 -11.940 12.603 471 HH TYR 71 HH TYR 71 -11.936 -11.432 12.438 472 H CYS 72 HN CYS 72 -6.919 -6.501 8.313 473 HA CYS 72 HA CYS 72 -4.323 -5.439 7.825 474 HB2 CYS 72 HB2 CYS 72 -6.401 -5.041 6.439 475 HB3 CYS 72 HB1 CYS 72 -6.968 -3.981 7.724 476 H THR 73 HN THR 73 -3.696 -3.206 8.604 477 HA THR 73 HA THR 73 -4.520 -2.839 11.410 478 HB THR 73 HB THR 73 -2.305 -2.330 12.037 479 HG1 THR 73 HG1 THR 73 -1.553 -2.374 9.306 480 HG21 THR 73 HG21 THR 73 -2.843 -4.794 11.058 481 HG22 THR 73 HG22 THR 73 -1.343 -4.340 11.869 482 HG23 THR 73 HG23 THR 73 -1.427 -4.347 10.107 483 H GLY 74 HN GLY 74 -5.149 -1.526 8.633 484 HA2 GLY 74 HA2 GLY 74 -5.577 0.579 7.822 485 HA3 GLY 74 HA1 GLY 74 -5.939 0.950 9.500 486 H LYS 75 HN LYS 75 -2.727 -0.019 8.581 487 HA LYS 75 HA LYS 75 -1.839 2.770 8.558 488 HB2 LYS 75 HB2 LYS 75 -0.795 0.624 10.405 489 HB3 LYS 75 HB1 LYS 75 0.042 2.142 10.106 490 HG2 LYS 75 HG2 LYS 75 -2.023 3.323 10.906 491 HG3 LYS 75 HG1 LYS 75 -2.639 1.746 11.407 492 HD2 LYS 75 HD2 LYS 75 -0.070 3.016 12.354 493 HD3 LYS 75 HD1 LYS 75 -1.578 2.939 13.268 494 HE2 LYS 75 HE2 LYS 75 -0.541 1.111 14.140 495 HE3 LYS 75 HE1 LYS 75 -1.317 0.351 12.751 496 HZ1 LYS 75 HZ1 LYS 75 0.645 0.046 11.707 497 HZ2 LYS 75 HZ2 LYS 75 1.260 0.092 13.282 498 HZ3 LYS 75 HZ3 LYS 75 1.334 1.471 12.306 499 H SER 76 HN SER 76 -1.899 0.036 6.872 500 HA SER 76 HA SER 76 0.356 0.743 5.289 501 HB2 SER 76 HB2 SER 76 0.636 -1.453 7.270 502 HB3 SER 76 HB1 SER 76 1.297 -1.738 5.660 503 HG SER 76 HG SER 76 1.896 0.475 7.335 504 H SER 77 HN SER 77 0.735 -0.891 3.517 505 HA SER 77 HA SER 77 -1.842 -1.740 2.476 506 HB2 SER 77 HB2 SER 77 -0.835 -1.770 0.374 507 HB3 SER 77 HB1 SER 77 0.064 -0.496 1.195 508 HG SER 77 HG SER 77 1.170 -2.409 0.010 509 H ASP 78 HN ASP 78 0.006 -3.157 4.612 510 HA ASP 78 HA ASP 78 -0.074 -5.813 3.347 511 HB2 ASP 78 HB2 ASP 78 1.790 -4.558 5.302 512 HB3 ASP 78 HB1 ASP 78 1.490 -6.288 5.446 513 H CYS 79 HN CYS 79 -0.994 -7.524 4.392 514 HA CYS 79 HA CYS 79 -2.596 -6.885 6.787 515 HB2 CYS 79 HB2 CYS 79 -3.663 -7.446 4.405 516 HB3 CYS 79 HB1 CYS 79 -3.403 -9.097 4.959 517 HA PRO 80 HA PRO 80 0.234 -10.168 8.236 518 HB2 PRO 80 HB2 PRO 80 -0.058 -9.626 10.872 519 HB3 PRO 80 HB1 PRO 80 1.011 -8.691 9.819 520 HG2 PRO 80 HG2 PRO 80 -1.766 -8.053 10.745 521 HG3 PRO 80 HG1 PRO 80 -0.347 -6.993 10.656 522 HD2 PRO 80 HD2 PRO 80 -2.290 -6.979 8.772 523 HD3 PRO 80 HD1 PRO 80 -0.589 -6.650 8.388 524 H TRP 81 HN TRP 81 -0.167 -12.204 8.975 525 HA TRP 81 HA TRP 81 -2.871 -13.111 9.121 526 HB2 TRP 81 HB2 TRP 81 -0.934 -14.999 10.197 527 HB3 TRP 81 HB1 TRP 81 -2.010 -15.159 8.817 528 HD1 TRP 81 HD1 TRP 81 1.562 -14.174 9.734 529 HE1 TRP 81 HE1 TRP 81 2.967 -14.101 7.578 530 HE3 TRP 81 HE3 TRP 81 -2.184 -14.729 6.333 531 HZ2 TRP 81 HZ2 TRP 81 2.531 -14.264 4.797 532 HZ3 TRP 81 HZ3 TRP 81 -1.617 -14.768 3.932 533 HH2 TRP 81 HH2 TRP 81 0.697 -14.536 3.182 534 H ASN 82 HN ASN 82 -1.103 -11.528 11.384 535 HA ASN 82 HA ASN 82 -1.368 -11.163 13.615 536 HB2 ASN 82 HB2 ASN 82 -3.885 -12.525 12.863 537 HB3 ASN 82 HB1 ASN 82 -3.467 -12.603 14.571 538 HD21 ASN 82 HD21 ASN 82 -4.581 -10.643 11.999 539 HD22 ASN 82 HD22 ASN 82 -4.830 -9.196 12.910 540 H HIS 83 HN HIS 83 0.227 -13.327 12.524 541 HA HIS 83 HA HIS 83 0.109 -15.307 14.693 542 HB2 HIS 83 HB2 HIS 83 1.524 -15.465 12.019 543 HB3 HIS 83 HB1 HIS 83 1.441 -16.751 13.223 544 HD1 HIS 83 HD1 HIS 83 0.375 -17.322 10.444 545 HD2 HIS 83 HD2 HIS 83 -1.970 -15.791 13.512 546 HE1 HIS 83 HE1 HIS 83 -1.997 -17.889 9.829 547 HE2 HIS 83 HE2 HIS 83 -3.403 -16.884 11.658 Start of MODEL 14 1 H1 SER 1 HT1 SER 1 18.030 1.479 -12.217 2 H2 SER 1 HT2 SER 1 18.016 0.056 -13.176 3 H3 SER 1 HT3 SER 1 19.489 0.626 -12.503 4 HA SER 1 HA SER 1 18.638 -1.255 -11.314 5 HB2 SER 1 HB2 SER 1 19.794 0.934 -10.334 6 HB3 SER 1 HB1 SER 1 18.254 1.077 -9.487 7 HG SER 1 HG SER 1 19.929 -0.152 -8.378 8 HA PRO 2 HA PRO 2 14.343 -1.910 -10.633 9 HB2 PRO 2 HB2 PRO 2 14.932 -2.593 -7.808 10 HB3 PRO 2 HB1 PRO 2 14.151 -3.560 -9.062 11 HG2 PRO 2 HG2 PRO 2 16.648 -4.085 -8.272 12 HG3 PRO 2 HG1 PRO 2 16.161 -4.258 -9.968 13 HD2 PRO 2 HD2 PRO 2 17.741 -2.085 -8.660 14 HD3 PRO 2 HD1 PRO 2 17.937 -2.813 -10.267 15 HA PRO 3 HA PRO 3 13.433 1.150 -7.103 16 HB2 PRO 3 HB2 PRO 3 15.369 2.021 -5.476 17 HB3 PRO 3 HB1 PRO 3 14.648 0.421 -5.271 18 HG2 PRO 3 HG2 PRO 3 17.287 1.185 -6.399 19 HG3 PRO 3 HG1 PRO 3 16.826 -0.266 -5.494 20 HD2 PRO 3 HD2 PRO 3 17.089 -0.028 -8.292 21 HD3 PRO 3 HD1 PRO 3 16.383 -1.390 -7.406 22 H VAL 4 HN VAL 4 13.077 2.605 -8.842 23 HA VAL 4 HA VAL 4 15.119 4.721 -9.094 24 HB VAL 4 HB VAL 4 13.127 4.334 -11.258 25 HG11 VAL 4 HG11 VAL 4 15.190 4.937 -12.608 26 HG12 VAL 4 HG12 VAL 4 15.981 5.244 -11.061 27 HG13 VAL 4 HG13 VAL 4 14.561 6.180 -11.526 28 HG21 VAL 4 HG21 VAL 4 14.472 2.646 -12.367 29 HG22 VAL 4 HG22 VAL 4 13.911 2.051 -10.803 30 HG23 VAL 4 HG23 VAL 4 15.578 2.600 -10.994 31 H CYS 5 HN CYS 5 14.470 6.456 -7.987 32 HA CYS 5 HA CYS 5 11.645 7.084 -7.706 33 HB2 CYS 5 HB2 CYS 5 14.041 7.699 -6.250 34 HB3 CYS 5 HB1 CYS 5 13.271 9.208 -6.721 35 H GLY 6 HN GLY 6 10.739 7.916 -9.493 36 HA2 GLY 6 HA2 GLY 6 10.353 9.961 -10.730 37 HA3 GLY 6 HA1 GLY 6 12.094 10.223 -10.730 38 H ASN 7 HN ASN 7 10.682 7.110 -11.285 39 HA ASN 7 HA ASN 7 11.317 7.283 -14.152 40 HB2 ASN 7 HB2 ASN 7 13.094 6.077 -12.887 41 HB3 ASN 7 HB1 ASN 7 11.879 4.933 -12.326 42 HD21 ASN 7 HD21 ASN 7 13.941 5.871 -14.890 43 HD22 ASN 7 HD22 ASN 7 13.541 4.594 -15.982 44 H LYS 8 HN LYS 8 8.961 6.937 -11.954 45 HA LYS 8 HA LYS 8 6.778 6.382 -12.178 46 HB2 LYS 8 HB2 LYS 8 7.345 4.853 -14.705 47 HB3 LYS 8 HB1 LYS 8 5.845 5.618 -14.202 48 HG2 LYS 8 HG2 LYS 8 7.991 7.541 -14.451 49 HG3 LYS 8 HG1 LYS 8 7.736 6.642 -15.947 50 HD2 LYS 8 HD2 LYS 8 5.423 7.819 -14.446 51 HD3 LYS 8 HD1 LYS 8 6.383 8.808 -15.548 52 HE2 LYS 8 HE2 LYS 8 5.611 7.742 -17.396 53 HE3 LYS 8 HE1 LYS 8 5.465 6.190 -16.571 54 HZ1 LYS 8 HZ1 LYS 8 3.284 6.820 -16.953 55 HZ2 LYS 8 HZ2 LYS 8 3.568 8.449 -16.597 56 HZ3 LYS 8 HZ3 LYS 8 3.529 7.307 -15.351 57 H ILE 9 HN ILE 9 9.165 4.606 -11.292 58 HA ILE 9 HA ILE 9 7.621 2.104 -11.089 59 HB ILE 9 HB ILE 9 10.365 1.704 -10.356 60 HG12 ILE 9 HG12 ILE 9 9.973 2.812 -13.142 61 HG13 ILE 9 HG11 ILE 9 10.844 3.603 -11.832 62 HG21 ILE 9 HG21 ILE 9 8.349 0.548 -12.152 63 HG22 ILE 9 HG22 ILE 9 9.430 -0.228 -10.993 64 HG23 ILE 9 HG23 ILE 9 10.031 0.238 -12.585 65 HD11 ILE 9 HD11 ILE 9 11.632 1.282 -13.505 66 HD12 ILE 9 HD12 ILE 9 12.232 1.377 -11.849 67 HD13 ILE 9 HD13 ILE 9 12.575 2.680 -12.988 68 H LEU 10 HN LEU 10 6.611 2.247 -9.161 69 HA LEU 10 HA LEU 10 7.650 3.572 -6.890 70 HB2 LEU 10 HB2 LEU 10 5.850 2.459 -5.650 71 HB3 LEU 10 HB1 LEU 10 5.269 3.196 -7.130 72 HG LEU 10 HG LEU 10 5.997 0.308 -7.197 73 HD11 LEU 10 HD11 LEU 10 3.386 0.136 -6.600 74 HD12 LEU 10 HD12 LEU 10 3.845 1.495 -5.572 75 HD13 LEU 10 HD13 LEU 10 4.674 -0.054 -5.411 76 HD21 LEU 10 HD21 LEU 10 5.265 0.801 -9.261 77 HD22 LEU 10 HD22 LEU 10 4.384 2.232 -8.722 78 HD23 LEU 10 HD23 LEU 10 3.667 0.631 -8.533 79 H GLU 11 HN GLU 11 9.819 2.486 -7.302 80 HA GLU 11 HA GLU 11 10.001 0.042 -5.685 81 HB2 GLU 11 HB2 GLU 11 11.641 0.845 -8.083 82 HB3 GLU 11 HB1 GLU 11 11.996 -0.538 -7.056 83 HG2 GLU 11 HG2 GLU 11 9.295 -0.326 -8.267 84 HG3 GLU 11 HG1 GLU 11 10.649 -0.785 -9.298 85 H GLN 12 HN GLN 12 11.660 3.017 -6.721 86 HA GLN 12 HA GLN 12 13.802 2.783 -4.883 87 HB2 GLN 12 HB2 GLN 12 13.767 4.279 -6.884 88 HB3 GLN 12 HB1 GLN 12 12.669 5.336 -6.020 89 HG2 GLN 12 HG2 GLN 12 15.057 6.046 -5.996 90 HG3 GLN 12 HG1 GLN 12 14.316 5.879 -4.406 91 HE21 GLN 12 HE21 GLN 12 14.836 4.017 -3.151 92 HE22 GLN 12 HE22 GLN 12 16.334 3.190 -3.391 93 H GLY 13 HN GLY 13 12.259 2.036 -3.103 94 HA2 GLY 13 HA2 GLY 13 11.025 2.433 -1.179 95 HA3 GLY 13 HA1 GLY 13 12.368 3.525 -0.890 96 H GLU 14 HN GLU 14 9.877 3.930 -3.360 97 HA GLU 14 HA GLU 14 9.198 6.478 -2.108 98 HB2 GLU 14 HB2 GLU 14 8.046 6.968 -4.272 99 HB3 GLU 14 HB1 GLU 14 9.775 6.694 -4.412 100 HG2 GLU 14 HG2 GLU 14 8.791 4.193 -4.837 101 HG3 GLU 14 HG1 GLU 14 7.532 5.202 -5.544 102 H ASP 15 HN ASP 15 7.492 3.713 -3.573 103 HA ASP 15 HA ASP 15 5.523 2.702 -3.019 104 HB2 ASP 15 HB2 ASP 15 5.289 4.568 -0.659 105 HB3 ASP 15 HB1 ASP 15 4.558 2.979 -0.862 106 H CYS 16 HN CYS 16 5.901 5.565 -4.265 107 HA CYS 16 HA CYS 16 3.486 5.904 -5.456 108 HB2 CYS 16 HB2 CYS 16 3.414 6.886 -2.699 109 HB3 CYS 16 HB1 CYS 16 2.930 8.091 -3.886 110 H ASP 17 HN ASP 17 5.257 6.366 -6.908 111 HA ASP 17 HA ASP 17 5.959 9.220 -6.833 112 HB2 ASP 17 HB2 ASP 17 7.940 8.007 -6.136 113 HB3 ASP 17 HB1 ASP 17 7.804 6.931 -7.519 114 H CYS 18 HN CYS 18 6.537 10.111 -8.903 115 HA CYS 18 HA CYS 18 5.302 8.706 -11.180 116 HB2 CYS 18 HB2 CYS 18 5.223 11.662 -10.540 117 HB3 CYS 18 HB1 CYS 18 4.646 10.944 -12.037 118 H GLY 19 HN GLY 19 6.234 9.223 -13.278 119 HA2 GLY 19 HA2 GLY 19 9.007 9.199 -13.378 120 HA3 GLY 19 HA1 GLY 19 7.975 9.685 -14.718 121 H SER 20 HN SER 20 6.832 11.955 -13.890 122 HA SER 20 HA SER 20 8.954 13.746 -12.972 123 HB2 SER 20 HB2 SER 20 7.283 14.440 -15.387 124 HB3 SER 20 HB1 SER 20 8.723 15.260 -14.790 125 HG SER 20 HG SER 20 8.683 12.606 -15.796 126 HA PRO 21 HA PRO 21 5.691 15.371 -10.475 127 HB2 PRO 21 HB2 PRO 21 6.563 17.985 -10.282 128 HB3 PRO 21 HB1 PRO 21 7.149 16.649 -9.287 129 HG2 PRO 21 HG2 PRO 21 8.365 17.875 -11.724 130 HG3 PRO 21 HG1 PRO 21 9.152 17.302 -10.242 131 HD2 PRO 21 HD2 PRO 21 9.189 15.861 -12.509 132 HD3 PRO 21 HD1 PRO 21 9.086 15.087 -10.914 133 H ALA 22 HN ALA 22 6.430 16.614 -13.607 134 HA ALA 22 HA ALA 22 4.171 18.427 -13.669 135 HB1 ALA 22 HB1 ALA 22 4.894 19.011 -15.870 136 HB2 ALA 22 HB2 ALA 22 5.950 17.601 -15.956 137 HB3 ALA 22 HB3 ALA 22 6.322 18.915 -14.840 138 H ASN 23 HN ASN 23 5.047 15.245 -14.896 139 HA ASN 23 HA ASN 23 2.350 14.984 -16.035 140 HB2 ASN 23 HB2 ASN 23 3.450 12.878 -17.121 141 HB3 ASN 23 HB1 ASN 23 3.773 14.473 -17.791 142 HD21 ASN 23 HD21 ASN 23 5.041 12.112 -15.485 143 HD22 ASN 23 HD22 ASN 23 6.707 12.461 -15.780 144 H CYS 24 HN CYS 24 3.264 14.659 -13.191 145 HA CYS 24 HA CYS 24 3.248 11.961 -12.464 146 HB2 CYS 24 HB2 CYS 24 3.968 13.776 -10.972 147 HB3 CYS 24 HB1 CYS 24 2.308 14.349 -10.874 148 H GLN 25 HN GLN 25 1.645 10.980 -13.724 149 HA GLN 25 HA GLN 25 -1.116 11.741 -13.435 150 HB2 GLN 25 HB2 GLN 25 0.431 9.861 -15.078 151 HB3 GLN 25 HB1 GLN 25 -1.169 9.282 -14.637 152 HG2 GLN 25 HG2 GLN 25 -2.217 11.159 -15.650 153 HG3 GLN 25 HG1 GLN 25 -0.667 11.966 -15.890 154 HE21 GLN 25 HE21 GLN 25 -2.332 11.676 -17.996 155 HE22 GLN 25 HE22 GLN 25 -1.708 10.507 -19.104 156 H ASP 26 HN ASP 26 -0.176 11.256 -10.923 157 HA ASP 26 HA ASP 26 -1.699 8.871 -10.177 158 HB2 ASP 26 HB2 ASP 26 0.969 9.632 -8.961 159 HB3 ASP 26 HB1 ASP 26 -0.047 8.278 -8.474 160 H ARG 27 HN ARG 27 -3.417 10.041 -9.457 161 HA ARG 27 HA ARG 27 -3.275 12.420 -7.978 162 HB2 ARG 27 HB2 ARG 27 -5.266 11.613 -9.212 163 HB3 ARG 27 HB1 ARG 27 -5.495 10.375 -7.985 164 HG2 ARG 27 HG2 ARG 27 -6.892 11.891 -7.095 165 HG3 ARG 27 HG1 ARG 27 -5.406 12.571 -6.428 166 HD2 ARG 27 HD2 ARG 27 -5.418 13.779 -8.823 167 HD3 ARG 27 HD1 ARG 27 -7.154 13.569 -8.595 168 HE ARG 27 HE ARG 27 -6.116 14.634 -6.241 169 HH11 ARG 27 HH11 ARG 27 -6.522 15.572 -9.577 170 HH12 ARG 27 HH12 ARG 27 -6.644 17.262 -9.218 171 HH21 ARG 27 HH21 ARG 27 -6.277 16.856 -5.766 172 HH22 ARG 27 HH22 ARG 27 -6.505 17.991 -7.054 173 H CYS 28 HN CYS 28 -2.879 9.127 -7.016 174 HA CYS 28 HA CYS 28 -3.092 9.900 -4.188 175 HB2 CYS 28 HB2 CYS 28 -3.538 7.353 -5.653 176 HB3 CYS 28 HB1 CYS 28 -2.875 7.238 -4.025 177 H CYS 29 HN CYS 29 -0.787 10.071 -6.314 178 HA CYS 29 HA CYS 29 1.299 9.433 -4.400 179 HB2 CYS 29 HB2 CYS 29 1.447 8.314 -7.202 180 HB3 CYS 29 HB1 CYS 29 2.605 8.081 -5.905 181 H ASN 30 HN ASN 30 2.883 10.928 -4.453 182 HA ASN 30 HA ASN 30 2.926 12.763 -6.757 183 HB2 ASN 30 HB2 ASN 30 2.237 13.961 -4.811 184 HB3 ASN 30 HB1 ASN 30 3.521 13.254 -3.839 185 HD21 ASN 30 HD21 ASN 30 4.812 14.860 -3.284 186 HD22 ASN 30 HD22 ASN 30 5.477 16.038 -4.356 187 H ALA 31 HN ALA 31 4.777 13.157 -7.817 188 HA ALA 31 HA ALA 31 6.988 11.378 -7.433 189 HB1 ALA 31 HB1 ALA 31 6.072 13.248 -9.466 190 HB2 ALA 31 HB2 ALA 31 6.994 11.757 -9.637 191 HB3 ALA 31 HB3 ALA 31 7.823 13.264 -9.260 192 H ALA 32 HN ALA 32 6.377 14.800 -6.874 193 HA ALA 32 HA ALA 32 9.005 15.598 -6.300 194 HB1 ALA 32 HB1 ALA 32 6.463 16.787 -6.332 195 HB2 ALA 32 HB2 ALA 32 8.027 17.583 -6.157 196 HB3 ALA 32 HB3 ALA 32 7.127 17.082 -4.725 197 H THR 33 HN THR 33 6.971 13.524 -4.561 198 HA THR 33 HA THR 33 8.578 13.923 -2.123 199 HB THR 33 HB THR 33 6.170 14.529 -1.856 200 HG1 THR 33 HG1 THR 33 7.228 12.338 -0.431 201 HG21 THR 33 HG21 THR 33 5.521 11.616 -2.058 202 HG22 THR 33 HG22 THR 33 5.373 12.688 -3.448 203 HG23 THR 33 HG23 THR 33 4.429 12.998 -1.993 204 H CYS 34 HN CYS 34 7.483 11.762 -4.564 205 HA CYS 34 HA CYS 34 7.870 9.569 -4.977 206 HB2 CYS 34 HB2 CYS 34 10.157 10.399 -3.290 207 HB3 CYS 34 HB1 CYS 34 9.856 8.666 -3.338 208 H LYS 35 HN LYS 35 5.819 10.233 -3.269 209 HA LYS 35 HA LYS 35 5.427 7.776 -1.868 210 HB2 LYS 35 HB2 LYS 35 5.751 8.353 0.299 211 HB3 LYS 35 HB1 LYS 35 6.840 9.541 -0.399 212 HG2 LYS 35 HG2 LYS 35 5.170 11.260 -0.218 213 HG3 LYS 35 HG1 LYS 35 3.967 10.088 0.321 214 HD2 LYS 35 HD2 LYS 35 4.774 11.240 2.247 215 HD3 LYS 35 HD1 LYS 35 5.435 9.605 2.283 216 HE2 LYS 35 HE2 LYS 35 7.383 10.660 2.670 217 HE3 LYS 35 HE1 LYS 35 7.380 10.906 0.925 218 HZ1 LYS 35 HZ1 LYS 35 6.344 12.834 2.934 219 HZ2 LYS 35 HZ2 LYS 35 6.378 13.072 1.259 220 HZ3 LYS 35 HZ3 LYS 35 7.826 12.959 2.126 221 H LEU 36 HN LEU 36 3.315 7.931 -0.518 222 HA LEU 36 HA LEU 36 1.209 8.503 -2.208 223 HB2 LEU 36 HB2 LEU 36 1.321 8.255 0.788 224 HB3 LEU 36 HB1 LEU 36 -0.189 8.470 -0.076 225 HG LEU 36 HG LEU 36 1.466 6.268 -1.093 226 HD11 LEU 36 HD11 LEU 36 0.467 6.291 1.737 227 HD12 LEU 36 HD12 LEU 36 2.060 5.836 1.131 228 HD13 LEU 36 HD13 LEU 36 0.670 4.794 0.828 229 HD21 LEU 36 HD21 LEU 36 -0.878 5.171 -0.646 230 HD22 LEU 36 HD22 LEU 36 -0.642 6.283 -1.995 231 HD23 LEU 36 HD23 LEU 36 -1.395 6.850 -0.504 232 H THR 37 HN THR 37 -0.373 10.127 -2.272 233 HA THR 37 HA THR 37 0.640 12.771 -1.578 234 HB THR 37 HB THR 37 -1.592 13.377 -2.864 235 HG1 THR 37 HG1 THR 37 -2.163 11.069 -2.883 236 HG21 THR 37 HG21 THR 37 0.428 14.006 -3.868 237 HG22 THR 37 HG22 THR 37 -0.403 13.014 -5.066 238 HG23 THR 37 HG23 THR 37 0.920 12.332 -4.120 239 HA PRO 38 HA PRO 38 -1.928 13.725 1.864 240 HB2 PRO 38 HB2 PRO 38 -3.383 15.919 0.931 241 HB3 PRO 38 HB1 PRO 38 -1.793 15.986 1.693 242 HG2 PRO 38 HG2 PRO 38 -2.513 16.033 -1.201 243 HG3 PRO 38 HG1 PRO 38 -1.230 16.910 -0.346 244 HD2 PRO 38 HD2 PRO 38 -0.679 14.767 -1.850 245 HD3 PRO 38 HD1 PRO 38 0.186 15.067 -0.327 246 H GLY 39 HN GLY 39 -3.513 12.344 2.350 247 HA2 GLY 39 HA2 GLY 39 -5.929 12.065 2.456 248 HA3 GLY 39 HA1 GLY 39 -5.989 12.465 0.746 249 H SER 40 HN SER 40 -3.594 10.782 0.213 250 HA SER 40 HA SER 40 -5.007 8.220 0.106 251 HB2 SER 40 HB2 SER 40 -3.677 7.666 -1.759 252 HB3 SER 40 HB1 SER 40 -4.015 9.384 -1.971 253 HG SER 40 HG SER 40 -1.946 9.776 -0.978 254 H GLN 41 HN GLN 41 -4.418 6.571 1.352 255 HA GLN 41 HA GLN 41 -1.808 6.721 2.711 256 HB2 GLN 41 HB2 GLN 41 -4.461 5.619 3.606 257 HB3 GLN 41 HB1 GLN 41 -2.958 5.162 4.395 258 HG2 GLN 41 HG2 GLN 41 -2.787 7.891 4.347 259 HG3 GLN 41 HG1 GLN 41 -4.511 7.619 4.593 260 HE21 GLN 41 HE21 GLN 41 -4.870 5.717 6.232 261 HE22 GLN 41 HE22 GLN 41 -3.988 5.877 7.708 262 H CYS 42 HN CYS 42 -3.878 4.795 0.710 263 HA CYS 42 HA CYS 42 -1.753 2.789 0.500 264 HB2 CYS 42 HB2 CYS 42 -3.963 2.260 1.998 265 HB3 CYS 42 HB1 CYS 42 -4.448 1.647 0.421 266 H ASN 43 HN ASN 43 -1.192 3.416 -1.538 267 HA ASN 43 HA ASN 43 -3.282 3.380 -3.602 268 HB2 ASN 43 HB2 ASN 43 -1.817 5.394 -3.454 269 HB3 ASN 43 HB1 ASN 43 -0.433 4.369 -3.820 270 HD21 ASN 43 HD21 ASN 43 -0.082 3.697 -5.885 271 HD22 ASN 43 HD22 ASN 43 -1.003 4.251 -7.238 272 H TYR 44 HN TYR 44 -1.432 1.192 -2.192 273 HA TYR 44 HA TYR 44 -1.585 -0.716 -4.207 274 HB2 TYR 44 HB2 TYR 44 0.260 -0.516 -5.468 275 HB3 TYR 44 HB1 TYR 44 0.522 1.051 -4.717 276 HD1 TYR 44 HD1 TYR 44 1.203 -2.569 -4.115 277 HD2 TYR 44 HD2 TYR 44 2.541 1.442 -3.660 278 HE1 TYR 44 HE1 TYR 44 3.311 -3.390 -3.173 279 HE2 TYR 44 HE2 TYR 44 4.663 0.635 -2.721 280 HH TYR 44 HH TYR 44 5.763 -2.420 -3.015 281 H GLY 45 HN GLY 45 -1.785 -2.499 -3.048 282 HA2 GLY 45 HA2 GLY 45 -0.153 -3.910 -1.542 283 HA3 GLY 45 HA1 GLY 45 -0.552 -2.633 -0.401 284 H GLU 46 HN GLU 46 -1.113 -5.220 0.247 285 HA GLU 46 HA GLU 46 -3.601 -6.233 -0.484 286 HB2 GLU 46 HB2 GLU 46 -1.724 -6.593 1.771 287 HB3 GLU 46 HB1 GLU 46 -3.378 -7.117 2.052 288 HG2 GLU 46 HG2 GLU 46 -1.899 -8.916 1.241 289 HG3 GLU 46 HG1 GLU 46 -3.286 -8.623 0.193 290 H CYS 47 HN CYS 47 -2.762 -4.089 2.215 291 HA CYS 47 HA CYS 47 -5.410 -3.983 3.244 292 HB2 CYS 47 HB2 CYS 47 -2.829 -2.637 3.805 293 HB3 CYS 47 HB1 CYS 47 -4.290 -1.836 4.371 294 H CYS 48 HN CYS 48 -3.955 -2.368 0.600 295 HA CYS 48 HA CYS 48 -5.332 0.088 0.790 296 HB2 CYS 48 HB2 CYS 48 -4.431 -1.135 -1.802 297 HB3 CYS 48 HB1 CYS 48 -4.520 0.569 -1.356 298 H ASP 49 HN ASP 49 -7.150 0.844 -0.057 299 HA ASP 49 HA ASP 49 -8.827 -0.550 -1.872 300 HB2 ASP 49 HB2 ASP 49 -9.086 -1.635 0.562 301 HB3 ASP 49 HB1 ASP 49 -10.177 -0.268 0.771 302 H GLN 50 HN GLN 50 -9.425 1.179 -3.021 303 HA GLN 50 HA GLN 50 -10.314 3.199 -3.577 304 HB2 GLN 50 HB2 GLN 50 -11.562 2.587 -0.982 305 HB3 GLN 50 HB1 GLN 50 -11.523 4.299 -1.381 306 HG2 GLN 50 HG2 GLN 50 -12.409 2.544 -3.557 307 HG3 GLN 50 HG1 GLN 50 -13.464 2.578 -2.145 308 HE21 GLN 50 HE21 GLN 50 -14.536 3.482 -4.375 309 HE22 GLN 50 HE22 GLN 50 -14.650 5.205 -4.384 310 H CYS 51 HN CYS 51 -7.636 2.937 -2.524 311 HA CYS 51 HA CYS 51 -5.856 4.257 -2.050 312 HB2 CYS 51 HB2 CYS 51 -7.930 6.205 -2.835 313 HB3 CYS 51 HB1 CYS 51 -6.604 6.861 -1.881 314 H ARG 52 HN ARG 52 -7.642 3.192 0.049 315 HA ARG 52 HA ARG 52 -6.593 4.812 2.246 316 HB2 ARG 52 HB2 ARG 52 -9.485 3.995 1.937 317 HB3 ARG 52 HB1 ARG 52 -8.788 4.528 3.461 318 HG2 ARG 52 HG2 ARG 52 -8.272 6.366 1.261 319 HG3 ARG 52 HG1 ARG 52 -9.989 6.130 1.590 320 HD2 ARG 52 HD2 ARG 52 -9.680 7.718 3.147 321 HD3 ARG 52 HD1 ARG 52 -9.004 6.402 4.105 322 HE ARG 52 HE ARG 52 -6.913 7.397 2.614 323 HH11 ARG 52 HH11 ARG 52 -9.136 8.646 4.997 324 HH12 ARG 52 HH12 ARG 52 -8.017 9.819 5.608 325 HH21 ARG 52 HH21 ARG 52 -5.441 8.939 3.416 326 HH22 ARG 52 HH22 ARG 52 -5.920 9.986 4.710 327 H PHE 53 HN PHE 53 -6.066 3.624 4.089 328 HA PHE 53 HA PHE 53 -5.465 0.913 3.715 329 HB2 PHE 53 HB2 PHE 53 -5.600 2.591 6.218 330 HB3 PHE 53 HB1 PHE 53 -5.130 0.892 6.248 331 HD1 PHE 53 HD2 PHE 53 -3.674 1.014 3.530 332 HD2 PHE 53 HD1 PHE 53 -3.507 3.420 7.033 333 HE1 PHE 53 HE2 PHE 53 -1.376 1.623 2.987 334 HE2 PHE 53 HE1 PHE 53 -1.188 4.040 6.495 335 HZ PHE 53 HZ PHE 53 -0.113 3.141 4.468 336 H LYS 54 HN LYS 54 -6.412 -0.949 4.282 337 HA LYS 54 HA LYS 54 -9.236 -0.985 4.504 338 HB2 LYS 54 HB2 LYS 54 -7.080 -2.941 4.288 339 HB3 LYS 54 HB1 LYS 54 -8.394 -3.497 5.315 340 HG2 LYS 54 HG2 LYS 54 -9.858 -3.648 3.601 341 HG3 LYS 54 HG1 LYS 54 -9.161 -2.275 2.741 342 HD2 LYS 54 HD2 LYS 54 -7.163 -3.787 2.280 343 HD3 LYS 54 HD1 LYS 54 -8.188 -5.118 2.822 344 HE2 LYS 54 HE2 LYS 54 -9.848 -3.890 1.081 345 HE3 LYS 54 HE1 LYS 54 -8.288 -3.532 0.342 346 HZ1 LYS 54 HZ1 LYS 54 -8.766 -6.281 1.205 347 HZ2 LYS 54 HZ2 LYS 54 -7.908 -5.702 -0.133 348 HZ3 LYS 54 HZ3 LYS 54 -9.599 -5.746 -0.168 349 H LYS 55 HN LYS 55 -10.041 0.003 6.272 350 HA LYS 55 HA LYS 55 -9.274 0.431 8.744 351 HB2 LYS 55 HB2 LYS 55 -11.564 0.863 7.927 352 HB3 LYS 55 HB1 LYS 55 -11.952 -0.837 8.150 353 HG2 LYS 55 HG2 LYS 55 -12.794 0.548 9.979 354 HG3 LYS 55 HG1 LYS 55 -11.610 -0.635 10.538 355 HD2 LYS 55 HD2 LYS 55 -9.879 1.102 10.524 356 HD3 LYS 55 HD1 LYS 55 -11.073 2.282 9.979 357 HE2 LYS 55 HE2 LYS 55 -11.299 0.718 12.544 358 HE3 LYS 55 HE1 LYS 55 -10.592 2.329 12.436 359 HZ1 LYS 55 HZ1 LYS 55 -12.893 2.785 11.242 360 HZ2 LYS 55 HZ2 LYS 55 -12.712 2.901 12.919 361 HZ3 LYS 55 HZ3 LYS 55 -13.383 1.506 12.236 362 H ALA 56 HN ALA 56 -8.485 -0.594 10.464 363 HA ALA 56 HA ALA 56 -7.624 -3.146 10.554 364 HB1 ALA 56 HB1 ALA 56 -8.100 -2.925 13.144 365 HB2 ALA 56 HB2 ALA 56 -8.423 -1.250 12.693 366 HB3 ALA 56 HB3 ALA 56 -6.851 -1.970 12.345 367 H GLY 57 HN GLY 57 -8.481 -5.111 10.651 368 HA2 GLY 57 HA2 GLY 57 -10.122 -6.594 11.758 369 HA3 GLY 57 HA1 GLY 57 -11.317 -5.333 11.479 370 H THR 58 HN THR 58 -9.647 -5.068 8.797 371 HA THR 58 HA THR 58 -11.484 -6.665 7.251 372 HB THR 58 HB THR 58 -9.162 -4.903 6.435 373 HG1 THR 58 HG1 THR 58 -10.568 -3.411 6.826 374 HG21 THR 58 HG21 THR 58 -10.440 -6.800 4.860 375 HG22 THR 58 HG22 THR 58 -9.431 -5.456 4.317 376 HG23 THR 58 HG23 THR 58 -11.181 -5.259 4.425 377 H VAL 59 HN VAL 59 -11.118 -8.792 7.024 378 HA VAL 59 HA VAL 59 -8.556 -9.963 7.401 379 HB VAL 59 HB VAL 59 -10.610 -11.197 7.926 380 HG11 VAL 59 HG11 VAL 59 -12.231 -11.772 6.420 381 HG12 VAL 59 HG12 VAL 59 -11.124 -11.738 5.047 382 HG13 VAL 59 HG13 VAL 59 -11.715 -10.228 5.742 383 HG21 VAL 59 HG21 VAL 59 -8.440 -12.216 6.286 384 HG22 VAL 59 HG22 VAL 59 -9.904 -13.190 6.149 385 HG23 VAL 59 HG23 VAL 59 -9.183 -12.900 7.732 386 H CYS 60 HN CYS 60 -6.939 -10.100 5.996 387 HA CYS 60 HA CYS 60 -7.566 -9.899 3.120 388 HB2 CYS 60 HB2 CYS 60 -4.850 -9.421 4.323 389 HB3 CYS 60 HB1 CYS 60 -5.444 -8.930 2.742 390 H ARG 61 HN ARG 61 -6.199 -11.901 5.558 391 HA ARG 61 HA ARG 61 -5.761 -14.020 3.626 392 HB2 ARG 61 HB2 ARG 61 -3.569 -12.595 5.017 393 HB3 ARG 61 HB1 ARG 61 -3.454 -14.348 4.985 394 HG2 ARG 61 HG2 ARG 61 -3.828 -14.145 2.466 395 HG3 ARG 61 HG1 ARG 61 -3.477 -12.429 2.685 396 HD2 ARG 61 HD2 ARG 61 -1.687 -14.784 3.225 397 HD3 ARG 61 HD1 ARG 61 -1.425 -13.452 2.101 398 HE ARG 61 HE ARG 61 -0.949 -13.454 4.955 399 HH11 ARG 61 HH11 ARG 61 -1.330 -11.520 2.073 400 HH12 ARG 61 HH12 ARG 61 -0.489 -10.158 2.732 401 HH21 ARG 61 HH21 ARG 61 0.145 -11.670 5.820 402 HH22 ARG 61 HH22 ARG 61 0.350 -10.242 4.860 403 H ILE 62 HN ILE 62 -5.087 -16.079 4.753 404 HA ILE 62 HA ILE 62 -5.704 -16.306 7.562 405 HB ILE 62 HB ILE 62 -7.371 -17.996 5.720 406 HG12 ILE 62 HG12 ILE 62 -9.291 -16.444 6.376 407 HG13 ILE 62 HG11 ILE 62 -8.057 -15.277 6.833 408 HG21 ILE 62 HG21 ILE 62 -6.832 -18.255 8.339 409 HG22 ILE 62 HG22 ILE 62 -8.335 -18.797 7.592 410 HG23 ILE 62 HG23 ILE 62 -8.273 -17.241 8.419 411 HD11 ILE 62 HD11 ILE 62 -7.382 -16.131 4.261 412 HD12 ILE 62 HD12 ILE 62 -8.049 -14.571 4.743 413 HD13 ILE 62 HD13 ILE 62 -9.128 -15.878 4.251 414 H ALA 63 HN ALA 63 -4.344 -17.758 8.357 415 HA ALA 63 HA ALA 63 -2.443 -19.138 6.978 416 HB1 ALA 63 HB1 ALA 63 -1.775 -19.653 9.025 417 HB2 ALA 63 HB2 ALA 63 -3.158 -20.726 9.242 418 HB3 ALA 63 HB3 ALA 63 -3.295 -19.016 9.652 419 H ARG 64 HN ARG 64 -5.197 -20.855 8.441 420 HA ARG 64 HA ARG 64 -6.077 -22.155 6.145 421 HB2 ARG 64 HB2 ARG 64 -3.599 -23.106 6.693 422 HB3 ARG 64 HB1 ARG 64 -4.577 -24.229 7.624 423 HG2 ARG 64 HG2 ARG 64 -4.180 -25.151 5.451 424 HG3 ARG 64 HG1 ARG 64 -5.886 -24.718 5.583 425 HD2 ARG 64 HD2 ARG 64 -4.870 -22.428 4.572 426 HD3 ARG 64 HD1 ARG 64 -3.772 -23.607 3.857 427 HE ARG 64 HE ARG 64 -6.210 -24.660 3.357 428 HH11 ARG 64 HH11 ARG 64 -4.818 -21.509 2.795 429 HH12 ARG 64 HH12 ARG 64 -5.778 -21.198 1.388 430 HH21 ARG 64 HH21 ARG 64 -7.473 -24.253 1.506 431 HH22 ARG 64 HH22 ARG 64 -7.286 -22.756 0.656 432 H GLY 65 HN GLY 65 -7.786 -21.308 7.699 433 HA2 GLY 65 HA2 GLY 65 -9.529 -23.101 8.543 434 HA3 GLY 65 HA1 GLY 65 -8.385 -23.165 9.875 435 H ASP 66 HN ASP 66 -8.756 -21.867 11.530 436 HA ASP 66 HA ASP 66 -9.663 -19.195 11.269 437 HB2 ASP 66 HB2 ASP 66 -11.673 -21.317 11.796 438 HB3 ASP 66 HB1 ASP 66 -11.793 -19.852 12.766 439 H TRP 67 HN TRP 67 -7.747 -19.040 12.531 440 HA TRP 67 HA TRP 67 -8.144 -19.708 15.375 441 HB2 TRP 67 HB2 TRP 67 -5.394 -19.290 14.944 442 HB3 TRP 67 HB1 TRP 67 -6.196 -20.820 15.275 443 HD1 TRP 67 HD1 TRP 67 -5.323 -18.643 12.176 444 HE1 TRP 67 HE1 TRP 67 -4.824 -20.230 10.223 445 HE3 TRP 67 HE3 TRP 67 -6.295 -23.086 14.485 446 HZ2 TRP 67 HZ2 TRP 67 -4.835 -23.003 9.722 447 HZ3 TRP 67 HZ3 TRP 67 -6.026 -25.171 13.200 448 HH2 TRP 67 HH2 TRP 67 -5.309 -25.128 10.864 449 H ASN 68 HN ASN 68 -5.979 -17.646 13.496 450 HA ASN 68 HA ASN 68 -6.708 -15.381 15.232 451 HB2 ASN 68 HB2 ASN 68 -4.154 -15.432 13.664 452 HB3 ASN 68 HB1 ASN 68 -4.525 -14.584 15.161 453 HD21 ASN 68 HD21 ASN 68 -3.930 -17.764 13.779 454 HD22 ASN 68 HD22 ASN 68 -3.307 -18.477 15.224 455 H ASP 69 HN ASP 69 -6.058 -16.462 11.958 456 HA ASP 69 HA ASP 69 -6.648 -15.643 9.922 457 HB2 ASP 69 HB2 ASP 69 -8.631 -14.418 11.756 458 HB3 ASP 69 HB1 ASP 69 -8.497 -13.717 10.146 459 H ASP 70 HN ASP 70 -5.994 -14.072 8.495 460 HA ASP 70 HA ASP 70 -4.214 -12.078 9.550 461 HB2 ASP 70 HB2 ASP 70 -3.858 -13.431 7.405 462 HB3 ASP 70 HB1 ASP 70 -5.054 -12.373 6.678 463 H TYR 71 HN TYR 71 -4.668 -10.000 9.954 464 HA TYR 71 HA TYR 71 -7.031 -8.833 8.667 465 HB2 TYR 71 HB2 TYR 71 -6.501 -9.106 11.594 466 HB3 TYR 71 HB1 TYR 71 -7.445 -7.746 10.991 467 HD1 TYR 71 HD2 TYR 71 -9.459 -8.241 9.578 468 HD2 TYR 71 HD1 TYR 71 -7.492 -11.207 11.878 469 HE1 TYR 71 HE2 TYR 71 -11.472 -9.629 9.464 470 HE2 TYR 71 HE1 TYR 71 -9.484 -12.630 11.768 471 HH TYR 71 HH TYR 71 -12.127 -11.943 9.678 472 H CYS 72 HN CYS 72 -6.975 -6.726 8.220 473 HA CYS 72 HA CYS 72 -4.462 -5.414 8.117 474 HB2 CYS 72 HB2 CYS 72 -6.454 -5.110 6.545 475 HB3 CYS 72 HB1 CYS 72 -7.150 -4.086 7.795 476 H THR 73 HN THR 73 -4.071 -3.224 9.048 477 HA THR 73 HA THR 73 -5.242 -3.004 11.743 478 HB THR 73 HB THR 73 -3.159 -2.463 12.667 479 HG1 THR 73 HG1 THR 73 -2.171 -2.132 10.030 480 HG21 THR 73 HG21 THR 73 -3.377 -4.859 11.435 481 HG22 THR 73 HG22 THR 73 -2.025 -4.379 12.461 482 HG23 THR 73 HG23 THR 73 -1.897 -4.235 10.707 483 H GLY 74 HN GLY 74 -5.550 -1.623 8.924 484 HA2 GLY 74 HA2 GLY 74 -5.995 0.485 8.131 485 HA3 GLY 74 HA1 GLY 74 -6.580 0.784 9.760 486 H LYS 75 HN LYS 75 -3.237 -0.015 9.222 487 HA LYS 75 HA LYS 75 -2.503 2.816 9.487 488 HB2 LYS 75 HB2 LYS 75 -1.172 0.613 11.060 489 HB3 LYS 75 HB1 LYS 75 -0.897 2.343 11.202 490 HG2 LYS 75 HG2 LYS 75 -3.633 1.987 11.647 491 HG3 LYS 75 HG1 LYS 75 -2.832 0.682 12.524 492 HD2 LYS 75 HD2 LYS 75 -2.181 3.620 12.752 493 HD3 LYS 75 HD1 LYS 75 -3.105 2.675 13.922 494 HE2 LYS 75 HE2 LYS 75 -1.077 2.498 14.914 495 HE3 LYS 75 HE1 LYS 75 -0.911 1.155 13.784 496 HZ1 LYS 75 HZ1 LYS 75 0.878 3.086 13.992 497 HZ2 LYS 75 HZ2 LYS 75 -0.113 3.780 12.811 498 HZ3 LYS 75 HZ3 LYS 75 0.589 2.266 12.540 499 H SER 76 HN SER 76 -2.256 0.208 7.571 500 HA SER 76 HA SER 76 -0.005 1.226 6.173 501 HB2 SER 76 HB2 SER 76 0.403 -1.069 8.024 502 HB3 SER 76 HB1 SER 76 1.200 -1.135 6.453 503 HG SER 76 HG SER 76 1.421 0.946 8.372 504 H SER 77 HN SER 77 0.700 -0.378 4.408 505 HA SER 77 HA SER 77 -1.716 -1.349 3.112 506 HB2 SER 77 HB2 SER 77 -0.490 -1.318 1.102 507 HB3 SER 77 HB1 SER 77 0.134 0.067 1.998 508 HG SER 77 HG SER 77 1.434 -2.133 1.135 509 H ASP 78 HN ASP 78 0.000 -2.706 5.372 510 HA ASP 78 HA ASP 78 0.233 -5.315 4.027 511 HB2 ASP 78 HB2 ASP 78 1.814 -5.940 5.800 512 HB3 ASP 78 HB1 ASP 78 2.353 -4.499 4.942 513 H CYS 79 HN CYS 79 -0.730 -7.091 4.868 514 HA CYS 79 HA CYS 79 -2.551 -6.665 7.151 515 HB2 CYS 79 HB2 CYS 79 -3.169 -7.387 4.506 516 HB3 CYS 79 HB1 CYS 79 -3.317 -8.874 5.440 517 HA PRO 80 HA PRO 80 0.323 -9.864 8.667 518 HB2 PRO 80 HB2 PRO 80 -0.272 -9.535 11.288 519 HB3 PRO 80 HB1 PRO 80 0.819 -8.454 10.413 520 HG2 PRO 80 HG2 PRO 80 -2.081 -8.086 11.072 521 HG3 PRO 80 HG1 PRO 80 -0.747 -6.926 11.215 522 HD2 PRO 80 HD2 PRO 80 -2.465 -6.893 9.133 523 HD3 PRO 80 HD1 PRO 80 -0.758 -6.442 8.957 524 H TRP 81 HN TRP 81 -0.057 -11.972 8.878 525 HA TRP 81 HA TRP 81 -2.502 -13.222 8.670 526 HB2 TRP 81 HB2 TRP 81 -0.682 -14.770 10.358 527 HB3 TRP 81 HB1 TRP 81 -1.346 -15.153 8.778 528 HD1 TRP 81 HD1 TRP 81 1.650 -13.315 10.374 529 HE1 TRP 81 HE1 TRP 81 3.559 -13.274 8.646 530 HE3 TRP 81 HE3 TRP 81 -0.837 -15.306 6.413 531 HZ2 TRP 81 HZ2 TRP 81 3.947 -14.005 5.945 532 HZ3 TRP 81 HZ3 TRP 81 0.363 -15.615 4.279 533 HH2 TRP 81 HH2 TRP 81 2.711 -14.972 4.053 534 H ASN 82 HN ASN 82 -0.976 -11.932 11.476 535 HA ASN 82 HA ASN 82 -1.865 -11.398 13.529 536 HB2 ASN 82 HB2 ASN 82 -4.154 -11.609 12.332 537 HB3 ASN 82 HB1 ASN 82 -4.212 -13.220 13.041 538 HD21 ASN 82 HD21 ASN 82 -4.838 -9.960 13.508 539 HD22 ASN 82 HD22 ASN 82 -5.160 -10.000 15.205 540 H HIS 83 HN HIS 83 -0.175 -13.651 12.738 541 HA HIS 83 HA HIS 83 -0.818 -15.650 14.784 542 HB2 HIS 83 HB2 HIS 83 1.268 -15.752 12.591 543 HB3 HIS 83 HB1 HIS 83 0.810 -17.077 13.660 544 HD1 HIS 83 HD1 HIS 83 0.576 -17.047 10.479 545 HD2 HIS 83 HD2 HIS 83 -2.517 -16.468 13.191 546 HE1 HIS 83 HE1 HIS 83 -1.529 -17.634 9.234 547 HE2 HIS 83 HE2 HIS 83 -3.378 -17.367 10.924 Start of MODEL 15 1 H1 SER 1 HT1 SER 1 21.367 3.135 -11.523 2 H2 SER 1 HT2 SER 1 20.154 4.192 -10.925 3 H3 SER 1 HT3 SER 1 19.731 2.909 -11.984 4 HA SER 1 HA SER 1 20.675 1.392 -10.249 5 HB2 SER 1 HB2 SER 1 20.283 3.931 -8.641 6 HB3 SER 1 HB1 SER 1 20.650 2.343 -7.969 7 HG SER 1 HG SER 1 22.370 4.131 -8.738 8 HA PRO 2 HA PRO 2 16.464 0.201 -9.824 9 HB2 PRO 2 HB2 PRO 2 17.077 -0.307 -6.947 10 HB3 PRO 2 HB1 PRO 2 16.312 -1.363 -8.139 11 HG2 PRO 2 HG2 PRO 2 18.850 -1.736 -7.423 12 HG3 PRO 2 HG1 PRO 2 18.331 -1.964 -9.103 13 HD2 PRO 2 HD2 PRO 2 19.883 0.266 -7.884 14 HD3 PRO 2 HD1 PRO 2 19.980 -0.419 -9.518 15 HA PRO 3 HA PRO 3 15.079 3.179 -6.286 16 HB2 PRO 3 HB2 PRO 3 17.414 4.677 -5.428 17 HB3 PRO 3 HB1 PRO 3 16.329 3.672 -4.467 18 HG2 PRO 3 HG2 PRO 3 18.910 2.996 -4.981 19 HG3 PRO 3 HG1 PRO 3 17.627 1.801 -4.717 20 HD2 PRO 3 HD2 PRO 3 18.817 2.768 -7.292 21 HD3 PRO 3 HD1 PRO 3 18.382 1.116 -6.802 22 H VAL 4 HN VAL 4 14.179 4.216 -8.137 23 HA VAL 4 HA VAL 4 15.602 6.684 -8.908 24 HB VAL 4 HB VAL 4 13.572 5.542 -10.751 25 HG11 VAL 4 HG11 VAL 4 16.081 7.165 -10.958 26 HG12 VAL 4 HG12 VAL 4 14.444 7.579 -11.467 27 HG13 VAL 4 HG13 VAL 4 15.378 6.392 -12.378 28 HG21 VAL 4 HG21 VAL 4 14.975 3.602 -10.103 29 HG22 VAL 4 HG22 VAL 4 16.398 4.493 -10.644 30 HG23 VAL 4 HG23 VAL 4 15.145 4.046 -11.801 31 H CYS 5 HN CYS 5 14.652 8.355 -7.936 32 HA CYS 5 HA CYS 5 11.803 8.324 -7.361 33 HB2 CYS 5 HB2 CYS 5 13.202 9.236 -5.627 34 HB3 CYS 5 HB1 CYS 5 13.994 10.324 -6.759 35 H GLY 6 HN GLY 6 10.596 8.623 -9.125 36 HA2 GLY 6 HA2 GLY 6 9.559 10.360 -10.486 37 HA3 GLY 6 HA1 GLY 6 11.174 10.999 -10.778 38 H ASN 7 HN ASN 7 10.500 7.599 -10.745 39 HA ASN 7 HA ASN 7 10.708 7.483 -13.674 40 HB2 ASN 7 HB2 ASN 7 12.863 6.908 -12.449 41 HB3 ASN 7 HB1 ASN 7 12.017 5.511 -11.794 42 HD21 ASN 7 HD21 ASN 7 14.224 5.039 -13.209 43 HD22 ASN 7 HD22 ASN 7 13.848 4.382 -14.761 44 H LYS 8 HN LYS 8 8.783 6.975 -11.137 45 HA LYS 8 HA LYS 8 6.805 5.902 -10.928 46 HB2 LYS 8 HB2 LYS 8 7.110 5.810 -13.600 47 HB3 LYS 8 HB1 LYS 8 7.186 4.090 -13.242 48 HG2 LYS 8 HG2 LYS 8 5.005 3.971 -12.668 49 HG3 LYS 8 HG1 LYS 8 4.983 5.597 -11.982 50 HD2 LYS 8 HD2 LYS 8 4.527 6.587 -13.993 51 HD3 LYS 8 HD1 LYS 8 5.339 5.325 -14.921 52 HE2 LYS 8 HE2 LYS 8 2.947 4.473 -13.428 53 HE3 LYS 8 HE1 LYS 8 2.655 5.600 -14.752 54 HZ1 LYS 8 HZ1 LYS 8 4.306 3.180 -15.134 55 HZ2 LYS 8 HZ2 LYS 8 3.519 4.117 -16.303 56 HZ3 LYS 8 HZ3 LYS 8 2.620 3.123 -15.272 57 H ILE 9 HN ILE 9 9.546 4.873 -10.098 58 HA ILE 9 HA ILE 9 8.707 2.101 -9.546 59 HB ILE 9 HB ILE 9 11.537 2.528 -9.117 60 HG12 ILE 9 HG12 ILE 9 10.513 2.997 -11.924 61 HG13 ILE 9 HG11 ILE 9 11.360 4.160 -10.910 62 HG21 ILE 9 HG21 ILE 9 11.649 0.559 -10.682 63 HG22 ILE 9 HG22 ILE 9 9.889 0.643 -10.772 64 HG23 ILE 9 HG23 ILE 9 10.681 0.340 -9.225 65 HD11 ILE 9 HD11 ILE 9 13.367 2.838 -10.993 66 HD12 ILE 9 HD12 ILE 9 12.795 3.152 -12.632 67 HD13 ILE 9 HD13 ILE 9 12.532 1.572 -11.894 68 H LEU 10 HN LEU 10 8.013 1.990 -7.503 69 HA LEU 10 HA LEU 10 8.739 3.859 -5.490 70 HB2 LEU 10 HB2 LEU 10 7.711 1.138 -4.797 71 HB3 LEU 10 HB1 LEU 10 7.329 2.687 -4.070 72 HG LEU 10 HG LEU 10 6.275 3.055 -6.532 73 HD11 LEU 10 HD11 LEU 10 6.945 0.444 -6.710 74 HD12 LEU 10 HD12 LEU 10 5.605 1.186 -7.583 75 HD13 LEU 10 HD13 LEU 10 5.304 0.319 -6.077 76 HD21 LEU 10 HD21 LEU 10 5.228 2.151 -3.921 77 HD22 LEU 10 HD22 LEU 10 4.142 2.003 -5.303 78 HD23 LEU 10 HD23 LEU 10 4.820 3.575 -4.880 79 H GLU 11 HN GLU 11 11.095 3.538 -6.085 80 HA GLU 11 HA GLU 11 12.250 1.484 -4.331 81 HB2 GLU 11 HB2 GLU 11 12.451 1.073 -6.846 82 HB3 GLU 11 HB1 GLU 11 13.575 2.422 -6.861 83 HG2 GLU 11 HG2 GLU 11 15.219 1.233 -5.892 84 HG3 GLU 11 HG1 GLU 11 14.108 0.358 -4.840 85 H GLN 12 HN GLN 12 12.927 4.615 -5.962 86 HA GLN 12 HA GLN 12 15.139 5.218 -4.270 87 HB2 GLN 12 HB2 GLN 12 14.629 6.277 -6.516 88 HB3 GLN 12 HB1 GLN 12 13.426 7.250 -5.693 89 HG2 GLN 12 HG2 GLN 12 14.960 8.680 -4.994 90 HG3 GLN 12 HG1 GLN 12 15.923 7.383 -4.291 91 HE21 GLN 12 HE21 GLN 12 17.865 7.103 -5.105 92 HE22 GLN 12 HE22 GLN 12 18.401 7.616 -6.665 93 H GLY 13 HN GLY 13 13.755 4.456 -2.310 94 HA2 GLY 13 HA2 GLY 13 12.484 4.942 -0.431 95 HA3 GLY 13 HA1 GLY 13 13.565 6.324 -0.400 96 H GLU 14 HN GLU 14 10.998 5.666 -2.741 97 HA GLU 14 HA GLU 14 9.826 8.248 -2.045 98 HB2 GLU 14 HB2 GLU 14 8.519 7.921 -4.178 99 HB3 GLU 14 HB1 GLU 14 10.259 8.067 -4.365 100 HG2 GLU 14 HG2 GLU 14 9.850 5.344 -4.124 101 HG3 GLU 14 HG1 GLU 14 8.486 5.899 -5.091 102 H ASP 15 HN ASP 15 8.665 4.957 -2.777 103 HA ASP 15 HA ASP 15 6.990 3.719 -1.847 104 HB2 ASP 15 HB2 ASP 15 6.411 5.979 0.065 105 HB3 ASP 15 HB1 ASP 15 6.066 4.264 0.269 106 H CYS 16 HN CYS 16 6.706 6.240 -3.713 107 HA CYS 16 HA CYS 16 4.261 5.781 -4.764 108 HB2 CYS 16 HB2 CYS 16 3.977 7.222 -2.257 109 HB3 CYS 16 HB1 CYS 16 3.285 8.110 -3.610 110 H ASP 17 HN ASP 17 5.744 6.293 -6.450 111 HA ASP 17 HA ASP 17 5.856 9.191 -6.963 112 HB2 ASP 17 HB2 ASP 17 8.092 8.474 -6.366 113 HB3 ASP 17 HB1 ASP 17 8.008 7.149 -7.521 114 H CYS 18 HN CYS 18 6.042 9.759 -9.224 115 HA CYS 18 HA CYS 18 4.850 7.760 -11.030 116 HB2 CYS 18 HB2 CYS 18 4.229 10.706 -10.781 117 HB3 CYS 18 HB1 CYS 18 3.745 9.732 -12.161 118 H GLY 19 HN GLY 19 6.006 7.397 -12.837 119 HA2 GLY 19 HA2 GLY 19 8.527 8.243 -13.357 120 HA3 GLY 19 HA1 GLY 19 7.411 7.786 -14.635 121 H SER 20 HN SER 20 5.577 9.953 -14.232 122 HA SER 20 HA SER 20 7.192 12.326 -14.796 123 HB2 SER 20 HB2 SER 20 5.369 10.933 -16.675 124 HB3 SER 20 HB1 SER 20 5.258 12.692 -16.635 125 HG SER 20 HG SER 20 7.036 11.255 -17.902 126 HA PRO 21 HA PRO 21 4.245 13.813 -11.715 127 HB2 PRO 21 HB2 PRO 21 4.866 16.499 -12.276 128 HB3 PRO 21 HB1 PRO 21 5.577 15.499 -11.007 129 HG2 PRO 21 HG2 PRO 21 6.624 16.157 -13.713 130 HG3 PRO 21 HG1 PRO 21 7.503 15.895 -12.196 131 HD2 PRO 21 HD2 PRO 21 7.471 14.043 -14.126 132 HD3 PRO 21 HD1 PRO 21 7.431 13.585 -12.410 133 H ALA 22 HN ALA 22 4.470 14.763 -15.068 134 HA ALA 22 HA ALA 22 1.910 16.113 -15.061 135 HB1 ALA 22 HB1 ALA 22 2.359 16.729 -17.249 136 HB2 ALA 22 HB2 ALA 22 3.367 15.313 -17.549 137 HB3 ALA 22 HB3 ALA 22 3.974 16.631 -16.548 138 H ASN 23 HN ASN 23 3.224 12.979 -15.819 139 HA ASN 23 HA ASN 23 0.589 12.080 -16.764 140 HB2 ASN 23 HB2 ASN 23 3.355 10.939 -17.176 141 HB3 ASN 23 HB1 ASN 23 1.887 10.058 -17.585 142 HD21 ASN 23 HD21 ASN 23 3.377 10.307 -19.635 143 HD22 ASN 23 HD22 ASN 23 2.902 11.586 -20.695 144 H CYS 24 HN CYS 24 1.599 12.502 -13.961 145 HA CYS 24 HA CYS 24 2.062 10.068 -12.685 146 HB2 CYS 24 HB2 CYS 24 2.441 12.289 -11.665 147 HB3 CYS 24 HB1 CYS 24 0.699 12.518 -11.562 148 H GLN 25 HN GLN 25 0.649 8.572 -13.619 149 HA GLN 25 HA GLN 25 -2.204 8.887 -13.270 150 HB2 GLN 25 HB2 GLN 25 -0.420 7.093 -14.748 151 HB3 GLN 25 HB1 GLN 25 -1.816 6.278 -14.056 152 HG2 GLN 25 HG2 GLN 25 -3.295 7.879 -15.161 153 HG3 GLN 25 HG1 GLN 25 -1.892 8.679 -15.866 154 HE21 GLN 25 HE21 GLN 25 -1.088 7.933 -17.725 155 HE22 GLN 25 HE22 GLN 25 -1.609 6.494 -18.526 156 H ASP 26 HN ASP 26 -1.046 9.024 -10.815 157 HA ASP 26 HA ASP 26 -2.072 6.600 -9.548 158 HB2 ASP 26 HB2 ASP 26 0.503 7.903 -8.650 159 HB3 ASP 26 HB1 ASP 26 -0.203 6.403 -8.057 160 H ARG 27 HN ARG 27 -3.872 7.637 -8.821 161 HA ARG 27 HA ARG 27 -3.971 10.220 -7.747 162 HB2 ARG 27 HB2 ARG 27 -5.942 9.013 -8.548 163 HB3 ARG 27 HB1 ARG 27 -5.794 7.871 -7.220 164 HG2 ARG 27 HG2 ARG 27 -6.432 9.458 -5.628 165 HG3 ARG 27 HG1 ARG 27 -6.132 10.807 -6.725 166 HD2 ARG 27 HD2 ARG 27 -8.297 8.735 -7.065 167 HD3 ARG 27 HD1 ARG 27 -8.535 10.353 -6.405 168 HE ARG 27 HE ARG 27 -7.353 10.706 -8.869 169 HH11 ARG 27 HH11 ARG 27 -10.293 9.271 -7.652 170 HH12 ARG 27 HH12 ARG 27 -11.199 9.606 -9.089 171 HH21 ARG 27 HH21 ARG 27 -8.544 11.147 -10.760 172 HH22 ARG 27 HH22 ARG 27 -10.207 10.671 -10.854 173 H CYS 28 HN CYS 28 -2.833 7.287 -6.370 174 HA CYS 28 HA CYS 28 -3.029 8.379 -3.657 175 HB2 CYS 28 HB2 CYS 28 -1.942 5.652 -4.269 176 HB3 CYS 28 HB1 CYS 28 -2.763 6.221 -2.821 177 H CYS 29 HN CYS 29 -0.783 7.851 -6.210 178 HA CYS 29 HA CYS 29 1.451 8.467 -4.386 179 HB2 CYS 29 HB2 CYS 29 1.510 6.985 -7.020 180 HB3 CYS 29 HB1 CYS 29 2.926 7.400 -6.065 181 H ASN 30 HN ASN 30 2.517 10.320 -4.696 182 HA ASN 30 HA ASN 30 1.987 11.812 -7.180 183 HB2 ASN 30 HB2 ASN 30 1.096 12.866 -5.122 184 HB3 ASN 30 HB1 ASN 30 2.729 12.921 -4.466 185 HD21 ASN 30 HD21 ASN 30 3.447 14.916 -4.516 186 HD22 ASN 30 HD22 ASN 30 3.267 16.033 -5.821 187 H ALA 31 HN ALA 31 3.629 12.323 -8.463 188 HA ALA 31 HA ALA 31 6.259 11.349 -7.941 189 HB1 ALA 31 HB1 ALA 31 6.010 11.312 -10.176 190 HB2 ALA 31 HB2 ALA 31 6.569 12.979 -10.093 191 HB3 ALA 31 HB3 ALA 31 4.842 12.629 -10.171 192 H ALA 32 HN ALA 32 4.787 14.558 -8.054 193 HA ALA 32 HA ALA 32 7.034 16.147 -7.788 194 HB1 ALA 32 HB1 ALA 32 5.535 17.787 -7.717 195 HB2 ALA 32 HB2 ALA 32 4.835 17.177 -6.217 196 HB3 ALA 32 HB3 ALA 32 4.289 16.540 -7.769 197 H THR 33 HN THR 33 5.705 13.976 -5.489 198 HA THR 33 HA THR 33 7.410 15.152 -3.394 199 HB THR 33 HB THR 33 4.927 15.272 -2.960 200 HG1 THR 33 HG1 THR 33 5.416 15.113 -0.931 201 HG21 THR 33 HG21 THR 33 4.645 12.836 -3.930 202 HG22 THR 33 HG22 THR 33 3.596 13.454 -2.656 203 HG23 THR 33 HG23 THR 33 4.943 12.391 -2.251 204 H CYS 34 HN CYS 34 6.555 12.365 -5.234 205 HA CYS 34 HA CYS 34 7.428 10.278 -5.357 206 HB2 CYS 34 HB2 CYS 34 9.589 11.925 -4.414 207 HB3 CYS 34 HB1 CYS 34 9.672 10.362 -3.610 208 H LYS 35 HN LYS 35 5.456 10.925 -3.474 209 HA LYS 35 HA LYS 35 5.713 8.682 -1.678 210 HB2 LYS 35 HB2 LYS 35 5.319 11.423 -0.470 211 HB3 LYS 35 HB1 LYS 35 5.416 9.894 0.390 212 HG2 LYS 35 HG2 LYS 35 7.760 9.667 -0.406 213 HG3 LYS 35 HG1 LYS 35 7.632 11.289 -1.089 214 HD2 LYS 35 HD2 LYS 35 6.944 10.843 1.782 215 HD3 LYS 35 HD1 LYS 35 8.639 10.933 1.300 216 HE2 LYS 35 HE2 LYS 35 7.934 13.099 0.082 217 HE3 LYS 35 HE1 LYS 35 6.507 13.030 1.115 218 HZ1 LYS 35 HZ1 LYS 35 8.266 12.757 2.983 219 HZ2 LYS 35 HZ2 LYS 35 7.935 14.295 2.362 220 HZ3 LYS 35 HZ3 LYS 35 9.318 13.461 1.859 221 H LEU 36 HN LEU 36 3.686 8.743 -0.116 222 HA LEU 36 HA LEU 36 1.414 8.478 -1.702 223 HB2 LEU 36 HB2 LEU 36 1.897 8.666 1.237 224 HB3 LEU 36 HB1 LEU 36 0.247 8.741 0.650 225 HG LEU 36 HG LEU 36 1.598 6.517 -0.575 226 HD11 LEU 36 HD11 LEU 36 2.028 5.162 1.384 227 HD12 LEU 36 HD12 LEU 36 1.608 6.512 2.439 228 HD13 LEU 36 HD13 LEU 36 3.040 6.606 1.414 229 HD21 LEU 36 HD21 LEU 36 -0.695 6.716 1.371 230 HD22 LEU 36 HD22 LEU 36 -0.264 5.280 0.441 231 HD23 LEU 36 HD23 LEU 36 -0.808 6.738 -0.389 232 H THR 37 HN THR 37 -0.236 9.794 -2.276 233 HA THR 37 HA THR 37 0.136 12.571 -2.325 234 HB THR 37 HB THR 37 -2.511 12.391 -2.764 235 HG1 THR 37 HG1 THR 37 -3.168 10.424 -3.011 236 HG21 THR 37 HG21 THR 37 -0.324 11.545 -4.639 237 HG22 THR 37 HG22 THR 37 -1.081 13.131 -4.496 238 HG23 THR 37 HG23 THR 37 -2.003 11.768 -5.131 239 HA PRO 38 HA PRO 38 -1.421 14.196 1.452 240 HB2 PRO 38 HB2 PRO 38 -3.249 16.082 0.635 241 HB3 PRO 38 HB1 PRO 38 -1.500 16.325 0.630 242 HG2 PRO 38 HG2 PRO 38 -3.314 15.566 -1.623 243 HG3 PRO 38 HG1 PRO 38 -1.947 16.696 -1.616 244 HD2 PRO 38 HD2 PRO 38 -1.721 14.216 -2.622 245 HD3 PRO 38 HD1 PRO 38 -0.380 14.995 -1.757 246 H GLY 39 HN GLY 39 -2.645 12.946 2.716 247 HA2 GLY 39 HA2 GLY 39 -4.676 12.340 3.713 248 HA3 GLY 39 HA1 GLY 39 -5.521 12.887 2.273 249 H SER 40 HN SER 40 -2.798 10.794 1.880 250 HA SER 40 HA SER 40 -4.608 8.511 1.460 251 HB2 SER 40 HB2 SER 40 -2.226 9.202 -0.274 252 HB3 SER 40 HB1 SER 40 -3.354 7.869 -0.517 253 HG SER 40 HG SER 40 -4.274 9.324 -1.759 254 H GLN 41 HN GLN 41 -3.950 6.581 2.242 255 HA GLN 41 HA GLN 41 -1.318 6.511 3.563 256 HB2 GLN 41 HB2 GLN 41 -3.997 5.463 4.325 257 HB3 GLN 41 HB1 GLN 41 -2.592 4.516 4.795 258 HG2 GLN 41 HG2 GLN 41 -1.698 6.328 6.056 259 HG3 GLN 41 HG1 GLN 41 -2.918 7.436 5.430 260 HE21 GLN 41 HE21 GLN 41 -3.268 4.135 6.638 261 HE22 GLN 41 HE22 GLN 41 -4.341 4.532 7.933 262 H CYS 42 HN CYS 42 -3.360 5.000 1.228 263 HA CYS 42 HA CYS 42 -1.415 2.802 0.930 264 HB2 CYS 42 HB2 CYS 42 -3.071 1.336 0.463 265 HB3 CYS 42 HB1 CYS 42 -4.005 2.444 1.454 266 H ASN 43 HN ASN 43 -1.823 1.881 -1.445 267 HA ASN 43 HA ASN 43 -2.265 3.691 -3.554 268 HB2 ASN 43 HB2 ASN 43 0.220 3.620 -4.325 269 HB3 ASN 43 HB1 ASN 43 -0.273 4.827 -3.140 270 HD21 ASN 43 HD21 ASN 43 2.135 2.842 -3.874 271 HD22 ASN 43 HD22 ASN 43 2.743 2.467 -2.301 272 H TYR 44 HN TYR 44 -0.568 0.875 -2.371 273 HA TYR 44 HA TYR 44 -1.810 -0.822 -4.298 274 HB2 TYR 44 HB2 TYR 44 -0.069 -1.361 -5.681 275 HB3 TYR 44 HB1 TYR 44 0.415 0.287 -5.305 276 HD1 TYR 44 HD1 TYR 44 0.899 -3.217 -4.144 277 HD2 TYR 44 HD2 TYR 44 2.555 0.684 -4.487 278 HE1 TYR 44 HE1 TYR 44 3.035 -4.061 -3.297 279 HE2 TYR 44 HE2 TYR 44 4.709 -0.147 -3.644 280 HH TYR 44 HH TYR 44 5.498 -2.085 -2.206 281 H GLY 45 HN GLY 45 -2.005 -2.851 -3.474 282 HA2 GLY 45 HA2 GLY 45 -0.705 -4.577 -2.107 283 HA3 GLY 45 HA1 GLY 45 -0.690 -3.319 -0.880 284 H GLU 46 HN GLU 46 -1.731 -5.741 -0.256 285 HA GLU 46 HA GLU 46 -4.428 -6.198 -0.736 286 HB2 GLU 46 HB2 GLU 46 -2.545 -6.911 1.467 287 HB3 GLU 46 HB1 GLU 46 -4.258 -7.254 1.669 288 HG2 GLU 46 HG2 GLU 46 -2.974 -9.168 0.800 289 HG3 GLU 46 HG1 GLU 46 -4.271 -8.653 -0.277 290 H CYS 47 HN CYS 47 -2.936 -4.326 1.884 291 HA CYS 47 HA CYS 47 -5.414 -3.691 3.140 292 HB2 CYS 47 HB2 CYS 47 -2.569 -2.905 3.476 293 HB3 CYS 47 HB1 CYS 47 -3.793 -1.867 4.196 294 H CYS 48 HN CYS 48 -3.749 -2.310 0.447 295 HA CYS 48 HA CYS 48 -4.636 0.345 0.721 296 HB2 CYS 48 HB2 CYS 48 -2.791 -0.215 -0.750 297 HB3 CYS 48 HB1 CYS 48 -3.848 -1.215 -1.742 298 H ASP 49 HN ASP 49 -6.499 1.286 0.374 299 HA ASP 49 HA ASP 49 -8.402 0.279 -1.545 300 HB2 ASP 49 HB2 ASP 49 -10.259 0.113 0.058 301 HB3 ASP 49 HB1 ASP 49 -8.983 -1.035 0.449 302 H GLN 50 HN GLN 50 -8.689 2.105 -2.659 303 HA GLN 50 HA GLN 50 -9.301 4.234 -3.180 304 HB2 GLN 50 HB2 GLN 50 -11.029 3.540 -1.231 305 HB3 GLN 50 HB1 GLN 50 -10.233 4.898 -0.446 306 HG2 GLN 50 HG2 GLN 50 -10.718 6.106 -2.712 307 HG3 GLN 50 HG1 GLN 50 -11.946 4.851 -2.879 308 HE21 GLN 50 HE21 GLN 50 -13.543 6.482 -2.787 309 HE22 GLN 50 HE22 GLN 50 -14.008 7.188 -1.280 310 H CYS 51 HN CYS 51 -6.672 3.808 -2.445 311 HA CYS 51 HA CYS 51 -4.763 4.938 -1.943 312 HB2 CYS 51 HB2 CYS 51 -6.610 7.325 -1.782 313 HB3 CYS 51 HB1 CYS 51 -4.852 7.404 -1.795 314 H ARG 52 HN ARG 52 -6.767 3.953 0.189 315 HA ARG 52 HA ARG 52 -5.301 5.106 2.451 316 HB2 ARG 52 HB2 ARG 52 -8.289 4.916 2.151 317 HB3 ARG 52 HB1 ARG 52 -7.534 4.935 3.739 318 HG2 ARG 52 HG2 ARG 52 -6.337 7.074 2.655 319 HG3 ARG 52 HG1 ARG 52 -7.861 7.101 1.766 320 HD2 ARG 52 HD2 ARG 52 -8.051 8.450 3.765 321 HD3 ARG 52 HD1 ARG 52 -9.082 7.026 3.903 322 HE ARG 52 HE ARG 52 -6.482 6.673 5.068 323 HH11 ARG 52 HH11 ARG 52 -9.716 7.863 5.619 324 HH12 ARG 52 HH12 ARG 52 -9.624 7.684 7.339 325 HH21 ARG 52 HH21 ARG 52 -6.358 6.437 7.330 326 HH22 ARG 52 HH22 ARG 52 -7.717 6.875 8.311 327 H PHE 53 HN PHE 53 -4.839 3.665 4.088 328 HA PHE 53 HA PHE 53 -4.876 0.911 3.421 329 HB2 PHE 53 HB2 PHE 53 -4.104 2.424 5.904 330 HB3 PHE 53 HB1 PHE 53 -4.101 0.663 5.873 331 HD1 PHE 53 HD1 PHE 53 -3.162 0.333 3.010 332 HD2 PHE 53 HD2 PHE 53 -1.800 2.809 6.192 333 HE1 PHE 53 HE1 PHE 53 -0.920 0.358 2.022 334 HE2 PHE 53 HE2 PHE 53 0.453 2.838 5.206 335 HZ PHE 53 HZ PHE 53 0.898 1.611 3.117 336 H LYS 54 HN LYS 54 -6.095 -0.765 4.148 337 HA LYS 54 HA LYS 54 -8.756 -0.235 4.928 338 HB2 LYS 54 HB2 LYS 54 -7.133 -2.567 4.295 339 HB3 LYS 54 HB1 LYS 54 -8.258 -2.893 5.605 340 HG2 LYS 54 HG2 LYS 54 -10.118 -2.515 4.279 341 HG3 LYS 54 HG1 LYS 54 -9.206 -1.577 3.096 342 HD2 LYS 54 HD2 LYS 54 -8.204 -4.292 3.358 343 HD3 LYS 54 HD1 LYS 54 -9.906 -4.249 2.893 344 HE2 LYS 54 HE2 LYS 54 -8.042 -2.417 1.488 345 HE3 LYS 54 HE1 LYS 54 -7.939 -4.136 1.110 346 HZ1 LYS 54 HZ1 LYS 54 -9.463 -2.945 -0.364 347 HZ2 LYS 54 HZ2 LYS 54 -10.418 -2.507 0.961 348 HZ3 LYS 54 HZ3 LYS 54 -10.266 -4.136 0.531 349 H LYS 55 HN LYS 55 -9.151 0.710 6.831 350 HA LYS 55 HA LYS 55 -7.800 0.959 9.098 351 HB2 LYS 55 HB2 LYS 55 -10.075 1.836 8.758 352 HB3 LYS 55 HB1 LYS 55 -10.731 0.227 9.023 353 HG2 LYS 55 HG2 LYS 55 -11.001 0.976 11.121 354 HG3 LYS 55 HG1 LYS 55 -9.302 0.524 11.282 355 HD2 LYS 55 HD2 LYS 55 -9.062 3.026 10.280 356 HD3 LYS 55 HD1 LYS 55 -10.559 3.187 11.201 357 HE2 LYS 55 HE2 LYS 55 -9.121 3.636 12.888 358 HE3 LYS 55 HE1 LYS 55 -9.074 1.878 13.004 359 HZ1 LYS 55 HZ1 LYS 55 -6.866 3.070 12.965 360 HZ2 LYS 55 HZ2 LYS 55 -7.163 3.399 11.332 361 HZ3 LYS 55 HZ3 LYS 55 -7.043 1.797 11.863 362 H ALA 56 HN ALA 56 -6.893 -0.250 10.630 363 HA ALA 56 HA ALA 56 -6.489 -2.903 10.580 364 HB1 ALA 56 HB1 ALA 56 -5.254 -1.928 12.230 365 HB2 ALA 56 HB2 ALA 56 -6.496 -2.711 13.209 366 HB3 ALA 56 HB3 ALA 56 -6.614 -0.988 12.846 367 H GLY 57 HN GLY 57 -7.583 -4.718 10.899 368 HA2 GLY 57 HA2 GLY 57 -9.280 -5.921 12.233 369 HA3 GLY 57 HA1 GLY 57 -10.286 -4.483 12.093 370 H THR 58 HN THR 58 -9.039 -4.391 9.217 371 HA THR 58 HA THR 58 -11.257 -5.736 7.964 372 HB THR 58 HB THR 58 -8.871 -4.302 6.761 373 HG1 THR 58 HG1 THR 58 -10.428 -2.640 6.445 374 HG21 THR 58 HG21 THR 58 -10.992 -5.828 5.537 375 HG22 THR 58 HG22 THR 58 -9.534 -5.131 4.825 376 HG23 THR 58 HG23 THR 58 -10.987 -4.146 4.999 377 H VAL 59 HN VAL 59 -11.227 -7.854 7.547 378 HA VAL 59 HA VAL 59 -8.815 -9.365 7.673 379 HB VAL 59 HB VAL 59 -10.980 -10.283 8.421 380 HG11 VAL 59 HG11 VAL 59 -11.692 -10.565 5.512 381 HG12 VAL 59 HG12 VAL 59 -12.290 -9.257 6.532 382 HG13 VAL 59 HG13 VAL 59 -12.694 -10.930 6.918 383 HG21 VAL 59 HG21 VAL 59 -10.759 -12.479 6.998 384 HG22 VAL 59 HG22 VAL 59 -9.485 -11.994 8.117 385 HG23 VAL 59 HG23 VAL 59 -9.308 -11.680 6.391 386 H CYS 60 HN CYS 60 -7.405 -9.744 6.107 387 HA CYS 60 HA CYS 60 -8.274 -9.385 3.310 388 HB2 CYS 60 HB2 CYS 60 -5.423 -9.392 4.287 389 HB3 CYS 60 HB1 CYS 60 -6.032 -8.827 2.737 390 H ARG 61 HN ARG 61 -7.095 -11.687 5.571 391 HA ARG 61 HA ARG 61 -7.205 -13.775 3.559 392 HB2 ARG 61 HB2 ARG 61 -4.678 -12.799 4.729 393 HB3 ARG 61 HB1 ARG 61 -4.882 -14.544 4.758 394 HG2 ARG 61 HG2 ARG 61 -5.523 -14.208 2.245 395 HG3 ARG 61 HG1 ARG 61 -4.628 -12.701 2.435 396 HD2 ARG 61 HD2 ARG 61 -3.646 -15.524 2.725 397 HD3 ARG 61 HD1 ARG 61 -3.044 -14.254 1.664 398 HE ARG 61 HE ARG 61 -2.180 -14.790 4.300 399 HH11 ARG 61 HH11 ARG 61 -2.836 -12.131 2.132 400 HH12 ARG 61 HH12 ARG 61 -1.757 -11.046 2.942 401 HH21 ARG 61 HH21 ARG 61 -0.766 -13.365 5.362 402 HH22 ARG 61 HH22 ARG 61 -0.579 -11.747 4.773 403 H ILE 62 HN ILE 62 -7.207 -15.926 4.466 404 HA ILE 62 HA ILE 62 -7.355 -16.262 7.325 405 HB ILE 62 HB ILE 62 -9.790 -17.009 5.712 406 HG12 ILE 62 HG12 ILE 62 -10.884 -15.162 7.146 407 HG13 ILE 62 HG11 ILE 62 -9.248 -14.551 7.362 408 HG21 ILE 62 HG21 ILE 62 -8.931 -18.069 8.016 409 HG22 ILE 62 HG22 ILE 62 -10.637 -17.912 7.597 410 HG23 ILE 62 HG23 ILE 62 -9.873 -16.717 8.644 411 HD11 ILE 62 HD11 ILE 62 -9.487 -13.444 5.470 412 HD12 ILE 62 HD12 ILE 62 -11.037 -14.227 5.155 413 HD13 ILE 62 HD13 ILE 62 -9.537 -14.990 4.622 414 H ALA 63 HN ALA 63 -6.535 -18.180 7.792 415 HA ALA 63 HA ALA 63 -5.525 -19.936 5.905 416 HB1 ALA 63 HB1 ALA 63 -6.165 -21.306 8.372 417 HB2 ALA 63 HB2 ALA 63 -5.432 -19.728 8.665 418 HB3 ALA 63 HB3 ALA 63 -4.594 -20.920 7.671 419 H ARG 64 HN ARG 64 -8.267 -20.639 8.059 420 HA ARG 64 HA ARG 64 -10.145 -21.363 6.203 421 HB2 ARG 64 HB2 ARG 64 -8.054 -23.200 6.039 422 HB3 ARG 64 HB1 ARG 64 -9.282 -24.030 6.977 423 HG2 ARG 64 HG2 ARG 64 -9.873 -24.634 4.855 424 HG3 ARG 64 HG1 ARG 64 -10.877 -23.200 5.082 425 HD2 ARG 64 HD2 ARG 64 -9.448 -21.865 3.777 426 HD3 ARG 64 HD1 ARG 64 -8.143 -23.049 3.847 427 HE ARG 64 HE ARG 64 -10.236 -24.317 2.587 428 HH11 ARG 64 HH11 ARG 64 -8.304 -21.467 2.017 429 HH12 ARG 64 HH12 ARG 64 -8.453 -21.558 0.295 430 HH21 ARG 64 HH21 ARG 64 -10.433 -24.438 0.321 431 HH22 ARG 64 HH22 ARG 64 -9.662 -23.244 -0.669 432 H GLY 65 HN GLY 65 -10.988 -20.267 8.195 433 HA2 GLY 65 HA2 GLY 65 -12.840 -21.549 9.556 434 HA3 GLY 65 HA1 GLY 65 -11.423 -22.083 10.446 435 H ASP 66 HN ASP 66 -10.897 -20.940 12.156 436 HA ASP 66 HA ASP 66 -10.967 -18.097 12.241 437 HB2 ASP 66 HB2 ASP 66 -12.648 -17.882 14.057 438 HB3 ASP 66 HB1 ASP 66 -13.353 -18.432 12.540 439 H TRP 67 HN TRP 67 -8.799 -18.604 12.796 440 HA TRP 67 HA TRP 67 -8.456 -19.490 15.587 441 HB2 TRP 67 HB2 TRP 67 -5.985 -19.787 14.300 442 HB3 TRP 67 HB1 TRP 67 -7.082 -21.073 14.780 443 HD1 TRP 67 HD1 TRP 67 -6.633 -18.741 11.689 444 HE1 TRP 67 HE1 TRP 67 -7.187 -20.108 9.594 445 HE3 TRP 67 HE3 TRP 67 -7.938 -23.140 13.925 446 HZ2 TRP 67 HZ2 TRP 67 -8.052 -22.720 8.960 447 HZ3 TRP 67 HZ3 TRP 67 -8.616 -25.032 12.502 448 HH2 TRP 67 HH2 TRP 67 -8.672 -24.824 10.069 449 H ASN 68 HN ASN 68 -6.486 -17.858 13.152 450 HA ASN 68 HA ASN 68 -5.965 -15.690 15.079 451 HB2 ASN 68 HB2 ASN 68 -4.112 -16.256 12.799 452 HB3 ASN 68 HB1 ASN 68 -3.765 -15.521 14.360 453 HD21 ASN 68 HD21 ASN 68 -4.617 -18.569 12.807 454 HD22 ASN 68 HD22 ASN 68 -3.806 -19.585 13.945 455 H ASP 69 HN ASP 69 -6.433 -16.563 11.702 456 HA ASP 69 HA ASP 69 -7.316 -15.440 9.936 457 HB2 ASP 69 HB2 ASP 69 -8.376 -13.948 12.258 458 HB3 ASP 69 HB1 ASP 69 -8.435 -13.129 10.703 459 H ASP 70 HN ASP 70 -7.160 -13.421 8.675 460 HA ASP 70 HA ASP 70 -4.627 -12.059 9.258 461 HB2 ASP 70 HB2 ASP 70 -4.778 -13.449 7.135 462 HB3 ASP 70 HB1 ASP 70 -5.953 -12.277 6.563 463 H TYR 71 HN TYR 71 -4.724 -9.966 9.734 464 HA TYR 71 HA TYR 71 -7.043 -8.449 8.782 465 HB2 TYR 71 HB2 TYR 71 -6.143 -8.833 11.609 466 HB3 TYR 71 HB1 TYR 71 -7.027 -7.385 11.129 467 HD1 TYR 71 HD2 TYR 71 -9.233 -7.695 9.970 468 HD2 TYR 71 HD1 TYR 71 -7.304 -10.819 12.089 469 HE1 TYR 71 HE2 TYR 71 -11.374 -8.857 10.147 470 HE2 TYR 71 HE1 TYR 71 -9.431 -12.025 12.279 471 HH TYR 71 HH TYR 71 -12.282 -10.778 12.010 472 H CYS 72 HN CYS 72 -6.721 -6.392 8.278 473 HA CYS 72 HA CYS 72 -4.112 -5.451 7.813 474 HB2 CYS 72 HB2 CYS 72 -6.291 -4.768 6.648 475 HB3 CYS 72 HB1 CYS 72 -6.546 -3.688 8.015 476 H THR 73 HN THR 73 -3.178 -3.450 8.702 477 HA THR 73 HA THR 73 -3.774 -3.196 11.574 478 HB THR 73 HB THR 73 -1.398 -2.753 11.934 479 HG1 THR 73 HG1 THR 73 -1.171 -1.948 9.640 480 HG21 THR 73 HG21 THR 73 -2.438 -5.199 11.424 481 HG22 THR 73 HG22 THR 73 -0.789 -4.904 11.977 482 HG23 THR 73 HG23 THR 73 -1.115 -5.139 10.259 483 H GLY 74 HN GLY 74 -4.304 -1.605 8.841 484 HA2 GLY 74 HA2 GLY 74 -4.629 0.586 8.255 485 HA3 GLY 74 HA1 GLY 74 -4.867 0.853 9.974 486 H LYS 75 HN LYS 75 -1.820 -0.305 8.734 487 HA LYS 75 HA LYS 75 -0.681 2.387 9.033 488 HB2 LYS 75 HB2 LYS 75 1.180 1.553 10.307 489 HB3 LYS 75 HB1 LYS 75 -0.309 1.070 11.106 490 HG2 LYS 75 HG2 LYS 75 0.198 -1.085 10.946 491 HG3 LYS 75 HG1 LYS 75 0.596 -0.940 9.233 492 HD2 LYS 75 HD2 LYS 75 2.647 -1.523 10.057 493 HD3 LYS 75 HD1 LYS 75 2.759 0.232 10.202 494 HE2 LYS 75 HE2 LYS 75 1.751 -0.171 12.566 495 HE3 LYS 75 HE1 LYS 75 2.317 -1.823 12.329 496 HZ1 LYS 75 HZ1 LYS 75 4.525 -1.121 12.202 497 HZ2 LYS 75 HZ2 LYS 75 3.881 -0.211 13.475 498 HZ3 LYS 75 HZ3 LYS 75 4.107 0.501 11.957 499 H SER 76 HN SER 76 -0.679 -0.675 7.410 500 HA SER 76 HA SER 76 1.137 0.427 5.409 501 HB2 SER 76 HB2 SER 76 1.587 -2.407 6.272 502 HB3 SER 76 HB1 SER 76 2.690 -1.301 5.454 503 HG SER 76 HG SER 76 3.023 -0.231 7.363 504 H SER 77 HN SER 77 1.310 -1.216 3.515 505 HA SER 77 HA SER 77 -1.413 -1.834 2.726 506 HB2 SER 77 HB2 SER 77 0.725 -0.829 1.348 507 HB3 SER 77 HB1 SER 77 0.755 -2.523 0.859 508 HG SER 77 HG SER 77 -1.641 -1.032 0.822 509 H ASP 78 HN ASP 78 0.495 -3.468 4.625 510 HA ASP 78 HA ASP 78 0.148 -6.058 3.279 511 HB2 ASP 78 HB2 ASP 78 2.076 -5.071 5.353 512 HB3 ASP 78 HB1 ASP 78 1.714 -6.792 5.246 513 H CYS 79 HN CYS 79 -0.914 -7.725 4.270 514 HA CYS 79 HA CYS 79 -2.384 -7.075 6.745 515 HB2 CYS 79 HB2 CYS 79 -3.411 -7.662 4.173 516 HB3 CYS 79 HB1 CYS 79 -3.729 -9.076 5.171 517 HA PRO 80 HA PRO 80 0.016 -10.779 7.875 518 HB2 PRO 80 HB2 PRO 80 -0.243 -10.479 10.548 519 HB3 PRO 80 HB1 PRO 80 0.905 -9.528 9.599 520 HG2 PRO 80 HG2 PRO 80 -1.824 -8.769 10.578 521 HG3 PRO 80 HG1 PRO 80 -0.320 -7.828 10.619 522 HD2 PRO 80 HD2 PRO 80 -2.221 -7.446 8.731 523 HD3 PRO 80 HD1 PRO 80 -0.492 -7.219 8.402 524 H TRP 81 HN TRP 81 -0.817 -12.769 7.896 525 HA TRP 81 HA TRP 81 -3.583 -13.179 8.651 526 HB2 TRP 81 HB2 TRP 81 -3.245 -15.483 7.759 527 HB3 TRP 81 HB1 TRP 81 -3.016 -14.189 6.597 528 HD1 TRP 81 HD1 TRP 81 0.118 -14.169 8.428 529 HE1 TRP 81 HE1 TRP 81 1.899 -15.584 7.226 530 HE3 TRP 81 HE3 TRP 81 -2.926 -16.770 5.313 531 HZ2 TRP 81 HZ2 TRP 81 1.980 -17.557 5.202 532 HZ3 TRP 81 HZ3 TRP 81 -1.940 -18.418 3.764 533 HH2 TRP 81 HH2 TRP 81 0.472 -18.803 3.716 534 H ASN 82 HN ASN 82 -0.548 -13.641 10.018 535 HA ASN 82 HA ASN 82 0.193 -14.541 11.969 536 HB2 ASN 82 HB2 ASN 82 -2.755 -14.335 12.595 537 HB3 ASN 82 HB1 ASN 82 -1.549 -14.821 13.782 538 HD21 ASN 82 HD21 ASN 82 -2.251 -12.243 11.458 539 HD22 ASN 82 HD22 ASN 82 -1.636 -10.958 12.435 540 H HIS 83 HN HIS 83 0.487 -16.407 10.320 541 HA HIS 83 HA HIS 83 -0.632 -18.806 11.574 542 HB2 HIS 83 HB2 HIS 83 -0.499 -18.363 8.583 543 HB3 HIS 83 HB1 HIS 83 -0.985 -19.857 9.377 544 HD1 HIS 83 HD1 HIS 83 -2.673 -17.756 7.481 545 HD2 HIS 83 HD2 HIS 83 -3.091 -18.505 11.544 546 HE1 HIS 83 HE1 HIS 83 -5.017 -17.058 8.054 547 HE2 HIS 83 HE2 HIS 83 -5.288 -17.640 10.491 Start of MODEL 16 1 H1 SER 1 HT1 SER 1 10.814 -3.981 -11.704 2 H2 SER 1 HT2 SER 1 10.642 -2.940 -10.350 3 H3 SER 1 HT3 SER 1 11.750 -4.250 -10.293 4 HA SER 1 HA SER 1 13.010 -3.246 -12.070 5 HB2 SER 1 HB2 SER 1 10.669 -1.467 -12.002 6 HB3 SER 1 HB1 SER 1 12.212 -0.617 -12.093 7 HG SER 1 HG SER 1 10.953 -1.645 -14.082 8 HA PRO 2 HA PRO 2 15.677 -1.645 -8.964 9 HB2 PRO 2 HB2 PRO 2 16.231 0.706 -10.704 10 HB3 PRO 2 HB1 PRO 2 17.357 -0.440 -9.969 11 HG2 PRO 2 HG2 PRO 2 16.799 -0.564 -12.569 12 HG3 PRO 2 HG1 PRO 2 17.005 -2.042 -11.609 13 HD2 PRO 2 HD2 PRO 2 14.498 -0.763 -12.610 14 HD3 PRO 2 HD1 PRO 2 14.904 -2.485 -12.455 15 HA PRO 3 HA PRO 3 13.604 1.659 -6.847 16 HB2 PRO 3 HB2 PRO 3 15.770 2.321 -5.163 17 HB3 PRO 3 HB1 PRO 3 14.530 1.105 -4.859 18 HG2 PRO 3 HG2 PRO 3 17.253 0.614 -5.295 19 HG3 PRO 3 HG1 PRO 3 15.955 -0.589 -5.334 20 HD2 PRO 3 HD2 PRO 3 17.309 0.818 -7.588 21 HD3 PRO 3 HD1 PRO 3 16.674 -0.840 -7.507 22 H VAL 4 HN VAL 4 13.551 3.144 -8.693 23 HA VAL 4 HA VAL 4 15.482 5.353 -8.385 24 HB VAL 4 HB VAL 4 14.604 5.803 -10.871 25 HG11 VAL 4 HG11 VAL 4 16.914 5.733 -10.358 26 HG12 VAL 4 HG12 VAL 4 16.655 4.561 -11.649 27 HG13 VAL 4 HG13 VAL 4 16.851 4.010 -9.985 28 HG21 VAL 4 HG21 VAL 4 14.203 3.868 -12.128 29 HG22 VAL 4 HG22 VAL 4 13.226 3.652 -10.675 30 HG23 VAL 4 HG23 VAL 4 14.764 2.806 -10.838 31 H CYS 5 HN CYS 5 14.580 7.062 -7.480 32 HA CYS 5 HA CYS 5 11.716 7.470 -7.566 33 HB2 CYS 5 HB2 CYS 5 13.940 8.431 -5.967 34 HB3 CYS 5 HB1 CYS 5 12.949 9.778 -6.512 35 H GLY 6 HN GLY 6 10.916 8.180 -9.435 36 HA2 GLY 6 HA2 GLY 6 10.529 10.153 -10.806 37 HA3 GLY 6 HA1 GLY 6 12.260 10.470 -10.720 38 H ASN 7 HN ASN 7 10.988 7.277 -11.130 39 HA ASN 7 HA ASN 7 11.802 7.261 -13.956 40 HB2 ASN 7 HB2 ASN 7 12.645 5.520 -11.691 41 HB3 ASN 7 HB1 ASN 7 12.334 4.722 -13.232 42 HD21 ASN 7 HD21 ASN 7 14.165 4.365 -14.242 43 HD22 ASN 7 HD22 ASN 7 15.492 5.464 -14.370 44 H LYS 8 HN LYS 8 9.292 7.111 -11.960 45 HA LYS 8 HA LYS 8 7.145 6.469 -12.241 46 HB2 LYS 8 HB2 LYS 8 7.943 4.871 -14.670 47 HB3 LYS 8 HB1 LYS 8 6.359 5.522 -14.275 48 HG2 LYS 8 HG2 LYS 8 6.884 7.620 -14.989 49 HG3 LYS 8 HG1 LYS 8 8.601 7.436 -14.625 50 HD2 LYS 8 HD2 LYS 8 9.021 6.269 -16.593 51 HD3 LYS 8 HD1 LYS 8 7.326 5.821 -16.802 52 HE2 LYS 8 HE2 LYS 8 6.873 8.303 -17.121 53 HE3 LYS 8 HE1 LYS 8 8.620 8.497 -17.259 54 HZ1 LYS 8 HZ1 LYS 8 7.395 6.445 -18.924 55 HZ2 LYS 8 HZ2 LYS 8 8.663 7.508 -19.274 56 HZ3 LYS 8 HZ3 LYS 8 7.062 8.051 -19.341 57 H ILE 9 HN ILE 9 9.400 4.872 -10.987 58 HA ILE 9 HA ILE 9 7.910 2.345 -10.752 59 HB ILE 9 HB ILE 9 10.627 1.947 -9.965 60 HG12 ILE 9 HG12 ILE 9 10.312 3.016 -12.778 61 HG13 ILE 9 HG11 ILE 9 11.211 3.783 -11.470 62 HG21 ILE 9 HG21 ILE 9 10.252 0.473 -12.239 63 HG22 ILE 9 HG22 ILE 9 8.604 0.734 -11.668 64 HG23 ILE 9 HG23 ILE 9 9.798 -0.012 -10.605 65 HD11 ILE 9 HD11 ILE 9 12.762 2.706 -12.916 66 HD12 ILE 9 HD12 ILE 9 11.858 1.193 -12.850 67 HD13 ILE 9 HD13 ILE 9 12.690 1.787 -11.412 68 H LEU 10 HN LEU 10 6.935 2.429 -8.832 69 HA LEU 10 HA LEU 10 7.920 3.926 -6.619 70 HB2 LEU 10 HB2 LEU 10 6.094 2.899 -5.364 71 HB3 LEU 10 HB1 LEU 10 5.533 3.499 -6.913 72 HG LEU 10 HG LEU 10 6.317 0.630 -6.726 73 HD11 LEU 10 HD11 LEU 10 4.661 1.579 -4.808 74 HD12 LEU 10 HD12 LEU 10 4.590 -0.054 -5.470 75 HD13 LEU 10 HD13 LEU 10 3.510 1.196 -6.088 76 HD21 LEU 10 HD21 LEU 10 4.017 0.781 -8.134 77 HD22 LEU 10 HD22 LEU 10 5.626 0.943 -8.840 78 HD23 LEU 10 HD23 LEU 10 4.691 2.383 -8.435 79 H GLU 11 HN GLU 11 10.097 2.722 -7.074 80 HA GLU 11 HA GLU 11 10.222 0.356 -5.331 81 HB2 GLU 11 HB2 GLU 11 11.958 1.102 -7.683 82 HB3 GLU 11 HB1 GLU 11 12.258 -0.266 -6.619 83 HG2 GLU 11 HG2 GLU 11 9.612 -0.038 -7.949 84 HG3 GLU 11 HG1 GLU 11 11.004 -0.551 -8.902 85 H GLN 12 HN GLN 12 11.849 3.339 -6.322 86 HA GLN 12 HA GLN 12 13.973 3.159 -4.451 87 HB2 GLN 12 HB2 GLN 12 13.552 4.739 -6.539 88 HB3 GLN 12 HB1 GLN 12 12.949 5.825 -5.298 89 HG2 GLN 12 HG2 GLN 12 15.602 4.540 -4.912 90 HG3 GLN 12 HG1 GLN 12 15.455 5.885 -6.042 91 HE21 GLN 12 HE21 GLN 12 14.834 4.913 -2.711 92 HE22 GLN 12 HE22 GLN 12 15.003 6.491 -2.028 93 H GLY 13 HN GLY 13 12.309 2.369 -2.740 94 HA2 GLY 13 HA2 GLY 13 11.026 2.744 -0.850 95 HA3 GLY 13 HA1 GLY 13 12.371 3.811 -0.496 96 H GLU 14 HN GLU 14 9.859 4.256 -2.972 97 HA GLU 14 HA GLU 14 9.237 6.817 -1.706 98 HB2 GLU 14 HB2 GLU 14 8.000 7.273 -3.856 99 HB3 GLU 14 HB1 GLU 14 9.739 7.085 -3.998 100 HG2 GLU 14 HG2 GLU 14 8.513 4.542 -4.359 101 HG3 GLU 14 HG1 GLU 14 7.709 5.720 -5.392 102 H ASP 15 HN ASP 15 7.551 3.957 -2.978 103 HA ASP 15 HA ASP 15 5.566 2.999 -2.390 104 HB2 ASP 15 HB2 ASP 15 6.443 3.978 -0.020 105 HB3 ASP 15 HB1 ASP 15 4.954 4.899 -0.202 106 H CYS 16 HN CYS 16 5.972 5.691 -3.878 107 HA CYS 16 HA CYS 16 3.579 6.006 -5.082 108 HB2 CYS 16 HB2 CYS 16 3.481 7.143 -2.405 109 HB3 CYS 16 HB1 CYS 16 3.126 8.342 -3.641 110 H ASP 17 HN ASP 17 5.335 6.334 -6.578 111 HA ASP 17 HA ASP 17 6.278 9.124 -6.594 112 HB2 ASP 17 HB2 ASP 17 8.126 7.600 -6.101 113 HB3 ASP 17 HB1 ASP 17 7.753 6.664 -7.545 114 H CYS 18 HN CYS 18 6.800 9.969 -8.717 115 HA CYS 18 HA CYS 18 5.232 8.761 -10.895 116 HB2 CYS 18 HB2 CYS 18 5.276 11.618 -9.950 117 HB3 CYS 18 HB1 CYS 18 4.835 11.213 -11.601 118 H GLY 19 HN GLY 19 6.101 9.006 -12.979 119 HA2 GLY 19 HA2 GLY 19 8.838 8.967 -13.293 120 HA3 GLY 19 HA1 GLY 19 7.715 9.387 -14.578 121 H SER 20 HN SER 20 6.702 11.749 -13.905 122 HA SER 20 HA SER 20 8.932 13.528 -13.247 123 HB2 SER 20 HB2 SER 20 7.511 13.348 -15.849 124 HB3 SER 20 HB1 SER 20 7.832 14.970 -15.236 125 HG SER 20 HG SER 20 9.671 12.925 -15.870 126 HA PRO 21 HA PRO 21 5.936 15.388 -10.529 127 HB2 PRO 21 HB2 PRO 21 7.382 17.865 -11.379 128 HB3 PRO 21 HB1 PRO 21 6.930 17.329 -9.756 129 HG2 PRO 21 HG2 PRO 21 9.435 17.074 -10.625 130 HG3 PRO 21 HG1 PRO 21 8.684 15.823 -9.618 131 HD2 PRO 21 HD2 PRO 21 9.299 15.797 -12.524 132 HD3 PRO 21 HD1 PRO 21 9.219 14.451 -11.370 133 H ALA 22 HN ALA 22 6.586 16.603 -13.762 134 HA ALA 22 HA ALA 22 4.128 18.140 -13.846 135 HB1 ALA 22 HB1 ALA 22 4.828 18.610 -16.196 136 HB2 ALA 22 HB2 ALA 22 6.258 17.618 -15.912 137 HB3 ALA 22 HB3 ALA 22 6.007 19.092 -14.976 138 H ASN 23 HN ASN 23 5.300 15.020 -14.826 139 HA ASN 23 HA ASN 23 2.792 14.504 -16.271 140 HB2 ASN 23 HB2 ASN 23 5.299 12.819 -16.327 141 HB3 ASN 23 HB1 ASN 23 3.910 12.707 -17.403 142 HD21 ASN 23 HD21 ASN 23 3.547 14.414 -18.903 143 HD22 ASN 23 HD22 ASN 23 4.863 15.391 -19.450 144 H CYS 24 HN CYS 24 3.336 14.482 -13.305 145 HA CYS 24 HA CYS 24 3.286 11.804 -12.406 146 HB2 CYS 24 HB2 CYS 24 3.968 13.667 -10.964 147 HB3 CYS 24 HB1 CYS 24 2.332 14.316 -11.024 148 H GLN 25 HN GLN 25 1.716 10.799 -13.712 149 HA GLN 25 HA GLN 25 -1.041 11.646 -13.546 150 HB2 GLN 25 HB2 GLN 25 -1.507 9.737 -14.993 151 HB3 GLN 25 HB1 GLN 25 -0.159 10.675 -15.622 152 HG2 GLN 25 HG2 GLN 25 1.204 8.891 -14.178 153 HG3 GLN 25 HG1 GLN 25 -0.225 7.928 -14.548 154 HE21 GLN 25 HE21 GLN 25 0.793 6.524 -15.918 155 HE22 GLN 25 HE22 GLN 25 1.414 6.987 -17.463 156 H ASP 26 HN ASP 26 -0.252 11.247 -11.007 157 HA ASP 26 HA ASP 26 -1.885 8.977 -10.208 158 HB2 ASP 26 HB2 ASP 26 0.864 9.378 -9.016 159 HB3 ASP 26 HB1 ASP 26 -0.260 8.061 -8.692 160 H ARG 27 HN ARG 27 -3.413 10.328 -9.363 161 HA ARG 27 HA ARG 27 -2.879 12.625 -7.829 162 HB2 ARG 27 HB2 ARG 27 -5.229 12.616 -7.289 163 HB3 ARG 27 HB1 ARG 27 -5.024 12.161 -8.975 164 HG2 ARG 27 HG2 ARG 27 -5.169 9.748 -8.172 165 HG3 ARG 27 HG1 ARG 27 -5.758 10.418 -6.649 166 HD2 ARG 27 HD2 ARG 27 -7.730 11.123 -7.562 167 HD3 ARG 27 HD1 ARG 27 -7.032 11.348 -9.165 168 HE ARG 27 HE ARG 27 -8.302 8.999 -8.161 169 HH11 ARG 27 HH11 ARG 27 -5.827 10.131 -10.345 170 HH12 ARG 27 HH12 ARG 27 -5.923 8.742 -11.374 171 HH21 ARG 27 HH21 ARG 27 -8.430 7.170 -9.513 172 HH22 ARG 27 HH22 ARG 27 -7.402 7.061 -10.902 173 H CYS 28 HN CYS 28 -2.819 9.285 -7.015 174 HA CYS 28 HA CYS 28 -2.993 9.863 -4.152 175 HB2 CYS 28 HB2 CYS 28 -2.976 7.266 -5.694 176 HB3 CYS 28 HB1 CYS 28 -2.935 7.348 -3.936 177 H CYS 29 HN CYS 29 -0.649 9.651 -6.530 178 HA CYS 29 HA CYS 29 1.430 9.213 -4.503 179 HB2 CYS 29 HB2 CYS 29 1.383 8.013 -7.278 180 HB3 CYS 29 HB1 CYS 29 2.771 7.977 -6.198 181 H ASN 30 HN ASN 30 2.864 10.829 -4.457 182 HA ASN 30 HA ASN 30 3.031 12.591 -6.815 183 HB2 ASN 30 HB2 ASN 30 2.110 13.765 -4.923 184 HB3 ASN 30 HB1 ASN 30 3.416 13.213 -3.883 185 HD21 ASN 30 HD21 ASN 30 4.539 14.946 -3.354 186 HD22 ASN 30 HD22 ASN 30 5.137 16.138 -4.451 187 H ALA 31 HN ALA 31 4.915 12.929 -7.783 188 HA ALA 31 HA ALA 31 7.185 11.325 -7.122 189 HB1 ALA 31 HB1 ALA 31 6.445 13.228 -9.263 190 HB2 ALA 31 HB2 ALA 31 7.157 11.621 -9.372 191 HB3 ALA 31 HB3 ALA 31 8.168 13.004 -8.965 192 H ALA 32 HN ALA 32 6.420 14.769 -6.936 193 HA ALA 32 HA ALA 32 8.884 15.775 -6.167 194 HB1 ALA 32 HB1 ALA 32 6.828 17.146 -4.729 195 HB2 ALA 32 HB2 ALA 32 6.243 16.733 -6.340 196 HB3 ALA 32 HB3 ALA 32 7.727 17.667 -6.155 197 H THR 33 HN THR 33 6.761 13.733 -4.405 198 HA THR 33 HA THR 33 8.326 14.203 -1.954 199 HB THR 33 HB THR 33 5.878 14.811 -1.823 200 HG1 THR 33 HG1 THR 33 6.686 12.666 -0.159 201 HG21 THR 33 HG21 THR 33 4.181 13.263 -1.905 202 HG22 THR 33 HG22 THR 33 5.272 11.894 -1.683 203 HG23 THR 33 HG23 THR 33 5.215 12.735 -3.232 204 H CYS 34 HN CYS 34 7.267 11.962 -4.339 205 HA CYS 34 HA CYS 34 7.622 9.749 -4.664 206 HB2 CYS 34 HB2 CYS 34 9.939 10.617 -3.012 207 HB3 CYS 34 HB1 CYS 34 9.662 8.883 -3.129 208 H LYS 35 HN LYS 35 5.605 10.418 -2.968 209 HA LYS 35 HA LYS 35 5.244 8.027 -1.465 210 HB2 LYS 35 HB2 LYS 35 6.345 8.722 0.384 211 HB3 LYS 35 HB1 LYS 35 6.314 10.404 -0.110 212 HG2 LYS 35 HG2 LYS 35 5.062 10.531 1.775 213 HG3 LYS 35 HG1 LYS 35 3.776 10.207 0.616 214 HD2 LYS 35 HD2 LYS 35 4.266 7.711 1.178 215 HD3 LYS 35 HD1 LYS 35 5.034 8.376 2.620 216 HE2 LYS 35 HE2 LYS 35 2.358 9.436 1.991 217 HE3 LYS 35 HE1 LYS 35 2.416 7.737 2.458 218 HZ1 LYS 35 HZ1 LYS 35 3.319 10.084 4.021 219 HZ2 LYS 35 HZ2 LYS 35 3.761 8.503 4.426 220 HZ3 LYS 35 HZ3 LYS 35 2.131 8.952 4.431 221 H LEU 36 HN LEU 36 3.119 7.996 -0.354 222 HA LEU 36 HA LEU 36 1.045 8.773 -1.970 223 HB2 LEU 36 HB2 LEU 36 0.970 8.379 1.020 224 HB3 LEU 36 HB1 LEU 36 -0.434 8.403 -0.027 225 HG LEU 36 HG LEU 36 1.562 6.446 -0.871 226 HD11 LEU 36 HD11 LEU 36 0.420 6.320 1.900 227 HD12 LEU 36 HD12 LEU 36 2.091 6.094 1.382 228 HD13 LEU 36 HD13 LEU 36 0.878 4.869 1.009 229 HD21 LEU 36 HD21 LEU 36 -0.633 6.452 -1.817 230 HD22 LEU 36 HD22 LEU 36 -1.378 6.371 -0.220 231 HD23 LEU 36 HD23 LEU 36 -0.466 4.994 -0.839 232 H THR 37 HN THR 37 -0.358 10.473 -2.109 233 HA THR 37 HA THR 37 0.551 12.965 -0.888 234 HB THR 37 HB THR 37 -0.611 14.103 -2.583 235 HG1 THR 37 HG1 THR 37 -2.607 13.213 -2.542 236 HG21 THR 37 HG21 THR 37 1.280 12.581 -3.416 237 HG22 THR 37 HG22 THR 37 0.175 13.283 -4.598 238 HG23 THR 37 HG23 THR 37 -0.016 11.601 -4.103 239 HA PRO 38 HA PRO 38 -2.652 13.594 2.058 240 HB2 PRO 38 HB2 PRO 38 -3.600 15.954 0.506 241 HB3 PRO 38 HB1 PRO 38 -3.145 15.837 2.210 242 HG2 PRO 38 HG2 PRO 38 -1.514 16.986 0.448 243 HG3 PRO 38 HG1 PRO 38 -0.874 15.965 1.749 244 HD2 PRO 38 HD2 PRO 38 -1.211 15.352 -1.154 245 HD3 PRO 38 HD1 PRO 38 0.074 14.852 -0.035 246 H GLY 39 HN GLY 39 -4.302 12.196 2.063 247 HA2 GLY 39 HA2 GLY 39 -6.743 12.123 1.613 248 HA3 GLY 39 HA1 GLY 39 -6.340 12.458 -0.064 249 H SER 40 HN SER 40 -3.981 10.650 0.079 250 HA SER 40 HA SER 40 -5.427 8.084 0.053 251 HB2 SER 40 HB2 SER 40 -4.938 8.656 -2.222 252 HB3 SER 40 HB1 SER 40 -3.280 9.099 -1.817 253 HG SER 40 HG SER 40 -2.722 7.072 -1.918 254 H GLN 41 HN GLN 41 -4.561 6.432 1.171 255 HA GLN 41 HA GLN 41 -1.926 6.881 2.409 256 HB2 GLN 41 HB2 GLN 41 -4.434 5.597 3.431 257 HB3 GLN 41 HB1 GLN 41 -2.876 5.136 4.101 258 HG2 GLN 41 HG2 GLN 41 -3.492 8.028 3.926 259 HG3 GLN 41 HG1 GLN 41 -4.352 7.074 5.134 260 HE21 GLN 41 HE21 GLN 41 -1.129 7.877 3.947 261 HE22 GLN 41 HE22 GLN 41 -0.327 7.693 5.466 262 H CYS 42 HN CYS 42 -3.917 4.659 0.613 263 HA CYS 42 HA CYS 42 -1.630 2.802 0.446 264 HB2 CYS 42 HB2 CYS 42 -3.919 2.144 1.660 265 HB3 CYS 42 HB1 CYS 42 -4.352 1.741 0.002 266 H ASN 43 HN ASN 43 -0.772 2.915 -1.512 267 HA ASN 43 HA ASN 43 -2.541 3.406 -3.810 268 HB2 ASN 43 HB2 ASN 43 -0.608 4.230 -4.989 269 HB3 ASN 43 HB1 ASN 43 -0.678 5.020 -3.416 270 HD21 ASN 43 HD21 ASN 43 1.383 3.771 -5.548 271 HD22 ASN 43 HD22 ASN 43 2.642 3.225 -4.499 272 H TYR 44 HN TYR 44 -0.768 0.990 -2.261 273 HA TYR 44 HA TYR 44 -1.374 -0.931 -4.267 274 HB2 TYR 44 HB2 TYR 44 0.655 -1.362 -5.245 275 HB3 TYR 44 HB1 TYR 44 0.856 0.363 -4.957 276 HD1 TYR 44 HD1 TYR 44 1.574 -2.965 -3.482 277 HD2 TYR 44 HD2 TYR 44 2.664 1.138 -3.696 278 HE1 TYR 44 HE1 TYR 44 3.573 -3.441 -2.159 279 HE2 TYR 44 HE2 TYR 44 4.683 0.679 -2.374 280 HH TYR 44 HH TYR 44 5.139 -2.135 -0.635 281 H GLY 45 HN GLY 45 -1.476 -2.931 -3.377 282 HA2 GLY 45 HA2 GLY 45 -0.391 -4.492 -1.721 283 HA3 GLY 45 HA1 GLY 45 -0.571 -3.168 -0.579 284 H GLU 46 HN GLU 46 -1.657 -5.603 0.034 285 HA GLU 46 HA GLU 46 -4.282 -6.055 -0.815 286 HB2 GLU 46 HB2 GLU 46 -2.759 -6.787 1.665 287 HB3 GLU 46 HB1 GLU 46 -4.444 -7.247 1.460 288 HG2 GLU 46 HG2 GLU 46 -2.804 -9.006 0.825 289 HG3 GLU 46 HG1 GLU 46 -3.938 -8.568 -0.452 290 H CYS 47 HN CYS 47 -3.052 -4.098 1.861 291 HA CYS 47 HA CYS 47 -5.552 -3.597 3.059 292 HB2 CYS 47 HB2 CYS 47 -2.886 -2.995 3.604 293 HB3 CYS 47 HB1 CYS 47 -3.675 -1.430 3.449 294 H CYS 48 HN CYS 48 -4.139 -2.224 0.221 295 HA CYS 48 HA CYS 48 -5.392 0.295 0.373 296 HB2 CYS 48 HB2 CYS 48 -4.679 -1.032 -2.220 297 HB3 CYS 48 HB1 CYS 48 -4.648 0.679 -1.806 298 H ASP 49 HN ASP 49 -7.237 1.070 -0.226 299 HA ASP 49 HA ASP 49 -9.080 -0.272 -1.966 300 HB2 ASP 49 HB2 ASP 49 -9.317 -1.202 0.509 301 HB3 ASP 49 HB1 ASP 49 -10.201 0.301 0.749 302 H GLN 50 HN GLN 50 -9.424 1.480 -3.217 303 HA GLN 50 HA GLN 50 -10.115 3.557 -3.862 304 HB2 GLN 50 HB2 GLN 50 -12.018 3.041 -2.270 305 HB3 GLN 50 HB1 GLN 50 -11.129 3.926 -1.038 306 HG2 GLN 50 HG2 GLN 50 -12.279 5.695 -1.743 307 HG3 GLN 50 HG1 GLN 50 -11.156 5.708 -3.102 308 HE21 GLN 50 HE21 GLN 50 -14.285 4.497 -2.026 309 HE22 GLN 50 HE22 GLN 50 -15.002 4.426 -3.596 310 H CYS 51 HN CYS 51 -7.513 3.061 -2.825 311 HA CYS 51 HA CYS 51 -5.602 4.172 -2.370 312 HB2 CYS 51 HB2 CYS 51 -7.441 6.453 -2.929 313 HB3 CYS 51 HB1 CYS 51 -5.870 6.791 -2.208 314 H ARG 52 HN ARG 52 -7.450 3.258 -0.262 315 HA ARG 52 HA ARG 52 -6.267 4.801 1.939 316 HB2 ARG 52 HB2 ARG 52 -9.170 4.017 1.668 317 HB3 ARG 52 HB1 ARG 52 -8.443 4.488 3.198 318 HG2 ARG 52 HG2 ARG 52 -7.710 6.546 1.554 319 HG3 ARG 52 HG1 ARG 52 -9.314 6.127 0.947 320 HD2 ARG 52 HD2 ARG 52 -9.354 7.854 2.724 321 HD3 ARG 52 HD1 ARG 52 -10.272 6.406 3.134 322 HE ARG 52 HE ARG 52 -7.566 6.374 4.104 323 HH11 ARG 52 HH11 ARG 52 -10.836 7.391 4.779 324 HH12 ARG 52 HH12 ARG 52 -10.600 7.438 6.494 325 HH21 ARG 52 HH21 ARG 52 -7.254 6.436 6.359 326 HH22 ARG 52 HH22 ARG 52 -8.566 6.897 7.391 327 H PHE 53 HN PHE 53 -5.960 3.599 3.895 328 HA PHE 53 HA PHE 53 -5.347 0.850 3.424 329 HB2 PHE 53 HB2 PHE 53 -5.233 2.551 5.915 330 HB3 PHE 53 HB1 PHE 53 -4.798 0.842 5.909 331 HD1 PHE 53 HD2 PHE 53 -3.480 0.725 3.235 332 HD2 PHE 53 HD1 PHE 53 -3.160 3.543 6.401 333 HE1 PHE 53 HE2 PHE 53 -1.228 1.285 2.490 334 HE2 PHE 53 HE1 PHE 53 -0.884 4.115 5.661 335 HZ PHE 53 HZ PHE 53 0.092 2.985 3.700 336 H LYS 54 HN LYS 54 -6.342 -0.961 4.066 337 HA LYS 54 HA LYS 54 -9.135 -0.868 4.552 338 HB2 LYS 54 HB2 LYS 54 -7.130 -3.112 4.781 339 HB3 LYS 54 HB1 LYS 54 -8.853 -3.341 5.035 340 HG2 LYS 54 HG2 LYS 54 -8.345 -1.979 2.549 341 HG3 LYS 54 HG1 LYS 54 -7.463 -3.503 2.637 342 HD2 LYS 54 HD2 LYS 54 -9.397 -4.761 2.814 343 HD3 LYS 54 HD1 LYS 54 -10.349 -3.399 3.408 344 HE2 LYS 54 HE2 LYS 54 -10.738 -2.585 1.318 345 HE3 LYS 54 HE1 LYS 54 -9.205 -3.183 0.682 346 HZ1 LYS 54 HZ1 LYS 54 -11.537 -4.278 0.089 347 HZ2 LYS 54 HZ2 LYS 54 -11.162 -5.193 1.461 348 HZ3 LYS 54 HZ3 LYS 54 -10.099 -5.169 0.146 349 H LYS 55 HN LYS 55 -9.838 0.061 6.380 350 HA LYS 55 HA LYS 55 -8.774 0.526 8.760 351 HB2 LYS 55 HB2 LYS 55 -11.108 1.053 8.181 352 HB3 LYS 55 HB1 LYS 55 -11.544 -0.634 8.418 353 HG2 LYS 55 HG2 LYS 55 -11.509 -0.473 10.673 354 HG3 LYS 55 HG1 LYS 55 -10.209 0.720 10.679 355 HD2 LYS 55 HD2 LYS 55 -12.180 2.150 9.512 356 HD3 LYS 55 HD1 LYS 55 -13.131 1.095 10.560 357 HE2 LYS 55 HE2 LYS 55 -10.970 3.037 11.334 358 HE3 LYS 55 HE1 LYS 55 -12.663 3.038 11.824 359 HZ1 LYS 55 HZ1 LYS 55 -11.413 2.217 13.634 360 HZ2 LYS 55 HZ2 LYS 55 -10.543 1.143 12.660 361 HZ3 LYS 55 HZ3 LYS 55 -12.186 0.874 12.955 362 H ALA 56 HN ALA 56 -7.870 -0.519 10.406 363 HA ALA 56 HA ALA 56 -7.078 -3.090 10.439 364 HB1 ALA 56 HB1 ALA 56 -6.135 -1.933 12.161 365 HB2 ALA 56 HB2 ALA 56 -7.339 -2.859 13.059 366 HB3 ALA 56 HB3 ALA 56 -7.657 -1.176 12.634 367 H GLY 57 HN GLY 57 -7.979 -5.031 10.603 368 HA2 GLY 57 HA2 GLY 57 -9.555 -6.476 11.838 369 HA3 GLY 57 HA1 GLY 57 -10.737 -5.187 11.660 370 H THR 58 HN THR 58 -9.304 -4.957 8.829 371 HA THR 58 HA THR 58 -11.326 -6.471 7.461 372 HB THR 58 HB THR 58 -8.981 -4.824 6.493 373 HG1 THR 58 HG1 THR 58 -10.490 -3.456 7.209 374 HG21 THR 58 HG21 THR 58 -10.844 -5.016 4.440 375 HG22 THR 58 HG22 THR 58 -10.604 -6.670 5.009 376 HG23 THR 58 HG23 THR 58 -9.221 -5.705 4.486 377 H VAL 59 HN VAL 59 -11.086 -8.651 7.421 378 HA VAL 59 HA VAL 59 -8.640 -10.004 7.577 379 HB VAL 59 HB VAL 59 -10.724 -11.128 8.149 380 HG11 VAL 59 HG11 VAL 59 -11.806 -9.948 5.984 381 HG12 VAL 59 HG12 VAL 59 -12.521 -11.337 6.804 382 HG13 VAL 59 HG13 VAL 59 -11.543 -11.575 5.355 383 HG21 VAL 59 HG21 VAL 59 -9.961 -12.770 5.834 384 HG22 VAL 59 HG22 VAL 59 -9.979 -13.166 7.553 385 HG23 VAL 59 HG23 VAL 59 -8.626 -12.264 6.870 386 H CYS 60 HN CYS 60 -7.104 -10.260 6.138 387 HA CYS 60 HA CYS 60 -7.736 -9.867 3.288 388 HB2 CYS 60 HB2 CYS 60 -6.198 -8.208 3.836 389 HB3 CYS 60 HB1 CYS 60 -5.351 -9.238 4.977 390 H ARG 61 HN ARG 61 -6.362 -12.006 5.640 391 HA ARG 61 HA ARG 61 -6.322 -14.165 3.710 392 HB2 ARG 61 HB2 ARG 61 -3.793 -13.713 5.272 393 HB3 ARG 61 HB1 ARG 61 -4.062 -14.790 3.912 394 HG2 ARG 61 HG2 ARG 61 -4.401 -12.747 2.498 395 HG3 ARG 61 HG1 ARG 61 -3.835 -11.800 3.875 396 HD2 ARG 61 HD2 ARG 61 -2.260 -14.066 2.682 397 HD3 ARG 61 HD1 ARG 61 -2.094 -12.399 2.140 398 HE ARG 61 HE ARG 61 -1.446 -13.372 4.846 399 HH11 ARG 61 HH11 ARG 61 -1.031 -11.045 2.268 400 HH12 ARG 61 HH12 ARG 61 0.256 -10.214 3.069 401 HH21 ARG 61 HH21 ARG 61 0.238 -12.276 5.887 402 HH22 ARG 61 HH22 ARG 61 0.978 -10.910 5.121 403 H ILE 62 HN ILE 62 -5.444 -16.221 4.876 404 HA ILE 62 HA ILE 62 -5.911 -16.349 7.715 405 HB ILE 62 HB ILE 62 -7.709 -18.103 6.065 406 HG12 ILE 62 HG12 ILE 62 -9.577 -16.508 6.741 407 HG13 ILE 62 HG11 ILE 62 -8.321 -15.325 7.078 408 HG21 ILE 62 HG21 ILE 62 -8.428 -17.185 8.772 409 HG22 ILE 62 HG22 ILE 62 -7.012 -18.230 8.652 410 HG23 ILE 62 HG23 ILE 62 -8.569 -18.782 8.035 411 HD11 ILE 62 HD11 ILE 62 -7.772 -16.284 4.520 412 HD12 ILE 62 HD12 ILE 62 -8.440 -14.713 4.962 413 HD13 ILE 62 HD13 ILE 62 -9.520 -16.057 4.582 414 H ALA 63 HN ALA 63 -4.531 -17.806 8.484 415 HA ALA 63 HA ALA 63 -2.726 -19.251 7.046 416 HB1 ALA 63 HB1 ALA 63 -3.314 -20.791 9.363 417 HB2 ALA 63 HB2 ALA 63 -3.473 -19.080 9.762 418 HB3 ALA 63 HB3 ALA 63 -1.967 -19.689 9.077 419 H ARG 64 HN ARG 64 -5.399 -20.913 8.706 420 HA ARG 64 HA ARG 64 -6.424 -22.248 6.483 421 HB2 ARG 64 HB2 ARG 64 -3.935 -23.209 6.895 422 HB3 ARG 64 HB1 ARG 64 -4.848 -24.288 7.940 423 HG2 ARG 64 HG2 ARG 64 -4.625 -25.311 5.795 424 HG3 ARG 64 HG1 ARG 64 -6.310 -24.833 6.011 425 HD2 ARG 64 HD2 ARG 64 -5.319 -22.615 4.835 426 HD3 ARG 64 HD1 ARG 64 -4.280 -23.844 4.115 427 HE ARG 64 HE ARG 64 -6.887 -24.767 3.909 428 HH11 ARG 64 HH11 ARG 64 -4.999 -22.081 2.725 429 HH12 ARG 64 HH12 ARG 64 -5.920 -21.914 1.268 430 HH21 ARG 64 HH21 ARG 64 -8.099 -24.549 1.993 431 HH22 ARG 64 HH22 ARG 64 -7.680 -23.314 0.852 432 H GLY 65 HN GLY 65 -8.018 -21.328 8.135 433 HA2 GLY 65 HA2 GLY 65 -9.739 -23.088 9.102 434 HA3 GLY 65 HA1 GLY 65 -8.527 -23.133 10.373 435 H ASP 66 HN ASP 66 -8.773 -21.773 12.005 436 HA ASP 66 HA ASP 66 -9.667 -19.103 11.725 437 HB2 ASP 66 HB2 ASP 66 -11.677 -21.180 12.393 438 HB3 ASP 66 HB1 ASP 66 -11.724 -19.704 13.352 439 H TRP 67 HN TRP 67 -7.675 -18.970 12.879 440 HA TRP 67 HA TRP 67 -7.946 -19.537 15.759 441 HB2 TRP 67 HB2 TRP 67 -5.211 -19.210 15.173 442 HB3 TRP 67 HB1 TRP 67 -6.034 -20.704 15.601 443 HD1 TRP 67 HD1 TRP 67 -5.248 -18.663 12.392 444 HE1 TRP 67 HE1 TRP 67 -4.905 -20.330 10.471 445 HE3 TRP 67 HE3 TRP 67 -6.269 -22.991 14.890 446 HZ2 TRP 67 HZ2 TRP 67 -5.043 -23.113 10.063 447 HZ3 TRP 67 HZ3 TRP 67 -6.141 -25.124 13.664 448 HH2 TRP 67 HH2 TRP 67 -5.539 -25.182 11.296 449 H ASN 68 HN ASN 68 -5.828 -17.598 13.705 450 HA ASN 68 HA ASN 68 -6.403 -15.259 15.400 451 HB2 ASN 68 HB2 ASN 68 -3.946 -15.464 13.686 452 HB3 ASN 68 HB1 ASN 68 -4.207 -14.504 15.138 453 HD21 ASN 68 HD21 ASN 68 -3.784 -17.790 13.950 454 HD22 ASN 68 HD22 ASN 68 -3.100 -18.422 15.405 455 H ASP 69 HN ASP 69 -6.006 -16.474 12.137 456 HA ASP 69 HA ASP 69 -6.696 -15.710 10.112 457 HB2 ASP 69 HB2 ASP 69 -8.499 -14.264 11.998 458 HB3 ASP 69 HB1 ASP 69 -8.485 -13.773 10.307 459 H ASP 70 HN ASP 70 -6.062 -14.227 8.589 460 HA ASP 70 HA ASP 70 -4.156 -12.263 9.447 461 HB2 ASP 70 HB2 ASP 70 -4.015 -13.679 7.317 462 HB3 ASP 70 HB1 ASP 70 -5.221 -12.591 6.658 463 H TYR 71 HN TYR 71 -4.428 -10.125 9.688 464 HA TYR 71 HA TYR 71 -6.857 -8.915 8.600 465 HB2 TYR 71 HB2 TYR 71 -6.087 -9.085 11.482 466 HB3 TYR 71 HB1 TYR 71 -7.013 -7.703 10.896 467 HD1 TYR 71 HD1 TYR 71 -9.130 -8.204 9.583 468 HD2 TYR 71 HD2 TYR 71 -7.181 -11.061 12.034 469 HE1 TYR 71 HE1 TYR 71 -11.206 -9.497 9.684 470 HE2 TYR 71 HE2 TYR 71 -9.240 -12.387 12.147 471 HH TYR 71 HH TYR 71 -11.795 -11.851 11.903 472 H CYS 72 HN CYS 72 -6.766 -6.796 8.133 473 HA CYS 72 HA CYS 72 -4.182 -5.669 7.728 474 HB2 CYS 72 HB2 CYS 72 -6.883 -5.175 6.864 475 HB3 CYS 72 HB1 CYS 72 -6.127 -3.665 7.371 476 H THR 73 HN THR 73 -3.609 -3.461 8.493 477 HA THR 73 HA THR 73 -4.506 -3.095 11.273 478 HB THR 73 HB THR 73 -2.263 -2.227 11.760 479 HG1 THR 73 HG1 THR 73 -1.958 -1.626 9.417 480 HG21 THR 73 HG21 THR 73 -1.445 -4.677 10.406 481 HG22 THR 73 HG22 THR 73 -2.891 -4.857 11.400 482 HG23 THR 73 HG23 THR 73 -1.398 -4.250 12.117 483 H GLY 74 HN GLY 74 -5.120 -1.807 8.433 484 HA2 GLY 74 HA2 GLY 74 -5.684 0.272 7.637 485 HA3 GLY 74 HA1 GLY 74 -6.151 0.584 9.300 486 H LYS 75 HN LYS 75 -2.831 -0.103 8.572 487 HA LYS 75 HA LYS 75 -2.197 2.763 8.775 488 HB2 LYS 75 HB2 LYS 75 -0.323 2.275 10.221 489 HB3 LYS 75 HB1 LYS 75 -1.792 1.622 10.932 490 HG2 LYS 75 HG2 LYS 75 -1.022 -0.469 10.878 491 HG3 LYS 75 HG1 LYS 75 -0.394 -0.292 9.239 492 HD2 LYS 75 HD2 LYS 75 1.682 0.219 9.957 493 HD3 LYS 75 HD1 LYS 75 1.085 1.190 11.304 494 HE2 LYS 75 HE2 LYS 75 0.603 -1.703 11.531 495 HE3 LYS 75 HE1 LYS 75 2.299 -1.221 11.565 496 HZ1 LYS 75 HZ1 LYS 75 1.357 0.535 13.259 497 HZ2 LYS 75 HZ2 LYS 75 1.788 -1.024 13.755 498 HZ3 LYS 75 HZ3 LYS 75 0.163 -0.645 13.478 499 H SER 76 HN SER 76 -1.605 -0.278 7.271 500 HA SER 76 HA SER 76 0.198 1.020 5.384 501 HB2 SER 76 HB2 SER 76 0.946 -1.198 7.213 502 HB3 SER 76 HB1 SER 76 1.501 -1.321 5.543 503 HG SER 76 HG SER 76 2.829 0.295 5.858 504 H SER 77 HN SER 77 0.742 -0.654 3.576 505 HA SER 77 HA SER 77 -1.801 -1.637 2.578 506 HB2 SER 77 HB2 SER 77 -0.830 -1.607 0.485 507 HB3 SER 77 HB1 SER 77 0.133 -0.374 1.295 508 HG SER 77 HG SER 77 1.175 -2.256 0.058 509 H ASP 78 HN ASP 78 0.123 -2.946 4.731 510 HA ASP 78 HA ASP 78 0.278 -5.602 3.498 511 HB2 ASP 78 HB2 ASP 78 1.720 -6.165 5.461 512 HB3 ASP 78 HB1 ASP 78 2.366 -4.876 4.449 513 H CYS 79 HN CYS 79 -0.503 -7.440 4.566 514 HA CYS 79 HA CYS 79 -2.448 -6.939 6.713 515 HB2 CYS 79 HB2 CYS 79 -4.006 -8.494 5.657 516 HB3 CYS 79 HB1 CYS 79 -3.649 -7.146 4.585 517 HA PRO 80 HA PRO 80 0.364 -10.235 8.193 518 HB2 PRO 80 HB2 PRO 80 -0.073 -9.766 10.826 519 HB3 PRO 80 HB1 PRO 80 1.051 -8.808 9.856 520 HG2 PRO 80 HG2 PRO 80 -1.779 -8.193 10.632 521 HG3 PRO 80 HG1 PRO 80 -0.355 -7.135 10.669 522 HD2 PRO 80 HD2 PRO 80 -2.155 -7.033 8.667 523 HD3 PRO 80 HD1 PRO 80 -0.426 -6.746 8.392 524 H TRP 81 HN TRP 81 -0.082 -12.296 8.699 525 HA TRP 81 HA TRP 81 -2.676 -13.352 8.644 526 HB2 TRP 81 HB2 TRP 81 -0.824 -15.012 10.170 527 HB3 TRP 81 HB1 TRP 81 -1.663 -15.361 8.668 528 HD1 TRP 81 HD1 TRP 81 1.633 -13.899 9.985 529 HE1 TRP 81 HE1 TRP 81 3.360 -13.964 8.077 530 HE3 TRP 81 HE3 TRP 81 -1.433 -15.368 6.198 531 HZ2 TRP 81 HZ2 TRP 81 3.404 -14.568 5.322 532 HZ3 TRP 81 HZ3 TRP 81 -0.480 -15.676 3.945 533 HH2 TRP 81 HH2 TRP 81 1.893 -15.279 3.517 534 H ASN 82 HN ASN 82 -0.864 -12.003 11.218 535 HA ASN 82 HA ASN 82 -1.512 -11.398 13.334 536 HB2 ASN 82 HB2 ASN 82 -3.944 -11.826 12.208 537 HB3 ASN 82 HB1 ASN 82 -3.936 -13.093 13.431 538 HD21 ASN 82 HD21 ASN 82 -2.365 -11.712 15.348 539 HD22 ASN 82 HD22 ASN 82 -3.328 -10.429 15.988 540 H HIS 83 HN HIS 83 0.024 -13.726 12.510 541 HA HIS 83 HA HIS 83 -0.552 -15.656 14.641 542 HB2 HIS 83 HB2 HIS 83 1.368 -15.868 12.307 543 HB3 HIS 83 HB1 HIS 83 0.979 -17.153 13.450 544 HD1 HIS 83 HD1 HIS 83 0.476 -17.159 10.283 545 HD2 HIS 83 HD2 HIS 83 -2.356 -16.539 13.256 546 HE1 HIS 83 HE1 HIS 83 -1.738 -17.715 9.231 547 HE2 HIS 83 HE2 HIS 83 -3.444 -17.267 11.026 Start of MODEL 17 1 H1 SER 1 HT1 SER 1 13.428 -1.609 -14.665 2 H2 SER 1 HT2 SER 1 12.726 -0.617 -15.877 3 H3 SER 1 HT3 SER 1 12.098 -0.599 -14.279 4 HA SER 1 HA SER 1 14.754 0.324 -15.151 5 HB2 SER 1 HB2 SER 1 12.838 2.125 -13.805 6 HB3 SER 1 HB1 SER 1 13.883 2.425 -15.193 7 HG SER 1 HG SER 1 12.275 1.981 -16.464 8 HA PRO 2 HA PRO 2 16.190 -0.038 -11.005 9 HB2 PRO 2 HB2 PRO 2 17.361 2.380 -10.517 10 HB3 PRO 2 HB1 PRO 2 18.082 1.135 -11.544 11 HG2 PRO 2 HG2 PRO 2 16.522 3.567 -12.327 12 HG3 PRO 2 HG1 PRO 2 17.998 2.903 -13.051 13 HD2 PRO 2 HD2 PRO 2 15.568 2.512 -14.148 14 HD3 PRO 2 HD1 PRO 2 16.843 1.279 -14.224 15 HA PRO 3 HA PRO 3 13.193 1.650 -8.223 16 HB2 PRO 3 HB2 PRO 3 14.481 1.367 -5.864 17 HB3 PRO 3 HB1 PRO 3 13.837 -0.010 -6.764 18 HG2 PRO 3 HG2 PRO 3 16.642 1.027 -6.633 19 HG3 PRO 3 HG1 PRO 3 16.066 -0.649 -6.570 20 HD2 PRO 3 HD2 PRO 3 17.075 0.471 -8.823 21 HD3 PRO 3 HD1 PRO 3 15.817 -0.781 -8.854 22 H VAL 4 HN VAL 4 13.885 3.789 -9.378 23 HA VAL 4 HA VAL 4 14.993 5.618 -7.350 24 HB VAL 4 HB VAL 4 15.082 6.050 -10.330 25 HG11 VAL 4 HG11 VAL 4 15.920 7.590 -7.951 26 HG12 VAL 4 HG12 VAL 4 15.371 8.148 -9.531 27 HG13 VAL 4 HG13 VAL 4 17.030 7.586 -9.321 28 HG21 VAL 4 HG21 VAL 4 16.434 4.072 -9.477 29 HG22 VAL 4 HG22 VAL 4 17.414 5.253 -8.609 30 HG23 VAL 4 HG23 VAL 4 17.318 5.310 -10.369 31 H CYS 5 HN CYS 5 14.084 7.685 -7.162 32 HA CYS 5 HA CYS 5 11.246 7.770 -7.700 33 HB2 CYS 5 HB2 CYS 5 12.653 8.737 -5.646 34 HB3 CYS 5 HB1 CYS 5 12.754 10.152 -6.686 35 H GLY 6 HN GLY 6 11.160 7.788 -9.906 36 HA2 GLY 6 HA2 GLY 6 10.647 9.733 -11.492 37 HA3 GLY 6 HA1 GLY 6 12.364 10.079 -11.297 38 H ASN 7 HN ASN 7 11.125 6.845 -11.300 39 HA ASN 7 HA ASN 7 12.174 6.368 -14.003 40 HB2 ASN 7 HB2 ASN 7 12.832 5.022 -11.416 41 HB3 ASN 7 HB1 ASN 7 12.667 3.996 -12.839 42 HD21 ASN 7 HD21 ASN 7 14.119 7.141 -12.045 43 HD22 ASN 7 HD22 ASN 7 15.625 6.833 -12.832 44 H LYS 8 HN LYS 8 9.519 6.612 -12.310 45 HA LYS 8 HA LYS 8 7.398 5.952 -12.719 46 HB2 LYS 8 HB2 LYS 8 8.692 4.889 -14.955 47 HB3 LYS 8 HB1 LYS 8 7.829 3.524 -14.258 48 HG2 LYS 8 HG2 LYS 8 5.752 4.534 -14.545 49 HG3 LYS 8 HG1 LYS 8 6.456 6.143 -14.729 50 HD2 LYS 8 HD2 LYS 8 6.880 5.845 -16.926 51 HD3 LYS 8 HD1 LYS 8 7.326 4.150 -16.714 52 HE2 LYS 8 HE2 LYS 8 5.195 3.408 -17.013 53 HE3 LYS 8 HE1 LYS 8 4.476 4.864 -16.326 54 HZ1 LYS 8 HZ1 LYS 8 4.809 6.033 -18.328 55 HZ2 LYS 8 HZ2 LYS 8 4.160 4.538 -18.779 56 HZ3 LYS 8 HZ3 LYS 8 5.815 4.832 -18.969 57 H ILE 9 HN ILE 9 9.684 4.575 -11.042 58 HA ILE 9 HA ILE 9 8.050 2.352 -10.034 59 HB ILE 9 HB ILE 9 11.026 2.838 -9.761 60 HG12 ILE 9 HG12 ILE 9 10.081 0.315 -10.917 61 HG13 ILE 9 HG11 ILE 9 9.655 1.730 -11.875 62 HG21 ILE 9 HG21 ILE 9 9.191 0.893 -8.439 63 HG22 ILE 9 HG22 ILE 9 10.543 1.804 -7.765 64 HG23 ILE 9 HG23 ILE 9 10.848 0.413 -8.806 65 HD11 ILE 9 HD11 ILE 9 11.740 0.842 -12.647 66 HD12 ILE 9 HD12 ILE 9 12.412 0.892 -11.017 67 HD13 ILE 9 HD13 ILE 9 12.035 2.393 -11.862 68 H LEU 10 HN LEU 10 7.831 2.181 -7.754 69 HA LEU 10 HA LEU 10 7.622 4.717 -6.443 70 HB2 LEU 10 HB2 LEU 10 7.201 2.983 -4.429 71 HB3 LEU 10 HB1 LEU 10 5.965 3.480 -5.565 72 HG LEU 10 HG LEU 10 7.618 1.058 -6.152 73 HD11 LEU 10 HD11 LEU 10 6.014 -0.321 -4.951 74 HD12 LEU 10 HD12 LEU 10 5.193 1.127 -4.368 75 HD13 LEU 10 HD13 LEU 10 6.844 0.783 -3.853 76 HD21 LEU 10 HD21 LEU 10 5.888 0.488 -7.570 77 HD22 LEU 10 HD22 LEU 10 5.900 2.248 -7.704 78 HD23 LEU 10 HD23 LEU 10 4.703 1.448 -6.682 79 H GLU 11 HN GLU 11 10.150 4.683 -7.083 80 HA GLU 11 HA GLU 11 12.349 4.432 -6.419 81 HB2 GLU 11 HB2 GLU 11 11.703 6.562 -5.550 82 HB3 GLU 11 HB1 GLU 11 10.945 5.820 -4.151 83 HG2 GLU 11 HG2 GLU 11 12.982 5.333 -3.148 84 HG3 GLU 11 HG1 GLU 11 13.866 5.461 -4.667 85 H GLN 12 HN GLN 12 12.097 2.064 -6.285 86 HA GLN 12 HA GLN 12 12.623 0.114 -5.255 87 HB2 GLN 12 HB2 GLN 12 14.143 2.007 -3.922 88 HB3 GLN 12 HB1 GLN 12 13.367 1.107 -2.628 89 HG2 GLN 12 HG2 GLN 12 14.208 -0.905 -4.241 90 HG3 GLN 12 HG1 GLN 12 15.473 0.298 -4.489 91 HE21 GLN 12 HE21 GLN 12 13.546 -0.897 -1.753 92 HE22 GLN 12 HE22 GLN 12 14.887 -1.126 -0.689 93 H GLY 13 HN GLY 13 11.695 1.808 -2.297 94 HA2 GLY 13 HA2 GLY 13 9.180 0.297 -2.240 95 HA3 GLY 13 HA1 GLY 13 10.305 0.096 -0.904 96 H GLU 14 HN GLU 14 9.861 3.109 -2.589 97 HA GLU 14 HA GLU 14 9.468 4.604 -0.261 98 HB2 GLU 14 HB2 GLU 14 9.335 5.065 -3.173 99 HB3 GLU 14 HB1 GLU 14 8.489 6.235 -2.168 100 HG2 GLU 14 HG2 GLU 14 11.388 5.461 -1.979 101 HG3 GLU 14 HG1 GLU 14 10.745 6.977 -2.604 102 H ASP 15 HN ASP 15 7.168 3.309 -2.584 103 HA ASP 15 HA ASP 15 5.045 2.517 -2.151 104 HB2 ASP 15 HB2 ASP 15 4.909 4.296 0.278 105 HB3 ASP 15 HB1 ASP 15 3.853 2.949 -0.132 106 H CYS 16 HN CYS 16 5.827 4.888 -3.705 107 HA CYS 16 HA CYS 16 3.560 5.692 -4.830 108 HB2 CYS 16 HB2 CYS 16 3.702 6.940 -2.178 109 HB3 CYS 16 HB1 CYS 16 3.354 8.060 -3.488 110 H ASP 17 HN ASP 17 4.763 6.125 -6.592 111 HA ASP 17 HA ASP 17 6.198 8.663 -6.580 112 HB2 ASP 17 HB2 ASP 17 7.923 6.967 -6.094 113 HB3 ASP 17 HB1 ASP 17 7.474 6.107 -7.564 114 H CYS 18 HN CYS 18 6.743 9.416 -8.733 115 HA CYS 18 HA CYS 18 5.095 8.259 -10.876 116 HB2 CYS 18 HB2 CYS 18 5.317 11.179 -10.122 117 HB3 CYS 18 HB1 CYS 18 4.648 10.609 -11.641 118 H GLY 19 HN GLY 19 5.997 8.405 -12.949 119 HA2 GLY 19 HA2 GLY 19 8.709 8.250 -13.273 120 HA3 GLY 19 HA1 GLY 19 7.618 8.757 -14.555 121 H SER 20 HN SER 20 6.733 11.177 -13.646 122 HA SER 20 HA SER 20 9.125 12.780 -13.119 123 HB2 SER 20 HB2 SER 20 7.434 12.856 -15.568 124 HB3 SER 20 HB1 SER 20 7.988 14.399 -14.918 125 HG SER 20 HG SER 20 10.074 13.784 -15.215 126 HA PRO 21 HA PRO 21 6.395 14.514 -10.014 127 HB2 PRO 21 HB2 PRO 21 8.159 16.867 -10.558 128 HB3 PRO 21 HB1 PRO 21 7.649 16.179 -9.012 129 HG2 PRO 21 HG2 PRO 21 10.090 15.711 -9.975 130 HG3 PRO 21 HG1 PRO 21 9.183 14.449 -9.121 131 HD2 PRO 21 HD2 PRO 21 9.771 14.724 -12.017 132 HD3 PRO 21 HD1 PRO 21 9.503 13.262 -11.048 133 H ALA 22 HN ALA 22 7.162 16.049 -13.081 134 HA ALA 22 HA ALA 22 4.986 17.944 -12.884 135 HB1 ALA 22 HB1 ALA 22 7.164 17.394 -14.824 136 HB2 ALA 22 HB2 ALA 22 6.639 18.920 -14.111 137 HB3 ALA 22 HB3 ALA 22 5.713 18.195 -15.426 138 H ASN 23 HN ASN 23 5.599 14.814 -14.273 139 HA ASN 23 HA ASN 23 2.957 14.846 -15.557 140 HB2 ASN 23 HB2 ASN 23 5.200 14.223 -16.797 141 HB3 ASN 23 HB1 ASN 23 4.945 12.660 -16.027 142 HD21 ASN 23 HD21 ASN 23 4.506 14.247 -18.795 143 HD22 ASN 23 HD22 ASN 23 3.099 13.450 -19.401 144 H CYS 24 HN CYS 24 3.688 14.395 -12.670 145 HA CYS 24 HA CYS 24 3.335 11.688 -12.020 146 HB2 CYS 24 HB2 CYS 24 4.269 13.368 -10.471 147 HB3 CYS 24 HB1 CYS 24 2.683 14.121 -10.356 148 H GLN 25 HN GLN 25 1.639 10.947 -13.298 149 HA GLN 25 HA GLN 25 -1.007 12.063 -12.996 150 HB2 GLN 25 HB2 GLN 25 -1.707 10.329 -14.555 151 HB3 GLN 25 HB1 GLN 25 -0.267 11.143 -15.153 152 HG2 GLN 25 HG2 GLN 25 0.993 9.184 -14.003 153 HG3 GLN 25 HG1 GLN 25 -0.571 8.375 -14.086 154 HE21 GLN 25 HE21 GLN 25 0.620 6.872 -15.457 155 HE22 GLN 25 HE22 GLN 25 0.781 7.226 -17.140 156 H ASP 26 HN ASP 26 -0.090 11.321 -10.514 157 HA ASP 26 HA ASP 26 -1.964 9.183 -9.841 158 HB2 ASP 26 HB2 ASP 26 0.728 8.675 -9.888 159 HB3 ASP 26 HB1 ASP 26 0.488 9.163 -8.213 160 H ARG 27 HN ARG 27 -3.398 10.590 -8.931 161 HA ARG 27 HA ARG 27 -2.725 12.764 -7.281 162 HB2 ARG 27 HB2 ARG 27 -4.889 12.505 -8.443 163 HB3 ARG 27 HB1 ARG 27 -5.303 11.193 -7.349 164 HG2 ARG 27 HG2 ARG 27 -6.413 13.065 -6.498 165 HG3 ARG 27 HG1 ARG 27 -4.995 12.872 -5.465 166 HD2 ARG 27 HD2 ARG 27 -3.850 14.534 -7.033 167 HD3 ARG 27 HD1 ARG 27 -5.466 14.884 -7.645 168 HE ARG 27 HE ARG 27 -5.355 15.062 -4.806 169 HH11 ARG 27 HH11 ARG 27 -4.565 16.780 -7.738 170 HH12 ARG 27 HH12 ARG 27 -4.666 18.343 -6.998 171 HH21 ARG 27 HH21 ARG 27 -5.490 17.116 -3.831 172 HH22 ARG 27 HH22 ARG 27 -5.191 18.533 -4.780 173 H CYS 28 HN CYS 28 -2.860 9.393 -6.636 174 HA CYS 28 HA CYS 28 -3.003 9.846 -3.747 175 HB2 CYS 28 HB2 CYS 28 -3.281 7.388 -5.462 176 HB3 CYS 28 HB1 CYS 28 -3.037 7.271 -3.722 177 H CYS 29 HN CYS 29 -0.690 9.547 -6.156 178 HA CYS 29 HA CYS 29 1.359 8.911 -4.154 179 HB2 CYS 29 HB2 CYS 29 1.083 7.708 -6.905 180 HB3 CYS 29 HB1 CYS 29 2.613 7.718 -6.036 181 H ASN 30 HN ASN 30 2.868 10.431 -4.052 182 HA ASN 30 HA ASN 30 3.196 12.216 -6.379 183 HB2 ASN 30 HB2 ASN 30 2.306 13.381 -4.435 184 HB3 ASN 30 HB1 ASN 30 3.630 12.786 -3.441 185 HD21 ASN 30 HD21 ASN 30 4.642 14.616 -2.906 186 HD22 ASN 30 HD22 ASN 30 5.308 15.743 -4.033 187 H ALA 31 HN ALA 31 5.113 12.346 -7.346 188 HA ALA 31 HA ALA 31 7.250 10.614 -6.554 189 HB1 ALA 31 HB1 ALA 31 6.603 11.305 -8.928 190 HB2 ALA 31 HB2 ALA 31 8.321 11.255 -8.541 191 HB3 ALA 31 HB3 ALA 31 7.474 12.800 -8.601 192 H ALA 32 HN ALA 32 6.747 14.114 -6.592 193 HA ALA 32 HA ALA 32 9.224 15.025 -5.815 194 HB1 ALA 32 HB1 ALA 32 7.944 16.836 -6.145 195 HB2 ALA 32 HB2 ALA 32 7.580 16.696 -4.425 196 HB3 ALA 32 HB3 ALA 32 6.475 16.015 -5.618 197 H THR 33 HN THR 33 6.940 13.215 -3.962 198 HA THR 33 HA THR 33 8.577 13.595 -1.542 199 HB THR 33 HB THR 33 6.159 14.349 -1.431 200 HG1 THR 33 HG1 THR 33 7.128 13.904 0.490 201 HG21 THR 33 HG21 THR 33 5.382 11.488 -1.148 202 HG22 THR 33 HG22 THR 33 5.403 12.223 -2.750 203 HG23 THR 33 HG23 THR 33 4.384 12.903 -1.482 204 H CYS 34 HN CYS 34 7.192 11.385 -3.811 205 HA CYS 34 HA CYS 34 7.442 9.173 -4.166 206 HB2 CYS 34 HB2 CYS 34 9.909 10.029 -3.045 207 HB3 CYS 34 HB1 CYS 34 9.518 8.467 -2.332 208 H LYS 35 HN LYS 35 5.530 9.989 -2.427 209 HA LYS 35 HA LYS 35 5.061 7.601 -0.902 210 HB2 LYS 35 HB2 LYS 35 5.166 10.207 0.635 211 HB3 LYS 35 HB1 LYS 35 4.844 8.605 1.280 212 HG2 LYS 35 HG2 LYS 35 7.158 7.954 0.674 213 HG3 LYS 35 HG1 LYS 35 7.454 9.624 0.184 214 HD2 LYS 35 HD2 LYS 35 8.275 9.453 2.388 215 HD3 LYS 35 HD1 LYS 35 6.724 10.285 2.523 216 HE2 LYS 35 HE2 LYS 35 5.930 7.715 2.774 217 HE3 LYS 35 HE1 LYS 35 7.542 7.621 3.482 218 HZ1 LYS 35 HZ1 LYS 35 5.482 8.241 4.932 219 HZ2 LYS 35 HZ2 LYS 35 5.759 9.794 4.322 220 HZ3 LYS 35 HZ3 LYS 35 6.972 9.000 5.193 221 H LEU 36 HN LEU 36 2.888 7.773 0.234 222 HA LEU 36 HA LEU 36 0.907 8.538 -1.566 223 HB2 LEU 36 HB2 LEU 36 0.736 8.040 1.404 224 HB3 LEU 36 HB1 LEU 36 -0.661 8.229 0.361 225 HG LEU 36 HG LEU 36 1.264 6.167 -0.496 226 HD11 LEU 36 HD11 LEU 36 0.357 4.534 1.150 227 HD12 LEU 36 HD12 LEU 36 -0.330 5.890 2.044 228 HD13 LEU 36 HD13 LEU 36 1.418 5.754 1.854 229 HD21 LEU 36 HD21 LEU 36 -0.788 6.452 -1.694 230 HD22 LEU 36 HD22 LEU 36 -1.730 6.333 -0.208 231 HD23 LEU 36 HD23 LEU 36 -0.869 4.922 -0.821 232 H THR 37 HN THR 37 -0.185 10.362 -1.944 233 HA THR 37 HA THR 37 0.695 12.803 -0.722 234 HB THR 37 HB THR 37 -0.655 13.915 -2.322 235 HG1 THR 37 HG1 THR 37 -2.613 12.970 -2.142 236 HG21 THR 37 HG21 THR 37 -0.270 11.568 -4.037 237 HG22 THR 37 HG22 THR 37 1.168 12.131 -3.186 238 HG23 THR 37 HG23 THR 37 0.278 13.232 -4.238 239 HA PRO 38 HA PRO 38 -2.158 13.397 2.573 240 HB2 PRO 38 HB2 PRO 38 -3.128 15.942 1.963 241 HB3 PRO 38 HB1 PRO 38 -1.667 15.592 2.891 242 HG2 PRO 38 HG2 PRO 38 -1.958 16.300 0.007 243 HG3 PRO 38 HG1 PRO 38 -0.698 16.776 1.161 244 HD2 PRO 38 HD2 PRO 38 -0.251 14.888 -0.681 245 HD3 PRO 38 HD1 PRO 38 0.426 14.752 0.956 246 H GLY 39 HN GLY 39 -3.979 12.244 2.580 247 HA2 GLY 39 HA2 GLY 39 -6.436 12.570 2.300 248 HA3 GLY 39 HA1 GLY 39 -6.079 12.953 0.623 249 H SER 40 HN SER 40 -4.006 10.836 0.498 250 HA SER 40 HA SER 40 -5.817 8.517 0.350 251 HB2 SER 40 HB2 SER 40 -4.580 7.739 -1.567 252 HB3 SER 40 HB1 SER 40 -5.010 9.426 -1.850 253 HG SER 40 HG SER 40 -2.540 8.264 -1.544 254 H GLN 41 HN GLN 41 -5.144 6.567 1.150 255 HA GLN 41 HA GLN 41 -2.602 6.599 2.637 256 HB2 GLN 41 HB2 GLN 41 -5.293 5.481 3.250 257 HB3 GLN 41 HB1 GLN 41 -3.889 4.603 3.841 258 HG2 GLN 41 HG2 GLN 41 -4.423 7.515 4.377 259 HG3 GLN 41 HG1 GLN 41 -4.845 6.200 5.473 260 HE21 GLN 41 HE21 GLN 41 -2.242 8.009 4.029 261 HE22 GLN 41 HE22 GLN 41 -1.012 7.503 5.132 262 H CYS 42 HN CYS 42 -4.561 4.861 0.339 263 HA CYS 42 HA CYS 42 -2.425 2.839 0.100 264 HB2 CYS 42 HB2 CYS 42 -3.928 1.184 -0.090 265 HB3 CYS 42 HB1 CYS 42 -4.995 2.305 0.739 266 H ASN 43 HN ASN 43 -2.651 1.750 -2.152 267 HA ASN 43 HA ASN 43 -3.503 3.087 -4.417 268 HB2 ASN 43 HB2 ASN 43 -1.955 4.872 -3.856 269 HB3 ASN 43 HB1 ASN 43 -0.631 3.719 -3.696 270 HD21 ASN 43 HD21 ASN 43 0.483 3.120 -5.463 271 HD22 ASN 43 HD22 ASN 43 0.149 3.674 -7.065 272 H TYR 44 HN TYR 44 -1.165 1.034 -2.868 273 HA TYR 44 HA TYR 44 -1.587 -1.025 -4.826 274 HB2 TYR 44 HB2 TYR 44 0.325 -0.859 -5.989 275 HB3 TYR 44 HB1 TYR 44 0.611 0.684 -5.196 276 HD1 TYR 44 HD2 TYR 44 1.147 -2.974 -4.717 277 HD2 TYR 44 HD1 TYR 44 2.532 0.967 -3.918 278 HE1 TYR 44 HE2 TYR 44 3.160 -3.903 -3.666 279 HE2 TYR 44 HE1 TYR 44 4.554 0.051 -2.865 280 HH TYR 44 HH TYR 44 4.870 -2.976 -1.815 281 H GLY 45 HN GLY 45 -1.880 -2.813 -3.655 282 HA2 GLY 45 HA2 GLY 45 -0.380 -4.247 -2.072 283 HA3 GLY 45 HA1 GLY 45 -0.719 -2.930 -0.963 284 H GLU 46 HN GLU 46 -1.381 -5.492 -0.306 285 HA GLU 46 HA GLU 46 -3.934 -6.389 -0.985 286 HB2 GLU 46 HB2 GLU 46 -2.015 -6.844 1.216 287 HB3 GLU 46 HB1 GLU 46 -3.686 -7.261 1.565 288 HG2 GLU 46 HG2 GLU 46 -2.344 -9.153 0.728 289 HG3 GLU 46 HG1 GLU 46 -3.757 -8.797 -0.263 290 H CYS 47 HN CYS 47 -2.912 -4.302 1.694 291 HA CYS 47 HA CYS 47 -5.512 -4.026 2.803 292 HB2 CYS 47 HB2 CYS 47 -2.834 -2.873 3.262 293 HB3 CYS 47 HB1 CYS 47 -4.191 -1.883 3.786 294 H CYS 48 HN CYS 48 -4.011 -2.548 0.101 295 HA CYS 48 HA CYS 48 -5.268 -0.034 0.206 296 HB2 CYS 48 HB2 CYS 48 -3.336 -0.373 -1.198 297 HB3 CYS 48 HB1 CYS 48 -4.176 -1.613 -2.123 298 H ASP 49 HN ASP 49 -7.238 0.604 -0.221 299 HA ASP 49 HA ASP 49 -8.929 -0.774 -2.109 300 HB2 ASP 49 HB2 ASP 49 -9.139 -1.717 0.399 301 HB3 ASP 49 HB1 ASP 49 -10.239 -0.348 0.526 302 H GLN 50 HN GLN 50 -9.504 0.901 -3.335 303 HA GLN 50 HA GLN 50 -10.391 2.891 -3.992 304 HB2 GLN 50 HB2 GLN 50 -12.023 2.103 -2.008 305 HB3 GLN 50 HB1 GLN 50 -11.404 3.583 -1.289 306 HG2 GLN 50 HG2 GLN 50 -12.669 3.423 -4.013 307 HG3 GLN 50 HG1 GLN 50 -13.527 3.863 -2.537 308 HE21 GLN 50 HE21 GLN 50 -11.546 4.935 -5.078 309 HE22 GLN 50 HE22 GLN 50 -11.328 6.563 -4.541 310 H CYS 51 HN CYS 51 -7.733 2.887 -3.284 311 HA CYS 51 HA CYS 51 -5.986 4.261 -2.813 312 HB2 CYS 51 HB2 CYS 51 -8.145 6.021 -3.644 313 HB3 CYS 51 HB1 CYS 51 -7.023 6.822 -2.551 314 H ARG 52 HN ARG 52 -7.829 3.212 -0.631 315 HA ARG 52 HA ARG 52 -6.597 4.745 1.527 316 HB2 ARG 52 HB2 ARG 52 -9.067 5.452 0.993 317 HB3 ARG 52 HB1 ARG 52 -9.473 3.956 1.823 318 HG2 ARG 52 HG2 ARG 52 -9.524 5.311 3.618 319 HG3 ARG 52 HG1 ARG 52 -7.786 5.007 3.616 320 HD2 ARG 52 HD2 ARG 52 -7.527 7.059 2.195 321 HD3 ARG 52 HD1 ARG 52 -9.236 7.390 2.478 322 HE ARG 52 HE ARG 52 -7.737 7.011 4.895 323 HH11 ARG 52 HH11 ARG 52 -8.671 9.327 2.457 324 HH12 ARG 52 HH12 ARG 52 -8.460 10.695 3.497 325 HH21 ARG 52 HH21 ARG 52 -7.460 8.809 6.265 326 HH22 ARG 52 HH22 ARG 52 -7.773 10.402 5.659 327 H PHE 53 HN PHE 53 -5.884 3.467 3.165 328 HA PHE 53 HA PHE 53 -5.677 0.715 2.827 329 HB2 PHE 53 HB2 PHE 53 -5.349 2.450 5.267 330 HB3 PHE 53 HB1 PHE 53 -5.095 0.708 5.326 331 HD1 PHE 53 HD1 PHE 53 -3.881 0.446 2.549 332 HD2 PHE 53 HD2 PHE 53 -3.145 3.132 5.765 333 HE1 PHE 53 HE1 PHE 53 -1.587 0.751 1.757 334 HE2 PHE 53 HE2 PHE 53 -0.835 3.447 4.973 335 HZ PHE 53 HZ PHE 53 -0.050 2.255 2.964 336 H LYS 54 HN LYS 54 -6.720 -1.044 3.620 337 HA LYS 54 HA LYS 54 -9.502 -0.802 4.087 338 HB2 LYS 54 HB2 LYS 54 -7.522 -2.999 4.001 339 HB3 LYS 54 HB1 LYS 54 -8.964 -3.312 4.955 340 HG2 LYS 54 HG2 LYS 54 -10.277 -3.486 3.149 341 HG3 LYS 54 HG1 LYS 54 -9.481 -2.149 2.316 342 HD2 LYS 54 HD2 LYS 54 -7.554 -3.700 1.880 343 HD3 LYS 54 HD1 LYS 54 -8.555 -5.011 2.508 344 HE2 LYS 54 HE2 LYS 54 -10.238 -3.864 0.707 345 HE3 LYS 54 HE1 LYS 54 -8.675 -3.603 -0.066 346 HZ1 LYS 54 HZ1 LYS 54 -9.568 -6.246 