NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
584827 | 2mhv | 19657 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 1.807 -0.001 0.855 2 HA ALA 1 HA ALA 1 1.670 0.749 -1.894 3 HB1 ALA 1 1HB ALA 1 3.585 1.365 -0.546 4 HB2 ALA 1 2HB ALA 1 3.971 -0.335 -0.274 5 HB3 ALA 1 3HB ALA 1 4.099 0.350 -1.894 6 H LYS 2 H LYS 2 0.267 -1.744 -1.042 7 HA LYS 2 HA LYS 2 1.634 -3.656 -2.819 8 HB2 LYS 2 2HB LYS 2 0.276 -3.963 -0.245 9 HB3 LYS 2 3HB LYS 2 -0.265 -5.117 -1.457 10 HG2 LYS 2 2HG LYS 2 2.657 -4.712 -1.059 11 HG3 LYS 2 3HG LYS 2 1.750 -5.661 0.121 12 HD2 LYS 2 2HD LYS 2 1.526 -6.210 -2.821 13 HD3 LYS 2 3HD LYS 2 2.842 -6.891 -1.862 14 HE2 LYS 2 2HE LYS 2 0.695 -7.481 -0.308 15 HE3 LYS 2 3HE LYS 2 -0.016 -7.576 -1.919 16 HZ1 LYS 2 3HZ LYS 2 2.433 -8.886 -2.023 17 HZ2 LYS 2 1HZ LYS 2 0.889 -9.570 -2.126 18 HZ3 LYS 2 2HZ LYS 2 1.656 -9.434 -0.625 19 H TYR 3 H TYR 3 0.740 -3.794 -4.760 20 HA TYR 3 HA TYR 3 -2.166 -3.372 -5.006 21 HB2 TYR 3 2HB TYR 3 0.058 -2.847 -6.983 22 HB3 TYR 3 3HB TYR 3 -1.650 -2.789 -7.402 23 HD1 TYR 3 HD2 TYR 3 -3.081 -1.257 -5.712 24 HD2 TYR 3 HD1 TYR 3 1.081 -0.843 -6.497 25 HE1 TYR 3 HE2 TYR 3 -3.183 1.090 -4.984 26 HE2 TYR 3 HE1 TYR 3 0.990 1.505 -5.770 27 HH TYR 3 HH TYR 3 -0.552 2.885 -4.192 28 H THR 4 H THR 4 -3.391 -4.945 -5.858 29 HA THR 4 HA THR 4 -2.029 -7.400 -6.722 30 HB THR 4 HB THR 4 -3.537 -7.725 -4.847 31 HG1 THR 4 HG1 THR 4 -4.804 -8.754 -7.178 32 HG21 THR 4 3HG2 THR 4 -5.721 -6.686 -6.656 33 HG22 THR 4 1HG2 THR 4 -5.029 -5.808 -5.293 34 HG23 THR 4 2HG2 THR 4 -5.924 -7.302 -5.016 35 H GLY 5 H GLY 5 -2.178 -8.104 -8.762 36 HA2 GLY 5 2HA GLY 5 -4.337 -7.059 -10.464 37 HA3 GLY 5 3HA GLY 5 -2.670 -6.898 -10.994 38 H LYS 6 H LYS 6 -4.633 -8.249 -12.466 39 HA LYS 6 HA LYS 6 -3.746 -11.049 -12.215 40 HB2 LYS 6 2HB LYS 6 -6.308 -10.023 -13.452 41 HB3 LYS 6 3HB LYS 6 -5.837 -11.710 -13.291 42 HG2 LYS 6 2HG LYS 6 -6.861 -11.771 -11.334 43 HG3 LYS 6 3HG LYS 6 -5.695 -10.600 -10.713 44 HD2 LYS 6 2HD LYS 6 -7.908 -9.748 -10.337 45 HD3 LYS 6 3HD LYS 6 -7.143 -8.780 -11.600 46 HE2 LYS 6 2HE LYS 6 -8.622 -11.089 -12.613 47 HE3 LYS 6 3HE LYS 6 -9.628 -9.926 -11.751 48 HZ1 LYS 6 3HZ LYS 6 -8.678 -9.747 -14.354 49 HZ2 LYS 6 1HZ LYS 6 -7.866 -8.556 -13.469 50 HZ3 LYS 6 2HZ LYS 6 -9.557 -8.586 -13.494 51 H CYS 7 H CYS 7 -2.998 -12.109 -14.014 52 HA CYS 7 HA CYS 7 -2.763 -10.513 -16.480 53 HB2 CYS 7 2HB CYS 7 -0.526 -11.118 -16.768 54 HB3 CYS 7 3HB CYS 7 -0.633 -10.811 -15.038 55 H THR 8 H THR 8 -2.285 -11.881 -18.422 56 HA THR 8 HA THR 8 -3.751 -14.432 -18.241 57 HB THR 8 HB THR 8 -3.765 -13.633 -20.926 58 HG1 THR 8 HG1 THR 8 -3.237 -11.501 -20.169 59 HG21 THR 8 3HG2 THR 8 -5.589 -14.814 -19.983 60 HG22 THR 8 1HG2 THR 8 -6.223 -13.232 -20.435 61 HG23 THR 8 2HG2 THR 8 -5.845 -13.582 -18.748 62 H LYS 9 H LYS 9 -3.051 -16.170 -19.549 63 HA LYS 9 HA LYS 9 -0.201 -16.304 -19.858 64 HB2 LYS 9 2HB LYS 9 -0.508 -18.606 -20.323 65 HB3 LYS 9 3HB LYS 9 -1.708 -18.200 -19.103 66 HG2 LYS 9 2HG LYS 9 -3.447 -18.131 -20.760 67 HG3 LYS 9 3HG LYS 9 -2.271 -18.360 -22.056 68 HD2 LYS 9 2HD LYS 9 -2.826 -20.341 -19.848 69 HD3 LYS 9 3HD LYS 9 -3.484 -20.435 -21.483 70 HE2 LYS 9 2HE LYS 9 -0.580 -20.566 -20.684 71 HE3 LYS 9 3HE LYS 9 -1.567 -21.887 -21.305 72 HZ1 LYS 9 3HZ LYS 9 -0.597 -19.496 -22.753 73 HZ2 LYS 9 1HZ LYS 9 -1.858 -20.453 -23.349 74 HZ3 LYS 9 2HZ LYS 9 -0.324 -21.125 -23.117 75 H SER 10 H SER 10 -2.886 -15.622 -21.912 76 HA SER 10 HA SER 10 -1.486 -16.201 -24.370 77 HB2 SER 10 2HB SER 10 -4.202 -15.538 -23.588 78 HB3 SER 10 3HB SER 10 -3.688 -14.591 -24.984 79 HG SER 10 HG SER 10 -3.165 -16.526 -26.036 80 H LYS 11 H LYS 11 -2.548 -13.290 -22.636 81 HA LYS 11 HA LYS 11 -1.106 -11.582 -24.494 82 HB2 LYS 11 2HB LYS 11 -2.580 -10.783 -21.981 83 HB3 LYS 11 3HB LYS 11 -2.089 -9.733 -23.304 84 HG2 LYS 11 2HG LYS 11 -3.623 -11.013 -24.795 85 HG3 LYS 11 3HG LYS 11 -4.198 -11.878 -23.368 86 HD2 LYS 11 2HD LYS 11 -5.172 -9.967 -22.453 87 HD3 LYS 11 3HD LYS 11 -4.209 -8.881 -23.458 88 HE2 LYS 11 2HE LYS 11 -5.935 -8.771 -24.855 89 HE3 LYS 11 3HE LYS 11 -5.645 -10.463 -25.254 90 HZ1 LYS 11 3HZ LYS 11 -7.059 -10.913 -23.172 91 HZ2 LYS 11 1HZ LYS 11 -7.843 -10.446 -24.597 92 HZ3 LYS 11 2HZ LYS 11 -7.591 -9.319 -23.362 93 H ASN 12 H ASN 12 -0.512 -13.214 -21.581 94 HA ASN 12 HA ASN 12 1.132 -13.110 -20.001 95 HB2 ASN 12 2HB ASN 12 2.277 -13.101 -22.557 96 HB3 ASN 12 3HB ASN 12 3.175 -11.887 -21.650 97 HD21 ASN 12 1HD2 ASN 12 4.725 -12.546 -20.326 98 HD22 ASN 12 2HD2 ASN 12 5.004 -14.182 -19.845 99 H GLU 13 H GLU 13 -0.571 -10.790 -20.149 100 HA GLU 13 HA GLU 13 1.290 -8.787 -19.057 101 HB2 GLU 13 2HB GLU 13 0.433 -8.108 -21.293 102 HB3 GLU 13 3HB GLU 13 -1.203 -8.178 -20.653 103 HG2 GLU 13 2HG GLU 13 -0.293 -6.509 -18.881 104 HG3 GLU 13 3HG GLU 13 0.973 -6.225 -20.074 105 H CYS 14 H CYS 14 0.736 -7.893 -17.141 106 HA CYS 14 HA CYS 14 -1.650 -8.964 -15.832 107 HB2 CYS 14 2HB CYS 14 0.781 -8.987 -14.862 108 HB3 CYS 14 3HB CYS 14 0.429 -7.316 -14.435 109 H LYS 15 H LYS 15 -2.857 -7.498 -14.362 110 HA LYS 15 HA LYS 15 -2.829 -4.684 -15.133 111 HB2 LYS 15 2HB LYS 15 -4.394 -5.723 -16.703 112 HB3 LYS 15 3HB LYS 15 -5.283 -6.437 -15.364 113 HG2 LYS 15 2HG LYS 15 -4.958 -3.506 -15.294 114 HG3 LYS 15 3HG LYS 15 -5.995 -4.154 -16.567 115 HD2 LYS 15 2HD LYS 15 -6.273 -4.849 -13.646 116 HD3 LYS 15 3HD LYS 15 -7.190 -3.572 -14.448 117 HE2 LYS 15 2HE LYS 15 -7.459 -5.846 -16.065 118 HE3 LYS 15 3HE LYS 15 -7.655 -6.411 -14.406 119 HZ1 LYS 15 3HZ LYS 15 -9.177 -4.265 -14.316 120 HZ2 LYS 15 1HZ LYS 15 -9.770 -5.769 -14.815 121 HZ3 LYS 15 2HZ LYS 15 -9.334 -4.608 -15.965 122 H TYR 16 H TYR 16 -2.950 -3.485 -13.361 123 HA TYR 16 HA TYR 16 -4.572 -4.421 -11.103 124 HB2 TYR 16 2HB TYR 16 -2.855 -3.965 -9.502 125 HB3 TYR 16 3HB TYR 16 -2.145 -4.995 -10.741 126 HD1 TYR 16 HD1 TYR 16 -0.609 -3.998 -12.435 127 HD2 TYR 16 HD2 TYR 16 -2.021 -1.778 -9.091 128 HE1 TYR 16 HE1 TYR 16 1.192 -2.357 -12.772 129 HE2 TYR 16 HE2 TYR 16 -0.225 -0.130 -9.419 130 HH TYR 16 HH TYR 16 1.303 0.455 -11.910 131 H LYS 17 H LYS 17 -4.980 -2.674 -9.504 132 HA LYS 17 HA LYS 17 -5.322 -0.114 -10.905 133 HB2 LYS 17 2HB LYS 17 -6.881 -1.567 -8.827 134 HB3 LYS 17 3HB LYS 17 -6.900 0.191 -8.773 135 HG2 LYS 17 2HG LYS 17 -7.806 0.318 -10.980 136 HG3 LYS 17 3HG LYS 17 -7.603 -1.419 -11.216 137 HD2 LYS 17 2HD LYS 17 -9.300 -1.927 -9.650 138 HD3 LYS 17 3HD LYS 17 -9.327 -0.274 -9.032 139 HE2 LYS 17 2HE LYS 17 -9.951 0.289 -11.528 140 HE3 LYS 17 3HE LYS 17 -10.485 -1.391 -11.540 141 HZ1 LYS 17 3HZ LYS 17 -12.254 -0.906 -10.296 142 HZ2 LYS 17 1HZ LYS 17 -11.959 0.711 -10.696 143 HZ3 LYS 17 2HZ LYS 17 -11.378 0.082 -9.238 144 H ASN 18 H ASN 18 -4.367 1.699 -10.196 145 HA ASN 18 HA ASN 18 -2.594 1.479 -7.886 146 HB2 ASN 18 2HB ASN 18 -2.585 3.999 -9.402 147 HB3 ASN 18 3HB ASN 18 -1.242 2.961 -8.932 148 HD21 ASN 18 1HD2 ASN 18 -3.479 3.795 -11.393 149 HD22 ASN 18 2HD2 ASN 18 -2.863 2.744 -12.618 150 H ASP 19 H ASP 19 -2.338 4.001 -6.997 151 HA ASP 19 HA ASP 19 -4.592 4.329 -5.326 152 HB2 ASP 19 2HB ASP 19 -2.123 5.033 -4.942 153 HB3 ASP 19 3HB ASP 19 -2.573 6.504 -5.799 154 H ALA 20 H ALA 20 -3.982 5.344 -8.499 155 HA ALA 20 HA ALA 20 -5.540 7.748 -8.469 156 HB1 ALA 20 1HB ALA 20 -5.353 7.640 -10.915 157 HB2 ALA 20 2HB ALA 20 -3.790 7.437 -10.123 158 HB3 ALA 20 3HB ALA 20 -4.634 6.035 -10.780 159 H GLY 21 H GLY 21 -6.275 4.420 -8.542 160 HA2 GLY 21 2HA GLY 21 -8.419 3.503 -8.336 161 HA3 GLY 21 3HA GLY 21 -9.101 5.037 -8.858 162 H LYS 22 H LYS 22 -6.892 4.712 -11.093 163 HA LYS 22 HA LYS 22 -8.739 3.550 -12.998 164 HB2 LYS 22 2HB LYS 22 -6.376 5.288 -13.098 165 HB3 LYS 22 3HB LYS 22 -6.450 4.117 -14.408 166 HG2 LYS 22 2HG LYS 22 -8.818 4.925 -14.809 167 HG3 LYS 22 3HG LYS 22 -8.438 6.258 -13.715 168 HD2 LYS 22 2HD LYS 22 -6.811 5.585 -16.162 169 HD3 LYS 22 3HD LYS 22 -8.125 6.764 -16.154 170 HE2 LYS 22 2HE LYS 22 -6.922 8.295 -14.993 171 HE3 LYS 22 3HE LYS 22 -6.068 7.071 -14.055 172 HZ1 LYS 22 3HZ LYS 22 -5.424 8.167 -16.700 173 HZ2 LYS 22 1HZ LYS 22 -4.960 6.580 -16.343 174 HZ3 LYS 22 2HZ LYS 22 -4.404 7.859 -15.386 175 H ASP 23 H ASP 23 -8.147 1.871 -14.486 176 HA ASP 23 HA ASP 23 -6.583 -0.212 -13.198 177 HB2 ASP 23 2HB ASP 23 -7.455 -1.606 -15.133 178 HB3 ASP 23 3HB ASP 23 -8.675 -0.961 -14.039 179 H THR 24 H THR 24 -4.498 -0.452 -13.609 180 HA THR 24 HA THR 24 -3.443 0.494 -16.189 181 HB THR 24 HB THR 24 -1.998 0.083 -13.565 182 HG1 THR 24 HG1 THR 24 -2.318 2.526 -14.958 183 HG21 THR 24 3HG2 THR 24 -0.548 -0.421 -15.468 184 HG22 THR 24 1HG2 THR 24 -0.066 1.089 -14.696 185 HG23 THR 24 2HG2 THR 24 -0.971 1.123 -16.209 186 H PHE 25 H PHE 25 -2.473 -0.890 -17.551 187 HA PHE 25 HA PHE 25 -2.095 -3.662 -16.627 188 HB2 PHE 25 2HB PHE 25 -2.323 -4.185 -19.141 189 HB3 PHE 25 3HB PHE 25 -3.783 -3.759 -18.254 190 HD1 PHE 25 HD1 PHE 25 -1.274 -2.552 -20.658 191 HD2 PHE 25 HD2 PHE 25 -5.008 -1.788 -18.763 192 HE1 PHE 25 HE1 PHE 25 -1.721 -0.750 -22.273 193 HE2 PHE 25 HE2 PHE 25 -5.461 0.014 -20.375 194 HZ PHE 25 HZ PHE 25 -3.817 0.535 -22.134 195 H ILE 26 H ILE 26 -0.112 -4.500 -16.722 196 HA ILE 26 HA ILE 26 1.888 -3.197 -18.442 197 HB ILE 26 HB ILE 26 2.156 -2.527 -16.040 198 HG12 ILE 26 2HG1 ILE 26 4.552 -4.162 -16.717 199 HG13 ILE 26 3HG1 ILE 26 4.029 -2.962 -17.893 200 HG21 ILE 26 1HG2 ILE 26 1.436 -4.624 -15.021 201 HG22 ILE 26 2HG2 ILE 26 2.855 -5.437 -15.678 202 HG23 ILE 26 3HG2 ILE 26 3.047 -4.170 -14.468 203 HD11 ILE 26 3HD1 ILE 26 5.163 -1.454 -16.745 204 HD12 ILE 26 1HD1 ILE 26 4.003 -1.651 -15.430 205 HD13 ILE 26 2HD1 ILE 26 5.485 -2.609 -15.451 206 H LYS 27 H LYS 27 3.427 -4.528 -19.361 207 HA LYS 27 HA LYS 27 2.686 -7.221 -19.806 208 HB2 LYS 27 2HB LYS 27 5.414 -6.056 -20.345 209 HB3 LYS 27 3HB LYS 27 4.612 -7.371 -21.194 210 HG2 LYS 27 2HG LYS 27 4.075 -5.827 -22.706 211 HG3 LYS 27 3HG LYS 27 2.856 -5.304 -21.541 212 HD2 LYS 27 2HD LYS 27 4.867 -3.908 -20.570 213 HD3 LYS 27 3HD LYS 27 5.498 -4.095 -22.208 214 HE2 LYS 27 2HE LYS 27 2.787 -3.385 -22.467 215 HE3 LYS 27 3HE LYS 27 3.464 -2.322 -21.234 216 HZ1 LYS 27 3HZ LYS 27 3.972 -2.403 -24.071 217 HZ2 LYS 27 1HZ LYS 27 5.372 -2.288 -23.129 218 HZ3 LYS 27 2HZ LYS 27 4.152 -1.127 -22.975 219 H CYS 28 H CYS 28 3.693 -9.147 -19.175 220 HA CYS 28 HA CYS 28 5.095 -8.961 -16.607 221 HB2 CYS 28 2HB CYS 28 3.176 -10.834 -17.787 222 HB3 CYS 28 3HB CYS 28 4.535 -11.631 -17.002 223 HA PRO 29 HA PRO 29 8.921 -10.473 -18.128 224 HB2 PRO 29 2HB PRO 29 9.697 -12.201 -16.183 225 HB3 PRO 29 3HB PRO 29 9.690 -10.447 -15.963 226 HG2 PRO 29 2HG PRO 29 7.671 -12.474 -15.082 227 HG3 PRO 29 3HG PRO 29 8.319 -11.082 -14.195 228 HD2 PRO 29 2HD PRO 29 5.902 -11.034 -15.414 229 HD3 PRO 29 3HD PRO 29 6.924 -9.591 -15.263 230 H LYS 30 H LYS 30 9.568 -11.948 -19.577 231 HA LYS 30 HA LYS 30 7.956 -14.341 -19.943 232 HB2 LYS 30 2HB LYS 30 8.861 -12.650 -21.765 233 HB3 LYS 30 3HB LYS 30 10.284 -13.680 -21.694 234 HG2 LYS 30 2HG LYS 30 9.081 -14.639 -23.401 235 HG3 LYS 30 3HG LYS 30 8.584 -15.614 -22.016 236 HD2 LYS 30 2HD LYS 30 6.602 -15.090 -23.199 237 HD3 LYS 30 3HD LYS 30 6.616 -14.041 -21.780 238 HE2 LYS 30 2HE LYS 30 7.982 -12.744 -23.931 239 HE3 LYS 30 3HE LYS 30 6.409 -13.304 -24.497 240 HZ1 LYS 30 3HZ LYS 30 6.657 -11.839 -21.949 241 HZ2 LYS 30 1HZ LYS 30 5.301 -12.016 -22.946 242 HZ3 LYS 30 2HZ LYS 30 6.571 -11.003 -23.417 243 H PHE 31 H PHE 31 10.312 -13.744 -17.919 244 HA PHE 31 HA PHE 31 12.189 -15.833 -18.515 245 HB2 PHE 31 2HB PHE 31 11.792 -13.865 -16.321 246 HB3 PHE 31 3HB PHE 31 12.709 -15.319 -15.942 247 HD1 PHE 31 HD1 PHE 31 14.736 -15.863 -17.344 248 HD2 PHE 31 HD2 PHE 31 12.773 -12.089 -17.480 249 HE1 PHE 31 HE1 PHE 31 16.748 -14.857 -18.340 250 HE2 PHE 31 HE2 PHE 31 14.781 -11.077 -18.478 251 HZ PHE 31 HZ PHE 31 16.772 -12.461 -18.910 252 H ASP 32 H ASP 32 12.405 -17.825 -17.518 253 HA ASP 32 HA ASP 32 10.054 -19.203 -16.874 254 HB2 ASP 32 2HB ASP 32 12.962 -19.798 -16.764 255 HB3 ASP 32 3HB ASP 32 11.904 -20.829 -15.805 256 H ASN 33 H ASN 33 12.059 -17.202 -14.959 257 HA ASN 33 HA ASN 33 11.519 -18.351 -12.414 258 HB2 ASN 33 2HB ASN 33 13.431 -16.843 -12.825 259 HB3 ASN 33 3HB ASN 33 12.311 -15.512 -13.101 260 HD21 ASN 33 1HD2 ASN 33 12.304 -18.078 -10.666 261 HD22 ASN 33 2HD2 ASN 33 12.350 -17.021 -9.301 262 H LYS 34 H LYS 34 9.876 -16.032 -14.448 263 HA LYS 34 HA LYS 34 7.500 -16.249 -12.825 264 HB2 LYS 34 2HB LYS 34 9.230 -13.879 -12.729 265 HB3 LYS 34 3HB LYS 34 7.547 -13.518 -13.089 266 HG2 LYS 34 2HG LYS 34 6.806 -14.254 -11.045 267 HG3 LYS 34 3HG LYS 34 8.188 -15.327 -10.810 268 HD2 LYS 34 2HD LYS 34 8.370 -12.317 -10.793 269 HD3 LYS 34 3HD LYS 34 8.177 -13.300 -9.340 270 HE2 LYS 34 2HE LYS 34 10.275 -14.549 -10.447 271 HE3 LYS 34 3HE LYS 34 10.531 -12.929 -11.093 272 HZ1 LYS 34 3HZ LYS 34 10.016 -13.334 -8.218 273 HZ2 LYS 34 1HZ LYS 34 10.789 -12.041 -8.988 274 HZ3 LYS 34 2HZ LYS 34 11.573 -13.533 -8.848 275 H LYS 35 H LYS 35 5.821 -16.387 -14.154 276 HA LYS 35 HA LYS 35 5.463 -14.674 -16.403 277 HB2 LYS 35 2HB LYS 35 5.600 -16.281 -18.182 278 HB3 LYS 35 3HB LYS 35 7.125 -16.305 -17.307 279 HG2 LYS 35 2HG LYS 35 6.704 -18.380 -16.369 280 HG3 LYS 35 3HG LYS 35 4.963 -18.254 -16.627 281 HD2 LYS 35 2HD LYS 35 5.179 -19.367 -18.538 282 HD3 LYS 35 3HD LYS 35 6.216 -18.083 -19.162 283 HE2 LYS 35 2HE LYS 35 8.105 -19.265 -18.812 284 HE3 LYS 35 3HE LYS 35 7.513 -19.962 -17.305 285 HZ1 LYS 35 3HZ LYS 35 7.390 -21.009 -19.992 286 HZ2 LYS 35 1HZ LYS 35 5.943 -21.154 -19.127 287 HZ3 LYS 35 2HZ LYS 35 7.368 -21.824 -18.510 288 H CYS 36 H CYS 36 3.532 -15.576 -17.785 289 HA CYS 36 HA CYS 36 1.486 -16.390 -15.852 290 HB2 CYS 36 2HB CYS 36 1.197 -15.188 -18.614 291 HB3 CYS 36 3HB CYS 36 -0.129 -15.548 -17.513 292 H THR 37 H THR 37 0.886 -18.442 -15.813 293 HA THR 37 HA THR 37 1.342 -20.118 -18.173 294 HB THR 37 HB THR 37 0.739 -21.992 -16.508 295 HG1 THR 37 HG1 THR 37 0.259 -21.347 -14.559 296 HG21 THR 37 3HG2 THR 37 3.044 -21.885 -15.485 297 HG22 THR 37 1HG2 THR 37 3.230 -20.311 -16.259 298 HG23 THR 37 2HG2 THR 37 2.991 -21.755 -17.243 299 H LYS 38 H LYS 38 -1.188 -18.915 -16.078 300 HA LYS 38 HA LYS 38 -3.176 -20.089 -17.903 301 HB2 LYS 38 2HB LYS 38 -2.844 -20.887 -15.290 302 HB3 LYS 38 3HB LYS 38 -4.117 -19.681 -15.158 303 HG2 LYS 38 2HG LYS 38 -5.546 -21.281 -15.711 304 HG3 LYS 38 3HG LYS 38 -4.863 -21.224 -17.337 305 HD2 LYS 38 2HD LYS 38 -3.570 -23.093 -17.006 306 HD3 LYS 38 3HD LYS 38 -3.476 -22.849 -15.260 307 HE2 LYS 38 2HE LYS 38 -6.060 -23.313 -15.388 308 HE3 LYS 38 3HE LYS 38 -5.624 -24.115 -16.896 309 HZ1 LYS 38 3HZ LYS 38 -3.804 -24.966 -14.989 310 HZ2 LYS 38 1HZ LYS 38 -5.047 -25.868 -15.698 311 HZ3 LYS 38 2HZ LYS 38 -5.322 -25.044 -14.247 312 H ASP 39 H ASP 39 -5.228 -18.923 -17.962 313 HA ASP 39 HA ASP 39 -4.798 -16.091 -18.062 314 HB2 ASP 39 2HB ASP 39 -7.130 -15.998 -18.876 315 HB3 ASP 39 3HB ASP 39 -6.165 -17.177 -19.760 316 H ASN 40 H ASN 40 -6.102 -14.493 -16.986 317 HA ASN 40 HA ASN 40 -7.020 -13.504 -15.155 318 HB2 ASN 40 2HB ASN 40 -8.694 -15.534 -15.690 319 HB3 ASN 40 3HB ASN 40 -8.147 -16.040 -14.094 320 HD21 ASN 40 1HD2 ASN 40 -8.079 -14.090 -12.504 321 HD22 ASN 40 2HD2 ASN 40 -9.520 -13.137 -12.472 322 H ASN 41 H ASN 41 -4.413 -15.051 -15.076 323 HA ASN 41 HA ASN 41 -4.016 -16.182 -12.550 324 HB2 ASN 41 2HB ASN 41 -2.420 -15.519 -14.799 325 HB3 ASN 41 3HB ASN 41 -1.638 -14.818 -13.386 326 HD21 ASN 41 1HD2 ASN 41 -0.873 -17.073 -15.116 327 HD22 ASN 41 2HD2 ASN 41 -0.661 -18.419 -14.053 328 H LYS 42 H LYS 42 -2.003 -14.927 -11.260 329 HA LYS 42 HA LYS 42 -2.984 -12.241 -10.602 330 HB2 LYS 42 2HB LYS 42 -3.460 -14.477 -9.009 331 HB3 LYS 42 3HB LYS 42 -2.090 -13.684 -8.243 332 HG2 LYS 42 2HG LYS 42 -3.918 -12.729 -7.193 333 HG3 LYS 42 3HG LYS 42 -3.498 -11.540 -8.428 334 HD2 LYS 42 2HD LYS 42 -5.876 -11.825 -8.446 335 HD3 LYS 42 3HD LYS 42 -5.223 -12.572 -9.907 336 HE2 LYS 42 2HE LYS 42 -6.179 -14.497 -9.352 337 HE3 LYS 42 3HE LYS 42 -5.250 -14.533 -7.855 338 HZ1 LYS 42 3HZ LYS 42 -7.893 -14.470 -7.911 339 HZ2 LYS 42 1HZ LYS 42 -7.592 -12.806 -7.885 340 HZ3 LYS 42 2HZ LYS 42 -6.990 -13.793 -6.651 341 H CYS 43 H CYS 43 -1.434 -10.802 -9.877 342 HA CYS 43 HA CYS 43 1.316 -11.773 -9.610 343 HB2 CYS 43 2HB CYS 43 2.203 -10.180 -11.150 344 HB3 CYS 43 3HB CYS 43 0.891 -11.012 -11.980 345 H THR 44 H THR 44 2.757 -9.732 -9.052 346 HA THR 44 HA THR 44 1.298 -7.979 -7.203 347 HB THR 44 HB THR 44 3.609 -8.370 -5.818 348 HG1 THR 44 HG1 THR 44 2.836 -10.953 -6.731 349 HG21 THR 44 3HG2 THR 44 0.842 -9.004 -5.539 350 HG22 THR 44 1HG2 THR 44 2.036 -8.706 -4.277 351 HG23 THR 44 2HG2 THR 44 1.794 -10.340 -4.894 352 H VAL 45 H VAL 45 2.182 -5.947 -6.902 353 HA VAL 45 HA VAL 45 4.723 -5.303 -8.175 354 HB VAL 45 HB VAL 45 2.179 -3.855 -8.924 355 HG11 VAL 45 1HG1 VAL 45 4.195 -2.431 -8.787 356 HG12 VAL 45 2HG1 VAL 45 4.989 -3.488 -9.957 357 HG13 VAL 45 3HG1 VAL 45 3.560 -2.566 -10.427 358 HG21 VAL 45 3HG2 VAL 45 2.090 -5.857 -10.121 359 HG22 VAL 45 1HG2 VAL 45 2.858 -4.734 -11.243 360 HG23 VAL 45 2HG2 VAL 45 3.837 -5.904 -10.357 361 H ASP 46 H ASP 46 5.839 -3.984 -6.903 362 HA ASP 46 HA ASP 46 4.360 -2.285 -5.002 363 HB2 ASP 46 2HB ASP 46 6.400 -4.252 -4.538 364 HB3 ASP 46 3HB ASP 46 6.999 -2.667 -4.056 365 H THR 47 H THR 47 4.787 -0.162 -4.998 366 HA THR 47 HA THR 47 6.591 0.876 -7.011 367 HB THR 47 HB THR 47 5.508 2.967 -5.390 368 HG1 THR 47 HG1 THR 47 3.875 1.626 -4.708 369 HG21 THR 47 3HG2 THR 47 4.918 1.979 -8.180 370 HG22 THR 47 1HG2 THR 47 6.035 3.261 -7.714 371 HG23 THR 47 2HG2 THR 47 4.297 3.490 -7.515 372 H TYR 48 H TYR 48 6.622 0.295 -3.628 373 HA TYR 48 HA TYR 48 8.609 2.261 -2.970 374 HB2 TYR 48 2HB TYR 48 6.848 1.071 -1.429 375 HB3 TYR 48 3HB TYR 48 8.094 -0.163 -1.286 376 HD1 TYR 48 HD2 TYR 48 7.384 3.430 -0.723 377 HD2 TYR 48 HD1 TYR 48 9.953 0.149 0.136 378 HE1 TYR 48 HE2 TYR 48 8.491 4.762 1.024 379 HE2 TYR 48 HE1 TYR 48 11.066 1.471 1.886 380 HH TYR 48 HH TYR 48 10.539 3.415 3.340 381 H ASN 49 H ASN 49 8.594 -1.224 -3.595 382 HA ASN 49 HA ASN 49 11.528 -1.233 -3.499 383 HB2 ASN 49 2HB ASN 49 9.718 -3.641 -3.709 384 HB3 ASN 49 3HB ASN 49 11.416 -3.605 -3.242 385 HD21 ASN 49 1HD2 ASN 49 9.170 -4.717 -1.809 386 HD22 ASN 49 2HD2 ASN 49 9.105 -3.903 -0.286 387 H ASN 50 H ASN 50 9.077 -0.881 -5.690 388 HA ASN 50 HA ASN 50 8.881 -1.093 -7.949 389 HB2 ASN 50 2HB ASN 50 10.992 0.329 -7.649 390 HB3 ASN 50 3HB ASN 50 11.894 -1.136 -8.027 391 HD21 ASN 50 1HD2 ASN 50 9.150 0.739 -9.270 392 HD22 ASN 50 2HD2 ASN 50 9.588 0.594 -10.935 393 H ALA 51 H ALA 51 9.069 -3.551 -6.358 394 HA ALA 51 HA ALA 51 10.358 -5.399 -8.234 395 HB1 ALA 51 1HB ALA 51 9.815 -7.097 -6.421 396 HB2 ALA 51 2HB ALA 51 11.015 -5.866 -6.025 397 HB3 ALA 51 3HB ALA 51 9.367 -5.719 -5.415 398 H VAL 52 H VAL 52 9.240 -7.083 -9.220 399 HA VAL 52 HA VAL 52 6.308 -7.027 -9.001 400 HB VAL 52 HB VAL 52 7.858 -7.144 -11.592 401 HG11 VAL 52 1HG1 VAL 52 5.374 -6.848 -12.426 402 HG12 VAL 52 2HG1 VAL 52 6.043 -8.446 -12.090 403 HG13 VAL 52 3HG1 VAL 52 5.009 -7.652 -10.900 404 HG21 VAL 52 3HG2 VAL 52 6.747 -4.954 -10.062 405 HG22 VAL 52 1HG2 VAL 52 7.785 -4.921 -11.489 406 HG23 VAL 52 2HG2 VAL 52 6.035 -5.048 -11.673 407 H ASP 53 H ASP 53 5.272 -8.984 -9.256 408 HA ASP 53 HA ASP 53 6.920 -11.341 -9.826 409 HB2 ASP 53 2HB ASP 53 5.654 -10.657 -7.267 410 HB3 ASP 53 3HB ASP 53 5.265 -12.275 -7.846 411 H CYS 54 H CYS 54 5.994 -12.403 -11.435 412 HA CYS 54 HA CYS 54 3.091 -12.194 -11.802 413 HB2 CYS 54 2HB CYS 54 4.926 -11.697 -13.633 414 HB3 CYS 54 3HB CYS 54 4.894 -13.446 -13.833 415 H ASP 55 H ASP 55 1.769 -13.934 -11.740 416 HA ASP 55 HA ASP 55 2.383 -16.180 -10.282 417 HB2 ASP 55 2HB ASP 55 0.162 -15.253 -11.825 418 HB3 ASP 55 3HB ASP 55 0.418 -16.959 -12.181 Start of MODEL 2 1 H1 ALA 1 H ALA 1 0.328 0.656 0.273 2 HA ALA 1 HA ALA 1 2.402 0.508 -0.742 3 HB1 ALA 1 1HB ALA 1 2.831 -1.930 0.914 4 HB2 ALA 1 2HB ALA 1 3.865 -0.518 0.694 5 HB3 ALA 1 3HB ALA 1 2.432 -0.410 1.716 6 H LYS 2 H LYS 2 0.426 -2.331 -0.915 7 HA LYS 2 HA LYS 2 2.032 -3.288 -3.194 8 HB2 LYS 2 2HB LYS 2 1.174 -5.553 -2.692 9 HB3 LYS 2 3HB LYS 2 2.136 -4.890 -1.378 10 HG2 LYS 2 2HG LYS 2 -0.560 -4.173 -0.906 11 HG3 LYS 2 3HG LYS 2 -0.521 -5.890 -1.315 12 HD2 LYS 2 2HD LYS 2 -0.081 -6.105 0.894 13 HD3 LYS 2 3HD LYS 2 1.571 -5.778 0.365 14 HE2 LYS 2 2HE LYS 2 1.544 -3.623 1.165 15 HE3 LYS 2 3HE LYS 2 -0.208 -3.483 1.033 16 HZ1 LYS 2 3HZ LYS 2 0.002 -5.394 2.871 17 HZ2 LYS 2 1HZ LYS 2 -0.098 -3.748 3.248 18 HZ3 LYS 2 2HZ LYS 2 1.408 -4.517 3.209 19 H TYR 3 H TYR 3 0.819 -4.351 -4.911 20 HA TYR 3 HA TYR 3 -2.001 -3.536 -5.055 21 HB2 TYR 3 2HB TYR 3 0.132 -3.075 -7.141 22 HB3 TYR 3 3HB TYR 3 -1.590 -2.979 -7.489 23 HD1 TYR 3 HD1 TYR 3 -2.960 -1.187 -6.487 24 HD2 TYR 3 HD2 TYR 3 1.260 -1.324 -5.956 25 HE1 TYR 3 HE1 TYR 3 -2.981 1.162 -5.758 26 HE2 TYR 3 HE2 TYR 3 1.250 1.024 -5.224 27 HH TYR 3 HH TYR 3 -1.426 2.638 -4.258 28 H THR 4 H THR 4 -3.343 -5.052 -5.824 29 HA THR 4 HA THR 4 -2.159 -7.580 -6.718 30 HB THR 4 HB THR 4 -5.039 -7.641 -6.372 31 HG1 THR 4 HG1 THR 4 -3.432 -6.568 -4.302 32 HG21 THR 4 3HG2 THR 4 -3.592 -9.616 -6.399 33 HG22 THR 4 1HG2 THR 4 -4.478 -9.501 -4.879 34 HG23 THR 4 2HG2 THR 4 -2.776 -9.043 -4.944 35 H GLY 5 H GLY 5 -2.195 -8.126 -8.795 36 HA2 GLY 5 2HA GLY 5 -4.363 -7.079 -10.493 37 HA3 GLY 5 3HA GLY 5 -2.691 -6.903 -11.004 38 H LYS 6 H LYS 6 -4.624 -8.229 -12.528 39 HA LYS 6 HA LYS 6 -3.738 -11.033 -12.316 40 HB2 LYS 6 2HB LYS 6 -6.282 -9.988 -13.572 41 HB3 LYS 6 3HB LYS 6 -5.812 -11.677 -13.432 42 HG2 LYS 6 2HG LYS 6 -6.623 -11.822 -11.371 43 HG3 LYS 6 3HG LYS 6 -5.796 -10.347 -10.863 44 HD2 LYS 6 2HD LYS 6 -7.910 -9.572 -10.655 45 HD3 LYS 6 3HD LYS 6 -7.743 -9.286 -12.389 46 HE2 LYS 6 2HE LYS 6 -8.858 -11.351 -12.893 47 HE3 LYS 6 3HE LYS 6 -8.872 -11.812 -11.192 48 HZ1 LYS 6 3HZ LYS 6 -10.267 -9.421 -12.262 49 HZ2 LYS 6 1HZ LYS 6 -10.399 -10.073 -10.706 50 HZ3 LYS 6 2HZ LYS 6 -11.014 -10.921 -12.033 51 H CYS 7 H CYS 7 -3.055 -12.093 -14.166 52 HA CYS 7 HA CYS 7 -2.704 -10.411 -16.559 53 HB2 CYS 7 2HB CYS 7 -0.508 -11.238 -16.888 54 HB3 CYS 7 3HB CYS 7 -0.599 -10.811 -15.183 55 H THR 8 H THR 8 -2.361 -11.668 -18.567 56 HA THR 8 HA THR 8 -3.971 -14.135 -18.517 57 HB THR 8 HB THR 8 -3.825 -13.221 -21.170 58 HG1 THR 8 HG1 THR 8 -4.743 -11.089 -19.553 59 HG21 THR 8 3HG2 THR 8 -5.707 -14.365 -19.978 60 HG22 THR 8 1HG2 THR 8 -6.203 -12.998 -20.975 61 HG23 THR 8 2HG2 THR 8 -6.095 -12.819 -19.224 62 H LYS 9 H LYS 9 -3.354 -15.886 -19.832 63 HA LYS 9 HA LYS 9 -0.517 -16.215 -20.088 64 HB2 LYS 9 2HB LYS 9 -0.972 -18.477 -20.604 65 HB3 LYS 9 3HB LYS 9 -2.185 -18.013 -19.418 66 HG2 LYS 9 2HG LYS 9 -3.594 -17.475 -21.582 67 HG3 LYS 9 3HG LYS 9 -2.491 -18.651 -22.301 68 HD2 LYS 9 2HD LYS 9 -4.147 -19.131 -19.824 69 HD3 LYS 9 3HD LYS 9 -4.584 -19.667 -21.448 70 HE2 LYS 9 2HE LYS 9 -1.880 -20.426 -20.619 71 HE3 LYS 9 3HE LYS 9 -3.158 -21.127 -19.628 72 HZ1 LYS 9 3HZ LYS 9 -3.288 -22.654 -21.227 73 HZ2 LYS 9 1HZ LYS 9 -2.405 -21.727 -22.333 74 HZ3 LYS 9 2HZ LYS 9 -4.068 -21.475 -22.156 75 H SER 10 H SER 10 -3.092 -15.277 -22.176 76 HA SER 10 HA SER 10 -1.691 -15.906 -24.622 77 HB2 SER 10 2HB SER 10 -3.666 -14.279 -25.454 78 HB3 SER 10 3HB SER 10 -3.923 -15.988 -25.101 79 HG SER 10 HG SER 10 -5.175 -15.423 -23.522 80 H LYS 11 H LYS 11 -2.549 -12.964 -22.827 81 HA LYS 11 HA LYS 11 -0.932 -11.334 -24.612 82 HB2 LYS 11 2HB LYS 11 -2.406 -10.478 -22.118 83 HB3 LYS 11 