0.939 347 HZ2 LYS 54 HZ2 LYS 54 -8.241 -5.916 -0.056 348 HZ3 LYS 54 HZ3 LYS 54 -9.812 -5.730 -0.654 349 H LYS 55 HN LYS 55 -10.384 -0.023 5.885 350 HA LYS 55 HA LYS 55 -9.288 0.638 8.242 351 HB2 LYS 55 HB2 LYS 55 -11.632 1.080 7.656 352 HB3 LYS 55 HB1 LYS 55 -12.023 -0.612 7.930 353 HG2 LYS 55 HG2 LYS 55 -11.992 -0.400 10.184 354 HG3 LYS 55 HG1 LYS 55 -10.739 0.843 10.162 355 HD2 LYS 55 HD2 LYS 55 -13.334 1.594 8.972 356 HD3 LYS 55 HD1 LYS 55 -13.328 1.339 10.718 357 HE2 LYS 55 HE2 LYS 55 -12.837 3.605 10.493 358 HE3 LYS 55 HE1 LYS 55 -11.257 2.858 10.728 359 HZ1 LYS 55 HZ1 LYS 55 -12.208 3.182 7.983 360 HZ2 LYS 55 HZ2 LYS 55 -10.637 3.282 8.601 361 HZ3 LYS 55 HZ3 LYS 55 -11.708 4.575 8.803 362 H ALA 56 HN ALA 56 -8.296 -0.330 9.881 363 HA ALA 56 HA ALA 56 -7.443 -2.866 10.040 364 HB1 ALA 56 HB1 ALA 56 -8.118 -0.904 12.170 365 HB2 ALA 56 HB2 ALA 56 -6.557 -1.584 11.712 366 HB3 ALA 56 HB3 ALA 56 -7.703 -2.553 12.640 367 H GLY 57 HN GLY 57 -8.258 -4.831 10.300 368 HA2 GLY 57 HA2 GLY 57 -9.807 -6.272 11.583 369 HA3 GLY 57 HA1 GLY 57 -11.033 -5.038 11.317 370 H THR 58 HN THR 58 -9.604 -4.852 8.511 371 HA THR 58 HA THR 58 -11.500 -6.566 7.188 372 HB THR 58 HB THR 58 -9.240 -4.888 6.069 373 HG1 THR 58 HG1 THR 58 -12.019 -4.362 6.295 374 HG21 THR 58 HG21 THR 58 -9.788 -5.479 4.008 375 HG22 THR 58 HG22 THR 58 -11.517 -5.360 4.344 376 HG23 THR 58 HG23 THR 58 -10.641 -6.840 4.742 377 H VAL 59 HN VAL 59 -11.112 -8.709 7.188 378 HA VAL 59 HA VAL 59 -8.548 -9.861 7.428 379 HB VAL 59 HB VAL 59 -10.583 -11.061 8.105 380 HG11 VAL 59 HG11 VAL 59 -12.215 -11.831 6.643 381 HG12 VAL 59 HG12 VAL 59 -11.183 -11.622 5.227 382 HG13 VAL 59 HG13 VAL 59 -11.864 -10.212 6.038 383 HG21 VAL 59 HG21 VAL 59 -8.491 -12.169 6.416 384 HG22 VAL 59 HG22 VAL 59 -9.957 -13.149 6.422 385 HG23 VAL 59 HG23 VAL 59 -9.148 -12.762 7.941 386 H CYS 60 HN CYS 60 -7.002 -10.048 5.952 387 HA CYS 60 HA CYS 60 -7.763 -9.993 3.103 388 HB2 CYS 60 HB2 CYS 60 -5.014 -9.455 4.216 389 HB3 CYS 60 HB1 CYS 60 -5.603 -9.114 2.595 390 H ARG 61 HN ARG 61 -6.247 -11.853 5.575 391 HA ARG 61 HA ARG 61 -5.955 -14.099 3.761 392 HB2 ARG 61 HB2 ARG 61 -3.659 -12.617 4.921 393 HB3 ARG 61 HB1 ARG 61 -3.559 -14.371 4.934 394 HG2 ARG 61 HG2 ARG 61 -4.117 -14.246 2.447 395 HG3 ARG 61 HG1 ARG 61 -3.749 -12.525 2.582 396 HD2 ARG 61 HD2 ARG 61 -1.922 -14.861 3.087 397 HD3 ARG 61 HD1 ARG 61 -1.753 -13.597 1.872 398 HE ARG 61 HE ARG 61 -1.048 -13.437 4.674 399 HH11 ARG 61 HH11 ARG 61 -1.666 -11.669 1.727 400 HH12 ARG 61 HH12 ARG 61 -0.777 -10.274 2.236 401 HH21 ARG 61 HH21 ARG 61 0.110 -11.609 5.343 402 HH22 ARG 61 HH22 ARG 61 0.233 -10.239 4.289 403 H ILE 62 HN ILE 62 -5.226 -16.086 4.964 404 HA ILE 62 HA ILE 62 -5.611 -16.122 7.822 405 HB ILE 62 HB ILE 62 -7.449 -17.898 6.242 406 HG12 ILE 62 HG12 ILE 62 -9.287 -16.270 6.943 407 HG13 ILE 62 HG11 ILE 62 -8.006 -15.098 7.220 408 HG21 ILE 62 HG21 ILE 62 -6.896 -17.327 9.056 409 HG22 ILE 62 HG22 ILE 62 -7.566 -18.771 8.299 410 HG23 ILE 62 HG23 ILE 62 -8.611 -17.395 8.652 411 HD11 ILE 62 HD11 ILE 62 -7.554 -16.132 4.665 412 HD12 ILE 62 HD12 ILE 62 -8.158 -14.532 5.094 413 HD13 ILE 62 HD13 ILE 62 -9.291 -15.848 4.779 414 H ALA 63 HN ALA 63 -4.207 -17.544 8.594 415 HA ALA 63 HA ALA 63 -2.443 -19.040 7.160 416 HB1 ALA 63 HB1 ALA 63 -3.010 -20.473 9.571 417 HB2 ALA 63 HB2 ALA 63 -3.070 -18.737 9.876 418 HB3 ALA 63 HB3 ALA 63 -1.622 -19.459 9.174 419 H ARG 64 HN ARG 64 -5.085 -20.628 8.940 420 HA ARG 64 HA ARG 64 -6.180 -22.038 6.811 421 HB2 ARG 64 HB2 ARG 64 -3.658 -22.991 7.200 422 HB3 ARG 64 HB1 ARG 64 -4.583 -24.072 8.231 423 HG2 ARG 64 HG2 ARG 64 -4.356 -25.059 6.062 424 HG3 ARG 64 HG1 ARG 64 -6.042 -24.597 6.305 425 HD2 ARG 64 HD2 ARG 64 -5.803 -23.697 4.249 426 HD3 ARG 64 HD1 ARG 64 -5.107 -22.354 5.155 427 HE ARG 64 HE ARG 64 -2.972 -23.937 4.669 428 HH11 ARG 64 HH11 ARG 64 -5.454 -22.592 2.617 429 HH12 ARG 64 HH12 ARG 64 -4.427 -22.496 1.226 430 HH21 ARG 64 HH21 ARG 64 -1.619 -23.811 2.841 431 HH22 ARG 64 HH22 ARG 64 -2.250 -23.188 1.353 432 H GLY 65 HN GLY 65 -7.752 -21.120 8.444 433 HA2 GLY 65 HA2 GLY 65 -9.395 -22.863 9.553 434 HA3 GLY 65 HA1 GLY 65 -8.139 -22.832 10.781 435 H ASP 66 HN ASP 66 -8.397 -21.442 12.378 436 HA ASP 66 HA ASP 66 -9.348 -18.792 12.025 437 HB2 ASP 66 HB2 ASP 66 -11.278 -20.889 12.870 438 HB3 ASP 66 HB1 ASP 66 -11.335 -19.355 13.733 439 H TRP 67 HN TRP 67 -7.319 -18.569 13.101 440 HA TRP 67 HA TRP 67 -7.473 -19.039 16.008 441 HB2 TRP 67 HB2 TRP 67 -4.771 -18.673 15.334 442 HB3 TRP 67 HB1 TRP 67 -5.548 -20.178 15.808 443 HD1 TRP 67 HD1 TRP 67 -4.944 -18.176 12.529 444 HE1 TRP 67 HE1 TRP 67 -4.586 -19.869 10.636 445 HE3 TRP 67 HE3 TRP 67 -5.666 -22.487 15.161 446 HZ2 TRP 67 HZ2 TRP 67 -4.602 -22.667 10.296 447 HZ3 TRP 67 HZ3 TRP 67 -5.476 -24.640 13.978 448 HH2 TRP 67 HH2 TRP 67 -4.954 -24.725 11.593 449 H ASN 68 HN ASN 68 -5.476 -17.122 13.815 450 HA ASN 68 HA ASN 68 -6.072 -14.735 15.434 451 HB2 ASN 68 HB2 ASN 68 -3.622 -14.926 13.714 452 HB3 ASN 68 HB1 ASN 68 -3.895 -13.958 15.159 453 HD21 ASN 68 HD21 ASN 68 -3.393 -17.241 13.998 454 HD22 ASN 68 HD22 ASN 68 -2.684 -17.843 15.454 455 H ASP 69 HN ASP 69 -5.598 -16.045 12.209 456 HA ASP 69 HA ASP 69 -6.302 -15.373 10.156 457 HB2 ASP 69 HB2 ASP 69 -8.204 -14.021 11.996 458 HB3 ASP 69 HB1 ASP 69 -8.176 -13.486 10.319 459 H ASP 70 HN ASP 70 -5.805 -13.863 8.589 460 HA ASP 70 HA ASP 70 -3.985 -11.791 9.410 461 HB2 ASP 70 HB2 ASP 70 -3.751 -13.271 7.326 462 HB3 ASP 70 HB1 ASP 70 -4.994 -12.257 6.617 463 H TYR 71 HN TYR 71 -4.434 -9.691 9.692 464 HA TYR 71 HA TYR 71 -6.899 -8.644 8.503 465 HB2 TYR 71 HB2 TYR 71 -6.177 -8.724 11.399 466 HB3 TYR 71 HB1 TYR 71 -7.180 -7.415 10.775 467 HD1 TYR 71 HD1 TYR 71 -9.247 -8.049 9.475 468 HD2 TYR 71 HD2 TYR 71 -7.132 -10.789 11.918 469 HE1 TYR 71 HE1 TYR 71 -11.238 -9.470 9.559 470 HE2 TYR 71 HE2 TYR 71 -9.102 -12.244 12.014 471 HH TYR 71 HH TYR 71 -11.519 -12.214 10.011 472 H CYS 72 HN CYS 72 -6.943 -6.551 7.978 473 HA CYS 72 HA CYS 72 -4.476 -5.216 7.564 474 HB2 CYS 72 HB2 CYS 72 -6.643 -5.029 6.199 475 HB3 CYS 72 HB1 CYS 72 -7.193 -3.916 7.448 476 H THR 73 HN THR 73 -4.016 -2.998 8.337 477 HA THR 73 HA THR 73 -4.915 -2.638 11.119 478 HB THR 73 HB THR 73 -2.742 -1.971 11.764 479 HG1 THR 73 HG1 THR 73 -2.171 -0.677 10.034 480 HG21 THR 73 HG21 THR 73 -1.569 -3.890 11.589 481 HG22 THR 73 HG22 THR 73 -1.808 -4.009 9.845 482 HG23 THR 73 HG23 THR 73 -3.103 -4.480 10.946 483 H GLY 74 HN GLY 74 -5.460 -1.406 8.236 484 HA2 GLY 74 HA2 GLY 74 -6.043 0.645 7.393 485 HA3 GLY 74 HA1 GLY 74 -6.483 1.021 9.051 486 H LYS 75 HN LYS 75 -3.180 0.260 8.300 487 HA LYS 75 HA LYS 75 -2.507 3.121 8.330 488 HB2 LYS 75 HB2 LYS 75 -1.092 0.990 9.936 489 HB3 LYS 75 HB1 LYS 75 -0.645 2.688 9.855 490 HG2 LYS 75 HG2 LYS 75 -2.184 3.287 11.357 491 HG3 LYS 75 HG1 LYS 75 -3.420 2.245 10.647 492 HD2 LYS 75 HD2 LYS 75 -2.412 0.306 11.750 493 HD3 LYS 75 HD1 LYS 75 -1.181 1.351 12.462 494 HE2 LYS 75 HE2 LYS 75 -2.591 1.441 14.209 495 HE3 LYS 75 HE1 LYS 75 -3.452 2.624 13.225 496 HZ1 LYS 75 HZ1 LYS 75 -4.773 0.716 12.338 497 HZ2 LYS 75 HZ2 LYS 75 -5.028 1.049 13.976 498 HZ3 LYS 75 HZ3 LYS 75 -4.061 -0.263 13.521 499 H SER 76 HN SER 76 -1.861 -0.056 7.123 500 HA SER 76 HA SER 76 0.094 1.096 5.277 501 HB2 SER 76 HB2 SER 76 0.593 -1.087 7.230 502 HB3 SER 76 HB1 SER 76 1.268 -1.290 5.613 503 HG SER 76 HG SER 76 2.790 -0.020 6.287 504 H SER 77 HN SER 77 0.633 -0.513 3.501 505 HA SER 77 HA SER 77 -1.870 -1.575 2.469 506 HB2 SER 77 HB2 SER 77 0.237 -0.249 1.287 507 HB3 SER 77 HB1 SER 77 0.519 -1.921 0.804 508 HG SER 77 HG SER 77 -2.039 -0.759 0.570 509 H ASP 78 HN ASP 78 0.088 -2.845 4.580 510 HA ASP 78 HA ASP 78 0.215 -5.489 3.290 511 HB2 ASP 78 HB2 ASP 78 2.265 -4.050 4.498 512 HB3 ASP 78 HB1 ASP 78 1.802 -5.232 5.718 513 H CYS 79 HN CYS 79 -1.154 -6.947 4.016 514 HA CYS 79 HA CYS 79 -2.517 -6.522 6.569 515 HB2 CYS 79 HB2 CYS 79 -3.309 -7.518 4.025 516 HB3 CYS 79 HB1 CYS 79 -3.470 -8.836 5.180 517 HA PRO 80 HA PRO 80 0.479 -9.619 8.054 518 HB2 PRO 80 HB2 PRO 80 0.092 -9.138 10.686 519 HB3 PRO 80 HB1 PRO 80 1.089 -8.095 9.665 520 HG2 PRO 80 HG2 PRO 80 -1.757 -7.730 10.532 521 HG3 PRO 80 HG1 PRO 80 -0.436 -6.545 10.506 522 HD2 PRO 80 HD2 PRO 80 -2.312 -6.656 8.565 523 HD3 PRO 80 HD1 PRO 80 -0.633 -6.186 8.235 524 H TRP 81 HN TRP 81 0.130 -11.714 8.417 525 HA TRP 81 HA TRP 81 -2.312 -12.985 8.469 526 HB2 TRP 81 HB2 TRP 81 -0.358 -14.411 10.118 527 HB3 TRP 81 HB1 TRP 81 -1.138 -14.902 8.623 528 HD1 TRP 81 HD1 TRP 81 1.958 -12.959 9.860 529 HE1 TRP 81 HE1 TRP 81 3.728 -13.026 7.990 530 HE3 TRP 81 HE3 TRP 81 -0.815 -15.199 6.237 531 HZ2 TRP 81 HZ2 TRP 81 3.910 -13.925 5.319 532 HZ3 TRP 81 HZ3 TRP 81 0.218 -15.640 4.040 533 HH2 TRP 81 HH2 TRP 81 2.537 -15.011 3.593 534 H ASN 82 HN ASN 82 -0.610 -11.508 11.073 535 HA ASN 82 HA ASN 82 -1.344 -10.864 13.153 536 HB2 ASN 82 HB2 ASN 82 -3.711 -11.119 12.127 537 HB3 ASN 82 HB1 ASN 82 -3.729 -12.688 12.926 538 HD21 ASN 82 HD21 ASN 82 -5.138 -9.997 13.291 539 HD22 ASN 82 HD22 ASN 82 -5.021 -9.711 14.991 540 H HIS 83 HN HIS 83 0.274 -13.171 12.373 541 HA HIS 83 HA HIS 83 -0.235 -15.053 14.562 542 HB2 HIS 83 HB2 HIS 83 1.671 -15.276 12.219 543 HB3 HIS 83 HB1 HIS 83 1.334 -16.537 13.403 544 HD1 HIS 83 HD1 HIS 83 0.812 -16.689 10.253 545 HD2 HIS 83 HD2 HIS 83 -2.029 -16.017 13.208 546 HE1 HIS 83 HE1 HIS 83 -1.385 -17.383 9.245 547 HE2 HIS 83 HE2 HIS 83 -3.075 -17.058 11.084 Start of MODEL 18 1 H1 SER 1 HT1 SER 1 17.534 -2.515 -13.015 2 H2 SER 1 HT2 SER 1 16.613 -2.673 -14.455 3 H3 SER 1 HT3 SER 1 16.183 -3.569 -13.055 4 HA SER 1 HA SER 1 15.994 -0.673 -13.504 5 HB2 SER 1 HB2 SER 1 14.248 -2.511 -14.231 6 HB3 SER 1 HB1 SER 1 13.827 -2.494 -12.519 7 HG SER 1 HG SER 1 13.195 -0.412 -12.681 8 HA PRO 2 HA PRO 2 17.131 -1.176 -9.039 9 HB2 PRO 2 HB2 PRO 2 18.558 1.127 -8.884 10 HB3 PRO 2 HB1 PRO 2 19.256 -0.398 -9.442 11 HG2 PRO 2 HG2 PRO 2 18.241 1.918 -11.044 12 HG3 PRO 2 HG1 PRO 2 19.712 0.955 -11.278 13 HD2 PRO 2 HD2 PRO 2 17.465 0.561 -12.737 14 HD3 PRO 2 HD1 PRO 2 18.574 -0.760 -12.317 15 HA PRO 3 HA PRO 3 14.240 1.682 -7.311 16 HB2 PRO 3 HB2 PRO 3 16.044 2.665 -5.241 17 HB3 PRO 3 HB1 PRO 3 14.659 1.584 -5.085 18 HG2 PRO 3 HG2 PRO 3 17.210 0.749 -4.733 19 HG3 PRO 3 HG1 PRO 3 15.933 -0.306 -5.367 20 HD2 PRO 3 HD2 PRO 3 18.076 1.175 -6.849 21 HD3 PRO 3 HD1 PRO 3 17.488 -0.486 -7.085 22 H VAL 4 HN VAL 4 13.818 3.395 -8.630 23 HA VAL 4 HA VAL 4 15.624 5.717 -8.407 24 HB VAL 4 HB VAL 4 14.386 6.254 -10.719 25 HG11 VAL 4 HG11 VAL 4 16.836 4.564 -10.272 26 HG12 VAL 4 HG12 VAL 4 16.750 6.310 -10.510 27 HG13 VAL 4 HG13 VAL 4 16.384 5.218 -11.846 28 HG21 VAL 4 HG21 VAL 4 14.736 3.278 -10.912 29 HG22 VAL 4 HG22 VAL 4 13.930 4.372 -12.036 30 HG23 VAL 4 HG23 VAL 4 13.186 4.000 -10.480 31 H CYS 5 HN CYS 5 14.726 7.258 -7.215 32 HA CYS 5 HA CYS 5 11.853 7.486 -6.955 33 HB2 CYS 5 HB2 CYS 5 13.083 7.921 -4.955 34 HB3 CYS 5 HB1 CYS 5 14.186 9.013 -5.782 35 H GLY 6 HN GLY 6 10.900 8.213 -8.756 36 HA2 GLY 6 HA2 GLY 6 10.197 10.310 -9.826 37 HA3 GLY 6 HA1 GLY 6 11.902 10.744 -9.905 38 H ASN 7 HN ASN 7 10.772 7.518 -10.486 39 HA ASN 7 HA ASN 7 11.266 7.817 -13.371 40 HB2 ASN 7 HB2 ASN 7 12.416 5.912 -11.393 41 HB3 ASN 7 HB1 ASN 7 11.978 5.252 -12.968 42 HD21 ASN 7 HD21 ASN 7 13.682 5.115 -14.221 43 HD22 ASN 7 HD22 ASN 7 14.950 6.281 -14.357 44 H LYS 8 HN LYS 8 9.025 7.268 -11.098 45 HA LYS 8 HA LYS 8 6.874 6.585 -11.246 46 HB2 LYS 8 HB2 LYS 8 7.400 6.853 -13.847 47 HB3 LYS 8 HB1 LYS 8 7.246 5.102 -13.799 48 HG2 LYS 8 HG2 LYS 8 5.037 5.822 -12.427 49 HG3 LYS 8 HG1 LYS 8 5.198 7.192 -13.528 50 HD2 LYS 8 HD2 LYS 8 3.797 5.486 -14.528 51 HD3 LYS 8 HD1 LYS 8 5.312 5.621 -15.424 52 HE2 LYS 8 HE2 LYS 8 6.134 3.612 -14.577 53 HE3 LYS 8 HE1 LYS 8 5.002 3.611 -13.225 54 HZ1 LYS 8 HZ1 LYS 8 4.665 2.124 -15.382 55 HZ2 LYS 8 HZ2 LYS 8 3.843 3.511 -15.895 56 HZ3 LYS 8 HZ3 LYS 8 3.366 2.722 -14.477 57 H ILE 9 HN ILE 9 9.354 4.931 -10.460 58 HA ILE 9 HA ILE 9 7.966 2.332 -10.371 59 HB ILE 9 HB ILE 9 10.765 2.098 -9.720 60 HG12 ILE 9 HG12 ILE 9 10.142 3.250 -12.448 61 HG13 ILE 9 HG11 ILE 9 11.100 4.018 -11.185 62 HG21 ILE 9 HG21 ILE 9 10.332 0.675 -12.024 63 HG22 ILE 9 HG22 ILE 9 8.722 0.773 -11.312 64 HG23 ILE 9 HG23 ILE 9 10.058 0.096 -10.381 65 HD11 ILE 9 HD11 ILE 9 12.582 3.120 -12.818 66 HD12 ILE 9 HD12 ILE 9 11.793 1.544 -12.744 67 HD13 ILE 9 HD13 ILE 9 12.712 2.136 -11.359 68 H LEU 10 HN LEU 10 7.125 1.996 -8.424 69 HA LEU 10 HA LEU 10 7.970 3.398 -6.094 70 HB2 LEU 10 HB2 LEU 10 6.433 0.851 -5.875 71 HB3 LEU 10 HB1 LEU 10 6.236 2.350 -4.988 72 HG LEU 10 HG LEU 10 5.510 3.165 -7.467 73 HD11 LEU 10 HD11 LEU 10 3.825 1.034 -7.857 74 HD12 LEU 10 HD12 LEU 10 5.357 0.255 -7.460 75 HD13 LEU 10 HD13 LEU 10 5.269 1.394 -8.803 76 HD21 LEU 10 HD21 LEU 10 3.123 2.338 -6.518 77 HD22 LEU 10 HD22 LEU 10 3.979 3.762 -5.926 78 HD23 LEU 10 HD23 LEU 10 4.102 2.234 -5.055 79 H GLU 11 HN GLU 11 10.288 2.722 -6.578 80 HA GLU 11 HA GLU 11 10.872 0.247 -5.103 81 HB2 GLU 11 HB2 GLU 11 11.290 0.020 -7.539 82 HB3 GLU 11 HB1 GLU 11 12.449 1.336 -7.431 83 HG2 GLU 11 HG2 GLU 11 13.738 -0.031 -5.795 84 HG3 GLU 11 HG1 GLU 11 12.629 -1.363 -6.121 85 H GLN 12 HN GLN 12 12.247 3.374 -6.148 86 HA GLN 12 HA GLN 12 14.341 3.329 -4.225 87 HB2 GLN 12 HB2 GLN 12 13.879 4.800 -6.415 88 HB3 GLN 12 HB1 GLN 12 13.345 5.944 -5.195 89 HG2 GLN 12 HG2 GLN 12 15.961 4.612 -4.786 90 HG3 GLN 12 HG1 GLN 12 15.848 5.844 -6.042 91 HE21 GLN 12 HE21 GLN 12 16.078 7.886 -5.455 92 HE22 GLN 12 HE22 GLN 12 16.000 8.487 -3.837 93 H GLY 13 HN GLY 13 12.671 2.603 -2.509 94 HA2 GLY 13 HA2 GLY 13 11.358 3.060 -0.660 95 HA3 GLY 13 HA1 GLY 13 12.625 4.241 -0.381 96 H GLU 14 HN GLU 14 10.222 4.328 -2.972 97 HA GLU 14 HA GLU 14 9.357 6.922 -1.942 98 HB2 GLU 14 HB2 GLU 14 8.210 7.105 -4.200 99 HB3 GLU 14 HB1 GLU 14 9.966 7.094 -4.207 100 HG2 GLU 14 HG2 GLU 14 9.251 4.424 -4.482 101 HG3 GLU 14 HG1 GLU 14 8.100 5.304 -5.483 102 H ASP 15 HN ASP 15 7.819 4.020 -3.340 103 HA ASP 15 HA ASP 15 5.908 2.916 -2.756 104 HB2 ASP 15 HB2 ASP 15 6.647 4.044 -0.363 105 HB3 ASP 15 HB1 ASP 15 5.029 4.701 -0.595 106 H CYS 16 HN CYS 16 6.157 5.718 -4.170 107 HA CYS 16 HA CYS 16 3.769 5.814 -5.443 108 HB2 CYS 16 HB2 CYS 16 3.501 6.893 -2.754 109 HB3 CYS 16 HB1 CYS 16 3.051 8.066 -3.987 110 H ASP 17 HN ASP 17 5.493 6.328 -6.905 111 HA ASP 17 HA ASP 17 6.088 9.211 -6.922 112 HB2 ASP 17 HB2 ASP 17 8.121 8.068 -6.304 113 HB3 ASP 17 HB1 ASP 17 7.939 6.934 -7.637 114 H CYS 18 HN CYS 18 6.580 10.083 -9.038 115 HA CYS 18 HA CYS 18 5.343 8.601 -11.261 116 HB2 CYS 18 HB2 CYS 18 5.022 11.557 -10.717 117 HB3 CYS 18 HB1 CYS 18 4.323 10.657 -12.055 118 H GLY 19 HN GLY 19 6.627 8.479 -13.010 119 HA2 GLY 19 HA2 GLY 19 9.237 9.147 -13.184 120 HA3 GLY 19 HA1 GLY 19 8.199 9.091 -14.600 121 H SER 20 HN SER 20 6.554 11.315 -13.950 122 HA SER 20 HA SER 20 8.427 13.560 -13.819 123 HB2 SER 20 HB2 SER 20 6.661 12.839 -16.116 124 HB3 SER 20 HB1 SER 20 6.884 14.547 -15.738 125 HG SER 20 HG SER 20 9.006 12.706 -16.134 126 HA PRO 21 HA PRO 21 5.280 14.820 -10.859 127 HB2 PRO 21 HB2 PRO 21 6.129 17.494 -10.872 128 HB3 PRO 21 HB1 PRO 21 6.667 16.233 -9.761 129 HG2 PRO 21 HG2 PRO 21 7.970 17.267 -12.231 130 HG3 PRO 21 HG1 PRO 21 8.706 16.705 -10.719 131 HD2 PRO 21 HD2 PRO 21 8.736 15.191 -12.923 132 HD3 PRO 21 HD1 PRO 21 8.518 14.468 -11.313 133 H ALA 22 HN ALA 22 5.889 16.237 -13.989 134 HA ALA 22 HA ALA 22 3.521 17.875 -13.985 135 HB1 ALA 22 HB1 ALA 22 5.075 17.081 -16.429 136 HB2 ALA 22 HB2 ALA 22 5.678 18.298 -15.304 137 HB3 ALA 22 HB3 ALA 22 4.146 18.552 -16.140 138 H ASN 23 HN ASN 23 4.487 14.703 -15.080 139 HA ASN 23 HA ASN 23 1.785 14.235 -16.129 140 HB2 ASN 23 HB2 ASN 23 4.355 12.720 -16.632 141 HB3 ASN 23 HB1 ASN 23 2.782 12.268 -17.280 142 HD21 ASN 23 HD21 ASN 23 5.590 13.897 -17.894 143 HD22 ASN 23 HD22 ASN 23 5.057 14.890 -19.203 144 H CYS 24 HN CYS 24 2.779 14.192 -13.291 145 HA CYS 24 HA CYS 24 2.836 11.518 -12.397 146 HB2 CYS 24 HB2 CYS 24 3.779 13.356 -11.078 147 HB3 CYS 24 HB1 CYS 24 2.170 14.040 -10.875 148 H GLN 25 HN GLN 25 1.129 10.444 -13.274 149 HA GLN 25 HA GLN 25 -1.477 11.065 -12.057 150 HB2 GLN 25 HB2 GLN 25 -0.809 10.606 -14.919 151 HB3 GLN 25 HB1 GLN 25 -2.318 9.931 -14.321 152 HG2 GLN 25 HG2 GLN 25 -2.681 12.335 -13.373 153 HG3 GLN 25 HG1 GLN 25 -1.493 12.779 -14.598 154 HE21 GLN 25 HE21 GLN 25 -4.229 10.518 -14.473 155 HE22 GLN 25 HE22 GLN 25 -4.998 11.103 -15.905 156 H ASP 26 HN ASP 26 -0.568 9.441 -10.491 157 HA ASP 26 HA ASP 26 -1.263 6.740 -11.410 158 HB2 ASP 26 HB2 ASP 26 1.189 6.922 -11.174 159 HB3 ASP 26 HB1 ASP 26 0.984 7.451 -9.507 160 H ARG 27 HN ARG 27 -3.272 6.765 -10.539 161 HA ARG 27 HA ARG 27 -4.952 6.823 -9.012 162 HB2 ARG 27 HB2 ARG 27 -2.712 5.250 -7.872 163 HB3 ARG 27 HB1 ARG 27 -4.072 5.604 -6.812 164 HG2 ARG 27 HG2 ARG 27 -4.858 3.672 -7.663 165 HG3 ARG 27 HG1 ARG 27 -5.408 4.730 -8.963 166 HD2 ARG 27 HD2 ARG 27 -3.398 4.221 -10.243 167 HD3 ARG 27 HD1 ARG 27 -2.812 3.195 -8.935 168 HE ARG 27 HE ARG 27 -5.283 2.195 -9.614 169 HH11 ARG 27 HH11 ARG 27 -2.248 2.733 -11.250 170 HH12 ARG 27 HH12 ARG 27 -2.464 1.413 -12.350 171 HH21 ARG 27 HH21 ARG 27 -5.569 0.460 -11.060 172 HH22 ARG 27 HH22 ARG 27 -4.350 0.123 -12.243 173 H CYS 28 HN CYS 28 -2.589 6.959 -6.462 174 HA CYS 28 HA CYS 28 -3.265 9.759 -5.899 175 HB2 CYS 28 HB2 CYS 28 -3.367 7.503 -3.885 176 HB3 CYS 28 HB1 CYS 28 -3.533 9.211 -3.497 177 H CYS 29 HN CYS 29 -0.848 8.551 -7.002 178 HA CYS 29 HA CYS 29 1.056 8.838 -4.789 179 HB2 CYS 29 HB2 CYS 29 1.442 7.803 -7.602 180 HB3 CYS 29 HB1 CYS 29 2.716 7.920 -6.396 181 H ASN 30 HN ASN 30 2.545 10.438 -4.682 182 HA ASN 30 HA ASN 30 2.442 12.494 -6.788 183 HB2 ASN 30 HB2 ASN 30 1.589 13.202 -4.553 184 HB3 ASN 30 HB1 ASN 30 3.183 12.880 -3.882 185 HD21 ASN 30 HD21 ASN 30 4.386 14.608 -3.656 186 HD22 ASN 30 HD22 ASN 30 4.339 16.025 -4.643 187 H ALA 31 HN ALA 31 4.258 13.021 -7.824 188 HA ALA 31 HA ALA 31 6.637 11.478 -7.392 189 HB1 ALA 31 HB1 ALA 31 5.495 13.007 -9.505 190 HB2 ALA 31 HB2 ALA 31 6.849 11.881 -9.564 191 HB3 ALA 31 HB3 ALA 31 7.136 13.585 -9.217 192 H ALA 32 HN ALA 32 5.691 14.851 -6.977 193 HA ALA 32 HA ALA 32 8.154 15.970 -6.362 194 HB1 ALA 32 HB1 ALA 32 5.536 16.840 -6.424 195 HB2 ALA 32 HB2 ALA 32 6.953 17.816 -6.037 196 HB3 ALA 32 HB3 ALA 32 6.013 17.072 -4.742 197 H THR 33 HN THR 33 6.360 13.684 -4.555 198 HA THR 33 HA THR 33 8.038 14.216 -2.191 199 HB THR 33 HB THR 33 5.572 14.621 -1.872 200 HG1 THR 33 HG1 THR 33 5.570 13.643 0.103 201 HG21 THR 33 HG21 THR 33 3.985 12.988 -1.985 202 HG22 THR 33 HG22 THR 33 5.151 11.683 -1.762 203 HG23 THR 33 HG23 THR 33 5.028 12.499 -3.320 204 H CYS 34 HN CYS 34 6.974 11.950 -4.556 205 HA CYS 34 HA CYS 34 7.563 9.811 -5.009 206 HB2 CYS 34 HB2 CYS 34 9.829 10.908 -3.607 207 HB3 CYS 34 HB1 CYS 34 9.617 9.226 -3.139 208 H LYS 35 HN LYS 35 5.514 10.392 -3.206 209 HA LYS 35 HA LYS 35 5.257 7.868 -1.882 210 HB2 LYS 35 HB2 LYS 35 5.639 8.395 0.277 211 HB3 LYS 35 HB1 LYS 35 6.571 9.726 -0.388 212 HG2 LYS 35 HG2 LYS 35 5.318 10.931 1.033 213 HG3 LYS 35 HG1 LYS 35 4.151 10.886 -0.287 214 HD2 LYS 35 HD2 LYS 35 2.715 9.650 0.902 215 HD3 LYS 35 HD1 LYS 35 3.983 8.540 1.422 216 HE2 LYS 35 HE2 LYS 35 4.382 9.682 3.351 217 HE3 LYS 35 HE1 LYS 35 3.946 11.239 2.647 218 HZ1 LYS 35 HZ1 LYS 35 2.227 9.200 3.860 219 HZ2 LYS 35 HZ2 LYS 35 1.584 10.147 2.615 220 HZ3 LYS 35 HZ3 LYS 35 2.177 10.884 4.016 221 H LEU 36 HN LEU 36 3.145 7.876 -0.523 222 HA LEU 36 HA LEU 36 0.996 8.304 -2.158 223 HB2 LEU 36 HB2 LEU 36 1.162 8.236 0.845 224 HB3 LEU 36 HB1 LEU 36 -0.369 8.327 -0.005 225 HG LEU 36 HG LEU 36 1.446 6.149 -0.847 226 HD11 LEU 36 HD11 LEU 36 0.097 6.185 1.845 227 HD12 LEU 36 HD12 LEU 36 1.820 6.012 1.514 228 HD13 LEU 36 HD13 LEU 36 0.700 4.730 1.052 229 HD21 LEU 36 HD21 LEU 36 -1.401 5.805 -0.074 230 HD22 LEU 36 HD22 LEU 36 -0.494 5.091 -1.407 231 HD23 LEU 36 HD23 LEU 36 -1.038 6.765 -1.508 232 H THR 37 HN THR 37 -0.453 9.905 -2.568 233 HA THR 37 HA THR 37 0.382 12.597 -2.116 234 HB THR 37 HB THR 37 -1.747 13.178 -3.283 235 HG1 THR 37 HG1 THR 37 -3.249 11.743 -3.509 236 HG21 THR 37 HG21 THR 37 -1.201 11.465 -5.307 237 HG22 THR 37 HG22 THR 37 0.317 11.442 -4.411 238 HG23 THR 37 HG23 THR 37 -0.337 12.971 -4.999 239 HA PRO 38 HA PRO 38 -1.629 13.767 1.618 240 HB2 PRO 38 HB2 PRO 38 -3.021 16.033 0.789 241 HB3 PRO 38 HB1 PRO 38 -1.337 16.001 1.317 242 HG2 PRO 38 HG2 PRO 38 -2.458 15.990 -1.449 243 HG3 PRO 38 HG1 PRO 38 -1.016 16.812 -0.823 244 HD2 PRO 38 HD2 PRO 38 -0.819 14.574 -2.278 245 HD3 PRO 38 HD1 PRO 38 0.272 14.880 -0.910 246 H GLY 39 HN GLY 39 -3.238 12.531 2.350 247 HA2 GLY 39 HA2 GLY 39 -5.659 12.501 2.737 248 HA3 GLY 39 HA1 GLY 39 -5.862 12.740 1.007 249 H SER 40 HN SER 40 -3.665 10.826 0.420 250 HA SER 40 HA SER 40 -5.251 8.385 0.752 251 HB2 SER 40 HB2 SER 40 -2.994 9.009 -1.168 252 HB3 SER 40 HB1 SER 40 -3.897 7.495 -1.117 253 HG SER 40 HG SER 40 -4.714 10.035 -1.970 254 H GLN 41 HN GLN 41 -4.455 6.575 1.712 255 HA GLN 41 HA GLN 41 -1.828 6.842 3.018 256 HB2 GLN 41 HB2 GLN 41 -4.391 5.545 3.899 257 HB3 GLN 41 HB1 GLN 41 -2.852 5.094 4.619 258 HG2 GLN 41 HG2 GLN 41 -3.503 7.979 4.494 259 HG3 GLN 41 HG1 GLN 41 -4.407 6.985 5.635 260 HE21 GLN 41 HE21 GLN 41 -1.137 7.836 4.617 261 HE22 GLN 41 HE22 GLN 41 -0.406 7.628 6.168 262 H CYS 42 HN CYS 42 -3.833 4.844 1.009 263 HA CYS 42 HA CYS 42 -1.588 2.975 0.682 264 HB2 CYS 42 HB2 CYS 42 -3.814 2.298 2.103 265 HB3 CYS 42 HB1 CYS 42 -4.228 1.739 0.489 266 H ASN 43 HN ASN 43 -0.979 3.156 -1.364 267 HA ASN 43 HA ASN 43 -3.056 3.482 -3.425 268 HB2 ASN 43 HB2 ASN 43 -1.350 5.324 -3.193 269 HB3 ASN 43 HB1 ASN 43 -0.126 4.161 -3.697 270 HD21 ASN 43 HD21 ASN 43 -0.244 3.287 -5.810 271 HD22 ASN 43 HD22 ASN 43 -1.062 4.138 -7.072 272 H TYR 44 HN TYR 44 -1.044 1.220 -2.084 273 HA TYR 44 HA TYR 44 -1.542 -0.696 -4.080 274 HB2 TYR 44 HB2 TYR 44 0.213 -0.588 -5.469 275 HB3 TYR 44 HB1 TYR 44 0.616 0.954 -4.730 276 HD1 TYR 44 HD2 TYR 44 1.099 -2.694 -4.067 277 HD2 TYR 44 HD1 TYR 44 2.773 1.214 -3.972 278 HE1 TYR 44 HE2 TYR 44 3.227 -3.636 -3.302 279 HE2 TYR 44 HE1 TYR 44 4.917 0.286 -3.212 280 HH TYR 44 HH TYR 44 5.634 -1.883 -1.931 281 H GLY 45 HN GLY 45 -1.795 -2.449 -2.914 282 HA2 GLY 45 HA2 GLY 45 -0.147 -3.978 -1.525 283 HA3 GLY 45 HA1 GLY 45 -0.431 -2.702 -0.349 284 H GLU 46 HN GLU 46 -1.102 -5.223 0.344 285 HA GLU 46 HA GLU 46 -3.634 -6.161 -0.311 286 HB2 GLU 46 HB2 GLU 46 -1.815 -6.465 2.027 287 HB3 GLU 46 HB1 GLU 46 -3.467 -7.049 2.178 288 HG2 GLU 46 HG2 GLU 46 -1.872 -8.792 1.478 289 HG3 GLU 46 HG1 GLU 46 -3.177 -8.536 0.321 290 H CYS 47 HN CYS 47 -2.700 -3.954 2.305 291 HA CYS 47 HA CYS 47 -5.337 -3.724 3.355 292 HB2 CYS 47 HB2 CYS 47 -2.702 -2.453 3.847 293 HB3 CYS 47 HB1 CYS 47 -4.129 -1.593 4.412 294 H CYS 48 HN CYS 48 -3.804 -2.190 0.681 295 HA CYS 48 HA CYS 48 -5.121 0.295 0.833 296 HB2 CYS 48 HB2 CYS 48 -4.228 -0.953 -1.746 297 HB3 CYS 48 HB1 CYS 48 -4.266 0.751 -1.297 298 H ASP 49 HN ASP 49 -6.886 1.114 -0.056 299 HA ASP 49 HA ASP 49 -8.580 -0.172 -1.906 300 HB2 ASP 49 HB2 ASP 49 -8.886 -1.086 0.750 301 HB3 ASP 49 HB1 ASP 49 -10.251 -0.017 0.441 302 H GLN 50 HN GLN 50 -9.353 1.541 -2.958 303 HA GLN 50 HA GLN 50 -10.223 3.593 -3.416 304 HB2 GLN 50 HB2 GLN 50 -11.268 3.002 -0.704 305 HB3 GLN 50 HB1 GLN 50 -11.347 4.680 -1.223 306 HG2 GLN 50 HG2 GLN 50 -12.328 3.424 -3.409 307 HG3 GLN 50 HG1 GLN 50 -12.874 2.345 -2.127 308 HE21 GLN 50 HE21 GLN 50 -14.018 3.376 -0.311 309 HE22 GLN 50 HE22 GLN 50 -15.055 4.715 -0.653 310 H CYS 51 HN CYS 51 -7.481 3.293 -2.477 311 HA CYS 51 HA CYS 51 -5.682 4.598 -2.052 312 HB2 CYS 51 HB2 CYS 51 -7.772 6.632 -2.663 313 HB3 CYS 51 HB1 CYS 51 -6.269 7.188 -1.934 314 H ARG 52 HN ARG 52 -7.250 3.480 0.097 315 HA ARG 52 HA ARG 52 -6.153 5.075 2.264 316 HB2 ARG 52 HB2 ARG 52 -8.791 5.458 1.639 317 HB3 ARG 52 HB1 ARG 52 -8.897 4.185 2.846 318 HG2 ARG 52 HG2 ARG 52 -7.187 6.542 3.435 319 HG3 ARG 52 HG1 ARG 52 -8.940 6.730 3.512 320 HD2 ARG 52 HD2 ARG 52 -9.133 5.032 5.164 321 HD3 ARG 52 HD1 ARG 52 -7.456 4.535 4.939 322 HE ARG 52 HE ARG 52 -7.356 7.175 5.711 323 HH11 ARG 52 HH11 ARG 52 -8.587 4.199 7.055 324 HH12 ARG 52 HH12 ARG 52 -8.342 4.693 8.696 325 HH21 ARG 52 HH21 ARG 52 -7.033 7.826 7.869 326 HH22 ARG 52 HH22 ARG 52 -7.461 6.753 9.159 327 H PHE 53 HN PHE 53 -5.745 3.863 4.154 328 HA PHE 53 HA PHE 53 -5.227 1.131 3.745 329 HB2 PHE 53 HB2 PHE 53 -5.305 2.791 6.264 330 HB3 PHE 53 HB1 PHE 53 -4.892 1.077 6.276 331 HD1 PHE 53 HD2 PHE 53 -3.404 1.124 3.602 332 HD2 PHE 53 HD1 PHE 53 -3.210 3.595 7.056 333 HE1 PHE 53 HE2 PHE 53 -1.086 1.661 3.071 334 HE2 PHE 53 HE1 PHE 53 -0.869 4.142 6.532 335 HZ PHE 53 HZ PHE 53 0.202 3.176 4.534 336 H LYS 54 HN LYS 54 -6.223 -0.708 4.372 337 HA LYS 54 HA LYS 54 -9.056 -0.647 4.569 338 HB2 LYS 54 HB2 LYS 54 -6.962 -2.671 4.376 339 HB3 LYS 54 HB1 LYS 54 -8.284 -3.175 5.419 340 HG2 LYS 54 HG2 LYS 54 -9.817 -3.180 3.709 341 HG3 LYS 54 HG1 LYS 54 -8.905 -2.017 2.745 342 HD2 LYS 54 HD2 LYS 54 -7.248 -4.275 3.056 343 HD3 LYS 54 HD1 LYS 54 -8.855 -4.884 2.654 344 HE2 LYS 54 HE2 LYS 54 -8.813 -3.066 0.811 345 HE3 LYS 54 HE1 LYS 54 -7.071 -3.069 1.080 346 HZ1 LYS 54 HZ1 LYS 54 -8.509 -5.596 0.595 347 HZ2 LYS 54 HZ2 LYS 54 -6.876 -5.235 0.340 348 HZ3 LYS 54 HZ3 LYS 54 -8.053 -4.611 -0.703 349 H LYS 55 HN LYS 55 -9.803 0.417 6.346 350 HA LYS 55 HA LYS 55 -9.001 0.812 8.813 351 HB2 LYS 55 HB2 LYS 55 -11.278 1.344 7.993 352 HB3 LYS 55 HB1 LYS 55 -11.743 -0.331 8.257 353 HG2 LYS 55 HG2 LYS 55 -11.893 -0.082 10.498 354 HG3 LYS 55 HG1 LYS 55 -10.579 1.094 10.567 355 HD2 LYS 55 HD2 LYS 55 -12.032 2.829 9.725 356 HD3 LYS 55 HD1 LYS 55 -13.340 1.666 9.493 357 HE2 LYS 55 HE2 LYS 55 -13.992 2.464 11.509 358 HE3 LYS 55 HE1 LYS 55 -12.851 1.251 12.089 359 HZ1 LYS 55 HZ1 LYS 55 -12.668 3.587 13.036 360 HZ2 LYS 55 HZ2 LYS 55 -12.004 4.030 11.545 361 HZ3 LYS 55 HZ3 LYS 55 -11.237 2.861 12.498 362 H ALA 56 HN ALA 56 -8.248 -0.253 10.527 363 HA ALA 56 HA ALA 56 -7.506 -2.833 10.619 364 HB1 ALA 56 HB1 ALA 56 -6.689 -1.682 12.409 365 HB2 ALA 56 HB2 ALA 56 -7.958 -2.617 13.201 366 HB3 ALA 56 HB3 ALA 56 -8.241 -0.928 12.774 367 H GLY 57 HN GLY 57 -8.383 -4.778 10.891 368 HA2 GLY 57 HA2 GLY 57 -10.090 -6.190 11.938 369 HA3 GLY 57 HA1 GLY 57 -11.243 -4.892 11.649 370 H THR 58 HN THR 58 -9.611 -4.653 8.968 371 HA THR 58 HA THR 58 -11.474 -6.220 7.432 372 HB THR 58 HB THR 58 -9.108 -4.526 6.590 373 HG1 THR 58 HG1 THR 58 -10.464 -2.987 6.981 374 HG21 THR 58 HG21 THR 58 -9.400 -5.130 4.496 375 HG22 THR 58 HG22 THR 58 -11.132 -4.806 4.592 376 HG23 THR 58 HG23 THR 58 -10.503 -6.391 5.054 377 H VAL 59 HN VAL 59 -11.165 -8.297 6.910 378 HA VAL 59 HA VAL 59 -8.620 -9.538 7.392 379 HB VAL 59 HB VAL 59 -10.682 -10.738 7.943 380 HG11 VAL 59 HG11 VAL 59 -12.392 -11.107 6.529 381 HG12 VAL 59 HG12 VAL 59 -11.328 -11.402 5.154 382 HG13 VAL 59 HG13 VAL 59 -11.698 -9.748 5.643 383 HG21 VAL 59 HG21 VAL 59 -9.756 -12.493 5.802 384 HG22 VAL 59 HG22 VAL 59 -9.716 -12.718 7.551 385 HG23 VAL 59 HG23 VAL 59 -8.448 -11.788 6.752 386 H CYS 60 HN CYS 60 -7.014 -9.601 5.966 387 HA CYS 60 HA CYS 60 -7.660 -9.342 3.111 388 HB2 CYS 60 HB2 CYS 60 -4.933 -9.070 4.362 389 HB3 CYS 60 HB1 CYS 60 -5.433 -8.563 2.754 390 H ARG 61 HN ARG 61 -6.313 -11.515 5.443 391 HA ARG 61 HA ARG 61 -6.036 -13.556 3.377 392 HB2 ARG 61 HB2 ARG 61 -3.791 -12.211 4.342 393 HB3 ARG 61 HB1 ARG 61 -3.802 -13.727 5.232 394 HG2 ARG 61 HG2 ARG 61 -4.246 -14.684 2.785 395 HG3 ARG 61 HG1 ARG 61 -3.380 -13.213 2.350 396 HD2 ARG 61 HD2 ARG 61 -2.431 -15.634 3.788 397 HD3 ARG 61 HD1 ARG 61 -1.622 -14.662 2.564 398 HE ARG 61 HE ARG 61 -1.276 -14.443 5.334 399 HH11 ARG 61 HH11 ARG 61 -1.687 -12.400 2.530 400 HH12 ARG 61 HH12 ARG 61 -0.870 -11.052 3.243 401 HH21 ARG 61 HH21 ARG 61 -0.207 -12.672 6.267 402 HH22 ARG 61 HH22 ARG 61 -0.025 -11.206 5.362 403 H ILE 62 HN ILE 62 -5.163 -15.666 4.638 404 HA ILE 62 HA ILE 62 -5.875 -16.087 7.297 405 HB ILE 62 HB ILE 62 -8.158 -15.676 6.699 406 HG12 ILE 62 HG12 ILE 62 -9.196 -17.854 7.264 407 HG13 ILE 62 HG11 ILE 62 -7.653 -18.646 6.966 408 HG21 ILE 62 HG21 ILE 62 -8.462 -17.910 4.827 409 HG22 ILE 62 HG22 ILE 62 -7.514 -16.553 4.216 410 HG23 ILE 62 HG23 ILE 62 -9.161 -16.291 4.790 411 HD11 ILE 62 HD11 ILE 62 -6.694 -17.163 8.768 412 HD12 ILE 62 HD12 ILE 62 -7.835 -18.399 9.296 413 HD13 ILE 62 HD13 ILE 62 -8.356 -16.720 9.155 414 H ALA 63 HN ALA 63 -5.067 -17.974 7.938 415 HA ALA 63 HA ALA 63 -3.511 -19.528 6.216 416 HB1 ALA 63 HB1 ALA 63 -4.194 -21.051 8.534 417 HB2 ALA 63 HB2 ALA 63 -3.932 -19.366 8.987 418 HB3 ALA 63 HB3 ALA 63 -2.674 -20.254 8.130 419 H ARG 64 HN ARG 64 -6.084 -21.021 8.138 420 HA ARG 64 HA ARG 64 -7.594 -21.931 5.924 421 HB2 ARG 64 HB2 ARG 64 -5.278 -23.524 6.687 422 HB3 ARG 64 HB1 ARG 64 -6.770 -24.447 6.782 423 HG2 ARG 64 HG2 ARG 64 -5.636 -23.038 4.381 424 HG3 ARG 64 HG1 ARG 64 -5.855 -24.772 4.618 425 HD2 ARG 64 HD2 ARG 64 -8.383 -23.890 4.990 426 HD3 ARG 64 HD1 ARG 64 -7.794 -22.704 3.827 427 HE ARG 64 HE ARG 64 -7.775 -24.335 2.218 428 HH11 ARG 64 HH11 ARG 64 -8.089 -25.835 5.353 429 HH12 ARG 64 HH12 ARG 64 -8.406 -27.410 4.706 430 HH21 ARG 64 HH21 ARG 64 -8.192 -26.406 1.365 431 HH22 ARG 64 HH22 ARG 64 -8.464 -27.735 2.443 432 H GLY 65 HN GLY 65 -8.926 -20.872 7.675 433 HA2 GLY 65 HA2 GLY 65 -10.815 -22.358 8.753 434 HA3 GLY 65 HA1 GLY 65 -9.531 -22.650 9.917 435 H ASP 66 HN ASP 66 -9.470 -21.365 11.612 436 HA ASP 66 HA ASP 66 -9.905 -18.566 11.500 437 HB2 ASP 66 HB2 ASP 66 -12.184 -20.316 12.259 438 HB3 ASP 66 HB1 ASP 66 -11.918 -18.882 13.247 439 H TRP 67 HN TRP 67 -7.871 -18.741 12.524 440 HA TRP 67 HA TRP 67 -8.010 -19.495 15.371 441 HB2 TRP 67 HB2 TRP 67 -5.304 -19.459 14.598 442 HB3 TRP 67 HB1 TRP 67 -6.281 -20.871 14.978 443 HD1 TRP 67 HD1 TRP 67 -5.475 -18.687 11.857 444 HE1 TRP 67 HE1 TRP 67 -5.486 -20.224 9.808 445 HE3 TRP 67 HE3 TRP 67 -6.826 -23.051 14.132 446 HZ2 TRP 67 HZ2 TRP 67 -5.985 -22.939 9.222 447 HZ3 TRP 67 HZ3 TRP 67 -7.047 -25.082 12.756 448 HH2 TRP 67 HH2 TRP 67 -6.634 -25.024 10.349 449 H ASN 68 HN ASN 68 -5.805 -17.672 13.303 450 HA ASN 68 HA ASN 68 -5.923 -15.438 15.220 451 HB2 ASN 68 HB2 ASN 68 -3.704 -15.782 13.235 452 HB3 ASN 68 HB1 ASN 68 -3.692 -14.929 14.775 453 HD21 ASN 68 HD21 ASN 68 -3.865 -18.139 13.327 454 HD22 ASN 68 HD22 ASN 68 -3.101 -18.969 14.635 455 H ASP 69 HN ASP 69 -6.132 -16.413 11.883 456 HA ASP 69 HA ASP 69 -6.903 -15.367 10.018 457 HB2 ASP 69 HB2 ASP 69 -8.088 -13.721 12.203 458 HB3 ASP 69 HB1 ASP 69 -8.214 -13.161 10.540 459 H ASP 70 HN ASP 70 -6.850 -13.250 8.806 460 HA ASP 70 HA ASP 70 -4.419 -11.761 9.510 461 HB2 ASP 70 HB2 ASP 70 -4.163 -13.211 7.484 462 HB3 ASP 70 HB1 ASP 70 -5.461 -12.300 6.729 463 H TYR 71 HN TYR 71 -4.857 -9.735 10.060 464 HA TYR 71 HA TYR 71 -7.109 -8.417 8.711 465 HB2 TYR 71 HB2 TYR 71 -6.556 -8.624 11.648 466 HB3 TYR 71 HB1 TYR 71 -7.542 -7.326 10.980 467 HD1 TYR 71 HD1 TYR 71 -9.538 -7.953 9.602 468 HD2 TYR 71 HD2 TYR 71 -7.498 -10.734 12.069 469 HE1 TYR 71 HE1 TYR 71 -11.523 -9.377 9.590 470 HE2 TYR 71 HE2 TYR 71 -9.467 -12.195 12.077 471 HH TYR 71 HH TYR 71 -12.066 -11.789 11.730 472 H CYS 72 HN CYS 72 -6.965 -6.312 8.299 473 HA CYS 72 HA CYS 72 -4.393 -5.117 8.177 474 HB2 CYS 72 HB2 CYS 72 -6.399 -4.719 6.636 475 HB3 CYS 72 HB1 CYS 72 -7.023 -3.672 7.904 476 H THR 73 HN THR 73 -3.898 -2.960 9.129 477 HA THR 73 HA THR 73 -5.045 -2.707 11.831 478 HB THR 73 HB THR 73 -2.934 -2.270 12.751 479 HG1 THR 73 HG1 THR 73 -1.218 -1.581 11.617 480 HG21 THR 73 HG21 THR 73 -1.778 -4.097 10.772 481 HG22 THR 73 HG22 THR 73 -3.274 -4.649 11.525 482 HG23 THR 73 HG23 THR 73 -1.884 -4.233 12.528 483 H GLY 74 HN GLY 74 -5.314 -1.299 9.030 484 HA2 GLY 74 HA2 GLY 74 -5.664 0.832 8.251 485 HA3 GLY 74 HA1 GLY 74 -6.210 1.154 9.888 486 H LYS 75 HN LYS 75 -2.919 0.191 9.303 487 HA LYS 75 HA LYS 75 -2.042 2.981 9.564 488 HB2 LYS 75 HB2 LYS 75 -0.802 0.711 11.116 489 HB3 LYS 75 HB1 LYS 75 -0.440 2.425 11.258 490 HG2 LYS 75 HG2 LYS 75 -3.184 2.204 11.737 491 HG3 LYS 75 HG1 LYS 75 -2.438 0.858 12.602 492 HD2 LYS 75 HD2 LYS 75 -1.647 3.763 12.828 493 HD3 LYS 75 HD1 LYS 75 -2.591 2.854 14.010 494 HE2 LYS 75 HE2 LYS 75 -0.645 2.384 14.994 495 HE3 LYS 75 HE1 LYS 75 -0.355 1.286 13.645 496 HZ1 LYS 75 HZ1 LYS 75 0.843 3.860 14.227 497 HZ2 LYS 75 HZ2 LYS 75 0.447 3.607 12.602 498 HZ3 LYS 75 HZ3 LYS 75 1.481 2.530 13.398 499 H SER 76 HN SER 76 -1.945 0.363 7.645 500 HA SER 76 HA SER 76 0.326 1.274 6.210 501 HB2 SER 76 HB2 SER 76 1.314 -0.044 8.195 502 HB3 SER 76 HB1 SER 76 0.720 -1.478 7.359 503 HG SER 76 HG SER 76 2.647 -1.286 6.466 504 H SER 77 HN SER 77 0.944 -0.378 4.453 505 HA SER 77 HA SER 77 -1.526 -1.245 3.188 506 HB2 SER 77 HB2 SER 77 -0.313 -1.301 1.168 507 HB3 SER 77 HB1 SER 77 0.370 0.070 2.041 508 HG SER 77 HG SER 77 2.115 -1.213 2.626 509 H ASP 78 HN ASP 78 0.143 -2.666 5.448 510 HA ASP 78 HA ASP 78 0.255 -5.293 4.122 511 HB2 ASP 78 HB2 ASP 78 1.883 -4.037 6.273 512 HB3 ASP 78 HB1 ASP 78 1.597 -5.771 6.383 513 H CYS 79 HN CYS 79 -0.754 -7.039 5.002 514 HA CYS 79 HA CYS 79 -2.578 -6.513 7.264 515 HB2 CYS 79 HB2 CYS 79 -3.172 -7.297 4.602 516 HB3 CYS 79 HB1 CYS 79 -3.492 -8.688 5.632 517 HA PRO 80 HA PRO 80 0.153 -9.836 8.810 518 HB2 PRO 80 HB2 PRO 80 -0.539 -9.509 11.424 519 HB3 PRO 80 HB1 PRO 80 0.676 -8.517 10.610 520 HG2 PRO 80 HG2 PRO 80 -2.205 -7.910 11.162 521 HG3 PRO 80 HG1 PRO 80 -0.786 -6.862 11.347 522 HD2 PRO 80 HD2 PRO 80 -2.426 -6.678 9.219 523 HD3 PRO 80 HD1 PRO 80 -0.679 -6.393 9.086 524 H TRP 81 HN TRP 81 -0.399 -11.902 8.811 525 HA TRP 81 HA TRP 81 -3.160 -12.667 9.328 526 HB2 TRP 81 HB2 TRP 81 -2.611 -14.794 8.269 527 HB3 TRP 81 HB1 TRP 81 -2.219 -13.432 7.232 528 HD1 TRP 81 HD1 TRP 81 0.665 -13.103 9.122 529 HE1 TRP 81 HE1 TRP 81 2.605 -14.588 8.323 530 HE3 TRP 81 HE3 TRP 81 -1.993 -16.474 6.403 531 HZ2 TRP 81 HZ2 TRP 81 2.948 -16.897 6.734 532 HZ3 TRP 81 HZ3 TRP 81 -0.797 -18.307 5.266 533 HH2 TRP 81 HH2 TRP 81 1.631 -18.513 5.435 534 H ASN 82 HN ASN 82 -0.201 -12.721 10.869 535 HA ASN 82 HA ASN 82 0.552 -13.575 12.838 536 HB2 ASN 82 HB2 ASN 82 -2.422 -13.922 13.184 537 HB3 ASN 82 HB1 ASN 82 -1.278 -14.393 14.438 538 HD21 ASN 82 HD21 ASN 82 -3.060 -12.588 15.145 539 HD22 ASN 82 HD22 ASN 82 -2.370 -11.008 15.247 540 H HIS 83 HN HIS 83 0.677 -15.255 10.591 541 HA HIS 83 HA HIS 83 0.484 -17.881 11.896 542 HB2 HIS 83 HB2 HIS 83 -0.089 -17.405 8.967 543 HB3 HIS 83 HB1 HIS 83 -0.253 -18.920 9.850 544 HD1 HIS 83 HD1 HIS 83 -2.505 -17.092 8.301 545 HD2 HIS 83 HD2 HIS 83 -2.015 -17.697 12.380 546 HE1 HIS 83 HE1 HIS 83 -4.751 -16.614 9.327 547 HE2 HIS 83 HE2 HIS 83 -4.428 -16.997 11.796 Start of MODEL 19 1 H1 SER 1 HT1 SER 1 14.790 -4.162 -11.802 2 H2 SER 1 HT2 SER 1 16.008 -3.756 -10.662 3 H3 SER 1 HT3 SER 1 15.774 -2.782 -12.056 4 HA SER 1 HA SER 1 13.540 -2.276 -11.271 5 HB2 SER 1 HB2 SER 1 14.562 -3.934 -8.971 6 HB3 SER 1 HB1 SER 1 13.291 -2.735 -8.736 7 HG SER 1 HG SER 1 11.921 -3.990 -9.738 8 HA PRO 2 HA PRO 2 16.789 0.859 -10.154 9 HB2 PRO 2 HB2 PRO 2 15.554 2.859 -11.571 10 HB3 PRO 2 HB1 PRO 2 16.774 1.774 -12.246 11 HG2 PRO 2 HG2 PRO 2 13.793 1.641 -12.456 12 HG3 PRO 2 HG1 PRO 2 15.019 1.345 -13.704 13 HD2 PRO 2 HD2 PRO 2 13.769 -0.673 -12.444 14 HD3 PRO 2 HD1 PRO 2 15.474 -0.788 -12.927 15 HA PRO 3 HA PRO 3 13.780 2.152 -6.998 16 HB2 PRO 3 HB2 PRO 3 15.588 2.702 -5.083 17 HB3 PRO 3 HB1 PRO 3 15.109 1.046 -5.471 18 HG2 PRO 3 HG2 PRO 3 17.548 2.564 -6.306 19 HG3 PRO 3 HG1 PRO 3 17.408 0.882 -5.762 20 HD2 PRO 3 HD2 PRO 3 17.595 1.608 -8.387 21 HD3 PRO 3 HD1 PRO 3 16.771 0.137 -7.833 22 H VAL 4 HN VAL 4 14.130 3.963 -8.987 23 HA VAL 4 HA VAL 4 14.904 6.431 -7.575 24 HB VAL 4 HB VAL 4 14.948 6.053 -10.563 25 HG11 VAL 4 HG11 VAL 4 15.490 8.281 -8.710 26 HG12 VAL 4 HG12 VAL 4 14.920 8.303 -10.378 27 HG13 VAL 4 HG13 VAL 4 16.635 8.080 -10.035 28 HG21 VAL 4 HG21 VAL 4 17.271 5.676 -10.487 29 HG22 VAL 4 HG22 VAL 4 16.589 4.603 -9.265 30 HG23 VAL 4 HG23 VAL 4 17.368 6.109 -8.781 31 H CYS 5 HN CYS 5 13.655 8.292 -7.913 32 HA CYS 5 HA CYS 5 10.854 7.751 -8.382 33 HB2 CYS 5 HB2 CYS 5 12.147 9.509 -6.745 34 HB3 CYS 5 HB1 CYS 5 11.752 10.561 -8.100 35 H GLY 6 HN GLY 6 10.747 7.217 -10.510 36 HA2 GLY 6 HA2 GLY 6 9.978 8.722 -12.482 37 HA3 GLY 6 HA1 GLY 6 11.685 9.155 -12.493 38 H ASN 7 HN ASN 7 10.611 5.985 -11.613 39 HA ASN 7 HA ASN 7 11.439 4.884 -14.205 40 HB2 ASN 7 HB2 ASN 7 12.456 4.231 -11.455 41 HB3 ASN 7 HB1 ASN 7 12.329 2.936 -12.644 42 HD21 ASN 7 HD21 ASN 7 13.077 4.021 -14.947 43 HD22 ASN 7 HD22 ASN 7 14.695 4.622 -14.867 44 H LYS 8 HN LYS 8 8.937 5.420 -12.422 45 HA LYS 8 HA LYS 8 6.880 4.523 -12.278 46 HB2 LYS 8 HB2 LYS 8 8.142 2.750 -14.213 47 HB3 LYS 8 HB1 LYS 8 6.985 1.894 -13.203 48 HG2 LYS 8 HG2 LYS 8 6.072 4.481 -14.274 49 HG3 LYS 8 HG1 LYS 8 6.340 3.203 -15.462 50 HD2 LYS 8 HD2 LYS 8 4.809 2.575 -12.981 51 HD3 LYS 8 HD1 LYS 8 4.012 3.473 -14.274 52 HE2 LYS 8 HE2 LYS 8 4.697 1.666 -15.851 53 HE3 LYS 8 HE1 LYS 8 5.297 0.753 -14.467 54 HZ1 LYS 8 HZ1 LYS 8 3.211 -0.094 -14.625 55 HZ2 LYS 8 HZ2 LYS 8 2.542 1.321 -15.266 56 HZ3 LYS 8 HZ3 LYS 8 2.870 1.217 -13.610 57 H ILE 9 HN ILE 9 9.401 3.940 -10.626 58 HA ILE 9 HA ILE 9 8.232 1.880 -8.890 59 HB ILE 9 HB ILE 9 11.138 2.680 -9.190 60 HG12 ILE 9 HG12 ILE 9 10.324 -0.122 -9.592 61 HG13 ILE 9 HG11 ILE 9 9.702 0.999 -10.798 62 HG21 ILE 9 HG21 ILE 9 11.328 0.527 -7.688 63 HG22 ILE 9 HG22 ILE 9 9.710 1.012 -7.183 64 HG23 ILE 9 HG23 ILE 9 11.067 2.119 -6.974 65 HD11 ILE 9 HD11 ILE 9 12.115 1.811 -11.011 66 HD12 ILE 9 HD12 ILE 9 11.707 0.236 -11.690 67 HD13 ILE 9 HD13 ILE 9 12.544 0.339 -10.142 68 H LEU 10 HN LEU 10 8.310 2.325 -6.643 69 HA LEU 10 HA LEU 10 7.973 5.112 -6.037 70 HB2 LEU 10 HB2 LEU 10 7.839 3.998 -3.615 71 HB3 LEU 10 HB1 LEU 10 6.495 3.998 -4.737 72 HG LEU 10 HG LEU 10 8.379 1.691 -4.810 73 HD11 LEU 10 HD11 LEU 10 7.952 2.055 -2.423 74 HD12 LEU 10 HD12 LEU 10 7.201 0.574 -3.017 75 HD13 LEU 10 HD13 LEU 10 6.218 2.011 -2.738 76 HD21 LEU 10 HD21 LEU 10 5.434 2.117 -5.264 77 HD22 LEU 10 HD22 LEU 10 6.182 0.521 -5.221 78 HD23 LEU 10 HD23 LEU 10 6.665 1.688 -6.453 79 H GLU 11 HN GLU 11 10.411 5.091 -6.900 80 HA GLU 11 HA GLU 11 12.682 5.156 -6.441 81 HB2 GLU 11 HB2 GLU 11 11.853 7.393 -5.984 82 HB3 GLU 11 HB1 GLU 11 11.453 6.933 -4.337 83 HG2 GLU 11 HG2 GLU 11 13.679 6.846 -3.685 84 HG3 GLU 11 HG1 GLU 11 14.256 6.711 -5.346 85 H GLN 12 HN GLN 12 12.437 2.832 -5.696 86 HA GLN 12 HA GLN 12 13.322 1.229 -4.336 87 HB2 GLN 12 HB2 GLN 12 14.724 3.453 -3.525 88 HB3 GLN 12 HB1 GLN 12 14.004 2.887 -2.026 89 HG2 GLN 12 HG2 GLN 12 15.122 0.690 -3.506 90 HG3 GLN 12 HG1 GLN 12 16.323 1.955 -3.251 91 HE21 GLN 12 HE21 GLN 12 17.466 1.711 -1.483 92 HE22 GLN 12 HE22 GLN 12 16.937 0.974 -0.013 93 H GLY 13 HN GLY 13 12.243 3.510 -1.870 94 HA2 GLY 13 HA2 GLY 13 9.825 1.972 -1.367 95 HA3 GLY 13 HA1 GLY 13 11.023 1.956 -0.076 96 H GLU 14 HN GLU 14 10.396 4.606 -2.245 97 HA GLU 14 HA GLU 14 10.251 6.525 -0.204 98 HB2 GLU 14 HB2 GLU 14 9.975 6.428 -3.129 99 HB3 GLU 14 HB1 GLU 14 9.153 7.775 -2.349 100 HG2 GLU 14 HG2 GLU 14 12.068 7.070 -2.144 101 HG3 GLU 14 HG1 GLU 14 11.368 8.439 -3.006 102 H ASP 15 HN ASP 15 7.760 4.711 -1.880 103 HA ASP 15 HA ASP 15 5.633 4.245 -1.070 104 HB2 ASP 15 HB2 ASP 15 6.429 5.438 1.126 105 HB3 ASP 15 HB1 ASP 15 5.510 6.800 0.492 106 H CYS 16 HN CYS 16 6.552 5.778 -3.326 107 HA CYS 16 HA CYS 16 4.059 6.622 -4.322 108 HB2 CYS 16 HB2 CYS 16 4.623 8.632 -2.963 109 HB3 CYS 16 HB1 CYS 16 6.059 8.836 -3.961 110 H ASP 17 HN ASP 17 4.432 5.388 -6.075 111 HA ASP 17 HA ASP 17 6.875 5.887 -7.608 112 HB2 ASP 17 HB2 ASP 17 6.594 3.711 -8.554 113 HB3 ASP 17 HB1 ASP 17 6.321 3.563 -6.818 114 H CYS 18 HN CYS 18 6.807 6.921 -9.455 115 HA CYS 18 HA CYS 18 4.577 6.779 -11.257 116 HB2 CYS 18 HB2 CYS 18 5.037 9.194 -9.558 117 HB3 CYS 18 HB1 CYS 18 4.511 9.425 -11.221 118 H GLY 19 HN GLY 19 5.394 6.863 -13.265 119 HA2 GLY 19 HA2 GLY 19 8.064 7.058 -13.883 120 HA3 GLY 19 HA1 GLY 19 6.775 7.376 -15.035 121 H SER 20 HN SER 20 5.663 9.666 -14.079 122 HA SER 20 HA SER 20 7.847 11.599 -13.814 123 HB2 SER 20 HB2 SER 20 6.055 12.861 -15.540 124 HB3 SER 20 HB1 SER 20 7.639 12.214 -15.967 125 HG SER 20 HG SER 20 6.713 10.596 -16.956 126 HA PRO 21 HA PRO 21 5.205 13.384 -10.748 127 HB2 PRO 21 HB2 PRO 21 5.945 16.029 -11.029 128 HB3 PRO 21 HB1 PRO 21 6.842 14.830 -10.093 129 HG2 PRO 21 HG2 PRO 21 7.335 15.827 -12.865 130 HG3 PRO 21 HG1 PRO 21 8.500 15.450 -11.583 131 HD2 PRO 21 HD2 PRO 21 8.065 13.770 -13.634 132 HD3 PRO 21 HD1 PRO 21 8.409 13.173 -11.997 133 H ALA 22 HN ALA 22 5.306 14.661 -14.008 134 HA ALA 22 HA ALA 22 2.803 16.096 -13.702 135 HB1 ALA 22 HB1 ALA 22 4.020 17.303 -15.180 136 HB2 ALA 22 HB2 ALA 22 3.260 16.214 -16.340 137 HB3 ALA 22 HB3 ALA 22 4.899 15.894 -15.774 138 H ASN 23 HN ASN 23 3.969 13.058 -14.941 139 HA ASN 23 HA ASN 23 1.277 12.405 -15.932 140 HB2 ASN 23 HB2 ASN 23 3.817 10.867 -16.483 141 HB3 ASN 23 HB1 ASN 23 2.271 10.724 -17.314 142 HD21 ASN 23 HD21 ASN 23 2.528 11.420 -19.306 143 HD22 ASN 23 HD22 ASN 23 3.327 12.877 -19.779 144 H CYS 24 HN CYS 24 2.431 12.361 -13.126 145 HA CYS 24 HA CYS 24 2.757 9.734 -12.245 146 HB2 CYS 24 HB2 CYS 24 3.388 11.648 -10.878 147 HB3 CYS 24 HB1 CYS 24 1.706 12.157 -10.771 148 H GLN 25 HN GLN 25 1.209 8.465 -13.246 149 HA GLN 25 HA GLN 25 -1.586 8.941 -13.051 150 HB2 GLN 25 HB2 GLN 25 -1.847 6.700 -13.958 151 HB3 GLN 25 HB1 GLN 25 -0.589 7.565 -14.830 152 HG2 GLN 25 HG2 GLN 25 1.020 6.384 -13.182 153 HG3 GLN 25 HG1 GLN 25 -0.337 5.291 -12.914 154 HE21 GLN 25 HE21 GLN 25 2.302 6.023 -14.861 155 HE22 GLN 25 HE22 GLN 25 1.977 4.925 -16.155 156 H ASP 26 HN ASP 26 -0.839 9.311 -10.518 157 HA ASP 26 HA ASP 26 -2.206 7.161 -9.131 158 HB2 ASP 26 HB2 ASP 26 0.586 8.063 -8.390 159 HB3 ASP 26 HB1 ASP 26 -0.449 7.094 -7.345 160 H ARG 27 HN ARG 27 -3.873 8.528 -8.639 161 HA ARG 27 HA ARG 27 -3.542 11.182 -7.710 162 HB2 ARG 27 HB2 ARG 27 -5.933 11.066 -7.149 163 HB3 ARG 27 HB1 ARG 27 -5.609 10.456 -8.766 164 HG2 ARG 27 HG2 ARG 27 -5.769 8.171 -7.958 165 HG3 ARG 27 HG1 ARG 27 -6.039 8.758 -6.316 166 HD2 ARG 27 HD2 ARG 27 -8.156 8.164 -7.284 167 HD3 ARG 27 HD1 ARG 27 -8.078 9.917 -7.118 168 HE ARG 27 HE ARG 27 -8.183 10.106 -9.398 169 HH11 ARG 27 HH11 ARG 27 -7.429 6.801 -8.569 170 HH12 ARG 27 HH12 ARG 27 -7.612 6.221 -10.190 171 HH21 ARG 27 HH21 ARG 27 -8.426 9.345 -11.531 172 HH22 ARG 27 HH22 ARG 27 -8.178 7.665 -11.872 173 H CYS 28 HN CYS 28 -3.082 8.209 -6.152 174 HA CYS 28 HA CYS 28 -3.681 9.280 -3.506 175 HB2 CYS 28 HB2 CYS 28 -2.588 6.543 -4.106 176 HB3 CYS 28 HB1 CYS 28 -3.481 7.068 -2.685 177 H CYS 29 HN CYS 29 -1.251 9.916 -5.396 178 HA CYS 29 HA CYS 29 0.576 10.458 -3.336 179 HB2 CYS 29 HB2 CYS 29 1.963 8.694 -3.236 180 HB3 CYS 29 HB1 CYS 29 0.667 7.801 -4.017 181 H ASN 30 HN ASN 30 2.327 11.718 -4.002 182 HA ASN 30 HA ASN 30 2.250 12.471 -6.852 183 HB2 ASN 30 HB2 ASN 30 2.894 14.708 -6.233 184 HB3 ASN 30 HB1 ASN 30 1.500 14.239 -5.268 185 HD21 ASN 30 HD21 ASN 30 4.187 15.921 -5.093 186 HD22 ASN 30 HD22 ASN 30 4.631 15.674 -3.443 187 H ALA 31 HN ALA 31 4.001 12.152 -8.037 188 HA ALA 31 HA ALA 31 6.303 10.873 -6.988 189 HB1 ALA 31 HB1 ALA 31 6.709 10.389 -9.126 190 HB2 ALA 31 HB2 ALA 31 6.681 12.086 -9.605 191 HB3 ALA 31 HB3 ALA 31 5.174 11.179 -9.483 192 H ALA 32 HN ALA 32 5.561 14.204 -7.828 193 HA ALA 32 HA ALA 32 8.030 15.370 -8.020 194 HB1 ALA 32 HB1 ALA 32 5.927 16.578 -8.324 195 HB2 ALA 32 HB2 ALA 32 7.006 17.430 -7.219 196 HB3 ALA 32 HB3 ALA 32 5.638 16.515 -6.585 197 H THR 33 HN THR 33 6.564 14.001 -5.198 198 HA THR 33 HA THR 33 8.814 14.968 -3.558 199 HB THR 33 HB THR 33 6.468 15.720 -2.901 200 HG1 THR 33 HG1 THR 33 7.900 14.174 -1.007 201 HG21 THR 33 HG21 THR 33 6.175 12.933 -1.826 202 HG22 THR 33 HG22 THR 33 5.428 13.451 -3.334 203 HG23 THR 33 HG23 THR 33 4.993 14.243 -1.820 204 H CYS 34 HN CYS 34 7.012 12.279 -4.733 205 HA CYS 34 HA CYS 34 7.437 10.055 -4.719 206 HB2 CYS 34 HB2 CYS 34 9.964 11.152 -4.233 207 HB3 CYS 34 HB1 CYS 34 9.747 9.951 -2.964 208 H LYS 35 HN LYS 35 5.633 11.121 -3.045 209 HA LYS 35 HA LYS 35 5.564 9.148 -0.957 210 HB2 LYS 35 HB2 LYS 35 5.820 10.430 0.919 211 HB3 LYS 35 HB1 LYS 35 6.884 11.312 -0.164 212 HG2 LYS 35 HG2 LYS 35 5.745 13.100 0.544 213 HG3 LYS 35 HG1 LYS 35 4.527 12.576 -0.619 214 HD2 LYS 35 HD2 LYS 35 3.378 11.331 1.151 215 HD3 LYS 35 HD1 LYS 35 4.600 11.854 2.311 216 HE2 LYS 35 HE2 LYS 35 3.806 13.995 2.393 217 HE3 LYS 35 HE1 LYS 35 3.183 13.943 0.744 218 HZ1 LYS 35 HZ1 LYS 35 1.593 12.169 1.870 219 HZ2 LYS 35 HZ2 LYS 35 1.236 13.822 1.860 220 HZ3 LYS 35 HZ3 LYS 35 1.917 13.113 3.236 221 H LEU 36 HN LEU 36 3.509 9.087 0.151 222 HA LEU 36 HA LEU 36 1.298 9.153 -1.433 223 HB2 LEU 36 HB2 LEU 36 1.638 9.372 1.535 224 HB3 LEU 36 HB1 LEU 36 0.036 9.447 0.829 225 HG LEU 36 HG LEU 36 1.646 7.147 -0.072 226 HD11 LEU 36 HD11 LEU 36 1.305 5.894 2.009 227 HD12 LEU 36 HD12 LEU 36 0.760 7.373 2.801 228 HD13 LEU 36 HD13 LEU 36 2.421 7.243 2.223 229 HD21 LEU 36 HD21 LEU 36 -1.018 6.992 1.232 230 HD22 LEU 36 HD22 LEU 36 -0.386 6.116 -0.159 231 HD23 LEU 36 HD23 LEU 36 -0.894 7.793 -0.332 232 H THR 37 HN THR 37 -0.501 10.544 -1.685 233 HA THR 37 HA THR 37 0.196 13.376 -1.469 234 HB THR 37 HB THR 37 -2.087 13.512 -2.788 235 HG1 THR 37 HG1 THR 37 -2.813 11.695 -3.534 236 HG21 THR 37 HG21 THR 37 -0.597 12.512 -4.846 237 HG22 THR 37 HG22 THR 37 0.633 13.002 -3.681 238 HG23 THR 37 HG23 THR 37 -0.554 14.173 -4.255 239 HA PRO 38 HA PRO 38 -2.449 14.581 1.836 240 HB2 PRO 38 HB2 PRO 38 -4.271 16.273 0.522 241 HB3 PRO 38 HB1 PRO 38 -2.749 16.757 1.272 242 HG2 PRO 38 HG2 PRO 38 -3.359 16.192 -1.587 243 HG3 PRO 38 HG1 PRO 38 -2.244 17.379 -0.886 244 HD2 PRO 38 HD2 PRO 38 -1.343 15.125 -2.010 245 HD3 PRO 38 HD1 PRO 38 -0.573 15.797 -0.556 246 H GLY 39 HN GLY 39 -3.765 13.064 2.630 247 HA2 GLY 39 HA2 GLY 39 -5.973 12.239 2.958 248 HA3 GLY 39 HA1 GLY 39 -6.323 12.593 1.272 249 H SER 40 HN SER 40 -3.501 11.312 0.815 250 HA SER 40 HA SER 40 -4.566 8.642 0.388 251 HB2 SER 40 HB2 SER 40 -1.818 9.533 -0.432 252 HB3 SER 40 HB1 SER 40 -2.871 8.341 -1.196 253 HG SER 40 HG SER 40 -3.151 11.161 -1.195 254 H GLN 41 HN GLN 41 -4.280 7.123 1.888 255 HA GLN 41 HA GLN 41 -1.894 7.289 3.604 256 HB2 GLN 41 HB2 GLN 41 -4.710 6.825 4.181 257 HB3 GLN 41 HB1 GLN 41 -3.672 5.592 4.883 258 HG2 GLN 41 HG2 GLN 41 -3.382 8.561 5.279 259 HG3 GLN 41 HG1 GLN 41 -4.094 7.429 6.429 260 HE21 GLN 41 HE21 GLN 41 -1.164 8.566 4.958 261 HE22 GLN 41 HE22 GLN 41 -0.072 7.788 6.048 262 H CYS 42 HN CYS 42 -2.480 5.761 0.928 263 HA CYS 42 HA CYS 42 -1.137 3.345 1.827 264 HB2 CYS 42 HB2 CYS 42 -2.663 1.816 0.792 265 HB3 CYS 42 HB1 CYS 42 -3.548 2.821 1.927 266 H ASN 43 HN ASN 43 -2.539 4.857 -1.068 267 HA ASN 43 HA ASN 43 -1.693 5.261 -3.129 268 HB2 ASN 43 HB2 ASN 43 0.211 6.272 -2.039 269 HB3 ASN 43 HB1 ASN 43 0.942 4.694 -1.764 270 HD21 ASN 43 HD21 ASN 43 2.749 4.806 -2.936 271 HD22 ASN 43 HD22 ASN 43 2.811 5.123 -4.633 272 H TYR 44 HN TYR 44 -0.876 2.299 -1.532 273 HA TYR 44 HA TYR 44 -1.649 0.637 -3.610 274 HB2 TYR 44 HB2 TYR 44 0.357 -0.135 -4.614 275 HB3 TYR 44 HB1 TYR 44 0.474 1.619 -4.646 276 HD1 TYR 44 HD1 TYR 44 1.724 -1.445 -3.037 277 HD2 TYR 44 HD2 TYR 44 2.164 2.772 -3.386 278 HE1 TYR 44 HE1 TYR 44 3.885 -1.581 -1.873 279 HE2 TYR 44 HE2 TYR 44 4.328 2.647 -2.224 280 HH TYR 44 HH TYR 44 5.390 0.923 -0.492 281 H GLY 45 HN GLY 45 -0.996 -1.683 -3.201 282 HA2 GLY 45 HA2 GLY 45 0.053 -3.234 -1.630 283 HA3 GLY 45 HA1 GLY 45 -0.284 -2.070 -0.360 284 H GLU 46 HN GLU 46 -1.015 -4.629 0.032 285 HA GLU 46 HA GLU 46 -3.554 -5.411 -0.830 286 HB2 GLU 46 HB2 GLU 46 -1.767 -6.089 1.442 287 HB3 GLU 46 HB1 GLU 46 -3.456 -6.551 1.597 288 HG2 GLU 46 HG2 GLU 46 -2.031 -8.340 0.680 289 HG3 GLU 46 HG1 GLU 46 -3.344 -7.871 -0.399 290 H CYS 47 HN CYS 47 -2.565 -3.580 2.033 291 HA CYS 47 HA CYS 47 -5.221 -3.277 3.029 292 HB2 CYS 47 HB2 CYS 47 -2.529 -2.219 3.741 293 HB3 CYS 47 HB1 CYS 47 -3.945 -1.397 4.387 294 H CYS 48 HN CYS 48 -3.426 -1.646 0.599 295 HA CYS 48 HA CYS 48 -4.558 0.922 0.843 296 HB2 CYS 48 HB2 CYS 48 -2.522 0.398 -0.491 297 HB3 CYS 48 HB1 CYS 48 -3.541 -0.428 -1.665 298 H ASP 49 HN ASP 49 -6.383 1.797 0.113 299 HA ASP 49 HA ASP 49 -8.016 0.610 -1.915 300 HB2 ASP 49 HB2 ASP 49 -8.446 -0.503 0.514 301 HB3 ASP 49 HB1 ASP 49 -9.540 0.873 0.614 302 H GLN 50 HN GLN 50 -8.338 2.450 -3.015 303 HA GLN 50 HA GLN 50 -9.022 4.559 -3.534 304 HB2 GLN 50 HB2 GLN 50 -11.054 3.664 -2.202 305 HB3 GLN 50 HB1 GLN 50 -10.467 4.689 -0.900 306 HG2 GLN 50 HG2 GLN 50 -10.477 6.531 -2.759 307 HG3 GLN 50 HG1 GLN 50 -11.628 5.443 -3.533 308 HE21 GLN 50 HE21 GLN 50 -11.642 8.144 -1.973 309 HE22 GLN 50 HE22 GLN 50 -13.032 7.982 -0.960 310 H CYS 51 HN CYS 51 -6.532 4.291 -2.350 311 HA CYS 51 HA CYS 51 -4.845 5.534 -1.477 312 HB2 CYS 51 HB2 CYS 51 -6.633 7.911 -1.146 313 HB3 CYS 51 HB1 CYS 51 -4.943 7.846 -1.627 314 H ARG 52 HN ARG 52 -6.789 4.094 0.245 315 HA ARG 52 HA ARG 52 -5.972 5.332 2.761 316 HB2 ARG 52 HB2 ARG 52 -8.830 4.651 2.060 317 HB3 ARG 52 HB1 ARG 52 -8.274 4.919 3.706 318 HG2 ARG 52 HG2 ARG 52 -7.695 7.023 1.700 319 HG3 ARG 52 HG1 ARG 52 -9.360 6.841 2.254 320 HD2 ARG 52 HD2 ARG 52 -8.765 8.143 3.968 321 HD3 ARG 52 HD1 ARG 52 -7.923 6.726 4.592 322 HE ARG 52 HE ARG 52 -6.095 7.854 2.951 323 HH11 ARG 52 HH11 ARG 52 -8.036 9.098 5.571 324 HH12 ARG 52 HH12 ARG 52 -6.868 10.288 6.038 325 HH21 ARG 52 HH21 ARG 52 -4.557 9.419 3.563 326 HH22 ARG 52 HH22 ARG 52 -4.893 10.471 4.898 327 H PHE 53 HN PHE 53 -5.559 3.877 4.387 328 HA PHE 53 HA PHE 53 -5.155 1.170 3.628 329 HB2 PHE 53 HB2 PHE 53 -4.903 2.646 6.238 330 HB3 PHE 53 HB1 PHE 53 -4.706 0.898 6.164 331 HD1 PHE 53 HD2 PHE 53 -3.379 0.913 3.376 332 HD2 PHE 53 HD1 PHE 53 -2.682 3.120 6.947 333 HE1 PHE 53 HE2 PHE 53 -1.036 1.205 2.729 334 HE2 PHE 53 HE1 PHE 53 -0.326 3.418 6.304 335 HZ PHE 53 HZ PHE 53 0.503 2.458 4.191 336 H LYS 54 HN LYS 54 -6.257 -0.657 4.112 337 HA LYS 54 HA LYS 54 -9.041 -0.474 4.507 338 HB2 LYS 54 HB2 LYS 54 -7.051 -2.625 4.223 339 HB3 LYS 54 HB1 LYS 54 -8.470 -3.067 5.160 340 HG2 LYS 54 HG2 LYS 54 -9.811 -3.082 3.365 341 HG3 LYS 54 HG1 LYS 54 -9.051 -1.655 2.658 342 HD2 LYS 54 HD2 LYS 54 -7.058 -3.249 2.200 343 HD3 LYS 54 HD1 LYS 54 -8.245 -4.532 2.444 344 HE2 LYS 54 HE2 LYS 54 -9.126 -2.376 0.661 345 HE3 LYS 54 HE1 LYS 54 -7.744 -3.294 0.068 346 HZ1 LYS 54 HZ1 LYS 54 -10.269 -4.537 1.008 347 HZ2 LYS 54 HZ2 LYS 54 -8.981 -5.306 0.226 348 HZ3 LYS 54 HZ3 LYS 54 -9.936 -4.192 -0.615 349 H LYS 55 HN LYS 55 -9.910 0.259 6.338 350 HA LYS 55 HA LYS 55 -8.949 0.610 8.797 351 HB2 LYS 55 HB2 LYS 55 -11.252 1.175 8.115 352 HB3 LYS 55 HB1 LYS 55 -11.699 -0.520 8.253 353 HG2 LYS 55 HG2 LYS 55 -11.463 -0.504 10.590 354 HG3 LYS 55 HG1 LYS 55 -10.586 1.027 10.571 355 HD2 LYS 55 HD2 LYS 55 -12.872 1.810 9.406 356 HD3 LYS 55 HD1 LYS 55 -13.491 0.495 10.407 357 HE2 LYS 55 HE2 LYS 55 -11.910 1.746 12.192 358 HE3 LYS 55 HE1 LYS 55 -12.379 3.115 11.184 359 HZ1 LYS 55 HZ1 LYS 55 -13.992 1.492 12.978 360 HZ2 LYS 55 HZ2 LYS 55 -14.735 1.949 11.529 361 HZ3 LYS 55 HZ3 LYS 55 -14.131 3.130 12.579 362 H ALA 56 HN ALA 56 -8.121 -0.534 10.415 363 HA ALA 56 HA ALA 56 -7.336 -3.102 10.362 364 HB1 ALA 56 HB1 ALA 56 -8.065 -1.320 12.624 365 HB2 ALA 56 HB2 ALA 56 -6.509 -2.037 12.201 366 HB3 ALA 56 HB3 ALA 56 -7.756 -3.023 12.966 367 H GLY 57 HN GLY 57 -8.229 -5.051 10.362 368 HA2 GLY 57 HA2 GLY 57 -9.886 -6.561 11.410 369 HA3 GLY 57 HA1 GLY 57 -11.057 -5.262 11.219 370 H THR 58 HN THR 58 -9.441 -4.865 8.525 371 HA THR 58 HA THR 58 -11.330 -6.344 6.930 372 HB THR 58 HB THR 58 -8.955 -4.655 6.104 373 HG1 THR 58 HG1 THR 58 -10.277 -3.186 6.874 374 HG21 THR 58 HG21 THR 58 -9.415 -5.051 3.980 375 HG22 THR 58 HG22 THR 58 -11.139 -4.775 4.232 376 HG23 THR 58 HG23 THR 58 -10.449 -6.373 4.527 377 H VAL 59 HN VAL 59 -11.013 -8.482 6.667 378 HA VAL 59 HA VAL 59 -8.482 -9.725 6.915 379 HB VAL 59 HB VAL 59 -10.534 -10.955 7.414 380 HG11 VAL 59 HG11 VAL 59 -11.210 -11.384 4.573 381 HG12 VAL 59 HG12 VAL 59 -11.620 -9.808 5.252 382 HG13 VAL 59 HG13 VAL 59 -12.257 -11.279 5.989 383 HG21 VAL 59 HG21 VAL 59 -9.266 -12.738 7.033 384 HG22 VAL 59 HG22 VAL 59 -8.409 -11.909 5.734 385 HG23 VAL 59 HG23 VAL 59 -9.900 -12.785 5.388 386 H CYS 60 HN CYS 60 -6.889 -9.788 5.486 387 HA CYS 60 HA CYS 60 -7.533 -9.389 2.639 388 HB2 CYS 60 HB2 CYS 60 -4.804 -9.171 3.906 389 HB3 CYS 60 HB1 CYS 60 -5.299 -8.606 2.315 390 H ARG 61 HN ARG 61 -6.173 -11.602 4.922 391 HA ARG 61 HA ARG 61 -6.031 -13.658 2.886 392 HB2 ARG 61 HB2 ARG 61 -3.580 -13.151 4.565 393 HB3 ARG 61 HB1 ARG 61 -3.751 -14.249 3.203 394 HG2 ARG 61 HG2 ARG 61 -4.052 -12.311 1.715 395 HG3 ARG 61 HG1 ARG 61 -3.782 -11.242 3.092 396 HD2 ARG 61 HD2 ARG 61 -1.822 -13.272 2.022 397 HD3 ARG 61 HD1 ARG 61 -1.754 -11.533 1.746 398 HE ARG 61 HE ARG 61 -1.730 -12.405 4.517 399 HH11 ARG 61 HH11 ARG 61 0.131 -11.382 1.744 400 HH12 ARG 61 HH12 ARG 61 1.509 -10.926 2.686 401 HH21 ARG 61 HH21 ARG 61 0.081 -11.810 5.750 402 HH22 ARG 61 HH22 ARG 61 1.483 -11.170 4.959 403 H ILE 62 HN ILE 62 -5.315 -15.786 3.906 404 HA ILE 62 HA ILE 62 -5.765 -16.099 6.732 405 HB ILE 62 HB ILE 62 -7.664 -17.580 4.922 406 HG12 ILE 62 HG12 ILE 62 -9.425 -16.019 5.942 407 HG13 ILE 62 HG11 ILE 62 -8.086 -14.952 6.338 408 HG21 ILE 62 HG21 ILE 62 -8.492 -18.525 6.792 409 HG22 ILE 62 HG22 ILE 62 -8.272 -17.065 7.757 410 HG23 ILE 62 HG23 ILE 62 -6.900 -18.128 7.438 411 HD11 ILE 62 HD11 ILE 62 -9.470 -15.311 3.852 412 HD12 ILE 62 HD12 ILE 62 -7.740 -15.590 3.653 413 HD13 ILE 62 HD13 ILE 62 -8.315 -14.066 4.329 414 H ALA 63 HN ALA 63 -4.492 -17.694 7.393 415 HA ALA 63 HA ALA 63 -2.727 -19.088 5.860 416 HB1 ALA 63 HB1 ALA 63 -3.483 -19.100 8.567 417 HB2 ALA 63 HB2 ALA 63 -2.021 -19.771 7.844 418 HB3 ALA 63 HB3 ALA 63 -3.453 -20.783 8.039 419 H ARG 64 HN ARG 64 -5.524 -20.743 7.314 420 HA ARG 64 HA ARG 64 -6.546 -21.836 4.963 421 HB2 ARG 64 HB2 ARG 64 -4.120 -22.959 5.364 422 HB3 ARG 64 HB1 ARG 64 -5.125 -24.075 6.276 423 HG2 ARG 64 HG2 ARG 64 -4.917 -24.945 4.085 424 HG3 ARG 64 HG1 ARG 64 -6.558 -24.313 4.236 425 HD2 ARG 64 HD2 ARG 64 -5.801 -22.228 3.126 426 HD3 ARG 64 HD1 ARG 64 -4.219 -22.969 2.887 427 HE ARG 64 HE ARG 64 -5.086 -24.168 1.144 428 HH11 ARG 64 HH11 ARG 64 -7.719 -22.892 3.045 429 HH12 ARG 64 HH12 ARG 64 -8.937 -23.383 1.917 430 HH21 ARG 64 HH21 ARG 64 -6.687 -24.816 -0.342 431 HH22 ARG 64 HH22 ARG 64 -8.352 -24.476 -0.006 432 H GLY 65 HN GLY 65 -8.165 -20.993 6.612 433 HA2 GLY 65 HA2 GLY 65 -9.989 -22.735 7.389 434 HA3 GLY 65 HA1 GLY 65 -8.821 -22.948 8.685 435 H ASP 66 HN ASP 66 -9.074 -21.733 10.425 436 HA ASP 66 HA ASP 66 -9.832 -19.004 10.350 437 HB2 ASP 66 HB2 ASP 66 -11.988 -19.331 11.666 438 HB3 ASP 66 HB1 ASP 66 -12.058 -19.713 9.949 439 H TRP 67 HN TRP 67 -7.876 -19.047 11.566 440 HA TRP 67 HA TRP 67 -8.254 -19.852 14.377 441 HB2 TRP 67 HB2 TRP 67 -5.495 -19.587 13.913 442 HB3 TRP 67 HB1 TRP 67 -6.388 -21.082 14.156 443 HD1 TRP 67 HD1 TRP 67 -5.386 -18.765 11.204 444 HE1 TRP 67 HE1 TRP 67 -5.033 -20.243 9.136 445 HE3 TRP 67 HE3 TRP 67 -6.693 -23.273 13.205 446 HZ2 TRP 67 HZ2 TRP 67 -5.269 -22.964 8.440 447 HZ3 TRP 67 HZ3 TRP 67 -6.601 -25.274 11.771 448 HH2 TRP 67 HH2 TRP 67 -5.902 -25.120 9.436 449 H ASN 68 HN ASN 68 -6.008 -17.820 12.559 450 HA ASN 68 HA ASN 68 -6.530 -15.628 14.454 451 HB2 ASN 68 HB2 ASN 68 -4.063 -15.790 12.742 452 HB3 ASN 68 HB1 ASN 68 -4.305 -14.915 14.250 453 HD21 ASN 68 HD21 ASN 68 -4.027 -18.144 12.869 454 HD22 ASN 68 HD22 ASN 68 -3.374 -18.889 14.284 455 H ASP 69 HN ASP 69 -6.090 -16.529 11.090 456 HA ASP 69 HA ASP 69 -6.723 -15.556 9.138 457 HB2 ASP 69 HB2 ASP 69 -8.572 -14.343 11.127 458 HB3 ASP 69 HB1 ASP 69 -8.490 -13.598 9.534 459 H ASP 70 HN ASP 70 -6.063 -13.924 7.785 460 HA ASP 70 HA ASP 70 -4.184 -12.051 8.909 461 HB2 ASP 70 HB2 ASP 70 -3.889 -13.322 6.704 462 HB3 ASP 70 HB1 ASP 70 -5.053 -12.194 6.030 463 H TYR 71 HN TYR 71 -4.575 -9.986 9.419 464 HA TYR 71 HA TYR 71 -6.913 -8.689 8.210 465 HB2 TYR 71 HB2 TYR 71 -6.344 -9.091 11.116 466 HB3 TYR 71 HB1 TYR 71 -7.270 -7.692 10.578 467 HD1 TYR 71 HD2 TYR 71 -9.292 -8.118 9.129 468 HD2 TYR 71 HD1 TYR 71 -7.391 -11.158 11.388 469 HE1 TYR 71 HE2 TYR 71 -11.335 -9.461 8.993 470 HE2 TYR 71 HE1 TYR 71 -9.412 -12.538 11.255 471 HH TYR 71 HH TYR 71 -12.022 -11.788 9.164 472 H CYS 72 HN CYS 72 -6.823 -6.549 7.898 473 HA CYS 72 HA CYS 72 -4.267 -5.311 7.787 474 HB2 CYS 72 HB2 CYS 72 -6.247 -4.877 6.253 475 HB3 CYS 72 HB1 CYS 72 -6.943 -3.931 7.564 476 H THR 73 HN THR 73 -3.790 -3.181 8.817 477 HA THR 73 HA THR 73 -4.889 -3.079 11.549 478 HB THR 73 HB THR 73 -2.757 -2.554 12.417 479 HG1 THR 73 HG1 THR 73 -1.843 -2.278 9.747 480 HG21 THR 73 HG21 THR 73 -1.615 -4.366 10.428 481 HG22 THR 73 HG22 THR 73 -3.112 -4.939 11.166 482 HG23 THR 73 HG23 THR 73 -1.730 -4.522 12.181 483 H GLY 74 HN GLY 74 -5.222 -1.528 8.803 484 HA2 GLY 74 HA2 GLY 74 -5.688 0.622 8.153 485 HA3 GLY 74 HA1 GLY 74 -6.231 0.827 9.810 486 H LYS 75 HN LYS 75 -2.906 0.049 9.186 487 HA LYS 75 HA LYS 75 -2.165 2.863 9.605 488 HB2 LYS 75 HB2 LYS 75 -0.904 0.494 10.992 489 HB3 LYS 75 HB1 LYS 75 -0.391 2.168 11.147 490 HG2 LYS 75 HG2 LYS 75 -1.931 2.599 12.689 491 HG3 LYS 75 HG1 LYS 75 -3.208 1.835 11.740 492 HD2 LYS 75 HD2 LYS 75 -2.252 -0.385 12.502 493 HD3 LYS 75 HD1 LYS 75 -1.280 0.537 13.651 494 HE2 LYS 75 HE2 LYS 75 -3.138 1.234 14.857 495 HE3 LYS 75 HE1 LYS 75 -4.243 0.930 13.517 496 HZ1 LYS 75 HZ1 LYS 75 -4.436 -1.237 14.050 497 HZ2 LYS 75 HZ2 LYS 75 -3.995 -0.698 15.592 498 HZ3 LYS 75 HZ3 LYS 75 -2.833 -1.385 14.572 499 H SER 76 HN SER 76 -1.527 -0.165 8.054 500 HA SER 76 HA SER 76 0.559 1.143 6.468 501 HB2 SER 76 HB2 SER 76 1.570 -1.370 6.564 502 HB3 SER 76 HB1 SER 76 2.086 -0.067 7.634 503 HG SER 76 HG SER 76 0.230 -2.136 8.162 504 H SER 77 HN SER 77 1.146 -0.274 4.527 505 HA SER 77 HA SER 77 -1.333 -1.027 3.215 506 HB2 SER 77 HB2 SER 77 -0.198 -0.781 1.201 507 HB3 SER 77 HB1 SER 77 0.651 0.373 2.229 508 HG SER 77 HG SER 77 2.346 -0.716 1.624 509 H ASP 78 HN ASP 78 0.442 -2.665 5.278 510 HA ASP 78 HA ASP 78 0.471 -5.155 3.715 511 HB2 ASP 78 HB2 ASP 78 2.064 -4.262 6.110 512 HB3 ASP 78 HB1 ASP 78 1.946 -5.961 5.661 513 H CYS 79 HN CYS 79 -0.575 -6.946 4.442 514 HA CYS 79 HA CYS 79 -2.349 -6.576 6.768 515 HB2 CYS 79 HB2 CYS 79 -2.988 -7.160 4.094 516 HB3 CYS 79 HB1 CYS 79 -3.205 -8.673 4.969 517 HA PRO 80 HA PRO 80 0.371 -9.967 8.141 518 HB2 PRO 80 HB2 PRO 80 -0.180 -9.704 10.775 519 HB3 PRO 80 HB1 PRO 80 0.946 -8.635 9.930 520 HG2 PRO 80 HG2 PRO 80 -1.933 -8.178 10.631 521 HG3 PRO 80 HG1 PRO 80 -0.551 -7.079 10.811 522 HD2 PRO 80 HD2 PRO 80 -2.280 -6.894 8.743 523 HD3 PRO 80 HD1 PRO 80 -0.558 -6.500 8.577 524 H TRP 81 HN TRP 81 -0.104 -12.062 8.359 525 HA TRP 81 HA TRP 81 -2.694 -13.101 8.171 526 HB2 TRP 81 HB2 TRP 81 -0.766 -14.861 9.529 527 HB3 TRP 81 HB1 TRP 81 -1.720 -15.144 8.081 528 HD1 TRP 81 HD1 TRP 81 1.678 -13.821 9.227 529 HE1 TRP 81 HE1 TRP 81 3.235 -13.708 7.180 530 HE3 TRP 81 HE3 TRP 81 -1.728 -14.849 5.581 531 HZ2 TRP 81 HZ2 TRP 81 3.034 -14.023 4.390 532 HZ3 TRP 81 HZ3 TRP 81 -0.970 -14.933 3.236 533 HH2 TRP 81 HH2 TRP 81 1.368 -14.524 2.654 534 H ASN 82 HN ASN 82 -0.915 -12.038 10.894 535 HA ASN 82 HA ASN 82 -1.568 -11.705 13.068 536 HB2 ASN 82 HB2 ASN 82 -4.010 -12.043 11.871 537 HB3 ASN 82 HB1 ASN 82 -3.986 -13.392 13.002 538 HD21 ASN 82 HD21 ASN 82 -2.434 -12.158 15.015 539 HD22 ASN 82 HD22 ASN 82 -3.397 -10.924 15.745 540 H HIS 83 HN HIS 83 -0.090 -13.937 11.873 541 HA HIS 83 HA HIS 83 -0.615 -16.130 13.739 542 HB2 HIS 83 HB2 HIS 83 1.191 -15.989 11.309 543 HB3 HIS 83 HB1 HIS 83 0.918 -17.425 12.295 544 HD1 HIS 83 HD1 HIS 83 0.207 -17.091 9.202 545 HD2 HIS 83 HD2 HIS 83 -2.447 -16.866 12.389 546 HE1 HIS 83 HE1 HIS 83 -2.058 -17.585 8.229 547 HE2 HIS 83 HE2 HIS 83 -3.657 -17.371 10.161 Start of MODEL 20 1 H1 SER 1 HT1 SER 1 10.270 -2.338 -11.608 2 H2 SER 1 HT2 SER 1 10.681 -3.993 -11.797 3 H3 SER 1 HT3 SER 1 10.198 -3.066 -13.158 4 HA SER 1 HA SER 1 12.621 -3.529 -12.887 5 HB2 SER 1 HB2 SER 1 11.151 -1.417 -13.940 6 HB3 SER 1 HB1 SER 1 12.422 -0.618 -13.016 7 HG SER 1 HG SER 1 12.956 -2.719 -14.833 8 HA PRO 2 HA PRO 2 15.024 -2.306 -9.398 9 HB2 PRO 2 HB2 PRO 2 16.180 0.025 -10.853 10 HB3 PRO 2 HB1 PRO 2 16.999 -1.289 -9.999 11 HG2 PRO 2 HG2 PRO 2 16.921 -1.244 -12.659 12 HG3 PRO 2 HG1 PRO 2 16.754 -2.769 -11.769 13 HD2 PRO 2 HD2 PRO 2 14.666 -1.130 -13.135 14 HD3 PRO 2 HD1 PRO 2 14.804 -2.894 -12.993 15 HA PRO 3 HA PRO 3 13.245 1.216 -7.371 16 HB2 PRO 3 HB2 PRO 3 15.114 2.010 -5.634 17 HB3 PRO 3 HB1 PRO 3 14.386 0.404 -5.525 18 HG2 PRO 3 HG2 PRO 3 17.057 1.213 -6.562 19 HG3 PRO 3 HG1 PRO 3 16.591 -0.246 -5.674 20 HD2 PRO 3 HD2 PRO 3 16.934 -0.039 -8.445 21 HD3 PRO 3 HD1 PRO 3 16.121 -1.363 -7.591 22 H VAL 4 HN VAL 4 12.934 2.780 -9.002 23 HA VAL 4 HA VAL 4 15.018 4.864 -9.108 24 HB VAL 4 HB VAL 4 13.723 5.406 -11.361 25 HG11 VAL 4 HG11 VAL 4 15.434 4.055 -12.556 26 HG12 VAL 4 HG12 VAL 4 15.860 3.311 -11.015 27 HG13 VAL 4 HG13 VAL 4 16.089 5.043 -11.251 28 HG21 VAL 4 HG21 VAL 4 13.459 2.407 -11.171 29 HG22 VAL 4 HG22 VAL 4 13.029 3.423 -12.546 30 HG23 VAL 4 HG23 VAL 4 12.116 3.543 -11.042 31 H CYS 5 HN CYS 5 14.388 6.512 -7.896 32 HA CYS 5 HA CYS 5 11.584 7.132 -7.524 33 HB2 CYS 5 HB2 CYS 5 14.020 7.693 -6.134 34 HB3 CYS 5 HB1 CYS 5 13.302 9.235 -6.574 35 H GLY 6 HN GLY 6 10.561 8.151 -9.140 36 HA2 GLY 6 HA2 GLY 6 10.189 10.215 -10.334 37 HA3 GLY 6 HA1 GLY 6 11.938 10.407 -10.439 38 H ASN 7 HN ASN 7 10.433 7.350 -10.919 39 HA ASN 7 HA ASN 7 10.844 7.511 -13.826 40 HB2 ASN 7 HB2 ASN 7 12.684 6.244 -12.779 41 HB3 ASN 7 HB1 ASN 7 11.514 5.194 -11.979 42 HD21 ASN 7 HD21 ASN 7 12.997 6.069 -15.006 43 HD22 ASN 7 HD22 ASN 7 12.493 4.671 -15.888 44 H LYS 8 HN LYS 8 8.619 7.455 -11.583 45 HA LYS 8 HA LYS 8 6.431 6.903 -11.544 46 HB2 LYS 8 HB2 LYS 8 6.829 7.024 -14.166 47 HB3 LYS 8 HB1 LYS 8 6.601 5.285 -14.048 48 HG2 LYS 8 HG2 LYS 8 4.474 6.064 -12.649 49 HG3 LYS 8 HG1 LYS 8 4.662 7.485 -13.679 50 HD2 LYS 8 HD2 LYS 8 3.167 5.930 -14.751 51 HD3 LYS 8 HD1 LYS 8 4.680 5.989 -15.657 52 HE2 LYS 8 HE2 LYS 8 5.336 3.886 -14.952 53 HE3 LYS 8 HE1 LYS 8 4.301 3.930 -13.525 54 HZ1 LYS 8 HZ1 LYS 8 2.480 4.042 -15.457 55 HZ2 LYS 8 HZ2 LYS 8 3.028 2.590 -14.783 56 HZ3 LYS 8 HZ3 LYS 8 3.674 3.139 -16.247 57 H ILE 9 HN ILE 9 8.824 5.115 -10.817 58 HA ILE 9 HA ILE 9 7.379 2.569 -10.651 59 HB ILE 9 HB ILE 9 10.012 3.094 -11.419 60 HG12 ILE 9 HG12 ILE 9 8.998 0.433 -10.445 61 HG13 ILE 9 HG11 ILE 9 8.446 1.162 -11.951 62 HG21 ILE 9 HG21 ILE 9 10.714 3.375 -9.118 63 HG22 ILE 9 HG22 ILE 9 11.396 1.900 -9.804 64 HG23 ILE 9 HG23 ILE 9 10.024 1.806 -8.703 65 HD11 ILE 9 HD11 ILE 9 11.293 0.450 -11.286 66 HD12 ILE 9 HD12 ILE 9 10.721 1.140 -12.805 67 HD13 ILE 9 HD13 ILE 9 10.209 -0.478 -12.323 68 H LEU 10 HN LEU 10 6.580 1.974 -8.763 69 HA LEU 10 HA LEU 10 7.225 3.501 -6.378 70 HB2 LEU 10 HB2 LEU 10 5.482 1.117 -6.166 71 HB3 LEU 10 HB1 LEU 10 5.270 2.722 -5.494 72 HG LEU 10 HG LEU 10 4.826 3.313 -8.061 73 HD11 LEU 10 HD11 LEU 10 4.739 0.414 -7.935 74 HD12 LEU 10 HD12 LEU 10 4.741 1.489 -9.333 75 HD13 LEU 10 HD13 LEU 10 3.225 1.109 -8.515 76 HD21 LEU 10 HD21 LEU 10 2.409 3.009 -7.575 77 HD22 LEU 10 HD22 LEU 10 3.294 3.825 -6.286 78 HD23 LEU 10 HD23 LEU 10 2.855 2.125 -6.115 79 H GLU 11 HN GLU 11 9.490 2.491 -6.992 80 HA GLU 11 HA GLU 11 9.771 0.041 -5.374 81 HB2 GLU 11 HB2 GLU 11 10.104 -0.362 -7.807 82 HB3 GLU 11 HB1 GLU 11 11.437 0.782 -7.781 83 HG2 GLU 11 HG2 GLU 11 12.139 -1.585 -7.692 84 HG3 GLU 11 HG1 GLU 11 12.706 -0.623 -6.327 85 H GLN 12 HN GLN 12 11.417 2.992 -6.538 86 HA GLN 12 HA GLN 12 13.616 2.732 -4.757 87 HB2 GLN 12 HB2 GLN 12 13.648 4.206 -6.734 88 HB3 GLN 12 HB1 GLN 12 12.484 5.264 -5.953 89 HG2 GLN 12 HG2 GLN 12 14.081 6.316 -4.837 90 HG3 GLN 12 HG1 GLN 12 14.738 4.798 -4.232 91 HE21 GLN 12 HE21 GLN 12 16.526 3.938 -5.160 92 HE22 GLN 12 HE22 GLN 12 17.424 4.707 -6.419 93 H GLY 13 HN GLY 13 12.069 2.043 -2.927 94 HA2 GLY 13 HA2 GLY 13 10.881 2.506 -0.985 95 HA3 GLY 13 HA1 GLY 13 12.286 3.522 -0.723 96 H GLU 14 HN GLU 14 9.818 4.100 -3.162 97 HA GLU 14 HA GLU 14 9.253 6.651 -1.860 98 HB2 GLU 14 HB2 GLU 14 8.248 7.331 -3.997 99 HB3 GLU 14 HB1 GLU 14 9.909 6.802 -4.184 100 HG2 GLU 14 HG2 GLU 14 7.583 4.992 -4.725 101 HG3 GLU 14 HG1 GLU 14 8.259 6.061 -5.946 102 H ASP 15 HN ASP 15 7.541 3.849 -3.195 103 HA ASP 15 HA ASP 15 5.497 2.965 -2.723 104 HB2 ASP 15 HB2 ASP 15 5.336 4.909 -0.416 105 HB3 ASP 15 HB1 ASP 15 4.471 3.386 -0.598 106 H CYS 16 HN CYS 16 5.988 5.732 -4.100 107 HA CYS 16 HA CYS 16 3.595 6.115 -5.306 108 HB2 CYS 16 HB2 CYS 16 3.545 7.212 -2.600 109 HB3 CYS 16 HB1 CYS 16 3.157 8.411 -3.827 110 H ASP 17 HN ASP 17 5.078 6.577 -6.943 111 HA ASP 17 HA ASP 17 5.965 9.360 -6.955 112 HB2 ASP 17 HB2 ASP 17 7.938 8.149 -6.230 113 HB3 ASP 17 HB1 ASP 17 7.768 7.011 -7.563 114 H CYS 18 HN CYS 18 6.522 10.141 -9.082 115 HA CYS 18 HA CYS 18 5.203 8.650 -11.252 116 HB2 CYS 18 HB2 CYS 18 5.238 11.638 -10.789 117 HB3 CYS 18 HB1 CYS 18 4.587 10.847 -12.216 118 H GLY 19 HN GLY 19 6.204 8.701 -13.274 119 HA2 GLY 19 HA2 GLY 19 8.949 8.733 -13.429 120 HA3 GLY 19 HA1 GLY 19 7.895 8.987 -14.812 121 H SER 20 HN SER 20 6.737 11.428 -14.056 122 HA SER 20 HA SER 20 9.003 13.260 -13.759 123 HB2 SER 20 HB2 SER 20 8.113 12.725 -16.242 124 HB3 SER 20 HB1 SER 20 6.991 14.013 -15.807 125 HG SER 20 HG SER 20 8.550 15.389 -16.048 126 HA PRO 21 HA PRO 21 6.172 14.950 -10.701 127 HB2 PRO 21 HB2 PRO 21 7.877 17.336 -11.286 128 HB3 PRO 21 HB1 PRO 21 7.372 16.671 -9.728 129 HG2 PRO 21 HG2 PRO 21 9.835 16.252 -10.649 130 HG3 PRO 21 HG1 PRO 21 8.954 14.979 -9.785 131 HD2 PRO 21 HD2 PRO 21 9.554 15.233 -12.685 132 HD3 PRO 21 HD1 PRO 21 9.352 13.776 -11.693 133 H ALA 22 HN ALA 22 6.929 16.388 -13.812 134 HA ALA 22 HA ALA 22 4.727 18.256 -13.704 135 HB1 ALA 22 HB1 ALA 22 6.747 18.892 -14.886 136 HB2 ALA 22 HB2 ALA 22 5.389 18.814 -16.008 137 HB3 ALA 22 HB3 ALA 22 6.576 17.510 -15.968 138 H ASN 23 HN ASN 23 5.398 15.085 -14.981 139 HA ASN 23 HA ASN 23 2.733 15.003 -16.215 140 HB2 ASN 23 HB2 ASN 23 5.301 13.590 -16.795 141 HB3 ASN 23 HB1 ASN 23 3.789 12.768 -17.165 142 HD21 ASN 23 HD21 ASN 23 4.887 16.133 -17.426 143 HD22 ASN 23 HD22 ASN 23 4.489 16.311 -19.097 144 H CYS 24 HN CYS 24 3.532 14.673 -13.333 145 HA CYS 24 HA CYS 24 3.294 11.994 -12.570 146 HB2 CYS 24 HB2 CYS 24 4.156 13.785 -11.104 147 HB3 CYS 24 HB1 CYS 24 2.534 14.457 -10.999 148 H GLN 25 HN GLN 25 1.635 11.098 -13.771 149 HA GLN 25 HA GLN 25 -1.068 12.091 -13.485 150 HB2 GLN 25 HB2 GLN 25 -1.670 10.174 -14.929 151 HB3 GLN 25 HB1 GLN 25 -0.410 11.181 -15.629 152 HG2 GLN 25 HG2 GLN 25 1.177 9.567 -15.451 153 HG3 GLN 25 HG1 GLN 25 0.441 8.843 -14.022 154 HE21 GLN 25 HE21 GLN 25 0.100 6.793 -14.545 155 HE22 GLN 25 HE22 GLN 25 -0.741 6.240 -15.950 156 H ASP 26 HN ASP 26 -0.103 11.501 -10.996 157 HA ASP 26 HA ASP 26 -1.824 9.269 -10.226 158 HB2 ASP 26 HB2 ASP 26 0.962 9.649 -9.107 159 HB3 ASP 26 HB1 ASP 26 -0.175 8.369 -8.691 160 H ARG 27 HN ARG 27 -3.341 10.610 -9.355 161 HA ARG 27 HA ARG 27 -2.808 12.885 -7.794 162 HB2 ARG 27 HB2 ARG 27 -4.954 12.493 -8.902 163 HB3 ARG 27 HB1 ARG 27 -5.265 11.127 -7.840 164 HG2 ARG 27 HG2 ARG 27 -4.695 13.679 -6.490 165 HG3 ARG 27 HG1 ARG 27 -6.197 13.614 -7.413 166 HD2 ARG 27 HD2 ARG 27 -5.343 11.709 -5.236 167 HD3 ARG 27 HD1 ARG 27 -6.589 12.950 -5.111 168 HE ARG 27 HE ARG 27 -7.232 11.248 -7.240 169 HH11 ARG 27 HH11 ARG 27 -7.013 11.185 -3.758 170 HH12 ARG 27 HH12 ARG 27 -8.227 9.963 -3.579 171 HH21 ARG 27 HH21 ARG 27 -8.829 9.641 -7.007 172 HH22 ARG 27 HH22 ARG 27 -9.258 9.086 -5.423 173 H CYS 28 HN CYS 28 -2.674 9.546 -7.019 174 HA CYS 28 HA CYS 28 -2.801 10.120 -4.145 175 HB2 CYS 28 HB2 CYS 28 -3.148 7.636 -5.778 176 HB3 CYS 28 HB1 CYS 28 -2.650 7.497 -4.095 177 H CYS 29 HN CYS 29 -0.546 9.819 -6.596 178 HA CYS 29 HA CYS 29 1.577 9.292 -4.635 179 HB2 CYS 29 HB2 CYS 29 1.407 8.123 -7.420 180 HB3 CYS 29 HB1 CYS 29 2.814 8.013 -6.372 181 H ASN 30 HN ASN 30 3.049 10.863 -4.607 182 HA ASN 30 HA ASN 30 3.249 12.628 -6.960 183 HB2 ASN 30 HB2 ASN 30 2.381 13.773 -4.988 184 HB3 ASN 30 HB1 ASN 30 3.771 13.248 -4.046 185 HD21 ASN 30 HD21 ASN 30 5.032 14.910 -3.664 186 HD22 ASN 30 HD22 ASN 30 5.480 16.134 -4.797 187 H ALA 31 HN ALA 31 5.140 12.861 -7.965 188 HA ALA 31 HA ALA 31 7.347 11.181 -7.271 189 HB1 ALA 31 HB1 ALA 31 7.982 13.244 -9.203 190 HB2 ALA 31 HB2 ALA 31 6.460 12.437 -9.578 191 HB3 ALA 31 HB3 ALA 31 7.937 11.492 -9.397 192 H ALA 32 HN ALA 32 6.726 14.655 -7.171 193 HA ALA 32 HA ALA 32 9.238 15.586 -6.475 194 HB1 ALA 32 HB1 ALA 32 7.454 17.175 -5.036 195 HB2 ALA 32 HB2 ALA 32 6.538 16.589 -6.424 196 HB3 ALA 32 HB3 ALA 32 8.055 17.455 -6.670 197 H THR 33 HN THR 33 7.119 13.636 -4.614 198 HA THR 33 HA THR 33 8.739 14.150 -2.206 199 HB THR 33 HB THR 33 6.319 14.806 -2.025 200 HG1 THR 33 HG1 THR 33 6.039 13.730 -0.032 201 HG21 THR 33 HG21 THR 33 4.577 13.303 -2.068 202 HG22 THR 33 HG22 THR 33 5.637 11.908 -1.870 203 HG23 THR 33 HG23 THR 33 5.571 12.751 -3.416 204 H CYS 34 HN CYS 34 7.586 11.857 -4.496 205 HA CYS 34 HA CYS 34 7.940 9.640 -4.779 206 HB2 CYS 34 HB2 CYS 34 10.216 10.460 -3.036 207 HB3 CYS 34 HB1 CYS 34 9.891 8.735 -3.167 208 H LYS 35 HN LYS 35 5.905 10.462 -3.110 209 HA LYS 35 HA LYS 35 5.470 8.096 -1.554 210 HB2 LYS 35 HB2 LYS 35 5.719 8.848 0.577 211 HB3 LYS 35 HB1 LYS 35 6.876 9.924 -0.188 212 HG2 LYS 35 HG2 LYS 35 5.780 11.564 0.833 213 HG3 LYS 35 HG1 LYS 35 4.529 11.337 -0.388 214 HD2 LYS 35 HD2 LYS 35 3.238 9.975 1.049 215 HD3 LYS 35 HD1 LYS 35 4.576 9.777 2.183 216 HE2 LYS 35 HE2 LYS 35 4.264 11.833 3.124 217 HE3 LYS 35 HE1 LYS 35 3.614 12.533 1.642 218 HZ1 LYS 35 HZ1 LYS 35 1.661 10.904 2.134 219 HZ2 LYS 35 HZ2 LYS 35 1.747 12.394 2.930 220 HZ3 LYS 35 HZ3 LYS 35 2.241 10.984 3.722 221 H LEU 36 HN LEU 36 3.323 8.274 -0.331 222 HA LEU 36 HA LEU 36 1.289 8.883 -2.133 223 HB2 LEU 36 HB2 LEU 36 1.238 8.492 0.853 224 HB3 LEU 36 HB1 LEU 36 -0.216 8.697 -0.103 225 HG LEU 36 HG LEU 36 1.629 6.567 -1.002 226 HD11 LEU 36 HD11 LEU 36 1.875 5.865 1.151 227 HD12 LEU 36 HD12 LEU 36 0.332 5.101 0.772 228 HD13 LEU 36 HD13 LEU 36 0.368 6.609 1.685 229 HD21 LEU 36 HD21 LEU 36 -0.616 7.159 -2.000 230 HD22 LEU 36 HD22 LEU 36 -1.340 6.505 -0.530 231 HD23 LEU 36 HD23 LEU 36 -0.378 5.463 -1.579 232 H THR 37 HN THR 37 0.107 10.648 -2.566 233 HA THR 37 HA THR 37 0.954 13.176 -1.490 234 HB THR 37 HB THR 37 -0.329 14.169 -3.171 235 HG1 THR 37 HG1 THR 37 -2.337 13.371 -2.796 236 HG21 THR 37 HG21 THR 37 -0.187 11.653 -4.680 237 HG22 THR 37 HG22 THR 37 1.325 12.217 -3.969 238 HG23 THR 37 HG23 THR 37 0.428 13.258 -5.074 239 HA PRO 38 HA PRO 38 -1.990 14.148 1.635 240 HB2 PRO 38 HB2 PRO 38 -3.292 16.153 -0.148 241 HB3 PRO 38 HB1 PRO 38 -2.671 16.345 1.495 242 HG2 PRO 38 HG2 PRO 38 -1.313 17.307 -0.577 243 HG3 PRO 38 HG1 PRO 38 -0.469 16.539 0.781 244 HD2 PRO 38 HD2 PRO 38 -1.043 15.468 -1.945 245 HD3 PRO 38 HD1 PRO 38 0.384 15.230 -0.917 246 H GLY 39 HN GLY 39 -3.496 12.658 2.054 247 HA2 GLY 39 HA2 GLY 39 -5.807 12.053 2.047 248 HA3 GLY 39 HA1 GLY 39 -5.920 12.636 0.394 249 H SER 40 HN SER 40 -3.149 10.751 1.073 250 HA SER 40 HA SER 40 -4.454 8.314 0.084 251 HB2 SER 40 HB2 SER 40 -1.839 9.425 -0.965 252 HB3 SER 40 HB1 SER 40 -2.588 7.906 -1.455 253 HG SER 40 HG SER 40 -3.891 10.406 -1.706 254 H GLN 41 HN GLN 41 -4.069 6.677 1.412 255 HA GLN 41 HA GLN 41 -1.618 6.744 3.047 256 HB2 GLN 41 HB2 GLN 41 -4.338 5.575 3.635 257 HB3 GLN 41 HB1 GLN 41 -2.916 5.255 4.619 258 HG2 GLN 41 HG2 GLN 41 -2.910 7.977 4.497 259 HG3 GLN 41 HG1 GLN 41 -4.635 7.613 4.502 260 HE21 GLN 41 HE21 GLN 41 -5.333 6.039 6.196 261 HE22 GLN 41 HE22 GLN 41 -4.607 6.180 7.757 262 H CYS 42 HN CYS 42 -3.488 4.906 0.789 263 HA CYS 42 HA CYS 42 -1.367 2.913 0.649 264 HB2 CYS 42 HB2 CYS 42 -3.674 2.381 2.097 265 HB3 CYS 42 HB1 CYS 42 -3.945 1.605 0.541 266 H ASN 43 HN ASN 43 -0.812 3.312 -1.411 267 HA ASN 43 HA ASN 43 -2.871 3.642 -3.446 268 HB2 ASN 43 HB2 ASN 43 -1.002 4.209 -4.937 269 HB3 ASN 43 HB1 ASN 43 -0.962 5.176 -3.465 270 HD21 ASN 43 HD21 ASN 43 1.012 3.875 -5.537 271 HD22 ASN 43 HD22 ASN 43 2.298 3.337 -4.516 272 H TYR 44 HN TYR 44 -1.146 1.102 -2.078 273 HA TYR 44 HA TYR 44 -2.164 -0.870 -3.728 274 HB2 TYR 44 HB2 TYR 44 -0.763 -1.200 -5.473 275 HB3 TYR 44 HB1 TYR 44 -0.260 0.459 -5.186 276 HD1 TYR 44 HD1 TYR 44 0.566 -3.053 -4.302 277 HD2 TYR 44 HD2 TYR 44 1.970 0.942 -4.690 278 HE1 TYR 44 HE1 TYR 44 2.855 -3.830 -3.903 279 HE2 TYR 44 HE2 TYR 44 4.272 0.179 -4.297 280 HH TYR 44 HH TYR 44 5.383 -2.596 -4.684 281 H GLY 45 HN GLY 45 -2.034 -2.703 -2.606 282 HA2 GLY 45 HA2 GLY 45 -0.017 -4.047 -1.490 283 HA3 GLY 45 HA1 GLY 45 -0.281 -2.789 -0.290 284 H GLU 46 HN GLU 46 -0.574 -5.246 0.639 285 HA GLU 46 HA GLU 46 -2.922 -6.639 0.317 286 HB2 GLU 46 HB2 GLU 46 -1.055 -6.247 2.611 287 HB3 GLU 46 HB1 GLU 46 -2.569 -7.097 2.888 288 HG2 GLU 46 HG2 GLU 46 -0.671 -8.596 2.408 289 HG3 GLU 46 HG1 GLU 46 -2.007 -8.767 1.271 290 H CYS 47 HN CYS 47 -2.330 -3.876 2.463 291 HA CYS 47 HA CYS 47 -5.098 -3.914 3.340 292 HB2 CYS 47 HB2 CYS 47 -2.618 -2.491 4.168 293 HB3 CYS 47 HB1 CYS 47 -4.170 -1.766 4.574 294 H CYS 48 HN CYS 48 -3.277 -2.350 0.890 295 HA CYS 48 HA CYS 48 -4.696 0.086 0.823 296 HB2 CYS 48 HB2 CYS 48 -3.360 -1.180 -1.556 297 HB3 CYS 48 HB1 CYS 48 -3.581 0.533 -1.205 298 H ASP 49 HN ASP 49 -6.388 0.794 -0.286 299 HA ASP 49 HA ASP 49 -7.729 -0.528 -2.363 300 HB2 ASP 49 HB2 ASP 49 -8.216 -1.827 -0.012 301 HB3 ASP 49 HB1 ASP 49 -9.533 -0.658 -0.029 302 H GLN 50 HN GLN 50 -8.528 1.172 -3.413 303 HA GLN 50 HA GLN 50 -9.594 3.133 -3.869 304 HB2 GLN 50 HB2 GLN 50 -11.309 2.108 -2.265 305 HB3 GLN 50 HB1 GLN 50 -10.618 3.157 -1.035 306 HG2 GLN 50 HG2 GLN 50 -11.308 4.548 -3.504 307 HG3 GLN 50 HG1 GLN 50 -12.684 3.797 -2.698 308 HE21 GLN 50 HE21 GLN 50 -12.141 4.066 -0.091 309 HE22 GLN 50 HE22 GLN 50 -12.029 5.733 0.350 310 H CYS 51 HN CYS 51 -6.909 3.052 -2.807 311 HA CYS 51 HA CYS 51 -5.259 4.488 -2.213 312 HB2 CYS 51 HB2 CYS 51 -7.495 6.342 -2.869 313 HB3 CYS 51 HB1 CYS 51 -6.096 7.005 -2.032 314 H ARG 52 HN ARG 52 -7.154 3.274 -0.198 315 HA ARG 52 HA ARG 52 -6.173 4.822 2.077 316 HB2 ARG 52 HB2 ARG 52 -8.655 5.367 1.366 317 HB3 ARG 52 HB1 ARG 52 -9.001 3.856 2.197 318 HG2 ARG 52 HG2 ARG 52 -8.706 4.761 4.220 319 HG3 ARG 52 HG1 ARG 52 -7.289 5.680 3.711 320 HD2 ARG 52 HD2 ARG 52 -8.999 7.154 2.448 321 HD3 ARG 52 HD1 ARG 52 -10.187 6.409 3.517 322 HE ARG 52 HE ARG 52 -7.925 7.494 4.910 323 HH11 ARG 52 HH11 ARG 52 -11.043 8.236 3.530 324 HH12 ARG 52 HH12 ARG 52 -11.309 9.607 4.553 325 HH21 ARG 52 HH21 ARG 52 -8.273 9.298 6.257 326 HH22 ARG 52 HH22 ARG 52 -9.737 10.211 6.101 327 H PHE 53 HN PHE 53 -5.998 3.601 4.026 328 HA PHE 53 HA PHE 53 -5.270 0.917 3.650 329 HB2 PHE 53 HB2 PHE 53 -5.813 2.516 6.148 330 HB3 PHE 53 HB1 PHE 53 -5.345 0.818 6.211 331 HD1 PHE 53 HD2 PHE 53 -3.526 1.255 3.627 332 HD2 PHE 53 HD1 PHE 53 -3.826 3.085 7.457 333 HE1 PHE 53 HE2 PHE 53 -1.168 1.878 3.507 334 HE2 PHE 53 HE1 PHE 53 -1.453 3.719 7.340 335 HZ PHE 53 HZ PHE 53 -0.115 3.118 5.362 336 H LYS 54 HN LYS 54 -6.181 -0.998 4.377 337 HA LYS 54 HA LYS 54 -9.038 -1.103 4.070 338 HB2 LYS 54 HB2 LYS 54 -6.821 -2.996 4.092 339 HB3 LYS 54 HB1 LYS 54 -8.229 -3.609 4.948 340 HG2 LYS 54 HG2 LYS 54 -9.477 -3.768 3.070 341 HG3 LYS 54 HG1 LYS 54 -8.720 -2.363 2.318 342 HD2 LYS 54 HD2 LYS 54 -6.640 -3.823 2.087 343 HD3 LYS 54 HD1 LYS 54 -7.695 -5.184 2.472 344 HE2 LYS 54 HE2 LYS 54 -9.102 -3.824 0.536 345 HE3 LYS 54 HE1 LYS 54 -7.429 -3.657 0.005 346 HZ1 LYS 54 HZ1 LYS 54 -8.568 -6.274 0.783 347 HZ2 LYS 54 HZ2 LYS 54 -7.170 -5.965 -0.117 348 HZ3 LYS 54 HZ3 LYS 54 -8.692 -5.680 -0.797 349 H LYS 55 HN LYS 55 -10.077 -0.152 5.740 350 HA LYS 55 HA LYS 55 -9.666 0.250 8.290 351 HB2 LYS 55 HB2 LYS 55 -11.852 0.584 7.166 352 HB3 LYS 55 HB1 LYS 55 -12.194 -1.128 7.374 353 HG2 LYS 55 HG2 LYS 55 -13.315 0.219 9.062 354 HG3 LYS 55 HG1 LYS 55 -12.129 -0.866 9.791 355 HD2 LYS 55 HD2 LYS 55 -10.573 0.917 10.093 356 HD3 LYS 55 HD1 LYS 55 -11.560 2.017 9.128 357 HE2 LYS 55 HE2 LYS 55 -13.287 2.019 10.800 358 HE3 LYS 55 HE1 LYS 55 -12.451 0.772 11.725 359 HZ1 LYS 55 HZ1 LYS 55 -10.722 2.278 12.262 360 HZ2 LYS 55 HZ2 LYS 55 -12.175 3.085 12.575 361 HZ3 LYS 55 HZ3 LYS 55 -11.291 3.446 11.179 362 H ALA 56 HN ALA 56 -9.041 -0.770 10.081 363 HA ALA 56 HA ALA 56 -8.111 -3.294 10.256 364 HB1 ALA 56 HB1 ALA 56 -8.861 -3.128 12.768 365 HB2 ALA 56 HB2 ALA 56 -9.250 -1.468 12.310 366 HB3 ALA 56 HB3 ALA 56 -7.604 -2.072 12.122 367 H GLY 57 HN GLY 57 -8.905 -5.286 10.243 368 HA2 GLY 57 HA2 GLY 57 -10.618 -6.832 11.135 369 HA3 GLY 57 HA1 GLY 57 -11.812 -5.608 10.721 370 H THR 58 HN THR 58 -9.836 -5.261 8.269 371 HA THR 58 HA THR 58 -11.410 -6.903 6.495 372 HB THR 58 HB THR 58 -9.086 -5.030 5.997 373 HG1 THR 58 HG1 THR 58 -10.821 -3.839 6.580 374 HG21 THR 58 HG21 THR 58 -9.056 -5.555 3.854 375 HG22 THR 58 HG22 THR 58 -10.813 -5.451 3.739 376 HG23 THR 58 HG23 THR 58 -10.051 -6.958 4.249 377 H VAL 59 HN VAL 59 -10.929 -9.012 6.305 378 HA VAL 59 HA VAL 59 -8.391 -10.086 6.984 379 HB VAL 59 HB VAL 59 -10.455 -11.399 7.223 380 HG11 VAL 59 HG11 VAL 59 -11.194 -10.460 4.823 381 HG12 VAL 59 HG12 VAL 59 -11.876 -11.918 5.545 382 HG13 VAL 59 HG13 VAL 59 -10.587 -12.046 4.348 383 HG21 VAL 59 HG21 VAL 59 -8.055 -12.326 5.846 384 HG22 VAL 59 HG22 VAL 59 -9.455 -13.369 5.600 385 HG23 VAL 59 HG23 VAL 59 -8.902 -13.008 7.235 386 H CYS 60 HN CYS 60 -6.607 -10.151 5.798 387 HA CYS 60 HA CYS 60 -6.867 -9.934 2.866 388 HB2 CYS 60 HB2 CYS 60 -4.358 -9.341 4.410 389 HB3 CYS 60 HB1 CYS 60 -4.769 -8.858 2.770 390 H ARG 61 HN ARG 61 -5.727 -11.897 5.450 391 HA ARG 61 HA ARG 61 -4.948 -13.969 3.576 392 HB2 ARG 61 HB2 ARG 61 -3.014 -12.479 5.265 393 HB3 ARG 61 HB1 ARG 61 -2.807 -14.222 5.172 394 HG2 ARG 61 HG2 ARG 61 -2.913 -13.899 2.630 395 HG3 ARG 61 HG1 ARG 61 -2.637 -12.191 2.980 396 HD2 ARG 61 HD2 ARG 61 -0.856 -14.533 3.600 397 HD3 ARG 61 HD1 ARG 61 -0.505 -13.139 2.581 398 HE ARG 61 HE ARG 61 -0.390 -13.266 5.478 399 HH11 ARG 61 HH11 ARG 61 -0.366 -11.238 2.635 400 HH12 ARG 61 HH12 ARG 61 0.384 -9.906 3.446 401 HH21 ARG 61 HH21 ARG 61 0.585 -11.517 6.541 402 HH22 ARG 61 HH22 ARG 61 0.923 -10.062 5.663 403 H ILE 62 HN ILE 62 -4.307 -16.005 4.768 404 HA ILE 62 HA ILE 62 -5.257 -16.305 7.475 405 HB ILE 62 HB ILE 62 -6.596 -18.074 5.453 406 HG12 ILE 62 HG12 ILE 62 -8.651 -16.604 5.792 407 HG13 ILE 62 HG11 ILE 62 -7.552 -15.371 6.395 408 HG21 ILE 62 HG21 ILE 62 -7.894 -17.311 7.982 409 HG22 ILE 62 HG22 ILE 62 -6.408 -18.249 8.129 410 HG23 ILE 62 HG23 ILE 62 -7.763 -18.885 7.197 411 HD11 ILE 62 HD11 ILE 62 -6.477 -16.236 3.965 412 HD12 ILE 62 HD12 ILE 62 -7.266 -14.698 4.315 413 HD13 ILE 62 HD13 ILE 62 -8.211 -16.056 3.701 414 H ALA 63 HN ALA 63 -3.925 -17.704 8.417 415 HA ALA 63 HA ALA 63 -1.810 -18.978 7.273 416 HB1 ALA 63 HB1 ALA 63 -3.007 -18.967 9.813 417 HB2 ALA 63 HB2 ALA 63 -1.395 -19.534 9.376 418 HB3 ALA 63 HB3 ALA 63 -2.754 -20.658 9.382 419 H ARG 64 HN ARG 64 -4.612 -20.869 8.371 420 HA ARG 64 HA ARG 64 -5.165 -22.135 5.954 421 HB2 ARG 64 HB2 ARG 64 -2.801 -23.148 7.279 422 HB3 ARG 64 HB1 ARG 64 -4.022 -24.404 7.152 423 HG2 ARG 64 HG2 ARG 64 -2.706 -22.862 4.940 424 HG3 ARG 64 HG1 ARG 64 -2.687 -24.601 5.231 425 HD2 ARG 64 HD2 ARG 64 -5.363 -24.067 5.013 426 HD3 ARG 64 HD1 ARG 64 -4.659 -22.943 3.853 427 HE ARG 64 HE ARG 64 -4.838 -25.783 3.603 428 HH11 ARG 64 HH11 ARG 64 -2.934 -22.998 2.713 429 HH12 ARG 64 HH12 ARG 64 -2.286 -23.740 1.290 430 HH21 ARG 64 HH21 ARG 64 -3.986 -26.761 1.731 431 HH22 ARG 64 HH22 ARG 64 -2.883 -25.876 0.731 432 H GLY 65 HN GLY 65 -7.091 -21.425 7.285 433 HA2 GLY 65 HA2 GLY 65 -8.818 -23.325 7.900 434 HA3 GLY 65 HA1 GLY 65 -7.845 -23.338 9.363 435 H ASP 66 HN ASP 66 -8.500 -22.086 10.964 436 HA ASP 66 HA ASP 66 -9.510 -19.463 10.607 437 HB2 ASP 66 HB2 ASP 66 -11.455 -21.694 10.847 438 HB3 ASP 66 HB1 ASP 66 -11.778 -20.256 11.811 439 H TRP 67 HN TRP 67 -7.780 -19.234 12.109 440 HA TRP 67 HA TRP 67 -8.509 -19.963 14.872 441 HB2 TRP 67 HB2 TRP 67 -5.751 -19.407 14.807 442 HB3 TRP 67 HB1 TRP 67 -6.512 -20.979 15.013 443 HD1 TRP 67 HD1 TRP 67 -5.359 -18.710 12.076 444 HE1 TRP 67 HE1 TRP 67 -4.530 -20.238 10.189 445 HE3 TRP 67 HE3 TRP 67 -6.387 -23.234 14.197 446 HZ2 TRP 67 HZ2 TRP 67 -4.331 -22.999 9.665 447 HZ3 TRP 67 HZ3 TRP 67 -5.845 -25.281 12.938 448 HH2 TRP 67 HH2 TRP 67 -4.836 -25.163 10.716 449 H ASN 68 HN ASN 68 -6.223 -17.768 13.312 450 HA ASN 68 HA ASN 68 -7.284 -15.570 14.961 451 HB2 ASN 68 HB2 ASN 68 -4.543 -15.486 13.745 452 HB3 ASN 68 HB1 ASN 68 -5.150 -14.662 15.177 453 HD21 ASN 68 HD21 ASN 68 -4.238 -17.810 13.893 454 HD22 ASN 68 HD22 ASN 68 -3.780 -18.499 15.409 455 H ASP 69 HN ASP 69 -6.177 -16.570 11.787 456 HA ASP 69 HA ASP 69 -6.536 -15.742 9.700 457 HB2 ASP 69 HB2 ASP 69 -8.772 -14.577 11.277 458 HB3 ASP 69 HB1 ASP 69 -8.472 -13.917 9.674 459 H ASP 70 HN ASP 70 -5.821 -14.096 8.374 460 HA ASP 70 HA ASP 70 -4.263 -12.051 9.673 461 HB2 ASP 70 HB2 ASP 70 -3.575 -13.361 7.578 462 HB3 ASP 70 HB1 ASP 70 -4.706 -12.337 6.713 463 H TYR 71 HN TYR 71 -4.861 -10.001 10.028 464 HA TYR 71 HA TYR 71 -7.083 -8.920 8.449 465 HB2 TYR 71 HB2 TYR 71 -6.935 -9.219 11.416 466 HB3 TYR 71 HB1 TYR 71 -7.845 -7.885 10.710 467 HD1 TYR 71 HD2 TYR 71 -9.643 -8.421 9.057 468 HD2 TYR 71 HD1 TYR 71 -7.857 -11.371 11.519 469 HE1 TYR 71 HE2 TYR 71 -11.567 -9.881 8.659 470 HE2 TYR 71 HE1 TYR 71 -9.759 -12.867 11.126 471 HH TYR 71 HH TYR 71 -11.552 -13.207 9.551 472 H CYS 72 HN CYS 72 -7.053 -6.808 8.022 473 HA CYS 72 HA CYS 72 -4.613 -5.391 8.258 474 HB2 CYS 72 HB2 CYS 72 -6.416 -5.131 6.464 475 HB3 CYS 72 HB1 CYS 72 -7.291 -4.156 7.638 476 H THR 73 HN THR 73 -4.428 -3.205 9.264 477 HA THR 73 HA THR 73 -5.921 -3.089 11.802 478 HB THR 73 HB THR 73 -3.989 -2.547 12.993 479 HG1 THR 73 HG1 THR 73 -2.056 -1.902 11.954 480 HG21 THR 73 HG21 THR 73 -3.959 -4.893 11.769 481 HG22 THR 73 HG22 THR 73 -2.621 -4.339 12.778 482 HG23 THR 73 HG23 THR 73 -2.521 -4.195 11.022 483 H GLY 74 HN GLY 74 -5.830 -1.625 8.972 484 HA2 GLY 74 HA2 GLY 74 -6.275 0.485 8.193 485 HA3 GLY 74 HA1 GLY 74 -7.056 0.729 9.747 486 H LYS 75 HN LYS 75 -3.665 0.003 9.660 487 HA LYS 75 HA LYS 75 -3.018 2.845 10.019 488 HB2 LYS 75 HB2 LYS 75 -1.781 0.717 11.750 489 HB3 LYS 75 HB1 LYS 75 -1.747 2.461 11.971 490 HG2 LYS 75 HG2 LYS 75 -4.440 1.854 12.019 491 HG3 LYS 75 HG1 LYS 75 -3.688 0.506 12.874 492 HD2 LYS 75 HD2 LYS 75 -2.863 3.301 13.524 493 HD3 LYS 75 HD1 LYS 75 -4.383 2.675 14.165 494 HE2 LYS 75 HE2 LYS 75 -1.616 1.561 14.582 495 HE3 LYS 75 HE1 LYS 75 -2.674 2.286 15.791 496 HZ1 LYS 75 HZ1 LYS 75 -2.863 -0.356 14.509 497 HZ2 LYS 75 HZ2 LYS 75 -4.260 0.382 15.111 498 HZ3 LYS 75 HZ3 LYS 75 -2.967 0.047 16.149 499 H SER 76 HN SER 76 -2.524 0.361 8.077 500 HA SER 76 HA SER 76 -0.062 1.348 7.076 501 HB2 SER 76 HB2 SER 76 1.003 0.170 8.854 502 HB3 SER 76 HB1 SER 76 0.001 -1.258 8.597 503 HG SER 76 HG SER 76 2.067 -0.249 6.947 504 H SER 77 HN SER 77 0.821 -0.159 5.324 505 HA SER 77 HA SER 77 -1.433 -1.024 3.695 506 HB2 SER 77 HB2 SER 77 0.138 -1.028 1.851 507 HB3 SER 77 HB1 SER 77 0.352 0.464 2.766 508 HG SER 77 HG SER 77 2.126 -1.510 2.278 509 H ASP 78 HN ASP 78 0.041 -2.523 6.033 510 HA ASP 78 HA ASP 78 0.371 -5.049 4.550 511 HB2 ASP 78 HB2 ASP 78 1.865 -3.873 6.842 512 HB3 ASP 78 HB1 ASP 78 1.651 -5.621 6.819 513 H CYS 79 HN CYS 79 -0.506 -6.914 5.367 514 HA CYS 79 HA CYS 79 -2.529 -6.568 7.487 515 HB2 CYS 79 HB2 CYS 79 -2.830 -7.392 4.794 516 HB3 CYS 79 HB1 CYS 79 -3.075 -8.824 5.789 517 HA PRO 80 HA PRO 80 0.287 -9.658 9.292 518 HB2 PRO 80 HB2 PRO 80 -0.559 -9.367 11.838 519 HB3 PRO 80 HB1 PRO 80 0.535 -8.212 11.068 520 HG2 PRO 80 HG2 PRO 80 -2.430 -8.035 11.462 521 HG3 PRO 80 HG1 PRO 80 -1.192 -6.792 11.725 522 HD2 PRO 80 HD2 PRO 80 -2.722 -6.878 9.490 523 HD3 PRO 80 HD1 PRO 80 -1.053 -6.278 9.483 524 H TRP 81 HN TRP 81 -0.032 -11.782 9.458 525 HA TRP 81 HA TRP 81 -2.386 -13.130 8.994 526 HB2 TRP 81 HB2 TRP 81 -0.713 -14.603 10.885 527 HB3 TRP 81 HB1 TRP 81 -1.173 -15.011 9.240 528 HD1 TRP 81 HD1 TRP 81 1.541 -13.061 11.171 529 HE1 TRP 81 HE1 TRP 81 3.637 -12.942 9.679 530 HE3 TRP 81 HE3 TRP 81 -0.384 -15.135 6.947 531 HZ2 TRP 81 HZ2 TRP 81 4.367 -13.648 7.045 532 HZ3 TRP 81 HZ3 TRP 81 1.071 -15.390 4.970 533 HH2 TRP 81 HH2 TRP 81 3.401 -14.657 5.022 534 H ASN 82 HN ASN 82 -1.240 -11.782 11.951 535 HA ASN 82 HA ASN 82 -2.354 -11.302 13.900 536 HB2 ASN 82 HB2 ASN 82 -4.475 -11.756 12.300 537 HB3 ASN 82 HB1 ASN 82 -4.633 -13.135 13.383 538 HD21 ASN 82 HD21 ASN 82 -3.626 -11.922 15.715 539 HD22 ASN 82 HD22 ASN 82 -4.768 -10.737 16.239 540 H HIS 83 HN HIS 83 -0.517 -13.455 13.352 541 HA HIS 83 HA HIS 83 -1.376 -15.526 15.246 542 HB2 HIS 83 HB2 HIS 83 0.957 -15.531 13.314 543 HB3 HIS 83 HB1 HIS 83 0.441 -16.884 14.319 544 HD1 HIS 83 HD1 HIS 83 0.549 -16.794 11.119 545 HD2 HIS 83 HD2 HIS 83 -2.832 -16.442 13.506 546 HE1 HIS 83 HE1 HIS 83 -1.384 -17.451 9.651 547 HE2 HIS 83 HE2 HIS 83 -3.426 -17.158 11.093 Start of MODEL 21 1 H1 SER 1 HT1 SER 1 18.501 1.815 -10.988 2 H2 SER 1 HT2 SER 1 18.606 0.643 -12.238 3 H3 SER 1 HT3 SER 1 19.964 0.957 -11.237 4 HA SER 1 HA SER 1 18.806 -1.097 -10.705 5 HB2 SER 1 HB2 SER 1 18.693 -0.557 -8.248 6 HB3 SER 1 HB1 SER 1 20.172 -0.012 -9.039 7 HG SER 1 HG SER 1 17.925 1.673 -8.707 8 HA PRO 2 HA PRO 2 14.435 -1.549 -10.602 9 HB2 PRO 2 HB2 PRO 2 14.748 -2.498 -7.787 10 HB3 PRO 2 HB1 PRO 2 13.872 -3.236 -9.133 11 HG2 PRO 2 HG2 PRO 2 16.246 -4.179 -8.378 12 HG3 PRO 2 HG1 PRO 2 15.799 -4.095 -10.092 13 HD2 PRO 2 HD2 PRO 2 17.672 -2.386 -8.536 14 HD3 PRO 2 HD1 PRO 2 17.724 -2.855 -10.247 15 HA PRO 3 HA PRO 3 13.322 1.243 -6.864 16 HB2 PRO 3 HB2 PRO 3 15.681 2.037 -5.433 17 HB3 PRO 3 HB1 PRO 3 14.356 1.020 -4.869 18 HG2 PRO 3 HG2 PRO 3 16.921 0.128 -5.295 19 HG3 PRO 3 HG1 PRO 3 15.483 -0.908 -5.318 20 HD2 PRO 3 HD2 PRO 3 16.999 0.285 -7.606 21 HD3 PRO 3 HD1 PRO 3 16.291 -1.337 -7.446 22 H VAL 4 HN VAL 4 12.947 2.750 -8.548 23 HA VAL 4 HA VAL 4 14.993 4.869 -8.739 24 HB VAL 4 HB VAL 4 12.987 4.595 -10.908 25 HG11 VAL 4 HG11 VAL 4 15.812 5.522 -10.603 26 HG12 VAL 4 HG12 VAL 4 14.410 6.392 -11.226 27 HG13 VAL 4 HG13 VAL 4 15.170 5.133 -12.199 28 HG21 VAL 4 HG21 VAL 4 13.776 2.270 -10.492 29 HG22 VAL 4 HG22 VAL 4 15.422 2.825 -10.797 30 HG23 VAL 4 HG23 VAL 4 14.216 2.897 -12.080 31 H CYS 5 HN CYS 5 14.348 6.541 -7.553 32 HA CYS 5 HA CYS 5 11.529 7.123 -7.187 33 HB2 CYS 5 HB2 CYS 5 12.891 7.385 -5.231 34 HB3 CYS 5 HB1 CYS 5 14.066 8.366 -6.097 35 H GLY 6 HN GLY 6 10.681 7.907 -9.034 36 HA2 GLY 6 HA2 GLY 6 10.177 10.064 -10.093 37 HA3 GLY 6 HA1 GLY 6 11.915 10.347 -10.153 38 H ASN 7 HN ASN 7 10.500 7.244 -10.783 39 HA ASN 7 HA ASN 7 11.026 7.542 -13.659 40 HB2 ASN 7 HB2 ASN 7 12.801 6.242 -12.374 41 HB3 ASN 7 HB1 ASN 7 11.566 5.028 -12.069 42 HD21 ASN 7 HD21 ASN 7 13.815 4.304 -13.368 43 HD22 ASN 7 HD22 ASN 7 13.483 3.991 -15.033 44 H LYS 8 HN LYS 8 8.751 7.101 -11.380 45 HA LYS 8 HA LYS 8 6.559 6.557 -11.527 46 HB2 LYS 8 HB2 LYS 8 7.026 6.966 -14.089 47 HB3 LYS 8 HB1 LYS 8 6.887 5.215 -14.179 48 HG2 LYS 8 HG2 LYS 8 4.677 5.793 -12.752 49 HG3 LYS 8 HG1 LYS 8 4.822 7.259 -13.724 50 HD2 LYS 8 HD2 LYS 8 3.674 6.049 -15.244 51 HD3 LYS 8 HD1 LYS 8 5.265 5.379 -15.611 52 HE2 LYS 8 HE2 LYS 8 4.027 3.460 -15.340 53 HE3 LYS 8 HE1 LYS 8 4.666 3.687 -13.712 54 HZ1 LYS 8 HZ1 LYS 8 2.315 3.173 -13.657 55 HZ2 LYS 8 HZ2 LYS 8 1.966 4.499 -14.648 56 HZ3 LYS 8 HZ3 LYS 8 2.576 4.746 -13.090 57 H ILE 9 HN ILE 9 8.826 4.763 -10.687 58 HA ILE 9 HA ILE 9 7.338 2.221 -10.816 59 HB ILE 9 HB ILE 9 10.104 1.855 -10.058 60 HG12 ILE 9 HG12 ILE 9 9.624 3.048 -12.795 61 HG13 ILE 9 HG11 ILE 9 10.501 3.811 -11.473 62 HG21 ILE 9 HG21 ILE 9 9.234 -0.091 -10.746 63 HG22 ILE 9 HG22 ILE 9 9.786 0.449 -12.332 64 HG23 ILE 9 HG23 ILE 9 8.103 0.680 -11.858 65 HD11 ILE 9 HD11 ILE 9 11.338 1.669 -13.317 66 HD12 ILE 9 HD12 ILE 9 11.898 1.550 -11.649 67 HD13 ILE 9 HD13 ILE 9 12.268 2.986 -12.603 68 H LEU 10 HN LEU 10 6.371 1.890 -8.915 69 HA LEU 10 HA LEU 10 7.171 3.110 -6.500 70 HB2 LEU 10 HB2 LEU 10 5.597 0.573 -6.498 71 HB3 LEU 10 HB1 LEU 10 5.408 1.994 -5.488 72 HG LEU 10 HG LEU 10 4.756 3.031 -7.906 73 HD11 LEU 10 HD11 LEU 10 4.510 1.379 -9.386 74 HD12 LEU 10 HD12 LEU 10 3.032 0.986 -8.508 75 HD13 LEU 10 HD13 LEU 10 4.531 0.133 -8.138 76 HD21 LEU 10 HD21 LEU 10 2.550 1.632 -6.537 77 HD22 LEU 10 HD22 LEU 10 2.728 3.335 -6.963 78 HD23 LEU 10 HD23 LEU 10 3.537 2.694 -5.533 79 H GLU 11 HN GLU 11 9.501 2.509 -6.775 80 HA GLU 11 HA GLU 11 9.986 -0.066 -5.451 81 HB2 GLU 11 HB2 GLU 11 10.365 -0.118 -7.969 82 HB3 GLU 11 HB1 GLU 11 11.743 0.931 -7.676 83 HG2 GLU 11 HG2 GLU 11 12.991 -0.728 -6.807 84 HG3 GLU 11 HG1 GLU 11 11.613 -1.493 -6.017 85 H GLN 12 HN GLN 12 11.510 3.033 -6.422 86 HA GLN 12 HA GLN 12 13.644 2.802 -4.570 87 HB2 GLN 12 HB2 GLN 12 13.353 4.361 -6.615 88 HB3 GLN 12 HB1 GLN 12 12.589 5.453 -5.475 89 HG2 GLN 12 HG2 GLN 12 15.398 4.381 -5.350 90 HG3 GLN 12 HG1 GLN 12 14.908 6.031 -5.729 91 HE21 GLN 12 HE21 GLN 12 15.855 3.908 -3.316 92 HE22 GLN 12 HE22 GLN 12 15.481 4.891 -1.945 93 H GLY 13 HN GLY 13 12.048 2.018 -2.824 94 HA2 GLY 13 HA2 GLY 13 10.723 2.422 -0.944 95 HA3 GLY 13 HA1 GLY 13 12.161 3.345 -0.552 96 H GLU 14 HN GLU 14 9.779 4.162 -3.027 97 HA GLU 14 HA GLU 14 9.316 6.675 -1.608 98 HB2 GLU 14 HB2 GLU 14 8.077 7.147 -3.911 99 HB3 GLU 14 HB1 GLU 14 9.812 7.329 -3.724 100 HG2 GLU 14 HG2 GLU 14 9.420 6.211 -5.768 101 HG3 GLU 14 HG1 GLU 14 10.087 5.034 -4.640 102 H ASP 15 HN ASP 15 7.585 3.930 -2.954 103 HA ASP 15 HA ASP 15 5.525 3.064 -2.539 104 HB2 ASP 15 HB2 ASP 15 6.384 3.815 -0.120 105 HB3 ASP 15 HB1 ASP 15 5.003 4.900 -0.258 106 H CYS 16 HN CYS 16 5.913 5.550 -4.136 107 HA CYS 16 HA CYS 16 3.546 6.036 -5.228 108 HB2 CYS 16 HB2 CYS 16 3.539 7.238 -2.553 109 HB3 CYS 16 HB1 CYS 16 3.091 8.357 -3.834 110 H ASP 17 HN ASP 17 5.095 6.404 -6.840 111 HA ASP 17 HA ASP 17 6.080 9.166 -6.870 112 HB2 ASP 17 HB2 ASP 17 8.004 7.859 -6.284 113 HB3 ASP 17 HB1 ASP 17 7.661 6.685 -7.549 114 H CYS 18 HN CYS 18 6.620 9.946 -9.006 115 HA CYS 18 HA CYS 18 5.174 8.586 -11.176 116 HB2 CYS 18 HB2 CYS 18 5.098 11.523 -10.465 117 HB3 CYS 18 HB1 CYS 18 4.549 10.884 -12.005 118 H GLY 19 HN GLY 19 6.249 8.489 -13.088 119 HA2 GLY 19 HA2 GLY 19 8.957 8.760 -13.313 120 HA3 GLY 19 HA1 GLY 19 7.868 8.864 -14.689 121 H SER 20 HN SER 20 6.548 11.235 -14.137 122 HA SER 20 HA SER 20 8.654 13.256 -13.892 123 HB2 SER 20 HB2 SER 20 7.905 12.500 -16.360 124 HB3 SER 20 HB1 SER 20 6.660 13.709 -16.046 125 HG SER 20 HG SER 20 8.413 15.157 -15.503 126 HA PRO 21 HA PRO 21 5.656 15.002 -11.059 127 HB2 PRO 21 HB2 PRO 21 7.055 17.491 -11.947 128 HB3 PRO 21 HB1 PRO 21 6.643 16.955 -10.314 129 HG2 PRO 21 HG2 PRO 21 9.134 16.734 -11.228 130 HG3 PRO 21 HG1 PRO 21 8.420 15.473 -10.206 131 HD2 PRO 21 HD2 PRO 21 8.969 15.458 -13.127 132 HD3 PRO 21 HD1 PRO 21 8.954 14.113 -11.970 133 H ALA 22 HN ALA 22 6.232 16.160 -14.322 134 HA ALA 22 HA ALA 22 3.793 17.717 -14.391 135 HB1 ALA 22 HB1 ALA 22 5.653 18.577 -15.630 136 HB2 ALA 22 HB2 ALA 22 4.413 18.077 -16.780 137 HB3 ALA 22 HB3 ALA 22 5.829 17.061 -16.514 138 H ASN 23 HN ASN 23 4.892 14.547 -15.292 139 HA ASN 23 HA ASN 23 2.314 13.996 -16.592 140 HB2 ASN 23 HB2 ASN 23 4.361 13.537 -17.934 141 HB3 ASN 23 HB1 ASN 23 4.864 12.371 -16.715 142 HD21 ASN 23 HD21 ASN 23 1.753 13.071 -18.268 143 HD22 ASN 23 HD22 ASN 23 1.479 11.461 -18.832 144 H CYS 24 HN CYS 24 3.009 14.098 -13.663 145 HA CYS 24 HA CYS 24 3.031 11.494 -12.612 146 HB2 CYS 24 HB2 CYS 24 3.662 13.511 -11.330 147 HB3 CYS 24 HB1 CYS 24 1.977 14.020 -11.336 148 H GLN 25 HN GLN 25 1.482 10.350 -13.811 149 HA GLN 25 HA GLN 25 -1.304 11.095 -13.649 150 HB2 GLN 25 HB2 GLN 25 -1.718 9.092 -14.964 151 HB3 GLN 25 HB1 GLN 25 -0.398 10.016 -15.668 152 HG2 GLN 25 HG2 GLN 25 1.034 8.379 -14.140 153 HG3 GLN 25 HG1 GLN 25 -0.382 7.355 -14.377 154 HE21 GLN 25 HE21 GLN 25 2.315 8.924 -15.899 155 HE22 GLN 25 HE22 GLN 25 2.222 8.079 -17.403 156 H ASP 26 HN ASP 26 -0.403 10.875 -11.101 157 HA ASP 26 HA ASP 26 -1.953 8.616 -10.118 158 HB2 ASP 26 HB2 ASP 26 0.820 9.200 -9.058 159 HB3 ASP 26 HB1 ASP 26 -0.257 7.902 -8.549 160 H ARG 27 HN ARG 27 -3.512 9.968 -9.342 161 HA ARG 27 HA ARG 27 -3.050 12.390 -7.997 162 HB2 ARG 27 HB2 ARG 27 -5.381 12.337 -7.421 163 HB3 ARG 27 HB1 ARG 27 -5.194 11.719 -9.056 164 HG2 ARG 27 HG2 ARG 27 -5.351 9.422 -8.178 165 HG3 ARG 27 HG1 ARG 27 -5.621 10.083 -6.564 166 HD2 ARG 27 HD2 ARG 27 -7.733 9.477 -7.583 167 HD3 ARG 27 HD1 ARG 27 -7.635 11.225 -7.386 168 HE ARG 27 HE ARG 27 -7.670 9.740 -9.878 169 HH11 ARG 27 HH11 ARG 27 -7.104 12.811 -8.308 170 HH12 ARG 27 HH12 ARG 27 -7.308 13.729 -9.761 171 HH21 ARG 27 HH21 ARG 27 -7.936 10.951 -11.785 172 HH22 ARG 27 HH22 ARG 27 -7.780 12.675 -11.733 173 H CYS 28 HN CYS 28 -2.871 9.120 -6.914 174 HA CYS 28 HA CYS 28 -2.924 9.970 -4.110 175 HB2 CYS 28 HB2 CYS 28 -3.447 7.421 -5.518 176 HB3 CYS 28 HB1 CYS 28 -2.643 7.286 -3.958 177 H CYS 29 HN CYS 29 -0.693 9.685 -6.505 178 HA CYS 29 HA CYS 29 1.457 9.241 -4.562 179 HB2 CYS 29 HB2 CYS 29 1.326 7.987 -7.311 180 HB3 CYS 29 HB1 CYS 29 2.717 7.927 -6.237 181 H ASN 30 HN ASN 30 2.915 10.830 -4.618 182 HA ASN 30 HA ASN 30 3.006 12.535 -7.021 183 HB2 ASN 30 HB2 ASN 30 2.171 13.710 -5.052 184 HB3 ASN 30 HB1 ASN 30 3.603 13.246 -4.143 185 HD21 ASN 30 HD21 ASN 30 4.692 15.048 -3.796 186 HD22 ASN 30 HD22 ASN 30 5.127 16.211 -4.996 187 H ALA 31 HN ALA 31 4.847 12.792 -8.089 188 HA ALA 31 HA ALA 31 7.126 11.186 -7.465 189 HB1 ALA 31 HB1 ALA 31 6.562 13.256 -9.570 190 HB2 ALA 31 HB2 ALA 31 6.698 11.512 -9.756 191 HB3 ALA 31 HB3 ALA 31 8.134 12.473 -9.421 192 H ALA 32 HN ALA 32 6.422 14.647 -7.385 193 HA ALA 32 HA ALA 32 8.918 15.653 -6.753 194 HB1 ALA 32 HB1 ALA 32 7.794 17.566 -6.702 195 HB2 ALA 32 HB2 ALA 32 6.897 17.060 -5.270 196 HB3 ALA 32 HB3 ALA 32 6.303 16.640 -6.877 197 H THR 33 HN THR 33 6.870 13.689 -4.820 198 HA THR 33 HA THR 33 8.555 14.237 -2.466 199 HB THR 33 HB THR 33 6.120 14.884 -2.259 200 HG1 THR 33 HG1 THR 33 7.263 12.939 -0.561 201 HG21 THR 33 HG21 THR 33 5.463 12.005 -1.895 202 HG22 THR 33 HG22 THR 33 5.406 12.700 -3.514 203 HG23 THR 33 HG23 THR 33 4.404 13.374 -2.230 204 H CYS 34 HN CYS 34 7.243 11.893 -4.646 205 HA CYS 34 HA CYS 34 7.595 9.673 -4.920 206 HB2 CYS 34 HB2 CYS 34 10.028 10.676 -3.697 207 HB3 CYS 34 HB1 CYS 34 9.713 9.019 -3.197 208 H LYS 35 HN LYS 35 5.692 10.514 -3.163 209 HA LYS 35 HA LYS 35 5.365 8.183 -1.505 210 HB2 LYS 35 HB2 LYS 35 5.425 10.891 -0.159 211 HB3 LYS 35 HB1 LYS 35 5.098 9.344 0.610 212 HG2 LYS 35 HG2 LYS 35 7.408 8.635 0.008 213 HG3 LYS 35 HG1 LYS 35 7.704 10.278 -0.565 214 HD2 LYS 35 HD2 LYS 35 6.701 9.741 2.211 215 HD3 LYS 35 HD1 LYS 35 8.423 9.687 1.827 216 HE2 LYS 35 HE2 LYS 35 6.697 12.050 1.141 217 HE3 LYS 35 HE1 LYS 35 7.490 11.891 2.708 218 HZ1 LYS 35 HZ1 LYS 35 8.740 13.201 1.010 219 HZ2 LYS 35 HZ2 