3HB LYS 11 -1.795 -9.440 -23.399 84 HG2 LYS 11 2HG LYS 11 -3.703 -9.622 -24.501 85 HG3 LYS 11 3HG LYS 11 -3.552 -11.380 -24.535 86 HD2 LYS 11 2HD LYS 11 -4.789 -11.647 -22.581 87 HD3 LYS 11 3HD LYS 11 -4.522 -9.978 -22.070 88 HE2 LYS 11 2HE LYS 11 -6.019 -10.511 -24.595 89 HE3 LYS 11 3HE LYS 11 -6.837 -10.733 -23.049 90 HZ1 LYS 11 3HZ LYS 11 -7.200 -8.561 -23.054 91 HZ2 LYS 11 1HZ LYS 11 -6.227 -8.326 -24.418 92 HZ3 LYS 11 2HZ LYS 11 -5.537 -8.309 -22.873 93 H ASN 12 H ASN 12 -0.542 -13.080 -21.733 94 HA ASN 12 HA ASN 12 1.067 -13.151 -20.116 95 HB2 ASN 12 2HB ASN 12 2.265 -13.237 -22.607 96 HB3 ASN 12 3HB ASN 12 3.191 -12.001 -21.761 97 HD21 ASN 12 1HD2 ASN 12 4.938 -12.791 -20.865 98 HD22 ASN 12 2HD2 ASN 12 5.098 -14.345 -20.126 99 H GLU 13 H GLU 13 -0.465 -10.741 -20.157 100 HA GLU 13 HA GLU 13 1.502 -8.915 -18.955 101 HB2 GLU 13 2HB GLU 13 0.523 -7.009 -19.945 102 HB3 GLU 13 3HB GLU 13 0.699 -8.172 -21.251 103 HG2 GLU 13 2HG GLU 13 -1.772 -8.794 -20.522 104 HG3 GLU 13 3HG GLU 13 -1.748 -7.124 -19.957 105 H CYS 14 H CYS 14 0.897 -7.946 -17.071 106 HA CYS 14 HA CYS 14 -1.570 -8.940 -15.857 107 HB2 CYS 14 2HB CYS 14 0.876 -8.939 -14.822 108 HB3 CYS 14 3HB CYS 14 0.411 -7.314 -14.329 109 H LYS 15 H LYS 15 -2.691 -7.378 -14.333 110 HA LYS 15 HA LYS 15 -2.634 -4.607 -15.255 111 HB2 LYS 15 2HB LYS 15 -5.019 -4.527 -15.652 112 HB3 LYS 15 3HB LYS 15 -4.305 -5.778 -16.660 113 HG2 LYS 15 2HG LYS 15 -6.021 -7.007 -15.906 114 HG3 LYS 15 3HG LYS 15 -4.986 -7.233 -14.494 115 HD2 LYS 15 2HD LYS 15 -6.179 -4.911 -13.834 116 HD3 LYS 15 3HD LYS 15 -7.456 -5.645 -14.808 117 HE2 LYS 15 2HE LYS 15 -6.620 -7.730 -13.227 118 HE3 LYS 15 3HE LYS 15 -6.484 -6.345 -12.144 119 HZ1 LYS 15 3HZ LYS 15 -8.650 -6.731 -11.803 120 HZ2 LYS 15 1HZ LYS 15 -8.844 -7.610 -13.235 121 HZ3 LYS 15 2HZ LYS 15 -8.876 -5.920 -13.270 122 H TYR 16 H TYR 16 -2.677 -3.286 -13.566 123 HA TYR 16 HA TYR 16 -4.047 -4.169 -11.115 124 HB2 TYR 16 2HB TYR 16 -2.227 -2.939 -9.849 125 HB3 TYR 16 3HB TYR 16 -1.737 -4.441 -10.624 126 HD1 TYR 16 HD1 TYR 16 -1.718 -0.750 -11.076 127 HD2 TYR 16 HD2 TYR 16 0.066 -4.470 -12.116 128 HE1 TYR 16 HE1 TYR 16 0.089 0.448 -12.238 129 HE2 TYR 16 HE2 TYR 16 1.878 -3.282 -13.280 130 HH TYR 16 HH TYR 16 2.855 -0.579 -12.890 131 H LYS 17 H LYS 17 -4.562 -2.346 -9.633 132 HA LYS 17 HA LYS 17 -5.474 -0.044 -11.205 133 HB2 LYS 17 2HB LYS 17 -6.610 -1.610 -9.066 134 HB3 LYS 17 3HB LYS 17 -6.552 0.087 -8.608 135 HG2 LYS 17 2HG LYS 17 -7.728 0.654 -10.705 136 HG3 LYS 17 3HG LYS 17 -7.859 -1.069 -11.062 137 HD2 LYS 17 2HD LYS 17 -8.876 0.064 -8.477 138 HD3 LYS 17 3HD LYS 17 -9.859 0.108 -9.943 139 HE2 LYS 17 2HE LYS 17 -8.827 -2.503 -9.746 140 HE3 LYS 17 3HE LYS 17 -9.390 -2.067 -8.134 141 HZ1 LYS 17 3HZ LYS 17 -11.023 -1.788 -10.596 142 HZ2 LYS 17 1HZ LYS 17 -11.543 -1.569 -9.001 143 HZ3 LYS 17 2HZ LYS 17 -11.110 -3.110 -9.545 144 H ASN 18 H ASN 18 -4.343 1.770 -11.088 145 HA ASN 18 HA ASN 18 -2.332 2.164 -9.080 146 HB2 ASN 18 2HB ASN 18 -1.866 4.264 -10.259 147 HB3 ASN 18 3HB ASN 18 -1.988 2.922 -11.393 148 HD21 ASN 18 1HD2 ASN 18 -2.212 5.081 -12.668 149 HD22 ASN 18 2HD2 ASN 18 -3.841 5.551 -13.003 150 H ASP 19 H ASP 19 -2.219 4.487 -8.096 151 HA ASP 19 HA ASP 19 -4.230 4.704 -6.174 152 HB2 ASP 19 2HB ASP 19 -3.144 6.682 -5.437 153 HB3 ASP 19 3HB ASP 19 -1.872 5.641 -6.069 154 H ALA 20 H ALA 20 -4.060 5.932 -9.393 155 HA ALA 20 HA ALA 20 -5.983 8.022 -9.085 156 HB1 ALA 20 1HB ALA 20 -5.485 6.705 -11.714 157 HB2 ALA 20 2HB ALA 20 -5.726 8.411 -11.336 158 HB3 ALA 20 3HB ALA 20 -4.192 7.631 -10.951 159 H GLY 21 H GLY 21 -6.212 4.645 -9.216 160 HA2 GLY 21 2HA GLY 21 -8.198 3.439 -8.851 161 HA3 GLY 21 3HA GLY 21 -9.119 4.834 -9.393 162 H LYS 22 H LYS 22 -7.111 4.893 -11.749 163 HA LYS 22 HA LYS 22 -8.793 3.475 -13.565 164 HB2 LYS 22 2HB LYS 22 -6.281 5.081 -13.802 165 HB3 LYS 22 3HB LYS 22 -6.783 4.077 -15.156 166 HG2 LYS 22 2HG LYS 22 -8.409 5.485 -15.742 167 HG3 LYS 22 3HG LYS 22 -8.938 5.714 -14.074 168 HD2 LYS 22 2HD LYS 22 -8.185 7.829 -14.775 169 HD3 LYS 22 3HD LYS 22 -6.871 7.179 -13.792 170 HE2 LYS 22 2HE LYS 22 -5.470 7.402 -15.498 171 HE3 LYS 22 3HE LYS 22 -6.477 6.339 -16.480 172 HZ1 LYS 22 3HZ LYS 22 -7.225 8.056 -17.652 173 HZ2 LYS 22 1HZ LYS 22 -6.010 8.989 -16.934 174 HZ3 LYS 22 2HZ LYS 22 -7.566 8.973 -16.271 175 H ASP 23 H ASP 23 -8.215 1.728 -14.936 176 HA ASP 23 HA ASP 23 -6.486 -0.208 -13.618 177 HB2 ASP 23 2HB ASP 23 -7.465 -1.829 -15.194 178 HB3 ASP 23 3HB ASP 23 -8.709 -0.944 -14.315 179 H THR 24 H THR 24 -4.439 -0.448 -14.185 180 HA THR 24 HA THR 24 -3.635 0.304 -16.920 181 HB THR 24 HB THR 24 -1.974 0.355 -14.392 182 HG1 THR 24 HG1 THR 24 -2.676 2.338 -14.272 183 HG21 THR 24 3HG2 THR 24 -0.471 1.682 -16.131 184 HG22 THR 24 1HG2 THR 24 -1.291 0.619 -17.275 185 HG23 THR 24 2HG2 THR 24 -0.352 -0.068 -15.949 186 H PHE 25 H PHE 25 -2.629 -1.167 -18.162 187 HA PHE 25 HA PHE 25 -2.009 -3.772 -16.935 188 HB2 PHE 25 2HB PHE 25 -2.292 -4.647 -19.306 189 HB3 PHE 25 3HB PHE 25 -3.758 -4.084 -18.509 190 HD1 PHE 25 HD1 PHE 25 -1.277 -3.351 -21.108 191 HD2 PHE 25 HD2 PHE 25 -4.935 -2.153 -19.292 192 HE1 PHE 25 HE1 PHE 25 -1.714 -1.835 -22.996 193 HE2 PHE 25 HE2 PHE 25 -5.379 -0.636 -21.178 194 HZ PHE 25 HZ PHE 25 -3.768 -0.476 -23.034 195 H ILE 26 H ILE 26 -0.054 -4.729 -17.300 196 HA ILE 26 HA ILE 26 1.844 -3.389 -19.087 197 HB ILE 26 HB ILE 26 2.173 -2.536 -16.752 198 HG12 ILE 26 2HG1 ILE 26 4.666 -4.006 -17.203 199 HG13 ILE 26 3HG1 ILE 26 4.025 -3.259 -18.663 200 HG21 ILE 26 1HG2 ILE 26 3.202 -4.024 -15.107 201 HG22 ILE 26 2HG2 ILE 26 1.588 -4.575 -15.552 202 HG23 ILE 26 3HG2 ILE 26 3.009 -5.383 -16.214 203 HD11 ILE 26 3HD1 ILE 26 5.645 -1.860 -17.401 204 HD12 ILE 26 1HD1 ILE 26 4.076 -1.100 -17.663 205 HD13 ILE 26 2HD1 ILE 26 4.473 -1.781 -16.085 206 H LYS 27 H LYS 27 3.416 -4.713 -19.965 207 HA LYS 27 HA LYS 27 2.782 -7.462 -20.186 208 HB2 LYS 27 2HB LYS 27 5.424 -6.219 -20.935 209 HB3 LYS 27 3HB LYS 27 4.649 -7.626 -21.651 210 HG2 LYS 27 2HG LYS 27 3.987 -6.214 -23.243 211 HG3 LYS 27 3HG LYS 27 2.780 -5.683 -22.069 212 HD2 LYS 27 2HD LYS 27 4.780 -4.134 -21.275 213 HD3 LYS 27 3HD LYS 27 5.296 -4.364 -22.947 214 HE2 LYS 27 2HE LYS 27 2.589 -3.825 -23.149 215 HE3 LYS 27 3HE LYS 27 3.139 -2.747 -21.867 216 HZ1 LYS 27 3HZ LYS 27 5.012 -2.185 -23.509 217 HZ2 LYS 27 1HZ LYS 27 3.480 -1.522 -23.780 218 HZ3 LYS 27 2HZ LYS 27 3.997 -2.854 -24.685 219 H CYS 28 H CYS 28 3.880 -9.287 -19.444 220 HA CYS 28 HA CYS 28 5.429 -8.836 -16.993 221 HB2 CYS 28 2HB CYS 28 3.618 -10.999 -17.949 222 HB3 CYS 28 3HB CYS 28 4.940 -11.458 -16.880 223 HA PRO 29 HA PRO 29 9.175 -10.433 -18.622 224 HB2 PRO 29 2HB PRO 29 10.113 -11.957 -16.581 225 HB3 PRO 29 3HB PRO 29 10.086 -10.190 -16.527 226 HG2 PRO 29 2HG PRO 29 8.171 -12.151 -15.324 227 HG3 PRO 29 3HG PRO 29 8.850 -10.672 -14.618 228 HD2 PRO 29 2HD PRO 29 6.355 -10.774 -15.667 229 HD3 PRO 29 3HD PRO 29 7.356 -9.309 -15.724 230 H LYS 30 H LYS 30 9.845 -12.069 -19.899 231 HA LYS 30 HA LYS 30 8.197 -14.452 -20.041 232 HB2 LYS 30 2HB LYS 30 10.205 -13.131 -21.794 233 HB3 LYS 30 3HB LYS 30 9.995 -14.868 -21.973 234 HG2 LYS 30 2HG LYS 30 7.679 -14.602 -22.503 235 HG3 LYS 30 3HG LYS 30 7.741 -12.880 -22.119 236 HD2 LYS 30 2HD LYS 30 9.455 -12.654 -23.958 237 HD3 LYS 30 3HD LYS 30 9.063 -14.314 -24.415 238 HE2 LYS 30 2HE LYS 30 6.594 -13.329 -24.343 239 HE3 LYS 30 3HE LYS 30 7.458 -11.830 -24.681 240 HZ1 LYS 30 3HZ LYS 30 6.813 -13.924 -26.449 241 HZ2 LYS 30 1HZ LYS 30 8.497 -13.775 -26.373 242 HZ3 LYS 30 2HZ LYS 30 7.548 -12.440 -26.793 243 H PHE 31 H PHE 31 10.505 -13.724 -18.013 244 HA PHE 31 HA PHE 31 12.349 -15.896 -18.339 245 HB2 PHE 31 2HB PHE 31 11.858 -13.835 -16.214 246 HB3 PHE 31 3HB PHE 31 12.910 -15.207 -15.883 247 HD1 PHE 31 HD2 PHE 31 14.520 -15.637 -18.116 248 HD2 PHE 31 HD1 PHE 31 13.021 -11.924 -16.671 249 HE1 PHE 31 HE2 PHE 31 16.392 -14.463 -19.199 250 HE2 PHE 31 HE1 PHE 31 14.890 -10.745 -17.753 251 HZ PHE 31 HZ PHE 31 16.579 -12.015 -19.018 252 H ASP 32 H ASP 32 12.485 -17.796 -17.160 253 HA ASP 32 HA ASP 32 10.072 -19.061 -16.493 254 HB2 ASP 32 2HB ASP 32 12.909 -19.737 -16.491 255 HB3 ASP 32 3HB ASP 32 12.034 -20.510 -15.172 256 H ASN 33 H ASN 33 12.051 -16.944 -14.695 257 HA ASN 33 HA ASN 33 11.463 -17.871 -12.078 258 HB2 ASN 33 2HB ASN 33 12.609 -15.387 -13.261 259 HB3 ASN 33 3HB ASN 33 12.006 -15.302 -11.608 260 HD21 ASN 33 1HD2 ASN 33 14.507 -16.365 -13.665 261 HD22 ASN 33 2HD2 ASN 33 15.504 -17.096 -12.458 262 H LYS 34 H LYS 34 9.843 -15.725 -14.319 263 HA LYS 34 HA LYS 34 7.423 -15.867 -12.758 264 HB2 LYS 34 2HB LYS 34 8.996 -13.326 -13.011 265 HB3 LYS 34 3HB LYS 34 7.241 -13.266 -12.915 266 HG2 LYS 34 2HG LYS 34 7.571 -13.174 -10.710 267 HG3 LYS 34 3HG LYS 34 7.843 -14.913 -10.835 268 HD2 LYS 34 2HD LYS 34 10.305 -14.140 -11.386 269 HD3 LYS 34 3HD LYS 34 9.805 -12.696 -10.502 270 HE2 LYS 34 2HE LYS 34 8.905 -14.597 -8.829 271 HE3 LYS 34 3HE LYS 34 10.272 -15.452 -9.543 272 HZ1 LYS 34 3HZ LYS 34 10.584 -12.713 -8.489 273 HZ2 LYS 34 1HZ LYS 34 11.768 -13.896 -8.737 274 HZ3 LYS 34 2HZ LYS 34 10.672 -14.051 -7.458 275 H LYS 35 H LYS 35 5.797 -16.102 -14.136 276 HA LYS 35 HA LYS 35 5.499 -14.508 -16.482 277 HB2 LYS 35 2HB LYS 35 5.671 -16.242 -18.158 278 HB3 LYS 35 3HB LYS 35 7.188 -16.140 -17.276 279 HG2 LYS 35 2HG LYS 35 6.848 -18.157 -16.196 280 HG3 LYS 35 3HG LYS 35 5.103 -18.117 -16.457 281 HD2 LYS 35 2HD LYS 35 5.339 -19.322 -18.309 282 HD3 LYS 35 3HD LYS 35 6.396 -18.084 -18.994 283 HE2 LYS 35 2HE LYS 35 7.544 -20.209 -18.969 284 HE3 LYS 35 3HE LYS 35 8.307 -19.111 -17.820 285 HZ1 LYS 35 3HZ LYS 35 7.180 -20.211 -16.023 286 HZ2 LYS 35 1HZ LYS 35 8.011 -21.367 -16.937 287 HZ3 LYS 35 2HZ LYS 35 6.334 -21.209 -17.096 288 H CYS 36 H CYS 36 3.598 -15.415 -17.849 289 HA CYS 36 HA CYS 36 1.514 -16.205 -15.948 290 HB2 CYS 36 2HB CYS 36 1.580 -14.225 -17.875 291 HB3 CYS 36 3HB CYS 36 0.641 -15.497 -18.648 292 H THR 37 H THR 37 0.933 -18.262 -15.886 293 HA THR 37 HA THR 37 1.436 -19.972 -18.210 294 HB THR 37 HB THR 37 2.350 -20.847 -16.166 295 HG1 THR 37 HG1 THR 37 1.670 -22.764 -16.732 296 HG21 THR 37 3HG2 THR 37 0.821 -21.442 -14.266 297 HG22 THR 37 1HG2 THR 37 -0.432 -20.485 -15.055 298 HG23 THR 37 2HG2 THR 37 1.055 -19.711 -14.506 299 H LYS 38 H LYS 38 -1.142 -18.716 -16.216 300 HA LYS 38 HA LYS 38 -3.084 -19.854 -18.101 301 HB2 LYS 38 2HB LYS 38 -2.791 -20.787 -15.514 302 HB3 LYS 38 3HB LYS 38 -4.114 -19.637 -15.376 303 HG2 LYS 38 2HG LYS 38 -5.456 -21.264 -16.059 304 HG3 LYS 38 3HG LYS 38 -4.720 -21.092 -17.654 305 HD2 LYS 38 2HD LYS 38 -2.963 -22.724 -16.914 306 HD3 LYS 38 3HD LYS 38 -3.922 -22.995 -15.457 307 HE2 LYS 38 2HE LYS 38 -5.011 -23.343 -18.242 308 HE3 LYS 38 3HE LYS 38 -4.267 -24.653 -17.327 309 HZ1 LYS 38 3HZ LYS 38 -6.044 -24.841 -15.986 310 HZ2 LYS 38 1HZ LYS 38 -6.868 -24.100 -17.264 311 HZ3 LYS 38 2HZ LYS 38 -6.348 -23.178 -15.945 312 H ASP 39 H ASP 39 -5.143 -18.706 -18.137 313 HA ASP 39 HA ASP 39 -4.747 -15.872 -18.056 314 HB2 ASP 39 2HB ASP 39 -7.163 -15.814 -18.792 315 HB3 ASP 39 3HB ASP 39 -6.083 -16.730 -19.839 316 H ASN 40 H ASN 40 -6.165 -14.363 -16.940 317 HA ASN 40 HA ASN 40 -7.132 -13.495 -15.073 318 HB2 ASN 40 2HB ASN 40 -8.701 -15.575 -15.675 319 HB3 ASN 40 3HB ASN 40 -8.101 -16.142 -14.119 320 HD21 ASN 40 1HD2 ASN 40 -8.281 -14.567 -12.314 321 HD22 ASN 40 2HD2 ASN 40 -9.702 -13.588 -12.247 322 H ASN 41 H ASN 41 -4.453 -14.978 -15.067 323 HA ASN 41 HA ASN 41 -3.997 -16.121 -12.557 324 HB2 ASN 41 2HB ASN 41 -2.451 -15.427 -14.819 325 HB3 ASN 41 3HB ASN 41 -1.672 -14.673 -13.431 326 HD21 ASN 41 1HD2 ASN 41 -1.095 -17.063 -15.223 327 HD22 ASN 41 2HD2 ASN 41 -0.721 -18.329 -14.108 328 H LYS 