LYS 35 8.950 11.772 0.129 220 HZ3 LYS 35 HZ3 LYS 35 9.608 11.913 1.681 221 H LEU 36 HN LEU 36 3.220 8.370 -0.261 222 HA LEU 36 HA LEU 36 1.154 8.846 -2.073 223 HB2 LEU 36 HB2 LEU 36 1.181 8.516 0.916 224 HB3 LEU 36 HB1 LEU 36 -0.311 8.754 0.028 225 HG LEU 36 HG LEU 36 1.486 6.562 -0.872 226 HD11 LEU 36 HD11 LEU 36 1.545 6.220 1.503 227 HD12 LEU 36 HD12 LEU 36 0.450 5.038 0.786 228 HD13 LEU 36 HD13 LEU 36 -0.200 6.449 1.622 229 HD21 LEU 36 HD21 LEU 36 -1.439 6.294 -0.484 230 HD22 LEU 36 HD22 LEU 36 -0.407 5.703 -1.786 231 HD23 LEU 36 HD23 LEU 36 -0.884 7.400 -1.741 232 H THR 37 HN THR 37 -0.048 10.572 -2.585 233 HA THR 37 HA THR 37 0.743 13.158 -1.624 234 HB THR 37 HB THR 37 -0.630 14.051 -3.310 235 HG1 THR 37 HG1 THR 37 -2.063 11.611 -3.212 236 HG21 THR 37 HG21 THR 37 -0.360 11.549 -4.794 237 HG22 THR 37 HG22 THR 37 1.126 12.117 -4.033 238 HG23 THR 37 HG23 THR 37 0.254 13.163 -5.154 239 HA PRO 38 HA PRO 38 -2.132 14.178 1.546 240 HB2 PRO 38 HB2 PRO 38 -3.396 16.186 -0.264 241 HB3 PRO 38 HB1 PRO 38 -2.777 16.385 1.380 242 HG2 PRO 38 HG2 PRO 38 -1.392 17.293 -0.699 243 HG3 PRO 38 HG1 PRO 38 -0.569 16.528 0.673 244 HD2 PRO 38 HD2 PRO 38 -1.140 15.438 -2.045 245 HD3 PRO 38 HD1 PRO 38 0.267 15.173 -0.994 246 H GLY 39 HN GLY 39 -3.668 12.726 1.992 247 HA2 GLY 39 HA2 GLY 39 -5.988 12.166 2.006 248 HA3 GLY 39 HA1 GLY 39 -6.103 12.737 0.348 249 H SER 40 HN SER 40 -3.366 10.804 1.030 250 HA SER 40 HA SER 40 -4.721 8.380 0.079 251 HB2 SER 40 HB2 SER 40 -2.001 9.095 -0.975 252 HB3 SER 40 HB1 SER 40 -3.202 7.998 -1.655 253 HG SER 40 HG SER 40 -3.232 10.828 -1.630 254 H GLN 41 HN GLN 41 -4.295 6.706 1.356 255 HA GLN 41 HA GLN 41 -1.848 6.794 2.996 256 HB2 GLN 41 HB2 GLN 41 -4.570 5.633 3.565 257 HB3 GLN 41 HB1 GLN 41 -3.151 5.220 4.518 258 HG2 GLN 41 HG2 GLN 41 -3.020 7.917 4.573 259 HG3 GLN 41 HG1 GLN 41 -4.764 7.672 4.486 260 HE21 GLN 41 HE21 GLN 41 -5.686 6.159 6.076 261 HE22 GLN 41 HE22 GLN 41 -5.004 6.123 7.662 262 H CYS 42 HN CYS 42 -3.805 4.867 0.842 263 HA CYS 42 HA CYS 42 -1.615 2.934 0.640 264 HB2 CYS 42 HB2 CYS 42 -3.823 2.323 2.120 265 HB3 CYS 42 HB1 CYS 42 -4.259 1.688 0.538 266 H ASN 43 HN ASN 43 -1.041 3.414 -1.406 267 HA ASN 43 HA ASN 43 -3.138 3.417 -3.467 268 HB2 ASN 43 HB2 ASN 43 -1.651 5.424 -3.323 269 HB3 ASN 43 HB1 ASN 43 -0.284 4.385 -3.718 270 HD21 ASN 43 HD21 ASN 43 -0.025 3.645 -5.789 271 HD22 ASN 43 HD22 ASN 43 -0.950 4.235 -7.123 272 H TYR 44 HN TYR 44 -1.232 1.252 -2.049 273 HA TYR 44 HA TYR 44 -1.431 -0.686 -4.033 274 HB2 TYR 44 HB2 TYR 44 0.366 -0.476 -5.358 275 HB3 TYR 44 HB1 TYR 44 0.659 1.089 -4.613 276 HD1 TYR 44 HD2 TYR 44 1.343 -2.534 -4.038 277 HD2 TYR 44 HD1 TYR 44 2.711 1.470 -3.620 278 HE1 TYR 44 HE2 TYR 44 3.476 -3.365 -3.161 279 HE2 TYR 44 HE1 TYR 44 4.856 0.654 -2.745 280 HH TYR 44 HH TYR 44 5.766 -2.652 -2.898 281 H GLY 45 HN GLY 45 -1.603 -2.442 -2.834 282 HA2 GLY 45 HA2 GLY 45 0.098 -3.817 -1.353 283 HA3 GLY 45 HA1 GLY 45 -0.306 -2.534 -0.220 284 H GLU 46 HN GLU 46 -0.810 -5.103 0.488 285 HA GLU 46 HA GLU 46 -3.274 -6.198 -0.196 286 HB2 GLU 46 HB2 GLU 46 -1.401 -6.429 2.087 287 HB3 GLU 46 HB1 GLU 46 -3.036 -7.020 2.348 288 HG2 GLU 46 HG2 GLU 46 -1.470 -8.770 1.603 289 HG3 GLU 46 HG1 GLU 46 -2.842 -8.554 0.518 290 H CYS 47 HN CYS 47 -2.494 -3.946 2.434 291 HA CYS 47 HA CYS 47 -5.157 -3.880 3.449 292 HB2 CYS 47 HB2 CYS 47 -2.590 -2.543 4.028 293 HB3 CYS 47 HB1 CYS 47 -4.037 -1.664 4.502 294 H CYS 48 HN CYS 48 -3.698 -2.279 0.791 295 HA CYS 48 HA CYS 48 -5.120 0.153 0.932 296 HB2 CYS 48 HB2 CYS 48 -4.183 -1.086 -1.638 297 HB3 CYS 48 HB1 CYS 48 -4.291 0.620 -1.208 298 H ASP 49 HN ASP 49 -6.922 0.882 -0.006 299 HA ASP 49 HA ASP 49 -8.558 -0.550 -1.806 300 HB2 ASP 49 HB2 ASP 49 -8.804 -1.609 0.676 301 HB3 ASP 49 HB1 ASP 49 -10.009 -0.328 0.770 302 H GLN 50 HN GLN 50 -9.249 1.147 -2.943 303 HA GLN 50 HA GLN 50 -10.220 3.132 -3.487 304 HB2 GLN 50 HB2 GLN 50 -11.398 2.471 -0.889 305 HB3 GLN 50 HB1 GLN 50 -11.360 4.199 -1.208 306 HG2 GLN 50 HG2 GLN 50 -12.703 3.997 -3.107 307 HG3 GLN 50 HG1 GLN 50 -12.428 2.259 -3.224 308 HE21 GLN 50 HE21 GLN 50 -13.358 4.293 -0.480 309 HE22 GLN 50 HE22 GLN 50 -14.840 3.469 -0.146 310 H CYS 51 HN CYS 51 -7.500 2.951 -2.501 311 HA CYS 51 HA CYS 51 -5.747 4.337 -2.110 312 HB2 CYS 51 HB2 CYS 51 -7.889 6.162 -2.922 313 HB3 CYS 51 HB1 CYS 51 -6.671 6.922 -1.903 314 H ARG 52 HN ARG 52 -7.514 3.278 0.066 315 HA ARG 52 HA ARG 52 -6.358 4.897 2.207 316 HB2 ARG 52 HB2 ARG 52 -8.969 5.287 1.579 317 HB3 ARG 52 HB1 ARG 52 -9.115 3.975 2.740 318 HG2 ARG 52 HG2 ARG 52 -9.337 6.086 3.868 319 HG3 ARG 52 HG1 ARG 52 -7.835 5.306 4.369 320 HD2 ARG 52 HD2 ARG 52 -6.538 6.737 2.970 321 HD3 ARG 52 HD1 ARG 52 -7.984 7.385 2.196 322 HE ARG 52 HE ARG 52 -8.308 7.994 4.830 323 HH11 ARG 52 HH11 ARG 52 -5.799 8.591 2.479 324 HH12 ARG 52 HH12 ARG 52 -5.295 10.078 3.209 325 HH21 ARG 52 HH21 ARG 52 -7.647 9.950 5.792 326 HH22 ARG 52 HH22 ARG 52 -6.344 10.850 5.090 327 H PHE 53 HN PHE 53 -5.931 3.733 4.118 328 HA PHE 53 HA PHE 53 -5.357 1.012 3.782 329 HB2 PHE 53 HB2 PHE 53 -5.555 2.699 6.276 330 HB3 PHE 53 HB1 PHE 53 -5.083 1.001 6.315 331 HD1 PHE 53 HD2 PHE 53 -3.541 1.100 3.658 332 HD2 PHE 53 HD1 PHE 53 -3.501 3.559 7.129 333 HE1 PHE 53 HE2 PHE 53 -1.231 1.712 3.185 334 HE2 PHE 53 HE1 PHE 53 -1.168 4.182 6.658 335 HZ PHE 53 HZ PHE 53 -0.023 3.259 4.682 336 H LYS 54 HN LYS 54 -6.327 -0.836 4.387 337 HA LYS 54 HA LYS 54 -9.163 -0.838 4.503 338 HB2 LYS 54 HB2 LYS 54 -7.018 -2.820 4.398 339 HB3 LYS 54 HB1 LYS 54 -8.386 -3.346 5.369 340 HG2 LYS 54 HG2 LYS 54 -9.757 -3.527 3.589 341 HG3 LYS 54 HG1 LYS 54 -9.039 -2.145 2.759 342 HD2 LYS 54 HD2 LYS 54 -7.034 -3.590 2.305 343 HD3 LYS 54 HD1 LYS 54 -7.965 -4.955 2.924 344 HE2 LYS 54 HE2 LYS 54 -9.723 -3.923 1.156 345 HE3 LYS 54 HE1 LYS 54 -8.202 -3.491 0.378 346 HZ1 LYS 54 HZ1 LYS 54 -7.578 -5.915 0.752 347 HZ2 LYS 54 HZ2 LYS 54 -8.716 -5.588 -0.456 348 HZ3 LYS 54 HZ3 LYS 54 -9.223 -6.182 1.045 349 H LYS 55 HN LYS 55 -10.095 0.093 6.232 350 HA LYS 55 HA LYS 55 -9.385 0.568 8.729 351 HB2 LYS 55 HB2 LYS 55 -11.657 0.967 7.835 352 HB3 LYS 55 HB1 LYS 55 -12.031 -0.735 8.067 353 HG2 LYS 55 HG2 LYS 55 -11.834 -0.521 10.443 354 HG3 LYS 55 HG1 LYS 55 -11.241 1.134 10.289 355 HD2 LYS 55 HD2 LYS 55 -13.322 1.965 9.713 356 HD3 LYS 55 HD1 LYS 55 -13.902 0.398 9.143 357 HE2 LYS 55 HE2 LYS 55 -15.041 0.628 11.136 358 HE3 LYS 55 HE1 LYS 55 -13.631 -0.307 11.631 359 HZ1 LYS 55 HZ1 LYS 55 -12.592 1.883 12.232 360 HZ2 LYS 55 HZ2 LYS 55 -13.890 1.405 13.205 361 HZ3 LYS 55 HZ3 LYS 55 -14.115 2.589 12.019 362 H ALA 56 HN ALA 56 -8.609 -0.452 10.457 363 HA ALA 56 HA ALA 56 -7.725 -2.987 10.577 364 HB1 ALA 56 HB1 ALA 56 -8.630 -1.124 12.706 365 HB2 ALA 56 HB2 ALA 56 -7.027 -1.790 12.388 366 HB3 ALA 56 HB3 ALA 56 -8.264 -2.793 13.147 367 H GLY 57 HN GLY 57 -8.534 -4.969 10.672 368 HA2 GLY 57 HA2 GLY 57 -10.177 -6.484 11.726 369 HA3 GLY 57 HA1 GLY 57 -11.390 -5.248 11.412 370 H THR 58 HN THR 58 -9.699 -4.922 8.769 371 HA THR 58 HA THR 58 -11.451 -6.563 7.184 372 HB THR 58 HB THR 58 -9.125 -4.787 6.408 373 HG1 THR 58 HG1 THR 58 -10.628 -3.398 6.991 374 HG21 THR 58 HG21 THR 58 -10.345 -6.709 4.830 375 HG22 THR 58 HG22 THR 58 -9.356 -5.348 4.288 376 HG23 THR 58 HG23 THR 58 -11.111 -5.187 4.368 377 H VAL 59 HN VAL 59 -11.059 -8.668 6.874 378 HA VAL 59 HA VAL 59 -8.495 -9.804 7.372 379 HB VAL 59 HB VAL 59 -10.559 -11.064 7.825 380 HG11 VAL 59 HG11 VAL 59 -11.471 -10.147 5.462 381 HG12 VAL 59 HG12 VAL 59 -12.150 -11.540 6.305 382 HG13 VAL 59 HG13 VAL 59 -10.985 -11.780 5.003 383 HG21 VAL 59 HG21 VAL 59 -9.044 -12.706 7.722 384 HG22 VAL 59 HG22 VAL 59 -8.320 -12.068 6.246 385 HG23 VAL 59 HG23 VAL 59 -9.760 -13.082 6.154 386 H CYS 60 HN CYS 60 -6.831 -9.836 6.023 387 HA CYS 60 HA CYS 60 -7.346 -9.566 3.140 388 HB2 CYS 60 HB2 CYS 60 -4.722 -9.242 4.595 389 HB3 CYS 60 HB1 CYS 60 -5.054 -8.833 2.916 390 H ARG 61 HN ARG 61 -6.073 -11.735 5.520 391 HA ARG 61 HA ARG 61 -5.679 -13.758 3.448 392 HB2 ARG 61 HB2 ARG 61 -3.510 -12.416 4.578 393 HB3 ARG 61 HB1 ARG 61 -3.570 -13.944 5.443 394 HG2 ARG 61 HG2 ARG 61 -3.615 -15.093 3.216 395 HG3 ARG 61 HG1 ARG 61 -3.300 -13.521 2.479 396 HD2 ARG 61 HD2 ARG 61 -1.521 -15.252 4.111 397 HD3 ARG 61 HD1 ARG 61 -1.152 -14.280 2.687 398 HE ARG 61 HE ARG 61 -0.916 -13.494 5.408 399 HH11 ARG 61 HH11 ARG 61 -1.549 -12.305 2.193 400 HH12 ARG 61 HH12 ARG 61 -1.120 -10.672 2.577 401 HH21 ARG 61 HH21 ARG 61 -0.392 -11.343 5.930 402 HH22 ARG 61 HH22 ARG 61 -0.452 -10.126 4.698 403 H ILE 62 HN ILE 62 -4.879 -15.873 4.727 404 HA ILE 62 HA ILE 62 -5.755 -16.339 7.333 405 HB ILE 62 HB ILE 62 -8.001 -15.968 6.595 406 HG12 ILE 62 HG12 ILE 62 -9.029 -18.180 7.032 407 HG13 ILE 62 HG11 ILE 62 -7.453 -18.935 6.818 408 HG21 ILE 62 HG21 ILE 62 -7.172 -16.766 4.141 409 HG22 ILE 62 HG22 ILE 62 -8.858 -16.546 4.608 410 HG23 ILE 62 HG23 ILE 62 -8.133 -18.154 4.651 411 HD11 ILE 62 HD11 ILE 62 -6.655 -17.462 8.717 412 HD12 ILE 62 HD12 ILE 62 -7.774 -18.760 9.132 413 HD13 ILE 62 HD13 ILE 62 -8.355 -17.100 9.010 414 H ALA 63 HN ALA 63 -4.956 -18.228 7.996 415 HA ALA 63 HA ALA 63 -3.298 -19.718 6.282 416 HB1 ALA 63 HB1 ALA 63 -3.878 -21.225 8.634 417 HB2 ALA 63 HB2 ALA 63 -3.702 -19.521 9.055 418 HB3 ALA 63 HB3 ALA 63 -2.408 -20.356 8.199 419 H ARG 64 HN ARG 64 -5.698 -21.397 8.262 420 HA ARG 64 HA ARG 64 -7.112 -22.417 5.976 421 HB2 ARG 64 HB2 ARG 64 -5.193 -24.169 7.501 422 HB3 ARG 64 HB1 ARG 64 -6.547 -24.832 6.597 423 HG2 ARG 64 HG2 ARG 64 -4.970 -24.987 4.990 424 HG3 ARG 64 HG1 ARG 64 -5.481 -23.327 4.677 425 HD2 ARG 64 HD2 ARG 64 -3.324 -22.792 4.907 426 HD3 ARG 64 HD1 ARG 64 -3.585 -23.017 6.636 427 HE ARG 64 HE ARG 64 -2.196 -24.812 6.521 428 HH11 ARG 64 HH11 ARG 64 -3.578 -24.321 3.354 429 HH12 ARG 64 HH12 ARG 64 -2.670 -25.602 2.623 430 HH21 ARG 64 HH21 ARG 64 -1.001 -26.497 5.560 431 HH22 ARG 64 HH22 ARG 64 -1.208 -26.837 3.875 432 H GLY 65 HN GLY 65 -8.521 -21.159 7.601 433 HA2 GLY 65 HA2 GLY 65 -10.558 -22.503 8.569 434 HA3 GLY 65 HA1 GLY 65 -9.385 -22.852 9.828 435 H ASP 66 HN ASP 66 -9.355 -21.551 11.504 436 HA ASP 66 HA ASP 66 -9.657 -18.732 11.335 437 HB2 ASP 66 HB2 ASP 66 -12.036 -20.384 12.018 438 HB3 ASP 66 HB1 ASP 66 -11.765 -18.928 12.971 439 H TRP 67 HN TRP 67 -7.718 -18.880 12.484 440 HA TRP 67 HA TRP 67 -8.001 -19.660 15.314 441 HB2 TRP 67 HB2 TRP 67 -5.253 -19.578 14.667 442 HB3 TRP 67 HB1 TRP 67 -6.226 -21.002 15.020 443 HD1 TRP 67 HD1 TRP 67 -5.275 -18.843 11.923 444 HE1 TRP 67 HE1 TRP 67 -5.202 -20.390 9.884 445 HE3 TRP 67 HE3 TRP 67 -6.771 -23.183 14.154 446 HZ2 TRP 67 HZ2 TRP 67 -5.691 -23.108 9.290 447 HZ3 TRP 67 HZ3 TRP 67 -6.941 -25.221 12.780 448 HH2 TRP 67 HH2 TRP 67 -6.412 -25.181 10.396 449 H ASN 68 HN ASN 68 -5.721 -17.803 13.367 450 HA ASN 68 HA ASN 68 -5.879 -15.612 15.323 451 HB2 ASN 68 HB2 ASN 68 -3.717 -15.865 13.256 452 HB3 ASN 68 HB1 ASN 68 -3.670 -15.041 14.812 453 HD21 ASN 68 HD21 ASN 68 -3.811 -18.220 13.296 454 HD22 ASN 68 HD22 ASN 68 -3.006 -19.064 14.569 455 H ASP 69 HN ASP 69 -6.024 -16.464 11.936 456 HA ASP 69 HA ASP 69 -6.847 -15.400 10.109 457 HB2 ASP 69 HB2 ASP 69 -8.188 -13.819 12.287 458 HB3 ASP 69 HB1 ASP 69 -8.457 -13.474 10.583 459 H ASP 70 HN ASP 70 -6.437 -13.670 8.727 460 HA ASP 70 HA ASP 70 -4.310 -11.891 9.658 461 HB2 ASP 70 HB2 ASP 70 -3.812 -13.253 7.678 462 HB3 ASP 70 HB1 ASP 70 -5.219 -12.593 6.862 463 H TYR 71 HN TYR 71 -4.763 -9.822 10.082 464 HA TYR 71 HA TYR 71 -7.047 -8.612 8.690 465 HB2 TYR 71 HB2 TYR 71 -6.560 -8.755 11.642 466 HB3 TYR 71 HB1 TYR 71 -7.550 -7.480 10.935 467 HD1 TYR 71 HD1 TYR 71 -9.452 -8.223 9.410 468 HD2 TYR 71 HD2 TYR 71 -7.524 -10.801 12.169 469 HE1 TYR 71 HE1 TYR 71 -11.404 -9.693 9.360 470 HE2 TYR 71 HE2 TYR 71 -9.458 -12.306 12.138 471 HH TYR 71 HH TYR 71 -11.359 -12.842 10.614 472 H CYS 72 HN CYS 72 -7.006 -6.489 8.306 473 HA CYS 72 HA CYS 72 -4.467 -5.193 8.192 474 HB2 CYS 72 HB2 CYS 72 -6.440 -4.905 6.589 475 HB3 CYS 72 HB1 CYS 72 -7.160 -3.882 7.826 476 H THR 73 HN THR 73 -4.107 -2.986 9.118 477 HA THR 73 HA THR 73 -5.324 -2.758 11.792 478 HB THR 73 HB THR 73 -3.260 -2.181 12.744 479 HG1 THR 73 HG1 THR 73 -1.447 -1.652 11.496 480 HG21 THR 73 HG21 THR 73 -3.449 -4.600 11.566 481 HG22 THR 73 HG22 THR 73 -2.101 -4.088 12.582 482 HG23 THR 73 HG23 THR 73 -1.971 -3.984 10.826 483 H GLY 74 HN GLY 74 -5.578 -1.395 8.952 484 HA2 GLY 74 HA2 GLY 74 -6.027 0.704 8.140 485 HA3 GLY 74 HA1 GLY 74 -6.659 1.002 9.751 486 H LYS 75 HN LYS 75 -3.293 0.244 9.305 487 HA LYS 75 HA LYS 75 -2.593 3.082 9.527 488 HB2 LYS 75 HB2 LYS 75 -1.651 0.880 11.362 489 HB3 LYS 75 HB1 LYS 75 -0.879 2.456 11.262 490 HG2 LYS 75 HG2 LYS 75 -3.273 3.356 11.747 491 HG3 LYS 75 HG1 LYS 75 -3.552 1.724 12.360 492 HD2 LYS 75 HD2 LYS 75 -1.193 2.293 13.545 493 HD3 LYS 75 HD1 LYS 75 -1.900 3.908 13.454 494 HE2 LYS 75 HE2 LYS 75 -2.619 3.079 15.518 495 HE3 LYS 75 HE1 LYS 75 -4.002 2.846 14.450 496 HZ1 LYS 75 HZ1 LYS 75 -2.055 0.789 15.334 497 HZ2 LYS 75 HZ2 LYS 75 -3.215 0.525 14.131 498 HZ3 LYS 75 HZ3 LYS 75 -3.703 0.872 15.713 499 H SER 76 HN SER 76 -2.258 0.466 7.689 500 HA SER 76 HA SER 76 0.097 1.411 6.423 501 HB2 SER 76 HB2 SER 76 0.350 -0.839 8.348 502 HB3 SER 76 HB1 SER 76 1.217 -0.988 6.820 503 HG SER 76 HG SER 76 2.650 0.218 7.769 504 H SER 77 HN SER 77 0.861 -0.192 4.703 505 HA SER 77 HA SER 77 -1.498 -1.180 3.313 506 HB2 SER 77 HB2 SER 77 -0.164 -1.195 1.350 507 HB3 SER 77 HB1 SER 77 0.322 0.253 2.231 508 HG SER 77 HG SER 77 1.805 -1.874 1.509 509 H ASP 78 HN ASP 78 0.140 -2.517 5.639 510 HA ASP 78 HA ASP 78 0.434 -5.132 4.317 511 HB2 ASP 78 HB2 ASP 78 1.940 -3.795 6.507 512 HB3 ASP 78 HB1 ASP 78 1.717 -5.538 6.635 513 H CYS 79 HN CYS 79 -0.567 -6.907 5.150 514 HA CYS 79 HA CYS 79 -2.482 -6.426 7.344 515 HB2 CYS 79 HB2 CYS 79 -2.941 -7.258 4.674 516 HB3 CYS 79 HB1 CYS 79 -3.250 -8.651 5.705 517 HA PRO 80 HA PRO 80 0.395 -9.545 9.120 518 HB2 PRO 80 HB2 PRO 80 -0.917 -9.416 11.581 519 HB3 PRO 80 HB1 PRO 80 0.507 -8.477 11.127 520 HG2 PRO 80 HG2 PRO 80 -2.367 -7.686 11.123 521 HG3 PRO 80 HG1 PRO 80 -0.936 -6.725 11.537 522 HD2 PRO 80 HD2 PRO 80 -2.196 -6.417 9.194 523 HD3 PRO 80 HD1 PRO 80 -0.427 -6.298 9.312 524 H TRP 81 HN TRP 81 0.067 -11.737 9.342 525 HA TRP 81 HA TRP 81 -2.724 -12.607 9.263 526 HB2 TRP 81 HB2 TRP 81 -1.647 -14.752 8.219 527 HB3 TRP 81 HB1 TRP 81 -2.037 -13.358 7.234 528 HD1 TRP 81 HD1 TRP 81 0.611 -11.608 7.722 529 HE1 TRP 81 HE1 TRP 81 2.823 -12.425 6.703 530 HE3 TRP 81 HE3 TRP 81 -0.559 -16.530 7.127 531 HZ2 TRP 81 HZ2 TRP 81 3.917 -14.841 5.747 532 HZ3 TRP 81 HZ3 TRP 81 1.116 -18.033 6.136 533 HH2 TRP 81 HH2 TRP 81 3.307 -17.203 5.462 534 H ASN 82 HN ASN 82 -0.527 -12.310 11.456 535 HA ASN 82 HA ASN 82 0.256 -13.473 13.280 536 HB2 ASN 82 HB2 ASN 82 -2.703 -14.008 13.163 537 HB3 ASN 82 HB1 ASN 82 -1.719 -14.532 14.526 538 HD21 ASN 82 HD21 ASN 82 -2.342 -11.647 12.560 539 HD22 ASN 82 HD22 ASN 82 -2.297 -10.531 13.877 540 H HIS 83 HN HIS 83 0.770 -14.988 10.923 541 HA HIS 83 HA HIS 83 0.633 -17.692 12.070 542 HB2 HIS 83 HB2 HIS 83 0.269 -17.073 9.132 543 HB3 HIS 83 HB1 HIS 83 0.219 -18.665 9.884 544 HD1 HIS 83 HD1 HIS 83 -2.099 -16.935 8.298 545 HD2 HIS 83 HD2 HIS 83 -1.866 -17.888 12.334 546 HE1 HIS 83 HE1 HIS 83 -4.453 -16.773 9.165 547 HE2 HIS 83 HE2 HIS 83 -4.258 -17.209 11.636 Start of MODEL 22 1 H1 SER 1 HT1 SER 1 21.106 -1.075 -9.870 2 H2 SER 1 HT2 SER 1 20.246 -0.173 -11.050 3 H3 SER 1 HT3 SER 1 19.816 -1.804 -10.732 4 HA SER 1 HA SER 1 19.206 -1.201 -8.495 5 HB2 SER 1 HB2 SER 1 20.803 0.909 -8.795 6 HB3 SER 1 HB1 SER 1 19.293 1.680 -9.280 7 HG SER 1 HG SER 1 18.717 1.714 -7.268 8 HA PRO 2 HA PRO 2 15.644 -1.260 -11.442 9 HB2 PRO 2 HB2 PRO 2 14.538 -2.625 -9.038 10 HB3 PRO 2 HB1 PRO 2 14.426 -3.076 -10.742 11 HG2 PRO 2 HG2 PRO 2 16.070 -4.372 -9.091 12 HG3 PRO 2 HG1 PRO 2 16.535 -4.032 -10.768 13 HD2 PRO 2 HD2 PRO 2 17.424 -2.708 -8.247 14 HD3 PRO 2 HD1 PRO 2 18.336 -3.036 -9.734 15 HA PRO 3 HA PRO 3 13.078 0.911 -7.895 16 HB2 PRO 3 HB2 PRO 3 15.198 1.591 -5.959 17 HB3 PRO 3 HB1 PRO 3 13.586 0.930 -5.673 18 HG2 PRO 3 HG2 PRO 3 15.786 -0.569 -5.371 19 HG3 PRO 3 HG1 PRO 3 14.273 -1.249 -5.999 20 HD2 PRO 3 HD2 PRO 3 16.742 -0.424 -7.479 21 HD3 PRO 3 HD1 PRO 3 15.702 -1.843 -7.724 22 H VAL 4 HN VAL 4 12.796 2.679 -9.148 23 HA VAL 4 HA VAL 4 14.925 4.718 -9.118 24 HB VAL 4 HB VAL 4 13.670 5.436 -11.328 25 HG11 VAL 4 HG11 VAL 4 15.283 3.989 -12.600 26 HG12 VAL 4 HG12 VAL 4 15.703 3.234 -11.062 27 HG13 VAL 4 HG13 VAL 4 15.996 4.955 -11.308 28 HG21 VAL 4 HG21 VAL 4 12.739 3.668 -12.589 29 HG22 VAL 4 HG22 VAL 4 11.995 3.554 -10.993 30 HG23 VAL 4 HG23 VAL 4 13.298 2.452 -11.439 31 H CYS 5 HN CYS 5 14.338 6.339 -7.822 32 HA CYS 5 HA CYS 5 11.546 7.012 -7.417 33 HB2 CYS 5 HB2 CYS 5 12.947 7.173 -5.468 34 HB3 CYS 5 HB1 CYS 5 14.134 8.147 -6.323 35 H GLY 6 HN GLY 6 10.625 7.985 -9.106 36 HA2 GLY 6 HA2 GLY 6 10.230 10.165 -10.126 37 HA3 GLY 6 HA1 GLY 6 11.979 10.352 -10.236 38 H ASN 7 HN ASN 7 10.372 7.356 -10.874 39 HA ASN 7 HA ASN 7 10.803 7.660 -13.766 40 HB2 ASN 7 HB2 ASN 7 11.802 5.593 -11.873 41 HB3 ASN 7 HB1 ASN 7 11.211 5.016 -13.430 42 HD21 ASN 7 HD21 ASN 7 13.052 4.477 -14.427 43 HD22 ASN 7 HD22 ASN 7 14.356 5.564 -14.748 44 H LYS 8 HN LYS 8 8.588 7.461 -11.477 45 HA LYS 8 HA LYS 8 6.364 7.042 -11.549 46 HB2 LYS 8 HB2 LYS 8 6.822 7.136 -14.162 47 HB3 LYS 8 HB1 LYS 8 6.530 5.407 -14.041 48 HG2 LYS 8 HG2 LYS 8 4.407 6.285 -12.682 49 HG3 LYS 8 HG1 LYS 8 4.664 7.676 -13.737 50 HD2 LYS 8 HD2 LYS 8 4.780 5.975 -15.645 51 HD3 LYS 8 HD1 LYS 8 4.093 4.826 -14.495 52 HE2 LYS 8 HE2 LYS 8 2.795 7.487 -14.908 53 HE3 LYS 8 HE1 LYS 8 2.526 6.189 -16.070 54 HZ1 LYS 8 HZ1 LYS 8 0.808 5.946 -14.555 55 HZ2 LYS 8 HZ2 LYS 8 1.783 6.291 -13.216 56 HZ3 LYS 8 HZ3 LYS 8 1.939 4.808 -14.014 57 H ILE 9 HN ILE 9 8.698 5.138 -10.810 58 HA ILE 9 HA ILE 9 7.115 2.671 -10.633 59 HB ILE 9 HB ILE 9 9.733 3.009 -11.450 60 HG12 ILE 9 HG12 ILE 9 8.575 1.082 -12.117 61 HG13 ILE 9 HG11 ILE 9 9.853 0.470 -11.072 62 HG21 ILE 9 HG21 ILE 9 11.167 1.986 -9.813 63 HG22 ILE 9 HG22 ILE 9 9.827 1.862 -8.677 64 HG23 ILE 9 HG23 ILE 9 10.441 3.448 -9.143 65 HD11 ILE 9 HD11 ILE 9 6.923 0.551 -10.639 66 HD12 ILE 9 HD12 ILE 9 7.979 0.699 -9.234 67 HD13 ILE 9 HD13 ILE 9 8.092 -0.719 -10.276 68 H LEU 10 HN LEU 10 6.453 1.938 -8.704 69 HA LEU 10 HA LEU 10 7.103 3.528 -6.345 70 HB2 LEU 10 HB2 LEU 10 5.426 1.798 -5.306 71 HB3 LEU 10 HB1 LEU 10 4.835 3.130 -6.280 72 HG LEU 10 HG LEU 10 5.399 0.589 -7.703 73 HD11 LEU 10 HD11 LEU 10 4.290 -0.104 -5.584 74 HD12 LEU 10 HD12 LEU 10 3.351 -0.447 -7.037 75 HD13 LEU 10 HD13 LEU 10 2.927 0.928 -6.018 76 HD21 LEU 10 HD21 LEU 10 3.007 1.414 -8.543 77 HD22 LEU 10 HD22 LEU 10 4.516 2.077 -9.171 78 HD23 LEU 10 HD23 LEU 10 3.622 2.947 -7.924 79 H GLU 11 HN GLU 11 9.341 2.494 -7.005 80 HA GLU 11 HA GLU 11 9.670 0.074 -5.365 81 HB2 GLU 11 HB2 GLU 11 9.968 -0.421 -7.749 82 HB3 GLU 11 HB1 GLU 11 11.212 0.815 -7.850 83 HG2 GLU 11 HG2 GLU 11 12.546 -0.989 -7.600 84 HG3 GLU 11 HG1 GLU 11 12.271 -0.630 -5.896 85 H GLN 12 HN GLN 12 11.419 2.932 -6.659 86 HA GLN 12 HA GLN 12 13.590 2.687 -4.860 87 HB2 GLN 12 HB2 GLN 12 13.659 4.093 -6.887 88 HB3 GLN 12 HB1 GLN 12 12.556 5.221 -6.132 89 HG2 GLN 12 HG2 GLN 12 14.738 6.109 -5.918 90 HG3 GLN 12 HG1 GLN 12 14.240 5.546 -4.324 91 HE21 GLN 12 HE21 GLN 12 16.736 5.628 -6.435 92 HE22 GLN 12 HE22 GLN 12 17.634 4.258 -5.887 93 H GLY 13 HN GLY 13 12.136 2.099 -2.990 94 HA2 GLY 13 HA2 GLY 13 11.068 2.589 -1.005 95 HA3 GLY 13 HA1 GLY 13 12.385 3.740 -0.878 96 H GLU 14 HN GLU 14 9.789 4.004 -3.252 97 HA GLU 14 HA GLU 14 9.052 6.530 -1.980 98 HB2 GLU 14 HB2 GLU 14 7.645 6.721 -4.192 99 HB3 GLU 14 HB1 GLU 14 9.366 7.067 -4.179 100 HG2 GLU 14 HG2 GLU 14 8.762 4.269 -4.728 101 HG3 GLU 14 HG1 GLU 14 8.070 5.383 -5.904 102 H ASP 15 HN ASP 15 7.333 3.820 -3.541 103 HA ASP 15 HA ASP 15 5.410 2.733 -2.927 104 HB2 ASP 15 HB2 ASP 15 6.230 3.312 -0.522 105 HB3 ASP 15 HB1 ASP 15 5.017 4.587 -0.593 106 H CYS 16 HN CYS 16 5.796 5.581 -4.175 107 HA CYS 16 HA CYS 16 3.377 5.920 -5.374 108 HB2 CYS 16 HB2 CYS 16 3.336 6.918 -2.635 109 HB3 CYS 16 HB1 CYS 16 2.918 8.160 -3.809 110 H ASP 17 HN ASP 17 5.136 6.317 -6.857 111 HA ASP 17 HA ASP 17 5.952 9.141 -6.822 112 HB2 ASP 17 HB2 ASP 17 7.922 7.984 -6.190 113 HB3 ASP 17 HB1 ASP 17 7.653 6.716 -7.380 114 H CYS 18 HN CYS 18 6.551 9.987 -8.920 115 HA CYS 18 HA CYS 18 5.220 8.621 -11.163 116 HB2 CYS 18 HB2 CYS 18 5.163 11.570 -10.495 117 HB3 CYS 18 HB1 CYS 18 4.590 10.883 -12.007 118 H GLY 19 HN GLY 19 6.236 8.799 -13.170 119 HA2 GLY 19 HA2 GLY 19 8.986 8.904 -13.286 120 HA3 GLY 19 HA1 GLY 19 7.940 9.173 -14.672 121 H SER 20 HN SER 20 6.720 11.531 -14.064 122 HA SER 20 HA SER 20 8.863 13.447 -13.506 123 HB2 SER 20 HB2 SER 20 7.425 13.087 -16.078 124 HB3 SER 20 HB1 SER 20 7.664 14.748 -15.536 125 HG SER 20 HG SER 20 9.379 13.663 -16.867 126 HA PRO 21 HA PRO 21 5.773 15.221 -10.826 127 HB2 PRO 21 HB2 PRO 21 7.181 17.728 -11.642 128 HB3 PRO 21 HB1 PRO 21 6.722 17.171 -10.029 129 HG2 PRO 21 HG2 PRO 21 9.243 16.980 -10.865 130 HG3 PRO 21 HG1 PRO 21 8.507 15.700 -9.883 131 HD2 PRO 21 HD2 PRO 21 9.143 15.730 -12.787 132 HD3 PRO 21 HD1 PRO 21 9.114 14.370 -11.648 133 H ALA 22 HN ALA 22 6.440 16.392 -14.064 134 HA ALA 22 HA ALA 22 4.000 17.945 -14.195 135 HB1 ALA 22 HB1 ALA 22 6.177 18.549 -15.357 136 HB2 ALA 22 HB2 ALA 22 4.709 18.640 -16.331 137 HB3 ALA 22 HB3 ALA 22 5.800 17.265 -16.505 138 H ASN 23 HN ASN 23 5.131 14.780 -15.081 139 HA ASN 23 HA ASN 23 2.599 14.242 -16.474 140 HB2 ASN 23 HB2 ASN 23 5.355 13.140 -16.728 141 HB3 ASN 23 HB1 ASN 23 4.008 12.049 -17.041 142 HD21 ASN 23 HD21 ASN 23 4.779 15.441 -17.762 143 HD22 ASN 23 HD22 ASN 23 4.398 15.346 -19.444 144 H CYS 24 HN CYS 24 3.175 14.311 -13.514 145 HA CYS 24 HA CYS 24 3.084 11.648 -12.554 146 HB2 CYS 24 HB2 CYS 24 3.871 13.561 -11.195 147 HB3 CYS 24 HB1 CYS 24 2.228 14.191 -11.164 148 H GLN 25 HN GLN 25 1.453 10.651 -13.750 149 HA GLN 25 HA GLN 25 -1.273 11.602 -13.508 150 HB2 GLN 25 HB2 GLN 25 0.166 9.657 -15.161 151 HB3 GLN 25 HB1 GLN 25 -1.431 9.111 -14.668 152 HG2 GLN 25 HG2 GLN 25 -2.413 11.148 -15.586 153 HG3 GLN 25 HG1 GLN 25 -0.812 11.693 -16.082 154 HE21 GLN 25 HE21 GLN 25 0.336 9.572 -17.184 155 HE22 GLN 25 HE22 GLN 25 -0.564 8.996 -18.541 156 H ASP 26 HN ASP 26 -0.286 11.096 -11.010 157 HA ASP 26 HA ASP 26 -1.940 8.828 -10.185 158 HB2 ASP 26 HB2 ASP 26 0.793 9.382 -9.012 159 HB3 ASP 26 HB1 ASP 26 -0.282 8.045 -8.612 160 H ARG 27 HN ARG 27 -3.529 10.132 -9.399 161 HA ARG 27 HA ARG 27 -3.146 12.493 -7.939 162 HB2 ARG 27 HB2 ARG 27 -5.249 11.915 -9.040 163 HB3 ARG 27 HB1 ARG 27 -5.490 10.591 -7.909 164 HG2 ARG 27 HG2 ARG 27 -6.138 11.961 -6.222 165 HG3 ARG 27 HG1 ARG 27 -5.107 13.290 -6.758 166 HD2 ARG 27 HD2 ARG 27 -6.696 14.152 -8.111 167 HD3 ARG 27 HD1 ARG 27 -7.303 12.565 -8.582 168 HE ARG 27 HE ARG 27 -7.931 13.254 -5.870 169 HH11 ARG 27 HH11 ARG 27 -8.931 13.604 -9.195 170 HH12 ARG 27 HH12 ARG 27 -10.592 13.885 -8.797 171 HH21 ARG 27 HH21 ARG 27 -10.115 13.624 -5.344 172 HH22 ARG 27 HH22 ARG 27 -11.265 13.897 -6.610 173 H CYS 28 HN CYS 28 -2.917 9.187 -6.977 174 HA CYS 28 HA CYS 28 -3.004 9.952 -4.144 175 HB2 CYS 28 HB2 CYS 28 -3.457 7.393 -5.607 176 HB3 CYS 28 HB1 CYS 28 -2.836 7.311 -3.961 177 H CYS 29 HN CYS 29 -0.764 9.792 -6.499 178 HA CYS 29 HA CYS 29 1.374 9.236 -4.579 179 HB2 CYS 29 HB2 CYS 29 1.307 8.080 -7.373 180 HB3 CYS 29 HB1 CYS 29 2.618 7.913 -6.220 181 H ASN 30 HN ASN 30 2.860 10.813 -4.611 182 HA ASN 30 HA ASN 30 2.952 12.571 -6.975 183 HB2 ASN 30 HB2 ASN 30 2.163 13.805 -5.089 184 HB3 ASN 30 HB1 ASN 30 3.433 13.166 -4.055 185 HD21 ASN 30 HD21 ASN 30 4.589 14.879 -3.496 186 HD22 ASN 30 HD22 ASN 30 5.282 16.023 -4.588 187 H ALA 31 HN ALA 31 4.808 12.931 -8.005 188 HA ALA 31 HA ALA 31 7.065 11.253 -7.477 189 HB1 ALA 31 HB1 ALA 31 6.870 11.598 -9.725 190 HB2 ALA 31 HB2 ALA 31 8.032 12.863 -9.343 191 HB3 ALA 31 HB3 ALA 31 6.326 13.261 -9.538 192 H ALA 32 HN ALA 32 6.370 14.700 -7.175 193 HA ALA 32 HA ALA 32 8.900 15.634 -6.506 194 HB1 ALA 32 HB1 ALA 32 6.277 16.663 -6.561 195 HB2 ALA 32 HB2 ALA 32 7.794 17.554 -6.436 196 HB3 ALA 32 HB3 ALA 32 6.946 17.047 -4.975 197 H THR 33 HN THR 33 6.824 13.590 -4.712 198 HA THR 33 HA THR 33 8.462 14.006 -2.300 199 HB THR 33 HB THR 33 6.034 14.642 -2.076 200 HG1 THR 33 HG1 THR 33 6.081 13.959 -0.076 201 HG21 THR 33 HG21 THR 33 4.309 13.103 -2.122 202 HG22 THR 33 HG22 THR 33 5.400 11.720 -2.042 203 HG23 THR 33 HG23 THR 33 5.268 12.655 -3.531 204 H CYS 34 HN CYS 34 7.450 11.845 -4.741 205 HA CYS 34 HA CYS 34 7.695 9.621 -5.080 206 HB2 CYS 34 HB2 CYS 34 10.136 10.581 -3.869 207 HB3 CYS 34 HB1 CYS 34 9.837 8.922 -3.365 208 H LYS 35 HN LYS 35 5.750 10.254 -3.329 209 HA LYS 35 HA LYS 35 5.424 7.865 -1.824 210 HB2 LYS 35 HB2 LYS 35 6.609 8.569 -0.019 211 HB3 LYS 35 HB1 LYS 35 6.504 10.257 -0.480 212 HG2 LYS 35 HG2 LYS 35 5.351 10.232 1.500 213 HG3 LYS 35 HG1 LYS 35 4.038 10.051 0.340 214 HD2 LYS 35 HD2 LYS 35 3.455 8.315 1.659 215 HD3 LYS 35 HD1 LYS 35 4.705 7.459 0.753 216 HE2 LYS 35 HE2 LYS 35 5.119 7.038 3.049 217 HE3 LYS 35 HE1 LYS 35 6.337 8.197 2.520 218 HZ1 LYS 35 HZ1 LYS 35 3.837 9.169 3.728 219 HZ2 LYS 35 HZ2 LYS 35 5.367 9.892 3.704 220 HZ3 LYS 35 HZ3 LYS 35 5.069 8.579 4.728 221 H LEU 36 HN LEU 36 3.328 7.860 -0.640 222 HA LEU 36 HA LEU 36 1.205 8.591 -2.181 223 HB2 LEU 36 HB2 LEU 36 1.373 8.221 0.799 224 HB3 LEU 36 HB1 LEU 36 -0.150 8.482 -0.029 225 HG LEU 36 HG LEU 36 1.553 6.284 -1.057 226 HD11 LEU 36 HD11 LEU 36 0.123 6.164 1.591 227 HD12 LEU 36 HD12 LEU 36 1.841 5.902 1.288 228 HD13 LEU 36 HD13 LEU 36 0.652 4.749 0.681 229 HD21 LEU 36 HD21 LEU 36 -1.332 6.049 -0.395 230 HD22 LEU 36 HD22 LEU 36 -0.429 5.415 -1.771 231 HD23 LEU 36 HD23 LEU 36 -0.870 7.122 -1.716 232 H THR 37 HN THR 37 -0.306 10.241 -2.230 233 HA THR 37 HA THR 37 0.713 12.843 -1.427 234 HB THR 37 HB THR 37 -1.663 13.356 -2.661 235 HG1 THR 37 HG1 THR 37 -2.199 11.809 -3.995 236 HG21 THR 37 HG21 THR 37 -0.191 14.466 -3.880 237 HG22 THR 37 HG22 THR 37 0.041 12.987 -4.811 238 HG23 THR 37 HG23 THR 37 1.107 13.351 -3.454 239 HA PRO 38 HA PRO 38 -1.894 13.697 2.016 240 HB2 PRO 38 HB2 PRO 38 -3.329 15.933 1.216 241 HB3 PRO 38 HB1 PRO 38 -1.700 15.962 1.897 242 HG2 PRO 38 HG2 PRO 38 -2.565 16.085 -0.960 243 HG3 PRO 38 HG1 PRO 38 -1.256 16.960 -0.143 244 HD2 PRO 38 HD2 PRO 38 -0.754 14.852 -1.717 245 HD3 PRO 38 HD1 PRO 38 0.185 15.143 -0.238 246 H GLY 39 HN GLY 39 -3.489 12.311 2.452 247 HA2 GLY 39 HA2 GLY 39 -5.918 12.072 2.542 248 HA3 GLY 39 HA1 GLY 39 -5.955 12.490 0.835 249 H SER 40 HN SER 40 -3.583 10.797 0.290 250 HA SER 40 HA SER 40 -5.004 8.237 0.186 251 HB2 SER 40 HB2 SER 40 -3.733 7.701 -1.720 252 HB3 SER 40 HB1 SER 40 -4.059 9.424 -1.906 253 HG SER 40 HG SER 40 -1.876 9.003 -2.292 254 H GLN 41 HN GLN 41 -4.374 6.574 1.396 255 HA GLN 41 HA GLN 41 -1.736 6.730 2.696 256 HB2 GLN 41 HB2 GLN 41 -4.371 5.636 3.641 257 HB3 GLN 41 HB1 GLN 41 -2.859 5.123 4.376 258 HG2 GLN 41 HG2 GLN 41 -3.177 8.025 4.139 259 HG3 GLN 41 HG1 GLN 41 -4.347 7.233 5.194 260 HE21 GLN 41 HE21 GLN 41 -0.878 6.909 4.496 261 HE22 GLN 41 HE22 GLN 41 -0.373 6.908 6.148 262 H CYS 42 HN CYS 42 -3.841 4.804 0.730 263 HA CYS 42 HA CYS 42 -1.708 2.810 0.464 264 HB2 CYS 42 HB2 CYS 42 -3.891 2.262 1.989 265 HB3 CYS 42 HB1 CYS 42 -4.406 1.671 0.413 266 H ASN 43 HN ASN 43 -1.160 3.370 -1.583 267 HA ASN 43 HA ASN 43 -3.284 3.380 -3.615 268 HB2 ASN 43 HB2 ASN 43 -1.801 5.379 -3.501 269 HB3 ASN 43 HB1 ASN 43 -0.427 4.343 -3.875 270 HD21 ASN 43 HD21 ASN 43 -0.154 3.576 -5.939 271 HD22 ASN 43 HD22 ASN 43 -1.068 4.157 -7.286 272 H TYR 44 HN TYR 44 -1.376 1.197 -2.229 273 HA TYR 44 HA TYR 44 -1.604 -0.717 -4.248 274 HB2 TYR 44 HB2 TYR 44 0.239 -0.548 -5.518 275 HB3 TYR 44 HB1 TYR 44 0.517 1.021 -4.775 276 HD1 TYR 44 HD1 TYR 44 1.180 -2.601 -4.182 277 HD2 TYR 44 HD2 TYR 44 2.533 1.401 -3.704 278 HE1 TYR 44 HE1 TYR 44 3.283 -3.436 -3.242 279 HE2 TYR 44 HE2 TYR 44 4.650 0.581 -2.765 280 HH TYR 44 HH TYR 44 5.108 -2.396 -1.590 281 H GLY 45 HN GLY 45 -1.808 -2.507 -3.103 282 HA2 GLY 45 HA2 GLY 45 -0.203 -3.953 -1.614 283 HA3 GLY 45 HA1 GLY 45 -0.552 -2.669 -0.465 284 H GLU 46 HN GLU 46 -1.173 -5.245 0.185 285 HA GLU 46 HA GLU 46 -3.703 -6.178 -0.520 286 HB2 GLU 46 HB2 GLU 46 -1.692 -6.759 1.464 287 HB3 GLU 46 HB1 GLU 46 -3.299 -6.898 2.162 288 HG2 GLU 46 HG2 GLU 46 -2.192 -8.377 -0.209 289 HG3 GLU 46 HG1 GLU 46 -2.680 -9.038 1.351 290 H CYS 47 HN CYS 47 -2.760 -4.083 2.185 291 HA CYS 47 HA CYS 47 -5.381 -3.918 3.263 292 HB2 CYS 47 HB2 CYS 47 -2.762 -2.634 3.773 293 HB3 CYS 47 HB1 CYS 47 -4.189 -1.790 4.362 294 H CYS 48 HN CYS 48 -3.967 -2.328 0.581 295 HA CYS 48 HA CYS 48 -5.298 0.150 0.809 296 HB2 CYS 48 HB2 CYS 48 -4.493 -1.086 -1.809 297 HB3 CYS 48 HB1 CYS 48 -4.539 0.618 -1.358 298 H ASP 49 HN ASP 49 -7.104 0.953 -0.058 299 HA ASP 49 HA ASP 49 -8.857 -0.425 -1.799 300 HB2 ASP 49 HB2 ASP 49 -9.099 -1.553 0.578 301 HB3 ASP 49 HB1 ASP 49 -10.065 -0.122 0.926 302 H GLN 50 HN GLN 50 -9.486 1.296 -2.941 303 HA GLN 50 HA GLN 50 -10.341 3.334 -3.486 304 HB2 GLN 50 HB2 GLN 50 -11.507 2.792 -0.824 305 HB3 GLN 50 HB1 GLN 50 -11.507 4.479 -1.319 306 HG2 GLN 50 HG2 GLN 50 -12.523 3.566 -3.522 307 HG3 GLN 50 HG1 GLN 50 -12.904 2.147 -2.549 308 HE21 GLN 50 HE21 GLN 50 -15.112 2.488 -2.723 309 HE22 GLN 50 HE22 GLN 50 -15.921 3.761 -1.880 310 H CYS 51 HN CYS 51 -7.642 3.033 -2.484 311 HA CYS 51 HA CYS 51 -5.834 4.330 -2.056 312 HB2 CYS 51 HB2 CYS 51 -7.892 6.296 -2.825 313 HB3 CYS 51 HB1 CYS 51 -6.559 6.948 -1.878 314 H ARG 52 HN ARG 52 -7.515 3.263 0.083 315 HA ARG 52 HA ARG 52 -6.416 4.872 2.254 316 HB2 ARG 52 HB2 ARG 52 -9.325 4.358 1.795 317 HB3 ARG 52 HB1 ARG 52 -8.725 4.386 3.447 318 HG2 ARG 52 HG2 ARG 52 -7.920 6.639 1.717 319 HG3 ARG 52 HG1 ARG 52 -9.623 6.555 2.174 320 HD2 ARG 52 HD2 ARG 52 -9.198 7.012 4.345 321 HD3 ARG 52 HD1 ARG 52 -7.687 6.103 4.350 322 HE ARG 52 HE ARG 52 -7.192 8.330 2.822 323 HH11 ARG 52 HH11 ARG 52 -8.243 7.724 6.094 324 HH12 ARG 52 HH12 ARG 52 -7.532 9.172 6.723 325 HH21 ARG 52 HH21 ARG 52 -6.256 10.235 3.648 326 HH22 ARG 52 HH22 ARG 52 -6.404 10.598 5.335 327 H PHE 53 HN PHE 53 -5.911 3.669 4.103 328 HA PHE 53 HA PHE 53 -5.380 0.945 3.710 329 HB2 PHE 53 HB2 PHE 53 -5.444 2.603 6.230 330 HB3 PHE 53 HB1 PHE 53 -4.988 0.900 6.225 331 HD1 PHE 53 HD2 PHE 53 -3.575 1.010 3.506 332 HD2 PHE 53 HD1 PHE 53 -3.342 3.442 6.987 333 HE1 PHE 53 HE2 PHE 53 -1.285 1.605 2.921 334 HE2 PHE 53 HE1 PHE 53 -1.030 4.049 6.406 335 HZ PHE 53 HZ PHE 53 0.008 3.131 4.369 336 H LYS 54 HN LYS 54 -6.335 -0.898 4.344 337 HA LYS 54 HA LYS 54 -9.166 -0.872 4.587 338 HB2 LYS 54 HB2 LYS 54 -7.054 -2.871 4.329 339 HB3 LYS 54 HB1 LYS 54 -8.365 -3.405 5.372 340 HG2 LYS 54 HG2 LYS 54 -9.849 -3.531 3.676 341 HG3 LYS 54 HG1 LYS 54 -9.153 -2.154 2.820 342 HD2 LYS 54 HD2 LYS 54 -7.192 -3.653 2.270 343 HD3 LYS 54 HD1 LYS 54 -8.162 -4.996 2.877 344 HE2 LYS 54 HE2 LYS 54 -9.931 -3.843 1.203 345 HE3 LYS 54 HE1 LYS 54 -8.421 -3.435 0.389 346 HZ1 LYS 54 HZ1 LYS 54 -8.974 -5.474 -0.510 347 HZ2 LYS 54 HZ2 LYS 54 -9.557 -6.096 0.950 348 HZ3 LYS 54 HZ3 LYS 54 -7.892 -5.916 0.714 349 H LYS 55 HN LYS 55 -9.964 0.079 6.375 350 HA LYS 55 HA LYS 55 -9.147 0.495 8.837 351 HB2 LYS 55 HB2 LYS 55 -11.448 0.942 8.072 352 HB3 LYS 55 HB1 LYS 55 -11.836 -0.761 8.269 353 HG2 LYS 55 HG2 LYS 55 -12.649 0.589 10.136 354 HG3 LYS 55 HG1 LYS 55 -11.456 -0.603 10.657 355 HD2 LYS 55 HD2 LYS 55 -9.725 1.139 10.640 356 HD3 LYS 55 HD1 LYS 55 -10.933 2.325 10.142 357 HE2 LYS 55 HE2 LYS 55 -11.096 2.715 12.354 358 HE3 LYS 55 HE1 LYS 55 -12.134 1.290 12.328 359 HZ1 LYS 55 HZ1 LYS 55 -10.629 0.869 14.026 360 HZ2 LYS 55 HZ2 LYS 55 -9.312 1.496 13.170 361 HZ3 LYS 55 HZ3 LYS 55 -9.977 0.007 12.723 362 H ALA 56 HN ALA 56 -8.322 -0.548 10.529 363 HA ALA 56 HA ALA 56 -7.467 -3.103 10.580 364 HB1 ALA 56 HB1 ALA 56 -6.655 -1.927 12.359 365 HB2 ALA 56 HB2 ALA 56 -7.871 -2.909 13.177 366 HB3 ALA 56 HB3 ALA 56 -8.226 -1.231 12.759 367 H GLY 57 HN GLY 57 -8.327 -5.067 10.675 368 HA2 GLY 57 HA2 GLY 57 -9.948 -6.555 11.806 369 HA3 GLY 57 HA1 GLY 57 -11.144 -5.287 11.568 370 H THR 58 HN THR 58 -9.535 -5.008 8.848 371 HA THR 58 HA THR 58 -11.417 -6.582 7.333 372 HB THR 58 HB THR 58 -9.107 -4.822 6.483 373 HG1 THR 58 HG1 THR 58 -10.648 -3.516 7.268 374 HG21 THR 58 HG21 THR 58 -9.420 -5.352 4.363 375 HG22 THR 58 HG22 THR 58 -11.168 -5.165 4.509 376 HG23 THR 58 HG23 THR 58 -10.410 -6.705 4.915 377 H VAL 59 HN VAL 59 -11.063 -8.715 7.100 378 HA VAL 59 HA VAL 59 -8.502 -9.896 7.406 379 HB VAL 59 HB VAL 59 -10.499 -11.164 7.972 380 HG11 VAL 59 HG11 VAL 59 -11.262 -11.715 5.185 381 HG12 VAL 59 HG12 VAL 59 -11.635 -10.094 5.770 382 HG13 VAL 59 HG13 VAL 59 -12.266 -11.505 6.619 383 HG21 VAL 59 HG21 VAL 59 -9.956 -13.269 6.895 384 HG22 VAL 59 HG22 VAL 59 -8.480 -12.389 7.292 385 HG23 VAL 59 HG23 VAL 59 -9.070 -12.416 5.630 386 H CYS 60 HN CYS 60 -6.911 -9.951 5.980 387 HA CYS 60 HA CYS 60 -7.555 -9.674 3.121 388 HB2 CYS 60 HB2 CYS 60 -4.849 -9.373 4.420 389 HB3 CYS 60 HB1 CYS 60 -5.301 -8.918 2.782 390 H ARG 61 HN ARG 61 -6.158 -11.788 5.480 391 HA ARG 61 HA ARG 61 -6.011 -13.920 3.523 392 HB2 ARG 61 HB2 ARG 61 -3.558 -13.334 5.169 393 HB3 ARG 61 HB1 ARG 61 -3.724 -14.470 3.838 394 HG2 ARG 61 HG2 ARG 61 -3.998 -12.615 2.281 395 HG3 ARG 61 HG1 ARG 61 -3.841 -11.470 3.614 396 HD2 ARG 61 HD2 ARG 61 -1.739 -13.445 2.729 397 HD3 ARG 61 HD1 ARG 61 -1.744 -11.720 2.369 398 HE ARG 61 HE ARG 61 -1.816 -12.425 5.180 399 HH11 ARG 61 HH11 ARG 61 0.163 -11.558 2.437 400 HH12 ARG 61 HH12 ARG 61 1.488 -11.017 3.410 401 HH21 ARG 61 HH21 ARG 61 -0.076 -11.719 6.456 402 HH22 ARG 61 HH22 ARG 61 1.354 -11.109 5.691 403 H ILE 62 HN ILE 62 -5.248 -15.995 4.630 404 HA ILE 62 HA ILE 62 -5.666 -16.201 7.467 405 HB ILE 62 HB ILE 62 -7.594 -17.730 5.723 406 HG12 ILE 62 HG12 ILE 62 -9.334 -16.184 6.811 407 HG13 ILE 62 HG11 ILE 62 -7.987 -15.106 7.153 408 HG21 ILE 62 HG21 ILE 62 -8.356 -18.690 7.612 409 HG22 ILE 62 HG22 ILE 62 -8.128 -17.230 8.574 410 HG23 ILE 62 HG23 ILE 62 -6.753 -18.275 8.217 411 HD11 ILE 62 HD11 ILE 62 -7.731 -15.742 4.462 412 HD12 ILE 62 HD12 ILE 62 -8.311 -14.227 5.154 413 HD13 ILE 62 HD13 ILE 62 -9.459 -15.495 4.718 414 H ALA 63 HN ALA 63 -4.399 -17.778 8.176 415 HA ALA 63 HA ALA 63 -2.632 -19.208 6.679 416 HB1 ALA 63 HB1 ALA 63 -3.266 -20.868 8.879 417 HB2 ALA 63 HB2 ALA 63 -3.449 -19.192 9.397 418 HB3 ALA 63 HB3 ALA 63 -1.922 -19.739 8.706 419 H ARG 64 HN ARG 64 -5.421 -20.821 8.192 420 HA ARG 64 HA ARG 64 -6.454 -21.991 5.886 421 HB2 ARG 64 HB2 ARG 64 -4.028 -23.093 6.274 422 HB3 ARG 64 HB1 ARG 64 -4.997 -24.171 7.267 423 HG2 ARG 64 HG2 ARG 64 -4.791 -25.102 5.071 424 HG3 ARG 64 HG1 ARG 64 -6.461 -24.587 5.319 425 HD2 ARG 64 HD2 ARG 64 -6.104 -22.604 4.016 426 HD3 ARG 64 HD1 ARG 64 -4.376 -22.934 3.903 427 HE ARG 64 HE ARG 64 -6.462 -24.070 2.298 428 HH11 ARG 64 HH11 ARG 64 -3.253 -24.589 3.567 429 HH12 ARG 64 HH12 ARG 64 -2.798 -25.689 2.309 430 HH21 ARG 64 HH21 ARG 64 -5.866 -25.517 0.644 431 HH22 ARG 64 HH22 ARG 64 -4.281 -26.216 0.649 432 H GLY 65 HN GLY 65 -8.067 -21.108 7.512 433 HA2 GLY 65 HA2 GLY 65 -9.880 -22.820 8.364 434 HA3 GLY 65 HA1 GLY 65 -8.699 -22.998 9.653 435 H ASP 66 HN ASP 66 -8.934 -21.735 11.362 436 HA ASP 66 HA ASP 66 -9.680 -19.007 11.218 437 HB2 ASP 66 HB2 ASP 66 -11.863 -20.626 11.020 438 HB3 ASP 66 HB1 ASP 66 -11.772 -20.393 12.763 439 H TRP 67 HN TRP 67 -7.728 -19.016 12.421 440 HA TRP 67 HA TRP 67 -8.078 -19.748 15.255 441 HB2 TRP 67 HB2 TRP 67 -5.323 -19.497 14.750 442 HB3 TRP 67 HB1 TRP 67 -6.213 -20.983 15.051 443 HD1 TRP 67 HD1 TRP 67 -5.345 -18.746 11.990 444 HE1 TRP 67 HE1 TRP 67 -4.985 -20.291 9.973 445 HE3 TRP 67 HE3 TRP 67 -6.406 -23.218 14.204 446 HZ2 TRP 67 HZ2 TRP 67 -5.129 -23.043 9.391 447 HZ3 TRP 67 HZ3 TRP 67 -6.272 -25.270 12.847 448 HH2 TRP 67 HH2 TRP 67 -5.645 -25.182 10.488 449 H ASN 68 HN ASN 68 -5.850 -17.773 13.360 450 HA ASN 68 HA ASN 68 -6.356 -15.520 15.187 451 HB2 ASN 68 HB2 ASN 68 -3.901 -15.741 13.464 452 HB3 ASN 68 HB1 ASN 68 -4.131 -14.816 14.944 453 HD21 ASN 68 HD21 ASN 68 -3.873 -18.092 13.670 454 HD22 ASN 68 HD22 ASN 68 -3.207 -18.790 15.104 455 H ASP 69 HN ASP 69 -5.958 -16.542 11.856 456 HA ASP 69 HA ASP 69 -6.599 -15.636 9.876 457 HB2 ASP 69 HB2 ASP 69 -8.423 -14.317 11.829 458 HB3 ASP 69 HB1 ASP 69 -8.372 -13.689 10.185 459 H ASP 70 HN ASP 70 -6.090 -13.964 8.456 460 HA ASP 70 HA ASP 70 -4.169 -12.064 9.505 461 HB2 ASP 70 HB2 ASP 70 -3.830 -13.429 7.368 462 HB3 ASP 70 HB1 ASP 70 -5.013 -12.361 6.629 463 H TYR 71 HN TYR 71 -4.602 -9.986 9.928 464 HA TYR 71 HA TYR 71 -6.951 -8.783 8.643 465 HB2 TYR 71 HB2 TYR 71 -6.378 -9.024 11.566 466 HB3 TYR 71 HB1 TYR 71 -7.327 -7.670 10.955 467 HD1 TYR 71 HD1 TYR 71 -9.355 -8.198 9.557 468 HD2 TYR 71 HD2 TYR 71 -7.380 -11.102 11.929 469 HE1 TYR 71 HE1 TYR 71 -11.374 -9.580 9.501 470 HE2 TYR 71 HE2 TYR 71 -9.380 -12.519 11.880 471 HH TYR 71 HH TYR 71 -11.998 -12.002 11.549 472 H CYS 72 HN CYS 72 -6.920 -6.636 8.282 473 HA CYS 72 HA CYS 72 -4.379 -5.366 8.088 474 HB2 CYS 72 HB2 CYS 72 -6.414 -5.034 6.571 475 HB3 CYS 72 HB1 CYS 72 -7.056 -4.002 7.843 476 H THR 73 HN THR 73 -3.949 -3.178 9.017 477 HA THR 73 HA THR 73 -5.057 -2.954 11.738 478 HB THR 73 HB THR 73 -2.950 -2.452 12.625 479 HG1 THR 73 HG1 THR 73 -1.156 -1.966 11.291 480 HG21 THR 73 HG21 THR 73 -1.752 -4.223 10.622 481 HG22 THR 73 HG22 THR 73 -3.219 -4.836 11.387 482 HG23 THR 73 HG23 THR 73 -1.834 -4.375 12.377 483 H GLY 74 HN GLY 74 -5.387 -1.562 8.923 484 HA2 GLY 74 HA2 GLY 74 -5.824 0.551 8.144 485 HA3 GLY 74 HA1 GLY 74 -6.366 0.860 9.786 486 H LYS 75 HN LYS 75 -3.050 0.008 9.156 487 HA LYS 75 HA LYS 75 -2.265 2.826 9.406 488 HB2 LYS 75 HB2 LYS 75 -1.113 0.549 11.022 489 HB3 LYS 75 HB1 LYS 75 -0.510 2.201 11.020 490 HG2 LYS 75 HG2 LYS 75 -3.162 2.541 11.614 491 HG3 LYS 75 HG1 LYS 75 -2.771 1.030 12.437 492 HD2 LYS 75 HD2 LYS 75 -0.890 2.120 13.553 493 HD3 LYS 75 HD1 LYS 75 -1.263 3.629 12.718 494 HE2 LYS 75 HE2 LYS 75 -2.866 2.209 14.826 495 HE3 LYS 75 HE1 LYS 75 -2.203 3.842 14.869 496 HZ1 LYS 75 HZ1 LYS 75 -4.327 4.343 14.338 497 HZ2 LYS 75 HZ2 LYS 75 -4.630 2.856 13.593 498 HZ3 LYS 75 HZ3 LYS 75 -3.776 4.058 12.764 499 H SER 76 HN SER 76 -2.099 0.218 7.485 500 HA SER 76 HA SER 76 0.135 1.197 6.040 501 HB2 SER 76 HB2 SER 76 1.365 0.065 7.855 502 HB3 SER 76 HB1 SER 76 0.549 -1.446 7.453 503 HG SER 76 HG SER 76 2.229 0.041 5.713 504 H SER 77 HN SER 77 0.787 -0.417 4.266 505 HA SER 77 HA SER 77 -1.663 -1.384 3.030 506 HB2 SER 77 HB2 SER 77 -0.500 -1.335 0.995 507 HB3 SER 77 HB1 SER 77 0.197 0.018 1.885 508 HG SER 77 HG SER 77 1.338 -2.382 1.119 509 H ASP 78 HN ASP 78 0.108 -2.733 5.254 510 HA ASP 78 HA ASP 78 0.299 -5.351 3.923 511 HB2 ASP 78 HB2 ASP 78 1.763 -4.283 6.343 512 HB3 ASP 78 HB1 ASP 78 1.857 -5.952 5.790 513 H CYS 79 HN CYS 79 -0.659 -7.117 4.802 514 HA CYS 79 HA CYS 79 -2.435 -6.645 7.111 515 HB2 CYS 79 HB2 CYS 79 -3.065 -7.447 4.465 516 HB3 CYS 79 HB1 CYS 79 -3.321 -8.848 5.500 517 HA PRO 80 HA PRO 80 0.375 -9.899 8.628 518 HB2 PRO 80 HB2 PRO 80 -0.216 -9.550 11.249 519 HB3 PRO 80 HB1 PRO 80 0.904 -8.499 10.375 520 HG2 PRO 80 HG2 PRO 80 -1.987 -8.056 11.028 521 HG3 PRO 80 HG1 PRO 80 -0.624 -6.928 11.169 522 HD2 PRO 80 HD2 PRO 80 -2.339 -6.857 9.085 523 HD3 PRO 80 HD1 PRO 80 -0.621 -6.453 8.910 524 H TRP 81 HN TRP 81 -0.021 -11.999 8.999 525 HA TRP 81 HA TRP 81 -2.618 -13.093 8.839 526 HB2 TRP 81 HB2 TRP 81 -0.590 -14.786 10.145 527 HB3 TRP 81 HB1 TRP 81 -1.606 -15.121 8.752 528 HD1 TRP 81 HD1 TRP 81 1.809 -13.672 9.697 529 HE1 TRP 81 HE1 TRP 81 3.262 -13.593 7.573 530 HE3 TRP 81 HE3 TRP 81 -1.739 -14.916 6.272 531 HZ2 TRP 81 HZ2 TRP 81 2.933 -14.016 4.807 532 HZ3 TRP 81 HZ3 TRP 81 -1.100 -15.070 3.893 533 HH2 TRP 81 HH2 TRP 81 1.194 -14.624 3.177 534 H ASN 82 HN ASN 82 -0.843 -11.877 11.472 535 HA ASN 82 HA ASN 82 -1.358 -11.614 13.684 536 HB2 ASN 82 HB2 ASN 82 -3.913 -13.088 12.981 537 HB3 ASN 82 HB1 ASN 82 -3.575 -12.340 14.536 538 HD21 ASN 82 HD21 ASN 82 -5.490 -11.102 14.180 539 HD22 ASN 82 HD22 ASN 82 -5.439 -9.695 13.179 540 H HIS 83 HN HIS 83 0.019 -13.876 12.412 541 HA HIS 83 HA HIS 83 -0.477 -16.067 14.286 542 HB2 HIS 83 HB2 HIS 83 1.215 -15.931 11.775 543 HB3 HIS 83 HB1 HIS 83 1.008 -17.368 12.776 544 HD1 HIS 83 HD1 HIS 83 0.111 -16.993 9.720 545 HD2 HIS 83 HD2 HIS 83 -2.341 -16.882 13.069 546 HE1 HIS 83 HE1 HIS 83 -2.200 -17.516 8.880 547 HE2 HIS 83 HE2 HIS 83 -3.647 -17.551 10.941 Start of MODEL 23 1 H1 SER 1 HT1 SER 1 18.953 -1.398 -12.147 2 H2 SER 1 HT2 SER 1 18.013 -0.090 -12.742 3 H3 SER 1 HT3 SER 1 17.332 -1.662 -12.640 4 HA SER 1 HA SER 1 17.785 -1.532 -10.201 5 HB2 SER 1 HB2 SER 1 19.199 0.656 -10.846 6 HB3 SER 1 HB1 SER 1 17.645 1.425 -10.526 7 HG SER 1 HG SER 1 18.482 1.357 -8.558 8 HA PRO 2 HA PRO 2 13.364 -1.335 -11.556 9 HB2 PRO 2 HB2 PRO 2 13.284 -2.852 -8.986 10 HB3 PRO 2 HB1 PRO 2 12.435 -3.162 -10.504 11 HG2 PRO 2 HG2 PRO 2 14.564 -4.609 -9.814 12 HG3 PRO 2 HG1 PRO 2 14.288 -4.133 -11.499 13 HD2 PRO 2 HD2 PRO 2 16.248 -3.072 -9.527 14 HD3 PRO 2 HD1 PRO 2 16.385 -3.222 -11.290 15 HA PRO 3 HA PRO 3 12.402 0.784 -7.342 16 HB2 PRO 3 HB2 PRO 3 14.847 0.956 -5.800 17 HB3 PRO 3 HB1 PRO 3 13.336 0.149 -5.381 18 HG2 PRO 3 HG2 PRO 3 15.657 -1.184 -5.905 19 HG3 PRO 3 HG1 PRO 3 14.046 -1.875 -6.173 20 HD2 PRO 3 HD2 PRO 3 15.931 -0.634 -8.145 21 HD3 PRO 3 HD1 PRO 3 14.930 -2.093 -8.308 22 H VAL 4 HN VAL 4 12.368 2.515 -8.893 23 HA VAL 4 HA VAL 4 14.592 4.423 -8.557 24 HB VAL 4 HB VAL 4 13.570 5.300 -10.849 25 HG11 VAL 4 HG11 VAL 4 15.874 4.779 -10.618 26 HG12 VAL 4 HG12 VAL 4 15.285 3.874 -12.012 27 HG13 VAL 4 HG13 VAL 4 15.537 3.054 -10.472 28 HG21 VAL 4 HG21 VAL 4 12.746 3.612 -12.277 29 HG22 VAL 4 HG22 VAL 4 11.847 3.429 -10.770 30 HG23 VAL 4 HG23 VAL 4 13.176 2.332 -11.142 31 H CYS 5 HN CYS 5 13.959 6.025 -7.248 32 HA CYS 5 HA CYS 5 11.179 6.826 -7.090 33 HB2 CYS 5 HB2 CYS 5 12.192 6.950 -4.992 34 HB3 CYS 5 HB1 CYS 5 13.701 7.573 -5.638 35 H GLY 6 HN GLY 6 10.483 7.880 -8.818 36 HA2 GLY 6 HA2 GLY 6 10.269 10.122 -9.779 37 HA3 GLY 6 HA1 GLY 6 12.030 10.212 -9.761 38 H ASN 7 HN ASN 7 10.329 7.324 -10.580 39 HA ASN 7 HA ASN 7 10.948 7.664 -13.432 40 HB2 ASN 7 HB2 ASN 7 11.724 5.508 -11.526 41 HB3 ASN 7 HB1 ASN 7 11.209 4.997 -13.133 42 HD21 ASN 7 HD21 ASN 7 13.280 7.469 -11.648 43 HD22 ASN 7 HD22 ASN 7 14.579 7.301 -12.775 44 H LYS 8 HN LYS 8 8.587 7.619 -11.333 45 HA LYS 8 HA LYS 8 6.361 7.266 -11.490 46 HB2 LYS 8 HB2 LYS 8 6.921 7.475 -14.057 47 HB3 LYS 8 HB1 LYS 8 6.629 5.742 -14.052 48 HG2 LYS 8 HG2 LYS 8 4.436 6.544 -12.754 49 HG3 LYS 8 HG1 LYS 8 4.741 7.986 -13.724 50 HD2 LYS 8 HD2 LYS 8 3.546 6.869 -15.279 51 HD3 LYS 8 HD1 LYS 8 5.087 6.068 -15.590 52 HE2 LYS 8 HE2 LYS 8 3.712 4.250 -15.351 53 HE3 LYS 8 HE1 LYS 8 4.268 4.453 -13.691 54 HZ1 LYS 8 HZ1 LYS 8 2.128 5.996 -13.638 55 HZ2 LYS 8 HZ2 LYS 8 2.060 4.340 -13.303 56 HZ3 LYS 8 HZ3 LYS 8 1.629 4.910 -14.835 57 H ILE 9 HN ILE 9 8.506 5.304 -10.591 58 HA ILE 9 HA ILE 9 6.838 2.884 -10.608 59 HB ILE 9 HB ILE 9 9.498 3.133 -11.355 60 HG12 ILE 9 HG12 ILE 9 8.249 1.332 -12.188 61 HG13 ILE 9 HG11 ILE 9 9.457 0.574 -11.156 62 HG21 ILE 9 HG21 ILE 9 10.169 3.366 -9.013 63 HG22 ILE 9 HG22 ILE 9 10.814 1.906 -9.762 64 HG23 ILE 9 HG23 ILE 9 9.438 1.798 -8.671 65 HD11 ILE 9 HD11 ILE 9 7.472 0.873 -9.381 66 HD12 ILE 9 HD12 ILE 9 7.671 -0.555 -10.397 67 HD13 ILE 9 HD13 ILE 9 6.533 0.709 -10.866 68 H LEU 10 HN LEU 10 6.065 2.158 -8.739 69 HA LEU 10 HA LEU 10 6.828 3.546 -6.283 70 HB2 LEU 10 HB2 LEU 10 4.942 2.011 -5.354 71 HB3 LEU 10 HB1 LEU 10 4.513 3.400 -6.334 72 HG LEU 10 HG LEU 10 4.861 0.786 -7.715 73 HD11 LEU 10 HD11 LEU 10 3.544 -0.008 -5.948 74 HD12 LEU 10 HD12 LEU 10 2.393 0.375 -7.228 75 HD13 LEU 10 HD13 LEU 10 2.599 1.479 -5.869 76 HD21 LEU 10 HD21 LEU 10 3.712 1.789 -9.358 77 HD22 LEU 10 HD22 LEU 10 4.110 3.282 -8.508 78 HD23 LEU 10 HD23 LEU 10 2.549 2.505 -8.243 79 H GLU 11 HN GLU 11 8.933 2.287 -7.028 80 HA GLU 11 HA GLU 11 8.967 -0.258 -5.548 81 HB2 GLU 11 HB2 GLU 11 9.266 -0.614 -7.955 82 HB3 GLU 11 HB1 GLU 11 10.628 0.496 -7.955 83 HG2 GLU 11 HG2 GLU 11 11.700 -1.520 -7.876 84 HG3 GLU 11 HG1 GLU 11 11.590 -1.130 -6.160 85 H GLN 12 HN GLN 12 10.859 2.622 -6.469 86 HA GLN 12 HA GLN 12 13.108 2.051 -4.863 87 HB2 GLN 12 HB2 GLN 12 13.082 3.819 -6.572 88 HB3 GLN 12 HB1 GLN 12 11.987 4.762 -5.579 89 HG2 GLN 12 HG2 GLN 12 13.752 5.717 -4.655 90 HG3 GLN 12 HG1 GLN 12 14.144 4.164 -3.920 91 HE21 GLN 12 HE21 GLN 12 15.965 3.177 -4.501 92 HE22 GLN 12 HE22 GLN 12 16.997 3.667 -5.796 93 H GLY 13 HN GLY 13 11.463 1.161 -3.062 94 HA2 GLY 13 HA2 GLY 13 10.477 1.424 -0.982 95 HA3 GLY 13 HA1 GLY 13 11.967 2.302 -0.679 96 H GLU 14 HN GLU 14 9.485 3.372 -2.912 97 HA GLU 14 HA GLU 14 9.149 5.782 -1.297 98 HB2 GLU 14 HB2 GLU 14 8.298 5.182 -4.132 99 HB3 GLU 14 HB1 GLU 14 8.160 6.741 -3.339 100 HG2 GLU 14 HG2 GLU 14 10.612 5.309 -4.261 101 HG3 GLU 14 HG1 GLU 14 10.067 6.935 -4.643 102 H ASP 15 HN ASP 15 7.028 3.686 -3.240 103 HA ASP 15 HA ASP 15 5.037 2.673 -2.637 104 HB2 ASP 15 HB2 ASP 15 4.841 4.514 -0.255 105 HB3 ASP 15 HB1 ASP 15 3.966 3.012 -0.538 106 H CYS 16 HN CYS 16 5.668 5.515 -3.836 107 HA CYS 16 HA CYS 16 3.307 6.000 -5.086 108 HB2 CYS 16 HB2 CYS 16 3.216 6.965 -2.334 109 HB3 CYS 16 HB1 CYS 16 2.881 8.231 -3.510 110 H ASP 17 HN ASP 17 4.900 6.444 -6.628 111 HA ASP 17 HA ASP 17 5.887 9.198 -6.488 112 HB2 ASP 17 HB2 ASP 17 7.842 8.052 -5.892 113 HB3 ASP 17 HB1 ASP 17 7.506 6.716 -6.987 114 H CYS 18 HN CYS 18 6.530 10.062 -8.565 115 HA CYS 18 HA CYS 18 5.183 8.783 -10.848 116 HB2 CYS 18 HB2 CYS 18 5.172 11.707 -10.085 117 HB3 CYS 18 HB1 CYS 18 4.637 11.097 -11.643 118 H GLY 19 HN GLY 19 6.198 9.056 -12.866 119 HA2 GLY 19 HA2 GLY 19 8.948 9.046 -12.970 120 HA3 GLY 19 HA1 GLY 19 7.922 9.449 -14.339 121 H SER 20 HN SER 20 6.801 11.820 -13.533 122 HA SER 20 HA SER 20 9.043 13.592 -12.897 123 HB2 SER 20 HB2 SER 20 8.498 13.272 -15.468 124 HB3 SER 20 HB1 SER 20 7.204 14.414 -15.106 125 HG SER 20 HG SER 20 8.899 15.674 -15.627 126 HA PRO 21 HA PRO 21 6.075 15.276 -10.021 127 HB2 PRO 21 HB2 PRO 21 7.623 17.762 -10.624 128 HB3 PRO 21 HB1 PRO 21 7.144 17.087 -9.062 129 HG2 PRO 21 HG2 PRO 21 9.642 16.828 -9.941 130 HG3 PRO 21 HG1 PRO 21 8.839 15.507 -9.073 131 HD2 PRO 21 HD2 PRO 21 9.453 15.773 -11.972 132 HD3 PRO 21 HD1 PRO 21 9.361 14.316 -10.963 133 H ALA 22 HN ALA 22 6.804 16.707 -13.140 134 HA ALA 22 HA ALA 22 4.432 18.376 -13.110 135 HB1 ALA 22 HB1 ALA 22 6.533 19.149 -14.161 136 HB2 ALA 22 HB2 ALA 22 5.163 19.156 -15.272 137 HB3 ALA 22 HB3 ALA 22 6.368 17.872 -15.366 138 H ASN 23 HN ASN 23 5.431 15.272 -14.298 139 HA ASN 23 HA ASN 23 2.912 15.000 -15.790 140 HB2 ASN 23 HB2 ASN 23 5.592 13.681 -16.047 141 HB3 ASN 23 HB1 ASN 23 4.153 12.854 -16.633 142 HD21 ASN 23 HD21 ASN 23 6.409 13.832 -18.141 143 HD22 ASN 23 HD22 ASN 23 5.785 14.969 -19.282 144 H CYS 24 HN CYS 24 3.421 14.749 -12.827 145 HA CYS 24 HA CYS 24 3.214 12.030 -12.111 146 HB2 CYS 24 HB2 CYS 24 3.958 13.827 -10.568 147 HB3 CYS 24 HB1 CYS 24 2.312 14.448 -10.542 148 H GLN 25 HN GLN 25 1.634 11.159 -13.454 149 HA GLN 25 HA GLN 25 -1.084 12.133 -13.313 150 HB2 GLN 25 HB2 GLN 25 -1.602 10.337 -14.877 151 HB3 GLN 25 HB1 GLN 25 -0.191 11.236 -15.418 152 HG2 GLN 25 HG2 GLN 25 1.101 9.350 -14.126 153 HG3 GLN 25 HG1 GLN 25 -0.393 8.454 -14.395 154 HE21 GLN 25 HE21 GLN 25 2.399 9.883 -15.857 155 HE22 GLN 25 HE22 GLN 25 2.188 9.196 -17.428 156 H ASP 26 HN ASP 26 -0.231 11.464 -10.780 157 HA ASP 26 HA ASP 26 -2.042 9.263 -10.154 158 HB2 ASP 26 HB2 ASP 26 0.536 8.644 -10.199 159 HB3 ASP 26 HB1 ASP 26 0.516 9.413 -8.615 160 H ARG 27 HN ARG 27 -3.534 10.636 -9.279 161 HA ARG 27 HA ARG 27 -2.936 12.822 -7.611 162 HB2 ARG 27 HB2 ARG 27 -5.290 12.946 -7.190 163 HB3 ARG 27 HB1 ARG 27 -5.057 12.491 -8.872 164 HG2 ARG 27 HG2 ARG 27 -5.465 10.127 -8.231 165 HG3 ARG 27 HG1 ARG 27 -5.845 10.681 -6.599 166 HD2 ARG 27 HD2 ARG 27 -7.623 12.124 -7.569 167 HD3 ARG 27 HD1 ARG 27 -7.292 11.402 -9.144 168 HE ARG 27 HE ARG 27 -8.757 10.229 -6.972 169 HH11 ARG 27 HH11 ARG 27 -6.847 9.553 -9.814 170 HH12 ARG 27 HH12 ARG 27 -7.549 7.991 -10.067 171 HH21 ARG 27 HH21 ARG 27 -9.681 8.174 -7.304 172 HH22 ARG 27 HH22 ARG 27 -9.158 7.207 -8.643 173 H CYS 28 HN CYS 28 -2.926 9.474 -6.976 174 HA CYS 28 HA CYS 28 -3.267 9.883 -4.096 175 HB2 CYS 28 HB2 CYS 28 -2.921 7.247 -5.524 176 HB3 CYS 28 HB1 CYS 28 -3.548 7.521 -3.902 177 H CYS 29 HN CYS 29 -0.810 9.845 -6.348 178 HA CYS 29 HA CYS 29 1.170 9.264 -4.261 179 HB2 CYS 29 HB2 CYS 29 1.281 8.252 -7.109 180 HB3 CYS 29 HB1 CYS 29 2.576 8.099 -5.930 181 H ASN 30 HN ASN 30 2.808 10.712 -4.156 182 HA ASN 30 HA ASN 30 2.919 12.738 -6.298 183 HB2 ASN 30 HB2 ASN 30 2.178 13.661 -4.169 184 HB3 ASN 30 HB1 ASN 30 3.604 13.015 -3.367 185 HD21 ASN 30 HD21 ASN 30 4.727 14.743 -2.779 186 HD22 ASN 30 HD22 ASN 30 5.212 16.028 -3.826 187 H ALA 31 HN ALA 31 4.723 13.014 -7.406 188 HA ALA 31 HA ALA 31 6.969 11.288 -7.023 189 HB1 ALA 31 HB1 ALA 31 7.798 13.190 -8.821 190 HB2 ALA 31 HB2 ALA 31 6.047 13.201 -9.027 191 HB3 ALA 31 HB3 ALA 31 6.948 11.702 -9.226 192 H ALA 32 HN ALA 32 6.388 14.753 -6.622 193 HA ALA 32 HA ALA 32 8.930 15.628 -5.996 194 HB1 ALA 32 HB1 ALA 32 7.901 17.569 -5.620 195 HB2 ALA 32 HB2 ALA 32 6.917 16.887 -4.324 196 HB3 ALA 32 HB3 ALA 32 6.399 16.728 -6.002 197 H THR 33 HN THR 33 6.884 13.567 -4.159 198 HA THR 33 HA THR 33 8.671 13.845 -1.833 199 HB THR 33 HB THR 33 6.245 14.512 -1.499 200 HG1 THR 33 HG1 THR 33 6.916 14.058 0.429 201 HG21 THR 33 HG21 THR 33 5.438 12.475 -2.899 202 HG22 THR 33 HG22 THR 33 4.519 12.993 -1.486 203 HG23 THR 33 HG23 THR 33 5.598 11.602 -1.376 204 H CYS 34 HN CYS 34 7.220 11.750 -4.171 205 HA CYS 34 HA CYS 34 7.482 9.557 -4.655 206 HB2 CYS 34 HB2 CYS 34 9.993 10.285 -3.275 207 HB3 CYS 34 HB1 CYS 34 9.619 8.568 -3.285 208 H LYS 35 HN LYS 35 5.661 10.221 -2.802 209 HA LYS 35 HA LYS 35 5.367 7.795 -1.296 210 HB2 LYS 35 HB2 LYS 35 5.532 10.407 0.223 211 HB3 LYS 35 HB1 LYS 35 5.154 8.832 0.904 212 HG2 LYS 35 HG2 LYS 35 7.429 8.074 0.190 213 HG3 LYS 35 HG1 LYS 35 7.777 9.749 -0.243 214 HD2 LYS 35 HD2 LYS 35 8.552 9.834 1.880 215 HD3 LYS 35 HD1 LYS 35 6.849 10.108 2.253 216 HE2 LYS 35 HE2 LYS 35 6.832 7.451 2.280 217 HE3 LYS 35 HE1 LYS 35 8.532 7.698 2.676 218 HZ1 LYS 35 HZ1 LYS 35 7.399 9.416 4.347 219 HZ2 LYS 35 HZ2 LYS 35 7.703 7.803 4.753 220 HZ3 LYS 35 HZ3 LYS 35 6.157 8.271 4.252 221 H LEU 36 HN LEU 36 3.258 7.931 0.021 222 HA LEU 36 HA LEU 36 1.143 8.520 -1.680 223 HB2 LEU 36 HB2 LEU 36 1.381 7.912 1.226 224 HB3 LEU 36 HB1 LEU 36 -0.157 8.504 0.628 225 HG LEU 36 HG LEU 36 1.173 6.163 -0.690 226 HD11 LEU 36 HD11 LEU 36 1.148 5.313 1.457 227 HD12 LEU 36 HD12 LEU 36 -0.431 4.822 0.844 228 HD13 LEU 36 HD13 LEU 36 -0.295 6.219 1.911 229 HD21 LEU 36 HD21 LEU 36 -0.918 7.511 -1.513 230 HD22 LEU 36 HD22 LEU 36 -1.757 6.546 -0.298 231 HD23 LEU 36 HD23 LEU 36 -0.889 5.750 -1.611 232 H THR 37 HN THR 37 -0.252 10.212 -1.916 233 HA THR 37 HA THR 37 0.669 12.775 -0.904 234 HB THR 37 HB THR 37 -0.740 13.773 -2.529 235 HG1 THR 37 HG1 THR 37 -2.033 11.258 -2.684 236 HG21 THR 37 HG21 THR 37 1.140 11.980 -3.330 237 HG22 THR 37 HG22 THR 37 0.276 13.093 -4.390 238 HG23 THR 37 HG23 THR 37 -0.287 11.432 -4.207 239 HA PRO 38 HA PRO 38 -2.217 13.560 2.316 240 HB2 PRO 38 HB2 PRO 38 -3.267 15.869 0.754 241 HB3 PRO 38 HB1 PRO 38 -2.655 15.816 2.411 242 HG2 PRO 38 HG2 PRO 38 -1.179 16.853 0.454 243 HG3 PRO 38 HG1 PRO 38 -0.437 15.876 1.734 244 HD2 PRO 38 HD2 PRO 38 -1.056 15.144 -1.093 245 HD3 PRO 38 HD1 PRO 38 0.320 14.667 -0.077 246 H GLY 39 HN GLY 39 -3.883 12.200 2.541 247 HA2 GLY 39 HA2 GLY 39 -6.313 12.033 2.382 248 HA3 GLY 39 HA1 GLY 39 -6.169 12.509 0.696 249 H SER 40 HN SER 40 -4.027 10.843 -0.045 250 HA SER 40 HA SER 40 -5.439 8.294 -0.168 251 HB2 SER 40 HB2 SER 40 -3.115 9.428 -1.730 252 HB3 SER 40 HB1 SER 40 -3.670 7.764 -1.912 253 HG SER 40 HG SER 40 -4.893 10.151 -2.678 254 H GLN 41 HN GLN 41 -4.890 6.625 1.060 255 HA GLN 41 HA GLN 41 -2.216 6.615 2.296 256 HB2 GLN 41 HB2 GLN 41 -4.899 5.735 3.305 257 HB3 GLN 41 HB1 GLN 41 -3.433 5.024 3.965 258 HG2 GLN 41 HG2 GLN 41 -4.192 7.935 3.985 259 HG3 GLN 41 HG1 GLN 41 -4.161 6.836 5.364 260 HE21 GLN 41 HE21 GLN 41 -1.868 5.593 5.301 261 HE22 GLN 41 HE22 GLN 41 -0.525 6.681 5.320 262 H CYS 42 HN CYS 42 -3.380 5.384 -0.304 263 HA CYS 42 HA CYS 42 -1.917 2.903 -0.055 264 HB2 CYS 42 HB2 CYS 42 -3.600 1.456 0.022 265 HB3 CYS 42 HB1 CYS 42 -4.644 2.810 0.418 266 H ASN 43 HN ASN 43 -1.728 1.783 -2.109 267 HA ASN 43 HA ASN 43 -2.463 3.027 -4.561 268 HB2 ASN 43 HB2 ASN 43 -0.688 4.576 -4.051 269 HB3 ASN 43 HB1 ASN 43 0.410 3.261 -3.635 270 HD21 ASN 43 HD21 ASN 43 1.956 3.791 -5.125 271 HD22 ASN 43 HD22 ASN 43 1.723 3.636 -6.829 272 H TYR 44 HN TYR 44 -0.411 0.812 -2.797 273 HA TYR 44 HA TYR 44 -1.110 -1.333 -4.607 274 HB2 TYR 44 HB2 TYR 44 1.009 -1.893 -5.339 275 HB3 TYR 44 HB1 TYR 44 1.145 -0.140 -5.300 276 HD1 TYR 44 HD1 TYR 44 1.905 -3.215 -3.374 277 HD2 TYR 44 HD2 TYR 44 2.783 0.903 -3.970 278 HE1 TYR 44 HE1 TYR 44 3.832 -3.419 -1.873 279 HE2 TYR 44 HE2 TYR 44 4.722 0.714 -2.470 280 HH TYR 44 HH TYR 44 5.338 -0.935 -0.458 281 H GLY 45 HN GLY 45 -1.042 -3.358 -3.586 282 HA2 GLY 45 HA2 GLY 45 -0.119 -4.683 -1.697 283 HA3 GLY 45 HA1 GLY 45 -0.388 -3.259 -0.704 284 H GLU 46 HN GLU 46 -1.417 -5.828 -0.121 285 HA GLU 46 HA GLU 46 -4.032 -6.291 -0.961 286 HB2 GLU 46 HB2 GLU 46 -2.517 -6.974 1.537 287 HB3 GLU 46 HB1 GLU 46 -4.205 -7.429 1.348 288 HG2 GLU 46 HG2 GLU 46 -2.609 -9.223 0.751 289 HG3 GLU 46 HG1 GLU 46 -3.703 -8.779 -0.558 290 H CYS 47 HN CYS 47 -2.845 -4.457 1.831 291 HA CYS 47 HA CYS 47 -5.391 -3.819 2.866 292 HB2 CYS 47 HB2 CYS 47 -2.605 -2.923 3.313 293 HB3 CYS 47 HB1 CYS 47 -3.873 -1.824 3.839 294 H CYS 48 HN CYS 48 -3.533 -2.452 0.270 295 HA CYS 48 HA CYS 48 -4.705 0.113 0.262 296 HB2 CYS 48 HB2 CYS 48 -2.666 -0.142 -0.910 297 HB3 CYS 48 HB1 CYS 48 -3.273 -1.516 -1.826 298 H ASP 49 HN ASP 49 -6.632 0.772 -0.335 299 HA ASP 49 HA ASP 49 -8.099 -0.541 -2.452 300 HB2 ASP 49 HB2 ASP 49 -8.732 -1.792 -0.375 301 HB3 ASP 49 HB1 ASP 49 -9.350 -0.284 0.292 302 H GLN 50 HN GLN 50 -8.562 1.135 -3.709 303 HA GLN 50 HA GLN 50 -9.332 3.149 -4.433 304 HB2 GLN 50 HB2 GLN 50 -10.828 2.749 -1.891 305 HB3 GLN 50 HB1 GLN 50 -10.847 4.360 -2.595 306 HG2 GLN 50 HG2 GLN 50 -11.391 2.211 -4.503 307 HG3 GLN 50 HG1 GLN 50 -12.577 2.355 -3.207 308 HE21 GLN 50 HE21 GLN 50 -10.673 4.886 -4.759 309 HE22 GLN 50 HE22 GLN 50 -12.021 5.764 -5.390 310 H CYS 51 HN CYS 51 -6.780 3.130 -3.481 311 HA CYS 51 HA CYS 51 -5.081 4.477 -2.794 312 HB2 CYS 51 HB2 CYS 51 -7.172 6.640 -3.085 313 HB3 CYS 51 HB1 CYS 51 -5.444 6.919 -2.888 314 H ARG 52 HN ARG 52 -7.082 3.338 -0.843 315 HA ARG 52 HA ARG 52 -6.080 4.778 1.482 316 HB2 ARG 52 HB2 ARG 52 -8.921 4.657 0.655 317 HB3 ARG 52 HB1 ARG 52 -8.601 4.334 2.353 318 HG2 ARG 52 HG2 ARG 52 -7.102 6.560 1.952 319 HG3 ARG 52 HG1 ARG 52 -8.448 6.841 0.845 320 HD2 ARG 52 HD2 ARG 52 -9.939 7.103 2.518 321 HD3 ARG 52 HD1 ARG 52 -9.194 5.854 3.515 322 HE ARG 52 HE ARG 52 -7.937 7.468 4.550 323 HH11 ARG 52 HH11 ARG 52 -9.380 8.817 1.673 324 HH12 ARG 52 HH12 ARG 52 -8.911 10.441 2.048 325 HH21 ARG 52 HH21 ARG 52 -7.320 9.604 5.045 326 HH22 ARG 52 HH22 ARG 52 -7.741 10.888 3.962 327 H PHE 53 HN PHE 53 -5.453 3.399 3.042 328 HA PHE 53 HA PHE 53 -5.405 0.641 2.623 329 HB2 PHE 53 HB2 PHE 53 -4.990 2.287 5.112 330 HB3 PHE 53 HB1 PHE 53 -4.819 0.534 5.109 331 HD1 PHE 53 HD2 PHE 53 -3.597 0.248 2.372 332 HD2 PHE 53 HD1 PHE 53 -2.782 2.913 5.586 333 HE1 PHE 53 HE2 PHE 53 -1.290 0.474 1.585 334 HE2 PHE 53 HE1 PHE 53 -0.460 3.151 4.800 335 HZ PHE 53 HZ PHE 53 0.291 1.929 2.795 336 H LYS 54 HN LYS 54 -6.440 -1.082 3.656 337 HA LYS 54 HA LYS 54 -9.248 -0.702 4.006 338 HB2 LYS 54 HB2 LYS 54 -7.364 -2.994 4.045 339 HB3 LYS 54 HB1 LYS 54 -8.864 -3.203 4.939 340 HG2 LYS 54 HG2 LYS 54 -10.089 -3.392 3.079 341 HG3 LYS 54 HG1 LYS 54 -9.225 -2.090 2.260 342 HD2 LYS 54 HD2 LYS 54 -7.378 -3.620 1.775 343 HD3 LYS 54 HD1 LYS 54 -8.235 -4.921 2.604 344 HE2 LYS 54 HE2 LYS 54 -9.742 -3.540 0.482 345 HE3 LYS 54 HE1 LYS 54 -8.355 -4.485 -0.058 346 HZ1 LYS 54 HZ1 LYS 54 -10.760 -5.525 0.302 347 HZ2 LYS 54 HZ2 LYS 54 -10.132 -5.772 1.853 348 HZ3 LYS 54 HZ3 LYS 54 -9.338 -6.419 0.508 349 H LYS 55 HN LYS 55 -10.335 -0.234 5.820 350 HA LYS 55 HA LYS 55 -9.176 0.597 8.161 351 HB2 LYS 55 HB2 LYS 55 -11.527 1.011 7.581 352 HB3 LYS 55 HB1 LYS 55 -11.897 -0.686 7.855 353 HG2 LYS 55 HG2 LYS 55 -12.607 0.392 9.795 354 HG3 LYS 55 HG1 LYS 55 -11.048 -0.312 10.231 355 HD2 LYS 55 HD2 LYS 55 -9.969 1.751 10.199 356 HD3 LYS 55 HD1 LYS 55 -11.224 2.499 9.210 357 HE2 LYS 55 HE2 LYS 55 -11.839 1.494 11.963 358 HE3 LYS 55 HE1 LYS 55 -11.095 3.075 11.729 359 HZ1 LYS 55 HZ1 LYS 55 -12.977 3.934 10.867 360 HZ2 LYS 55 HZ2 LYS 55 -13.714 2.701 11.760 361 HZ3 LYS 55 HZ3 LYS 55 -13.439 2.495 10.104 362 H ALA 56 HN ALA 56 -8.050 -0.396 9.702 363 HA ALA 56 HA ALA 56 -7.242 -2.936 9.865 364 HB1 ALA 56 HB1 ALA 56 -7.403 -2.622 12.467 365 HB2 ALA 56 HB2 ALA 56 -7.832 -0.970 12.019 366 HB3 ALA 56 HB3 ALA 56 -6.289 -1.652 11.502 367 H GLY 57 HN GLY 57 -8.075 -4.891 10.146 368 HA2 GLY 57 HA2 GLY 57 -9.596 -6.317 11.479 369 HA3 GLY 57 HA1 GLY 57 -10.814 -5.065 11.259 370 H THR 58 HN THR 58 -9.470 -4.878 8.417 371 HA THR 58 HA THR 58 -11.430 -6.533 7.125 372 HB THR 58 HB THR 58 -9.156 -4.856 6.031 373 HG1 THR 58 HG1 THR 58 -10.531 -3.344 6.463 374 HG21 THR 58 HG21 THR 58 -9.593 -5.480 3.958 375 HG22 THR 58 HG22 THR 58 -11.335 -5.345 4.205 376 HG23 THR 58 HG23 THR 58 -10.496 -6.833 4.645 377 H VAL 59 HN VAL 59 -11.090 -8.694 7.186 378 HA VAL 59 HA VAL 59 -8.623 -9.961 7.420 379 HB VAL 59 HB VAL 59 -10.734 -11.095 7.942 380 HG11 VAL 59 HG11 VAL 59 -11.246 -11.571 5.041 381 HG12 VAL 59 HG12 VAL 59 -11.825 -10.087 5.798 382 HG13 VAL 59 HG13 VAL 59 -12.358 -11.653 6.409 383 HG21 VAL 59 HG21 VAL 59 -9.390 -12.865 7.761 384 HG22 VAL 59 HG22 VAL 59 -8.611 -12.226 6.314 385 HG23 VAL 59 HG23 VAL 59 -10.119 -13.129 6.177 386 H CYS 60 HN CYS 60 -7.027 -10.209 6.053 387 HA CYS 60 HA CYS 60 -7.557 -9.942 3.168 388 HB2 CYS 60 HB2 CYS 60 -6.046 -8.252 3.699 389 HB3 CYS 60 HB1 CYS 60 -5.234 -9.227 4.912 390 H ARG 61 HN ARG 61 -6.206 -11.955 5.652 391 HA ARG 61 HA ARG 61 -6.116 -14.206 3.830 392 HB2 ARG 61 HB2 ARG 61 -3.608 -13.708 5.401 393 HB3 ARG 61 HB1 ARG 61 -3.856 -14.767 4.023 394 HG2 ARG 61 HG2 ARG 61 -4.184 -12.718 2.630 395 HG3 ARG 61 HG1 ARG 61 -3.664 -11.776 4.026 396 HD2 ARG 61 HD2 ARG 61 -2.022 -13.990 2.820 397 HD3 ARG 61 HD1 ARG 61 -1.878 -12.303 2.330 398 HE ARG 61 HE ARG 61 -1.542 -12.930 5.161 399 HH11 ARG 61 HH11 ARG 61 -0.056 -12.104 2.107 400 HH12 ARG 61 HH12 ARG 61 1.427 -11.587 2.834 401 HH21 ARG 61 HH21 ARG 61 0.405 -12.254 6.108 402 HH22 ARG 61 HH22 ARG 61 1.690 -11.673 5.102 403 H ILE 62 HN ILE 62 -5.263 -16.196 5.074 404 HA ILE 62 HA ILE 62 -5.713 -16.216 7.918 405 HB ILE 62 HB ILE 62 -7.525 -18.029 6.349 406 HG12 ILE 62 HG12 ILE 62 -9.386 -16.401 6.969 407 HG13 ILE 62 HG11 ILE 62 -8.123 -15.209 7.244 408 HG21 ILE 62 HG21 ILE 62 -8.243 -17.006 9.015 409 HG22 ILE 62 HG22 ILE 62 -6.815 -18.039 8.941 410 HG23 ILE 62 HG23 ILE 62 -8.365 -18.634 8.348 411 HD11 ILE 62 HD11 ILE 62 -7.596 -16.293 4.730 412 HD12 ILE 62 HD12 ILE 62 -8.246 -14.696 5.102 413 HD13 ILE 62 HD13 ILE 62 -9.341 -16.045 4.792 414 H ALA 63 HN ALA 63 -4.328 -17.652 8.729 415 HA ALA 63 HA ALA 63 -2.546 -19.162 7.329 416 HB1 ALA 63 HB1 ALA 63 -3.263 -18.892 10.041 417 HB2 ALA 63 HB2 ALA 63 -1.780 -19.566 9.366 418 HB3 ALA 63 HB3 ALA 63 -3.155 -20.619 9.699 419 H ARG 64 HN ARG 64 -5.202 -20.747 9.081 420 HA ARG 64 HA ARG 64 -6.282 -22.134 6.922 421 HB2 ARG 64 HB2 ARG 64 -3.774 -23.226 7.859 422 HB3 ARG 64 HB1 ARG 64 -5.069 -24.393 8.071 423 HG2 ARG 64 HG2 ARG 64 -4.117 -23.114 5.529 424 HG3 ARG 64 HG1 ARG 64 -4.143 -24.825 5.957 425 HD2 ARG 64 HD2 ARG 64 -6.715 -24.448 6.145 426 HD3 ARG 64 HD1 ARG 64 -6.392 -23.036 5.141 427 HE ARG 64 HE ARG 64 -5.144 -25.114 3.864 428 HH11 ARG 64 HH11 ARG 64 -8.406 -24.438 4.902 429 HH12 ARG 64 HH12 ARG 64 -9.135 -25.362 3.633 430 HH21 ARG 64 HH21 ARG 64 -6.101 -26.330 2.193 431 HH22 ARG 64 HH22 ARG 64 -7.827 -26.437 2.095 432 H GLY 65 HN GLY 65 -7.864 -21.185 8.535 433 HA2 GLY 65 HA2 GLY 65 -9.554 -22.913 9.609 434 HA3 GLY 65 HA1 GLY 65 -8.325 -22.885 10.865 435 H ASP 66 HN ASP 66 -8.582 -21.462 12.440 436 HA ASP 66 HA ASP 66 -9.497 -18.813 12.044 437 HB2 ASP 66 HB2 ASP 66 -11.587 -19.072 13.477 438 HB3 ASP 66 HB1 ASP 66 -11.693 -19.677 11.827 439 H TRP 67 HN TRP 67 -7.501 -18.604 13.176 440 HA TRP 67 HA TRP 67 -7.743 -19.047 16.081 441 HB2 TRP 67 HB2 TRP 67 -5.017 -18.711 15.459 442 HB3 TRP 67 HB1 TRP 67 -5.817 -20.194 15.960 443 HD1 TRP 67 HD1 TRP 67 -5.032 -18.294 12.669 444 HE1 TRP 67 HE1 TRP 67 -4.698 -20.042 10.819 445 HE3 TRP 67 HE3 TRP 67 -6.091 -22.509 15.341 446 HZ2 TRP 67 HZ2 TRP 67 -4.854 -22.839 10.526 447 HZ3 TRP 67 HZ3 TRP 67 -5.975 -24.691 14.203 448 HH2 TRP 67 HH2 TRP 67 -5.369 -24.851 11.842 449 H ASN 68 HN ASN 68 -5.665 -17.170 13.927 450 HA ASN 68 HA ASN 68 -6.254 -14.771 15.530 451 HB2 ASN 68 HB2 ASN 68 -3.810 -15.012 13.804 452 HB3 ASN 68 HB1 ASN 68 -4.071 -14.003 15.222 453 HD21 ASN 68 HD21 ASN 68 -3.621 -17.327 14.155 454 HD22 ASN 68 HD22 ASN 68 -2.915 -17.896 15.625 455 H ASP 69 HN ASP 69 -5.842 -16.100 12.310 456 HA ASP 69 HA ASP 69 -6.556 -15.426 10.262 457 HB2 ASP 69 HB2 ASP 69 -8.386 -13.947 12.097 458 HB3 ASP 69 HB1 ASP 69 -8.392 -13.534 10.386 459 H ASP 70 HN ASP 70 -5.870 -14.042 8.698 460 HA ASP 70 HA ASP 70 -4.057 -11.969 9.484 461 HB2 ASP 70 HB2 ASP 70 -3.857 -13.507 7.430 462 HB3 ASP 70 HB1 ASP 70 -5.045 -12.453 6.689 463 H TYR 71 HN TYR 71 -4.389 -9.810 9.560 464 HA TYR 71 HA TYR 71 -6.855 -8.767 8.388 465 HB2 TYR 71 HB2 TYR 71 -6.118 -8.746 11.281 466 HB3 TYR 71 HB1 TYR 71 -7.097 -7.443 10.611 467 HD1 TYR 71 HD1 TYR 71 -9.144 -8.155 9.241 468 HD2 TYR 71 HD2 TYR 71 -7.154 -10.697 11.990 469 HE1 TYR 71 HE1 TYR 71 -11.162 -9.532 9.392 470 HE2 TYR 71 HE2 TYR 71 -9.156 -12.104 12.154 471 HH TYR 71 HH TYR 71 -11.284 -12.505 10.384 472 H CYS 72 HN CYS 72 -6.905 -6.641 7.901 473 HA CYS 72 HA CYS 72 -4.421 -5.385 7.329 474 HB2 CYS 72 HB2 CYS 72 -6.580 -5.171 6.017 475 HB3 CYS 72 HB1 CYS 72 -7.164 -4.119 7.301 476 H THR 73 HN THR 73 -3.864 -3.170 8.077 477 HA THR 73 HA THR 73 -4.631 -2.800 10.898 478 HB THR 73 HB THR 73 -2.391 -1.889 11.290 479 HG1 THR 73 HG1 THR 73 -1.823 -2.648 8.620 480 HG21 THR 73 HG21 THR 73 -1.395 -4.250 10.022 481 HG22 THR 73 HG22 THR 73 -2.958 -4.584 10.768 482 HG23 THR 73 HG23 THR 73 -1.641 -3.920 11.736 483 H GLY 74 HN GLY 74 -4.625 -1.390 7.808 484 HA2 GLY 74 HA2 GLY 74 -5.484 0.628 7.107 485 HA3 GLY 74 HA1 GLY 74 -5.885 0.980 8.781 486 H LYS 75 HN LYS 75 -2.636 0.154 8.459 487 HA LYS 75 HA LYS 75 -1.857 2.986 8.236 488 HB2 LYS 75 HB2 LYS 75 -0.324 1.058 9.947 489 HB3 LYS 75 HB1 LYS 75 -0.362 2.813 10.020 490 HG2 LYS 75 HG2 LYS 75 -2.850 1.292 10.620 491 HG3 LYS 75 HG1 LYS 75 -1.568 1.361 11.829 492 HD2 LYS 75 HD2 LYS 75 -2.218 3.399 12.427 493 HD3 LYS 75 HD1 LYS 75 -1.971 3.981 10.780 494 HE2 LYS 75 HE2 LYS 75 -4.203 4.444 11.085 495 HE3 LYS 75 HE1 LYS 75 -4.283 2.846 10.344 496 HZ1 LYS 75 HZ1 LYS 75 -4.206 3.117 13.277 497 HZ2 LYS 75 HZ2 LYS 75 -4.831 1.855 12.339 498 HZ3 LYS 75 HZ3 LYS 75 -5.665 3.323 12.444 499 H SER 76 HN SER 76 -1.725 0.143 6.694 500 HA SER 76 HA SER 76 0.508 0.901 5.091 501 HB2 SER 76 HB2 SER 76 2.040 -0.835 5.573 502 HB3 SER 76 HB1 SER 76 1.552 -0.216 7.150 503 HG SER 76 HG SER 76 0.712 -2.086 7.596 504 H SER 77 HN SER 77 0.935 -0.760 3.363 505 HA SER 77 HA SER 77 -1.615 -1.790 2.425 506 HB2 SER 77 HB2 SER 77 0.689 -2.346 0.724 507 HB3 SER 77 HB1 SER 77 -0.786 -1.448 0.367 508 HG SER 77 HG SER 77 1.689 -0.533 1.070 509 H ASP 78 HN ASP 78 0.388 -3.021 4.548 510 HA ASP 78 HA ASP 78 0.513 -5.711 3.385 511 HB2 ASP 78 HB2 ASP 78 1.982 -4.383 5.652 512 HB3 ASP 78 HB1 ASP 78 1.945 -6.137 5.495 513 H CYS 79 HN CYS 79 -0.464 -7.446 4.351 514 HA CYS 79 HA CYS 79 -2.298 -6.827 6.577 515 HB2 CYS 79 HB2 CYS 79 -3.854 -8.449 5.632 516 HB3 CYS 79 HB1 CYS 79 -3.484 -7.194 4.456 517 HA PRO 80 HA PRO 80 0.475 -10.003 8.332 518 HB2 PRO 80 HB2 PRO 80 -0.059 -9.405 10.919 519 HB3 PRO 80 HB1 PRO 80 1.074 -8.469 9.938 520 HG2 PRO 80 HG2 PRO 80 -1.793 -7.886 10.588 521 HG3 PRO 80 HG1 PRO 80 -0.396 -6.792 10.616 522 HD2 PRO 80 HD2 PRO 80 -2.133 -6.844 8.553 523 HD3 PRO 80 HD1 PRO 80 -0.405 -6.516 8.323 524 H TRP 81 HN TRP 81 0.012 -12.051 8.867 525 HA TRP 81 HA TRP 81 -2.590 -13.099 8.815 526 HB2 TRP 81 HB2 TRP 81 -0.691 -14.697 10.380 527 HB3 TRP 81 HB1 TRP 81 -1.608 -15.129 8.945 528 HD1 TRP 81 HD1 TRP 81 1.767 -13.695 10.031 529 HE1 TRP 81 HE1 TRP 81 3.381 -13.816 8.030 530 HE3 TRP 81 HE3 TRP 81 -1.540 -15.129 6.428 531 HZ2 TRP 81 HZ2 TRP 81 3.257 -14.444 5.287 532 HZ3 TRP 81 HZ3 TRP 81 -0.716 -15.477 4.131 533 HH2 TRP 81 HH2 TRP 81 1.638 -15.138 3.573 534 H ASN 82 HN ASN 82 -0.783 -11.690 11.357 535 HA ASN 82 HA ASN 82 -1.448 -11.029 13.455 536 HB2 ASN 82 HB2 ASN 82 -3.883 -11.604 12.363 537 HB3 ASN 82 HB1 ASN 82 -3.808 -12.789 13.662 538 HD21 ASN 82 HD21 ASN 82 -2.264 -11.231 15.462 539 HD22 ASN 82 HD22 ASN 82 -3.267 -9.947 16.036 540 H HIS 83 HN HIS 83 0.129 -13.339 12.631 541 HA HIS 83 HA HIS 83 -0.324 -15.234 14.820 542 HB2 HIS 83 HB2 HIS 83 1.519 -15.445 12.424 543 HB3 HIS 83 HB1 HIS 83 1.195 -16.719 13.600 544 HD1 HIS 83 HD1 HIS 83 0.603 -16.916 10.498 545 HD2 HIS 83 HD2 HIS 83 -2.173 -16.047 13.462 546 HE1 HIS 83 HE1 HIS 83 -1.636 -17.505 9.519 547 HE2 HIS 83 HE2 HIS 83 -3.307 -16.905 11.303 Start of MODEL 24 1 H1 SER 1 HT1 SER 1 14.039 -3.738 -12.344 2 H2 SER 1 HT2 SER 1 13.452 -3.267 -13.886 3 H3 SER 1 HT3 SER 1 12.597 -2.820 -12.466 4 HA SER 1 HA SER 1 15.203 -1.861 -13.418 5 HB2 SER 1 HB2 SER 1 12.731 -0.330 -12.600 6 HB3 SER 1 HB1 SER 1 14.104 0.248 -13.543 7 HG SER 1 HG SER 1 11.967 -1.389 -14.317 8 HA PRO 2 HA PRO 2 16.485 -1.241 -9.240 9 HB2 PRO 2 HB2 PRO 2 17.968 1.014 -9.451 10 HB3 PRO 2 HB1 PRO 2 18.501 -0.540 -10.104 11 HG2 PRO 2 HG2 PRO 2 17.229 1.774 -11.516 12 HG3 PRO 2 HG1 PRO 2 18.598 0.768 -12.026 13 HD2 PRO 2 HD2 PRO 2 16.079 0.411 -12.970 14 HD3 PRO 2 HD1 PRO 2 17.234 -0.924 -12.783 15 HA PRO 3 HA PRO 3 14.058 1.821 -7.156 16 HB2 PRO 3 HB2 PRO 3 16.128 2.678 -5.333 17 HB3 PRO 3 HB1 PRO 3 14.800 1.555 -5.035 18 HG2 PRO 3 HG2 PRO 3 17.429 0.809 -5.108 19 HG3 PRO 3 HG1 PRO 3 16.083 -0.281 -5.487 20 HD2 PRO 3 HD2 PRO 3 17.886 1.224 -7.348 21 HD3 PRO 3 HD1 PRO 3 17.290 -0.448 -7.465 22 H VAL 4 HN VAL 4 13.777 3.425 -8.748 23 HA VAL 4 HA VAL 4 15.583 5.743 -8.479 24 HB VAL 4 HB VAL 4 14.501 6.237 -10.868 25 HG11 VAL 4 HG11 VAL 4 16.849 6.245 -10.521 26 HG12 VAL 4 HG12 VAL 4 16.535 5.137 -11.858 27 HG13 VAL 4 HG13 VAL 4 16.882 4.503 -10.249 28 HG21 VAL 4 HG21 VAL 4 14.084 4.335 -12.172 29 HG22 VAL 4 HG22 VAL 4 13.235 4.019 -10.658 30 HG23 VAL 4 HG23 VAL 4 14.790 3.250 -10.975 31 H CYS 5 HN CYS 5 14.638 7.315 -7.393 32 HA CYS 5 HA CYS 5 11.760 7.554 -7.269 33 HB2 CYS 5 HB2 CYS 5 12.976 8.042 -5.246 34 HB3 CYS 5 HB1 CYS 5 14.026 9.179 -6.082 35 H GLY 6 HN GLY 6 10.815 8.307 -9.064 36 HA2 GLY 6 HA2 GLY 6 10.212 10.339 -10.265 37 HA3 GLY 6 HA1 GLY 6 11.923 10.761 -10.268 38 H ASN 7 HN ASN 7 10.819 7.523 -10.802 39 HA ASN 7 HA ASN 7 11.457 7.726 -13.667 40 HB2 ASN 7 HB2 ASN 7 12.523 5.910 -11.567 41 HB3 ASN 7 HB1 ASN 7 12.139 5.170 -13.120 42 HD21 ASN 7 HD21 ASN 7 13.658 8.165 -11.960 43 HD22 ASN 7 HD22 ASN 7 15.020 8.084 -13.020 44 H LYS 8 HN LYS 8 9.094 7.280 -11.515 45 HA LYS 8 HA LYS 8 6.960 6.574 -11.735 46 HB2 LYS 8 HB2 LYS 8 7.611 6.763 -14.313 47 HB3 LYS 8 HB1 LYS 8 7.467 5.013 -14.220 48 HG2 LYS 8 HG2 LYS 8 5.180 5.540 -13.088 49 HG3 LYS 8 HG1 LYS 8 5.373 7.106 -13.878 50 HD2 LYS 8 HD2 LYS 8 4.323 6.040 -15.578 51 HD3 LYS 8 HD1 LYS 8 5.962 5.495 -15.939 52 HE2 LYS 8 HE2 LYS 8 5.542 3.368 -15.290 53 HE3 LYS 8 HE1 LYS 8 4.445 3.865 -14.003 54 HZ1 LYS 8 HZ1 LYS 8 2.693 4.136 -15.534 55 HZ2 LYS 8 HZ2 LYS 8 3.407 2.652 -15.918 56 HZ3 LYS 8 HZ3 LYS 8 3.722 4.012 -16.872 57 H ILE 9 HN ILE 9 9.389 4.971 -10.754 58 HA ILE 9 HA ILE 9 7.999 2.377 -10.618 59 HB ILE 9 HB ILE 9 10.767 2.101 -9.914 60 HG12 ILE 9 HG12 ILE 9 10.269 3.242 -12.672 61 HG13 ILE 9 HG11 ILE 9 11.180 4.015 -11.377 62 HG21 ILE 9 HG21 ILE 9 10.406 0.667 -12.203 63 HG22 ILE 9 HG22 ILE 9 8.755 0.835 -11.608 64 HG23 ILE 9 HG23 ILE 9 9.995 0.119 -10.579 65 HD11 ILE 9 HD11 ILE 9 12.714 3.074 -12.943 66 HD12 ILE 9 HD12 ILE 9 11.911 1.506 -12.861 67 HD13 ILE 9 HD13 ILE 9 12.781 2.126 -11.457 68 H LEU 10 HN LEU 10 7.146 2.103 -8.672 69 HA LEU 10 HA LEU 10 8.008 3.582 -6.383 70 HB2 LEU 10 HB2 LEU 10 6.365 1.127 -6.042 71 HB3 LEU 10 HB1 LEU 10 6.193 2.700 -5.289 72 HG LEU 10 HG LEU 10 5.537 3.350 -7.818 73 HD11 LEU 10 HD11 LEU 10 4.706 1.684 -9.077 74 HD12 LEU 10 HD12 LEU 10 4.070 0.806 -7.685 75 HD13 LEU 10 HD13 LEU 10 5.779 0.676 -8.105 76 HD21 LEU 10 HD21 LEU 10 3.497 3.750 -6.945 77 HD22 LEU 10 HD22 LEU 10 4.288 3.308 -5.433 78 HD23 LEU 10 HD23 LEU 10 3.329 2.114 -6.308 79 H GLU 11 HN GLU 11 10.297 2.735 -6.895 80 HA GLU 11 HA GLU 11 10.740 0.294 -5.313 81 HB2 GLU 11 HB2 GLU 11 11.206 -0.032 -7.718 82 HB3 GLU 11 HB1 GLU 11 12.392 1.262 -7.647 83 HG2 GLU 11 HG2 GLU 11 13.854 0.009 -6.332 84 HG3 GLU 11 HG1 GLU 11 12.595 -1.133 -5.866 85 H GLN 12 HN GLN 12 12.083 3.435 -6.286 86 HA GLN 12 HA GLN 12 14.250 3.362 -4.448 87 HB2 GLN 12 HB2 GLN 12 13.771 4.884 -6.539 88 HB3 GLN 12 HB1 GLN 12 13.054 5.947 -5.339 89 HG2 GLN 12 HG2 GLN 12 15.795 4.869 -4.888 90 HG3 GLN 12 HG1 GLN 12 15.557 6.203 -6.016 91 HE21 GLN 12 HE21 GLN 12 15.524 8.185 -5.218 92 HE22 GLN 12 HE22 GLN 12 15.341 8.600 -3.551 93 H GLY 13 HN GLY 13 12.644 2.494 -2.713 94 HA2 GLY 13 HA2 GLY 13 11.331 2.833 -0.826 95 HA3 GLY 13 HA1 GLY 13 12.648 3.936 -0.473 96 H GLU 14 HN GLU 14 10.227 4.359 -2.998 97 HA GLU 14 HA GLU 14 9.451 6.867 -1.717 98 HB2 GLU 14 HB2 GLU 14 8.472 7.469 -3.894 99 HB3 GLU 14 HB1 GLU 14 10.174 7.060 -4.019 100 HG2 GLU 14 HG2 GLU 14 8.021 5.064 -4.620 101 HG3 GLU 14 HG1 GLU 14 8.605 6.205 -5.825 102 H ASP 15 HN ASP 15 7.979 3.954 -3.090 103 HA ASP 15 HA ASP 15 6.029 2.879 -2.597 104 HB2 ASP 15 HB2 ASP 15 5.491 4.942 -0.461 105 HB3 ASP 15 HB1 ASP 15 4.882 3.293 -0.555 106 H CYS 16 HN CYS 16 6.350 5.631 -4.078 107 HA CYS 16 HA CYS 16 3.821 5.685 -5.268 108 HB2 CYS 16 HB2 CYS 16 4.207 7.450 -2.951 109 HB3 CYS 16 HB1 CYS 16 3.505 8.210 -4.371 110 H ASP 17 HN ASP 17 5.995 5.438 -6.519 111 HA ASP 17 HA ASP 17 7.451 7.786 -7.152 112 HB2 ASP 17 HB2 ASP 17 8.072 5.259 -7.436 113 HB3 ASP 17 HB1 ASP 17 7.304 5.444 -9.009 114 H CYS 18 HN CYS 18 7.646 8.710 -9.292 115 HA CYS 18 HA CYS 18 5.503 8.485 -11.176 116 HB2 CYS 18 HB2 CYS 18 5.340 10.485 -9.077 117 HB3 CYS 18 HB1 CYS 18 5.398 11.238 -10.665 118 H GLY 19 HN GLY 19 6.359 8.867 -13.125 119 HA2 GLY 19 HA2 GLY 19 8.954 9.316 -13.720 120 HA3 GLY 19 HA1 GLY 19 7.655 9.827 -14.786 121 H SER 20 HN SER 20 6.596 11.978 -13.988 122 HA SER 20 HA SER 20 8.633 13.809 -12.950 123 HB2 SER 20 HB2 SER 20 7.407 13.857 -15.658 124 HB3 SER 20 HB1 SER 20 7.584 15.408 -14.837 125 HG SER 20 HG SER 20 9.560 15.304 -15.538 126 HA PRO 21 HA PRO 21 5.378 15.322 -10.366 127 HB2 PRO 21 HB2 PRO 21 6.514 18.003 -11.034 128 HB3 PRO 21 HB1 PRO 21 6.136 17.303 -9.456 129 HG2 PRO 21 HG2 PRO 21 8.654 17.451 -10.303 130 HG3 PRO 21 HG1 PRO 21 8.078 16.035 -9.404 131 HD2 PRO 21 HD2 PRO 21 8.645 16.332 -12.315 132 HD3 PRO 21 HD1 PRO 21 8.845 14.917 -11.263 133 H ALA 22 HN ALA 22 6.007 16.784 -13.502 134 HA ALA 22 HA ALA 22 3.371 17.987 -13.637 135 HB1 ALA 22 HB1 ALA 22 4.088 19.083 -15.539 136 HB2 ALA 22 HB2 ALA 22 5.227 17.809 -15.973 137 HB3 ALA 22 HB3 ALA 22 5.593 18.902 -14.638 138 H ASN 23 HN ASN 23 5.034 15.142 -14.776 139 HA ASN 23 HA ASN 23 2.659 14.356 -16.322 140 HB2 ASN 23 HB2 ASN 23 5.565 13.744 -16.572 141 HB3 ASN 23 HB1 ASN 23 4.421 12.498 -17.061 142 HD21 ASN 23 HD21 ASN 23 4.139 12.514 -19.159 143 HD22 ASN 23 HD22 ASN 23 4.022 13.913 -20.166 144 H CYS 24 HN CYS 24 3.153 14.192 -13.350 145 HA CYS 24 HA CYS 24 3.459 11.446 -12.692 146 HB2 CYS 24 HB2 CYS 24 3.996 13.162 -11.060 147 HB3 CYS 24 HB1 CYS 24 2.341 13.761 -11.100 148 H GLN 25 HN GLN 25 1.994 10.335 -13.961 149 HA GLN 25 HA GLN 25 -0.813 10.909 -13.913 150 HB2 GLN 25 HB2 GLN 25 -1.065 8.907 -15.248 151 HB3 GLN 25 HB1 GLN 25 0.301 9.839 -15.846 152 HG2 GLN 25 HG2 GLN 25 1.734 8.301 -14.375 153 HG3 GLN 25 HG1 GLN 25 0.307 7.267 -14.316 154 HE21 GLN 25 HE21 GLN 25 0.919 5.586 -15.530 155 HE22 GLN 25 HE22 GLN 25 1.416 5.688 -17.181 156 H ASP 26 HN ASP 26 -0.065 10.735 -11.295 157 HA ASP 26 HA ASP 26 -1.650 8.478 -10.397 158 HB2 ASP 26 HB2 ASP 26 1.197 8.465 -10.220 159 HB3 ASP 26 HB1 ASP 26 0.554 8.649 -8.592 160 H ARG 27 HN ARG 27 -3.211 9.595 -9.413 161 HA ARG 27 HA ARG 27 -2.801 12.096 -8.131 162 HB2 ARG 27 HB2 ARG 27 -4.933 11.476 -9.162 163 HB3 ARG 27 HB1 ARG 27 -5.145 10.197 -7.975 164 HG2 ARG 27 HG2 ARG 27 -6.383 11.746 -6.922 165 HG3 ARG 27 HG1 ARG 27 -4.816 12.308 -6.338 166 HD2 ARG 27 HD2 ARG 27 -4.789 14.120 -7.741 167 HD3 ARG 27 HD1 ARG 27 -5.806 13.336 -8.948 168 HE ARG 27 HE ARG 27 -7.646 14.189 -7.894 169 HH11 ARG 27 HH11 ARG 27 -4.923 14.386 -5.721 170 HH12 ARG 27 HH12 ARG 27 -5.778 15.310 -4.532 171 HH21 ARG 27 HH21 ARG 27 -8.773 15.404 -6.332 172 HH22 ARG 27 HH22 ARG 27 -7.965 15.887 -4.879 173 H CYS 28 HN CYS 28 -3.214 8.788 -6.925 174 HA CYS 28 HA CYS 28 -3.035 9.659 -4.173 175 HB2 CYS 28 HB2 CYS 28 -3.351 6.990 -5.514 176 HB3 CYS 28 HB1 CYS 28 -2.980 7.097 -3.796 177 H CYS 29 HN CYS 29 -0.774 9.409 -6.495 178 HA CYS 29 HA CYS 29 1.348 8.931 -4.541 179 HB2 CYS 29 HB2 CYS 29 1.000 7.454 -7.144 180 HB3 CYS 29 HB1 CYS 29 2.580 7.631 -6.390 181 H ASN 30 HN ASN 30 2.579 10.728 -4.580 182 HA ASN 30 HA ASN 30 2.882 12.072 -7.192 183 HB2 ASN 30 HB2 ASN 30 3.269 14.162 -5.981 184 HB3 ASN 30 HB1 ASN 30 1.709 13.462 -5.567 185 HD21 ASN 30 HD21 ASN 30 4.001 15.170 -4.277 186 HD22 ASN 30 HD22 ASN 30 4.039 14.549 -2.666 187 H ALA 31 HN ALA 31 4.831 12.516 -8.002 188 HA ALA 31 HA ALA 31 7.088 11.111 -6.948 189 HB1 ALA 31 HB1 ALA 31 6.419 12.552 -9.413 190 HB2 ALA 31 HB2 ALA 31 7.343 11.070 -9.172 191 HB3 ALA 31 HB3 ALA 31 8.118 12.637 -8.946 192 H ALA 32 HN ALA 32 6.075 14.483 -7.076 193 HA ALA 32 HA ALA 32 8.393 15.815 -6.448 194 HB1 ALA 32 HB1 ALA 32 7.065 17.578 -5.624 195 HB2 ALA 32 HB2 ALA 32 5.776 16.482 -5.127 196 HB3 ALA 32 HB3 ALA 32 6.071 16.775 -6.840 197 H THR 33 HN THR 33 6.560 13.651 -4.480 198 HA THR 33 HA THR 33 8.313 14.210 -2.178 199 HB THR 33 HB THR 33 5.778 14.607 -1.944 200 HG1 THR 33 HG1 THR 33 7.091 12.810 -0.189 201 HG21 THR 33 HG21 THR 33 5.215 12.383 -3.094 202 HG22 THR 33 HG22 THR 33 4.325 12.804 -1.631 203 HG23 THR 33 HG23 THR 33 5.643 11.637 -1.557 204 H CYS 34 HN CYS 34 6.998 11.872 -4.372 205 HA CYS 34 HA CYS 34 7.496 9.712 -4.802 206 HB2 CYS 34 HB2 CYS 34 9.911 10.749 -3.594 207 HB3 CYS 34 HB1 CYS 34 9.666 9.070 -3.121 208 H LYS 35 HN LYS 35 5.557 10.311 -3.078 209 HA LYS 35 HA LYS 35 5.290 7.932 -1.545 210 HB2 LYS 35 HB2 LYS 35 5.622 8.621 0.592 211 HB3 LYS 35 HB1 LYS 35 6.685 9.787 -0.177 212 HG2 LYS 35 HG2 LYS 35 5.545 11.284 1.025 213 HG3 LYS 35 HG1 LYS 35 4.317 11.123 -0.230 214 HD2 LYS 35 HD2 LYS 35 2.989 9.730 1.076 215 HD3 LYS 35 HD1 LYS 35 4.332 9.275 2.126 216 HE2 LYS 35 HE2 LYS 35 4.303 11.365 3.228 217 HE3 LYS 35 HE1 LYS 35 3.251 12.078 2.005 218 HZ1 LYS 35 HZ1 LYS 35 2.421 9.853 3.783 219 HZ2 LYS 35 HZ2 LYS 35 1.436 10.772 2.760 220 HZ3 LYS 35 HZ3 LYS 35 2.129 11.484 4.128 221 H LEU 36 HN LEU 36 3.151 7.930 -0.377 222 HA LEU 36 HA LEU 36 1.057 8.519 -2.047 223 HB2 LEU 36 HB2 LEU 36 1.100 8.195 0.945 224 HB3 LEU 36 HB1 LEU 36 -0.383 8.312 0.016 225 HG LEU 36 HG LEU 36 1.596 6.233 -0.777 226 HD11 LEU 36 HD11 LEU 36 1.596 5.890 1.577 227 HD12 LEU 36 HD12 LEU 36 0.528 4.679 0.869 228 HD13 LEU 36 HD13 LEU 36 -0.153 6.096 1.668 229 HD21 LEU 36 HD21 LEU 36 -0.541 6.707 -2.003 230 HD22 LEU 36 HD22 LEU 36 -1.406 6.143 -0.574 231 HD23 LEU 36 HD23 LEU 36 -0.348 5.042 -1.456 232 H THR 37 HN THR 37 -0.114 10.237 -2.554 233 HA THR 37 HA THR 37 0.628 12.826 -1.606 234 HB THR 37 HB THR 37 -0.853 13.682 -3.217 235 HG1 THR 37 HG1 THR 37 -2.248 11.233 -2.977 236 HG21 THR 37 HG21 THR 37 -0.099 12.782 -5.117 237 HG22 THR 37 HG22 THR 37 -0.627 11.157 -4.681 238 HG23 THR 37 HG23 THR 37 0.889 11.792 -4.044 239 HA PRO 38 HA PRO 38 -2.026 13.560 1.831 240 HB2 PRO 38 HB2 PRO 38 -3.302 15.909 1.019 241 HB3 PRO 38 HB1 PRO 38 -1.757 15.814 1.868 242 HG2 PRO 38 HG2 PRO 38 -2.304 16.154 -1.045 243 HG3 PRO 38 HG1 PRO 38 -1.024 16.871 -0.049 244 HD2 PRO 38 HD2 PRO 38 -0.515 14.835 -1.708 245 HD3 PRO 38 HD1 PRO 38 0.280 14.949 -0.124 246 H GLY 39 HN GLY 39 -3.709 12.241 2.114 247 HA2 GLY 39 HA2 GLY 39 -6.184 12.235 2.031 248 HA3 GLY 39 HA1 GLY 39 -6.031 12.550 0.309 249 H SER 40 HN SER 40 -3.739 10.676 0.097 250 HA SER 40 HA SER 40 -5.301 8.185 0.122 251 HB2 SER 40 HB2 SER 40 -4.060 7.453 -1.760 252 HB3 SER 40 HB1 SER 40 -4.424 9.147 -2.085 253 HG SER 40 HG SER 40 -1.985 8.053 -1.145 254 H GLN 41 HN GLN 41 -4.603 6.467 1.257 255 HA GLN 41 HA GLN 41 -2.003 6.722 2.619 256 HB2 GLN 41 HB2 GLN 41 -4.584 5.439 3.501 257 HB3 GLN 41 HB1 GLN 41 -3.054 5.138 4.312 258 HG2 GLN 41 HG2 GLN 41 -3.116 7.860 4.234 259 HG3 GLN 41 HG1 GLN 41 -4.822 7.460 4.425 260 HE21 GLN 41 HE21 GLN 41 -5.316 5.884 6.171 261 HE22 GLN 41 HE22 GLN 41 -4.415 6.006 7.640 262 H CYS 42 HN CYS 42 -4.011 4.689 0.642 263 HA CYS 42 HA CYS 42 -1.796 2.768 0.446 264 HB2 CYS 42 HB2 CYS 42 -4.025 2.162 1.866 265 HB3 CYS 42 HB1 CYS 42 -4.473 1.583 0.266 266 H ASN 43 HN ASN 43 -1.138 3.209 -1.578 267 HA ASN 43 HA ASN 43 -3.161 3.272 -3.712 268 HB2 ASN 43 HB2 ASN 43 -1.674 5.245 -3.567 269 HB3 ASN 43 HB1 ASN 43 -0.280 4.193 -3.801 270 HD21 ASN 43 HD21 ASN 43 0.264 3.558 -5.812 271 HD22 ASN 43 HD22 ASN 43 -0.579 4.032 -7.244 272 H TYR 44 HN TYR 44 -1.354 1.060 -2.230 273 HA TYR 44 HA TYR 44 -1.539 -0.871 -4.227 274 HB2 TYR 44 HB2 TYR 44 0.326 -0.723 -5.464 275 HB3 TYR 44 HB1 TYR 44 0.623 0.839 -4.714 276 HD1 TYR 44 HD2 TYR 44 1.204 -2.799 -4.133 277 HD2 TYR 44 HD1 TYR 44 2.616 1.174 -3.581 278 HE1 TYR 44 HE2 TYR 44 3.269 -3.680 -3.149 279 HE2 TYR 44 HE1 TYR 44 4.693 0.308 -2.597 280 HH TYR 44 HH TYR 44 5.492 -1.728 -1.474 281 H GLY 45 HN GLY 45 -1.797 -2.640 -3.055 282 HA2 GLY 45 HA2 GLY 45 -0.242 -4.087 -1.520 283 HA3 GLY 45 HA1 GLY 45 -0.575 -2.776 -0.398 284 H GLU 46 HN GLU 46 -1.242 -5.321 0.290 285 HA GLU 46 HA GLU 46 -3.778 -6.241 -0.401 286 HB2 GLU 46 HB2 GLU 46 -1.984 -6.584 1.958 287 HB3 GLU 46 HB1 GLU 46 -3.629 -7.197 2.050 288 HG2 GLU 46 HG2 GLU 46 -1.983 -8.893 1.347 289 HG3 GLU 46 HG1 GLU 46 -3.269 -8.633 0.169 290 H CYS 47 HN CYS 47 -2.825 -4.098 2.264 291 HA CYS 47 HA CYS 47 -5.426 -3.881 3.366 292 HB2 CYS 47 HB2 CYS 47 -2.802 -2.595 3.771 293 HB3 CYS 47 HB1 CYS 47 -4.200 -1.669 4.297 294 H CYS 48 HN CYS 48 -4.043 -2.380 0.607 295 HA CYS 48 HA CYS 48 -5.408 0.083 0.738 296 HB2 CYS 48 HB2 CYS 48 -4.614 -1.237 -1.839 297 HB3 CYS 48 HB1 CYS 48 -4.654 0.479 -1.439 298 H ASP 49 HN ASP 49 -7.241 0.817 -0.104 299 HA ASP 49 HA ASP 49 -8.983 -0.650 -1.796 300 HB2 ASP 49 HB2 ASP 49 -9.188 -1.629 0.674 301 HB3 ASP 49 HB1 ASP 49 -10.224 -0.221 0.887 302 H GLN 50 HN GLN 50 -9.600 1.024 -3.015 303 HA GLN 50 HA GLN 50 -10.472 3.029 -3.648 304 HB2 GLN 50 HB2 GLN 50 -11.655 2.576 -0.981 305 HB3 GLN 50 HB1 GLN 50 -11.640 4.252 -1.512 306 HG2 GLN 50 HG2 GLN 50 -12.561 2.360 -3.542 307 HG3 GLN 50 HG1 GLN 50 -13.572 2.433 -2.100 308 HE21 GLN 50 HE21 GLN 50 -12.435 4.116 -4.894 309 HE22 GLN 50 HE22 GLN 50 -13.490 5.478 -4.765 310 H CYS 51 HN CYS 51 -7.776 2.778 -2.610 311 HA CYS 51 HA CYS 51 -5.975 4.101 -2.242 312 HB2 CYS 51 HB2 CYS 51 -8.031 6.014 -3.113 313 HB3 CYS 51 HB1 CYS 51 -6.738 6.725 -2.152 314 H ARG 52 HN ARG 52 -7.667 3.115 -0.066 315 HA ARG 52 HA ARG 52 -6.561 4.799 2.044 316 HB2 ARG 52 HB2 ARG 52 -9.072 5.338 1.461 317 HB3 ARG 52 HB1 ARG 52 -9.387 3.870 2.377 318 HG2 ARG 52 HG2 ARG 52 -9.522 5.336 4.083 319 HG3 ARG 52 HG1 ARG 52 -7.772 5.108 4.107 320 HD2 ARG 52 HD2 ARG 52 -7.811 7.076 2.373 321 HD3 ARG 52 HD1 ARG 52 -9.379 7.413 3.106 322 HE ARG 52 HE ARG 52 -6.788 7.820 4.283 323 HH11 ARG 52 HH11 ARG 52 -10.176 7.299 4.937 324 HH12 ARG 52 HH12 ARG 52 -10.115 8.033 6.504 325 HH21 ARG 52 HH21 ARG 52 -6.705 8.785 6.344 326 HH22 ARG 52 HH22 ARG 52 -8.144 8.877 7.303 327 H PHE 53 HN PHE 53 -6.024 3.660 3.910 328 HA PHE 53 HA PHE 53 -5.524 0.922 3.632 329 HB2 PHE 53 HB2 PHE 53 -5.580 2.682 6.082 330 HB3 PHE 53 HB1 PHE 53 -5.146 0.975 6.153 331 HD1 PHE 53 HD2 PHE 53 -3.712 0.953 3.437 332 HD2 PHE 53 HD1 PHE 53 -3.475 3.523 6.818 333 HE1 PHE 53 HE2 PHE 53 -1.411 1.498 2.848 334 HE2 PHE 53 HE1 PHE 53 -1.152 4.078 6.231 335 HZ PHE 53 HZ PHE 53 -0.110 3.065 4.241 336 H LYS 54 HN LYS 54 -6.518 -0.888 4.277 337 HA LYS 54 HA LYS 54 -9.338 -0.839 4.531 338 HB2 LYS 54 HB2 LYS 54 -7.226 -2.863 4.411 339 HB3 LYS 54 HB1 LYS 54 -8.578 -3.336 5.430 340 HG2 LYS 54 HG2 LYS 54 -9.986 -3.564 3.691 341 HG3 LYS 54 HG1 LYS 54 -9.301 -2.191 2.819 342 HD2 LYS 54 HD2 LYS 54 -7.297 -3.645 2.338 343 HD3 LYS 54 HD1 LYS 54 -8.226 -5.001 2.981 344 HE2 LYS 54 HE2 LYS 54 -10.010 -3.965 1.240 345 HE3 LYS 54 HE1 LYS 54 -8.501 -3.547 0.431 346 HZ1 LYS 54 HZ1 LYS 54 -7.937 -5.743 0.153 347 HZ2 LYS 54 HZ2 LYS 54 -9.617 -5.819 -0.029 348 HZ3 LYS 54 HZ3 LYS 54 -8.904 -6.283 1.432 349 H LYS 55 HN LYS 55 -10.223 0.103 6.277 350 HA LYS 55 HA LYS 55 -9.377 0.641 8.730 351 HB2 LYS 55 HB2 LYS 55 -11.681 1.061 7.928 352 HB3 LYS 55 HB1 LYS 55 -12.071 -0.629 8.214 353 HG2 LYS 55 HG2 LYS 55 -12.912 0.490 10.075 354 HG3 LYS 55 HG1 LYS 55 -11.387 -0.200 10.634 355 HD2 LYS 55 HD2 LYS 55 -10.489 2.169 9.784 356 HD3 LYS 55 HD1 LYS 55 -12.147 2.629 10.180 357 HE2 LYS 55 HE2 LYS 55 -11.696 1.385 12.408 358 HE3 LYS 55 HE1 LYS 55 -9.997 1.566 11.973 359 HZ1 LYS 55 HZ1 LYS 55 -11.931 3.585 12.790 360 HZ2 LYS 55 HZ2 LYS 55 -10.827 4.044 11.594 361 HZ3 LYS 55 HZ3 LYS 55 -10.268 3.492 13.092 362 H ALA 56 HN ALA 56 -8.532 -0.362 10.436 363 HA ALA 56 HA ALA 56 -7.689 -2.906 10.566 364 HB1 ALA 56 HB1 ALA 56 -8.117 -2.668 13.152 365 HB2 ALA 56 HB2 ALA 56 -8.472 -0.998 12.701 366 HB3 ALA 56 HB3 ALA 56 -6.896 -1.697 12.328 367 H GLY 57 HN GLY 57 -8.518 -4.875 10.747 368 HA2 GLY 57 HA2 GLY 57 -10.153 -6.333 11.897 369 HA3 GLY 57 HA1 GLY 57 -11.355 -5.086 11.582 370 H THR 58 HN THR 58 -9.752 -4.844 8.886 371 HA THR 58 HA THR 58 -11.556 -6.525 7.401 372 HB THR 58 HB THR 58 -9.259 -4.768 6.502 373 HG1 THR 58 HG1 THR 58 -10.667 -3.213 6.478 374 HG21 THR 58 HG21 THR 58 -9.567 -5.378 4.405 375 HG22 THR 58 HG22 THR 58 -11.319 -5.220 4.546 376 HG23 THR 58 HG23 THR 58 -10.529 -6.727 5.016 377 H VAL 59 HN VAL 59 -11.168 -8.603 6.939 378 HA VAL 59 HA VAL 59 -8.580 -9.731 7.457 379 HB VAL 59 HB VAL 59 -10.607 -10.981 8.038 380 HG11 VAL 59 HG11 VAL 59 -12.277 -11.497 6.615 381 HG12 VAL 59 HG12 VAL 59 -11.183 -11.755 5.255 382 HG13 VAL 59 HG13 VAL 59 -11.649 -10.117 5.713 383 HG21 VAL 59 HG21 VAL 59 -9.509 -12.904 7.770 384 HG22 VAL 59 HG22 VAL 59 -8.323 -11.985 6.844 385 HG23 VAL 59 HG23 VAL 59 -9.635 -12.818 6.013 386 H CYS 60 HN CYS 60 -6.969 -9.855 6.048 387 HA CYS 60 HA CYS 60 -7.601 -9.681 3.175 388 HB2 CYS 60 HB2 CYS 60 -4.907 -9.274 4.465 389 HB3 CYS 60 HB1 CYS 60 -5.371 -8.875 2.817 390 H ARG 61 HN ARG 61 -6.238 -11.756 5.577 391 HA ARG 61 HA ARG 61 -5.856 -13.842 3.569 392 HB2 ARG 61 HB2 ARG 61 -3.668 -12.486 4.140 393 HB3 ARG 61 HB1 ARG 61 -3.677 -13.471 5.593 394 HG2 ARG 61 HG2 ARG 61 -3.278 -15.423 4.435 395 HG3 ARG 61 HG1 ARG 61 -3.907 -14.776 2.919 396 HD2 ARG 61 HD2 ARG 61 -1.397 -15.084 3.063 397 HD3 ARG 61 HD1 ARG 61 -1.960 -13.499 2.545 398 HE ARG 61 HE ARG 61 -0.683 -14.163 5.089 399 HH11 ARG 61 HH11 ARG 61 -2.173 -11.747 3.046 400 HH12 ARG 61 HH12 ARG 61 -1.506 -10.417 3.929 401 HH21 ARG 61 HH21 ARG 61 0.186 -12.411 6.245 402 HH22 ARG 61 HH22 ARG 61 -0.170 -10.792 5.743 403 H ILE 62 HN ILE 62 -5.010 -15.913 4.881 404 HA ILE 62 HA ILE 62 -5.697 -16.279 7.549 405 HB ILE 62 HB ILE 62 -7.990 -15.873 6.936 406 HG12 ILE 62 HG12 ILE 62 -9.009 -18.050 7.605 407 HG13 ILE 62 HG11 ILE 62 -7.434 -18.808 7.399 408 HG21 ILE 62 HG21 ILE 62 -8.306 -18.215 5.203 409 HG22 ILE 62 HG22 ILE 62 -7.372 -16.894 4.501 410 HG23 ILE 62 HG23 ILE 62 -9.013 -16.604 5.078 411 HD11 ILE 62 HD11 ILE 62 -7.990 -16.557 9.311 412 HD12 ILE 62 HD12 ILE 62 -6.512 -17.509 9.182 413 HD13 ILE 62 HD13 ILE 62 -8.002 -18.266 9.745 414 H ALA 63 HN ALA 63 -4.888 -18.154 8.220 415 HA ALA 63 HA ALA 63 -3.350 -19.742 6.509 416 HB1 ALA 63 HB1 ALA 63 -4.076 -21.151 8.922 417 HB2 ALA 63 HB2 ALA 63 -3.641 -19.473 9.251 418 HB3 ALA 63 HB3 ALA 63 -2.509 -20.528 8.406 419 H ARG 64 HN ARG 64 -6.016 -21.044 8.453 420 HA ARG 64 HA ARG 64 -7.547 -22.037 6.333 421 HB2 ARG 64 HB2 ARG 64 -5.264 -23.420 6.326 422 HB3 ARG 64 HB1 ARG 64 -6.124 -24.352 7.545 423 HG2 ARG 64 HG2 ARG 64 -6.468 -25.387 5.427 424 HG3 ARG 64 HG1 ARG 64 -7.987 -24.639 5.926 425 HD2 ARG 64 HD2 ARG 64 -7.969 -23.804 3.835 426 HD3 ARG 64 HD1 ARG 64 -6.876 -22.611 4.534 427 HE ARG 64 HE ARG 64 -5.244 -24.648 3.734 428 HH11 ARG 64 HH11 ARG 64 -7.622 -22.638 2.157 429 HH12 ARG 64 HH12 ARG 64 -6.839 -22.706 0.614 430 HH21 ARG 64 HH21 ARG 64 -4.213 -24.738 1.705 431 HH22 ARG 64 HH22 ARG 64 -4.904 -23.899 0.357 432 H GLY 65 HN GLY 65 -8.831 -20.987 8.102 433 HA2 GLY 65 HA2 GLY 65 -10.655 -22.477 9.283 434 HA3 GLY 65 HA1 GLY 65 -9.323 -22.721 10.403 435 H ASP 66 HN ASP 66 -9.228 -21.401 12.069 436 HA ASP 66 HA ASP 66 -9.710 -18.609 11.909 437 HB2 ASP 66 HB2 ASP 66 -11.686 -18.530 13.414 438 HB3 ASP 66 HB1 ASP 66 -12.048 -19.265 11.856 439 H TRP 67 HN TRP 67 -7.630 -18.731 12.851 440 HA TRP 67 HA TRP 67 -7.632 -19.435 15.714 441 HB2 TRP 67 HB2 TRP 67 -4.963 -19.380 14.843 442 HB3 TRP 67 HB1 TRP 67 -5.912 -20.803 15.252 443 HD1 TRP 67 HD1 TRP 67 -5.312 -18.591 12.096 444 HE1 TRP 67 HE1 TRP 67 -5.340 -20.128 10.049 445 HE3 TRP 67 HE3 TRP 67 -6.344 -23.015 14.428 446 HZ2 TRP 67 HZ2 TRP 67 -5.728 -22.869 9.484 447 HZ3 TRP 67 HZ3 TRP 67 -6.525 -25.055 13.061 448 HH2 TRP 67 HH2 TRP 67 -6.223 -24.981 10.639 449 H ASN 68 HN ASN 68 -5.544 -17.615 13.526 450 HA ASN 68 HA ASN 68 -5.615 -15.347 15.404 451 HB2 ASN 68 HB2 ASN 68 -3.477 -15.701 13.330 452 HB3 ASN 68 HB1 ASN 68 -3.410 -14.818 14.851 453 HD21 ASN 68 HD21 ASN 68 -3.582 -18.051 13.464 454 HD22 ASN 68 HD22 ASN 68 -2.758 -18.848 14.757 455 H ASP 69 HN ASP 69 -5.763 -16.367 12.059 456 HA ASP 69 HA ASP 69 -6.619 -15.400 10.190 457 HB2 ASP 69 HB2 ASP 69 -7.943 -13.836 12.357 458 HB3 ASP 69 HB1 ASP 69 -8.104 -13.301 10.689 459 H ASP 70 HN ASP 70 -6.585 -13.427 8.860 460 HA ASP 70 HA ASP 70 -4.306 -11.729 9.595 461 HB2 ASP 70 HB2 ASP 70 -3.869 -13.087 7.597 462 HB3 ASP 70 HB1 ASP 70 -5.327 -12.459 6.850 463 H TYR 71 HN TYR 71 -4.766 -9.679 10.023 464 HA TYR 71 HA TYR 71 -7.125 -8.509 8.732 465 HB2 TYR 71 HB2 TYR 71 -6.517 -8.650 11.660 466 HB3 TYR 71 HB1 TYR 71 -7.555 -7.392 10.996 467 HD1 TYR 71 HD1 TYR 71 -9.531 -8.120 9.617 468 HD2 TYR 71 HD2 TYR 71 -7.400 -10.763 12.156 469 HE1 TYR 71 HE1 TYR 71 -11.468 -9.608 9.646 470 HE2 TYR 71 HE2 TYR 71 -9.320 -12.290 12.204 471 HH TYR 71 HH TYR 71 -11.303 -12.804 10.860 472 H CYS 72 HN CYS 72 -7.043 -6.434 8.216 473 HA CYS 72 HA CYS 72 -4.532 -5.136 8.048 474 HB2 CYS 72 HB2 CYS 72 -6.554 -4.848 6.516 475 HB3 CYS 72 HB1 CYS 72 -7.227 -3.810 7.767 476 H THR 73 HN THR 73 -4.079 -2.963 8.947 477 HA THR 73 HA THR 73 -5.180 -2.688 11.666 478 HB THR 73 HB THR 73 -3.049 -2.060 12.482 479 HG1 THR 73 HG1 THR 73 -2.083 -2.053 9.819 480 HG21 THR 73 HG21 THR 73 -3.383 -4.542 11.430 481 HG22 THR 73 HG22 THR 73 -2.004 -4.029 12.404 482 HG23 THR 73 HG23 THR 73 -1.896 -4.012 10.643 483 H GLY 74 HN GLY 74 -5.597 -1.355 8.845 484 HA2 GLY 74 HA2 GLY 74 -6.089 0.733 8.034 485 HA3 GLY 74 HA1 GLY 74 -6.602 1.062 9.680 486 H LYS 75 HN LYS 75 -3.273 0.278 9.039 487 HA LYS 75 HA LYS 75 -2.557 3.117 9.097 488 HB2 LYS 75 HB2 LYS 75 -1.007 2.865 10.889 489 HB3 LYS 75 HB1 LYS 75 -2.539 2.193 11.427 490 HG2 LYS 75 HG2 LYS 75 -1.603 0.232 11.845 491 HG3 LYS 75 HG1 LYS 75 -0.934 0.143 10.215 492 HD2 LYS 75 HD2 LYS 75 1.103 0.852 10.877 493 HD3 LYS 75 HD1 LYS 75 0.437 2.007 12.033 494 HE2 LYS 75 HE2 LYS 75 0.495 0.531 13.740 495 HE3 LYS 75 HE1 LYS 75 0.060 -0.834 12.711 496 HZ1 LYS 75 HZ1 LYS 75 2.476 -0.409 11.803 497 HZ2 LYS 75 HZ2 LYS 75 2.206 -1.358 13.176 498 HZ3 LYS 75 HZ3 LYS 75 2.702 0.250 13.345 499 H SER 76 HN SER 76 -2.290 0.386 7.407 500 HA SER 76 HA SER 76 0.037 1.268 6.020 501 HB2 SER 76 HB2 SER 76 1.532 -0.549 6.460 502 HB3 SER 76 HB1 SER 76 1.027 0.095 8.021 503 HG SER 76 HG SER 76 0.915 -2.173 8.002 504 H SER 77 HN SER 77 0.696 -0.378 4.306 505 HA SER 77 HA SER 77 -1.730 -1.343 3.016 506 HB2 SER 77 HB2 SER 77 -0.498 -1.367 1.013 507 HB3 SER 77 HB1 SER 77 0.149 0.023 1.884 508 HG SER 77 HG SER 77 1.958 -1.112 2.371 509 H ASP 78 HN ASP 78 -0.035 -2.669 5.317 510 HA ASP 78 HA ASP 78 0.162 -5.316 4.043 511 HB2 ASP 78 HB2 ASP 78 1.683 -4.063 6.311 512 HB3 ASP 78 HB1 ASP 78 1.599 -5.814 6.143 513 H CYS 79 HN CYS 79 -0.805 -7.064 4.957 514 HA CYS 79 HA CYS 79 -2.626 -6.538 7.220 515 HB2 CYS 79 HB2 CYS 79 -3.181 -7.464 4.576 516 HB3 CYS 79 HB1 CYS 79 -3.510 -8.782 5.698 517 HA PRO 80 HA PRO 80 0.221 -9.717 8.859 518 HB2 PRO 80 HB2 PRO 80 -0.545 -9.383 11.457 519 HB3 PRO 80 HB1 PRO 80 0.649 -8.356 10.656 520 HG2 PRO 80 HG2 PRO 80 -2.265 -7.855 11.131 521 HG3 PRO 80 HG1 PRO 80 -0.892 -6.750 11.333 522 HD2 PRO 80 HD2 PRO 80 -2.484 -6.654 9.167 523 HD3 PRO 80 HD1 PRO 80 -0.744 -6.319 9.064 524 H TRP 81 HN TRP 81 -0.251 -11.814 8.864 525 HA TRP 81 HA TRP 81 -2.992 -12.678 9.282 526 HB2 TRP 81 HB2 TRP 81 -2.232 -14.854 8.401 527 HB3 TRP 81 HB1 TRP 81 -1.965 -13.516 7.295 528 HD1 TRP 81 HD1 TRP 81 0.817 -13.071 9.521 529 HE1 TRP 81 HE1 TRP 81 2.918 -14.292 8.677 530 HE3 TRP 81 HE3 TRP 81 -1.383 -16.184 6.175 531 HZ2 TRP 81 HZ2 TRP 81 3.545 -16.326 6.812 532 HZ3 TRP 81 HZ3 TRP 81 0.019 -17.754 4.887 533 HH2 TRP 81 HH2 TRP 81 2.441 -17.822 5.207 534 H ASN 82 HN ASN 82 -0.115 -12.599 10.993 535 HA ASN 82 HA ASN 82 0.541 -13.365 13.031 536 HB2 ASN 82 HB2 ASN 82 -2.433 -13.838 13.309 537 HB3 ASN 82 HB1 ASN 82 -1.281 -13.980 14.633 538 HD21 ASN 82 HD21 ASN 82 -2.524 -11.739 12.211 539 HD22 ASN 82 HD22 ASN 82 -2.288 -10.310 13.152 540 H HIS 83 HN HIS 83 1.157 -15.111 11.150 541 HA HIS 83 HA HIS 83 0.616 -17.700 12.421 542 HB2 HIS 83 HB2 HIS 83 0.650 -17.286 9.426 543 HB3 HIS 83 HB1 HIS 83 0.350 -18.797 10.277 544 HD1 HIS 83 HD1 HIS 83 -1.558 -16.925 8.308 545 HD2 HIS 83 HD2 HIS 83 -1.946 -17.722 12.364 546 HE1 HIS 83 HE1 HIS 83 -3.982 -16.533 8.839 547 HE2 HIS 83 HE2 HIS 83 -4.217 -17.166 11.265 Start of MODEL 25 1 H1 SER 1 HT1 SER 1 11.388 -6.715 -7.740 2 H2 SER 1 HT2 SER 1 11.305 -5.368 -6.679 3 H3 SER 1 HT3 SER 1 12.829 -6.017 -7.129 4 HA SER 1 HA SER 1 12.218 -5.475 -9.463 5 HB2 SER 1 HB2 SER 1 9.837 -4.692 -8.046 6 HB3 SER 1 HB1 SER 1 10.525 -3.287 -8.859 7 HG SER 1 HG SER 1 10.018 -5.787 -10.105 8 HA PRO 2 HA PRO 2 15.079 -2.174 -8.883 9 HB2 PRO 2 HB2 PRO 2 14.446 -0.370 -10.813 10 HB3 PRO 2 HB1 PRO 2 15.220 -1.920 -11.160 11 HG2 PRO 2 HG2 PRO 2 12.335 -1.152 -11.382 12 HG3 PRO 2 HG1 PRO 2 13.332 -2.096 -12.506 13 HD2 PRO 2 HD2 PRO 2 11.609 -3.255 -10.777 14 HD3 PRO 2 HD1 PRO 2 13.134 -4.026 -11.257 15 HA PRO 3 HA PRO 3 12.540 0.624 -6.344 16 HB2 PRO 3 HB2 PRO 3 14.914 0.969 -4.716 17 HB3 PRO 3 HB1 PRO 3 13.392 0.183 -4.294 18 HG2 PRO 3 HG2 PRO 3 15.742 -1.163 -4.595 19 HG3 PRO 3 HG1 PRO 3 14.153 -1.893 -4.882 20 HD2 PRO 3 HD2 PRO 3 16.124 -0.801 -6.857 21 HD3 PRO 3 HD1 PRO 3 15.140 -2.279 -6.947 22 H VAL 4 HN VAL 4 12.537 2.229 -8.014 23 HA VAL 4 HA VAL 4 14.715 4.199 -7.755 24 HB VAL 4 HB VAL 4 13.766 4.876 -10.140 25 HG11 VAL 4 HG11 VAL 4 15.737 2.684 -9.534 26 HG12 VAL 4 HG12 VAL 4 16.067 4.398 -9.785 27 HG13 VAL 4 HG13 VAL 4 15.534 3.395 -11.135 28 HG21 VAL 4 HG21 VAL 4 12.059 2.994 -9.970 29 HG22 VAL 4 HG22 VAL 4 13.412 1.890 -10.221 30 HG23 VAL 4 HG23 VAL 4 13.001 3.077 -11.459 31 H CYS 5 HN CYS 5 14.010 5.880 -6.595 32 HA CYS 5 HA CYS 5 11.213 6.630 -6.591 33 HB2 CYS 5 HB2 CYS 5 12.161 6.942 -4.480 34 HB3 CYS 5 HB1 CYS 5 13.672 7.554 -5.129 35 H GLY 6 HN GLY 6 10.527 7.576 -8.378 36 HA2 GLY 6 HA2 GLY 6 10.324 9.719 -9.530 37 HA3 GLY 6 HA1 GLY 6 12.083 9.836 -9.467 38 H ASN 7 HN ASN 7 10.466 6.860 -10.104 39 HA ASN 7 HA ASN 7 11.156 6.991 -12.957 40 HB2 ASN 7 HB2 ASN 7 11.926 5.011 -10.867 41 HB3 ASN 7 HB1 ASN 7 11.464 4.362 -12.440 42 HD21 ASN 7 HD21 ASN 7 13.471 6.945 -11.065 43 HD22 ASN 7 HD22 ASN 7 14.791 6.736 -12.159 44 H LYS 8 HN LYS 8 8.734 7.079 -10.947 45 HA LYS 8 HA LYS 8 6.526 6.635 -11.101 46 HB2 LYS 8 HB2 LYS 8 7.126 6.737 -13.661 47 HB3 LYS 8 HB1 LYS 8 6.898 4.995 -13.581 48 HG2 LYS 8 HG2 LYS 8 4.646 5.735 -12.384 49 HG3 LYS 8 HG1 LYS 8 4.919 7.184 -13.353 50 HD2 LYS 8 HD2 LYS 8 3.814 6.016 -14.936 51 HD3 LYS 8 HD1 LYS 8 5.393 5.272 -15.198 52 HE2 LYS 8 HE2 LYS 8 4.446 3.725 -13.197 53 HE3 LYS 8 HE1 LYS 8 2.939 4.156 -14.006 54 HZ1 LYS 8 HZ1 LYS 8 5.228 2.627 -15.043 55 HZ2 LYS 8 HZ2 LYS 8 4.235 3.471 -16.121 56 HZ3 LYS 8 HZ3 LYS 8 3.576 2.271 -15.128 57 H ILE 9 HN ILE 9 8.668 4.809 -10.013 58 HA ILE 9 HA ILE 9 7.103 2.324 -9.973 59 HB ILE 9 HB ILE 9 9.792 2.653 -10.594 60 HG12 ILE 9 HG12 ILE 9 8.677 0.763 -11.409 61 HG13 ILE 9 HG11 ILE 9 9.838 0.104 -10.261 62 HG21 ILE 9 HG21 ILE 9 10.342 3.023 -8.249 63 HG22 ILE 9 HG22 ILE 9 11.047 1.528 -8.865 64 HG23 ILE 9 HG23 ILE 9 9.615 1.468 -7.843 65 HD11 ILE 9 HD11 ILE 9 6.903 0.117 -10.186 66 HD12 ILE 9 HD12 ILE 9 7.711 0.427 -8.649 67 HD13 ILE 9 HD13 ILE 9 8.057 -1.052 -9.546 68 H LEU 10 HN LEU 10 6.268 1.678 -8.112 69 HA LEU 10 HA LEU 10 6.822 3.231 -5.702 70 HB2 LEU 10 HB2 LEU 10 4.924 0.982 -5.530 71 HB3 LEU 10 HB1 LEU 10 4.756 2.633 -4.969 72 HG LEU 10 HG LEU 10 4.487 3.129 -7.554 73 HD11 LEU 10 HD11 LEU 10 3.028 0.590 -7.659 74 HD12 LEU 10 HD12 LEU 10 4.785 0.431 -7.699 75 HD13 LEU 10 HD13 LEU 10 3.962 1.421 -8.904 76 HD21 LEU 10 HD21 LEU 10 2.317 3.511 -7.072 77 HD22 LEU 10 HD22 LEU 10 2.834 3.121 -5.432 78 HD23 LEU 10 HD23 LEU 10 2.062 1.889 -6.429 79 H GLU 11 HN GLU 11 9.033 2.063 -6.220 80 HA GLU 11 HA GLU 11 9.089 -0.389 -4.590 81 HB2 GLU 11 HB2 GLU 11 10.795 0.251 -6.995 82 HB3 GLU 11 HB1 GLU 11 10.973 -1.169 -5.976 83 HG2 GLU 11 HG2 GLU 11 8.300 -0.702 -7.127 84 HG3 GLU 11 HG1 GLU 11 9.580 -1.149 -8.254 85 H GLN 12 HN GLN 12 10.906 2.490 -5.638 86 HA GLN 12 HA GLN 12 13.102 2.097 -3.891 87 HB2 GLN 12 HB2 GLN 12 13.126 3.702 -5.760 88 HB3 GLN 12 HB1 GLN 12 11.981 4.714 -4.899 89 HG2 GLN 12 HG2 GLN 12 13.692 5.766 -3.978 90 HG3 GLN 12 HG1 GLN 12 14.082 4.282 -3.113 91 HE21 GLN 12 HE21 GLN 12 15.942 3.296 -3.545 92 HE22 GLN 