42 H LYS 42 -1.998 -14.827 -11.282 329 HA LYS 42 HA LYS 42 -3.026 -12.168 -10.592 330 HB2 LYS 42 2HB LYS 42 -3.381 -14.467 -8.999 331 HB3 LYS 42 3HB LYS 42 -2.119 -13.523 -8.219 332 HG2 LYS 42 2HG LYS 42 -4.117 -12.788 -7.255 333 HG3 LYS 42 3HG LYS 42 -3.689 -11.536 -8.424 334 HD2 LYS 42 2HD LYS 42 -6.040 -11.994 -8.614 335 HD3 LYS 42 3HD LYS 42 -5.228 -12.616 -10.053 336 HE2 LYS 42 2HE LYS 42 -5.587 -14.800 -9.478 337 HE3 LYS 42 3HE LYS 42 -5.596 -14.457 -7.749 338 HZ1 LYS 42 3HZ LYS 42 -7.791 -14.136 -7.755 339 HZ2 LYS 42 1HZ LYS 42 -7.788 -14.930 -9.249 340 HZ3 LYS 42 2HZ LYS 42 -7.771 -13.240 -9.189 341 H CYS 43 H CYS 43 -1.498 -10.750 -9.685 342 HA CYS 43 HA CYS 43 1.283 -11.685 -9.631 343 HB2 CYS 43 2HB CYS 43 0.662 -9.016 -10.839 344 HB3 CYS 43 3HB CYS 43 2.072 -10.044 -11.074 345 H THR 44 H THR 44 2.701 -9.700 -8.846 346 HA THR 44 HA THR 44 1.293 -8.244 -6.725 347 HB THR 44 HB THR 44 3.781 -8.940 -5.616 348 HG1 THR 44 HG1 THR 44 2.403 -11.268 -6.510 349 HG21 THR 44 3HG2 THR 44 2.500 -9.425 -3.823 350 HG22 THR 44 1HG2 THR 44 1.439 -10.492 -4.741 351 HG23 THR 44 2HG2 THR 44 1.199 -8.746 -4.800 352 H VAL 45 H VAL 45 2.097 -6.237 -6.283 353 HA VAL 45 HA VAL 45 4.639 -5.439 -7.497 354 HB VAL 45 HB VAL 45 2.050 -3.940 -7.919 355 HG11 VAL 45 1HG1 VAL 45 3.479 -2.469 -9.356 356 HG12 VAL 45 2HG1 VAL 45 3.812 -2.356 -7.626 357 HG13 VAL 45 3HG1 VAL 45 4.890 -3.278 -8.675 358 HG21 VAL 45 3HG2 VAL 45 2.780 -4.369 -10.375 359 HG22 VAL 45 1HG2 VAL 45 3.731 -5.680 -9.677 360 HG23 VAL 45 2HG2 VAL 45 1.979 -5.655 -9.473 361 H ASP 46 H ASP 46 5.829 -4.331 -6.097 362 HA ASP 46 HA ASP 46 4.493 -3.121 -3.774 363 HB2 ASP 46 2HB ASP 46 6.798 -4.783 -4.028 364 HB3 ASP 46 3HB ASP 46 7.318 -3.215 -3.418 365 H THR 47 H THR 47 4.617 -0.990 -3.401 366 HA THR 47 HA THR 47 5.816 0.687 -5.431 367 HB THR 47 HB THR 47 4.791 2.180 -3.189 368 HG1 THR 47 HG1 THR 47 2.852 1.277 -2.911 369 HG21 THR 47 3HG2 THR 47 3.199 2.979 -4.956 370 HG22 THR 47 1HG2 THR 47 3.931 1.812 -6.057 371 HG23 THR 47 2HG2 THR 47 4.903 3.122 -5.386 372 H TYR 48 H TYR 48 6.689 -0.545 -2.376 373 HA TYR 48 HA TYR 48 8.480 1.610 -1.676 374 HB2 TYR 48 2HB TYR 48 7.337 0.253 0.055 375 HB3 TYR 48 3HB TYR 48 8.239 -1.160 -0.483 376 HD1 TYR 48 HD2 TYR 48 9.270 2.372 0.175 377 HD2 TYR 48 HD1 TYR 48 9.760 -1.739 1.157 378 HE1 TYR 48 HE2 TYR 48 11.099 2.963 1.710 379 HE2 TYR 48 HE1 TYR 48 11.589 -1.159 2.696 380 HH TYR 48 HH TYR 48 13.296 0.873 2.843 381 H ASN 49 H ASN 49 8.742 -1.671 -2.972 382 HA ASN 49 HA ASN 49 11.619 -1.257 -3.385 383 HB2 ASN 49 2HB ASN 49 9.887 -3.683 -3.132 384 HB3 ASN 49 3HB ASN 49 11.386 -3.800 -4.049 385 HD21 ASN 49 1HD2 ASN 49 11.126 -5.338 -1.877 386 HD22 ASN 49 2HD2 ASN 49 12.124 -4.763 -0.590 387 H ASN 50 H ASN 50 8.749 -0.925 -5.002 388 HA ASN 50 HA ASN 50 8.129 -0.784 -7.191 389 HB2 ASN 50 2HB ASN 50 10.217 0.810 -6.905 390 HB3 ASN 50 3HB ASN 50 10.980 -0.355 -7.982 391 HD21 ASN 50 1HD2 ASN 50 9.598 2.517 -7.994 392 HD22 ASN 50 2HD2 ASN 50 8.843 2.519 -9.548 393 H ALA 51 H ALA 51 8.771 -3.411 -6.245 394 HA ALA 51 HA ALA 51 9.947 -4.669 -8.628 395 HB1 ALA 51 1HB ALA 51 10.031 -6.719 -7.145 396 HB2 ALA 51 2HB ALA 51 11.095 -5.385 -6.695 397 HB3 ALA 51 3HB ALA 51 9.594 -5.653 -5.809 398 H VAL 52 H VAL 52 8.877 -6.348 -9.694 399 HA VAL 52 HA VAL 52 6.032 -6.689 -9.009 400 HB VAL 52 HB VAL 52 7.178 -6.441 -11.794 401 HG11 VAL 52 1HG1 VAL 52 4.495 -6.270 -12.083 402 HG12 VAL 52 2HG1 VAL 52 5.418 -7.762 -12.280 403 HG13 VAL 52 3HG1 VAL 52 4.607 -7.420 -10.751 404 HG21 VAL 52 3HG2 VAL 52 5.916 -4.374 -11.938 405 HG22 VAL 52 1HG2 VAL 52 5.324 -4.595 -10.292 406 HG23 VAL 52 2HG2 VAL 52 7.039 -4.302 -10.580 407 H ASP 53 H ASP 53 5.169 -8.720 -9.266 408 HA ASP 53 HA ASP 53 6.898 -10.832 -10.328 409 HB2 ASP 53 2HB ASP 53 6.708 -10.437 -7.628 410 HB3 ASP 53 3HB ASP 53 5.423 -11.609 -7.905 411 H CYS 54 H CYS 54 5.817 -12.039 -11.729 412 HA CYS 54 HA CYS 54 2.883 -12.007 -11.645 413 HB2 CYS 54 2HB CYS 54 4.684 -12.876 -13.913 414 HB3 CYS 54 3HB CYS 54 2.942 -12.633 -13.983 415 H ASP 55 H ASP 55 1.689 -13.858 -11.535 416 HA ASP 55 HA ASP 55 2.734 -16.090 -10.238 417 HB2 ASP 55 2HB ASP 55 0.176 -15.409 -11.560 418 HB3 ASP 55 3HB ASP 55 0.510 -17.129 -11.379 Start of MODEL 3 1 H1 ALA 1 H ALA 1 -0.226 0.535 -1.311 2 HA ALA 1 HA ALA 1 2.087 0.965 -2.021 3 HB1 ALA 1 1HB ALA 1 2.657 0.814 0.548 4 HB2 ALA 1 2HB ALA 1 3.047 -0.854 0.127 5 HB3 ALA 1 3HB ALA 1 3.874 0.477 -0.684 6 H LYS 2 H LYS 2 0.293 -1.793 -0.988 7 HA LYS 2 HA LYS 2 1.689 -3.516 -2.914 8 HB2 LYS 2 2HB LYS 2 0.341 -5.349 -1.802 9 HB3 LYS 2 3HB LYS 2 1.554 -4.570 -0.793 10 HG2 LYS 2 2HG LYS 2 -0.176 -3.214 0.258 11 HG3 LYS 2 3HG LYS 2 -1.398 -3.971 -0.767 12 HD2 LYS 2 2HD LYS 2 0.373 -5.466 1.163 13 HD3 LYS 2 3HD LYS 2 -1.269 -4.931 1.526 14 HE2 LYS 2 2HE LYS 2 -1.989 -6.854 0.671 15 HE3 LYS 2 3HE LYS 2 -1.474 -6.265 -0.909 16 HZ1 LYS 2 3HZ LYS 2 0.698 -7.338 0.607 17 HZ2 LYS 2 1HZ LYS 2 0.188 -7.718 -0.961 18 HZ3 LYS 2 2HZ LYS 2 -0.527 -8.481 0.368 19 H TYR 3 H TYR 3 0.823 -3.703 -4.862 20 HA TYR 3 HA TYR 3 -2.077 -3.294 -5.164 21 HB2 TYR 3 2HB TYR 3 0.195 -2.843 -7.102 22 HB3 TYR 3 3HB TYR 3 -1.499 -2.809 -7.577 23 HD1 TYR 3 HD1 TYR 3 -2.981 -1.238 -5.942 24 HD2 TYR 3 HD2 TYR 3 1.182 -0.804 -6.708 25 HE1 TYR 3 HE1 TYR 3 -3.117 1.133 -5.302 26 HE2 TYR 3 HE2 TYR 3 1.058 1.568 -6.069 27 HH TYR 3 HH TYR 3 -0.777 2.931 -4.397 28 H THR 4 H THR 4 -3.308 -4.877 -5.985 29 HA THR 4 HA THR 4 -1.951 -7.352 -6.820 30 HB THR 4 HB THR 4 -3.360 -7.667 -4.868 31 HG1 THR 4 HG1 THR 4 -4.455 -9.414 -5.664 32 HG21 THR 4 3HG2 THR 4 -5.263 -6.547 -4.586 33 HG22 THR 4 1HG2 THR 4 -5.963 -7.347 -5.992 34 HG23 THR 4 2HG2 THR 4 -5.073 -5.837 -6.189 35 H GLY 5 H GLY 5 -2.179 -8.078 -8.843 36 HA2 GLY 5 2HA GLY 5 -4.447 -7.116 -10.447 37 HA3 GLY 5 3HA GLY 5 -2.815 -6.900 -11.060 38 H LYS 6 H LYS 6 -4.786 -8.330 -12.434 39 HA LYS 6 HA LYS 6 -3.805 -11.099 -12.194 40 HB2 LYS 6 2HB LYS 6 -6.427 -10.186 -13.388 41 HB3 LYS 6 3HB LYS 6 -5.906 -11.848 -13.148 42 HG2 LYS 6 2HG LYS 6 -6.957 -11.807 -11.200 43 HG3 LYS 6 3HG LYS 6 -5.728 -10.674 -10.630 44 HD2 LYS 6 2HD LYS 6 -7.604 -9.438 -10.219 45 HD3 LYS 6 3HD LYS 6 -7.279 -8.929 -11.877 46 HE2 LYS 6 2HE LYS 6 -9.303 -9.637 -12.455 47 HE3 LYS 6 3HE LYS 6 -8.820 -11.281 -12.039 48 HZ1 LYS 6 3HZ LYS 6 -9.393 -10.071 -9.643 49 HZ2 LYS 6 1HZ LYS 6 -10.356 -11.195 -10.461 50 HZ3 LYS 6 2HZ LYS 6 -10.615 -9.539 -10.685 51 H CYS 7 H CYS 7 -3.169 -12.188 -14.040 52 HA CYS 7 HA CYS 7 -2.984 -10.567 -16.494 53 HB2 CYS 7 2HB CYS 7 -0.779 -11.238 -16.871 54 HB3 CYS 7 3HB CYS 7 -0.815 -10.960 -15.132 55 H THR 8 H THR 8 -2.682 -11.883 -18.480 56 HA THR 8 HA THR 8 -4.262 -14.362 -18.295 57 HB THR 8 HB THR 8 -4.204 -13.605 -20.980 58 HG1 THR 8 HG1 THR 8 -5.144 -11.371 -20.599 59 HG21 THR 8 3HG2 THR 8 -6.184 -13.612 -18.770 60 HG22 THR 8 1HG2 THR 8 -6.211 -14.460 -20.315 61 HG23 THR 8 2HG2 THR 8 -6.620 -12.746 -20.243 62 H LYS 9 H LYS 9 -3.671 -16.158 -19.572 63 HA LYS 9 HA LYS 9 -0.836 -16.497 -19.853 64 HB2 LYS 9 2HB LYS 9 -2.198 -18.343 -19.056 65 HB3 LYS 9 3HB LYS 9 -3.149 -18.321 -20.534 66 HG2 LYS 9 2HG LYS 9 -1.002 -18.839 -21.766 67 HG3 LYS 9 3HG LYS 9 -0.286 -19.155 -20.184 68 HD2 LYS 9 2HD LYS 9 -2.303 -20.729 -19.838 69 HD3 LYS 9 3HD LYS 9 -2.485 -20.631 -21.591 70 HE2 LYS 9 2HE LYS 9 -0.358 -21.584 -21.963 71 HE3 LYS 9 3HE LYS 9 0.121 -21.360 -20.281 72 HZ1 LYS 9 3HZ LYS 9 -2.235 -22.987 -20.641 73 HZ2 LYS 9 1HZ LYS 9 -0.877 -23.248 -19.667 74 HZ3 LYS 9 2HZ LYS 9 -0.831 -23.653 -21.308 75 H SER 10 H SER 10 -3.463 -15.686 -21.947 76 HA SER 10 HA SER 10 -2.045 -16.357 -24.377 77 HB2 SER 10 2HB SER 10 -4.753 -15.508 -23.654 78 HB3 SER 10 3HB SER 10 -4.157 -14.749 -25.130 79 HG SER 10 HG SER 10 -4.769 -17.401 -24.615 80 H LYS 11 H LYS 11 -3.055 -13.394 -22.700 81 HA LYS 11 HA LYS 11 -1.563 -11.741 -24.561 82 HB2 LYS 11 2HB LYS 11 -3.648 -11.334 -22.570 83 HB3 LYS 11 3HB LYS 11 -2.376 -10.126 -22.447 84 HG2 LYS 11 2HG LYS 11 -3.146 -10.558 -25.196 85 HG3 LYS 11 3HG LYS 11 -4.531 -10.117 -24.194 86 HD2 LYS 11 2HD LYS 11 -2.779 -8.322 -23.285 87 HD3 LYS 11 3HD LYS 11 -2.116 -8.549 -24.905 88 HE2 LYS 11 2HE LYS 11 -5.024 -7.968 -24.394 89 HE3 LYS 11 3HE LYS 11 -3.825 -6.699 -24.634 90 HZ1 LYS 11 3HZ LYS 11 -5.174 -7.597 -26.637 91 HZ2 LYS 11 1HZ LYS 11 -4.053 -8.864 -26.609 92 HZ3 LYS 11 2HZ LYS 11 -3.524 -7.272 -26.822 93 H ASN 12 H ASN 12 -0.996 -13.375 -21.639 94 HA ASN 12 HA ASN 12 0.665 -13.312 -20.074 95 HB2 ASN 12 2HB ASN 12 1.777 -13.478 -22.597 96 HB3 ASN 12 3HB ASN 12 2.683 -12.164 -21.853 97 HD21 ASN 12 1HD2 ASN 12 4.487 -12.827 -20.967 98 HD22 ASN 12 2HD2 ASN 12 4.740 -14.336 -20.164 99 H GLU 13 H GLU 13 -0.952 -10.929 -20.241 100 HA GLU 13 HA GLU 13 0.996 -8.977 -19.207 101 HB2 GLU 13 2HB GLU 13 0.359 -7.920 -21.166 102 HB3 GLU 13 3HB GLU 13 -1.267 -8.585 -21.120 103 HG2 GLU 13 2HG GLU 13 -0.539 -6.727 -18.945 104 HG3 GLU 13 3HG GLU 13 -0.706 -6.037 -20.559 105 H CYS 14 H CYS 14 0.532 -8.063 -17.281 106 HA CYS 14 HA CYS 14 -1.818 -9.069 -15.873 107 HB2 CYS 14 2HB CYS 14 0.682 -8.982 -15.013 108 HB3 CYS 14 3HB CYS 14 0.236 -7.341 -14.560 109 H LYS 15 H LYS 15 -2.936 -7.534 -14.364 110 HA LYS 15 HA LYS 15 -2.976 -4.758 -15.241 111 HB2 LYS 15 2HB LYS 15 -4.577 -5.865 -16.733 112 HB3 LYS 15 3HB LYS 15 -5.431 -6.521 -15.343 113 HG2 LYS 15 2HG LYS 15 -5.084 -3.577 -15.509 114 HG3 LYS 15 3HG LYS 15 -6.255 -4.347 -16.582 115 HD2 LYS 15 2HD LYS 15 -6.393 -5.257 -13.800 116 HD3 LYS 15 3HD LYS 15 -6.758 -3.544 -14.019 117 HE2 LYS 15 2HE LYS 15 -8.257 -4.422 -15.975 118 HE3 LYS 15 3HE LYS 15 -8.177 -5.944 -15.088 119 HZ1 LYS 15 3HZ LYS 15 -9.404 -5.124 -13.385 120 HZ2 LYS 15 1HZ LYS 15 -10.029 -4.146 -14.617 121 HZ3 LYS 15 2HZ LYS 15 -8.845 -3.538 -13.573 122 H TYR 16 H TYR 16 -3.050 -3.512 -13.499 123 HA TYR 16 HA TYR 16 -4.620 -4.375 -11.180 124 HB2 TYR 16 2HB TYR 16 -2.850 -3.865 -9.630 125 HB3 TYR 16 3HB TYR 16 -2.224 -4.998 -10.822 126 HD1 TYR 16 HD1 TYR 16 -2.099 -1.539 -9.604 127 HD2 TYR 16 HD2 TYR 16 -0.513 -4.332 -12.395 128 HE1 TYR 16 HE1 TYR 16 -0.244 0.003 -10.084 129 HE2 TYR 16 HE2 TYR 16 1.347 -2.798 -12.881 130 HH TYR 16 HH TYR 16 1.479 0.097 -12.544 131 H LYS 17 H LYS 17 -4.967 -2.586 -9.615 132 HA LYS 17 HA LYS 17 -5.409 -0.089 -11.078 133 HB2 LYS 17 2HB LYS 17 -6.621 -1.319 -8.626 134 HB3 LYS 17 3HB LYS 17 -6.765 0.412 -8.902 135 HG2 LYS 17 2HG LYS 17 -7.934 0.054 -10.957 136 HG3 LYS 17 3HG LYS 17 -7.638 -1.684 -10.877 137 HD2 LYS 17 2HD LYS 17 -8.857 -1.240 -8.488 138 HD3 LYS 17 3HD LYS 17 -9.655 -0.042 -9.510 139 HE2 LYS 17 2HE LYS 17 -9.866 -2.053 -11.173 140 HE3 LYS 17 3HE LYS 17 -9.649 -3.020 -9.716 141 HZ1 LYS 17 3HZ LYS 17 -11.847 -1.185 -10.407 142 HZ2 LYS 17 1HZ LYS 17 -11.508 -1.527 -8.785 143 HZ3 LYS 17 2HZ LYS 17 -11.924 -2.778 -9.844 144 H ASN 18 H ASN 18 -4.200 1.651 -10.729 145 HA ASN 18 HA ASN 18 -2.093 1.597 -8.785 146 HB2 ASN 18 2HB ASN 18 -1.263 3.507 -9.833 147 HB3 ASN 18 3HB ASN 18 -2.106 2.690 -11.146 148 HD21 ASN 18 1HD2 ASN 18 -4.449 3.355 -11.375 149 HD22 ASN 18 2HD2 ASN 18 -4.784 5.044 -11.240 150 H ASP 19 H ASP 19 -1.819 4.048 -7.771 151 HA ASP 19 HA ASP 19 -3.486 4.088 -5.545 152 HB2 ASP 19 2HB ASP 19 -1.387 5.187 -5.381 153 HB3 ASP 19 3HB ASP 19 -1.733 6.214 -6.770 154 H ALA 20 H ALA 20 -3.754 5.791 -8.613 155 HA ALA 20 HA ALA 20 -5.929 7.457 -7.822 156 HB1 ALA 20 1HB ALA 20 -5.559 6.772 -10.682 157 HB2 ALA 20 2HB ALA 20 -5.825 8.338 -9.915 158 HB3 ALA 20 3HB ALA 20 -4.229 7.589 -9.862 159 H GLY 21 H GLY 21 -5.729 4.168 -8.416 160 HA2 GLY 21 2HA GLY 21 -7.452 2.610 -8.292 161 HA3 GLY 21 3HA GLY 21 -8.613 3.924 -8.411 162 H LYS 22 H LYS 22 -6.570 4.531 -10.845 163 HA LYS 22 HA LYS 22 -8.389 3.632 -12.844 164 HB2 LYS 22 2HB LYS 22 -5.586 4.722 -13.161 165 HB3 LYS 22 3HB LYS 22 -6.787 4.576 -14.438 166 HG2 LYS 22 2HG LYS 22 -8.078 6.309 -13.601 167 HG3 LYS 22 3HG LYS 22 -7.368 6.191 -11.990 168 HD2 LYS 22 2HD LYS 22 -6.448 8.140 -12.945 169 HD3 LYS 22 3HD LYS 22 -5.181 6.916 -13.062 170 HE2 LYS 22 2HE LYS 22 -5.408 6.710 -15.345 171 HE3 LYS 22 3HE LYS 22 -7.079 7.271 -15.336 172 HZ1 LYS 22 3HZ LYS 22 -4.608 8.802 -15.435 173 HZ2 LYS 22 1HZ LYS 22 -5.848 9.455 -14.488 174 HZ3 LYS 22 2HZ LYS 22 -6.116 9.133 -16.126 175 H ASP 23 H ASP 23 -8.298 1.913 -14.196 176 HA ASP 23 HA ASP 23 -6.752 -0.339 -13.440 177 HB2 ASP 23 2HB ASP 23 -7.737 -1.417 -15.431 178 HB3 ASP 23 3HB ASP 23 -8.954 -0.597 -14.456 179 H THR 24 H THR 24 -4.712 -0.775 -13.913 180 HA THR 24 HA THR 24 -3.559 0.367 -16.375 181 HB THR 24 HB THR 24 -1.986 -0.195 -13.861 182 HG1 THR 24 HG1 THR 24 -2.076 2.180 -13.678 183 HG21 THR 24 3HG2 THR 24 -0.609 -0.121 -15.818 184 HG22 THR 24 1HG2 THR 24 -0.393 1.403 -14.957 185 HG23 THR 24 2HG2 THR 24 -1.412 1.339 -16.395 186 H PHE 25 H PHE 25 -2.822 -1.075 -17.784 187 HA PHE 25 HA PHE 25 -2.286 -3.810 -16.832 188 HB2 PHE 25 2HB PHE 25 -2.679 -4.404 -19.297 189 HB3 PHE 25 3HB PHE 25 -4.087 -3.946 -18.343 190 HD1 PHE 25 HD2 PHE 25 -1.751 -2.869 -20.963 191 HD2 PHE 25 HD1 PHE 25 -5.310 -1.952 -18.816 192 HE1 PHE 25 HE2 PHE 25 -2.292 -1.124 -22.611 193 HE2 PHE 25 HE1 PHE 25 -5.858 -0.207 -20.461 194 HZ PHE 25 HZ PHE 25 -4.348 0.210 -22.362 195 H ILE 26 H ILE 26 -0.299 -4.617 -17.055 196 HA ILE 26 HA ILE 26 1.548 -3.333 -18.948 197 HB ILE 26 HB ILE 26 1.951 -2.525 -16.605 198 HG12 ILE 26 2HG1 ILE 26 4.439 -3.936 -17.065 199 HG13 ILE 26 3HG1 ILE 26 3.760 -3.350 -18.579 200 HG21 ILE 26 1HG2 ILE 26 1.380 -4.595 -15.438 201 HG22 ILE 26 2HG2 ILE 26 2.787 -5.385 -16.147 202 HG23 ILE 26 3HG2 ILE 26 3.003 -4.049 -15.016 203 HD11 ILE 26 3HD1 ILE 26 5.152 -1.913 -16.550 204 HD12 ILE 26 1HD1 ILE 26 4.601 -1.360 -18.131 205 HD13 ILE 26 2HD1 ILE 26 3.529 -1.246 -16.734 206 H LYS 27 H LYS 27 3.034 -4.672 -19.922 207 HA LYS 27 HA LYS 27 2.360 -7.404 -20.156 208 HB2 LYS 27 2HB LYS 27 4.596 -7.516 -21.399 209 HB3 LYS 27 3HB LYS 27 3.367 -6.437 -22.046 210 HG2 LYS 27 2HG LYS 27 5.124 -5.132 -20.129 211 HG3 LYS 27 3HG LYS 27 5.981 -5.784 -21.528 212 HD2 LYS 27 2HD LYS 27 4.367 -4.610 -23.001 213 HD3 LYS 27 3HD LYS 27 3.635 -3.885 -21.568 214 HE2 LYS 27 2HE LYS 27 5.345 -2.435 -21.268 215 HE3 LYS 27 3HE LYS 27 6.560 -3.589 -21.817 216 HZ1 LYS 27 3HZ LYS 27 5.518 -3.183 -24.114 217 HZ2 LYS 27 1HZ LYS 27 6.546 -2.001 -23.475 218 HZ3 LYS 27 2HZ LYS 27 4.870 -1.784 -23.420 219 H CYS 28 H CYS 28 3.475 -9.262 -19.500 220 HA CYS 28 HA CYS 28 5.056 -8.890 -17.058 221 HB2 CYS 28 2HB CYS 28 3.222 -11.001 -18.060 222 HB3 CYS 28 3HB CYS 28 4.583 -11.534 -17.078 223 HA PRO 29 HA PRO 29 8.798 -10.389 -18.788 224 HB2 PRO 29 2HB PRO 29 9.779 -11.962 -16.804 225 HB3 PRO 29 3HB PRO 29 9.734 -10.198 -16.698 226 HG2 PRO 29 2HG PRO 29 7.856 -12.215 -15.528 227 HG3 PRO 29 3HG PRO 29 8.528 -10.750 -14.788 228 HD2 PRO 29 2HD PRO 29 6.021 -10.849 -15.808 229 HD3 PRO 29 3HD PRO 29 7.005 -9.371 -15.834 230 H LYS 30 H LYS 30 9.395 -11.948 -20.174 231 HA LYS 30 HA LYS 30 7.820 -14.388 -20.281 232 HB2 LYS 30 2HB LYS 30 9.617 -12.921 -22.144 233 HB3 LYS 30 3HB LYS 30 9.466 -14.659 -22.369 234 HG2 LYS 30 2HG LYS 30 6.873 -14.009 -22.165 235 HG3 LYS 30 3HG LYS 30 7.508 -12.506 -22.838 236 HD2 LYS 30 2HD LYS 30 8.592 -13.834 -24.637 237 HD3 LYS 30 3HD LYS 30 7.805 -15.278 -23.994 238 HE2 LYS 30 2HE LYS 30 5.703 -14.582 -24.647 239 HE3 LYS 30 3HE LYS 30 6.160 -12.879 -24.669 240 HZ1 LYS 30 3HZ LYS 30 7.141 -13.077 -26.724 241 HZ2 LYS 30 1HZ LYS 30 5.836 -14.142 -26.882 242 HZ3 LYS 30 2HZ LYS 30 7.387 -14.745 -26.584 243 H PHE 31 H PHE 31 10.264 -13.624 -18.429 244 HA PHE 31 HA PHE 31 12.152 -15.712 -18.986 245 HB2 PHE 31 2HB PHE 31 11.843 -13.572 -16.970 246 HB3 PHE 31 3HB PHE 31 12.704 -15.008 -16.427 247 HD1 PHE 31 HD1 PHE 31 12.635 -12.551 -19.221 248 HD2 PHE 31 HD2 PHE 31 14.965 -15.204 -16.845 249 HE1 PHE 31 HE1 PHE 31 14.680 -11.731 -20.318 250 HE2 PHE 31 HE2 PHE 31 17.013 -14.388 -17.936 251 HZ PHE 31 HZ PHE 31 16.873 -12.649 -19.675 252 H ASP 32 H ASP 32 12.482 -17.621 -17.845 253 HA ASP 32 HA ASP 32 10.187 -19.009 -17.021 254 HB2 ASP 32 2HB ASP 32 13.087 -19.540 -17.118 255 HB3 ASP 32 3HB ASP 32 12.200 -20.472 -15.914 256 H ASN 33 H ASN 33 12.221 -16.844 -15.335 257 HA ASN 33 HA ASN 33 11.857 -17.842 -12.701 258 HB2 ASN 33 2HB ASN 33 13.631 -16.190 -13.505 259 HB3 ASN 33 3HB ASN 33 12.374 -14.959 -13.422 260 HD21 ASN 33 1HD2 ASN 33 13.335 -13.794 -11.806 261 HD22 ASN 33 2HD2 ASN 33 13.472 -14.367 -10.182 262 H LYS 34 H LYS 34 10.018 -15.711 -14.777 263 HA LYS 34 HA LYS 34 7.729 -15.937 -13.037 264 HB2 LYS 34 2HB LYS 34 9.244 -13.376 -13.340 265 HB3 LYS 34 3HB LYS 34 7.491 -13.317 -13.202 266 HG2 LYS 34 2HG LYS 34 7.778 -13.327 -11.004 267 HG3 LYS 34 3HG LYS 34 8.268 -15.015 -11.158 268 HD2 LYS 34 2HD LYS 34 10.595 -13.871 -11.757 269 HD3 LYS 34 3HD LYS 34 9.918 -12.579 -10.764 270 HE2 LYS 34 2HE LYS 34 9.889 -15.418 -9.811 271 HE3 LYS 34 3HE LYS 34 11.337 -14.427 -9.637 272 HZ1 LYS 34 3HZ LYS 34 9.002 -14.432 -8.056 273 HZ2 LYS 34 1HZ LYS 34 9.204 -12.899 -8.741 274 HZ3 LYS 34 2HZ LYS 34 10.443 -13.580 -7.814 275 H LYS 35 H LYS 35 6.001 -16.193 -14.281 276 HA LYS 35 HA LYS 35 5.488 -14.593 -16.586 277 HB2 LYS 35 2HB LYS 35 5.587 -16.287 -18.291 278 HB3 LYS 35 3HB LYS 35 7.153 -16.212 -17.494 279 HG2 LYS 35 2HG LYS 35 6.861 -18.249 -16.438 280 HG3 LYS 35 3HG LYS 35 5.104 -18.196 -16.603 281 HD2 LYS 35 2HD LYS 35 5.251 -19.393 -18.469 282 HD3 LYS 35 3HD LYS 35 6.217 -18.114 -19.209 283 HE2 LYS 35 2HE LYS 35 7.338 -20.317 -19.244 284 HE3 LYS 35 3HE LYS 35 8.248 -19.094 -18.358 285 HZ1 LYS 35 3HZ LYS 35 6.458 -20.543 -16.667 286 HZ2 LYS 35 1HZ LYS 35 8.122 -20.282 -16.501 287 HZ3 LYS 35 2HZ LYS 35 7.558 -21.570 -17.441 288 H CYS 36 H CYS 36 3.538 -15.667 -17.851 289 HA CYS 36 HA CYS 36 1.592 -16.399 -15.786 290 HB2 CYS 36 2HB CYS 36 1.236 -15.334 -18.594 291 HB3 CYS 36 3HB CYS 36 -0.097 -15.797 -17.540 292 H THR 37 H THR 37 1.010 -18.447 -15.585 293 HA THR 37 HA THR 37 1.521 -20.310 -17.781 294 HB THR 37 HB THR 37 0.949 -22.060 -16.031 295 HG1 THR 37 HG1 THR 37 -0.067 -21.046 -14.412 296 HG21 THR 37 3HG2 THR 37 3.125 -21.701 -14.787 297 HG22 THR 37 1HG2 THR 37 3.279 -20.184 -15.671 298 HG23 THR 37 2HG2 THR 37 3.240 -21.714 -16.547 299 H LYS 38 H LYS 38 -1.088 -18.935 -15.906 300 HA LYS 38 HA LYS 38 -3.001 -20.183 -17.747 301 HB2 LYS 38 2HB LYS 38 -2.724 -21.051 -15.151 302 HB3 LYS 38 3HB LYS 38 -4.024 -19.874 -15.016 303 HG2 LYS 38 2HG LYS 38 -5.358 -21.052 -16.599 304 HG3 LYS 38 3HG LYS 38 -4.019 -22.127 -17.010 305 HD2 LYS 38 2HD LYS 38 -4.300 -22.370 -14.252 306 HD3 LYS 38 3HD LYS 38 -5.954 -22.320 -14.866 307 HE2 LYS 38 2HE LYS 38 -3.975 -24.051 -16.259 308 HE3 LYS 38 3HE LYS 38 -4.601 -24.585 -14.700 309 HZ1 LYS 38 3HZ LYS 38 -5.874 -24.581 -17.250 310 HZ2 LYS 38 1HZ LYS 38 -6.808 -23.767 -16.098 311 HZ3 LYS 38 2HZ LYS 38 -6.332 -25.366 -15.823 312 H ASP 39 H ASP 39 -5.046 -19.050 -17.891 313 HA ASP 39 HA ASP 39 -4.695 -16.220 -17.916 314 HB2 ASP 39 2HB ASP 39 -7.331 -17.642 -18.245 315 HB3 ASP 39 3HB ASP 39 -6.820 -16.111 -18.950 316 H ASN 40 H ASN 40 -6.178 -14.682 -16.886 317 HA ASN 40 HA ASN 40 -7.087 -13.720 -15.037 318 HB2 ASN 40 2HB ASN 40 -8.718 -15.736 -15.568 319 HB3 ASN 40 3HB ASN 40 -8.088 -16.355 -14.045 320 HD21 ASN 40 1HD2 ASN 40 -8.392 -15.104 -12.142 321 HD22 ASN 40 2HD2 ASN 40 -9.699 -13.980 -12.032 322 H ASN 41 H ASN 41 -4.424 -15.208 -14.966 323 HA ASN 41 HA ASN 41 -3.985 -16.277 -12.420 324 HB2 ASN 41 2HB ASN 41 -2.426 -15.664 -14.696 325 HB3 ASN 41 3HB ASN 41 -1.648 -14.871 -13.330 326 HD21 ASN 41 1HD2 ASN 41 -0.983 -17.268 -15.016 327 HD22 ASN 41 2HD2 ASN 41 -0.659 -18.520 -13.872 328 H LYS 42 H LYS 42 -1.993 -14.962 -11.168 329 HA LYS 42 HA LYS 42 -2.996 -12.270 -10.577 330 HB2 LYS 42 2HB LYS 42 -3.557 -14.422 -8.948 331 HB3 LYS 42 3HB LYS 42 -2.124 -13.734 -8.196 332 HG2 LYS 42 2HG LYS 42 -3.826 -12.624 -7.116 333 HG3 LYS 42 3HG LYS 42 -3.398 -11.488 -8.397 334 HD2 LYS 42 2HD LYS 42 -5.784 -11.641 -8.312 335 HD3 LYS 42 3HD LYS 42 -5.240 -12.466 -9.774 336 HE2 LYS 42 2HE LYS 42 -5.564 -14.603 -8.788 337 HE3 LYS 42 3HE LYS 42 -5.797 -13.901 -7.187 338 HZ1 LYS 42 3HZ LYS 42 -7.729 -12.693 -8.592 339 HZ2 LYS 42 1HZ LYS 42 -7.954 -14.112 -7.698 340 HZ3 LYS 42 2HZ LYS 42 -7.677 -14.197 -9.365 341 H CYS 43 H CYS 43 -1.454 -10.800 -9.959 342 HA CYS 43 HA CYS 43 1.300 -11.767 -9.640 343 HB2 CYS 43 2HB CYS 43 2.161 -10.101 -11.153 344 HB3 CYS 43 3HB CYS 43 0.929 -11.031 -11.998 345 H THR 44 H THR 44 2.736 -9.735 -9.068 346 HA THR 44 HA THR 44 1.283 -7.940 -7.262 347 HB THR 44 HB THR 44 3.511 -8.414 -5.775 348 HG1 THR 44 HG1 THR 44 3.542 -10.806 -5.693 349 HG21 THR 44 3HG2 THR 44 1.696 -10.267 -4.793 350 HG22 THR 44 1HG2 THR 44 0.694 -9.111 -5.669 351 HG23 THR 44 2HG2 THR 44 1.765 -8.554 -4.384 352 H VAL 45 H VAL 45 2.222 -5.940 -6.964 353 HA VAL 45 HA VAL 45 4.844 -5.418 -8.133 354 HB VAL 45 HB VAL 45 2.390 -3.872 -8.979 355 HG11 VAL 45 1HG1 VAL 45 3.875 -2.636 -10.425 356 HG12 VAL 45 2HG1 VAL 45 4.450 -2.521 -8.761 357 HG13 VAL 45 3HG1 VAL 45 5.250 -3.606 -9.899 358 HG21 VAL 45 3HG2 VAL 45 3.206 -4.786 -11.275 359 HG22 VAL 45 1HG2 VAL 45 3.989 -6.027 -10.296 360 HG23 VAL 45 2HG2 VAL 45 2.240 -5.818 -10.221 361 H ASP 46 H ASP 46 5.972 -4.155 -6.817 362 HA ASP 46 HA ASP 46 4.507 -2.345 -5.009 363 HB2 ASP 46 2HB ASP 46 5.731 -4.437 -4.037 364 HB3 ASP 46 3HB ASP 46 7.190 -3.485 -4.300 365 H THR 47 H THR 47 5.074 -0.259 -5.034 366 HA THR 47 HA THR 47 7.119 0.593 -6.902 367 HB THR 47 HB THR 47 6.031 2.801 -5.450 368 HG1 THR 47 HG1 THR 47 4.271 1.525 -4.897 369 HG21 THR 47 3HG2 THR 47 5.002 3.258 -7.726 370 HG22 THR 47 1HG2 THR 47 5.740 1.747 -8.256 371 HG23 THR 47 2HG2 THR 47 6.755 3.073 -7.687 372 H TYR 48 H TYR 48 6.840 0.049 -3.544 373 HA TYR 48 HA TYR 48 8.921 1.908 -2.782 374 HB2 TYR 48 2HB TYR 48 6.889 0.436 -1.433 375 HB3 TYR 48 3HB TYR 48 8.440 -0.023 -0.739 376 HD1 TYR 48 HD2 TYR 48 9.876 1.688 0.319 377 HD2 TYR 48 HD1 TYR 48 5.972 2.620 -1.090 378 HE1 TYR 48 HE2 TYR 48 9.893 3.751 1.657 379 HE2 TYR 48 HE1 TYR 48 5.978 4.687 0.243 380 HH TYR 48 HH TYR 48 8.189 5.294 2.682 381 H ASN 49 H ASN 49 8.562 -1.574 -3.249 382 HA ASN 49 HA ASN 49 11.438 -1.922 -2.773 383 HB2 ASN 49 2HB ASN 49 9.133 -3.868 -2.826 384 HB3 ASN 49 3HB ASN 49 10.812 -4.399 -2.834 385 HD21 ASN 49 1HD2 ASN 49 11.353 -5.088 -0.903 386 HD22 ASN 49 2HD2 ASN 49 10.947 -4.339 0.600 387 H ASN 50 H ASN 50 9.317 -1.424 -5.270 388 HA ASN 50 HA ASN 50 9.368 -1.743 -7.526 389 HB2 ASN 50 2HB ASN 50 12.255 -1.579 -6.744 390 HB3 ASN 50 3HB ASN 50 11.833 -1.939 -8.416 391 HD21 ASN 50 1HD2 ASN 50 10.181 -0.422 -9.372 392 HD22 ASN 50 2HD2 ASN 50 10.377 1.257 -9.017 393 H ALA 51 H ALA 51 9.137 -4.122 -5.810 394 HA ALA 51 HA ALA 51 10.439 -6.177 -7.444 395 HB1 ALA 51 1HB ALA 51 10.819 -6.672 -5.210 396 HB2 ALA 51 2HB ALA 51 9.193 -6.190 -4.722 397 HB3 ALA 51 3HB ALA 51 9.438 -7.694 -5.609 398 H VAL 52 H VAL 52 9.347 -7.362 -8.879 399 HA VAL 52 HA VAL 52 6.401 -7.261 -8.814 400 HB VAL 52 HB VAL 52 6.754 -7.712 -11.397 401 HG11 VAL 52 1HG1 VAL 52 5.636 -5.796 -11.398 402 HG12 VAL 52 2HG1 VAL 52 6.231 -5.419 -9.780 403 HG13 VAL 52 3HG1 VAL 52 7.156 -4.925 -11.199 404 HG21 VAL 52 3HG2 VAL 52 9.264 -7.730 -11.062 405 HG22 VAL 52 1HG2 VAL 52 8.659 -6.685 -12.348 406 HG23 VAL 52 2HG2 VAL 52 9.149 -5.989 -10.803 407 H ASP 53 H ASP 53 5.290 -9.137 -9.197 408 HA ASP 53 HA ASP 53 6.817 -11.550 -9.850 409 HB2 ASP 53 2HB