12 HE22 GLN 12 17.011 3.702 -4.840 93 H GLY 13 HN GLY 13 11.230 1.367 -2.156 94 HA2 GLY 13 HA2 GLY 13 10.221 1.783 -0.129 95 HA3 GLY 13 HA1 GLY 13 11.647 2.770 0.144 96 H GLU 14 HN GLU 14 9.383 3.564 -2.377 97 HA GLU 14 HA GLU 14 8.723 6.026 -0.947 98 HB2 GLU 14 HB2 GLU 14 8.179 5.321 -3.831 99 HB3 GLU 14 HB1 GLU 14 8.091 6.915 -3.100 100 HG2 GLU 14 HG2 GLU 14 10.525 5.265 -3.672 101 HG3 GLU 14 HG1 GLU 14 10.108 6.851 -4.305 102 H ASP 15 HN ASP 15 6.990 3.728 -3.048 103 HA ASP 15 HA ASP 15 4.965 2.686 -2.741 104 HB2 ASP 15 HB2 ASP 15 4.435 4.418 -0.332 105 HB3 ASP 15 HB1 ASP 15 3.706 2.868 -0.741 106 H CYS 16 HN CYS 16 5.584 5.614 -3.760 107 HA CYS 16 HA CYS 16 3.218 6.025 -5.117 108 HB2 CYS 16 HB2 CYS 16 3.149 7.057 -2.388 109 HB3 CYS 16 HB1 CYS 16 2.811 8.294 -3.592 110 H ASP 17 HN ASP 17 4.973 6.361 -6.595 111 HA ASP 17 HA ASP 17 5.921 9.142 -6.521 112 HB2 ASP 17 HB2 ASP 17 7.846 7.887 -5.923 113 HB3 ASP 17 HB1 ASP 17 7.519 6.661 -7.144 114 H CYS 18 HN CYS 18 6.519 10.005 -8.600 115 HA CYS 18 HA CYS 18 5.087 8.750 -10.848 116 HB2 CYS 18 HB2 CYS 18 5.210 11.661 -10.053 117 HB3 CYS 18 HB1 CYS 18 4.684 11.123 -11.641 118 H GLY 19 HN GLY 19 6.327 8.393 -12.601 119 HA2 GLY 19 HA2 GLY 19 9.031 8.610 -12.749 120 HA3 GLY 19 HA1 GLY 19 8.002 8.658 -14.172 121 H SER 20 HN SER 20 6.712 11.143 -13.503 122 HA SER 20 HA SER 20 8.915 13.068 -13.534 123 HB2 SER 20 HB2 SER 20 7.013 12.511 -15.741 124 HB3 SER 20 HB1 SER 20 7.332 14.210 -15.393 125 HG SER 20 HG SER 20 9.625 13.582 -15.507 126 HA PRO 21 HA PRO 21 6.123 14.802 -10.450 127 HB2 PRO 21 HB2 PRO 21 7.434 17.281 -10.463 128 HB3 PRO 21 HB1 PRO 21 7.768 15.930 -9.377 129 HG2 PRO 21 HG2 PRO 21 9.175 16.755 -11.867 130 HG3 PRO 21 HG1 PRO 21 9.832 16.039 -10.384 131 HD2 PRO 21 HD2 PRO 21 9.530 14.596 -12.620 132 HD3 PRO 21 HD1 PRO 21 9.247 13.886 -11.016 133 H ALA 22 HN ALA 22 6.925 16.145 -13.567 134 HA ALA 22 HA ALA 22 4.790 18.104 -13.483 135 HB1 ALA 22 HB1 ALA 22 6.751 17.307 -15.625 136 HB2 ALA 22 HB2 ALA 22 6.738 18.784 -14.660 137 HB3 ALA 22 HB3 ALA 22 5.484 18.509 -15.869 138 H ASN 23 HN ASN 23 5.376 14.897 -14.704 139 HA ASN 23 HA ASN 23 2.730 14.879 -15.989 140 HB2 ASN 23 HB2 ASN 23 5.147 13.108 -16.387 141 HB3 ASN 23 HB1 ASN 23 3.568 12.761 -17.085 142 HD21 ASN 23 HD21 ASN 23 6.436 13.817 -17.917 143 HD22 ASN 23 HD22 ASN 23 6.037 14.986 -19.124 144 H CYS 24 HN CYS 24 3.474 14.577 -13.088 145 HA CYS 24 HA CYS 24 3.171 11.937 -12.246 146 HB2 CYS 24 HB2 CYS 24 3.957 13.799 -10.816 147 HB3 CYS 24 HB1 CYS 24 2.322 14.449 -10.800 148 H GLN 25 HN GLN 25 1.550 11.034 -13.547 149 HA GLN 25 HA GLN 25 -1.158 12.030 -13.371 150 HB2 GLN 25 HB2 GLN 25 -1.717 10.132 -14.829 151 HB3 GLN 25 HB1 GLN 25 -0.377 11.072 -15.470 152 HG2 GLN 25 HG2 GLN 25 1.202 9.416 -14.693 153 HG3 GLN 25 HG1 GLN 25 -0.100 8.494 -13.941 154 HE21 GLN 25 HE21 GLN 25 -0.370 6.702 -15.059 155 HE22 GLN 25 HE22 GLN 25 -0.466 6.580 -16.780 156 H ASP 26 HN ASP 26 -0.301 11.481 -10.837 157 HA ASP 26 HA ASP 26 -2.097 9.315 -10.083 158 HB2 ASP 26 HB2 ASP 26 0.556 8.768 -10.155 159 HB3 ASP 26 HB1 ASP 26 0.417 9.411 -8.522 160 H ARG 27 HN ARG 27 -3.538 10.738 -9.208 161 HA ARG 27 HA ARG 27 -2.870 12.973 -7.642 162 HB2 ARG 27 HB2 ARG 27 -5.206 13.111 -7.117 163 HB3 ARG 27 HB1 ARG 27 -5.044 12.609 -8.794 164 HG2 ARG 27 HG2 ARG 27 -5.209 10.201 -7.658 165 HG3 ARG 27 HG1 ARG 27 -6.113 11.137 -6.465 166 HD2 ARG 27 HD2 ARG 27 -6.772 11.652 -9.295 167 HD3 ARG 27 HD1 ARG 27 -7.215 10.062 -8.676 168 HE ARG 27 HE ARG 27 -8.045 12.098 -6.890 169 HH11 ARG 27 HH11 ARG 27 -8.848 10.642 -9.959 170 HH12 ARG 27 HH12 ARG 27 -10.529 11.041 -9.850 171 HH21 ARG 27 HH21 ARG 27 -10.257 12.623 -6.745 172 HH22 ARG 27 HH22 ARG 27 -11.329 12.167 -8.026 173 H CYS 28 HN CYS 28 -2.997 9.624 -6.867 174 HA CYS 28 HA CYS 28 -3.117 10.179 -3.997 175 HB2 CYS 28 HB2 CYS 28 -3.429 7.698 -5.654 176 HB3 CYS 28 HB1 CYS 28 -3.037 7.568 -3.942 177 H CYS 29 HN CYS 29 -0.820 9.779 -6.424 178 HA CYS 29 HA CYS 29 1.259 9.240 -4.415 179 HB2 CYS 29 HB2 CYS 29 1.145 8.114 -7.221 180 HB3 CYS 29 HB1 CYS 29 2.513 7.957 -6.128 181 H ASN 30 HN ASN 30 2.747 10.804 -4.340 182 HA ASN 30 HA ASN 30 2.988 12.585 -6.679 183 HB2 ASN 30 HB2 ASN 30 2.108 13.763 -4.766 184 HB3 ASN 30 HB1 ASN 30 3.406 13.162 -3.743 185 HD21 ASN 30 HD21 ASN 30 4.563 14.873 -3.203 186 HD22 ASN 30 HD22 ASN 30 5.195 16.050 -4.297 187 H ALA 31 HN ALA 31 4.894 12.914 -7.620 188 HA ALA 31 HA ALA 31 7.099 11.199 -6.993 189 HB1 ALA 31 HB1 ALA 31 6.526 13.262 -9.071 190 HB2 ALA 31 HB2 ALA 31 6.936 11.561 -9.260 191 HB3 ALA 31 HB3 ALA 31 8.187 12.722 -8.828 192 H ALA 32 HN ALA 32 6.444 14.658 -6.730 193 HA ALA 32 HA ALA 32 8.957 15.559 -5.962 194 HB1 ALA 32 HB1 ALA 32 7.171 17.114 -4.508 195 HB2 ALA 32 HB2 ALA 32 6.248 16.566 -5.907 196 HB3 ALA 32 HB3 ALA 32 7.767 17.431 -6.137 197 H THR 33 HN THR 33 6.758 13.573 -4.242 198 HA THR 33 HA THR 33 8.326 13.938 -1.776 199 HB THR 33 HB THR 33 5.905 14.650 -1.655 200 HG1 THR 33 HG1 THR 33 6.622 12.450 -0.017 201 HG21 THR 33 HG21 THR 33 4.145 13.189 -1.799 202 HG22 THR 33 HG22 THR 33 5.158 11.768 -1.544 203 HG23 THR 33 HG23 THR 33 5.184 12.602 -3.097 204 H CYS 34 HN CYS 34 7.191 11.785 -4.204 205 HA CYS 34 HA CYS 34 7.392 9.558 -4.541 206 HB2 CYS 34 HB2 CYS 34 9.842 10.371 -3.126 207 HB3 CYS 34 HB1 CYS 34 9.469 8.659 -2.990 208 H LYS 35 HN LYS 35 5.394 10.065 -2.983 209 HA LYS 35 HA LYS 35 4.965 7.761 -1.463 210 HB2 LYS 35 HB2 LYS 35 6.023 8.277 0.454 211 HB3 LYS 35 HB1 LYS 35 6.262 9.946 -0.036 212 HG2 LYS 35 HG2 LYS 35 4.012 10.500 0.735 213 HG3 LYS 35 HG1 LYS 35 3.765 8.820 1.219 214 HD2 LYS 35 HD2 LYS 35 6.182 10.131 2.288 215 HD3 LYS 35 HD1 LYS 35 4.641 10.746 2.888 216 HE2 LYS 35 HE2 LYS 35 4.206 8.090 3.065 217 HE3 LYS 35 HE1 LYS 35 5.949 8.140 3.326 218 HZ1 LYS 35 HZ1 LYS 35 4.363 8.363 5.329 219 HZ2 LYS 35 HZ2 LYS 35 4.186 9.966 4.819 220 HZ3 LYS 35 HZ3 LYS 35 5.715 9.377 5.239 221 H LEU 36 HN LEU 36 2.865 7.861 -0.275 222 HA LEU 36 HA LEU 36 0.828 8.837 -1.849 223 HB2 LEU 36 HB2 LEU 36 0.811 8.231 1.105 224 HB3 LEU 36 HB1 LEU 36 -0.635 8.513 0.154 225 HG LEU 36 HG LEU 36 1.186 6.402 -0.841 226 HD11 LEU 36 HD11 LEU 36 1.300 5.931 1.518 227 HD12 LEU 36 HD12 LEU 36 0.242 4.753 0.741 228 HD13 LEU 36 HD13 LEU 36 -0.450 6.083 1.670 229 HD21 LEU 36 HD21 LEU 36 -1.797 6.431 -0.434 230 HD22 LEU 36 HD22 LEU 36 -0.858 5.348 -1.461 231 HD23 LEU 36 HD23 LEU 36 -0.998 7.057 -1.876 232 H THR 37 HN THR 37 -0.428 10.646 -1.909 233 HA THR 37 HA THR 37 0.674 13.011 -0.621 234 HB THR 37 HB THR 37 -0.564 14.286 -2.177 235 HG1 THR 37 HG1 THR 37 -2.273 13.423 -3.365 236 HG21 THR 37 HG21 THR 37 1.236 12.720 -3.166 237 HG22 THR 37 HG22 THR 37 0.128 13.562 -4.250 238 HG23 THR 37 HG23 THR 37 -0.139 11.862 -3.862 239 HA PRO 38 HA PRO 38 -2.256 13.713 2.579 240 HB2 PRO 38 HB2 PRO 38 -3.131 16.200 1.186 241 HB3 PRO 38 HB1 PRO 38 -2.584 15.976 2.852 242 HG2 PRO 38 HG2 PRO 38 -0.982 17.084 1.040 243 HG3 PRO 38 HG1 PRO 38 -0.342 15.961 2.254 244 HD2 PRO 38 HD2 PRO 38 -0.892 15.510 -0.644 245 HD3 PRO 38 HD1 PRO 38 0.411 14.863 0.373 246 H GLY 39 HN GLY 39 -3.998 12.434 2.650 247 HA2 GLY 39 HA2 GLY 39 -6.434 12.438 2.414 248 HA3 GLY 39 HA1 GLY 39 -6.203 13.006 0.768 249 H SER 40 HN SER 40 -3.930 11.125 0.379 250 HA SER 40 HA SER 40 -5.550 8.714 -0.071 251 HB2 SER 40 HB2 SER 40 -4.028 8.180 -1.888 252 HB3 SER 40 HB1 SER 40 -4.610 9.833 -2.089 253 HG SER 40 HG SER 40 -2.129 9.060 -2.029 254 H GLN 41 HN GLN 41 -5.001 6.828 0.843 255 HA GLN 41 HA GLN 41 -2.488 6.744 2.378 256 HB2 GLN 41 HB2 GLN 41 -5.233 5.719 2.943 257 HB3 GLN 41 HB1 GLN 41 -3.860 4.828 3.585 258 HG2 GLN 41 HG2 GLN 41 -3.077 7.042 4.555 259 HG3 GLN 41 HG1 GLN 41 -4.685 7.651 4.166 260 HE21 GLN 41 HE21 GLN 41 -6.010 7.621 5.819 261 HE22 GLN 41 HE22 GLN 41 -6.028 6.460 7.099 262 H CYS 42 HN CYS 42 -4.449 5.150 -0.002 263 HA CYS 42 HA CYS 42 -2.385 3.057 -0.243 264 HB2 CYS 42 HB2 CYS 42 -3.899 1.411 -0.314 265 HB3 CYS 42 HB1 CYS 42 -4.941 2.560 0.507 266 H ASN 43 HN ASN 43 -2.650 1.954 -2.459 267 HA ASN 43 HA ASN 43 -3.619 3.241 -4.712 268 HB2 ASN 43 HB2 ASN 43 -2.076 5.057 -4.226 269 HB3 ASN 43 HB1 ASN 43 -0.730 3.924 -4.115 270 HD21 ASN 43 HD21 ASN 43 0.290 3.284 -5.933 271 HD22 ASN 43 HD22 ASN 43 -0.114 3.833 -7.521 272 H TYR 44 HN TYR 44 -1.169 1.262 -3.232 273 HA TYR 44 HA TYR 44 -1.628 -0.828 -5.158 274 HB2 TYR 44 HB2 TYR 44 0.262 -0.655 -6.356 275 HB3 TYR 44 HB1 TYR 44 0.537 0.903 -5.589 276 HD1 TYR 44 HD2 TYR 44 1.133 -2.738 -5.047 277 HD2 TYR 44 HD1 TYR 44 2.489 1.237 -4.378 278 HE1 TYR 44 HE2 TYR 44 3.183 -3.619 -4.025 279 HE2 TYR 44 HE1 TYR 44 4.549 0.369 -3.355 280 HH TYR 44 HH TYR 44 4.928 -2.619 -2.235 281 H GLY 45 HN GLY 45 -1.873 -2.613 -3.974 282 HA2 GLY 45 HA2 GLY 45 -0.333 -4.020 -2.407 283 HA3 GLY 45 HA1 GLY 45 -0.667 -2.698 -1.301 284 H GLU 46 HN GLU 46 -1.295 -5.298 -0.659 285 HA GLU 46 HA GLU 46 -3.874 -6.170 -1.282 286 HB2 GLU 46 HB2 GLU 46 -1.879 -6.705 0.823 287 HB3 GLU 46 HB1 GLU 46 -3.540 -7.083 1.257 288 HG2 GLU 46 HG2 GLU 46 -2.290 -8.996 0.326 289 HG3 GLU 46 HG1 GLU 46 -3.748 -8.593 -0.581 290 H CYS 47 HN CYS 47 -2.749 -4.144 1.401 291 HA CYS 47 HA CYS 47 -5.304 -3.870 2.606 292 HB2 CYS 47 HB2 CYS 47 -2.612 -2.700 2.971 293 HB3 CYS 47 HB1 CYS 47 -3.961 -1.755 3.587 294 H CYS 48 HN CYS 48 -3.901 -2.357 -0.130 295 HA CYS 48 HA CYS 48 -5.144 0.157 0.054 296 HB2 CYS 48 HB2 CYS 48 -3.282 -0.128 -1.429 297 HB3 CYS 48 HB1 CYS 48 -4.110 -1.409 -2.308 298 H ASP 49 HN ASP 49 -7.132 0.799 -0.276 299 HA ASP 49 HA ASP 49 -8.897 -0.551 -2.118 300 HB2 ASP 49 HB2 ASP 49 -8.998 -1.464 0.441 301 HB3 ASP 49 HB1 ASP 49 -10.169 -0.151 0.521 302 H GLN 50 HN GLN 50 -9.538 1.129 -3.300 303 HA GLN 50 HA GLN 50 -10.449 3.126 -3.900 304 HB2 GLN 50 HB2 GLN 50 -11.996 2.324 -1.863 305 HB3 GLN 50 HB1 GLN 50 -11.332 3.783 -1.140 306 HG2 GLN 50 HG2 GLN 50 -12.481 3.915 -3.883 307 HG3 GLN 50 HG1 GLN 50 -13.562 3.854 -2.492 308 HE21 GLN 50 HE21 GLN 50 -11.954 5.861 -4.540 309 HE22 GLN 50 HE22 GLN 50 -11.917 7.292 -3.574 310 H CYS 51 HN CYS 51 -7.762 3.121 -3.323 311 HA CYS 51 HA CYS 51 -5.995 4.493 -2.923 312 HB2 CYS 51 HB2 CYS 51 -8.183 6.241 -3.666 313 HB3 CYS 51 HB1 CYS 51 -7.055 7.048 -2.583 314 H ARG 52 HN ARG 52 -7.731 3.424 -0.663 315 HA ARG 52 HA ARG 52 -6.395 4.937 1.445 316 HB2 ARG 52 HB2 ARG 52 -9.363 4.364 1.397 317 HB3 ARG 52 HB1 ARG 52 -8.486 4.904 2.822 318 HG2 ARG 52 HG2 ARG 52 -8.422 6.488 0.283 319 HG3 ARG 52 HG1 ARG 52 -9.758 6.641 1.425 320 HD2 ARG 52 HD2 ARG 52 -6.879 6.938 2.243 321 HD3 ARG 52 HD1 ARG 52 -7.849 8.296 1.674 322 HE ARG 52 HE ARG 52 -9.187 6.926 3.758 323 HH11 ARG 52 HH11 ARG 52 -6.529 9.113 3.181 324 HH12 ARG 52 HH12 ARG 52 -6.616 9.832 4.754 325 HH21 ARG 52 HH21 ARG 52 -9.302 7.871 5.827 326 HH22 ARG 52 HH22 ARG 52 -8.190 9.127 6.257 327 H PHE 53 HN PHE 53 -5.567 3.632 2.992 328 HA PHE 53 HA PHE 53 -5.423 0.883 2.641 329 HB2 PHE 53 HB2 PHE 53 -4.924 2.605 5.061 330 HB3 PHE 53 HB1 PHE 53 -4.693 0.859 5.104 331 HD1 PHE 53 HD2 PHE 53 -3.632 0.530 2.296 332 HD2 PHE 53 HD1 PHE 53 -2.706 3.308 5.382 333 HE1 PHE 53 HE2 PHE 53 -1.384 0.802 1.365 334 HE2 PHE 53 HE1 PHE 53 -0.443 3.587 4.452 335 HZ PHE 53 HZ PHE 53 0.223 2.332 2.439 336 H LYS 54 HN LYS 54 -6.435 -0.868 3.493 337 HA LYS 54 HA LYS 54 -9.178 -0.593 4.143 338 HB2 LYS 54 HB2 LYS 54 -7.241 -2.813 3.890 339 HB3 LYS 54 HB1 LYS 54 -8.609 -3.120 4.951 340 HG2 LYS 54 HG2 LYS 54 -10.060 -3.262 3.251 341 HG3 LYS 54 HG1 LYS 54 -9.318 -1.924 2.373 342 HD2 LYS 54 HD2 LYS 54 -7.456 -3.475 1.750 343 HD3 LYS 54 HD1 LYS 54 -8.387 -4.790 2.471 344 HE2 LYS 54 HE2 LYS 54 -10.240 -3.659 0.839 345 HE3 LYS 54 HE1 LYS 54 -8.761 -3.378 -0.079 346 HZ1 LYS 54 HZ1 LYS 54 -9.751 -6.000 0.904 347 HZ2 LYS 54 HZ2 LYS 54 -8.274 -5.763 0.115 348 HZ3 LYS 54 HZ3 LYS 54 -9.725 -5.473 -0.704 349 H LYS 55 HN LYS 55 -9.908 0.200 6.001 350 HA LYS 55 HA LYS 55 -8.634 0.806 8.284 351 HB2 LYS 55 HB2 LYS 55 -11.002 1.319 7.850 352 HB3 LYS 55 HB1 LYS 55 -11.420 -0.361 8.161 353 HG2 LYS 55 HG2 LYS 55 -10.596 -0.114 10.467 354 HG3 LYS 55 HG1 LYS 55 -10.261 1.588 10.142 355 HD2 LYS 55 HD2 LYS 55 -12.337 1.887 10.972 356 HD3 LYS 55 HD1 LYS 55 -12.837 1.432 9.342 357 HE2 LYS 55 HE2 LYS 55 -13.625 -0.580 10.001 358 HE3 LYS 55 HE1 LYS 55 -12.356 -0.799 11.206 359 HZ1 LYS 55 HZ1 LYS 55 -13.652 1.093 12.413 360 HZ2 LYS 55 HZ2 LYS 55 -14.181 -0.509 12.526 361 HZ3 LYS 55 HZ3 LYS 55 -14.944 0.559 11.460 362 H ALA 56 HN ALA 56 -7.558 -0.211 9.838 363 HA ALA 56 HA ALA 56 -6.779 -2.771 9.919 364 HB1 ALA 56 HB1 ALA 56 -6.821 -2.500 12.518 365 HB2 ALA 56 HB2 ALA 56 -7.282 -0.840 12.134 366 HB3 ALA 56 HB3 ALA 56 -5.758 -1.494 11.533 367 H GLY 57 HN GLY 57 -7.630 -4.715 10.242 368 HA2 GLY 57 HA2 GLY 57 -9.147 -6.114 11.607 369 HA3 GLY 57 HA1 GLY 57 -10.350 -4.844 11.405 370 H THR 58 HN THR 58 -9.079 -4.669 8.537 371 HA THR 58 HA THR 58 -11.073 -6.331 7.300 372 HB THR 58 HB THR 58 -8.838 -4.692 6.078 373 HG1 THR 58 HG1 THR 58 -10.165 -3.239 6.948 374 HG21 THR 58 HG21 THR 58 -10.419 -6.587 4.825 375 HG22 THR 58 HG22 THR 58 -9.490 -5.297 4.056 376 HG23 THR 58 HG23 THR 58 -11.190 -5.045 4.453 377 H VAL 59 HN VAL 59 -10.751 -8.473 7.191 378 HA VAL 59 HA VAL 59 -8.206 -9.699 7.314 379 HB VAL 59 HB VAL 59 -10.263 -10.838 8.052 380 HG11 VAL 59 HG11 VAL 59 -11.958 -11.542 6.639 381 HG12 VAL 59 HG12 VAL 59 -10.955 -11.391 5.196 382 HG13 VAL 59 HG13 VAL 59 -11.562 -9.945 6.002 383 HG21 VAL 59 HG21 VAL 59 -9.722 -13.031 7.215 384 HG22 VAL 59 HG22 VAL 59 -8.232 -12.117 7.443 385 HG23 VAL 59 HG23 VAL 59 -8.893 -12.335 5.823 386 H CYS 60 HN CYS 60 -6.727 -9.869 5.764 387 HA CYS 60 HA CYS 60 -7.616 -9.731 2.957 388 HB2 CYS 60 HB2 CYS 60 -4.809 -9.295 3.960 389 HB3 CYS 60 HB1 CYS 60 -5.452 -8.908 2.370 390 H ARG 61 HN ARG 61 -6.059 -11.719 5.301 391 HA ARG 61 HA ARG 61 -5.887 -13.898 3.387 392 HB2 ARG 61 HB2 ARG 61 -3.545 -12.450 4.420 393 HB3 ARG 61 HB1 ARG 61 -3.450 -14.195 4.598 394 HG2 ARG 61 HG2 ARG 61 -4.051 -14.308 2.123 395 HG3 ARG 61 HG1 ARG 61 -3.683 -12.581 2.084 396 HD2 ARG 61 HD2 ARG 61 -1.847 -14.865 2.760 397 HD3 ARG 61 HD1 ARG 61 -1.692 -13.695 1.451 398 HE ARG 61 HE ARG 61 -0.954 -13.329 4.224 399 HH11 ARG 61 HH11 ARG 61 -1.604 -11.783 1.162 400 HH12 ARG 61 HH12 ARG 61 -0.708 -10.355 1.557 401 HH21 ARG 61 HH21 ARG 61 0.212 -11.460 4.745 402 HH22 ARG 61 HH22 ARG 61 0.325 -10.171 3.591 403 H ILE 62 HN ILE 62 -4.881 -15.889 4.601 404 HA ILE 62 HA ILE 62 -5.314 -16.015 7.426 405 HB ILE 62 HB ILE 62 -6.906 -18.167 6.523 406 HG12 ILE 62 HG12 ILE 62 -7.231 -16.521 4.525 407 HG13 ILE 62 HG11 ILE 62 -8.630 -17.316 5.234 408 HG21 ILE 62 HG21 ILE 62 -8.548 -17.258 8.018 409 HG22 ILE 62 HG22 ILE 62 -7.755 -15.683 7.989 410 HG23 ILE 62 HG23 ILE 62 -6.939 -17.069 8.715 411 HD11 ILE 62 HD11 ILE 62 -8.174 -14.569 4.871 412 HD12 ILE 62 HD12 ILE 62 -8.180 -14.872 6.607 413 HD13 ILE 62 HD13 ILE 62 -9.558 -15.362 5.622 414 H ALA 63 HN ALA 63 -4.007 -17.527 8.239 415 HA ALA 63 HA ALA 63 -2.175 -18.921 6.724 416 HB1 ALA 63 HB1 ALA 63 -1.354 -19.337 8.748 417 HB2 ALA 63 HB2 ALA 63 -2.671 -20.470 9.051 418 HB3 ALA 63 HB3 ALA 63 -2.856 -18.768 9.476 419 H ARG 64 HN ARG 64 -4.956 -20.380 8.391 420 HA ARG 64 HA ARG 64 -6.172 -21.640 6.307 421 HB2 ARG 64 HB2 ARG 64 -3.684 -22.754 6.435 422 HB3 ARG 64 HB1 ARG 64 -4.614 -23.875 7.411 423 HG2 ARG 64 HG2 ARG 64 -4.483 -24.545 5.053 424 HG3 ARG 64 HG1 ARG 64 -6.141 -24.266 5.589 425 HD2 ARG 64 HD2 ARG 64 -6.311 -22.258 4.413 426 HD3 ARG 64 HD1 ARG 64 -4.562 -22.092 4.263 427 HE ARG 64 HE ARG 64 -5.112 -24.358 2.875 428 HH11 ARG 64 HH11 ARG 64 -6.336 -21.092 2.749 429 HH12 ARG 64 HH12 ARG 64 -6.684 -21.155 1.054 430 HH21 ARG 64 HH21 ARG 64 -5.569 -24.443 0.646 431 HH22 ARG 64 HH22 ARG 64 -6.250 -23.057 -0.140 432 H GLY 65 HN GLY 65 -7.586 -20.812 8.098 433 HA2 GLY 65 HA2 GLY 65 -9.208 -22.596 9.196 434 HA3 GLY 65 HA1 GLY 65 -7.881 -22.652 10.346 435 H ASP 66 HN ASP 66 -8.006 -21.331 12.025 436 HA ASP 66 HA ASP 66 -8.927 -18.655 11.849 437 HB2 ASP 66 HB2 ASP 66 -11.005 -20.419 12.001 438 HB3 ASP 66 HB1 ASP 66 -10.727 -20.064 13.703 439 H TRP 67 HN TRP 67 -6.826 -18.532 12.792 440 HA TRP 67 HA TRP 67 -6.807 -19.094 15.686 441 HB2 TRP 67 HB2 TRP 67 -4.144 -18.774 14.821 442 HB3 TRP 67 HB1 TRP 67 -4.921 -20.263 15.342 443 HD1 TRP 67 HD1 TRP 67 -4.513 -18.242 12.049 444 HE1 TRP 67 HE1 TRP 67 -4.353 -19.924 10.117 445 HE3 TRP 67 HE3 TRP 67 -5.171 -22.559 14.683 446 HZ2 TRP 67 HZ2 TRP 67 -4.484 -22.710 9.752 447 HZ3 TRP 67 HZ3 TRP 67 -5.141 -24.703 13.468 448 HH2 TRP 67 HH2 TRP 67 -4.804 -24.775 11.049 449 H ASN 68 HN ASN 68 -4.905 -17.169 13.421 450 HA ASN 68 HA ASN 68 -5.333 -14.809 15.131 451 HB2 ASN 68 HB2 ASN 68 -2.995 -15.028 13.264 452 HB3 ASN 68 HB1 ASN 68 -3.157 -14.076 14.735 453 HD21 ASN 68 HD21 ASN 68 -2.813 -17.355 13.505 454 HD22 ASN 68 HD22 ASN 68 -2.033 -17.994 14.908 455 H ASP 69 HN ASP 69 -5.106 -16.060 11.859 456 HA ASP 69 HA ASP 69 -5.921 -15.326 9.870 457 HB2 ASP 69 HB2 ASP 69 -7.648 -13.957 11.859 458 HB3 ASP 69 HB1 ASP 69 -7.704 -13.365 10.202 459 H ASP 70 HN ASP 70 -5.479 -13.806 8.298 460 HA ASP 70 HA ASP 70 -3.548 -11.798 9.034 461 HB2 ASP 70 HB2 ASP 70 -3.427 -13.267 6.950 462 HB3 ASP 70 HB1 ASP 70 -4.710 -12.264 6.295 463 H TYR 71 HN TYR 71 -3.946 -9.698 9.380 464 HA TYR 71 HA TYR 71 -6.432 -8.576 8.302 465 HB2 TYR 71 HB2 TYR 71 -5.583 -8.708 11.162 466 HB3 TYR 71 HB1 TYR 71 -6.578 -7.365 10.600 467 HD1 TYR 71 HD1 TYR 71 -8.741 -7.898 9.448 468 HD2 TYR 71 HD2 TYR 71 -6.552 -10.785 11.648 469 HE1 TYR 71 HE1 TYR 71 -10.763 -9.266 9.618 470 HE2 TYR 71 HE2 TYR 71 -8.555 -12.185 11.826 471 HH TYR 71 HH TYR 71 -11.366 -11.408 11.667 472 H CYS 72 HN CYS 72 -6.483 -6.438 7.887 473 HA CYS 72 HA CYS 72 -4.003 -5.156 7.344 474 HB2 CYS 72 HB2 CYS 72 -6.233 -4.892 6.100 475 HB3 CYS 72 HB1 CYS 72 -6.688 -3.794 7.399 476 H THR 73 HN THR 73 -3.445 -2.968 8.143 477 HA THR 73 HA THR 73 -4.220 -2.632 10.965 478 HB THR 73 HB THR 73 -2.011 -2.092 11.564 479 HG1 THR 73 HG1 THR 73 -0.404 -1.669 10.044 480 HG21 THR 73 HG21 THR 73 -1.224 -4.066 9.506 481 HG22 THR 73 HG22 THR 73 -2.452 -4.545 10.678 482 HG23 THR 73 HG23 THR 73 -0.863 -4.015 11.231 483 H GLY 74 HN GLY 74 -4.802 -1.325 8.120 484 HA2 GLY 74 HA2 GLY 74 -5.309 0.768 7.329 485 HA3 GLY 74 HA1 GLY 74 -5.686 1.133 9.005 486 H LYS 75 HN LYS 75 -2.455 0.215 8.129 487 HA LYS 75 HA LYS 75 -1.621 3.033 8.312 488 HB2 LYS 75 HB2 LYS 75 -0.298 0.647 9.608 489 HB3 LYS 75 HB1 LYS 75 0.383 2.267 9.565 490 HG2 LYS 75 HG2 LYS 75 -2.171 2.621 10.592 491 HG3 LYS 75 HG1 LYS 75 -1.589 1.136 11.346 492 HD2 LYS 75 HD2 LYS 75 0.577 2.504 11.770 493 HD3 LYS 75 HD1 LYS 75 -0.459 3.905 11.492 494 HE2 LYS 75 HE2 LYS 75 -0.505 3.572 13.814 495 HE3 LYS 75 HE1 LYS 75 -2.021 2.889 13.228 496 HZ1 LYS 75 HZ1 LYS 75 -0.546 0.728 13.135 497 HZ2 LYS 75 HZ2 LYS 75 -1.325 1.205 14.559 498 HZ3 LYS 75 HZ3 LYS 75 0.319 1.539 14.343 499 H SER 76 HN SER 76 -1.280 -0.024 6.732 500 HA SER 76 HA SER 76 0.479 1.214 4.773 501 HB2 SER 76 HB2 SER 76 1.233 -1.166 6.443 502 HB3 SER 76 HB1 SER 76 1.890 -0.962 4.819 503 HG SER 76 HG SER 76 3.312 0.050 6.135 504 H SER 77 HN SER 77 0.923 -0.423 2.942 505 HA SER 77 HA SER 77 -1.656 -1.448 2.091 506 HB2 SER 77 HB2 SER 77 0.541 -0.276 0.785 507 HB3 SER 77 HB1 SER 77 0.486 -1.944 0.214 508 HG SER 77 HG SER 77 -0.839 -0.323 -0.942 509 H ASP 78 HN ASP 78 0.406 -2.747 4.088 510 HA ASP 78 HA ASP 78 0.423 -5.398 2.808 511 HB2 ASP 78 HB2 ASP 78 2.281 -4.101 4.776 512 HB3 ASP 78 HB1 ASP 78 2.176 -5.857 4.679 513 H CYS 79 HN CYS 79 -0.830 -6.921 3.621 514 HA CYS 79 HA CYS 79 -2.120 -6.467 6.218 515 HB2 CYS 79 HB2 CYS 79 -3.064 -7.396 3.701 516 HB3 CYS 79 HB1 CYS 79 -3.199 -8.731 4.841 517 HA PRO 80 HA PRO 80 0.901 -9.641 7.477 518 HB2 PRO 80 HB2 PRO 80 0.646 -9.200 10.141 519 HB3 PRO 80 HB1 PRO 80 1.643 -8.188 9.090 520 HG2 PRO 80 HG2 PRO 80 -1.137 -7.708 10.098 521 HG3 PRO 80 HG1 PRO 80 0.229 -6.580 10.006 522 HD2 PRO 80 HD2 PRO 80 -1.753 -6.594 8.172 523 HD3 PRO 80 HD1 PRO 80 -0.075 -6.198 7.750 524 H TRP 81 HN TRP 81 0.580 -11.728 7.922 525 HA TRP 81 HA TRP 81 -1.887 -12.956 8.032 526 HB2 TRP 81 HB2 TRP 81 0.142 -14.403 9.584 527 HB3 TRP 81 HB1 TRP 81 -0.759 -14.909 8.164 528 HD1 TRP 81 HD1 TRP 81 2.476 -13.068 9.145 529 HE1 TRP 81 HE1 TRP 81 4.084 -13.169 7.135 530 HE3 TRP 81 HE3 TRP 81 -0.664 -15.154 5.732 531 HZ2 TRP 81 HZ2 TRP 81 4.014 -14.035 4.449 532 HZ3 TRP 81 HZ3 TRP 81 0.171 -15.599 3.454 533 HH2 TRP 81 HH2 TRP 81 2.468 -15.046 2.827 534 H ASN 82 HN ASN 82 -0.077 -11.518 10.574 535 HA ASN 82 HA ASN 82 -0.708 -10.910 12.698 536 HB2 ASN 82 HB2 ASN 82 -3.122 -11.134 11.751 537 HB3 ASN 82 HB1 ASN 82 -3.122 -12.700 12.558 538 HD21 ASN 82 HD21 ASN 82 -3.841 -9.493 12.889 539 HD22 ASN 82 HD22 ASN 82 -3.900 -9.395 14.613 540 H HIS 83 HN HIS 83 0.761 -13.304 11.735 541 HA HIS 83 HA HIS 83 0.337 -15.212 13.907 542 HB2 HIS 83 HB2 HIS 83 2.135 -15.373 11.474 543 HB3 HIS 83 HB1 HIS 83 1.855 -16.670 12.635 544 HD1 HIS 83 HD1 HIS 83 1.159 -16.700 9.506 545 HD2 HIS 83 HD2 HIS 83 -1.504 -16.150 12.645 546 HE1 HIS 83 HE1 HIS 83 -1.096 -17.348 8.599 547 HE2 HIS 83 HE2 HIS 83 -2.676 -17.091 10.542 Start of MODEL 26 1 H1 SER 1 HT1 SER 1 13.806 -1.046 -15.165 2 H2 SER 1 HT2 SER 1 14.332 -2.120 -13.934 3 H3 SER 1 HT3 SER 1 15.171 -0.648 -14.207 4 HA SER 1 HA SER 1 13.007 0.479 -13.693 5 HB2 SER 1 HB2 SER 1 12.387 -1.955 -12.086 6 HB3 SER 1 HB1 SER 1 11.296 -0.743 -12.758 7 HG SER 1 HG SER 1 11.930 -1.702 -14.865 8 HA PRO 2 HA PRO 2 16.356 0.477 -10.431 9 HB2 PRO 2 HB2 PRO 2 16.871 3.149 -10.650 10 HB3 PRO 2 HB1 PRO 2 17.688 1.916 -11.617 11 HG2 PRO 2 HG2 PRO 2 15.376 3.672 -12.347 12 HG3 PRO 2 HG1 PRO 2 16.800 3.236 -13.312 13 HD2 PRO 2 HD2 PRO 2 14.411 2.043 -13.675 14 HD3 PRO 2 HD1 PRO 2 15.940 1.164 -13.875 15 HA PRO 3 HA PRO 3 13.441 1.920 -7.396 16 HB2 PRO 3 HB2 PRO 3 15.074 1.965 -5.242 17 HB3 PRO 3 HB1 PRO 3 14.478 0.460 -5.950 18 HG2 PRO 3 HG2 PRO 3 17.130 1.803 -6.293 19 HG3 PRO 3 HG1 PRO 3 16.769 0.083 -6.056 20 HD2 PRO 3 HD2 PRO 3 17.317 1.155 -8.489 21 HD3 PRO 3 HD1 PRO 3 16.242 -0.239 -8.269 22 H VAL 4 HN VAL 4 13.936 4.025 -8.889 23 HA VAL 4 HA VAL 4 14.895 6.114 -7.043 24 HB VAL 4 HB VAL 4 14.930 6.258 -10.054 25 HG11 VAL 4 HG11 VAL 4 16.331 8.234 -9.691 26 HG12 VAL 4 HG12 VAL 4 16.137 8.048 -7.948 27 HG13 VAL 4 HG13 VAL 4 14.739 8.423 -8.957 28 HG21 VAL 4 HG21 VAL 4 17.482 6.189 -8.606 29 HG22 VAL 4 HG22 VAL 4 17.012 5.414 -10.119 30 HG23 VAL 4 HG23 VAL 4 16.574 4.678 -8.577 31 H CYS 5 HN CYS 5 13.798 8.090 -6.994 32 HA CYS 5 HA CYS 5 10.967 7.875 -7.529 33 HB2 CYS 5 HB2 CYS 5 12.421 9.205 -5.615 34 HB3 CYS 5 HB1 CYS 5 12.016 10.509 -6.724 35 H GLY 6 HN GLY 6 10.817 7.791 -9.734 36 HA2 GLY 6 HA2 GLY 6 10.184 9.695 -11.363 37 HA3 GLY 6 HA1 GLY 6 11.908 10.043 -11.264 38 H ASN 7 HN ASN 7 10.688 6.808 -11.091 39 HA ASN 7 HA ASN 7 11.535 6.254 -13.847 40 HB2 ASN 7 HB2 ASN 7 13.247 5.593 -12.043 41 HB3 ASN 7 HB1 ASN 7 12.076 4.379 -11.532 42 HD21 ASN 7 HD21 ASN 7 14.424 5.282 -13.868 43 HD22 ASN 7 HD22 ASN 7 14.372 3.832 -14.806 44 H LYS 8 HN LYS 8 9.043 6.494 -11.951 45 HA LYS 8 HA LYS 8 6.907 5.792 -12.236 46 HB2 LYS 8 HB2 LYS 8 7.883 3.296 -13.621 47 HB3 LYS 8 HB1 LYS 8 6.268 3.990 -13.661 48 HG2 LYS 8 HG2 LYS 8 7.579 6.042 -14.706 49 HG3 LYS 8 HG1 LYS 8 8.703 4.760 -15.163 50 HD2 LYS 8 HD2 LYS 8 6.329 3.638 -15.847 51 HD3 LYS 8 HD1 LYS 8 5.993 5.344 -16.146 52 HE2 LYS 8 HE2 LYS 8 8.438 5.113 -17.273 53 HE3 LYS 8 HE1 LYS 8 7.804 3.491 -17.547 54 HZ1 LYS 8 HZ1 LYS 8 7.362 5.461 -19.219 55 HZ2 LYS 8 HZ2 LYS 8 6.058 5.746 -18.180 56 HZ3 LYS 8 HZ3 LYS 8 6.212 4.249 -18.951 57 H ILE 9 HN ILE 9 9.472 3.754 -11.131 58 HA ILE 9 HA ILE 9 7.843 1.987 -9.577 59 HB ILE 9 HB ILE 9 10.794 2.631 -9.351 60 HG12 ILE 9 HG12 ILE 9 10.568 0.064 -10.313 61 HG13 ILE 9 HG11 ILE 9 9.229 0.879 -11.116 62 HG21 ILE 9 HG21 ILE 9 10.400 1.691 -7.310 63 HG22 ILE 9 HG22 ILE 9 10.672 0.232 -8.264 64 HG23 ILE 9 HG23 ILE 9 9.028 0.743 -7.885 65 HD11 ILE 9 HD11 ILE 9 10.908 1.209 -12.624 66 HD12 ILE 9 HD12 ILE 9 12.154 1.321 -11.381 67 HD13 ILE 9 HD13 ILE 9 11.057 2.674 -11.654 68 H LEU 10 HN LEU 10 7.632 2.026 -7.277 69 HA LEU 10 HA LEU 10 7.319 4.659 -6.212 70 HB2 LEU 10 HB2 LEU 10 6.950 1.895 -5.129 71 HB3 LEU 10 HB1 LEU 10 6.875 3.287 -4.064 72 HG LEU 10 HG LEU 10 5.032 4.210 -5.315 73 HD11 LEU 10 HD11 LEU 10 5.672 3.493 -7.529 74 HD12 LEU 10 HD12 LEU 10 4.024 2.968 -7.176 75 HD13 LEU 10 HD13 LEU 10 5.354 1.811 -7.103 76 HD21 LEU 10 HD21 LEU 10 3.540 2.942 -4.234 77 HD22 LEU 10 HD22 LEU 10 4.930 1.991 -3.709 78 HD23 LEU 10 HD23 LEU 10 4.001 1.490 -5.123 79 H GLU 11 HN GLU 11 9.801 4.755 -6.876 80 HA GLU 11 HA GLU 11 12.025 4.698 -6.264 81 HB2 GLU 11 HB2 GLU 11 11.395 6.844 -5.522 82 HB3 GLU 11 HB1 GLU 11 10.538 6.200 -4.128 83 HG2 GLU 11 HG2 GLU 11 12.444 5.871 -2.929 84 HG3 GLU 11 HG1 GLU 11 13.442 5.677 -4.366 85 H GLN 12 HN GLN 12 12.147 2.388 -5.971 86 HA GLN 12 HA GLN 12 12.838 0.555 -4.824 87 HB2 GLN 12 HB2 GLN 12 14.174 2.611 -3.647 88 HB3 GLN 12 HB1 GLN 12 13.349 1.911 -2.265 89 HG2 GLN 12 HG2 GLN 12 14.617 0.062 -2.269 90 HG3 GLN 12 HG1 GLN 12 14.685 -0.017 -4.029 91 HE21 GLN 12 HE21 GLN 12 15.628 2.572 -1.814 92 HE22 GLN 12 HE22 GLN 12 17.286 2.622 -2.296 93 H GLY 13 HN GLY 13 11.623 2.309 -2.010 94 HA2 GLY 13 HA2 GLY 13 9.247 0.608 -1.922 95 HA3 GLY 13 HA1 GLY 13 10.371 0.487 -0.574 96 H GLU 14 HN GLU 14 9.929 3.475 -2.237 97 HA GLU 14 HA GLU 14 9.396 4.980 0.033 98 HB2 GLU 14 HB2 GLU 14 9.295 5.373 -2.892 99 HB3 GLU 14 HB1 GLU 14 8.407 6.541 -1.924 100 HG2 GLU 14 HG2 GLU 14 11.264 5.831 -1.366 101 HG3 GLU 14 HG1 GLU 14 10.811 7.100 -2.499 102 H ASP 15 HN ASP 15 7.202 3.518 -2.278 103 HA ASP 15 HA ASP 15 5.086 2.696 -1.878 104 HB2 ASP 15 HB2 ASP 15 4.806 4.602 0.442 105 HB3 ASP 15 HB1 ASP 15 3.810 3.201 0.070 106 H CYS 16 HN CYS 16 5.893 4.991 -3.528 107 HA CYS 16 HA CYS 16 3.654 5.686 -4.781 108 HB2 CYS 16 HB2 CYS 16 3.689 7.087 -2.215 109 HB3 CYS 16 HB1 CYS 16 3.408 8.140 -3.596 110 H ASP 17 HN ASP 17 4.704 6.159 -6.582 111 HA ASP 17 HA ASP 17 6.035 8.682 -6.821 112 HB2 ASP 17 HB2 ASP 17 7.922 7.448 -5.942 113 HB3 ASP 17 HB1 ASP 17 7.659 6.150 -7.099 114 H CYS 18 HN CYS 18 6.665 9.157 -9.030 115 HA CYS 18 HA CYS 18 5.392 7.430 -11.042 116 HB2 CYS 18 HB2 CYS 18 5.328 10.416 -11.311 117 HB3 CYS 18 HB1 CYS 18 4.315 9.214 -12.098 118 H GLY 19 HN GLY 19 6.050 8.585 -13.328 119 HA2 GLY 19 HA2 GLY 19 8.853 8.156 -13.546 120 HA3 GLY 19 HA1 GLY 19 7.797 8.756 -14.819 121 H SER 20 HN SER 20 6.852 11.080 -13.812 122 HA SER 20 HA SER 20 9.176 12.670 -13.012 123 HB2 SER 20 HB2 SER 20 7.370 13.560 -15.262 124 HB3 SER 20 HB1 SER 20 8.905 14.267 -14.757 125 HG SER 20 HG SER 20 9.740 13.008 -16.210 126 HA PRO 21 HA PRO 21 6.356 14.336 -9.996 127 HB2 PRO 21 HB2 PRO 21 7.865 16.839 -10.633 128 HB3 PRO 21 HB1 PRO 21 7.449 16.147 -9.061 129 HG2 PRO 21 HG2 PRO 21 9.911 15.900 -10.050 130 HG3 PRO 21 HG1 PRO 21 9.148 14.577 -9.150 131 HD2 PRO 21 HD2 PRO 21 9.663 14.833 -12.062 132 HD3 PRO 21 HD1 PRO 21 9.562 13.377 -11.053 133 H ALA 22 HN ALA 22 6.985 16.001 -13.049 134 HA ALA 22 HA ALA 22 4.538 17.542 -12.876 135 HB1 ALA 22 HB1 ALA 22 6.121 18.794 -13.960 136 HB2 ALA 22 HB2 ALA 22 5.296 18.069 -15.340 137 HB3 ALA 22 HB3 ALA 22 6.826 17.399 -14.776 138 H ASN 23 HN ASN 23 5.641 14.568 -14.261 139 HA ASN 23 HA ASN 23 3.121 14.281 -15.748 140 HB2 ASN 23 HB2 ASN 23 5.602 12.577 -16.026 141 HB3 ASN 23 HB1 ASN 23 4.203 12.612 -17.097 142 HD21 ASN 23 HD21 ASN 23 7.223 13.279 -17.238 143 HD22 ASN 23 HD22 ASN 23 7.245 14.766 -18.117 144 H CYS 24 HN CYS 24 3.690 13.899 -12.820 145 HA CYS 24 HA CYS 24 3.741 11.244 -12.084 146 HB2 CYS 24 HB2 CYS 24 3.558 13.642 -10.776 147 HB3 CYS 24 HB1 CYS 24 1.995 12.910 -10.427 148 H GLN 25 HN GLN 25 2.494 10.037 -13.488 149 HA GLN 25 HA GLN 25 -0.302 10.513 -13.861 150 HB2 GLN 25 HB2 GLN 25 -0.306 8.402 -15.073 151 HB3 GLN 25 HB1 GLN 25 1.066 9.386 -15.563 152 HG2 GLN 25 HG2 GLN 25 2.547 8.061 -14.182 153 HG3 GLN 25 HG1 GLN 25 1.183 7.109 -13.598 154 HE21 GLN 25 HE21 GLN 25 0.805 5.272 -14.603 155 HE22 GLN 25 HE22 GLN 25 1.338 4.851 -16.191 156 H ASP 26 HN ASP 26 0.178 10.450 -11.130 157 HA ASP 26 HA ASP 26 -1.584 8.297 -10.334 158 HB2 ASP 26 HB2 ASP 26 1.083 8.672 -8.954 159 HB3 ASP 26 HB1 ASP 26 -0.159 7.496 -8.537 160 H ARG 27 HN ARG 27 -3.121 9.776 -9.766 161 HA ARG 27 HA ARG 27 -2.691 12.189 -8.424 162 HB2 ARG 27 HB2 ARG 27 -4.777 11.460 -9.651 163 HB3 ARG 27 HB1 ARG 27 -5.192 10.513 -8.230 164 HG2 ARG 27 HG2 ARG 27 -4.763 12.889 -7.067 165 HG3 ARG 27 HG1 ARG 27 -5.290 13.426 -8.664 166 HD2 ARG 27 HD2 ARG 27 -7.403 12.656 -8.376 167 HD3 ARG 27 HD1 ARG 27 -6.883 11.281 -7.403 168 HE ARG 27 HE ARG 27 -7.760 13.814 -6.448 169 HH11 ARG 27 HH11 ARG 27 -5.578 11.181 -5.753 170 HH12 ARG 27 HH12 ARG 27 -5.563 11.478 -4.047 171 HH21 ARG 27 HH21 ARG 27 -7.740 14.208 -4.205 172 HH22 ARG 27 HH22 ARG 27 -6.790 13.197 -3.168 173 H CYS 28 HN CYS 28 -2.837 8.942 -7.215 174 HA CYS 28 HA CYS 28 -3.106 9.897 -4.465 175 HB2 CYS 28 HB2 CYS 28 -3.516 7.294 -5.828 176 HB3 CYS 28 HB1 CYS 28 -2.954 7.235 -4.160 177 H CYS 29 HN CYS 29 -0.631 9.413 -6.600 178 HA CYS 29 HA CYS 29 1.254 8.947 -4.396 179 HB2 CYS 29 HB2 CYS 29 1.224 7.613 -7.093 180 HB3 CYS 29 HB1 CYS 29 2.703 7.746 -6.150 181 H ASN 30 HN ASN 30 2.769 10.455 -4.237 182 HA ASN 30 HA ASN 30 3.218 12.208 -6.564 183 HB2 ASN 30 HB2 ASN 30 2.184 13.314 -4.600 184 HB3 ASN 30 HB1 ASN 30 3.588 12.872 -3.639 185 HD21 ASN 30 HD21 ASN 30 4.967 14.457 -3.378 186 HD22 ASN 30 HD22 ASN 30 5.291 15.726 -4.501 187 H ALA 31 HN ALA 31 5.193 12.375 -7.391 188 HA ALA 31 HA ALA 31 7.288 10.662 -6.442 189 HB1 ALA 31 HB1 ALA 31 6.806 11.104 -8.856 190 HB2 ALA 31 HB2 ALA 31 8.493 11.334 -8.396 191 HB3 ALA 31 HB3 ALA 31 7.443 12.732 -8.627 192 H ALA 32 HN ALA 32 6.740 14.148 -6.621 193 HA ALA 32 HA ALA 32 9.195 15.098 -5.781 194 HB1 ALA 32 HB1 ALA 32 8.147 17.058 -5.864 195 HB2 ALA 32 HB2 ALA 32 7.054 16.598 -4.557 196 HB3 ALA 32 HB3 ALA 32 6.666 16.171 -6.224 197 H THR 33 HN THR 33 6.834 13.348 -3.981 198 HA THR 33 HA THR 33 8.287 13.909 -1.479 199 HB THR 33 HB THR 33 5.837 14.559 -1.581 200 HG1 THR 33 HG1 THR 33 6.584 14.298 0.435 201 HG21 THR 33 HG21 THR 33 5.303 12.295 -2.816 202 HG22 THR 33 HG22 THR 33 4.139 13.050 -1.728 203 HG23 THR 33 HG23 THR 33 5.131 11.705 -1.163 204 H CYS 34 HN CYS 34 7.117 11.527 -3.703 205 HA CYS 34 HA CYS 34 7.546 9.324 -3.951 206 HB2 CYS 34 HB2 CYS 34 9.528 9.614 -1.688 207 HB3 CYS 34 HB1 CYS 34 9.480 8.347 -2.906 208 H LYS 35 HN LYS 35 5.426 10.194 -2.393 209 HA LYS 35 HA LYS 35 4.881 7.814 -0.866 210 HB2 LYS 35 HB2 LYS 35 4.765 10.453 0.610 211 HB3 LYS 35 HB1 LYS 35 4.460 8.852 1.263 212 HG2 LYS 35 HG2 LYS 35 6.836 8.286 0.870 213 HG3 LYS 35 HG1 LYS 35 7.107 9.949 0.342 214 HD2 LYS 35 HD2 LYS 35 6.030 9.172 3.050 215 HD3 LYS 35 HD1 LYS 35 7.726 9.530 2.717 216 HE2 LYS 35 HE2 LYS 35 6.900 11.764 1.808 217 HE3 LYS 35 HE1 LYS 35 5.360 11.379 2.575 218 HZ1 LYS 35 HZ1 LYS 35 7.859 11.270 4.132 219 HZ2 LYS 35 HZ2 LYS 35 6.275 11.510 4.674 220 HZ3 LYS 35 HZ3 LYS 35 7.088 12.753 3.866 221 H LEU 36 HN LEU 36 2.620 8.048 0.178 222 HA LEU 36 HA LEU 36 0.768 8.669 -1.832 223 HB2 LEU 36 HB2 LEU 36 0.385 8.220 1.124 224 HB3 LEU 36 HB1 LEU 36 -0.937 8.361 -0.019 225 HG LEU 36 HG LEU 36 1.126 6.321 -0.629 226 HD11 LEU 36 HD11 LEU 36 -0.760 6.143 1.702 227 HD12 LEU 36 HD12 LEU 36 0.978 5.846 1.670 228 HD13 LEU 36 HD13 LEU 36 -0.124 4.716 0.884 229 HD21 LEU 36 HD21 LEU 36 -1.001 6.869 -1.943 230 HD22 LEU 36 HD22 LEU 36 -1.862 6.055 -0.637 231 HD23 LEU 36 HD23 LEU 36 -0.669 5.173 -1.590 232 H THR 37 HN THR 37 -0.297 10.463 -2.363 233 HA THR 37 HA THR 37 0.438 12.967 -1.277 234 HB THR 37 HB THR 37 -1.218 13.908 -2.782 235 HG1 THR 37 HG1 THR 37 -2.979 12.833 -3.058 236 HG21 THR 37 HG21 THR 37 0.824 12.199 -3.650 237 HG22 THR 37 HG22 THR 37 0.043 13.502 -4.545 238 HG23 THR 37 HG23 THR 37 -0.580 11.856 -4.660 239 HA PRO 38 HA PRO 38 -2.215 13.646 2.165 240 HB2 PRO 38 HB2 PRO 38 -3.284 16.135 1.513 241 HB3 PRO 38 HB1 PRO 38 -1.747 15.863 2.338 242 HG2 PRO 38 HG2 PRO 38 -2.281 16.418 -0.546 243 HG3 PRO 38 HG1 PRO 38 -0.954 16.989 0.482 244 HD2 PRO 38 HD2 PRO 38 -0.586 15.020 -1.292 245 HD3 PRO 38 HD1 PRO 38 0.218 14.992 0.292 246 H GLY 39 HN GLY 39 -4.004 12.455 2.344 247 HA2 GLY 39 HA2 GLY 39 -6.474 12.685 2.226 248 HA3 GLY 39 HA1 GLY 39 -6.254 13.053 0.522 249 H SER 40 HN SER 40 -4.118 10.974 0.319 250 HA SER 40 HA SER 40 -5.916 8.650 0.179 251 HB2 SER 40 HB2 SER 40 -4.483 7.810 -1.609 252 HB3 SER 40 HB1 SER 40 -5.012 9.450 -1.987 253 HG SER 40 HG SER 40 -3.015 10.207 -1.569 254 H GLN 41 HN GLN 41 -5.321 6.700 1.037 255 HA GLN 41 HA GLN 41 -2.893 6.719 2.704 256 HB2 GLN 41 HB2 GLN 41 -5.617 5.554 3.103 257 HB3 GLN 41 HB1 GLN 41 -4.238 4.773 3.864 258 HG2 GLN 41 HG2 GLN 41 -3.680 6.841 5.013 259 HG3 GLN 41 HG1 GLN 41 -5.031 7.654 4.223 260 HE21 GLN 41 HE21 GLN 41 -4.722 4.482 5.776 261 HE22 GLN 41 HE22 GLN 41 -6.005 4.719 6.908 262 H CYS 42 HN CYS 42 -4.682 4.998 0.263 263 HA CYS 42 HA CYS 42 -2.523 2.991 0.148 264 HB2 CYS 42 HB2 CYS 42 -3.980 1.295 -0.096 265 HB3 CYS 42 HB1 CYS 42 -5.073 2.384 0.742 266 H ASN 43 HN ASN 43 -2.763 1.848 -2.123 267 HA ASN 43 HA ASN 43 -3.549 3.221 -4.397 268 HB2 ASN 43 HB2 ASN 43 -1.951 4.945 -3.831 269 HB3 ASN 43 HB1 ASN 43 -0.672 3.750 -3.616 270 HD21 ASN 43 HD21 ASN 43 0.467 3.079 -5.345 271 HD22 ASN 43 HD22 ASN 43 0.207 3.631 -6.961 272 H TYR 44 HN TYR 44 -1.320 1.061 -2.832 273 HA TYR 44 HA TYR 44 -1.834 -0.994 -4.750 274 HB2 TYR 44 HB2 TYR 44 0.007 -0.873 -6.024 275 HB3 TYR 44 HB1 TYR 44 0.385 0.662 -5.253 276 HD1 TYR 44 HD1 TYR 44 0.825 -3.010 -4.764 277 HD2 TYR 44 HD2 TYR 44 2.394 0.889 -4.120 278 HE1 TYR 44 HE1 TYR 44 2.868 -3.996 -3.830 279 HE2 TYR 44 HE2 TYR 44 4.449 -0.084 -3.187 280 HH TYR 44 HH TYR 44 5.700 -2.218 -3.313 281 H GLY 45 HN GLY 45 -2.122 -2.740 -3.526 282 HA2 GLY 45 HA2 GLY 45 -0.545 -4.174 -1.992 283 HA3 GLY 45 HA1 GLY 45 -0.854 -2.843 -0.888 284 H GLU 46 HN GLU 46 -1.503 -5.370 -0.141 285 HA GLU 46 HA GLU 46 -4.065 -6.295 -0.751 286 HB2 GLU 46 HB2 GLU 46 -2.202 -6.608 1.560 287 HB3 GLU 46 HB1 GLU 46 -3.853 -7.188 1.727 288 HG2 GLU 46 HG2 GLU 46 -2.246 -8.925 1.017 289 HG3 GLU 46 HG1 GLU 46 -3.584 -8.693 -0.108 290 H CYS 47 HN CYS 47 -2.998 -4.118 1.832 291 HA CYS 47 HA CYS 47 -5.577 -3.788 2.978 292 HB2 CYS 47 HB2 CYS 47 -2.894 -2.571 3.311 293 HB3 CYS 47 HB1 CYS 47 -4.268 -1.638 3.891 294 H CYS 48 HN CYS 48 -4.094 -2.407 0.209 295 HA CYS 48 HA CYS 48 -5.343 0.108 0.236 296 HB2 CYS 48 HB2 CYS 48 -3.416 -0.301 -1.164 297 HB3 CYS 48 HB1 CYS 48 -4.284 -1.546 -2.056 298 H ASP 49 HN ASP 49 -7.310 0.739 -0.187 299 HA ASP 49 HA ASP 49 -9.022 -0.664 -2.033 300 HB2 ASP 49 HB2 ASP 49 -9.210 -1.514 0.539 301 HB3 ASP 49 HB1 ASP 49 -10.365 -0.184 0.561 302 H GLN 50 HN GLN 50 -9.584 0.997 -3.282 303 HA GLN 50 HA GLN 50 -10.448 2.985 -3.970 304 HB2 GLN 50 HB2 GLN 50 -11.671 2.627 -1.288 305 HB3 GLN 50 HB1 GLN 50 -11.742 4.242 -1.979 306 HG2 GLN 50 HG2 GLN 50 -12.692 3.119 -4.062 307 HG3 GLN 50 HG1 GLN 50 -12.919 1.700 -3.041 308 HE21 GLN 50 HE21 GLN 50 -14.991 1.559 -2.568 309 HE22 GLN 50 HE22 GLN 50 -16.001 2.852 -2.027 310 H CYS 51 HN CYS 51 -7.799 2.974 -3.262 311 HA CYS 51 HA CYS 51 -6.042 4.343 -2.817 312 HB2 CYS 51 HB2 CYS 51 -8.210 6.135 -3.597 313 HB3 CYS 51 HB1 CYS 51 -7.014 6.911 -2.565 314 H ARG 52 HN ARG 52 -7.879 3.318 -0.614 315 HA ARG 52 HA ARG 52 -6.618 4.857 1.524 316 HB2 ARG 52 HB2 ARG 52 -9.354 5.118 0.888 317 HB3 ARG 52 HB1 ARG 52 -9.286 4.133 2.342 318 HG2 ARG 52 HG2 ARG 52 -7.617 6.579 2.276 319 HG3 ARG 52 HG1 ARG 52 -9.364 6.781 2.414 320 HD2 ARG 52 HD2 ARG 52 -9.164 4.989 4.282 321 HD3 ARG 52 HD1 ARG 52 -7.458 5.436 4.288 322 HE ARG 52 HE ARG 52 -8.012 7.419 5.295 323 HH11 ARG 52 HH11 ARG 52 -10.910 5.934 4.039 324 HH12 ARG 52 HH12 ARG 52 -11.972 7.062 4.810 325 HH21 ARG 52 HH21 ARG 52 -9.409 8.904 6.311 326 HH22 ARG 52 HH22 ARG 52 -11.121 8.749 6.099 327 H PHE 53 HN PHE 53 -5.917 3.600 3.185 328 HA PHE 53 HA PHE 53 -5.707 0.840 2.861 329 HB2 PHE 53 HB2 PHE 53 -5.338 2.609 5.269 330 HB3 PHE 53 HB1 PHE 53 -5.099 0.866 5.359 331 HD1 PHE 53 HD2 PHE 53 -3.915 0.540 2.572 332 HD2 PHE 53 HD1 PHE 53 -3.121 3.287 5.723 333 HE1 PHE 53 HE2 PHE 53 -1.626 0.813 1.745 334 HE2 PHE 53 HE1 PHE 53 -0.819 3.567 4.898 335 HZ PHE 53 HZ PHE 53 -0.066 2.329 2.906 336 H LYS 54 HN LYS 54 -6.674 -0.913 3.835 337 HA LYS 54 HA LYS 54 -9.475 -0.653 4.305 338 HB2 LYS 54 HB2 LYS 54 -7.509 -2.854 4.161 339 HB3 LYS 54 HB1 LYS 54 -8.903 -3.160 5.186 340 HG2 LYS 54 HG2 LYS 54 -10.309 -3.334 3.447 341 HG3 LYS 54 HG1 LYS 54 -9.533 -2.022 2.556 342 HD2 LYS 54 HD2 LYS 54 -7.616 -3.669 2.161 343 HD3 LYS 54 HD1 LYS 54 -8.740 -4.917 2.703 344 HE2 LYS 54 HE2 LYS 54 -10.264 -3.576 0.899 345 HE3 LYS 54 HE1 LYS 54 -8.661 -3.401 0.187 346 HZ1 LYS 54 HZ1 LYS 54 -10.098 -5.455 -0.384 347 HZ2 LYS 54 HZ2 LYS 54 -9.564 -6.045 1.109 348 HZ3 LYS 54 HZ3 LYS 54 -8.443 -5.658 -0.097 349 H LYS 55 HN LYS 55 -10.228 0.251 6.107 350 HA LYS 55 HA LYS 55 -9.079 0.884 8.432 351 HB2 LYS 55 HB2 LYS 55 -11.435 1.364 7.876 352 HB3 LYS 55 HB1 LYS 55 -11.850 -0.308 8.228 353 HG2 LYS 55 HG2 LYS 55 -12.425 0.645 10.205 354 HG3 LYS 55 HG1 LYS 55 -10.734 0.277 10.550 355 HD2 LYS 55 HD2 LYS 55 -10.079 2.531 10.073 356 HD3 LYS 55 HD1 LYS 55 -11.693 2.926 9.478 357 HE2 LYS 55 HE2 LYS 55 -11.988 3.734 11.558 358 HE3 LYS 55 HE1 LYS 55 -12.286 2.043 11.960 359 HZ1 LYS 55 HZ1 LYS 55 -9.924 1.841 12.543 360 HZ2 LYS 55 HZ2 LYS 55 -10.720 2.987 13.499 361 HZ3 LYS 55 HZ3 LYS 55 -9.708 3.492 12.241 362 H ALA 56 HN ALA 56 -8.103 -0.080 10.084 363 HA ALA 56 HA ALA 56 -7.303 -2.635 10.233 364 HB1 ALA 56 HB1 ALA 56 -7.457 -2.326 12.822 365 HB2 ALA 56 HB2 ALA 56 -7.898 -0.671 12.391 366 HB3 ALA 56 HB3 ALA 56 -6.351 -1.337 11.866 367 H GLY 57 HN GLY 57 -8.120 -4.579 10.639 368 HA2 GLY 57 HA2 GLY 57 -9.696 -5.952 11.949 369 HA3 GLY 57 HA1 GLY 57 -10.899 -4.700 11.659 370 H THR 58 HN THR 58 -9.505 -4.583 8.852 371 HA THR 58 HA THR 58 -11.414 -6.320 7.575 372 HB THR 58 HB THR 58 -9.180 -4.645 6.394 373 HG1 THR 58 HG1 THR 58 -10.816 -3.159 5.993 374 HG21 THR 58 HG21 THR 58 -11.448 -5.075 4.687 375 HG22 THR 58 HG22 THR 58 -10.708 -6.609 5.152 376 HG23 THR 58 HG23 THR 58 -9.734 -5.354 4.379 377 H VAL 59 HN VAL 59 -11.059 -8.417 7.177 378 HA VAL 59 HA VAL 59 -8.445 -9.535 7.543 379 HB VAL 59 HB VAL 59 -10.439 -10.761 8.282 380 HG11 VAL 59 HG11 VAL 59 -12.190 -11.301 6.976 381 HG12 VAL 59 HG12 VAL 59 -11.174 -11.642 5.575 382 HG13 VAL 59 HG13 VAL 59 -11.597 -9.977 5.972 383 HG21 VAL 59 HG21 VAL 59 -8.479 -12.068 7.873 384 HG22 VAL 59 HG22 VAL 59 -8.804 -12.108 6.140 385 HG23 VAL 59 HG23 VAL 59 -9.867 -12.965 7.256 386 H CYS 60 HN CYS 60 -6.926 -9.605 6.024 387 HA CYS 60 HA CYS 60 -7.744 -9.512 3.206 388 HB2 CYS 60 HB2 CYS 60 -4.961 -9.134 4.297 389 HB3 CYS 60 HB1 CYS 60 -5.544 -8.729 2.688 390 H ARG 61 HN ARG 61 -6.197 -11.550 5.547 391 HA ARG 61 HA ARG 61 -6.011 -13.675 3.554 392 HB2 ARG 61 HB2 ARG 61 -3.743 -12.245 4.303 393 HB3 ARG 61 HB1 ARG 61 -3.662 -13.709 5.273 394 HG2 ARG 61 HG2 ARG 61 -4.226 -14.823 2.928 395 HG3 ARG 61 HG1 ARG 61 -3.452 -13.353 2.341 396 HD2 ARG 61 HD2 ARG 61 -2.308 -15.650 3.836 397 HD3 ARG 61 HD1 ARG 61 -1.621 -14.708 2.517 398 HE ARG 61 HE ARG 61 -1.110 -14.339 5.246 399 HH11 ARG 61 HH11 ARG 61 -1.782 -12.456 2.381 400 HH12 ARG 61 HH12 ARG 61 -0.975 -11.044 2.973 401 HH21 ARG 61 HH21 ARG 61 -0.055 -12.485 6.022 402 HH22 ARG 61 HH22 ARG 61 0.009 -11.061 5.037 403 H ILE 62 HN ILE 62 -5.011 -15.711 4.834 404 HA ILE 62 HA ILE 62 -5.549 -16.041 7.550 405 HB ILE 62 HB ILE 62 -7.873 -15.724 7.093 406 HG12 ILE 62 HG12 ILE 62 -8.817 -17.900 7.772 407 HG13 ILE 62 HG11 ILE 62 -7.296 -18.683 7.356 408 HG21 ILE 62 HG21 ILE 62 -8.420 -16.021 4.931 409 HG22 ILE 62 HG22 ILE 62 -8.847 -17.644 5.475 410 HG23 ILE 62 HG23 ILE 62 -7.282 -17.352 4.717 411 HD11 ILE 62 HD11 ILE 62 -6.640 -18.350 9.439 412 HD12 ILE 62 HD12 ILE 62 -8.070 -17.377 9.783 413 HD13 ILE 62 HD13 ILE 62 -6.626 -16.617 9.113 414 H ALA 63 HN ALA 63 -4.636 -17.872 8.210 415 HA ALA 63 HA ALA 63 -3.141 -19.457 6.466 416 HB1 ALA 63 HB1 ALA 63 -3.674 -20.895 8.883 417 HB2 ALA 63 HB2 ALA 63 -3.406 -19.189 9.244 418 HB3 ALA 63 HB3 ALA 63 -2.188 -20.105 8.357 419 H ARG 64 HN ARG 64 -5.628 -20.866 8.564 420 HA ARG 64 HA ARG 64 -7.223 -21.915 6.493 421 HB2 ARG 64 HB2 ARG 64 -5.055 -23.230 6.209 422 HB3 ARG 64 HB1 ARG 64 -5.451 -24.008 7.734 423 HG2 ARG 64 HG2 ARG 64 -7.529 -23.990 5.621 424 HG3 ARG 64 HG1 ARG 64 -6.133 -25.047 5.400 425 HD2 ARG 64 HD2 ARG 64 -6.684 -25.671 7.918 426 HD3 ARG 64 HD1 ARG 64 -8.296 -25.145 7.435 427 HE ARG 64 HE ARG 64 -7.095 -27.009 5.607 428 HH11 ARG 64 HH11 ARG 64 -8.969 -26.678 8.532 429 HH12 ARG 64 HH12 ARG 64 -9.694 -28.244 8.393 430 HH21 ARG 64 HH21 ARG 64 -8.048 -29.069 5.423 431 HH22 ARG 64 HH22 ARG 64 -9.171 -29.602 6.629 432 H GLY 65 HN GLY 65 -8.450 -20.836 8.300 433 HA2 GLY 65 HA2 GLY 65 -10.230 -22.329 9.545 434 HA3 GLY 65 HA1 GLY 65 -8.865 -22.551 10.629 435 H ASP 66 HN ASP 66 -8.722 -21.205 12.274 436 HA ASP 66 HA ASP 66 -9.222 -18.423 12.096 437 HB2 ASP 66 HB2 ASP 66 -11.471 -20.138 12.801 438 HB3 ASP 66 HB1 ASP 66 -11.118 -18.958 14.060 439 H TRP 67 HN TRP 67 -7.135 -18.507 13.000 440 HA TRP 67 HA TRP 67 -7.072 -19.186 15.868 441 HB2 TRP 67 HB2 TRP 67 -4.423 -19.095 14.906 442 HB3 TRP 67 HB1 TRP 67 -5.326 -20.517 15.411 443 HD1 TRP 67 HD1 TRP 67 -4.807 -18.439 12.164 444 HE1 TRP 67 HE1 TRP 67 -4.923 -20.054 10.178 445 HE3 TRP 67 HE3 TRP 67 -5.882 -22.737 14.690 446 HZ2 TRP 67 HZ2 TRP 67 -5.396 -22.800 9.732 447 HZ3 TRP 67 HZ3 TRP 67 -6.150 -24.826 13.411 448 HH2 TRP 67 HH2 TRP 67 -5.912 -24.854 10.980 449 H ASN 68 HN ASN 68 -5.055 -17.361 13.617 450 HA ASN 68 HA ASN 68 -5.082 -15.095 15.499 451 HB2 ASN 68 HB2 ASN 68 -3.046 -15.427 13.322 452 HB3 ASN 68 HB1 ASN 68 -2.920 -14.521 14.825 453 HD21 ASN 68 HD21 ASN 68 -3.117 -17.782 13.501 454 HD22 ASN 68 HD22 ASN 68 -2.216 -18.545 14.763 455 H ASP 69 HN ASP 69 -5.444 -16.088 12.163 456 HA ASP 69 HA ASP 69 -6.489 -15.103 10.392 457 HB2 ASP 69 HB2 ASP 69 -7.285 -12.910 12.287 458 HB3 ASP 69 HB1 ASP 69 -8.048 -13.329 10.758 459 H ASP 70 HN ASP 70 -6.523 -13.072 9.088 460 HA ASP 70 HA ASP 70 -4.074 -11.513 9.526 461 HB2 ASP 70 HB2 ASP 70 -3.899 -13.089 7.588 462 HB3 ASP 70 HB1 ASP 70 -5.265 -12.264 6.854 463 H TYR 71 HN TYR 71 -4.544 -9.472 9.988 464 HA TYR 71 HA TYR 71 -6.908 -8.299 8.695 465 HB2 TYR 71 HB2 TYR 71 -6.155 -8.284 11.596 466 HB3 TYR 71 HB1 TYR 71 -7.230 -7.070 10.909 467 HD1 TYR 71 HD2 TYR 71 -9.275 -7.882 9.681 468 HD2 TYR 71 HD1 TYR 71 -7.003 -10.370 12.259 469 HE1 TYR 71 HE2 TYR 71 -11.201 -9.365 9.905 470 HE2 TYR 71 HE1 TYR 71 -8.912 -11.887 12.501 471 HH TYR 71 HH TYR 71 -11.095 -12.380 10.858 472 H CYS 72 HN CYS 72 -6.877 -6.199 8.184 473 HA CYS 72 HA CYS 72 -4.360 -4.957 7.768 474 HB2 CYS 72 HB2 CYS 72 -6.511 -4.685 6.403 475 HB3 CYS 72 HB1 CYS 72 -7.032 -3.569 7.662 476 H THR 73 HN THR 73 -3.818 -2.756 8.568 477 HA THR 73 HA THR 73 -4.731 -2.375 11.344 478 HB THR 73 HB THR 73 -2.547 -1.829 12.039 479 HG1 THR 73 HG1 THR 73 -1.707 -1.849 9.333 480 HG21 THR 73 HG21 THR 73 -1.497 -3.801 10.173 481 HG22 THR 73 HG22 THR 73 -2.983 -4.305 10.977 482 HG23 THR 73 HG23 THR 73 -1.580 -3.830 11.935 483 H GLY 74 HN GLY 74 -5.140 -1.098 8.448 484 HA2 GLY 74 HA2 GLY 74 -5.598 0.989 7.614 485 HA3 GLY 74 HA1 GLY 74 -6.046 1.380 9.267 486 H LYS 75 HN LYS 75 -2.786 0.410 8.591 487 HA LYS 75 HA LYS 75 -1.918 3.217 8.634 488 HB2 LYS 75 HB2 LYS 75 -0.500 1.079 10.209 489 HB3 LYS 75 HB1 LYS 75 -0.290 2.822 10.306 490 HG2 LYS 75 HG2 LYS 75 -2.972 2.398 10.911 491 HG3 LYS 75 HG1 LYS 75 -2.106 1.103 11.739 492 HD2 LYS 75 HD2 LYS 75 -0.937 3.810 11.939 493 HD3 LYS 75 HD1 LYS 75 -2.462 3.548 12.787 494 HE2 LYS 75 HE2 LYS 75 0.100 1.997 13.120 495 HE3 LYS 75 HE1 LYS 75 -0.647 3.082 14.292 496 HZ1 LYS 75 HZ1 LYS 75 -1.461 0.373 13.488 497 HZ2 LYS 75 HZ2 LYS 75 -2.632 1.452 14.060 498 HZ3 LYS 75 HZ3 LYS 75 -1.318 1.034 15.040 499 H SER 76 HN SER 76 -1.919 0.514 6.857 500 HA SER 76 HA SER 76 0.247 1.330 5.233 501 HB2 SER 76 HB2 SER 76 1.876 -0.317 5.616 502 HB3 SER 76 HB1 SER 76 1.380 0.159 7.240 503 HG SER 76 HG SER 76 0.464 -1.739 7.535 504 H SER 77 HN SER 77 0.719 -0.361 3.499 505 HA SER 77 HA SER 77 -1.832 -1.373 2.550 506 HB2 SER 77 HB2 SER 77 -0.912 -1.355 0.427 507 HB3 SER 77 HB1 SER 77 0.035 -0.086 1.201 508 HG SER 77 HG SER 77 1.687 -1.602 1.537 509 H ASP 78 HN ASP 78 0.109 -2.639 4.688 510 HA ASP 78 HA ASP 78 0.175 -5.326 3.494 511 HB2 ASP 78 HB2 ASP 78 1.905 -3.937 5.489 512 HB3 ASP 78 HB1 ASP 78 1.704 -5.680 5.636 513 H CYS 79 HN CYS 79 -0.825 -7.012 4.471 514 HA CYS 79 HA CYS 79 -2.452 -6.394 6.853 515 HB2 CYS 79 HB2 CYS 79 -3.216 -7.367 4.290 516 HB3 CYS 79 HB1 CYS 79 -3.470 -8.667 5.451 517 HA PRO 80 HA PRO 80 0.428 -9.577 8.407 518 HB2 PRO 80 HB2 PRO 80 -0.115 -9.119 11.036 519 HB3 PRO 80 HB1 PRO 80 1.028 -8.151 10.098 520 HG2 PRO 80 HG2 PRO 80 -1.826 -7.566 10.791 521 HG3 PRO 80 HG1 PRO 80 -0.421 -6.484 10.829 522 HD2 PRO 80 HD2 PRO 80 -2.193 -6.452 8.800 523 HD3 PRO 80 HD1 PRO 80 -0.464 -6.141 8.543 524 H TRP 81 HN TRP 81 -0.075 -11.649 8.553 525 HA TRP 81 HA TRP 81 -2.781 -12.438 9.284 526 HB2 TRP 81 HB2 TRP 81 -2.246 -14.610 8.303 527 HB3 TRP 81 HB1 TRP 81 -1.969 -13.294 7.173 528 HD1 TRP 81 HD1 TRP 81 1.031 -12.814 8.862 529 HE1 TRP 81 HE1 TRP 81 2.952 -14.281 7.989 530 HE3 TRP 81 HE3 TRP 81 -1.710 -16.341 6.437 531 HZ2 TRP 81 HZ2 TRP 81 3.252 -16.637 6.460 532 HZ3 TRP 81 HZ3 TRP 81 -0.543 -18.184 5.288 533 HH2 TRP 81 HH2 TRP 81 1.896 -18.327 5.305 534 H ASN 82 HN ASN 82 0.283 -12.365 10.619 535 HA ASN 82 HA ASN 82 1.181 -13.102 12.574 536 HB2 ASN 82 HB2 ASN 82 -1.718 -13.674 13.226 537 HB3 ASN 82 HB1 ASN 82 -0.400 -13.702 14.393 538 HD21 ASN 82 HD21 ASN 82 -2.528 -12.087 14.820 539 HD22 ASN 82 HD22 ASN 82 -2.076 -10.433 14.612 540 H HIS 83 HN HIS 83 1.199 -14.889 10.413 541 HA HIS 83 HA HIS 83 1.119 -17.454 11.849 542 HB2 HIS 83 HB2 HIS 83 0.399 -17.107 8.933 543 HB3 HIS 83 HB1 HIS 83 0.318 -18.593 9.875 544 HD1 HIS 83 HD1 HIS 83 -2.066 -16.925 8.379 545 HD2 HIS 83 HD2 HIS 83 -1.332 -17.270 12.451 546 HE1 HIS 83 HE1 HIS 83 -4.264 -16.444 9.503 547 HE2 HIS 83 HE2 HIS 83 -3.811 -16.757 11.960 Start of MODEL 27 1 H1 SER 1 HT1 SER 1 13.969 -3.388 -12.380 2 H2 SER 1 HT2 SER 1 15.681 -3.514 -12.404 3 H3 SER 1 HT3 SER 1 14.788 -3.640 -13.865 4 HA SER 1 HA SER 1 15.664 -1.536 -13.894 5 HB2 SER 1 HB2 SER 1 12.994 -2.003 -13.973 6 HB3 SER 1 HB1 SER 1 13.060 -0.790 -12.694 7 HG SER 1 HG SER 1 14.291 -0.483 -15.230 8 HA PRO 2 HA PRO 2 17.164 0.236 -10.137 9 HB2 PRO 2 HB2 PRO 2 17.424 2.837 -10.867 10 HB3 PRO 2 HB1 PRO 2 18.516 1.567 -11.431 11 HG2 PRO 2 HG2 PRO 2 16.174 2.809 -12.824 12 HG3 PRO 2 HG1 PRO 2 17.776 2.407 -13.471 13 HD2 PRO 2 HD2 PRO 2 15.610 0.839 -13.881 14 HD3 PRO 2 HD1 PRO 2 17.250 0.176 -13.731 15 HA PRO 3 HA PRO 3 13.146 1.519 -8.431 16 HB2 PRO 3 HB2 PRO 3 14.650 1.292 -5.898 17 HB3 PRO 3 HB1 PRO 3 13.140 0.519 -6.387 18 HG2 PRO 3 HG2 PRO 3 15.420 -0.871 -6.210 19 HG3 PRO 3 HG1 PRO 3 14.215 -1.216 -7.465 20 HD2 PRO 3 HD2 PRO 3 16.796 0.284 -7.673 21 HD3 PRO 3 HD1 PRO 3 16.063 -0.864 -8.814 22 H VAL 4 HN VAL 4 13.627 3.619 -9.390 23 HA VAL 4 HA VAL 4 14.630 5.563 -7.417 24 HB VAL 4 HB VAL 4 15.006 7.027 -9.512 25 HG11 VAL 4 HG11 VAL 4 17.002 4.875 -9.587 26 HG12 VAL 4 HG12 VAL 4 16.652 5.511 -7.979 27 HG13 VAL 4 HG13 VAL 4 17.197 6.597 -9.258 28 HG21 VAL 4 HG21 VAL 4 13.899 4.906 -10.811 29 HG22 VAL 4 HG22 VAL 4 15.621 4.601 -11.036 30 HG23 VAL 4 HG23 VAL 4 14.919 6.130 -11.567 31 H CYS 5 HN CYS 5 13.582 7.599 -7.300 32 HA CYS 5 HA CYS 5 10.740 7.435 -7.793 33 HB2 CYS 5 HB2 CYS 5 12.548 9.121 -6.210 34 HB3 CYS 5 HB1 CYS 5 11.265 10.040 -6.988 35 H GLY 6 HN GLY 6 10.604 7.339 -9.975 36 HA2 GLY 6 HA2 GLY 6 9.928 9.244 -11.607 37 HA3 GLY 6 HA1 GLY 6 11.663 9.554 -11.569 38 H ASN 7 HN ASN 7 10.360 6.365 -11.264 39 HA ASN 7 HA ASN 7 11.111 5.677 -14.017 40 HB2 ASN 7 HB2 ASN 7 12.932 5.019 -12.453 41 HB3 ASN 7 HB1 ASN 7 11.773 4.071 -11.517 42 HD21 ASN 7 HD21 ASN 7 13.362 2.371 -12.006 43 HD22 ASN 7 HD22 ASN 7 13.192 1.490 -13.482 44 H LYS 8 HN LYS 8 8.648 6.116 -12.188 45 HA LYS 8 HA LYS 8 6.520 5.378 -12.203 46 HB2 LYS 8 HB2 LYS 8 7.470 3.033 -13.868 47 HB3 LYS 8 HB1 LYS 8 5.803 3.526 -13.613 48 HG2 LYS 8 HG2 LYS 8 6.082 4.522 -15.606 49 HG3 LYS 8 HG1 LYS 8 6.800 5.804 -14.628 50 HD2 LYS 8 HD2 LYS 8 8.899 5.362 -15.354 51 HD3 LYS 8 HD1 LYS 8 8.613 3.623 -15.448 52 HE2 LYS 8 HE2 LYS 8 7.271 5.461 -17.385 53 HE3 LYS 8 HE1 LYS 8 8.959 5.013 -17.628 54 HZ1 LYS 8 HZ1 LYS 8 6.933 2.928 -17.151 55 HZ2 LYS 8 HZ2 LYS 8 8.416 2.810 -17.956 56 HZ3 LYS 8 HZ3 LYS 8 7.113 3.593 -18.696 57 H ILE 9 HN ILE 9 8.883 4.471 -10.554 58 HA ILE 9 HA ILE 9 7.481 2.373 -9.064 59 HB ILE 9 HB ILE 9 10.470 2.563 -9.512 60 HG12 ILE 9 HG12 ILE 9 9.447 0.015 -10.203 61 HG13 ILE 9 HG11 ILE 9 8.383 1.202 -10.949 62 HG21 ILE 9 HG21 ILE 9 10.310 1.785 -7.344 63 HG22 ILE 9 HG22 ILE 9 10.343 0.287 -8.275 64 HG23 ILE 9 HG23 ILE 9 8.812 0.907 -7.657 65 HD11 ILE 9 HD11 ILE 9 11.290 0.721 -11.404 66 HD12 ILE 9 HD12 ILE 9 10.579 2.294 -11.763 67 HD13 ILE 9 HD13 ILE 9 9.976 0.848 -12.573 68 H LEU 10 HN LEU 10 7.543 2.628 -6.859 69 HA LEU 10 HA LEU 10 8.010 5.267 -5.887 70 HB2 LEU 10 HB2 LEU 10 7.635 3.979 -3.621 71 HB3 LEU 10 HB1 LEU 10 6.305 4.334 -4.705 72 HG LEU 10 HG LEU 10 7.686 1.738 -5.087 73 HD11 LEU 10 HD11 LEU 10 6.460 0.667 -3.305 74 HD12 LEU 10 HD12 LEU 10 5.775 2.216 -2.809 75 HD13 LEU 10 HD13 LEU 10 7.507 1.923 -2.644 76 HD21 LEU 10 HD21 LEU 10 4.743 2.274 -4.955 77 HD22 LEU 10 HD22 LEU 10 5.614 1.043 -5.870 78 HD23 LEU 10 HD23 LEU 10 5.683 2.732 -6.378 79 H GLU 11 HN GLU 11 10.338 4.999 -6.781 80 HA GLU 11 HA GLU 11 12.569 4.368 -6.464 81 HB2 GLU 11 HB2 GLU 11 12.231 6.672 -5.650 82 HB3 GLU 11 HB1 GLU 11 11.925 6.042 -4.040 83 HG2 GLU 11 HG2 GLU 11 14.260 4.926 -4.357 84 HG3 GLU 11 HG1 GLU 11 14.472 6.198 -5.557 85 H GLN 12 HN GLN 12 11.653 2.107 -5.959 86 HA GLN 12 HA GLN 12 12.048 0.163 -4.853 87 HB2 GLN 12 HB2 GLN 12 14.177 1.784 -4.048 88 HB3 GLN 12 HB1 GLN 12 13.552 1.084 -2.563 89 HG2 GLN 12 HG2 GLN 12 13.862 -0.820 -4.764 90 HG3 GLN 12 HG1 GLN 12 15.365 -0.094 -4.196 91 HE21 GLN 12 HE21 GLN 12 12.750 -2.215 -3.457 92 HE22 GLN 12 HE22 GLN 12 13.382 -2.827 -1.970 93 H GLY 13 HN GLY 13 12.189 2.215 -1.972 94 HA2 GLY 13 HA2 GLY 13 9.568 1.105 -1.186 95 HA3 GLY 13 HA1 GLY 13 10.923 1.117 -0.069 96 H GLU 14 HN GLU 14 9.267 3.428 -2.218 97 HA GLU 14 HA GLU 14 9.603 5.483 -0.164 98 HB2 GLU 14 HB2 GLU 14 9.187 5.479 -3.101 99 HB3 GLU 14 HB1 GLU 14 8.547 6.851 -2.200 100 HG2 GLU 14 HG2 GLU 14 11.396 5.883 -2.170 101 HG3 GLU 14 HG1 GLU 14 10.789 7.299 -3.026 102 H ASP 15 HN ASP 15 7.135 3.749 -1.923 103 HA ASP 15 HA ASP 15 5.044 3.151 -1.157 104 HB2 ASP 15 HB2 ASP 15 5.898 4.256 1.109 105 HB3 ASP 15 HB1 ASP 15 4.734 5.493 0.644 106 H CYS 16 HN CYS 16 5.910 5.406 -3.124 107 HA CYS 16 HA CYS 16 3.639 5.806 -4.485 108 HB2 CYS 16 HB2 CYS 16 3.539 7.403 -2.041 109 HB3 CYS 16 HB1 CYS 16 3.245 8.344 -3.497 110 H ASP 17 HN ASP 17 4.502 6.376 -6.352 111 HA ASP 17 HA ASP 17 5.858 8.882 -6.656 112 HB2 ASP 17 HB2 ASP 17 7.706 7.423 -5.845 113 HB3 ASP 17 HB1 ASP 17 7.437 6.372 -7.232 114 H CYS 18 HN CYS 18 6.412 9.331 -8.918 115 HA CYS 18 HA CYS 18 4.964 7.635 -10.831 116 HB2 CYS 18 HB2 CYS 18 4.858 10.423 -11.606 117 HB3 CYS 18 HB1 CYS 18 3.549 9.261 -11.447 118 H GLY 19 HN GLY 19 5.566 8.235 -13.144 119 HA2 GLY 19 HA2 GLY 19 8.282 7.865 -13.562 120 HA3 GLY 19 HA1 GLY 19 7.167 8.480 -14.773 121 H SER 20 HN SER 20 6.449 10.906 -13.837 122 HA SER 20 HA SER 20 8.927 12.358 -13.264 123 HB2 SER 20 HB2 SER 20 7.045 13.001 -15.547 124 HB3 SER 20 HB1 SER 20 8.383 14.024 -15.024 125 HG SER 20 HG SER 20 8.684 12.402 -16.836 126 HA PRO 21 HA PRO 21 6.207 14.251 -10.274 127 HB2 PRO 21 HB2 PRO 21 7.756 16.529 -9.907 128 HB3 PRO 21 HB1 PRO 21 7.954 15.006 -9.036 129 HG2 PRO 21 HG2 PRO 21 9.448 16.048 -11.401 130 HG3 PRO 21 HG1 PRO 21 10.049 15.137 -10.003 131 HD2 PRO 21 HD2 PRO 21 9.672 13.956 -12.376 132 HD3 PRO 21 HD1 PRO 21 9.320 13.106 -10.856 133 H ALA 22 HN ALA 22 7.205 15.670 -13.273 134 HA ALA 22 HA ALA 22 5.451 17.956 -13.025 135 HB1 ALA 22 HB1 ALA 22 7.434 18.395 -14.221 136 HB2 ALA 22 HB2 ALA 22 6.154 18.335 -15.434 137 HB3 ALA 22 HB3 ALA 22 7.238 16.959 -15.226 138 H ASN 23 HN ASN 23 5.378 14.759 -14.383 139 HA ASN 23 HA ASN 23 2.852 15.339 -15.748 140 HB2 ASN 23 HB2 ASN 23 4.926 13.986 -16.727 141 HB3 ASN 23 HB1 ASN 23 4.132 12.651 -15.898 142 HD21 ASN 23 HD21 ASN 23 4.350 14.283 -18.744 143 HD22 ASN 23 HD22 ASN 23 2.846 13.821 -19.456 144 H CYS 24 HN CYS 24 4.302 13.078 -13.461 145 HA CYS 24 HA CYS 24 3.262 11.394 -12.216 146 HB2 CYS 24 HB2 CYS 24 2.865 14.118 -11.198 147 HB3 CYS 24 HB1 CYS 24 1.852 12.892 -10.441 148 H GLN 25 HN GLN 25 1.825 10.121 -13.259 149 HA GLN 25 HA GLN 25 -0.898 11.095 -13.657 150 HB2 GLN 25 HB2 GLN 25 0.805 9.132 -14.945 151 HB3 GLN 25 HB1 GLN 25 -0.769 8.454 -14.552 152 HG2 GLN 25 HG2 GLN 25 -1.826 10.378 -15.694 153 HG3 GLN 25 HG1 GLN 25 -0.220 10.916 -16.184 154 HE21 GLN 25 HE21 GLN 25 1.047 9.425 -17.497 155 HE22 GLN 25 HE22 GLN 25 0.229 8.385 -18.607 156 H ASP 26 HN ASP 26 -0.154 10.764 -10.997 157 HA ASP 26 HA ASP 26 -2.065 8.713 -10.195 158 HB2 ASP 26 HB2 ASP 26 0.644 8.952 -8.872 159 HB3 ASP 26 HB1 ASP 26 -0.616 7.777 -8.508 160 H ARG 27 HN ARG 27 -3.513 10.241 -9.545 161 HA ARG 27 HA ARG 27 -2.908 12.575 -8.109 162 HB2 ARG 27 HB2 ARG 27 -5.037 12.099 -9.342 163 HB3 ARG 27 HB1 ARG 27 -5.503 11.034 -8.023 164 HG2 ARG 27 HG2 ARG 27 -6.537 12.872 -7.258 165 HG3 ARG 27 HG1 ARG 27 -4.932 13.272 -6.641 166 HD2 ARG 27 HD2 ARG 27 -5.887 14.117 -9.366 167 HD3 ARG 27 HD1 ARG 27 -6.146 15.096 -7.922 168 HE ARG 27 HE ARG 27 -3.463 14.557 -7.935 169 HH11 ARG 27 HH11 ARG 27 -5.703 16.045 -10.159 170 HH12 ARG 27 HH12 ARG 27 -4.513 17.097 -10.849 171 HH21 ARG 27 HH21 ARG 27 -1.897 15.941 -8.841 172 HH22 ARG 27 HH22 ARG 27 -2.352 17.038 -10.101 173 H CYS 28 HN CYS 28 -3.013 9.309 -7.094 174 HA CYS 28 HA CYS 28 -3.400 10.031 -4.292 175 HB2 CYS 28 HB2 CYS 28 -3.076 7.306 -5.565 176 HB3 CYS 28 HB1 CYS 28 -3.487 7.616 -3.881 177 H CYS 29 HN CYS 29 -0.903 9.073 -6.522 178 HA CYS 29 HA CYS 29 1.026 8.996 -4.295 179 HB2 CYS 29 HB2 CYS 29 0.988 7.583 -6.948 180 HB3 CYS 29 HB1 CYS 29 2.501 7.837 -6.088 181 H ASN 30 HN ASN 30 2.517 10.547 -4.192 182 HA ASN 30 HA ASN 30 2.861 12.265 -6.561 183 HB2 ASN 30 HB2 ASN 30 1.846 13.387 -4.596 184 HB3 ASN 30 HB1 ASN 30 3.286 13.006 -3.660 185 HD21 ASN 30 HD21 ASN 30 4.627 14.636 -3.474 186 HD22 ASN 30 HD22 ASN 30 4.890 15.883 -4.639 187 H ALA 31 HN ALA 31 4.784 12.338 -7.488 188 HA ALA 31 HA ALA 31 6.954 10.753 -6.515 189 HB1 ALA 31 HB1 ALA 31 6.284 11.275 -8.958 190 HB2 ALA 31 HB2 ALA 31 7.995 11.176 -8.550 191 HB3 ALA 31 HB3 ALA 31 7.221 12.749 -8.731 192 H ALA 32 HN ALA 32 6.301 14.213 -6.766 193 HA ALA 32 HA ALA 32 8.772 15.243 -6.061 194 HB1 ALA 32 HB1 ALA 32 6.649 16.761 -4.836 195 HB2 ALA 32 HB2 ALA 32 6.206 16.247 -6.464 196 HB3 ALA 32 HB3 ALA 32 7.683 17.174 -6.204 197 H THR 33 HN THR 33 6.566 13.463 -4.118 198 HA THR 33 HA THR 33 8.082 14.198 -1.700 199 HB THR 33 HB THR 33 5.631 14.813 -1.710 200 HG1 THR 33 HG1 THR 33 6.568 12.947 0.203 201 HG21 THR 33 HG21 THR 33 5.010 11.940 -1.225 202 HG22 THR 33 HG22 THR 33 5.020 12.567 -2.872 203 HG23 THR 33 HG23 THR 33 3.937 13.267 -1.670 204 H CYS 34 HN CYS 34 7.064 11.702 -3.835 205 HA CYS 34 HA CYS 34 7.493 9.482 -3.932 206 HB2 CYS 34 HB2 CYS 34 9.560 10.236 -1.859 207 HB3 CYS 34 HB1 CYS 34 9.427 8.634 -2.568 208 H LYS 35 HN LYS 35 5.372 10.386 -2.407 209 HA LYS 35 HA LYS 35 4.866 8.095 -0.777 210 HB2 LYS 35 HB2 LYS 35 5.248 8.867 1.295 211 HB3 LYS 35 HB1 LYS 35 6.160 10.161 0.534 212 HG2 LYS 35 HG2 LYS 35 4.133 11.556 0.523 213 HG3 LYS 35 HG1 LYS 35 3.262 10.262 1.349 214 HD2 LYS 35 HD2 LYS 35 4.564 10.488 3.298 215 HD3 LYS 35 HD1 LYS 35 5.784 11.455 2.467 216 HE2 LYS 35 HE2 LYS 35 2.987 12.472 2.583 217 HE3 LYS 35 HE1 LYS 35 3.981 12.569 4.036 218 HZ1 LYS 35 HZ1 LYS 35 5.169 13.508 1.541 219 HZ2 LYS 35 HZ2 LYS 35 5.344 14.105 3.113 220 HZ3 LYS 35 HZ3 LYS 35 3.954 14.469 2.221 221 H LEU 36 HN LEU 36 2.665 8.249 0.259 222 HA LEU 36 HA LEU 36 0.734 8.888 -1.630 223 HB2 LEU 36 HB2 LEU 36 0.342 8.664 1.353 224 HB3 LEU 36 HB1 LEU 36 -0.904 8.500 0.131 225 HG LEU 36 HG LEU 36 1.396 6.651 -0.101 226 HD11 LEU 36 HD11 LEU 36 -0.611 6.493 2.135 227 HD12 LEU 36 HD12 LEU 36 1.147 6.548 2.265 228 HD13 LEU 36 HD13 LEU 36 0.357 5.126 1.583 229 HD21 LEU 36 HD21 LEU 36 -0.080 5.385 -1.231 230 HD22 LEU 36 HD22 LEU 36 -0.993 6.889 -1.342 231 HD23 LEU 36 HD23 LEU 36 -1.388 5.708 -0.093 232 H THR 37 HN THR 37 -0.555 10.611 -2.025 233 HA THR 37 HA THR 37 0.288 13.162 -1.005 234 HB THR 37 HB THR 37 -1.124 14.121 -2.632 235 HG1 THR 37 HG1 THR 37 -2.823 12.973 -3.591 236 HG21 THR 37 HG21 THR 37 0.662 12.260 -3.446 237 HG22 THR 37 HG22 THR 37 -0.250 13.317 -4.523 238 HG23 THR 37 HG23 THR 37 -0.817 11.677 -4.210 239 HA PRO 38 HA PRO 38 -2.509 14.048 2.268 240 HB2 PRO 38 HB2 PRO 38 -3.686 16.237 0.620 241 HB3 PRO 38 HB1 PRO 38 -3.039 16.289 2.264 242 HG2 PRO 38 HG2 PRO 38 -1.639 17.273 0.227 243 HG3 PRO 38 HG1 PRO 38 -0.838 16.385 1.536 244 HD2 PRO 38 HD2 PRO 38 -1.481 15.501 -1.240 245 HD3 PRO 38 HD1 PRO 38 -0.080 15.105 -0.224 246 H GLY 39 HN GLY 39 -4.116 12.644 2.623 247 HA2 GLY 39 HA2 GLY 39 -6.528 12.352 2.579 248 HA3 GLY 39 HA1 GLY 39 -6.493 12.807 0.882 249 H SER 40 HN SER 40 -4.068 11.121 0.442 250 HA SER 40 HA SER 40 -5.500 8.585 0.154 251 HB2 SER 40 HB2 SER 40 -2.888 9.430 -1.119 252 HB3 SER 40 HB1 SER 40 -3.864 8.024 -1.543 253 HG SER 40 HG SER 40 -5.565 9.651 -2.003 254 H GLN 41 HN GLN 41 -4.966 6.812 1.263 255 HA GLN 41 HA GLN 41 -2.559 6.927 2.952 256 HB2 GLN 41 HB2 GLN 41 -5.198 5.518 3.315 257 HB3 GLN 41 HB1 GLN 41 -3.782 5.121 4.279 258 HG2 GLN 41 HG2 GLN 41 -3.892 7.832 4.536 259 HG3 GLN 41 HG1 GLN 41 -5.600 7.400 4.449 260 HE21 GLN 41 HE21 GLN 41 -2.773 5.796 5.867 261 HE22 GLN 41 HE22 GLN 41 -3.431 5.663 7.459 262 H CYS 42 HN CYS 42 -4.230 5.118 0.506 263 HA CYS 42 HA CYS 42 -2.073 3.105 0.555 264 HB2 CYS 42 HB2 CYS 42 -3.532 1.420 0.211 265 HB3 CYS 42 HB1 CYS 42 -4.661 2.527 0.974 266 H ASN 43 HN ASN 43 -2.103 1.947 -1.698 267 HA ASN 43 HA ASN 43 -2.697 3.370 -4.034 268 HB2 ASN 43 HB2 ASN 43 -0.429 4.067 -4.718 269 HB3 ASN 43 HB1 ASN 43 -0.980 4.937 -3.289 270 HD21 ASN 43 HD21 ASN 43 1.641 3.646 -4.596 271 HD22 ASN 43 HD22 ASN 43 2.504 3.152 -3.183 272 H TYR 44 HN TYR 44 -0.675 1.081 -2.355 273 HA TYR 44 HA TYR 44 -1.237 -0.947 -4.307 274 HB2 TYR 44 HB2 TYR 44 0.813 -1.232 -5.256 275 HB3 TYR 44 HB1 TYR 44 0.995 0.474 -4.869 276 HD1 TYR 44 HD1 TYR 44 1.723 -2.938 -3.598 277 HD2 TYR 44 HD2 TYR 44 2.727 1.192 -3.460 278 HE1 TYR 44 HE1 TYR 44 3.698 -3.473 -2.247 279 HE2 TYR 44 HE2 TYR 44 4.713 0.671 -2.108 280 HH TYR 44 HH TYR 44 6.126 -2.089 -1.903 281 H GLY 45 HN GLY 45 -1.314 -2.928 -3.344 282 HA2 GLY 45 HA2 GLY 45 -0.177 -4.386 -1.630 283 HA3 GLY 45 HA1 GLY 45 -0.417 -3.037 -0.531 284 H GLU 46 HN GLU 46 -1.344 -5.556 0.073 285 HA GLU 46 HA GLU 46 -3.955 -6.177 -0.666 286 HB2 GLU 46 HB2 GLU 46 -2.374 -6.689 1.839 287 HB3 GLU 46 HB1 GLU 46 -4.014 -7.292 1.643 288 HG2 GLU 46 HG2 GLU 46 -2.760 -9.095 0.972 289 HG3 GLU 46 HG1 GLU 46 -3.109 -8.305 -0.565 290 H CYS 47 HN CYS 47 -2.801 -4.203 2.045 291 HA CYS 47 HA CYS 47 -5.333 -3.666 3.160 292 HB2 CYS 47 HB2 CYS 47 -2.587 -2.703 3.482 293 HB3 CYS 47 HB1 CYS 47 -3.805 -1.499 3.868 294 H CYS 48 HN CYS 48 -3.651 -2.280 0.450 295 HA CYS 48 HA CYS 48 -4.968 0.204 0.388 296 HB2 CYS 48 HB2 CYS 48 -2.904 -0.161 -0.832 297 HB3 CYS 48 HB1 CYS 48 -3.676 -1.390 -1.828 298 H ASP 49 HN ASP 49 -6.893 0.801 -0.249 299 HA ASP 49 HA ASP 49 -8.391 -0.645 -2.240 300 HB2 ASP 49 HB2 ASP 49 -8.827 -1.686 0.121 301 HB3 ASP 49 HB1 ASP 49 -9.791 -0.236 0.385 302 H GLN 50 HN GLN 50 -8.888 1.006 -3.534 303 HA GLN 50 HA GLN 50 -9.751 2.973 -4.289 304 HB2 GLN 50 HB2 GLN 50 -11.564 2.180 -2.518 305 HB3 GLN 50 HB1 GLN 50 -10.998 3.602 -1.654 306 HG2 GLN 50 HG2 GLN 50 -11.568 5.017 -3.519 307 HG3 GLN 50 HG1 GLN 50 -12.018 3.612 -4.485 308 HE21 GLN 50 HE21 GLN 50 -13.542 2.126 -2.930 309 HE22 GLN 50 HE22 GLN 50 -14.941 2.983 -2.389 310 H CYS 51 HN CYS 51 -7.166 3.019 -3.354 311 HA CYS 51 HA CYS 51 -5.486 4.422 -2.752 312 HB2 CYS 51 HB2 CYS 51 -7.677 6.377 -3.366 313 HB3 CYS 51 HB1 CYS 51 -6.117 6.932 -2.765 314 H ARG 52 HN ARG 52 -7.489 3.368 -0.722 315 HA ARG 52 HA ARG 52 -6.451 4.922 1.517 316 HB2 ARG 52 HB2 ARG 52 -8.666 5.888 1.055 317 HB3 ARG 52 HB1 ARG 52 -9.390 4.290 1.173 318 HG2 ARG 52 HG2 ARG 52 -9.840 5.166 3.246 319 HG3 ARG 52 HG1 ARG 52 -8.343 4.282 3.552 320 HD2 ARG 52 HD2 ARG 52 -8.388 6.561 4.547 321 HD3 ARG 52 HD1 ARG 52 -7.055 6.298 3.424 322 HE ARG 52 HE ARG 52 -7.944 7.895 2.042 323 HH11 ARG 52 HH11 ARG 52 -10.342 6.974 4.404 324 HH12 ARG 52 HH12 ARG 52 -11.444 8.235 3.961 325 HH21 ARG 52 HH21 ARG 52 -9.391 9.555 1.459 326 HH22 ARG 52 HH22 ARG 52 -10.904 9.700 2.290 327 H PHE 53 HN PHE 53 -5.654 3.577 3.017 328 HA PHE 53 HA PHE 53 -5.578 0.834 2.758 329 HB2 PHE 53 HB2 PHE 53 -5.244 2.577 5.193 330 HB3 PHE 53 HB1 PHE 53 -5.035 0.829 5.263 331 HD1 PHE 53 HD2 PHE 53 -3.771 0.491 2.533 332 HD2 PHE 53 HD1 PHE 53 -3.044 3.240 5.697 333 HE1 PHE 53 HE2 PHE 53 -1.457 0.736 1.775 334 HE2 PHE 53 HE1 PHE 53 -0.715 3.494 4.942 335 HZ PHE 53 HZ PHE 53 0.085 2.240 2.977 336 H LYS 54 HN LYS 54 -6.597 -0.896 3.761 337 HA LYS 54 HA LYS 54 -9.412 -0.574 4.088 338 HB2 LYS 54 HB2 LYS 54 -7.486 -2.803 4.078 339 HB3 LYS 54 HB1 LYS 54 -8.898 -3.063 5.092 340 HG2 LYS 54 HG2 LYS 54 -10.234 -3.378 3.337 341 HG3 LYS 54 HG1 LYS 54 -9.567 -1.994 2.469 342 HD2 LYS 54 HD2 LYS 54 -7.579 -3.414 1.912 343 HD3 LYS 54 HD1 LYS 54 -8.441 -4.788 2.607 344 HE2 LYS 54 HE2 LYS 54 -9.973 -3.241 0.639 345 HE3 LYS 54 HE1 LYS 54 -8.545 -4.047 -0.009 346 HZ1 LYS 54 HZ1 LYS 54 -9.417 -6.088 0.355 347 HZ2 LYS 54 HZ2 LYS 54 -10.875 -5.248 0.186 348 HZ3 LYS 54 HZ3 LYS 54 -10.286 -5.617 1.728 349 H LYS 55 HN LYS 55 -10.504 -0.033 5.875 350 HA LYS 55 HA LYS 55 -9.384 0.805 8.229 351 HB2 LYS 55 HB2 LYS 55 -11.730 1.210 7.603 352 HB3 LYS 55 HB1 LYS 55 -12.102 -0.482 7.904 353 HG2 LYS 55 HG2 LYS 55 -11.420 -0.144 10.273 354 HG3 LYS 55 HG1 LYS 55 -11.247 1.578 9.925 355 HD2 LYS 55 HD2 LYS 55 -13.516 1.890 9.672 356 HD3 LYS 55 HD1 LYS 55 -13.806 0.204 9.241 357 HE2 LYS 55 HE2 LYS 55 -12.894 -0.099 11.757 358 HE3 LYS 55 HE1 LYS 55 -13.647 1.489 11.892 359 HZ1 LYS 55 HZ1 LYS 55 -15.017 -0.685 12.281 360 HZ2 LYS 55 HZ2 LYS 55 -15.153 -0.665 10.595 361 HZ3 LYS 55 HZ3 LYS 55 -15.715 0.646 11.503 362 H ALA 56 HN ALA 56 -8.273 -0.181 9.787 363 HA ALA 56 HA ALA 56 -7.469 -2.712 9.973 364 HB1 ALA 56 HB1 ALA 56 -7.673 -2.407 12.570 365 HB2 ALA 56 HB2 ALA 56 -8.101 -0.754 12.120 366 HB3 ALA 56 HB3 ALA 56 -6.548 -1.430 11.626 367 H GLY 57 HN GLY 57 -8.271 -4.674 10.309 368 HA2 GLY 57 HA2 GLY 57 -9.827 -6.086 11.619 369 HA3 GLY 57 HA1 GLY 57 -11.051 -4.856 11.319 370 H THR 58 HN THR 58 -9.660 -4.668 8.532 371 HA THR 58 HA THR 58 -11.511 -6.418 7.207 372 HB THR 58 HB THR 58 -9.266 -4.687 6.136 373 HG1 THR 58 HG1 THR 58 -12.064 -4.302 6.361 374 HG21 THR 58 HG21 THR 58 -9.657 -5.374 4.076 375 HG22 THR 58 HG22 THR 58 -11.403 -5.235 4.287 376 HG23 THR 58 HG23 THR 58 -10.571 -6.713 4.776 377 H VAL 59 HN VAL 59 -11.146 -8.536 6.937 378 HA VAL 59 HA VAL 59 -8.573 -9.687 7.332 379 HB VAL 59 HB VAL 59 -10.620 -10.902 7.929 380 HG11 VAL 59 HG11 VAL 59 -11.677 -10.025 5.627 381 HG12 VAL 59 HG12 VAL 59 -12.295 -11.425 6.505 382 HG13 VAL 59 HG13 VAL 59 -11.207 -11.653 5.135 383 HG21 VAL 59 HG21 VAL 59 -9.664 -12.908 7.575 384 HG22 VAL 59 HG22 VAL 59 -8.354 -11.952 6.883 385 HG23 VAL 59 HG23 VAL 59 -9.572 -12.673 5.830 386 H CYS 60 HN CYS 60 -6.996 -10.021 5.907 387 HA CYS 60 HA CYS 60 -7.653 -9.818 3.035 388 HB2 CYS 60 HB2 CYS 60 -4.892 -9.367 4.117 389 HB3 CYS 60 HB1 CYS 60 -5.606 -8.776 2.622 390 H ARG 61 HN ARG 61 -6.336 -11.839 5.470 391 HA ARG 61 HA ARG 61 -5.895 -13.953 3.530 392 HB2 ARG 61 HB2 ARG 61 -3.714 -12.545 3.930 393 HB3 ARG 61 HB1 ARG 61 -3.642 -13.432 5.444 394 HG2 ARG 61 HG2 ARG 61 -3.255 -15.450 4.402 395 HG3 ARG 61 HG1 ARG 61 -3.956 -14.915 2.874 396 HD2 ARG 61 HD2 ARG 61 -1.447 -15.171 2.909 397 HD3 ARG 61 HD1 ARG 61 -2.049 -13.613 2.353 398 HE ARG 61 HE ARG 61 -0.647 -14.161 4.859 399 HH11 ARG 61 HH11 ARG 61 -2.245 -11.844 2.781 400 HH12 ARG 61 HH12 ARG 61 -1.556 -10.473 3.580 401 HH21 ARG 61 HH21 ARG 61 0.249 -12.354 5.905 402 HH22 ARG 61 HH22 ARG 61 -0.143 -10.761 5.351 403 H ILE 62 HN ILE 62 -5.011 -15.975 4.850 404 HA ILE 62 HA ILE 62 -5.574 -16.234 7.571 405 HB ILE 62 HB ILE 62 -7.889 -15.902 7.061 406 HG12 ILE 62 HG12 ILE 62 -8.856 -18.059 7.801 407 HG13 ILE 62 HG11 ILE 62 -7.314 -18.843 7.473 408 HG21 ILE 62 HG21 ILE 62 -8.843 -17.901 5.513 409 HG22 ILE 62 HG22 ILE 62 -7.277 -17.611 4.755 410 HG23 ILE 62 HG23 ILE 62 -8.435 -16.291 4.918 411 HD11 ILE 62 HD11 ILE 62 -7.388 -18.464 9.791 412 HD12 ILE 62 HD12 ILE 62 -7.945 -16.804 9.580 413 HD13 ILE 62 HD13 ILE 62 -6.295 -17.244 9.136 414 H ALA 63 HN ALA 63 -4.679 -18.049 8.283 415 HA ALA 63 HA ALA 63 -3.183 -19.684 6.583 416 HB1 ALA 63 HB1 ALA 63 -3.772 -20.995 9.086 417 HB2 ALA 63 HB2 ALA 63 -3.366 -19.294 9.320 418 HB3 ALA 63 HB3 ALA 63 -2.244 -20.360 8.475 419 H ARG 64 HN ARG 64 -5.720 -20.966 8.704 420 HA ARG 64 HA ARG 64 -7.309 -22.092 6.685 421 HB2 ARG 64 HB2 ARG 64 -5.153 -23.437 6.437 422 HB3 ARG 64 HB1 ARG 64 -5.548 -24.156 7.991 423 HG2 ARG 64 HG2 ARG 64 -7.628 -24.194 5.877 424 HG3 ARG 64 HG1 ARG 64 -6.248 -25.282 5.711 425 HD2 ARG 64 HD2 ARG 64 -6.838 -25.754 8.267 426 HD3 ARG 64 HD1 ARG 64 -8.439 -25.273 7.708 427 HE ARG 64 HE ARG 64 -7.170 -27.233 6.032 428 HH11 ARG 64 HH11 ARG 64 -9.138 -26.741 8.872 429 HH12 ARG 64 HH12 ARG 64 -9.848 -28.318 8.806 430 HH21 ARG 64 HH21 ARG 64 -8.104 -29.308 5.943 431 HH22 ARG 64 HH22 ARG 64 -9.262 -29.776 7.144 432 H GLY 65 HN GLY 65 -8.543 -20.958 8.443 433 HA2 GLY 65 HA2 GLY 65 -10.313 -22.400 9.755 434 HA3 GLY 65 HA1 GLY 65 -8.944 -22.580 10.841 435 H ASP 66 HN ASP 66 -8.808 -21.183 12.437 436 HA ASP 66 HA ASP 66 -9.322 -18.405 12.164 437 HB2 ASP 66 HB2 ASP 66 -11.488 -20.152 13.209 438 HB3 ASP 66 HB1 ASP 66 -11.188 -18.652 14.082 439 H TRP 67 HN TRP 67 -7.216 -18.450 13.041 440 HA TRP 67 HA TRP 67 -7.110 -19.032 15.930 441 HB2 TRP 67 HB2 TRP 67 -4.473 -18.971 14.962 442 HB3 TRP 67 HB1 TRP 67 -5.382 -20.389 15.469 443 HD1 TRP 67 HD1 TRP 67 -4.927 -18.316 12.197 444 HE1 TRP 67 HE1 TRP 67 -5.004 -19.944 10.224 445 HE3 TRP 67 HE3 TRP 67 -5.816 -22.640 14.762 446 HZ2 TRP 67 HZ2 TRP 67 -5.375 -22.712 9.798 447 HZ3 TRP 67 HZ3 TRP 67 -6.016 -24.743 13.496 448 HH2 TRP 67 HH2 TRP 67 -5.800 -24.776 11.063 449 H ASN 68 HN ASN 68 -5.128 -17.274 13.596 450 HA ASN 68 HA ASN 68 -5.161 -14.935 15.386 451 HB2 ASN 68 HB2 ASN 68 -3.117 -15.344 13.228 452 HB3 ASN 68 HB1 ASN 68 -2.995 -14.389 14.702 453 HD21 ASN 68 HD21 ASN 68 -3.179 -17.688 13.479 454 HD22 ASN 68 HD22 ASN 68 -2.280 -18.410 14.767 455 H ASP 69 HN ASP 69 -5.437 -16.076 12.088 456 HA ASP 69 HA ASP 69 -6.392 -15.189 10.226 457 HB2 ASP 69 HB2 ASP 69 -7.650 -13.568 12.392 458 HB3 ASP 69 HB1 ASP 69 -7.901 -13.111 10.712 459 H ASP 70 HN ASP 70 -6.342 -13.371 8.766 460 HA ASP 70 HA ASP 70 -4.109 -11.569 9.372 461 HB2 ASP 70 HB2 ASP 70 -3.736 -13.004 7.412 462 HB3 ASP 70 HB1 ASP 70 -5.222 -12.407 6.695 463 H TYR 71 HN TYR 71 -4.512 -9.456 9.583 464 HA TYR 71 HA TYR 71 -6.987 -8.420 8.415 465 HB2 TYR 71 HB2 TYR 71 -6.211 -8.409 11.305 466 HB3 TYR 71 HB1 TYR 71 -7.283 -7.173 10.649 467 HD1 TYR 71 HD2 TYR 71 -9.302 -7.994 9.338 468 HD2 TYR 71 HD1 TYR 71 -7.099 -10.454 11.999 469 HE1 TYR 71 HE2 TYR 71 -11.234 -9.477 9.521 470 HE2 TYR 71 HE1 TYR 71 -9.013 -11.975 12.202 471 HH TYR 71 HH TYR 71 -11.832 -11.454 11.772 472 H CYS 72 HN CYS 72 -6.963 -6.409 7.724 473 HA CYS 72 HA CYS 72 -4.530 -5.059 7.297 474 HB2 CYS 72 HB2 CYS 72 -6.636 -4.852 5.921 475 HB3 CYS 72 HB1 CYS 72 -7.311 -3.870 7.216 476 H THR 73 HN THR 73 -3.984 -2.876 8.112 477 HA THR 73 HA THR 73 -4.830 -2.569 10.917 478 HB THR 73 HB THR 73 -2.624 -1.600 11.361 479 HG1 THR 73 HG1 THR 73 -2.001 -2.282 8.683 480 HG21 THR 73 HG21 THR 73 -3.099 -4.301 10.766 481 HG22 THR 73 HG22 THR 73 -1.832 -3.616 11.785 482 HG23 THR 73 HG23 THR 73 -1.528 -3.897 10.070 483 H GLY 74 HN GLY 74 -4.764 -1.075 7.855 484 HA2 GLY 74 HA2 GLY 74 -5.719 0.921 7.197 485 HA3 GLY 74 HA1 GLY 74 -6.108 1.242 8.879 486 H LYS 75 HN LYS 75 -2.873 0.503 8.694 487 HA LYS 75 HA LYS 75 -2.145 3.347 8.462 488 HB2 LYS 75 HB2 LYS 75 -0.402 2.961 10.115 489 HB3 LYS 75 HB1 LYS 75 -1.968 2.502 10.767 490 HG2 LYS 75 HG2 LYS 75 -1.303 0.417 11.127 491 HG3 LYS 75 HG1 LYS 75 -0.667 0.263 9.489 492 HD2 LYS 75 HD2 LYS 75 1.445 0.707 10.135 493 HD3 LYS 75 HD1 LYS 75 0.937 1.950 11.281 494 HE2 LYS 75 HE2 LYS 75 0.213 -0.806 12.011 495 HE3 LYS 75 HE1 LYS 75 1.943 -0.468 11.983 496 HZ1 LYS 75 HZ1 LYS 75 0.961 -0.057 14.163 497 HZ2 LYS 75 HZ2 LYS 75 -0.080 1.096 13.494 498 HZ3 LYS 75 HZ3 LYS 75 1.590 1.365 13.497 499 H SER 76 HN SER 76 -1.840 0.373 7.012 500 HA SER 76 HA SER 76 0.306 1.299 5.330 501 HB2 SER 76 HB2 SER 76 1.583 0.314 7.184 502 HB3 SER 76 HB1 SER 76 0.703 -1.202 6.989 503 HG SER 76 HG SER 76 2.654 -1.348 5.899 504 H SER 77 HN SER 77 0.833 -0.410 3.632 505 HA SER 77 HA SER 77 -1.689 -1.467 2.632 506 HB2 SER 77 HB2 SER 77 0.699 -1.964 1.005 507 HB3 SER 77 HB1 SER 77 -0.809 -1.157 0.577 508 HG SER 77 HG SER 77 1.277 0.106 0.678 509 H ASP 78 HN ASP 78 0.223 -2.675 4.824 510 HA ASP 78 HA ASP 78 0.433 -5.360 3.648 511 HB2 ASP 78 HB2 ASP 78 1.946 -3.928 5.786 512 HB3 ASP 78 HB1 ASP 78 1.811 -5.681 5.886 513 H CYS 79 HN CYS 79 -0.705 -7.024 4.427 514 HA CYS 79 HA CYS 79 -2.491 -6.516 6.720 515 HB2 CYS 79 HB2 CYS 79 -2.796 -8.219 4.250 516 HB3 CYS 79 HB1 CYS 79 -3.798 -8.476 5.675 517 HA PRO 80 HA PRO 80 0.406 -9.617 8.437 518 HB2 PRO 80 HB2 PRO 80 -0.297 -9.167 11.032 519 HB3 PRO 80 HB1 PRO 80 0.878 -8.176 10.160 520 HG2 PRO 80 HG2 PRO 80 -2.024 -7.652 10.682 521 HG3 PRO 80 HG1 PRO 80 -0.646 -6.541 10.804 522 HD2 PRO 80 HD2 PRO 80 -2.291 -6.539 8.673 523 HD3 PRO 80 HD1 PRO 80 -0.554 -6.203 8.518 524 H TRP 81 HN TRP 81 -0.076 -11.707 8.541 525 HA TRP 81 HA TRP 81 -2.810 -12.537 9.073 526 HB2 TRP 81 HB2 TRP 81 -2.095 -14.742 8.233 527 HB3 TRP 81 HB1 TRP 81 -1.850 -13.442 7.078 528 HD1 TRP 81 HD1 TRP 81 1.001 -12.957 9.208 529 HE1 TRP 81 HE1 TRP 81 3.065 -14.221 8.337 530 HE3 TRP 81 HE3 TRP 81 -1.326 -16.141 6.023 531 HZ2 TRP 81 HZ2 TRP 81 3.617 -16.314 6.513 532 HZ3 TRP 81 HZ3 TRP 81 0.021 -17.761 4.738 533 HH2 TRP 81 HH2 TRP 81 2.451 -17.844 4.986 534 H ASN 82 HN ASN 82 0.115 -12.396 10.681 535 HA ASN 82 HA ASN 82 0.834 -13.069 12.728 536 HB2 ASN 82 HB2 ASN 82 -2.139 -13.345 12.982 537 HB3 ASN 82 HB1 ASN 82 -1.098 -13.920 14.281 538 HD21 ASN 82 HD21 ASN 82 -2.752 -11.313 13.070 539 HD22 ASN 82 HD22 ASN 82 -1.981 -10.057 13.973 540 H HIS 83 HN HIS 83 1.356 -14.863 10.798 541 HA HIS 83 HA HIS 83 1.011 -17.418 12.202 542 HB2 HIS 83 HB2 HIS 83 0.841 -17.148 9.197 543 HB3 HIS 83 HB1 HIS 83 0.587 -18.605 10.152 544 HD1 HIS 83 HD1 HIS 83 -1.423 -16.817 8.192 545 HD2 HIS 83 HD2 HIS 83 -1.587 -17.420 12.296 546 HE1 HIS 83 HE1 HIS 83 -3.812 -16.384 8.838 547 HE2 HIS 83 HE2 HIS 83 -3.911 -16.889 11.303 Start of MODEL 28 1 H1 SER 1 HT1 SER 1 19.352 3.369 -12.616 2 H2 SER 1 HT2 SER 1 18.799 1.834 -13.149 3 H3 SER 1 HT3 SER 1 20.318 1.976 -12.363 4 HA SER 1 HA SER 1 18.920 1.128 -10.777 5 HB2 SER 1 HB2 SER 1 18.591 3.202 -9.261 6 HB3 SER 1 HB1 SER 1 20.229 2.819 -9.791 7 HG SER 1 HG SER 1 19.618 5.062 -10.026 8 HA PRO 2 HA PRO 2 14.722 1.842 -12.667 9 HB2 PRO 2 HB2 PRO 2 14.410 -0.715 -11.165 10 HB3 PRO 2 HB1 PRO 2 13.834 -0.277 -12.777 11 HG2 PRO 2 HG2 PRO 2 15.955 -1.862 -12.472 12 HG3 PRO 2 HG1 PRO 2 15.897 -0.648 -13.763 13 HD2 PRO 2 HD2 PRO 2 17.414 -0.619 -11.199 14 HD3 PRO 2 HD1 PRO 2 17.854 0.054 -12.781 15 HA PRO 3 HA PRO 3 13.043 1.529 -8.110 16 HB2 PRO 3 HB2 PRO 3 15.473 1.356 -6.469 17 HB3 PRO 3 HB1 PRO 3 14.015 0.368 -6.416 18 HG2 PRO 3 HG2 PRO 3 16.353 -0.600 -7.316 19 HG3 PRO 3 HG1 PRO 3 14.796 -1.116 -7.991 20 HD2 PRO 3 HD2 PRO 3 16.772 0.855 -9.077 21 HD3 PRO 3 HD1 PRO 3 15.855 -0.405 -9.927 22 H VAL 4 HN VAL 4 13.665 3.749 -9.537 23 HA VAL 4 HA VAL 4 14.675 5.637 -7.515 24 HB VAL 4 HB VAL 4 15.174 7.147 -9.507 25 HG11 VAL 4 HG11 VAL 4 17.337 5.875 -9.997 26 HG12 VAL 4 HG12 VAL 4 16.729 4.658 -8.874 27 HG13 VAL 4 HG13 VAL 4 17.010 6.308 -8.319 28 HG21 VAL 4 HG21 VAL 4 14.057 6.121 -11.289 29 HG22 VAL 4 HG22 VAL 4 14.729 4.534 -10.916 30 HG23 VAL 4 HG23 VAL 4 15.764 5.794 -11.584 31 H CYS 5 HN CYS 5 13.654 7.678 -7.367 32 HA CYS 5 HA CYS 5 10.827 7.583 -7.965 33 HB2 CYS 5 HB2 CYS 5 12.568 9.090 -6.188 34 HB3 CYS 5 HB1 CYS 5 11.459 10.159 -7.039 35 H GLY 6 HN GLY 6 10.821 7.571 -10.191 36 HA2 GLY 6 HA2 GLY 6 10.241 9.624 -11.706 37 HA3 GLY 6 HA1 GLY 6 11.984 9.846 -11.608 38 H ASN 7 HN ASN 7 10.602 6.677 -11.554 39 HA ASN 7 HA ASN 7 11.383 6.209 -14.349 40 HB2 ASN 7 HB2 ASN 7 13.036 5.308 -12.621 41 HB3 ASN 7 HB1 ASN 7 11.764 4.203 -12.108 42 HD21 ASN 7 HD21 ASN 7 14.238 4.823 -14.348 43 HD22 ASN 7 HD22 ASN 7 13.990 3.448 -15.365 44 H LYS 8 HN LYS 8 8.895 6.601 -12.517 45 HA LYS 8 HA LYS 8 6.725 6.056 -12.716 46 HB2 LYS 8 HB2 LYS 8 7.603 3.851 -14.595 47 HB3 LYS 8 HB1 LYS 8 5.945 4.349 -14.304 48 HG2 LYS 8 HG2 LYS 8 6.299 5.538 -16.184 49 HG3 LYS 8 HG1 LYS 8 6.960 6.706 -15.038 50 HD2 LYS 8 HD2 LYS 8 9.108 6.332 -15.688 51 HD3 LYS 8 HD1 LYS 8 8.810 4.635 -16.073 52 HE2 LYS 8 HE2 LYS 8 7.804 6.948 -17.723 53 HE3 LYS 8 HE1 LYS 8 9.302 6.079 -18.053 54 HZ1 LYS 8 HZ1 LYS 8 6.907 4.454 -17.757 55 HZ2 LYS 8 HZ2 LYS 8 8.198 4.294 -18.838 56 HZ3 LYS 8 HZ3 LYS 8 6.978 5.426 -19.140 57 H ILE 9 HN ILE 9 9.023 4.613 -11.192 58 HA ILE 9 HA ILE 9 7.355 2.498 -10.022 59 HB ILE 9 HB ILE 9 10.372 2.756 -10.083 60 HG12 ILE 9 HG12 ILE 9 9.605 0.243 -11.014 61 HG13 ILE 9 HG11 ILE 9 8.431 1.345 -11.727 62 HG21 ILE 9 HG21 ILE 9 10.053 1.840 -7.999 63 HG22 ILE 9 HG22 ILE 9 10.129 0.390 -9.001 64 HG23 ILE 9 HG23 ILE 9 8.567 1.014 -8.469 65 HD11 ILE 9 HD11 ILE 9 11.402 1.289 -12.067 66 HD12 ILE 9 HD12 ILE 9 10.457 2.730 -12.444 67 HD13 ILE 9 HD13 ILE 9 10.138 1.219 -13.296 68 H LEU 10 HN LEU 10 7.344 2.402 -7.726 69 HA LEU 10 HA LEU 10 7.444 4.977 -6.485 70 HB2 LEU 10 HB2 LEU 10 7.080 3.371 -4.382 71 HB3 LEU 10 HB1 LEU 10 5.784 3.848 -5.459 72 HG LEU 10 HG LEU 10 7.300 1.346 -6.046 73 HD11 LEU 10 HD11 LEU 10 5.942 0.055 -4.581 74 HD12 LEU 10 HD12 LEU 10 5.008 1.474 -4.106 75 HD13 LEU 10 HD13 LEU 10 6.699 1.330 -3.625 76 HD21 LEU 10 HD21 LEU 10 4.357 1.782 -6.295 77 HD22 LEU 10 HD22 LEU 10 5.429 0.767 -7.260 78 HD23 LEU 10 HD23 LEU 10 5.454 2.519 -7.466 79 H GLU 11 HN GLU 11 9.887 4.765 -7.345 80 HA GLU 11 HA GLU 11 12.118 4.352 -6.882 81 HB2 GLU 11 HB2 GLU 11 11.670 6.569 -6.071 82 HB3 GLU 11 HB1 GLU 11 11.067 5.937 -4.548 83 HG2 GLU 11 HG2 GLU 11 13.392 4.969 -4.212 84 HG3 GLU 11 HG1 GLU 11 13.888 5.988 -5.561 85 H GLN 12 HN GLN 12 11.905 2.039 -6.604 86 HA GLN 12 HA GLN 12 12.397 0.117 -5.507 87 HB2 GLN 12 HB2 GLN 12 14.374 1.283 -4.710 88 HB3 GLN 12 HB1 GLN 12 13.453 2.005 -3.401 89 HG2 GLN 12 HG2 GLN 12 13.358 -0.919 -3.473 90 HG3 GLN 12 HG1 GLN 12 14.964 -0.242 -3.202 91 HE21 GLN 12 HE21 GLN 12 14.889 1.663 -1.576 92 HE22 GLN 12 HE22 GLN 12 14.011 1.348 -0.122 93 H GLY 13 HN GLY 13 11.802 1.849 -2.496 94 HA2 GLY 13 HA2 GLY 13 9.202 0.491 -2.262 95 HA3 GLY 13 HA1 GLY 13 10.397 0.314 -0.985 96 H GLU 14 HN GLU 14 10.063 3.300 -2.724 97 HA GLU 14 HA GLU 14 9.804 4.884 -0.455 98 HB2 GLU 14 HB2 GLU 14 9.455 5.257 -3.373 99 HB3 GLU 14 HB1 GLU 14 8.759 6.493 -2.331 100 HG2 GLU 14 HG2 GLU 14 11.629 5.593 -2.383 101 HG3 GLU 14 HG1 GLU 14 10.994 7.117 -3.001 102 H ASP 15 HN ASP 15 7.366 3.449 -2.513 103 HA ASP 15 HA ASP 15 5.267 2.730 -1.904 104 HB2 ASP 15 HB2 ASP 15 5.249 4.731 0.350 105 HB3 ASP 15 HB1 ASP 15 4.184 3.349 0.123 106 H CYS 16 HN CYS 16 6.014 4.969 -3.687 107 HA CYS 16 HA CYS 16 3.777 5.675 -4.873 108 HB2 CYS 16 HB2 CYS 16 3.805 7.073 -2.293 109 HB3 CYS 16 HB1 CYS 16 3.433 8.093 -3.675 110 H ASP 17 HN ASP 17 4.589 6.415 -6.687 111 HA ASP 17 HA ASP 17 6.034 8.888 -6.772 112 HB2 ASP 17 HB2 ASP 17 7.868 7.341 -6.185 113 HB3 ASP 17 HB1 ASP 17 7.493 6.380 -7.613 114 H CYS 18 HN CYS 18 6.547 9.558 -8.972 115 HA CYS 18 HA CYS 18 5.108 8.111 -11.073 116 HB2 CYS 18 HB2 CYS 18 4.762 10.877 -11.597 117 HB3 CYS 18 HB1 CYS 18 3.523 9.671 -11.284 118 H GLY 19 HN GLY 19 5.774 8.794 -13.256 119 HA2 GLY 19 HA2 GLY 19 8.460 8.730 -13.709 120 HA3 GLY 19 HA1 GLY 19 7.323 9.462 -14.830 121 H SER 20 HN SER 20 6.567 11.752 -13.896 122 HA SER 20 HA SER 20 8.898 13.190 -12.857 123 HB2 SER 20 HB2 SER 20 8.477 13.203 -15.515 124 HB3 SER 20 HB1 SER 20 7.424 14.540 -15.052 125 HG SER 20 HG SER 20 9.195 15.544 -14.086 126 HA PRO 21 HA PRO 21 5.998 15.086 -10.087 127 HB2 PRO 21 HB2 PRO 21 7.586 17.541 -10.708 128 HB3 PRO 21 HB1 PRO 21 7.094 16.887 -9.141 129 HG2 PRO 21 HG2 PRO 21 9.591 16.584 -10.020 130 HG3 PRO 21 HG1 PRO 21 8.770 15.288 -9.131 131 HD2 PRO 21 HD2 PRO 21 9.395 15.495 -12.029 132 HD3 PRO 21 HD1 PRO 21 9.262 14.057 -10.998 133 H ALA 22 HN ALA 22 6.803 16.575 -13.177 134 HA ALA 22 HA ALA 22 4.424 18.228 -13.181 135 HB1 ALA 22 HB1 ALA 22 6.797 17.908 -14.930 136 HB2 ALA 22 HB2 ALA 22 6.037 19.371 -14.306 137 HB3 ALA 22 HB3 ALA 22 5.316 18.517 -15.669 138 H ASN 23 HN ASN 23 5.380 15.102 -14.259 139 HA ASN 23 HA ASN 23 2.951 14.857 -15.894 140 HB2 ASN 23 HB2 ASN 23 5.527 13.284 -15.885 141 HB3 ASN 23 HB1 ASN 23 4.083 12.734 -16.728 142 HD21 ASN 23 HD21 ASN 23 3.100 14.457 -18.187 143 HD22 ASN 23 HD22 ASN 23 4.213 15.338 -19.172 144 H CYS 24 HN CYS 24 3.700 14.514 -12.846 145 HA CYS 24 HA CYS 24 3.254 11.926 -12.028 146 HB2 CYS 24 HB2 CYS 24 3.054 14.604 -10.847 147 HB3 CYS 24 HB1 CYS 24 2.059 13.384 -10.053 148 H GLN 25 HN GLN 25 1.713 10.989 -13.364 149 HA GLN 25 HA GLN 25 -1.011 11.994 -13.329 150 HB2 GLN 25 HB2 GLN 25 -1.486 10.160 -14.885 151 HB3 GLN 25 HB1 GLN 25 -0.110 11.115 -15.419 152 HG2 GLN 25 HG2 GLN 25 1.118 9.178 -13.968 153 HG3 GLN 25 HG1 GLN 25 -0.263 8.302 -14.627 154 HE21 GLN 25 HE21 GLN 25 2.833 9.473 -15.221 155 HE22 GLN 25 HE22 GLN 25 2.899 9.167 -16.920 156 H ASP 26 HN ASP 26 -0.049 11.213 -10.789 157 HA ASP 26 HA ASP 26 -1.958 9.081 -10.190 158 HB2 ASP 26 HB2 ASP 26 0.623 8.410 -10.276 159 HB3 ASP 26 HB1 ASP 26 0.595 9.087 -8.651 160 H ARG 27 HN ARG 27 -3.393 10.478 -9.261 161 HA ARG 27 HA ARG 27 -2.708 12.592 -7.530 162 HB2 ARG 27 HB2 ARG 27 -4.846 12.468 -8.724 163 HB3 ARG 27 HB1 ARG 27 -5.310 11.074 -7.758 164 HG2 ARG 27 HG2 ARG 27 -4.557 13.513 -6.274 165 HG3 ARG 27 HG1 ARG 27 -6.066 13.569 -7.187 166 HD2 ARG 27 HD2 ARG 27 -5.471 11.242 -5.406 167 HD3 ARG 27 HD1 ARG 27 -6.077 12.748 -4.718 168 HE ARG 27 HE ARG 27 -7.664 11.873 -6.916 169 HH11 ARG 27 HH11 ARG 27 -7.061 11.338 -3.521 170 HH12 ARG 27 HH12 ARG 27 -8.653 10.732 -3.206 171 HH21 ARG 27 HH21 ARG 27 -9.758 11.077 -6.504 172 HH22 ARG 27 HH22 ARG 27 -10.183 10.583 -4.899 173 H CYS 28 HN CYS 28 -2.861 9.215 -7.018 174 HA CYS 28 HA CYS 28 -3.180 9.498 -4.132 175 HB2 CYS 28 HB2 CYS 28 -2.870 6.994 -5.802 176 HB3 CYS 28 HB1 CYS 28 -3.279 7.056 -4.090 177 H CYS 29 HN CYS 29 -0.694 9.295 -6.458 178 HA CYS 29 HA CYS 29 1.264 8.833 -4.314 179 HB2 CYS 29 HB2 CYS 29 1.197 7.597 -7.058 180 HB3 CYS 29 HB1 CYS 29 2.698 7.742 -6.151 181 H ASN 30 HN ASN 30 2.731 10.389 -4.140 182 HA ASN 30 HA ASN 30 3.064 12.230 -6.414 183 HB2 ASN 30 HB2 ASN 30 2.050 13.251 -4.404 184 HB3 ASN 30 HB1 ASN 30 3.475 12.803 -3.474 185 HD21 ASN 30 HD21 ASN 30 4.780 14.438 -3.147 186 HD22 ASN 30 HD22 ASN 30 5.086 15.738 -4.241 187 H ALA 31 HN ALA 31 4.980 12.418 -7.320 188 HA ALA 31 HA ALA 31 7.171 10.774 -6.517 189 HB1 ALA 31 HB1 ALA 31 8.225 11.471 -8.491 190 HB2 ALA 31 HB2 ALA 31 7.345 12.998 -8.528 191 HB3 ALA 31 HB3 ALA 31 6.509 11.491 -8.891 192 H ALA 32 HN ALA 32 6.529 14.250 -6.500 193 HA ALA 32 HA ALA 32 8.977 15.218 -5.664 194 HB1 ALA 32 HB1 ALA 32 7.885 17.152 -5.675 195 HB2 ALA 32 HB2 ALA 32 6.837 16.635 -4.353 196 HB3 ALA 32 HB3 ALA 32 6.412 16.246 -6.020 197 H THR 33 HN THR 33 6.737 13.302 -3.884 198 HA THR 33 HA THR 33 8.224 13.862 -1.401 199 HB THR 33 HB THR 33 5.772 14.460 -1.394 200 HG1 THR 33 HG1 THR 33 5.786 13.997 0.651 201 HG21 THR 33 HG21 THR 33 5.229 12.248 -2.711 202 HG22 THR 33 HG22 THR 33 4.089 12.939 -1.558 203 HG23 THR 33 HG23 THR 33 5.111 11.584 -1.081 204 H CYS 34 HN CYS 34 7.217 11.514 -3.707 205 HA CYS 34 HA CYS 34 7.702 9.323 -3.983 206 HB2 CYS 34 HB2 CYS 34 9.708 9.931 -1.805 207 HB3 CYS 34 HB1 CYS 34 9.606 8.379 -2.624 208 H LYS 35 HN LYS 35 5.568 10.153 -2.340 209 HA LYS 35 HA LYS 35 5.056 7.685 -0.938 210 HB2 LYS 35 HB2 LYS 35 4.915 10.228 0.690 211 HB3 LYS 35 HB1 LYS 35 4.690 8.578 1.250 212 HG2 LYS 35 HG2 LYS 35 7.070 8.129 0.772 213 HG3 LYS 35 HG1 LYS 35 7.266 9.825 0.323 214 HD2 LYS 35 HD2 LYS 35 7.913 9.936 2.510 215 HD3 LYS 35 HD1 LYS 35 6.180 10.205 2.705 216 HE2 LYS 35 HE2 LYS 35 7.042 7.389 2.702 217 HE3 LYS 35 HE1 LYS 35 7.593 8.351 4.073 218 HZ1 LYS 35 HZ1 LYS 35 5.241 7.132 4.002 219 HZ2 LYS 35 HZ2 LYS 35 4.789 8.627 3.354 220 HZ3 LYS 35 HZ3 LYS 35 5.513 8.553 4.880 221 H LEU 36 HN LEU 36 2.813 7.886 0.196 222 HA LEU 36 HA LEU 36 0.910 8.525 -1.750 223 HB2 LEU 36 HB2 LEU 36 0.593 8.111 1.221 224 HB3 LEU 36 HB1 LEU 36 -0.749 8.228 0.099 225 HG LEU 36 HG LEU 36 1.316 6.187 -0.507 226 HD11 LEU 36 HD11 LEU 36 1.126 5.860 1.864 227 HD12 LEU 36 HD12 LEU 36 0.224 4.586 1.042 228 HD13 LEU 36 HD13 LEU 36 -0.634 5.940 1.777 229 HD21 LEU 36 HD21 LEU 36 -0.606 4.939 -1.261 230 HD22 LEU 36 HD22 LEU 36 -0.674 6.573 -1.920 231 HD23 LEU 36 HD23 LEU 36 -1.698 6.130 -0.555 232 H THR 37 HN THR 37 -0.489 10.219 -2.036 233 HA THR 37 HA THR 37 0.373 12.759 -0.947 234 HB THR 37 HB THR 37 -0.956 13.772 -2.606 235 HG1 THR 37 HG1 THR 37 -2.350 11.314 -2.821 236 HG21 THR 37 HG21 THR 37 0.011 13.026 -4.471 237 HG22 THR 37 HG22 THR 37 -0.611 11.390 -4.259 238 HG23 THR 37 HG23 THR 37 0.841 11.900 -3.398 239 HA PRO 38 HA PRO 38 -2.586 13.546 2.208 240 HB2 PRO 38 HB2 PRO 38 -3.697 15.780 0.575 241 HB3 PRO 38 HB1 PRO 38 -3.118 15.786 2.245 242 HG2 PRO 38 HG2 PRO 38 -1.639 16.834 0.298 243 HG3 PRO 38 HG1 PRO 38 -0.889 15.909 1.612 244 HD2 PRO 38 HD2 PRO 38 -1.420 15.103 -1.212 245 HD3 PRO 38 HD1 PRO 38 -0.054 14.688 -0.156 246 H GLY 39 HN GLY 39 -4.202 12.129 2.445 247 HA2 GLY 39 HA2 GLY 39 -6.616 11.852 2.267 248 HA3 GLY 39 HA1 GLY 39 -6.481 12.316 0.577 249 H SER 40 HN SER 40 -4.183 10.708 -0.012 250 HA SER 40 HA SER 40 -5.528 8.136 -0.258 251 HB2 SER 40 HB2 SER 40 -3.015 9.228 -1.542 252 HB3 SER 40 HB1 SER 40 -3.659 7.615 -1.842 253 HG SER 40 HG SER 40 -5.492 8.538 -2.727 254 H GLN 41 HN GLN 41 -4.956 6.339 0.806 255 HA GLN 41 HA GLN 41 -2.550 6.469 2.501 256 HB2 GLN 41 HB2 GLN 41 -5.277 5.345 2.953 257 HB3 GLN 41 HB1 GLN 41 -3.911 4.557 3.729 258 HG2 GLN 41 HG2 GLN 41 -3.349 7.040 4.442 259 HG3 GLN 41 HG1 GLN 41 -5.086 7.234 4.211 260 HE21 GLN 41 HE21 GLN 41 -6.481 6.359 5.660 261 HE22 GLN 41 HE22 GLN 41 -5.987 5.559 7.110 262 H CYS 42 HN CYS 42 -4.199 4.706 0.030 263 HA CYS 42 HA CYS 42 -2.097 2.640 0.134 264 HB2 CYS 42 HB2 CYS 42 -3.571 0.968 -0.157 265 HB3 CYS 42 HB1 CYS 42 -4.684 2.102 0.589 266 H ASN 43 HN ASN 43 -2.238 1.413 -2.092 267 HA ASN 43 HA ASN 43 -2.818 2.721 -4.472 268 HB2 ASN 43 HB2 ASN 43 -1.156 4.374 -3.907 269 HB3 ASN 43 HB1 ASN 43 0.023 3.126 -3.510 270 HD21 ASN 43 HD21 ASN 43 1.534 2.955 -4.985 271 HD22 ASN 43 HD22 ASN 43 1.329 3.142 -6.690 272 H TYR 44 HN TYR 44 -0.745 0.577 -2.681 273 HA TYR 44 HA TYR 44 -1.257 -1.567 -4.533 274 HB2 TYR 44 HB2 TYR 44 0.890 -1.982 -5.274 275 HB3 TYR 44 HB1 TYR 44 0.925 -0.225 -5.203 276 HD1 TYR 44 HD1 TYR 44 1.853 -3.283 -3.324 277 HD2 TYR 44 HD2 TYR 44 2.503 0.886 -3.857 278 HE1 TYR 44 HE1 TYR 44 3.787 -3.402 -1.822 279 HE2 TYR 44 HE2 TYR 44 4.446 0.783 -2.355 280 HH TYR 44 HH TYR 44 5.274 -0.667 -0.513 281 H GLY 45 HN GLY 45 -1.089 -3.588 -3.524 282 HA2 GLY 45 HA2 GLY 45 -0.105 -4.892 -1.668 283 HA3 GLY 45 HA1 GLY 45 -0.381 -3.483 -0.657 284 H GLU 46 HN GLU 46 -1.293 -5.971 0.066 285 HA GLU 46 HA GLU 46 -3.881 -6.673 -0.683 286 HB2 GLU 46 HB2 GLU 46 -2.260 -7.056 1.807 287 HB3 GLU 46 HB1 GLU 46 -3.935 -7.587 1.758 288 HG2 GLU 46 HG2 GLU 46 -2.285 -9.363 1.249 289 HG3 GLU 46 HG1 GLU 46 -3.482 -9.106 -0.020 290 H CYS 47 HN CYS 47 -2.810 -4.545 1.945 291 HA CYS 47 HA CYS 47 -5.395 -4.023 2.963 292 HB2 CYS 47 HB2 CYS 47 -2.673 -2.921 3.340 293 HB3 CYS 47 HB1 CYS 47 -4.015 -1.901 3.839 294 H CYS 48 HN CYS 48 -3.734 -2.744 0.219 295 HA CYS 48 HA CYS 48 -4.941 -0.206 0.147 296 HB2 CYS 48 HB2 CYS 48 -2.960 -0.643 -1.154 297 HB3 CYS 48 HB1 CYS 48 -3.782 -1.913 -2.055 298 H ASP 49 HN ASP 49 -6.869 0.455 -0.394 299 HA ASP 49 HA ASP 49 -8.511 -0.947 -2.301 300 HB2 ASP 49 HB2 ASP 49 -8.837 -1.755 0.277 301 HB3 ASP 49 HB1 ASP 49 -9.987 -0.423 0.207 302 H GLN 50 HN GLN 50 -9.017 0.698 -3.591 303 HA GLN 50 HA GLN 50 -9.821 2.689 -4.340 304 HB2 GLN 50 HB2 GLN 50 -11.148 2.394 -1.698 305 HB3 GLN 50 HB1 GLN 50 -11.178 3.993 -2.429 306 HG2 GLN 50 HG2 GLN 50 -11.917 1.748 -4.189 307 HG3 GLN 50 HG1 GLN 50 -13.034 2.114 -2.875 308 HE21 GLN 50 HE21 GLN 50 -10.993 4.230 -4.844 309 HE22 GLN 50 HE22 GLN 50 -12.286 5.192 -5.466 310 H CYS 51 HN CYS 51 -7.202 2.659 -3.537 311 HA CYS 51 HA CYS 51 -5.445 4.008 -3.028 312 HB2 CYS 51 HB2 CYS 51 -7.601 5.972 -3.662 313 HB3 CYS 51 HB1 CYS 51 -6.088 6.562 -2.980 314 H ARG 52 HN ARG 52 -7.373 3.042 -0.890 315 HA ARG 52 HA ARG 52 -6.199 4.614 1.272 316 HB2 ARG 52 HB2 ARG 52 -9.150 4.163 0.866 317 HB3 ARG 52 HB1 ARG 52 -8.474 4.502 2.453 318 HG2 ARG 52 HG2 ARG 52 -7.696 6.359 0.303 319 HG3 ARG 52 HG1 ARG 52 -9.394 6.390 0.782 320 HD2 ARG 52 HD2 ARG 52 -6.985 6.806 2.543 321 HD3 ARG 52 HD1 ARG 52 -8.204 8.000 2.099 322 HE ARG 52 HE ARG 52 -8.370 6.089 4.203 323 HH11 ARG 52 HH11 ARG 52 -10.282 7.824 1.855 324 HH12 ARG 52 HH12 ARG 52 -11.734 7.748 2.796 325 HH21 ARG 52 HH21 ARG 52 -10.279 5.987 5.442 326 HH22 ARG 52 HH22 ARG 52 -11.733 6.706 4.832 327 H PHE 53 HN PHE 53 -5.520 3.359 2.927 328 HA PHE 53 HA PHE 53 -5.397 0.590 2.683 329 HB2 PHE 53 HB2 PHE 53 -5.021 2.407 5.054 330 HB3 PHE 53 HB1 PHE 53 -4.841 0.661 5.195 331 HD1 PHE 53 HD1 PHE 53 -3.597 0.181 2.477 332 HD2 PHE 53 HD2 PHE 53 -2.809 3.065 5.504 333 HE1 PHE 53 HE1 PHE 53 -1.281 0.358 1.694 334 HE2 PHE 53 HE2 PHE 53 -0.482 3.250 4.724 335 HZ PHE 53 HZ PHE 53 0.286 1.895 2.815 336 H LYS 54 HN LYS 54 -6.459 -1.111 3.636 337 HA LYS 54 HA LYS 54 -9.251 -0.760 4.042 338 HB2 LYS 54 HB2 LYS 54 -7.342 -3.016 4.040 339 HB3 LYS 54 HB1 LYS 54 -8.778 -3.247 5.027 340 HG2 LYS 54 HG2 LYS 54 -10.128 -3.450 3.249 341 HG3 LYS 54 HG1 LYS 54 -9.291 -2.189 2.341 342 HD2 LYS 54 HD2 LYS 54 -7.402 -3.900 2.075 343 HD3 LYS 54 HD1 LYS 54 -8.586 -5.096 2.604 344 HE2 LYS 54 HE2 LYS 54 -9.984 -3.744 0.697 345 HE3 LYS 54 HE1 LYS 54 -8.346 -3.675 0.049 346 HZ1 LYS 54 HZ1 LYS 54 -9.838 -6.125 0.817 347 HZ2 LYS 54 HZ2 LYS 54 -8.225 -6.103 0.309 348 HZ3 LYS 54 HZ3 LYS 54 -9.452 -5.631 -0.755 349 H LYS 55 HN LYS 55 -10.032 0.230 5.787 350 HA LYS 55 HA LYS 55 -8.929 0.908 8.124 351 HB2 LYS 55 HB2 LYS 55 -11.251 1.443 7.470 352 HB3 LYS 55 HB1 LYS 55 -11.733 -0.197 7.884 353 HG2 LYS 55 HG2 LYS 55 -11.334 0.161 10.182 354 HG3 LYS 55 HG1 LYS 55 -10.479 1.674 9.871 355 HD2 LYS 55 HD2 LYS 55 -12.474 2.788 9.264 356 HD3 LYS 55 HD1 LYS 55 -13.372 1.273 9.150 357 HE2 LYS 55 HE2 LYS 55 -14.094 1.929 11.198 358 HE3 LYS 55 HE1 LYS 55 -12.618 1.106 11.699 359 HZ1 LYS 55 HZ1 LYS 55 -12.825 3.279 12.736 360 HZ2 LYS 55 HZ2 LYS 55 -12.886 4.025 11.219 361 HZ3 LYS 55 HZ3 LYS 55 -11.476 3.232 11.715 362 H ALA 56 HN ALA 56 -8.022 -0.038 9.826 363 HA ALA 56 HA ALA 56 -7.325 -2.610 10.089 364 HB1 ALA 56 HB1 ALA 56 -6.378 -1.300 11.712 365 HB2 ALA 56 HB2 ALA 56 -7.556 -2.207 12.663 366 HB3 ALA 56 HB3 ALA 56 -7.912 -0.553 12.158 367 H GLY 57 HN GLY 57 -8.219 -4.512 10.530 368 HA2 GLY 57 HA2 GLY 57 -9.882 -5.785 11.835 369 HA3 GLY 57 HA1 GLY 57 -11.033 -4.506 11.461 370 H THR 58 HN THR 58 -9.560 -4.521 8.699 371 HA THR 58 HA THR 58 -11.476 -6.243 7.419 372 HB THR 58 HB THR 58 -9.150 -4.685 6.257 373 HG1 THR 58 HG1 THR 58 -11.915 -4.046 6.361 374 HG21 THR 58 HG21 THR 58 -11.381 -5.101 4.495 375 HG22 THR 58 HG22 THR 58 -10.698 -6.639 5.030 376 HG23 THR 58 HG23 THR 58 -9.666 -5.437 4.248 377 H VAL 59 HN VAL 59 -11.180 -8.358 7.070 378 HA VAL 59 HA VAL 59 -8.617 -9.549 7.574 379 HB VAL 59 HB VAL 59 -10.689 -10.675 8.281 380 HG11 VAL 59 HG11 VAL 59 -11.302 -11.605 5.545 381 HG12 VAL 59 HG12 VAL 59 -11.756 -9.947 5.938 382 HG13 VAL 59 HG13 VAL 59 -12.378 -11.284 6.905 383 HG21 VAL 59 HG21 VAL 59 -8.612 -11.920 6.632 384 HG22 VAL 59 HG22 VAL 59 -10.078 -12.883 6.808 385 HG23 VAL 59 HG23 VAL 59 -9.197 -12.349 8.239 386 H CYS 60 HN CYS 60 -7.054 -9.738 6.114 387 HA CYS 60 HA CYS 60 -7.769 -9.706 3.266 388 HB2 CYS 60 HB2 CYS 60 -5.024 -9.376 4.464 389 HB3 CYS 60 HB1 CYS 60 -5.510 -9.036 2.810 390 H ARG 61 HN ARG 61 -6.380 -11.711 5.728 391 HA ARG 61 HA ARG 61 -6.215 -13.922 3.832 392 HB2 ARG 61 HB2 ARG 61 -3.914 -12.537 4.570 393 HB3 ARG 61 HB1 ARG 61 -3.904 -13.960 5.603 394 HG2 ARG 61 HG2 ARG 61 -4.461 -15.150 3.290 395 HG3 ARG 61 HG1 ARG 61 -3.613 -13.737 2.666 396 HD2 ARG 61 HD2 ARG 61 -2.602 -16.014 4.280 397 HD3 ARG 61 HD1 ARG 61 -1.844 -15.156 2.944 398 HE ARG 61 HE ARG 61 -1.384 -14.698 5.668 399 HH11 ARG 61 HH11 ARG 61 -1.913 -12.904 2.717 400 HH12 ARG 61 HH12 ARG 61 -1.066 -11.502 3.275 401 HH21 ARG 61 HH21 ARG 61 -0.274 -12.857 6.398 402 HH22 ARG 61 HH22 ARG 61 -0.131 -11.476 5.362 403 H ILE 62 HN ILE 62 -5.315 -15.933 5.227 404 HA ILE 62 HA ILE 62 -5.922 -16.112 7.943 405 HB ILE 62 HB ILE 62 -8.222 -15.736 7.403 406 HG12 ILE 62 HG12 ILE 62 -9.252 -17.850 8.182 407 HG13 ILE 62 HG11 ILE 62 -7.728 -18.681 7.887 408 HG21 ILE 62 HG21 ILE 62 -9.211 -17.746 5.889 409 HG22 ILE 62 HG22 ILE 62 -7.629 -17.513 5.143 410 HG23 ILE 62 HG23 ILE 62 -8.756 -16.161 5.263 411 HD11 ILE 62 HD11 ILE 62 -6.688 -17.061 9.523 412 HD12 ILE 62 HD12 ILE 62 -7.804 -18.251 10.192 413 HD13 ILE 62 HD13 ILE 62 -8.333 -16.587 9.946 414 H ALA 63 HN ALA 63 -5.084 -17.934 8.713 415 HA ALA 63 HA ALA 63 -3.606 -19.652 7.086 416 HB1 ALA 63 HB1 ALA 63 -4.236 -20.950 9.556 417 HB2 ALA 63 HB2 ALA 63 -3.922 -19.238 9.840 418 HB3 ALA 63 HB3 ALA 63 -2.715 -20.233 9.027 419 H ARG 64 HN ARG 64 -6.182 -20.877 9.192 420 HA ARG 64 HA ARG 64 -7.768 -21.971 7.138 421 HB2 ARG 64 HB2 ARG 64 -5.491 -23.360 7.215 422 HB3 ARG 64 HB1 ARG 64 -6.350 -24.204 8.497 423 HG2 ARG 64 HG2 ARG 64 -6.852 -25.446 6.611 424 HG3 ARG 64 HG1 ARG 64 -8.265 -24.404 6.790 425 HD2 ARG 64 HD2 ARG 64 -7.470 -22.926 5.083 426 HD3 ARG 64 HD1 ARG 64 -5.923 -23.768 5.004 427 HE ARG 64 HE ARG 64 -8.376 -24.531 3.728 428 HH11 ARG 64 HH11 ARG 64 -5.342 -25.705 4.992 429 HH12 ARG 64 HH12 ARG 64 -5.323 -27.113 3.983 430 HH21 ARG 64 HH21 ARG 64 -8.353 -26.382 2.401 431 HH22 ARG 64 HH22 ARG 64 -7.033 -27.497 2.512 432 H GLY 65 HN GLY 65 -9.008 -20.776 8.863 433 HA2 GLY 65 HA2 GLY 65 -10.853 -22.165 10.137 434 HA3 GLY 65 HA1 GLY 65 -9.517 -22.369 11.261 435 H ASP 66 HN ASP 66 -9.373 -20.949 12.844 436 HA ASP 66 HA ASP 66 -9.805 -18.167 12.521 437 HB2 ASP 66 HB2 ASP 66 -12.055 -19.832 13.519 438 HB3 ASP 66 HB1 ASP 66 -11.739 -18.328 14.378 439 H TRP 67 HN TRP 67 -7.725 -18.279 13.465 440 HA TRP 67 HA TRP 67 -7.743 -18.792 16.369 441 HB2 TRP 67 HB2 TRP 67 -5.074 -18.851 15.475 442 HB3 TRP 67 HB1 TRP 67 -6.043 -20.214 16.017 443 HD1 TRP 67 HD1 TRP 67 -5.360 -18.310 12.692 444 HE1 TRP 67 HE1 TRP 67 -5.477 -20.012 10.782 445 HE3 TRP 67 HE3 TRP 67 -6.649 -22.449 15.383 446 HZ2 TRP 67 HZ2 TRP 67 -6.027 -22.760 10.449 447 HZ3 TRP 67 HZ3 TRP 67 -6.950 -24.586 14.194 448 HH2 TRP 67 HH2 TRP 67 -6.644 -24.735 11.775 449 H ASN 68 HN ASN 68 -5.617 -17.170 14.063 450 HA ASN 68 HA ASN 68 -5.637 -14.784 15.792 451 HB2 ASN 68 HB2 ASN 68 -3.503 -15.311 13.755 452 HB3 ASN 68 HB1 ASN 68 -3.422 -14.340 15.220 453 HD21 ASN 68 HD21 ASN 68 -3.681 -17.653 14.041 454 HD22 ASN 68 HD22 ASN 68 -2.870 -18.385 15.379 455 H ASP 69 HN ASP 69 -5.992 -16.027 12.558 456 HA ASP 69 HA ASP 69 -6.833 -15.130 10.646 457 HB2 ASP 69 HB2 ASP 69 -7.902 -13.276 12.725 458 HB3 ASP 69 HB1 ASP 69 -8.112 -12.887 11.023 459 H ASP 70 HN ASP 70 -6.805 -13.140 9.251 460 HA ASP 70 HA ASP 70 -4.344 -11.609 9.728 461 HB2 ASP 70 HB2 ASP 70 -4.177 -13.243 7.831 462 HB3 ASP 70 HB1 ASP 70 -5.488 -12.380 7.043 463 H TYR 71 HN TYR 71 -4.752 -9.536 10.101 464 HA TYR 71 HA TYR 71 -7.057 -8.336 8.731 465 HB2 TYR 71 HB2 TYR 71 -6.380 -8.276 11.649 466 HB3 TYR 71 HB1 TYR 71 -7.393 -7.040 10.909 467 HD1 TYR 71 HD1 TYR 71 -9.438 -7.798 9.657 468 HD2 TYR 71 HD2 TYR 71 -7.312 -10.326 12.318 469 HE1 TYR 71 HE1 TYR 71 -11.421 -9.209 9.858 470 HE2 TYR 71 HE2 TYR 71 -9.279 -11.770 12.541 471 HH TYR 71 HH TYR 71 -11.744 -11.848 10.503 472 H CYS 72 HN CYS 72 -6.947 -6.257 8.156 473 HA CYS 72 HA CYS 72 -4.386 -5.097 7.781 474 HB2 CYS 72 HB2 CYS 72 -6.490 -4.802 6.349 475 HB3 CYS 72 HB1 CYS 72 -7.012 -3.637 7.561 476 H THR 73 HN THR 73 -3.798 -2.896 8.537 477 HA THR 73 HA THR 73 -4.777 -2.409 11.274 478 HB THR 73 HB THR 73 -2.601 -1.914 12.019 479 HG1 THR 73 HG1 THR 73 -1.009 -1.285 10.746 480 HG21 THR 73 HG21 THR 73 -3.074 -4.399 11.008 481 HG22 THR 73 HG22 THR 73 -1.673 -3.938 11.976 482 HG23 THR 73 HG23 THR 73 -1.563 -3.955 10.215 483 H GLY 74 HN GLY 74 -5.078 -1.203 8.338 484 HA2 GLY 74 HA2 GLY 74 -5.458 0.870 7.436 485 HA3 GLY 74 HA1 GLY 74 -5.929 1.322 9.067 486 H LYS 75 HN LYS 75 -2.682 0.246 8.488 487 HA LYS 75 HA LYS 75 -1.739 3.027 8.450 488 HB2 LYS 75 HB2 LYS 75 -0.464 0.913 10.177 489 HB3 LYS 75 HB1 LYS 75 -0.148 2.642 10.175 490 HG2 LYS 75 HG2 LYS 75 -2.862 2.436 10.723 491 HG3 LYS 75 HG1 LYS 75 -2.119 1.124 11.640 492 HD2 LYS 75 HD2 LYS 75 -0.415 2.930 12.375 493 HD3 LYS 75 HD1 LYS 75 -1.642 4.076 11.832 494 HE2 LYS 75 HE2 LYS 75 -1.715 3.485 14.278 495 HE3 LYS 75 HE1 LYS 75 -3.225 3.261 13.396 496 HZ1 LYS 75 HZ1 LYS 75 -1.464 0.952 13.521 497 HZ2 LYS 75 HZ2 LYS 75 -3.148 1.038 13.653 498 HZ3 LYS 75 HZ3 LYS 75 -2.175 1.415 14.985 499 H SER 76 HN SER 76 -1.768 0.272 6.774 500 HA SER 76 HA SER 76 0.469 0.952 5.193 501 HB2 SER 76 HB2 SER 76 1.610 -0.081 7.198 502 HB3 SER 76 HB1 SER 76 0.840 -1.606 6.759 503 HG SER 76 HG SER 76 2.594 -1.805 5.595 504 H SER 77 HN SER 77 0.948 -0.814 3.545 505 HA SER 77 HA SER 77 -1.597 -1.821 2.571 506 HB2 SER 77 HB2 SER 77 0.546 -2.554 0.840 507 HB3 SER 77 HB1 SER 77 -0.698 -1.331 0.583 508 HG SER 77 HG SER 77 1.834 -0.893 0.850 509 H ASP 78 HN ASP 78 0.271 -3.030 4.804 510 HA ASP 78 HA ASP 78 0.324 -5.763 3.720 511 HB2 ASP 78 HB2 ASP 78 1.849 -4.581 6.050 512 HB3 ASP 78 HB1 ASP 78 1.938 -6.261 5.531 513 H CYS 79 HN CYS 79 -0.881 -7.318 4.610 514 HA CYS 79 HA CYS 79 -2.503 -6.614 6.968 515 HB2 CYS 79 HB2 CYS 79 -3.210 -7.665 4.409 516 HB3 CYS 79 HB1 CYS 79 -3.561 -8.891 5.622 517 HA PRO 80 HA PRO 80 0.231 -9.841 8.688 518 HB2 PRO 80 HB2 PRO 80 -0.352 -9.285 11.288 519 HB3 PRO 80 HB1 PRO 80 0.839 -8.381 10.347 520 HG2 PRO 80 HG2 PRO 80 -2.010 -7.691 10.959 521 HG3 PRO 80 HG1 PRO 80 -0.574 -6.650 10.998 522 HD2 PRO 80 HD2 PRO 80 -2.300 -6.627 8.928 523 HD3 PRO 80 HD1 PRO 80 -0.557 -6.371 8.704 524 H TRP 81 HN TRP 81 -0.347 -11.890 8.883 525 HA TRP 81 HA TRP 81 -3.095 -12.565 9.567 526 HB2 TRP 81 HB2 TRP 81 -2.613 -14.781 8.669 527 HB3 TRP 81 HB1 TRP 81 -2.245 -13.515 7.508 528 HD1 TRP 81 HD1 TRP 81 0.715 -13.073 9.249 529 HE1 TRP 81 HE1 TRP 81 2.604 -14.650 8.507 530 HE3 TRP 81 HE3 TRP 81 -2.089 -16.624 6.933 531 HZ2 TRP 81 HZ2 TRP 81 2.857 -17.092 7.110 532 HZ3 TRP 81 HZ3 TRP 81 -0.960 -18.564 5.913 533 HH2 TRP 81 HH2 TRP 81 1.471 -18.792 6.007 534 H ASN 82 HN ASN 82 -0.076 -12.537 10.993 535 HA ASN 82 HA ASN 82 0.739 -13.227 13.000 536 HB2 ASN 82 HB2 ASN 82 -2.207 -13.637 13.537 537 HB3 ASN 82 HB1 ASN 82 -0.956 -13.792 14.768 538 HD21 ASN 82 HD21 ASN 82 -2.327 -12.094 15.752 539 HD22 ASN 82 HD22 ASN 82 -1.979 -10.449 15.356 540 H HIS 83 HN HIS 83 0.749 -15.091 10.888 541 HA HIS 83 HA HIS 83 0.605 -17.596 12.418 542 HB2 HIS 83 HB2 HIS 83 -0.094 -17.374 9.487 543 HB3 HIS 83 HB1 HIS 83 -0.246 -18.795 10.516 544 HD1 HIS 83 HD1 HIS 83 -2.528 -17.064 8.894 545 HD2 HIS 83 HD2 HIS 83 -1.880 -17.314 12.988 546 HE1 HIS 83 HE1 HIS 83 -4.719 -16.444 9.962 547 HE2 HIS 83 HE2 HIS 83 -4.311 -16.650 12.439 Start of MODEL 29 1 H1 SER 1 HT1 SER 1 13.203 -4.500 -12.190 2 H2 SER 1 HT2 SER 1 14.247 -4.560 -10.830 3 H3 SER 1 HT3 SER 1 14.665 -3.606 -12.194 4 HA SER 1 HA SER 1 13.033 -2.067 -11.783 5 HB2 SER 1 HB2 SER 1 11.303 -2.454 -10.036 6 HB3 SER 1 HB1 SER 1 11.228 -3.645 -11.335 7 HG SER 1 HG SER 1 12.658 -4.102 -8.938 8 HA PRO 2 HA PRO 2 16.262 -1.433 -8.515 9 HB2 PRO 2 HB2 PRO 2 17.247 0.861 -9.578 10 HB3 PRO 2 HB1 PRO 2 17.792 -0.742 -10.086 11 HG2 PRO 2 HG2 PRO 2 15.814 1.088 -11.392 12 HG3 PRO 2 HG1 PRO 2 17.104 0.123 -12.133 13 HD2 PRO 2 HD2 PRO 2 14.512 -0.659 -12.141 14 HD3 PRO 2 HD1 PRO 2 15.858 -1.816 -12.078 15 HA PRO 3 HA PRO 3 14.089 1.855 -6.460 16 HB2 PRO 3 HB2 PRO 3 15.964 2.735 -4.739 17 HB3 PRO 3 HB1 PRO 3 15.276 1.113 -4.633 18 HG2 PRO 3 HG2 PRO 3 17.959 1.951 -5.482 19 HG3 PRO 3 HG1 PRO 3 17.402 0.368 -4.923 20 HD2 PRO 3 HD2 PRO 3 17.814 1.282 -7.632 21 HD3 PRO 3 HD1 PRO 3 17.362 -0.339 -7.070 22 H VAL 4 HN VAL 4 13.733 3.363 -8.192 23 HA VAL 4 HA VAL 4 15.574 5.666 -8.126 24 HB VAL 4 HB VAL 4 14.365 6.080 -10.469 25 HG11 VAL 4 HG11 VAL 4 16.324 4.942 -11.536 26 HG12 VAL 4 HG12 VAL 4 16.749 4.318 -9.942 27 HG13 VAL 4 HG13 VAL 4 16.735 6.057 -10.233 28 HG21 VAL 4 HG21 VAL 4 13.965 4.074 -11.697 29 HG22 VAL 4 HG22 VAL 4 13.033 3.968 -10.203 30 HG23 VAL 4 HG23 VAL 4 14.544 3.073 -10.365 31 H CYS 5 HN CYS 5 14.652 7.216 -6.936 32 HA CYS 5 HA CYS 5 11.772 7.491 -6.797 33 HB2 CYS 5 HB2 CYS 5 12.810 7.934 -4.731 34 HB3 CYS 5 HB1 CYS 5 14.104 8.865 -5.470 35 H GLY 6 HN GLY 6 10.903 8.253 -8.613 36 HA2 GLY 6 HA2 GLY 6 10.281 10.344 -9.732 37 HA3 GLY 6 HA1 GLY 6 11.995 10.758 -9.736 38 H ASN 7 HN ASN 7 10.871 7.545 -10.321 39 HA ASN 7 HA ASN 7 11.435 7.781 -13.195 40 HB2 ASN 7 HB2 ASN 7 13.351 6.730 -12.041 41 HB3 ASN 7 HB1 ASN 7 12.268 5.533 -11.333 42 HD21 ASN 7 HD21 ASN 7 13.531 6.768 -14.381 43 HD22 ASN 7 HD22 ASN 7 13.366 5.289 -15.259 44 H LYS 8 HN LYS 8 9.114 7.411 -11.066 45 HA LYS 8 HA LYS 8 7.000 6.623 -11.184 46 HB2 LYS 8 HB2 LYS 8 7.556 6.773 -13.774 47 HB3 LYS 8 HB1 LYS 8 7.529 5.019 -13.647 48 HG2 LYS 8 HG2 LYS 8 5.236 5.526 -12.412 49 HG3 LYS 8 HG1 LYS 8 5.319 6.976 -13.414 50 HD2 LYS 8 HD2 LYS 8 4.249 5.587 -14.872 51 HD3 LYS 8 HD1 LYS 8 5.919 5.191 -15.283 52 HE2 LYS 8 HE2 LYS 8 5.522 3.446 -13.286 53 HE3 LYS 8 HE1 LYS 8 3.870 3.585 -13.883 54 HZ1 LYS 8 HZ1 LYS 8 5.385 1.811 -14.898 55 HZ2 LYS 8 HZ2 LYS 8 6.110 3.088 -15.738 56 HZ3 LYS 8 HZ3 LYS 8 4.464 2.763 -15.952 57 H ILE 9 HN ILE 9 9.440 5.174 -10.144 58 HA ILE 9 HA ILE 9 8.289 2.470 -10.060 59 HB ILE 9 HB ILE 9 10.859 3.183 -10.777 60 HG12 ILE 9 HG12 ILE 9 10.005 1.102 -11.452 61 HG13 ILE 9 HG11 ILE 9 11.335 0.697 -10.371 62 HG21 ILE 9 HG21 ILE 9 12.357 2.377 -9.066 63 HG22 ILE 9 HG22 ILE 9 11.001 2.109 -7.975 64 HG23 ILE 9 HG23 ILE 9 11.424 3.749 -8.467 65 HD11 ILE 9 HD11 ILE 9 9.355 0.697 -8.595 66 HD12 ILE 9 HD12 ILE 9 9.786 -0.722 -9.549 67 HD13 ILE 9 HD13 ILE 9 8.430 0.293 -10.040 68 H LEU 10 HN LEU 10 7.549 1.753 -8.181 69 HA LEU 10 HA LEU 10 7.875 3.398 -5.804 70 HB2 LEU 10 HB2 LEU 10 6.445 0.812 -5.620 71 HB3 LEU 10 HB1 LEU 10 6.005 2.383 -4.979 72 HG LEU 10 HG LEU 10 5.592 2.887 -7.570 73 HD11 LEU 10 HD11 LEU 10 5.799 1.051 -8.814 74 HD12 LEU 10 HD12 LEU 10 4.303 0.499 -8.061 75 HD13 LEU 10 HD13 LEU 10 5.860 -0.001 -7.399 76 HD21 LEU 10 HD21 LEU 10 3.411 2.973 -6.996 77 HD22 LEU 10 HD22 LEU 10 4.048 2.667 -5.380 78 HD23 LEU 10 HD23 LEU 10 3.405 1.335 -6.342 79 H GLU 11 HN GLU 11 10.272 2.658 -6.326 80 HA GLU 11 HA GLU 11 10.804 0.315 -4.623 81 HB2 GLU 11 HB2 GLU 11 11.261 -0.125 -7.022 82 HB3 GLU 11 HB1 GLU 11 12.426 1.191 -7.014 83 HG2 GLU 11 HG2 GLU 11 13.438 -1.057 -6.820 84 HG3 GLU 11 HG1 GLU 11 13.839 0.025 -5.487 85 H GLN 12 HN GLN 12 12.197 3.359 -5.885 86 HA GLN 12 HA GLN 12 14.302 3.447 -3.975 87 HB2 GLN 12 HB2 GLN 12 13.785 4.845 -6.190 88 HB3 GLN 12 HB1 GLN 12 13.208 6.003 -5.008 89 HG2 GLN 12 HG2 GLN 12 15.863 4.794 -4.529 90 HG3 GLN 12 HG1 GLN 12 15.724 5.942 -5.859 91 HE21 GLN 12 HE21 GLN 12 16.257 7.916 -5.302 92 HE22 GLN 12 HE22 GLN 12 15.999 8.653 -3.760 93 H GLY 13 HN GLY 13 12.561 2.747 -2.229 94 HA2 GLY 13 HA2 GLY 13 11.292 3.275 -0.377 95 HA3 GLY 13 HA1 GLY 13 12.548 4.482 -0.162 96 H GLU 14 HN GLU 14 10.084 4.395 -2.714 97 HA GLU 14 HA GLU 14 9.228 7.052 -1.841 98 HB2 GLU 14 HB2 GLU 14 8.251 5.711 -4.340 99 HB3 GLU 14 HB1 GLU 14 8.411 7.427 -3.999 100 HG2 GLU 14 HG2 GLU 14 10.168 7.162 -5.396 101 HG3 GLU 14 HG1 GLU 14 10.970 6.798 -3.870 102 H ASP 15 HN ASP 15 7.643 4.119 -3.097 103 HA ASP 15 HA ASP 15 5.745 3.027 -2.436 104 HB2 ASP 15 HB2 ASP 15 6.603 3.998 -0.070 105 HB3 ASP 15 HB1 ASP 15 5.093 4.892 -0.222 106 H CYS 16 HN CYS 16 5.993 5.713 -3.936 107 HA CYS 16 HA CYS 16 3.570 5.926 -5.096 108 HB2 CYS 16 HB2 CYS 16 3.481 7.096 -2.417 109 HB3 CYS 16 HB1 CYS 16 2.994 8.226 -3.675 110 H ASP 17 HN ASP 17 5.476 6.281 -6.499 111 HA ASP 17 HA ASP 17 6.057 9.160 -6.678 112 HB2 ASP 17 HB2 ASP 17 8.082 8.232 -5.895 113 HB3 ASP 17 HB1 ASP 17 7.946 6.831 -6.950 114 H CYS 18 HN CYS 18 6.656 9.903 -8.798 115 HA CYS 18 HA CYS 18 5.560 8.279 -10.996 116 HB2 CYS 18 HB2 CYS 18 5.174 11.232 -10.484 117 HB3 CYS 18 HB1 CYS 18 4.803 10.451 -12.013 118 H GLY 19 HN GLY 19 6.693 8.369 -12.931 119 HA2 GLY 19 HA2 GLY 19 9.403 8.734 -12.957 120 HA3 GLY 19 HA1 GLY 19 8.405 8.860 -14.398 121 H SER 20 HN SER 20 6.962 11.157 -13.829 122 HA SER 20 HA SER 20 8.969 13.237 -13.363 123 HB2 SER 20 HB2 SER 20 7.178 13.087 -15.799 124 HB3 SER 20 HB1 SER 20 8.169 14.480 -15.364 125 HG SER 20 HG SER 20 9.663 13.496 -16.459 126 HA PRO 21 HA PRO 21 5.732 14.747 -10.661 127 HB2 PRO 21 HB2 PRO 21 7.083 17.324 -11.349 128 HB3 PRO 21 HB1 PRO 21 6.592 16.699 -9.770 129 HG2 PRO 21 HG2 PRO 21 9.143 16.615 -10.532 130 HG3 PRO 21 HG1 PRO 21 8.419 15.282 -9.614 131 HD2 PRO 21 HD2 PRO 21 9.146 15.423 -12.493 132 HD3 PRO 21 HD1 PRO 21 9.119 14.027 -11.398 133 H ALA 22 HN ALA 22 6.479 16.078 -13.822 134 HA ALA 22 HA ALA 22 3.971 17.521 -13.991 135 HB1 ALA 22 HB1 ALA 22 4.929 17.665 -16.490 136 HB2 ALA 22 HB2 ALA 22 6.426 17.320 -15.623 137 HB3 ALA 22 HB3 ALA 22 5.461 18.731 -15.190 138 H ASN 23 HN ASN 23 5.294 14.460 -14.950 139 HA ASN 23 HA ASN 23 2.875 13.870 -16.512 140 HB2 ASN 23 HB2 ASN 23 5.287 13.571 -17.464 141 HB3 ASN 23 HB1 ASN 23 5.306 12.110 -16.481 142 HD21 ASN 23 HD21 ASN 23 5.232 12.688 -19.448 143 HD22 ASN 23 HD22 ASN 23 3.951 11.691 -20.037 144 H CYS 24 HN CYS 24 3.287 13.843 -13.526 145 HA CYS 24 HA CYS 24 3.307 11.176 -12.629 146 HB2 CYS 24 HB2 CYS 24 3.780 13.137 -11.186 147 HB3 CYS 24 HB1 CYS 24 2.082 13.588 -11.287 148 H GLN 25 HN GLN 25 1.907 10.030 -13.935 149 HA GLN 25 HA GLN 25 -0.887 10.728 -14.086 150 HB2 GLN 25 HB2 GLN 25 -1.120 8.707 -15.425 151 HB3 GLN 25 HB1 GLN 25 0.250 9.658 -15.981 152 HG2 GLN 25 HG2 GLN 25 1.543 8.059 -14.302 153 HG3 GLN 25 HG1 GLN 25 0.182 7.003 -14.680 154 HE21 GLN 25 HE21 GLN 25 2.926 8.723 -15.984 155 HE22 GLN 25 HE22 GLN 25 3.036 7.829 -17.458 156 H ASP 26 HN ASP 26 -0.077 10.405 -11.417 157 HA ASP 26 HA ASP 26 -1.790 8.166 -10.639 158 HB2 ASP 26 HB2 ASP 26 0.813 8.780 -9.227 159 HB3 ASP 26 HB1 ASP 26 -0.279 7.433 -8.918 160 H ARG 27 HN ARG 27 -3.449 9.494 -10.036 161 HA ARG 27 HA ARG 27 -3.157 11.907 -8.614 162 HB2 ARG 27 HB2 ARG 27 -5.153 11.349 -9.919 163 HB3 ARG 27 HB1 ARG 27 -5.543 10.064 -8.785 164 HG2 ARG 27 HG2 ARG 27 -6.285 11.504 -7.186 165 HG3 ARG 27 HG1 ARG 27 -5.213 12.807 -7.705 166 HD2 ARG 27 HD2 ARG 27 -6.651 13.527 -9.334 167 HD3 ARG 27 HD1 ARG 27 -7.366 11.932 -9.560 168 HE ARG 27 HE ARG 27 -8.226 13.974 -7.735 169 HH11 ARG 27 HH11 ARG 27 -8.196 10.542 -8.364 170 HH12 ARG 27 HH12 ARG 27 -9.610 10.229 -7.415 171 HH21 ARG 27 HH21 ARG 27 -10.085 13.565 -6.486 172 HH22 ARG 27 HH22 ARG 27 -10.683 11.945 -6.349 173 H CYS 28 HN CYS 28 -2.894 8.675 -7.577 174 HA CYS 28 HA CYS 28 -3.529 9.343 -4.803 175 HB2 CYS 28 HB2 CYS 28 -4.173 7.140 -6.160 176 HB3 CYS 28 HB1 CYS 28 -2.592 6.625 -5.583 177 H CYS 29 HN CYS 29 -0.839 9.026 -6.896 178 HA CYS 29 HA CYS 29 0.977 9.107 -4.576 179 HB2 CYS 29 HB2 CYS 29 1.462 7.735 -7.227 180 HB3 CYS 29 HB1 CYS 29 2.645 7.894 -5.938 181 H ASN 30 HN ASN 30 2.531 10.673 -4.592 182 HA ASN 30 HA ASN 30 2.578 12.440 -6.953 183 HB2 ASN 30 HB2 ASN 30 1.663 13.561 -5.009 184 HB3 ASN 30 HB1 ASN 30 3.058 13.098 -4.042 185 HD21 ASN 30 HD21 ASN 30 4.085 14.918 -3.592 186 HD22 ASN 30 HD22 ASN 30 4.557 16.120 -4.738 187 H ALA 31 HN ALA 31 4.417 12.802 -7.991 188 HA ALA 31 HA ALA 31 6.770 11.310 -7.348 189 HB1 ALA 31 HB1 ALA 31 7.507 13.170 -9.260 190 HB2 ALA 31 HB2 ALA 31 5.789 12.911 -9.564 191 HB3 ALA 31 HB3 ALA 31 6.900 11.545 -9.566 192 H ALA 32 HN ALA 32 5.876 14.727 -7.261 193 HA ALA 32 HA ALA 32 8.299 15.872 -6.592 194 HB1 ALA 32 HB1 ALA 32 6.472 17.348 -5.143 195 HB2 ALA 32 HB2 ALA 32 5.498 16.618 -6.419 196 HB3 ALA 32 HB3 ALA 32 6.906 17.595 -6.834 197 H THR 33 HN THR 33 6.349 13.781 -4.687 198 HA THR 33 HA THR 33 7.974 14.416 -2.313 199 HB THR 33 HB THR 33 5.507 14.898 -2.112 200 HG1 THR 33 HG1 THR 33 6.627 14.511 -0.236 201 HG21 THR 33 HG21 THR 33 3.889 13.263 -2.089 202 HG22 THR 33 HG22 THR 33 5.056 11.958 -1.870 203 HG23 THR 33 HG23 THR 33 4.903 12.751 -3.438 204 H CYS 34 HN CYS 34 7.030 12.060 -4.611 205 HA CYS 34 HA CYS 34 7.523 9.874 -4.900 206 HB2 CYS 34 HB2 CYS 34 9.801 11.000 -3.440 207 HB3 CYS 34 HB1 CYS 34 9.616 9.268 -3.186 208 H LYS 35 HN LYS 35 5.481 10.487 -3.144 209 HA LYS 35 HA LYS 35 5.230 8.053 -1.701 210 HB2 LYS 35 HB2 LYS 35 6.235 8.656 0.211 211 HB3 LYS 35 HB1 LYS 35 6.363 10.330 -0.301 212 HG2 LYS 35 HG2 LYS 35 4.031 10.692 0.453 213 HG3 LYS 35 HG1 LYS 35 4.009 9.035 1.061 214 HD2 LYS 35 HD2 LYS 35 5.563 9.496 2.730 215 HD3 LYS 35 HD1 LYS 35 6.153 10.945 1.913 216 HE2 LYS 35 HE2 LYS 35 3.324 10.805 2.871 217 HE3 LYS 35 HE1 LYS 35 4.623 11.172 4.005 218 HZ1 LYS 35 HZ1 LYS 35 4.263 12.674 1.479 219 HZ2 LYS 35 HZ2 LYS 35 5.177 13.110 2.834 220 HZ3 LYS 35 HZ3 LYS 35 3.488 13.125 2.914 221 H LEU 36 HN LEU 36 3.169 8.021 -0.391 222 HA LEU 36 HA LEU 36 0.975 8.586 -1.895 223 HB2 LEU 36 HB2 LEU 36 1.266 8.383 1.091 224 HB3 LEU 36 HB1 LEU 36 -0.298 8.581 0.326 225 HG LEU 36 HG LEU 36 1.356 6.358 -0.707 226 HD11 LEU 36 HD11 LEU 36 0.163 6.320 2.059 227 HD12 LEU 36 HD12 LEU 36 1.864 6.130 1.633 228 HD13 LEU 36 HD13 LEU 36 0.696 4.892 1.171 229 HD21 LEU 36 HD21 LEU 36 -0.967 6.905 -1.441 230 HD22 LEU 36 HD22 LEU 36 -1.520 6.472 0.176 231 HD23 LEU 36 HD23 LEU 36 -0.757 5.258 -0.848 232 H THR 37 HN THR 37 -0.316 10.278 -2.323 233 HA THR 37 HA THR 37 0.533 12.903 -1.441 234 HB THR 37 HB THR 37 -0.761 13.768 -3.172 235 HG1 THR 37 HG1 THR 37 -2.769 13.113 -2.941 236 HG21 THR 37 HG21 THR 37 0.909 11.867 -3.913 237 HG22 THR 37 HG22 THR 37 -0.136 12.696 -5.066 238 HG23 THR 37 HG23 THR 37 -0.587 11.105 -4.451 239 HA PRO 38 HA PRO 38 -2.500 13.884 1.602 240 HB2 PRO 38 HB2 PRO 38 -3.859 15.843 -0.167 241 HB3 PRO 38 HB1 PRO 38 -3.136 16.079 1.428 242 HG2 PRO 38 HG2 PRO 38 -1.931 16.995 -0.769 243 HG3 PRO 38 HG1 PRO 38 -0.994 16.306 0.571 244 HD2 PRO 38 HD2 PRO 38 -1.722 15.086 -2.061 245 HD3 PRO 38 HD1 PRO 38 -0.208 14.962 -1.140 246 H GLY 39 HN GLY 39 -3.996 12.376 2.026 247 HA2 GLY 39 HA2 GLY 39 -6.356 11.848 1.966 248 HA3 GLY 39 HA1 GLY 39 -6.347 12.238 0.252 249 H SER 40 HN SER 40 -3.775 10.772 -0.110 250 HA SER 40 HA SER 40 -4.961 8.157 -0.509 251 HB2 SER 40 HB2 SER 40 -2.794 7.671 -1.686 252 HB3 SER 40 HB1 SER 40 -3.689 9.036 -2.353 253 HG SER 40 HG SER 40 -2.195 10.386 -1.642 254 H GLN 41 HN GLN 41 -4.851 6.634 0.994 255 HA GLN 41 HA GLN 41 -2.550 6.647 2.830 256 HB2 GLN 41 HB2 GLN 41 -5.435 6.243 3.249 257 HB3 GLN 41 HB1 GLN 41 -4.400 5.103 4.098 258 HG2 GLN 41 HG2 GLN 41 -3.163 7.458 4.644 259 HG3 GLN 41 HG1 GLN 41 -4.853 7.955 4.569 260 HE21 GLN 41 HE21 GLN 41 -6.374 6.771 5.913 261 HE22 GLN 41 HE22 GLN 41 -5.840 6.135 7.427 262 H CYS 42 HN CYS 42 -3.109 5.196 0.119 263 HA CYS 42 HA CYS 42 -1.789 2.776 0.902 264 HB2 CYS 42 HB2 CYS 42 -3.436 1.182 0.243 265 HB3 CYS 42 HB1 CYS 42 -4.160 2.259 1.425 266 H ASN 43 HN ASN 43 -3.733 4.067 -1.786 267 HA ASN 43 HA ASN 43 -3.304 4.340 -3.985 268 HB2 ASN 43 HB2 ASN 43 -1.287 5.204 -4.533 269 HB3 ASN 43 HB1 ASN 43 -1.043 5.187 -2.793 270 HD21 ASN 43 HD21 ASN 43 -0.517 3.300 -5.728 271 HD22 ASN 43 HD22 ASN 43 0.931 2.527 -5.188 272 H TYR 44 HN TYR 44 -2.061 1.559 -2.361 273 HA TYR 44 HA TYR 44 -3.029 -0.276 -4.191 274 HB2 TYR 44 HB2 TYR 44 -1.351 -0.809 -5.643 275 HB3 TYR 44 HB1 TYR 44 -0.905 0.871 -5.379 276 HD1 TYR 44 HD1 TYR 44 0.872 1.359 -3.597 277 HD2 TYR 44 HD2 TYR 44 0.158 -2.530 -5.165 278 HE1 TYR 44 HE1 TYR 44 3.097 0.648 -2.829 279 HE2 TYR 44 HE2 TYR 44 2.380 -3.253 -4.399 280 HH TYR 44 HH TYR 44 4.181 -1.634 -2.188 281 H GLY 45 HN GLY 45 -2.414 -2.510 -3.652 282 HA2 GLY 45 HA2 GLY 45 -1.020 -3.923 -2.173 283 HA3 GLY 45 HA1 GLY 45 -1.221 -2.678 -0.951 284 H GLU 46 HN GLU 46 -1.802 -5.212 -0.267 285 HA GLU 46 HA GLU 46 -4.411 -6.116 -0.719 286 HB2 GLU 46 HB2 GLU 46 -2.358 -6.558 1.403 287 HB3 GLU 46 HB1 GLU 46 -3.995 -7.136 1.686 288 HG2 GLU 46 HG2 GLU 46 -2.497 -8.854 0.750 289 HG3 GLU 46 HG1 GLU 46 -3.905 -8.530 -0.261 290 H CYS 47 HN CYS 47 -3.093 -4.062 1.840 291 HA CYS 47 HA CYS 47 -5.590 -3.722 3.184 292 HB2 CYS 47 HB2 CYS 47 -2.833 -2.686 3.437 293 HB3 CYS 47 HB1 CYS 47 -4.103 -1.658 4.087 294 H CYS 48 HN CYS 48 -4.192 -2.276 0.402 295 HA CYS 48 HA CYS 48 -5.327 0.291 0.599 296 HB2 CYS 48 HB2 CYS 48 -3.482 -0.342 -0.959 297 HB3 CYS 48 HB1 CYS 48 -4.657 -1.231 -1.924 298 H ASP 49 HN ASP 49 -7.241 1.102 0.063 299 HA ASP 49 HA ASP 49 -9.125 -0.280 -1.605 300 HB2 ASP 49 HB2 ASP 49 -9.233 -1.080 0.974 301 HB3 ASP 49 HB1 ASP 49 -10.287 0.329 1.055 302 H GLN 50 HN GLN 50 -9.514 1.437 -2.879 303 HA GLN 50 HA GLN 50 -10.272 3.471 -3.567 304 HB2 GLN 50 HB2 GLN 50 -11.358 3.886 -0.784 305 HB3 GLN 50 HB1 GLN 50 -11.942 4.584 -2.288 306 HG2 GLN 50 HG2 GLN 50 -11.989 1.626 -1.843 307 HG3 GLN 50 HG1 GLN 50 -13.267 2.666 -1.214 308 HE21 GLN 50 HE21 GLN 50 -14.080 4.279 -2.936 309 HE22 GLN 50 HE22 GLN 50 -14.431 3.592 -4.481 310 H CYS 51 HN CYS 51 -7.646 3.285 -2.687 311 HA CYS 51 HA CYS 51 -5.847 4.579 -2.202 312 HB2 CYS 51 HB2 CYS 51 -7.959 6.611 -2.734 313 HB3 CYS 51 HB1 CYS 51 -6.465 7.156 -1.980 314 H ARG 52 HN ARG 52 -7.683 3.506 -0.083 315 HA ARG 52 HA ARG 52 -6.471 4.962 2.138 316 HB2 ARG 52 HB2 ARG 52 -9.391 4.723 1.614 317 HB3 ARG 52 HB1 ARG 52 -8.852 4.541 3.277 318 HG2 ARG 52 HG2 ARG 52 -7.838 6.868 1.744 319 HG3 ARG 52 HG1 ARG 52 -9.524 6.886 2.264 320 HD2 ARG 52 HD2 ARG 52 -8.929 6.720 4.539 321 HD3 ARG 52 HD1 ARG 52 -7.269 6.270 4.152 322 HE ARG 52 HE ARG 52 -6.754 8.490 3.914 323 HH11 ARG 52 HH11 ARG 52 -10.224 8.126 3.953 324 HH12 ARG 52 HH12 ARG 52 -10.527 9.829 4.041 325 HH21 ARG 52 HH21 ARG 52 -7.150 10.730 4.030 326 HH22 ARG 52 HH22 ARG 52 -8.782 11.307 4.085 327 H PHE 53 HN PHE 53 -5.723 3.609 3.687 328 HA PHE 53 HA PHE 53 -5.617 0.856 3.271 329 HB2 PHE 53 HB2 PHE 53 -5.121 2.526 5.728 330 HB3 PHE 53 HB1 PHE 53 -4.944 0.774 5.753 331 HD1 PHE 53 HD2 PHE 53 -3.872 0.601 2.862 332 HD2 PHE 53 HD1 PHE 53 -2.837 3.007 6.216 333 HE1 PHE 53 HE2 PHE 53 -1.597 0.822 1.991 334 HE2 PHE 53 HE1 PHE 53 -0.547 3.234 5.346 335 HZ PHE 53 HZ PHE 53 0.079 2.141 3.229 336 H LYS 54 HN LYS 54 -6.623 -0.897 4.197 337 HA LYS 54 HA LYS 54 -9.400 -0.545 4.770 338 HB2 LYS 54 HB2 LYS 54 -7.530 -2.835 4.518 339 HB3 LYS 54 HB1 LYS 54 -8.971 -3.104 5.488 340 HG2 LYS 54 HG2 LYS 54 -10.366 -2.989 3.704 341 HG3 LYS 54 HG1 LYS 54 -9.344 -1.840 2.839 342 HD2 LYS 54 HD2 LYS 54 -7.786 -4.117 2.971 343 HD3 LYS 54 HD1 LYS 54 -9.413 -4.747 2.707 344 HE2 LYS 54 HE2 LYS 54 -9.600 -3.034 0.835 345 HE3 LYS 54 HE1 LYS 54 -7.859 -2.819 1.004 346 HZ1 LYS 54 HZ1 LYS 54 -7.894 -5.416 0.789 347 HZ2 LYS 54 HZ2 LYS 54 -7.929 -4.431 -0.585 348 HZ3 LYS 54 HZ3 LYS 54 -9.359 -5.123 -0.006 349 H LYS 55 HN LYS 55 -10.118 0.225 6.648 350 HA LYS 55 HA LYS 55 -8.870 0.726 8.962 351 HB2 LYS 55 HB2 LYS 55 -11.236 1.268 8.520 352 HB3 LYS 55 HB1 LYS 55 -11.664 -0.416 8.788 353 HG2 LYS 55 HG2 LYS 55 -10.914 -0.251 11.100 354 HG3 LYS 55 HG1 LYS 55 -10.456 1.432 10.836 355 HD2 LYS 55 HD2 LYS 55 -12.728 2.069 10.470 356 HD3 LYS 55 HD1 LYS 55 -13.253 0.384 10.439 357 HE2 LYS 55 HE2 LYS 55 -13.236 0.197 12.693 358 HE3 LYS 55 HE1 LYS 55 -11.839 1.257 12.876 359 HZ1 LYS 55 HZ1 LYS 55 -13.657 3.003 12.055 360 HZ2 LYS 55 HZ2 LYS 55 -13.398 2.643 13.687 361 HZ3 LYS 55 HZ3 LYS 55 -14.671 1.908 12.852 362 H ALA 56 HN ALA 56 -7.839 -0.351 10.512 363 HA ALA 56 HA ALA 56 -7.080 -2.922 10.484 364 HB1 ALA 56 HB1 ALA 56 -7.526 -1.053 12.750 365 HB2 ALA 56 HB2 ALA 56 -6.030 -1.774 12.154 366 HB3 ALA 56 HB3 ALA 56 -7.159 -2.742 13.105 367 H GLY 57 HN GLY 57 -7.921 -4.871 10.778 368 HA2 GLY 57 HA2 GLY 57 -9.458 -6.297 12.087 369 HA3 GLY 57 HA1 GLY 57 -10.651 -5.013 11.927 370 H THR 58 HN THR 58 -9.398 -4.748 9.066 371 HA THR 58 HA THR 58 -11.395 -6.377 7.788 372 HB THR 58 HB THR 58 -9.177 -4.689 6.598 373 HG1 THR 58 HG1 THR 58 -10.724 -3.491 7.792 374 HG21 THR 58 HG21 THR 58 -11.527 -4.998 4.974 375 HG22 THR 58 HG22 THR 58 -10.774 -6.558 5.318 376 HG23 THR 58 HG23 THR 58 -9.829 -5.263 4.573 377 H VAL 59 HN VAL 59 -11.104 -8.472 7.330 378 HA VAL 59 HA VAL 59 -8.508 -9.656 7.509 379 HB VAL 59 HB VAL 59 -10.462 -10.908 8.268 380 HG11 VAL 59 HG11 VAL 59 -12.316 -11.297 7.055 381 HG12 VAL 59 HG12 VAL 59 -11.412 -11.559 5.564 382 HG13 VAL 59 HG13 VAL 59 -11.754 -9.918 6.111 383 HG21 VAL 59 HG21 VAL 59 -10.018 -13.041 7.098 384 HG22 VAL 59 HG22 VAL 59 -8.546 -12.198 7.583 385 HG23 VAL 59 HG23 VAL 59 -9.074 -12.154 5.901 386 H CYS 60 HN CYS 60 -7.050 -9.735 5.947 387 HA CYS 60 HA CYS 60 -7.934 -9.472 3.156 388 HB2 CYS 60 HB2 CYS 60 -5.126 -9.247 4.241 389 HB3 CYS 60 HB1 CYS 60 -5.672 -8.813 2.627 390 H ARG 61 HN ARG 61 -6.419 -11.648 5.383 391 HA ARG 61 HA ARG 61 -6.406 -13.735 3.342 392 HB2 ARG 61 HB2 ARG 61 -4.038 -12.463 4.101 393 HB3 ARG 61 HB1 ARG 61 -4.038 -13.964 5.017 394 HG2 ARG 61 HG2 ARG 61 -4.708 -14.946 2.636 395 HG3 ARG 61 HG1 ARG 61 -3.833 -13.515 2.100 396 HD2 ARG 61 HD2 ARG 61 -2.849 -15.924 3.553 397 HD3 ARG 61 HD1 ARG 61 -2.135 -15.066 2.192 398 HE ARG 61 HE ARG 61 -1.479 -14.707 4.888 399 HH11 ARG 61 HH11 ARG 61 -2.120 -12.799 2.030 400 HH12 ARG 61 HH12 ARG 61 -1.188 -11.448 2.576 401 HH21 ARG 61 HH21 ARG 61 -0.256 -12.931 5.599 402 HH22 ARG 61 HH22 ARG 61 -0.125 -11.524 4.598 403 H ILE 62 HN ILE 62 -6.137 -15.914 4.295 404 HA ILE 62 HA ILE 62 -6.511 -16.221 7.130 405 HB ILE 62 HB ILE 62 -8.721 -17.046 5.249 406 HG12 ILE 62 HG12 ILE 62 -8.729 -14.635 5.950 407 HG13 ILE 62 HG11 ILE 62 -10.145 -15.537 6.467 408 HG21 ILE 62 HG21 ILE 62 -9.453 -17.421 7.951 409 HG22 ILE 62 HG22 ILE 62 -7.883 -18.188 7.714 410 HG23 ILE 62 HG23 ILE 62 -9.247 -18.640 6.692 411 HD11 ILE 62 HD11 ILE 62 -8.267 -15.770 8.536 412 HD12 ILE 62 HD12 ILE 62 -9.776 -14.858 8.531 413 HD13 ILE 62 HD13 ILE 62 -8.273 -14.077 8.044 414 H ALA 63 HN ALA 63 -5.627 -18.052 7.740 415 HA ALA 63 HA ALA 63 -4.331 -19.755 5.899 416 HB1 ALA 63 HB1 ALA 63 -4.597 -21.049 8.428 417 HB2 ALA 63 HB2 ALA 63 -4.255 -19.336 8.680 418 HB3 ALA 63 HB3 ALA 63 -3.168 -20.317 7.698 419 H ARG 64 HN ARG 64 -6.672 -20.821 8.350 420 HA ARG 64 HA ARG 64 -8.676 -21.783 6.756 421 HB2 ARG 64 HB2 ARG 64 -6.371 -23.283 6.219 422 HB3 ARG 64 HB1 ARG 64 -7.356 -24.316 7.242 423 HG2 ARG 64 HG2 ARG 64 -7.816 -24.718 4.895 424 HG3 ARG 64 HG1 ARG 64 -9.236 -24.064 5.713 425 HD2 ARG 64 HD2 ARG 64 -8.548 -21.796 4.863 426 HD3 ARG 64 HD1 ARG 64 -7.331 -22.614 3.884 427 HE ARG 64 HE ARG 64 -10.132 -22.449 3.357 428 HH11 ARG 64 HH11 ARG 64 -7.305 -24.450 2.925 429 HH12 ARG 64 HH12 ARG 64 -7.922 -25.234 1.510 430 HH21 ARG 64 HH21 ARG 64 -10.946 -23.480 1.496 431 HH22 ARG 64 HH22 ARG 64 -9.989 -24.684 0.698 432 H GLY 65 HN GLY 65 -9.412 -20.910 8.863 433 HA2 GLY 65 HA2 GLY 65 -10.782 -22.553 10.418 434 HA3 GLY 65 HA1 GLY 65 -9.179 -22.765 11.105 435 H ASP 66 HN ASP 66 -8.709 -21.529 12.766 436 HA ASP 66 HA ASP 66 -9.335 -18.758 12.895 437 HB2 ASP 66 HB2 ASP 66 -11.086 -20.703 14.325 438 HB3 ASP 66 HB1 ASP 66 -10.654 -19.216 15.164 439 H TRP 67 HN TRP 67 -7.052 -18.848 13.174 440 HA TRP 67 HA TRP 67 -6.217 -19.604 15.899 441 HB2 TRP 67 HB2 TRP 67 -3.912 -19.442 14.301 442 HB3 TRP 67 HB1 TRP 67 -4.663 -20.904 14.931 443 HD1 TRP 67 HD1 TRP 67 -5.010 -18.628 11.792 444 HE1 TRP 67 HE1 TRP 67 -5.602 -20.128 9.806 445 HE3 TRP 67 HE3 TRP 67 -5.304 -23.106 14.225 446 HZ2 TRP 67 HZ2 TRP 67 -6.101 -22.862 9.313 447 HZ3 TRP 67 HZ3 TRP 67 -5.839 -25.126 12.921 448 HH2 TRP 67 HH2 TRP 67 -6.231 -25.003 10.513 449 H ASN 68 HN ASN 68 -4.893 -17.676 13.254 450 HA ASN 68 HA ASN 68 -4.558 -15.424 15.123 451 HB2 ASN 68 HB2 ASN 68 -2.880 -15.657 12.668 452 HB3 ASN 68 HB1 ASN 68 -2.505 -14.900 14.212 453 HD21 ASN 68 HD21 ASN 68 -2.880 -17.986 12.574 454 HD22 ASN 68 HD22 ASN 68 -1.838 -18.881 13.621 455 H ASP 69 HN ASP 69 -5.003 -16.299 11.718 456 HA ASP 69 HA ASP 69 -6.323 -15.376 10.094 457 HB2 ASP 69 HB2 ASP 69 -7.185 -13.288 12.080 458 HB3 ASP 69 HB1 ASP 69 -8.022 -13.799 10.619 459 H ASP 70 HN ASP 70 -6.412 -13.454 8.729 460 HA ASP 70 HA ASP 70 -4.054 -11.758 9.156 461 HB2 ASP 70 HB2 ASP 70 -4.055 -13.276 7.131 462 HB3 ASP 70 HB1 ASP 70 -5.390 -12.317 6.517 463 H TYR 71 HN TYR 71 -4.449 -9.741 9.679 464 HA TYR 71 HA TYR 71 -6.888 -8.494 8.627 465 HB2 TYR 71 HB2 TYR 71 -5.973 -8.652 11.478 466 HB3 TYR 71 HB1 TYR 71 -7.059 -7.379 10.923 467 HD1 TYR 71 HD2 TYR 71 -9.165 -8.105 9.718 468 HD2 TYR 71 HD1 TYR 71 -6.840 -10.726 12.106 469 HE1 TYR 71 HE2 TYR 71 -11.104 -9.570 9.947 470 HE2 TYR 71 HE1 TYR 71 -8.759 -12.232 12.349 471 HH TYR 71 HH TYR 71 -11.592 -11.655 12.126 472 H CYS 72 HN CYS 72 -6.838 -6.380 8.202 473 HA CYS 72 HA CYS 72 -4.325 -5.161 7.714 474 HB2 CYS 72 HB2 CYS 72 -6.539 -4.785 6.483 475 HB3 CYS 72 HB1 CYS 72 -6.975 -3.729 7.823 476 H THR 73 HN THR 73 -3.691 -3.020 8.587 477 HA THR 73 HA THR 73 -4.399 -2.789 11.438 478 HB THR 73 HB THR 73 -2.145 -2.168 11.933 479 HG1 THR 73 HG1 THR 73 -0.596 -2.031 10.223 480 HG21 THR 73 HG21 THR 73 -2.746 -4.672 10.946 481 HG22 THR 73 HG22 THR 73 -1.305 -4.218 11.856 482 HG23 THR 73 HG23 THR 73 -1.270 -4.220 10.093 483 H GLY 74 HN GLY 74 -4.922 -1.318 8.600 484 HA2 GLY 74 HA2 GLY 74 -5.511 0.803 7.969 485 HA3 GLY 74 HA1 GLY 74 -5.821 1.087 9.674 486 H LYS 75 HN LYS 75 -2.613 0.179 8.775 487 HA LYS 75 HA LYS 75 -1.758 2.981 8.739 488 HB2 LYS 75 HB2 LYS 75 -0.132 2.694 10.432 489 HB3 LYS 75 HB1 LYS 75 -1.618 2.009 11.072 490 HG2 LYS 75 HG2 LYS 75 -0.263 -0.089 9.777 491 HG3 LYS 75 HG1 LYS 75 0.939 0.783 10.730 492 HD2 LYS 75 HD2 LYS 75 -1.712 -0.136 11.828 493 HD3 LYS 75 HD1 LYS 75 -0.231 -1.088 11.934 494 HE2 LYS 75 HE2 LYS 75 -0.040 -0.019 13.918 495 HE3 LYS 75 HE1 LYS 75 0.672 1.238 12.907 496 HZ1 LYS 75 HZ1 LYS 75 -1.140 2.564 13.115 497 HZ2 LYS 75 HZ2 LYS 75 -1.271 1.744 14.589 498 HZ3 LYS 75 HZ3 LYS 75 -2.227 1.276 13.274 499 H SER 76 HN SER 76 -1.804 0.297 7.022 500 HA SER 76 HA SER 76 0.451 1.002 5.449 501 HB2 SER 76 HB2 SER 76 0.685 -1.357 7.294 502 HB3 SER 76 HB1 SER 76 1.530 -1.348 5.746 503 HG SER 76 HG SER 76 2.747 0.332 6.400 504 H SER 77 HN SER 77 0.740 -0.467 3.585 505 HA SER 77 HA SER 77 -1.847 -1.395 2.656 506 HB2 SER 77 HB2 SER 77 0.111 -1.946 0.701 507 HB3 SER 77 HB1 SER 77 -1.030 -0.603 0.725 508 HG SER 77 HG SER 77 1.409 -0.224 0.676 509 H ASP 78 HN ASP 78 0.135 -2.834 4.639 510 HA ASP 78 HA ASP 78 0.077 -5.440 3.274 511 HB2 ASP 78 HB2 ASP 78 1.993 -4.193 5.176 512 HB3 ASP 78 HB1 ASP 78 1.718 -5.924 5.338 513 H CYS 79 HN CYS 79 -0.955 -7.128 4.190 514 HA CYS 79 HA CYS 79 -2.423 -6.600 6.694 515 HB2 CYS 79 HB2 CYS 79 -3.297 -7.482 4.120 516 HB3 CYS 79 HB1 CYS 79 -3.557 -8.791 5.268 517 HA PRO 80 HA PRO 80 0.425 -9.932 7.973 518 HB2 PRO 80 HB2 PRO 80 0.097 -9.538 10.637 519 HB3 PRO 80 HB1 PRO 80 1.181 -8.552 9.649 520 HG2 PRO 80 HG2 PRO 80 -1.605 -7.955 10.572 521 HG3 PRO 80 HG1 PRO 80 -0.183 -6.895 10.552 522 HD2 PRO 80 HD2 PRO 80 -2.101 -6.773 8.653 523 HD3 PRO 80 HD1 PRO 80 -0.393 -6.447 8.297 524 H TRP 81 HN TRP 81 -0.167 -11.992 8.096 525 HA TRP 81 HA TRP 81 -2.865 -12.659 8.945 526 HB2 TRP 81 HB2 TRP 81 -2.516 -14.817 7.893 527 HB3 TRP 81 HB1 TRP 81 -2.146 -13.506 6.784 528 HD1 TRP 81 HD1 TRP 81 0.900 -13.232 8.343 529 HE1 TRP 81 HE1 TRP 81 2.689 -14.849 7.462 530 HE3 TRP 81 HE3 TRP 81 -2.151 -16.650 6.126 531 HZ2 TRP 81 HZ2 TRP 81 2.780 -17.268 6.007 532 HZ3 TRP 81 HZ3 TRP 81 -1.142 -18.601 5.008 533 HH2 TRP 81 HH2 TRP 81 1.281 -18.903 4.955 534 H ASN 82 HN ASN 82 0.272 -12.812 10.160 535 HA ASN 82 HA ASN 82 1.180 -13.677 12.062 536 HB2 ASN 82 HB2 ASN 82 -1.754 -13.787 12.751 537 HB3 ASN 82 HB1 ASN 82 -0.503 -14.273 13.890 538 HD21 ASN 82 HD21 ASN 82 -2.202 -12.260 14.532 539 HD22 ASN 82 HD22 ASN 82 -1.364 -10.750 14.534 540 H HIS 83 HN HIS 83 2.194 -15.516 11.406 541 HA HIS 83 HA HIS 83 0.984 -18.015 12.141 542 HB2 HIS 83 HB2 HIS 83 1.372 -17.280 9.259 543 HB3 HIS 83 HB1 HIS 83 1.530 -18.958 9.770 544 HD1 HIS 83 HD1 HIS 83 -0.635 -20.059 10.829 545 HD2 HIS 83 HD2 HIS 83 -1.213 -16.360 9.031 546 HE1 HIS 83 HE1 HIS 83 -3.118 -19.836 10.531 547 HE2 HIS 83 HE2 HIS 83 -3.452 -17.556 9.517 Start of MODEL 30 1 H1 SER 1 HT1 SER 1 11.622 -1.988 -10.916 2 H2 SER 1 HT2 SER 1 10.716 -3.335 -11.470 3 H3 SER 1 HT3 SER 1 12.012 -2.726 -12.414 4 HA SER 1 HA SER 1 12.003 -4.509 -10.177 5 HB2 SER 1 HB2 SER 1 13.454 -3.992 -12.705 6 HB3 SER 1 HB1 SER 1 14.413 -4.716 -11.414 7 HG SER 1 HG SER 1 11.887 -5.731 -12.182 8 HA PRO 2 HA PRO 2 15.807 -1.937 -8.837 9 HB2 PRO 2 HB2 PRO 2 16.516 0.271 -10.202 10 HB3 PRO 2 HB1 PRO 2 17.017 -1.346 -10.713 11 HG2 PRO 2 HG2 PRO 2 14.795 0.367 -11.755 12 HG3 PRO 2 HG1 PRO 2 15.964 -0.619 -12.653 13 HD2 PRO 2 HD2 PRO 2 13.407 -1.419 -12.112 14 HD3 PRO 2 HD1 PRO 2 14.759 -2.545 -12.345 15 HA PRO 3 HA PRO 3 13.574 1.292 -6.752 16 HB2 PRO 3 HB2 PRO 3 15.453 2.038 -4.974 17 HB3 PRO 3 HB1 PRO 3 14.677 0.454 -4.912 18 HG2 PRO 3 HG2 PRO 3 17.417 1.168 -5.701 19 HG3 PRO 3 HG1 PRO 3 16.773 -0.388 -5.159 20 HD2 PRO 3 HD2 PRO 3 17.291 0.501 -7.851 21 HD3 PRO 3 HD1 PRO 3 16.714 -1.085 -7.308 22 H VAL 4 HN VAL 4 13.303 2.879 -8.404 23 HA VAL 4 HA VAL 4 15.303 5.045 -8.310 24 HB VAL 4 HB VAL 4 14.163 5.618 -10.621 25 HG11 VAL 4 HG11 VAL 4 16.286 3.534 -10.162 26 HG12 VAL 4 HG12 VAL 4 16.509 5.264 -10.421 27 HG13 VAL 4 HG13 VAL 4 15.936 4.242 -11.739 28 HG21 VAL 4 HG21 VAL 4 12.576 3.652 -10.330 29 HG22 VAL 4 HG22 VAL 4 13.965 2.616 -10.661 30 HG23 VAL 4 HG23 VAL 4 13.413 3.766 -11.879 31 H CYS 5 HN CYS 5 14.519 6.635 -7.080 32 HA CYS 5 HA CYS 5 11.671 7.132 -6.892 33 HB2 CYS 5 HB2 CYS 5 12.776 7.450 -4.834 34 HB3 CYS 5 HB1 CYS 5 14.120 8.302 -5.578 35 H GLY 6 HN GLY 6 10.820 8.006 -8.652 36 HA2 GLY 6 HA2 GLY 6 10.341 10.138 -9.742 37 HA3 GLY 6 HA1 GLY 6 12.078 10.442 -9.750 38 H ASN 7 HN ASN 7 10.701 7.336 -10.402 39 HA ASN 7 HA ASN 7 11.290 7.590 -13.270 40 HB2 ASN 7 HB2 ASN 7 12.320 5.655 -11.256 41 HB3 ASN 7 HB1 ASN 7 11.863 4.991 -12.824 42 HD21 ASN 7 HD21 ASN 7 13.618 4.696 -13.985 43 HD22 ASN 7 HD22 ASN 7 14.926 5.811 -14.158 44 H LYS 8 HN LYS 8 8.951 7.322 -11.131 45 HA LYS 8 HA LYS 8 6.777 6.713 -11.298 46 HB2 LYS 8 HB2 LYS 8 7.390 6.786 -13.889 47 HB3 LYS 8 HB1 LYS 8 7.194 5.045 -13.735 48 HG2 LYS 8 HG2 LYS 8 4.934 5.267 -13.066 49 HG3 LYS 8 HG1 LYS 8 5.101 7.011 -12.850 50 HD2 LYS 8 HD2 LYS 8 5.510 5.668 -15.510 51 HD3 LYS 8 HD1 LYS 8 3.926 6.224 -14.965 52 HE2 LYS 8 HE2 LYS 8 4.529 8.450 -15.053 53 HE3 LYS 8 HE1 LYS 8 6.249 8.097 -14.889 54 HZ1 LYS 8 HZ1 LYS 8 6.482 7.761 -17.093 55 HZ2 LYS 8 HZ2 LYS 8 5.123 8.765 -17.188 56 HZ3 LYS 8 HZ3 LYS 8 4.942 7.086 -17.285 57 H ILE 9 HN ILE 9 9.182 5.043 -10.351 58 HA ILE 9 HA ILE 9 7.788 2.461 -10.187 59 HB ILE 9 HB ILE 9 10.433 3.004 -10.916 60 HG12 ILE 9 HG12 ILE 9 9.441 0.343 -9.920 61 HG13 ILE 9 HG11 ILE 9 8.884 1.045 -11.437 62 HG21 ILE 9 HG21 ILE 9 11.806 1.884 -9.256 63 HG22 ILE 9 HG22 ILE 9 10.409 1.730 -8.193 64 HG23 ILE 9 HG23 ILE 9 11.049 3.327 -8.582 65 HD11 ILE 9 HD11 ILE 9 11.219 1.098 -12.224 66 HD12 ILE 9 HD12 ILE 9 10.646 -0.531 -11.864 67 HD13 ILE 9 HD13 ILE 9 11.711 0.301 -10.730 68 H LEU 10 HN LEU 10 7.008 1.855 -8.280 69 HA LEU 10 HA LEU 10 7.600 3.480 -5.937 70 HB2 LEU 10 HB2 LEU 10 5.909 1.712 -4.925 71 HB3 LEU 10 HB1 LEU 10 5.350 3.087 -5.856 72 HG LEU 10 HG LEU 10 5.882 0.567 -7.341 73 HD11 LEU 10 HD11 LEU 10 4.655 -0.025 -5.198 74 HD12 LEU 10 HD12 LEU 10 3.878 -0.482 -6.713 75 HD13 LEU 10 HD13 LEU 10 3.316 0.936 -5.827 76 HD21 LEU 10 HD21 LEU 10 4.176 2.984 -7.552 77 HD22 LEU 10 HD22 LEU 10 3.558 1.484 -8.245 78 HD23 LEU 10 HD23 LEU 10 5.102 2.136 -8.791 79 H GLU 11 HN GLU 11 9.854 2.431 -6.520 80 HA GLU 11 HA GLU 11 10.152 0.056 -4.805 81 HB2 GLU 11 HB2 GLU 11 10.574 -0.456 -7.176 82 HB3 GLU 11 HB1 GLU 11 11.812 0.791 -7.219 83 HG2 GLU 11 HG2 GLU 11 13.305 -0.711 -6.599 84 HG3 GLU 11 HG1 GLU 11 12.456 -0.890 -5.064 85 H GLN 12 HN GLN 12 11.810 2.971 -6.039 86 HA GLN 12 HA GLN 12 13.930 2.852 -4.147 87 HB2 GLN 12 HB2 GLN 12 13.523 4.313 -6.345 88 HB3 GLN 12 HB1 GLN 12 13.052 5.503 -5.149 89 HG2 GLN 12 HG2 GLN 12 15.614 4.053 -4.765 90 HG3 GLN 12 HG1 GLN 12 15.531 5.310 -5.998 91 HE21 GLN 12 HE21 GLN 12 14.877 4.680 -2.585 92 HE22 GLN 12 HE22 GLN 12 15.222 6.282 -2.039 93 H GLY 13 HN GLY 13 12.147 2.290 -2.394 94 HA2 GLY 13 HA2 GLY 13 10.956 2.906 -0.520 95 HA3 GLY 13 HA1 GLY 13 12.300 4.016 -0.318 96 H GLU 14 HN GLU 14 9.826 4.132 -2.855 97 HA GLU 14 HA GLU 14 9.161 6.833 -1.948 98 HB2 GLU 14 HB2 GLU 14 8.084 5.600 -4.461 99 HB3 GLU 14 HB1 GLU 14 8.376 7.294 -4.100 100 HG2 GLU 14 HG2 GLU 14 10.101 6.907 -5.510 101 HG3 GLU 14 HG1 GLU 14 10.879 6.476 -3.989 102 H ASP 15 HN ASP 15 7.380 4.034 -3.237 103 HA ASP 15 HA ASP 15 5.434 3.042 -2.553 104 HB2 ASP 15 HB2 ASP 15 6.303 3.993 -0.197 105 HB3 ASP 15 HB1 ASP 15 4.871 5.001 -0.390 106 H CYS 16 HN CYS 16 5.851 5.784 -4.021 107 HA CYS 16 HA CYS 16 3.479 6.053 -5.282 108 HB2 CYS 16 HB2 CYS 16 3.298 7.177 -2.596 109 HB3 CYS 16 HB1 CYS 16 2.888 8.339 -3.852 110 H ASP 17 HN ASP 17 5.347 6.416 -6.672 111 HA ASP 17 HA ASP 17 6.056 9.271 -6.740 112 HB2 ASP 17 HB2 ASP 17 8.044 8.190 -6.031 113 HB3 ASP 17 HB1 ASP 17 7.831 6.874 -7.180 114 H CYS 18 HN CYS 18 6.660 10.068 -8.853 115 HA CYS 18 HA CYS 18 5.385 8.597 -11.064 116 HB2 CYS 18 HB2 CYS 18 5.300 11.559 -10.472 117 HB3 CYS 18 HB1 CYS 18 4.809 10.857 -12.006 118 H GLY 19 HN GLY 19 6.579 8.413 -12.904 119 HA2 GLY 19 HA2 GLY 19 9.297 8.696 -12.983 120 HA3 GLY 19 HA1 GLY 19 8.289 8.725 -14.422 121 H SER 20 HN SER 20 6.893 11.134 -13.803 122 HA SER 20 HA SER 20 9.003 13.159 -13.715 123 HB2 SER 20 HB2 SER 20 7.968 12.350 -16.120 124 HB3 SER 20 HB1 SER 20 6.923 13.713 -15.721 125 HG SER 20 HG SER 20 8.784 14.994 -15.494 126 HA PRO 21 HA PRO 21 6.029 14.820 -10.796 127 HB2 PRO 21 HB2 PRO 21 7.141 17.382 -10.819 128 HB3 PRO 21 HB1 PRO 21 7.589 16.070 -9.728 129 HG2 PRO 21 HG2 PRO 21 8.915 16.993 -12.230 130 HG3 PRO 21 HG1 PRO 21 9.637 16.370 -10.736 131 HD2 PRO 21 HD2 PRO 21 9.466 14.863 -12.947 132 HD3 PRO 21 HD1 PRO 21 9.262 14.160 -11.328 133 H ALA 22 HN ALA 22 6.786 16.131 -13.936 134 HA ALA 22 HA ALA 22 4.524 17.944 -13.935 135 HB1 ALA 22 HB1 ALA 22 5.315 18.750 -15.966 136 HB2 ALA 22 HB2 ALA 22 6.119 17.233 -16.369 137 HB3 ALA 22 HB3 ALA 22 6.794 18.286 -15.125 138 H ASN 23 HN ASN 23 5.345 14.755 -15.075 139 HA ASN 23 HA ASN 23 2.718 14.526 -16.377 140 HB2 ASN 23 HB2 ASN 23 5.368 13.282 -16.886 141 HB3 ASN 23 HB1 ASN 23 3.953 12.269 -17.150 142 HD21 ASN 23 HD21 ASN 23 4.318 12.193 -19.361 143 HD22 ASN 23 HD22 ASN 23 4.008 13.545 -20.392 144 H CYS 24 HN CYS 24 3.456 14.331 -13.466 145 HA CYS 24 HA CYS 24 3.329 11.692 -12.578 146 HB2 CYS 24 HB2 CYS 24 3.977 13.624 -11.176 147 HB3 CYS 24 HB1 CYS 24 2.303 14.166 -11.184 148 H GLN 25 HN GLN 25 1.789 10.652 -13.866 149 HA GLN 25 HA GLN 25 -0.981 11.461 -13.751 150 HB2 GLN 25 HB2 GLN 25 -1.376 9.434 -15.122 151 HB3 GLN 25 HB1 GLN 25 -0.162 10.504 -15.811 152 HG2 GLN 25 HG2 GLN 25 1.573 9.054 -15.346 153 HG3 GLN 25 HG1 GLN 25 0.673 8.220 -14.080 154 HE21 GLN 25 HE21 GLN 25 1.393 6.287 -15.187 155 HE22 GLN 25 HE22 GLN 25 0.500 5.707 -16.547 156 H ASP 26 HN ASP 26 -0.131 11.054 -11.187 157 HA ASP 26 HA ASP 26 -1.736 8.740 -10.405 158 HB2 ASP 26 HB2 ASP 26 0.941 9.391 -9.152 159 HB3 ASP 26 HB1 ASP 26 -0.126 8.059 -8.717 160 H ARG 27 HN ARG 27 -3.400 10.001 -9.705 161 HA ARG 27 HA ARG 27 -3.154 12.395 -8.268 162 HB2 ARG 27 HB2 ARG 27 -5.185 11.643 -9.479 163 HB3 ARG 27 HB1 ARG 27 -5.460 10.446 -8.220 164 HG2 ARG 27 HG2 ARG 27 -6.783 12.041 -7.358 165 HG3 ARG 27 HG1 ARG 27 -5.266 12.676 -6.721 166 HD2 ARG 27 HD2 ARG 27 -5.068 14.102 -8.735 167 HD3 ARG 27 HD1 ARG 27 -6.645 13.519 -9.267 168 HE ARG 27 HE ARG 27 -7.640 14.913 -7.745 169 HH11 ARG 27 HH11 ARG 27 -4.241 14.658 -6.998 170 HH12 ARG 27 HH12 ARG 27 -4.281 15.913 -5.805 171 HH21 ARG 27 HH21 ARG 27 -7.695 16.563 -6.176 172 HH22 ARG 27 HH22 ARG 27 -6.242 16.994 -5.338 173 H CYS 28 HN CYS 28 -2.876 9.109 -7.243 174 HA CYS 28 HA CYS 28 -3.113 9.918 -4.432 175 HB2 CYS 28 HB2 CYS 28 -3.427 7.317 -5.862 176 HB3 CYS 28 HB1 CYS 28 -2.907 7.292 -4.180 177 H CYS 29 HN CYS 29 -0.758 9.842 -6.645 178 HA CYS 29 HA CYS 29 1.295 9.329 -4.625 179 HB2 CYS 29 HB2 CYS 29 1.375 8.152 -7.410 180 HB3 CYS 29 HB1 CYS 29 2.662 8.054 -6.221 181 H ASN 30 HN ASN 30 2.812 10.889 -4.619 182 HA ASN 30 HA ASN 30 2.921 12.690 -6.950 183 HB2 ASN 30 HB2 ASN 30 2.087 13.819 -4.976 184 HB3 ASN 30 HB1 ASN 30 3.464 13.266 -4.033 185 HD21 ASN 30 HD21 ASN 30 4.565 15.033 -3.549 186 HD22 ASN 30 HD22 ASN 30 5.095 16.230 -4.675 187 H ALA 31 HN ALA 31 4.792 13.066 -7.959 188 HA ALA 31 HA ALA 31 7.061 11.408 -7.387 189 HB1 ALA 31 HB1 ALA 31 7.957 13.147 -9.266 190 HB2 ALA 31 HB2 ALA 31 6.216 13.236 -9.528 191 HB3 ALA 31 HB3 ALA 31 7.043 11.685 -9.621 192 H ALA 32 HN ALA 32 6.309 14.847 -7.130 193 HA ALA 32 HA ALA 32 8.819 15.840 -6.480 194 HB1 ALA 32 HB1 ALA 32 7.564 17.671 -6.609 195 HB2 ALA 32 HB2 ALA 32 7.036 17.339 -4.959 196 HB3 ALA 32 HB3 ALA 32 6.085 16.753 -6.323 197 H THR 33 HN THR 33 6.784 13.782 -4.650 198 HA THR 33 HA THR 33 8.433 14.248 -2.254 199 HB THR 33 HB THR 33 6.000 14.850 -2.024 200 HG1 THR 33 HG1 THR 33 7.066 12.754 -0.451 201 HG21 THR 33 HG21 THR 33 5.293 11.981 -1.820 202 HG22 THR 33 HG22 THR 33 5.365 12.692 -3.432 203 HG23 THR 33 HG23 THR 33 4.289 13.377 -2.215 204 H CYS 34 HN CYS 34 7.229 11.998 -4.577 205 HA CYS 34 HA CYS 34 7.634 9.807 -4.958 206 HB2 CYS 34 HB2 CYS 34 9.987 10.729 -3.478 207 HB3 CYS 34 HB1 CYS 34 9.671 9.013 -3.243 208 H LYS 35 HN LYS 35 5.673 10.587 -3.158 209 HA LYS 35 HA LYS 35 5.312 8.139 -1.672 210 HB2 LYS 35 HB2 LYS 35 5.346 10.759 -0.163 211 HB3 LYS 35 HB1 LYS 35 4.997 9.171 0.505 212 HG2 LYS 35 HG2 LYS 35 7.320 8.491 -0.126 213 HG3 LYS 35 HG1 LYS 35 7.627 10.178 -0.545 214 HD2 LYS 35 HD2 LYS 35 6.546 9.438 2.150 215 HD3 LYS 35 HD1 LYS 35 8.276 9.340 1.813 216 HE2 LYS 35 HE2 LYS 35 6.660 11.820 1.285 217 HE3 LYS 35 HE1 LYS 35 7.429 11.504 2.840 218 HZ1 LYS 35 HZ1 LYS 35 9.516 11.741 1.960 219 HZ2 LYS 35 HZ2 LYS 35 8.664 12.865 1.026 220 HZ3 LYS 35 HZ3 LYS 35 9.037 11.344 0.386 221 H LEU 36 HN LEU 36 3.158 8.282 -0.406 222 HA LEU 36 HA LEU 36 1.102 8.767 -2.214 223 HB2 LEU 36 HB2 LEU 36 1.100 8.439 0.776 224 HB3 LEU 36 HB1 LEU 36 -0.381 8.633 -0.141 225 HG LEU 36 HG LEU 36 1.456 6.497 -1.055 226 HD11 LEU 36 HD11 LEU 36 1.618 6.204 1.341 227 HD12 LEU 36 HD12 LEU 36 0.611 4.934 0.646 228 HD13 LEU 36 HD13 LEU 36 -0.137 6.287 1.495 229 HD21 LEU 36 HD21 LEU 36 -0.829 7.121 -2.004 230 HD22 LEU 36 HD22 LEU 36 -1.501 6.382 -0.550 231 HD23 LEU 36 HD23 LEU 36 -0.532 5.417 -1.664 232 H THR 37 HN THR 37 -0.472 10.350 -2.396 233 HA THR 37 HA THR 37 0.382 13.008 -1.600 234 HB THR 37 HB THR 37 -1.948 13.414 -2.927 235 HG1 THR 37 HG1 THR 37 -2.145 11.093 -3.183 236 HG21 THR 37 HG21 THR 37 0.102 12.805 -4.864 237 HG22 THR 37 HG22 THR 37 0.730 13.748 -3.513 238 HG23 THR 37 HG23 THR 37 -0.640 14.349 -4.446 239 HA PRO 38 HA PRO 38 -2.382 13.802 1.734 240 HB2 PRO 38 HB2 PRO 38 -3.827 16.002 0.875 241 HB3 PRO 38 HB1 PRO 38 -2.216 16.070 1.596 242 HG2 PRO 38 HG2 PRO 38 -3.011 16.144 -1.283 243 HG3 PRO 38 HG1 PRO 38 -1.750 17.065 -0.442 244 HD2 PRO 38 HD2 PRO 38 -1.148 14.952 -1.975 245 HD3 PRO 38 HD1 PRO 38 -0.256 15.289 -0.477 246 H GLY 39 HN GLY 39 -3.966 12.385 2.112 247 HA2 GLY 39 HA2 GLY 39 -6.395 12.105 2.100 248 HA3 GLY 39 HA1 GLY 39 -6.362 12.498 0.387 249 H SER 40 HN SER 40 -3.931 10.844 -0.017 250 HA SER 40 HA SER 40 -5.288 8.244 -0.106 251 HB2 SER 40 HB2 SER 40 -3.992 7.709 -1.996 252 HB3 SER 40 HB1 SER 40 -4.370 9.417 -2.220 253 HG SER 40 HG SER 40 -2.202 9.190 -2.577 254 H GLN 41 HN GLN 41 -4.593 6.611 1.113 255 HA GLN 41 HA GLN 41 -1.981 6.900 2.445 256 HB2 GLN 41 HB2 GLN 41 -4.526 5.569 3.372 257 HB3 GLN 41 HB1 GLN 41 -2.981 5.365 4.186 258 HG2 GLN 41 HG2 GLN 41 -3.147 8.069 4.038 259 HG3 GLN 41 HG1 GLN 41 -4.844 7.623 4.208 260 HE21 GLN 41 HE21 GLN 41 -5.582 7.247 6.179 261 HE22 GLN 41 HE22 GLN 41 -4.616 6.987 7.587 262 H CYS 42 HN CYS 42 -3.989 4.847 0.498 263 HA CYS 42 HA CYS 42 -1.773 2.926 0.307 264 HB2 CYS 42 HB2 CYS 42 -3.977 2.326 1.754 265 HB3 CYS 42 HB1 CYS 42 -4.456 1.749 0.163 266 H ASN 43 HN ASN 43 -1.141 3.415 -1.725 267 HA ASN 43 HA ASN 43 -3.181 3.368 -3.842 268 HB2 ASN 43 HB2 ASN 43 -1.777 5.411 -3.720 269 HB3 ASN 43 HB1 ASN 43 -0.346 4.416 -3.980 270 HD21 ASN 43 HD21 ASN 43 0.088 3.614 -5.999 271 HD22 ASN 43 HD22 ASN 43 -0.765 4.116 -7.415 272 H TYR 44 HN TYR 44 -1.261 1.269 -2.340 273 HA TYR 44 HA TYR 44 -1.346 -0.670 -4.361 274 HB2 TYR 44 HB2 TYR 44 0.592 -0.497 -5.482 275 HB3 TYR 44 HB1 TYR 44 0.766 1.097 -4.762 276 HD1 TYR 44 HD2 TYR 44 1.484 -2.487 -4.023 277 HD2 TYR 44 HD1 TYR 44 2.683 1.565 -3.552 278 HE1 TYR 44 HE2 TYR 44 3.531 -3.234 -2.904 279 HE2 TYR 44 HE1 TYR 44 4.744 0.833 -2.434 280 HH TYR 44 HH TYR 44 6.041 -1.989 -2.628 281 H GLY 45 HN GLY 45 -1.583 -2.471 -3.242 282 HA2 GLY 45 HA2 GLY 45 -0.147 -3.936 -1.663 283 HA3 GLY 45 HA1 GLY 45 -0.450 -2.620 -0.536 284 H GLU 46 HN GLU 46 -1.231 -5.091 0.212 285 HA GLU 46 HA GLU 46 -3.801 -5.902 -0.564 286 HB2 GLU 46 HB2 GLU 46 -2.054 -6.395 1.803 287 HB3 GLU 46 HB1 GLU 46 -3.736 -6.900 1.879 288 HG2 GLU 46 HG2 GLU 46 -2.210 -8.692 1.154 289 HG3 GLU 46 HG1 GLU 46 -3.459 -8.320 -0.033 290 H CYS 47 HN CYS 47 -2.770 -3.832 2.130 291 HA CYS 47 HA CYS 47 -5.343 -3.482 3.237 292 HB2 CYS 47 HB2 CYS 47 -2.758 -2.793 3.935 293 HB3 CYS 47 HB1 CYS 47 -3.528 -1.235 3.658 294 H CYS 48 HN CYS 48 -4.073 -2.211 0.358 295 HA CYS 48 HA CYS 48 -5.392 0.308 0.484 296 HB2 CYS 48 HB2 CYS 48 -4.507 -0.984 -2.071 297 HB3 CYS 48 HB1 CYS 48 -4.534 0.724 -1.638 298 H ASP 49 HN ASP 49 -7.231 0.995 -0.306 299 HA ASP 49 HA ASP 49 -8.905 -0.462 -2.088 300 HB2 ASP 49 HB2 ASP 49 -9.305 -1.716 0.037 301 HB3 ASP 49 HB1 ASP 49 -9.852 -0.216 0.780 302 H GLN 50 HN GLN 50 -9.493 1.236 -3.295 303 HA GLN 50 HA GLN 50 -10.357 3.253 -3.909 304 HB2 GLN 50 HB2 GLN 50 -12.092 2.462 -2.105 305 HB3 GLN 50 HB1 GLN 50 -11.367 3.731 -1.128 306 HG2 GLN 50 HG2 GLN 50 -11.943 5.389 -2.785 307 HG3 GLN 50 HG1 GLN 50 -12.576 4.138 -3.853 308 HE21 GLN 50 HE21 GLN 50 -13.779 6.526 -2.464 309 HE22 GLN 50 HE22 GLN 50 -15.183 5.899 -1.676 310 H CYS 51 HN CYS 51 -7.699 2.972 -2.766 311 HA CYS 51 HA CYS 51 -5.913 4.279 -2.295 312 HB2 CYS 51 HB2 CYS 51 -7.933 6.247 -3.169 313 HB3 CYS 51 HB1 CYS 51 -6.616 6.898 -2.199 314 H ARG 52 HN ARG 52 -7.627 3.220 -0.214 315 HA ARG 52 HA ARG 52 -6.661 4.892 1.975 316 HB2 ARG 52 HB2 ARG 52 -9.521 4.335 1.371 317 HB3 ARG 52 HB1 ARG 52 -9.027 4.274 3.057 318 HG2 ARG 52 HG2 ARG 52 -8.148 6.631 1.511 319 HG3 ARG 52 HG1 ARG 52 -9.874 6.502 1.857 320 HD2 ARG 52 HD2 ARG 52 -9.578 6.714 4.114 321 HD3 ARG 52 HD1 ARG 52 -7.961 6.012 4.078 322 HE ARG 52 HE ARG 52 -7.653 8.362 2.768 323 HH11 ARG 52 HH11 ARG 52 -8.998 7.507 5.873 324 HH12 ARG 52 HH12 ARG 52 -8.570 9.013 6.613 325 HH21 ARG 52 HH21 ARG 52 -7.089 10.343 3.740 326 HH22 ARG 52 HH22 ARG 52 -7.487 10.623 5.402 327 H PHE 53 HN PHE 53 -6.085 3.727 3.798 328 HA PHE 53 HA PHE 53 -5.516 1.001 3.475 329 HB2 PHE 53 HB2 PHE 53 -5.598 2.725 5.951 330 HB3 PHE 53 HB1 PHE 53 -5.117 1.029 5.991 331 HD1 PHE 53 HD1 PHE 53 -3.666 1.028 3.317 332 HD2 PHE 53 HD2 PHE 53 -3.547 3.677 6.642 333 HE1 PHE 53 HE1 PHE 53 -1.382 1.644 2.732 334 HE2 PHE 53 HE2 PHE 53 -1.243 4.307 6.057 335 HZ PHE 53 HZ PHE 53 -0.150 3.290 4.097 336 H LYS 54 HN LYS 54 -6.436 -0.843 4.187 337 HA LYS 54 HA LYS 54 -9.270 -0.849 4.486 338 HB2 LYS 54 HB2 LYS 54 -7.185 -3.005 4.814 339 HB3 LYS 54 HB1 LYS 54 -8.903 -3.309 5.023 340 HG2 LYS 54 HG2 LYS 54 -7.963 -2.030 2.506 341 HG3 LYS 54 HG1 LYS 54 -7.722 -3.762 2.736 342 HD2 LYS 54 HD2 LYS 54 -10.257 -3.687 3.430 343 HD3 LYS 54 HD1 LYS 54 -10.249 -2.207 2.468 344 HE2 LYS 54 HE2 LYS 54 -10.668 -3.603 0.756 345 HE3 LYS 54 HE1 LYS 54 -8.929 -3.890 0.812 346 HZ1 LYS 54 HZ1 LYS 54 -10.842 -5.520 2.375 347 HZ2 LYS 54 HZ2 LYS 54 -9.233 -5.874 1.993 348 HZ3 LYS 54 HZ3 LYS 54 -10.416 -5.914 0.785 349 H LYS 55 HN LYS 55 -10.091 0.077 6.266 350 HA LYS 55 HA LYS 55 -9.172 0.608 8.690 351 HB2 LYS 55 HB2 LYS 55 -11.507 1.004 7.954 352 HB3 LYS 55 HB1 LYS 55 -11.870 -0.687 8.269 353 HG2 LYS 55 HG2 LYS 55 -12.659 0.534 10.126 354 HG3 LYS 55 HG1 LYS 55 -11.184 -0.281 10.653 355 HD2 LYS 55 HD2 LYS 55 -10.040 1.954 9.926 356 HD3 LYS 55 HD1 LYS 55 -11.665 2.618 10.110 357 HE2 LYS 55 HE2 LYS 55 -10.738 2.954 12.207 358 HE3 LYS 55 HE1 LYS 55 -11.625 1.444 12.414 359 HZ1 LYS 55 HZ1 LYS 55 -8.858 1.199 11.557 360 HZ2 LYS 55 HZ2 LYS 55 -9.737 0.266 12.660 361 HZ3 LYS 55 HZ3 LYS 55 -9.095 1.756 13.137 362 H ALA 56 HN ALA 56 -8.336 -0.377 10.410 363 HA ALA 56 HA ALA 56 -7.434 -2.914 10.501 364 HB1 ALA 56 HB1 ALA 56 -6.627 -1.706 12.256 365 HB2 ALA 56 HB2 ALA 56 -7.828 -2.687 13.098 366 HB3 ALA 56 HB3 ALA 56 -8.202 -1.020 12.654 367 H GLY 57 HN GLY 57 -8.233 -4.895 10.716 368 HA2 GLY 57 HA2 GLY 57 -9.820 -6.387 11.864 369 HA3 GLY 57 HA1 GLY 57 -11.045 -5.150 11.603 370 H THR 58 HN THR 58 -9.472 -4.872 8.871 371 HA THR 58 HA THR 58 -11.326 -6.499 7.397 372 HB THR 58 HB THR 58 -8.992 -4.807 6.455 373 HG1 THR 58 HG1 THR 58 -10.523 -3.475 7.305 374 HG21 THR 58 HG21 THR 58 -11.132 -5.168 4.567 375 HG22 THR 58 HG22 THR 58 -10.399 -6.712 5.013 376 HG23 THR 58 HG23 THR 58 -9.394 -5.407 4.370 377 H VAL 59 HN VAL 59 -10.998 -8.611 7.089 378 HA VAL 59 HA VAL 59 -8.423 -9.787 7.464 379 HB VAL 59 HB VAL 59 -10.461 -11.005 8.089 380 HG11 VAL 59 HG11 VAL 59 -12.183 -11.456 6.712 381 HG12 VAL 59 HG12 VAL 59 -11.135 -11.746 5.324 382 HG13 VAL 59 HG13 VAL 59 -11.540 -10.095 5.793 383 HG21 VAL 59 HG21 VAL 59 -8.230 -12.043 6.844 384 HG22 VAL 59 HG22 VAL 59 -9.569 -12.826 6.005 385 HG23 VAL 59 HG23 VAL 59 -9.429 -12.957 7.758 386 H CYS 60 HN CYS 60 -6.855 -9.897 5.990 387 HA CYS 60 HA CYS 60 -7.618 -9.748 3.148 388 HB2 CYS 60 HB2 CYS 60 -4.807 -9.282 4.028 389 HB3 CYS 60 HB1 CYS 60 -5.686 -8.587 2.672 390 H ARG 61 HN ARG 61 -6.325 -11.853 5.479 391 HA ARG 61 HA ARG 61 -5.799 -13.854 3.444 392 HB2 ARG 61 HB2 ARG 61 -3.642 -12.441 4.081 393 HB3 ARG 61 HB1 ARG 61 -3.624 -13.519 5.467 394 HG2 ARG 61 HG2 ARG 61 -3.242 -15.400 4.166 395 HG3 ARG 61 HG1 ARG 61 -3.812 -14.617 2.693 396 HD2 ARG 61 HD2 ARG 61 -1.311 -14.968 2.900 397 HD3 ARG 61 HD1 ARG 61 -1.842 -13.341 2.491 398 HE ARG 61 HE ARG 61 -0.653 -14.220 5.013 399 HH11 ARG 61 HH11 ARG 61 -2.097 -11.635 3.147 400 HH12 ARG 61 HH12 ARG 61 -1.436 -10.385 4.145 401 HH21 ARG 61 HH21 ARG 61 0.218 -12.569 6.311 402 HH22 ARG 61 HH22 ARG 61 -0.126 -10.913 5.938 403 H ILE 62 HN ILE 62 -4.911 -15.928 4.709 404 HA ILE 62 HA ILE 62 -5.531 -16.387 7.364 405 HB ILE 62 HB ILE 62 -7.843 -15.929 6.862 406 HG12 ILE 62 HG12 ILE 62 -8.864 -18.093 7.528 407 HG13 ILE 62 HG11 ILE 62 -7.331 -18.891 7.190 408 HG21 ILE 62 HG21 ILE 62 -8.453 -16.247 4.730 409 HG22 ILE 62 HG22 ILE 62 -8.831 -17.888 5.254 410 HG23 ILE 62 HG23 ILE 62 -7.281 -17.542 4.487 411 HD11 ILE 62 HD11 ILE 62 -7.881 -16.832 9.310 412 HD12 ILE 62 HD12 ILE 62 -6.276 -17.448 8.914 413 HD13 ILE 62 HD13 ILE 62 -7.511 -18.540 9.541 414 H ALA 63 HN ALA 63 -4.739 -18.301 7.944 415 HA ALA 63 HA ALA 63 -3.305 -19.856 6.107 416 HB1 ALA 63 HB1 ALA 63 -3.892 -21.339 8.497 417 HB2 ALA 63 HB2 ALA 63 -3.484 -19.665 8.876 418 HB3 ALA 63 HB3 ALA 63 -2.363 -20.656 7.944 419 H ARG 64 HN ARG 64 -5.846 -21.217 8.175 420 HA ARG 64 HA ARG 64 -7.514 -22.116 6.104 421 HB2 ARG 64 HB2 ARG 64 -5.251 -23.518 5.933 422 HB3 ARG 64 HB1 ARG 64 -6.051 -24.478 7.170 423 HG2 ARG 64 HG2 ARG 64 -6.554 -25.473 5.085 424 HG3 ARG 64 HG1 ARG 64 -8.020 -24.652 5.626 425 HD2 ARG 64 HD2 ARG 64 -7.157 -22.671 4.217 426 HD3 ARG 64 HD1 ARG 64 -6.104 -23.865 3.459 427 HE ARG 64 HE ARG 64 -7.910 -24.656 2.313 428 HH11 ARG 64 HH11 ARG 64 -9.060 -22.816 5.046 429 HH12 ARG 64 HH12 ARG 64 -10.723 -22.917 4.574 430 HH21 ARG 64 HH21 ARG 64 -10.097 -24.789 1.689 431 HH22 ARG 64 HH22 ARG 64 -11.312 -24.037 2.668 432 H GLY 65 HN GLY 65 -8.694 -21.111 7.967 433 HA2 GLY 65 HA2 GLY 65 -10.464 -22.635 9.196 434 HA3 GLY 65 HA1 GLY 65 -9.079 -22.899 10.245 435 H ASP 66 HN ASP 66 -8.904 -21.609 11.932 436 HA ASP 66 HA ASP 66 -9.390 -18.818 11.847 437 HB2 ASP 66 HB2 ASP 66 -11.281 -18.867 13.553 438 HB3 ASP 66 HB1 ASP 66 -11.712 -19.303 11.902 439 H TRP 67 HN TRP 67 -7.264 -18.997 12.694 440 HA TRP 67 HA TRP 67 -7.154 -19.749 15.544 441 HB2 TRP 67 HB2 TRP 67 -4.523 -19.624 14.544 442 HB3 TRP 67 HB1 TRP 67 -5.422 -21.068 14.993 443 HD1 TRP 67 HD1 TRP 67 -4.869 -18.851 11.847 444 HE1 TRP 67 HE1 TRP 67 -5.048 -20.361 9.784 445 HE3 TRP 67 HE3 TRP 67 -6.085 -23.237 14.161 446 HZ2 TRP 67 HZ2 TRP 67 -5.606 -23.067 9.204 447 HZ3 TRP 67 HZ3 TRP 67 -6.422 -25.248 12.779 448 HH2 TRP 67 HH2 TRP 67 -6.187 -25.162 10.349 449 H ASN 68 HN ASN 68 -5.190 -17.845 13.313 450 HA ASN 68 HA ASN 68 -5.158 -15.643 15.268 451 HB2 ASN 68 HB2 ASN 68 -3.230 -15.919 12.982 452 HB3 ASN 68 HB1 ASN 68 -3.037 -15.019 14.483 453 HD21 ASN 68 HD21 ASN 68 -3.255 -18.268 13.138 454 HD22 ASN 68 HD22 ASN 68 -2.293 -19.034 14.353 455 H ASP 69 HN ASP 69 -5.359 -16.441 11.842 456 HA ASP 69 HA ASP 69 -6.499 -15.451 10.131 457 HB2 ASP 69 HB2 ASP 69 -7.474 -13.393 12.097 458 HB3 ASP 69 HB1 ASP 69 -8.197 -13.837 10.556 459 H ASP 70 HN ASP 70 -6.450 -13.516 8.807 460 HA ASP 70 HA ASP 70 -4.118 -11.845 9.435 461 HB2 ASP 70 HB2 ASP 70 -3.847 -13.277 7.439 462 HB3 ASP 70 HB1 ASP 70 -5.283 -12.546 6.741 463 H TYR 71 HN TYR 71 -4.561 -9.822 9.949 464 HA TYR 71 HA TYR 71 -6.917 -8.581 8.716 465 HB2 TYR 71 HB2 TYR 71 -6.235 -8.760 11.624 466 HB3 TYR 71 HB1 TYR 71 -7.267 -7.479 10.995 467 HD1 TYR 71 HD2 TYR 71 -9.270 -8.174 9.629 468 HD2 TYR 71 HD1 TYR 71 -7.150 -10.841 12.153 469 HE1 TYR 71 HE2 TYR 71 -11.225 -9.633 9.675 470 HE2 TYR 71 HE1 TYR 71 -9.084 -12.344 12.217 471 HH TYR 71 HH TYR 71 -11.373 -12.490 10.208 472 H CYS 72 HN CYS 72 -6.793 -6.524 8.190 473 HA CYS 72 HA CYS 72 -4.249 -5.274 8.045 474 HB2 CYS 72 HB2 CYS 72 -6.936 -4.826 7.049 475 HB3 CYS 72 HB1 CYS 72 -6.173 -3.318 7.550 476 H THR 73 HN THR 73 -3.898 -3.000 8.855 477 HA THR 73 HA THR 73 -5.042 -2.703 11.555 478 HB THR 73 HB THR 73 -2.951 -2.050 12.421 479 HG1 THR 73 HG1 THR 73 -1.213 -1.506 11.152 480 HG21 THR 73 HG21 THR 73 -1.820 -3.976 12.349 481 HG22 THR 73 HG22 THR 73 -1.708 -3.964 10.589 482 HG23 THR 73 HG23 THR 73 -3.181 -4.535 11.376 483 H GLY 74 HN GLY 74 -5.312 -1.414 8.650 484 HA2 GLY 74 HA2 GLY 74 -5.822 0.658 7.806 485 HA3 GLY 74 HA1 GLY 74 -6.419 0.993 9.423 486 H LYS 75 HN LYS 75 -3.064 0.236 9.000 487 HA LYS 75 HA LYS 75 -2.389 3.092 9.198 488 HB2 LYS 75 HB2 LYS 75 -1.164 0.840 10.797 489 HB3 LYS 75 HB1 LYS 75 -0.597 2.505 10.798 490 HG2 LYS 75 HG2 LYS 75 -3.209 2.854 11.423 491 HG3 LYS 75 HG1 LYS 75 -2.886 1.287 12.167 492 HD2 LYS 75 HD2 LYS 75 -1.025 2.219 13.404 493 HD3 LYS 75 HD1 LYS 75 -1.231 3.774 12.595 494 HE2 LYS 75 HE2 LYS 75 -3.043 2.447 14.592 495 HE3 LYS 75 HE1 LYS 75 -2.244 4.015 14.710 496 HZ1 LYS 75 HZ1 LYS 75 -4.494 3.286 12.918 497 HZ2 LYS 75 HZ2 LYS 75 -3.650 4.748 12.819 498 HZ3 LYS 75 HZ3 LYS 75 -4.529 4.373 14.214 499 H SER 76 HN SER 76 -2.087 0.410 7.347 500 HA SER 76 HA SER 76 0.068 1.493 5.836 501 HB2 SER 76 HB2 SER 76 1.098 0.172 7.873 502 HB3 SER 76 HB1 SER 76 0.727 -1.233 6.874 503 HG SER 76 HG SER 76 2.174 -0.605 5.415 504 H SER 77 HN SER 77 0.751 -0.158 4.081 505 HA SER 77 HA SER 77 -1.697 -1.184 2.886 506 HB2 SER 77 HB2 SER 77 -0.527 -1.205 0.851 507 HB3 SER 77 HB1 SER 77 0.152 0.187 1.694 508 HG SER 77 HG SER 77 1.985 -0.775 1.346 509 H ASP 78 HN ASP 78 0.093 -2.466 5.153 510 HA ASP 78 HA ASP 78 0.344 -5.113 3.891 511 HB2 ASP 78 HB2 ASP 78 1.804 -3.801 6.162 512 HB3 ASP 78 HB1 ASP 78 1.755 -5.556 6.032 513 H CYS 79 HN CYS 79 -0.513 -6.918 4.845 514 HA CYS 79 HA CYS 79 -2.391 -6.453 7.078 515 HB2 CYS 79 HB2 CYS 79 -3.173 -7.008 4.563 516 HB3 CYS 79 HB1 CYS 79 -2.946 -8.648 5.160 517 HA PRO 80 HA PRO 80 0.426 -9.654 8.709 518 HB2 PRO 80 HB2 PRO 80 -0.263 -9.308 11.306 519 HB3 PRO 80 HB1 PRO 80 0.864 -8.234 10.469 520 HG2 PRO 80 HG2 PRO 80 -2.058 -7.854 11.017 521 HG3 PRO 80 HG1 PRO 80 -0.727 -6.696 11.206 522 HD2 PRO 80 HD2 PRO 80 -2.364 -6.664 9.059 523 HD3 PRO 80 HD1 PRO 80 -0.649 -6.222 8.948 524 H TRP 81 HN TRP 81 -0.067 -11.759 8.751 525 HA TRP 81 HA TRP 81 -2.817 -12.566 9.226 526 HB2 TRP 81 HB2 TRP 81 -2.155 -14.754 8.330 527 HB3 TRP 81 HB1 TRP 81 -1.850 -13.432 7.216 528 HD1 TRP 81 HD1 TRP 81 1.004 -13.011 9.294 529 HE1 TRP 81 HE1 TRP 81 3.026 -14.363 8.454 530 HE3 TRP 81 HE3 TRP 81 -1.435 -16.243 6.241 531 HZ2 TRP 81 HZ2 TRP 81 3.506 -16.534 6.702 532 HZ3 TRP 81 HZ3 TRP 81 -0.142 -17.944 5.005 533 HH2 TRP 81 HH2 TRP 81 2.286 -18.084 5.240 534 H ASN 82 HN ASN 82 0.100 -12.528 10.872 535 HA ASN 82 HA ASN 82 0.781 -13.296 12.904 536 HB2 ASN 82 HB2 ASN 82 -2.195 -13.724 13.226 537 HB3 ASN 82 HB1 ASN 82 -1.028 -13.897 14.533 538 HD21 ASN 82 HD21 ASN 82 -2.435 -11.643 12.246 539 HD22 ASN 82 HD22 ASN 82 -2.091 -10.214 13.155 540 H HIS 83 HN HIS 83 2.005 -15.052 12.387 541 HA HIS 83 HA HIS 83 0.914 -17.631 13.030 542 HB2 HIS 83 HB2 HIS 83 1.611 -16.912 10.200 543 HB3 HIS 83 HB1 HIS 83 1.806 -18.567 10.771 544 HD1 HIS 83 HD1 HIS 83 -0.396 -19.807 11.533 545 HD2 HIS 83 HD2 HIS 83 -0.983 -16.148 9.655 546 HE1 HIS 83 HE1 HIS 83 -2.829 -19.751 10.914 547 HE2 HIS 83 HE2 HIS 83 -3.142 -17.571 9.695 Start of MODEL 31 1 H1 SER 1 HT1 SER 1 14.894 -0.289 -15.582 2 H2 SER 1 HT2 SER 1 16.140 0.837 -15.231 3 H3 SER 1 HT3 SER 1 15.023 1.156 -16.495 4 HA SER 1 HA SER 1 14.300 2.466 -14.797 5 HB2 SER 1 HB2 SER 1 12.864 -0.009 -15.395 6 HB3 SER 1 HB1 SER 1 12.384 0.694 -13.851 7 HG SER 1 HG SER 1 11.645 1.451 -16.262 8 HA PRO 2 HA PRO 2 16.494 0.618 -11.123 9 HB2 PRO 2 HB2 PRO 2 17.850 2.875 -10.462 10 HB3 PRO 2 HB1 PRO 2 18.458 1.697 -11.632 11 HG2 PRO 2 HG2 PRO 2 17.056 4.298 -12.115 12 HG3 PRO 2 HG1 PRO 2 18.468 3.616 -12.945 13 HD2 PRO 2 HD2 PRO 2 15.970 3.504 -13.986 14 HD3 PRO 2 HD1 PRO 2 17.181 2.237 -14.269 15 HA PRO 3 HA PRO 3 13.871 2.285 -7.990 16 HB2 PRO 3 HB2 PRO 3 15.533 2.612 -5.855 17 HB3 PRO 3 HB1 PRO 3 14.955 1.036 -6.403 18 HG2 PRO 3 HG2 PRO 3 17.575 2.385 -6.921 19 HG3 PRO 3 HG1 PRO 3 17.248 0.688 -6.522 20 HD2 PRO 3 HD2 PRO 3 17.752 1.498 -9.044 21 HD3 PRO 3 HD1 PRO 3 16.635 0.166 -8.685 22 H VAL 4 HN VAL 4 14.148 4.304 -9.586 23 HA VAL 4 HA VAL 4 15.017 6.583 -7.932 24 HB VAL 4 HB VAL 4 14.891 6.583 -10.939 25 HG11 VAL 4 HG11 VAL 4 15.587 8.539 -8.847 26 HG12 VAL 4 HG12 VAL 4 14.936 8.789 -10.467 27 HG13 VAL 4 HG13 VAL 4 16.660 8.492 -10.246 28 HG21 VAL 4 HG21 VAL 4 17.400 6.342 -9.297 29 HG22 VAL 4 HG22 VAL 4 17.217 6.179 -11.044 30 HG23 VAL 4 HG23 VAL 4 16.562 4.943 -9.969 31 H CYS 5 HN CYS 5 13.774 8.481 -7.985 32 HA CYS 5 HA CYS 5 10.947 8.005 -8.359 33 HB2 CYS 5 HB2 CYS 5 12.561 9.820 -6.835 34 HB3 CYS 5 HB1 CYS 5 11.484 10.768 -7.854 35 H GLY 6 HN GLY 6 10.679 7.723 -10.504 36 HA2 GLY 6 HA2 GLY 6 9.831 9.390 -12.279 37 HA3 GLY 6 HA1 GLY 6 11.527 9.866 -12.315 38 H ASN 7 HN ASN 7 10.559 6.595 -11.725 39 HA ASN 7 HA ASN 7 11.329 5.790 -14.441 40 HB2 ASN 7 HB2 ASN 7 12.340 4.757 -11.790 41 HB3 ASN 7 HB1 ASN 7 12.330 3.721 -13.217 42 HD21 ASN 7 HD21 ASN 7 14.660 4.374 -11.913 43 HD22 ASN 7 HD22 ASN 7 15.620 5.388 -12.931 44 H LYS 8 HN LYS 8 8.865 6.109 -12.561 45 HA LYS 8 HA LYS 8 6.810 5.204 -12.496 46 HB2 LYS 8 HB2 LYS 8 8.055 3.607 -14.608 47 HB3 LYS 8 HB1 LYS 8 6.823 2.725 -13.717 48 HG2 LYS 8 HG2 LYS 8 5.156 3.909 -14.620 49 HG3 LYS 8 HG1 LYS 8 6.028 5.436 -14.467 50 HD2 LYS 8 HD2 LYS 8 6.473 3.353 -16.606 51 HD3 LYS 8 HD1 LYS 8 5.605 4.876 -16.812 52 HE2 LYS 8 HE2 LYS 8 7.499 6.017 -17.094 53 HE3 LYS 8 HE1 LYS 8 8.235 5.284 -15.669 54 HZ1 LYS 8 HZ1 LYS 8 9.404 4.823 -17.797 55 HZ2 LYS 8 HZ2 LYS 8 8.059 3.931 -18.303 56 HZ3 LYS 8 HZ3 LYS 8 8.943 3.431 -16.951 57 H ILE 9 HN ILE 9 9.355 4.358 -10.945 58 HA ILE 9 HA ILE 9 8.131 2.118 -9.483 59 HB ILE 9 HB ILE 9 11.045 2.931 -9.643 60 HG12 ILE 9 HG12 ILE 9 10.837 0.284 -10.395 61 HG13 ILE 9 HG11 ILE 9 9.391 1.000 -11.100 62 HG21 ILE 9 HG21 ILE 9 9.585 1.070 -7.845 63 HG22 ILE 9 HG22 ILE 9 10.967 2.116 -7.515 64 HG23 ILE 9 HG23 ILE 9 11.194 0.606 -8.399 65 HD11 ILE 9 HD11 ILE 9 12.239 1.440 -11.747 66 HD12 ILE 9 HD12 ILE 9 11.152 2.822 -11.882 67 HD13 ILE 9 HD13 ILE 9 10.830 1.354 -12.805 68 H LEU 10 HN LEU 10 8.140 2.281 -7.197 69 HA LEU 10 HA LEU 10 7.797 4.951 -6.234 70 HB2 LEU 10 HB2 LEU 10 7.774 3.499 -3.963 71 HB3 LEU 10 HB1 LEU 10 6.384 3.717 -5.004 72 HG LEU 10 HG LEU 10 8.209 1.392 -5.454 73 HD11 LEU 10 HD11 LEU 10 7.754 1.311 -3.087 74 HD12 LEU 10 HD12 LEU 10 6.817 0.068 -3.918 75 HD13 LEU 10 HD13 LEU 10 6.032 1.553 -3.380 76 HD21 LEU 10 HD21 LEU 10 6.413 0.478 -6.577 77 HD22 LEU 10 HD22 LEU 10 6.221 2.196 -6.933 78 HD23 LEU 10 HD23 LEU 10 5.231 1.436 -5.684 79 H GLU 11 HN GLU 11 10.258 5.031 -7.144 80 HA GLU 11 HA GLU 11 12.514 5.137 -6.686 81 HB2 GLU 11 HB2 GLU 11 11.656 7.283 -6.008 82 HB3 GLU 11 HB1 GLU 11 11.207 6.649 -4.433 83 HG2 GLU 11 HG2 GLU 11 13.360 6.646 -3.663 84 HG3 GLU 11 HG1 GLU 11 14.048 6.476 -5.277 85 H GLN 12 HN GLN 12 12.688 2.828 -6.244 86 HA GLN 12 HA GLN 12 13.529 1.104 -5.034 87 HB2 GLN 12 HB2 GLN 12 14.896 3.315 -4.126 88 HB3 GLN 12 HB1 GLN 12 14.309 2.585 -2.640 89 HG2 GLN 12 HG2 GLN 12 15.473 0.668 -4.505 90 HG3 GLN 12 HG1 GLN 12 16.601 1.903 -3.948 91 HE21 GLN 12 HE21 GLN 12 14.501 -0.709 -2.980 92 HE22 GLN 12 HE22 GLN 12 15.199 -0.955 -1.419 93 H GLY 13 HN GLY 13 12.611 3.049 -2.232 94 HA2 GLY 13 HA2 GLY 13 10.325 1.279 -1.750 95 HA3 GLY 13 HA1 GLY 13 11.578 1.365 -0.520 96 H GLU 14 HN GLU 14 10.861 4.173 -2.379 97 HA GLU 14 HA GLU 14 10.395 5.829 -0.206 98 HB2 GLU 14 HB2 GLU 14 9.986 5.980 -3.139 99 HB3 GLU 14 HB1 GLU 14 9.186 7.202 -2.155 100 HG2 GLU 14 HG2 GLU 14 12.129 6.577 -2.077 101 HG3 GLU 14 HG1 GLU 14 11.405 7.903 -2.981 102 H ASP 15 HN ASP 15 8.142 4.032 -2.200 103 HA ASP 15 HA ASP 15 6.132 3.105 -1.544 104 HB2 ASP 15 HB2 ASP 15 6.856 3.984 0.859 105 HB3 ASP 15 HB1 ASP 15 5.570 5.145 0.545 106 H CYS 16 HN CYS 16 6.622 5.292 -3.442 107 HA CYS 16 HA CYS 16 4.252 5.698 -4.560 108 HB2 CYS 16 HB2 CYS 16 4.332 7.311 -2.129 109 HB3 CYS 16 HB1 CYS 16 3.903 8.232 -3.563 110 H ASP 17 HN ASP 17 4.902 6.249 -6.480 111 HA ASP 17 HA ASP 17 6.193 8.754 -6.974 112 HB2 ASP 17 HB2 ASP 17 8.172 7.469 -6.366 113 HB3 ASP 17 HB1 ASP 17 7.725 6.207 -7.508 114 H CYS 18 HN CYS 18 6.490 9.144 -9.292 115 HA CYS 18 HA CYS 18 4.931 7.366 -11.019 116 HB2 CYS 18 HB2 CYS 18 3.946 9.487 -12.055 117 HB3 CYS 18 HB1 CYS 18 3.305 8.991 -10.494 118 H GLY 19 HN GLY 19 5.333 7.700 -13.308 119 HA2 GLY 19 HA2 GLY 19 7.923 7.664 -14.098 120 HA3 GLY 19 HA1 GLY 19 6.627 8.203 -15.152 121 H SER 20 HN SER 20 5.898 10.606 -14.261 122 HA SER 20 HA SER 20 8.345 12.186 -13.928 123 HB2 SER 20 HB2 SER 20 6.484 12.237 -16.245 124 HB3 SER 20 HB1 SER 20 7.067 13.793 -15.656 125 HG SER 20 HG SER 20 9.170 13.103 -15.997 126 HA PRO 21 HA PRO 21 5.851 14.212 -10.862 127 HB2 PRO 21 HB2 PRO 21 7.234 16.594 -10.784 128 HB3 PRO 21 HB1 PRO 21 7.719 15.128 -9.927 129 HG2 PRO 21 HG2 PRO 21 8.697 16.208 -12.540 130 HG3 PRO 21 HG1 PRO 21 9.619 15.473 -11.215 131 HD2 PRO 21 HD2 PRO 21 9.021 14.090 -13.430 132 HD3 PRO 21 HD1 PRO 21 9.026 13.316 -11.831 133 H ALA 22 HN ALA 22 6.385 15.425 -14.055 134 HA ALA 22 HA ALA 22 4.513 17.616 -13.771 135 HB1 ALA 22 HB1 ALA 22 6.292 16.625 -15.946 136 HB2 ALA 22 HB2 ALA 22 6.164 18.236 -15.240 137 HB3 ALA 22 HB3 ALA 22 4.927 17.663 -16.358 138 H ASN 23 HN ASN 23 4.633 14.412 -15.227 139 HA ASN 23 HA ASN 23 1.903 14.691 -16.201 140 HB2 ASN 23 HB2 ASN 23 3.851 12.391 -16.459 141 HB3 ASN 23 HB1 ASN 23 2.270 12.479 -17.229 142 HD21 ASN 23 HD21 ASN 23 5.412 14.056 -17.036 143 HD22 ASN 23 HD22 ASN 23 5.391 14.697 -18.640 144 H CYS 24 HN CYS 24 3.785 12.649 -14.031 145 HA CYS 24 HA CYS 24 3.139 11.043 -12.522 146 HB2 CYS 24 HB2 CYS 24 2.902 13.524 -11.568 147 HB3 CYS 24 HB1 CYS 24 1.236 12.993 -11.357 148 H GLN 25 HN GLN 25 2.028 9.360 -13.337 149 HA GLN 25 HA GLN 25 -0.820 9.645 -13.901 150 HB2 GLN 25 HB2 GLN 25 -0.668 7.432 -14.891 151 HB3 GLN 25 HB1 GLN 25 0.609 8.461 -15.524 152 HG2 GLN 25 HG2 GLN 25 1.844 7.290 -13.398 153 HG3 GLN 25 HG1 GLN 25 0.773 6.004 -13.951 154 HE21 GLN 25 HE21 GLN 25 3.430 8.094 -14.810 155 HE22 GLN 25 HE22 GLN 25 3.970 7.178 -16.172 156 H ASP 26 HN ASP 26 -0.015 9.861 -11.175 157 HA ASP 26 HA ASP 26 -1.660 7.749 -10.057 158 HB2 ASP 26 HB2 ASP 26 1.106 8.275 -8.949 159 HB3 ASP 26 HB1 ASP 26 -0.059 7.091 -8.364 160 H ARG 27 HN ARG 27 -3.172 9.237 -9.447 161 HA ARG 27 HA ARG 27 -2.628 11.733 -8.279 162 HB2 ARG 27 HB2 ARG 27 -4.984 11.806 -7.725 163 HB3 ARG 27 HB1 ARG 27 -4.775 11.133 -9.336 164 HG2 ARG 27 HG2 ARG 27 -4.851 9.138 -7.193 165 HG3 ARG 27 HG1 ARG 27 -6.339 10.065 -7.392 166 HD2 ARG 27 HD2 ARG 27 -6.807 9.128 -9.387 167 HD3 ARG 27 HD1 ARG 27 -5.117 9.112 -9.890 168 HE ARG 27 HE ARG 27 -5.689 7.190 -7.846 169 HH11 ARG 27 HH11 ARG 27 -5.804 7.788 -11.282 170 HH12 ARG 27 HH12 ARG 27 -5.736 6.110 -11.703 171 HH21 ARG 27 HH21 ARG 27 -5.600 4.982 -8.397 172 HH22 ARG 27 HH22 ARG 27 -5.621 4.517 -10.065 173 H CYS 28 HN CYS 28 -2.554 8.567 -6.955 174 HA CYS 28 HA CYS 28 -2.843 9.520 -4.217 175 HB2 CYS 28 HB2 CYS 28 -3.474 7.122 -5.466 176 HB3 CYS 28 HB1 CYS 28 -2.041 6.735 -4.521 177 H CYS 29 HN CYS 29 -0.369 8.603 -6.477 178 HA CYS 29 HA CYS 29 1.650 8.862 -4.345 179 HB2 CYS 29 HB2 CYS 29 1.691 7.255 -6.896 180 HB3 CYS 29 HB1 CYS 29 3.147 7.597 -5.970 181 H ASN 30 HN ASN 30 3.018 10.523 -4.467 182 HA ASN 30 HA ASN 30 3.128 12.009 -7.010 183 HB2 ASN 30 HB2 ASN 30 2.103 13.295 -5.205 184 HB3 ASN 30 HB1 ASN 30 3.515 13.033 -4.192 185 HD21 ASN 30 HD21 ASN 30 4.768 14.735 -4.076 186 HD22 ASN 30 HD22 ASN 30 5.053 15.885 -5.329 187 H ALA 31 HN ALA 31 5.006 12.255 -8.007 188 HA ALA 31 HA ALA 31 7.328 10.868 -7.086 189 HB1 ALA 31 HB1 ALA 31 8.318 12.143 -9.160 190 HB2 ALA 31 HB2 ALA 31 6.618 12.476 -9.493 191 HB3 ALA 31 HB3 ALA 31 7.184 10.812 -9.378 192 H ALA 32 HN ALA 32 6.424 14.266 -7.422 193 HA ALA 32 HA ALA 32 8.852 15.466 -6.816 194 HB1 ALA 32 HB1 ALA 32 6.211 16.300 -7.206 195 HB2 ALA 32 HB2 ALA 32 7.649 17.313 -7.073 196 HB3 ALA 32 HB3 ALA 32 6.691 16.946 -5.637 197 H THR 33 HN THR 33 6.809 13.629 -4.768 198 HA THR 33 HA THR 33 8.271 14.602 -2.402 199 HB THR 33 HB THR 33 5.780 15.007 -2.407 200 HG1 THR 33 HG1 THR 33 6.652 13.199 -0.410 201 HG21 THR 33 HG21 THR 33 5.469 12.073 -1.894 202 HG22 THR 33 HG22 THR 33 5.282 12.752 -3.510 203 HG23 THR 33 HG23 THR 33 4.228 13.290 -2.203 204 H CYS 34 HN CYS 34 7.353 11.906 -4.364 205 HA CYS 34 HA CYS 34 7.958 9.721 -4.360 206 HB2 CYS 34 HB2 CYS 34 10.048 10.687 -2.395 207 HB3 CYS 34 HB1 CYS 34 10.034 9.100 -3.153 208 H LYS 35 HN LYS 35 5.807 10.387 -2.908 209 HA LYS 35 HA LYS 35 5.545 8.226 -1.114 210 HB2 LYS 35 HB2 LYS 35 6.424 9.121 0.747 211 HB3 LYS 35 HB1 LYS 35 6.544 10.711 0.013 212 HG2 LYS 35 HG2 LYS 35 4.190 11.134 0.588 213 HG3 LYS 35 HG1 LYS 35 4.115 9.552 1.367 214 HD2 LYS 35 HD2 LYS 35 5.479 10.200 3.113 215 HD3 LYS 35 HD1 LYS 35 6.239 11.489 2.177 216 HE2 LYS 35 HE2 LYS 35 4.878 12.642 3.670 217 HE3 LYS 35 HE1 LYS 35 3.909 12.584 2.198 218 HZ1 LYS 35 HZ1 LYS 35 2.419 11.964 3.825 219 HZ2 LYS 35 HZ2 LYS 35 3.559 11.076 4.704 220 HZ3 LYS 35 HZ3 LYS 35 2.943 10.460 3.254 221 H LEU 36 HN LEU 36 3.392 8.290 0.018 222 HA LEU 36 HA LEU 36 1.326 8.786 -1.748 223 HB2 LEU 36 HB2 LEU 36 1.385 8.435 1.232 224 HB3 LEU 36 HB1 LEU 36 -0.124 8.715 0.385 225 HG LEU 36 HG LEU 36 1.704 6.458 -0.387 226 HD11 LEU 36 HD11 LEU 36 1.346 5.893 1.829 227 HD12 LEU 36 HD12 LEU 36 0.010 5.089 1.005 228 HD13 LEU 36 HD13 LEU 36 -0.266 6.608 1.858 229 HD21 LEU 36 HD21 LEU 36 -0.341 7.404 -1.746 230 HD22 LEU 36 HD22 LEU 36 -1.265 6.443 -0.592 231 HD23 LEU 36 HD23 LEU 36 -0.057 5.669 -1.617 232 H THR 37 HN THR 37 0.226 10.522 -2.357 233 HA THR 37 HA THR 37 0.934 13.120 -1.486 234 HB THR 37 HB THR 37 -0.621 13.917 -3.069 235 HG1 THR 37 HG1 THR 37 -2.527 13.091 -3.245 236 HG21 THR 37 HG21 THR 37 -0.422 11.379 -4.491 237 HG22 THR 37 HG22 THR 37 1.114 11.984 -3.873 238 HG23 THR 37 HG23 THR 37 0.138 12.988 -4.945 239 HA PRO 38 HA PRO 38 -1.544 14.122 2.011 240 HB2 PRO 38 HB2 PRO 38 -3.100 16.212 0.901 241 HB3 PRO 38 HB1 PRO 38 -1.599 16.374 1.814 242 HG2 PRO 38 HG2 PRO 38 -2.040 16.386 -1.124 243 HG3 PRO 38 HG1 PRO 38 -0.816 17.236 -0.163 244 HD2 PRO 38 HD2 PRO 38 -0.185 15.094 -1.639 245 HD3 PRO 38 HD1 PRO 38 0.568 15.372 -0.055 246 H GLY 39 HN GLY 39 -3.063 12.703 2.581 247 HA2 GLY 39 HA2 GLY 39 -5.361 12.136 2.795 248 HA3 GLY 39 HA1 GLY 39 -5.643 12.788 1.187 249 H SER 40 HN SER 40 -2.888 10.770 1.579 250 HA SER 40 HA SER 40 -4.357 8.459 0.509 251 HB2 SER 40 HB2 SER 40 -1.715 9.537 -0.504 252 HB3 SER 40 HB1 SER 40 -2.453 8.022 -1.022 253 HG SER 40 HG SER 40 -4.322 9.425 -1.591 254 H GLN 41 HN GLN 41 -4.026 6.686 1.681 255 HA GLN 41 HA GLN 41 -1.598 6.556 3.346 256 HB2 GLN 41 HB2 GLN 41 -4.328 5.354 3.822 257 HB3 GLN 41 HB1 GLN 41 -2.921 5.058 4.834 258 HG2 GLN 41 HG2 GLN 41 -3.842 7.852 4.335 259 HG3 GLN 41 HG1 GLN 41 -4.660 6.845 5.529 260 HE21 GLN 41 HE21 GLN 41 -1.513 8.124 4.590 261 HE22 GLN 41 HE22 GLN 41 -0.848 8.160 6.184 262 H CYS 42 HN CYS 42 -3.644 4.830 1.094 263 HA CYS 42 HA CYS 42 -1.532 2.824 0.773 264 HB2 CYS 42 HB2 CYS 42 -3.764 2.238 2.231 265 HB3 CYS 42 HB1 CYS 42 -4.217 1.688 0.624 266 H ASN 43 HN ASN 43 -0.942 3.094 -1.274 267 HA ASN 43 HA ASN 43 -3.043 3.427 -3.309 268 HB2 ASN 43 HB2 ASN 43 -1.498 5.308 -3.252 269 HB3 ASN 43 HB1 ASN 43 -0.123 4.216 -3.399 270 HD21 ASN 43 HD21 ASN 43 0.579 3.701 -5.360 271 HD22 ASN 43 HD22 ASN 43 -0.221 4.088 -6.842 272 H TYR 44 HN TYR 44 -1.176 1.102 -1.977 273 HA TYR 44 HA TYR 44 -1.643 -0.785 -3.987 274 HB2 TYR 44 HB2 TYR 44 0.121 -0.698 -5.369 275 HB3 TYR 44 HB1 TYR 44 0.545 0.836 -4.623 276 HD1 TYR 44 HD1 TYR 44 1.002 -2.831 -4.100 277 HD2 TYR 44 HD2 TYR 44 2.653 1.067 -3.702 278 HE1 TYR 44 HE1 TYR 44 3.103 -3.813 -3.309 279 HE2 TYR 44 HE2 TYR 44 4.767 0.099 -2.912 280 HH TYR 44 HH TYR 44 5.187 -2.645 -1.677 281 H GLY 45 HN GLY 45 -1.895 -2.559 -2.837 282 HA2 GLY 45 HA2 GLY 45 -0.264 -4.098 -1.450 283 HA3 GLY 45 HA1 GLY 45 -0.526 -2.819 -0.271 284 H GLU 46 HN GLU 46 -1.210 -5.351 0.403 285 HA GLU 46 HA GLU 46 -3.764 -6.247 -0.221 286 HB2 GLU 46 HB2 GLU 46 -1.881 -6.625 2.044 287 HB3 GLU 46 HB1 GLU 46 -3.547 -7.134 2.287 288 HG2 GLU 46 HG2 GLU 46 -2.064 -8.946 1.509 289 HG3 GLU 46 HG1 GLU 46 -3.427 -8.642 0.432 290 H CYS 47 HN CYS 47 -2.751 -4.085 2.407 291 HA CYS 47 HA CYS 47 -5.373 -3.845 3.493 292 HB2 CYS 47 HB2 CYS 47 -2.714 -2.672 4.006 293 HB3 CYS 47 HB1 CYS 47 -4.094 -1.725 4.543 294 H CYS 48 HN CYS 48 -3.875 -2.291 0.819 295 HA CYS 48 HA CYS 48 -5.159 0.210 1.027 296 HB2 CYS 48 HB2 CYS 48 -4.351 -1.030 -1.585 297 HB3 CYS 48 HB1 CYS 48 -4.352 0.670 -1.120 298 H ASP 49 HN ASP 49 -6.901 1.073 0.041 299 HA ASP 49 HA ASP 49 -8.654 -0.213 -1.726 300 HB2 ASP 49 HB2 ASP 49 -9.106 -1.656 0.245 301 HB3 ASP 49 HB1 ASP 49 -9.577 -0.227 1.160 302 H GLN 50 HN GLN 50 -9.304 1.554 -2.776 303 HA GLN 50 HA GLN 50 -10.194 3.602 -3.216 304 HB2 GLN 50 HB2 GLN 50 -11.327 2.898 -0.610 305 HB3 GLN 50 HB1 GLN 50 -11.213 4.633 -0.865 306 HG2 GLN 50 HG2 GLN 50 -12.296 3.145 -3.140 307 HG3 GLN 50 HG1 GLN 50 -13.274 3.066 -1.675 308 HE21 GLN 50 HE21 GLN 50 -11.341 5.556 -3.315 309 HE22 GLN 50 HE22 GLN 50 -12.575 6.765 -3.299 310 H CYS 51 HN CYS 51 -7.460 3.266 -2.348 311 HA CYS 51 HA CYS 51 -5.631 4.551 -1.960 312 HB2 CYS 51 HB2 CYS 51 -7.717 6.517 -2.594 313 HB3 CYS 51 HB1 CYS 51 -6.395 7.162 -1.626 314 H ARG 52 HN ARG 52 -7.397 3.501 0.240 315 HA ARG 52 HA ARG 52 -6.074 4.962 2.397 316 HB2 ARG 52 HB2 ARG 52 -8.649 5.578 1.882 317 HB3 ARG 52 HB1 ARG 52 -8.885 4.202 2.951 318 HG2 ARG 52 HG2 ARG 52 -8.142 5.311 4.769 319 HG3 ARG 52 HG1 ARG 52 -6.948 6.233 3.855 320 HD2 ARG 52 HD2 ARG 52 -9.074 7.379 2.835 321 HD3 ARG 52 HD1 ARG 52 -9.843 6.791 4.309 322 HE ARG 52 HE ARG 52 -7.624 8.030 5.228 323 HH11 ARG 52 HH11 ARG 52 -10.189 9.024 3.081 324 HH12 ARG 52 HH12 ARG 52 -10.082 10.694 3.524 325 HH21 ARG 52 HH21 ARG 52 -7.482 10.227 5.812 326 HH22 ARG 52 HH22 ARG 52 -8.545 11.378 5.074 327 H PHE 53 HN PHE 53 -5.764 3.720 4.309 328 HA PHE 53 HA PHE 53 -5.327 0.981 3.860 329 HB2 PHE 53 HB2 PHE 53 -5.410 2.589 6.412 330 HB3 PHE 53 HB1 PHE 53 -5.041 0.865 6.391 331 HD1 PHE 53 HD2 PHE 53 -3.506 0.978 3.721 332 HD2 PHE 53 HD1 PHE 53 -3.303 3.280 7.293 333 HE1 PHE 53 HE2 PHE 53 -1.165 1.471 3.258 334 HE2 PHE 53 HE1 PHE 53 -0.939 3.783 6.832 335 HZ PHE 53 HZ PHE 53 0.139 2.878 4.810 336 H LYS 54 HN LYS 54 -6.351 -0.842 4.559 337 HA LYS 54 HA LYS 54 -9.198 -0.701 4.643 338 HB2 LYS 54 HB2 LYS 54 -7.150 -2.845 4.704 339 HB3 LYS 54 HB1 LYS 54 -8.713 -3.239 5.403 340 HG2 LYS 54 HG2 LYS 54 -9.816 -3.048 3.392 341 HG3 LYS 54 HG1 LYS 54 -8.586 -1.989 2.699 342 HD2 LYS 54 HD2 LYS 54 -7.155 -3.746 2.223 343 HD3 LYS 54 HD1 LYS 54 -7.893 -4.805 3.427 344 HE2 LYS 54 HE2 LYS 54 -9.993 -4.404 1.785 345 HE3 LYS 54 HE1 LYS 54 -8.667 -4.273 0.631 346 HZ1 LYS 54 HZ1 LYS 54 -9.398 -6.538 0.756 347 HZ2 LYS 54 HZ2 LYS 54 -9.218 -6.565 2.437 348 HZ3 LYS 54 HZ3 LYS 54 -7.855 -6.436 1.443 349 H LYS 55 HN LYS 55 -10.272 0.010 6.369 350 HA LYS 55 HA LYS 55 -9.490 0.532 8.873 351 HB2 LYS 55 HB2 LYS 55 -11.767 0.945 8.011 352 HB3 LYS 55 HB1 LYS 55 -12.137 -0.764 8.199 353 HG2 LYS 55 HG2 LYS 55 -12.386 -0.607 10.439 354 HG3 LYS 55 HG1 LYS 55 -11.143 0.636 10.601 355 HD2 LYS 55 HD2 LYS 55 -13.618 1.393 9.161 356 HD3 LYS 55 HD1 LYS 55 -13.753 1.140 10.903 357 HE2 LYS 55 HE2 LYS 55 -11.513 2.805 9.866 358 HE3 LYS 55 HE1 LYS 55 -13.134 3.498 9.902 359 HZ1 LYS 55 HZ1 LYS 55 -11.702 3.866 11.929 360 HZ2 LYS 55 HZ2 LYS 55 -11.910 2.223 12.277 361 HZ3 LYS 55 HZ3 LYS 55 -13.252 3.250 12.218 362 H ALA 56 HN ALA 56 -8.671 -0.518 10.560 363 HA ALA 56 HA ALA 56 -7.807 -3.068 10.631 364 HB1 ALA 56 HB1 ALA 56 -8.293 -2.884 13.220 365 HB2 ALA 56 HB2 ALA 56 -8.627 -1.205 12.792 366 HB3 ALA 56 HB3 ALA 56 -7.048 -1.908 12.439 367 H GLY 57 HN GLY 57 -8.680 -5.027 10.623 368 HA2 GLY 57 HA2 GLY 57 -10.301 -6.554 11.699 369 HA3 GLY 57 HA1 GLY 57 -11.498 -5.280 11.504 370 H THR 58 HN THR 58 -9.802 -4.963 8.808 371 HA THR 58 HA THR 58 -11.711 -6.424 7.212 372 HB THR 58 HB THR 58 -9.326 -4.721 6.453 373 HG1 THR 58 HG1 THR 58 -10.652 -3.110 6.592 374 HG21 THR 58 HG21 THR 58 -10.623 -6.501 4.803 375 HG22 THR 58 HG22 THR 58 -9.666 -5.104 4.301 376 HG23 THR 58 HG23 THR 58 -11.417 -4.962 4.469 377 H VAL 59 HN VAL 59 -11.387 -8.590 7.100 378 HA VAL 59 HA VAL 59 -8.872 -9.834 7.345 379 HB VAL 59 HB VAL 59 -10.998 -11.010 7.802 380 HG11 VAL 59 HG11 VAL 59 -12.625 -11.355 6.292 381 HG12 VAL 59 HG12 VAL 59 -11.485 -11.664 4.983 382 HG13 VAL 59 HG13 VAL 59 -11.871 -10.006 5.444 383 HG21 VAL 59 HG21 VAL 59 -10.331 -13.052 6.174 384 HG22 VAL 59 HG22 VAL 59 -9.446 -12.639 7.642 385 HG23 VAL 59 HG23 VAL 59 -8.864 -12.077 6.075 386 H CYS 60 HN CYS 60 -7.261 -9.968 5.928 387 HA CYS 60 HA CYS 60 -7.923 -9.731 3.060 388 HB2 CYS 60 HB2 CYS 60 -5.151 -9.099 3.757 389 HB3 CYS 60 HB1 CYS 60 -6.279 -8.235 2.722 390 H ARG 61 HN ARG 61 -6.517 -11.704 5.456 391 HA ARG 61 HA ARG 61 -5.802 -13.667 3.449 392 HB2 ARG 61 HB2 ARG 61 -3.802 -12.115 4.933 393 HB3 ARG 61 HB1 ARG 61 -3.563 -13.854 5.020 394 HG2 ARG 61 HG2 ARG 61 -3.934 -13.677 2.411 395 HG3 ARG 61 HG1 ARG 61 -3.384 -12.024 2.693 396 HD2 ARG 61 HD2 ARG 61 -1.932 -14.597 3.248 397 HD3 ARG 61 HD1 ARG 61 -1.447 -13.276 2.187 398 HE ARG 61 HE ARG 61 -1.074 -13.445 5.038 399 HH11 ARG 61 HH11 ARG 61 -1.261 -11.307 2.285 400 HH12 ARG 61 HH12 ARG 61 -0.352 -10.047 3.048 401 HH21 ARG 61 HH21 ARG 61 0.114 -11.792 6.042 402 HH22 ARG 61 HH22 ARG 61 0.431 -10.322 5.182 403 H ILE 62 HN ILE 62 -4.975 -15.722 4.534 404 HA ILE 62 HA ILE 62 -5.776 -16.180 7.261 405 HB ILE 62 HB ILE 62 -7.142 -18.037 5.385 406 HG12 ILE 62 HG12 ILE 62 -9.198 -16.585 5.420 407 HG13 ILE 62 HG11 ILE 62 -8.187 -15.265 5.992 408 HG21 ILE 62 HG21 ILE 62 -6.988 -17.970 8.020 409 HG22 ILE 62 HG22 ILE 62 -8.431 -18.549 7.187 410 HG23 ILE 62 HG23 ILE 62 -8.383 -16.908 7.831 411 HD11 ILE 62 HD11 ILE 62 -8.650 -16.145 3.330 412 HD12 ILE 62 HD12 ILE 62 -6.936 -16.325 3.707 413 HD13 ILE 62 HD13 ILE 62 -7.720 -14.757 3.898 414 H ALA 63 HN ALA 63 -4.369 -17.594 8.067 415 HA ALA 63 HA ALA 63 -2.285 -18.742 6.727 416 HB1 ALA 63 HB1 ALA 63 -3.269 -18.835 9.344 417 HB2 ALA 63 HB2 ALA 63 -1.698 -19.388 8.763 418 HB3 ALA 63 HB3 ALA 63 -3.051 -20.514 8.847 419 H ARG 64 HN ARG 64 -4.821 -20.866 8.015 420 HA ARG 64 HA ARG 64 -5.378 -22.073 5.492 421 HB2 ARG 64 HB2 ARG 64 -3.241 -23.201 7.166 422 HB3 ARG 64 HB1 ARG 64 -4.455 -24.370 6.672 423 HG2 ARG 64 HG2 ARG 64 -2.729 -22.666 4.895 424 HG3 ARG 64 HG1 ARG 64 -2.687 -24.418 5.083 425 HD2 ARG 64 HD2 ARG 64 -4.770 -22.722 3.745 426 HD3 ARG 64 HD1 ARG 64 -3.831 -24.050 3.068 427 HE ARG 64 HE ARG 64 -5.252 -25.242 5.035 428 HH11 ARG 64 HH11 ARG 64 -6.144 -23.186 2.360 429 HH12 ARG 64 HH12 ARG 64 -7.713 -23.894 2.176 430 HH21 ARG 64 HH21 ARG 64 -7.316 -26.175 4.794 431 HH22 ARG 64 HH22 ARG 64 -8.379 -25.591 3.558 432 H GLY 65 HN GLY 65 -7.309 -21.163 6.833 433 HA2 GLY 65 HA2 GLY 65 -9.219 -22.921 7.280 434 HA3 GLY 65 HA1 GLY 65 -8.301 -23.123 8.765 435 H ASP 66 HN ASP 66 -8.814 -21.875 10.430 436 HA ASP 66 HA ASP 66 -9.590 -19.169 10.219 437 HB2 ASP 66 HB2 ASP 66 -11.948 -19.508 11.121 438 HB3 ASP 66 HB1 ASP 66 -11.702 -19.889 9.419 439 H TRP 67 HN TRP 67 -7.936 -19.115 11.782 440 HA TRP 67 HA TRP 67 -8.775 -19.992 14.470 441 HB2 TRP 67 HB2 TRP 67 -5.981 -19.552 14.475 442 HB3 TRP 67 HB1 TRP 67 -6.824 -21.088 14.628 443 HD1 TRP 67 HD1 TRP 67 -5.381 -18.811 11.846 444 HE1 TRP 67 HE1 TRP 67 -4.672 -20.316 9.890 445 HE3 TRP 67 HE3 TRP 67 -7.017 -23.293 13.645 446 HZ2 TRP 67 HZ2 TRP 67 -4.785 -23.045 9.198 447 HZ3 TRP 67 HZ3 TRP 67 -6.680 -25.314 12.276 448 HH2 TRP 67 HH2 TRP 67 -5.585 -25.190 10.096 449 H ASN 68 HN ASN 68 -6.352 -17.816 13.105 450 HA ASN 68 HA ASN 68 -7.238 -15.723 14.967 451 HB2 ASN 68 HB2 ASN 68 -4.640 -15.669 13.449 452 HB3 ASN 68 HB1 ASN 68 -5.061 -14.837 14.942 453 HD21 ASN 68 HD21 ASN 68 -4.447 -18.014 13.550 454 HD22 ASN 68 HD22 ASN 68 -3.870 -18.741 15.007 455 H ASP 69 HN ASP 69 -6.665 -16.517 11.622 456 HA ASP 69 HA ASP 69 -7.271 -15.518 9.672 457 HB2 ASP 69 HB2 ASP 69 -9.131 -14.298 11.648 458 HB3 ASP 69 HB1 ASP 69 -9.032 -13.565 10.051 459 H ASP 70 HN ASP 70 -6.396 -13.996 8.375 460 HA ASP 70 HA ASP 70 -4.628 -12.072 9.563 461 HB2 ASP 70 HB2 ASP 70 -4.251 -13.394 7.381 462 HB3 ASP 70 HB1 ASP 70 -5.332 -12.219 6.646 463 H TYR 71 HN TYR 71 -5.024 -9.978 9.974 464 HA TYR 71 HA TYR 71 -7.320 -8.731 8.639 465 HB2 TYR 71 HB2 TYR 71 -6.851 -9.028 11.573 466 HB3 TYR 71 HB1 TYR 71 -7.752 -7.647 10.954 467 HD1 TYR 71 HD2 TYR 71 -9.731 -8.116 9.462 468 HD2 TYR 71 HD1 TYR 71 -7.912 -11.083 11.879 469 HE1 TYR 71 HE2 TYR 71 -11.774 -9.455 9.312 470 HE2 TYR 71 HE1 TYR 71 -9.935 -12.460 11.733 471 HH TYR 71 HH TYR 71 -11.889 -12.737 10.352 472 H CYS 72 HN CYS 72 -7.179 -6.641 8.175 473 HA CYS 72 HA CYS 72 -4.641 -5.385 8.132 474 HB2 CYS 72 HB2 CYS 72 -6.559 -5.039 6.506 475 HB3 CYS 72 HB1 CYS 72 -7.322 -4.049 7.745 476 H THR 73 HN THR 73 -4.241 -3.181 9.074 477 HA THR 73 HA THR 73 -5.456 -2.960 11.750 478 HB THR 73 HB THR 73 -3.381 -2.442 12.714 479 HG1 THR 73 HG1 THR 73 -2.244 -2.228 10.128 480 HG21 THR 73 HG21 THR 73 -3.630 -4.845 11.535 481 HG22 THR 73 HG22 THR 73 -2.249 -4.368 12.523 482 HG23 THR 73 HG23 THR 73 -2.153 -4.264 10.765 483 H GLY 74 HN GLY 74 -5.697 -1.556 8.940 484 HA2 GLY 74 HA2 GLY 74 -6.102 0.561 8.154 485 HA3 GLY 74 HA1 GLY 74 -6.706 0.859 9.776 486 H LYS 75 HN LYS 75 -3.367 0.017 9.307 487 HA LYS 75 HA LYS 75 -2.575 2.831 9.478 488 HB2 LYS 75 HB2 LYS 75 -1.640 0.677 11.381 489 HB3 LYS 75 HB1 LYS 75 -0.978 2.304 11.294 490 HG2 LYS 75 HG2 LYS 75 -2.829 3.259 12.257 491 HG3 LYS 75 HG1 LYS 75 -3.901 1.953 11.747 492 HD2 LYS 75 HD2 LYS 75 -3.538 1.882 14.154 493 HD3 LYS 75 HD1 LYS 75 -2.845 0.458 13.376 494 HE2 LYS 75 HE2 LYS 75 -1.429 1.572 15.158 495 HE3 LYS 75 HE1 LYS 75 -0.648 1.275 13.605 496 HZ1 LYS 75 HZ1 LYS 75 -0.980 3.566 13.005 497 HZ2 LYS 75 HZ2 LYS 75 -0.182 3.497 14.494 498 HZ3 LYS 75 HZ3 LYS 75 -1.830 3.870 14.436 499 H SER 76 HN SER 76 -2.330 0.223 7.680 500 HA SER 76 HA SER 76 0.138 0.996 6.506 501 HB2 SER 76 HB2 SER 76 0.771 -0.411 8.602 502 HB3 SER 76 HB1 SER 76 0.252 -1.786 7.628 503 HG SER 76 HG SER 76 1.869 -1.424 6.223 504 H SER 77 HN SER 77 0.794 -0.554 4.734 505 HA SER 77 HA SER 77 -1.605 -1.392 3.311 506 HB2 SER 77 HB2 SER 77 -0.303 -1.341 1.349 507 HB3 SER 77 HB1 SER 77 0.327 -0.003 2.311 508 HG SER 77 HG SER 77 1.676 -2.024 1.332 509 H ASP 78 HN ASP 78 0.007 -2.871 5.582 510 HA ASP 78 HA ASP 78 0.153 -5.453 4.175 511 HB2 ASP 78 HB2 ASP 78 1.791 -4.253 6.350 512 HB3 ASP 78 HB1 ASP 78 1.509 -5.990 6.414 513 H CYS 79 HN CYS 79 -0.827 -7.229 5.028 514 HA CYS 79 HA CYS 79 -2.699 -6.750 7.261 515 HB2 CYS 79 HB2 CYS 79 -3.487 -7.239 4.776 516 HB3 CYS 79 HB1 CYS 79 -3.162 -8.906 5.241 517 HA PRO 80 HA PRO 80 0.066 -9.951 8.965 518 HB2 PRO 80 HB2 PRO 80 -0.710 -9.629 11.542 519 HB3 PRO 80 HB1 PRO 80 0.444 -8.551 10.748 520 HG2 PRO 80 HG2 PRO 80 -2.493 -8.171 11.208 521 HG3 PRO 80 HG1 PRO 80 -1.167 -7.015 11.439 522 HD2 PRO 80 HD2 PRO 80 -2.744 -6.977 9.247 523 HD3 PRO 80 HD1 PRO 80 -1.028 -6.532 9.186 524 H TRP 81 HN TRP 81 -0.382 -12.050 8.998 525 HA TRP 81 HA TRP 81 -2.799 -13.285 8.650 526 HB2 TRP 81 HB2 TRP 81 -1.085 -14.848 10.443 527 HB3 TRP 81 HB1 TRP 81 -1.673 -15.232 8.834 528 HD1 TRP 81 HD1 TRP 81 1.248 -13.417 10.580 529 HE1 TRP 81 HE1 TRP 81 3.239 -13.367 8.947 530 HE3 TRP 81 HE3 TRP 81 -1.049 -15.361 6.476 531 HZ2 TRP 81 HZ2 TRP 81 3.756 -14.072 6.263 532 HZ3 TRP 81 HZ3 TRP 81 0.256 -15.651 4.403 533 HH2 TRP 81 HH2 TRP 81 2.613 -15.015 4.302 534 H ASN 82 HN ASN 82 -1.413 -12.140 11.607 535 HA ASN 82 HA ASN 82 -2.492 -11.558 13.570 536 HB2 ASN 82 HB2 ASN 82 -4.707 -11.826 12.339 537 HB3 ASN 82 HB1 ASN 82 -4.705 -13.499 12.892 538 HD21 ASN 82 HD21 ASN 82 -3.849 -10.418 14.430 539 HD22 ASN 82 HD22 ASN 82 -4.902 -10.608 15.785 540 H HIS 83 HN HIS 83 -0.613 -13.679 12.935 541 HA HIS 83 HA HIS 83 -1.257 -15.722 14.935 542 HB2 HIS 83 HB2 HIS 83 1.021 -15.646 12.942 543 HB3 HIS 83 HB1 HIS 83 0.572 -17.008 13.966 544 HD1 HIS 83 HD1 HIS 83 0.602 -16.807 10.726 545 HD2 HIS 83 HD2 HIS 83 -2.703 -16.829 13.241 546 HE1 HIS 83 HE1 HIS 83 -1.322 -17.575 9.303 547 HE2 HIS 83 HE2 HIS 83 -3.327 -17.500 10.823 Start of MODEL 32 1 H1 SER 1 HT1 SER 1 19.076 3.960 -12.598 2 H2 SER 1 HT2 SER 1 17.937 4.807 -11.633 3 H3 SER 1 HT3 SER 1 17.432 4.031 -13.078 4 HA SER 1 HA SER 1 18.263 1.928 -12.030 5 HB2 SER 1 HB2 SER 1 18.754 3.910 -9.963 6 HB3 SER 1 HB1 SER 1 17.728 2.605 -9.368 7 HG SER 1 HG SER 1 20.218 2.267 -10.691 8 HA PRO 2 HA PRO 2 13.888 1.284 -12.171 9 HB2 PRO 2 HB2 PRO 2 14.370 -1.059 -10.423 10 HB3 PRO 2 HB1 PRO 2 13.616 -0.978 -12.018 11 HG2 PRO 2 HG2 PRO 2 16.075 -1.977 -11.698 12 HG3 PRO 2 HG1 PRO 2 15.642 -1.022 -13.128 13 HD2 PRO 2 HD2 PRO 2 17.218 -0.222 -10.719 14 HD3 PRO 2 HD1 PRO 2 17.453 0.221 -12.422 15 HA PRO 3 HA PRO 3 12.922 1.329 -7.493 16 HB2 PRO 3 HB2 PRO 3 14.857 1.069 -5.669 17 HB3 PRO 3 HB1 PRO 3 14.194 -0.337 -6.510 18 HG2 PRO 3 HG2 PRO 3 16.746 1.139 -7.001 19 HG3 PRO 3 HG1 PRO 3 16.440 -0.606 -7.021 20 HD2 PRO 3 HD2 PRO 3 16.575 0.996 -9.267 21 HD3 PRO 3 HD1 PRO 3 15.745 -0.569 -9.191 22 H VAL 4 HN VAL 4 13.660 3.551 -9.054 23 HA VAL 4 HA VAL 4 14.641 5.433 -7.010 24 HB VAL 4 HB VAL 4 14.874 5.811 -9.990 25 HG11 VAL 4 HG11 VAL 4 15.546 7.415 -7.605 26 HG12 VAL 4 HG12 VAL 4 15.099 7.929 -9.231 27 HG13 VAL 4 HG13 VAL 4 16.746 7.395 -8.896 28 HG21 VAL 4 HG21 VAL 4 17.073 5.017 -8.090 29 HG22 VAL 4 HG22 VAL 4 17.170 5.175 -9.844 30 HG23 VAL 4 HG23 VAL 4 16.213 3.879 -9.126 31 H CYS 5 HN CYS 5 13.677 7.486 -6.898 32 HA CYS 5 HA CYS 5 10.876 7.488 -7.605 33 HB2 CYS 5 HB2 CYS 5 12.492 8.770 -5.646 34 HB3 CYS 5 HB1 CYS 5 11.762 10.039 -6.622 35 H GLY 6 HN GLY 6 10.910 7.517 -9.832 36 HA2 GLY 6 HA2 GLY 6 10.460 9.544 -11.377 37 HA3 GLY 6 HA1 GLY 6 12.183 9.815 -11.136 38 H ASN 7 HN ASN 7 10.827 6.627 -11.270 39 HA ASN 7 HA ASN 7 11.933 6.217 -13.964 40 HB2 ASN 7 HB2 ASN 7 13.250 5.269 -11.894 41 HB3 ASN 7 HB1 ASN 7 11.984 4.045 -11.882 42 HD21 ASN 7 HD21 ASN 7 11.599 2.966 -14.011 43 HD22 ASN 7 HD22 ASN 7 12.987 2.582 -14.964 44 H LYS 8 HN LYS 8 9.239 6.403 -12.223 45 HA LYS 8 HA LYS 8 7.104 5.892 -12.749 46 HB2 LYS 8 HB2 LYS 8 8.363 4.936 -15.039 47 HB3 LYS 8 HB1 LYS 8 7.499 3.534 -14.422 48 HG2 LYS 8 HG2 LYS 8 5.418 4.611 -14.588 49 HG3 LYS 8 HG1 LYS 8 6.167 6.198 -14.787 50 HD2 LYS 8 HD2 LYS 8 6.511 5.897 -16.995 51 HD3 LYS 8 HD1 LYS 8 6.930 4.194 -16.801 52 HE2 LYS 8 HE2 LYS 8 4.563 3.638 -16.552 53 HE3 LYS 8 HE1 LYS 8 4.140 5.341 -16.732 54 HZ1 LYS 8 HZ1 LYS 8 3.857 4.635 -18.858 55 HZ2 LYS 8 HZ2 LYS 8 5.031 3.423 -18.752 56 HZ3 LYS 8 HZ3 LYS 8 5.498 5.037 -18.946 57 H ILE 9 HN ILE 9 9.153 4.596 -10.955 58 HA ILE 9 HA ILE 9 7.484 2.359 -10.058 59 HB ILE 9 HB ILE 9 10.498 2.607 -9.983 60 HG12 ILE 9 HG12 ILE 9 9.663 0.085 -10.924 61 HG13 ILE 9 HG11 ILE 9 8.625 1.264 -11.719 62 HG21 ILE 9 HG21 ILE 9 10.276 0.273 -8.885 63 HG22 ILE 9 HG22 ILE 9 8.657 0.817 -8.446 64 HG23 ILE 9 HG23 ILE 9 10.071 1.714 -7.889 65 HD11 ILE 9 HD11 ILE 9 11.341 2.165 -11.773 66 HD12 ILE 9 HD12 ILE 9 10.247 1.815 -13.111 67 HD13 ILE 9 HD13 ILE 9 11.227 0.526 -12.413 68 H LEU 10 HN LEU 10 7.333 2.161 -7.805 69 HA LEU 10 HA LEU 10 7.209 4.613 -6.389 70 HB2 LEU 10 HB2 LEU 10 7.154 2.200 -4.733 71 HB3 LEU 10 HB1 LEU 10 5.974 3.483 -4.889 72 HG LEU 10 HG LEU 10 5.285 2.384 -7.085 73 HD11 LEU 10 HD11 LEU 10 7.504 0.777 -6.501 74 HD12 LEU 10 HD12 LEU 10 6.332 0.569 -7.804 75 HD13 LEU 10 HD13 LEU 10 6.086 -0.247 -6.258 76 HD21 LEU 10 HD21 LEU 10 4.291 0.377 -5.544 77 HD22 LEU 10 HD22 LEU 10 3.631 2.011 -5.624 78 HD23 LEU 10 HD23 LEU 10 4.741 1.572 -4.326 79 H GLU 11 HN GLU 11 9.763 4.552 -7.178 80 HA GLU 11 HA GLU 11 11.979 4.297 -6.584 81 HB2 GLU 11 HB2 GLU 11 11.235 6.466 -5.735 82 HB3 GLU 11 HB1 GLU 11 10.781 5.715 -4.214 83 HG2 GLU 11 HG2 GLU 11 13.276 4.948 -4.190 84 HG3 GLU 11 HG1 GLU 11 13.485 6.289 -5.313 85 H GLN 12 HN GLN 12 11.539 1.907 -6.323 86 HA GLN 12 HA GLN 12 12.168 0.004 -5.269 87 HB2 GLN 12 HB2 GLN 12 13.854 1.801 -4.184 88 HB3 GLN 12 HB1 GLN 12 13.004 1.278 -2.740 89 HG2 GLN 12 HG2 GLN 12 13.842 -0.839 -2.834 90 HG3 GLN 12 HG1 GLN 12 14.037 -0.802 -4.586 91 HE21 GLN 12 HE21 GLN 12 16.085 -1.832 -3.416 92 HE22 GLN 12 HE22 GLN 12 17.414 -0.737 -3.272 93 H GLY 13 HN GLY 13 11.351 1.783 -2.323 94 HA2 GLY 13 HA2 GLY 13 8.845 0.264 -2.138 95 HA3 GLY 13 HA1 GLY 13 10.014 0.119 -0.833 96 H GLU 14 HN GLU 14 9.589 3.099 -2.554 97 HA GLU 14 HA GLU 14 9.185 4.626 -0.251 98 HB2 GLU 14 HB2 GLU 14 9.006 5.059 -3.179 99 HB3 GLU 14 HB1 GLU 14 8.245 6.267 -2.143 100 HG2 GLU 14 HG2 GLU 14 11.114 5.365 -1.994 101 HG3 GLU 14 HG1 GLU 14 10.542 6.867 -2.715 102 H ASP 15 HN ASP 15 6.909 3.249 -2.543 103 HA ASP 15 HA ASP 15 4.776 2.482 -2.103 104 HB2 ASP 15 HB2 ASP 15 4.591 4.369 0.242 105 HB3 ASP 15 HB1 ASP 15 3.555 2.994 -0.124 106 H CYS 16 HN CYS 16 5.656 4.856 -3.662 107 HA CYS 16 HA CYS 16 3.452 5.606 -4.939 108 HB2 CYS 16 HB2 CYS 16 3.442 6.913 -2.312 109 HB3 CYS 16 HB1 CYS 16 3.165 8.004 -3.664 110 H ASP 17 HN ASP 17 4.497 6.212 -6.691 111 HA ASP 17 HA ASP 17 6.080 8.639 -6.627 112 HB2 ASP 17 HB2 ASP 17 7.748 6.902 -6.128 113 HB3 ASP 17 HB1 ASP 17 7.275 6.034 -7.585 114 H CYS 18 HN CYS 18 6.675 9.384 -8.774 115 HA CYS 18 HA CYS 18 5.011 8.287 -10.938 116 HB2 CYS 18 HB2 CYS 18 5.298 11.178 -10.110 117 HB3 CYS 18 HB1 CYS 18 4.710 10.693 -11.692 118 H GLY 19 HN GLY 19 5.910 8.482 -13.027 119 HA2 GLY 19 HA2 GLY 19 8.625 8.205 -13.328 120 HA3 GLY 19 HA1 GLY 19 7.564 8.778 -14.608 121 H SER 20 HN SER 20 6.760 11.204 -13.672 122 HA SER 20 HA SER 20 9.194 12.717 -13.075 123 HB2 SER 20 HB2 SER 20 7.580 12.862 -15.563 124 HB3 SER 20 HB1 SER 20 8.101 14.398 -14.870 125 HG SER 20 HG SER 20 9.715 13.733 -16.221 126 HA PRO 21 HA PRO 21 6.432 14.434 -9.975 127 HB2 PRO 21 HB2 PRO 21 8.326 16.714 -10.379 128 HB3 PRO 21 HB1 PRO 21 7.725 16.007 -8.875 129 HG2 PRO 21 HG2 PRO 21 10.173 15.444 -9.770 130 HG3 PRO 21 HG1 PRO 21 9.176 14.209 -8.981 131 HD2 PRO 21 HD2 PRO 21 9.888 14.517 -11.843 132 HD3 PRO 21 HD1 PRO 21 9.488 13.053 -10.925 133 H ALA 22 HN ALA 22 7.375 16.048 -12.953 134 HA ALA 22 HA ALA 22 5.288 18.038 -12.754 135 HB1 ALA 22 HB1 ALA 22 6.063 18.737 -14.986 136 HB2 ALA 22 HB2 ALA 22 7.172 17.366 -15.013 137 HB3 ALA 22 HB3 ALA 22 7.380 18.645 -13.816 138 H ASN 23 HN ASN 23 5.795 14.937 -14.252 139 HA ASN 23 HA ASN 23 3.187 15.139 -15.588 140 HB2 ASN 23 HB2 ASN 23 5.543 13.318 -16.097 141 HB3 ASN 23 HB1 ASN 23 3.971 13.102 -16.860 142 HD21 ASN 23 HD21 ASN 23 6.834 15.045 -16.687 143 HD22 ASN 23 HD22 ASN 23 6.537 15.977 -18.110 144 H CYS 24 HN CYS 24 3.924 14.485 -12.704 145 HA CYS 24 HA CYS 24 3.435 11.797 -12.164 146 HB2 CYS 24 HB2 CYS 24 4.350 13.364 -10.514 147 HB3 CYS 24 HB1 CYS 24 2.807 14.209 -10.458 148 H GLN 25 HN GLN 25 1.774 11.120 -13.503 149 HA GLN 25 HA GLN 25 -0.863 12.281 -13.254 150 HB2 GLN 25 HB2 GLN 25 -1.539 10.582 -14.881 151 HB3 GLN 25 HB1 GLN 25 -0.104 11.441 -15.422 152 HG2 GLN 25 HG2 GLN 25 1.287 9.568 -14.673 153 HG3 GLN 25 HG1 GLN 25 -0.165 8.705 -14.169 154 HE21 GLN 25 HE21 GLN 25 0.548 7.038 -15.620 155 HE22 GLN 25 HE22 GLN 25 0.214 7.167 -17.311 156 H ASP 26 HN ASP 26 -0.087 11.477 -10.771 157 HA ASP 26 HA ASP 26 -2.009 9.353 -10.224 158 HB2 ASP 26 HB2 ASP 26 0.772 9.344 -9.031 159 HB3 ASP 26 HB1 ASP 26 -0.501 8.162 -8.743 160 H ARG 27 HN ARG 27 -3.405 10.767 -9.261 161 HA ARG 27 HA ARG 27 -2.678 12.829 -7.493 162 HB2 ARG 27 HB2 ARG 27 -4.837 12.748 -8.658 163 HB3 ARG 27 HB1 ARG 27 -5.302 11.344 -7.707 164 HG2 ARG 27 HG2 ARG 27 -5.622 12.574 -5.792 165 HG3 ARG 27 HG1 ARG 27 -4.531 13.861 -6.309 166 HD2 ARG 27 HD2 ARG 27 -6.248 14.343 -8.135 167 HD3 ARG 27 HD1 ARG 27 -7.343 13.312 -7.215 168 HE ARG 27 HE ARG 27 -6.166 15.338 -5.590 169 HH11 ARG 27 HH11 ARG 27 -8.684 14.741 -7.932 170 HH12 ARG 27 HH12 ARG 27 -9.687 16.036 -7.368 171 HH21 ARG 27 HH21 ARG 27 -7.484 17.040 -4.848 172 HH22 ARG 27 HH22 ARG 27 -9.006 17.341 -5.618 173 H CYS 28 HN CYS 28 -3.008 9.430 -7.027 174 HA CYS 28 HA CYS 28 -3.213 9.690 -4.133 175 HB2 CYS 28 HB2 CYS 28 -3.154 7.254 -5.924 176 HB3 CYS 28 HB1 CYS 28 -3.314 7.198 -4.172 177 H CYS 29 HN CYS 29 -0.797 9.360 -6.529 178 HA CYS 29 HA CYS 29 1.189 8.811 -4.432 179 HB2 CYS 29 HB2 CYS 29 1.012 7.580 -7.176 180 HB3 CYS 29 HB1 CYS 29 2.520 7.623 -6.271 181 H ASN 30 HN ASN 30 2.612 10.405 -4.257 182 HA ASN 30 HA ASN 30 3.087 12.095 -6.626 183 HB2 ASN 30 HB2 ASN 30 2.010 13.317 -4.812 184 HB3 ASN 30 HB1 ASN 30 3.279 12.825 -3.699 185 HD21 ASN 30 HD21 ASN 30 4.637 14.396 -3.287 186 HD22 ASN 30 HD22 ASN 30 5.166 15.610 -4.393 187 H ALA 31 HN ALA 31 5.063 12.250 -7.428 188 HA ALA 31 HA ALA 31 7.162 10.577 -6.447 189 HB1 ALA 31 HB1 ALA 31 6.633 11.289 -8.878 190 HB2 ALA 31 HB2 ALA 31 8.317 11.133 -8.386 191 HB3 ALA 31 HB3 ALA 31 7.573 12.727 -8.490 192 H ALA 32 HN ALA 32 6.603 14.062 -6.569 193 HA ALA 32 HA ALA 32 9.030 14.987 -5.613 194 HB1 ALA 32 HB1 ALA 32 6.905 16.548 -4.492 195 HB2 ALA 32 HB2 ALA 32 6.496 16.069 -6.139 196 HB3 ALA 32 HB3 ALA 32 7.997 16.938 -5.821 197 H THR 33 HN THR 33 6.654 13.163 -3.936 198 HA THR 33 HA THR 33 7.956 13.799 -1.370 199 HB THR 33 HB THR 33 5.518 14.404 -1.541 200 HG1 THR 33 HG1 THR 33 5.007 13.413 0.457 201 HG21 THR 33 HG21 THR 33 4.939 11.471 -1.372 202 HG22 THR 33 HG22 THR 33 4.954 12.323 -2.915 203 HG23 THR 33 HG23 THR 33 3.828 12.813 -1.651 204 H CYS 34 HN CYS 34 7.094 11.378 -3.669 205 HA CYS 34 HA CYS 34 7.575 9.169 -3.833 206 HB2 CYS 34 HB2 CYS 34 9.472 9.833 -1.571 207 HB3 CYS 34 HB1 CYS 34 9.447 8.300 -2.427 208 H LYS 35 HN LYS 35 5.309 9.871 -2.492 209 HA LYS 35 HA LYS 35 4.714 7.524 -1.050 210 HB2 LYS 35 HB2 LYS 35 5.469 8.062 0.989 211 HB3 LYS 35 HB1 LYS 35 5.835 9.703 0.490 212 HG2 LYS 35 HG2 LYS 35 4.359 10.111 2.169 213 HG3 LYS 35 HG1 LYS 35 3.236 10.028 0.815 214 HD2 LYS 35 HD2 LYS 35 2.135 8.494 2.013 215 HD3 LYS 35 HD1 LYS 35 3.460 7.397 1.621 216 HE2 LYS 35 HE2 LYS 35 4.578 8.574 3.706 217 HE3 LYS 35 HE1 LYS 35 2.896 8.884 4.136 218 HZ1 LYS 35 HZ1 LYS 35 2.747 6.316 3.531 219 HZ2 LYS 35 HZ2 LYS 35 3.117 6.865 5.087 220 HZ3 LYS 35 HZ3 LYS 35 4.357 6.368 4.050 221 H LEU 36 HN LEU 36 2.488 7.608 -0.102 222 HA LEU 36 HA LEU 36 0.636 8.537 -1.940 223 HB2 LEU 36 HB2 LEU 36 0.050 8.073 0.976 224 HB3 LEU 36 HB1 LEU 36 -1.056 7.909 -0.374 225 HG LEU 36 HG LEU 36 1.200 6.157 -0.740 226 HD11 LEU 36 HD11 LEU 36 1.515 6.058 1.595 227 HD12 LEU 36 HD12 LEU 36 0.585 4.621 1.168 228 HD13 LEU 36 HD13 LEU 36 -0.221 6.007 1.903 229 HD21 LEU 36 HD21 LEU 36 -1.768 5.988 -0.611 230 HD22 LEU 36 HD22 LEU 36 -0.831 4.498 -0.501 231 HD23 LEU 36 HD23 LEU 36 -0.666 5.541 -1.913 232 H THR 37 HN THR 37 -0.383 10.407 -2.285 233 HA THR 37 HA THR 37 0.451 12.758 -0.905 234 HB THR 37 HB THR 37 -0.841 13.964 -2.465 235 HG1 THR 37 HG1 THR 37 -2.344 11.588 -2.816 236 HG21 THR 37 HG21 THR 37 -0.464 11.567 -4.173 237 HG22 THR 37 HG22 THR 37 0.954 12.317 -3.441 238 HG23 THR 37 HG23 THR 37 -0.096 13.261 -4.498 239 HA PRO 38 HA PRO 38 -2.446 13.418 2.333 240 HB2 PRO 38 HB2 PRO 38 -3.418 15.855 0.918 241 HB3 PRO 38 HB1 PRO 38 -2.836 15.673 2.577 242 HG2 PRO 38 HG2 PRO 38 -1.300 16.801 0.720 243 HG3 PRO 38 HG1 PRO 38 -0.606 15.717 1.940 244 HD2 PRO 38 HD2 PRO 38 -1.191 15.203 -0.941 245 HD3 PRO 38 HD1 PRO 38 0.149 14.612 0.063 246 H GLY 39 HN GLY 39 -4.181 12.146 2.501 247 HA2 GLY 39 HA2 GLY 39 -6.620 12.104 2.277 248 HA3 GLY 39 HA1 GLY 39 -6.401 12.572 0.598 249 H SER 40 HN SER 40 -4.151 10.740 0.200 250 HA SER 40 HA SER 40 -5.700 8.245 0.032 251 HB2 SER 40 HB2 SER 40 -3.230 8.724 -1.594 252 HB3 SER 40 HB1 SER 40 -4.651 7.754 -1.978 253 HG SER 40 HG SER 40 -5.388 9.429 -2.985 254 H GLN 41 HN GLN 41 -4.964 6.420 0.956 255 HA GLN 41 HA GLN 41 -2.347 6.554 2.302 256 HB2 GLN 41 HB2 GLN 41 -4.979 5.415 3.120 257 HB3 GLN 41 HB1 GLN 41 -3.518 4.618 3.686 258 HG2 GLN 41 HG2 GLN 41 -4.295 7.488 4.143 259 HG3 GLN 41 HG1 GLN 41 -4.287 6.190 5.335 260 HE21 GLN 41 HE21 GLN 41 -1.970 4.967 5.061 261 HE22 GLN 41 HE22 GLN 41 -0.640 6.043 5.301 262 H CYS 42 HN CYS 42 -4.376 4.741 0.147 263 HA CYS 42 HA CYS 42 -2.300 2.654 -0.040 264 HB2 CYS 42 HB2 CYS 42 -3.868 1.059 -0.249 265 HB3 CYS 42 HB1 CYS 42 -4.888 2.230 0.571 266 H ASN 43 HN ASN 43 -2.611 1.517 -2.288 267 HA ASN 43 HA ASN 43 -3.322 2.921 -4.575 268 HB2 ASN 43 HB2 ASN 43 -1.580 4.514 -4.057 269 HB3 ASN 43 HB1 ASN 43 -0.407 3.221 -3.816 270 HD21 ASN 43 HD21 ASN 43 0.924 2.917 -5.438 271 HD22 ASN 43 HD22 ASN 43 0.607 3.257 -7.102 272 H TYR 44 HN TYR 44 -1.194 0.650 -3.014 273 HA TYR 44 HA TYR 44 -1.902 -1.404 -4.890 274 HB2 TYR 44 HB2 TYR 44 0.058 -1.686 -5.999 275 HB3 TYR 44 HB1 TYR 44 0.316 0.006 -5.594 276 HD1 TYR 44 HD1 TYR 44 0.995 -3.439 -4.368 277 HD2 TYR 44 HD2 TYR 44 2.207 0.637 -4.377 278 HE1 TYR 44 HE1 TYR 44 3.046 -4.057 -3.175 279 HE2 TYR 44 HE2 TYR 44 4.270 0.034 -3.184 280 HH TYR 44 HH TYR 44 5.104 -1.757 -1.737 281 H GLY 45 HN GLY 45 -2.023 -3.321 -3.842 282 HA2 GLY 45 HA2 GLY 45 -0.742 -4.776 -2.200 283 HA3 GLY 45 HA1 GLY 45 -0.906 -3.408 -1.113 284 H GLU 46 HN GLU 46 -1.795 -5.881 -0.373 285 HA GLU 46 HA GLU 46 -4.439 -6.533 -0.947 286 HB2 GLU 46 HB2 GLU 46 -2.514 -7.132 1.212 287 HB3 GLU 46 HB1 GLU 46 -4.209 -7.385 1.605 288 HG2 GLU 46 HG2 GLU 46 -3.078 -9.409 0.766 289 HG3 GLU 46 HG1 GLU 46 -4.467 -8.927 -0.207 290 H CYS 47 HN CYS 47 -3.169 -4.471 1.664 291 HA CYS 47 HA CYS 47 -5.718 -3.965 2.806 292 HB2 CYS 47 HB2 CYS 47 -2.969 -2.895 3.167 293 HB3 CYS 47 HB1 CYS 47 -4.301 -1.909 3.755 294 H CYS 48 HN CYS 48 -4.153 -2.655 0.046 295 HA CYS 48 HA CYS 48 -5.274 -0.074 0.095 296 HB2 CYS 48 HB2 CYS 48 -3.371 -0.545 -1.309 297 HB3 CYS 48 HB1 CYS 48 -4.277 -1.764 -2.199 298 H ASP 49 HN ASP 49 -7.202 0.671 -0.372 299 HA ASP 49 HA ASP 49 -8.969 -0.650 -2.221 300 HB2 ASP 49 HB2 ASP 49 -9.486 -1.871 -0.158 301 HB3 ASP 49 HB1 ASP 49 -9.760 -0.351 0.688 302 H GLN 50 HN GLN 50 -9.470 1.029 -3.466 303 HA GLN 50 HA GLN 50 -10.238 3.055 -4.155 304 HB2 GLN 50 HB2 GLN 50 -11.473 2.762 -1.468 305 HB3 GLN 50 HB1 GLN 50 -11.482 4.370 -2.178 306 HG2 GLN 50 HG2 GLN 50 -13.444 3.623 -3.006 307 HG3 GLN 50 HG1 GLN 50 -12.382 3.017 -4.276 308 HE21 GLN 50 HE21 GLN 50 -12.053 0.838 -4.485 309 HE22 GLN 50 HE22 GLN 50 -12.961 -0.345 -3.612 310 H CYS 51 HN CYS 51 -7.593 2.933 -3.453 311 HA CYS 51 HA CYS 51 -5.777 4.218 -2.987 312 HB2 CYS 51 HB2 CYS 51 -7.892 6.207 -3.605 313 HB3 CYS 51 HB1 CYS 51 -6.425 6.807 -2.837 314 H ARG 52 HN ARG 52 -7.651 3.275 -0.798 315 HA ARG 52 HA ARG 52 -6.375 4.801 1.342 316 HB2 ARG 52 HB2 ARG 52 -8.671 5.737 0.972 317 HB3 ARG 52 HB1 ARG 52 -9.328 4.154 1.365 318 HG2 ARG 52 HG2 ARG 52 -8.871 4.359 3.587 319 HG3 ARG 52 HG1 ARG 52 -7.483 5.415 3.317 320 HD2 ARG 52 HD2 ARG 52 -9.384 7.038 2.419 321 HD3 ARG 52 HD1 ARG 52 -10.370 6.076 3.519 322 HE ARG 52 HE ARG 52 -8.030 6.903 4.843 323 HH11 ARG 52 HH11 ARG 52 -11.023 8.200 3.603 324 HH12 ARG 52 HH12 ARG 52 -11.083 9.494 4.752 325 HH21 ARG 52 HH21 ARG 52 -8.107 8.605 6.354 326 HH22 ARG 52 HH22 ARG 52 -9.427 9.725 6.313 327 H PHE 53 HN PHE 53 -5.562 3.493 2.872 328 HA PHE 53 HA PHE 53 -5.556 0.719 2.594 329 HB2 PHE 53 HB2 PHE 53 -4.857 2.510 4.910 330 HB3 PHE 53 HB1 PHE 53 -4.734 0.758 5.035 331 HD1 PHE 53 HD2 PHE 53 -3.826 0.279 2.166 332 HD2 PHE 53 HD1 PHE 53 -2.567 3.032 5.156 333 HE1 PHE 53 HE2 PHE 53 -1.606 0.364 1.141 334 HE2 PHE 53 HE1 PHE 53 -0.331 3.122 4.131 335 HZ PHE 53 HZ PHE 53 0.155 1.786 2.119 336 H LYS 54 HN LYS 54 -6.637 -0.943 3.540 337 HA LYS 54 HA LYS 54 -9.320 -0.452 4.344 338 HB2 LYS 54 HB2 LYS 54 -7.626 -2.771 3.812 339 HB3 LYS 54 HB1 LYS 54 -8.734 -3.043 5.149 340 HG2 LYS 54 HG2 LYS 54 -10.575 -2.974 3.825 341 HG3 LYS 54 HG1 LYS 54 -9.850 -1.836 2.687 342 HD2 LYS 54 HD2 LYS 54 -8.963 -4.703 2.928 343 HD3 LYS 54 HD1 LYS 54 -10.233 -4.181 1.820 344 HE2 LYS 54 HE2 LYS 54 -8.245 -2.399 1.269 345 HE3 LYS 54 HE1 LYS 54 -7.326 -3.852 1.657 346 HZ1 LYS 54 HZ1 LYS 54 -8.211 -3.384 -0.759 347 HZ2 LYS 54 HZ2 LYS 54 -9.605 -4.128 -0.154 348 HZ3 LYS 54 HZ3 LYS 54 -8.130 -4.957 -0.140 349 H LYS 55 HN LYS 55 -9.783 0.477 6.226 350 HA LYS 55 HA LYS 55 -8.350 0.987 8.404 351 HB2 LYS 55 HB2 LYS 55 -10.723 1.619 8.104 352 HB3 LYS 55 HB1 LYS 55 -11.197 -0.017 8.538 353 HG2 LYS 55 HG2 LYS 55 -11.484 1.390 10.444 354 HG3 LYS 55 HG1 LYS 55 -10.119 0.315 10.748 355 HD2 LYS 55 HD2 LYS 55 -8.552 2.033 10.423 356 HD3 LYS 55 HD1 LYS 55 -9.736 3.078 9.636 357 HE2 LYS 55 HE2 LYS 55 -10.954 2.871 11.965 358 HE3 LYS 55 HE1 LYS 55 -9.324 2.505 12.528 359 HZ1 LYS 55 HZ1 LYS 55 -10.299 4.980 11.235 360 HZ2 LYS 55 HZ2 LYS 55 -8.651 4.614 11.327 361 HZ3 LYS 55 HZ3 LYS 55 -9.553 4.807 12.744 362 H ALA 56 HN ALA 56 -7.320 -0.026 9.993 363 HA ALA 56 HA ALA 56 -6.663 -2.644 10.061 364 HB1 ALA 56 HB1 ALA 56 -5.447 -1.430 11.571 365 HB2 ALA 56 HB2 ALA 56 -6.541 -2.282 12.662 366 HB3 ALA 56 HB3 ALA 56 -6.865 -0.605 12.218 367 H GLY 57 HN GLY 57 -7.621 -4.516 10.488 368 HA2 GLY 57 HA2 GLY 57 -9.127 -5.773 11.997 369 HA3 GLY 57 HA1 GLY 57 -10.249 -4.425 11.855 370 H THR 58 HN THR 58 -9.158 -4.448 8.888 371 HA THR 58 HA THR 58 -11.364 -6.011 7.872 372 HB THR 58 HB THR 58 -9.186 -4.487 6.417 373 HG1 THR 58 HG1 THR 58 -11.869 -3.747 6.967 374 HG21 THR 58 HG21 THR 58 -11.768 -4.866 5.110 375 HG22 THR 58 HG22 THR 58 -10.815 -6.338 5.298 376 HG23 THR 58 HG23 THR 58 -10.132 -4.944 4.456 377 H VAL 59 HN VAL 59 -11.084 -8.175 7.916 378 HA VAL 59 HA VAL 59 -8.615 -9.491 7.827 379 HB VAL 59 HB VAL 59 -10.620 -10.573 8.720 380 HG11 VAL 59 HG11 VAL 59 -12.071 -9.592 6.819 381 HG12 VAL 59 HG12 VAL 59 -12.476 -11.180 7.470 382 HG13 VAL 59 HG13 VAL 59 -11.612 -11.049 5.938 383 HG21 VAL 59 HG21 VAL 59 -8.795 -12.001 8.023 384 HG22 VAL 59 HG22 VAL 59 -9.414 -12.031 