ASP 53 5.996 -10.946 -7.243 410 HB3 ASP 53 3HB ASP 53 4.823 -12.122 -7.829 411 H CYS 54 H CYS 54 5.882 -12.304 -11.627 412 HA CYS 54 HA CYS 54 2.967 -12.064 -11.914 413 HB2 CYS 54 2HB CYS 54 4.595 -11.130 -13.676 414 HB3 CYS 54 3HB CYS 54 4.881 -12.810 -14.116 415 H ASP 55 H ASP 55 1.694 -13.819 -12.012 416 HA ASP 55 HA ASP 55 3.004 -16.444 -11.823 417 HB2 ASP 55 2HB ASP 55 0.190 -15.675 -11.019 418 HB3 ASP 55 3HB ASP 55 0.967 -17.231 -10.740 Start of MODEL 4 1 H1 ALA 1 H ALA 1 0.606 0.443 0.697 2 HA ALA 1 HA ALA 1 1.971 0.951 -1.284 3 HB1 ALA 1 1HB ALA 1 3.213 -1.164 0.472 4 HB2 ALA 1 2HB ALA 1 4.086 -0.042 -0.573 5 HB3 ALA 1 3HB ALA 1 3.171 0.568 0.807 6 H LYS 2 H LYS 2 0.829 -2.302 -0.919 7 HA LYS 2 HA LYS 2 2.119 -3.148 -3.404 8 HB2 LYS 2 2HB LYS 2 1.358 -5.388 -2.838 9 HB3 LYS 2 3HB LYS 2 2.202 -4.673 -1.470 10 HG2 LYS 2 2HG LYS 2 0.002 -4.098 -0.480 11 HG3 LYS 2 3HG LYS 2 -0.775 -4.965 -1.806 12 HD2 LYS 2 2HD LYS 2 -0.702 -6.605 -0.197 13 HD3 LYS 2 3HD LYS 2 0.811 -6.913 -1.052 14 HE2 LYS 2 2HE LYS 2 1.715 -5.170 0.744 15 HE3 LYS 2 3HE LYS 2 0.342 -5.794 1.657 16 HZ1 LYS 2 3HZ LYS 2 1.650 -7.476 2.222 17 HZ2 LYS 2 1HZ LYS 2 2.854 -7.019 1.124 18 HZ3 LYS 2 2HZ LYS 2 1.581 -8.011 0.619 19 H TYR 3 H TYR 3 0.820 -4.266 -5.041 20 HA TYR 3 HA TYR 3 -1.994 -3.438 -5.112 21 HB2 TYR 3 2HB TYR 3 0.031 -2.976 -7.310 22 HB3 TYR 3 3HB TYR 3 -1.708 -2.794 -7.511 23 HD1 TYR 3 HD1 TYR 3 -2.710 -1.311 -5.378 24 HD2 TYR 3 HD2 TYR 3 1.137 -0.968 -7.162 25 HE1 TYR 3 HE1 TYR 3 -2.561 1.016 -4.594 26 HE2 TYR 3 HE2 TYR 3 1.298 1.359 -6.382 27 HH TYR 3 HH TYR 3 -0.913 2.698 -4.124 28 H THR 4 H THR 4 -3.340 -4.962 -5.858 29 HA THR 4 HA THR 4 -2.162 -7.477 -6.779 30 HB THR 4 HB THR 4 -5.087 -7.237 -6.272 31 HG1 THR 4 HG1 THR 4 -4.836 -7.145 -4.099 32 HG21 THR 4 3HG2 THR 4 -2.990 -9.317 -5.644 33 HG22 THR 4 1HG2 THR 4 -4.169 -9.373 -6.953 34 HG23 THR 4 2HG2 THR 4 -4.707 -9.473 -5.276 35 H GLY 5 H GLY 5 -2.174 -8.000 -8.862 36 HA2 GLY 5 2HA GLY 5 -4.330 -6.934 -10.567 37 HA3 GLY 5 3HA GLY 5 -2.652 -6.799 -11.073 38 H LYS 6 H LYS 6 -4.612 -8.088 -12.597 39 HA LYS 6 HA LYS 6 -3.790 -10.910 -12.370 40 HB2 LYS 6 2HB LYS 6 -6.312 -9.801 -13.617 41 HB3 LYS 6 3HB LYS 6 -5.877 -11.502 -13.510 42 HG2 LYS 6 2HG LYS 6 -6.937 -11.604 -11.572 43 HG3 LYS 6 3HG LYS 6 -5.741 -10.497 -10.893 44 HD2 LYS 6 2HD LYS 6 -7.090 -8.636 -11.229 45 HD3 LYS 6 3HD LYS 6 -8.060 -9.439 -12.465 46 HE2 LYS 6 2HE LYS 6 -9.525 -9.504 -10.712 47 HE3 LYS 6 3HE LYS 6 -8.679 -11.029 -10.455 48 HZ1 LYS 6 3HZ LYS 6 -8.126 -10.309 -8.452 49 HZ2 LYS 6 1HZ LYS 6 -8.856 -8.810 -8.736 50 HZ3 LYS 6 2HZ LYS 6 -7.232 -9.050 -9.142 51 H CYS 7 H CYS 7 -3.129 -11.995 -14.214 52 HA CYS 7 HA CYS 7 -2.778 -10.353 -16.633 53 HB2 CYS 7 2HB CYS 7 -0.560 -11.059 -16.917 54 HB3 CYS 7 3HB CYS 7 -0.674 -10.724 -15.192 55 H THR 8 H THR 8 -2.318 -11.703 -18.593 56 HA THR 8 HA THR 8 -3.891 -14.194 -18.482 57 HB THR 8 HB THR 8 -3.781 -13.351 -21.158 58 HG1 THR 8 HG1 THR 8 -4.946 -11.200 -20.584 59 HG21 THR 8 3HG2 THR 8 -5.717 -14.421 -20.501 60 HG22 THR 8 1HG2 THR 8 -6.264 -12.747 -20.575 61 HG23 THR 8 2HG2 THR 8 -5.864 -13.476 -19.020 62 H LYS 9 H LYS 9 -3.224 -15.956 -19.760 63 HA LYS 9 HA LYS 9 -0.379 -16.211 -20.003 64 HB2 LYS 9 2HB LYS 9 -0.758 -18.488 -20.416 65 HB3 LYS 9 3HB LYS 9 -2.062 -18.030 -19.329 66 HG2 LYS 9 2HG LYS 9 -3.586 -17.846 -21.228 67 HG3 LYS 9 3HG LYS 9 -2.277 -18.301 -22.321 68 HD2 LYS 9 2HD LYS 9 -3.291 -20.019 -20.058 69 HD3 LYS 9 3HD LYS 9 -3.799 -20.181 -21.741 70 HE2 LYS 9 2HE LYS 9 -0.960 -20.432 -20.750 71 HE3 LYS 9 3HE LYS 9 -2.031 -21.787 -21.106 72 HZ1 LYS 9 3HZ LYS 9 -2.168 -20.391 -23.382 73 HZ2 LYS 9 1HZ LYS 9 -1.079 -21.658 -23.117 74 HZ3 LYS 9 2HZ LYS 9 -0.577 -20.056 -22.914 75 H SER 10 H SER 10 -2.968 -15.379 -22.118 76 HA SER 10 HA SER 10 -1.539 -16.014 -24.546 77 HB2 SER 10 2HB SER 10 -3.816 -14.166 -24.756 78 HB3 SER 10 3HB SER 10 -3.521 -15.691 -25.589 79 HG SER 10 HG SER 10 -4.947 -16.484 -24.277 80 H LYS 11 H LYS 11 -2.487 -13.064 -22.812 81 HA LYS 11 HA LYS 11 -0.904 -11.424 -24.618 82 HB2 LYS 11 2HB LYS 11 -2.486 -10.625 -22.167 83 HB3 LYS 11 3HB LYS 11 -1.788 -9.530 -23.353 84 HG2 LYS 11 2HG LYS 11 -3.671 -9.620 -24.505 85 HG3 LYS 11 3HG LYS 11 -3.404 -11.344 -24.778 86 HD2 LYS 11 2HD LYS 11 -4.554 -11.854 -22.680 87 HD3 LYS 11 3HD LYS 11 -4.811 -10.131 -22.398 88 HE2 LYS 11 2HE LYS 11 -6.690 -10.236 -23.574 89 HE3 LYS 11 3HE LYS 11 -5.761 -10.709 -24.996 90 HZ1 LYS 11 3HZ LYS 11 -5.947 -13.022 -24.286 91 HZ2 LYS 11 1HZ LYS 11 -7.472 -12.326 -24.515 92 HZ3 LYS 11 2HZ LYS 11 -6.873 -12.552 -22.950 93 H ASN 12 H ASN 12 -0.488 -13.100 -21.698 94 HA ASN 12 HA ASN 12 1.113 -13.096 -20.072 95 HB2 ASN 12 2HB ASN 12 2.337 -13.111 -22.593 96 HB3 ASN 12 3HB ASN 12 3.264 -11.957 -21.639 97 HD21 ASN 12 1HD2 ASN 12 4.916 -12.810 -20.628 98 HD22 ASN 12 2HD2 ASN 12 5.027 -14.426 -20.028 99 H GLU 13 H GLU 13 -0.474 -10.709 -20.209 100 HA GLU 13 HA GLU 13 1.446 -8.807 -19.045 101 HB2 GLU 13 2HB GLU 13 0.422 -6.961 -20.081 102 HB3 GLU 13 3HB GLU 13 0.569 -8.162 -21.357 103 HG2 GLU 13 2HG GLU 13 -1.867 -8.792 -20.540 104 HG3 GLU 13 3HG GLU 13 -1.849 -7.112 -20.005 105 H CYS 14 H CYS 14 0.870 -7.900 -17.141 106 HA CYS 14 HA CYS 14 -1.602 -8.876 -15.919 107 HB2 CYS 14 2HB CYS 14 0.820 -8.981 -14.887 108 HB3 CYS 14 3HB CYS 14 0.466 -7.322 -14.414 109 H LYS 15 H LYS 15 -2.760 -7.357 -14.441 110 HA LYS 15 HA LYS 15 -2.607 -4.550 -15.230 111 HB2 LYS 15 2HB LYS 15 -4.963 -4.398 -15.752 112 HB3 LYS 15 3HB LYS 15 -4.223 -5.623 -16.775 113 HG2 LYS 15 2HG LYS 15 -6.006 -6.839 -16.167 114 HG3 LYS 15 3HG LYS 15 -5.051 -7.153 -14.715 115 HD2 LYS 15 2HD LYS 15 -6.917 -6.420 -13.671 116 HD3 LYS 15 3HD LYS 15 -6.223 -4.833 -14.011 117 HE2 LYS 15 2HE LYS 15 -8.125 -4.361 -15.069 118 HE3 LYS 15 3HE LYS 15 -7.594 -5.474 -16.328 119 HZ1 LYS 15 3HZ LYS 15 -9.098 -6.393 -13.952 120 HZ2 LYS 15 1HZ LYS 15 -8.852 -7.206 -15.415 121 HZ3 LYS 15 2HZ LYS 15 -9.877 -5.863 -15.357 122 H TYR 16 H TYR 16 -2.726 -3.304 -13.487 123 HA TYR 16 HA TYR 16 -4.378 -4.146 -11.221 124 HB2 TYR 16 2HB TYR 16 -2.580 -3.567 -9.632 125 HB3 TYR 16 3HB TYR 16 -2.131 -4.913 -10.673 126 HD1 TYR 16 HD2 TYR 16 -1.526 -1.370 -9.910 127 HD2 TYR 16 HD1 TYR 16 -0.341 -4.704 -12.273 128 HE1 TYR 16 HE2 TYR 16 0.522 -0.173 -10.561 129 HE2 TYR 16 HE1 TYR 16 1.710 -3.517 -12.930 130 HH TYR 16 HH TYR 16 2.160 -0.370 -12.723 131 H LYS 17 H LYS 17 -4.683 -2.365 -9.631 132 HA LYS 17 HA LYS 17 -5.000 0.164 -11.068 133 HB2 LYS 17 2HB LYS 17 -6.278 -1.012 -8.616 134 HB3 LYS 17 3HB LYS 17 -6.389 0.711 -8.948 135 HG2 LYS 17 2HG LYS 17 -7.632 0.372 -10.901 136 HG3 LYS 17 3HG LYS 17 -7.204 -1.339 -10.978 137 HD2 LYS 17 2HD LYS 17 -8.595 -1.858 -9.124 138 HD3 LYS 17 3HD LYS 17 -8.823 -0.152 -8.733 139 HE2 LYS 17 2HE LYS 17 -10.150 0.195 -10.679 140 HE3 LYS 17 3HE LYS 17 -9.734 -1.393 -11.322 141 HZ1 LYS 17 3HZ LYS 17 -11.891 -1.569 -10.426 142 HZ2 LYS 17 1HZ LYS 17 -11.461 -0.775 -8.995 143 HZ3 LYS 17 2HZ LYS 17 -10.873 -2.329 -9.309 144 H ASN 18 H ASN 18 -3.673 1.811 -10.715 145 HA ASN 18 HA ASN 18 -1.640 1.662 -8.698 146 HB2 ASN 18 2HB ASN 18 -0.665 3.510 -9.739 147 HB3 ASN 18 3HB ASN 18 -1.498 2.713 -11.070 148 HD21 ASN 18 1HD2 ASN 18 -3.776 3.500 -11.432 149 HD22 ASN 18 2HD2 ASN 18 -4.030 5.206 -11.331 150 H ASP 19 H ASP 19 -1.261 4.128 -7.729 151 HA ASP 19 HA ASP 19 -2.977 4.299 -5.549 152 HB2 ASP 19 2HB ASP 19 -1.937 6.472 -5.094 153 HB3 ASP 19 3HB ASP 19 -0.728 5.283 -5.573 154 H ALA 20 H ALA 20 -3.097 5.936 -8.661 155 HA ALA 20 HA ALA 20 -5.178 7.747 -7.982 156 HB1 ALA 20 1HB ALA 20 -3.471 7.566 -10.059 157 HB2 ALA 20 2HB ALA 20 -4.939 6.926 -10.800 158 HB3 ALA 20 3HB ALA 20 -4.944 8.536 -10.080 159 H GLY 21 H GLY 21 -5.171 4.415 -8.456 160 HA2 GLY 21 2HA GLY 21 -6.982 2.967 -8.245 161 HA3 GLY 21 3HA GLY 21 -8.066 4.343 -8.392 162 H LYS 22 H LYS 22 -6.044 4.759 -10.878 163 HA LYS 22 HA LYS 22 -7.947 3.865 -12.808 164 HB2 LYS 22 2HB LYS 22 -5.218 5.116 -12.983 165 HB3 LYS 22 3HB LYS 22 -6.052 4.551 -14.425 166 HG2 LYS 22 2HG LYS 22 -7.114 6.597 -12.486 167 HG3 LYS 22 3HG LYS 22 -6.368 6.948 -14.047 168 HD2 LYS 22 2HD LYS 22 -8.312 6.636 -15.079 169 HD3 LYS 22 3HD LYS 22 -8.437 5.008 -14.409 170 HE2 LYS 22 2HE LYS 22 -9.200 6.267 -12.253 171 HE3 LYS 22 3HE LYS 22 -9.550 7.582 -13.375 172 HZ1 LYS 22 3HZ LYS 22 -11.528 6.430 -13.305 173 HZ2 LYS 22 1HZ LYS 22 -10.784 4.914 -13.207 174 HZ3 LYS 22 2HZ LYS 22 -10.797 5.756 -14.674 175 H ASP 23 H ASP 23 -7.782 2.220 -14.316 176 HA ASP 23 HA ASP 23 -6.264 -0.074 -13.471 177 HB2 ASP 23 2HB ASP 23 -7.413 -1.246 -15.286 178 HB3 ASP 23 3HB ASP 23 -8.559 -0.314 -14.326 179 H THR 24 H THR 24 -4.249 -0.487 -14.056 180 HA THR 24 HA THR 24 -3.314 0.480 -16.679 181 HB THR 24 HB THR 24 -1.467 0.196 -14.323 182 HG1 THR 24 HG1 THR 24 -3.238 1.726 -13.897 183 HG21 THR 24 3HG2 THR 24 -0.008 1.577 -15.577 184 HG22 THR 24 1HG2 THR 24 -1.285 2.029 -16.706 185 HG23 THR 24 2HG2 THR 24 -0.640 0.387 -16.714 186 H PHE 25 H PHE 25 -2.382 -0.991 -17.966 187 HA PHE 25 HA PHE 25 -1.840 -3.651 -16.824 188 HB2 PHE 25 2HB PHE 25 -2.162 -4.450 -19.211 189 HB3 PHE 25 3HB PHE 25 -3.606 -3.847 -18.404 190 HD1 PHE 25 HD2 PHE 25 -1.041 -3.083 -20.930 191 HD2 PHE 25 HD1 PHE 25 -4.751 -1.923 -19.194 192 HE1 PHE 25 HE2 PHE 25 -1.411 -1.507 -22.782 193 HE2 PHE 25 HE1 PHE 25 -5.127 -0.346 -21.045 194 HZ PHE 25 HZ PHE 25 -3.456 -0.135 -22.841 195 H ILE 26 H ILE 26 0.036 -4.745 -17.394 196 HA ILE 26 HA ILE 26 1.979 -3.386 -19.094 197 HB ILE 26 HB ILE 26 2.390 -2.573 -16.778 198 HG12 ILE 26 2HG1 ILE 26 4.751 -4.272 -17.309 199 HG13 ILE 26 3HG1 ILE 26 4.188 -3.311 -18.672 200 HG21 ILE 26 1HG2 ILE 26 3.110 -5.441 -16.194 201 HG22 ILE 26 2HG2 ILE 26 3.236 -4.074 -15.089 202 HG23 ILE 26 3HG2 ILE 26 1.651 -4.630 -15.626 203 HD11 ILE 26 3HD1 ILE 26 4.178 -1.438 -16.751 204 HD12 ILE 26 1HD1 ILE 26 5.478 -2.476 -16.166 205 HD13 ILE 26 2HD1 ILE 26 5.567 -1.779 -17.784 206 H LYS 27 H LYS 27 3.658 -4.738 -19.856 207 HA LYS 27 HA LYS 27 2.884 -7.470 -20.180 208 HB2 LYS 27 2HB LYS 27 5.396 -6.003 -21.002 209 HB3 LYS 27 3HB LYS 27 5.004 -7.650 -21.479 210 HG2 LYS 27 2HG LYS 27 4.260 -6.535 -23.312 211 HG3 LYS 27 3HG LYS 27 2.789 -6.503 -22.339 212 HD2 LYS 27 2HD LYS 27 3.262 -4.308 -23.309 213 HD3 LYS 27 3HD LYS 27 3.352 -4.262 -21.547 214 HE2 LYS 27 2HE LYS 27 5.441 -3.514 -21.648 215 HE3 LYS 27 3HE LYS 27 5.925 -4.921 -22.594 216 HZ1 LYS 27 3HZ LYS 27 6.179 -2.536 -23.561 217 HZ2 LYS 27 1HZ LYS 27 4.539 -2.710 -23.939 218 HZ3 LYS 27 2HZ LYS 27 5.671 -3.804 -24.558 219 H CYS 28 H CYS 28 3.928 -9.330 -19.461 220 HA CYS 28 HA CYS 28 5.527 -8.950 -17.029 221 HB2 CYS 28 2HB CYS 28 3.642 -11.061 -17.974 222 HB3 CYS 28 3HB CYS 28 4.946 -11.538 -16.891 223 HA PRO 29 HA PRO 29 9.184 -10.666 -18.737 224 HB2 PRO 29 2HB PRO 29 10.115 -12.211 -16.707 225 HB3 PRO 29 3HB PRO 29 10.147 -10.444 -16.662 226 HG2 PRO 29 2HG PRO 29 8.195 -12.336 -15.409 227 HG3 PRO 29 3HG PRO 29 8.935 -10.877 -14.725 228 HD2 PRO 29 2HD PRO 29 6.418 -10.902 -15.722 229 HD3 PRO 29 3HD PRO 29 7.464 -9.471 -15.807 230 H LYS 30 H LYS 30 9.820 -12.350 -19.980 231 HA LYS 30 HA LYS 30 8.075 -14.669 -20.098 232 HB2 LYS 30 2HB LYS 30 10.109 -13.431 -21.882 233 HB3 LYS 30 3HB LYS 30 9.839 -15.161 -22.045 234 HG2 LYS 30 2HG LYS 30 7.288 -14.210 -22.018 235 HG3 LYS 30 3HG LYS 30 8.153 -12.908 -22.839 236 HD2 LYS 30 2HD LYS 30 9.160 -14.667 -24.333 237 HD3 LYS 30 3HD LYS 30 8.035 -15.819 -23.610 238 HE2 LYS 30 2HE LYS 30 6.357 -15.095 -24.883 239 HE3 LYS 30 3HE LYS 30 6.677 -13.414 -24.460 240 HZ1 LYS 30 3HZ LYS 30 7.024 -14.494 -26.910 241 HZ2 LYS 30 1HZ LYS 30 8.597 -14.533 -26.288 242 HZ3 LYS 30 2HZ LYS 30 7.755 -13.068 -26.367 