6.372 385 HG23 VAL 59 HG23 VAL 59 -10.335 -12.786 7.673 386 H CYS 60 HN CYS 60 -7.272 -9.944 6.224 387 HA CYS 60 HA CYS 60 -8.319 -9.867 3.462 388 HB2 CYS 60 HB2 CYS 60 -5.441 -9.410 3.689 389 HB3 CYS 60 HB1 CYS 60 -6.653 -8.520 2.779 390 H ARG 61 HN ARG 61 -6.693 -11.712 5.826 391 HA ARG 61 HA ARG 61 -6.411 -13.908 3.956 392 HB2 ARG 61 HB2 ARG 61 -4.141 -12.335 4.870 393 HB3 ARG 61 HB1 ARG 61 -3.971 -14.035 5.283 394 HG2 ARG 61 HG2 ARG 61 -3.678 -14.662 3.146 395 HG3 ARG 61 HG1 ARG 61 -4.850 -13.494 2.531 396 HD2 ARG 61 HD2 ARG 61 -2.418 -13.137 1.878 397 HD3 ARG 61 HD1 ARG 61 -3.279 -11.749 2.540 398 HE ARG 61 HE ARG 61 -1.988 -13.080 4.639 399 HH11 ARG 61 HH11 ARG 61 -1.202 -11.203 1.805 400 HH12 ARG 61 HH12 ARG 61 0.275 -10.590 2.468 401 HH21 ARG 61 HH21 ARG 61 -0.049 -12.277 5.513 402 HH22 ARG 61 HH22 ARG 61 0.932 -11.201 4.574 403 H ILE 62 HN ILE 62 -5.849 -15.943 5.023 404 HA ILE 62 HA ILE 62 -6.036 -16.105 7.898 405 HB ILE 62 HB ILE 62 -8.111 -17.675 6.405 406 HG12 ILE 62 HG12 ILE 62 -9.775 -15.925 7.222 407 HG13 ILE 62 HG11 ILE 62 -8.397 -14.856 7.448 408 HG21 ILE 62 HG21 ILE 62 -8.527 -16.707 9.157 409 HG22 ILE 62 HG22 ILE 62 -7.213 -17.861 8.928 410 HG23 ILE 62 HG23 ILE 62 -8.855 -18.286 8.443 411 HD11 ILE 62 HD11 ILE 62 -8.167 -15.880 4.855 412 HD12 ILE 62 HD12 ILE 62 -8.606 -14.242 5.340 413 HD13 ILE 62 HD13 ILE 62 -9.864 -15.450 5.071 414 H ALA 63 HN ALA 63 -4.668 -17.653 8.476 415 HA ALA 63 HA ALA 63 -3.187 -19.225 6.806 416 HB1 ALA 63 HB1 ALA 63 -3.529 -20.712 9.198 417 HB2 ALA 63 HB2 ALA 63 -3.535 -18.995 9.603 418 HB3 ALA 63 HB3 ALA 63 -2.176 -19.687 8.717 419 H ARG 64 HN ARG 64 -5.739 -20.643 8.841 420 HA ARG 64 HA ARG 64 -7.148 -21.920 6.805 421 HB2 ARG 64 HB2 ARG 64 -4.712 -23.082 6.917 422 HB3 ARG 64 HB1 ARG 64 -5.567 -24.065 8.096 423 HG2 ARG 64 HG2 ARG 64 -5.769 -25.177 6.031 424 HG3 ARG 64 HG1 ARG 64 -7.336 -24.427 6.339 425 HD2 ARG 64 HD2 ARG 64 -6.537 -22.490 4.920 426 HD3 ARG 64 HD1 ARG 64 -5.179 -23.511 4.452 427 HE ARG 64 HE ARG 64 -6.579 -24.662 3.063 428 HH11 ARG 64 HH11 ARG 64 -8.511 -22.878 5.357 429 HH12 ARG 64 HH12 ARG 64 -10.011 -23.263 4.583 430 HH21 ARG 64 HH21 ARG 64 -8.551 -25.170 2.044 431 HH22 ARG 64 HH22 ARG 64 -10.034 -24.565 2.702 432 H GLY 65 HN GLY 65 -8.467 -20.872 8.590 433 HA2 GLY 65 HA2 GLY 65 -10.174 -22.447 9.828 434 HA3 GLY 65 HA1 GLY 65 -8.812 -22.595 10.928 435 H ASP 66 HN ASP 66 -8.741 -21.226 12.565 436 HA ASP 66 HA ASP 66 -9.403 -18.481 12.360 437 HB2 ASP 66 HB2 ASP 66 -11.650 -20.000 12.590 438 HB3 ASP 66 HB1 ASP 66 -11.284 -19.690 14.284 439 H TRP 67 HN TRP 67 -7.308 -18.467 13.264 440 HA TRP 67 HA TRP 67 -7.235 -19.062 16.151 441 HB2 TRP 67 HB2 TRP 67 -4.586 -18.889 15.202 442 HB3 TRP 67 HB1 TRP 67 -5.432 -20.333 15.740 443 HD1 TRP 67 HD1 TRP 67 -5.013 -18.316 12.444 444 HE1 TRP 67 HE1 TRP 67 -5.015 -19.991 10.499 445 HE3 TRP 67 HE3 TRP 67 -5.835 -22.602 15.079 446 HZ2 TRP 67 HZ2 TRP 67 -5.325 -22.767 10.126 447 HZ3 TRP 67 HZ3 TRP 67 -5.972 -24.737 13.856 448 HH2 TRP 67 HH2 TRP 67 -5.720 -24.815 11.428 449 H ASN 68 HN ASN 68 -5.287 -17.223 13.851 450 HA ASN 68 HA ASN 68 -5.479 -14.883 15.630 451 HB2 ASN 68 HB2 ASN 68 -3.308 -15.184 13.582 452 HB3 ASN 68 HB1 ASN 68 -3.299 -14.263 15.082 453 HD21 ASN 68 HD21 ASN 68 -3.296 -17.537 13.778 454 HD22 ASN 68 HD22 ASN 68 -2.436 -18.254 15.093 455 H ASP 69 HN ASP 69 -5.622 -16.059 12.333 456 HA ASP 69 HA ASP 69 -6.538 -15.218 10.434 457 HB2 ASP 69 HB2 ASP 69 -7.980 -13.741 12.580 458 HB3 ASP 69 HB1 ASP 69 -8.155 -13.166 10.925 459 H ASP 70 HN ASP 70 -6.184 -13.648 8.865 460 HA ASP 70 HA ASP 70 -4.070 -11.769 9.515 461 HB2 ASP 70 HB2 ASP 70 -4.151 -13.321 7.435 462 HB3 ASP 70 HB1 ASP 70 -5.274 -12.135 6.790 463 H TYR 71 HN TYR 71 -4.346 -9.624 9.755 464 HA TYR 71 HA TYR 71 -6.839 -8.452 8.748 465 HB2 TYR 71 HB2 TYR 71 -5.864 -8.522 11.564 466 HB3 TYR 71 HB1 TYR 71 -6.810 -7.143 11.004 467 HD1 TYR 71 HD1 TYR 71 -9.032 -7.607 9.927 468 HD2 TYR 71 HD2 TYR 71 -6.928 -10.503 12.191 469 HE1 TYR 71 HE1 TYR 71 -11.119 -8.852 10.222 470 HE2 TYR 71 HE2 TYR 71 -8.994 -11.786 12.496 471 HH TYR 71 HH TYR 71 -11.865 -11.100 10.738 472 H CYS 72 HN CYS 72 -6.798 -6.409 8.103 473 HA CYS 72 HA CYS 72 -4.389 -5.197 7.340 474 HB2 CYS 72 HB2 CYS 72 -7.255 -4.511 7.329 475 HB3 CYS 72 HB1 CYS 72 -6.173 -3.123 7.382 476 H THR 73 HN THR 73 -3.629 -3.033 8.048 477 HA THR 73 HA THR 73 -4.007 -2.658 10.946 478 HB THR 73 HB THR 73 -1.701 -2.117 11.197 479 HG1 THR 73 HG1 THR 73 -1.576 -2.212 8.368 480 HG21 THR 73 HG21 THR 73 -2.470 -4.629 10.347 481 HG22 THR 73 HG22 THR 73 -0.944 -4.198 11.121 482 HG23 THR 73 HG23 THR 73 -1.057 -4.253 9.361 483 H GLY 74 HN GLY 74 -4.670 -1.311 8.039 484 HA2 GLY 74 HA2 GLY 74 -5.221 0.801 7.341 485 HA3 GLY 74 HA1 GLY 74 -5.467 1.158 9.043 486 H LYS 75 HN LYS 75 -2.319 0.133 8.080 487 HA LYS 75 HA LYS 75 -1.385 2.909 7.928 488 HB2 LYS 75 HB2 LYS 75 0.059 0.846 9.579 489 HB3 LYS 75 HB1 LYS 75 0.329 2.583 9.532 490 HG2 LYS 75 HG2 LYS 75 -2.290 2.409 10.322 491 HG3 LYS 75 HG1 LYS 75 -1.548 1.019 11.117 492 HD2 LYS 75 HD2 LYS 75 0.307 2.783 11.730 493 HD3 LYS 75 HD1 LYS 75 -1.011 3.928 11.472 494 HE2 LYS 75 HE2 LYS 75 -0.787 3.205 13.831 495 HE3 LYS 75 HE1 LYS 75 -2.360 2.828 13.131 496 HZ1 LYS 75 HZ1 LYS 75 -0.902 1.070 14.479 497 HZ2 LYS 75 HZ2 LYS 75 -0.338 0.753 12.917 498 HZ3 LYS 75 HZ3 LYS 75 -1.989 0.625 13.260 499 H SER 76 HN SER 76 -1.626 0.231 6.253 500 HA SER 76 HA SER 76 0.522 0.804 4.523 501 HB2 SER 76 HB2 SER 76 1.681 -0.372 6.496 502 HB3 SER 76 HB1 SER 76 0.884 -1.838 5.926 503 HG SER 76 HG SER 76 2.953 -0.370 4.783 504 H SER 77 HN SER 77 0.758 -0.949 2.816 505 HA SER 77 HA SER 77 -1.914 -1.829 2.073 506 HB2 SER 77 HB2 SER 77 -1.190 -1.781 -0.101 507 HB3 SER 77 HB1 SER 77 -0.016 -0.665 0.592 508 HG SER 77 HG SER 77 1.511 -2.228 0.555 509 H ASP 78 HN ASP 78 0.128 -3.155 4.072 510 HA ASP 78 HA ASP 78 0.022 -5.852 2.909 511 HB2 ASP 78 HB2 ASP 78 1.874 -4.524 4.842 512 HB3 ASP 78 HB1 ASP 78 1.639 -6.265 4.957 513 H CYS 79 HN CYS 79 -0.673 -7.602 4.176 514 HA CYS 79 HA CYS 79 -2.275 -6.894 6.548 515 HB2 CYS 79 HB2 CYS 79 -3.489 -7.450 4.268 516 HB3 CYS 79 HB1 CYS 79 -3.137 -9.112 4.731 517 HA PRO 80 HA PRO 80 0.545 -10.170 7.978 518 HB2 PRO 80 HB2 PRO 80 0.345 -9.608 10.605 519 HB3 PRO 80 HB1 PRO 80 1.329 -8.630 9.508 520 HG2 PRO 80 HG2 PRO 80 -1.436 -8.111 10.541 521 HG3 PRO 80 HG1 PRO 80 -0.066 -6.993 10.406 522 HD2 PRO 80 HD2 PRO 80 -2.080 -7.078 8.587 523 HD3 PRO 80 HD1 PRO 80 -0.417 -6.634 8.161 524 H TRP 81 HN TRP 81 -0.033 -12.221 8.268 525 HA TRP 81 HA TRP 81 -2.630 -13.163 8.617 526 HB2 TRP 81 HB2 TRP 81 -0.654 -14.981 9.762 527 HB3 TRP 81 HB1 TRP 81 -1.731 -15.213 8.395 528 HD1 TRP 81 HD1 TRP 81 1.793 -13.915 9.235 529 HE1 TRP 81 HE1 TRP 81 3.202 -13.990 7.080 530 HE3 TRP 81 HE3 TRP 81 -1.873 -15.180 5.945 531 HZ2 TRP 81 HZ2 TRP 81 2.797 -14.528 4.337 532 HZ3 TRP 81 HZ3 TRP 81 -1.296 -15.467 3.566 533 HH2 TRP 81 HH2 TRP 81 0.996 -15.142 2.778 534 H ASN 82 HN ASN 82 -0.360 -12.073 10.946 535 HA ASN 82 HA ASN 82 -0.621 -11.564 13.166 536 HB2 ASN 82 HB2 ASN 82 -3.292 -12.977 12.937 537 HB3 ASN 82 HB1 ASN 82 -2.712 -12.135 14.368 538 HD21 ASN 82 HD21 ASN 82 -4.976 -11.221 13.656 539 HD22 ASN 82 HD22 ASN 82 -4.884 -9.747 12.760 540 H HIS 83 HN HIS 83 0.580 -13.929 11.966 541 HA HIS 83 HA HIS 83 0.252 -15.929 14.088 542 HB2 HIS 83 HB2 HIS 83 1.704 -16.192 11.444 543 HB3 HIS 83 HB1 HIS 83 1.335 -17.491 12.577 544 HD1 HIS 83 HD1 HIS 83 0.360 -17.372 9.568 545 HD2 HIS 83 HD2 HIS 83 -1.890 -16.352 12.907 546 HE1 HIS 83 HE1 HIS 83 -2.041 -17.579 8.853 547 HE2 HIS 83 HE2 HIS 83 -3.383 -17.062 10.919 Start of MODEL 33 1 H1 SER 1 HT1 SER 1 19.470 2.732 -11.881 2 H2 SER 1 HT2 SER 1 19.767 1.591 -13.128 3 H3 SER 1 HT3 SER 1 20.976 1.916 -11.953 4 HA SER 1 HA SER 1 19.784 -0.180 -11.637 5 HB2 SER 1 HB2 SER 1 19.544 0.187 -9.216 6 HB3 SER 1 HB1 SER 1 20.977 1.008 -9.833 7 HG SER 1 HG SER 1 20.111 2.879 -9.369 8 HA PRO 2 HA PRO 2 15.426 -0.574 -12.063 9 HB2 PRO 2 HB2 PRO 2 15.438 -1.836 -9.359 10 HB3 PRO 2 HB1 PRO 2 14.735 -2.419 -10.871 11 HG2 PRO 2 HG2 PRO 2 17.016 -3.441 -9.946 12 HG3 PRO 2 HG1 PRO 2 16.768 -3.177 -11.682 13 HD2 PRO 2 HD2 PRO 2 18.423 -1.633 -9.748 14 HD3 PRO 2 HD1 PRO 2 18.690 -1.936 -11.476 15 HA PRO 3 HA PRO 3 13.953 1.733 -8.091 16 HB2 PRO 3 HB2 PRO 3 16.317 2.500 -6.586 17 HB3 PRO 3 HB1 PRO 3 14.932 1.542 -6.059 18 HG2 PRO 3 HG2 PRO 3 17.419 0.497 -6.392 19 HG3 PRO 3 HG1 PRO 3 15.932 -0.445 -6.604 20 HD2 PRO 3 HD2 PRO 3 17.692 0.812 -8.677 21 HD3 PRO 3 HD1 PRO 3 16.909 -0.782 -8.681 22 H VAL 4 HN VAL 4 13.582 3.287 -9.731 23 HA VAL 4 HA VAL 4 15.466 5.556 -9.679 24 HB VAL 4 HB VAL 4 14.194 6.022 -11.984 25 HG11 VAL 4 HG11 VAL 4 16.598 4.273 -11.519 26 HG12 VAL 4 HG12 VAL 4 16.561 6.009 -11.831 27 HG13 VAL 4 HG13 VAL 4 16.128 4.874 -13.110 28 HG21 VAL 4 HG21 VAL 4 14.440 3.031 -12.048 29 HG22 VAL 4 HG22 VAL 4 13.652 4.101 -13.208 30 HG23 VAL 4 HG23 VAL 4 12.924 3.827 -11.624 31 H CYS 5 HN CYS 5 14.666 7.213 -8.609 32 HA CYS 5 HA CYS 5 11.816 7.514 -8.217 33 HB2 CYS 5 HB2 CYS 5 14.210 8.459 -6.933 34 HB3 CYS 5 HB1 CYS 5 13.221 9.848 -7.365 35 H GLY 6 HN GLY 6 10.705 8.229 -9.931 36 HA2 GLY 6 HA2 GLY 6 10.038 10.222 -11.160 37 HA3 GLY 6 HA1 GLY 6 11.749 10.600 -11.340 38 H ASN 7 HN ASN 7 10.555 7.370 -11.645 39 HA ASN 7 HA ASN 7 10.911 7.467 -14.564 40 HB2 ASN 7 HB2 ASN 7 12.107 5.666 -12.514 41 HB3 ASN 7 HB1 ASN 7 11.583 4.917 -14.021 42 HD21 ASN 7 HD21 ASN 7 13.125 4.746 -15.462 43 HD22 ASN 7 HD22 ASN 7 14.450 5.832 -15.681 44 H LYS 8 HN LYS 8 8.753 7.184 -12.195 45 HA LYS 8 HA LYS 8 6.591 6.532 -12.176 46 HB2 LYS 8 HB2 LYS 8 7.055 6.563 -14.837 47 HB3 LYS 8 HB1 LYS 8 6.728 4.850 -14.609 48 HG2 LYS 8 HG2 LYS 8 4.543 5.202 -14.021 49 HG3 LYS 8 HG1 LYS 8 4.851 6.836 -13.430 50 HD2 LYS 8 HD2 LYS 8 5.478 7.112 -16.053 51 HD3 LYS 8 HD1 LYS 8 4.207 5.891 -16.141 52 HE2 LYS 8 HE2 LYS 8 2.594 7.323 -15.447 53 HE3 LYS 8 HE1 LYS 8 3.686 8.205 -14.380 54 HZ1 LYS 8 HZ1 LYS 8 3.215 8.569 -17.261 55 HZ2 LYS 8 HZ2 LYS 8 4.704 9.021 -16.598 56 HZ3 LYS 8 HZ3 LYS 8 3.276 9.729 -16.030 57 H ILE 9 HN ILE 9 9.091 4.868 -11.449 58 HA ILE 9 HA ILE 9 7.664 2.316 -11.089 59 HB ILE 9 HB ILE 9 10.480 2.036 -10.598 60 HG12 ILE 9 HG12 ILE 9 9.763 3.089 -13.342 61 HG13 ILE 9 HG11 ILE 9 10.794 3.887 -12.155 62 HG21 ILE 9 HG21 ILE 9 8.548 0.832 -12.556 63 HG22 ILE 9 HG22 ILE 9 9.128 0.155 -11.034 64 HG23 ILE 9 HG23 ILE 9 10.227 0.312 -12.404 65 HD11 ILE 9 HD11 ILE 9 12.345 1.953 -12.306 66 HD12 ILE 9 HD12 ILE 9 12.182 2.876 -13.802 67 HD13 ILE 9 HD13 ILE 9 11.356 1.327 -13.626 68 H LEU 10 HN LEU 10 6.961 2.122 -9.065 69 HA LEU 10 HA LEU 10 8.063 3.637 -6.906 70 HB2 LEU 10 HB2 LEU 10 6.573 2.053 -5.524 71 HB3 LEU 10 HB1 LEU 10 5.798 3.179 -6.621 72 HG LEU 10 HG LEU 10 6.377 0.518 -7.757 73 HD11 LEU 10 HD11 LEU 10 4.244 0.869 -5.657 74 HD12 LEU 10 HD12 LEU 10 5.716 -0.084 -5.474 75 HD13 LEU 10 HD13 LEU 10 4.500 -0.559 -6.660 76 HD21 LEU 10 HD21 LEU 10 4.440 2.703 -8.017 77 HD22 LEU 10 HD22 LEU 10 3.749 1.088 -8.171 78 HD23 LEU 10 HD23 LEU 10 5.067 1.589 -9.231 79 H GLU 11 HN GLU 11 10.273 2.717 -7.611 80 HA GLU 11 HA GLU 11 10.809 0.288 -6.032 81 HB2 GLU 11 HB2 GLU 11 11.087 -0.142 -8.420 82 HB3 GLU 11 HB1 GLU 11 12.196 1.215 -8.551 83 HG2 GLU 11 HG2 GLU 11 13.746 -0.397 -8.357 84 HG3 GLU 11 HG1 GLU 11 13.433 -0.194 -6.634 85 H GLN 12 HN GLN 12 12.066 3.418 -7.125 86 HA GLN 12 HA GLN 12 14.409 3.352 -5.520 87 HB2 GLN 12 HB2 GLN 12 14.148 4.851 -7.449 88 HB3 GLN 12 HB1 GLN 12 12.892 5.733 -6.596 89 HG2 GLN 12 HG2 GLN 12 14.408 7.029 -5.647 90 HG3 GLN 12 HG1 GLN 12 15.197 5.623 -4.936 91 HE21 GLN 12 HE21 GLN 12 17.063 4.865 -5.806 92 HE22 GLN 12 HE22 GLN 12 17.900 5.633 -7.107 93 H GLY 13 HN GLY 13 12.941 2.438 -3.642 94 HA2 GLY 13 HA2 GLY 13 11.817 2.763 -1.633 95 HA3 GLY 13 HA1 GLY 13 13.173 3.850 -1.390 96 H GLU 14 HN GLU 14 10.495 4.279 -3.646 97 HA GLU 14 HA GLU 14 9.897 6.819 -2.336 98 HB2 GLU 14 HB2 GLU 14 8.651 7.367 -4.394 99 HB3 GLU 14 HB1 GLU 14 10.329 6.965 -4.707 100 HG2 GLU 14 HG2 GLU 14 8.163 4.920 -4.989 101 HG3 GLU 14 HG1 GLU 14 8.543 6.046 -6.281 102 H ASP 15 HN ASP 15 8.244 3.892 -3.458 103 HA ASP 15 HA ASP 15 6.330 2.880 -2.745 104 HB2 ASP 15 HB2 ASP 15 6.116 4.969 -0.576 105 HB3 ASP 15 HB1 ASP 15 5.432 3.347 -0.588 106 H CYS 16 HN CYS 16 6.538 5.626 -4.287 107 HA CYS 16 HA CYS 16 4.090 5.736 -5.419 108 HB2 CYS 16 HB2 CYS 16 3.987 6.894 -2.748 109 HB3 CYS 16 HB1 CYS 16 3.469 8.028 -3.989 110 H ASP 17 HN ASP 17 5.488 6.268 -7.104 111 HA ASP 17 HA ASP 17 6.122 9.125 -7.233 112 HB2 ASP 17 HB2 ASP 17 8.212 8.030 -6.602 113 HB3 ASP 17 HB1 ASP 17 8.055 6.914 -7.955 114 H CYS 18 HN CYS 18 6.521 9.884 -9.420 115 HA CYS 18 HA CYS 18 5.273 8.217 -11.500 116 HB2 CYS 18 HB2 CYS 18 4.867 11.195 -11.304 117 HB3 CYS 18 HB1 CYS 18 4.015 10.042 -12.322 118 H GLY 19 HN GLY 19 5.986 8.666 -13.657 119 HA2 GLY 19 HA2 GLY 19 8.687 8.990 -14.030 120 HA3 GLY 19 HA1 GLY 19 7.492 9.300 -15.280 121 H SER 20 HN SER 20 6.229 11.523 -14.553 122 HA SER 20 HA SER 20 8.261 13.525 -13.886 123 HB2 SER 20 HB2 SER 20 7.692 13.083 -16.486 124 HB3 SER 20 HB1 SER 20 6.429 14.253 -16.102 125 HG SER 20 HG SER 20 7.924 15.704 -16.281 126 HA PRO 21 HA PRO 21 5.174 15.133 -11.135 127 HB2 PRO 21 HB2 PRO 21 6.235 17.749 -12.118 128 HB3 PRO 21 HB1 PRO 21 5.945 17.205 -10.461 129 HG2 PRO 21 HG2 PRO 21 8.412 17.263 -11.458 130 HG3 PRO 21 HG1 PRO 21 7.889 15.946 -10.392 131 HD2 PRO 21 HD2 PRO 21 8.333 15.940 -13.332 132 HD3 PRO 21 HD1 PRO 21 8.530 14.628 -12.154 133 H ALA 22 HN ALA 22 5.493 16.249 -14.446 134 HA ALA 22 HA ALA 22 2.917 17.553 -14.470 135 HB1 ALA 22 HB1 ALA 22 5.069 18.054 -15.903 136 HB2 ALA 22 HB2 ALA 22 3.455 18.310 -16.566 137 HB3 ALA 22 HB3 ALA 22 4.357 16.853 -16.981 138 H ASN 23 HN ASN 23 4.299 14.481 -15.394 139 HA ASN 23 HA ASN 23 1.694 13.592 -16.409 140 HB2 ASN 23 HB2 ASN 23 4.509 12.729 -16.913 141 HB3 ASN 23 HB1 ASN 23 3.223 11.536 -17.075 142 HD21 ASN 23 HD21 ASN 23 3.508 14.979 -17.889 143 HD22 ASN 23 HD22 ASN 23 3.045 14.800 -19.544 144 H CYS 24 HN CYS 24 2.584 13.898 -13.548 145 HA CYS 24 HA CYS 24 2.731 11.211 -12.551 146 HB2 CYS 24 HB2 CYS 24 3.961 12.972 -11.395 147 HB3 CYS 24 HB1 CYS 24 2.459 13.840 -11.093 148 H GLN 25 HN GLN 25 0.910 10.174 -13.050 149 HA GLN 25 HA GLN 25 -1.494 11.039 -11.610 150 HB2 GLN 25 HB2 GLN 25 -1.228 10.549 -14.532 151 HB3 GLN 25 HB1 GLN 25 -2.695 9.980 -13.747 152 HG2 GLN 25 HG2 GLN 25 -2.730 12.412 -12.764 153 HG3 GLN 25 HG1 GLN 25 -1.718 12.757 -14.166 154 HE21 GLN 25 HE21 GLN 25 -4.695 10.995 -13.365 155 HE22 GLN 25 HE22 GLN 25 -5.581 11.518 -14.753 156 H ASP 26 HN ASP 26 -0.486 9.337 -10.175 157 HA ASP 26 HA ASP 26 -1.473 6.696 -11.005 158 HB2 ASP 26 HB2 ASP 26 1.137 7.455 -9.753 159 HB3 ASP 26 HB1 ASP 26 0.413 5.906 -9.331 160 H ARG 27 HN ARG 27 -3.378 6.838 -9.937 161 HA ARG 27 HA ARG 27 -4.889 6.988 -8.244 162 HB2 ARG 27 HB2 ARG 27 -2.670 5.224 -7.417 163 HB3 ARG 27 HB1 ARG 27 -3.822 5.670 -6.164 164 HG2 ARG 27 HG2 ARG 27 -5.064 4.808 -8.667 165 HG3 ARG 27 HG1 ARG 27 -4.092 3.566 -7.874 166 HD2 ARG 27 HD2 ARG 27 -5.857 5.098 -6.091 167 HD3 ARG 27 HD1 ARG 27 -6.688 4.106 -7.288 168 HE ARG 27 HE ARG 27 -4.608 2.715 -5.871 169 HH11 ARG 27 HH11 ARG 27 -7.972 3.647 -5.829 170 HH12 ARG 27 HH12 ARG 27 -8.446 2.353 -4.779 171 HH21 ARG 27 HH21 ARG 27 -5.230 1.014 -4.491 172 HH22 ARG 27 HH22 ARG 27 -6.890 0.859 -4.019 173 H CYS 28 HN CYS 28 -2.240 6.920 -5.974 174 HA CYS 28 HA CYS 28 -2.709 9.731 -5.262 175 HB2 CYS 28 HB2 CYS 28 -2.667 7.413 -3.319 176 HB3 CYS 28 HB1 CYS 28 -2.690 9.110 -2.859 177 H CYS 29 HN CYS 29 -0.514 8.554 -6.708 178 HA CYS 29 HA CYS 29 1.660 8.724 -4.734 179 HB2 CYS 29 HB2 CYS 29 1.635 7.559 -7.522 180 HB3 CYS 29 HB1 CYS 29 3.058 7.654 -6.491 181 H ASN 30 HN ASN 30 3.059 10.364 -4.764 182 HA ASN 30 HA ASN 30 2.917 12.251 -7.022 183 HB2 ASN 30 HB2 ASN 30 2.127 13.193 -4.886 184 HB3 ASN 30 HB1 ASN 30 3.680 12.817 -4.150 185 HD21 ASN 30 HD21 ASN 30 4.778 14.613 -3.865 186 HD22 ASN 30 HD22 ASN 30 4.928 15.907 -4.998 187 H ALA 31 HN ALA 31 4.703 12.654 -8.157 188 HA ALA 31 HA ALA 31 7.080 11.136 -7.658 189 HB1 ALA 31 HB1 ALA 31 7.179 13.281 -9.672 190 HB2 ALA 31 HB2 ALA 31 5.915 12.073 -9.902 191 HB3 ALA 31 HB3 ALA 31 7.604 11.575 -9.805 192 H ALA 32 HN ALA 32 6.174 14.541 -7.471 193 HA ALA 32 HA ALA 32 8.670 15.672 -7.016 194 HB1 ALA 32 HB1 ALA 32 6.566 16.911 -5.437 195 HB2 ALA 32 HB2 ALA 32 6.072 16.577 -7.097 196 HB3 ALA 32 HB3 ALA 32 7.504 17.559 -6.783 197 H THR 33 HN THR 33 6.889 13.566 -4.992 198 HA THR 33 HA THR 33 8.618 14.261 -2.708 199 HB THR 33 HB THR 33 6.151 14.675 -2.382 200 HG1 THR 33 HG1 THR 33 6.134 13.662 -0.346 201 HG21 THR 33 HG21 THR 33 5.555 12.496 -3.666 202 HG22 THR 33 HG22 THR 33 4.584 12.998 -2.282 203 HG23 THR 33 HG23 THR 33 5.795 11.729 -2.097 204 H CYS 34 HN CYS 34 7.505 11.831 -4.880 205 HA CYS 34 HA CYS 34 8.071 9.663 -5.192 206 HB2 CYS 34 HB2 CYS 34 10.351 10.678 -3.549 207 HB3 CYS 34 HB1 CYS 34 10.186 8.935 -3.735 208 H LYS 35 HN LYS 35 6.058 10.279 -3.437 209 HA LYS 35 HA LYS 35 5.868 7.889 -1.903 210 HB2 LYS 35 HB2 LYS 35 6.386 8.556 0.181 211 HB3 LYS 35 HB1 LYS 35 7.205 9.903 -0.593 212 HG2 LYS 35 HG2 LYS 35 4.930 11.100 -0.431 213 HG3 LYS 35 HG1 LYS 35 4.528 9.845 0.742 214 HD2 LYS 35 HD2 LYS 35 6.401 10.473 2.125 215 HD3 LYS 35 HD1 LYS 35 6.951 11.633 0.914 216 HE2 LYS 35 HE2 LYS 35 5.816 12.822 2.666 217 HE3 LYS 35 HE1 LYS 35 4.825 12.874 1.209 218 HZ1 LYS 35 HZ1 LYS 35 3.605 12.383 3.317 219 HZ2 LYS 35 HZ2 LYS 35 4.410 10.897 3.378 220 HZ3 LYS 35 HZ3 LYS 35 3.376 11.244 2.086 221 H LEU 36 HN LEU 36 3.827 8.215 -0.313 222 HA LEU 36 HA LEU 36 1.607 8.528 -1.963 223 HB2 LEU 36 HB2 LEU 36 1.993 8.402 0.998 224 HB3 LEU 36 HB1 LEU 36 0.408 8.786 0.356 225 HG LEU 36 HG LEU 36 1.824 6.357 -0.650 226 HD11 LEU 36 HD11 LEU 36 2.017 6.220 1.783 227 HD12 LEU 36 HD12 LEU 36 0.879 5.028 1.156 228 HD13 LEU 36 HD13 LEU 36 0.281 6.492 1.936 229 HD21 LEU 36 HD21 LEU 36 -1.056 7.122 -0.204 230 HD22 LEU 36 HD22 LEU 36 -0.518 5.542 -0.773 231 HD23 LEU 36 HD23 LEU 36 -0.217 6.980 -1.749 232 H THR 37 HN THR 37 0.214 10.171 -2.402 233 HA THR 37 HA THR 37 1.149 12.842 -2.055 234 HB THR 37 HB THR 37 -0.853 13.504 -3.266 235 HG1 THR 37 HG1 THR 37 -1.697 10.809 -3.060 236 HG21 THR 37 HG21 THR 37 0.198 12.846 -5.092 237 HG22 THR 37 HG22 THR 37 -0.677 11.320 -4.978 238 HG23 THR 37 HG23 THR 37 0.923 11.476 -4.252 239 HA PRO 38 HA PRO 38 -0.736 14.319 1.632 240 HB2 PRO 38 HB2 PRO 38 -2.225 16.332 0.021 241 HB3 PRO 38 HB1 PRO 38 -1.153 16.568 1.406 242 HG2 PRO 38 HG2 PRO 38 -0.336 17.156 -1.059 243 HG3 PRO 38 HG1 PRO 38 0.768 16.413 0.113 244 HD2 PRO 38 HD2 PRO 38 -0.651 15.176 -2.207 245 HD3 PRO 38 HD1 PRO 38 0.980 14.858 -1.580 246 H GLY 39 HN GLY 39 -2.341 13.364 2.704 247 HA2 GLY 39 HA2 GLY 39 -4.596 12.997 3.265 248 HA3 GLY 39 HA1 GLY 39 -5.055 13.457 1.633 249 H SER 40 HN SER 40 -2.465 11.261 1.724 250 HA SER 40 HA SER 40 -4.307 9.028 1.175 251 HB2 SER 40 HB2 SER 40 -1.524 9.136 0.056 252 HB3 SER 40 HB1 SER 40 -2.935 8.274 -0.555 253 HG SER 40 HG SER 40 -3.821 10.313 -1.126 254 H GLN 41 HN GLN 41 -4.043 7.186 2.303 255 HA GLN 41 HA GLN 41 -1.722 7.047 4.117 256 HB2 GLN 41 HB2 GLN 41 -4.496 5.898 4.470 257 HB3 GLN 41 HB1 GLN 41 -3.160 5.672 5.591 258 HG2 GLN 41 HG2 GLN 41 -3.311 7.775 6.421 259 HG3 GLN 41 HG1 GLN 41 -3.886 8.455 4.899 260 HE21 GLN 41 HE21 GLN 41 -5.165 5.721 6.722 261 HE22 GLN 41 HE22 GLN 41 -6.718 6.416 7.025 262 H CYS 42 HN CYS 42 -3.469 5.442 1.617 263 HA CYS 42 HA CYS 42 -1.442 3.395 1.446 264 HB2 CYS 42 HB2 CYS 42 -3.752 2.837 2.923 265 HB3 CYS 42 HB1 CYS 42 -3.982 2.044 1.371 266 H ASN 43 HN ASN 43 -0.947 3.601 -0.626 267 HA ASN 43 HA ASN 43 -3.104 3.955 -2.585 268 HB2 ASN 43 HB2 ASN 43 -1.469 5.696 -2.730 269 HB3 ASN 43 HB1 ASN 43 -0.142 4.539 -2.704 270 HD21 ASN 43 HD21 ASN 43 0.143 3.172 -4.556 271 HD22 ASN 43 HD22 ASN 43 -0.372 3.714 -6.114 272 H TYR 44 HN TYR 44 -1.265 1.528 -1.269 273 HA TYR 44 HA TYR 44 -2.092 -0.464 -2.981 274 HB2 TYR 44 HB2 TYR 44 -0.765 -0.473 -4.785 275 HB3 TYR 44 HB1 TYR 44 -0.090 1.058 -4.250 276 HD1 TYR 44 HD1 TYR 44 0.327 -2.612 -3.693 277 HD2 TYR 44 HD2 TYR 44 2.192 1.204 -3.922 278 HE1 TYR 44 HE1 TYR 44 2.522 -3.679 -3.442 279 HE2 TYR 44 HE2 TYR 44 4.398 0.148 -3.675 280 HH TYR 44 HH TYR 44 5.254 -2.487 -4.262 281 H GLY 45 HN GLY 45 -2.054 -2.131 -1.662 282 HA2 GLY 45 HA2 GLY 45 0.095 -3.439 -0.606 283 HA3 GLY 45 HA1 GLY 45 -0.290 -2.223 0.604 284 H GLU 46 HN GLU 46 -0.461 -4.718 1.483 285 HA GLU 46 HA GLU 46 -2.717 -6.231 1.046 286 HB2 GLU 46 HB2 GLU 46 -0.961 -5.790 3.421 287 HB3 GLU 46 HB1 GLU 46 -2.431 -6.736 3.610 288 HG2 GLU 46 HG2 GLU 46 -1.643 -8.477 2.405 289 HG3 GLU 46 HG1 GLU 46 -0.682 -7.450 1.342 290 H CYS 47 HN CYS 47 -2.359 -3.376 3.090 291 HA CYS 47 HA CYS 47 -5.169 -3.581 3.877 292 HB2 CYS 47 HB2 CYS 47 -2.779 -2.177 4.939 293 HB3 CYS 47 HB1 CYS 47 -4.346 -1.429 5.219 294 H CYS 48 HN CYS 48 -3.221 -1.896 1.613 295 HA CYS 48 HA CYS 48 -4.687 0.513 1.533 296 HB2 CYS 48 HB2 CYS 48 -3.176 -0.639 -0.800 297 HB3 CYS 48 HB1 CYS 48 -3.454 1.055 -0.403 298 H ASP 49 HN ASP 49 -6.315 1.224 0.311 299 HA ASP 49 HA ASP 49 -7.473 -0.033 -1.893 300 HB2 ASP 49 HB2 ASP 49 -8.032 -1.525 0.310 301 HB3 ASP 49 HB1 ASP 49 -9.398 -0.414 0.319 302 H GLN 50 HN GLN 50 -8.330 1.665 -2.891 303 HA GLN 50 HA GLN 50 -9.532 3.555 -3.303 304 HB2 GLN 50 HB2 GLN 50 -11.053 2.318 -1.468 305 HB3 GLN 50 HB1 GLN 50 -10.626 3.757 -0.551 306 HG2 GLN 50 HG2 GLN 50 -12.387 4.689 -1.539 307 HG3 GLN 50 HG1 GLN 50 -11.349 4.815 -2.959 308 HE21 GLN 50 HE21 GLN 50 -13.374 4.780 -4.133 309 HE22 GLN 50 HE22 GLN 50 -14.114 3.262 -4.502 310 H CYS 51 HN CYS 51 -6.847 3.556 -2.094 311 HA CYS 51 HA CYS 51 -5.306 5.144 -1.552 312 HB2 CYS 51 HB2 CYS 51 -6.881 6.643 -2.891 313 HB3 CYS 51 HB1 CYS 51 -7.527 7.170 -1.341 314 H ARG 52 HN ARG 52 -7.470 3.873 0.437 315 HA ARG 52 HA ARG 52 -6.302 5.199 2.782 316 HB2 ARG 52 HB2 ARG 52 -9.193 4.348 2.700 317 HB3 ARG 52 HB1 ARG 52 -8.385 5.319 3.923 318 HG2 ARG 52 HG2 ARG 52 -8.846 6.190 1.078 319 HG3 ARG 52 HG1 ARG 52 -9.870 6.626 2.448 320 HD2 ARG 52 HD2 ARG 52 -6.992 7.140 2.797 321 HD3 ARG 52 HD1 ARG 52 -7.792 8.115 1.565 322 HE ARG 52 HE ARG 52 -8.010 8.437 4.359 323 HH11 ARG 52 HH11 ARG 52 -9.946 8.533 1.457 324 HH12 ARG 52 HH12 ARG 52 -11.092 9.655 2.109 325 HH21 ARG 52 HH21 ARG 52 -9.517 9.913 5.218 326 HH22 ARG 52 HH22 ARG 52 -10.849 10.439 4.244 327 H PHE 53 HN PHE 53 -6.379 3.868 4.747 328 HA PHE 53 HA PHE 53 -5.550 1.224 4.244 329 HB2 PHE 53 HB2 PHE 53 -6.315 2.647 6.789 330 HB3 PHE 53 HB1 PHE 53 -5.820 0.957 6.778 331 HD1 PHE 53 HD1 PHE 53 -3.800 1.608 4.380 332 HD2 PHE 53 HD2 PHE 53 -4.461 3.140 8.298 333 HE1 PHE 53 HE1 PHE 53 -1.455 2.274 4.515 334 HE2 PHE 53 HE2 PHE 53 -2.102 3.817 8.431 335 HZ PHE 53 HZ PHE 53 -0.590 3.387 6.536 336 H LYS 54 HN LYS 54 -6.478 -0.744 4.895 337 HA LYS 54 HA LYS 54 -9.293 -0.892 4.307 338 HB2 LYS 54 HB2 LYS 54 -7.049 -2.750 4.517 339 HB3 LYS 54 HB1 LYS 54 -8.532 -3.403 5.199 340 HG2 LYS 54 HG2 LYS 54 -9.553 -3.554 3.193 341 HG3 LYS 54 HG1 LYS 54 -8.770 -2.104 2.563 342 HD2 LYS 54 HD2 LYS 54 -6.631 -3.470 2.490 343 HD3 LYS 54 HD1 LYS 54 -7.644 -4.886 2.777 344 HE2 LYS 54 HE2 LYS 54 -8.936 -3.560 0.725 345 HE3 LYS 54 HE1 LYS 54 -7.227 -3.351 0.344 346 HZ1 LYS 54 HZ1 LYS 54 -8.054 -6.025 1.138 347 HZ2 LYS 54 HZ2 LYS 54 -6.955 -5.541 -0.053 348 HZ3 LYS 54 HZ3 LYS 54 -8.617 -5.489 -0.365 349 H LYS 55 HN LYS 55 -10.578 -0.092 5.879 350 HA LYS 55 HA LYS 55 -10.371 0.268 8.483 351 HB2 LYS 55 HB2 LYS 55 -12.458 0.612 7.204 352 HB3 LYS 55 HB1 LYS 55 -12.771 -1.117 7.276 353 HG2 LYS 55 HG2 LYS 55 -13.437 -1.048 9.436 354 HG3 LYS 55 HG1 LYS 55 -12.324 0.256 9.853 355 HD2 LYS 55 HD2 LYS 55 -13.754 1.884 8.812 356 HD3 LYS 55 HD1 LYS 55 -14.810 0.617 8.185 357 HE2 LYS 55 HE2 LYS 55 -16.017 1.186 10.024 358 HE3 LYS 55 HE1 LYS 55 -14.946 -0.000 10.768 359 HZ1 LYS 55 HZ1 LYS 55 -15.015 2.893 11.080 360 HZ2 LYS 55 HZ2 LYS 55 -13.481 2.182 11.051 361 HZ3 LYS 55 HZ3 LYS 55 -14.618 1.691 12.203 362 H ALA 56 HN ALA 56 -9.837 -0.814 10.266 363 HA ALA 56 HA ALA 56 -8.874 -3.318 10.426 364 HB1 ALA 56 HB1 ALA 56 -10.231 -1.616 12.452 365 HB2 ALA 56 HB2 ALA 56 -8.556 -2.167 12.376 366 HB3 ALA 56 HB3 ALA 56 -9.831 -3.284 12.868 367 H GLY 57 HN GLY 57 -9.590 -5.337 10.354 368 HA2 GLY 57 HA2 GLY 57 -11.335 -6.952 11.020 369 HA3 GLY 57 HA1 GLY 57 -12.522 -5.748 10.532 370 H THR 58 HN THR 58 -10.395 -5.233 8.273 371 HA THR 58 HA THR 58 -11.724 -6.882 6.322 372 HB THR 58 HB THR 58 -9.450 -4.895 6.111 373 HG1 THR 58 HG1 THR 58 -12.225 -4.761 5.594 374 HG21 THR 58 HG21 THR 58 -10.850 -5.327 3.653 375 HG22 THR 58 HG22 THR 58 -10.135 -6.835 4.227 376 HG23 THR 58 HG23 THR 58 -9.120 -5.406 3.993 377 H VAL 59 HN VAL 59 -11.111 -8.919 5.902 378 HA VAL 59 HA VAL 59 -8.616 -9.922 6.881 379 HB VAL 59 HB VAL 59 -10.619 -11.337 6.908 380 HG11 VAL 59 HG11 VAL 59 -11.896 -11.816 5.119 381 HG12 VAL 59 HG12 VAL 59 -10.512 -11.940 4.033 382 HG13 VAL 59 HG13 VAL 59 -11.165 -10.356 4.451 383 HG21 VAL 59 HG21 VAL 59 -8.552 -12.507 6.958 384 HG22 VAL 59 HG22 VAL 59 -8.329 -12.316 5.219 385 HG23 VAL 59 HG23 VAL 59 -9.602 -13.370 5.834 386 H CYS 60 HN CYS 60 -6.730 -9.894 5.871 387 HA CYS 60 HA CYS 60 -6.708 -9.531 2.943 388 HB2 CYS 60 HB2 CYS 60 -4.434 -9.021 4.852 389 HB3 CYS 60 HB1 CYS 60 -4.532 -8.547 3.162 390 H ARG 61 HN ARG 61 -5.817 -11.701 5.467 391 HA ARG 61 HA ARG 61 -4.882 -13.631 3.517 392 HB2 ARG 61 HB2 ARG 61 -2.885 -12.221 4.348 393 HB3 ARG 61 HB1 ARG 61 -3.083 -13.082 5.867 394 HG2 ARG 61 HG2 ARG 61 -2.472 -15.117 4.944 395 HG3 ARG 61 HG1 ARG 61 -2.814 -14.585 3.298 396 HD2 ARG 61 HD2 ARG 61 -0.376 -14.799 3.885 397 HD3 ARG 61 HD1 ARG 61 -0.863 -13.238 3.231 398 HE ARG 61 HE ARG 61 -0.033 -13.813 5.969 399 HH11 ARG 61 HH11 ARG 61 -1.211 -11.476 3.650 400 HH12 ARG 61 HH12 ARG 61 -0.805 -10.115 4.639 401 HH21 ARG 61 HH21 ARG 61 0.486 -12.025 7.264 402 HH22 ARG 61 HH22 ARG 61 0.158 -10.425 6.687 403 H ILE 62 HN ILE 62 -4.590 -15.795 4.448 404 HA ILE 62 HA ILE 62 -5.606 -16.303 7.098 405 HB ILE 62 HB ILE 62 -7.096 -17.560 4.800 406 HG12 ILE 62 HG12 ILE 62 -9.018 -16.066 5.630 407 HG13 ILE 62 HG11 ILE 62 -7.766 -15.085 6.381 408 HG21 ILE 62 HG21 ILE 62 -7.589 -18.958 6.482 409 HG22 ILE 62 HG22 ILE 62 -8.707 -17.687 6.976 410 HG23 ILE 62 HG23 ILE 62 -7.113 -17.797 7.721 411 HD11 ILE 62 HD11 ILE 62 -8.658 -15.137 3.663 412 HD12 ILE 62 HD12 ILE 62 -6.931 -15.485 3.751 413 HD13 ILE 62 HD13 ILE 62 -7.570 -14.005 4.468 414 H ALA 63 HN ALA 63 -4.529 -17.971 7.882 415 HA ALA 63 HA ALA 63 -2.544 -19.334 6.535 416 HB1 ALA 63 HB1 ALA 63 -2.079 -20.110 8.563 417 HB2 ALA 63 HB2 ALA 63 -3.607 -20.986 8.638 418 HB3 ALA 63 HB3 ALA 63 -3.533 -19.297 9.142 419 H ARG 64 HN ARG 64 -5.592 -20.828 7.608 420 HA ARG 64 HA ARG 64 -6.432 -21.877 5.209 421 HB2 ARG 64 HB2 ARG 64 -4.045 -23.130 5.901 422 HB3 ARG 64 HB1 ARG 64 -5.280 -24.283 6.376 423 HG2 ARG 64 HG2 ARG 64 -4.586 -24.760 4.137 424 HG3 ARG 64 HG1 ARG 64 -6.237 -24.137 4.101 425 HD2 ARG 64 HD2 ARG 64 -5.149 -21.851 3.679 426 HD3 ARG 64 HD1 ARG 64 -3.690 -22.766 3.303 427 HE ARG 64 HE ARG 64 -5.985 -22.453 1.647 428 HH11 ARG 64 HH11 ARG 64 -3.445 -24.692 2.493 429 HH12 ARG 64 HH12 ARG 64 -3.490 -25.512 0.969 430 HH21 ARG 64 HH21 ARG 64 -6.046 -23.531 -0.358 431 HH22 ARG 64 HH22 ARG 64 -4.965 -24.854 -0.650 432 H GLY 65 HN GLY 65 -8.168 -21.099 6.733 433 HA2 GLY 65 HA2 GLY 65 -10.038 -22.845 7.353 434 HA3 GLY 65 HA1 GLY 65 -8.958 -23.100 8.715 435 H ASP 66 HN ASP 66 -9.356 -21.966 10.468 436 HA ASP 66 HA ASP 66 -10.103 -19.224 10.444 437 HB2 ASP 66 HB2 ASP 66 -12.229 -21.283 10.686 438 HB3 ASP 66 HB1 ASP 66 -12.313 -19.926 11.806 439 H TRP 67 HN TRP 67 -8.238 -19.271 11.778 440 HA TRP 67 HA TRP 67 -8.753 -20.226 14.520 441 HB2 TRP 67 HB2 TRP 67 -5.982 -19.875 14.238 442 HB3 TRP 67 HB1 TRP 67 -6.848 -21.401 14.340 443 HD1 TRP 67 HD1 TRP 67 -5.818 -18.886 11.552 444 HE1 TRP 67 HE1 TRP 67 -5.267 -20.241 9.447 445 HE3 TRP 67 HE3 TRP 67 -6.902 -23.558 13.297 446 HZ2 TRP 67 HZ2 TRP 67 -5.273 -22.941 8.628 447 HZ3 TRP 67 HZ3 TRP 67 -6.600 -25.482 11.789 448 HH2 TRP 67 HH2 TRP 67 -5.801 -25.177 9.501 449 H ASN 68 HN ASN 68 -6.457 -18.053 12.947 450 HA ASN 68 HA ASN 68 -7.189 -15.947 14.875 451 HB2 ASN 68 HB2 ASN 68 -4.561 -15.927 13.449 452 HB3 ASN 68 HB1 ASN 68 -4.983 -15.251 15.019 453 HD21 ASN 68 HD21 ASN 68 -4.465 -18.283 13.298 454 HD22 ASN 68 HD22 ASN 68 -3.912 -19.177 14.669 455 H ASP 69 HN ASP 69 -6.357 -16.743 11.570 456 HA ASP 69 HA ASP 69 -6.776 -15.719 9.586 457 HB2 ASP 69 HB2 ASP 69 -8.775 -14.462 11.393 458 HB3 ASP 69 HB1 ASP 69 -8.513 -13.739 9.811 459 H ASP 70 HN ASP 70 -6.671 -13.591 8.438 460 HA ASP 70 HA ASP 70 -4.754 -11.834 9.801 461 HB2 ASP 70 HB2 ASP 70 -3.908 -13.076 7.765 462 HB3 ASP 70 HB1 ASP 70 -5.076 -12.165 6.823 463 H TYR 71 HN TYR 71 -5.437 -9.837 10.227 464 HA TYR 71 HA TYR 71 -7.548 -8.723 8.527 465 HB2 TYR 71 HB2 TYR 71 -7.608 -9.108 11.493 466 HB3 TYR 71 HB1 TYR 71 -8.554 -7.838 10.721 467 HD1 TYR 71 HD1 TYR 71 -10.133 -8.500 8.891 468 HD2 TYR 71 HD2 TYR 71 -8.415 -11.315 11.555 469 HE1 TYR 71 HE1 TYR 71 -11.920 -10.071 8.338 470 HE2 TYR 71 HE2 TYR 71 -10.187 -12.925 11.021 471 HH TYR 71 HH TYR 71 -12.333 -12.488 8.393 472 H CYS 72 HN CYS 72 -7.481 -6.626 8.145 473 HA CYS 72 HA CYS 72 -5.130 -5.159 8.659 474 HB2 CYS 72 HB2 CYS 72 -6.812 -4.866 6.747 475 HB3 CYS 72 HB1 CYS 72 -7.781 -3.951 7.896 476 H THR 73 HN THR 73 -5.072 -3.032 9.779 477 HA THR 73 HA THR 73 -6.775 -3.052 12.183 478 HB THR 73 HB THR 73 -4.962 -2.523 13.556 479 HG1 THR 73 HG1 THR 73 -2.953 -1.825 12.703 480 HG21 THR 73 HG21 THR 73 -3.600 -4.313 13.415 481 HG22 THR 73 HG22 THR 73 -3.266 -4.064 11.700 482 HG23 THR 73 HG23 THR 73 -4.781 -4.815 12.204 483 H GLY 74 HN GLY 74 -6.552 -1.490 9.445 484 HA2 GLY 74 HA2 GLY 74 -6.948 0.646 8.705 485 HA3 GLY 74 HA1 GLY 74 -7.860 0.813 10.197 486 H LYS 75 HN LYS 75 -4.447 0.173 10.322 487 HA LYS 75 HA LYS 75 -3.893 3.009 10.821 488 HB2 LYS 75 HB2 LYS 75 -3.105 0.750 12.667 489 HB3 LYS 75 HB1 LYS 75 -2.582 2.421 12.830 490 HG2 LYS 75 HG2 LYS 75 -4.583 3.117 13.638 491 HG3 LYS 75 HG1 LYS 75 -5.498 1.921 12.717 492 HD2 LYS 75 HD2 LYS 75 -5.706 1.213 14.935 493 HD3 LYS 75 HD1 LYS 75 -4.428 0.189 14.277 494 HE2 LYS 75 HE2 LYS 75 -3.819 2.752 15.717 495 HE3 LYS 75 HE1 LYS 75 -4.053 1.235 16.584 496 HZ1 LYS 75 HZ1 LYS 75 -1.919 1.966 14.685 497 HZ2 LYS 75 HZ2 LYS 75 -2.298 0.341 14.960 498 HZ3 LYS 75 HZ3 LYS 75 -1.782 1.317 16.242 499 H SER 76 HN SER 76 -3.171 0.585 8.890 500 HA SER 76 HA SER 76 -0.619 1.612 8.192 501 HB2 SER 76 HB2 SER 76 -0.167 0.120 10.247 502 HB3 SER 76 HB1 SER 76 -0.498 -1.233 9.165 503 HG SER 76 HG SER 76 1.273 -0.770 8.012 504 H SER 77 HN SER 77 0.441 0.212 6.469 505 HA SER 77 HA SER 77 -1.629 -0.624 4.596 506 HB2 SER 77 HB2 SER 77 0.096 -0.506 2.910 507 HB3 SER 77 HB1 SER 77 0.223 0.933 3.921 508 HG SER 77 HG SER 77 2.076 -0.911 3.431 509 H ASP 78 HN ASP 78 -0.322 -2.192 7.004 510 HA ASP 78 HA ASP 78 0.170 -4.655 5.463 511 HB2 ASP 78 HB2 ASP 78 1.461 -3.537 7.899 512 HB3 ASP 78 HB1 ASP 78 1.262 -5.285 7.821 513 H CYS 79 HN CYS 79 -0.744 -6.560 6.140 514 HA CYS 79 HA CYS 79 -2.951 -6.314 8.090 515 HB2 CYS 79 HB2 CYS 79 -2.925 -7.142 5.344 516 HB3 CYS 79 HB1 CYS 79 -3.395 -8.508 6.348 517 HA PRO 80 HA PRO 80 -0.300 -9.464 10.049 518 HB2 PRO 80 HB2 PRO 80 -1.570 -9.431 12.446 519 HB3 PRO 80 HB1 PRO 80 -0.386 -8.206 11.978 520 HG2 PRO 80 HG2 PRO 80 -3.378 -8.076 11.889 521 HG3 PRO 80 HG1 PRO 80 -2.223 -6.855 12.457 522 HD2 PRO 80 HD2 PRO 80 -3.363 -6.733 10.011 523 HD3 PRO 80 HD1 PRO 80 -1.711 -6.161 10.315 524 H TRP 81 HN TRP 81 -0.604 -11.589 9.781 525 HA TRP 81 HA TRP 81 -3.296 -12.634 9.509 526 HB2 TRP 81 HB2 TRP 81 -2.226 -14.675 8.669 527 HB3 TRP 81 HB1 TRP 81 -1.762 -13.239 7.773 528 HD1 TRP 81 HD1 TRP 81 0.389 -12.832 10.582 529 HE1 TRP 81 HE1 TRP 81 2.679 -13.950 10.221 530 HE3 TRP 81 HE3 TRP 81 -0.836 -15.886 6.723 531 HZ2 TRP 81 HZ2 TRP 81 3.809 -15.890 8.495 532 HZ3 TRP 81 HZ3 TRP 81 0.891 -17.356 5.753 533 HH2 TRP 81 HH2 TRP 81 3.169 -17.355 6.630 534 H ASN 82 HN ASN 82 -0.915 -12.527 11.857 535 HA ASN 82 HA ASN 82 -0.686 -13.420 13.935 536 HB2 ASN 82 HB2 ASN 82 -3.618 -13.892 13.427 537 HB3 ASN 82 HB1 ASN 82 -2.853 -14.357 14.943 538 HD21 ASN 82 HD21 ASN 82 -3.105 -11.578 12.755 539 HD22 ASN 82 HD22 ASN 82 -3.214 -10.389 14.003 540 H HIS 83 HN HIS 83 0.492 -14.993 12.216 541 HA HIS 83 HA HIS 83 -0.158 -17.683 13.171 542 HB2 HIS 83 HB2 HIS 83 0.475 -17.101 10.273 543 HB3 HIS 83 HB1 HIS 83 0.067 -18.663 10.975 544 HD1 HIS 83 HD1 HIS 83 -1.441 -16.550 8.802 545 HD2 HIS 83 HD2 HIS 83 -2.679 -17.972 12.498 546 HE1 HIS 83 HE1 HIS 83 -3.942 -16.321 8.803 547 HE2 HIS 83 HE2 HIS 83 -4.675 -17.353 10.979 Start of MODEL 34 1 H1 SER 1 HT1 SER 1 19.961 4.924 -12.290 2 H2 SER 1 HT2 SER 1 20.935 4.119 -11.129 3 H3 SER 1 HT3 SER 1 19.399 4.740 -10.682 4 HA SER 1 HA SER 1 19.743 2.699 -12.760 5 HB2 SER 1 HB2 SER 1 19.391 2.378 -9.770 6 HB3 SER 1 HB1 SER 1 19.132 1.078 -10.933 7 HG SER 1 HG SER 1 21.477 2.161 -9.988 8 HA PRO 2 HA PRO 2 15.477 2.937 -13.750 9 HB2 PRO 2 HB2 PRO 2 14.825 0.364 -12.558 10 HB3 PRO 2 HB1 PRO 2 14.840 0.834 -14.256 11 HG2 PRO 2 HG2 PRO 2 16.848 -0.615 -12.742 12 HG3 PRO 2 HG1 PRO 2 16.741 -0.359 -14.489 13 HD2 PRO 2 HD2 PRO 2 18.656 0.766 -12.879 14 HD3 PRO 2 HD1 PRO 2 18.123 1.462 -14.422 15 HA PRO 3 HA PRO 3 13.503 2.291 -9.364 16 HB2 PRO 3 HB2 PRO 3 15.788 1.901 -7.566 17 HB3 PRO 3 HB1 PRO 3 14.315 0.948 -7.728 18 HG2 PRO 3 HG2 PRO 3 16.707 0.018 -8.523 19 HG3 PRO 3 HG1 PRO 3 15.200 -0.405 -9.357 20 HD2 PRO 3 HD2 PRO 3 17.279 1.612 -10.107 21 HD3 PRO 3 HD1 PRO 3 16.412 0.454 -11.133 22 H VAL 4 HN VAL 4 14.099 4.596 -10.479 23 HA VAL 4 HA VAL 4 15.148 6.296 -8.313 24 HB VAL 4 HB VAL 4 15.610 7.982 -10.150 25 HG11 VAL 4 HG11 VAL 4 17.646 6.431 -10.963 26 HG12 VAL 4 HG12 VAL 4 17.110 5.510 -9.558 27 HG13 VAL 4 HG13 VAL 4 17.585 7.198 -9.376 28 HG21 VAL 4 HG21 VAL 4 16.032 6.959 -12.399 29 HG22 VAL 4 HG22 VAL 4 14.334 7.093 -11.945 30 HG23 VAL 4 HG23 VAL 4 15.154 5.535 -11.842 31 H CYS 5 HN CYS 5 14.102 8.314 -7.956 32 HA CYS 5 HA CYS 5 11.265 8.213 -8.485 33 HB2 CYS 5 HB2 CYS 5 13.030 9.632 -6.648 34 HB3 CYS 5 HB1 CYS 5 11.827 10.707 -7.354 35 H GLY 6 HN GLY 6 11.248 8.349 -10.698 36 HA2 GLY 6 HA2 GLY 6 10.539 10.474 -12.064 37 HA3 GLY 6 HA1 GLY 6 12.276 10.757 -11.989 38 H ASN 7 HN ASN 7 10.995 7.550 -12.086 39 HA ASN 7 HA ASN 7 11.676 7.243 -14.924 40 HB2 ASN 7 HB2 ASN 7 13.554 6.409 -13.524 41 HB3 ASN 7 HB1 ASN 7 12.438 5.332 -12.683 42 HD21 ASN 7 HD21 ASN 7 11.907 3.428 -13.592 43 HD22 ASN 7 HD22 ASN 7 12.517 2.863 -15.107 44 H LYS 8 HN LYS 8 9.258 7.407 -13.011 45 HA LYS 8 HA LYS 8 7.140 6.656 -13.082 46 HB2 LYS 8 HB2 LYS 8 8.239 5.478 -15.454 47 HB3 LYS 8 HB1 LYS 8 7.220 4.288 -14.656 48 HG2 LYS 8 HG2 LYS 8 5.334 5.382 -15.161 49 HG3 LYS 8 HG1 LYS 8 6.043 6.964 -14.829 50 HD2 LYS 8 HD2 LYS 8 6.547 5.330 -17.316 51 HD3 LYS 8 HD1 LYS 8 5.403 6.668 -17.201 52 HE2 LYS 8 HE2 LYS 8 8.111 7.295 -16.267 53 HE3 LYS 8 HE1 LYS 8 8.005 6.895 -17.981 54 HZ1 LYS 8 HZ1 LYS 8 6.237 8.890 -16.686 55 HZ2 LYS 8 HZ2 LYS 8 6.476 8.635 -18.341 56 HZ3 LYS 8 HZ3 LYS 8 7.714 9.302 -17.402 57 H ILE 9 HN ILE 9 9.505 5.625 -11.544 58 HA ILE 9 HA ILE 9 8.158 3.324 -10.321 59 HB ILE 9 HB ILE 9 11.136 3.671 -10.743 60 HG12 ILE 9 HG12 ILE 9 9.303 1.445 -11.649 61 HG13 ILE 9 HG11 ILE 9 9.780 2.798 -12.670 62 HG21 ILE 9 HG21 ILE 9 10.741 2.792 -8.526 63 HG22 ILE 9 HG22 ILE 9 11.368 1.515 -9.569 64 HG23 ILE 9 HG23 ILE 9 9.650 1.567 -9.175 65 HD11 ILE 9 HD11 ILE 9 11.417 1.434 -13.331 66 HD12 ILE 9 HD12 ILE 9 11.254 0.393 -11.917 67 HD13 ILE 9 HD13 ILE 9 12.191 1.884 -11.812 68 H LEU 10 HN LEU 10 8.423 3.186 -8.066 69 HA LEU 10 HA LEU 10 8.644 5.733 -6.762 70 HB2 LEU 10 HB2 LEU 10 8.442 4.106 -4.689 71 HB3 LEU 10 HB1 LEU 10 7.054 4.534 -5.670 72 HG LEU 10 HG LEU 10 8.591 2.103 -6.429 73 HD11 LEU 10 HD11 LEU 10 7.383 0.735 -4.841 74 HD12 LEU 10 HD12 LEU 10 6.634 2.170 -4.141 75 HD13 LEU 10 HD13 LEU 10 8.375 1.924 -3.997 76 HD21 LEU 10 HD21 LEU 10 6.585 1.425 -7.364 77 HD22 LEU 10 HD22 LEU 10 6.544 3.174 -7.601 78 HD23 LEU 10 HD23 LEU 10 5.622 2.438 -6.288 79 H GLU 11 HN GLU 11 10.963 5.721 -7.761 80 HA GLU 11 HA GLU 11 13.235 5.249 -7.567 81 HB2 GLU 11 HB2 GLU 11 12.758 7.367 -6.386 82 HB3 GLU 11 HB1 GLU 11 12.573 6.466 -4.891 83 HG2 GLU 11 HG2 GLU 11 14.957 5.601 -5.443 84 HG3 GLU 11 HG1 GLU 11 15.030 7.037 -6.461 85 H GLN 12 HN GLN 12 12.331 2.883 -7.345 86 HA GLN 12 HA GLN 12 12.916 0.823 -6.591 87 HB2 GLN 12 HB2 GLN 12 15.053 2.277 -5.790 88 HB3 GLN 12 HB1 GLN 12 14.460 1.701 -4.240 89 HG2 GLN 12 HG2 GLN 12 14.586 -0.385 -6.266 90 HG3 GLN 12 HG1 GLN 12 16.149 0.352 -5.915 91 HE21 GLN 12 HE21 GLN 12 17.121 -0.023 -3.980 92 HE22 GLN 12 HE22 GLN 12 16.509 -1.121 -2.795 93 H GLY 13 HN GLY 13 12.979 2.525 -3.481 94 HA2 GLY 13 HA2 GLY 13 10.485 1.117 -2.774 95 HA3 GLY 13 HA1 GLY 13 11.874 1.068 -1.700 96 H GLU 14 HN GLU 14 10.025 3.541 -3.480 97 HA GLU 14 HA GLU 14 10.293 5.316 -1.169 98 HB2 GLU 14 HB2 GLU 14 9.792 5.683 -4.070 99 HB3 GLU 14 HB1 GLU 14 9.106 6.881 -2.975 100 HG2 GLU 14 HG2 GLU 14 12.003 6.078 -3.108 101 HG3 GLU 14 HG1 GLU 14 11.309 7.541 -3.806 102 H ASP 15 HN ASP 15 7.914 3.619 -3.048 103 HA ASP 15 HA ASP 15 5.892 2.791 -2.298 104 HB2 ASP 15 HB2 ASP 15 6.667 3.643 0.043 105 HB3 ASP 15 HB1 ASP 15 5.571 4.981 -0.286 106 H CYS 16 HN CYS 16 6.585 5.364 -3.983 107 HA CYS 16 HA CYS 16 4.322 5.675 -5.373 108 HB2 CYS 16 HB2 CYS 16 3.979 6.936 -2.763 109 HB3 CYS 16 HB1 CYS 16 3.629 8.019 -4.105 110 H ASP 17 HN ASP 17 5.055 6.631 -7.131 111 HA ASP 17 HA ASP 17 6.279 9.227 -7.031 112 HB2 ASP 17 HB2 ASP 17 8.216 7.792 -6.506 113 HB3 ASP 17 HB1 ASP 17 7.931 6.882 -7.987 114 H CYS 18 HN CYS 18 6.761 10.069 -9.172 115 HA CYS 18 HA CYS 18 5.286 8.718 -11.332 116 HB2 CYS 18 HB2 CYS 18 5.227 11.629 -10.538 117 HB3 CYS 18 HB1 CYS 18 4.718 11.069 -12.123 118 H GLY 19 HN GLY 19 6.016 9.325 -13.504 119 HA2 GLY 19 HA2 GLY 19 8.783 9.228 -13.825 120 HA3 GLY 19 HA1 GLY 19 7.650 9.734 -15.072 121 H SER 20 HN SER 20 6.607 12.022 -14.040 122 HA SER 20 HA SER 20 8.872 13.765 -13.407 123 HB2 SER 20 HB2 SER 20 8.310 13.666 -15.941 124 HB3 SER 20 HB1 SER 20 6.886 14.610 -15.502 125 HG SER 20 HG SER 20 8.970 15.731 -16.109 126 HA PRO 21 HA PRO 21 6.018 15.097 -10.214 127 HB2 PRO 21 HB2 PRO 21 7.585 17.609 -10.643 128 HB3 PRO 21 HB1 PRO 21 7.128 16.815 -9.131 129 HG2 PRO 21 HG2 PRO 21 9.599 16.583 -10.107 130 HG3 PRO 21 HG1 PRO 21 8.795 15.220 -9.308 131 HD2 PRO 21 HD2 PRO 21 9.372 15.649 -12.184 132 HD3 PRO 21 HD1 PRO 21 9.190 14.135 -11.278 133 H ALA 22 HN ALA 22 6.649 16.881 -13.181 134 HA ALA 22 HA ALA 22 4.293 18.537 -12.880 135 HB1 ALA 22 HB1 ALA 22 5.037 19.034 -15.393 136 HB2 ALA 22 HB2 ALA 22 6.557 18.380 -14.782 137 HB3 ALA 22 HB3 ALA 22 5.823 19.782 -14.002 138 H ASN 23 HN ASN 23 5.245 15.611 -14.506 139 HA ASN 23 HA ASN 23 2.624 15.471 -15.829 140 HB2 ASN 23 HB2 ASN 23 4.909 15.209 -17.098 141 HB3 ASN 23 HB1 ASN 23 4.862 13.576 -16.442 142 HD21 ASN 23 HD21 ASN 23 4.681 14.543 -19.206 143 HD22 ASN 23 HD22 ASN 23 3.204 13.901 -19.829 144 H CYS 24 HN CYS 24 3.383 14.865 -12.982 145 HA CYS 24 HA CYS 24 3.379 12.119 -12.509 146 HB2 CYS 24 HB2 CYS 24 3.968 13.796 -10.818 147 HB3 CYS 24 HB1 CYS 24 2.293 14.330 -10.767 148 H GLN 25 HN GLN 25 1.869 11.246 -13.969 149 HA GLN 25 HA GLN 25 -0.934 11.883 -13.684 150 HB2 GLN 25 HB2 GLN 25 -1.291 10.219 -15.425 151 HB3 GLN 25 HB1 GLN 25 0.010 11.310 -15.883 152 HG2 GLN 25 HG2 GLN 25 1.564 9.502 -14.900 153 HG3 GLN 25 HG1 GLN 25 0.159 8.447 -15.041 154 HE21 GLN 25 HE21 GLN 25 2.426 10.445 -16.806 155 HE22 GLN 25 HE22 GLN 25 2.178 9.703 -18.346 156 H ASP 26 HN ASP 26 -0.207 11.174 -11.241 157 HA ASP 26 HA ASP 26 -1.621 8.667 -10.836 158 HB2 ASP 26 HB2 ASP 26 1.163 8.713 -10.725 159 HB3 ASP 26 HB1 ASP 26 0.667 8.816 -9.039 160 H ARG 27 HN ARG 27 -3.300 9.721 -9.887 161 HA ARG 27 HA ARG 27 -3.065 11.827 -8.038 162 HB2 ARG 27 HB2 ARG 27 -5.424 11.494 -7.612 163 HB3 ARG 27 HB1 ARG 27 -5.104 11.344 -9.335 164 HG2 ARG 27 HG2 ARG 27 -5.033 8.830 -7.806 165 HG3 ARG 27 HG1 ARG 27 -6.608 9.618 -7.923 166 HD2 ARG 27 HD2 ARG 27 -5.890 9.824 -10.468 167 HD3 ARG 27 HD1 ARG 27 -4.912 8.419 -10.047 168 HE ARG 27 HE ARG 27 -7.719 8.473 -10.453 169 HH11 ARG 27 HH11 ARG 27 -5.243 6.968 -8.507 170 HH12 ARG 27 HH12 ARG 27 -6.165 5.530 -8.223 171 HH21 ARG 27 HH21 ARG 27 -8.933 6.582 -10.080 172 HH22 ARG 27 HH22 ARG 27 -8.259 5.310 -9.116 173 H CYS 28 HN CYS 28 -2.448 8.512 -7.637 174 HA CYS 28 HA CYS 28 -2.901 8.684 -4.743 175 HB2 CYS 28 HB2 CYS 28 -3.737 6.733 -6.357 176 HB3 CYS 28 HB1 CYS 28 -2.127 6.109 -6.014 177 H CYS 29 HN CYS 29 -0.441 9.092 -6.947 178 HA CYS 29 HA CYS 29 1.566 8.622 -4.863 179 HB2 CYS 29 HB2 CYS 29 1.681 7.585 -7.691 180 HB3 CYS 29 HB1 CYS 29 3.124 7.790 -6.707 181 H ASN 30 HN ASN 30 2.906 10.292 -4.612 182 HA ASN 30 HA ASN 30 3.028 12.283 -6.784 183 HB2 ASN 30 HB2 ASN 30 1.954 13.121 -4.726 184 HB3 ASN 30 HB1 ASN 30 3.411 12.741 -3.819 185 HD21 ASN 30 HD21 ASN 30 4.615 14.442 -3.428 186 HD22 ASN 30 HD22 ASN 30 4.799 15.822 -4.448 187 H ALA 31 HN ALA 31 4.923 12.628 -7.729 188 HA ALA 31 HA ALA 31 7.243 11.155 -6.964 189 HB1 ALA 31 HB1 ALA 31 7.751 13.356 -8.793 190 HB2 ALA 31 HB2 ALA 31 6.363 12.383 -9.275 191 HB3 ALA 31 HB3 ALA 31 7.934 11.619 -9.038 192 H ALA 32 HN ALA 32 6.332 14.563 -6.829 193 HA ALA 32 HA ALA 32 8.686 15.699 -5.952 194 HB1 ALA 32 HB1 ALA 32 6.456 16.886 -4.577 195 HB2 ALA 32 HB2 ALA 32 6.031 16.511 -6.246 196 HB3 ALA 32 HB3 ALA 32 7.430 17.527 -5.901 197 H THR 33 HN THR 33 6.677 13.490 -4.251 198 HA THR 33 HA THR 33 8.122 14.097 -1.756 199 HB THR 33 HB THR 33 5.626 14.499 -1.712 200 HG1 THR 33 HG1 THR 33 5.666 13.950 0.319 201 HG21 THR 33 HG21 THR 33 5.298 11.533 -1.573 202 HG22 THR 33 HG22 THR 33 5.165 12.385 -3.110 203 HG23 THR 33 HG23 THR 33 4.077 12.788 -1.784 204 H CYS 34 HN CYS 34 7.300 11.753 -4.144 205 HA CYS 34 HA CYS 34 7.907 9.583 -4.447 206 HB2 CYS 34 HB2 CYS 34 9.928 10.325 -2.323 207 HB3 CYS 34 HB1 CYS 34 9.923 8.787 -3.173 208 H LYS 35 HN LYS 35 5.717 10.119 -2.904 209 HA LYS 35 HA LYS 35 5.437 7.685 -1.452 210 HB2 LYS 35 HB2 LYS 35 5.703 8.315 0.690 211 HB3 LYS 35 HB1 LYS 35 6.572 9.693 0.036 212 HG2 LYS 35 HG2 LYS 35 4.266 10.841 -0.026 213 HG3 LYS 35 HG1 LYS 35 3.771 9.555 1.075 214 HD2 LYS 35 HD2 LYS 35 5.447 10.199 2.671 215 HD3 LYS 35 HD1 LYS 35 6.136 11.366 1.541 216 HE2 LYS 35 HE2 LYS 35 4.515 12.901 1.927 217 HE3 LYS 35 HE1 LYS 35 3.266 11.679 2.163 218 HZ1 LYS 35 HZ1 LYS 35 3.684 11.546 4.363 219 HZ2 LYS 35 HZ2 LYS 35 4.255 13.123 4.141 220 HZ3 LYS 35 HZ3 LYS 35 5.344 11.830 4.198 221 H LEU 36 HN LEU 36 3.260 7.573 -0.381 222 HA LEU 36 HA LEU 36 1.207 7.906 -2.105 223 HB2 LEU 36 HB2 LEU 36 1.265 7.858 0.888 224 HB3 LEU 36 HB1 LEU 36 -0.254 8.033 0.032 225 HG LEU 36 HG LEU 36 1.510 5.767 -0.754 226 HD11 LEU 36 HD11 LEU 36 0.597 4.377 1.042 227 HD12 LEU 36 HD12 LEU 36 -0.144 5.805 1.765 228 HD13 LEU 36 HD13 LEU 36 1.613 5.676 1.669 229 HD21 LEU 36 HD21 LEU 36 -0.574 4.694 -1.192 230 HD22 LEU 36 HD22 LEU 36 -0.652 6.320 -1.867 231 HD23 LEU 36 HD23 LEU 36 -1.466 5.956 -0.346 232 H THR 37 HN THR 37 -0.229 9.428 -2.709 233 HA THR 37 HA THR 37 0.408 12.178 -2.218 234 HB THR 37 HB THR 37 -1.886 12.403 -3.521 235 HG1 THR 37 HG1 THR 37 -2.270 10.089 -3.212 236 HG21 THR 37 HG21 THR 37 -0.071 13.084 -4.751 237 HG22 THR 37 HG22 THR 37 -0.636 11.693 -5.677 238 HG23 THR 37 HG23 THR 37 0.750 11.531 -4.599 239 HA PRO 38 HA PRO 38 -2.227 13.341 1.118 240 HB2 PRO 38 HB2 PRO 38 -3.907 15.231 -0.068 241 HB3 PRO 38 HB1 PRO 38 -2.327 15.562 0.646 242 HG2 PRO 38 HG2 PRO 38 -3.068 15.150 -2.214 243 HG3 PRO 38 HG1 PRO 38 -1.876 16.257 -1.509 244 HD2 PRO 38 HD2 PRO 38 -1.123 13.997 -2.730 245 HD3 PRO 38 HD1 PRO 38 -0.276 14.587 -1.284 246 H GLY 39 HN GLY 39 -3.652 11.865 1.796 247 HA2 GLY 39 HA2 GLY 39 -5.974 11.262 2.008 248 HA3 GLY 39 HA1 GLY 39 -6.165 11.577 0.288 249 H SER 40 HN SER 40 -3.557 10.164 -0.220 250 HA SER 40 HA SER 40 -4.695 7.528 -0.512 251 HB2 SER 40 HB2 SER 40 -1.992 8.623 -1.327 252 HB3 SER 40 HB1 SER 40 -2.613 7.030 -1.761 253 HG SER 40 HG SER 40 -3.970 9.435 -2.386 254 H GLN 41 HN GLN 41 -4.554 6.038 1.026 255 HA GLN 41 HA GLN 41 -2.246 6.130 2.849 256 HB2 GLN 41 HB2 GLN 41 -5.129 5.583 3.283 257 HB3 GLN 41 HB1 GLN 41 -3.988 4.650 4.242 258 HG2 GLN 41 HG2 GLN 41 -2.998 7.163 4.526 259 HG3 GLN 41 HG1 GLN 41 -4.729 7.476 4.409 260 HE21 GLN 41 HE21 GLN 41 -5.676 5.141 5.605 261 HE22 GLN 41 HE22 GLN 41 -5.262 5.173 7.282 262 H CYS 42 HN CYS 42 -2.779 4.566 0.184 263 HA CYS 42 HA CYS 42 -1.498 2.167 1.134 264 HB2 CYS 42 HB2 CYS 42 -3.124 0.582 0.386 265 HB3 CYS 42 HB1 CYS 42 -3.897 1.695 1.503 266 H ASN 43 HN ASN 43 -3.208 3.377 -1.747 267 HA ASN 43 HA ASN 43 -2.587 3.559 -3.917 268 HB2 ASN 43 HB2 ASN 43 -0.620 4.731 -3.199 269 HB3 ASN 43 HB1 ASN 43 0.180 3.229 -2.752 270 HD21 ASN 43 HD21 ASN 43 1.818 2.975 -4.091 271 HD22 ASN 43 HD22 ASN 43 1.750 3.113 -5.812 272 H TYR 44 HN TYR 44 -1.561 0.809 -2.076 273 HA TYR 44 HA TYR 44 -2.478 -1.074 -3.900 274 HB2 TYR 44 HB2 TYR 44 -0.550 -1.954 -4.946 275 HB3 TYR 44 HB1 TYR 44 -0.417 -0.213 -5.155 276 HD1 TYR 44 HD1 TYR 44 0.822 -3.076 -3.154 277 HD2 TYR 44 HD2 TYR 44 1.446 0.969 -4.310 278 HE1 TYR 44 HE1 TYR 44 3.057 -3.135 -2.131 279 HE2 TYR 44 HE2 TYR 44 3.683 0.923 -3.291 280 HH TYR 44 HH TYR 44 5.424 -1.148 -2.768 281 H GLY 45 HN GLY 45 -1.925 -3.321 -3.242 282 HA2 GLY 45 HA2 GLY 45 -0.773 -4.724 -1.586 283 HA3 GLY 45 HA1 GLY 45 -0.995 -3.414 -0.436 284 H GLU 46 HN GLU 46 -1.772 -5.887 0.306 285 HA GLU 46 HA GLU 46 -4.396 -6.640 -0.320 286 HB2 GLU 46 HB2 GLU 46 -2.474 -7.225 1.858 287 HB3 GLU 46 HB1 GLU 46 -4.168 -7.540 2.211 288 HG2 GLU 46 HG2 GLU 46 -2.960 -9.510 1.356 289 HG3 GLU 46 HG1 GLU 46 -4.337 -9.047 0.357 290 H CYS 47 HN CYS 47 -3.146 -4.571 2.280 291 HA CYS 47 HA CYS 47 -5.712 -4.054 3.410 292 HB2 CYS 47 HB2 CYS 47 -3.144 -3.693 4.264 293 HB3 CYS 47 HB1 CYS 47 -3.607 -2.042 3.864 294 H CYS 48 HN CYS 48 -4.070 -2.812 0.670 295 HA CYS 48 HA CYS 48 -5.123 -0.206 0.658 296 HB2 CYS 48 HB2 CYS 48 -3.200 -1.000 -0.734 297 HB3 CYS 48 HB1 CYS 48 -4.354 -1.865 -1.746 298 H ASP 49 HN ASP 49 -6.951 0.646 -0.066 299 HA ASP 49 HA ASP 49 -8.771 -0.726 -1.800 300 HB2 ASP 49 HB2 ASP 49 -9.121 -0.919 1.077 301 HB3 ASP 49 HB1 ASP 49 -10.493 -0.113 0.324 302 H GLN 50 HN GLN 50 -9.001 0.965 -3.147 303 HA GLN 50 HA GLN 50 -9.596 3.014 -3.942 304 HB2 GLN 50 HB2 GLN 50 -11.565 2.418 -2.269 305 HB3 GLN 50 HB1 GLN 50 -10.890 3.760 -1.356 306 HG2 GLN 50 HG2 GLN 50 -11.321 5.292 -3.083 307 HG3 GLN 50 HG1 GLN 50 -11.618 4.008 -4.254 308 HE21 GLN 50 HE21 GLN 50 -13.493 5.768 -4.278 309 HE22 GLN 50 HE22 GLN 50 -14.907 5.276 -3.417 310 H CYS 51 HN CYS 51 -7.075 2.756 -2.832 311 HA CYS 51 HA CYS 51 -5.278 3.989 -2.203 312 HB2 CYS 51 HB2 CYS 51 -7.250 6.171 -2.804 313 HB3 CYS 51 HB1 CYS 51 -5.667 6.555 -2.137 314 H ARG 52 HN ARG 52 -7.245 2.965 -0.230 315 HA ARG 52 HA ARG 52 -6.238 4.471 2.059 316 HB2 ARG 52 HB2 ARG 52 -9.110 4.163 1.317 317 HB3 ARG 52 HB1 ARG 52 -8.685 4.070 3.021 318 HG2 ARG 52 HG2 ARG 52 -7.544 6.340 1.525 319 HG3 ARG 52 HG1 ARG 52 -9.293 6.356 1.762 320 HD2 ARG 52 HD2 ARG 52 -9.116 6.479 4.058 321 HD3 ARG 52 HD1 ARG 52 -7.506 5.759 4.076 322 HE ARG 52 HE ARG 52 -6.616 7.851 3.862 323 HH11 ARG 52 HH11 ARG 52 -9.981 7.977 2.944 324 HH12 ARG 52 HH12 ARG 52 -10.005 9.702 2.795 325 HH21 ARG 52 HH21 ARG 52 -6.646 10.120 3.667 326 HH22 ARG 52 HH22 ARG 52 -8.112 10.919 3.205 327 H PHE 53 HN PHE 53 -5.648 3.168 3.722 328 HA PHE 53 HA PHE 53 -5.535 0.382 3.351 329 HB2 PHE 53 HB2 PHE 53 -5.051 2.135 5.750 330 HB3 PHE 53 HB1 PHE 53 -4.952 0.381 5.869 331 HD1 PHE 53 HD1 PHE 53 -3.793 0.039 3.013 332 HD2 PHE 53 HD2 PHE 53 -2.765 2.524 6.311 333 HE1 PHE 53 HE1 PHE 53 -1.477 0.116 2.224 334 HE2 PHE 53 HE2 PHE 53 -0.435 2.606 5.524 335 HZ PHE 53 HZ PHE 53 0.214 1.401 3.476 336 H LYS 54 HN LYS 54 -6.664 -1.305 4.198 337 HA LYS 54 HA LYS 54 -9.417 -0.851 4.759 338 HB2 LYS 54 HB2 LYS 54 -7.672 -3.136 4.306 339 HB3 LYS 54 HB1 LYS 54 -8.846 -3.454 5.575 340 HG2 LYS 54 HG2 LYS 54 -10.619 -3.371 4.156 341 HG3 LYS 54 HG1 LYS 54 -9.837 -2.219 3.070 342 HD2 LYS 54 HD2 LYS 54 -8.833 -5.034 3.327 343 HD3 LYS 54 HD1 LYS 54 -10.180 -4.641 2.256 344 HE2 LYS 54 HE2 LYS 54 -8.530 -2.767 1.425 345 HE3 LYS 54 HE1 LYS 54 -7.313 -3.860 2.080 346 HZ1 LYS 54 HZ1 LYS 54 -7.931 -4.135 -0.348 347 HZ2 LYS 54 HZ2 LYS 54 -9.390 -4.796 0.195 348 HZ3 LYS 54 HZ3 LYS 54 -7.925 -5.539 0.597 349 H LYS 55 HN LYS 55 -10.044 0.053 6.600 350 HA LYS 55 HA LYS 55 -8.826 0.535 8.909 351 HB2 LYS 55 HB2 LYS 55 -11.153 1.176 8.418 352 HB3 LYS 55 HB1 LYS 55 -11.669 -0.474 8.736 353 HG2 LYS 55 HG2 LYS 55 -12.165 0.596 10.715 354 HG3 LYS 55 HG1 LYS 55 -10.585 -0.112 11.056 355 HD2 LYS 55 HD2 LYS 55 -9.524 2.041 10.511 356 HD3 LYS 55 HD1 LYS 55 -11.119 2.740 10.222 357 HE2 LYS 55 HE2 LYS 55 -11.611 1.888 12.640 358 HE3 LYS 55 HE1 LYS 55 -9.854 1.888 12.791 359 HZ1 LYS 55 HZ1 LYS 55 -9.866 4.234 12.122 360 HZ2 LYS 55 HZ2 LYS 55 -10.743 3.975 13.545 361 HZ3 LYS 55 HZ3 LYS 55 -11.558 4.215 12.082 362 H ALA 56 HN ALA 56 -7.980 -0.482 10.601 363 HA ALA 56 HA ALA 56 -7.294 -3.095 10.686 364 HB1 ALA 56 HB1 ALA 56 -6.263 -1.833 12.314 365 HB2 ALA 56 HB2 ALA 56 -7.387 -2.797 13.274 366 HB3 ALA 56 HB3 ALA 56 -7.777 -1.123 12.874 367 H GLY 57 HN GLY 57 -8.286 -4.979 10.956 368 HA2 GLY 57 HA2 GLY 57 -9.912 -6.287 12.282 369 HA3 GLY 57 HA1 GLY 57 -11.027 -4.942 12.074 370 H THR 58 HN THR 58 -9.619 -4.912 9.224 371 HA THR 58 HA THR 58 -11.730 -6.413 7.951 372 HB THR 58 HB THR 58 -9.386 -4.914 6.750 373 HG1 THR 58 HG1 THR 58 -10.513 -3.228 7.230 374 HG21 THR 58 HG21 THR 58 -11.717 -5.020 5.101 375 HG22 THR 58 HG22 THR 58 -11.188 -6.654 5.508 376 HG23 THR 58 HG23 THR 58 -10.065 -5.525 4.746 377 H VAL 59 HN VAL 59 -11.493 -8.586 7.964 378 HA VAL 59 HA VAL 59 -9.020 -9.922 8.051 379 HB VAL 59 HB VAL 59 -11.034 -11.033 8.826 380 HG11 VAL 59 HG11 VAL 59 -12.300 -9.949 6.716 381 HG12 VAL 59 HG12 VAL 59 -12.933 -11.312 7.640 382 HG13 VAL 59 HG13 VAL 59 -12.073 -11.595 6.127 383 HG21 VAL 59 HG21 VAL 59 -10.760 -13.205 7.737 384 HG22 VAL 59 HG22 VAL 59 -9.201 -12.445 8.059 385 HG23 VAL 59 HG23 VAL 59 -9.866 -12.436 6.426 386 H CYS 60 HN CYS 60 -7.566 -10.227 6.515 387 HA CYS 60 HA CYS 60 -8.426 -10.026 3.701 388 HB2 CYS 60 HB2 CYS 60 -5.557 -9.868 4.553 389 HB3 CYS 60 HB1 CYS 60 -6.329 -9.188 3.126 390 H ARG 61 HN ARG 61 -6.972 -12.079 6.066 391 HA ARG 61 HA ARG 61 -7.028 -14.300 4.206 392 HB2 ARG 61 HB2 ARG 61 -4.457 -13.772 5.680 393 HB3 ARG 61 HB1 ARG 61 -4.757 -14.944 4.406 394 HG2 ARG 61 HG2 ARG 61 -5.041 -13.131 2.800 395 HG3 ARG 61 HG1 ARG 61 -4.734 -11.953 4.077 396 HD2 ARG 61 HD2 ARG 61 -2.808 -14.064 3.110 397 HD3 ARG 61 HD1 ARG 61 -2.737 -12.346 2.726 398 HE ARG 61 HE ARG 61 -2.671 -12.993 5.546 399 HH11 ARG 61 HH11 ARG 61 -0.808 -12.351 2.665 400 HH12 ARG 61 HH12 ARG 61 0.616 -11.900 3.539 401 HH21 ARG 61 HH21 ARG 61 -0.802 -12.406 6.693 402 HH22 ARG 61 HH22 ARG 61 0.621 -11.931 5.826 403 H ILE 62 HN ILE 62 -6.355 -16.362 5.337 404 HA ILE 62 HA ILE 62 -6.579 -16.444 8.203 405 HB ILE 62 HB ILE 62 -8.716 -17.913 6.668 406 HG12 ILE 62 HG12 ILE 62 -10.280 -16.194 7.758 407 HG13 ILE 62 HG11 ILE 62 -8.849 -15.193 7.959 408 HG21 ILE 62 HG21 ILE 62 -9.031 -17.216 9.510 409 HG22 ILE 62 HG22 ILE 62 -7.752 -18.372 9.134 410 HG23 ILE 62 HG23 ILE 62 -9.415 -18.710 8.654 411 HD11 ILE 62 HD11 ILE 62 -8.803 -15.992 5.298 412 HD12 ILE 62 HD12 ILE 62 -9.233 -14.403 5.933 413 HD13 ILE 62 HD13 ILE 62 -10.490 -15.607 5.641 414 H ALA 63 HN ALA 63 -5.360 -18.071 8.881 415 HA ALA 63 HA ALA 63 -3.807 -19.675 7.323 416 HB1 ALA 63 HB1 ALA 63 -2.985 -20.202 9.309 417 HB2 ALA 63 HB2 ALA 63 -4.404 -21.195 9.642 418 HB3 ALA 63 HB3 ALA 63 -4.398 -19.488 10.086 419 H ARG 64 HN ARG 64 -6.567 -21.043 9.104 420 HA ARG 64 HA ARG 64 -7.853 -22.226 6.938 421 HB2 ARG 64 HB2 ARG 64 -5.464 -23.470 7.206 422 HB3 ARG 64 HB1 ARG 64 -6.448 -24.462 8.270 423 HG2 ARG 64 HG2 ARG 64 -6.460 -25.460 6.113 424 HG3 ARG 64 HG1 ARG 64 -8.056 -24.761 6.392 425 HD2 ARG 64 HD2 ARG 64 -7.723 -23.932 4.313 426 HD3 ARG 64 HD1 ARG 64 -6.871 -22.675 5.208 427 HE ARG 64 HE ARG 64 -5.067 -24.734 4.602 428 HH11 ARG 64 HH11 ARG 64 -6.899 -22.236 2.996 429 HH12 ARG 64 HH12 ARG 64 -5.762 -22.060 1.702 430 HH21 ARG 64 HH21 ARG 64 -3.570 -24.504 2.901 431 HH22 ARG 64 HH22 ARG 64 -3.873 -23.348 1.647 432 H GLY 65 HN GLY 65 -9.289 -21.201 8.628 433 HA2 GLY 65 HA2 GLY 65 -11.112 -22.772 9.701 434 HA3 GLY 65 HA1 GLY 65 -9.843 -22.953 10.904 435 H ASP 66 HN ASP 66 -9.893 -21.608 12.563 436 HA ASP 66 HA ASP 66 -10.507 -18.851 12.342 437 HB2 ASP 66 HB2 ASP 66 -12.777 -20.358 12.383 438 HB3 ASP 66 HB1 ASP 66 -12.543 -20.054 14.101 439 H TRP 67 HN TRP 67 -8.473 -18.909 13.398 440 HA TRP 67 HA TRP 67 -8.643 -19.503 16.281 441 HB2 TRP 67 HB2 TRP 67 -5.925 -19.415 15.565 442 HB3 TRP 67 HB1 TRP 67 -6.862 -20.840 15.996 443 HD1 TRP 67 HD1 TRP 67 -6.119 -18.778 12.783 444 HE1 TRP 67 HE1 TRP 67 -5.985 -20.421 10.816 445 HE3 TRP 67 HE3 TRP 67 -7.224 -23.095 15.266 446 HZ2 TRP 67 HZ2 TRP 67 -6.304 -23.185 10.370 447 HZ3 TRP 67 HZ3 TRP 67 -7.290 -25.206 13.997 448 HH2 TRP 67 HH2 TRP 67 -6.837 -25.248 11.597 449 H ASN 68 HN ASN 68 -6.472 -17.725 14.140 450 HA ASN 68 HA ASN 68 -6.741 -15.371 15.889 451 HB2 ASN 68 HB2 ASN 68 -4.411 -15.779 14.036 452 HB3 ASN 68 HB1 ASN 68 -4.503 -14.808 15.501 453 HD21 ASN 68 HD21 ASN 68 -4.475 -18.119 14.299 454 HD22 ASN 68 HD22 ASN 68 -3.760 -18.817 15.710 455 H ASP 69 HN ASP 69 -6.587 -16.560 12.591 456 HA ASP 69 HA ASP 69 -7.294 -15.710 10.608 457 HB2 ASP 69 HB2 ASP 69 -8.936 -14.178 12.581 458 HB3 ASP 69 HB1 ASP 69 -8.976 -13.703 10.886 459 H ASP 70 HN ASP 70 -6.759 -14.144 9.088 460 HA ASP 70 HA ASP 70 -4.693 -12.308 9.941 461 HB2 ASP 70 HB2 ASP 70 -4.599 -13.765 7.831 462 HB3 ASP 70 HB1 ASP 70 -5.745 -12.630 7.138 463 H TYR 71 HN TYR 71 -4.968 -10.191 10.302 464 HA TYR 71 HA TYR 71 -7.337 -8.903 9.146 465 HB2 TYR 71 HB2 TYR 71 -6.582 -9.109 12.025 466 HB3 TYR 71 HB1 TYR 71 -7.457 -7.690 11.449 467 HD1 TYR 71 HD2 TYR 71 -9.617 -8.047 10.233 468 HD2 TYR 71 HD1 TYR 71 -7.714 -11.115 12.451 469 HE1 TYR 71 HE2 TYR 71 -11.740 -9.263 10.322 470 HE2 TYR 71 HE1 TYR 71 -9.817 -12.370 12.543 471 HH TYR 71 HH TYR 71 -11.953 -12.503 11.227 472 H CYS 72 HN CYS 72 -7.200 -6.813 8.632 473 HA CYS 72 HA CYS 72 -4.640 -5.686 8.195 474 HB2 CYS 72 HB2 CYS 72 -7.423 -5.020 7.610 475 HB3 CYS 72 HB1 CYS 72 -6.442 -3.598 7.955 476 H THR 73 HN THR 73 -4.027 -3.475 8.981 477 HA THR 73 HA THR 73 -4.834 -3.115 11.792 478 HB THR 73 HB THR 73 -2.621 -2.687 12.443 479 HG1 THR 73 HG1 THR 73 -1.885 -2.585 9.707 480 HG21 THR 73 HG21 THR 73 -3.160 -5.104 11.322 481 HG22 THR 73 HG22 THR 73 -1.695 -4.702 12.218 482 HG23 THR 73 HG23 THR 73 -1.702 -4.618 10.457 483 H GLY 74 HN GLY 74 -5.186 -1.769 8.883 484 HA2 GLY 74 HA2 GLY 74 -5.593 0.351 8.106 485 HA3 GLY 74 HA1 GLY 74 -6.038 0.713 9.766 486 H LYS 75 HN LYS 75 -2.804 -0.331 9.096 487 HA LYS 75 HA LYS 75 -1.840 2.436 9.100 488 HB2 LYS 75 HB2 LYS 75 -0.776 0.291 10.945 489 HB3 LYS 75 HB1 LYS 75 -0.188 1.944 10.822 490 HG2 LYS 75 HG2 LYS 75 -2.830 2.341 11.347 491 HG3 LYS 75 HG1 LYS 75 -2.497 0.867 12.257 492 HD2 LYS 75 HD2 LYS 75 -0.539 2.025 13.280 493 HD3 LYS 75 HD1 LYS 75 -1.056 3.507 12.473 494 HE2 LYS 75 HE2 LYS 75 -2.468 1.960 14.628 495 HE3 LYS 75 HE1 LYS 75 -1.916 3.634 14.666 496 HZ1 LYS 75 HZ1 LYS 75 -4.112 2.568 12.974 497 HZ2 LYS 75 HZ2 LYS 75 -3.576 4.172 12.986 498 HZ3 LYS 75 HZ3 LYS 75 -4.301 3.513 14.364 499 H SER 76 HN SER 76 -1.936 -0.154 7.331 500 HA SER 76 HA SER 76 0.418 0.391 5.886 501 HB2 SER 76 HB2 SER 76 0.558 -1.775 7.916 502 HB3 SER 76 HB1 SER 76 1.259 -2.118 6.334 503 HG SER 76 HG SER 76 1.920 -0.005 8.103 504 H SER 77 HN SER 77 0.765 -1.228 4.107 505 HA SER 77 HA SER 77 -1.829 -2.055 3.089 506 HB2 SER 77 HB2 SER 77 0.498 -2.652 1.412 507 HB3 SER 77 HB1 SER 77 -0.948 -1.713 1.040 508 HG SER 77 HG SER 77 1.455 -0.791 1.490 509 H ASP 78 HN ASP 78 0.018 -3.494 5.195 510 HA ASP 78 HA ASP 78 -0.050 -6.139 3.910 511 HB2 ASP 78 HB2 ASP 78 1.626 -5.093 6.196 512 HB3 ASP 78 HB1 ASP 78 1.547 -6.796 5.754 513 H CYS 79 HN CYS 79 -1.095 -7.822 4.870 514 HA CYS 79 HA CYS 79 -2.714 -7.171 7.247 515 HB2 CYS 79 HB2 CYS 79 -3.658 -7.792 4.761 516 HB3 CYS 79 HB1 CYS 79 -3.636 -9.378 5.526 517 HA PRO 80 HA PRO 80 -0.060 -10.540 8.783 518 HB2 PRO 80 HB2 PRO 80 -0.506 -10.050 11.408 519 HB3 PRO 80 HB1 PRO 80 0.633 -9.102 10.443 520 HG2 PRO 80 HG2 PRO 80 -2.193 -8.460 11.207 521 HG3 PRO 80 HG1 PRO 80 -0.761 -7.413 11.239 522 HD2 PRO 80 HD2 PRO 80 -2.571 -7.327 9.233 523 HD3 PRO 80 HD1 PRO 80 -0.845 -7.017 8.968 524 H TRP 81 HN TRP 81 -0.598 -12.595 9.229 525 HA TRP 81 HA TRP 81 -3.275 -13.487 9.229 526 HB2 TRP 81 HB2 TRP 81 -1.308 -15.288 10.490 527 HB3 TRP 81 HB1 TRP 81 -2.430 -15.593 9.173 528 HD1 TRP 81 HD1 TRP 81 1.135 -14.383 9.856 529 HE1 TRP 81 HE1 TRP 81 2.452 -14.479 7.645 530 HE3 TRP 81 HE3 TRP 81 -2.708 -15.449 6.698 531 HZ2 TRP 81 HZ2 TRP 81 1.916 -14.956 4.921 532 HZ3 TRP 81 HZ3 TRP 81 -2.234 -15.721 4.292 533 HH2 TRP 81 HH2 TRP 81 0.037 -15.475 3.422 534 H ASN 82 HN ASN 82 -1.274 -12.351 11.738 535 HA ASN 82 HA ASN 82 -1.697 -11.951 13.955 536 HB2 ASN 82 HB2 ASN 82 -4.323 -13.399 13.497 537 HB3 ASN 82 HB1 ASN 82 -3.878 -12.510 14.948 538 HD21 ASN 82 HD21 ASN 82 -4.568 -10.511 15.077 539 HD22 ASN 82 HD22 ASN 82 -5.032 -9.504 13.751 540 H HIS 83 HN HIS 83 -0.478 -14.318 12.690 541 HA HIS 83 HA HIS 83 -0.932 -16.406 14.689 542 HB2 HIS 83 HB2 HIS 83 0.617 -16.462 12.083 543 HB3 HIS 83 HB1 HIS 83 0.361 -17.844 13.149 544 HD1 HIS 83 HD1 HIS 83 -0.642 -17.616 10.145 545 HD2 HIS 83 HD2 HIS 83 -2.941 -17.015 13.551 546 HE1 HIS 83 HE1 HIS 83 -3.022 -17.981 9.425 547 HE2 HIS 83 HE2 HIS 83 -4.401 -17.541 11.483 Start of MODEL 35 1 H1 SER 1 HT1 SER 1 16.508 -3.464 -12.733 2 H2 SER 1 HT2 SER 1 17.032 -3.556 -11.101 3 H3 SER 1 HT3 SER 1 17.804 -2.481 -12.194 4 HA SER 1 HA SER 1 15.970 -1.106 -12.322 5 HB2 SER 1 HB2 SER 1 14.617 -3.528 -11.259 6 HB3 SER 1 HB1 SER 1 13.964 -1.973 -10.743 7 HG SER 1 HG SER 1 12.974 -2.054 -12.598 8 HA PRO 2 HA PRO 2 17.936 -0.332 -8.204 9 HB2 PRO 2 HB2 PRO 2 19.037 2.048 -8.866 10 HB3 PRO 2 HB1 PRO 2 19.821 0.506 -9.230 11 HG2 PRO 2 HG2 PRO 2 18.204 2.280 -11.021 12 HG3 PRO 2 HG1 PRO 2 19.723 1.431 -11.363 13 HD2 PRO 2 HD2 PRO 2 17.300 0.502 -12.167 14 HD3 PRO 2 HD1 PRO 2 18.659 -0.569 -11.770 15 HA PRO 3 HA PRO 3 15.012 2.616 -6.676 16 HB2 PRO 3 HB2 PRO 3 16.926 4.168 -5.151 17 HB3 PRO 3 HB1 PRO 3 15.777 2.960 -4.574 18 HG2 PRO 3 HG2 PRO 3 18.476 2.589 -4.554 19 HG3 PRO 3 HG1 PRO 3 17.308 1.261 -4.688 20 HD2 PRO 3 HD2 PRO 3 18.894 2.615 -6.841 21 HD3 PRO 3 HD1 PRO 3 18.556 0.884 -6.611 22 H VAL 4 HN VAL 4 14.356 3.850 -8.433 23 HA VAL 4 HA VAL 4 15.800 6.396 -8.801 24 HB VAL 4 HB VAL 4 14.456 6.224 -11.114 25 HG11 VAL 4 HG11 VAL 4 16.583 5.278 -12.083 26 HG12 VAL 4 HG12 VAL 4 17.154 5.086 -10.425 27 HG13 VAL 4 HG13 VAL 4 16.777 6.692 -11.047 28 HG21 VAL 4 HG21 VAL 4 13.617 3.933 -10.374 29 HG22 VAL 4 HG22 VAL 4 15.265 3.366 -10.645 30 HG23 VAL 4 HG23 VAL 4 14.333 4.039 -11.983 31 H CYS 5 HN CYS 5 14.711 8.025 -7.952 32 HA CYS 5 HA CYS 5 11.842 7.909 -7.592 33 HB2 CYS 5 HB2 CYS 5 13.092 8.948 -5.819 34 HB3 CYS 5 HB1 CYS 5 13.935 10.002 -6.947 35 H GLY 6 HN GLY 6 10.730 8.088 -9.440 36 HA2 GLY 6 HA2 GLY 6 9.719 9.737 -10.934 37 HA3 GLY 6 HA1 GLY 6 11.333 10.401 -11.173 38 H ASN 7 HN ASN 7 10.732 6.994 -10.979 39 HA ASN 7 HA ASN 7 11.169 6.704 -13.873 40 HB2 ASN 7 HB2 ASN 7 12.636 5.546 -11.572 41 HB3 ASN 7 HB1 ASN 7 12.256 4.424 -12.877 42 HD21 ASN 7 HD21 ASN 7 13.925 4.185 -14.161 43 HD22 ASN 7 HD22 ASN 7 14.991 5.434 -14.697 44 H LYS 8 HN LYS 8 9.030 6.374 -11.481 45 HA LYS 8 HA LYS 8 7.012 5.361 -11.393 46 HB2 LYS 8 HB2 LYS 8 7.812 3.543 -13.661 47 HB3 LYS 8 HB1 LYS 8 6.190 3.965 -13.134 48 HG2 LYS 8 HG2 LYS 8 6.216 5.985 -14.194 49 HG3 LYS 8 HG1 LYS 8 7.970 6.144 -14.088 50 HD2 LYS 8 HD2 LYS 8 8.332 4.748 -15.913 51 HD3 LYS 8 HD1 LYS 8 6.734 4.010 -15.787 52 HE2 LYS 8 HE2 LYS 8 6.354 5.380 -17.564 53 HE3 LYS 8 HE1 LYS 8 5.961 6.501 -16.261 54 HZ1 LYS 8 HZ1 LYS 8 7.446 7.438 -17.985 55 HZ2 LYS 8 HZ2 LYS 8 8.632 6.316 -17.544 56 HZ3 LYS 8 HZ3 LYS 8 8.116 7.481 -16.432 57 H ILE 9 HN ILE 9 9.683 4.359 -10.284 58 HA ILE 9 HA ILE 9 8.706 1.688 -9.514 59 HB ILE 9 HB ILE 9 11.523 1.963 -9.001 60 HG12 ILE 9 HG12 ILE 9 10.688 2.356 -11.883 61 HG13 ILE 9 HG11 ILE 9 11.563 3.514 -10.883 62 HG21 ILE 9 HG21 ILE 9 11.510 -0.201 -9.549 63 HG22 ILE 9 HG22 ILE 9 10.662 0.083 -11.070 64 HG23 ILE 9 HG23 ILE 9 9.755 -0.024 -9.560 65 HD11 ILE 9 HD11 ILE 9 12.550 0.839 -11.837 66 HD12 ILE 9 HD12 ILE 9 13.415 1.884 -10.709 67 HD13 ILE 9 HD13 ILE 9 13.102 2.432 -12.357 68 H LEU 10 HN LEU 10 8.022 1.700 -7.483 69 HA LEU 10 HA LEU 10 8.762 3.741 -5.621 70 HB2 LEU 10 HB2 LEU 10 7.546 1.196 -4.669 71 HB3 LEU 10 HB1 LEU 10 7.182 2.847 -4.209 72 HG LEU 10 HG LEU 10 6.282 2.888 -6.747 73 HD11 LEU 10 HD11 LEU 10 5.742 0.907 -7.621 74 HD12 LEU 10 HD12 LEU 10 5.149 0.287 -6.080 75 HD13 LEU 10 HD13 LEU 10 6.873 0.226 -6.451 76 HD21 LEU 10 HD21 LEU 10 4.261 3.171 -5.787 77 HD22 LEU 10 HD22 LEU 10 5.203 3.155 -4.296 78 HD23 LEU 10 HD23 LEU 10 4.384 1.690 -4.837 79 H GLU 11 HN GLU 11 11.118 3.146 -6.154 80 HA GLU 11 HA GLU 11 12.044 1.175 -4.176 81 HB2 GLU 11 HB2 GLU 11 12.402 0.416 -6.493 82 HB3 GLU 11 HB1 GLU 11 13.351 1.860 -6.808 83 HG2 GLU 11 HG2 GLU 11 15.053 1.169 -5.303 84 HG3 GLU 11 HG1 GLU 11 14.053 -0.146 -4.687 85 H GLN 12 HN GLN 12 12.848 4.191 -5.885 86 HA GLN 12 HA GLN 12 15.104 4.800 -4.270 87 HB2 GLN 12 HB2 GLN 12 14.342 5.768 -6.568 88 HB3 GLN 12 HB1 GLN 12 13.458 6.925 -5.587 89 HG2 GLN 12 HG2 GLN 12 16.357 6.459 -5.069 90 HG3 GLN 12 HG1 GLN 12 15.857 7.472 -6.423 91 HE21 GLN 12 HE21 GLN 12 15.760 7.091 -2.946 92 HE22 GLN 12 HE22 GLN 12 15.424 8.746 -2.580 93 H GLY 13 HN GLY 13 13.788 4.131 -2.245 94 HA2 GLY 13 HA2 GLY 13 12.570 4.694 -0.347 95 HA3 GLY 13 HA1 GLY 13 13.696 6.039 -0.379 96 H GLU 14 HN GLU 14 11.118 5.500 -2.705 97 HA GLU 14 HA GLU 14 9.983 8.074 -1.928 98 HB2 GLU 14 HB2 GLU 14 8.822 8.035 -4.084 99 HB3 GLU 14 HB1 GLU 14 10.553 7.822 -4.284 100 HG2 GLU 14 HG2 GLU 14 8.648 5.503 -4.245 101 HG3 GLU 14 HG1 GLU 14 9.034 6.388 -5.711 102 H ASP 15 HN ASP 15 8.927 4.753 -2.600 103 HA ASP 15 HA ASP 15 7.177 3.531 -1.815 104 HB2 ASP 15 HB2 ASP 15 7.616 5.535 0.268 105 HB3 ASP 15 HB1 ASP 15 5.952 4.962 0.208 106 H CYS 16 HN CYS 16 6.904 6.091 -3.616 107 HA CYS 16 HA CYS 16 4.377 5.680 -4.570 108 HB2 CYS 16 HB2 CYS 16 4.349 7.260 -2.122 109 HB3 CYS 16 HB1 CYS 16 3.611 8.114 -3.472 110 H ASP 17 HN ASP 17 5.850 6.042 -6.349 111 HA ASP 17 HA ASP 17 6.206 8.911 -6.922 112 HB2 ASP 17 HB2 ASP 17 8.367 7.917 -6.530 113 HB3 ASP 17 HB1 ASP 17 8.017 6.604 -7.646 114 H CYS 18 HN CYS 18 6.290 9.469 -9.186 115 HA CYS 18 HA CYS 18 4.802 7.652 -10.953 116 HB2 CYS 18 HB2 CYS 18 4.217 10.535 -10.326 117 HB3 CYS 18 HB1 CYS 18 3.739 9.833 -11.861 118 H GLY 19 HN GLY 19 5.797 7.395 -12.872 119 HA2 GLY 19 HA2 GLY 19 8.272 8.216 -13.565 120 HA3 GLY 19 HA1 GLY 19 7.029 7.911 -14.768 121 H SER 20 HN SER 20 5.308 10.031 -14.290 122 HA SER 20 HA SER 20 6.945 12.441 -14.582 123 HB2 SER 20 HB2 SER 20 4.724 11.740 -16.512 124 HB3 SER 20 HB1 SER 20 5.801 13.135 -16.589 125 HG SER 20 HG SER 20 7.295 11.929 -17.457 126 HA PRO 21 HA PRO 21 3.976 13.833 -11.500 127 HB2 PRO 21 HB2 PRO 21 4.820 16.433 -12.713 128 HB3 PRO 21 HB1 PRO 21 4.655 15.989 -11.010 129 HG2 PRO 21 HG2 PRO 21 7.055 16.108 -12.164 130 HG3 PRO 21 HG1 PRO 21 6.672 14.854 -10.972 131 HD2 PRO 21 HD2 PRO 21 6.972 14.635 -13.916 132 HD3 PRO 21 HD1 PRO 21 7.265 13.423 -12.654 133 H ALA 22 HN ALA 22 4.029 14.812 -14.876 134 HA ALA 22 HA ALA 22 1.348 15.897 -14.788 135 HB1 ALA 22 HB1 ALA 22 3.032 15.335 -17.222 136 HB2 ALA 22 HB2 ALA 22 3.152 16.811 -16.265 137 HB3 ALA 22 HB3 ALA 22 1.647 16.419 -17.098 138 H ASN 23 HN ASN 23 2.933 12.917 -15.621 139 HA ASN 23 HA ASN 23 0.386 11.800 -16.570 140 HB2 ASN 23 HB2 ASN 23 2.706 11.690 -17.883 141 HB3 ASN 23 HB1 ASN 23 2.935 10.282 -16.850 142 HD21 ASN 23 HD21 ASN 23 2.642 10.386 -19.719 143 HD22 ASN 23 HD22 ASN 23 1.257 9.431 -20.109 144 H CYS 24 HN CYS 24 1.381 12.267 -13.767 145 HA CYS 24 HA CYS 24 2.066 9.870 -12.526 146 HB2 CYS 24 HB2 CYS 24 2.265 12.067 -11.451 147 HB3 CYS 24 HB1 CYS 24 0.510 12.196 -11.394 148 H GLN 25 HN GLN 25 0.788 8.254 -13.460 149 HA GLN 25 HA GLN 25 -2.075 8.298 -13.212 150 HB2 GLN 25 HB2 GLN 25 -1.996 6.052 -14.150 151 HB3 GLN 25 HB1 GLN 25 -0.968 7.138 -15.074 152 HG2 GLN 25 HG2 GLN 25 0.939 6.251 -13.600 153 HG3 GLN 25 HG1 GLN 25 -0.180 4.952 -13.191 154 HE21 GLN 25 HE21 GLN 25 2.391 5.196 -14.813 155 HE22 GLN 25 HE22 GLN 25 2.026 4.363 -16.283 156 H ASP 26 HN ASP 26 -1.114 8.739 -10.709 157 HA ASP 26 HA ASP 26 -2.083 6.395 -9.290 158 HB2 ASP 26 HB2 ASP 26 0.611 6.676 -9.498 159 HB3 ASP 26 HB1 ASP 26 0.303 7.610 -8.038 160 H ARG 27 HN ARG 27 -3.875 7.497 -8.625 161 HA ARG 27 HA ARG 27 -3.936 10.146 -7.712 162 HB2 ARG 27 HB2 ARG 27 -5.873 8.605 -8.429 163 HB3 ARG 27 HB1 ARG 27 -5.854 8.034 -6.766 164 HG2 ARG 27 HG2 ARG 27 -5.922 10.957 -7.115 165 HG3 ARG 27 HG1 ARG 27 -7.362 10.079 -7.634 166 HD2 ARG 27 HD2 ARG 27 -7.136 8.889 -5.332 167 HD3 ARG 27 HD1 ARG 27 -6.140 10.282 -4.911 168 HE ARG 27 HE ARG 27 -8.572 11.151 -6.045 169 HH11 ARG 27 HH11 ARG 27 -7.299 9.715 -3.130 170 HH12 ARG 27 HH12 ARG 27 -8.537 10.376 -2.115 171 HH21 ARG 27 HH21 ARG 27 -10.201 12.020 -4.711 172 HH22 ARG 27 HH22 ARG 27 -10.185 11.684 -3.012 173 H CYS 28 HN CYS 28 -2.812 7.303 -6.161 174 HA CYS 28 HA CYS 28 -3.060 8.535 -3.514 175 HB2 CYS 28 HB2 CYS 28 -1.987 5.775 -4.037 176 HB3 CYS 28 HB1 CYS 28 -2.710 6.411 -2.565 177 H CYS 29 HN CYS 29 -0.712 7.707 -5.947 178 HA CYS 29 HA CYS 29 1.462 8.478 -4.112 179 HB2 CYS 29 HB2 CYS 29 1.559 6.895 -6.685 180 HB3 CYS 29 HB1 CYS 29 2.976 7.388 -5.767 181 H ASN 30 HN ASN 30 2.624 10.269 -4.486 182 HA ASN 30 HA ASN 30 2.091 11.741 -6.983 183 HB2 ASN 30 HB2 ASN 30 1.410 12.691 -4.644 184 HB3 ASN 30 HB1 ASN 30 3.124 13.069 -4.504 185 HD21 ASN 30 HD21 ASN 30 4.045 14.571 -5.915 186 HD22 ASN 30 HD22 ASN 30 3.078 15.699 -6.797 187 H ALA 31 HN ALA 31 3.731 12.126 -8.319 188 HA ALA 31 HA ALA 31 6.336 11.101 -7.812 189 HB1 ALA 31 HB1 ALA 31 4.955 12.454 -10.027 190 HB2 ALA 31 HB2 ALA 31 6.054 11.078 -10.045 191 HB3 ALA 31 HB3 ALA 31 6.698 12.714 -9.959 192 H ALA 32 HN ALA 32 4.983 14.361 -7.969 193 HA ALA 32 HA ALA 32 7.262 15.885 -7.696 194 HB1 ALA 32 HB1 ALA 32 4.801 16.590 -8.005 195 HB2 ALA 32 HB2 ALA 32 5.886 17.661 -7.118 196 HB3 ALA 32 HB3 ALA 32 4.755 16.629 -6.242 197 H THR 33 HN THR 33 5.877 13.767 -5.367 198 HA THR 33 HA THR 33 7.666 14.882 -3.310 199 HB THR 33 HB THR 33 5.167 15.125 -2.877 200 HG1 THR 33 HG1 THR 33 5.802 15.170 -0.897 201 HG21 THR 33 HG21 THR 33 3.780 13.393 -2.665 202 HG22 THR 33 HG22 THR 33 4.983 12.407 -1.836 203 HG23 THR 33 HG23 THR 33 4.982 12.499 -3.596 204 H CYS 34 HN CYS 34 6.841 12.188 -5.220 205 HA CYS 34 HA CYS 34 7.469 10.007 -5.225 206 HB2 CYS 34 HB2 CYS 34 9.775 11.571 -4.478 207 HB3 CYS 34 HB1 CYS 34 9.834 10.011 -3.665 208 H LYS 35 HN LYS 35 5.579 10.576 -3.415 209 HA LYS 35 HA LYS 35 5.818 8.474 -1.528 210 HB2 LYS 35 HB2 LYS 35 7.014 9.640 0.008 211 HB3 LYS 35 HB1 LYS 35 6.586 11.192 -0.687 212 HG2 LYS 35 HG2 LYS 35 5.636 11.310 1.400 213 HG3 LYS 35 HG1 LYS 35 4.274 10.770 0.422 214 HD2 LYS 35 HD2 LYS 35 4.071 9.177 2.000 215 HD3 LYS 35 HD1 LYS 35 5.392 8.395 1.129 216 HE2 LYS 35 HE2 LYS 35 6.850 9.962 2.693 217 HE3 LYS 35 HE1 LYS 35 5.416 9.861 3.714 218 HZ1 LYS 35 HZ1 LYS 35 6.585 8.060 4.440 219 HZ2 LYS 35 HZ2 LYS 35 7.297 7.752 2.937 220 HZ3 LYS 35 HZ3 LYS 35 5.684 7.323 3.212 221 H LEU 36 HN LEU 36 3.870 8.293 -0.160 222 HA LEU 36 HA LEU 36 1.519 8.380 -1.485 223 HB2 LEU 36 HB2 LEU 36 2.139 8.578 1.435 224 HB3 LEU 36 HB1 LEU 36 0.474 8.675 0.895 225 HG LEU 36 HG LEU 36 1.976 6.383 -0.187 226 HD11 LEU 36 HD11 LEU 36 2.938 6.448 2.043 227 HD12 LEU 36 HD12 LEU 36 1.819 5.094 1.887 228 HD13 LEU 36 HD13 LEU 36 1.326 6.549 2.751 229 HD21 LEU 36 HD21 LEU 36 -0.713 6.798 1.094 230 HD22 LEU 36 HD22 LEU 36 -0.130 5.243 0.501 231 HD23 LEU 36 HD23 LEU 36 -0.359 6.586 -0.620 232 H THR 37 HN THR 37 0.260 9.903 -2.312 233 HA THR 37 HA THR 37 0.736 12.621 -2.192 234 HB THR 37 HB THR 37 -1.420 12.930 -3.228 235 HG1 THR 37 HG1 THR 37 -3.043 11.581 -2.972 236 HG21 THR 37 HG21 THR 37 -0.464 12.058 -5.029 237 HG22 THR 37 HG22 THR 37 -1.345 10.579 -4.646 238 HG23 THR 37 HG23 THR 37 0.319 10.781 -4.098 239 HA PRO 38 HA PRO 38 -0.721 14.327 1.588 240 HB2 PRO 38 HB2 PRO 38 -2.443 16.131 -0.045 241 HB3 PRO 38 HB1 PRO 38 -1.266 16.532 1.212 242 HG2 PRO 38 HG2 PRO 38 -0.687 16.914 -1.357 243 HG3 PRO 38 HG1 PRO 38 0.542 16.316 -0.226 244 HD2 PRO 38 HD2 PRO 38 -1.007 14.834 -2.303 245 HD3 PRO 38 HD1 PRO 38 0.673 14.612 -1.773 246 H GLY 39 HN GLY 39 -2.084 13.167 2.799 247 HA2 GLY 39 HA2 GLY 39 -4.195 12.695 3.700 248 HA3 GLY 39 HA1 GLY 39 -4.936 13.291 2.222 249 H SER 40 HN SER 40 -2.336 11.039 1.942 250 HA SER 40 HA SER 40 -4.250 8.855 1.470 251 HB2 SER 40 HB2 SER 40 -1.915 9.685 -0.262 252 HB3 SER 40 HB1 SER 40 -2.723 8.124 -0.412 253 HG SER 40 HG SER 40 -3.687 10.697 -0.987 254 H GLN 41 HN GLN 41 -3.686 6.889 2.247 255 HA GLN 41 HA GLN 41 -1.083 6.702 3.616 256 HB2 GLN 41 HB2 GLN 41 -3.811 5.681 4.315 257 HB3 GLN 41 HB1 GLN 41 -2.388 4.844 4.920 258 HG2 GLN 41 HG2 GLN 41 -1.718 7.314 5.628 259 HG3 GLN 41 HG1 GLN 41 -3.470 7.506 5.623 260 HE21 GLN 41 HE21 GLN 41 -4.548 5.431 6.661 261 HE22 GLN 41 HE22 GLN 41 -3.924 5.031 8.221 262 H CYS 42 HN CYS 42 -3.322 5.136 1.449 263 HA CYS 42 HA CYS 42 -1.438 2.896 1.108 264 HB2 CYS 42 HB2 CYS 42 -3.203 1.504 0.628 265 HB3 CYS 42 HB1 CYS 42 -3.971 2.607 1.761 266 H ASN 43 HN ASN 43 -2.011 1.921 -1.285 267 HA ASN 43 HA ASN 43 -2.526 3.606 -3.408 268 HB2 ASN 43 HB2 ASN 43 -0.198 4.068 -4.228 269 HB3 ASN 43 HB1 ASN 43 -0.679 4.995 -2.810 270 HD21 ASN 43 HD21 ASN 43 1.376 2.504 -4.049 271 HD22 ASN 43 HD22 ASN 43 2.387 2.355 -2.655 272 H TYR 44 HN TYR 44 -0.815 0.831 -2.160 273 HA TYR 44 HA TYR 44 -1.576 -0.734 -4.416 274 HB2 TYR 44 HB2 TYR 44 0.550 -1.169 -5.399 275 HB3 TYR 44 HB1 TYR 44 0.489 0.579 -5.200 276 HD1 TYR 44 HD1 TYR 44 0.902 -0.274 -1.968 277 HD2 TYR 44 HD2 TYR 44 3.082 -0.555 -5.614 278 HE1 TYR 44 HE1 TYR 44 2.970 -0.420 -0.692 279 HE2 TYR 44 HE2 TYR 44 5.182 -0.669 -4.338 280 HH TYR 44 HH TYR 44 5.271 -1.219 -0.983 281 H GLY 45 HN GLY 45 -1.977 -0.884 -1.706 282 HA2 GLY 45 HA2 GLY 45 -0.423 -3.300 -1.014 283 HA3 GLY 45 HA1 GLY 45 -0.932 -2.123 0.180 284 H GLU 46 HN GLU 46 -1.481 -4.584 0.747 285 HA GLU 46 HA GLU 46 -3.948 -5.588 -0.257 286 HB2 GLU 46 HB2 GLU 46 -2.088 -6.245 1.938 287 HB3 GLU 46 HB1 GLU 46 -3.762 -6.699 2.221 288 HG2 GLU 46 HG2 GLU 46 -3.562 -8.467 0.917 289 HG3 GLU 46 HG1 GLU 46 -3.007 -7.466 -0.425 290 H CYS 47 HN CYS 47 -3.052 -3.443 2.349 291 HA CYS 47 HA CYS 47 -5.739 -3.310 3.425 292 HB2 CYS 47 HB2 CYS 47 -3.364 -3.027 4.610 293 HB3 CYS 47 HB1 CYS 47 -3.636 -1.340 4.189 294 H CYS 48 HN CYS 48 -4.200 -1.937 0.799 295 HA CYS 48 HA CYS 48 -5.083 0.729 0.956 296 HB2 CYS 48 HB2 CYS 48 -3.277 -0.050 -0.544 297 HB3 CYS 48 HB1 CYS 48 -4.477 -0.896 -1.516 298 H ASP 49 HN ASP 49 -6.881 1.734 0.376 299 HA ASP 49 HA ASP 49 -8.843 0.619 -1.367 300 HB2 ASP 49 HB2 ASP 49 -9.118 0.228 1.509 301 HB3 ASP 49 HB1 ASP 49 -10.479 1.117 0.833 302 H GLN 50 HN GLN 50 -8.984 2.423 -2.556 303 HA GLN 50 HA GLN 50 -9.532 4.542 -3.174 304 HB2 GLN 50 HB2 GLN 50 -10.989 4.198 -0.617 305 HB3 GLN 50 HB1 GLN 50 -10.766 5.854 -1.162 306 HG2 GLN 50 HG2 GLN 50 -11.703 5.053 -3.398 307 HG3 GLN 50 HG1 GLN 50 -12.227 3.618 -2.517 308 HE21 GLN 50 HE21 GLN 50 -12.342 7.156 -2.325 309 HE22 GLN 50 HE22 GLN 50 -13.948 7.243 -1.696 310 H CYS 51 HN CYS 51 -6.966 4.087 -2.253 311 HA CYS 51 HA CYS 51 -5.069 5.202 -1.681 312 HB2 CYS 51 HB2 CYS 51 -6.924 7.586 -1.738 313 HB3 CYS 51 HB1 CYS 51 -5.189 7.709 -1.481 314 H ARG 52 HN ARG 52 -7.172 4.251 0.337 315 HA ARG 52 HA ARG 52 -5.849 5.435 2.670 316 HB2 ARG 52 HB2 ARG 52 -8.825 5.097 2.287 317 HB3 ARG 52 HB1 ARG 52 -8.082 5.339 3.862 318 HG2 ARG 52 HG2 ARG 52 -7.090 7.358 2.156 319 HG3 ARG 52 HG1 ARG 52 -8.836 7.277 1.917 320 HD2 ARG 52 HD2 ARG 52 -8.885 8.632 3.716 321 HD3 ARG 52 HD1 ARG 52 -8.708 7.120 4.607 322 HE ARG 52 HE ARG 52 -6.173 8.180 3.916 323 HH11 ARG 52 HH11 ARG 52 -8.837 8.643 6.122 324 HH12 ARG 52 HH12 ARG 52 -7.855 9.362 7.354 325 HH21 ARG 52 HH21 ARG 52 -4.880 9.126 5.534 326 HH22 ARG 52 HH22 ARG 52 -5.609 9.637 7.020 327 H PHE 53 HN PHE 53 -5.544 4.021 4.395 328 HA PHE 53 HA PHE 53 -5.478 1.259 3.712 329 HB2 PHE 53 HB2 PHE 53 -4.870 2.766 6.243 330 HB3 PHE 53 HB1 PHE 53 -4.830 1.007 6.190 331 HD1 PHE 53 HD2 PHE 53 -3.787 1.103 3.182 332 HD2 PHE 53 HD1 PHE 53 -2.522 2.825 6.866 333 HE1 PHE 53 HE2 PHE 53 -1.495 1.181 2.351 334 HE2 PHE 53 HE1 PHE 53 -0.212 2.905 6.033 335 HZ PHE 53 HZ PHE 53 0.310 2.082 3.769 336 H LYS 54 HN LYS 54 -6.637 -0.439 4.454 337 HA LYS 54 HA LYS 54 -9.365 0.070 5.122 338 HB2 LYS 54 HB2 LYS 54 -7.703 -2.256 4.465 339 HB3 LYS 54 HB1 LYS 54 -8.971 -2.610 5.631 340 HG2 LYS 54 HG2 LYS 54 -10.646 -2.241 4.129 341 HG3 LYS 54 HG1 LYS 54 -9.699 -1.087 3.188 342 HD2 LYS 54 HD2 LYS 54 -8.878 -3.960 3.276 343 HD3 LYS 54 HD1 LYS 54 -10.202 -3.460 2.222 344 HE2 LYS 54 HE2 LYS 54 -8.313 -1.572 1.678 345 HE3 LYS 54 HE1 LYS 54 -7.317 -2.993 1.988 346 HZ1 LYS 54 HZ1 LYS 54 -9.634 -3.333 0.243 347 HZ2 LYS 54 HZ2 LYS 54 -8.108 -4.060 0.168 348 HZ3 LYS 54 HZ3 LYS 54 -8.316 -2.475 -0.382 349 H LYS 55 HN LYS 55 -10.016 0.670 7.079 350 HA LYS 55 HA LYS 55 -8.695 0.912 9.387 351 HB2 LYS 55 HB2 LYS 55 -11.043 1.600 9.032 352 HB3 LYS 55 HB1 LYS 55 -11.546 -0.076 9.211 353 HG2 LYS 55 HG2 LYS 55 -11.915 1.211 11.251 354 HG3 LYS 55 HG1 LYS 55 -10.757 -0.096 11.504 355 HD2 LYS 55 HD2 LYS 55 -9.017 1.327 11.840 356 HD3 LYS 55 HD1 LYS 55 -9.652 2.537 10.723 357 HE2 LYS 55 HE2 LYS 55 -11.190 2.063 13.207 358 HE3 LYS 55 HE1 LYS 55 -9.631 2.867 13.379 359 HZ1 LYS 55 HZ1 LYS 55 -11.149 4.585 13.073 360 HZ2 LYS 55 HZ2 LYS 55 -12.003 3.766 11.865 361 HZ3 LYS 55 HZ3 LYS 55 -10.466 4.391 11.537 362 H ALA 56 HN ALA 56 -7.790 -0.304 10.914 363 HA ALA 56 HA ALA 56 -7.124 -2.911 10.676 364 HB1 ALA 56 HB1 ALA 56 -6.004 -1.998 12.427 365 HB2 ALA 56 HB2 ALA 56 -7.250 -2.851 13.337 366 HB3 ALA 56 HB3 ALA 56 -7.416 -1.124 13.019 367 H GLY 57 HN GLY 57 -8.103 -4.823 10.803 368 HA2 GLY 57 HA2 GLY 57 -9.698 -6.251 12.042 369 HA3 GLY 57 HA1 GLY 57 -10.813 -4.890 12.002 370 H THR 58 HN THR 58 -9.551 -4.542 9.129 371 HA THR 58 HA THR 58 -11.685 -5.960 7.797 372 HB THR 58 HB THR 58 -9.444 -4.238 6.704 373 HG1 THR 58 HG1 THR 58 -12.170 -3.669 7.243 374 HG21 THR 58 HG21 THR 58 -10.979 -5.962 5.243 375 HG22 THR 58 HG22 THR 58 -10.181 -4.509 4.632 376 HG23 THR 58 HG23 THR 58 -11.873 -4.445 5.127 377 H VAL 59 HN VAL 59 -11.382 -8.124 7.574 378 HA VAL 59 HA VAL 59 -8.914 -9.405 7.451 379 HB VAL 59 HB VAL 59 -10.948 -10.617 8.057 380 HG11 VAL 59 HG11 VAL 59 -11.822 -10.712 5.207 381 HG12 VAL 59 HG12 VAL 59 -12.277 -9.336 6.212 382 HG13 VAL 59 HG13 VAL 59 -12.758 -10.967 6.680 383 HG21 VAL 59 HG21 VAL 59 -10.265 -12.085 5.608 384 HG22 VAL 59 HG22 VAL 59 -10.167 -12.583 7.297 385 HG23 VAL 59 HG23 VAL 59 -8.886 -11.597 6.593 386 H CYS 60 HN CYS 60 -7.467 -9.456 5.904 387 HA CYS 60 HA CYS 60 -8.252 -8.691 3.186 388 HB2 CYS 60 HB2 CYS 60 -5.435 -9.121 4.167 389 HB3 CYS 60 HB1 CYS 60 -5.979 -8.156 2.799 390 H ARG 61 HN ARG 61 -6.766 -11.265 5.024 391 HA ARG 61 HA ARG 61 -7.474 -13.175 2.987 392 HB2 ARG 61 HB2 ARG 61 -5.348 -14.039 2.464 393 HB3 ARG 61 HB1 ARG 61 -5.198 -12.297 2.297 394 HG2 ARG 61 HG2 ARG 61 -4.382 -12.550 4.809 395 HG3 ARG 61 HG1 ARG 61 -3.938 -14.145 4.219 396 HD2 ARG 61 HD2 ARG 61 -2.514 -13.245 2.574 397 HD3 ARG 61 HD1 ARG 61 -3.188 -11.627 2.762 398 HE ARG 61 HE ARG 61 -2.040 -12.462 5.194 399 HH11 ARG 61 HH11 ARG 61 -1.118 -11.450 1.987 400 HH12 ARG 61 HH12 ARG 61 0.411 -10.815 2.495 401 HH21 ARG 61 HH21 ARG 61 -0.044 -11.636 5.866 402 HH22 ARG 61 HH22 ARG 61 1.024 -10.922 4.702 403 H ILE 62 HN ILE 62 -6.322 -15.400 3.713 404 HA ILE 62 HA ILE 62 -6.148 -15.779 6.537 405 HB ILE 62 HB ILE 62 -8.518 -15.724 6.535 406 HG12 ILE 62 HG12 ILE 62 -9.147 -18.024 7.129 407 HG13 ILE 62 HG11 ILE 62 -7.696 -18.632 6.340 408 HG21 ILE 62 HG21 ILE 62 -9.600 -17.545 4.889 409 HG22 ILE 62 HG22 ILE 62 -8.198 -17.057 3.936 410 HG23 ILE 62 HG23 ILE 62 -9.373 -15.849 4.460 411 HD11 ILE 62 HD11 ILE 62 -6.481 -17.042 8.018 412 HD12 ILE 62 HD12 ILE 62 -7.050 -18.630 8.531 413 HD13 ILE 62 HD13 ILE 62 -7.988 -17.188 8.922 414 H ALA 63 HN ALA 63 -4.886 -17.450 6.896 415 HA ALA 63 HA ALA 63 -3.418 -18.731 5.024 416 HB1 ALA 63 HB1 ALA 63 -2.408 -19.504 6.815 417 HB2 ALA 63 HB2 ALA 63 -3.760 -20.586 7.143 418 HB3 ALA 63 HB3 ALA 63 -3.758 -18.947 7.802 419 H ARG 64 HN ARG 64 -5.644 -20.835 6.811 420 HA ARG 64 HA ARG 64 -7.301 -21.601 4.720 421 HB2 ARG 64 HB2 ARG 64 -4.723 -22.447 4.167 422 HB3 ARG 64 HB1 ARG 64 -5.481 -23.882 4.840 423 HG2 ARG 64 HG2 ARG 64 -5.743 -23.921 2.469 424 HG3 ARG 64 HG1 ARG 64 -7.321 -23.616 3.198 425 HD2 ARG 64 HD2 ARG 64 -6.825 -21.143 2.834 426 HD3 ARG 64 HD1 ARG 64 -5.501 -21.676 1.799 427 HE ARG 64 HE ARG 64 -8.274 -21.650 1.151 428 HH11 ARG 64 HH11 ARG 64 -5.298 -23.386 0.594 429 HH12 ARG 64 HH12 ARG 64 -5.797 -23.998 -0.947 430 HH21 ARG 64 HH21 ARG 64 -8.933 -22.455 -0.875 431 HH22 ARG 64 HH22 ARG 64 -7.861 -23.470 -1.781 432 H GLY 65 HN GLY 65 -8.513 -21.513 6.757 433 HA2 GLY 65 HA2 GLY 65 -9.502 -23.867 7.632 434 HA3 GLY 65 HA1 GLY 65 -8.098 -23.653 8.665 435 H ASP 66 HN ASP 66 -8.472 -20.692 8.573 436 HA ASP 66 HA ASP 66 -9.657 -19.018 9.582 437 HB2 ASP 66 HB2 ASP 66 -11.772 -20.984 10.448 438 HB3 ASP 66 HB1 ASP 66 -11.925 -19.246 10.214 439 H TRP 67 HN TRP 67 -7.810 -19.140 10.959 440 HA TRP 67 HA TRP 67 -8.422 -20.165 13.656 441 HB2 TRP 67 HB2 TRP 67 -5.633 -19.797 13.430 442 HB3 TRP 67 HB1 TRP 67 -6.504 -21.324 13.526 443 HD1 TRP 67 HD1 TRP 67 -5.324 -18.822 10.785 444 HE1 TRP 67 HE1 TRP 67 -4.836 -20.166 8.669 445 HE3 TRP 67 HE3 TRP 67 -6.746 -23.451 12.408 446 HZ2 TRP 67 HZ2 TRP 67 -5.004 -22.832 7.785 447 HZ3 TRP 67 HZ3 TRP 67 -6.543 -25.356 10.862 448 HH2 TRP 67 HH2 TRP 67 -5.688 -25.051 8.594 449 H ASN 68 HN ASN 68 -6.067 -17.973 12.212 450 HA ASN 68 HA ASN 68 -6.657 -15.996 14.299 451 HB2 ASN 68 HB2 ASN 68 -4.264 -15.951 12.470 452 HB3 ASN 68 HB1 ASN 68 -4.456 -15.177 14.041 453 HD21 ASN 68 HD21 ASN 68 -4.126 -18.282 12.422 454 HD22 ASN 68 HD22 ASN 68 -3.437 -19.118 13.768 455 H ASP 69 HN ASP 69 -6.451 -16.521 10.850 456 HA ASP 69 HA ASP 69 -7.223 -15.348 9.064 457 HB2 ASP 69 HB2 ASP 69 -8.869 -14.316 11.309 458 HB3 ASP 69 HB1 ASP 69 -8.884 -13.392 9.811 459 H ASP 70 HN ASP 70 -6.527 -13.677 7.818 460 HA ASP 70 HA ASP 70 -4.560 -11.929 8.975 461 HB2 ASP 70 HB2 ASP 70 -4.164 -12.888 6.759 462 HB3 ASP 70 HB1 ASP 70 -5.619 -12.109 6.158 463 H TYR 71 HN TYR 71 -4.799 -9.825 9.521 464 HA TYR 71 HA TYR 71 -7.240 -8.477 8.628 465 HB2 TYR 71 HB2 TYR 71 -6.383 -9.005 11.433 466 HB3 TYR 71 HB1 TYR 71 -7.292 -7.539 11.061 467 HD1 TYR 71 HD2 TYR 71 -9.460 -7.809 9.792 468 HD2 TYR 71 HD1 TYR 71 -7.507 -11.036 11.722 469 HE1 TYR 71 HE2 TYR 71 -11.567 -9.054 9.784 470 HE2 TYR 71 HE1 TYR 71 -9.595 -12.320 11.715 471 HH TYR 71 HH TYR 71 -12.538 -11.045 11.312 472 H CYS 72 HN CYS 72 -7.193 -6.336 8.411 473 HA CYS 72 HA CYS 72 -4.730 -5.073 7.889 474 HB2 CYS 72 HB2 CYS 72 -7.584 -4.406 7.799 475 HB3 CYS 72 HB1 CYS 72 -6.552 -3.027 8.170 476 H THR 73 HN THR 73 -3.968 -3.066 8.930 477 HA THR 73 HA THR 73 -4.476 -3.100 11.830 478 HB THR 73 HB THR 73 -2.138 -2.428 12.163 479 HG1 THR 73 HG1 THR 73 -1.842 -2.841 9.374 480 HG21 THR 73 HG21 THR 73 -2.986 -4.967 11.270 481 HG22 THR 73 HG22 THR 73 -1.612 -4.566 12.301 482 HG23 THR 73 HG23 THR 73 -1.407 -4.647 10.551 483 H GLY 74 HN GLY 74 -4.775 -1.286 9.037 484 HA2 GLY 74 HA2 GLY 74 -5.394 0.890 8.672 485 HA3 GLY 74 HA1 GLY 74 -5.703 1.000 10.397 486 H LYS 75 HN LYS 75 -2.512 0.070 9.647 487 HA LYS 75 HA LYS 75 -1.580 2.853 9.806 488 HB2 LYS 75 HB2 LYS 75 -0.278 0.604 11.330 489 HB3 LYS 75 HB1 LYS 75 0.037 2.328 11.470 490 HG2 LYS 75 HG2 LYS 75 -2.678 2.044 12.020 491 HG3 LYS 75 HG1 LYS 75 -1.893 0.696 12.845 492 HD2 LYS 75 HD2 LYS 75 -0.385 2.225 13.969 493 HD3 LYS 75 HD1 LYS 75 -1.071 3.589 13.084 494 HE2 LYS 75 HE2 LYS 75 -2.524 1.827 15.055 495 HE3 LYS 75 HE1 LYS 75 -1.971 3.475 15.346 496 HZ1 LYS 75 HZ1 LYS 75 -4.202 2.530 13.686 497 HZ2 LYS 75 HZ2 LYS 75 -3.428 3.974 13.267 498 HZ3 LYS 75 HZ3 LYS 75 -4.151 3.813 14.788 499 H SER 76 HN SER 76 -1.638 0.233 7.938 500 HA SER 76 HA SER 76 0.642 1.019 6.419 501 HB2 SER 76 HB2 SER 76 0.787 -1.799 7.474 502 HB3 SER 76 HB1 SER 76 2.041 -0.864 6.659 503 HG SER 76 HG SER 76 2.648 -0.601 8.682 504 H SER 77 HN SER 77 0.895 -0.378 4.460 505 HA SER 77 HA SER 77 -1.742 -1.121 3.483 506 HB2 SER 77 HB2 SER 77 0.524 -1.533 1.662 507 HB3 SER 77 HB1 SER 77 -0.947 -0.586 1.436 508 HG SER 77 HG SER 77 1.387 0.394 1.754 509 H ASP 78 HN ASP 78 0.205 -2.740 5.356 510 HA ASP 78 HA ASP 78 0.226 -5.231 3.818 511 HB2 ASP 78 HB2 ASP 78 1.651 -4.382 6.340 512 HB3 ASP 78 HB1 ASP 78 1.623 -6.054 5.786 513 H CYS 79 HN CYS 79 -0.547 -7.176 4.790 514 HA CYS 79 HA CYS 79 -2.520 -6.776 6.940 515 HB2 CYS 79 HB2 CYS 79 -2.890 -8.145 4.277 516 HB3 CYS 79 HB1 CYS 79 -3.945 -8.470 5.651 517 HA PRO 80 HA PRO 80 0.151 -10.254 8.235 518 HB2 PRO 80 HB2 PRO 80 -0.348 -9.987 10.882 519 HB3 PRO 80 HB1 PRO 80 0.815 -8.968 10.027 520 HG2 PRO 80 HG2 PRO 80 -2.023 -8.375 10.784 521 HG3 PRO 80 HG1 PRO 80 -0.587 -7.344 10.934 522 HD2 PRO 80 HD2 PRO 80 -2.356 -7.076 8.906 523 HD3 PRO 80 HD1 PRO 80 -0.623 -6.752 8.705 524 H TRP 81 HN TRP 81 -0.512 -12.308 8.225 525 HA TRP 81 HA TRP 81 -3.165 -13.129 8.187 526 HB2 TRP 81 HB2 TRP 81 -1.417 -15.199 9.272 527 HB3 TRP 81 HB1 TRP 81 -2.368 -15.193 7.791 528 HD1 TRP 81 HD1 TRP 81 1.119 -14.189 9.104 529 HE1 TRP 81 HE1 TRP 81 2.721 -14.085 7.089 530 HE3 TRP 81 HE3 TRP 81 -2.263 -14.905 5.376 531 HZ2 TRP 81 HZ2 TRP 81 2.555 -14.288 4.276 532 HZ3 TRP 81 HZ3 TRP 81 -1.475 -14.947 3.037 533 HH2 TRP 81 HH2 TRP 81 0.890 -14.642 2.502 534 H ASN 82 HN ASN 82 -1.128 -12.447 10.837 535 HA ASN 82 HA ASN 82 -1.698 -12.102 13.047 536 HB2 ASN 82 HB2 ASN 82 -4.140 -12.068 12.221 537 HB3 ASN 82 HB1 ASN 82 -4.184 -13.766 12.684 538 HD21 ASN 82 HD21 ASN 82 -4.448 -10.566 13.732 539 HD22 ASN 82 HD22 ASN 82 -4.565 -10.873 15.428 540 H HIS 83 HN HIS 83 -0.159 -14.197 11.858 541 HA HIS 83 HA HIS 83 -0.619 -16.451 13.684 542 HB2 HIS 83 HB2 HIS 83 1.146 -16.328 11.228 543 HB3 HIS 83 HB1 HIS 83 0.774 -17.764 12.179 544 HD1 HIS 83 HD1 HIS 83 0.124 -17.514 9.126 545 HD2 HIS 83 HD2 HIS 83 -2.555 -16.807 12.217 546 HE1 HIS 83 HE1 HIS 83 -2.162 -17.815 8.121 547 HE2 HIS 83 HE2 HIS 83 -3.768 -17.309 9.991 Start of MODEL 36 1 H1 SER 1 HT1 SER 1 20.714 1.187 -12.228 2 H2 SER 1 HT2 SER 1 19.315 1.903 -12.920 3 H3 SER 1 HT3 SER 1 19.227 0.334 -12.229 4 HA SER 1 HA SER 1 19.942 1.401 -10.102 5 HB2 SER 1 HB2 SER 1 20.536 3.524 -11.512 6 HB3 SER 1 HB1 SER 1 18.819 3.894 -11.350 7 HG SER 1 HG SER 1 19.199 3.574 -9.018 8 HA PRO 2 HA PRO 2 15.514 -0.121 -10.732 9 HB2 PRO 2 HB2 PRO 2 15.889 -1.116 -8.049 10 HB3 PRO 2 HB1 PRO 2 15.650 -2.027 -9.539 11 HG2 PRO 2 HG2 PRO 2 18.134 -1.423 -8.105 12 HG3 PRO 2 HG1 PRO 2 17.814 -2.664 -9.325 13 HD2 PRO 2 HD2 PRO 2 19.354 -0.480 -9.802 14 HD3 PRO 2 HD1 PRO 2 18.393 -1.278 -11.065 15 HA PRO 3 HA PRO 3 14.417 2.350 -6.782 16 HB2 PRO 3 HB2 PRO 3 16.354 3.282 -5.168 17 HB3 PRO 3 HB1 PRO 3 15.760 1.621 -5.047 18 HG2 PRO 3 HG2 PRO 3 18.237 2.662 -6.358 19 HG3 PRO 3 HG1 PRO 3 18.022 1.211 -5.363 20 HD2 PRO 3 HD2 PRO 3 18.104 1.192 -8.100 21 HD3 PRO 3 HD1 PRO 3 17.267 -0.030 -7.126 22 H VAL 4 HN VAL 4 14.055 3.742 -8.699 23 HA VAL 4 HA VAL 4 15.678 6.200 -8.545 24 HB VAL 4 HB VAL 4 14.641 6.475 -10.982 25 HG11 VAL 4 HG11 VAL 4 16.971 6.667 -10.577 26 HG12 VAL 4 HG12 VAL 4 16.774 5.467 -11.854 27 HG13 VAL 4 HG13 VAL 4 17.115 4.950 -10.203 28 HG21 VAL 4 HG21 VAL 4 15.052 3.496 -10.788 29 HG22 VAL 4 HG22 VAL 4 14.532 4.419 -12.197 30 HG23 VAL 4 HG23 VAL 4 13.469 4.271 -10.798 31 H CYS 5 HN CYS 5 14.574 7.766 -7.570 32 HA CYS 5 HA CYS 5 11.679 7.789 -7.577 33 HB2 CYS 5 HB2 CYS 5 12.535 8.515 -5.520 34 HB3 CYS 5 HB1 CYS 5 13.818 9.453 -6.269 35 H GLY 6 HN GLY 6 10.763 8.371 -9.437 36 HA2 GLY 6 HA2 GLY 6 10.070 10.282 -10.784 37 HA3 GLY 6 HA1 GLY 6 11.749 10.820 -10.756 38 H ASN 7 HN ASN 7 10.851 7.492 -11.111 39 HA ASN 7 HA ASN 7 11.567 7.539 -13.960 40 HB2 ASN 7 HB2 ASN 7 13.449 6.742 -12.494 41 HB3 ASN 7 HB1 ASN 7 12.414 5.419 -11.966 42 HD21 ASN 7 HD21 ASN 7 14.579 6.534 -14.314 43 HD22 ASN 7 HD22 ASN 7 14.443 5.216 -15.422 44 H LYS 8 HN LYS 8 9.184 7.062 -11.863 45 HA LYS 8 HA LYS 8 7.129 6.151 -12.094 46 HB2 LYS 8 HB2 LYS 8 8.015 4.454 -14.407 47 HB3 LYS 8 HB1 LYS 8 6.417 5.099 -14.061 48 HG2 LYS 8 HG2 LYS 8 8.126 7.311 -14.381 49 HG3 LYS 8 HG1 LYS 8 8.492 6.188 -15.691 50 HD2 LYS 8 HD2 LYS 8 5.653 6.863 -15.017 51 HD3 LYS 8 HD1 LYS 8 6.616 7.951 -16.017 52 HE2 LYS 8 HE2 LYS 8 5.207 6.242 -17.246 53 HE3 LYS 8 HE1 LYS 8 6.911 6.319 -17.689 54 HZ1 LYS 8 HZ1 LYS 8 5.753 4.352 -15.790 55 HZ2 LYS 8 HZ2 LYS 8 7.347 4.391 -16.352 56 HZ3 LYS 8 HZ3 LYS 8 6.084 4.035 -17.419 57 H ILE 9 HN ILE 9 9.659 4.864 -10.876 58 HA ILE 9 HA ILE 9 8.437 2.216 -10.447 59 HB ILE 9 HB ILE 9 11.207 2.151 -9.738 60 HG12 ILE 9 HG12 ILE 9 10.683 3.001 -12.592 61 HG13 ILE 9 HG11 ILE 9 11.544 3.929 -11.369 62 HG21 ILE 9 HG21 ILE 9 9.270 0.625 -11.281 63 HG22 ILE 9 HG22 ILE 9 10.566 0.081 -10.215 64 HG23 ILE 9 HG23 ILE 9 10.919 0.496 -11.892 65 HD11 ILE 9 HD11 ILE 9 13.171 1.991 -11.255 66 HD12 ILE 9 HD12 ILE 9 13.201 2.974 -12.719 67 HD13 ILE 9 HD13 ILE 9 12.403 1.402 -12.730 68 H LEU 10 HN LEU 10 7.612 2.124 -8.463 69 HA LEU 10 HA LEU 10 8.493 3.864 -6.360 70 HB2 LEU 10 HB2 LEU 10 6.949 2.400 -4.959 71 HB3 LEU 10 HB1 LEU 10 6.209 3.299 -6.270 72 HG LEU 10 HG LEU 10 7.063 0.566 -6.966 73 HD11 LEU 10 HD11 LEU 10 6.283 -0.144 -4.912 74 HD12 LEU 10 HD12 LEU 10 4.837 -0.247 -5.915 75 HD13 LEU 10 HD13 LEU 10 5.056 1.120 -4.823 76 HD21 LEU 10 HD21 LEU 10 5.813 1.322 -8.669 77 HD22 LEU 10 HD22 LEU 10 5.002 2.528 -7.671 78 HD23 LEU 10 HD23 LEU 10 4.449 0.854 -7.654 79 H GLU 11 HN GLU 11 10.761 2.876 -6.972 80 HA GLU 11 HA GLU 11 11.277 0.588 -5.198 81 HB2 GLU 11 HB2 GLU 11 11.791 0.129 -7.545 82 HB3 GLU 11 HB1 GLU 11 12.846 1.533 -7.601 83 HG2 GLU 11 HG2 GLU 11 14.096 -0.553 -7.391 84 HG3 GLU 11 HG1 GLU 11 14.349 0.510 -6.008 85 H GLN 12 HN GLN 12 12.451 3.773 -6.236 86 HA GLN 12 HA GLN 12 14.679 3.848 -4.486 87 HB2 GLN 12 HB2 GLN 12 14.491 5.347 -6.386 88 HB3 GLN 12 HB1 GLN 12 13.064 6.094 -5.695 89 HG2 GLN 12 HG2 GLN 12 14.455 7.628 -4.883 90 HG3 GLN 12 HG1 GLN 12 14.926 6.405 -3.705 91 HE21 GLN 12 HE21 GLN 12 15.929 8.364 -6.273 92 HE22 GLN 12 HE22 GLN 12 17.530 7.737 -6.448 93 H GLY 13 HN GLY 13 13.092 2.814 -2.715 94 HA2 GLY 13 HA2 GLY 13 11.869 3.071 -0.761 95 HA3 GLY 13 HA1 GLY 13 13.145 4.234 -0.443 96 H GLU 14 HN GLU 14 10.643 4.557 -2.900 97 HA GLU 14 HA GLU 14 9.789 7.038 -1.613 98 HB2 GLU 14 HB2 GLU 14 9.129 5.966 -4.361 99 HB3 GLU 14 HB1 GLU 14 8.758 7.574 -3.763 100 HG2 GLU 14 HG2 GLU 14 11.439 6.410 -4.421 101 HG3 GLU 14 HG1 GLU 14 10.644 7.803 -5.143 102 H ASP 15 HN ASP 15 8.190 4.345 -3.313 103 HA ASP 15 HA ASP 15 6.367 3.082 -2.684 104 HB2 ASP 15 HB2 ASP 15 7.020 3.932 -0.261 105 HB3 ASP 15 HB1 ASP 15 5.588 4.934 -0.474 106 H CYS 16 HN CYS 16 6.536 5.627 -4.279 107 HA CYS 16 HA CYS 16 3.998 5.719 -5.316 108 HB2 CYS 16 HB2 CYS 16 4.267 7.321 -2.901 109 HB3 CYS 16 HB1 CYS 16 3.714 8.263 -4.280 110 H ASP 17 HN ASP 17 6.077 5.588 -6.670 111 HA ASP 17 HA ASP 17 7.320 8.102 -7.295 112 HB2 ASP 17 HB2 ASP 17 7.894 5.345 -7.708 113 HB3 ASP 17 HB1 ASP 17 7.885 6.136 -9.281 114 H CYS 18 HN CYS 18 7.454 8.923 -9.484 115 HA CYS 18 HA CYS 18 5.357 8.301 -11.360 116 HB2 CYS 18 HB2 CYS 18 5.062 10.477 -9.450 117 HB3 CYS 18 HB1 CYS 18 5.023 11.064 -11.107 118 H GLY 19 HN GLY 19 6.175 8.588 -13.351 119 HA2 GLY 19 HA2 GLY 19 8.719 9.177 -14.014 120 HA3 GLY 19 HA1 GLY 19 7.381 9.526 -15.095 121 H SER 20 HN SER 20 6.169 11.652 -14.314 122 HA SER 20 HA SER 20 8.135 13.677 -13.531 123 HB2 SER 20 HB2 SER 20 6.719 13.481 -16.139 124 HB3 SER 20 HB1 SER 20 6.849 15.086 -15.420 125 HG SER 20 HG SER 20 9.054 14.920 -15.460 126 HA PRO 21 HA PRO 21 4.953 15.151 -10.850 127 HB2 PRO 21 HB2 PRO 21 5.827 17.866 -11.717 128 HB3 PRO 21 HB1 PRO 21 5.648 17.209 -10.086 129 HG2 PRO 21 HG2 PRO 21 8.062 17.522 -11.166 130 HG3 PRO 21 HG1 PRO 21 7.688 16.109 -10.161 131 HD2 PRO 21 HD2 PRO 21 7.945 16.313 -13.127 132 HD3 PRO 21 HD1 PRO 21 8.397 14.983 -12.042 133 H ALA 22 HN ALA 22 5.294 16.573 -14.060 134 HA ALA 22 HA ALA 22 2.546 17.503 -14.082 135 HB1 ALA 22 HB1 ALA 22 3.098 18.241 -16.397 136 HB2 ALA 22 HB2 ALA 22 4.717 17.581 -16.171 137 HB3 ALA 22 HB3 ALA 22 4.158 18.911 -15.158 138 H ASN 23 HN ASN 23 4.399 14.779 -15.165 139 HA ASN 23 HA ASN 23 2.085 13.759 -16.666 140 HB2 ASN 23 HB2 ASN 23 4.629 13.933 -17.542 141 HB3 ASN 23 HB1 ASN 23 4.681 12.333 -16.809 142 HD21 ASN 23 HD21 ASN 23 4.892 13.081 -19.601 143 HD22 ASN 23 HD22 ASN 23 3.616 12.257 -20.424 144 H CYS 24 HN CYS 24 2.604 13.754 -13.695 145 HA CYS 24 HA CYS 24 3.160 11.102 -12.893 146 HB2 CYS 24 HB2 CYS 24 3.416 12.973 -11.352 147 HB3 CYS 24 HB1 CYS 24 1.690 13.310 -11.444 148 H GLN 25 HN GLN 25 1.888 9.775 -14.164 149 HA GLN 25 HA GLN 25 -0.963 10.011 -14.229 150 HB2 GLN 25 HB2 GLN 25 1.072 8.310 -15.444 151 HB3 GLN 25 HB1 GLN 25 -0.383 7.421 -15.013 152 HG2 GLN 25 HG2 GLN 25 -1.722 9.068 -16.261 153 HG3 GLN 25 HG1 GLN 25 -0.229 9.868 -16.752 154 HE21 GLN 25 HE21 GLN 25 0.437 9.347 -18.698 155 HE22 GLN 25 HE22 GLN 25 0.176 7.841 -19.503 156 H ASP 26 HN ASP 26 -0.374 10.071 -11.601 157 HA ASP 26 HA ASP 26 -1.653 7.641 -10.652 158 HB2 ASP 26 HB2 ASP 26 1.078 7.875 -10.391 159 HB3 ASP 26 HB1 ASP 26 0.497 8.505 -8.853 160 H ARG 27 HN ARG 27 -3.477 8.770 -10.147 161 HA ARG 27 HA ARG 27 -3.544 11.291 -8.904 162 HB2 ARG 27 HB2 ARG 27 -5.900 10.888 -8.570 163 HB3 ARG 27 HB1 ARG 27 -5.428 10.285 -10.153 164 HG2 ARG 27 HG2 ARG 27 -5.123 8.043 -8.719 165 HG3 ARG 27 HG1 ARG 27 -6.393 8.829 -7.778 166 HD2 ARG 27 HD2 ARG 27 -7.378 7.397 -9.463 167 HD3 ARG 27 HD1 ARG 27 -7.723 9.086 -9.831 168 HE ARG 27 HE ARG 27 -5.381 8.144 -11.164 169 HH11 ARG 27 HH11 ARG 27 -8.868 8.182 -11.302 170 HH12 ARG 27 HH12 ARG 27 -8.926 7.975 -13.021 171 HH21 ARG 27 HH21 ARG 27 -5.456 7.872 -13.424 172 HH22 ARG 27 HH22 ARG 27 -6.990 7.799 -14.225 173 H CYS 28 HN CYS 28 -2.837 8.211 -7.614 174 HA CYS 28 HA CYS 28 -3.496 9.077 -4.891 175 HB2 CYS 28 HB2 CYS 28 -4.094 6.741 -5.964 176 HB3 CYS 28 HB1 CYS 28 -2.442 6.348 -5.501 177 H CYS 29 HN CYS 29 -0.839 8.621 -7.026 178 HA CYS 29 HA CYS 29 1.032 8.922 -4.767 179 HB2 CYS 29 HB2 CYS 29 1.379 7.524 -7.416 180 HB3 CYS 29 HB1 CYS 29 2.739 7.948 -6.383 181 H ASN 30 HN ASN 30 2.547 10.529 -4.833 182 HA ASN 30 HA ASN 30 2.328 12.399 -7.104 183 HB2 ASN 30 HB2 ASN 30 1.520 13.469 -5.132 184 HB3 ASN 30 HB1 ASN 30 2.888 12.905 -4.182 185 HD21 ASN 30 HD21 ASN 30 3.625 14.867 -3.541 186 HD22 ASN 30 HD22 ASN 30 4.277 16.049 -4.617 187 H ALA 31 HN ALA 31 4.070 12.865 -8.268 188 HA ALA 31 HA ALA 31 6.531 11.466 -7.811 189 HB1 ALA 31 HB1 ALA 31 6.756 11.767 -10.000 190 HB2 ALA 31 HB2 ALA 31 6.802 13.517 -9.791 191 HB3 ALA 31 HB3 ALA 31 5.256 12.694 -10.001 192 H ALA 32 HN ALA 32 5.472 14.834 -7.650 193 HA ALA 32 HA ALA 32 7.908 16.077 -7.175 194 HB1 ALA 32 HB1 ALA 32 5.124 16.749 -6.265 195 HB2 ALA 32 HB2 ALA 32 6.038 17.445 -7.603 196 HB3 ALA 32 HB3 ALA 32 6.508 17.794 -5.939 197 H THR 33 HN THR 33 6.171 13.917 -5.171 198 HA THR 33 HA THR 33 7.872 14.630 -2.874 199 HB THR 33 HB THR 33 5.363 14.959 -2.604 200 HG1 THR 33 HG1 THR 33 6.719 14.681 -0.803 201 HG21 THR 33 HG21 THR 33 5.214 11.983 -2.297 202 HG22 THR 33 HG22 THR 33 4.826 12.767 -3.826 203 HG23 THR 33 HG23 THR 33 3.904 13.162 -2.376 204 H CYS 34 HN CYS 34 6.704 12.161 -5.014 205 HA CYS 34 HA CYS 34 7.255 9.985 -5.311 206 HB2 CYS 34 HB2 CYS 34 9.673 11.193 -4.129 207 HB3 CYS 34 HB1 CYS 34 9.552 9.450 -3.924 208 H LYS 35 HN LYS 35 5.375 10.474 -3.530 209 HA LYS 35 HA LYS 35 5.420 8.206 -1.830 210 HB2 LYS 35 HB2 LYS 35 5.973 9.021 0.193 211 HB3 LYS 35 HB1 LYS 35 6.726 10.329 -0.704 212 HG2 LYS 35 HG2 LYS 35 4.703 11.676 -0.446 213 HG3 LYS 35 HG1 LYS 35 3.941 10.358 0.447 214 HD2 LYS 35 HD2 LYS 35 6.251 10.645 1.833 215 HD3 LYS 35 HD1 LYS 35 5.972 12.307 1.307 216 HE2 LYS 35 HE2 LYS 35 3.951 10.585 2.736 217 HE3 LYS 35 HE1 LYS 35 4.968 11.798 3.512 218 HZ1 LYS 35 HZ1 LYS 35 2.997 12.344 1.357 219 HZ2 LYS 35 HZ2 LYS 35 3.939 13.497 2.159 220 HZ3 LYS 35 HZ3 LYS 35 2.750 12.643 3.005 221 H LEU 36 HN LEU 36 3.398 8.060 -0.522 222 HA LEU 36 HA LEU 36 1.134 8.472 -2.031 223 HB2 LEU 36 HB2 LEU 36 1.593 7.984 0.878 224 HB3 LEU 36 HB1 LEU 36 -0.029 8.350 0.323 225 HG LEU 36 HG LEU 36 1.498 6.169 -1.033 226 HD11 LEU 36 HD11 LEU 36 0.168 5.980 1.660 227 HD12 LEU 36 HD12 LEU 36 1.832 5.571 1.243 228 HD13 LEU 36 HD13 LEU 36 0.503 4.585 0.634 229 HD21 LEU 36 HD21 LEU 36 -1.395 6.765 -0.460 230 HD22 LEU 36 HD22 LEU 36 -0.837 5.232 -1.128 231 HD23 LEU 36 HD23 LEU 36 -0.582 6.729 -2.024 232 H THR 37 HN THR 37 0.091 10.227 -2.637 233 HA THR 37 HA THR 37 0.665 12.814 -1.747 234 HB THR 37 HB THR 37 -1.113 13.548 -3.134 235 HG1 THR 37 HG1 THR 37 -2.944 12.575 -2.950 236 HG21 THR 37 HG21 THR 37 0.700 11.739 -4.133 237 HG22 THR 37 HG22 THR 37 -0.359 12.787 -5.076 238 HG23 THR 37 HG23 THR 37 -0.851 11.133 -4.713 239 HA PRO 38 HA PRO 38 -1.539 13.520 1.994 240 HB2 PRO 38 HB2 PRO 38 -2.923 15.852 1.343 241 HB3 PRO 38 HB1 PRO 38 -1.274 15.776 1.969 242 HG2 PRO 38 HG2 PRO 38 -2.223 16.075 -0.844 243 HG3 PRO 38 HG1 PRO 38 -0.831 16.824 -0.041 244 HD2 PRO 38 HD2 PRO 38 -0.520 14.772 -1.729 245 HD3 PRO 38 HD1 PRO 38 0.482 14.921 -0.270 246 H GLY 39 HN GLY 39 -3.163 12.195 2.498 247 HA2 GLY 39 HA2 GLY 39 -5.626 12.170 2.729 248 HA3 GLY 39 HA1 GLY 39 -5.696 12.477 1.000 249 H SER 40 HN SER 40 -3.415 10.604 0.545 250 HA SER 40 HA SER 40 -4.978 8.123 0.719 251 HB2 SER 40 HB2 SER 40 -3.250 7.407 -1.104 252 HB3 SER 40 HB1 SER 40 -4.575 8.482 -1.550 253 HG SER 40 HG SER 40 -2.794 9.451 -2.348 254 H GLN 41 HN GLN 41 -4.207 6.387 1.776 255 HA GLN 41 HA GLN 41 -1.513 6.611 2.948 256 HB2 GLN 41 HB2 GLN 41 -4.047 5.375 4.004 257 HB3 GLN 41 HB1 GLN 41 -2.471 4.987 4.681 258 HG2 GLN 41 HG2 GLN 41 -2.329 7.654 4.769 259 HG3 GLN 41 HG1 GLN 41 -4.076 7.454 4.895 260 HE21 GLN 41 HE21 GLN 41 -4.748 5.742 6.518 261 HE22 GLN 41 HE22 GLN 41 -3.913 5.751 8.031 262 H CYS 42 HN CYS 42 -3.680 4.626 1.105 263 HA CYS 42 HA CYS 42 -1.542 2.622 0.805 264 HB2 CYS 42 HB2 CYS 42 -3.825 2.092 2.150 265 HB3 CYS 42 HB1 CYS 42 -4.301 1.649 0.514 266 H ASN 43 HN ASN 43 -0.799 3.098 -1.171 267 HA ASN 43 HA ASN 43 -2.691 3.615 -3.342 268 HB2 ASN 43 HB2 ASN 43 -0.571 4.147 -4.628 269 HB3 ASN 43 HB1 ASN 43 -0.931 5.210 -3.269 270 HD21 ASN 43 HD21 ASN 43 1.458 3.570 -4.773 271 HD22 ASN 43 HD22 ASN 43 2.567 3.388 -3.461 272 H TYR 44 HN TYR 44 -1.172 0.994 -1.986 273 HA TYR 44 HA TYR 44 -1.940 -0.803 -3.970 274 HB2 TYR 44 HB2 TYR 44 -0.168 -1.122 -5.349 275 HB3 TYR 44 HB1 TYR 44 0.256 0.518 -4.877 276 HD1 TYR 44 HD2 TYR 44 0.836 -3.035 -3.956 277 HD2 TYR 44 HD1 TYR 44 2.329 0.944 -3.898 278 HE1 TYR 44 HE2 TYR 44 2.965 -3.860 -3.076 279 HE2 TYR 44 HE1 TYR 44 4.474 0.134 -3.020 280 HH TYR 44 HH TYR 44 5.678 -2.483 -3.225 281 H GLY 45 HN GLY 45 -2.109 -2.734 -3.023 282 HA2 GLY 45 HA2 GLY 45 -0.648 -4.360 -1.632 283 HA3 GLY 45 HA1 GLY 45 -0.783 -3.086 -0.428 284 H GLU 46 HN GLU 46 -1.646 -5.560 0.228 285 HA GLU 46 HA GLU 46 -4.275 -6.251 -0.351 286 HB2 GLU 46 HB2 GLU 46 -2.421 -6.779 1.926 287 HB3 GLU 46 HB1 GLU 46 -4.104 -7.268 2.068 288 HG2 GLU 46 HG2 GLU 46 -2.624 -9.070 1.270 289 HG3 GLU 46 HG1 GLU 46 -3.921 -8.681 0.141 290 H CYS 47 HN CYS 47 -3.047 -4.232 2.301 291 HA CYS 47 HA CYS 47 -5.581 -3.842 3.509 292 HB2 CYS 47 HB2 CYS 47 -2.856 -2.725 3.827 293 HB3 CYS 47 HB1 CYS 47 -4.187 -1.783 4.487 294 H CYS 48 HN CYS 48 -4.177 -2.359 0.739 295 HA CYS 48 HA CYS 48 -5.350 0.191 0.995 296 HB2 CYS 48 HB2 CYS 48 -4.743 -1.102 -1.647 297 HB3 CYS 48 HB1 CYS 48 -4.654 0.600 -1.202 298 H ASP 49 HN ASP 49 -7.149 1.087 0.263 299 HA ASP 49 HA ASP 49 -9.059 -0.179 -1.414 300 HB2 ASP 49 HB2 ASP 49 -9.205 -0.890 1.313 301 HB3 ASP 49 HB1 ASP 49 -10.500 0.274 1.050 302 H GLN 50 HN GLN 50 -9.432 1.620 -2.573 303 HA GLN 50 HA GLN 50 -10.147 3.715 -3.118 304 HB2 GLN 50 HB2 GLN 50 -11.864 3.013 -1.208 305 HB3 GLN 50 HB1 GLN 50 -11.047 4.303 -0.336 306 HG2 GLN 50 HG2 GLN 50 -11.517 5.734 -2.409 307 HG3 GLN 50 HG1 GLN 50 -12.662 4.468 -2.850 308 HE21 GLN 50 HE21 GLN 50 -14.278 3.909 -1.175 309 HE22 GLN 50 HE22 GLN 50 -14.922 5.191 -0.212 310 H CYS 51 HN CYS 51 -7.499 3.223 -2.173 311 HA CYS 51 HA CYS 51 -5.594 4.353 -1.707 312 HB2 CYS 51 HB2 CYS 51 -7.486 6.629 -2.167 313 HB3 CYS 51 HB1 CYS 51 -5.865 6.950 -1.559 314 H ARG 52 HN ARG 52 -7.458 3.429 0.418 315 HA ARG 52 HA ARG 52 -6.211 4.917 2.614 316 HB2 ARG 52 HB2 ARG 52 -9.137 4.505 2.164 317 HB3 ARG 52 HB1 ARG 52 -8.526 4.488 3.813 318 HG2 ARG 52 HG2 ARG 52 -7.641 6.740 2.130 319 HG3 ARG 52 HG1 ARG 52 -9.354 6.704 2.554 320 HD2 ARG 52 HD2 ARG 52 -8.957 7.081 4.752 321 HD3 ARG 52 HD1 ARG 52 -7.448 6.170 4.745 322 HE ARG 52 HE ARG 52 -6.865 8.387 3.294 323 HH11 ARG 52 HH11 ARG 52 -8.216 7.869 6.470 324 HH12 ARG 52 HH12 ARG 52 -7.571 9.338 7.121 325 HH21 ARG 52 HH21 ARG 52 -6.016 10.320 4.148 326 HH22 ARG 52 HH22 ARG 52 -6.322 10.730 5.803 327 H PHE 53 HN PHE 53 -5.643 3.661 4.375 328 HA PHE 53 HA PHE 53 -5.286 0.912 3.948 329 HB2 PHE 53 HB2 PHE 53 -5.109 2.576 6.458 330 HB3 PHE 53 HB1 PHE 53 -4.771 0.846 6.448 331 HD1 PHE 53 HD1 PHE 53 -3.473 0.791 3.693 332 HD2 PHE 53 HD2 PHE 53 -2.941 3.323 7.067 333 HE1 PHE 53 HE1 PHE 53 -1.179 1.225 2.990 334 HE2 PHE 53 HE2 PHE 53 -0.625 3.768 6.367 335 HZ PHE 53 HZ PHE 53 0.265 2.719 4.323 336 H LYS 54 HN LYS 54 -6.354 -0.869 4.561 337 HA LYS 54 HA LYS 54 -9.144 -0.684 4.984 338 HB2 LYS 54 HB2 LYS 54 -7.152 -2.816 4.700 339 HB3 LYS 54 HB1 LYS 54 -8.486 -3.245 5.761 340 HG2 LYS 54 HG2 LYS 54 -10.033 -3.177 4.078 341 HG3 LYS 54 HG1 LYS 54 -9.107 -2.015 3.127 342 HD2 LYS 54 HD2 LYS 54 -7.503 -4.310 3.308 343 HD3 LYS 54 HD1 LYS 54 -9.135 -4.889 2.977 344 HE2 LYS 54 HE2 LYS 54 -9.028 -2.871 1.224 345 HE3 LYS 54 HE1 LYS 54 -7.313 -3.269 1.301 346 HZ1 LYS 54 HZ1 LYS 54 -8.885 -4.462 -0.383 347 HZ2 LYS 54 HZ2 LYS 54 -9.248 -5.444 0.945 348 HZ3 LYS 54 HZ3 LYS 54 -7.653 -5.323 0.395 349 H LYS 55 HN LYS 55 -9.777 0.356 6.805 350 HA LYS 55 HA LYS 55 -8.792 0.729 9.216 351 HB2 LYS 55 HB2 LYS 55 -11.085 1.360 8.575 352 HB3 LYS 55 HB1 LYS 55 -11.600 -0.306 8.798 353 HG2 LYS 55 HG2 LYS 55 -11.624 -0.146 11.052 354 HG3 LYS 55 HG1 LYS 55 -10.265 0.978 11.097 355 HD2 LYS 55 HD2 LYS 55 -12.001 2.604 9.967 356 HD3 LYS 55 HD1 LYS 55 -13.172 1.520 10.722 357 HE2 LYS 55 HE2 LYS 55 -12.912 2.968 12.447 358 HE3 LYS 55 HE1 LYS 55 -11.559 1.897 12.810 359 HZ1 LYS 55 HZ1 LYS 55 -10.565 3.943 12.895 360 HZ2 LYS 55 HZ2 LYS 55 -11.530 4.605 11.674 361 HZ3 LYS 55 HZ3 LYS 55 -10.279 3.539 11.277 362 H ALA 56 HN ALA 56 -7.973 -0.362 10.881 363 HA ALA 56 HA ALA 56 -7.305 -2.966 10.920 364 HB1 ALA 56 HB1 ALA 56 -7.845 -1.046 13.119 365 HB2 ALA 56 HB2 ALA 56 -6.345 -1.853 12.661 366 HB3 ALA 56 HB3 ALA 56 -7.597 -2.745 13.528 367 H GLY 57 HN GLY 57 -8.250 -4.876 11.152 368 HA2 GLY 57 HA2 GLY 57 -9.930 -6.241 12.328 369 HA3 GLY 57 HA1 GLY 57 -11.053 -4.904 12.114 370 H THR 58 HN THR 58 -9.567 -4.717 9.338 371 HA THR 58 HA THR 58 -11.577 -6.212 7.916 372 HB THR 58 HB THR 58 -9.206 -4.612 6.918 373 HG1 THR 58 HG1 THR 58 -10.450 -3.006 7.393 374 HG21 THR 58 HG21 THR 58 -10.736 -6.411 5.477 375 HG22 THR 58 HG22 THR 58 -9.710 -5.124 4.834 376 HG23 THR 58 HG23 THR 58 -11.428 -4.830 5.104 377 H VAL 59 HN VAL 59 -11.371 -8.303 7.400 378 HA VAL 59 HA VAL 59 -8.842 -9.625 7.716 379 HB VAL 59 HB VAL 59 -10.918 -10.743 8.399 380 HG11 VAL 59 HG11 VAL 59 -12.034 -9.755 6.160 381 HG12 VAL 59 HG12 VAL 59 -12.698 -11.115 7.067 382 HG13 VAL 59 HG13 VAL 59 -11.705 -11.408 5.640 383 HG21 VAL 59 HG21 VAL 59 -9.334 -12.064 6.209 384 HG22 VAL 59 HG22 VAL 59 -10.515 -12.923 7.198 385 HG23 VAL 59 HG23 VAL 59 -9.098 -12.194 7.952 386 H CYS 60 HN CYS 60 -7.334 -9.763 6.193 387 HA CYS 60 HA CYS 60 -8.152 -9.489 3.382 388 HB2 CYS 60 HB2 CYS 60 -5.340 -9.305 4.446 389 HB3 CYS 60 HB1 CYS 60 -5.935 -8.777 2.878 390 H ARG 61 HN ARG 61 -6.740 -11.698 5.639 391 HA ARG 61 HA ARG 61 -6.654 -13.753 3.570 392 HB2 ARG 61 HB2 ARG 61 -4.312 -12.483 4.400 393 HB3 ARG 61 HB1 ARG 61 -4.323 -13.999 5.289 394 HG2 ARG 61 HG2 ARG 61 -4.942 -14.935 2.872 395 HG3 ARG 61 HG1 ARG 61 -4.050 -13.495 2.388 396 HD2 ARG 61 HD2 ARG 61 -3.110 -15.953 3.771 397 HD3 ARG 61 HD1 ARG 61 -2.337 -15.010 2.501 398 HE ARG 61 HE ARG 61 -1.825 -14.807 5.247 399 HH11 ARG 61 HH11 ARG 61 -2.319 -12.748 2.469 400 HH12 ARG 61 HH12 ARG 61 -1.413 -11.431 3.132 401 HH21 ARG 61 HH21 ARG 61 -0.639 -13.078 6.116 402 HH22 ARG 61 HH22 ARG 61 -0.455 -11.619 5.199 403 H ILE 62 HN ILE 62 -5.781 -15.889 4.788 404 HA ILE 62 HA ILE 62 -6.352 -16.276 7.487 405 HB ILE 62 HB ILE 62 -8.649 -15.790 7.031 406 HG12 ILE 62 HG12 ILE 62 -9.732 -17.931 7.645 407 HG13 ILE 62 HG11 ILE 62 -8.242 -18.780 7.247 408 HG21 ILE 62 HG21 ILE 62 -9.238 -16.008 4.877 409 HG22 ILE 62 HG22 ILE 62 -9.724 -17.631 5.367 410 HG23 ILE 62 HG23 ILE 62 -8.151 -17.372 4.612 411 HD11 ILE 62 HD11 ILE 62 -7.124 -17.330 8.996 412 HD12 ILE 62 HD12 ILE 62 -8.250 -18.556 9.578 413 HD13 ILE 62 HD13 ILE 62 -8.749 -16.866 9.497 414 H ALA 63 HN ALA 63 -5.561 -18.182 8.089 415 HA ALA 63 HA ALA 63 -4.163 -19.802 6.301 416 HB1 ALA 63 HB1 ALA 63 -4.431 -19.613 9.084 417 HB2 ALA 63 HB2 ALA 63 -3.268 -20.575 8.173 418 HB3 ALA 63 HB3 ALA 63 -4.806 -21.284 8.663 419 H ARG 64 HN ARG 64 -6.753 -21.119 8.333 420 HA ARG 64 HA ARG 64 -8.401 -21.982 6.222 421 HB2 ARG 64 HB2 ARG 64 -6.170 -23.439 6.127 422 HB3 ARG 64 HB1 ARG 64 -7.026 -24.366 7.352 423 HG2 ARG 64 HG2 ARG 64 -7.727 -25.457 5.487 424 HG3 ARG 64 HG1 ARG 64 -8.986 -24.225 5.591 425 HD2 ARG 64 HD2 ARG 64 -7.446 -22.821 4.088 426 HD3 ARG 64 HD1 ARG 64 -6.606 -24.337 3.767 427 HE ARG 64 HE ARG 64 -9.448 -24.482 3.365 428 HH11 ARG 64 HH11 ARG 64 -6.390 -23.664 1.897 429 HH12 ARG 64 HH12 ARG 64 -6.958 -23.910 0.280 430 HH21 ARG 64 HH21 ARG 64 -10.197 -24.807 1.239 431 HH22 ARG 64 HH22 ARG 64 -9.119 -24.559 -0.094 432 H GLY 65 HN GLY 65 -9.581 -20.914 8.065 433 HA2 GLY 65 HA2 GLY 65 -11.442 -22.361 9.248 434 HA3 GLY 65 HA1 GLY 65 -10.095 -22.692 10.327 435 H ASP 66 HN ASP 66 -9.894 -21.416 12.022 436 HA ASP 66 HA ASP 66 -10.260 -18.606 11.942 437 HB2 ASP 66 HB2 ASP 66 -12.534 -20.297 12.839 438 HB3 ASP 66 HB1 ASP 66 -12.167 -18.875 13.811 439 H TRP 67 HN TRP 67 -8.166 -18.856 12.834 440 HA TRP 67 HA TRP 67 -8.154 -19.606 15.685 441 HB2 TRP 67 HB2 TRP 67 -5.502 -19.666 14.746 442 HB3 TRP 67 HB1 TRP 67 -6.504 -21.042 15.186 443 HD1 TRP 67 HD1 TRP 67 -5.814 -18.881 12.023 444 HE1 TRP 67 HE1 TRP 67 -6.003 -20.411 9.978 445 HE3 TRP 67 HE3 TRP 67 -7.177 -23.199 14.375 446 HZ2 TRP 67 HZ2 TRP 67 -6.633 -23.105 9.423 447 HZ3 TRP 67 HZ3 TRP 67 -7.553 -25.218 13.014 448 HH2 TRP 67 HH2 TRP 67 -7.286 -25.169 10.587 449 H ASN 68 HN ASN 68 -6.018 -17.858 13.483 450 HA ASN 68 HA ASN 68 -5.948 -15.621 15.400 451 HB2 ASN 68 HB2 ASN 68 -3.845 -16.043 13.308 452 HB3 ASN 68 HB1 ASN 68 -3.724 -15.201 14.848 453 HD21 ASN 68 HD21 ASN 68 -4.080 -18.391 13.393 454 HD22 ASN 68 HD22 ASN 68 -3.288 -19.258 14.660 455 H ASP 69 HN ASP 69 -6.358 -16.588 12.078 456 HA ASP 69 HA ASP 69 -7.194 -15.517 10.256 457 HB2 ASP 69 HB2 ASP 69 -8.192 -13.832 12.499 458 HB3 ASP 69 HB1 ASP 69 -8.366 -13.241 10.851 459 H ASP 70 HN ASP 70 -7.144 -13.383 9.053 460 HA ASP 70 HA ASP 70 -4.612 -11.995 9.593 461 HB2 ASP 70 HB2 ASP 70 -4.528 -13.461 7.565 462 HB3 ASP 70 HB1 ASP 70 -5.838 -12.511 6.883 463 H TYR 71 HN TYR 71 -4.942 -9.950 10.151 464 HA TYR 71 HA TYR 71 -7.225 -8.559 8.932 465 HB2 TYR 71 HB2 TYR 71 -6.504 -8.780 11.831 466 HB3 TYR 71 HB1 TYR 71 -7.479 -7.447 11.220 467 HD1 TYR 71 HD1 TYR 71 -9.577 -7.998 9.970 468 HD2 TYR 71 HD2 TYR 71 -7.496 -10.855 12.313 469 HE1 TYR 71 HE1 TYR 71 -11.611 -9.345 10.084 470 HE2 TYR 71 HE2 TYR 71 -9.515 -12.240 12.446 471 HH TYR 71 HH TYR 71 -11.631 -12.553 11.080 472 H CYS 72 HN CYS 72 -7.029 -6.463 8.494 473 HA CYS 72 HA CYS 72 -4.429 -5.358 8.216 474 HB2 CYS 72 HB2 CYS 72 -6.487 -4.892 6.780 475 HB3 CYS 72 HB1 CYS 72 -7.032 -3.840 8.080 476 H THR 73 HN THR 73 -3.796 -3.224 9.132 477 HA THR 73 HA THR 73 -4.773 -2.925 11.896 478 HB THR 73 HB THR 73 -2.597 -2.559 12.685 479 HG1 THR 73 HG1 THR 73 -0.858 -2.121 11.331 480 HG21 THR 73 HG21 THR 73 -3.089 -4.925 11.494 481 HG22 THR 73 HG22 THR 73 -1.618 -4.552 12.394 482 HG23 THR 73 HG23 THR 73 -1.633 -4.422 10.635 483 H GLY 74 HN GLY 74 -5.178 -1.508 9.120 484 HA2 GLY 74 HA2 GLY 74 -5.506 0.633 8.360 485 HA3 GLY 74 HA1 GLY 74 -5.939 0.971 10.028 486 H LYS 75 HN LYS 75 -2.723 -0.093 9.231 487 HA LYS 75 HA LYS 75 -1.742 2.666 9.401 488 HB2 LYS 75 HB2 LYS 75 -0.821 0.344 11.092 489 HB3 LYS 75 HB1 LYS 75 0.092 1.837 10.919 490 HG2 LYS 75 HG2 LYS 75 -2.142 2.953 11.678 491 HG3 LYS 75 HG1 LYS 75 -2.491 1.346 12.319 492 HD2 LYS 75 HD2 LYS 75 0.041 1.700 13.205 493 HD3 LYS 75 HD1 LYS 75 -0.544 3.365 13.217 494 HE2 LYS 75 HE2 LYS 75 -1.021 2.481 15.358 495 HE3 LYS 75 HE1 LYS 75 -2.554 2.522 14.487 496 HZ1 LYS 75 HZ1 LYS 75 -1.678 0.391 15.801 497 HZ2 LYS 75 HZ2 LYS 75 -1.028 0.057 14.276 498 HZ3 LYS 75 HZ3 LYS 75 -2.694 0.288 14.451 499 H SER 76 HN SER 76 -1.844 0.045 7.520 500 HA SER 76 HA SER 76 0.419 0.817 5.994 501 HB2 SER 76 HB2 SER 76 0.710 -1.466 7.873 502 HB3 SER 76 HB1 SER 76 1.382 -1.667 6.256 503 HG SER 76 HG SER 76 2.710 0.058 6.591 504 H SER 77 HN SER 77 0.862 -0.843 4.207 505 HA SER 77 HA SER 77 -1.704 -1.602 3.067 506 HB2 SER 77 HB2 SER 77 -0.606 -1.685 0.987 507 HB3 SER 77 HB1 SER 77 0.191 -0.358 1.832 508 HG SER 77 HG SER 77 1.958 -1.425 1.493 509 H ASP 78 HN ASP 78 0.027 -3.099 5.232 510 HA ASP 78 HA ASP 78 -0.046 -5.724 3.900 511 HB2 ASP 78 HB2 ASP 78 1.576 -4.818 6.286 512 HB3 ASP 78 HB1 ASP 78 1.549 -6.463 5.657 513 H CYS 79 HN CYS 79 -1.071 -7.427 4.839 514 HA CYS 79 HA CYS 79 -2.730 -6.831 7.207 515 HB2 CYS 79 HB2 CYS 79 -3.513 -7.596 4.592 516 HB3 CYS 79 HB1 CYS 79 -3.811 -8.980 5.638 517 HA PRO 80 HA PRO 80 -0.028 -10.242 8.603 518 HB2 PRO 80 HB2 PRO 80 -0.541 -9.880 11.252 519 HB3 PRO 80 HB1 PRO 80 0.653 -8.934 10.357 520 HG2 PRO 80 HG2 PRO 80 -2.164 -8.224 11.085 521 HG3 PRO 80 HG1 PRO 80 -0.700 -7.226 11.174 522 HD2 PRO 80 HD2 PRO 80 -2.464 -6.994 9.152 523 HD3 PRO 80 HD1 PRO 80 -0.721 -6.770 8.908 524 H TRP 81 HN TRP 81 -0.651 -12.286 8.651 525 HA TRP 81 HA TRP 81 -3.397 -12.956 9.351 526 HB2 TRP 81 HB2 TRP 81 -2.993 -15.097 8.262 527 HB3 TRP 81 HB1 TRP 81 -2.613 -13.752 7.198 528 HD1 TRP 81 HD1 TRP 81 0.389 -13.530 8.911 529 HE1 TRP 81 HE1 TRP 81 2.220 -15.088 8.005 530 HE3 TRP 81 HE3 TRP 81 -2.552 -16.802 6.369 531 HZ2 TRP 81 HZ2 TRP 81 2.381 -17.412 6.406 532 HZ3 TRP 81 HZ3 TRP 81 -1.496 -18.681 5.171 533 HH2 TRP 81 HH2 TRP 81 0.929 -18.979 5.195 534 H ASN 82 HN ASN 82 -0.348 -13.093 10.690 535 HA ASN 82 HA ASN 82 0.530 -13.987 12.586 536 HB2 ASN 82 HB2 ASN 82 -1.973 -13.154 13.242 537 HB3 ASN 82 HB1 ASN 82 -2.071 -14.856 13.680 538 HD21 ASN 82 HD21 ASN 82 -1.548 -11.963 14.939 539 HD22 ASN 82 HD22 ASN 82 -0.445 -12.351 16.211 540 H HIS 83 HN HIS 83 0.448 -15.691 10.390 541 HA HIS 83 HA HIS 83 0.165 -18.292 11.729 542 HB2 HIS 83 HB2 HIS 83 -0.532 -17.787 8.831 543 HB3 HIS 83 HB1 HIS 83 -0.711 -19.300 9.714 544 HD1 HIS 83 HD1 HIS 83 -2.970 -17.383 8.300 545 HD2 HIS 83 HD2 HIS 83 -2.273 -18.009 12.345 546 HE1 HIS 83 HE1 HIS 83 -5.132 -16.813 9.452 547 HE2 HIS 83 HE2 HIS 83 -4.697 -17.249 11.894 Start of MODEL 37 1 H1 SER 1 HT1 SER 1 21.494 3.503 -11.195 2 H2 SER 1 HT2 SER 1 20.009 3.866 -11.976 3 H3 SER 1 HT3 SER 1 20.370 2.251 -11.521 4 HA SER 1 HA SER 1 20.357 2.883 -9.223 5 HB2 SER 1 HB2 SER 1 19.215 5.248 -8.913 6 HB3 SER 1 HB1 SER 1 20.961 5.118 -9.123 7 HG SER 1 HG SER 1 19.158 5.533 -11.269 8 HA PRO 2 HA PRO 2 16.263 1.343 -10.797 9 HB2 PRO 2 HB2 PRO 2 16.657 -0.220 -8.294 10 HB3 PRO 2 HB1 PRO 2 16.104 -0.757 -9.883 11 HG2 PRO 2 HG2 PRO 2 18.578 -1.292 -9.045 12 HG3 PRO 2 HG1 PRO 2 18.252 -0.880 -10.738 13 HD2 PRO 2 HD2 PRO 2 19.462 0.785 -8.579 14 HD3 PRO 2 HD1 PRO 2 19.826 0.748 -10.315 15 HA PRO 3 HA PRO 3 14.416 2.601 -6.508 16 HB2 PRO 3 HB2 PRO 3 16.103 3.654 -4.664 17 HB3 PRO 3 HB1 PRO 3 15.746 1.927 -4.763 18 HG2 PRO 3 HG2 PRO 3 18.113 3.441 -5.783 19 HG3 PRO 3 HG1 PRO 3 18.055 1.867 -4.970 20 HD2 PRO 3 HD2 PRO 3 18.323 2.132 -7.653 21 HD3 PRO 3 HD1 PRO 3 17.504 0.751 -6.901 22 H VAL 4 HN VAL 4 14.433 4.131 -8.637 23 HA VAL 4 HA VAL 4 15.018 6.851 -7.667 24 HB VAL 4 HB VAL 4 15.048 7.464 -10.146 25 HG11 VAL 4 HG11 VAL 4 17.116 7.688 -9.221 26 HG12 VAL 4 HG12 VAL 4 17.453 6.348 -10.317 27 HG13 VAL 4 HG13 VAL 4 17.145 6.034 -8.609 28 HG21 VAL 4 HG21 VAL 4 15.808 5.590 -11.624 29 HG22 VAL 4 HG22 VAL 4 14.123 5.497 -11.116 30 HG23 VAL 4 HG23 VAL 4 15.334 4.472 -10.346 31 H CYS 5 HN CYS 5 13.541 8.503 -8.174 32 HA CYS 5 HA CYS 5 10.795 7.609 -8.319 33 HB2 CYS 5 HB2 CYS 5 12.122 9.858 -7.256 34 HB3 CYS 5 HB1 CYS 5 11.123 10.480 -8.564 35 H GLY 6 HN GLY 6 10.726 6.704 -10.344 36 HA2 GLY 6 HA2 GLY 6 9.607 7.811 -12.442 37 HA3 GLY 6 HA1 GLY 6 11.256 8.382 -12.673 38 H ASN 7 HN ASN 7 10.628 5.324 -11.197 39 HA ASN 7 HA ASN 7 11.349 3.885 -13.653 40 HB2 ASN 7 HB2 ASN 7 13.317 4.082 -12.125 41 HB3 ASN 7 HB1 ASN 7 12.384 3.285 -10.858 42 HD21 ASN 7 HD21 ASN 7 14.393 1.908 -11.085 43 HD22 ASN 7 HD22 ASN 7 14.289 0.565 -12.168 44 H LYS 8 HN LYS 8 8.927 4.520 -11.840 45 HA LYS 8 HA LYS 8 6.976 3.519 -11.357 46 HB2 LYS 8 HB2 LYS 8 8.234 1.052 -12.574 47 HB3 LYS 8 HB1 LYS 8 6.552 1.178 -12.079 48 HG2 LYS 8 HG2 LYS 8 6.175 1.772 -14.195 49 HG3 LYS 8 HG1 LYS 8 6.810 3.347 -13.711 50 HD2 LYS 8 HD2 LYS 8 8.716 3.075 -14.879 51 HD3 LYS 8 HD1 LYS 8 8.852 1.368 -14.452 52 HE2 LYS 8 HE2 LYS 8 7.582 0.680 -16.237 53 HE3 LYS 8 HE1 LYS 8 6.706 2.207 -16.340 54 HZ1 LYS 8 HZ1 LYS 8 9.423 1.580 -17.319 55 HZ2 LYS 8 HZ2 LYS 8 8.925 3.177 -17.071 56 HZ3 LYS 8 HZ3 LYS 8 8.107 2.200 -18.183 57 H ILE 9 HN ILE 9 9.629 3.335 -9.816 58 HA ILE 9 HA ILE 9 8.783 1.371 -7.797 59 HB ILE 9 HB ILE 9 11.517 2.584 -8.278 60 HG12 ILE 9 HG12 ILE 9 11.054 -0.347 -8.357 61 HG13 ILE 9 HG11 ILE 9 10.403 0.585 -9.702 62 HG21 ILE 9 HG21 ILE 9 10.415 0.938 -6.055 63 HG22 ILE 9 HG22 ILE 9 11.561 2.279 -6.010 64 HG23 ILE 9 HG23 ILE 9 12.087 0.685 -6.555 65 HD11 ILE 9 HD11 ILE 9 12.510 -0.055 -10.426 66 HD12 ILE 9 HD12 ILE 9 13.249 0.246 -8.853 67 HD13 ILE 9 HD13 ILE 9 12.749 1.600 -9.867 68 H LEU 10 HN LEU 10 8.837 2.065 -5.589 69 HA LEU 10 HA LEU 10 7.984 4.762 -5.232 70 HB2 LEU 10 HB2 LEU 10 8.703 2.626 -3.233 71 HB3 LEU 10 HB1 LEU 10 8.004 4.175 -2.814 72 HG LEU 10 HG LEU 10 6.085 3.496 -4.399 73 HD11 LEU 10 HD11 LEU 10 6.003 0.821 -4.002 74 HD12 LEU 10 HD12 LEU 10 7.729 1.067 -4.274 75 HD13 LEU 10 HD13 LEU 10 6.562 1.588 -5.489 76 HD21 LEU 10 HD21 LEU 10 5.513 1.774 -2.304 77 HD22 LEU 10 HD22 LEU 10 5.184 3.506 -2.367 78 HD23 LEU 10 HD23 LEU 10 6.673 2.919 -1.627 79 H GLU 11 HN GLU 11 10.450 4.967 -6.377 80 HA GLU 11 HA GLU 11 12.628 5.645 -6.097 81 HB2 GLU 11 HB2 GLU 11 11.469 7.723 -5.925 82 HB3 GLU 11 HB1 GLU 11 11.010 7.400 -4.259 83 HG2 GLU 11 HG2 GLU 11 13.027 7.990 -3.437 84 HG3 GLU 11 HG1 GLU 11 13.891 7.446 -4.871 85 H GLN 12 HN GLN 12 12.845 3.425 -5.004 86 HA GLN 12 HA GLN 12 14.015 2.212 -3.478 87 HB2 GLN 12 HB2 GLN 12 15.206 4.655 -3.274 88 HB3 GLN 12 HB1 GLN 12 14.662 4.398 -1.625 89 HG2 GLN 12 HG2 GLN 12 15.966 2.066 -2.782 90 HG3 GLN 12 HG1 GLN 12 17.004 3.488 -2.699 91 HE21 GLN 12 HE21 GLN 12 15.775 0.867 -1.025 92 HE22 GLN 12 HE22 GLN 12 16.234 1.337 0.573 93 H GLY 13 HN GLY 13 12.890 4.755 -1.301 94 HA2 GLY 13 HA2 GLY 13 10.797 3.013 -0.251 95 HA3 GLY 13 HA1 GLY 13 12.089 3.449 0.863 96 H GLU 14 HN GLU 14 10.530 5.328 -1.668 97 HA GLU 14 HA GLU 14 10.238 7.593 0.071 98 HB2 GLU 14 HB2 GLU 14 9.938 6.986 -2.801 99 HB3 GLU 14 HB1 GLU 14 8.967 8.321 -2.190 100 HG2 GLU 14 HG2 GLU 14 11.943 8.070 -1.844 101 HG3 GLU 14 HG1 GLU 14 11.157 9.004 -3.117 102 H ASP 15 HN ASP 15 8.060 5.299 -1.491 103 HA ASP 15 HA ASP 15 6.010 4.548 -0.701 104 HB2 ASP 15 HB2 ASP 15 5.696 7.127 0.846 105 HB3 ASP 15 HB1 ASP 15 4.763 5.645 1.018 106 H CYS 16 HN CYS 16 6.696 5.852 -3.016 107 HA CYS 16 HA CYS 16 4.168 6.561 -4.044 108 HB2 CYS 16 HB2 CYS 16 5.299 8.670 -2.787 109 HB3 CYS 16 HB1 CYS 16 5.983 8.866 -4.393 110 H ASP 17 HN ASP 17 4.601 5.095 -5.644 111 HA ASP 17 HA ASP 17 6.992 5.578 -7.274 112 HB2 ASP 17 HB2 ASP 17 6.879 3.280 -7.946 113 HB3 ASP 17 HB1 ASP 17 6.712 3.346 -6.193 114 H CYS 18 HN CYS 18 6.794 6.421 -9.193 115 HA CYS 18 HA CYS 18 4.586 5.815 -10.936 116 HB2 CYS 18 HB2 CYS 18 4.886 8.510 -9.651 117 HB3 CYS 18 HB1 CYS 18 4.204 8.376 -11.265 118 H GLY 19 HN GLY 19 5.376 5.703 -12.949 119 HA2 GLY 19 HA2 GLY 19 8.022 6.056 -13.624 120 HA3 GLY 19 HA1 GLY 19 6.708 6.060 -14.789 121 H SER 20 HN SER 20 5.375 8.324 -14.359 122 HA SER 20 HA SER 20 7.338 10.501 -14.312 123 HB2 SER 20 HB2 SER 20 5.259 10.712 -16.414 124 HB3 SER 20 HB1 SER 20 6.946 11.228 -16.437 125 HG SER 20 HG SER 20 7.404 8.873 -16.532 126 HA PRO 21 HA PRO 21 4.472 12.595 -11.667 127 HB2 PRO 21 HB2 PRO 21 5.126 14.941 -13.401 128 HB3 PRO 21 HB1 PRO 21 5.107 14.818 -11.638 129 HG2 PRO 21 HG2 PRO 21 7.408 14.791 -12.977 130 HG3 PRO 21 HG1 PRO 21 7.166 13.759 -11.556 131 HD2 PRO 21 HD2 PRO 21 7.231 13.029 -14.438 132 HD3 PRO 21 HD1 PRO 21 7.712 12.080 -13.018 133 H ALA 22 HN ALA 22 4.325 13.099 -15.160 134 HA ALA 22 HA ALA 22 1.553 13.936 -15.065 135 HB1 ALA 22 HB1 ALA 22 1.839 13.819 -17.616 136 HB2 ALA 22 HB2 ALA 22 3.550 13.566 -17.272 137 HB3 ALA 22 HB3 ALA 22 2.752 15.043 -16.734 138 H ASN 23 HN ASN 23 3.375 11.034 -15.529 139 HA ASN 23 HA ASN 23 0.957 9.602 -16.392 140 HB2 ASN 23 HB2 ASN 23 3.864 9.189 -16.863 141 HB3 ASN 23 HB1 ASN 23 2.868 7.746 -16.700 142 HD21 ASN 23 HD21 ASN 23 1.097 7.471 -18.156 143 HD22 ASN 23 HD22 ASN 23 1.141 8.197 -19.723 144 H CYS 24 HN CYS 24 1.782 10.490 -13.632 145 HA CYS 24 HA CYS 24 2.510 8.206 -12.137 146 HB2 CYS 24 HB2 CYS 24 2.835 10.497 -11.306 147 HB3 CYS 24 HB1 CYS 24 1.090 10.718 -11.237 148 H GLN 25 HN GLN 25 1.160 6.547 -12.796 149 HA GLN 25 HA GLN 25 -1.672 6.702 -12.756 150 HB2 GLN 25 HB2 GLN 25 -1.622 4.282 -13.058 151 HB3 GLN 25 HB1 GLN 25 -0.467 5.069 -14.125 152 HG2 GLN 25 HG2 GLN 25 1.285 4.548 -12.366 153 HG3 GLN 25 HG1 GLN 25 0.078 3.494 -11.632 154 HE21 GLN 25 HE21 GLN 25 -0.311 1.533 -12.503 155 HE22 GLN 25 HE22 GLN 25 0.507 0.903 -13.888 156 H ASP 26 HN ASP 26 -1.074 7.765 -10.368 157 HA ASP 26 HA ASP 26 -2.308 5.893 -8.538 158 HB2 ASP 26 HB2 ASP 26 0.333 7.203 -7.850 159 HB3 ASP 26 HB1 ASP 26 -0.648 6.218 -6.769 160 H ARG 27 HN ARG 27 -4.075 7.195 -8.401 161 HA ARG 27 HA ARG 27 -4.125 9.968 -8.255 162 HB2 ARG 27 HB2 ARG 27 -6.097 8.582 -8.724 163 HB3 ARG 27 HB1 ARG 27 -6.093 8.012 -7.060 164 HG2 ARG 27 HG2 ARG 27 -6.845 10.021 -6.225 165 HG3 ARG 27 HG1 ARG 27 -6.252 10.939 -7.611 166 HD2 ARG 27 HD2 ARG 27 -8.089 10.486 -8.872 167 HD3 ARG 27 HD1 ARG 27 -8.338 8.903 -8.135 168 HE ARG 27 HE ARG 27 -9.800 9.885 -6.696 169 HH11 ARG 27 HH11 ARG 27 -7.644 12.352 -7.896 170 HH12 ARG 27 HH12 ARG 27 -8.464 13.642 -7.083 171 HH21 ARG 27 HH21 ARG 27 -10.881 11.580 -5.625 172 HH22 ARG 27 HH22 ARG 27 -10.302 13.204 -5.793 173 H CYS 28 HN CYS 28 -3.718 7.596 -5.683 174 HA CYS 28 HA CYS 28 -3.776 9.715 -3.675 175 HB2 CYS 28 HB2 CYS 28 -3.184 6.897 -2.921 176 HB3 CYS 28 HB1 CYS 28 -4.151 8.102 -2.084 177 H CYS 29 HN CYS 29 -1.575 9.382 -5.683 178 HA CYS 29 HA CYS 29 0.598 9.692 -3.807 179 HB2 CYS 29 HB2 CYS 29 0.986 7.423 -3.964 180 HB3 CYS 29 HB1 CYS 29 0.372 7.320 -5.606 181 H ASN 30 HN ASN 30 1.959 11.214 -4.480 182 HA ASN 30 HA ASN 30 1.838 12.009 -7.313 183 HB2 ASN 30 HB2 ASN 30 1.041 13.762 -5.824 184 HB3 ASN 30 HB1 ASN 30 2.510 13.652 -4.861 185 HD21 ASN 30 HD21 ASN 30 3.875 15.221 -5.229 186 HD22 ASN 30 HD22 ASN 30 4.123 16.038 -6.727 187 H ALA 31 HN ALA 31 3.577 11.522 -8.479 188 HA ALA 31 HA ALA 31 5.971 10.503 -7.344 189 HB1 ALA 31 HB1 ALA 31 4.806 10.490 -9.847 190 HB2 ALA 31 HB2 ALA 31 6.391 9.836 -9.432 191 HB3 ALA 31 HB3 ALA 31 6.252 11.474 -10.071 192 H ALA 32 HN ALA 32 5.052 13.629 -8.692 193 HA ALA 32 HA ALA 32 7.481 14.909 -8.864 194 HB1 ALA 32 HB1 ALA 32 4.694 15.718 -8.599 195 HB2 ALA 32 HB2 ALA 32 5.971 16.366 -9.628 196 HB3 ALA 32 HB3 ALA 32 5.832 16.901 -7.953 197 H THR 33 HN THR 33 5.811 13.915 -6.005 198 HA THR 33 HA THR 33 7.726 15.436 -4.361 199 HB THR 33 HB THR 33 5.267 15.957 -4.039 200 HG1 THR 33 HG1 THR 33 6.848 14.972 -1.917 201 HG21 THR 33 HG21 THR 33 4.410 13.652 -4.247 202 HG22 THR 33 HG22 THR 33 3.899 14.458 -2.764 203 HG23 THR 33 HG23 THR 33 5.190 13.257 -2.716 204 H CYS 34 HN CYS 34 6.632 12.366 -5.354 205 HA CYS 34 HA CYS 34 7.290 10.261 -4.880 206 HB2 CYS 34 HB2 CYS 34 9.520 11.639 -3.374 207 HB3 CYS 34 HB1 CYS 34 9.489 9.936 -3.819 208 H LYS 35 HN LYS 35 5.272 11.301 -3.357 209 HA LYS 35 HA LYS 35 5.394 9.596 -1.059 210 HB2 LYS 35 HB2 LYS 35 6.199 11.089 0.408 211 HB3 LYS 35 HB1 LYS 35 6.089 12.397 -0.758 212 HG2 LYS 35 HG2 LYS 35 3.892 12.937 -0.096 213 HG3 LYS 35 HG1 LYS 35 3.712 11.430 0.805 214 HD2 LYS 35 HD2 LYS 35 5.378 12.167 2.414 215 HD3 LYS 35 HD1 LYS 35 5.641 13.648 1.490 216 HE2 LYS 35 HE2 LYS 35 3.037 13.907 1.831 217 HE3 LYS 35 HE1 LYS 35 3.347 12.860 3.215 218 HZ1 LYS 35 HZ1 LYS 35 3.488 15.148 3.881 219 HZ2 LYS 35 HZ2 LYS 35 4.622 15.486 2.673 220 HZ3 LYS 35 HZ3 LYS 35 5.035 14.465 3.956 221 H LEU 36 HN LEU 36 3.339 9.334 -0.046 222 HA LEU 36 HA LEU 36 1.153 9.249 -1.686 223 HB2 LEU 36 HB2 LEU 36 1.253 9.544 1.313 224 HB3 LEU 36 HB1 LEU 36 -0.216 9.187 0.428 225 HG LEU 36 HG LEU 36 1.396 7.206 -0.494 226 HD11 LEU 36 HD11 LEU 36 2.292 6.379 1.876 227 HD12 LEU 36 HD12 LEU 36 2.480 8.118 2.102 228 HD13 LEU 36 HD13 LEU 36 3.282 7.312 0.754 229 HD21 LEU 36 HD21 LEU 36 -0.828 6.850 0.308 230 HD22 LEU 36 HD22 LEU 36 -0.347 7.236 1.961 231 HD23 LEU 36 HD23 LEU 36 0.255 5.770 1.186 232 H THR 37 HN THR 37 -0.304 10.651 -2.453 233 HA THR 37 HA THR 37 0.047 13.427 -2.207 234 HB THR 37 HB THR 37 -2.269 13.501 -3.299 235 HG1 THR 37 HG1 THR 37 -3.306 11.696 -3.017 236 HG21 THR 37 HG21 THR 37 -1.076 13.555 -5.154 237 HG22 THR 37 HG22 THR 37 -1.090 11.792 -5.188 238 HG23 THR 37 HG23 THR 37 0.224 12.649 -4.382 239 HA PRO 38 HA PRO 38 -2.104 14.852 1.357 240 HB2 PRO 38 HB2 PRO 38 -4.054 16.497 0.173 241 HB3 PRO 38 HB1 PRO 38 -2.443 16.993 0.696 242 HG2 PRO 38 HG2 PRO 38 -3.413 16.263 -2.023 243 HG3 PRO 38 HG1 PRO 38 -2.203 17.468 -1.544 244 HD2 PRO 38 HD2 PRO 38 -1.477 15.130 -2.620 245 HD3 PRO 38 HD1 PRO 38 -0.526 15.873 -1.316 246 H GLY 39 HN GLY 39 -3.333 13.432 2.417 247 HA2 GLY 39 HA2 GLY 39 -5.433 12.605 3.097 248 HA3 GLY 39 HA1 GLY 39 -6.078 12.999 1.511 249 H SER 40 HN SER 40 -3.105 11.430 1.271 250 HA SER 40 HA SER 40 -4.461 8.890 0.674 251 HB2 SER 40 HB2 SER 40 -1.818 9.926 -0.380 252 HB3 SER 40 HB1 SER 40 -2.612 8.427 -0.862 253 HG SER 40 HG SER 40 -3.726 11.018 -1.175 254 H GLN 41 HN GLN 41 -4.152 7.327 2.116 255 HA GLN 41 HA GLN 41 -1.661 7.348 3.687 256 HB2 GLN 41 HB2 GLN 41 -4.471 6.920 4.415 257 HB3 GLN 41 HB1 GLN 41 -3.367 5.731 5.094 258 HG2 GLN 41 HG2 GLN 41 -3.237 8.718 5.423 259 HG3 GLN 41 HG1 GLN 41 -3.660 7.526 6.652 260 HE21 GLN 41 HE21 GLN 41 -1.815 5.661 6.539 261 HE22 GLN 41 HE22 GLN 41 -0.230 6.297 6.797 262 H CYS 42 HN CYS 42 -2.486 5.940 1.028 263 HA CYS 42 HA CYS 42 -1.171 3.455 1.721 264 HB2 CYS 42 HB2 CYS 42 -2.866 2.022 0.721 265 HB3 CYS 42 HB1 CYS 42 -3.512 2.907 2.094 266 H ASN 43 HN ASN 43 -2.905 5.003 -0.971 267 HA ASN 43 HA ASN 43 -2.460 5.105 -3.195 268 HB2 ASN 43 HB2 ASN 43 -0.619 6.388 -3.665 269 HB3 ASN 43 HB1 ASN 43 -0.724 6.623 -1.926 270 HD21 ASN 43 HD21 ASN 43 1.113 5.365 -4.527 271 HD22 ASN 43 HD22 ASN 43 2.479 4.846 -3.606 272 H TYR 44 HN TYR 44 -1.854 2.410 -1.733 273 HA TYR 44 HA TYR 44 -1.597 0.702 -3.779 274 HB2 TYR 44 HB2 TYR 44 0.650 0.207 -4.252 275 HB3 TYR 44 HB1 TYR 44 0.631 1.961 -4.210 276 HD1 TYR 44 HD1 TYR 44 1.570 -1.065 -2.311 277 HD2 TYR 44 HD2 TYR 44 1.932 3.160 -2.616 278 HE1 TYR 44 HE1 TYR 44 3.366 -1.103 -0.632 279 HE2 TYR 44 HE2 TYR 44 3.728 3.136 -0.939 280 HH TYR 44 HH TYR 44 5.398 1.529 -0.053 281 H GLY 45 HN GLY 45 -0.839 -1.509 -3.127 282 HA2 GLY 45 HA2 GLY 45 -0.246 -3.077 -1.460 283 HA3 GLY 45 HA1 GLY 45 -0.499 -1.841 -0.241 284 H GLU 46 HN GLU 46 -1.448 -4.349 0.140 285 HA GLU 46 HA GLU 46 -4.075 -4.854 -0.712 286 HB2 GLU 46 HB2 GLU 46 -2.256 -5.840 1.393 287 HB3 GLU 46 HB1 GLU 46 -3.968 -6.068 1.717 288 HG2 GLU 46 HG2 GLU 46 -2.397 -7.106 -0.624 289 HG3 GLU 46 HG1 GLU 46 -3.139 -8.037 0.676 290 H CYS 47 HN CYS 47 -2.838 -3.295 2.219 291 HA CYS 47 HA CYS 47 -5.357 -2.868 3.413 292 HB2 CYS 47 HB2 CYS 47 -2.600 -1.831 3.847 293 HB3 CYS 47 HB1 CYS 47 -3.938 -1.019 4.648 294 H CYS 48 HN CYS 48 -3.942 -1.324 0.729 295 HA CYS 48 HA CYS 48 -4.907 1.293 1.142 296 HB2 CYS 48 HB2 CYS 48 -3.174 0.612 -0.559 297 HB3 CYS 48 HB1 CYS 48 -4.484 -0.050 -1.531 298 H ASP 49 HN ASP 49 -6.779 2.268 0.668 299 HA ASP 49 HA ASP 49 -8.797 1.195 -1.007 300 HB2 ASP 49 HB2 ASP 49 -8.803 -0.090 1.369 301 HB3 ASP 49 HB1 ASP 49 -9.826 1.286 1.774 302 H GLN 50 HN GLN 50 -9.416 3.060 -1.890 303 HA GLN 50 HA GLN 50 -10.185 5.188 -2.133 304 HB2 GLN 50 HB2 GLN 50 -10.949 4.991 0.785 305 HB3 GLN 50 HB1 GLN 50 -11.600 6.116 -0.399 306 HG2 GLN 50 HG2 GLN 50 -12.669 4.333 -1.592 307 HG3 GLN 50 HG1 GLN 50 -11.896 3.127 -0.564 308 HE21 GLN 50 HE21 GLN 50 -14.609 5.043 -1.033 309 HE22 GLN 50 HE22 GLN 50 -15.372 4.789 0.496 310 H CYS 51 HN CYS 51 -7.453 4.778 -1.474 311 HA CYS 51 HA CYS 51 -5.591 5.987 -0.992 312 HB2 CYS 51 HB2 CYS 51 -7.489 8.299 -0.550 313 HB3 CYS 51 HB1 CYS 51 -5.754 8.408 -0.824 314 H ARG 52 HN ARG 52 -7.096 4.577 1.095 315 HA ARG 52 HA ARG 52 -5.732 5.747 3.374 316 HB2 ARG 52 HB2 ARG 52 -8.681 5.714 3.064 317 HB3 ARG 52 HB1 ARG 52 -8.054 5.230 4.634 318 HG2 ARG 52 HG2 ARG 52 -7.009 7.730 3.420 319 HG3 ARG 52 HG1 ARG 52 -8.643 7.737 4.087 320 HD2 ARG 52 HD2 ARG 52 -7.920 7.462 6.228 321 HD3 ARG 52 HD1 ARG 52 -6.502 6.532 5.745 322 HE ARG 52 HE ARG 52 -5.961 9.023 4.829 323 HH11 ARG 52 HH11 ARG 52 -6.904 7.765 7.944 324 HH12 ARG 52 HH12 ARG 52 -6.069 8.995 8.833 325 HH21 ARG 52 HH21 ARG 52 -4.861 10.640 5.995 326 HH22 ARG 52 HH22 ARG 52 -4.909 10.627 7.727 327 H PHE 53 HN PHE 53 -5.146 4.242 4.909 328 HA PHE 53 HA PHE 53 -5.032 1.549 4.115 329 HB2 PHE 53 HB2 PHE 53 -4.478 2.928 6.731 330 HB3 PHE 53 HB1 PHE 53 -4.367 1.176 6.585 331 HD1 PHE 53 HD2 PHE 53 -3.286 1.167 3.722 332 HD2 PHE 53 HD1 PHE 53 -2.201 3.353 7.208 333 HE1 PHE 53 HE2 PHE 53 -1.000 1.385 2.864 334 HE2 PHE 53 HE1 PHE 53 0.097 3.576 6.353 335 HZ PHE 53 HZ PHE 53 0.702 2.591 4.178 336 H LYS 54 HN LYS 54 -6.181 -0.228 4.632 337 HA LYS 54 HA LYS 54 -8.902 0.081 5.309 338 HB2 LYS 54 HB2 LYS 54 -7.075 -2.154 4.726 339 HB3 LYS 54 HB1 LYS 54 -8.420 -2.569 5.777 340 HG2 LYS 54 HG2 LYS 54 -9.936 -2.395 4.131 341 HG3 LYS 54 HG1 LYS 54 -9.136 -1.002 3.399 342 HD2 LYS 54 HD2 LYS 54 -7.331 -2.701 2.680 343 HD3 LYS 54 HD1 LYS 54 -8.555 -3.922 3.034 344 HE2 LYS 54 HE2 LYS 54 -9.996 -2.191 1.540 345 HE3 LYS 54 HE1 LYS 54 -8.397 -1.972 0.831 346 HZ1 LYS 54 HZ1 LYS 54 -9.375 -4.702 1.269 347 HZ2 LYS 54 HZ2 LYS 54 -8.339 -4.109 0.070 348 HZ3 LYS 54 HZ3 LYS 54 -10.003 -3.821 -0.032 349 H LYS 55 HN LYS 55 -9.480 0.826 7.253 350 HA LYS 55 HA LYS 55 -8.266 0.968 9.611 351 HB2 LYS 55 HB2 LYS 55 -10.565 1.743 9.220 352 HB3 LYS 55 HB1 LYS 55 -11.137 0.082 9.285 353 HG2 LYS 55 HG2 LYS 55 -11.580 0.610 11.423 354 HG3 LYS 55 HG1 LYS 55 -9.873 0.226 11.652 355 HD2 LYS 55 HD2 LYS 55 -9.597 2.779 10.988 356 HD3 LYS 55 HD1 LYS 55 -11.245 2.862 11.613 357 HE2 LYS 55 HE2 LYS 55 -8.742 2.015 13.046 358 HE3 LYS 55 HE1 LYS 55 -9.835 3.341 13.444 359 HZ1 LYS 55 HZ1 LYS 55 -10.221 0.445 13.842 360 HZ2 LYS 55 HZ2 LYS 55 -11.556 1.478 13.742 361 HZ3 LYS 55 HZ3 LYS 55 -10.400 1.706 14.956 362 H ALA 56 HN ALA 56 -7.386 -0.312 11.098 363 HA ALA 56 HA ALA 56 -6.803 -2.918 10.833 364 HB1 ALA 56 HB1 ALA 56 -7.180 -1.241 13.255 365 HB2 ALA 56 HB2 ALA 56 -5.726 -2.024 12.633 366 HB3 ALA 56 HB3 ALA 56 -6.959 -2.980 13.459 367 H GLY 57 HN GLY 57 -7.779 -4.827 10.956 368 HA2 GLY 57 HA2 GLY 57 -9.460 -6.249 12.065 369 HA3 GLY 57 HA1 GLY 57 -10.552 -4.870 11.999 370 H THR 58 HN THR 58 -9.165 -4.441 9.214 371 HA THR 58 HA THR 58 -11.229 -5.793 7.725 372 HB THR 58 HB THR 58 -8.877 -4.136 6.770 373 HG1 THR 58 HG1 THR 58 -10.488 -2.511 6.564 374 HG21 THR 58 HG21 THR 58 -10.645 -5.730 5.286 375 HG22 THR 58 HG22 THR 58 -9.490 -4.534 4.690 376 HG23 THR 58 HG23 THR 58 -11.150 -4.056 5.049 377 H VAL 59 HN VAL 59 -11.050 -7.786 6.896 378 HA VAL 59 HA VAL 59 -8.527 -9.159 7.066 379 HB VAL 59 HB VAL 59 -10.605 -10.324 7.660 380 HG11 VAL 59 HG11 VAL 59 -12.401 -10.554 6.315 381 HG12 VAL 59 HG12 VAL 59 -11.423 -10.705 4.855 382 HG13 VAL 59 HG13 VAL 59 -11.739 -9.112 5.544 383 HG21 VAL 59 HG21 VAL 59 -8.805 -11.739 7.056 384 HG22 VAL 59 HG22 VAL 59 -9.045 -11.427 5.336 385 HG23 VAL 59 HG23 VAL 59 -10.230 -12.375 6.235 386 H CYS 60 HN CYS 60 -7.040 -9.150 5.524 387 HA CYS 60 HA CYS 60 -7.862 -8.548 2.768 388 HB2 CYS 60 HB2 CYS 60 -5.053 -8.584 3.862 389 HB3 CYS 60 HB1 CYS 60 -5.595 -7.903 2.334 390 H ARG 61 HN ARG 61 -6.484 -11.042 4.744 391 HA ARG 61 HA ARG 61 -6.508 -12.857 2.459 392 HB2 ARG 61 HB2 ARG 61 -4.114 -11.755 3.358 393 HB3 ARG 61 HB1 ARG 61 -4.155 -13.348 4.102 394 HG2 ARG 61 HG2 ARG 61 -4.837 -14.051 1.632 395 HG3 ARG 61 HG1 ARG 61 -3.940 -12.584 1.249 396 HD2 ARG 61 HD2 ARG 61 -2.993 -15.167 2.362 397 HD3 ARG 61 HD1 ARG 61 -2.233 -14.099 1.186 398 HE ARG 61 HE ARG 61 -1.674 -14.195 3.929 399 HH11 ARG 61 HH11 ARG 61 -2.198 -11.846 1.396 400 HH12 ARG 61 HH12 ARG 61 -1.265 -10.616 2.178 401 HH21 ARG 61 HH21 ARG 61 -0.453 -12.578 4.954 402 HH22 ARG 61 HH22 ARG 61 -0.271 -11.031 4.194 403 H ILE 62 HN ILE 62 -5.681 -15.141 3.411 404 HA ILE 62 HA ILE 62 -6.210 -15.815 6.060 405 HB ILE 62 HB ILE 62 -8.501 -15.201 5.697 406 HG12 ILE 62 HG12 ILE 62 -9.633 -17.361 6.142 407 HG13 ILE 62 HG11 ILE 62 -8.172 -18.207 5.642 408 HG21 ILE 62 HG21 ILE 62 -8.122 -15.855 3.098 409 HG22 ILE 62 HG22 ILE 62 -9.699 -15.576 3.836 410 HG23 ILE 62 HG23 ILE 62 -9.090 -17.221 3.653 411 HD11 ILE 62 HD11 ILE 62 -8.177 -18.173 7.999 412 HD12 ILE 62 HD12 ILE 62 -8.556 -16.451 8.045 413 HD13 ILE 62 HD13 ILE 62 -6.973 -16.991 7.485 414 H ALA 63 HN ALA 63 -5.485 -17.805 6.426 415 HA ALA 63 HA ALA 63 -4.178 -19.254 4.429 416 HB1 ALA 63 HB1 ALA 63 -3.265 -20.265 6.174 417 HB2 ALA 63 HB2 ALA 63 -4.816 -20.967 6.633 418 HB3 ALA 63 HB3 ALA 63 -4.365 -19.366 7.220 419 H ARG 64 HN ARG 64 -6.764 -20.703 6.375 420 HA ARG 64 HA ARG 64 -8.489 -21.278 4.226 421 HB2 ARG 64 HB2 ARG 64 -6.312 -22.791 3.926 422 HB3 ARG 64 HB1 ARG 64 -7.181 -23.815 5.061 423 HG2 ARG 64 HG2 ARG 64 -7.808 -24.621 2.973 424 HG3 ARG 64 HG1 ARG 64 -9.161 -23.596 3.455 425 HD2 ARG 64 HD2 ARG 64 -8.760 -22.079 1.831 426 HD3 ARG 64 HD1 ARG 64 -7.010 -22.251 1.957 427 HE ARG 64 HE ARG 64 -8.770 -23.663 0.177 428 HH11 ARG 64 HH11 ARG 64 -5.687 -23.743 1.809 429 HH12 ARG 64 HH12 ARG 64 -4.968 -24.826 0.665 430 HH21 ARG 64 HH21 ARG 64 -7.827 -25.088 -1.329 431 HH22 ARG 64 HH22 ARG 64 -6.183 -25.590 -1.117 432 H GLY 65 HN GLY 65 -9.586 -20.371 6.204 433 HA2 GLY 65 HA2 GLY 65 -11.475 -21.868 7.273 434 HA3 GLY 65 HA1 GLY 65 -10.119 -22.367 8.273 435 H ASP 66 HN ASP 66 -9.825 -21.293 10.090 436 HA ASP 66 HA ASP 66 -10.079 -18.480 10.328 437 HB2 ASP 66 HB2 ASP 66 -12.401 -20.170 11.092 438 HB3 ASP 66 HB1 ASP 66 -11.954 -18.882 12.207 439 H TRP 67 HN TRP 67 -7.981 -18.893 11.136 440 HA TRP 67 HA TRP 67 -7.933 -19.964 13.883 441 HB2 TRP 67 HB2 TRP 67 -5.305 -19.999 12.871 442 HB3 TRP 67 HB1 TRP 67 -6.342 -21.384 13.185 443 HD1 TRP 67 HD1 TRP 67 -5.651 -18.910 10.261 444 HE1 TRP 67 HE1 TRP 67 -5.947 -20.197 8.066 445 HE3 TRP 67 HE3 TRP 67 -7.119 -23.413 12.162 446 HZ2 TRP 67 HZ2 TRP 67 -6.691 -22.790 7.236 447 HZ3 TRP 67 HZ3 TRP 67 -7.603 -25.254 10.599 448 HH2 TRP 67 HH2 TRP 67 -7.393 -24.946 8.184 449 H ASN 68 HN ASN 68 -5.786 -18.045 11.839 450 HA ASN 68 HA ASN 68 -5.581 -16.053 14.000 451 HB2 ASN 68 HB2 ASN 68 -3.577 -16.290 11.782 452 HB3 ASN 68 HB1 ASN 68 -3.368 -15.623 13.397 453 HD21 ASN 68 HD21 ASN 68 -3.894 -18.629 11.631 454 HD22 ASN 68 HD22 ASN 68 -3.075 -19.648 12.760 455 H ASP 69 HN ASP 69 -6.148 -16.601 10.606 456 HA ASP 69 HA ASP 69 -7.010 -15.295 8.958 457 HB2 ASP 69 HB2 ASP 69 -7.867 -13.821 11.411 458 HB3 ASP 69 HB1 ASP 69 -8.146 -13.122 9.822 459 H ASP 70 HN ASP 70 -6.904 -13.090 7.966 460 HA ASP 70 HA ASP 70 -4.347 -11.799 8.618 461 HB2 ASP 70 HB2 ASP 70 -4.326 -13.052 6.448 462 HB3 ASP 70 HB1 ASP 70 -5.617 -12.003 5.887 463 H TYR 71 HN TYR 71 -4.634 -9.820 9.395 464 HA TYR 71 HA TYR 71 -6.909 -8.268 8.369 465 HB2 TYR 71 HB2 TYR 71 -6.123 -8.782 11.216 466 HB3 TYR 71 HB1 TYR 71 -7.101 -7.391 10.759 467 HD1 TYR 71 HD2 TYR 71 -9.234 -7.819 9.502 468 HD2 TYR 71 HD1 TYR 71 -7.127 -10.884 11.540 469 HE1 TYR 71 HE2 TYR 71 -11.276 -9.156 9.548 470 HE2 TYR 71 HE1 TYR 71 -9.155 -12.259 11.598 471 HH TYR 71 HH TYR 71 -12.114 -11.189 11.234 472 H CYS 72 HN CYS 72 -6.684 -6.122 8.170 473 HA CYS 72 HA CYS 72 -4.066 -5.056 7.925 474 HB2 CYS 72 HB2 CYS 72 -6.134 -4.373 6.614 475 HB3 CYS 72 HB1 CYS 72 -6.632 -3.474 8.043 476 H THR 73 HN THR 73 -3.322 -3.070 9.059 477 HA THR 73 HA THR 73 -4.197 -3.066 11.874 478 HB THR 73 HB THR 73 -1.949 -2.735 12.586 479 HG1 THR 73 HG1 THR 73 -1.390 -2.349 9.843 480 HG21 THR 73 HG21 THR 73 -2.658 -5.035 11.209 481 HG22 THR 73 HG22 THR 73 -1.313 -4.838 12.332 482 HG23 THR 73 HG23 THR 73 -1.056 -4.619 10.601 483 H GLY 74 HN GLY 74 -4.613 -1.306 9.283 484 HA2 GLY 74 HA2 GLY 74 -4.894 0.921 8.803 485 HA3 GLY 74 HA1 GLY 74 -5.282 1.062 10.510 486 H LYS 75 HN LYS 75 -2.111 0.007 9.561 487 HA LYS 75 HA LYS 75 -1.052 2.701 10.069 488 HB2 LYS 75 HB2 LYS 75 0.187 0.193 11.196 489 HB3 LYS 75 HB1 LYS 75 0.648 1.857 11.528 490 HG2 LYS 75 HG2 LYS 75 -2.045 1.707 12.221 491 HG3 LYS 75 HG1 LYS 75 -1.330 0.207 12.813 492 HD2 LYS 75 HD2 LYS 75 0.554 1.912 13.627 493 HD3 LYS 75 HD1 LYS 75 -0.827 3.011 13.632 494 HE2 LYS 75 HE2 LYS 75 -0.642 2.040 15.810 495 HE3 LYS 75 HE1 LYS 75 -2.057 1.347 15.019 496 HZ1 LYS 75 HZ1 LYS 75 -0.186 -0.414 14.328 497 HZ2 LYS 75 HZ2 LYS 75 -1.140 -0.567 15.716 498 HZ3 LYS 75 HZ3 LYS 75 0.421 0.075 15.830 499 H SER 76 HN SER 76 -1.195 0.176 7.941 500 HA SER 76 HA SER 76 0.945 1.214 6.362 501 HB2 SER 76 HB2 SER 76 1.296 -1.662 7.186 502 HB3 SER 76 HB1 SER 76 2.447 -0.607 6.367 503 HG SER 76 HG SER 76 1.636 -0.570 9.073 504 H SER 77 HN SER 77 1.271 -0.218 4.356 505 HA SER 77 HA SER 77 -1.368 -0.837 3.317 506 HB2 SER 77 HB2 SER 77 -0.470 -0.550 1.212 507 HB3 SER 77 HB1 SER 77 0.618 0.466 2.156 508 HG SER 77 HG SER 77 2.108 -1.230 2.178 509 H ASP 78 HN ASP 78 0.504 -2.591 5.172 510 HA ASP 78 HA ASP 78 0.322 -5.050 3.576 511 HB2 ASP 78 HB2 ASP 78 1.878 -4.615 6.131 512 HB3 ASP 78 HB1 ASP 78 1.972 -6.007 5.056 513 H CYS 79 HN CYS 79 -0.670 -6.876 4.385 514 HA CYS 79 HA CYS 79 -2.333 -6.487 6.790 515 HB2 CYS 79 HB2 CYS 79 -3.150 -6.969 4.104 516 HB3 CYS 79 HB1 CYS 79 -3.521 -8.410 5.045 517 HA PRO 80 HA PRO 80 0.286 -10.103 7.760 518 HB2 PRO 80 HB2 PRO 80 -0.197 -10.027 10.440 519 HB3 PRO 80 HB1 PRO 80 1.018 -9.022 9.644 520 HG2 PRO 80 HG2 PRO 80 -1.770 -8.317 10.478 521 HG3 PRO 80 HG1 PRO 80 -0.277 -7.378 10.661 522 HD2 PRO 80 HD2 PRO 80 -2.051 -6.870 8.698 523 HD3 PRO 80 HD1 PRO 80 -0.304 -6.671 8.459 524 H TRP 81 HN TRP 81 -0.396 -12.121 7.583 525 HA TRP 81 HA TRP 81 -3.155 -12.785 8.231 526 HB2 TRP 81 HB2 TRP 81 -2.819 -14.806 6.906 527 HB3 TRP 81 HB1 TRP 81 -2.421 -13.357 5.996 528 HD1 TRP 81 HD1 TRP 81 0.610 -13.399 7.672 529 HE1 TRP 81 HE1 TRP 81 2.390 -14.887 6.565 530 HE3 TRP 81 HE3 TRP 81 -2.445 -16.296 4.823 531 HZ2 TRP 81 HZ2 TRP 81 2.472 -17.018 4.713 532 HZ3 TRP 81 HZ3 TRP 81 -1.451 -18.050 3.404 533 HH2 TRP 81 HH2 TRP 81 0.966 -18.404 3.356 534 H ASN 82 HN ASN 82 -0.095 -13.180 9.512 535 HA ASN 82 HA ASN 82 0.740 -14.284 11.316 536 HB2 ASN 82 HB2 ASN 82 -2.202 -14.682 11.893 537 HB3 ASN 82 HB1 ASN 82 -0.907 -15.071 13.022 538 HD21 ASN 82 HD21 ASN 82 -3.188 -13.009 12.806 539 HD22 ASN 82 HD22 ASN 82 -2.422 -11.532 13.273 540 H HIS 83 HN HIS 83 0.576 -15.702 8.883 541 HA HIS 83 HA HIS 83 0.335 -18.446 9.910 542 HB2 HIS 83 HB2 HIS 83 -0.421 -17.621 7.103 543 HB3 HIS 83 HB1 HIS 83 -0.623 -19.208 7.839 544 HD1 HIS 83 HD1 HIS 83 -2.859 -17.112 6.662 545 HD2 HIS 83 HD2 HIS 83 -2.104 -18.140 10.613 546 HE1 HIS 83 HE1 HIS 83 -4.983 -16.604 7.908 547 HE2 HIS 83 HE2 HIS 83 -4.519 -17.295 10.285 Start of MODEL 38 1 H1 SER 1 HT1 SER 1 20.203 2.642 -12.400 2 H2 SER 1 HT2 SER 1 18.618 3.131 -12.839 3 H3 SER 1 HT3 SER 1 18.990 1.464 -12.675 4 HA SER 1 HA SER 1 19.225 1.620 -10.396 5 HB2 SER 1 HB2 SER 1 19.508 4.503 -11.056 6 HB3 SER 1 HB1 SER 1 18.735 4.122 -9.517 7 HG SER 1 HG SER 1 20.937 4.259 -9.184 8 HA PRO 2 HA PRO 2 14.713 1.418 -11.388 9 HB2 PRO 2 HB2 PRO 2 15.001 -0.562 -9.182 10 HB3 PRO 2 HB1 PRO 2 14.129 -0.697 -10.712 11 HG2 PRO 2 HG2 PRO 2 16.465 -1.934 -10.356 12 HG3 PRO 2 HG1 PRO 2 16.044 -1.200 -11.914 13 HD2 PRO 2 HD2 PRO 2 17.915 -0.230 -9.804 14 HD3 PRO 2 HD1 PRO 2 18.026 -0.081 -11.569 15 HA PRO 3 HA PRO 3 13.902 2.377 -6.686 16 HB2 PRO 3 HB2 PRO 3 16.578 2.928 -5.606 17 HB3 PRO 3 HB1 PRO 3 15.302 1.896 -4.964 18 HG2 PRO 3 HG2 PRO 3 17.556 0.879 -6.009 19 HG3 PRO 3 HG1 PRO 3 15.991 0.060 -6.168 20 HD2 PRO 3 HD2 PRO 3 17.466 1.733 -8.165 21 HD3 PRO 3 HD1 PRO 3 16.586 0.210 -8.400 22 H VAL 4 HN VAL 4 14.042 4.111 -8.832 23 HA VAL 4 HA VAL 4 15.010 6.603 -7.599 24 HB VAL 4 HB VAL 4 14.871 5.931 -10.540 25 HG11 VAL 4 HG11 VAL 4 15.853 8.151 -10.905 26 HG12 VAL 4 HG12 VAL 4 15.699 8.497 -9.183 27 HG13 VAL 4 HG13 VAL 4 14.255 8.256 -10.166 28 HG21 VAL 4 HG21 VAL 4 17.147 5.712 -10.537 29 HG22 VAL 4 HG22 VAL 4 16.787 5.118 -8.916 30 HG23 VAL 4 HG23 VAL 4 17.359 6.771 -9.144 31 H CYS 5 HN CYS 5 13.763 8.488 -7.896 32 HA CYS 5 HA CYS 5 10.916 7.991 -8.018 33 HB2 CYS 5 HB2 CYS 5 12.320 9.752 -6.571 34 HB3 CYS 5 HB1 CYS 5 12.035 10.766 -7.978 35 H GLY 6 HN GLY 6 10.727 7.270 -10.119 36 HA2 GLY 6 HA2 GLY 6 9.677 8.558 -12.101 37 HA3 GLY 6 HA1 GLY 6 11.322 9.166 -12.276 38 H ASN 7 HN ASN 7 10.649 5.966 -11.139 39 HA ASN 7 HA ASN 7 11.456 4.797 -13.709 40 HB2 ASN 7 HB2 ASN 7 13.302 4.882 -11.918 41 HB3 ASN 7 HB1 ASN 7 12.336 3.713 -11.022 42 HD21 ASN 7 HD21 ASN 7 14.687 4.148 -13.368 43 HD22 ASN 7 HD22 ASN 7 14.730 2.539 -13.995 44 H LYS 8 HN LYS 8 9.002 5.219 -11.793 45 HA LYS 8 HA LYS 8 7.008 4.197 -11.597 46 HB2 LYS 8 HB2 LYS 8 8.292 1.795 -12.912 47 HB3 LYS 8 HB1 LYS 8 6.578 1.982 -12.577 48 HG2 LYS 8 HG2 LYS 8 6.561 2.639 -14.736 49 HG3 LYS 8 HG1 LYS 8 6.947 4.198 -14.004 50 HD2 LYS 8 HD2 LYS 8 9.091 4.175 -14.758 51 HD3 LYS 8 HD1 LYS 8 9.225 2.419 -14.647 52 HE2 LYS 8 HE2 LYS 8 9.270 2.890 -16.947 53 HE3 LYS 8 HE1 LYS 8 7.630 2.329 -16.625 54 HZ1 LYS 8 HZ1 LYS 8 6.952 4.687 -16.489 55 HZ2 LYS 8 HZ2 LYS 8 7.531 4.250 -18.017 56 HZ3 LYS 8 HZ3 LYS 8 8.510 5.143 -16.966 57 H ILE 9 HN ILE 9 9.723 3.573 -10.028 58 HA ILE 9 HA ILE 9 8.561 1.569 -8.215 59 HB ILE 9 HB ILE 9 11.428 2.500 -8.525 60 HG12 ILE 9 HG12 ILE 9 11.329 -0.257 -8.795 61 HG13 ILE 9 HG11 ILE 9 9.866 0.278 -9.615 62 HG21 ILE 9 HG21 ILE 9 11.762 0.483 -6.896 63 HG22 ILE 9 HG22 ILE 9 10.099 0.841 -6.432 64 HG23 ILE 9 HG23 ILE 9 11.346 2.078 -6.268 65 HD11 ILE 9 HD11 ILE 9 11.358 0.315 -11.334 66 HD12 ILE 9 HD12 ILE 9 12.712 0.764 -10.298 67 HD13 ILE 9 HD13 ILE 9 11.510 1.972 -10.751 68 H LEU 10 HN LEU 10 8.587 2.039 -5.939 69 HA LEU 10 HA LEU 10 8.020 4.768 -5.351 70 HB2 LEU 10 HB2 LEU 10 8.187 2.246 -3.770 71 HB3 LEU 10 HB1 LEU 10 8.168 3.779 -2.917 72 HG LEU 10 HG LEU 10 6.045 4.343 -4.080 73 HD11 LEU 10 HD11 LEU 10 6.436 2.835 -6.006 74 HD12 LEU 10 HD12 LEU 10 4.838 2.662 -5.277 75 HD13 LEU 10 HD13 LEU 10 6.092 1.465 -4.950 76 HD21 LEU 10 HD21 LEU 10 4.999 3.528 -2.296 77 HD22 LEU 10 HD22 LEU 10 6.499 2.692 -1.894 78 HD23 LEU 10 HD23 LEU 10 5.251 1.864 -2.826 79 H GLU 11 HN GLU 11 10.444 4.945 -6.403 80 HA GLU 11 HA GLU 11 12.696 5.311 -6.066 81 HB2 GLU 11 HB2 GLU 11 11.786 7.480 -5.804 82 HB3 GLU 11 HB1 GLU 11 11.209 7.118 -4.182 83 HG2 GLU 11 HG2 GLU 11 13.280 7.332 -3.244 84 HG3 GLU 11 HG1 GLU 11 14.115 6.966 -4.750 85 H GLN 12 HN GLN 12 13.078 3.148 -5.192 86 HA GLN 12 HA GLN 12 13.969 1.719 -3.667 87 HB2 GLN 12 HB2 GLN 12 15.803 3.288 -3.653 88 HB3 GLN 12 HB1 GLN 12 14.964 4.321 -2.508 89 HG2 GLN 12 HG2 GLN 12 15.071 2.423 -0.870 90 HG3 GLN 12 HG1 GLN 12 16.127 1.594 -2.013 91 HE21 GLN 12 HE21 GLN 12 15.813 4.265 0.189 92 HE22 GLN 12 HE22 GLN 12 17.492 4.664 0.265 93 H GLY 13 HN GLY 13 13.582 4.181 -1.185 94 HA2 GLY 13 HA2 GLY 13 11.343 2.627 -0.056 95 HA3 GLY 13 HA1 GLY 13 12.707 3.106 0.945 96 H GLU 14 HN GLU 14 10.644 4.734 -1.453 97 HA GLU 14 HA GLU 14 10.544 7.088 0.254 98 HB2 GLU 14 HB2 GLU 14 10.065 6.489 -2.603 99 HB3 GLU 14 HB1 GLU 14 9.117 7.796 -1.909 100 HG2 GLU 14 HG2 GLU 14 12.114 7.592 -1.798 101 HG3 GLU 14 HG1 GLU 14 11.209 8.562 -2.960 102 H ASP 15 HN ASP 15 8.347 4.779 -1.236 103 HA ASP 15 HA ASP 15 6.428 3.868 -0.322 104 HB2 ASP 15 HB2 ASP 15 6.145 6.302 1.439 105 HB3 ASP 15 HB1 ASP 15 5.312 4.760 1.589 106 H CYS 16 HN CYS 16 6.739 5.488 -2.611 107 HA CYS 16 HA CYS 16 4.370 5.672 -3.744 108 HB2 CYS 16 HB2 CYS 16 4.523 7.833 -1.762 109 HB3 CYS 16 HB1 CYS 16 3.981 8.336 -3.356 110 H ASP 17 HN ASP 17 4.736 6.117 -5.817 111 HA ASP 17 HA ASP 17 6.333 8.343 -6.635 112 HB2 ASP 17 HB2 ASP 17 8.080 6.661 -6.015 113 HB3 ASP 17 HB1 ASP 17 7.432 5.599 -7.263 114 H CYS 18 HN CYS 18 6.512 8.517 -8.967 115 HA CYS 18 HA CYS 18 4.631 6.895 -10.512 116 HB2 CYS 18 HB2 CYS 18 4.454 9.846 -10.026 117 HB3 CYS 18 HB1 CYS 18 3.933 9.195 -11.570 118 H GLY 19 HN GLY 19 5.307 6.562 -12.601 119 HA2 GLY 19 HA2 GLY 19 7.911 6.818 -13.374 120 HA3 GLY 19 HA1 GLY 19 6.579 6.765 -14.520 121 H SER 20 HN SER 20 5.320 9.121 -14.164 122 HA SER 20 HA SER 20 7.347 11.222 -14.395 123 HB2 SER 20 HB2 SER 20 5.115 11.208 -16.386 124 HB3 SER 20 HB1 SER 20 6.724 11.918 -16.512 125 HG SER 20 HG SER 20 6.007 9.185 -16.711 126 HA PRO 21 HA PRO 21 4.588 13.240 -11.497 127 HB2 PRO 21 HB2 PRO 21 5.699 15.619 -12.933 128 HB3 PRO 21 HB1 PRO 21 5.501 15.345 -11.198 129 HG2 PRO 21 HG2 PRO 21 7.888 15.092 -12.361 130 HG3 PRO 21 HG1 PRO 21 7.380 14.003 -11.058 131 HD2 PRO 21 HD2 PRO 21 7.638 13.480 -13.966 132 HD3 PRO 21 HD1 PRO 21 7.780 12.361 -12.595 133 H ALA 22 HN ALA 22 4.707 13.966 -14.940 134 HA ALA 22 HA ALA 22 2.137 15.303 -14.909 135 HB1 ALA 22 HB1 ALA 22 3.822 14.486 -17.273 136 HB2 ALA 22 HB2 ALA 22 3.951 16.028 -16.427 137 HB3 ALA 22 HB3 ALA 22 2.465 15.612 -17.279 138 H ASN 23 HN ASN 23 3.439 12.151 -15.574 139 HA ASN 23 HA ASN 23 0.801 11.225 -16.482 140 HB2 ASN 23 HB2 ASN 23 3.557 10.038 -16.843 141 HB3 ASN 23 HB1 ASN 23 2.074 9.181 -17.252 142 HD21 ASN 23 HD21 ASN 23 3.853 12.163 -17.891 143 HD22 ASN 23 HD22 ASN 23 3.321 12.339 -19.526 144 H CYS 24 HN CYS 24 1.818 11.749 -13.701 145 HA CYS 24 HA CYS 24 2.283 9.371 -12.327 146 HB2 CYS 24 HB2 CYS 24 2.677 11.583 -11.358 147 HB3 CYS 24 HB1 CYS 24 0.944 11.894 -11.348 148 H GLN 25 HN GLN 25 0.866 7.831 -13.201 149 HA GLN 25 HA GLN 25 -1.978 8.133 -13.004 150 HB2 GLN 25 HB2 GLN 25 -2.083 5.826 -13.775 151 HB3 GLN 25 HB1 GLN 25 -0.939 6.743 -14.747 152 HG2 GLN 25 HG2 GLN 25 0.865 5.598 -13.962 153 HG3 GLN 25 HG1 GLN 25 0.107 5.243 -12.411 154 HE21 GLN 25 HE21 GLN 25 0.105 4.408 -15.828 155 HE22 GLN 25 HE22 GLN 25 -0.480 2.796 -15.624 156 H ASP 26 HN ASP 26 -1.116 8.698 -10.527 157 HA ASP 26 HA ASP 26 -2.281 6.551 -8.962 158 HB2 ASP 26 HB2 ASP 26 0.450 7.680 -8.305 159 HB3 ASP 26 HB1 ASP 26 -0.461 6.547 -7.312 160 H ARG 27 HN ARG 27 -3.989 7.847 -8.443 161 HA ARG 27 HA ARG 27 -3.814 10.555 -7.707 162 HB2 ARG 27 HB2 ARG 27 -6.111 10.330 -6.962 163 HB3 ARG 27 HB1 ARG 27 -5.887 9.478 -8.483 164 HG2 ARG 27 HG2 ARG 27 -5.421 7.715 -6.256 165 HG3 ARG 27 HG1 ARG 27 -7.004 8.485 -6.130 166 HD2 ARG 27 HD2 ARG 27 -6.294 7.498 -8.808 167 HD3 ARG 27 HD1 ARG 27 -6.494 6.251 -7.578 168 HE ARG 27 HE ARG 27 -8.632 8.172 -7.637 169 HH11 ARG 27 HH11 ARG 27 -7.425 5.192 -8.995 170 HH12 ARG 27 HH12 ARG 27 -8.991 4.632 -9.478 171 HH21 ARG 27 HH21 ARG 27 -10.692 7.437 -8.272 172 HH22 ARG 27 HH22 ARG 27 -10.846 5.906 -9.068 173 H CYS 28 HN CYS 28 -3.021 7.728 -5.963 174 HA CYS 28 HA CYS 28 -3.279 9.115 -3.394 175 HB2 CYS 28 HB2 CYS 28 -2.340 6.296 -3.513 176 HB3 CYS 28 HB1 CYS 28 -3.391 7.080 -2.343 177 H CYS 29 HN CYS 29 -0.925 7.888 -5.656 178 HA CYS 29 HA CYS 29 1.236 8.618 -3.793 179 HB2 CYS 29 HB2 CYS 29 1.070 6.631 -6.027 180 HB3 CYS 29 HB1 CYS 29 2.631 7.322 -5.605 181 H ASN 30 HN ASN 30 2.524 10.292 -4.239 182 HA ASN 30 HA ASN 30 2.269 11.535 -6.902 183 HB2 ASN 30 HB2 ASN 30 1.442 12.819 -4.853 184 HB3 ASN 30 HB1 ASN 30 3.135 12.968 -4.398 185 HD21 ASN 30 HD21 ASN 30 3.961 14.840 -4.933 186 HD22 ASN 30 HD22 ASN 30 3.572 15.769 -6.337 187 H ALA 31 HN ALA 31 4.004 11.632 -8.149 188 HA ALA 31 HA ALA 31 6.502 10.526 -7.329 189 HB1 ALA 31 HB1 ALA 31 6.340 10.182 -9.554 190 HB2 ALA 31 HB2 ALA 31 7.093 11.770 -9.661 191 HB3 ALA 31 HB3 ALA 31 5.343 11.612 -9.807 192 H ALA 32 HN ALA 32 5.391 13.796 -8.096 193 HA ALA 32 HA ALA 32 7.724 15.228 -7.902 194 HB1 ALA 32 HB1 ALA 32 5.137 15.887 -8.238 195 HB2 ALA 32 HB2 ALA 32 6.413 17.063 -7.919 196 HB3 ALA 32 HB3 ALA 32 5.399 16.482 -6.598 197 H THR 33 HN THR 33 6.047 13.606 -5.359 198 HA THR 33 HA THR 33 7.816 14.886 -3.379 199 HB THR 33 HB THR 33 5.306 15.264 -3.134 200 HG1 THR 33 HG1 THR 33 5.427 15.007 -0.910 201 HG21 THR 33 HG21 THR 33 5.092 12.597 -1.865 202 HG22 THR 33 HG22 THR 33 4.931 12.683 -3.617 203 HG23 THR 33 HG23 THR 33 3.848 13.617 -2.587 204 H CYS 34 HN CYS 34 6.643 11.950 -4.785 205 HA CYS 34 HA CYS 34 7.262 9.786 -4.571 206 HB2 CYS 34 HB2 CYS 34 9.621 11.283 -4.030 207 HB3 CYS 34 HB1 CYS 34 9.565 9.948 -2.883 208 H LYS 35 HN LYS 35 5.396 10.831 -2.881 209 HA LYS 35 HA LYS 35 5.492 8.939 -0.706 210 HB2 LYS 35 HB2 LYS 35 5.277 11.882 -0.032 211 HB3 LYS 35 HB1 LYS 35 5.224 10.538 1.099 212 HG2 LYS 35 HG2 LYS 35 7.559 9.981 0.449 213 HG3 LYS 35 HG1 LYS 35 7.585 11.451 -0.526 214 HD2 LYS 35 HD2 LYS 35 6.966 11.417 2.421 215 HD3 LYS 35 HD1 LYS 35 8.586 11.670 1.767 216 HE2 LYS 35 HE2 LYS 35 7.730 13.614 0.503 217 HE3 LYS 35 HE1 LYS 35 6.154 13.381 1.260 218 HZ1 LYS 35 HZ1 LYS 35 8.494 13.641 3.000 219 HZ2 LYS 35 HZ2 LYS 35 6.898 14.136 3.258 220 HZ3 LYS 35 HZ3 LYS 35 7.909 15.038 2.246 221 H LEU 36 HN LEU 36 3.414 8.977 0.538 222 HA LEU 36 HA LEU 36 1.202 8.937 -1.153 223 HB2 LEU 36 HB2 LEU 36 1.403 9.074 1.848 224 HB3 LEU 36 HB1 LEU 36 -0.128 8.913 1.011 225 HG LEU 36 HG LEU 36 1.987 6.933 0.357 226 HD11 LEU 36 HD11 LEU 36 0.433 6.918 2.938 227 HD12 LEU 36 HD12 LEU 36 2.184 7.030 2.761 228 HD13 LEU 36 HD13 LEU 36 1.344 5.552 2.293 229 HD21 LEU 36 HD21 LEU 36 -1.006 6.907 0.663 230 HD22 LEU 36 HD22 LEU 36 -0.048 5.451 0.392 231 HD23 LEU 36 HD23 LEU 36 -0.063 6.735 -0.817 232 H THR 37 HN THR 37 -0.093 10.457 -1.927 233 HA THR 37 HA THR 37 0.355 13.193 -1.515 234 HB THR 37 HB THR 37 -1.492 13.581 -2.943 235 HG1 THR 37 HG1 THR 37 -2.421 10.964 -2.383 236 HG21 THR 37 HG21 THR 37 -1.270 11.077 -4.243 237 HG22 THR 37 HG22 THR 37 0.319 11.514 -3.614 238 HG23 THR 37 HG23 THR 37 -0.541 12.621 -4.685 239 HA PRO 38 HA PRO 38 -1.747 14.418 2.147 240 HB2 PRO 38 HB2 PRO 38 -3.212 16.392 0.460 241 HB3 PRO 38 HB1 PRO 38 -2.286 16.647 1.943 242 HG2 PRO 38 HG2 PRO 38 -1.277 17.338 -0.421 243 HG3 PRO 38 HG1 PRO 38 -0.249 16.618 0.832 244 HD2 PRO 38 HD2 PRO 38 -1.363 15.387 -1.647 245 HD3 PRO 38 HD1 PRO 38 0.199 15.109 -0.851 246 H GLY 39 HN GLY 39 -3.255 13.094 2.952 247 HA2 GLY 39 HA2 GLY 39 -5.523 12.607 3.418 248 HA3 GLY 39 HA1 GLY 39 -5.957 13.224 1.832 249 H SER 40 HN SER 40 -3.275 11.060 2.024 250 HA SER 40 HA SER 40 -4.943 8.758 1.360 251 HB2 SER 40 HB2 SER 40 -2.668 9.747 -0.378 252 HB3 SER 40 HB1 SER 40 -3.528 8.224 -0.601 253 HG SER 40 HG SER 40 -4.202 10.662 -1.459 254 H GLN 41 HN GLN 41 -4.141 6.849 2.081 255 HA GLN 41 HA GLN 41 -1.510 6.943 3.401 256 HB2 GLN 41 HB2 GLN 41 -4.128 5.883 4.228 257 HB3 GLN 41 HB1 GLN 41 -2.773 4.809 4.542 258 HG2 GLN 41 HG2 GLN 41 -1.806 7.186 5.445 259 HG3 GLN 41 HG1 GLN 41 -3.522 7.324 5.827 260 HE21 GLN 41 HE21 GLN 41 -4.469 5.399 6.941 261 HE22 GLN 41 HE22 GLN 41 -3.505 4.632 8.152 262 H CYS 42 HN CYS 42 -3.646 5.075 1.339 263 HA CYS 42 HA CYS 42 -1.397 3.260 0.732 264 HB2 CYS 42 HB2 CYS 42 -3.715 2.452 1.831 265 HB3 CYS 42 HB1 CYS 42 -4.123 2.334 0.123 266 H ASN 43 HN ASN 43 -1.410 2.359 -1.426 267 HA ASN 43 HA ASN 43 -2.899 3.756 -3.481 268 HB2 ASN 43 HB2 ASN 43 -0.894 5.192 -3.015 269 HB3 ASN 43 HB1 ASN 43 0.122 3.838 -3.497 270 HD21 ASN 43 HD21 ASN 43 0.839 3.978 -5.481 271 HD22 ASN 43 HD22 ASN 43 0.024 4.709 -6.817 272 H TYR 44 HN TYR 44 -0.594 1.327 -2.494 273 HA TYR 44 HA TYR 44 -1.582 -0.435 -4.587 274 HB2 TYR 44 HB2 TYR 44 0.331 -0.609 -5.763 275 HB3 TYR 44 HB1 TYR 44 0.831 0.869 -4.952 276 HD1 TYR 44 HD1 TYR 44 0.864 -2.830 -4.477 277 HD2 TYR 44 HD2 TYR 44 2.832 0.875 -3.784 278 HE1 TYR 44 HE1 TYR 44 2.756 -4.032 -3.491 279 HE2 TYR 44 HE2 TYR 44 4.741 -0.315 -2.796 280 HH TYR 44 HH TYR 44 5.490 -3.271 -3.228 281 H GLY 45 HN GLY 45 -2.123 -2.297 -3.688 282 HA2 GLY 45 HA2 GLY 45 -1.084 -4.201 -2.350 283 HA3 GLY 45 HA1 GLY 45 -0.927 -2.989 -1.087 284 H GLU 46 HN GLU 46 -2.290 -5.280 -0.566 285 HA GLU 46 HA GLU 46 -5.018 -5.336 -1.093 286 HB2 GLU 46 HB2 GLU 46 -3.323 -6.384 1.144 287 HB3 GLU 46 HB1 GLU 46 -5.071 -6.568 1.196 288 HG2 GLU 46 HG2 GLU 46 -3.907 -8.542 0.294 289 HG3 GLU 46 HG1 GLU 46 -5.059 -7.836 -0.839 290 H CYS 47 HN CYS 47 -3.312 -3.812 1.624 291 HA CYS 47 HA CYS 47 -5.556 -3.019 3.067 292 HB2 CYS 47 HB2 CYS 47 -2.798 -2.759 3.323 293 HB3 CYS 47 HB1 CYS 47 -3.397 -1.104 3.305 294 H CYS 48 HN CYS 48 -4.234 -1.593 0.174 295 HA CYS 48 HA CYS 48 -5.252 0.999 0.577 296 HB2 CYS 48 HB2 CYS 48 -4.908 -0.202 -2.151 297 HB3 CYS 48 HB1 CYS 48 -4.669 1.464 -1.636 298 H ASP 49 HN ASP 49 -7.047 1.983 0.116 299 HA ASP 49 HA ASP 49 -9.132 0.990 -1.529 300 HB2 ASP 49 HB2 ASP 49 -9.179 -0.239 0.882 301 HB3 ASP 49 HB1 ASP 49 -10.106 1.209 1.267 302 H GLN 50 HN GLN 50 -9.464 2.932 -2.453 303 HA GLN 50 HA GLN 50 -10.121 5.102 -2.702 304 HB2 GLN 50 HB2 GLN 50 -11.818 4.432 -0.919 305 HB3 GLN 50 HB1 GLN 50 -10.729 5.159 0.255 306 HG2 GLN 50 HG2 GLN 50 -11.309 7.246 -0.306 307 HG3 GLN 50 HG1 GLN 50 -11.377 6.874 -2.029 308 HE21 GLN 50 HE21 GLN 50 -13.122 5.768 0.861 309 HE22 GLN 50 HE22 GLN 50 -14.703 6.035 0.216 310 H CYS 51 HN CYS 51 -7.434 4.325 -2.070 311 HA CYS 51 HA CYS 51 -5.411 5.290 -1.737 312 HB2 CYS 51 HB2 CYS 51 -7.061 7.805 -1.462 313 HB3 CYS 51 HB1 CYS 51 -5.303 7.782 -1.453 314 H ARG 52 HN ARG 52 -7.223 4.344 0.537 315 HA ARG 52 HA ARG 52 -5.569 5.499 2.680 316 HB2 ARG 52 HB2 ARG 52 -8.044 6.324 2.536 317 HB3 ARG 52 HB1 ARG 52 -8.421 4.746 3.213 318 HG2 ARG 52 HG2 ARG 52 -8.254 5.961 5.126 319 HG3 ARG 52 HG1 ARG 52 -6.577 5.435 4.964 320 HD2 ARG 52 HD2 ARG 52 -5.839 7.514 4.365 321 HD3 ARG 52 HD1 ARG 52 -7.381 7.973 3.644 322 HE ARG 52 HE ARG 52 -7.482 7.667 6.501 323 HH11 ARG 52 HH11 ARG 52 -6.784 9.864 3.881 324 HH12 ARG 52 HH12 ARG 52 -7.077 11.284 4.828 325 HH21 ARG 52 HH21 ARG 52 -7.869 9.533 7.748 326 HH22 ARG 52 HH22 ARG 52 -7.692 11.096 7.023 327 H PHE 53 HN PHE 53 -4.958 4.086 4.325 328 HA PHE 53 HA PHE 53 -4.770 1.358 3.627 329 HB2 PHE 53 HB2 PHE 53 -4.217 2.821 6.207 330 HB3 PHE 53 HB1 PHE 53 -4.008 1.078 6.058 331 HD1 PHE 53 HD2 PHE 53 -3.008 1.170 3.158 332 HD2 PHE 53 HD1 PHE 53 -1.938 3.332 6.659 333 HE1 PHE 53 HE2 PHE 53 -0.768 1.502 2.253 334 HE2 PHE 53 HE1 PHE 53 0.326 3.669 5.757 335 HZ PHE 53 HZ PHE 53 0.919 2.754 3.548 336 H LYS 54 HN LYS 54 -5.848 -0.422 4.282 337 HA LYS 54 HA LYS 54 -8.563 -0.100 5.051 338 HB2 LYS 54 HB2 LYS 54 -6.799 -2.307 4.317 339 HB3 LYS 54 HB1 LYS 54 -7.956 -2.757 5.560 340 HG2 LYS 54 HG2 LYS 54 -9.759 -2.482 4.183 341 HG3 LYS 54 HG1 LYS 54 -8.943 -1.289 3.171 342 HD2 LYS 54 HD2 LYS 54 -7.439 -3.592 2.836 343 HD3 LYS 54 HD1 LYS 54 -9.103 -4.175 2.885 344 HE2 LYS 54 HE2 LYS 54 -9.545 -2.208 1.235 345 HE3 LYS 54 HE1 LYS 54 -7.806 -2.294 0.959 346 HZ1 LYS 54 HZ1 LYS 54 -9.090 -3.640 -0.619 347 HZ2 LYS 54 HZ2 LYS 54 -9.680 -4.578 0.659 348 HZ3 LYS 54 HZ3 LYS 54 -8.027 -4.583 0.301 349 H LYS 55 HN LYS 55 -8.740 0.939 6.984 350 HA LYS 55 HA LYS 55 -7.480 1.040 9.259 351 HB2 LYS 55 HB2 LYS 55 -9.784 1.880 8.926 352 HB3 LYS 55 HB1 LYS 55 -10.396 0.254 9.194 353 HG2 LYS 55 HG2 LYS 55 -10.688 1.338 11.236 354 HG3 LYS 55 HG1 LYS 55 -9.228 0.371 11.458 355 HD2 LYS 55 HD2 LYS 55 -8.121 2.642 10.562 356 HD3 LYS 55 HD1 LYS 55 -9.565 3.307 11.328 357 HE2 LYS 55 HE2 LYS 55 -8.920 2.654 13.427 358 HE3 LYS 55 HE1 LYS 55 -7.965 1.298 12.828 359 HZ1 LYS 55 HZ1 LYS 55 -6.530 3.237 11.837 360 HZ2 LYS 55 HZ2 LYS 55 -6.318 2.726 13.436 361 HZ3 LYS 55 HZ3 LYS 55 -7.223 4.117 13.106 362 H ALA 56 HN ALA 56 -6.626 -0.184 10.813 363 HA ALA 56 HA ALA 56 -6.179 -2.848 10.640 364 HB1 ALA 56 HB1 ALA 56 -4.908 -1.934 12.290 365 HB2 ALA 56 HB2 ALA 56 -6.146 -2.706 13.283 366 HB3 ALA 56 HB3 ALA 56 -6.240 -0.977 12.941 367 H GLY 57 HN GLY 57 -7.299 -4.663 10.881 368 HA2 GLY 57 HA2 GLY 57 -8.934 -5.949 12.187 369 HA3 GLY 57 HA1 GLY 57 -9.927 -4.497 12.231 370 H THR 58 HN THR 58 -8.743 -4.329 9.269 371 HA THR 58 HA THR 58 -11.117 -5.433 8.055 372 HB THR 58 HB THR 58 -8.705 -4.063 6.837 373 HG1 THR 58 HG1 THR 58 -9.768 -2.576 8.033 374 HG21 THR 58 HG21 THR 58 -11.141 -3.809 5.341 375 HG22 THR 58 HG22 THR 58 -10.688 -5.505 5.521 376 HG23 THR 58 HG23 THR 58 -9.547 -4.355 4.819 377 H VAL 59 HN VAL 59 -11.173 -7.594 7.743 378 HA VAL 59 HA VAL 59 -8.856 -9.198 7.462 379 HB VAL 59 HB VAL 59 -10.991 -10.097 8.318 380 HG11 VAL 59 HG11 VAL 59 -12.087 -10.383 5.580 381 HG12 VAL 59 HG12 VAL 59 -12.233 -8.806 6.356 382 HG13 VAL 59 HG13 VAL 59 -12.921 -10.235 7.128 383 HG21 VAL 59 HG21 VAL 59 -9.765 -11.911 7.770 384 HG22 VAL 59 HG22 VAL 59 -9.447 -11.334 6.134 385 HG23 VAL 59 HG23 VAL 59 -10.989 -12.100 6.514 386 H CYS 60 HN CYS 60 -7.609 -9.487 5.726 387 HA CYS 60 HA CYS 60 -8.825 -9.028 3.078 388 HB2 CYS 60 HB2 CYS 60 -5.965 -8.583 3.054 389 HB3 CYS 60 HB1 CYS 60 -7.266 -7.535 2.507 390 H ARG 61 HN ARG 61 -7.245 -11.256 5.050 391 HA ARG 61 HA ARG 61 -6.972 -13.081 2.817 392 HB2 ARG 61 HB2 ARG 61 -4.693 -11.733 3.951 393 HB3 ARG 61 HB1 ARG 61 -4.565 -13.466 4.222 394 HG2 ARG 61 HG2 ARG 61 -5.317 -13.395 1.615 395 HG3 ARG 61 HG1 ARG 61 -4.356 -11.921 1.743 396 HD2 ARG 61 HD2 ARG 61 -3.514 -14.746 2.345 397 HD3 ARG 61 HD1 ARG 61 -2.868 -13.660 1.116 398 HE ARG 61 HE ARG 61 -2.086 -13.805 3.850 399 HH11 ARG 61 HH11 ARG 61 -2.468 -11.594 1.177 400 HH12 ARG 61 HH12 ARG 61 -1.278 -10.483 1.765 401 HH21 ARG 61 HH21 ARG 61 -0.523 -12.346 4.625 402 HH22 ARG 61 HH22 ARG 61 -0.172 -10.910 3.723 403 H ILE 62 HN ILE 62 -5.860 -15.214 3.809 404 HA ILE 62 HA ILE 62 -6.571 -15.795 6.520 405 HB ILE 62 HB ILE 62 -8.001 -17.779 5.011 406 HG12 ILE 62 HG12 ILE 62 -9.869 -16.470 4.177 407 HG13 ILE 62 HG11 ILE 62 -9.098 -14.976 4.696 408 HG21 ILE 62 HG21 ILE 62 -9.150 -15.785 6.936 409 HG22 ILE 62 HG22 ILE 62 -8.130 -17.127 7.454 410 HG23 ILE 62 HG23 ILE 62 -9.660 -17.446 6.636 411 HD11 ILE 62 HD11 ILE 62 -7.351 -16.450 2.962 412 HD12 ILE 62 HD12 ILE 62 -7.997 -14.819 2.786 413 HD13 ILE 62 HD13 ILE 62 -8.923 -16.202 2.200 414 H ALA 63 HN ALA 63 -5.158 -17.236 7.219 415 HA ALA 63 HA ALA 63 -3.150 -18.348 5.703 416 HB1 ALA 63 HB1 ALA 63 -4.120 -18.632 8.411 417 HB2 ALA 63 HB2 ALA 63 -2.468 -18.652 7.795 418 HB3 ALA 63 HB3 ALA 63 -3.428 -20.132 7.794 419 H ARG 64 HN ARG 64 -5.581 -20.436 7.231 420 HA ARG 64 HA ARG 64 -6.353 -21.696 4.800 421 HB2 ARG 64 HB2 ARG 64 -4.001 -22.726 6.181 422 HB3 ARG 64 HB1 ARG 64 -5.249 -23.948 5.991 423 HG2 ARG 64 HG2 ARG 64 -3.921 -22.350 3.817 424 HG3 ARG 64 HG1 ARG 64 -3.768 -24.080 4.127 425 HD2 ARG 64 HD2 ARG 64 -6.422 -23.928 3.848 426 HD3 ARG 64 HD1 ARG 64 -5.957 -22.561 2.837 427 HE ARG 64 HE ARG 64 -5.133 -24.030 1.286 428 HH11 ARG 64 HH11 ARG 64 -5.635 -25.726 4.295 429 HH12 ARG 64 HH12 ARG 64 -5.326 -27.286 3.611 430 HH21 ARG 64 HH21 ARG 64 -4.727 -26.082 0.385 431 HH22 ARG 64 HH22 ARG 64 -4.811 -27.489 1.392 432 H GLY 65 HN GLY 65 -8.035 -20.696 6.507 433 HA2 GLY 65 HA2 GLY 65 -9.954 -22.423 7.099 434 HA3 GLY 65 HA1 GLY 65 -8.861 -22.719 8.443 435 H ASP 66 HN ASP 66 -9.004 -21.459 10.191 436 HA ASP 66 HA ASP 66 -9.730 -18.745 10.168 437 HB2 ASP 66 HB2 ASP 66 -11.932 -20.695 10.391 438 HB3 ASP 66 HB1 ASP 66 -11.939 -19.415 11.601 439 H TRP 67 HN TRP 67 -7.867 -18.815 11.476 440 HA TRP 67 HA TRP 67 -8.359 -19.720 14.239 441 HB2 TRP 67 HB2 TRP 67 -5.569 -19.397 13.813 442 HB3 TRP 67 HB1 TRP 67 -6.448 -20.890 14.121 443 HD1 TRP 67 HD1 TRP 67 -5.345 -18.701 11.130 444 HE1 TRP 67 HE1 TRP 67 -5.046 -20.243 9.093 445 HE3 TRP 67 HE3 TRP 67 -6.953 -23.076 13.191 446 HZ2 TRP 67 HZ2 TRP 67 -5.443 -22.953 8.447 447 HZ3 TRP 67 HZ3 TRP 67 -6.967 -25.110 11.799 448 HH2 TRP 67 HH2 TRP 67 -6.226 -25.047 9.472 449 H ASN 68 HN ASN 68 -6.051 -17.634 12.573 450 HA ASN 68 HA ASN 68 -6.539 -15.547 14.585 451 HB2 ASN 68 HB2 ASN 68 -4.224 -15.559 12.663 452 HB3 ASN 68 HB1 ASN 68 -4.357 -14.750 14.221 453 HD21 ASN 68 HD21 ASN 68 -4.098 -17.902 12.677 454 HD22 ASN 68 HD22 ASN 68 -3.333 -18.694 14.009 455 H ASP 69 HN ASP 69 -6.699 -16.306 11.204 456 HA ASP 69 HA ASP 69 -7.596 -15.221 9.419 457 HB2 ASP 69 HB2 ASP 69 -8.864 -13.862 11.736 458 HB3 ASP 69 HB1 ASP 69 -8.990 -13.067 10.171 459 H ASP 70 HN ASP 70 -6.794 -13.813 7.953 460 HA ASP 70 HA ASP 70 -4.616 -12.137 8.751 461 HB2 ASP 70 HB2 ASP 70 -4.838 -13.443 6.546 462 HB3 ASP 70 HB1 ASP 70 -5.893 -12.131 6.033 463 H TYR 71 HN TYR 71 -4.668 -10.068 9.304 464 HA TYR 71 HA TYR 71 -6.959 -8.452 8.431 465 HB2 TYR 71 HB2 TYR 71 -5.973 -8.923 11.212 466 HB3 TYR 71 HB1 TYR 71 -6.762 -7.403 10.798 467 HD1 TYR 71 HD2 TYR 71 -9.058 -7.483 9.817 468 HD2 TYR 71 HD1 TYR 71 -7.234 -10.855 11.623 469 HE1 TYR 71 HE2 TYR 71 -11.266 -8.508 10.077 470 HE2 TYR 71 HE1 TYR 71 -9.426 -11.919 11.880 471 HH TYR 71 HH TYR 71 -12.224 -10.775 10.329 472 H CYS 72 HN CYS 72 -6.598 -6.355 8.008 473 HA CYS 72 HA CYS 72 -3.932 -5.522 7.493 474 HB2 CYS 72 HB2 CYS 72 -6.613 -4.569 6.958 475 HB3 CYS 72 HB1 CYS 72 -5.561 -3.247 7.453 476 H THR 73 HN THR 73 -3.091 -3.380 8.341 477 HA THR 73 HA THR 73 -3.714 -3.133 11.211 478 HB THR 73 HB THR 73 -1.406 -2.778 11.697 479 HG1 THR 73 HG1 THR 73 0.138 -2.576 10.110 480 HG21 THR 73 HG21 THR 73 -2.275 -5.184 10.744 481 HG22 THR 73 HG22 THR 73 -0.726 -4.891 11.535 482 HG23 THR 73 HG23 THR 73 -0.831 -4.889 9.774 483 H GLY 74 HN GLY 74 -4.311 -1.595 8.506 484 HA2 GLY 74 HA2 GLY 74 -4.616 0.589 7.869 485 HA3 GLY 74 HA1 GLY 74 -4.862 0.878 9.583 486 H LYS 75 HN LYS 75 -1.793 -0.312 8.500 487 HA LYS 75 HA LYS 75 -0.654 2.385 8.820 488 HB2 LYS 75 HB2 LYS 75 0.294 -0.243 9.931 489 HB3 LYS 75 HB1 LYS 75 1.398 1.108 9.716 490 HG2 LYS 75 HG2 LYS 75 -0.450 2.405 11.065 491 HG3 LYS 75 HG1 LYS 75 -0.855 0.781 11.625 492 HD2 LYS 75 HD2 LYS 75 1.830 0.740 11.910 493 HD3 LYS 75 HD1 LYS 75 1.506 2.452 12.193 494 HE2 LYS 75 HE2 LYS 75 1.194 1.730 14.315 495 HE3 LYS 75 HE1 LYS 75 -0.426 1.389 13.708 496 HZ1 LYS 75 HZ1 LYS 75 0.087 -0.606 14.640 497 HZ2 LYS 75 HZ2 LYS 75 1.747 -0.463 14.349 498 HZ3 LYS 75 HZ3 LYS 75 0.701 -0.882 13.087 499 H SER 76 HN SER 76 -0.761 -0.539 6.987 500 HA SER 76 HA SER 76 0.985 0.668 4.992 501 HB2 SER 76 HB2 SER 76 1.605 -1.805 6.519 502 HB3 SER 76 HB1 SER 76 1.948 -1.822 4.790 503 HG SER 76 HG SER 76 2.838 0.205 6.561 504 H SER 77 HN SER 77 1.084 -0.918 3.020 505 HA SER 77 HA SER 77 -1.673 -1.438 2.263 506 HB2 SER 77 HB2 SER 77 -0.933 -1.396 0.061 507 HB3 SER 77 HB1 SER 77 0.224 -0.318 0.839 508 HG SER 77 HG SER 77 1.682 -2.062 0.941 509 H ASP 78 HN ASP 78 0.224 -3.180 4.084 510 HA ASP 78 HA ASP 78 -0.197 -5.717 2.657 511 HB2 ASP 78 HB2 ASP 78 1.687 -5.019 4.913 512 HB3 ASP 78 HB1 ASP 78 1.465 -6.647 4.281 513 H CYS 79 HN CYS 79 -1.032 -7.514 3.748 514 HA CYS 79 HA CYS 79 -2.527 -6.924 6.221 515 HB2 CYS 79 HB2 CYS 79 -3.836 -7.097 3.953 516 HB3 CYS 79 HB1 CYS 79 -3.594 -8.828 4.163 517 HA PRO 80 HA PRO 80 0.078 -10.557 7.170 518 HB2 PRO 80 HB2 PRO 80 0.027 -10.227 9.856 519 HB3 PRO 80 HB1 PRO 80 1.099 -9.299 8.800 520 HG2 PRO 80 HG2 PRO 80 -1.535 -8.507 9.989 521 HG3 PRO 80 HG1 PRO 80 -0.032 -7.571 9.879 522 HD2 PRO 80 HD2 PRO 80 -2.089 -7.218 8.158 523 HD3 PRO 80 HD1 PRO 80 -0.395 -7.010 7.672 524 H TRP 81 HN TRP 81 -0.539 -12.594 7.555 525 HA TRP 81 HA TRP 81 -3.135 -13.480 7.679 526 HB2 TRP 81 HB2 TRP 81 -1.349 -15.213 9.234 527 HB3 TRP 81 HB1 TRP 81 -2.269 -15.562 7.779 528 HD1 TRP 81 HD1 TRP 81 1.152 -14.180 8.888 529 HE1 TRP 81 HE1 TRP 81 2.792 -14.456 6.921 530 HE3 TRP 81 HE3 TRP 81 -2.129 -15.789 5.347 531 HZ2 TRP 81 HZ2 TRP 81 2.695 -15.259 4.217 532 HZ3 TRP 81 HZ3 TRP 81 -1.288 -16.297 3.083 533 HH2 TRP 81 HH2 TRP 81 1.079 -16.034 2.532 534 H ASN 82 HN ASN 82 -1.132 -12.379 10.273 535 HA ASN 82 HA ASN 82 -1.794 -11.595 12.357 536 HB2 ASN 82 HB2 ASN 82 -4.217 -11.772 11.450 537 HB3 ASN 82 HB1 ASN 82 -4.253 -13.331 12.273 538 HD21 ASN 82 HD21 ASN 82 -5.461 -10.500 12.641 539 HD22 ASN 82 HD22 ASN 82 -5.281 -10.226 14.337 540 H HIS 83 HN HIS 83 -0.389 -14.058 11.464 541 HA HIS 83 HA HIS 83 -0.806 -15.781 13.805 542 HB2 HIS 83 HB2 HIS 83 0.641 -16.362 11.209 543 HB3 HIS 83 HB1 HIS 83 0.384 -17.508 12.524 544 HD1 HIS 83 HD1 HIS 83 -1.014 -19.105 11.078 545 HD2 HIS 83 HD2 HIS 83 -2.576 -15.265 11.305 546 HE1 HIS 83 HE1 HIS 83 -3.335 -19.252 10.124 547 HE2 HIS 83 HE2 HIS 83 -4.291 -16.943 10.361 Start of MODEL 39 1 H1 SER 1 HT1 SER 1 12.352 -3.649 -8.021 2 H2 SER 1 HT2 SER 1 12.132 -5.131 -7.185 3 H3 SER 1 HT3 SER 1 13.014 -5.097 -8.656 4 HA SER 1 HA SER 1 13.798 -4.399 -5.973 5 HB2 SER 1 HB2 SER 1 14.554 -6.182 -7.981 6 HB3 SER 1 HB1 SER 1 15.845 -4.981 -7.964 7 HG SER 1 HG SER 1 15.961 -5.342 -5.663 8 HA PRO 2 HA PRO 2 16.397 -1.251 -8.819 9 HB2 PRO 2 HB2 PRO 2 14.154 -0.810 -10.739 10 HB3 PRO 2 HB1 PRO 2 15.899 -0.751 -11.015 11 HG2 PRO 2 HG2 PRO 2 14.475 -2.850 -11.814 12 HG3 PRO 2 HG1 PRO 2 16.093 -3.061 -11.121 13 HD2 PRO 2 HD2 PRO 2 13.425 -3.588 -9.903 14 HD3 PRO 2 HD1 PRO 2 14.965 -4.440 -9.669 15 HA PRO 3 HA PRO 3 13.592 1.459 -6.435 16 HB2 PRO 3 HB2 PRO 3 15.863 2.412 -4.989 17 HB3 PRO 3 HB1 PRO 3 14.611 1.309 -4.420 18 HG2 PRO 3 HG2 PRO 3 17.261 0.625 -4.817 19 HG3 PRO 3 HG1 PRO 3 15.912 -0.523 -4.760 20 HD2 PRO 3 HD2 PRO 3 17.313 0.644 -7.131 21 HD3 PRO 3 HD1 PRO 3 16.706 -1.008 -6.878 22 H VAL 4 HN VAL 4 13.259 2.805 -8.287 23 HA VAL 4 HA VAL 4 15.219 4.998 -8.527 24 HB VAL 4 HB VAL 4 13.365 4.364 -10.768 25 HG11 VAL 4 HG11 VAL 4 14.630 6.295 -11.129 26 HG12 VAL 4 HG12 VAL 4 15.500 5.046 -12.019 27 HG13 VAL 4 HG13 VAL 4 16.088 5.578 -10.444 28 HG21 VAL 4 HG21 VAL 4 14.913 2.743 -11.704 29 HG22 VAL 4 HG22 VAL 4 14.319 2.189 -10.138 30 HG23 VAL 4 HG23 VAL 4 15.940 2.872 -10.275 31 H CYS 5 HN CYS 5 14.454 6.747 -7.548 32 HA CYS 5 HA CYS 5 11.597 7.305 -7.477 33 HB2 CYS 5 HB2 CYS 5 12.828 7.726 -5.430 34 HB3 CYS 5 HB1 CYS 5 13.985 8.740 -6.282 35 H GLY 6 HN GLY 6 10.806 8.082 -9.332 36 HA2 GLY 6 HA2 GLY 6 10.480 10.073 -10.669 37 HA3 GLY 6 HA1 GLY 6 12.216 10.361 -10.562 38 H ASN 7 HN ASN 7 10.868 7.213 -11.061 39 HA ASN 7 HA ASN 7 11.669 7.239 -13.887 40 HB2 ASN 7 HB2 ASN 7 12.813 5.737 -11.685 41 HB3 ASN 7 HB1 ASN 7 12.165 4.653 -12.912 42 HD21 ASN 7 HD21 ASN 7 13.830 3.958 -14.052 43 HD22 ASN 7 HD22 ASN 7 15.060 4.948 -14.752 44 H LYS 8 HN LYS 8 9.186 7.028 -11.881 45 HA LYS 8 HA LYS 8 7.049 6.348 -12.170 46 HB2 LYS 8 HB2 LYS 8 7.790 4.604 -14.497 47 HB3 LYS 8 HB1 LYS 8 6.275 5.437 -14.181 48 HG2 LYS 8 HG2 LYS 8 8.319 7.391 -14.429 49 HG3 LYS 8 HG1 LYS 8 8.456 6.270 -15.783 50 HD2 LYS 8 HD2 LYS 8 5.836 6.599 -15.863 51 HD3 LYS 8 HD1 LYS 8 6.237 8.115 -15.055 52 HE2 LYS 8 HE2 LYS 8 6.223 8.614 -17.355 53 HE3 LYS 8 HE1 LYS 8 7.924 8.490 -16.911 54 HZ1 LYS 8 HZ1 LYS 8 6.289 6.457 -18.323 55 HZ2 LYS 8 HZ2 LYS 8 7.848 6.163 -17.739 56 HZ3 LYS 8 HZ3 LYS 8 7.602 7.326 -18.942 57 H ILE 9 HN ILE 9 9.544 4.648 -11.164 58 HA ILE 9 HA ILE 9 8.036 2.147 -10.793 59 HB ILE 9 HB ILE 9 10.735 1.888 -9.880 60 HG12 ILE 9 HG12 ILE 9 10.480 2.895 -12.722 61 HG13 ILE 9 HG11 ILE 9 11.299 3.717 -11.397 62 HG21 ILE 9 HG21 ILE 9 9.552 -0.026 -10.483 63 HG22 ILE 9 HG22 ILE 9 10.752 0.167 -11.761 64 HG23 ILE 9 HG23 ILE 9 9.077 0.645 -12.043 65 HD11 ILE 9 HD11 ILE 9 12.122 1.246 -12.867 66 HD12 ILE 9 HD12 ILE 9 12.774 1.630 -11.273 67 HD13 ILE 9 HD13 ILE 9 13.017 2.745 -12.618 68 H LEU 10 HN LEU 10 6.924 2.317 -8.925 69 HA LEU 10 HA LEU 10 7.823 3.845 -6.697 70 HB2 LEU 10 HB2 LEU 10 5.996 2.501 -5.485 71 HB3 LEU 10 HB1 LEU 10 5.507 3.587 -6.771 72 HG LEU 10 HG LEU 10 6.025 0.811 -7.617 73 HD11 LEU 10 HD11 LEU 10 3.994 1.502 -5.553 74 HD12 LEU 10 HD12 LEU 10 4.957 0.036 -5.746 75 HD13 LEU 10 HD13 LEU 10 3.578 0.331 -6.805 76 HD21 LEU 10 HD21 LEU 10 4.401 1.258 -9.171 77 HD22 LEU 10 HD22 LEU 10 5.009 2.886 -8.868 78 HD23 LEU 10 HD23 LEU 10 3.518 2.344 -8.098 79 H GLU 11 HN GLU 11 10.016 2.742 -6.930 80 HA GLU 11 HA GLU 11 10.098 0.388 -5.172 81 HB2 GLU 11 HB2 GLU 11 10.699 -0.126 -7.520 82 HB3 GLU 11 HB1 GLU 11 12.015 1.033 -7.409 83 HG2 GLU 11 HG2 GLU 11 12.771 -1.280 -7.132 84 HG3 GLU 11 HG1 GLU 11 13.095 -0.293 -5.707 85 H GLN 12 HN GLN 12 11.875 3.298 -6.244 86 HA GLN 12 HA GLN 12 13.891 3.116 -4.268 87 HB2 GLN 12 HB2 GLN 12 13.557 4.665 -6.423 88 HB3 GLN 12 HB1 GLN 12 13.066 5.806 -5.184 89 HG2 GLN 12 HG2 GLN 12 15.560 4.354 -4.641 90 HG3 GLN 12 HG1 GLN 12 15.604 5.460 -6.013 91 HE21 GLN 12 HE21 GLN 12 16.020 7.511 -5.601 92 HE22 GLN 12 HE22 GLN 12 15.902 8.280 -4.058 93 H GLY 13 HN GLY 13 12.283 2.457 -2.533 94 HA2 GLY 13 HA2 GLY 13 10.974 2.932 -0.680 95 HA3 GLY 13 HA1 GLY 13 12.272 4.079 -0.400 96 H GLU 14 HN GLU 14 9.971 4.314 -3.043 97 HA GLU 14 HA GLU 14 9.102 6.874 -1.942 98 HB2 GLU 14 HB2 GLU 14 8.141 7.244 -4.229 99 HB3 GLU 14 HB1 GLU 14 9.886 7.049 -4.180 100 HG2 GLU 14 HG2 GLU 14 9.060 4.492 -4.615 101 HG3 GLU 14 HG1 GLU 14 7.842 5.421 -5.486 102 H ASP 15 HN ASP 15 7.598 4.050 -3.523 103 HA ASP 15 HA ASP 15 5.615 2.994 -3.140 104 HB2 ASP 15 HB2 ASP 15 6.297 3.639 -0.664 105 HB3 ASP 15 HB1 ASP 15 4.938 4.748 -0.819 106 H CYS 16 HN CYS 16 6.008 5.889 -4.307 107 HA CYS 16 HA CYS 16 3.569 6.153 -5.553 108 HB2 CYS 16 HB2 CYS 16 3.583 7.272 -2.856 109 HB3 CYS 16 HB1 CYS 16 3.138 8.454 -4.082 110 H ASP 17 HN ASP 17 5.303 6.482 -7.083 111 HA ASP 17 HA ASP 17 6.279 9.262 -7.073 112 HB2 ASP 17 HB2 ASP 17 8.120 7.711 -6.717 113 HB3 ASP 17 HB1 ASP 17 7.649 6.790 -8.141 114 H CYS 18 HN CYS 18 6.731 10.164 -9.184 115 HA CYS 18 HA CYS 18 5.110 9.040 -11.364 116 HB2 CYS 18 HB2 CYS 18 5.086 11.858 -10.297 117 HB3 CYS 18 HB1 CYS 18 4.602 11.498 -11.945 118 H GLY 19 HN GLY 19 6.237 8.881 -13.219 119 HA2 GLY 19 HA2 GLY 19 8.892 9.225 -13.561 120 HA3 GLY 19 HA1 GLY 19 7.757 9.402 -14.890 121 H SER 20 HN SER 20 6.471 11.748 -14.176 122 HA SER 20 HA SER 20 8.594 13.746 -13.900 123 HB2 SER 20 HB2 SER 20 6.827 13.333 -16.267 124 HB3 SER 20 HB1 SER 20 7.210 14.990 -15.800 125 HG SER 20 HG SER 20 9.420 14.446 -15.957 126 HA PRO 21 HA PRO 21 5.645 15.273 -10.868 127 HB2 PRO 21 HB2 PRO 21 7.134 17.780 -11.533 128 HB3 PRO 21 HB1 PRO 21 6.693 17.120 -9.953 129 HG2 PRO 21 HG2 PRO 21 9.180 16.889 -10.882 130 HG3 PRO 21 HG1 PRO 21 8.418 15.576 -9.966 131 HD2 PRO 21 HD2 PRO 21 8.990 15.770 -12.873 132 HD3 PRO 21 HD1 PRO 21 8.896 14.338 -11.829 133 H ALA 22 HN ALA 22 6.274 16.710 -14.011 134 HA ALA 22 HA ALA 22 3.894 18.352 -13.942 135 HB1 ALA 22 HB1 ALA 22 4.645 18.494 -16.506 136 HB2 ALA 22 HB2 ALA 22 6.171 17.972 -15.791 137 HB3 ALA 22 HB3 ALA 22 5.397 19.455 -15.232 138 H ASN 23 HN ASN 23 4.880 15.238 -15.133 139 HA ASN 23 HA ASN 23 2.270 14.887 -16.438 140 HB2 ASN 23 HB2 ASN 23 4.980 13.783 -16.951 141 HB3 ASN 23 HB1 ASN 23 3.618 12.701 -17.227 142 HD21 ASN 23 HD21 ASN 23 4.199 16.162 -17.769 143 HD22 ASN 23 HD22 ASN 23 3.742 16.150 -19.435 144 H CYS 24 HN CYS 24 3.011 14.704 -13.526 145 HA CYS 24 HA CYS 24 2.967 12.021 -12.696 146 HB2 CYS 24 HB2 CYS 24 3.668 13.878 -11.245 147 HB3 CYS 24 HB1 CYS 24 2.014 14.482 -11.224 148 H GLN 25 HN GLN 25 1.366 11.029 -13.976 149 HA GLN 25 HA GLN 25 -1.391 11.847 -13.722 150 HB2 GLN 25 HB2 GLN 25 -1.868 9.911 -15.161 151 HB3 GLN 25 HB1 GLN 25 -0.607 10.932 -15.838 152 HG2 GLN 25 HG2 GLN 25 1.093 9.383 -15.121 153 HG3 GLN 25 HG1 GLN 25 -0.113 8.392 -14.301 154 HE21 GLN 25 HE21 GLN 25 1.804 7.930 -16.586 155 HE22 GLN 25 HE22 GLN 25 0.822 7.248 -17.833 156 H ASP 26 HN ASP 26 -0.446 11.363 -11.206 157 HA ASP 26 HA ASP 26 -2.076 9.079 -10.413 158 HB2 ASP 26 HB2 ASP 26 0.597 8.708 -10.538 159 HB3 ASP 26 HB1 ASP 26 0.463 9.369 -8.911 160 H ARG 27 HN ARG 27 -3.602 10.392 -9.508 161 HA ARG 27 HA ARG 27 -3.090 12.677 -7.961 162 HB2 ARG 27 HB2 ARG 27 -5.259 12.203 -9.007 163 HB3 ARG 27 HB1 ARG 27 -5.498 10.854 -7.905 164 HG2 ARG 27 HG2 ARG 27 -5.556 12.367 -6.016 165 HG3 ARG 27 HG1 ARG 27 -5.226 13.737 -7.078 166 HD2 ARG 27 HD2 ARG 27 -7.654 11.952 -7.220 167 HD3 ARG 27 HD1 ARG 27 -7.607 13.560 -6.501 168 HE ARG 27 HE ARG 27 -7.560 14.493 -8.615 169 HH11 ARG 27 HH11 ARG 27 -7.254 11.019 -8.836 170 HH12 ARG 27 HH12 ARG 27 -7.531 10.982 -10.544 171 HH21 ARG 27 HH21 ARG 27 -7.924 14.439 -10.860 172 HH22 ARG 27 HH22 ARG 27 -7.910 12.920 -11.693 173 H CYS 28 HN CYS 28 -2.962 9.319 -7.161 174 HA CYS 28 HA CYS 28 -3.010 9.899 -4.294 175 HB2 CYS 28 HB2 CYS 28 -3.230 7.389 -5.918 176 HB3 CYS 28 HB1 CYS 28 -2.763 7.298 -4.222 177 H CYS 29 HN CYS 29 -0.752 9.789 -6.733 178 HA CYS 29 HA CYS 29 1.396 9.317 -4.791 179 HB2 CYS 29 HB2 CYS 29 1.279 8.164 -7.585 180 HB3 CYS 29 HB1 CYS 29 2.694 8.118 -6.541 181 H ASN 30 HN ASN 30 2.805 10.945 -4.758 182 HA ASN 30 HA ASN 30 2.896 12.754 -7.084 183 HB2 ASN 30 HB2 ASN 30 2.004 13.846 -5.107 184 HB3 ASN 30 HB1 ASN 30 3.396 13.336 -4.159 185 HD21 ASN 30 HD21 ASN 30 4.461 15.119 -3.673 186 HD22 ASN 30 HD22 ASN 30 4.948 16.342 -4.792 187 H ALA 31 HN ALA 31 4.752 13.097 -8.105 188 HA ALA 31 HA ALA 31 7.044 11.502 -7.518 189 HB1 ALA 31 HB1 ALA 31 6.924 11.856 -9.761 190 HB2 ALA 31 HB2 ALA 31 8.005 13.180 -9.343 191 HB3 ALA 31 HB3 ALA 31 6.285 13.486 -9.587 192 H ALA 32 HN ALA 32 6.289 14.945 -7.264 193 HA ALA 32 HA ALA 32 8.757 15.946 -6.526 194 HB1 ALA 32 HB1 ALA 32 6.712 17.244 -4.988 195 HB2 ALA 32 HB2 ALA 32 6.121 16.898 -6.613 196 HB3 ALA 32 HB3 ALA 32 7.599 17.834 -6.394 197 H THR 33 HN THR 33 6.693 13.855 -4.745 198 HA THR 33 HA THR 33 8.352 14.250 -2.342 199 HB THR 33 HB THR 33 5.914 14.874 -2.112 200 HG1 THR 33 HG1 THR 33 5.891 14.113 -0.105 201 HG21 THR 33 HG21 THR 33 5.295 11.957 -2.007 202 HG22 THR 33 HG22 THR 33 5.182 12.831 -3.533 203 HG23 THR 33 HG23 THR 33 4.204 13.335 -2.156 204 H CYS 34 HN CYS 34 7.179 12.079 -4.738 205 HA CYS 34 HA CYS 34 7.495 9.875 -5.135 206 HB2 CYS 34 HB2 CYS 34 9.929 10.841 -3.995 207 HB3 CYS 34 HB1 CYS 34 9.636 9.230 -3.350 208 H LYS 35 HN LYS 35 5.552 10.525 -3.350 209 HA LYS 35 HA LYS 35 5.227 8.086 -1.910 210 HB2 LYS 35 HB2 LYS 35 5.792 8.640 0.192 211 HB3 LYS 35 HB1 LYS 35 6.663 9.986 -0.525 212 HG2 LYS 35 HG2 LYS 35 4.723 11.430 -0.186 213 HG3 LYS 35 HG1 LYS 35 3.839 10.077 0.523 214 HD2 LYS 35 HD2 LYS 35 5.864 9.942 2.145 215 HD3 LYS 35 HD1 LYS 35 6.176 11.596 1.615 216 HE2 LYS 35 HE2 LYS 35 3.660 11.960 2.166 217 HE3 LYS 35 HE1 LYS 35 3.845 10.499 3.134 218 HZ1 LYS 35 HZ1 LYS 35 5.843 11.709 4.136 219 HZ2 LYS 35 HZ2 LYS 35 4.299 12.213 4.607 220 HZ3 LYS 35 HZ3 LYS 35 5.172 13.113 3.472 221 H LEU 36 HN LEU 36 3.142 8.064 -0.678 222 HA LEU 36 HA LEU 36 1.009 8.796 -2.242 223 HB2 LEU 36 HB2 LEU 36 1.188 8.273 0.713 224 HB3 LEU 36 HB1 LEU 36 -0.342 8.608 -0.072 225 HG LEU 36 HG LEU 36 1.334 6.429 -1.209 226 HD11 LEU 36 HD11 LEU 36 1.526 5.899 1.108 227 HD12 LEU 36 HD12 LEU 36 0.299 4.840 0.413 228 HD13 LEU 36 HD13 LEU 36 -0.184 6.232 1.383 229 HD21 LEU 36 HD21 LEU 36 -0.948 5.425 -1.464 230 HD22 LEU 36 HD22 LEU 36 -0.701 6.938 -2.335 231 HD23 LEU 36 HD23 LEU 36 -1.610 6.929 -0.824 232 H THR 37 HN THR 37 -0.386 10.496 -2.388 233 HA THR 37 HA THR 37 0.547 13.014 -1.251 234 HB THR 37 HB THR 37 -0.695 14.103 -2.921 235 HG1 THR 37 HG1 THR 37 -2.187 11.708 -3.125 236 HG21 THR 37 HG21 THR 37 1.152 12.532 -3.796 237 HG22 THR 37 HG22 THR 37 0.014 13.246 -4.939 238 HG23 THR 37 HG23 THR 37 -0.191 11.573 -4.419 239 HA PRO 38 HA PRO 38 -2.516 13.757 1.818 240 HB2 PRO 38 HB2 PRO 38 -3.657 15.943 0.136 241 HB3 PRO 38 HB1 PRO 38 -3.147 15.975 1.828 242 HG2 PRO 38 HG2 PRO 38 -1.626 17.069 -0.057 243 HG3 PRO 38 HG1 PRO 38 -0.898 16.165 1.284 244 HD2 PRO 38 HD2 PRO 38 -1.289 15.354 -1.560 245 HD3 PRO 38 HD1 PRO 38 0.042 14.971 -0.449 246 H GLY 39 HN GLY 39 -4.080 12.282 2.026 247 HA2 GLY 39 HA2 GLY 39 -6.442 11.835 1.823 248 HA3 GLY 39 HA1 GLY 39 -6.364 12.423 0.169 249 H SER 40 HN SER 40 -3.707 10.480 0.949 250 HA SER 40 HA SER 40 -5.017 8.004 0.127 251 HB2 SER 40 HB2 SER 40 -2.493 8.837 -1.279 252 HB3 SER 40 HB1 SER 40 -3.677 7.622 -1.758 253 HG SER 40 HG SER 40 -3.711 10.380 -2.101 254 H GLN 41 HN GLN 41 -4.335 6.380 1.357 255 HA GLN 41 HA GLN 41 -1.732 6.656 2.710 256 HB2 GLN 41 HB2 GLN 41 -4.354 5.515 3.602 257 HB3 GLN 41 HB1 GLN 41 -2.860 4.919 4.313 258 HG2 GLN 41 HG2 GLN 41 -2.443 7.547 4.575 259 HG3 GLN 41 HG1 GLN 41 -4.205 7.526 4.625 260 HE21 GLN 41 HE21 GLN 41 -4.764 5.238 5.932 261 HE22 GLN 41 HE22 GLN 41 -4.134 5.286 7.540 262 H CYS 42 HN CYS 42 -3.746 4.610 0.753 263 HA CYS 42 HA CYS 42 -1.525 2.695 0.526 264 HB2 CYS 42 HB2 CYS 42 -3.781 2.087 1.906 265 HB3 CYS 42 HB1 CYS 42 -4.209 1.537 0.290 266 H ASN 43 HN ASN 43 -0.841 3.156 -1.483 267 HA ASN 43 HA ASN 43 -2.795 3.497 -3.632 268 HB2 ASN 43 HB2 ASN 43 -0.907 4.265 -4.974 269 HB3 ASN 43 HB1 ASN 43 -0.960 5.133 -3.442 270 HD21 ASN 43 HD21 ASN 43 1.091 3.870 -5.554 271 HD22 ASN 43 HD22 ASN 43 2.384 3.394 -4.512 272 H TYR 44 HN TYR 44 -1.074 1.013 -2.222 273 HA TYR 44 HA TYR 44 -1.808 -0.898 -4.123 274 HB2 TYR 44 HB2 TYR 44 -0.028 -1.206 -5.507 275 HB3 TYR 44 HB1 TYR 44 0.268 0.492 -5.153 276 HD1 TYR 44 HD1 TYR 44 1.152 -2.932 -4.015 277 HD2 TYR 44 HD2 TYR 44 2.314 1.150 -4.247 278 HE1 TYR 44 HE1 TYR 44 3.354 -3.522 -3.127 279 HE2 TYR 44 HE2 TYR 44 4.533 0.577 -3.364 280 HH TYR 44 HH TYR 44 5.930 -1.998 -3.422 281 H GLY 45 HN GLY 45 -1.807 -2.829 -3.141 282 HA2 GLY 45 HA2 GLY 45 -0.230 -4.299 -1.707 283 HA3 GLY 45 HA1 GLY 45 -0.454 -3.002 -0.541 284 H GLU 46 HN GLU 46 -1.136 -5.499 0.213 285 HA GLU 46 HA GLU 46 -3.696 -6.420 -0.338 286 HB2 GLU 46 HB2 GLU 46 -1.829 -6.682 1.975 287 HB3 GLU 46 HB1 GLU 46 -3.469 -7.296 2.131 288 HG2 GLU 46 HG2 GLU 46 -1.843 -9.012 1.434 289 HG3 GLU 46 HG1 GLU 46 -3.156 -8.785 0.279 290 H CYS 47 HN CYS 47 -2.664 -4.176 2.215 291 HA CYS 47 HA CYS 47 -5.262 -3.926 3.348 292 HB2 CYS 47 HB2 CYS 47 -2.610 -2.684 3.743 293 HB3 CYS 47 HB1 CYS 47 -3.996 -1.751 4.291 294 H CYS 48 HN CYS 48 -3.836 -2.436 0.593 295 HA CYS 48 HA CYS 48 -5.157 0.049 0.746 296 HB2 CYS 48 HB2 CYS 48 -4.367 -1.255 -1.840 297 HB3 CYS 48 HB1 CYS 48 -4.390 0.458 -1.425 298 H ASP 49 HN ASP 49 -6.931 0.855 -0.185 299 HA ASP 49 HA ASP 49 -8.704 -0.535 -1.885 300 HB2 ASP 49 HB2 ASP 49 -8.963 -1.593 0.538 301 HB3 ASP 49 HB1 ASP 49 -9.944 -0.156 0.811 302 H GLN 50 HN GLN 50 -9.262 1.192 -3.062 303 HA GLN 50 HA GLN 50 -10.097 3.231 -3.641 304 HB2 GLN 50 HB2 GLN 50 -11.890 2.579 -1.983 305 HB3 GLN 50 HB1 GLN 50 -11.007 3.500 -0.773 306 HG2 GLN 50 HG2 GLN 50 -12.300 5.199 -1.399 307 HG3 GLN 50 HG1 GLN 50 -11.227 5.311 -2.793 308 HE21 GLN 50 HE21 GLN 50 -11.902 3.472 -4.478 309 HE22 GLN 50 HE22 GLN 50 -13.569 3.543 -4.927 310 H CYS 51 HN CYS 51 -7.406 2.891 -2.651 311 HA CYS 51 HA CYS 51 -5.568 4.151 -2.246 312 HB2 CYS 51 HB2 CYS 51 -7.582 6.175 -2.999 313 HB3 CYS 51 HB1 CYS 51 -6.194 6.780 -2.101 314 H ARG 52 HN ARG 52 -7.335 3.186 -0.079 315 HA ARG 52 HA ARG 52 -6.160 4.801 2.056 316 HB2 ARG 52 HB2 ARG 52 -9.091 4.264 1.683 317 HB3 ARG 52 HB1 ARG 52 -8.426 4.476 3.297 318 HG2 ARG 52 HG2 ARG 52 -7.388 6.622 1.953 319 HG3 ARG 52 HG1 ARG 52 -8.986 6.447 1.223 320 HD2 ARG 52 HD2 ARG 52 -10.064 7.021 3.126 321 HD3 ARG 52 HD1 ARG 52 -8.878 6.226 4.162 322 HE ARG 52 HE ARG 52 -7.738 8.208 4.330 323 HH11 ARG 52 HH11 ARG 52 -10.049 8.440 1.724 324 HH12 ARG 52 HH12 ARG 52 -9.814 10.141 1.501 325 HH21 ARG 52 HH21 ARG 52 -7.428 10.445 4.037 326 HH22 ARG 52 HH22 ARG 52 -8.326 11.279 2.813 327 H PHE 53 HN PHE 53 -5.729 3.643 3.962 328 HA PHE 53 HA PHE 53 -5.235 0.895 3.632 329 HB2 PHE 53 HB2 PHE 53 -5.264 2.630 6.101 330 HB3 PHE 53 HB1 PHE 53 -4.858 0.916 6.154 331 HD1 PHE 53 HD2 PHE 53 -3.421 0.885 3.452 332 HD2 PHE 53 HD1 PHE 53 -3.149 3.443 6.837 333 HE1 PHE 53 HE2 PHE 53 -1.110 1.395 2.865 334 HE2 PHE 53 HE1 PHE 53 -0.816 3.963 6.256 335 HZ PHE 53 HZ PHE 53 0.213 2.939 4.265 336 H LYS 54 HN LYS 54 -6.247 -0.909 4.300 337 HA LYS 54 HA LYS 54 -9.072 -0.810 4.542 338 HB2 LYS 54 HB2 LYS 54 -6.999 -2.868 4.394 339 HB3 LYS 54 HB1 LYS 54 -8.346 -3.326 5.427 340 HG2 LYS 54 HG2 LYS 54 -9.784 -3.509 3.705 341 HG3 LYS 54 HG1 LYS 54 -9.070 -2.156 2.824 342 HD2 LYS 54 HD2 LYS 54 -7.110 -3.667 2.333 343 HD3 LYS 54 HD1 LYS 54 -8.076 -4.995 2.979 344 HE2 LYS 54 HE2 LYS 54 -9.838 -3.906 1.251 345 HE3 LYS 54 HE1 LYS 54 -8.322 -3.528 0.434 346 HZ1 LYS 54 HZ1 LYS 54 -9.222 -6.226 1.288 347 HZ2 LYS 54 HZ2 LYS 54 -7.732 -5.885 0.564 348 HZ3 LYS 54 HZ3 LYS 54 -9.166 -5.648 -0.301 349 H LYS 55 HN LYS 55 -9.917 0.162 6.294 350 HA LYS 55 HA LYS 55 -9.066 0.664 8.748 351 HB2 LYS 55 HB2 LYS 55 -11.361 1.133 7.955 352 HB3 LYS 55 HB1 LYS 55 -11.784 -0.552 8.225 353 HG2 LYS 55 HG2 LYS 55 -12.605 0.592 10.090 354 HG3 LYS 55 HG1 LYS 55 -11.115 -0.172 10.646 355 HD2 LYS 55 HD2 LYS 55 -10.032 2.102 9.951 356 HD3 LYS 55 HD1 LYS 55 -11.683 2.710 10.097 357 HE2 LYS 55 HE2 LYS 55 -11.065 3.037 12.246 358 HE3 LYS 55 HE1 LYS 55 -11.504 1.335 12.395 359 HZ1 LYS 55 HZ1 LYS 55 -9.019 1.003 11.714 360 HZ2 LYS 55 HZ2 LYS 55 -9.433 1.333 13.320 361 HZ3 LYS 55 HZ3 LYS 55 -8.846 2.571 12.328 362 H ALA 56 HN ALA 56 -8.254 -0.355 10.460 363 HA ALA 56 HA ALA 56 -7.455 -2.918 10.580 364 HB1 ALA 56 HB1 ALA 56 -6.635 -1.726 12.341 365 HB2 ALA 56 HB2 ALA 56 -7.873 -2.673 13.167 366 HB3 ALA 56 HB3 ALA 56 -8.196 -0.997 12.718 367 H GLY 57 HN GLY 57 -8.321 -4.870 10.767 368 HA2 GLY 57 HA2 GLY 57 -9.979 -6.301 11.912 369 HA3 GLY 57 HA1 GLY 57 -11.157 -5.028 11.613 370 H THR 58 HN THR 58 -9.550 -4.817 8.908 371 HA THR 58 HA THR 58 -11.407 -6.443 7.424 372 HB THR 58 HB THR 58 -9.076 -4.731 6.524 373 HG1 THR 58 HG1 THR 58 -10.647 -3.422 7.322 374 HG21 THR 58 HG21 THR 58 -10.397 -6.656 5.034 375 HG22 THR 58 HG22 THR 58 -9.401 -5.328 4.426 376 HG23 THR 58 HG23 THR 58 -11.148 -5.127 4.571 377 H VAL 59 HN VAL 59 -11.071 -8.534 6.978 378 HA VAL 59 HA VAL 59 -8.499 -9.717 7.449 379 HB VAL 59 HB VAL 59 -10.557 -10.924 8.044 380 HG11 VAL 59 HG11 VAL 59 -11.586 -10.052 5.717 381 HG12 VAL 59 HG12 VAL 59 -12.231 -11.424 6.618 382 HG13 VAL 59 HG13 VAL 59 -11.138 -11.696 5.261 383 HG21 VAL 59 HG21 VAL 59 -9.885 -13.004 6.398 384 HG22 VAL 59 HG22 VAL 59 -9.069 -12.590 7.906 385 HG23 VAL 59 HG23 VAL 59 -8.427 -12.013 6.368 386 H CYS 60 HN CYS 60 -6.907 -9.788 6.008 387 HA CYS 60 HA CYS 60 -7.586 -9.619 3.154 388 HB2 CYS 60 HB2 CYS 60 -4.846 -9.274 4.355 389 HB3 CYS 60 HB1 CYS 60 -5.388 -8.799 2.750 390 H ARG 61 HN ARG 61 -6.174 -11.693 5.537 391 HA ARG 61 HA ARG 61 -5.887 -13.799 3.541 392 HB2 ARG 61 HB2 ARG 61 -3.654 -12.372 4.436 393 HB3 ARG 61 HB1 ARG 61 -3.618 -13.872 5.352 394 HG2 ARG 61 HG2 ARG 61 -4.082 -14.882 2.930 395 HG3 ARG 61 HG1 ARG 61 -3.253 -13.402 2.456 396 HD2 ARG 61 HD2 ARG 61 -2.232 -15.778 3.918 397 HD3 ARG 61 HD1 ARG 61 -1.462 -14.809 2.667 398 HE ARG 61 HE ARG 61 -1.081 -14.540 5.430 399 HH11 ARG 61 HH11 ARG 61 -1.570 -12.551 2.599 400 HH12 ARG 61 HH12 ARG 61 -0.771 -11.175 3.279 401 HH21 ARG 61 HH21 ARG 61 -0.039 -12.732 6.321 402 HH22 ARG 61 HH22 ARG 61 0.102 -11.278 5.390 403 H ILE 62 HN ILE 62 -4.942 -15.838 4.866 404 HA ILE 62 HA ILE 62 -5.593 -16.175 7.552 405 HB ILE 62 HB ILE 62 -7.901 -15.843 6.982 406 HG12 ILE 62 HG12 ILE 62 -8.867 -18.015 7.673 407 HG13 ILE 62 HG11 ILE 62 -7.314 -18.786 7.368 408 HG21 ILE 62 HG21 ILE 62 -7.283 -16.825 4.529 409 HG22 ILE 62 HG22 ILE 62 -8.924 -16.574 5.125 410 HG23 ILE 62 HG23 ILE 62 -8.184 -18.173 5.227 411 HD11 ILE 62 HD11 ILE 62 -6.345 -17.203 9.079 412 HD12 ILE 62 HD12 ILE 62 -7.439 -18.446 9.687 413 HD13 ILE 62 HD13 ILE 62 -8.008 -16.788 9.493 414 H ALA 63 HN ALA 63 -4.722 -18.022 8.241 415 HA ALA 63 HA ALA 63 -3.185 -19.601 6.525 416 HB1 ALA 63 HB1 ALA 63 -3.760 -21.092 8.879 417 HB2 ALA 63 HB2 ALA 63 -3.564 -19.393 9.312 418 HB3 ALA 63 HB3 ALA 63 -2.282 -20.235 8.443 419 H ARG 64 HN ARG 64 -6.074 -20.649 8.354 420 HA ARG 64 HA ARG 64 -7.146 -21.926 6.034 421 HB2 ARG 64 HB2 ARG 64 -5.445 -23.474 7.810 422 HB3 ARG 64 HB1 ARG 64 -7.044 -24.181 7.633 423 HG2 ARG 64 HG2 ARG 64 -6.255 -25.135 5.789 424 HG3 ARG 64 HG1 ARG 64 -6.366 -23.538 5.049 425 HD2 ARG 64 HD2 ARG 64 -3.981 -23.344 6.313 426 HD3 ARG 64 HD1 ARG 64 -4.006 -25.064 5.926 427 HE ARG 64 HE ARG 64 -4.718 -23.461 3.680 428 HH11 ARG 64 HH11 ARG 64 -1.999 -24.600 5.548 429 HH12 ARG 64 HH12 ARG 64 -0.882 -24.476 4.231 430 HH21 ARG 64 HH21 ARG 64 -3.250 -23.298 1.946 431 HH22 ARG 64 HH22 ARG 64 -1.592 -23.736 2.186 432 H GLY 65 HN GLY 65 -7.520 -23.241 9.264 433 HA2 GLY 65 HA2 GLY 65 -10.303 -23.170 9.195 434 HA3 GLY 65 HA1 GLY 65 -9.332 -23.351 10.646 435 H ASP 66 HN ASP 66 -8.833 -21.583 11.869 436 HA ASP 66 HA ASP 66 -9.328 -18.909 11.411 437 HB2 ASP 66 HB2 ASP 66 -11.769 -20.250 11.507 438 HB3 ASP 66 HB1 ASP 66 -11.594 -19.584 13.128 439 H TRP 67 HN TRP 67 -7.472 -18.890 12.648 440 HA TRP 67 HA TRP 67 -7.815 -19.484 15.514 441 HB2 TRP 67 HB2 TRP 67 -5.062 -19.412 14.917 442 HB3 TRP 67 HB1 TRP 67 -6.031 -20.828 15.299 443 HD1 TRP 67 HD1 TRP 67 -5.199 -18.740 12.120 444 HE1 TRP 67 HE1 TRP 67 -5.006 -20.364 10.150 445 HE3 TRP 67 HE3 TRP 67 -6.297 -23.085 14.558 446 HZ2 TRP 67 HZ2 TRP 67 -5.257 -23.144 9.685 447 HZ3 TRP 67 HZ3 TRP 67 -6.295 -25.192 13.281 448 HH2 TRP 67 HH2 TRP 67 -5.786 -25.217 10.892 449 H ASN 68 HN ASN 68 -5.499 -17.701 13.542 450 HA ASN 68 HA ASN 68 -5.728 -15.425 15.389 451 HB2 ASN 68 HB2 ASN 68 -3.478 -15.668 13.444 452 HB3 ASN 68 HB1 ASN 68 -3.498 -14.937 15.044 453 HD21 ASN 68 HD21 ASN 68 -3.714 -18.069 13.402 454 HD22 ASN 68 HD22 ASN 68 -2.916 -18.970 14.640 455 H ASP 69 HN ASP 69 -5.937 -16.455 12.079 456 HA ASP 69 HA ASP 69 -6.718 -15.441 10.199 457 HB2 ASP 69 HB2 ASP 69 -7.877 -13.742 12.357 458 HB3 ASP 69 HB1 ASP 69 -8.019 -13.226 10.682 459 H ASP 70 HN ASP 70 -6.688 -13.337 8.963 460 HA ASP 70 HA ASP 70 -4.257 -11.825 9.612 461 HB2 ASP 70 HB2 ASP 70 -3.985 -13.339 7.634 462 HB3 ASP 70 HB1 ASP 70 -5.291 -12.464 6.850 463 H TYR 71 HN TYR 71 -4.724 -9.791 10.107 464 HA TYR 71 HA TYR 71 -6.996 -8.544 8.722 465 HB2 TYR 71 HB2 TYR 71 -6.421 -8.654 11.660 466 HB3 TYR 71 HB1 TYR 71 -7.429 -7.390 10.961 467 HD1 TYR 71 HD1 TYR 71 -9.421 -8.087 9.612 468 HD2 TYR 71 HD2 TYR 71 -7.333 -10.762 12.154 469 HE1 TYR 71 HE1 TYR 71 -11.387 -9.535 9.656 470 HE2 TYR 71 HE2 TYR 71 -9.283 -12.246 12.220 471 HH TYR 71 HH TYR 71 -11.795 -12.009 11.885 472 H CYS 72 HN CYS 72 -6.894 -6.443 8.257 473 HA CYS 72 HA CYS 72 -4.340 -5.215 8.075 474 HB2 CYS 72 HB2 CYS 72 -6.348 -4.886 6.533 475 HB3 CYS 72 HB1 CYS 72 -7.003 -3.830 7.779 476 H THR 73 HN THR 73 -3.859 -3.033 8.969 477 HA THR 73 HA THR 73 -4.978 -2.731 11.678 478 HB THR 73 HB THR 73 -2.861 -2.219 12.549 479 HG1 THR 73 HG1 THR 73 -1.076 -1.770 11.228 480 HG21 THR 73 HG21 THR 73 -1.777 -4.170 12.365 481 HG22 THR 73 HG22 THR 73 -1.709 -4.087 10.605 482 HG23 THR 73 HG23 THR 73 -3.180 -4.642 11.405 483 H GLY 74 HN GLY 74 -5.324 -1.394 8.850 484 HA2 GLY 74 HA2 GLY 74 -5.739 0.708 8.029 485 HA3 GLY 74 HA1 GLY 74 -6.266 1.054 9.668 486 H LYS 75 HN LYS 75 -2.963 0.159 9.048 487 HA LYS 75 HA LYS 75 -2.139 2.968 9.157 488 HB2 LYS 75 HB2 LYS 75 -1.206 0.791 11.027 489 HB3 LYS 75 HB1 LYS 75 -0.377 2.330 10.837 490 HG2 LYS 75 HG2 LYS 75 -2.562 3.435 11.470 491 HG3 LYS 75 HG1 LYS 75 -3.125 1.829 11.937 492 HD2 LYS 75 HD2 LYS 75 -0.494 2.583 13.008 493 HD3 LYS 75 HD1 LYS 75 -1.844 3.556 13.596 494 HE2 LYS 75 HE2 LYS 75 -1.609 0.551 13.706 495 HE3 LYS 75 HE1 LYS 75 -1.470 1.665 15.066 496 HZ1 LYS 75 HZ1 LYS 75 -3.838 0.700 13.697 497 HZ2 LYS 75 HZ2 LYS 75 -3.858 2.342 14.105 498 HZ3 LYS 75 HZ3 LYS 75 -3.635 1.175 15.309 499 H SER 76 HN SER 76 -2.000 0.301 7.382 500 HA SER 76 HA SER 76 0.353 1.099 6.009 501 HB2 SER 76 HB2 SER 76 0.554 -1.126 7.967 502 HB3 SER 76 HB1 SER 76 1.347 -1.358 6.409 503 HG SER 76 HG SER 76 2.839 -0.024 7.024 504 H SER 77 HN SER 77 0.958 -0.555 4.284 505 HA SER 77 HA SER 77 -1.502 -1.444 3.006 506 HB2 SER 77 HB2 SER 77 -0.285 -1.491 0.989 507 HB3 SER 77 HB1 SER 77 0.384 -0.110 1.860 508 HG SER 77 HG SER 77 2.100 -1.292 1.130 509 H ASP 78 HN ASP 78 0.174 -2.833 5.277 510 HA ASP 78 HA ASP 78 0.281 -5.472 3.973 511 HB2 ASP 78 HB2 ASP 78 1.879 -4.291 6.230 512 HB3 ASP 78 HB1 ASP 78 1.748 -6.036 6.030 513 H CYS 79 HN CYS 79 -0.714 -7.202 4.898 514 HA CYS 79 HA CYS 79 -2.492 -6.630 7.185 515 HB2 CYS 79 HB2 CYS 79 -3.116 -7.501 4.558 516 HB3 CYS 79 HB1 CYS 79 -3.402 -8.867 5.633 517 HA PRO 80 HA PRO 80 0.295 -9.865 8.811 518 HB2 PRO 80 HB2 PRO 80 -0.398 -9.479 11.417 519 HB3 PRO 80 HB1 PRO 80 0.797 -8.488 10.574 520 HG2 PRO 80 HG2 PRO 80 -2.093 -7.918 11.113 521 HG3 PRO 80 HG1 PRO 80 -0.692 -6.840 11.269 522 HD2 PRO 80 HD2 PRO 80 -2.335 -6.739 9.139 523 HD3 PRO 80 HD1 PRO 80 -0.593 -6.434 8.994 524 H TRP 81 HN TRP 81 -0.222 -11.941 8.867 525 HA TRP 81 HA TRP 81 -2.969 -12.738 9.414 526 HB2 TRP 81 HB2 TRP 81 -2.381 -14.888 8.415 527 HB3 TRP 81 HB1 TRP 81 -2.036 -13.546 7.336 528 HD1 TRP 81 HD1 TRP 81 0.857 -13.130 9.231 529 HE1 TRP 81 HE1 TRP 81 2.826 -14.573 8.425 530 HE3 TRP 81 HE3 TRP 81 -1.737 -16.553 6.517 531 HZ2 TRP 81 HZ2 TRP 81 3.213 -16.873 6.833 532 HZ3 TRP 81 HZ3 TRP 81 -0.507 -18.359 5.375 533 HH2 TRP 81 HH2 TRP 81 1.926 -18.515 5.537 534 H ASN 82 HN ASN 82 -0.001 -12.709 10.940 535 HA ASN 82 HA ASN 82 0.782 -13.517 12.917 536 HB2 ASN 82 HB2 ASN 82 -2.186 -13.876 13.310 537 HB3 ASN 82 HB1 ASN 82 -1.020 -14.293 14.562 538 HD21 ASN 82 HD21 ASN 82 -1.756 -11.618 12.348 539 HD22 ASN 82 HD22 ASN 82 -1.494 -10.364 13.506 540 H HIS 83 HN HIS 83 0.956 -15.238 10.742 541 HA HIS 83 HA HIS 83 0.751 -17.840 12.089 542 HB2 HIS 83 HB2 HIS 83 0.183 -17.443 9.148 543 HB3 HIS 83 HB1 HIS 83 -0.013 -18.921 10.087 544 HD1 HIS 83 HD1 HIS 83 -2.188 -16.984 8.476 545 HD2 HIS 83 HD2 HIS 83 -1.794 -17.698 12.546 546 HE1 HIS 83 HE1 HIS 83 -4.434 -16.454 9.471 547 HE2 HIS 83 HE2 HIS 83 -4.130 -16.777 11.950 Start of MODEL 40 1 H1 SER 1 HT1 SER 1 19.932 2.458 -8.703 2 H2 SER 1 HT2 SER 1 20.710 1.847 -10.106 3 H3 SER 1 HT3 SER 1 21.193 1.307 -8.550 4 HA SER 1 HA SER 1 19.821 -0.267 -9.799 5 HB2 SER 1 HB2 SER 1 20.038 0.095 -7.207 6 HB3 SER 1 HB1 SER 1 18.365 0.635 -7.335 7 HG SER 1 HG SER 1 18.841 -1.712 -6.940 8 HA PRO 2 HA PRO 2 16.251 1.010 -12.029 9 HB2 PRO 2 HB2 PRO 2 14.825 -1.295 -10.803 10 HB3 PRO 2 HB1 PRO 2 15.029 -0.872 -12.505 11 HG2 PRO 2 HG2 PRO 2 16.425 -2.865 -11.414 12 HG3 PRO 2 HG1 PRO 2 17.154 -1.785 -12.617 13 HD2 PRO 2 HD2 PRO 2 17.528 -1.856 -9.657 14 HD3 PRO 2 HD1 PRO 2 18.701 -1.484 -10.935 15 HA PRO 3 HA PRO 3 13.025 1.248 -8.331 16 HB2 PRO 3 HB2 PRO 3 14.866 0.932 -6.037 17 HB3 PRO 3 HB1 PRO 3 13.249 0.271 -6.285 18 HG2 PRO 3 HG2 PRO 3 15.406 -1.289 -6.433 19 HG3 PRO 3 HG1 PRO 3 14.023 -1.524 -7.520 20 HD2 PRO 3 HD2 PRO 3 16.658 -0.211 -8.060 21 HD3 PRO 3 HD1 PRO 3 15.708 -1.298 -9.092 22 H VAL 4 HN VAL 4 13.625 3.305 -9.443 23 HA VAL 4 HA VAL 4 14.834 5.215 -7.553 24 HB VAL 4 HB VAL 4 14.763 5.516 -10.552 25 HG11 VAL 4 HG11 VAL 4 16.736 7.123 -9.715 26 HG12 VAL 4 HG12 VAL 4 15.692 7.179 -8.294 27 HG13 VAL 4 HG13 VAL 4 15.061 7.653 -9.871 28 HG21 VAL 4 HG21 VAL 4 16.372 3.768 -9.088 29 HG22 VAL 4 HG22 VAL 4 17.397 5.162 -9.429 30 HG23 VAL 4 HG23 VAL 4 16.614 4.298 -10.752 31 H CYS 5 HN CYS 5 13.897 7.306 -7.422 32 HA CYS 5 HA CYS 5 11.035 7.284 -7.803 33 HB2 CYS 5 HB2 CYS 5 12.460 8.395 -5.876 34 HB3 CYS 5 HB1 CYS 5 12.562 9.742 -7.005 35 H GLY 6 HN GLY 6 10.924 7.109 -10.030 36 HA2 GLY 6 HA2 GLY 6 10.210 8.890 -11.716 37 HA3 GLY 6 HA1 GLY 6 11.889 9.407 -11.589 38 H ASN 7 HN ASN 7 10.947 6.077 -11.378 39 HA ASN 7 HA ASN 7 12.091 5.539 -14.036 40 HB2 ASN 7 HB2 ASN 7 12.690 4.381 -11.369 41 HB3 ASN 7 HB1 ASN 7 12.516 3.215 -12.678 42 HD21 ASN 7 HD21 ASN 7 13.878 6.487 -12.534 43 HD22 ASN 7 HD22 ASN 7 15.431 6.051 -13.152 44 H LYS 8 HN LYS 8 9.389 5.561 -12.207 45 HA LYS 8 HA LYS 8 7.293 4.914 -12.807 46 HB2 LYS 8 HB2 LYS 8 8.467 2.574 -14.319 47 HB3 LYS 8 HB1 LYS 8 6.811 3.159 -14.383 48 HG2 LYS 8 HG2 LYS 8 8.163 5.379 -15.144 49 HG3 LYS 8 HG1 LYS 8 9.203 4.108 -15.789 50 HD2 LYS 8 HD2 LYS 8 6.235 4.344 -16.278 51 HD3 LYS 8 HD1 LYS 8 7.495 4.844 -17.408 52 HE2 LYS 8 HE2 LYS 8 8.341 2.412 -17.169 53 HE3 LYS 8 HE1 LYS 8 6.733 2.085 -16.525 54 HZ1 LYS 8 HZ1 LYS 8 7.234 1.867 -19.066 55 HZ2 LYS 8 HZ2 LYS 8 6.954 3.535 -19.063 56 HZ3 LYS 8 HZ3 LYS 8 5.748 2.475 -18.530 57 H ILE 9 HN ILE 9 9.363 3.991 -10.812 58 HA ILE 9 HA ILE 9 7.747 1.859 -9.620 59 HB ILE 9 HB ILE 9 10.766 2.064 -9.669 60 HG12 ILE 9 HG12 ILE 9 9.937 -0.536 -10.268 61 HG13 ILE 9 HG11 ILE 9 8.811 0.503 -11.136 62 HG21 ILE 9 HG21 ILE 9 10.506 1.390 -7.505 63 HG22 ILE 9 HG22 ILE 9 10.434 -0.177 -8.312 64 HG23 ILE 9 HG23 ILE 9 8.946 0.626 -7.812 65 HD11 ILE 9 HD11 ILE 9 11.730 1.052 -11.316 66 HD12 ILE 9 HD12 ILE 9 10.447 1.374 -12.483 67 HD13 ILE 9 HD13 ILE 9 11.033 -0.273 -12.248 68 H LEU 10 HN LEU 10 7.558 2.003 -7.396 69 HA LEU 10 HA LEU 10 7.645 4.613 -6.285 70 HB2 LEU 10 HB2 LEU 10 7.332 3.033 -4.104 71 HB3 LEU 10 HB1 LEU 10 6.025 3.522 -5.163 72 HG LEU 10 HG LEU 10 6.117 1.435 -6.344 73 HD11 LEU 10 HD11 LEU 10 7.739 -0.158 -6.176 74 HD12 LEU 10 HD12 LEU 10 8.183 0.303 -4.534 75 HD13 LEU 10 HD13 LEU 10 8.701 1.293 -5.900 76 HD21 LEU 10 HD21 LEU 10 6.297 0.403 -3.590 77 HD22 LEU 10 HD22 LEU 10 5.007 0.245 -4.782 78 HD23 LEU 10 HD23 LEU 10 5.171 1.734 -3.852 79 H GLU 11 HN GLU 11 10.019 4.654 -6.986 80 HA GLU 11 HA GLU 11 12.295 4.222 -6.547 81 HB2 GLU 11 HB2 GLU 11 11.617 6.512 -5.886 82 HB3 GLU 11 HB1 GLU 11 11.378 5.937 -4.242 83 HG2 GLU 11 HG2 GLU 11 13.808 5.177 -4.341 84 HG3 GLU 11 HG1 GLU 11 13.933 6.180 -5.785 85 H GLN 12 HN GLN 12 11.980 1.897 -5.996 86 HA GLN 12 HA GLN 12 12.328 0.085 -4.639 87 HB2 GLN 12 HB2 GLN 12 14.453 1.807 -4.390 88 HB3 GLN 12 HB1 GLN 12 14.021 1.509 -2.714 89 HG2 GLN 12 HG2 GLN 12 14.532 -0.726 -2.831 90 HG3 GLN 12 HG1 GLN 12 14.300 -0.797 -4.577 91 HE21 GLN 12 HE21 GLN 12 16.472 0.041 -2.001 92 HE22 GLN 12 HE22 GLN 12 17.895 0.184 -2.971 93 H GLY 13 HN GLY 13 9.945 0.915 -3.984 94 HA2 GLY 13 HA2 GLY 13 8.382 0.694 -2.308 95 HA3 GLY 13 HA1 GLY 13 9.685 0.200 -1.241 96 H GLU 14 HN GLU 14 8.776 3.206 -2.926 97 HA GLU 14 HA GLU 14 9.430 4.707 -0.509 98 HB2 GLU 14 HB2 GLU 14 9.561 5.233 -3.334 99 HB3 GLU 14 HB1 GLU 14 8.603 6.476 -2.540 100 HG2 GLU 14 HG2 GLU 14 11.391 5.647 -1.772 101 HG3 GLU 14 HG1 GLU 14 10.954 7.092 -2.680 102 H ASP 15 HN ASP 15 6.719 3.530 -2.231 103 HA ASP 15 HA ASP 15 4.540 3.437 -1.454 104 HB2 ASP 15 HB2 ASP 15 5.005 5.971 0.121 105 HB3 ASP 15 HB1 ASP 15 3.678 4.828 0.284 106 H CYS 16 HN CYS 16 5.918 5.045 -3.610 107 HA CYS 16 HA CYS 16 3.567 6.072 -4.796 108 HB2 CYS 16 HB2 CYS 16 4.077 7.952 -3.255 109 HB3 CYS 16 HB1 CYS 16 5.630 8.135 -4.062 110 H ASP 17 HN ASP 17 4.013 5.007 -6.628 111 HA ASP 17 HA ASP 17 6.651 5.379 -7.838 112 HB2 ASP 17 HB2 ASP 17 6.283 3.350 -9.025 113 HB3 ASP 17 HB1 ASP 17 5.733 3.063 -7.374 114 H CYS 18 HN CYS 18 6.867 6.758 -9.425 115 HA CYS 18 HA CYS 18 4.888 7.010 -11.509 116 HB2 CYS 18 HB2 CYS 18 5.382 9.189 -9.504 117 HB3 CYS 18 HB1 CYS 18 4.937 9.595 -11.157 118 H GLY 19 HN GLY 19 5.946 7.276 -13.384 119 HA2 GLY 19 HA2 GLY 19 8.704 7.353 -13.619 120 HA3 GLY 19 HA1 GLY 19 7.589 7.808 -14.899 121 H SER 20 HN SER 20 6.433 10.072 -13.925 122 HA SER 20 HA SER 20 8.628 11.884 -13.231 123 HB2 SER 20 HB2 SER 20 7.925 11.674 -15.820 124 HB3 SER 20 HB1 SER 20 6.736 12.868 -15.299 125 HG SER 20 HG SER 20 9.375 13.179 -15.762 126 HA PRO 21 HA PRO 21 5.726 13.645 -10.411 127 HB2 PRO 21 HB2 PRO 21 6.457 16.310 -10.615 128 HB3 PRO 21 HB1 PRO 21 7.257 15.116 -9.589 129 HG2 PRO 21 HG2 PRO 21 8.039 16.127 -12.286 130 HG3 PRO 21 HG1 PRO 21 9.062 15.732 -10.893 131 HD2 PRO 21 HD2 PRO 21 8.845 14.077 -12.996 132 HD3 PRO 21 HD1 PRO 21 9.008 13.460 -11.339 133 H ALA 22 HN ALA 22 6.108 15.038 -13.612 134 HA ALA 22 HA ALA 22 3.537 16.379 -13.504 135 HB1 ALA 22 HB1 ALA 22 5.125 17.601 -14.711 136 HB2 ALA 22 HB2 ALA 22 4.116 16.862 -15.954 137 HB3 ALA 22 HB3 ALA 22 5.696 16.175 -15.578 138 H ASN 23 HN ASN 23 4.914 13.417 -14.685 139 HA ASN 23 HA ASN 23 2.378 12.728 -16.007 140 HB2 ASN 23 HB2 ASN 23 5.189 11.699 -16.362 141 HB3 ASN 23 HB1 ASN 23 3.794 10.813 -16.972 142 HD21 ASN 23 HD21 ASN 23 4.510 11.063 -19.094 143 HD22 ASN 23 HD22 ASN 23 4.373 12.569 -19.930 144 H CYS 24 HN CYS 24 3.110 12.658 -13.089 145 HA CYS 24 HA CYS 24 3.373 9.982 -12.262 146 HB2 CYS 24 HB2 CYS 24 3.938 11.826 -10.779 147 HB3 CYS 24 HB1 CYS 24 2.270 12.388 -10.801 148 H GLN 25 HN GLN 25 1.904 8.735 -13.338 149 HA GLN 25 HA GLN 25 -0.879 9.280 -13.457 150 HB2 GLN 25 HB2 GLN 25 -1.097 6.987 -14.286 151 HB3 GLN 25 HB1 GLN 25 0.224 7.828 -15.085 152 HG2 GLN 25 HG2 GLN 25 1.646 6.697 -13.180 153 HG3 GLN 25 HG1 GLN 25 0.297 5.562 -13.169 154 HE21 GLN 25 HE21 GLN 25 2.556 7.161 -15.378 155 HE22 GLN 25 HE22 GLN 25 2.719 5.823 -16.458 156 H ASP 26 HN ASP 26 -0.440 9.731 -10.887 157 HA ASP 26 HA ASP 26 -1.983 7.655 -9.575 158 HB2 ASP 26 HB2 ASP 26 0.761 8.510 -8.648 159 HB3 ASP 26 HB1 ASP 26 -0.408 7.746 -7.575 160 H ARG 27 HN ARG 27 -3.672 9.059 -9.332 161 HA ARG 27 HA ARG 27 -3.422 11.750 -8.510 162 HB2 ARG 27 HB2 ARG 27 -5.855 11.673 -8.198 163 HB3 ARG 27 HB1 ARG 27 -5.374 10.955 -9.729 164 HG2 ARG 27 HG2 ARG 27 -5.548 8.715 -8.656 165 HG3 ARG 27 HG1 ARG 27 -6.206 9.511 -7.225 166 HD2 ARG 27 HD2 ARG 27 -8.049 10.397 -8.559 167 HD3 ARG 27 HD1 ARG 27 -7.385 9.627 -9.999 168 HE ARG 27 HE ARG 27 -7.844 7.742 -7.916 169 HH11 ARG 27 HH11 ARG 27 -9.447 9.582 -10.410 170 HH12 ARG 27 HH12 ARG 27 -10.747 8.452 -10.583 171 HH21 ARG 27 HH21 ARG 27 -9.553 6.253 -8.142 172 HH22 ARG 27 HH22 ARG 27 -10.808 6.562 -9.296 173 H CYS 28 HN CYS 28 -3.159 8.866 -6.734 174 HA CYS 28 HA CYS 28 -3.731 10.309 -4.232 175 HB2 CYS 28 HB2 CYS 28 -4.441 7.650 -5.145 176 HB3 CYS 28 HB1 CYS 28 -3.570 7.587 -3.618 177 H CYS 29 HN CYS 29 -1.235 10.408 -5.753 178 HA CYS 29 HA CYS 29 0.579 10.196 -3.634 179 HB2 CYS 29 HB2 CYS 29 1.424 8.126 -3.728 180 HB3 CYS 29 HB1 CYS 29 0.097 7.709 -4.799 181 H ASN 30 HN ASN 30 2.391 11.364 -4.044 182 HA ASN 30 HA ASN 30 2.720 12.309 -6.818 183 HB2 ASN 30 HB2 ASN 30 3.603 14.389 -5.915 184 HB3 ASN 30 HB1 ASN 30 2.014 14.060 -5.230 185 HD21 ASN 30 HD21 ASN 30 4.810 15.332 -4.460 186 HD22 ASN 30 HD22 ASN 30 4.940 14.888 -2.797 187 H ALA 31 HN ALA 31 4.598 12.002 -7.832 188 HA ALA 31 HA ALA 31 6.586 10.313 -6.708 189 HB1 ALA 31 HB1 ALA 31 7.473 11.760 -9.057 190 HB2 ALA 31 HB2 ALA 31 5.846 11.110 -9.259 191 HB3 ALA 31 HB3 ALA 31 7.178 10.035 -8.835 192 H ALA 32 HN ALA 32 6.326 13.787 -7.180 193 HA ALA 32 HA ALA 32 8.913 14.647 -6.897 194 HB1 ALA 32 HB1 ALA 32 6.734 15.988 -7.209 195 HB2 ALA 32 HB2 ALA 32 8.070 16.735 -6.332 196 HB3 ALA 32 HB3 ALA 32 6.705 16.055 -5.447 197 H THR 33 HN THR 33 6.903 13.177 -4.490 198 HA THR 33 HA THR 33 8.979 13.678 -2.457 199 HB THR 33 HB THR 33 6.662 14.638 -2.023 200 HG1 THR 33 HG1 THR 33 7.087 14.401 0.022 201 HG21 THR 33 HG21 THR 33 5.875 11.838 -1.308 202 HG22 THR 33 HG22 THR 33 5.487 12.530 -2.881 203 HG23 THR 33 HG23 THR 33 4.869 13.284 -1.411 204 H CYS 34 HN CYS 34 7.128 11.369 -4.213 205 HA CYS 34 HA CYS 34 7.314 9.127 -4.426 206 HB2 CYS 34 HB2 CYS 34 9.826 9.881 -3.294 207 HB3 CYS 34 HB1 CYS 34 9.293 8.398 -2.510 208 H LYS 35 HN LYS 35 5.438 10.235 -2.810 209 HA LYS 35 HA LYS 35 4.853 8.033 -1.043 210 HB2 LYS 35 HB2 LYS 35 5.004 10.810 0.140 211 HB3 LYS 35 HB1 LYS 35 4.573 9.328 0.979 212 HG2 LYS 35 HG2 LYS 35 6.865 8.477 0.530 213 HG3 LYS 35 HG1 LYS 35 7.268 10.059 -0.142 214 HD2 LYS 35 HD2 LYS 35 7.996 10.284 2.035 215 HD3 LYS 35 HD1 LYS 35 6.362 10.941 2.142 216 HE2 LYS 35 HE2 LYS 35 5.710 8.488 2.720 217 HE3 LYS 35 HE1 LYS 35 7.421 8.317 3.109 218 HZ1 LYS 35 HZ1 LYS 35 7.253 10.003 4.747 219 HZ2 LYS 35 HZ2 LYS 35 5.964 8.942 5.014 220 HZ3 LYS 35 HZ3 LYS 35 5.690 10.432 4.262 221 H LEU 36 HN LEU 36 2.673 8.385 0.021 222 HA LEU 36 HA LEU 36 0.726 8.849 -1.900 223 HB2 LEU 36 HB2 LEU 36 0.388 9.008 1.095 224 HB3 LEU 36 HB1 LEU 36 -0.884 8.725 -0.078 225 HG LEU 36 HG LEU 36 1.371 6.797 -0.079 226 HD11 LEU 36 HD11 LEU 36 0.032 5.548 1.754 227 HD12 LEU 36 HD12 LEU 36 -0.529 7.160 2.199 228 HD13 LEU 36 HD13 LEU 36 1.195 6.787 2.225 229 HD21 LEU 36 HD21 LEU 36 -1.480 6.022 -0.010 230 HD22 LEU 36 HD22 LEU 36 -0.155 5.401 -0.995 231 HD23 LEU 36 HD23 LEU 36 -0.931 6.927 -1.420 232 H THR 37 HN THR 37 -0.764 10.516 -2.242 233 HA THR 37 HA THR 37 0.256 13.166 -1.613 234 HB THR 37 HB THR 37 -1.783 13.822 -3.088 235 HG1 THR 37 HG1 THR 37 -2.980 12.142 -3.474 236 HG21 THR 37 HG21 THR 37 -0.365 12.499 -5.072 237 HG22 THR 37 HG22 THR 37 0.821 12.837 -3.810 238 HG23 THR 37 HG23 THR 37 -0.124 14.153 -4.509 239 HA PRO 38 HA PRO 38 -2.429 14.447 1.632 240 HB2 PRO 38 HB2 PRO 38 -3.920 16.463 0.326 241 HB3 PRO 38 HB1 PRO 38 -2.447 16.682 1.272 242 HG2 PRO 38 HG2 PRO 38 -2.795 16.478 -1.674 243 HG3 PRO 38 HG1 PRO 38 -1.610 17.410 -0.740 244 HD2 PRO 38 HD2 PRO 38 -0.913 15.168 -2.025 245 HD3 PRO 38 HD1 PRO 38 -0.220 15.571 -0.439 246 H GLY 39 HN GLY 39 -3.979 13.062 2.209 247 HA2 GLY 39 HA2 GLY 39 -6.354 12.637 2.295 248 HA3 GLY 39 HA1 GLY 39 -6.427 12.965 0.569 249 H SER 40 HN SER 40 -3.897 11.357 0.216 250 HA SER 40 HA SER 40 -5.219 8.804 -0.123 251 HB2 SER 40 HB2 SER 40 -3.796 9.737 -1.919 252 HB3 SER 40 HB1 SER 40 -2.402 9.641 -0.846 253 HG SER 40 HG SER 40 -2.881 7.335 -0.722 254 H GLN 41 HN GLN 41 -5.103 7.180 1.286 255 HA GLN 41 HA GLN 41 -2.926 7.227 3.267 256 HB2 GLN 41 HB2 GLN 41 -5.810 6.798 3.506 257 HB3 GLN 41 HB1 GLN 41 -4.850 5.584 4.341 258 HG2 GLN 41 HG2 GLN 41 -4.158 7.023 5.915 259 HG3 GLN 41 HG1 GLN 41 -3.997 8.358 4.774 260 HE21 GLN 41 HE21 GLN 41 -6.510 6.363 6.289 261 HE22 GLN 41 HE22 GLN 41 -7.622 7.659 6.551 262 H CYS 42 HN CYS 42 -3.467 5.729 0.492 263 HA CYS 42 HA CYS 42 -2.031 3.375 1.331 264 HB2 CYS 42 HB2 CYS 42 -3.629 1.764 0.374 265 HB3 CYS 42 HB1 CYS 42 -4.282 2.620 1.765 266 H ASN 43 HN ASN 43 -3.929 4.506 -1.466 267 HA ASN 43 HA ASN 43 -3.501 4.405 -3.705 268 HB2 ASN 43 HB2 ASN 43 -2.188 6.385 -2.845 269 HB3 ASN 43 HB1 ASN 43 -0.758 5.356 -2.889 270 HD21 ASN 43 HD21 ASN 43 0.260 5.021 -4.776 271 HD22 ASN 43 HD22 ASN 43 -0.250 5.672 -6.293 272 H TYR 44 HN TYR 44 -2.695 1.971 -2.085 273 HA TYR 44 HA TYR 44 -1.978 0.198 -3.977 274 HB2 TYR 44 HB2 TYR 44 0.396 -0.093 -3.976 275 HB3 TYR 44 HB1 TYR 44 0.113 1.613 -4.282 276 HD1 TYR 44 HD1 TYR 44 1.060 -0.820 -1.657 277 HD2 TYR 44 HD2 TYR 44 1.012 3.265 -2.844 278 HE1 TYR 44 HE1 TYR 44 2.515 -0.261 0.241 279 HE2 TYR 44 HE2 TYR 44 2.471 3.837 -0.949 280 HH TYR 44 HH TYR 44 3.042 1.756 1.627 281 H GLY 45 HN GLY 45 -0.934 -1.846 -3.046 282 HA2 GLY 45 HA2 GLY 45 -0.551 -3.319 -1.284 283 HA3 GLY 45 HA1 GLY 45 -0.895 -2.018 -0.157 284 H GLU 46 HN GLU 46 -1.819 -4.535 0.332 285 HA GLU 46 HA GLU 46 -4.405 -5.086 -0.641 286 HB2 GLU 46 HB2 GLU 46 -2.704 -6.028 1.589 287 HB3 GLU 46 HB1 GLU 46 -4.435 -6.270 1.790 288 HG2 GLU 46 HG2 GLU 46 -3.838 -8.229 0.786 289 HG3 GLU 46 HG1 GLU 46 -4.283 -7.261 -0.619 290 H CYS 47 HN CYS 47 -3.282 -3.361 2.249 291 HA CYS 47 HA CYS 47 -5.787 -2.958 3.425 292 HB2 CYS 47 HB2 CYS 47 -3.186 -2.295 4.051 293 HB3 CYS 47 HB1 CYS 47 -3.950 -0.726 3.821 294 H CYS 48 HN CYS 48 -4.532 -1.546 0.563 295 HA CYS 48 HA CYS 48 -5.807 0.954 0.767 296 HB2 CYS 48 HB2 CYS 48 -3.977 0.256 -0.882 297 HB3 CYS 48 HB1 CYS 48 -5.279 -0.425 -1.852 298 H ASP 49 HN ASP 49 -7.743 1.662 0.307 299 HA ASP 49 HA ASP 49 -9.650 0.292 -1.307 300 HB2 ASP 49 HB2 ASP 49 -9.575 -0.759 1.176 301 HB3 ASP 49 HB1 ASP 49 -10.670 0.589 1.469 302 H GLN 50 HN GLN 50 -10.324 2.054 -2.375 303 HA GLN 50 HA GLN 50 -11.205 4.112 -2.804 304 HB2 GLN 50 HB2 GLN 50 -12.692 3.202 -0.754 305 HB3 GLN 50 HB1 GLN 50 -11.971 4.604 0.023 306 HG2 GLN 50 HG2 GLN 50 -13.202 6.052 -1.158 307 HG3 GLN 50 HG1 GLN 50 -13.056 5.119 -2.647 308 HE21 GLN 50 HE21 GLN 50 -14.233 2.872 -2.362 309 HE22 GLN 50 HE22 GLN 50 -15.864 3.003 -1.807 310 H CYS 51 HN CYS 51 -8.470 3.776 -1.993 311 HA CYS 51 HA CYS 51 -6.630 5.040 -1.616 312 HB2 CYS 51 HB2 CYS 51 -8.717 7.099 -2.051 313 HB3 CYS 51 HB1 CYS 51 -7.233 7.633 -1.269 314 H ARG 52 HN ARG 52 -8.090 3.815 0.559 315 HA ARG 52 HA ARG 52 -6.900 5.337 2.745 316 HB2 ARG 52 HB2 ARG 52 -9.719 4.296 2.989 317 HB3 ARG 52 HB1 ARG 52 -8.849 5.329 4.115 318 HG2 ARG 52 HG2 ARG 52 -9.613 6.161 1.327 319 HG3 ARG 52 HG1 ARG 52 -10.588 6.489 2.761 320 HD2 ARG 52 HD2 ARG 52 -7.723 7.269 2.820 321 HD3 ARG 52 HD1 ARG 52 -8.815 8.230 1.824 322 HE ARG 52 HE ARG 52 -8.614 8.288 4.645 323 HH11 ARG 52 HH11 ARG 52 -10.963 8.446 2.068 324 HH12 ARG 52 HH12 ARG 52 -12.091 9.385 2.986 325 HH21 ARG 52 HH21 ARG 52 -10.097 9.524 5.853 326 HH22 ARG 52 HH22 ARG 52 -11.600 9.998 5.134 327 H PHE 53 HN PHE 53 -6.121 4.066 4.402 328 HA PHE 53 HA PHE 53 -5.646 1.340 3.845 329 HB2 PHE 53 HB2 PHE 53 -5.191 3.060 6.266 330 HB3 PHE 53 HB1 PHE 53 -4.905 1.324 6.339 331 HD1 PHE 53 HD2 PHE 53 -3.907 1.170 3.392 332 HD2 PHE 53 HD1 PHE 53 -2.926 3.653 6.705 333 HE1 PHE 53 HE2 PHE 53 -1.661 1.500 2.469 334 HE2 PHE 53 HE1 PHE 53 -0.670 3.990 5.786 335 HZ PHE 53 HZ PHE 53 -0.032 2.912 3.663 336 H LYS 54 HN LYS 54 -6.632 -0.476 4.430 337 HA LYS 54 HA LYS 54 -9.302 -0.466 5.298 338 HB2 LYS 54 HB2 LYS 54 -7.249 -2.489 4.716 339 HB3 LYS 54 HB1 LYS 54 -8.435 -2.997 5.909 340 HG2 LYS 54 HG2 LYS 54 -10.146 -3.017 4.411 341 HG3 LYS 54 HG1 LYS 54 -9.440 -1.738 3.420 342 HD2 LYS 54 HD2 LYS 54 -7.603 -3.731 3.137 343 HD3 LYS 54 HD1 LYS 54 -9.104 -4.649 3.269 344 HE2 LYS 54 HE2 LYS 54 -9.861 -2.701 1.556 345 HE3 LYS 54 HE1 LYS 54 -8.156 -2.854 1.135 346 HZ1 LYS 54 HZ1 LYS 54 -8.610 -5.321 0.983 347 HZ2 LYS 54 HZ2 LYS 54 -9.285 -4.360 -0.234 348 HZ3 LYS 54 HZ3 LYS 54 -10.257 -4.934 1.025 349 H LYS 55 HN LYS 55 -9.730 0.489 7.192 350 HA LYS 55 HA LYS 55 -8.493 0.964 9.434 351 HB2 LYS 55 HB2 LYS 55 -10.895 1.356 9.107 352 HB3 LYS 55 HB1 LYS 55 -11.212 -0.348 9.405 353 HG2 LYS 55 HG2 LYS 55 -10.488 -0.153 11.676 354 HG3 LYS 55 HG1 LYS 55 -9.931 1.499 11.405 355 HD2 LYS 55 HD2 LYS 55 -12.197 2.245 11.028 356 HD3 LYS 55 HD1 LYS 55 -12.795 0.588 11.142 357 HE2 LYS 55 HE2 LYS 55 -11.226 1.591 13.438 358 HE3 LYS 55 HE1 LYS 55 -12.817 2.312 13.199 359 HZ1 LYS 55 HZ1 LYS 55 -12.643 0.236 14.649 360 HZ2 LYS 55 HZ2 LYS 55 -12.458 -0.619 13.201 361 HZ3 LYS 55 HZ3 LYS 55 -13.867 0.275 13.480 362 H ALA 56 HN ALA 56 -7.603 0.057 11.186 363 HA ALA 56 HA ALA 56 -6.575 -2.484 11.177 364 HB1 ALA 56 HB1 ALA 56 -6.874 -0.387 13.154 365 HB2 ALA 56 HB2 ALA 56 -5.559 -1.538 12.922 366 HB3 ALA 56 HB3 ALA 56 -6.969 -1.993 13.878 367 H GLY 57 HN GLY 57 -7.435 -4.444 11.353 368 HA2 GLY 57 HA2 GLY 57 -8.833 -5.976 12.647 369 HA3 GLY 57 HA1 GLY 57 -10.031 -4.691 12.748 370 H THR 58 HN THR 58 -8.648 -4.615 9.728 371 HA THR 58 HA THR 58 -10.996 -5.864 8.549 372 HB THR 58 HB THR 58 -8.694 -4.414 7.226 373 HG1 THR 58 HG1 THR 58 -10.209 -2.673 7.159 374 HG21 THR 58 HG21 THR 58 -9.620 -5.012 5.312 375 HG22 THR 58 HG22 THR 58 -11.079 -4.134 5.776 376 HG23 THR 58 HG23 THR 58 -10.922 -5.851 6.158 377 H VAL 59 HN VAL 59 -10.991 -7.881 7.740 378 HA VAL 59 HA VAL 59 -8.516 -9.377 7.654 379 HB VAL 59 HB VAL 59 -10.590 -10.447 8.476 380 HG11 VAL 59 HG11 VAL 59 -12.408 -10.986 7.053 381 HG12 VAL 59 HG12 VAL 59 -11.538 -10.436 5.620 382 HG13 VAL 59 HG13 VAL 59 -12.083 -9.267 6.824 383 HG21 VAL 59 HG21 VAL 59 -10.374 -12.540 7.154 384 HG22 VAL 59 HG22 VAL 59 -8.827 -11.870 7.671 385 HG23 VAL 59 HG23 VAL 59 -9.364 -11.664 6.005 386 H CYS 60 HN CYS 60 -7.229 -9.420 5.916 387 HA CYS 60 HA CYS 60 -8.499 -9.102 3.273 388 HB2 CYS 60 HB2 CYS 60 -5.937 -8.068 2.959 389 HB3 CYS 60 HB1 CYS 60 -7.441 -7.159 3.025 390 H ARG 61 HN ARG 61 -6.732 -11.172 5.148 391 HA ARG 61 HA ARG 61 -5.957 -12.706 2.819 392 HB2 ARG 61 HB2 ARG 61 -4.037 -11.130 4.245 393 HB3 ARG 61 HB1 ARG 61 -3.671 -12.833 4.490 394 HG2 ARG 61 HG2 ARG 61 -4.199 -12.662 1.784 395 HG3 ARG 61 HG1 ARG 61 -3.324 -11.172 2.140 396 HD2 ARG 61 HD2 ARG 61 -2.432 -13.995 2.704 397 HD3 ARG 61 HD1 ARG 61 -1.739 -12.871 1.536 398 HE ARG 61 HE ARG 61 -1.158 -13.016 4.317 399 HH11 ARG 61 HH11 ARG 61 -1.429 -10.790 1.644 400 HH12 ARG 61 HH12 ARG 61 -0.333 -9.639 2.331 401 HH21 ARG 61 HH21 ARG 61 0.279 -11.506 5.223 402 HH22 ARG 61 HH22 ARG 61 0.639 -10.046 4.363 403 H ILE 62 HN ILE 62 -4.625 -14.744 3.766 404 HA ILE 62 HA ILE 62 -5.541 -15.663 6.321 405 HB ILE 62 HB ILE 62 -6.439 -17.701 4.512 406 HG12 ILE 62 HG12 ILE 62 -8.357 -16.624 3.493 407 HG13 ILE 62 HG11 ILE 62 -7.922 -15.080 4.216 408 HG21 ILE 62 HG21 ILE 62 -8.335 -17.736 5.903 409 HG22 ILE 62 HG22 ILE 62 -8.113 -16.053 6.382 410 HG23 ILE 62 HG23 ILE 62 -6.983 -17.285 6.943 411 HD11 ILE 62 HD11 ILE 62 -5.742 -16.123 2.661 412 HD12 ILE 62 HD12 ILE 62 -6.597 -14.588 2.516 413 HD13 ILE 62 HD13 ILE 62 -7.218 -16.024 1.697 414 H ALA 63 HN ALA 63 -4.013 -16.924 7.103 415 HA ALA 63 HA ALA 63 -1.685 -17.586 5.791 416 HB1 ALA 63 HB1 ALA 63 -1.892 -19.553 7.709 417 HB2 ALA 63 HB2 ALA 63 -2.910 -18.254 8.330 418 HB3 ALA 63 HB3 ALA 63 -1.220 -17.939 7.937 419 H ARG 64 HN ARG 64 -3.912 -20.134 6.862 420 HA ARG 64 HA ARG 64 -4.175 -21.297 4.278 421 HB2 ARG 64 HB2 ARG 64 -1.880 -22.074 5.901 422 HB3 ARG 64 HB1 ARG 64 -2.886 -23.448 5.471 423 HG2 ARG 64 HG2 ARG 64 -1.569 -21.502 3.595 424 HG3 ARG 64 HG1 ARG 64 -1.181 -23.208 3.822 425 HD2 ARG 64 HD2 ARG 64 -3.715 -23.519 3.173 426 HD3 ARG 64 HD1 ARG 64 -3.480 -21.947 2.409 427 HE ARG 64 HE ARG 64 -2.525 -24.455 1.474 428 HH11 ARG 64 HH11 ARG 64 -1.712 -21.065 1.633 429 HH12 ARG 64 HH12 ARG 64 -0.720 -21.108 0.215 430 HH21 ARG 64 HH21 ARG 64 -1.220 -24.513 -0.392 431 HH22 ARG 64 HH22 ARG 64 -0.441 -23.065 -0.936 432 H GLY 65 HN GLY 65 -6.163 -20.668 5.873 433 HA2 GLY 65 HA2 GLY 65 -7.864 -22.701 6.078 434 HA3 GLY 65 HA1 GLY 65 -6.902 -22.950 7.528 435 H ASP 66 HN ASP 66 -7.402 -21.842 9.321 436 HA ASP 66 HA ASP 66 -8.536 -19.277 9.378 437 HB2 ASP 66 HB2 ASP 66 -10.426 -21.530 9.196 438 HB3 ASP 66 HB1 ASP 66 -10.761 -20.383 10.489 439 H TRP 67 HN TRP 67 -6.823 -19.209 10.891 440 HA TRP 67 HA TRP 67 -7.493 -20.369 13.517 441 HB2 TRP 67 HB2 TRP 67 -4.743 -19.662 13.451 442 HB3 TRP 67 HB1 TRP 67 -5.440 -21.275 13.559 443 HD1 TRP 67 HD1 TRP 67 -4.315 -18.741 10.864 444 HE1 TRP 67 HE1 TRP 67 -3.586 -20.070 8.786 445 HE3 TRP 67 HE3 TRP 67 -5.542 -23.430 12.439 446 HZ2 TRP 67 HZ2 TRP 67 -3.544 -22.751 7.927 447 HZ3 TRP 67 HZ3 TRP 67 -5.129 -25.335 10.931 448 HH2 TRP 67 HH2 TRP 67 -4.149 -25.000 8.718 449 H ASN 68 HN ASN 68 -5.319 -17.888 12.264 450 HA ASN 68 HA ASN 68 -6.313 -16.032 14.315 451 HB2 ASN 68 HB2 ASN 68 -3.808 -15.618 12.699 452 HB3 ASN 68 HB1 ASN 68 -4.231 -14.935 14.265 453 HD21 ASN 68 HD21 ASN 68 -3.365 -17.918 12.613 454 HD22 ASN 68 HD22 ASN 68 -2.665 -18.693 13.989 455 H ASP 69 HN ASP 69 -5.998 -16.570 10.907 456 HA ASP 69 HA ASP 69 -6.822 -15.479 9.090 457 HB2 ASP 69 HB2 ASP 69 -8.384 -13.940 11.170 458 HB3 ASP 69 HB1 ASP 69 -8.681 -13.881 9.436 459 H ASP 70 HN ASP 70 -6.060 -13.875 7.801 460 HA ASP 70 HA ASP 70 -4.152 -12.066 8.915 461 HB2 ASP 70 HB2 ASP 70 -4.080 -13.171 6.593 462 HB3 ASP 70 HB1 ASP 70 -5.213 -11.911 6.116 463 H TYR 71 HN TYR 71 -4.440 -10.085 9.623 464 HA TYR 71 HA TYR 71 -6.816 -8.600 8.738 465 HB2 TYR 71 HB2 TYR 71 -5.955 -9.300 11.496 466 HB3 TYR 71 HB1 TYR 71 -6.683 -7.716 11.232 467 HD1 TYR 71 HD2 TYR 71 -7.262 -11.346 10.704 468 HD2 TYR 71 HD1 TYR 71 -8.960 -7.489 11.090 469 HE1 TYR 71 HE2 TYR 71 -9.498 -12.352 10.741 470 HE2 TYR 71 HE1 TYR 71 -11.213 -8.454 11.120 471 HH TYR 71 HH TYR 71 -12.067 -11.157 10.057 472 H CYS 72 HN CYS 72 -6.514 -6.472 8.321 473 HA CYS 72 HA CYS 72 -3.825 -5.519 8.269 474 HB2 CYS 72 HB2 CYS 72 -6.010 -4.906 6.784 475 HB3 CYS 72 HB1 CYS 72 -5.936 -3.519 7.871 476 H THR 73 HN THR 73 -3.791 -2.950 8.976 477 HA THR 73 HA THR 73 -4.677 -2.900 11.776 478 HB THR 73 HB THR 73 -2.574 -2.289 12.580 479 HG1 THR 73 HG1 THR 73 -1.932 -1.634 9.904 480 HG21 THR 73 HG21 THR 73 -1.616 -3.986 10.309 481 HG22 THR 73 HG22 THR 73 -2.649 -4.654 11.574 482 HG23 THR 73 HG23 THR 73 -1.081 -3.962 11.990 483 H GLY 74 HN GLY 74 -5.165 -1.494 8.956 484 HA2 GLY 74 HA2 GLY 74 -5.841 0.580 8.246 485 HA3 GLY 74 HA1 GLY 74 -6.306 0.839 9.919 486 H LYS 75 HN LYS 75 -2.977 0.219 9.236 487 HA LYS 75 HA LYS 75 -2.392 3.091 9.539 488 HB2 LYS 75 HB2 LYS 75 -0.904 0.749 10.737 489 HB3 LYS 75 HB1 LYS 75 -0.353 2.418 10.795 490 HG2 LYS 75 HG2 LYS 75 -2.849 2.670 11.811 491 HG3 LYS 75 HG1 LYS 75 -2.416 1.053 12.368 492 HD2 LYS 75 HD2 LYS 75 -0.790 3.560 12.789 493 HD3 LYS 75 HD1 LYS 75 -1.794 2.766 14.004 494 HE2 LYS 75 HE2 LYS 75 0.146 1.764 14.567 495 HE3 LYS 75 HE1 LYS 75 -0.261 0.693 13.227 496 HZ1 LYS 75 HZ1 LYS 75 2.069 1.780 13.344 497 HZ2 LYS 75 HZ2 LYS 75 1.287 3.140 12.710 498 HZ3 LYS 75 HZ3 LYS 75 1.273 1.681 11.854 499 H SER 76 HN SER 76 -1.611 0.073 7.988 500 HA SER 76 HA SER 76 0.068 1.537 6.084 501 HB2 SER 76 HB2 SER 76 1.247 -0.031 7.933 502 HB3 SER 76 HB1 SER 76 0.904 -1.241 6.697 503 HG SER 76 HG SER 76 2.654 0.912 6.648 504 H SER 77 HN SER 77 0.555 0.008 4.146 505 HA SER 77 HA SER 77 -2.021 -0.932 3.199 506 HB2 SER 77 HB2 SER 77 0.187 -1.312 1.350 507 HB3 SER 77 HB1 SER 77 -1.268 -0.334 1.174 508 HG SER 77 HG SER 77 1.271 0.401 1.931 509 H ASP 78 HN ASP 78 0.076 -2.364 5.105 510 HA ASP 78 HA ASP 78 0.180 -4.903 3.644 511 HB2 ASP 78 HB2 ASP 78 1.609 -4.063 6.176 512 HB3 ASP 78 HB1 ASP 78 1.805 -5.611 5.360 513 H CYS 79 HN CYS 79 -0.714 -6.752 4.404 514 HA CYS 79 HA CYS 79 -2.544 -6.498 6.703 515 HB2 CYS 79 HB2 CYS 79 -2.808 -7.983 4.090 516 HB3 CYS 79 HB1 CYS 79 -3.818 -8.359 5.483 517 HA PRO 80 HA PRO 80 0.419 -9.713 8.076 518 HB2 PRO 80 HB2 PRO 80 -0.170 -9.472 10.716 519 HB3 PRO 80 HB1 PRO 80 0.943 -8.385 9.877 520 HG2 PRO 80 HG2 PRO 80 -1.944 -7.978 10.562 521 HG3 PRO 80 HG1 PRO 80 -0.586 -6.848 10.725 522 HD2 PRO 80 HD2 PRO 80 -2.320 -6.718 8.662 523 HD3 PRO 80 HD1 PRO 80 -0.604 -6.303 8.481 524 H TRP 81 HN TRP 81 0.030 -11.835 8.280 525 HA TRP 81 HA TRP 81 -2.447 -13.032 7.995 526 HB2 TRP 81 HB2 TRP 81 -0.593 -14.623 9.644 527 HB3 TRP 81 HB1 TRP 81 -1.357 -15.014 8.111 528 HD1 TRP 81 HD1 TRP 81 1.788 -13.321 9.537 529 HE1 TRP 81 HE1 TRP 81 3.575 -13.277 7.683 530 HE3 TRP 81 HE3 TRP 81 -1.045 -15.036 5.676 531 HZ2 TRP 81 HZ2 TRP 81 3.747 -13.900 4.937 532 HZ3 TRP 81 HZ3 TRP 81 -0.004 -15.293 3.453 533 HH2 TRP 81 HH2 TRP 81 2.348 -14.732 3.094 534 H ASN 82 HN ASN 82 -0.912 -11.858 10.853 535 HA ASN 82 HA ASN 82 -1.881 -11.337 12.896 536 HB2 ASN 82 HB2 ASN 82 -4.152 -11.760 11.714 537 HB3 ASN 82 HB1 ASN 82 -4.054 -13.370 12.428 538 HD21 ASN 82 HD21 ASN 82 -5.681 -10.766 12.838 539 HD22 ASN 82 HD22 ASN 82 -5.713 -10.602 14.558 540 H HIS 83 HN HIS 83 -0.073 -13.521 11.998 541 HA HIS 83 HA HIS 83 -0.471 -15.468 14.158 542 HB2 HIS 83 HB2 HIS 83 1.262 -15.628 11.679 543 HB3 HIS 83 HB1 HIS 83 1.083 -16.901 12.887 544 HD1 HIS 83 HD1 HIS 83 0.038 -18.573 11.249 545 HD2 HIS 83 HD2 HIS 83 -2.065 -15.007 11.550 546 HE1 HIS 83 HE1 HIS 83 -2.154 -18.973 10.087 547 HE2 HIS 83 HE2 HIS 83 -3.445 -16.838 10.369 Start of MODEL 41 1 H1 SER 1 HT1 SER 1 14.744 2.404 -12.780 2 H2 SER 1 HT2 SER 1 14.054 1.303 -13.899 3 H3 SER 1 HT3 SER 1 15.523 2.103 -14.276 4 HA SER 1 HA SER 1 15.065 -0.294 -12.871 5 HB2 SER 1 HB2 SER 1 17.287 1.191 -14.205 6 HB3 SER 1 HB1 SER 1 17.710 -0.140 -13.127 7 HG SER 1 HG SER 1 16.823 -0.260 -15.633 8 HA PRO 2 HA PRO 2 17.916 1.598 -9.462 9 HB2 PRO 2 HB2 PRO 2 18.302 4.297 -9.507 10 HB3 PRO 2 HB1 PRO 2 19.385 3.145 -10.294 11 HG2 PRO 2 HG2 PRO 2 17.188 4.794 -11.482 12 HG3 PRO 2 HG1 PRO 2 18.813 4.471 -12.116 13 HD2 PRO 2 HD2 PRO 2 16.638 3.162 -13.021 14 HD3 PRO 2 HD1 PRO 2 18.226 2.379 -12.905 15 HA PRO 3 HA PRO 3 14.541 3.010 -6.960 16 HB2 PRO 3 HB2 PRO 3 16.279 3.668 -4.755 17 HB3 PRO 3 HB1 PRO 3 15.304 2.221 -4.982 18 HG2 PRO 3 HG2 PRO 3 18.041 2.245 -5.004 19 HG3 PRO 3 HG1 PRO 3 17.049 1.022 -5.815 20 HD2 PRO 3 HD2 PRO 3 18.412 3.424 -6.963 21 HD3 PRO 3 HD1 PRO 3 18.256 1.785 -7.632 22 H VAL 4 HN VAL 4 14.926 5.021 -8.625 23 HA VAL 4 HA VAL 4 15.251 7.413 -6.936 24 HB VAL 4 HB VAL 4 15.717 7.313 -9.904 25 HG11 VAL 4 HG11 VAL 4 15.156 9.506 -9.059 26 HG12 VAL 4 HG12 VAL 4 16.867 9.453 -9.483 27 HG13 VAL 4 HG13 VAL 4 16.374 9.361 -7.793 28 HG21 VAL 4 HG21 VAL 4 17.837 7.341 -7.770 29 HG22 VAL 4 HG22 VAL 4 18.050 7.153 -9.511 30 HG23 VAL 4 HG23 VAL 4 17.292 5.867 -8.571 31 H CYS 5 HN CYS 5 13.938 9.212 -7.321 32 HA CYS 5 HA CYS 5 11.246 8.572 -8.162 33 HB2 CYS 5 HB2 CYS 5 12.308 10.357 -6.339 34 HB3 CYS 5 HB1 CYS 5 11.888 11.409 -7.684 35 H GLY 6 HN GLY 6 11.505 8.131 -10.307 36 HA2 GLY 6 HA2 GLY 6 10.863 9.690 -12.295 37 HA3 GLY 6 HA1 GLY 6 12.529 10.220 -12.078 38 H ASN 7 HN ASN 7 11.557 6.965 -11.446 39 HA ASN 7 HA ASN 7 12.742 6.014 -13.953 40 HB2 ASN 7 HB2 ASN 7 13.442 5.238 -11.117 41 HB3 ASN 7 HB1 ASN 7 13.659 4.094 -12.443 42 HD21 ASN 7 HD21 ASN 7 14.389 7.459 -11.603 43 HD22 ASN 7 HD22 ASN 7 15.962 7.476 -12.315 44 H LYS 8 HN LYS 8 10.019 6.352 -12.533 45 HA LYS 8 HA LYS 8 8.028 5.305 -12.547 46 HB2 LYS 8 HB2 LYS 8 9.599 3.548 -14.376 47 HB3 LYS 8 HB1 LYS 8 8.050 2.961 -13.787 48 HG2 LYS 8 HG2 LYS 8 7.783 5.671 -14.694 49 HG3 LYS 8 HG1 LYS 8 8.532 4.680 -15.948 50 HD2 LYS 8 HD2 LYS 8 6.542 3.037 -15.089 51 HD3 LYS 8 HD1 LYS 8 5.799 4.623 -14.870 52 HE2 LYS 8 HE2 LYS 8 5.236 4.366 -17.037 53 HE3 LYS 8 HE1 LYS 8 6.880 4.937 -17.317 54 HZ1 LYS 8 HZ1 LYS 8 6.337 2.059 -16.984 55 HZ2 LYS 8 HZ2 LYS 8 7.629 2.813 -17.773 56 HZ3 LYS 8 HZ3 LYS 8 6.094 2.806 -18.483 57 H ILE 9 HN ILE 9 10.382 4.680 -10.686 58 HA ILE 9 HA ILE 9 9.272 2.257 -9.441 59 HB ILE 9 HB ILE 9 12.023 3.489 -9.178 60 HG12 ILE 9 HG12 ILE 9 12.030 0.707 -9.824 61 HG13 ILE 9 HG11 ILE 9 10.936 1.527 -10.933 62 HG21 ILE 9 HG21 ILE 9 12.530 1.573 -7.688 63 HG22 ILE 9 HG22 ILE 9 10.815 1.160 -7.692 64 HG23 ILE 9 HG23 ILE 9 11.350 2.694 -7.006 65 HD11 ILE 9 HD11 ILE 9 12.689 2.145 -12.121 66 HD12 ILE 9 HD12 ILE 9 13.785 1.461 -10.922 67 HD13 ILE 9 HD13 ILE 9 13.232 3.127 -10.761 68 H LEU 10 HN LEU 10 8.940 2.310 -7.160 69 HA LEU 10 HA LEU 10 7.979 4.843 -6.233 70 HB2 LEU 10 HB2 LEU 10 8.258 2.226 -4.761 71 HB3 LEU 10 HB1 LEU 10 7.365 3.622 -4.200 72 HG LEU 10 HG LEU 10 5.961 3.368 -6.322 73 HD11 LEU 10 HD11 LEU 10 7.610 0.890 -6.356 74 HD12 LEU 10 HD12 LEU 10 7.071 1.902 -7.694 75 HD13 LEU 10 HD13 LEU 10 5.933 0.812 -6.899 76 HD21 LEU 10 HD21 LEU 10 4.831 2.899 -4.387 77 HD22 LEU 10 HD22 LEU 10 5.953 1.625 -3.911 78 HD23 LEU 10 HD23 LEU 10 4.774 1.329 -5.189 79 H GLU 11 HN GLU 11 10.537 5.371 -6.685 80 HA GLU 11 HA GLU 11 12.622 5.805 -5.789 81 HB2 GLU 11 HB2 GLU 11 10.472 7.193 -4.442 82 HB3 GLU 11 HB1 GLU 11 11.876 7.013 -3.393 83 HG2 GLU 11 HG2 GLU 11 13.065 7.762 -5.683 84 HG3 GLU 11 HG1 GLU 11 11.527 8.608 -5.813 85 H GLN 12 HN GLN 12 13.039 3.525 -5.438 86 HA GLN 12 HA GLN 12 13.820 1.807 -4.140 87 HB2 GLN 12 HB2 GLN 12 15.294 3.473 -3.163 88 HB3 GLN 12 HB1 GLN 12 14.027 3.992 -2.066 89 HG2 GLN 12 HG2 GLN 12 14.708 1.142 -1.917 90 HG3 GLN 12 HG1 GLN 12 15.992 2.251 -1.435 91 HE21 GLN 12 HE21 GLN 12 15.513 3.796 0.238 92 HE22 GLN 12 HE22 GLN 12 14.343 3.413 1.450 93 H GLY 13 HN GLY 13 12.254 3.554 -1.506 94 HA2 GLY 13 HA2 GLY 13 10.065 1.605 -1.464 95 HA3 GLY 13 HA1 GLY 13 11.067 1.757 -0.025 96 H GLU 14 HN GLU 14 10.049 4.303 -2.224 97 HA GLU 14 HA GLU 14 9.217 5.995 -0.091 98 HB2 GLU 14 HB2 GLU 14 9.468 6.157 -3.025 99 HB3 GLU 14 HB1 GLU 14 8.286 7.236 -2.299 100 HG2 GLU 14 HG2 GLU 14 11.192 7.046 -1.546 101 HG3 GLU 14 HG1 GLU 14 10.468 8.297 -2.556 102 H ASP 15 HN ASP 15 7.492 4.274 -2.649 103 HA ASP 15 HA ASP 15 5.406 3.257 -2.508 104 HB2 ASP 15 HB2 ASP 15 4.678 5.146 -0.263 105 HB3 ASP 15 HB1 ASP 15 3.832 3.685 -0.758 106 H CYS 16 HN CYS 16 6.299 5.272 -4.129 107 HA CYS 16 HA CYS 16 3.887 6.218 -5.249 108 HB2 CYS 16 HB2 CYS 16 4.017 7.873 -3.469 109 HB3 CYS 16 HB1 CYS 16 5.658 8.278 -3.952 110 H ASP 17 HN ASP 17 4.794 5.165 -7.029 111 HA ASP 17 HA ASP 17 7.298 6.238 -8.081 112 HB2 ASP 17 HB2 ASP 17 7.384 4.288 -9.478 113 HB3 ASP 17 HB1 ASP 17 6.977 3.782 -7.841 114 H CYS 18 HN CYS 18 7.424 7.516 -9.767 115 HA CYS 18 HA CYS 18 5.465 7.548 -11.866 116 HB2 CYS 18 HB2 CYS 18 5.630 9.779 -9.862 117 HB3 CYS 18 HB1 CYS 18 5.164 10.114 -11.524 118 H GLY 19 HN GLY 19 6.530 7.944 -13.707 119 HA2 GLY 19 HA2 GLY 19 9.263 8.362 -13.864 120 HA3 GLY 19 HA1 GLY 19 8.138 8.661 -15.180 121 H SER 20 HN SER 20 6.704 10.782 -14.397 122 HA SER 20 HA SER 20 8.613 12.852 -13.581 123 HB2 SER 20 HB2 SER 20 8.477 12.657 -16.119 124 HB3 SER 20 HB1 SER 20 6.817 13.234 -15.976 125 HG SER 20 HG SER 20 9.176 14.584 -15.162 126 HA PRO 21 HA PRO 21 5.395 14.292 -10.904 127 HB2 PRO 21 HB2 PRO 21 6.269 16.978 -11.883 128 HB3 PRO 21 HB1 PRO 21 6.012 16.414 -10.227 129 HG2 PRO 21 HG2 PRO 21 8.474 16.659 -11.211 130 HG3 PRO 21 HG1 PRO 21 8.047 15.307 -10.147 131 HD2 PRO 21 HD2 PRO 21 8.496 15.336 -13.088 132 HD3 PRO 21 HD1 PRO 21 8.800 14.045 -11.909 133 H ALA 22 HN ALA 22 5.723 15.616 -14.158 134 HA ALA 22 HA ALA 22 2.974 16.525 -14.225 135 HB1 ALA 22 HB1 ALA 22 3.470 17.317 -16.446 136 HB2 ALA 22 HB2 ALA 22 4.983 16.412 -16.471 137 HB3 ALA 22 HB3 ALA 22 4.788 17.772 -15.366 138 H ASN 23 HN ASN 23 4.826 13.750 -15.164 139 HA ASN 23 HA ASN 23 2.509 12.646 -16.597 140 HB2 ASN 23 HB2 ASN 23 5.391 11.722 -16.635 141 HB3 ASN 23 HB1 ASN 23 4.076 11.035 -17.584 142 HD21 ASN 23 HD21 ASN 23 6.685 12.767 -17.958 143 HD22 ASN 23 HD22 ASN 23 6.199 13.874 -19.191 144 H CYS 24 HN CYS 24 3.034 12.816 -13.634 145 HA CYS 24 HA CYS 24 3.579 10.207 -12.682 146 HB2 CYS 24 HB2 CYS 24 3.873 12.175 -11.264 147 HB3 CYS 24 HB1 CYS 24 2.147 12.511 -11.348 148 H GLN 25 HN GLN 25 2.254 8.841 -13.904 149 HA GLN 25 HA GLN 25 -0.576 9.104 -13.995 150 HB2 GLN 25 HB2 GLN 25 -0.537 6.808 -14.911 151 HB3 GLN 25 HB1 GLN 25 0.594 7.879 -15.725 152 HG2 GLN 25 HG2 GLN 25 2.200 6.838 -13.830 153 HG3 GLN 25 HG1 GLN 25 1.090 5.492 -14.086 154 HE21 GLN 25 HE21 GLN 25 2.654 7.915 -16.160 155 HE22 GLN 25 HE22 GLN 25 3.280 6.781 -17.303 156 H ASP 26 HN ASP 26 -0.194 9.459 -11.411 157 HA ASP 26 HA ASP 26 -1.407 7.094 -10.223 158 HB2 ASP 26 HB2 ASP 26 1.072 8.431 -9.118 159 HB3 ASP 26 HB1 ASP 26 0.079 7.292 -8.213 160 H ARG 27 HN ARG 27 -3.331 8.151 -9.962 161 HA ARG 27 HA ARG 27 -3.631 10.799 -9.068 162 HB2 ARG 27 HB2 ARG 27 -5.361 9.396 -10.249 163 HB3 ARG 27 HB1 ARG 27 -5.636 8.570 -8.722 164 HG2 ARG 27 HG2 ARG 27 -6.758 10.312 -7.821 165 HG3 ARG 27 HG1 ARG 27 -5.788 11.518 -8.668 166 HD2 ARG 27 HD2 ARG 27 -6.969 10.898 -10.769 167 HD3 ARG 27 HD1 ARG 27 -8.011 9.838 -9.820 168 HE ARG 27 HE ARG 27 -8.172 12.692 -10.021 169 HH11 ARG 27 HH11 ARG 27 -8.860 9.950 -7.975 170 HH12 ARG 27 HH12 ARG 27 -10.129 10.753 -7.113 171 HH21 ARG 27 HH21 ARG 27 -9.841 13.750 -8.889 172 HH22 ARG 27 HH22 ARG 27 -10.687 12.910 -7.632 173 H CYS 28 HN CYS 28 -3.087 7.834 -7.356 174 HA CYS 28 HA CYS 28 -3.713 9.134 -4.802 175 HB2 CYS 28 HB2 CYS 28 -4.590 6.783 -5.512 176 HB3 CYS 28 HB1 CYS 28 -2.974 6.240 -5.072 177 H CYS 29 HN CYS 29 -1.249 9.546 -6.511 178 HA CYS 29 HA CYS 29 0.629 9.483 -4.341 179 HB2 CYS 29 HB2 CYS 29 1.540 7.490 -4.811 180 HB3 CYS 29 HB1 CYS 29 0.623 7.347 -6.302 181 H ASN 30 HN ASN 30 2.153 11.035 -4.533 182 HA ASN 30 HA ASN 30 2.188 12.555 -7.056 183 HB2 ASN 30 HB2 ASN 30 1.268 13.839 -5.199 184 HB3 ASN 30 HB1 ASN 30 2.693 13.497 -4.224 185 HD21 ASN 30 HD21 ASN 30 4.230 14.964 -4.218 186 HD22 ASN 30 HD22 ASN 30 4.443 16.216 -5.386 187 H ALA 31 HN ALA 31 3.999 12.438 -8.194 188 HA ALA 31 HA ALA 31 6.318 11.097 -7.311 189 HB1 ALA 31 HB1 ALA 31 5.347 11.752 -9.731 190 HB2 ALA 31 HB2 ALA 31 7.020 11.268 -9.451 191 HB3 ALA 31 HB3 ALA 31 6.604 12.978 -9.566 192 H ALA 32 HN ALA 32 5.584 14.538 -7.714 193 HA ALA 32 HA ALA 32 8.045 15.666 -7.239 194 HB1 ALA 32 HB1 ALA 32 5.373 16.550 -7.349 195 HB2 ALA 32 HB2 ALA 32 6.845 17.518 -7.435 196 HB3 ALA 32 HB3 ALA 32 6.076 17.219 -5.876 197 H THR 33 HN THR 33 6.086 13.916 -5.007 198 HA THR 33 HA THR 33 7.804 14.817 -2.789 199 HB THR 33 HB THR 33 5.326 15.308 -2.589 200 HG1 THR 33 HG1 THR 33 6.456 13.569 -0.658 201 HG21 THR 33 HG21 THR 33 3.818 13.547 -1.982 202 HG22 THR 33 HG22 THR 33 5.092 12.340 -2.154 203 HG23 THR 33 HG23 THR 33 4.496 13.200 -3.570 204 H CYS 34 HN CYS 34 6.699 12.184 -4.704 205 HA CYS 34 HA CYS 34 7.265 9.991 -4.776 206 HB2 CYS 34 HB2 CYS 34 9.390 10.585 -2.720 207 HB3 CYS 34 HB1 CYS 34 9.390 9.317 -3.942 208 H LYS 35 HN LYS 35 5.171 10.690 -3.235 209 HA LYS 35 HA LYS 35 5.080 8.512 -1.344 210 HB2 LYS 35 HB2 LYS 35 4.726 11.360 -0.374 211 HB3 LYS 35 HB1 LYS 35 4.336 9.925 0.560 212 HG2 LYS 35 HG2 LYS 35 7.084 10.660 -0.427 213 HG3 LYS 35 HG1 LYS 35 6.477 10.920 1.206 214 HD2 LYS 35 HD2 LYS 35 6.558 8.202 -0.083 215 HD3 LYS 35 HD1 LYS 35 7.901 8.854 0.858 216 HE2 LYS 35 HE2 LYS 35 5.254 9.008 2.139 217 HE3 LYS 35 HE1 LYS 35 5.888 7.380 1.900 218 HZ1 LYS 35 HZ1 LYS 35 7.730 9.345 3.006 219 HZ2 LYS 35 HZ2 LYS 35 7.538 7.708 3.384 220 HZ3 LYS 35 HZ3 LYS 35 6.466 8.852 4.016 221 H LEU 36 HN LEU 36 2.816 8.572 -0.217 222 HA LEU 36 HA LEU 36 0.862 8.495 -2.231 223 HB2 LEU 36 HB2 LEU 36 0.594 8.574 0.773 224 HB3 LEU 36 HB1 LEU 36 -0.751 8.295 -0.316 225 HG LEU 36 HG LEU 36 1.299 6.439 -0.994 226 HD11 LEU 36 HD11 LEU 36 2.239 6.763 1.209 227 HD12 LEU 36 HD12 LEU 36 1.451 5.187 1.120 228 HD13 LEU 36 HD13 LEU 36 0.656 6.525 1.950 229 HD21 LEU 36 HD21 LEU 36 -0.912 5.870 -1.451 230 HD22 LEU 36 HD22 LEU 36 -1.460 6.300 0.168 231 HD23 LEU 36 HD23 LEU 36 -0.499 4.842 -0.079 232 H THR 37 HN THR 37 -0.653 9.934 -2.915 233 HA THR 37 HA THR 37 -0.213 12.662 -2.705 234 HB THR 37 HB THR 37 -2.793 12.701 -3.358 235 HG1 THR 37 HG1 THR 37 -3.628 10.812 -3.636 236 HG21 THR 37 HG21 THR 37 -0.387 12.087 -4.908 237 HG22 THR 37 HG22 THR 37 -1.650 13.286 -5.186 238 HG23 THR 37 HG23 THR 37 -1.906 11.609 -5.666 239 HA PRO 38 HA PRO 38 -1.885 14.254 1.035 240 HB2 PRO 38 HB2 PRO 38 -3.806 16.054 0.118 241 HB3 PRO 38 HB1 PRO 38 -2.087 16.402 0.324 242 HG2 PRO 38 HG2 PRO 38 -3.592 15.668 -2.147 243 HG3 PRO 38 HG1 PRO 38 -2.257 16.818 -1.942 244 HD2 PRO 38 HD2 PRO 38 -1.855 14.403 -3.021 245 HD3 PRO 38 HD1 PRO 38 -0.649 15.141 -1.945 246 H GLY 39 HN GLY 39 -3.087 12.944 2.256 247 HA2 GLY 39 HA2 GLY 39 -5.115 12.242 3.197 248 HA3 GLY 39 HA1 GLY 39 -5.948 12.770 1.742 249 H SER 40 HN SER 40 -3.121 10.764 1.509 250 HA SER 40 HA SER 40 -4.792 8.394 1.059 251 HB2 SER 40 HB2 SER 40 -2.806 9.611 -0.847 252 HB3 SER 40 HB1 SER 40 -3.189 7.891 -0.908 253 HG SER 40 HG SER 40 -4.480 9.583 -2.192 254 H GLN 41 HN GLN 41 -4.029 6.625 2.023 255 HA GLN 41 HA GLN 41 -1.244 6.667 2.984 256 HB2 GLN 41 HB2 GLN 41 -3.608 5.195 4.159 257 HB3 GLN 41 HB1 GLN 41 -1.975 5.216 4.811 258 HG2 GLN 41 HG2 GLN 41 -3.209 7.853 4.414 259 HG3 GLN 41 HG1 GLN 41 -3.964 6.833 5.637 260 HE21 GLN 41 HE21 GLN 41 -0.801 8.018 4.579 261 HE22 GLN 41 HE22 GLN 41 -0.127 8.156 6.164 262 H CYS 42 HN CYS 42 -3.709 4.807 1.352 263 HA CYS 42 HA CYS 42 -1.678 2.776 0.689 264 HB2 CYS 42 HB2 CYS 42 -3.849 2.259 2.216 265 HB3 CYS 42 HB1 CYS 42 -4.489 1.925 0.611 266 H ASN 43 HN ASN 43 -1.106 3.405 -1.316 267 HA ASN 43 HA ASN 43 -3.192 4.059 -3.261 268 HB2 ASN 43 HB2 ASN 43 -1.149 4.609 -4.718 269 HB3 ASN 43 HB1 ASN 43 -1.478 5.664 -3.346 270 HD21 ASN 43 HD21 ASN 43 0.715 6.311 -3.429 271 HD22 ASN 43 HD22 ASN 43 1.959 5.313 -2.767 272 H TYR 44 HN TYR 44 -1.654 1.349 -2.202 273 HA TYR 44 HA TYR 44 -2.589 -0.313 -4.223 274 HB2 TYR 44 HB2 TYR 44 -0.933 -0.575 -5.750 275 HB3 TYR 44 HB1 TYR 44 -0.431 1.022 -5.211 276 HD1 TYR 44 HD2 TYR 44 0.126 -2.596 -4.594 277 HD2 TYR 44 HD1 TYR 44 1.704 1.342 -4.321 278 HE1 TYR 44 HE2 TYR 44 2.289 -3.522 -3.920 279 HE2 TYR 44 HE1 TYR 44 3.882 0.430 -3.647 280 HH TYR 44 HH TYR 44 4.690 -2.828 -3.966 281 H GLY 45 HN GLY 45 -2.732 -2.290 -3.364 282 HA2 GLY 45 HA2 GLY 45 -1.201 -4.018 -2.188 283 HA3 GLY 45 HA1 GLY 45 -1.204 -2.810 -0.911 284 H GLU 46 HN GLU 46 -2.061 -5.301 -0.321 285 HA GLU 46 HA GLU 46 -4.749 -5.908 -0.702 286 HB2 GLU 46 HB2 GLU 46 -2.635 -6.678 1.211 287 HB3 GLU 46 HB1 GLU 46 -4.286 -6.978 1.732 288 HG2 GLU 46 HG2 GLU 46 -3.234 -8.911 0.619 289 HG3 GLU 46 HG1 GLU 46 -4.708 -8.359 -0.175 290 H CYS 47 HN CYS 47 -3.241 -4.084 1.948 291 HA CYS 47 HA CYS 47 -5.655 -3.728 3.390 292 HB2 CYS 47 HB2 CYS 47 -2.885 -2.683 3.561 293 HB3 CYS 47 HB1 CYS 47 -4.142 -1.788 4.409 294 H CYS 48 HN CYS 48 -4.482 -2.113 0.601 295 HA CYS 48 HA CYS 48 -5.529 0.453 1.124 296 HB2 CYS 48 HB2 CYS 48 -5.233 -0.704 -1.632 297 HB3 CYS 48 HB1 CYS 48 -5.053 0.970 -1.112 298 H ASP 49 HN ASP 49 -7.367 1.438 0.653 299 HA ASP 49 HA ASP 49 -9.481 0.320 -0.888 300 HB2 ASP 49 HB2 ASP 49 -9.368 -0.539 1.793 301 HB3 ASP 49 HB1 ASP 49 -10.632 0.685 1.742 302 H GLN 50 HN GLN 50 -9.895 2.192 -1.913 303 HA GLN 50 HA GLN 50 -10.589 4.332 -2.279 304 HB2 GLN 50 HB2 GLN 50 -11.239 4.520 0.661 305 HB3 GLN 50 HB1 GLN 50 -11.955 5.427 -0.664 306 HG2 GLN 50 HG2 GLN 50 -12.526 2.870 -1.386 307 HG3 GLN 50 HG1 GLN 50 -12.603 2.771 0.372 308 HE21 GLN 50 HE21 GLN 50 -13.728 4.741 -2.345 309 HE22 GLN 50 HE22 GLN 50 -15.267 5.123 -1.658 310 H CYS 51 HN CYS 51 -7.881 3.729 -1.625 311 HA CYS 51 HA CYS 51 -5.909 4.786 -1.277 312 HB2 CYS 51 HB2 CYS 51 -7.778 7.118 -1.452 313 HB3 CYS 51 HB1 CYS 51 -6.108 7.382 -0.959 314 H ARG 52 HN ARG 52 -7.595 3.791 0.960 315 HA ARG 52 HA ARG 52 -6.123 5.139 3.109 316 HB2 ARG 52 HB2 ARG 52 -9.058 4.420 3.249 317 HB3 ARG 52 HB1 ARG 52 -8.096 5.070 4.570 318 HG2 ARG 52 HG2 ARG 52 -8.292 6.594 2.015 319 HG3 ARG 52 HG1 ARG 52 -9.634 6.629 3.161 320 HD2 ARG 52 HD2 ARG 52 -6.823 7.175 4.047 321 HD3 ARG 52 HD1 ARG 52 -7.813 8.446 3.331 322 HE ARG 52 HE ARG 52 -7.994 7.453 5.975 323 HH11 ARG 52 HH11 ARG 52 -9.972 8.596 3.337 324 HH12 ARG 52 HH12 ARG 52 -11.248 9.148 4.369 325 HH21 ARG 52 HH21 ARG 52 -9.671 8.179 7.334 326 HH22 ARG 52 HH22 ARG 52 -11.078 8.912 6.638 327 H PHE 53 HN PHE 53 -5.391 3.780 4.722 328 HA PHE 53 HA PHE 53 -5.121 1.056 4.104 329 HB2 PHE 53 HB2 PHE 53 -4.635 2.582 6.660 330 HB3 PHE 53 HB1 PHE 53 -4.336 0.850 6.529 331 HD1 PHE 53 HD2 PHE 53 -3.351 0.883 3.661 332 HD2 PHE 53 HD1 PHE 53 -2.405 3.292 7.034 333 HE1 PHE 53 HE2 PHE 53 -1.145 1.321 2.713 334 HE2 PHE 53 HE1 PHE 53 -0.176 3.737 6.090 335 HZ PHE 53 HZ PHE 53 0.462 2.750 3.924 336 H LYS 54 HN LYS 54 -6.185 -0.727 4.662 337 HA LYS 54 HA LYS 54 -8.894 -0.547 5.414 338 HB2 LYS 54 HB2 LYS 54 -6.995 -2.660 4.745 339 HB3 LYS 54 HB1 LYS 54 -8.153 -3.164 5.967 340 HG2 LYS 54 HG2 LYS 54 -9.943 -2.984 4.547 341 HG3 LYS 54 HG1 LYS 54 -9.150 -1.783 3.526 342 HD2 LYS 54 HD2 LYS 54 -7.594 -4.136 3.387 343 HD3 LYS 54 HD1 LYS 54 -9.279 -4.626 3.206 344 HE2 LYS 54 HE2 LYS 54 -9.290 -2.516 1.577 345 HE3 LYS 54 HE1 LYS 54 -7.584 -2.943 1.450 346 HZ1 LYS 54 HZ1 LYS 54 -8.206 -5.162 0.776 347 HZ2 LYS 54 HZ2 LYS 54 -8.939 -4.031 -0.247 348 HZ3 LYS 54 HZ3 LYS 54 -9.850 -4.799 0.954 349 H LYS 55 HN LYS 55 -9.186 0.495 7.336 350 HA LYS 55 HA LYS 55 -8.000 0.681 9.646 351 HB2 LYS 55 HB2 LYS 55 -10.336 1.385 9.251 352 HB3 LYS 55 HB1 LYS 55 -10.862 -0.275 9.498 353 HG2 LYS 55 HG2 LYS 55 -10.518 -0.198 11.758 354 HG3 LYS 55 HG1 LYS 55 -9.274 1.048 11.636 355 HD2 LYS 55 HD2 LYS 55 -11.418 2.396 10.691 356 HD3 LYS 55 HD1 LYS 55 -12.204 1.302 11.832 357 HE2 LYS 55 HE2 LYS 55 -11.148 2.220 13.650 358 HE3 LYS 55 HE1 LYS 55 -9.761 2.761 12.706 359 HZ1 LYS 55 HZ1 LYS 55 -11.315 4.414 11.667 360 HZ2 LYS 55 HZ2 LYS 55 -10.966 4.679 13.300 361 HZ3 LYS 55 HZ3 LYS 55 -12.448 3.999 12.852 362 H ALA 56 HN ALA 56 -7.088 -0.494 11.205 363 HA ALA 56 HA ALA 56 -6.489 -3.124 11.061 364 HB1 ALA 56 HB1 ALA 56 -6.719 -1.256 13.352 365 HB2 ALA 56 HB2 ALA 56 -5.316 -2.133 12.738 366 HB3 ALA 56 HB3 ALA 56 -6.529 -2.974 13.704 367 H GLY 57 HN GLY 57 -7.536 -4.989 11.198 368 HA2 GLY 57 HA2 GLY 57 -9.112 -6.370 12.509 369 HA3 GLY 57 HA1 GLY 57 -10.192 -4.981 12.509 370 H THR 58 HN THR 58 -8.969 -4.746 9.576 371 HA THR 58 HA THR 58 -11.229 -6.030 8.324 372 HB THR 58 HB THR 58 -8.893 -4.501 7.152 373 HG1 THR 58 HG1 THR 58 -9.997 -2.823 7.702 374 HG21 THR 58 HG21 THR 58 -10.698 -6.122 5.795 375 HG22 THR 58 HG22 THR 58 -9.634 -4.888 5.113 376 HG23 THR 58 HG23 THR 58 -11.287 -4.473 5.570 377 H VAL 59 HN VAL 59 -11.141 -8.184 8.026 378 HA VAL 59 HA VAL 59 -8.712 -9.632 7.843 379 HB VAL 59 HB VAL 59 -10.697 -10.725 8.714 380 HG11 VAL 59 HG11 VAL 59 -12.020 -11.062 6.116 381 HG12 VAL 59 HG12 VAL 59 -12.077 -9.428 6.776 382 HG13 VAL 59 HG13 VAL 59 -12.709 -10.781 7.715 383 HG21 VAL 59 HG21 VAL 59 -9.023 -12.153 7.692 384 HG22 VAL 59 HG22 VAL 59 -9.790 -11.957 6.116 385 HG23 VAL 59 HG23 VAL 59 -10.638 -12.805 7.410 386 H CYS 60 HN CYS 60 -7.405 -9.801 6.155 387 HA CYS 60 HA CYS 60 -8.512 -9.347 3.465 388 HB2 CYS 60 HB2 CYS 60 -5.588 -9.342 4.198 389 HB3 CYS 60 HB1 CYS 60 -6.340 -8.701 2.742 390 H ARG 61 HN ARG 61 -6.946 -11.664 5.495 391 HA ARG 61 HA ARG 61 -7.305 -13.714 3.479 392 HB2 ARG 61 HB2 ARG 61 -4.580 -13.440 4.729 393 HB3 ARG 61 HB1 ARG 61 -5.064 -14.468 3.388 394 HG2 ARG 61 HG2 ARG 61 -5.376 -12.513 1.981 395 HG3 ARG 61 HG1 ARG 61 -4.928 -11.463 3.325 396 HD2 ARG 61 HD2 ARG 61 -3.159 -13.550 2.052 397 HD3 ARG 61 HD1 ARG 61 -3.063 -11.812 1.772 398 HE ARG 61 HE ARG 61 -2.790 -12.663 4.529 399 HH11 ARG 61 HH11 ARG 61 -1.159 -11.814 1.561 400 HH12 ARG 61 HH12 ARG 61 0.337 -11.441 2.348 401 HH21 ARG 61 HH21 ARG 61 -0.826 -12.178 5.560 402 HH22 ARG 61 HH22 ARG 61 0.527 -11.648 4.618 403 H ILE 62 HN ILE 62 -6.581 -15.892 4.384 404 HA ILE 62 HA ILE 62 -6.557 -16.193 7.242 405 HB ILE 62 HB ILE 62 -8.882 -17.462 5.801 406 HG12 ILE 62 HG12 ILE 62 -10.269 -15.801 7.184 407 HG13 ILE 62 HG11 ILE 62 -8.788 -14.865 7.327 408 HG21 ILE 62 HG21 ILE 62 -7.712 -18.169 8.115 409 HG22 ILE 62 HG22 ILE 62 -9.424 -18.411 7.770 410 HG23 ILE 62 HG23 ILE 62 -8.903 -17.012 8.710 411 HD11 ILE 62 HD11 ILE 62 -10.656 -15.029 5.152 412 HD12 ILE 62 HD12 ILE 62 -9.021 -15.423 4.618 413 HD13 ILE 62 HD13 ILE 62 -9.339 -13.887 5.425 414 H ALA 63 HN ALA 63 -5.353 -17.915 7.681 415 HA ALA 63 HA ALA 63 -4.009 -19.432 5.863 416 HB1 ALA 63 HB1 ALA 63 -3.035 -20.179 7.705 417 HB2 ALA 63 HB2 ALA 63 -4.478 -21.107 8.115 418 HB3 ALA 63 HB3 ALA 63 -4.315 -19.441 8.667 419 H ARG 64 HN ARG 64 -6.656 -20.853 7.775 420 HA ARG 64 HA ARG 64 -8.175 -21.799 5.645 421 HB2 ARG 64 HB2 ARG 64 -5.816 -23.144 5.604 422 HB3 ARG 64 HB1 ARG 64 -6.771 -24.201 6.632 423 HG2 ARG 64 HG2 ARG 64 -6.985 -24.972 4.396 424 HG3 ARG 64 HG1 ARG 64 -8.520 -24.231 4.854 425 HD2 ARG 64 HD2 ARG 64 -7.518 -22.093 3.782 426 HD3 ARG 64 HD1 ARG 64 -6.403 -23.212 2.999 427 HE ARG 64 HE ARG 64 -9.131 -22.772 2.325 428 HH11 ARG 64 HH11 ARG 64 -6.658 -25.232 2.440 429 HH12 ARG 64 HH12 ARG 64 -7.371 -26.184 1.181 430 HH21 ARG 64 HH21 ARG 64 -10.070 -24.023 0.670 431 HH22 ARG 64 HH22 ARG 64 -9.308 -25.498 0.176 432 H GLY 65 HN GLY 65 -9.408 -20.882 7.549 433 HA2 GLY 65 HA2 GLY 65 -11.189 -22.498 8.637 434 HA3 GLY 65 HA1 GLY 65 -9.828 -22.809 9.705 435 H ASP 66 HN ASP 66 -9.694 -21.607 11.466 436 HA ASP 66 HA ASP 66 -10.247 -18.827 11.524 437 HB2 ASP 66 HB2 ASP 66 -12.157 -19.015 13.198 438 HB3 ASP 66 HB1 ASP 66 -12.555 -19.368 11.520 439 H TRP 67 HN TRP 67 -8.114 -19.036 12.375 440 HA TRP 67 HA TRP 67 -8.054 -19.843 15.210 441 HB2 TRP 67 HB2 TRP 67 -5.407 -19.784 14.269 442 HB3 TRP 67 HB1 TRP 67 -6.357 -21.209 14.667 443 HD1 TRP 67 HD1 TRP 67 -5.711 -18.939 11.581 444 HE1 TRP 67 HE1 TRP 67 -5.837 -20.415 9.486 445 HE3 TRP 67 HE3 TRP 67 -6.987 -23.360 13.786 446 HZ2 TRP 67 HZ2 TRP 67 -6.395 -23.102 8.846 447 HZ3 TRP 67 HZ3 TRP 67 -7.298 -25.346 12.362 448 HH2 TRP 67 HH2 TRP 67 -7.007 -25.217 9.940 449 H ASN 68 HN ASN 68 -6.012 -17.967 13.023 450 HA ASN 68 HA ASN 68 -6.042 -15.755 14.966 451 HB2 ASN 68 HB2 ASN 68 -3.891 -16.087 12.895 452 HB3 ASN 68 HB1 ASN 68 -3.824 -15.235 14.433 453 HD21 ASN 68 HD21 ASN 68 -4.005 -18.433 12.972 454 HD22 ASN 68 HD22 ASN 68 -3.211 -19.266 14.261 455 H ASP 69 HN ASP 69 -6.222 -16.680 11.587 456 HA ASP 69 HA ASP 69 -7.059 -15.647 9.747 457 HB2 ASP 69 HB2 ASP 69 -8.458 -14.236 11.976 458 HB3 ASP 69 HB1 ASP 69 -8.603 -13.586 10.346 459 H ASP 70 HN ASP 70 -6.589 -13.980 8.310 460 HA ASP 70 HA ASP 70 -4.363 -12.315 9.110 461 HB2 ASP 70 HB2 ASP 70 -4.505 -13.579 6.896 462 HB3 ASP 70 HB1 ASP 70 -5.689 -12.379 6.405 463 H TYR 71 HN TYR 71 -4.497 -10.231 9.673 464 HA TYR 71 HA TYR 71 -6.882 -8.734 8.847 465 HB2 TYR 71 HB2 TYR 71 -5.884 -9.206 11.624 466 HB3 TYR 71 HB1 TYR 71 -6.756 -7.723 11.237 467 HD1 TYR 71 HD1 TYR 71 -9.032 -7.928 10.197 468 HD2 TYR 71 HD2 TYR 71 -7.046 -11.198 12.022 469 HE1 TYR 71 HE1 TYR 71 -11.180 -9.084 10.407 470 HE2 TYR 71 HE2 TYR 71 -9.178 -12.389 12.236 471 HH TYR 71 HH TYR 71 -12.033 -11.355 10.658 472 H CYS 72 HN CYS 72 -6.666 -6.608 8.507 473 HA CYS 72 HA CYS 72 -4.062 -5.586 7.983 474 HB2 CYS 72 HB2 CYS 72 -6.221 -4.998 6.766 475 HB3 CYS 72 HB1 CYS 72 -6.615 -3.987 8.151 476 H THR 73 HN THR 73 -3.284 -3.482 8.897 477 HA THR 73 HA THR 73 -3.960 -3.277 11.758 478 HB THR 73 HB THR 73 -1.704 -2.983 12.327 479 HG1 THR 73 HG1 THR 73 -0.102 -2.555 10.801 480 HG21 THR 73 HG21 THR 73 -0.830 -4.992 11.882 481 HG22 THR 73 HG22 THR 73 -0.995 -4.794 10.137 482 HG23 THR 73 HG23 THR 73 -2.385 -5.292 11.103 483 H GLY 74 HN GLY 74 -4.600 -1.736 9.088 484 HA2 GLY 74 HA2 GLY 74 -4.939 0.442 8.447 485 HA3 GLY 74 HA1 GLY 74 -5.212 0.716 10.160 486 H LYS 75 HN LYS 75 -2.109 -0.375 9.025 487 HA LYS 75 HA LYS 75 -1.049 2.353 9.269 488 HB2 LYS 75 HB2 LYS 75 -0.009 -0.115 10.657 489 HB3 LYS 75 HB1 LYS 75 0.922 1.368 10.498 490 HG2 LYS 75 HG2 LYS 75 -1.264 2.415 11.567 491 HG3 LYS 75 HG1 LYS 75 -1.432 0.774 12.195 492 HD2 LYS 75 HD2 LYS 75 1.171 1.216 12.724 493 HD3 LYS 75 HD1 LYS 75 0.550 2.864 12.842 494 HE2 LYS 75 HE2 LYS 75 0.397 1.967 15.017 495 HE3 LYS 75 HE1 LYS 75 -1.242 1.933 14.369 496 HZ1 LYS 75 HZ1 LYS 75 -1.101 -0.162 15.200 497 HZ2 LYS 75 HZ2 LYS 75 0.569 -0.285 14.961 498 HZ3 LYS 75 HZ3 LYS 75 -0.487 -0.466 13.652 499 H SER 76 HN SER 76 -1.390 -0.184 7.254 500 HA SER 76 HA SER 76 0.673 0.705 5.514 501 HB2 SER 76 HB2 SER 76 1.160 -1.723 7.172 502 HB3 SER 76 HB1 SER 76 1.687 -1.752 5.489 503 HG SER 76 HG SER 76 3.378 -0.806 6.354 504 H SER 77 HN SER 77 0.914 -0.880 3.606 505 HA SER 77 HA SER 77 -1.771 -1.545 2.710 506 HB2 SER 77 HB2 SER 77 -0.919 -1.492 0.532 507 HB3 SER 77 HB1 SER 77 0.056 -0.279 1.360 508 HG SER 77 HG SER 77 1.074 -2.085 -0.007 509 H ASP 78 HN ASP 78 0.145 -3.173 4.605 510 HA ASP 78 HA ASP 78 -0.115 -5.726 3.161 511 HB2 ASP 78 HB2 ASP 78 1.749 -4.943 5.410 512 HB3 ASP 78 HB1 ASP 78 1.610 -6.573 4.758 513 H CYS 79 HN CYS 79 -1.106 -7.449 4.100 514 HA CYS 79 HA CYS 79 -2.503 -6.942 6.649 515 HB2 CYS 79 HB2 CYS 79 -3.621 -7.424 4.135 516 HB3 CYS 79 HB1 CYS 79 -3.759 -8.962 4.980 517 HA PRO 80 HA PRO 80 0.167 -10.521 7.588 518 HB2 PRO 80 HB2 PRO 80 0.006 -10.256 10.283 519 HB3 PRO 80 HB1 PRO 80 1.096 -9.283 9.288 520 HG2 PRO 80 HG2 PRO 80 -1.598 -8.574 10.390 521 HG3 PRO 80 HG1 PRO 80 -0.114 -7.603 10.356 522 HD2 PRO 80 HD2 PRO 80 -2.103 -7.249 8.568 523 HD3 PRO 80 HD1 PRO 80 -0.397 -7.018 8.141 524 H TRP 81 HN TRP 81 -0.353 -12.595 8.021 525 HA TRP 81 HA TRP 81 -3.053 -13.425 8.171 526 HB2 TRP 81 HB2 TRP 81 -1.021 -15.339 9.134 527 HB3 TRP 81 HB1 TRP 81 -2.275 -15.545 7.920 528 HD1 TRP 81 HD1 TRP 81 1.372 -14.480 8.318 529 HE1 TRP 81 HE1 TRP 81 2.461 -14.444 5.985 530 HE3 TRP 81 HE3 TRP 81 -2.800 -15.187 5.491 531 HZ2 TRP 81 HZ2 TRP 81 1.644 -14.694 3.302 532 HZ3 TRP 81 HZ3 TRP 81 -2.573 -15.286 3.035 533 HH2 TRP 81 HH2 TRP 81 -0.390 -15.040 1.963 534 H ASN 82 HN ASN 82 -0.845 -12.464 10.568 535 HA ASN 82 HA ASN 82 -1.069 -12.218 12.835 536 HB2 ASN 82 HB2 ASN 82 -3.742 -13.620 12.531 537 HB3 ASN 82 HB1 ASN 82 -3.166 -12.781 13.966 538 HD21 ASN 82 HD21 ASN 82 -3.944 -10.833 14.227 539 HD22 ASN 82 HD22 ASN 82 -4.471 -9.763 12.977 540 H HIS 83 HN HIS 83 -0.043 -14.534 11.290 541 HA HIS 83 HA HIS 83 -0.352 -16.737 13.188 542 HB2 HIS 83 HB2 HIS 83 0.939 -16.635 10.447 543 HB3 HIS 83 HB1 HIS 83 0.776 -18.084 11.439 544 HD1 HIS 83 HD1 HIS 83 -0.523 -17.629 8.570 545 HD2 HIS 83 HD2 HIS 83 -2.458 -17.291 12.230 546 HE1 HIS 83 HE1 HIS 83 -2.966 -17.944 8.072 547 HE2 HIS 83 HE2 HIS 83 -4.106 -17.842 10.315 Start of MODEL 42 1 H1 SER 1 HT1 SER 1 16.601 -2.954 -11.463 2 H2 SER 1 HT2 SER 1 17.258 -1.801 -12.551 3 H3 SER 1 HT3 SER 1 16.110 -2.949 -13.105 4 HA SER 1 HA SER 1 14.967 -0.974 -12.885 5 HB2 SER 1 HB2 SER 1 14.058 -3.156 -11.847 6 HB3 SER 1 HB1 SER 1 14.418 -2.409 -10.291 7 HG SER 1 HG SER 1 12.720 -1.198 -10.511 8 HA PRO 2 HA PRO 2 17.814 1.565 -10.207 9 HB2 PRO 2 HB2 PRO 2 16.483 3.564 -11.978 10 HB3 PRO 2 HB1 PRO 2 18.177 3.447 -11.488 11 HG2 PRO 2 HG2 PRO 2 17.422 2.698 -13.925 12 HG3 PRO 2 HG1 PRO 2 18.646 1.777 -13.030 13 HD2 PRO 2 HD2 PRO 2 15.782 1.125 -13.546 14 HD3 PRO 2 HD1 PRO 2 17.184 0.043 -13.424 15 HA PRO 3 HA PRO 3 14.029 2.337 -7.765 16 HB2 PRO 3 HB2 PRO 3 15.303 2.474 -5.378 17 HB3 PRO 3 HB1 PRO 3 14.875 0.943 -6.144 18 HG2 PRO 3 HG2 PRO 3 17.503 2.381 -6.122 19 HG3 PRO 3 HG1 PRO 3 17.170 0.656 -5.877 20 HD2 PRO 3 HD2 PRO 3 18.042 1.631 -8.237 21 HD3 PRO 3 HD1 PRO 3 16.929 0.252 -8.136 22 H VAL 4 HN VAL 4 14.538 4.410 -9.173 23 HA VAL 4 HA VAL 4 15.154 6.611 -7.314 24 HB VAL 4 HB VAL 4 15.572 7.892 -9.564 25 HG11 VAL 4 HG11 VAL 4 17.221 7.588 -7.799 26 HG12 VAL 4 HG12 VAL 4 17.958 7.377 -9.387 27 HG13 VAL 4 HG13 VAL 4 17.580 5.968 -8.397 28 HG21 VAL 4 HG21 VAL 4 14.995 5.501 -10.676 29 HG22 VAL 4 HG22 VAL 4 16.748 5.378 -10.550 30 HG23 VAL 4 HG23 VAL 4 16.019 6.717 -11.436 31 H CYS 5 HN CYS 5 13.911 8.533 -7.498 32 HA CYS 5 HA CYS 5 11.172 8.025 -8.269 33 HB2 CYS 5 HB2 CYS 5 12.511 9.813 -6.492 34 HB3 CYS 5 HB1 CYS 5 11.617 10.792 -7.649 35 H GLY 6 HN GLY 6 11.254 7.755 -10.433 36 HA2 GLY 6 HA2 GLY 6 10.602 9.474 -12.274 37 HA3 GLY 6 HA1 GLY 6 12.300 9.912 -12.107 38 H ASN 7 HN ASN 7 11.196 6.664 -11.658 39 HA ASN 7 HA ASN 7 12.233 5.841 -14.277 40 HB2 ASN 7 HB2 ASN 7 13.763 5.515 -12.126 41 HB3 ASN 7 HB1 ASN 7 12.720 4.120 -11.870 42 HD21 ASN 7 HD21 ASN 7 12.324 3.009 -14.197 43 HD22 ASN 7 HD22 ASN 7 13.799 2.586 -14.990 44 H LYS 8 HN LYS 8 9.592 6.188 -12.686 45 HA LYS 8 HA LYS 8 7.546 5.265 -12.747 46 HB2 LYS 8 HB2 LYS 8 8.881 3.196 -14.498 47 HB3 LYS 8 HB1 LYS 8 7.161 3.204 -14.139 48 HG2 LYS 8 HG2 LYS 8 7.446 5.726 -15.010 49 HG3 LYS 8 HG1 LYS 8 8.732 4.939 -15.929 50 HD2 LYS 8 HD2 LYS 8 5.942 3.827 -15.820 51 HD3 LYS 8 HD1 LYS 8 6.417 5.046 -17.004 52 HE2 LYS 8 HE2 LYS 8 8.412 3.342 -17.394 53 HE3 LYS 8 HE1 LYS 8 7.225 2.196 -16.772 54 HZ1 LYS 8 HZ1 LYS 8 5.669 3.080 -18.489 55 HZ2 LYS 8 HZ2 LYS 8 7.005 2.255 -19.116 56 HZ3 LYS 8 HZ3 LYS 8 6.963 3.945 -19.153 57 H ILE 9 HN ILE 9 9.948 4.377 -11.007 58 HA ILE 9 HA ILE 9 8.674 2.027 -9.779 59 HB ILE 9 HB ILE 9 11.524 3.025 -9.526 60 HG12 ILE 9 HG12 ILE 9 11.248 0.294 -10.389 61 HG13 ILE 9 HG11 ILE 9 10.304 1.342 -11.444 62 HG21 ILE 9 HG21 ILE 9 11.714 0.707 -8.334 63 HG22 ILE 9 HG22 ILE 9 9.991 0.943 -8.038 64 HG23 ILE 9 HG23 ILE 9 11.158 2.124 -7.443 65 HD11 ILE 9 HD11 ILE 9 12.989 0.814 -11.651 66 HD12 ILE 9 HD12 ILE 9 12.945 2.404 -10.891 67 HD13 ILE 9 HD13 ILE 9 12.126 2.140 -12.429 68 H LEU 10 HN LEU 10 8.431 2.055 -7.474 69 HA LEU 10 HA LEU 10 7.710 4.620 -6.454 70 HB2 LEU 10 HB2 LEU 10 7.955 1.940 -5.098 71 HB3 LEU 10 HB1 LEU 10 7.310 3.378 -4.334 72 HG LEU 10 HG LEU 10 5.616 3.399 -6.276 73 HD11 LEU 10 HD11 LEU 10 7.049 0.868 -6.685 74 HD12 LEU 10 HD12 LEU 10 6.130 1.851 -7.823 75 HD13 LEU 10 HD13 LEU 10 5.289 0.754 -6.727 76 HD21 LEU 10 HD21 LEU 10 5.739 1.864 -3.793 77 HD22 LEU 10 HD22 LEU 10 4.527 1.286 -4.939 78 HD23 LEU 10 HD23 LEU 10 4.497 2.963 -4.391 79 H GLU 11 HN GLU 11 10.316 4.876 -7.159 80 HA GLU 11 HA GLU 11 12.472 5.186 -6.426 81 HB2 GLU 11 HB2 GLU 11 11.501 7.270 -5.854 82 HB3 GLU 11 HB1 GLU 11 10.700 6.591 -4.443 83 HG2 GLU 11 HG2 GLU 11 12.578 6.645 -3.173 84 HG3 GLU 11 HG1 GLU 11 13.650 6.446 -4.556 85 H GLN 12 HN GLN 12 12.757 2.885 -5.979 86 HA GLN 12 HA GLN 12 13.575 1.217 -4.680 87 HB2 GLN 12 HB2 GLN 12 13.787 2.679 -2.144 88 HB3 GLN 12 HB1 GLN 12 14.989 1.736 -3.000 89 HG2 GLN 12 HG2 GLN 12 15.974 3.553 -3.781 90 HG3 GLN 12 HG1 GLN 12 14.459 4.216 -4.376 91 HE21 GLN 12 HE21 GLN 12 15.290 3.414 -1.052 92 HE22 GLN 12 HE22 GLN 12 15.192 5.029 -0.445 93 H GLY 13 HN GLY 13 11.966 3.037 -2.121 94 HA2 GLY 13 HA2 GLY 13 9.722 1.189 -2.077 95 HA3 GLY 13 HA1 GLY 13 10.781 1.127 -0.672 96 H GLU 14 HN GLU 14 10.035 3.957 -2.559 97 HA GLU 14 HA GLU 14 9.443 5.556 -0.318 98 HB2 GLU 14 HB2 GLU 14 9.508 5.831 -3.246 99 HB3 GLU 14 HB1 GLU 14 8.473 6.978 -2.406 100 HG2 GLU 14 HG2 GLU 14 11.337 6.495 -1.651 101 HG3 GLU 14 HG1 GLU 14 10.845 7.704 -2.834 102 H ASP 15 HN ASP 15 7.378 4.019 -2.736 103 HA ASP 15 HA ASP 15 5.220 3.212 -2.418 104 HB2 ASP 15 HB2 ASP 15 5.623 3.844 0.131 105 HB3 ASP 15 HB1 ASP 15 4.578 5.200 -0.283 106 H CYS 16 HN CYS 16 6.205 5.148 -4.128 107 HA CYS 16 HA CYS 16 3.824 6.271 -5.129 108 HB2 CYS 16 HB2 CYS 16 4.166 7.899 -3.329 109 HB3 CYS 16 HB1 CYS 16 5.783 8.227 -3.937 110 H ASP 17 HN ASP 17 4.501 5.283 -7.008 111 HA ASP 17 HA ASP 17 7.059 6.146 -8.133 112 HB2 ASP 17 HB2 ASP 17 6.945 4.222 -9.552 113 HB3 ASP 17 HB1 ASP 17 6.534 3.714 -7.916 114 H CYS 18 HN CYS 18 7.215 7.449 -9.796 115 HA CYS 18 HA CYS 18 5.171 7.688 -11.802 116 HB2 CYS 18 HB2 CYS 18 5.633 9.865 -9.779 117 HB3 CYS 18 HB1 CYS 18 5.111 10.261 -11.411 118 H GLY 19 HN GLY 19 6.183 8.025 -13.689 119 HA2 GLY 19 HA2 GLY 19 8.934 8.202 -13.967 120 HA3 GLY 19 HA1 GLY 19 7.783 8.636 -15.222 121 H SER 20 HN SER 20 6.563 10.831 -14.227 122 HA SER 20 HA SER 20 8.685 12.721 -13.511 123 HB2 SER 20 HB2 SER 20 6.716 13.401 -15.687 124 HB3 SER 20 HB1 SER 20 8.233 14.206 -15.286 125 HG SER 20 HG SER 20 8.869 13.008 -16.929 126 HA PRO 21 HA PRO 21 5.721 14.221 -10.594 127 HB2 PRO 21 HB2 PRO 21 6.403 16.925 -10.729 128 HB3 PRO 21 HB1 PRO 21 7.150 15.724 -9.673 129 HG2 PRO 21 HG2 PRO 21 8.089 16.794 -12.290 130 HG3 PRO 21 HG1 PRO 21 9.028 16.332 -10.859 131 HD2 PRO 21 HD2 PRO 21 8.917 14.763 -13.033 132 HD3 PRO 21 HD1 PRO 21 8.971 14.077 -11.395 133 H ALA 22 HN ALA 22 6.068 15.689 -13.756 134 HA ALA 22 HA ALA 22 3.494 17.016 -13.609 135 HB1 ALA 22 HB1 ALA 22 4.080 17.417 -16.120 136 HB2 ALA 22 HB2 ALA 22 5.687 16.877 -15.633 137 HB3 ALA 22 HB3 ALA 22 4.958 18.286 -14.861 138 H ASN 23 HN ASN 23 4.880 14.081 -14.867 139 HA ASN 23 HA ASN 23 2.311 13.374 -16.114 140 HB2 ASN 23 HB2 ASN 23 5.107 12.320 -16.563 141 HB3 ASN 23 HB1 ASN 23 3.671 11.540 -17.220 142 HD21 ASN 23 HD21 ASN 23 5.635 14.432 -17.274 143 HD22 ASN 23 HD22 ASN 23 5.082 15.011 -18.805 144 H CYS 24 HN CYS 24 3.152 13.267 -13.226 145 HA CYS 24 HA CYS 24 3.517 10.601 -12.435 146 HB2 CYS 24 HB2 CYS 24 4.005 12.476 -10.951 147 HB3 CYS 24 HB1 CYS 24 2.303 12.922 -10.927 148 H GLN 25 HN GLN 25 2.080 9.340 -13.584 149 HA GLN 25 HA GLN 25 -0.729 9.752 -13.598 150 HB2 GLN 25 HB2 GLN 25 -0.854 7.489 -14.539 151 HB3 GLN 25 HB1 GLN 25 0.380 8.453 -15.338 152 HG2 GLN 25 HG2 GLN 25 2.001 7.335 -13.669 153 HG3 GLN 25 HG1 GLN 25 0.705 6.159 -13.452 154 HE21 GLN 25 HE21 GLN 25 2.494 7.801 -16.039 155 HE22 GLN 25 HE22 GLN 25 2.602 6.422 -17.074 156 H ASP 26 HN ASP 26 -0.281 10.091 -11.027 157 HA ASP 26 HA ASP 26 -1.658 7.854 -9.802 158 HB2 ASP 26 HB2 ASP 26 1.084 7.986 -9.522 159 HB3 ASP 26 HB1 ASP 26 0.509 8.806 -8.073 160 H ARG 27 HN ARG 27 -3.426 9.130 -9.458 161 HA ARG 27 HA ARG 27 -3.386 11.785 -8.561 162 HB2 ARG 27 HB2 ARG 27 -5.753 11.520 -8.152 163 HB3 ARG 27 HB1 ARG 27 -5.323 10.697 -9.646 164 HG2 ARG 27 HG2 ARG 27 -5.079 8.653 -7.933 165 HG3 ARG 27 HG1 ARG 27 -6.306 9.602 -7.091 166 HD2 ARG 27 HD2 ARG 27 -7.874 9.235 -8.683 167 HD3 ARG 27 HD1 ARG 27 -6.697 9.244 -9.995 168 HE ARG 27 HE ARG 27 -6.523 6.971 -9.808 169 HH11 ARG 27 HH11 ARG 27 -8.071 8.220 -6.941 170 HH12 ARG 27 HH12 ARG 27 -8.466 6.652 -6.320 171 HH21 ARG 27 HH21 ARG 27 -7.041 4.909 -8.993 172 HH22 ARG 27 HH22 ARG 27 -7.881 4.772 -7.484 173 H CYS 28 HN CYS 28 -3.219 8.762 -6.831 174 HA CYS 28 HA CYS 28 -3.454 10.182 -4.274 175 HB2 CYS 28 HB2 CYS 28 -3.706 7.286 -5.046 176 HB3 CYS 28 HB1 CYS 28 -3.446 7.759 -3.371 177 H CYS 29 HN CYS 29 -1.091 10.314 -6.029 178 HA CYS 29 HA CYS 29 0.892 9.894 -4.022 179 HB2 CYS 29 HB2 CYS 29 1.414 7.772 -4.539 180 HB3 CYS 29 HB1 CYS 29 0.445 7.809 -6.003 181 H ASN 30 HN ASN 30 2.437 11.375 -4.249 182 HA ASN 30 HA ASN 30 2.655 12.750 -6.845 183 HB2 ASN 30 HB2 ASN 30 1.885 14.301 -5.219 184 HB3 ASN 30 HB1 ASN 30 3.036 13.730 -4.017 185 HD21 ASN 30 HD21 ASN 30 4.554 15.146 -3.642 186 HD22 ASN 30 HD22 ASN 30 5.294 16.191 -4.796 187 H ALA 31 HN ALA 31 4.513 12.603 -7.929 188 HA ALA 31 HA ALA 31 6.665 11.015 -6.977 189 HB1 ALA 31 HB1 ALA 31 7.332 11.012 -9.115 190 HB2 ALA 31 HB2 ALA 31 7.273 12.770 -9.238 191 HB3 ALA 31 HB3 ALA 31 5.800 11.822 -9.441 192 H ALA 32 HN ALA 32 6.109 14.480 -7.213 193 HA ALA 32 HA ALA 32 8.699 15.406 -6.753 194 HB1 ALA 32 HB1 ALA 32 6.000 16.503 -6.623 195 HB2 ALA 32 HB2 ALA 32 7.489 17.222 -7.236 196 HB3 ALA 32 HB3 ALA 32 7.129 17.275 -5.510 197 H THR 33 HN THR 33 6.542 13.790 -4.632 198 HA THR 33 HA THR 33 8.224 14.522 -2.324 199 HB THR 33 HB THR 33 5.798 15.180 -2.169 200 HG1 THR 33 HG1 THR 33 6.646 13.222 -0.305 201 HG21 THR 33 HG21 THR 33 4.817 13.241 -3.317 202 HG22 THR 33 HG22 THR 33 4.132 13.497 -1.713 203 HG23 THR 33 HG23 THR 33 5.314 12.214 -1.973 204 H CYS 34 HN CYS 34 7.055 12.029 -4.368 205 HA CYS 34 HA CYS 34 7.497 9.819 -4.511 206 HB2 CYS 34 HB2 CYS 34 9.595 10.418 -2.417 207 HB3 CYS 34 HB1 CYS 34 9.497 8.947 -3.378 208 H LYS 35 HN LYS 35 5.373 10.572 -2.997 209 HA LYS 35 HA LYS 35 5.049 8.277 -1.292 210 HB2 LYS 35 HB2 LYS 35 4.766 11.008 -0.014 211 HB3 LYS 35 HB1 LYS 35 4.520 9.450 0.760 212 HG2 LYS 35 HG2 LYS 35 6.928 8.957 0.398 213 HG3 LYS 35 HG1 LYS 35 7.123 10.602 -0.211 214 HD2 LYS 35 HD2 LYS 35 7.701 10.897 1.990 215 HD3 LYS 35 HD1 LYS 35 5.970 11.236 2.063 216 HE2 LYS 35 HE2 LYS 35 6.071 9.757 3.775 217 HE3 LYS 35 HE1 LYS 35 5.902 8.595 2.460 218 HZ1 LYS 35 HZ1 LYS 35 7.690 7.986 3.970 219 HZ2 LYS 35 HZ2 LYS 35 8.472 9.457 3.675 220 HZ3 LYS 35 HZ3 LYS 35 8.298 8.327 2.428 221 H LEU 36 HN LEU 36 2.773 8.492 -0.161 222 HA LEU 36 HA LEU 36 0.874 8.851 -2.239 223 HB2 LEU 36 HB2 LEU 36 0.416 8.509 0.727 224 HB3 LEU 36 HB1 LEU 36 -0.801 8.329 -0.523 225 HG LEU 36 HG LEU 36 1.050 6.534 -1.376 226 HD11 LEU 36 HD11 LEU 36 2.584 6.428 0.297 227 HD12 LEU 36 HD12 LEU 36 1.412 5.271 0.928 228 HD13 LEU 36 HD13 LEU 36 1.433 6.925 1.538 229 HD21 LEU 36 HD21 LEU 36 -1.440 6.421 0.197 230 HD22 LEU 36 HD22 LEU 36 -0.462 4.953 0.190 231 HD23 LEU 36 HD23 LEU 36 -1.023 5.647 -1.331 232 H THR 37 HN THR 37 -0.456 10.523 -2.707 233 HA THR 37 HA THR 37 0.169 13.109 -1.812 234 HB THR 37 HB THR 37 -1.846 13.822 -3.031 235 HG1 THR 37 HG1 THR 37 -3.301 12.385 -3.765 236 HG21 THR 37 HG21 THR 37 -0.549 13.660 -4.814 237 HG22 THR 37 HG22 THR 37 -1.264 12.073 -5.102 238 HG23 THR 37 HG23 THR 37 0.239 12.211 -4.191 239 HA PRO 38 HA PRO 38 -2.020 13.934 1.907 240 HB2 PRO 38 HB2 PRO 38 -3.540 16.054 0.463 241 HB3 PRO 38 HB1 PRO 38 -2.609 16.159 1.962 242 HG2 PRO 38 HG2 PRO 38 -1.633 17.142 -0.310 243 HG3 PRO 38 HG1 PRO 38 -0.580 16.306 0.847 244 HD2 PRO 38 HD2 PRO 38 -1.686 15.342 -1.752 245 HD3 PRO 38 HD1 PRO 38 -0.109 15.016 -1.004 246 H GLY 39 HN GLY 39 -3.494 12.492 2.557 247 HA2 GLY 39 HA2 GLY 39 -5.876 12.145 2.931 248 HA3 GLY 39 HA1 GLY 39 -6.135 12.534 1.237 249 H SER 40 HN SER 40 -3.742 10.900 0.482 250 HA SER 40 HA SER 40 -5.115 8.316 0.511 251 HB2 SER 40 HB2 SER 40 -3.337 7.797 -1.295 252 HB3 SER 40 HB1 SER 40 -4.634 8.918 -1.708 253 HG SER 40 HG SER 40 -2.144 9.797 -0.698 254 H GLN 41 HN GLN 41 -4.417 6.720 1.757 255 HA GLN 41 HA GLN 41 -1.706 6.906 2.886 256 HB2 GLN 41 HB2 GLN 41 -4.237 5.646 3.931 257 HB3 GLN 41 HB1 GLN 41 -2.659 5.292 4.621 258 HG2 GLN 41 HG2 GLN 41 -3.334 8.145 4.343 259 HG3 GLN 41 HG1 GLN 41 -4.284 7.230 5.513 260 HE21 GLN 41 HE21 GLN 41 -0.961 7.922 4.531 261 HE22 GLN 41 HE22 GLN 41 -0.281 7.816 6.116 262 H CYS 42 HN CYS 42 -3.896 4.916 1.065 263 HA CYS 42 HA CYS 42 -1.745 2.933 0.722 264 HB2 CYS 42 HB2 CYS 42 -3.985 2.363 2.110 265 HB3 CYS 42 HB1 CYS 42 -4.504 1.937 0.482 266 H ASN 43 HN ASN 43 -1.050 3.573 -1.247 267 HA ASN 43 HA ASN 43 -2.995 3.953 -3.397 268 HB2 ASN 43 HB2 ASN 43 -0.932 4.640 -4.707 269 HB3 ASN 43 HB1 ASN 43 -1.358 5.675 -3.347 270 HD21 ASN 43 HD21 ASN 43 1.132 5.807 -4.359 271 HD22 ASN 43 HD22 ASN 43 2.270 5.107 -3.264 272 H TYR 44 HN TYR 44 -1.434 1.417 -2.045 273 HA TYR 44 HA TYR 44 -2.016 -0.401 -4.065 274 HB2 TYR 44 HB2 TYR 44 -0.153 -0.659 -5.343 275 HB3 TYR 44 HB1 TYR 44 0.152 1.011 -4.881 276 HD1 TYR 44 HD2 TYR 44 0.921 -2.496 -3.962 277 HD2 TYR 44 HD1 TYR 44 2.094 1.581 -3.698 278 HE1 TYR 44 HE2 TYR 44 3.039 -3.184 -2.945 279 HE2 TYR 44 HE1 TYR 44 4.225 0.910 -2.679 280 HH TYR 44 HH TYR 44 5.564 -1.858 -2.866 281 H GLY 45 HN GLY 45 -2.096 -2.368 -3.146 282 HA2 GLY 45 HA2 GLY 45 -0.672 -3.935 -1.697 283 HA3 GLY 45 HA1 GLY 45 -0.830 -2.655 -0.504 284 H GLU 46 HN GLU 46 -1.657 -5.174 0.111 285 HA GLU 46 HA GLU 46 -4.302 -5.847 -0.453 286 HB2 GLU 46 HB2 GLU 46 -2.364 -6.492 1.710 287 HB3 GLU 46 HB1 GLU 46 -4.049 -6.931 1.955 288 HG2 GLU 46 HG2 GLU 46 -3.556 -8.813 0.884 289 HG3 GLU 46 HG1 GLU 46 -3.561 -7.838 -0.585 290 H CYS 47 HN CYS 47 -3.006 -3.946 2.259 291 HA CYS 47 HA CYS 47 -5.478 -3.619 3.581 292 HB2 CYS 47 HB2 CYS 47 -2.769 -2.489 3.783 293 HB3 CYS 47 HB1 CYS 47 -4.052 -1.478 4.429 294 H CYS 48 HN CYS 48 -4.303 -2.091 0.740 295 HA CYS 48 HA CYS 48 -5.521 0.429 1.067 296 HB2 CYS 48 HB2 CYS 48 -5.062 -0.866 -1.603 297 HB3 CYS 48 HB1 CYS 48 -4.987 0.842 -1.174 298 H ASP 49 HN ASP 49 -7.318 1.323 0.169 299 HA ASP 49 HA ASP 49 -9.308 0.025 -1.304 300 HB2 ASP 49 HB2 ASP 49 -11.030 -0.304 0.414 301 HB3 ASP 49 HB1 ASP 49 -9.625 -1.313 0.745 302 H GLN 50 HN GLN 50 -9.806 1.832 -2.396 303 HA GLN 50 HA GLN 50 -10.609 3.917 -2.850 304 HB2 GLN 50 HB2 GLN 50 -12.211 3.173 -0.903 305 HB3 GLN 50 HB1 GLN 50 -11.311 4.362 0.028 306 HG2 GLN 50 HG2 GLN 50 -12.808 5.823 -0.726 307 HG3 GLN 50 HG1 GLN 50 -11.910 5.753 -2.242 308 HE21 GLN 50 HE21 GLN 50 -12.587 3.731 -3.587 309 HE22 GLN 50 HE22 GLN 50 -14.292 3.538 -3.788 310 H CYS 51 HN CYS 51 -7.888 3.456 -2.100 311 HA CYS 51 HA CYS 51 -5.974 4.618 -1.761 312 HB2 CYS 51 HB2 CYS 51 -7.940 6.855 -2.064 313 HB3 CYS 51 HB1 CYS 51 -6.293 7.211 -1.554 314 H ARG 52 HN ARG 52 -7.706 3.665 0.488 315 HA ARG 52 HA ARG 52 -6.294 5.126 2.602 316 HB2 ARG 52 HB2 ARG 52 -8.755 5.859 2.319 317 HB3 ARG 52 HB1 ARG 52 -9.157 4.282 2.982 318 HG2 ARG 52 HG2 ARG 52 -8.542 4.853 5.069 319 HG3 ARG 52 HG1 ARG 52 -7.186 5.837 4.516 320 HD2 ARG 52 HD2 ARG 52 -9.064 7.434 3.662 321 HD3 ARG 52 HD1 ARG 52 -10.065 6.574 4.832 322 HE ARG 52 HE ARG 52 -7.584 7.537 5.918 323 HH11 ARG 52 HH11 ARG 52 -10.905 8.347 5.215 324 HH12 ARG 52 HH12 ARG 52 -10.987 9.591 6.417 325 HH21 ARG 52 HH21 ARG 52 -7.690 9.173 7.500 326 HH22 ARG 52 HH22 ARG 52 -9.162 10.060 7.714 327 H PHE 53 HN PHE 53 -5.912 3.872 4.519 328 HA PHE 53 HA PHE 53 -5.455 1.124 3.965 329 HB2 PHE 53 HB2 PHE 53 -5.223 2.722 6.515 330 HB3 PHE 53 HB1 PHE 53 -4.846 1.001 6.430 331 HD1 PHE 53 HD1 PHE 53 -3.634 1.037 3.656 332 HD2 PHE 53 HD2 PHE 53 -3.069 3.536 7.051 333 HE1 PHE 53 HE1 PHE 53 -1.380 1.552 2.887 334 HE2 PHE 53 HE2 PHE 53 -0.792 4.062 6.282 335 HZ PHE 53 HZ PHE 53 0.062 3.071 4.194 336 H LYS 54 HN LYS 54 -6.459 -0.680 4.640 337 HA LYS 54 HA LYS 54 -9.250 -0.523 5.109 338 HB2 LYS 54 HB2 LYS 54 -7.248 -2.627 4.749 339 HB3 LYS 54 HB1 LYS 54 -8.532 -3.083 5.858 340 HG2 LYS 54 HG2 LYS 54 -10.105 -3.138 4.234 341 HG3 LYS 54 HG1 LYS 54 -9.366 -1.822 3.322 342 HD2 LYS 54 HD2 LYS 54 -7.714 -3.275 2.409 343 HD3 LYS 54 HD1 LYS 54 -8.175 -4.582 3.501 344 HE2 LYS 54 HE2 LYS 54 -10.329 -3.524 1.792 345 HE3 LYS 54 HE1 LYS 54 -9.029 -4.364 0.946 346 HZ1 LYS 54 HZ1 LYS 54 -9.441 -6.107 2.845 347 HZ2 LYS 54 HZ2 LYS 54 -10.383 -6.105 1.440 348 HZ3 LYS 54 HZ3 LYS 54 -10.981 -5.408 2.860 349 H LYS 55 HN LYS 55 -10.197 0.050 6.955 350 HA LYS 55 HA LYS 55 -9.088 0.583 9.361 351 HB2 LYS 55 HB2 LYS 55 -11.448 1.026 8.782 352 HB3 LYS 55 HB1 LYS 55 -11.807 -0.684 8.978 353 HG2 LYS 55 HG2 LYS 55 -11.684 -0.594 11.256 354 HG3 LYS 55 HG1 LYS 55 -10.559 0.766 11.252 355 HD2 LYS 55 HD2 LYS 55 -12.734 1.913 10.123 356 HD3 LYS 55 HD1 LYS 55 -13.504 0.739 11.193 357 HE2 LYS 55 HE2 LYS 55 -11.412 2.733 12.053 358 HE3 LYS 55 HE1 LYS 55 -13.150 2.962 12.241 359 HZ1 LYS 55 HZ1 LYS 55 -11.895 2.071 14.227 360 HZ2 LYS 55 HZ2 LYS 55 -11.743 0.618 13.374 361 HZ3 LYS 55 HZ3 LYS 55 -13.278 1.210 13.769 362 H ALA 56 HN ALA 56 -8.005 -0.526 10.852 363 HA ALA 56 HA ALA 56 -7.190 -3.075 10.784 364 HB1 ALA 56 HB1 ALA 56 -7.341 -2.961 13.411 365 HB2 ALA 56 HB2 ALA 56 -7.740 -1.273 13.083 366 HB3 ALA 56 HB3 ALA 56 -6.213 -1.947 12.511 367 H GLY 57 HN GLY 57 -8.066 -5.033 10.848 368 HA2 GLY 57 HA2 GLY 57 -9.559 -6.577 12.074 369 HA3 GLY 57 HA1 GLY 57 -10.764 -5.295 12.041 370 H THR 58 HN THR 58 -9.435 -4.893 9.175 371 HA THR 58 HA THR 58 -11.511 -6.322 7.784 372 HB THR 58 HB THR 58 -9.209 -4.618 6.800 373 HG1 THR 58 HG1 THR 58 -10.516 -3.126 7.469 374 HG21 THR 58 HG21 THR 58 -9.714 -5.037 4.695 375 HG22 THR 58 HG22 THR 58 -11.437 -4.804 4.995 376 HG23 THR 58 HG23 THR 58 -10.701 -6.384 5.268 377 H VAL 59 HN VAL 59 -11.244 -8.488 7.602 378 HA VAL 59 HA VAL 59 -8.753 -9.793 7.551 379 HB VAL 59 HB VAL 59 -10.793 -10.972 8.216 380 HG11 VAL 59 HG11 VAL 59 -12.004 -9.777 6.127 381 HG12 VAL 59 HG12 VAL 59 -12.645 -11.198 6.953 382 HG13 VAL 59 HG13 VAL 59 -11.731 -11.385 5.457 383 HG21 VAL 59 HG21 VAL 59 -10.142 -13.016 7.438 384 HG22 VAL 59 HG22 VAL 59 -8.731 -12.065 6.973 385 HG23 VAL 59 HG23 VAL 59 -9.968 -12.452 5.776 386 H CYS 60 HN CYS 60 -7.312 -9.977 5.984 387 HA CYS 60 HA CYS 60 -8.217 -9.617 3.196 388 HB2 CYS 60 HB2 CYS 60 -5.355 -9.186 3.733 389 HB3 CYS 60 HB1 CYS 60 -6.469 -8.256 2.741 390 H ARG 61 HN ARG 61 -6.632 -11.683 5.421 391 HA ARG 61 HA ARG 61 -6.300 -13.698 3.365 392 HB2 ARG 61 HB2 ARG 61 -4.042 -12.240 4.550 393 HB3 ARG 61 HB1 ARG 61 -3.883 -13.989 4.625 394 HG2 ARG 61 HG2 ARG 61 -4.526 -13.875 2.103 395 HG3 ARG 61 HG1 ARG 61 -4.003 -12.195 2.247 396 HD2 ARG 61 HD2 ARG 61 -2.404 -14.699 2.699 397 HD3 ARG 61 HD1 ARG 61 -2.100 -13.401 1.546 398 HE ARG 61 HE ARG 61 -1.393 -13.453 4.344 399 HH11 ARG 61 HH11 ARG 61 -1.902 -11.452 1.530 400 HH12 ARG 61 HH12 ARG 61 -0.923 -10.154 2.127 401 HH21 ARG 61 HH21 ARG 61 -0.117 -11.753 5.130 402 HH22 ARG 61 HH22 ARG 61 0.092 -10.325 4.171 403 H ILE 62 HN ILE 62 -5.577 -15.807 4.328 404 HA ILE 62 HA ILE 62 -5.947 -16.166 7.167 405 HB ILE 62 HB ILE 62 -7.791 -17.774 5.428 406 HG12 ILE 62 HG12 ILE 62 -9.632 -16.208 6.230 407 HG13 ILE 62 HG11 ILE 62 -8.358 -15.064 6.632 408 HG21 ILE 62 HG21 ILE 62 -8.460 -17.032 8.200 409 HG22 ILE 62 HG22 ILE 62 -7.056 -18.079 7.989 410 HG23 ILE 62 HG23 ILE 62 -8.628 -18.575 7.362 411 HD11 ILE 62 HD11 ILE 62 -7.866 -15.873 4.001 412 HD12 ILE 62 HD12 ILE 62 -8.467 -14.313 4.561 413 HD13 ILE 62 HD13 ILE 62 -9.603 -15.587 4.114 414 H ALA 63 HN ALA 63 -4.533 -17.662 7.766 415 HA ALA 63 HA ALA 63 -2.785 -18.999 6.168 416 HB1 ALA 63 HB1 ALA 63 -3.419 -19.012 8.908 417 HB2 ALA 63 HB2 ALA 63 -1.959 -19.619 8.126 418 HB3 ALA 63 HB3 ALA 63 -3.328 -20.698 8.396 419 H ARG 64 HN ARG 64 -5.414 -20.779 7.780 420 HA ARG 64 HA ARG 64 -6.499 -21.943 5.487 421 HB2 ARG 64 HB2 ARG 64 -4.011 -22.939 5.763 422 HB3 ARG 64 HB1 ARG 64 -4.894 -24.080 6.767 423 HG2 ARG 64 HG2 ARG 64 -4.746 -24.973 4.561 424 HG3 ARG 64 HG1 ARG 64 -6.420 -24.496 4.851 425 HD2 ARG 64 HD2 ARG 64 -5.429 -22.218 3.784 426 HD3 ARG 64 HD1 ARG 64 -4.438 -23.419 2.957 427 HE ARG 64 HE ARG 64 -6.942 -24.390 2.666 428 HH11 ARG 64 HH11 ARG 64 -5.509 -21.273 2.023 429 HH12 ARG 64 HH12 ARG 64 -6.582 -20.911 0.713 430 HH21 ARG 64 HH21 ARG 64 -8.354 -23.915 0.943 431 HH22 ARG 64 HH22 ARG 64 -8.197 -22.410 0.100 432 H GLY 65 HN GLY 65 -8.062 -21.143 7.221 433 HA2 GLY 65 HA2 GLY 65 -9.766 -22.966 8.101 434 HA3 GLY 65 HA1 GLY 65 -8.529 -23.094 9.343 435 H ASP 66 HN ASP 66 -8.750 -21.852 11.068 436 HA ASP 66 HA ASP 66 -9.646 -19.168 10.987 437 HB2 ASP 66 HB2 ASP 66 -11.726 -19.566 12.397 438 HB3 ASP 66 HB1 ASP 66 -11.852 -19.993 10.693 439 H TRP 67 HN TRP 67 -7.640 -19.098 12.116 440 HA TRP 67 HA TRP 67 -7.853 -19.881 14.950 441 HB2 TRP 67 HB2 TRP 67 -5.132 -19.482 14.340 442 HB3 TRP 67 HB1 TRP 67 -5.934 -21.011 14.675 443 HD1 TRP 67 HD1 TRP 67 -5.180 -18.743 11.616 444 HE1 TRP 67 HE1 TRP 67 -4.875 -20.265 9.572 445 HE3 TRP 67 HE3 TRP 67 -6.226 -23.236 13.794 446 HZ2 TRP 67 HZ2 TRP 67 -5.049 -23.010 8.959 447 HZ3 TRP 67 HZ3 TRP 67 -6.134 -25.272 12.410 448 HH2 TRP 67 HH2 TRP 67 -5.556 -25.159 10.039 449 H ASN 68 HN ASN 68 -5.788 -17.769 13.014 450 HA ASN 68 HA ASN 68 -6.346 -15.579 14.902 451 HB2 ASN 68 HB2 ASN 68 -3.922 -15.604 13.136 452 HB3 ASN 68 HB1 ASN 68 -4.162 -14.799 14.683 453 HD21 ASN 68 HD21 ASN 68 -3.729 -17.940 13.157 454 HD22 ASN 68 HD22 ASN 68 -3.013 -18.711 14.528 455 H ASP 69 HN ASP 69 -6.007 -16.517 11.543 456 HA ASP 69 HA ASP 69 -6.746 -15.590 9.604 457 HB2 ASP 69 HB2 ASP 69 -8.511 -14.344 11.649 458 HB3 ASP 69 HB1 ASP 69 -8.514 -13.649 10.032 459 H ASP 70 HN ASP 70 -6.118 -14.007 8.195 460 HA ASP 70 HA ASP 70 -4.209 -12.101 9.179 461 HB2 ASP 70 HB2 ASP 70 -4.107 -13.388 6.949 462 HB3 ASP 70 HB1 ASP 70 -5.272 -12.208 6.373 463 H TYR 71 HN TYR 71 -4.498 -9.980 9.573 464 HA TYR 71 HA TYR 71 -6.957 -8.727 8.594 465 HB2 TYR 71 HB2 TYR 71 -6.117 -9.061 11.442 466 HB3 TYR 71 HB1 TYR 71 -7.079 -7.665 10.963 467 HD1 TYR 71 HD2 TYR 71 -9.235 -8.119 9.701 468 HD2 TYR 71 HD1 TYR 71 -7.159 -11.097 11.892 469 HE1 TYR 71 HE2 TYR 71 -11.290 -9.443 9.804 470 HE2 TYR 71 HE1 TYR 71 -9.197 -12.455 11.997 471 HH TYR 71 HH TYR 71 -11.311 -12.714 10.806 472 H CYS 72 HN CYS 72 -6.881 -6.619 8.173 473 HA CYS 72 HA CYS 72 -4.362 -5.364 7.800 474 HB2 CYS 72 HB2 CYS 72 -6.415 -4.987 6.407 475 HB3 CYS 72 HB1 CYS 72 -7.117 -4.112 7.762 476 H THR 73 HN THR 73 -3.804 -3.200 8.756 477 HA THR 73 HA THR 73 -4.680 -3.058 11.569 478 HB THR 73 HB THR 73 -2.492 -2.516 12.261 479 HG1 THR 73 HG1 THR 73 -1.724 -2.318 9.541 480 HG21 THR 73 HG21 THR 73 -1.482 -4.481 11.975 481 HG22 THR 73 HG22 THR 73 -1.484 -4.337 10.217 482 HG23 THR 73 HG23 THR 73 -2.924 -4.915 11.057 483 H GLY 74 HN GLY 74 -5.160 -1.509 8.811 484 HA2 GLY 74 HA2 GLY 74 -5.671 0.642 8.201 485 HA3 GLY 74 HA1 GLY 74 -6.100 0.852 9.891 486 H LYS 75 HN LYS 75 -2.828 0.023 9.110 487 HA LYS 75 HA LYS 75 -2.010 2.831 9.342 488 HB2 LYS 75 HB2 LYS 75 -0.628 0.630 10.869 489 HB3 LYS 75 HB1 LYS 75 -0.383 2.365 11.016 490 HG2 LYS 75 HG2 LYS 75 -3.068 2.032 11.577 491 HG3 LYS 75 HG1 LYS 75 -2.298 0.638 12.335 492 HD2 LYS 75 HD2 LYS 75 -1.520 3.526 12.739 493 HD3 LYS 75 HD1 LYS 75 -2.433 2.533 13.877 494 HE2 LYS 75 HE2 LYS 75 -0.360 2.252 14.763 495 HE3 LYS 75 HE1 LYS 75 -0.324 0.945 13.580 496 HZ1 LYS 75 HZ1 LYS 75 1.178 2.017 12.308 497 HZ2 LYS 75 HZ2 LYS 75 1.571 2.783 13.764 498 HZ3 LYS 75 HZ3 LYS 75 0.561 3.555 12.648 499 H SER 76 HN SER 76 -1.974 0.308 7.385 500 HA SER 76 HA SER 76 0.270 1.185 5.906 501 HB2 SER 76 HB2 SER 76 1.354 -0.129 7.810 502 HB3 SER 76 HB1 SER 76 0.645 -1.568 7.079 503 HG SER 76 HG SER 76 2.912 -0.675 6.460 504 H SER 77 HN SER 77 0.773 -0.422 4.079 505 HA SER 77 HA SER 77 -1.774 -1.284 2.956 506 HB2 SER 77 HB2 SER 77 -0.721 -1.226 0.863 507 HB3 SER 77 HB1 SER 77 0.067 0.085 1.739 508 HG SER 77 HG SER 77 1.716 -1.051 0.894 509 H ASP 78 HN ASP 78 0.083 -2.732 5.056 510 HA ASP 78 HA ASP 78 0.194 -5.316 3.655 511 HB2 ASP 78 HB2 ASP 78 1.764 -4.168 5.937 512 HB3 ASP 78 HB1 ASP 78 1.650 -5.913 5.732 513 H CYS 79 HN CYS 79 -0.805 -7.087 4.424 514 HA CYS 79 HA CYS 79 -2.570 -6.740 6.766 515 HB2 CYS 79 HB2 CYS 79 -2.971 -8.140 4.133 516 HB3 CYS 79 HB1 CYS 79 -3.883 -8.642 5.554 517 HA PRO 80 HA PRO 80 0.358 -10.021 8.051 518 HB2 PRO 80 HB2 PRO 80 -0.079 -9.722 10.711 519 HB3 PRO 80 HB1 PRO 80 1.007 -8.673 9.793 520 HG2 PRO 80 HG2 PRO 80 -1.833 -8.195 10.621 521 HG3 PRO 80 HG1 PRO 80 -0.445 -7.093 10.703 522 HD2 PRO 80 HD2 PRO 80 -2.274 -6.949 8.725 523 HD3 PRO 80 HD1 PRO 80 -0.560 -6.578 8.454 524 H TRP 81 HN TRP 81 -0.101 -12.118 8.209 525 HA TRP 81 HA TRP 81 -2.600 -13.274 8.140 526 HB2 TRP 81 HB2 TRP 81 -0.712 -14.917 9.665 527 HB3 TRP 81 HB1 TRP 81 -1.520 -15.255 8.143 528 HD1 TRP 81 HD1 TRP 81 1.671 -13.573 9.509 529 HE1 TRP 81 HE1 TRP 81 3.424 -13.560 7.622 530 HE3 TRP 81 HE3 TRP 81 -1.229 -15.351 5.729 531 HZ2 TRP 81 HZ2 TRP 81 3.546 -14.228 4.881 532 HZ3 TRP 81 HZ3 TRP 81 -0.231 -15.646 3.493 533 HH2 TRP 81 HH2 TRP 81 2.113 -15.092 3.080 534 H ASN 82 HN ASN 82 -0.839 -12.123 10.871 535 HA ASN 82 HA ASN 82 -1.587 -11.601 12.986 536 HB2 ASN 82 HB2 ASN 82 -3.959 -11.763 11.958 537 HB3 ASN 82 HB1 ASN 82 -3.983 -13.390 12.631 538 HD21 ASN 82 HD21 ASN 82 -4.683 -10.201 13.203 539 HD22 ASN 82 HD22 ASN 82 -4.824 -10.255 14.924 540 H HIS 83 HN HIS 83 0.014 -13.854 12.026 541 HA HIS 83 HA HIS 83 -0.498 -15.892 14.069 542 HB2 HIS 83 HB2 HIS 83 1.440 -15.961 11.743 543 HB3 HIS 83 HB1 HIS 83 1.024 -17.308 12.801 544 HD1 HIS 83 HD1 HIS 83 0.600 -17.191 9.644 545 HD2 HIS 83 HD2 HIS 83 -2.314 -16.622 12.550 546 HE1 HIS 83 HE1 HIS 83 -1.587 -17.698 8.513 547 HE2 HIS 83 HE2 HIS 83 -3.326 -17.444 10.317 Start of MODEL 43 1 H1 SER 1 HT1 SER 1 12.126 -4.277 -10.311 2 H2 SER 1 HT2 SER 1 12.238 -3.143 -9.028 3 H3 SER 1 HT3 SER 1 12.021 -4.809 -8.686 4 HA SER 1 HA SER 1 14.178 -4.801 -8.372 5 HB2 SER 1 HB2 SER 1 13.460 -5.605 -10.939 6 HB3 SER 1 HB1 SER 1 14.879 -4.591 -11.197 7 HG SER 1 HG SER 1 15.886 -5.897 -9.503 8 HA PRO 2 HA PRO 2 16.049 -0.870 -10.338 9 HB2 PRO 2 HB2 PRO 2 14.672 0.571 -12.125 10 HB3 PRO 2 HB1 PRO 2 15.535 -0.899 -12.594 11 HG2 PRO 2 HG2 PRO 2 12.619 -0.493 -12.081 12 HG3 PRO 2 HG1 PRO 2 13.412 -1.451 -13.343 13 HD2 PRO 2 HD2 PRO 2 12.366 -2.485 -11.006 14 HD3 PRO 2 HD1 PRO 2 13.619 -3.272 -11.984 15 HA PRO 3 HA PRO 3 13.561 1.689 -7.549 16 HB2 PRO 3 HB2 PRO 3 15.553 2.261 -5.826 17 HB3 PRO 3 HB1 PRO 3 14.712 0.709 -5.813 18 HG2 PRO 3 HG2 PRO 3 17.446 1.340 -6.668 19 HG3 PRO 3 HG1 PRO 3 16.741 -0.221 -6.227 20 HD2 PRO 3 HD2 PRO 3 17.189 0.883 -8.863 21 HD3 PRO 3 HD1 PRO 3 16.611 -0.736 -8.425 22 H VAL 4 HN VAL 4 13.312 3.350 -9.154 23 HA VAL 4 HA VAL 4 15.364 5.460 -8.978 24 HB VAL 4 HB VAL 4 14.210 6.193 -11.232 25 HG11 VAL 4 HG11 VAL 4 16.259 3.997 -10.986 26 HG12 VAL 4 HG12 VAL 4 16.558 5.734 -11.041 27 HG13 VAL 4 HG13 VAL 4 15.935 4.901 -12.465 28 HG21 VAL 4 HG21 VAL 4 12.577 4.247 -11.029 29 HG22 VAL 4 HG22 VAL 4 13.933 3.208 -11.469 30 HG23 VAL 4 HG23 VAL 4 13.379 4.456 -12.586 31 H CYS 5 HN CYS 5 14.649 6.984 -7.663 32 HA CYS 5 HA CYS 5 11.824 7.518 -7.351 33 HB2 CYS 5 HB2 CYS 5 14.172 7.961 -5.807 34 HB3 CYS 5 HB1 CYS 5 13.498 9.548 -6.157 35 H GLY 6 HN GLY 6 10.862 8.602 -8.956 36 HA2 GLY 6 HA2 GLY 6 10.459 10.779 -9.948 37 HA3 GLY 6 HA1 GLY 6 12.206 11.012 -9.995 38 H ASN 7 HN ASN 7 10.781 7.975 -10.769 39 HA ASN 7 HA ASN 7 11.256 8.394 -13.641 40 HB2 ASN 7 HB2 ASN 7 12.302 6.319 -11.781 41 HB3 ASN 7 HB1 ASN 7 11.763 5.754 -13.361 42 HD21 ASN 7 HD21 ASN 7 13.723 8.330 -11.913 43 HD22 ASN 7 HD22 ASN 7 14.955 8.308 -13.124 44 H LYS 8 HN LYS 8 8.981 8.101 -11.461 45 HA LYS 8 HA LYS 8 6.798 7.537 -11.541 46 HB2 LYS 8 HB2 LYS 8 7.265 7.856 -14.130 47 HB3 LYS 8 HB1 LYS 8 7.067 6.109 -14.150 48 HG2 LYS 8 HG2 LYS 8 4.843 6.254 -13.371 49 HG3 LYS 8 HG1 LYS 8 5.029 7.957 -12.946 50 HD2 LYS 8 HD2 LYS 8 4.716 8.658 -15.076 51 HD3 LYS 8 HD1 LYS 8 5.548 7.263 -15.767 52 HE2 LYS 8 HE2 LYS 8 3.465 5.945 -14.951 53 HE3 LYS 8 HE1 LYS 8 2.697 7.532 -14.900 54 HZ1 LYS 8 HZ1 LYS 8 3.711 6.039 -17.226 55 HZ2 LYS 8 HZ2 LYS 8 3.609 7.726 -17.291 56 HZ3 LYS 8 HZ3 LYS 8 2.217 6.805 -17.016 57 H ILE 9 HN ILE 9 9.187 5.719 -10.868 58 HA ILE 9 HA ILE 9 7.754 3.157 -10.925 59 HB ILE 9 HB ILE 9 10.373 3.710 -11.632 60 HG12 ILE 9 HG12 ILE 9 9.348 1.793 -12.505 61 HG13 ILE 9 HG11 ILE 9 10.621 1.157 -11.469 62 HG21 ILE 9 HG21 ILE 9 10.445 2.342 -8.960 63 HG22 ILE 9 HG22 ILE 9 11.014 3.979 -9.289 64 HG23 ILE 9 HG23 ILE 9 11.809 2.598 -10.045 65 HD11 ILE 9 HD11 ILE 9 7.683 1.021 -11.168 66 HD12 ILE 9 HD12 ILE 9 8.650 1.153 -9.699 67 HD13 ILE 9 HD13 ILE 9 8.922 -0.184 -10.816 68 H LEU 10 HN LEU 10 7.021 2.310 -9.084 69 HA LEU 10 HA LEU 10 7.597 3.709 -6.590 70 HB2 LEU 10 HB2 LEU 10 5.921 1.890 -5.727 71 HB3 LEU 10 HB1 LEU 10 5.330 3.279 -6.619 72 HG LEU 10 HG LEU 10 5.970 0.859 -8.209 73 HD11 LEU 10 HD11 LEU 10 4.874 -0.343 -6.563 74 HD12 LEU 10 HD12 LEU 10 3.561 0.095 -7.655 75 HD13 LEU 10 HD13 LEU 10 3.799 0.995 -6.157 76 HD21 LEU 10 HD21 LEU 10 3.410 2.299 -8.435 77 HD22 LEU 10 HD22 LEU 10 4.535 1.773 -9.688 78 HD23 LEU 10 HD23 LEU 10 4.857 3.248 -8.776 79 H GLU 11 HN GLU 11 9.866 2.792 -7.249 80 HA GLU 11 HA GLU 11 10.196 0.228 -5.828 81 HB2 GLU 11 HB2 GLU 11 10.585 -0.023 -8.251 82 HB3 GLU 11 HB1 GLU 11 11.821 1.224 -8.174 83 HG2 GLU 11 HG2 GLU 11 12.736 -1.062 -8.218 84 HG3 GLU 11 HG1 GLU 11 13.206 -0.151 -6.784 85 H GLN 12 HN GLN 12 11.776 3.292 -6.757 86 HA GLN 12 HA GLN 12 13.947 2.991 -4.944 87 HB2 GLN 12 HB2 GLN 12 13.599 4.658 -6.928 88 HB3 GLN 12 HB1 GLN 12 12.902 5.693 -5.693 89 HG2 GLN 12 HG2 GLN 12 15.695 4.582 -5.773 90 HG3 GLN 12 HG1 GLN 12 15.206 6.263 -5.969 91 HE21 GLN 12 HE21 GLN 12 15.427 3.602 -3.699 92 HE22 GLN 12 HE22 GLN 12 15.441 4.573 -2.270 93 H GLY 13 HN GLY 13 12.363 2.151 -3.197 94 HA2 GLY 13 HA2 GLY 13 11.135 2.462 -1.254 95 HA3 GLY 13 HA1 GLY 13 12.489 3.519 -0.908 96 H GLU 14 HN GLU 14 10.023 4.112 -3.352 97 HA GLU 14 HA GLU 14 9.338 6.572 -1.935 98 HB2 GLU 14 HB2 GLU 14 8.299 7.296 -4.054 99 HB3 GLU 14 HB1 GLU 14 9.996 6.897 -4.229 100 HG2 GLU 14 HG2 GLU 14 7.807 4.969 -4.921 101 HG3 GLU 14 HG1 GLU 14 8.455 6.133 -6.066 102 H ASP 15 HN ASP 15 7.736 3.809 -3.479 103 HA ASP 15 HA ASP 15 5.746 2.788 -3.041 104 HB2 ASP 15 HB2 ASP 15 5.388 4.657 -0.697 105 HB3 ASP 15 HB1 ASP 15 4.662 3.071 -0.935 106 H CYS 16 HN CYS 16 6.149 5.660 -4.275 107 HA CYS 16 HA CYS 16 3.827 5.966 -5.615 108 HB2 CYS 16 HB2 CYS 16 3.480 6.837 -2.856 109 HB3 CYS 16 HB1 CYS 16 3.103 8.105 -4.016 110 H ASP 17 HN ASP 17 5.488 6.605 -7.040 111 HA ASP 17 HA ASP 17 6.179 9.445 -6.767 112 HB2 ASP 17 HB2 ASP 17 8.178 8.227 -6.138 113 HB3 ASP 17 HB1 ASP 17 8.066 7.230 -7.585 114 H CYS 18 HN CYS 18 6.780 10.459 -8.788 115 HA CYS 18 HA CYS 18 5.531 9.183 -11.130 116 HB2 CYS 18 HB2 CYS 18 5.416 12.062 -10.227 117 HB3 CYS 18 HB1 CYS 18 4.979 11.548 -11.850 118 H GLY 19 HN GLY 19 6.574 9.448 -13.110 119 HA2 GLY 19 HA2 GLY 19 9.324 9.587 -13.190 120 HA3 GLY 19 HA1 GLY 19 8.290 9.917 -14.573 121 H SER 20 HN SER 20 7.023 12.227 -13.763 122 HA SER 20 HA SER 20 9.161 14.133 -13.154 123 HB2 SER 20 HB2 SER 20 7.288 14.949 -15.305 124 HB3 SER 20 HB1 SER 20 9.004 15.307 -15.106 125 HG SER 20 HG SER 20 9.280 13.819 -16.556 126 HA PRO 21 HA PRO 21 6.060 15.529 -10.229 127 HB2 PRO 21 HB2 PRO 21 7.577 18.067 -10.675 128 HB3 PRO 21 HB1 PRO 21 7.054 17.322 -9.160 129 HG2 PRO 21 HG2 PRO 21 9.586 17.136 -9.965 130 HG3 PRO 21 HG1 PRO 21 8.776 15.773 -9.171 131 HD2 PRO 21 HD2 PRO 21 9.501 16.140 -12.028 132 HD3 PRO 21 HD1 PRO 21 9.359 14.648 -11.077 133 H ALA 22 HN ALA 22 6.830 17.133 -13.258 134 HA ALA 22 HA ALA 22 4.444 18.771 -13.199 135 HB1 ALA 22 HB1 ALA 22 5.301 19.878 -15.003 136 HB2 ALA 22 HB2 ALA 22 6.035 18.427 -15.686 137 HB3 ALA 22 HB3 ALA 22 6.795 19.238 -14.317 138 H ASN 23 HN ASN 23 5.500 15.741 -14.546 139 HA ASN 23 HA ASN 23 2.954 15.476 -15.990 140 HB2 ASN 23 HB2 ASN 23 5.447 13.791 -16.302 141 HB3 ASN 23 HB1 ASN 23 4.009 13.746 -17.318 142 HD21 ASN 23 HD21 ASN 23 7.000 14.508 -17.589 143 HD22 ASN 23 HD22 ASN 23 6.939 15.961 -18.522 144 H CYS 24 HN CYS 24 3.560 15.093 -13.067 145 HA CYS 24 HA CYS 24 3.519 12.372 -12.418 146 HB2 CYS 24 HB2 CYS 24 4.075 14.165 -10.820 147 HB3 CYS 24 HB1 CYS 24 2.396 14.691 -10.844 148 H GLN 25 HN GLN 25 2.039 11.426 -13.861 149 HA GLN 25 HA GLN 25 -0.761 12.127 -13.703 150 HB2 GLN 25 HB2 GLN 25 -1.088 10.322 -15.327 151 HB3 GLN 25 HB1 GLN 25 0.194 11.412 -15.838 152 HG2 GLN 25 HG2 GLN 25 1.854 9.857 -15.448 153 HG3 GLN 25 HG1 GLN 25 0.861 8.925 -14.328 154 HE21 GLN 25 HE21 GLN 25 0.979 9.921 -17.727 155 HE22 GLN 25 HE22 GLN 25 0.373 8.434 -18.364 156 H ASP 26 HN ASP 26 -0.023 11.527 -11.194 157 HA ASP 26 HA ASP 26 -1.517 9.080 -10.671 158 HB2 ASP 26 HB2 ASP 26 1.199 8.959 -10.576 159 HB3 ASP 26 HB1 ASP 26 0.836 9.437 -8.921 160 H ARG 27 HN ARG 27 -3.205 10.217 -9.832 161 HA ARG 27 HA ARG 27 -2.978 12.430 -8.111 162 HB2 ARG 27 HB2 ARG 27 -5.345 12.201 -7.761 163 HB3 ARG 27 HB1 ARG 27 -4.987 11.862 -9.449 164 HG2 ARG 27 HG2 ARG 27 -6.344 10.106 -9.094 165 HG3 ARG 27 HG1 ARG 27 -4.874 9.371 -8.450 166 HD2 ARG 27 HD2 ARG 27 -6.527 8.974 -6.827 167 HD3 ARG 27 HD1 ARG 27 -5.571 10.315 -6.198 168 HE ARG 27 HE ARG 27 -7.421 11.653 -6.341 169 HH11 ARG 27 HH11 ARG 27 -7.960 8.783 -8.253 170 HH12 ARG 27 HH12 ARG 27 -9.624 9.150 -8.561 171 HH21 ARG 27 HH21 ARG 27 -9.609 12.136 -6.745 172 HH22 ARG 27 HH22 ARG 27 -10.561 11.053 -7.705 173 H CYS 28 HN CYS 28 -2.479 9.119 -7.499 174 HA CYS 28 HA CYS 28 -2.906 9.524 -4.619 175 HB2 CYS 28 HB2 CYS 28 -2.923 7.053 -6.331 176 HB3 CYS 28 HB1 CYS 28 -2.696 6.949 -4.588 177 H CYS 29 HN CYS 29 -0.481 9.636 -6.846 178 HA CYS 29 HA CYS 29 1.536 9.044 -4.798 179 HB2 CYS 29 HB2 CYS 29 1.699 8.160 -7.686 180 HB3 CYS 29 HB1 CYS 29 2.987 8.005 -6.503 181 H ASN 30 HN ASN 30 2.996 10.644 -4.581 182 HA ASN 30 HA ASN 30 3.116 12.674 -6.718 183 HB2 ASN 30 HB2 ASN 30 2.195 13.603 -4.686 184 HB3 ASN 30 HB1 ASN 30 3.540 12.979 -3.741 185 HD21 ASN 30 HD21 ASN 30 4.587 14.712 -3.044 186 HD22 ASN 30 HD22 ASN 30 5.148 16.012 -4.032 187 H ALA 31 HN ALA 31 4.983 13.134 -7.662 188 HA ALA 31 HA ALA 31 7.287 11.512 -7.181 189 HB1 ALA 31 HB1 ALA 31 6.533 13.649 -9.102 190 HB2 ALA 31 HB2 ALA 31 7.159 12.032 -9.402 191 HB3 ALA 31 HB3 ALA 31 8.248 13.310 -8.876 192 H ALA 32 HN ALA 32 6.467 14.904 -6.664 193 HA ALA 32 HA ALA 32 8.933 15.870 -5.832 194 HB1 ALA 32 HB1 ALA 32 6.334 16.850 -6.014 195 HB2 ALA 32 HB2 ALA 32 7.789 17.759 -5.605 196 HB3 ALA 32 HB3 ALA 32 6.789 17.073 -4.325 197 H THR 33 HN THR 33 6.905 13.626 -4.240 198 HA THR 33 HA THR 33 8.411 14.020 -1.737 199 HB THR 33 HB THR 33 5.944 14.523 -1.607 200 HG1 THR 33 HG1 THR 33 6.422 14.018 0.363 201 HG21 THR 33 HG21 THR 33 5.465 11.575 -1.685 202 HG22 THR 33 HG22 THR 33 5.367 12.538 -3.159 203 HG23 THR 33 HG23 THR 33 4.310 12.904 -1.795 204 H CYS 34 HN CYS 34 7.442 11.865 -4.244 205 HA CYS 34 HA CYS 34 7.949 9.705 -4.702 206 HB2 CYS 34 HB2 CYS 34 10.120 10.543 -2.863 207 HB3 CYS 34 HB1 CYS 34 9.879 8.806 -3.011 208 H LYS 35 HN LYS 35 5.787 10.236 -3.086 209 HA LYS 35 HA LYS 35 5.436 7.727 -1.773 210 HB2 LYS 35 HB2 LYS 35 5.709 8.226 0.403 211 HB3 LYS 35 HB1 LYS 35 6.662 9.579 -0.186 212 HG2 LYS 35 HG2 LYS 35 4.406 10.851 -0.192 213 HG3 LYS 35 HG1 LYS 35 3.873 9.557 0.884 214 HD2 LYS 35 HD2 LYS 35 6.262 10.220 1.995 215 HD3 LYS 35 HD1 LYS 35 5.730 11.783 1.373 216 HE2 LYS 35 HE2 LYS 35 3.991 9.996 3.060 217 HE3 LYS 35 HE1 LYS 35 5.035 11.246 3.737 218 HZ1 LYS 35 HZ1 LYS 35 3.770 12.920 2.825 219 HZ2 LYS 35 HZ2 LYS 35 2.579 11.785 3.218 220 HZ3 LYS 35 HZ3 LYS 35 3.110 11.933 1.619 221 H LEU 36 HN LEU 36 3.279 7.828 -0.439 222 HA LEU 36 HA LEU 36 1.196 8.244 -2.188 223 HB2 LEU 36 HB2 LEU 36 1.369 7.959 0.778 224 HB3 LEU 36 HB1 LEU 36 -0.173 8.376 0.058 225 HG LEU 36 HG LEU 36 1.386 5.969 -0.850 226 HD11 LEU 36 HD11 LEU 36 -0.676 6.083 1.346 227 HD12 LEU 36 HD12 LEU 36 1.046 5.763 1.558 228 HD13 LEU 36 HD13 LEU 36 0.040 4.621 0.667 229 HD21 LEU 36 HD21 LEU 36 -0.864 5.212 -1.527 230 HD22 LEU 36 HD22 LEU 36 -0.368 6.698 -2.336 231 HD23 LEU 36 HD23 LEU 36 -1.516 6.762 -1.001 232 H THR 37 HN THR 37 -0.334 9.818 -2.515 233 HA THR 37 HA THR 37 0.448 12.524 -1.743 234 HB THR 37 HB THR 37 -1.251 13.219 -3.419 235 HG1 THR 37 HG1 THR 37 -2.684 11.525 -3.323 236 HG21 THR 37 HG21 THR 37 0.334 13.110 -4.941 237 HG22 THR 37 HG22 THR 37 -0.022 11.404 -5.201 238 HG23 THR 37 HG23 THR 37 1.171 11.880 -3.993 239 HA PRO 38 HA PRO 38 -2.621 13.334 1.321 240 HB2 PRO 38 HB2 PRO 38 -4.040 15.431 0.087 241 HB3 PRO 38 HB1 PRO 38 -2.659 15.597 1.173 242 HG2 PRO 38 HG2 PRO 38 -2.751 15.657 -1.802 243 HG3 PRO 38 HG1 PRO 38 -1.701 16.553 -0.689 244 HD2 PRO 38 HD2 PRO 38 -0.779 14.467 -2.087 245 HD3 PRO 38 HD1 PRO 38 -0.251 14.757 -0.416 246 H GLY 39 HN GLY 39 -4.167 11.849 1.561 247 HA2 GLY 39 HA2 GLY 39 -6.560 11.431 1.271 248 HA3 GLY 39 HA1 GLY 39 -6.339 11.772 -0.441 249 H SER 40 HN SER 40 -3.939 10.304 -0.806 250 HA SER 40 HA SER 40 -5.058 7.644 -1.003 251 HB2 SER 40 HB2 SER 40 -2.986 7.134 -2.274 252 HB3 SER 40 HB1 SER 40 -3.837 8.538 -2.915 253 HG SER 40 HG SER 40 -1.756 8.811 -1.028 254 H GLN 41 HN GLN 41 -4.870 6.223 0.607 255 HA GLN 41 HA GLN 41 -2.529 6.434 2.379 256 HB2 GLN 41 HB2 GLN 41 -5.390 5.784 2.887 257 HB3 GLN 41 HB1 GLN 41 -4.173 5.022 3.902 258 HG2 GLN 41 HG2 GLN 41 -3.303 7.518 4.081 259 HG3 GLN 41 HG1 GLN 41 -4.994 7.861 3.724 260 HE21 GLN 41 HE21 GLN 41 -6.500 6.309 5.049 261 HE22 GLN 41 HE22 GLN 41 -6.156 6.262 6.741 262 H CYS 42 HN CYS 42 -3.072 4.742 -0.195 263 HA CYS 42 HA CYS 42 -1.731 2.405 0.839 264 HB2 CYS 42 HB2 CYS 42 -3.306 0.759 0.181 265 HB3 CYS 42 HB1 CYS 42 -4.151 1.921 1.189 266 H ASN 43 HN ASN 43 -3.436 3.558 -2.061 267 HA ASN 43 HA ASN 43 -2.806 3.752 -4.228 268 HB2 ASN 43 HB2 ASN 43 -0.820 4.895 -3.475 269 HB3 ASN 43 HB1 ASN 43 -0.036 3.369 -3.077 270 HD21 ASN 43 HD21 ASN 43 1.652 3.379 -4.427 271 HD22 ASN 43 HD22 ASN 43 1.539 3.468 -6.149 272 H TYR 44 HN TYR 44 -1.644 1.035 -2.399 273 HA TYR 44 HA TYR 44 -2.668 -0.915 -4.069 274 HB2 TYR 44 HB2 TYR 44 -0.938 -1.685 -5.419 275 HB3 TYR 44 HB1 TYR 44 -0.708 0.055 -5.511 276 HD1 TYR 44 HD1 TYR 44 0.537 -3.037 -3.910 277 HD2 TYR 44 HD2 TYR 44 1.301 1.062 -4.752 278 HE1 TYR 44 HE1 TYR 44 2.853 -3.318 -3.140 279 HE2 TYR 44 HE2 TYR 44 3.622 0.792 -3.986 280 HH TYR 44 HH TYR 44 5.145 -2.019 -3.686 281 H GLY 45 HN GLY 45 -2.270 -3.052 -3.276 282 HA2 GLY 45 HA2 GLY 45 -0.687 -4.336 -1.751 283 HA3 GLY 45 HA1 GLY 45 -1.003 -3.041 -0.609 284 H GLU 46 HN GLU 46 -1.480 -5.502 0.276 285 HA GLU 46 HA GLU 46 -3.979 -6.638 -0.249 286 HB2 GLU 46 HB2 GLU 46 -2.050 -6.747 2.024 287 HB3 GLU 46 HB1 GLU 46 -3.663 -7.403 2.268 288 HG2 GLU 46 HG2 GLU 46 -2.775 -9.292 1.478 289 HG3 GLU 46 HG1 GLU 46 -2.999 -8.538 -0.100 290 H CYS 47 HN CYS 47 -3.028 -4.243 2.195 291 HA CYS 47 HA CYS 47 -5.714 -4.001 3.199 292 HB2 CYS 47 HB2 CYS 47 -3.068 -2.817 3.837 293 HB3 CYS 47 HB1 CYS 47 -4.481 -1.862 4.265 294 H CYS 48 HN CYS 48 -4.064 -2.712 0.530 295 HA CYS 48 HA CYS 48 -5.176 -0.130 0.450 296 HB2 CYS 48 HB2 CYS 48 -3.217 -0.860 -0.893 297 HB3 CYS 48 HB1 CYS 48 -4.294 -1.848 -1.874 298 H ASP 49 HN ASP 49 -7.035 0.652 -0.288 299 HA ASP 49 HA ASP 49 -8.787 -0.840 -2.012 300 HB2 ASP 49 HB2 ASP 49 -9.181 -1.569 0.477 301 HB3 ASP 49 HB1 ASP 49 -10.004 -0.017 0.604 302 H GLN 50 HN GLN 50 -9.025 0.770 -3.455 303 HA GLN 50 HA GLN 50 -9.663 2.752 -4.374 304 HB2 GLN 50 HB2 GLN 50 -11.072 3.243 -1.744 305 HB3 GLN 50 HB1 GLN 50 -11.404 4.037 -3.277 306 HG2 GLN 50 HG2 GLN 50 -11.753 1.468 -3.992 307 HG3 GLN 50 HG1 GLN 50 -12.225 1.390 -2.295 308 HE21 GLN 50 HE21 GLN 50 -14.331 1.525 -2.083 309 HE22 GLN 50 HE22 GLN 50 -15.390 2.542 -2.993 310 H CYS 51 HN CYS 51 -7.156 2.631 -3.191 311 HA CYS 51 HA CYS 51 -5.411 3.956 -2.606 312 HB2 CYS 51 HB2 CYS 51 -7.426 5.955 -3.511 313 HB3 CYS 51 HB1 CYS 51 -6.004 6.540 -2.653 314 H ARG 52 HN ARG 52 -7.402 2.997 -0.626 315 HA ARG 52 HA ARG 52 -6.475 4.633 1.603 316 HB2 ARG 52 HB2 ARG 52 -8.887 5.260 0.739 317 HB3 ARG 52 HB1 ARG 52 -9.351 3.813 1.625 318 HG2 ARG 52 HG2 ARG 52 -8.974 4.759 3.645 319 HG3 ARG 52 HG1 ARG 52 -7.645 5.758 3.054 320 HD2 ARG 52 HD2 ARG 52 -9.712 6.844 1.701 321 HD3 ARG 52 HD1 ARG 52 -10.537 6.315 3.166 322 HE ARG 52 HE ARG 52 -8.281 7.629 4.025 323 HH11 ARG 52 HH11 ARG 52 -11.070 8.432 2.087 324 HH12 ARG 52 HH12 ARG 52 -11.061 10.103 2.542 325 HH21 ARG 52 HH21 ARG 52 -8.267 9.826 4.624 326 HH22 ARG 52 HH22 ARG 52 -9.470 10.895 3.982 327 H PHE 53 HN PHE 53 -5.833 3.385 3.278 328 HA PHE 53 HA PHE 53 -5.702 0.607 3.056 329 HB2 PHE 53 HB2 PHE 53 -5.368 2.437 5.425 330 HB3 PHE 53 HB1 PHE 53 -5.204 0.690 5.578 331 HD1 PHE 53 HD1 PHE 53 -3.955 0.409 2.730 332 HD2 PHE 53 HD2 PHE 53 -3.098 2.863 6.098 333 HE1 PHE 53 HE1 PHE 53 -1.625 0.564 2.015 334 HE2 PHE 53 HE2 PHE 53 -0.748 3.021 5.385 335 HZ PHE 53 HZ PHE 53 -0.004 1.869 3.338 336 H LYS 54 HN LYS 54 -6.821 -1.072 3.900 337 HA LYS 54 HA LYS 54 -9.609 -0.660 4.352 338 HB2 LYS 54 HB2 LYS 54 -7.793 -2.924 4.014 339 HB3 LYS 54 HB1 LYS 54 -9.060 -3.245 5.190 340 HG2 LYS 54 HG2 LYS 54 -10.685 -3.278 3.626 341 HG3 LYS 54 HG1 LYS 54 -9.925 -2.018 2.652 342 HD2 LYS 54 HD2 LYS 54 -8.145 -3.837 2.144 343 HD3 LYS 54 HD1 LYS 54 -9.385 -4.964 2.693 344 HE2 LYS 54 HE2 LYS 54 -10.721 -3.260 0.957 345 HE3 LYS 54 HE1 LYS 54 -9.159 -3.531 0.186 346 HZ1 LYS 54 HZ1 LYS 54 -9.535 -5.929 0.428 347 HZ2 LYS 54 HZ2 LYS 54 -10.725 -5.193 -0.522 348 HZ3 LYS 54 HZ3 LYS 54 -11.067 -5.625 1.077 349 H LYS 55 HN LYS 55 -10.434 0.075 6.192 350 HA LYS 55 HA LYS 55 -9.247 0.651 8.530 351 HB2 LYS 55 HB2 LYS 55 -11.585 1.203 8.005 352 HB3 LYS 55 HB1 LYS 55 -12.041 -0.474 8.271 353 HG2 LYS 55 HG2 LYS 55 -11.424 -0.305 10.606 354 HG3 LYS 55 HG1 LYS 55 -10.867 1.351 10.359 355 HD2 LYS 55 HD2 LYS 55 -13.058 2.133 9.955 356 HD3 LYS 55 HD1 LYS 55 -13.688 0.495 9.764 357 HE2 LYS 55 HE2 LYS 55 -13.758 0.112 12.016 358 HE3 LYS 55 HE1 LYS 55 -12.416 1.205 12.353 359 HZ1 LYS 55 HZ1 LYS 55 -14.400 2.177 13.195 360 HZ2 LYS 55 HZ2 LYS 55 -15.220 1.952 11.733 361 HZ3 LYS 55 HZ3 LYS 55 -13.951 3.066 11.827 362 H ALA 56 HN ALA 56 -8.333 -0.371 10.187 363 HA ALA 56 HA ALA 56 -7.570 -2.949 10.254 364 HB1 ALA 56 HB1 ALA 56 -6.588 -1.746 11.933 365 HB2 ALA 56 HB2 ALA 56 -7.757 -2.687 12.861 366 HB3 ALA 56 HB3 ALA 56 -8.107 -1.008 12.443 367 H GLY 57 HN GLY 57 -8.376 -4.888 10.814 368 HA2 GLY 57 HA2 GLY 57 -10.021 -6.233 12.024 369 HA3 GLY 57 HA1 GLY 57 -11.197 -4.960 11.710 370 H THR 58 HN THR 58 -9.787 -4.813 8.940 371 HA THR 58 HA THR 58 -11.657 -6.550 7.611 372 HB THR 58 HB THR 58 -9.427 -4.815 6.510 373 HG1 THR 58 HG1 THR 58 -11.095 -3.631 7.509 374 HG21 THR 58 HG21 THR 58 -10.909 -6.798 5.199 375 HG22 THR 58 HG22 THR 58 -9.849 -5.573 4.491 376 HG23 THR 58 HG23 THR 58 -11.572 -5.244 4.687 377 H VAL 59 HN VAL 59 -11.276 -8.631 7.146 378 HA VAL 59 HA VAL 59 -8.670 -9.735 7.596 379 HB VAL 59 HB VAL 59 -10.699 -10.970 8.245 380 HG11 VAL 59 HG11 VAL 59 -12.354 -11.589 6.835 381 HG12 VAL 59 HG12 VAL 59 -11.256 -11.821 5.474 382 HG13 VAL 59 HG13 VAL 59 -11.778 -10.197 5.919 383 HG21 VAL 59 HG21 VAL 59 -8.790 -12.319 8.017 384 HG22 VAL 59 HG22 VAL 59 -8.840 -12.238 6.256 385 HG23 VAL 59 HG23 VAL 59 -10.056 -13.168 7.131 386 H CYS 60 HN CYS 60 -7.104 -9.952 6.163 387 HA CYS 60 HA CYS 60 -7.783 -9.791 3.299 388 HB2 CYS 60 HB2 CYS 60 -5.028 -9.460 4.464 389 HB3 CYS 60 HB1 CYS 60 -5.611 -8.947 2.885 390 H ARG 61 HN ARG 61 -6.384 -11.831 5.716 391 HA ARG 61 HA ARG 61 -6.108 -13.971 3.749 392 HB2 ARG 61 HB2 ARG 61 -3.867 -12.691 4.180 393 HB3 ARG 61 HB1 ARG 61 -3.864 -13.560 5.705 394 HG2 ARG 61 HG2 ARG 61 -3.615 -15.625 4.678 395 HG3 ARG 61 HG1 ARG 61 -4.176 -15.025 3.117 396 HD2 ARG 61 HD2 ARG 61 -1.719 -15.462 3.250 397 HD3 ARG 61 HD1 ARG 61 -2.145 -13.823 2.770 398 HE ARG 61 HE ARG 61 -1.020 -14.645 5.357 399 HH11 ARG 61 HH11 ARG 61 -2.007 -12.091 3.176 400 HH12 ARG 61 HH12 ARG 61 -1.163 -10.859 4.050 401 HH21 ARG 61 HH21 ARG 61 0.081 -13.017 6.496 402 HH22 ARG 61 HH22 ARG 61 0.018 -11.381 5.931 403 H ILE 62 HN ILE 62 -5.381 -16.058 5.025 404 HA ILE 62 HA ILE 62 -5.995 -16.333 7.742 405 HB ILE 62 HB ILE 62 -8.280 -15.888 7.184 406 HG12 ILE 62 HG12 ILE 62 -9.360 -18.005 7.869 407 HG13 ILE 62 HG11 ILE 62 -7.856 -18.861 7.545 408 HG21 ILE 62 HG21 ILE 62 -8.173 -16.345 4.793 409 HG22 ILE 62 HG22 ILE 62 -9.525 -17.197 5.539 410 HG23 ILE 62 HG23 ILE 62 -8.053 -18.073 5.122 411 HD11 ILE 62 HD11 ILE 62 -8.404 -16.828 9.683 412 HD12 ILE 62 HD12 ILE 62 -6.778 -17.367 9.261 413 HD13 ILE 62 HD13 ILE 62 -7.960 -18.524 9.873 414 H ALA 63 HN ALA 63 -5.163 -18.192 8.423 415 HA ALA 63 HA ALA 63 -3.825 -19.884 6.614 416 HB1 ALA 63 HB1 ALA 63 -3.828 -19.485 9.393 417 HB2 ALA 63 HB2 ALA 63 -2.700 -20.436 8.427 418 HB3 ALA 63 HB3 ALA 63 -4.130 -21.202 9.116 419 H ARG 64 HN ARG 64 -6.027 -21.254 9.022 420 HA ARG 64 HA ARG 64 -8.092 -22.122 7.438 421 HB2 ARG 64 HB2 ARG 64 -5.742 -23.417 6.609 422 HB3 ARG 64 HB1 ARG 64 -6.629 -24.617 7.533 423 HG2 ARG 64 HG2 ARG 64 -7.662 -25.022 5.596 424 HG3 ARG 64 HG1 ARG 64 -8.608 -23.587 5.996 425 HD2 ARG 64 HD2 ARG 64 -7.406 -22.235 4.545 426 HD3 ARG 64 HD1 ARG 64 -6.019 -23.323 4.523 427 HE ARG 64 HE ARG 64 -8.342 -23.442 2.840 428 HH11 ARG 64 HH11 ARG 64 -5.736 -25.295 4.239 429 HH12 ARG 64 HH12 ARG 64 -5.779 -26.516 3.013 430 HH21 ARG 64 HH21 ARG 64 -8.400 -25.047 1.226 431 HH22 ARG 64 HH22 ARG 64 -7.291 -26.376 1.301 432 H GLY 65 HN GLY 65 -8.855 -21.628 9.630 433 HA2 GLY 65 HA2 GLY 65 -9.800 -23.751 11.034 434 HA3 GLY 65 HA1 GLY 65 -8.217 -23.488 11.747 435 H ASP 66 HN ASP 66 -8.455 -20.552 11.265 436 HA ASP 66 HA ASP 66 -9.373 -18.663 12.192 437 HB2 ASP 66 HB2 ASP 66 -11.553 -20.339 12.280 438 HB3 ASP 66 HB1 ASP 66 -11.320 -19.941 13.979 439 H TRP 67 HN TRP 67 -7.284 -18.741 13.179 440 HA TRP 67 HA TRP 67 -7.369 -19.301 16.073 441 HB2 TRP 67 HB2 TRP 67 -4.676 -19.208 15.246 442 HB3 TRP 67 HB1 TRP 67 -5.590 -20.631 15.736 443 HD1 TRP 67 HD1 TRP 67 -4.956 -18.610 12.459 444 HE1 TRP 67 HE1 TRP 67 -4.975 -20.257 10.516 445 HE3 TRP 67 HE3 TRP 67 -6.057 -22.886 15.029 446 HZ2 TRP 67 HZ2 TRP 67 -5.363 -23.023 10.099 447 HZ3 TRP 67 HZ3 TRP 67 -6.225 -25.000 13.780 448 HH2 TRP 67 HH2 TRP 67 -5.886 -25.065 11.362 449 H ASN 68 HN ASN 68 -5.262 -17.555 13.852 450 HA ASN 68 HA ASN 68 -5.332 -15.222 15.638 451 HB2 ASN 68 HB2 ASN 68 -3.321 -15.651 13.448 452 HB3 ASN 68 HB1 ASN 68 -3.180 -14.657 14.896 453 HD21 ASN 68 HD21 ASN 68 -3.294 -17.963 13.712 454 HD22 ASN 68 HD22 ASN 68 -2.411 -18.662 15.023 455 H ASP 69 HN ASP 69 -5.593 -16.315 12.319 456 HA ASP 69 HA ASP 69 -6.576 -15.413 10.479 457 HB2 ASP 69 HB2 ASP 69 -7.826 -13.822 12.669 458 HB3 ASP 69 HB1 ASP 69 -8.053 -13.303 11.004 459 H ASP 70 HN ASP 70 -6.607 -13.480 9.096 460 HA ASP 70 HA ASP 70 -4.313 -11.745 9.692 461 HB2 ASP 70 HB2 ASP 70 -3.977 -13.241 7.752 462 HB3 ASP 70 HB1 ASP 70 -5.409 -12.557 7.001 463 H TYR 71 HN TYR 71 -4.795 -9.696 10.085 464 HA TYR 71 HA TYR 71 -7.202 -8.595 8.817 465 HB2 TYR 71 HB2 TYR 71 -6.478 -8.627 11.720 466 HB3 TYR 71 HB1 TYR 71 -7.548 -7.392 11.058 467 HD1 TYR 71 HD2 TYR 71 -9.561 -8.177 9.757 468 HD2 TYR 71 HD1 TYR 71 -7.337 -10.718 12.321 469 HE1 TYR 71 HE2 TYR 71 -11.484 -9.676 9.890 470 HE2 TYR 71 HE1 TYR 71 -9.239 -12.258 12.474 471 HH TYR 71 HH TYR 71 -11.685 -12.366 10.430 472 H CYS 72 HN CYS 72 -7.233 -6.512 8.306 473 HA CYS 72 HA CYS 72 -4.818 -5.159 7.817 474 HB2 CYS 72 HB2 CYS 72 -7.702 -4.623 7.541 475 HB3 CYS 72 HB1 CYS 72 -6.706 -3.185 7.740 476 H THR 73 HN THR 73 -4.225 -3.013 8.687 477 HA THR 73 HA THR 73 -4.916 -2.781 11.542 478 HB THR 73 HB THR 73 -2.676 -2.126 12.036 479 HG1 THR 73 HG1 THR 73 -1.254 -1.526 10.553 480 HG21 THR 73 HG21 THR 73 -1.850 -4.178 11.991 481 HG22 THR 73 HG22 THR 73 -1.722 -4.156 10.233 482 HG23 THR 73 HG23 THR 73 -3.235 -4.640 11.001 483 H GLY 74 HN GLY 74 -4.944 -1.236 8.527 484 HA2 GLY 74 HA2 GLY 74 -5.740 0.841 7.939 485 HA3 GLY 74 HA1 GLY 74 -6.089 1.128 9.636 486 H LYS 75 HN LYS 75 -2.873 0.227 9.243 487 HA LYS 75 HA LYS 75 -2.011 3.032 9.020 488 HB2 LYS 75 HB2 LYS 75 -0.587 1.099 10.819 489 HB3 LYS 75 HB1 LYS 75 -0.552 2.856 10.838 490 HG2 LYS 75 HG2 LYS 75 -2.046 2.803 12.469 491 HG3 LYS 75 HG1 LYS 75 -3.217 2.166 11.313 492 HD2 LYS 75 HD2 LYS 75 -2.528 -0.110 11.852 493 HD3 LYS 75 HD1 LYS 75 -1.321 0.512 12.980 494 HE2 LYS 75 HE2 LYS 75 -2.925 1.222 14.501 495 HE3 LYS 75 HE1 LYS 75 -4.203 1.253 13.288 496 HZ1 LYS 75 HZ1 LYS 75 -4.141 -0.645 15.011 497 HZ2 LYS 75 HZ2 LYS 75 -2.937 -1.301 14.021 498 HZ3 LYS 75 HZ3 LYS 75 -4.482 -1.016 13.396 499 H SER 76 HN SER 76 -2.034 0.452 7.286 500 HA SER 76 HA SER 76 0.296 1.017 5.831 501 HB2 SER 76 HB2 SER 76 0.509 -1.135 7.885 502 HB3 SER 76 HB1 SER 76 1.271 -1.412 6.319 503 HG SER 76 HG SER 76 2.662 0.180 6.691 504 H SER 77 HN SER 77 0.678 -0.603 4.081 505 HA SER 77 HA SER 77 -1.886 -1.558 3.106 506 HB2 SER 77 HB2 SER 77 0.182 -0.341 1.841 507 HB3 SER 77 HB1 SER 77 0.543 -2.030 1.485 508 HG SER 77 HG SER 77 -2.084 -1.126 1.139 509 H ASP 78 HN ASP 78 0.026 -2.895 5.223 510 HA ASP 78 HA ASP 78 0.101 -5.549 3.962 511 HB2 ASP 78 HB2 ASP 78 1.545 -4.679 6.470 512 HB3 ASP 78 HB1 ASP 78 1.796 -6.161 5.553 513 H CYS 79 HN CYS 79 -0.854 -7.292 4.911 514 HA CYS 79 HA CYS 79 -2.594 -6.735 7.229 515 HB2 CYS 79 HB2 CYS 79 -3.293 -7.586 4.639 516 HB3 CYS 79 HB1 CYS 79 -3.460 -9.006 5.666 517 HA PRO 80 HA PRO 80 0.241 -9.938 8.819 518 HB2 PRO 80 HB2 PRO 80 -0.326 -9.496 11.437 519 HB3 PRO 80 HB1 PRO 80 0.808 -8.498 10.520 520 HG2 PRO 80 HG2 PRO 80 -2.064 -7.972 11.188 521 HG3 PRO 80 HG1 PRO 80 -0.678 -6.867 11.262 522 HD2 PRO 80 HD2 PRO 80 -2.428 -6.848 9.206 523 HD3 PRO 80 HD1 PRO 80 -0.706 -6.478 8.986 524 H TRP 81 HN TRP 81 -0.300 -12.015 8.932 525 HA TRP 81 HA TRP 81 -3.041 -12.760 9.553 526 HB2 TRP 81 HB2 TRP 81 -2.475 -14.955 8.652 527 HB3 TRP 81 HB1 TRP 81 -2.115 -13.665 7.516 528 HD1 TRP 81 HD1 TRP 81 0.775 -13.295 9.510 529 HE1 TRP 81 HE1 TRP 81 2.725 -14.770 8.707 530 HE3 TRP 81 HE3 TRP 81 -1.849 -16.568 6.660 531 HZ2 TRP 81 HZ2 TRP 81 3.085 -17.042 7.057 532 HZ3 TRP 81 HZ3 TRP 81 -0.650 -18.378 5.490 533 HH2 TRP 81 HH2 TRP 81 1.773 -18.607 5.691 534 H ASN 82 HN ASN 82 -0.055 -12.704 11.063 535 HA ASN 82 HA ASN 82 0.711 -13.402 13.086 536 HB2 ASN 82 HB2 ASN 82 -2.259 -13.634 13.448 537 HB3 ASN 82 HB1 ASN 82 -1.166 -14.179 14.716 538 HD21 ASN 82 HD21 ASN 82 -3.110 -11.951 14.594 539 HD22 ASN 82 HD22 ASN 82 -2.209 -10.539 15.015 540 H HIS 83 HN HIS 83 1.929 -15.143 12.451 541 HA HIS 83 HA HIS 83 0.952 -17.724 13.255 542 HB2 HIS 83 HB2 HIS 83 1.399 -17.066 10.361 543 HB3 HIS 83 HB1 HIS 83 1.673 -18.702 10.954 544 HD1 HIS 83 HD1 HIS 83 -0.427 -19.976 11.890 545 HD2 HIS 83 HD2 HIS 83 -1.252 -16.345 10.048 546 HE1 HIS 83 HE1 HIS 83 -2.906 -19.973 11.490 547 HE2 HIS 83 HE2 HIS 83 -3.396 -17.732 10.450
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