243 H PHE 31 H PHE 31 10.432 -14.007 -18.102 244 HA PHE 31 HA PHE 31 12.188 -16.252 -18.430 245 HB2 PHE 31 2HB PHE 31 11.860 -14.056 -16.450 246 HB3 PHE 31 3HB PHE 31 12.688 -15.513 -15.911 247 HD1 PHE 31 HD2 PHE 31 12.761 -12.777 -18.389 248 HD2 PHE 31 HD1 PHE 31 14.903 -15.974 -16.570 249 HE1 PHE 31 HE2 PHE 31 14.839 -11.975 -19.433 250 HE2 PHE 31 HE1 PHE 31 16.985 -15.176 -17.611 251 HZ PHE 31 HZ PHE 31 16.954 -13.175 -19.046 252 H ASP 32 H ASP 32 12.279 -18.132 -17.207 253 HA ASP 32 HA ASP 32 9.831 -19.304 -16.499 254 HB2 ASP 32 2HB ASP 32 12.681 -20.055 -16.351 255 HB3 ASP 32 3HB ASP 32 11.632 -20.870 -15.195 256 H ASN 33 H ASN 33 11.886 -17.213 -14.757 257 HA ASN 33 HA ASN 33 11.286 -18.066 -12.118 258 HB2 ASN 33 2HB ASN 33 12.022 -15.255 -12.937 259 HB3 ASN 33 3HB ASN 33 12.321 -16.044 -11.391 260 HD21 ASN 33 1HD2 ASN 33 13.831 -14.961 -13.994 261 HD22 ASN 33 2HD2 ASN 33 15.147 -16.075 -14.100 262 H LYS 34 H LYS 34 9.716 -15.924 -14.395 263 HA LYS 34 HA LYS 34 7.305 -15.956 -12.815 264 HB2 LYS 34 2HB LYS 34 8.959 -13.476 -13.130 265 HB3 LYS 34 3HB LYS 34 7.207 -13.350 -13.047 266 HG2 LYS 34 2HG LYS 34 7.487 -13.246 -10.842 267 HG3 LYS 34 3HG LYS 34 7.785 -14.984 -10.924 268 HD2 LYS 34 2HD LYS 34 9.576 -14.001 -9.689 269 HD3 LYS 34 3HD LYS 34 10.211 -14.462 -11.270 270 HE2 LYS 34 2HE LYS 34 9.146 -11.764 -11.264 271 HE3 LYS 34 3HE LYS 34 10.417 -11.976 -10.060 272 HZ1 LYS 34 3HZ LYS 34 11.293 -13.226 -12.374 273 HZ2 LYS 34 1HZ LYS 34 11.880 -11.793 -11.693 274 HZ3 LYS 34 2HZ LYS 34 10.658 -11.735 -12.861 275 H LYS 35 H LYS 35 5.665 -16.182 -14.177 276 HA LYS 35 HA LYS 35 5.387 -14.632 -16.554 277 HB2 LYS 35 2HB LYS 35 5.526 -16.385 -18.201 278 HB3 LYS 35 3HB LYS 35 7.040 -16.333 -17.308 279 HG2 LYS 35 2HG LYS 35 6.612 -18.323 -16.208 280 HG3 LYS 35 3HG LYS 35 4.873 -18.223 -16.493 281 HD2 LYS 35 2HD LYS 35 5.096 -19.464 -18.323 282 HD3 LYS 35 3HD LYS 35 6.188 -18.262 -19.014 283 HE2 LYS 35 2HE LYS 35 8.049 -19.432 -18.451 284 HE3 LYS 35 3HE LYS 35 7.328 -20.078 -16.977 285 HZ1 LYS 35 3HZ LYS 35 7.638 -21.363 -19.421 286 HZ2 LYS 35 1HZ LYS 35 5.976 -21.120 -19.217 287 HZ3 LYS 35 2HZ LYS 35 6.860 -21.948 -18.037 288 H CYS 36 H CYS 36 3.457 -15.523 -17.889 289 HA CYS 36 HA CYS 36 1.371 -16.237 -15.959 290 HB2 CYS 36 2HB CYS 36 1.183 -15.069 -18.743 291 HB3 CYS 36 3HB CYS 36 -0.200 -15.443 -17.719 292 H THR 37 H THR 37 0.694 -18.264 -15.876 293 HA THR 37 HA THR 37 1.169 -20.029 -18.166 294 HB THR 37 HB THR 37 0.384 -21.795 -16.395 295 HG1 THR 37 HG1 THR 37 1.375 -19.780 -14.653 296 HG21 THR 37 3HG2 THR 37 2.727 -21.891 -15.500 297 HG22 THR 37 1HG2 THR 37 3.039 -20.365 -16.326 298 HG23 THR 37 2HG2 THR 37 2.615 -21.801 -17.258 299 H LYS 38 H LYS 38 -1.384 -18.689 -16.186 300 HA LYS 38 HA LYS 38 -3.348 -19.784 -18.075 301 HB2 LYS 38 2HB LYS 38 -3.087 -20.648 -15.431 302 HB3 LYS 38 3HB LYS 38 -4.447 -19.533 -15.401 303 HG2 LYS 38 2HG LYS 38 -5.286 -20.876 -17.444 304 HG3 LYS 38 3HG LYS 38 -4.146 -22.105 -16.892 305 HD2 LYS 38 2HD LYS 38 -5.235 -22.134 -14.703 306 HD3 LYS 38 3HD LYS 38 -6.368 -20.894 -15.246 307 HE2 LYS 38 2HE LYS 38 -7.562 -22.875 -15.506 308 HE3 LYS 38 3HE LYS 38 -6.950 -22.548 -17.127 309 HZ1 LYS 38 3HZ LYS 38 -5.830 -24.446 -17.115 310 HZ2 LYS 38 1HZ LYS 38 -6.615 -24.857 -15.674 311 HZ3 LYS 38 2HZ LYS 38 -5.103 -24.102 -15.627 312 H ASP 39 H ASP 39 -5.436 -18.607 -18.004 313 HA ASP 39 HA ASP 39 -4.952 -15.774 -17.987 314 HB2 ASP 39 2HB ASP 39 -7.159 -15.563 -18.924 315 HB3 ASP 39 3HB ASP 39 -6.364 -16.929 -19.700 316 H ASN 40 H ASN 40 -6.326 -14.225 -16.868 317 HA ASN 40 HA ASN 40 -7.262 -13.325 -15.001 318 HB2 ASN 40 2HB ASN 40 -8.883 -15.362 -15.561 319 HB3 ASN 40 3HB ASN 40 -8.251 -15.965 -14.032 320 HD21 ASN 40 1HD2 ASN 40 -8.459 -14.567 -12.160 321 HD22 ASN 40 2HD2 ASN 40 -9.817 -13.504 -12.052 322 H ASN 41 H ASN 41 -4.605 -14.846 -15.015 323 HA ASN 41 HA ASN 41 -4.129 -15.969 -12.501 324 HB2 ASN 41 2HB ASN 41 -2.601 -15.296 -14.789 325 HB3 ASN 41 3HB ASN 41 -1.793 -14.568 -13.404 326 HD21 ASN 41 1HD2 ASN 41 -0.975 -16.792 -15.106 327 HD22 ASN 41 2HD2 ASN 41 -0.736 -18.137 -14.049 328 H LYS 42 H LYS 42 -2.097 -14.688 -11.265 329 HA LYS 42 HA LYS 42 -3.066 -12.002 -10.599 330 HB2 LYS 42 2HB LYS 42 -3.511 -14.259 -8.983 331 HB3 LYS 42 3HB LYS 42 -2.200 -13.377 -8.212 332 HG2 LYS 42 2HG LYS 42 -4.140 -12.526 -7.239 333 HG3 LYS 42 3HG LYS 42 -3.679 -11.314 -8.437 334 HD2 LYS 42 2HD LYS 42 -6.049 -11.671 -8.587 335 HD3 LYS 42 3HD LYS 42 -5.288 -12.361 -10.023 336 HE2 LYS 42 2HE LYS 42 -5.653 -14.537 -9.328 337 HE3 LYS 42 3HE LYS 42 -5.787 -14.082 -7.631 338 HZ1 LYS 42 3HZ LYS 42 -7.963 -14.437 -8.121 339 HZ2 LYS 42 1HZ LYS 42 -7.806 -13.989 -9.745 340 HZ3 LYS 42 2HZ LYS 42 -7.874 -12.801 -8.543 341 H CYS 43 H CYS 43 -1.501 -10.598 -9.780 342 HA CYS 43 HA CYS 43 1.250 -11.611 -9.650 343 HB2 CYS 43 2HB CYS 43 0.744 -8.971 -10.962 344 HB3 CYS 43 3HB CYS 43 2.097 -10.078 -11.166 345 H THR 44 H THR 44 2.715 -9.623 -8.943 346 HA THR 44 HA THR 44 1.324 -8.105 -6.846 347 HB THR 44 HB THR 44 3.912 -8.747 -5.867 348 HG1 THR 44 HG1 THR 44 4.077 -10.867 -6.122 349 HG21 THR 44 3HG2 THR 44 2.141 -10.188 -4.347 350 HG22 THR 44 1HG2 THR 44 1.106 -8.952 -5.061 351 HG23 THR 44 2HG2 THR 44 2.523 -8.481 -4.122 352 H VAL 45 H VAL 45 2.083 -6.065 -6.485 353 HA VAL 45 HA VAL 45 4.596 -5.220 -7.690 354 HB VAL 45 HB VAL 45 1.967 -3.919 -8.416 355 HG11 VAL 45 1HG1 VAL 45 4.786 -3.176 -9.194 356 HG12 VAL 45 2HG1 VAL 45 3.313 -2.416 -9.799 357 HG13 VAL 45 3HG1 VAL 45 3.743 -2.276 -8.094 358 HG21 VAL 45 3HG2 VAL 45 2.565 -4.576 -10.719 359 HG22 VAL 45 1HG2 VAL 45 3.958 -5.452 -10.085 360 HG23 VAL 45 2HG2 VAL 45 2.325 -5.966 -9.660 361 H ASP 46 H ASP 46 5.626 -3.869 -6.373 362 HA ASP 46 HA ASP 46 4.040 -2.356 -4.401 363 HB2 ASP 46 2HB ASP 46 6.057 -4.311 -3.944 364 HB3 ASP 46 3HB ASP 46 6.705 -2.749 -3.454 365 H THR 47 H THR 47 4.383 -0.222 -4.301 366 HA THR 47 HA THR 47 6.233 0.965 -6.187 367 HB THR 47 HB THR 47 4.971 2.922 -4.507 368 HG1 THR 47 HG1 THR 47 3.320 1.545 -4.047 369 HG21 THR 47 3HG2 THR 47 3.957 3.609 -6.653 370 HG22 THR 47 1HG2 THR 47 4.561 2.127 -7.393 371 HG23 THR 47 2HG2 THR 47 5.694 3.336 -6.788 372 H TYR 48 H TYR 48 6.193 0.167 -2.872 373 HA TYR 48 HA TYR 48 8.091 2.193 -2.062 374 HB2 TYR 48 2HB TYR 48 6.363 0.297 -0.748 375 HB3 TYR 48 3HB TYR 48 8.001 0.154 -0.119 376 HD1 TYR 48 HD2 TYR 48 9.098 2.125 0.922 377 HD2 TYR 48 HD1 TYR 48 5.010 2.198 -0.254 378 HE1 TYR 48 HE2 TYR 48 8.732 4.103 2.337 379 HE2 TYR 48 HE1 TYR 48 4.633 4.177 1.157 380 HH TYR 48 HH TYR 48 6.866 6.132 2.216 381 H ASN 49 H ASN 49 8.106 -1.269 -2.771 382 HA ASN 49 HA ASN 49 11.027 -1.301 -2.476 383 HB2 ASN 49 2HB ASN 49 8.902 -3.397 -2.330 384 HB3 ASN 49 3HB ASN 49 10.521 -3.875 -2.835 385 HD21 ASN 49 1HD2 ASN 49 9.669 -5.025 -0.641 386 HD22 ASN 49 2HD2 ASN 49 10.399 -4.352 0.773 387 H ASN 50 H ASN 50 8.720 -0.889 -4.812 388 HA ASN 50 HA ASN 50 8.669 -1.047 -7.084 389 HB2 ASN 50 2HB ASN 50 10.929 0.227 -6.443 390 HB3 ASN 50 3HB ASN 50 11.639 -1.178 -7.233 391 HD21 ASN 50 1HD2 ASN 50 12.318 -0.395 -9.117 392 HD22 ASN 50 2HD2 ASN 50 11.326 0.424 -10.271 393 H ALA 51 H ALA 51 8.801 -3.546 -5.520 394 HA ALA 51 HA ALA 51 10.189 -5.342 -7.374 395 HB1 ALA 51 1HB ALA 51 9.618 -7.086 -5.642 396 HB2 ALA 51 2HB ALA 51 10.728 -5.818 -5.120 397 HB3 ALA 51 3HB ALA 51 9.035 -5.766 -4.629 398 H VAL 52 H VAL 52 9.102 -6.355 -8.921 399 HA VAL 52 HA VAL 52 6.194 -6.716 -8.594 400 HB VAL 52 HB VAL 52 6.400 -5.109 -10.300 401 HG11 VAL 52 1HG1 VAL 52 8.744 -6.739 -11.192 402 HG12 VAL 52 2HG1 VAL 52 7.923 -5.663 -12.325 403 HG13 VAL 52 3HG1 VAL 52 8.647 -5.012 -10.854 404 HG21 VAL 52 3HG2 VAL 52 5.365 -6.140 -12.108 405 HG22 VAL 52 1HG2 VAL 52 6.334 -7.605 -11.954 406 HG23 VAL 52 2HG2 VAL 52 5.057 -7.265 -10.786 407 H ASP 53 H ASP 53 5.362 -8.696 -8.989 408 HA ASP 53 HA ASP 53 7.061 -10.722 -10.251 409 HB2 ASP 53 2HB ASP 53 6.866 -10.622 -7.536 410 HB3 ASP 53 3HB ASP 53 5.524 -11.693 -7.929 411 H CYS 54 H CYS 54 5.987 -12.065 -11.581 412 HA CYS 54 HA CYS 54 3.064 -11.772 -11.702 413 HB2 CYS 54 2HB CYS 54 5.042 -12.653 -13.814 414 HB3 CYS 54 3HB CYS 54 3.296 -12.616 -14.036 415 H ASP 55 H ASP 55 1.730 -13.579 -11.889 416 HA ASP 55 HA ASP 55 2.275 -15.776 -10.338 417 HB2 ASP 55 2HB ASP 55 0.145 -14.916 -11.959 418 HB3 ASP 55 3HB ASP 55 0.522 -16.551 -12.497 Start of MODEL 5 1 H1 ALA 1 H ALA 1 -0.622 0.976 -0.099 2 HA ALA 1 HA ALA 1 1.245 0.772 -1.408 3 HB1 ALA 1 1HB ALA 1 3.088 0.441 -0.144 4 HB2 ALA 1 2HB ALA 1 1.910 0.432 1.169 5 HB3 ALA 1 3HB ALA 1 2.503 -1.091 0.505 6 H LYS 2 H LYS 2 -0.227 -2.190 -0.354 7 HA LYS 2 HA LYS 2 1.168 -3.736 -2.408 8 HB2 LYS 2 2HB LYS 2 -0.242 -4.359 0.092 9 HB3 LYS 2 3HB LYS 2 -0.592 -5.473 -1.223 10 HG2 LYS 2 2HG LYS 2 1.502 -6.332 -1.241 11 HG3 LYS 2 3HG LYS 2 2.252 -4.807 -0.763 12 HD2 LYS 2 2HD LYS 2 1.519 -5.123 1.522 13 HD3 LYS 2 3HD LYS 2 0.648 -6.589 1.070 14 HE2 LYS 2 2HE LYS 2 3.327 -6.852 0.173 15 HE3 LYS 2 3HE LYS 2 3.370 -6.299 1.847 16 HZ1 LYS 2 3HZ LYS 2 1.494 -8.207 1.954 17 HZ2 LYS 2 1HZ LYS 2 3.131 -8.465 2.296 18 HZ3 LYS 2 2HZ LYS 2 2.518 -8.840 0.765 19 H TYR 3 H TYR 3 0.315 -3.907 -4.364 20 HA TYR 3 HA TYR 3 -2.596 -3.576 -4.667 21 HB2 TYR 3 2HB TYR 3 -0.362 -3.051 -6.636 22 HB3 TYR 3 3HB TYR 3 -2.075 -2.945 -7.026 23 HD1 TYR 3 HD2 TYR 3 -3.414 -1.428 -5.198 24 HD2 TYR 3 HD1 TYR 3 0.694 -1.047 -6.242 25 HE1 TYR 3 HE2 TYR 3 -3.445 0.912 -4.443 26 HE2 TYR 3 HE1 TYR 3 0.674 1.294 -5.489 27 HH TYR 3 HH TYR 3 -2.201 2.718 -3.991 28 H THR 4 H THR 4 -3.775 -5.172 -5.536 29 HA THR 4 HA THR 4 -2.343 -7.585 -6.419 30 HB THR 4 HB THR 4 -3.790 -7.985 -4.512 31 HG1 THR 4 HG1 THR 4 -4.368 -9.815 -5.401 32 HG21 THR 4 3HG2 THR 4 -6.190 -7.636 -4.607 33 HG22 THR 4 1HG2 THR 4 -6.059 -7.003 -6.247 34 HG23 THR 4 2HG2 THR 4 -5.354 -6.111 -4.899 35 H GLY 5 H GLY 5 -2.511 -8.270 -8.463 36 HA2 GLY 5 2HA GLY 5 -4.756 -7.307 -10.100 37 HA3 GLY 5 3HA GLY 5 -3.112 -7.054 -10.667 38 H LYS 6 H LYS 6 -5.037 -8.484 -12.113 39 HA LYS 6 HA LYS 6 -4.016 -11.242 -11.915 40 HB2 LYS 6 2HB LYS 6 -6.595 -10.423 -13.248 41 HB3 LYS 6 3HB LYS 6 -6.073 -12.045 -12.809 42 HG2 LYS 6 2HG LYS 6 -6.172 -11.318 -10.408 43 HG3 LYS 6 3HG LYS 6 -6.942 -9.832 -10.969 44 HD2 LYS 6 2HD LYS 6 -8.305 -11.965 -12.207 45 HD3 LYS 6 3HD LYS 6 -8.103 -12.412 -10.511 46 HE2 LYS 6 2HE LYS 6 -9.083 -9.688 -11.290 47 HE3 LYS 6 3HE LYS 6 -10.188 -11.058 -11.199 48 HZ1 LYS 6 3HZ LYS 6 -9.150 -9.483 -9.100 49 HZ2 LYS 6 1HZ LYS 6 -8.683 -11.093 -8.873 50 HZ3 LYS 6 2HZ LYS 6 -10.320 -10.702 -9.032 51 H CYS 7 H CYS 7 -3.325 -12.280 -13.771 52 HA CYS 7 HA CYS 7 -3.093 -10.593 -16.177 53 HB2 CYS 7 2HB CYS 7 -0.879 -11.221 -16.506 54 HB3 CYS 7 3HB CYS 7 -0.960 -11.058 -14.755 55 H THR 8 H THR 8 -2.793 -11.825 -18.197 56 HA THR 8 HA THR 8 -4.349 -14.324 -18.117 57 HB THR 8 HB THR 8 -4.260 -13.457 -20.773 58 HG1 THR 8 HG1 THR 8 -4.652 -11.294 -18.962 59 HG21 THR 8 3HG2 THR 8 -6.687 -12.849 -20.287 60 HG22 THR 8 1HG2 THR 8 -6.356 -13.313 -18.618 61 HG23 THR 8 2HG2 THR 8 -6.193 -14.500 -19.913 62 H LYS 9 H LYS 9 -3.732 -16.070 -19.448 63 HA LYS 9 HA LYS 9 -0.893 -16.381 -19.712 64 HB2 LYS 9 2HB LYS 9 -2.113 -18.300 -19.010 65 HB3 LYS 9 3HB LYS 9 -3.239 -18.163 -20.355 66 HG2 LYS 9 2HG LYS 9 -1.429 -18.721 -21.913 67 HG3 LYS 9 3HG LYS 9 -0.323 -18.893 -20.548 68 HD2 LYS 9 2HD LYS 9 -2.376 -20.509 -19.786 69 HD3 LYS 9 3HD LYS 9 -2.403 -20.714 -21.539 70 HE2 LYS 9 2HE LYS 9 0.061 -21.013 -19.828 71 HE3 LYS 9 3HE LYS 9 -0.962 -22.355 -20.336 72 HZ1 LYS 9 3HZ LYS 9 0.579 -22.390 -21.985 73 HZ2 LYS 9 1HZ LYS 9 0.888 -20.728 -21.911 74 HZ3 LYS 9 2HZ LYS 9 -0.506 -21.295 -22.684 75 H SER 10 H SER 10 -3.485 -15.465 -21.792 76 HA SER 10 HA SER 10 -2.071 -16.069 -24.240 77 HB2 SER 10 2HB SER 10 -3.990 -15.070 -25.364 78 HB3 SER 10 3HB SER 10 -4.546 -16.184 -24.116 79 HG SER 10 HG SER 10 -5.296 -13.739 -24.381 80 H LYS 11 H LYS 11 -3.016 -13.146 -22.457 81 HA LYS 11 HA LYS 11 -1.445 -11.473 -24.238 82 HB2 LYS 11 2HB LYS 11 -3.561 -11.069 -22.271 83 HB3 LYS 11 3HB LYS 11 -2.270 -9.884 -22.123 84 HG2 LYS 11 2HG LYS 11 -3.812 -10.493 -24.637 85 HG3 LYS 11 3HG LYS 11 -4.056 -9.098 -23.583 86 HD2 LYS 11 2HD LYS 11 -1.637 -8.510 -24.009 87 HD3 LYS 11 3HD LYS 11 -1.642 -9.754 -25.261 88 HE2 LYS 11 2HE LYS 11 -2.683 -8.411 -26.702 89 HE3 LYS 11 3HE LYS 11 -3.915 -7.984 -25.515 90 HZ1 LYS 11 3HZ LYS 11 -1.732 -6.446 -26.425 91 HZ2 LYS 11 1HZ LYS 11 -1.584 -6.686 -24.757 92 HZ3 LYS 11 2HZ LYS 11 -2.990 -5.992 -25.389 93 H ASN 12 H ASN 12 -0.990 -13.217 -21.366 94 HA ASN 12 HA ASN 12 0.633 -13.252 -19.761 95 HB2 ASN 12 2HB ASN 12 1.869 -13.768 -21.926 96 HB3 ASN 12 3HB ASN 12 2.413 -12.093 -21.906 97 HD21 ASN 12 1HD2 ASN 12 4.274 -14.015 -21.900 98 HD22 ASN 12 2HD2 ASN 12 5.035 -14.132 -20.354 99 H GLU 13 H GLU 13 -0.949 -10.839 -19.869 100 HA GLU 13 HA GLU 13 0.991 -8.967 -18.684 101 HB2 GLU 13 2HB GLU 13 0.006 -7.119 -19.698 102 HB3 GLU 13 3HB GLU 13 -0.016 -8.322 -20.979 103 HG2 GLU 13 2HG GLU 13 -2.407 -8.818 -19.927 104 HG3 GLU 13 3HG GLU 13 -2.250 -7.127 -19.455 105 H CYS 14 H CYS 14 0.446 -8.071 -16.758 106 HA CYS 14 HA CYS 14 -1.975 -9.105 -15.483 107 HB2 CYS 14 2HB CYS 14 0.464 -9.190 -14.509 108 HB3 CYS 14 3HB CYS 14 0.118 -7.533 -14.027 109 H LYS 15 H LYS 15 -3.415 -7.758 -14.342 110 HA LYS 15 HA LYS 15 -3.321 -4.923 -15.143 111 HB2 LYS 15 2HB LYS 15 -5.680 -6.789 -14.904 112 HB3 LYS 15 3HB LYS 15 -5.856 -5.041 -14.985 113 HG2 LYS 15 2HG LYS 15 -4.169 -5.851 -17.117 114 HG3 LYS 15 3HG LYS 15 -5.593 -6.894 -17.109 115 HD2 LYS 15 2HD LYS 15 -5.942 -3.947 -16.796 116 HD3 LYS 15 3HD LYS 15 -5.616 -4.611 -18.399 117 HE2 LYS 15 2HE LYS 15 -7.746 -5.845 -16.714 118 HE3 LYS 15 3HE LYS 15 -8.078 -4.321 -17.536 119 HZ1 LYS 15 3HZ LYS 15 -8.551 -5.538 -19.313 120 HZ2 LYS 15 1HZ LYS 15 -7.953 -6.955 -18.608 121 HZ3 LYS 15 2HZ LYS 15 -6.907 -5.914 -19.435 122 H TYR 16 H TYR 16 -3.215 -3.520 -13.524 123 HA TYR 16 HA TYR 16 -4.445 -4.184 -10.953 124 HB2 TYR 16 2HB TYR 16 -2.464 -3.494 -9.709 125 HB3 TYR 16 3HB TYR 16 -2.072 -4.835 -10.779 126 HD1 TYR 16 HD2 TYR 16 -1.630 -1.236 -10.182 127 HD2 TYR 16 HD1 TYR 16 -0.555 -4.547 -12.629 128 HE1 TYR 16 HE2 TYR 16 0.205 0.083 -11.152 129 HE2 TYR 16 HE1 TYR 16 1.284 -3.237 -13.605 130 HH TYR 16 HH TYR 16 2.647 -0.800 -12.398 131 H LYS 17 H LYS 17 -4.573 -2.270 -9.505 132 HA LYS 17 HA LYS 17 -4.954 0.179 -11.096 133 HB2 LYS 17 2HB LYS 17 -6.655 -1.205 -9.232 134 HB3 LYS 17 3HB LYS 17 -6.326 0.419 -8.642 135 HG2 LYS 17 2HG LYS 17 -7.097 1.345 -10.773 136 HG3 LYS 17 3HG LYS 17 -7.442 -0.288 -11.350 137 HD2 LYS 17 2HD LYS 17 -8.647 0.505 -8.762 138 HD3 LYS 17 3HD LYS 17 -9.293 1.275 -10.213 139 HE2 LYS 17 2HE LYS 17 -9.314 -1.199 -11.110 140 HE3 LYS 17 3HE LYS 17 -9.341 -1.590 -9.392 141 HZ1 LYS 17 3HZ LYS 17 -11.491 -1.131 -9.339 142 HZ2 LYS 17 1HZ LYS 17 -11.476 -0.817 -11.002 143 HZ3 LYS 17 2HZ LYS 17 -11.216 0.440 -9.902 144 H ASN 18 H ASN 18 -4.235 2.148 -10.306 145 HA ASN 18 HA ASN 18 -2.148 1.951 -8.268 146 HB2 ASN 18 2HB ASN 18 -2.492 4.539 -9.602 147 HB3 ASN 18 3HB ASN 18 -1.045 3.555 -9.408 148 HD21 ASN 18 1HD2 ASN 18 -3.154 4.798 -11.596 149 HD22 ASN 18 2HD2 ASN 18 -2.870 3.720 -12.916 150 H ASP 19 H ASP 19 -1.950 4.411 -7.247 151 HA ASP 19 HA ASP 19 -4.072 4.499 -5.356 152 HB2 ASP 19 2HB ASP 19 -1.528 5.268 -5.218 153 HB3 ASP 19 3HB ASP 19 -2.227 6.821 -5.671 154 H ALA 20 H ALA 20 -3.684 5.832 -8.449 155 HA ALA 20 HA ALA 20 -5.456 8.090 -7.985 156 HB1 ALA 20 1HB ALA 20 -4.124 7.086 -10.496 157 HB2 ALA 20 2HB ALA 20 -5.119 8.539 -10.394 158 HB3 ALA 20 3HB ALA 20 -3.608 8.440 -9.491 159 H GLY 21 H GLY 21 -5.853 4.841 -8.466 160 HA2 GLY 21 2HA GLY 21 -7.814 3.645 -8.762 161 HA3 GLY 21 3HA GLY 21 -8.649 5.160 -9.072 162 H LYS 22 H LYS 22 -6.009 5.151 -11.030 163 HA LYS 22 HA LYS 22 -7.610 4.537 -13.355 164 HB2 LYS 22 2HB LYS 22 -4.699 5.337 -13.193 165 HB3 LYS 22 3HB LYS 22 -5.702 5.338 -14.638 166 HG2 LYS 22 2HG LYS 22 -6.890 7.205 -13.974 167 HG3 LYS 22 3HG LYS 22 -6.489 6.980 -12.270 168 HD2 LYS 22 2HD LYS 22 -5.136 8.762 -12.850 169 HD3 LYS 22 3HD LYS 22 -4.045 7.392 -13.068 170 HE2 LYS 22 2HE LYS 22 -3.748 8.703 -14.988 171 HE3 LYS 22 3HE LYS 22 -4.807 7.391 -15.502 172 HZ1 LYS 22 3HZ LYS 22 -5.627 9.462 -16.352 173 HZ2 LYS 22 1HZ LYS 22 -5.630 10.159 -14.810 174 HZ3 LYS 22 2HZ LYS 22 -6.703 8.904 -15.172 175 H ASP 23 H ASP 23 -7.570 2.719 -14.524 176 HA ASP 23 HA ASP 23 -6.301 0.393 -13.552 177 HB2 ASP 23 2HB ASP 23 -7.590 0.967 -16.227 178 HB3 ASP 23 3HB ASP 23 -7.068 -0.632 -15.704 179 H THR 24 H THR 24 -4.269 -0.242 -13.759 180 HA THR 24 HA THR 24 -2.731 0.672 -16.101 181 HB THR 24 HB THR 24 -1.715 0.404 -13.265 182 HG1 THR 24 HG1 THR 24 -2.126 2.648 -14.973 183 HG21 THR 24 3HG2 THR 24 -0.268 1.127 -15.815 184 HG22 THR 24 1HG2 THR 24 -0.008 -0.311 -14.828 185 HG23 THR 24 2HG2 THR 24 0.407 1.281 -14.193 186 H PHE 25 H PHE 25 -2.329 -1.038 -17.336 187 HA PHE 25 HA PHE 25 -1.746 -3.613 -16.031 188 HB2 PHE 25 2HB PHE 25 -2.320 -4.548 -18.356 189 HB3 PHE 25 3HB PHE 25 -3.650 -3.944 -17.372 190 HD1 PHE 25 HD2 PHE 25 -1.541 -3.298 -20.302 191 HD2 PHE 25 HD1 PHE 25 -4.882 -1.993 -18.010 192 HE1 PHE 25 HE2 PHE 25 -2.205 -1.795 -22.133 193 HE2 PHE 25 HE1 PHE 25 -5.552 -0.488 -19.838 194 HZ PHE 25 HZ PHE 25 -4.213 -0.387 -21.902 195 H ILE 26 H ILE 26 -0.043 -4.899 -16.840 196 HA ILE 26 HA ILE 26 1.787 -3.677 -18.757 197 HB ILE 26 HB ILE 26 2.497 -2.892 -16.500 198 HG12 ILE 26 2HG1 ILE 26 4.870 -3.512 -16.778 199 HG13 ILE 26 3HG1 ILE 26 4.399 -4.795 -17.887 200 HG21 ILE 26 1HG2 ILE 26 1.799 -4.831 -15.206 201 HG22 ILE 26 2HG2 ILE 26 3.012 -5.823 -16.014 202 HG23 ILE 26 3HG2 ILE 26 3.514 -4.502 -14.958 203 HD11 ILE 26 3HD1 ILE 26 3.348 -2.203 -18.664 204 HD12 ILE 26 1HD1 ILE 26 5.109 -2.236 -18.573 205 HD13 ILE 26 2HD1 ILE 26 4.257 -3.389 -19.601 206 H LYS 27 H LYS 27 3.191 -5.135 -19.761 207 HA LYS 27 HA LYS 27 2.280 -7.882 -19.715 208 HB2 LYS 27 2HB LYS 27 4.229 -7.989 -21.511 209 HB3 LYS 27 3HB LYS 27 2.656 -7.305 -21.899 210 HG2 LYS 27 2HG LYS 27 4.514 -5.931 -22.722 211 HG3 LYS 27 3HG LYS 27 3.499 -5.069 -21.563 212 HD2 LYS 27 2HD LYS 27 5.107 -5.288 -19.845 213 HD3 LYS 27 3HD LYS 27 6.024 -6.491 -20.756 214 HE2 LYS 27 2HE LYS 27 6.104 -4.439 -22.490 215 HE3 LYS 27 3HE LYS 27 6.004 -3.545 -20.974 216 HZ1 LYS 27 3HZ LYS 27 7.965 -5.723 -21.328 217 HZ2 LYS 27 1HZ LYS 27 7.992 -4.442 -20.223 218 HZ3 LYS 27 2HZ LYS 27 8.303 -4.154 -21.860 219 H CYS 28 H CYS 28 3.546 -9.690 -19.257 220 HA CYS 28 HA CYS 28 5.827 -9.141 -17.495 221 HB2 CYS 28 2HB CYS 28 3.675 -11.131 -17.522 222 HB3 CYS 28 3HB CYS 28 5.266 -11.822 -17.219 223 HA PRO 29 HA PRO 29 8.779 -10.917 -20.210 224 HB2 PRO 29 2HB PRO 29 10.424 -12.215 -18.484 225 HB3 PRO 29 3HB PRO 29 10.369 -10.453 -18.617 226 HG2 PRO 29 2HG PRO 29 9.061 -12.242 -16.604 227 HG3 PRO 29 3HG PRO 29 9.905 -10.703 -16.352 228 HD2 PRO 29 2HD PRO 29 7.205 -10.888 -16.426 229 HD3 PRO 29 3HD PRO 29 8.079 -9.452 -16.996 230 H LYS 30 H LYS 30 9.439 -12.834 -21.228 231 HA LYS 30 HA LYS 30 7.658 -15.086 -20.787 232 HB2 LYS 30 2HB LYS 30 9.453 -14.178 -22.979 233 HB3 LYS 30 3HB LYS 30 9.139 -15.904 -22.857 234 HG2 LYS 30 2HG LYS 30 6.667 -15.276 -22.809 235 HG3 LYS 30 3HG LYS 30 7.191 -13.680 -23.350 236 HD2 LYS 30 2HD LYS 30 8.466 -14.988 -25.186 237 HD3 LYS 30 3HD LYS 30 7.382 -16.316 -24.764 238 HE2 LYS 30 2HE LYS 30 5.531 -14.482 -25.027 239 HE3 LYS 30 3HE LYS 30 6.759 -13.666 -25.992 240 HZ1 LYS 30 3HZ LYS 30 5.586 -16.348 -26.471 241 HZ2 LYS 30 1HZ LYS 30 6.938 -15.760 -27.303 242 HZ3 LYS 30 2HZ LYS 30 5.447 -14.974 -27.449 243 H PHE 31 H PHE 31 10.275 -14.230 -19.234 244 HA PHE 31 HA PHE 31 11.929 -16.565 -19.461 245 HB2 PHE 31 2HB PHE 31 11.885 -14.214 -17.580 246 HB3 PHE 31 3HB PHE 31 12.977 -15.572 -17.333 247 HD1 PHE 31 HD1 PHE 31 14.301 -16.258 -19.560 248 HD2 PHE 31 HD2 PHE 31 12.712 -12.403 -18.705 249 HE1 PHE 31 HE1 PHE 31 15.908 -15.251 -21.128 250 HE2 PHE 31 HE2 PHE 31 14.315 -11.390 -20.273 251 HZ PHE 31 HZ PHE 31 15.915 -12.815 -21.487 252 H ASP 32 H ASP 32 12.397 -17.990 -17.618 253 HA ASP 32 HA ASP 32 9.989 -19.093 -16.559 254 HB2 ASP 32 2HB ASP 32 12.908 -19.748 -16.271 255 HB3 ASP 32 3HB ASP 32 11.706 -20.555 -15.268 256 H ASN 33 H ASN 33 12.141 -16.681 -15.494 257 HA ASN 33 HA ASN 33 11.887 -17.010 -12.690 258 HB2 ASN 33 2HB ASN 33 13.615 -15.610 -13.949 259 HB3 ASN 33 3HB ASN 33 12.360 -14.384 -14.097 260 HD21 ASN 33 1HD2 ASN 33 11.604 -13.344 -12.235 261 HD22 ASN 33 2HD2 ASN 33 12.518 -13.339 -10.769 262 H LYS 34 H LYS 34 9.960 -15.388 -15.123 263 HA LYS 34 HA LYS 34 7.740 -15.203 -13.295 264 HB2 LYS 34 2HB LYS 34 9.442 -12.969 -13.553 265 HB3 LYS 34 3HB LYS 34 7.995 -12.590 -14.479 266 HG2 LYS 34 2HG LYS 34 7.067 -11.966 -12.566 267 HG3 LYS 34 3HG LYS 34 7.024 -13.673 -12.121 268 HD2 LYS 34 2HD LYS 34 8.079 -12.433 -10.349 269 HD3 LYS 34 3HD LYS 34 9.299 -13.422 -11.154 270 HE2 LYS 34 2HE LYS 34 10.143 -11.530 -12.345 271 HE3 LYS 34 3HE LYS 34 8.804 -10.521 -11.799 272 HZ1 LYS 34 3HZ LYS 34 9.992 -9.966 -10.033 273 HZ2 LYS 34 1HZ LYS 34 11.275 -10.936 -10.558 274 HZ3 LYS 34 2HZ LYS 34 10.083 -11.584 -9.548 275 H LYS 35 H LYS 35 5.998 -15.759 -14.410 276 HA LYS 35 HA LYS 35 5.345 -14.640 -16.944 277 HB2 LYS 35 2HB LYS 35 5.448 -16.633 -18.310 278 HB3 LYS 35 3HB LYS 35 7.043 -16.304 -17.647 279 HG2 LYS 35 2HG LYS 35 6.947 -18.103 -16.184 280 HG3 LYS 35 3HG LYS 35 5.188 -18.214 -16.284 281 HD2 LYS 35 2HD LYS 35 5.369 -19.718 -17.910 282 HD3 LYS 35 3HD LYS 35 6.253 -18.554 -18.900 283 HE2 LYS 35 2HE LYS 35 8.312 -19.356 -18.238 284 HE3 LYS 35 3HE LYS 35 7.685 -20.022 -16.731 285 HZ1 LYS 35 3HZ LYS 35 6.560 -21.228 -19.090 286 HZ2 LYS 35 1HZ LYS 35 7.203 -21.955 -17.705 287 HZ3 LYS 35 2HZ LYS 35 8.231 -21.454 -18.951 288 H CYS 36 H CYS 36 3.340 -15.746 -17.871 289 HA CYS 36 HA CYS 36 1.568 -16.383 -15.626 290 HB2 CYS 36 2HB CYS 36 1.029 -15.430 -18.440 291 HB3 CYS 36 3HB CYS 36 -0.248 -15.943 -17.341 292 H THR 37 H THR 37 1.018 -18.418 -15.268 293 HA THR 37 HA THR 37 1.523 -20.445 -17.285 294 HB THR 37 HB THR 37 0.749 -22.019 -15.434 295 HG1 THR 37 HG1 THR 37 0.674 -21.091 -13.350 296 HG21 THR 37 3HG2 THR 37 3.097 -21.720 -15.886 297 HG22 THR 37 1HG2 THR 37 2.857 -21.732 -14.140 298 HG23 THR 37 2HG2 THR 37 3.121 -20.205 -14.983 299 H LYS 38 H LYS 38 -1.187 -18.874 -15.727 300 HA LYS 38 HA LYS 38 -2.978 -20.063 -17.692 301 HB2 LYS 38 2HB LYS 38 -2.853 -21.107 -15.117 302 HB3 LYS 38 3HB LYS 38 -4.243 -20.029 -15.071 303 HG2 LYS 38 2HG LYS 38 -5.218 -21.997 -15.722 304 HG3 LYS 38 3HG LYS 38 -4.898 -21.241 -17.285 305 HD2 LYS 38 2HD LYS 38 -2.976 -22.594 -17.640 306 HD3 LYS 38 3HD LYS 38 -2.997 -23.174 -15.973 307 HE2 LYS 38 2HE LYS 38 -5.519 -23.770 -17.090 308 HE3 LYS 38 3HE LYS 38 -4.306 -24.251 -18.276 309 HZ1 LYS 38 3HZ LYS 38 -4.474 -26.115 -16.967 310 HZ2 LYS 38 1HZ LYS 38 -4.717 -25.243 -15.538 311 HZ3 LYS 38 2HZ LYS 38 -3.175 -25.324 -16.227 312 H ASP 39 H ASP 39 -5.104 -18.980 -17.731 313 HA ASP 39 HA ASP 39 -4.779 -16.146 -17.560 314 HB2 ASP 39 2HB ASP 39 -7.080 -16.046 -18.426 315 HB3 ASP 39 3HB ASP 39 -6.087 -17.161 -19.361 316 H ASN 40 H ASN 40 -6.317 -14.711 -16.451 317 HA ASN 40 HA ASN 40 -7.332 -13.915 -14.578 318 HB2 ASN 40 2HB ASN 40 -8.849 -15.961 -15.189 319 HB3 ASN 40 3HB ASN 40 -8.115 -16.694 -13.765 320 HD21 ASN 40 1HD2 ASN 40 -8.582 -15.885 -11.740 321 HD22 ASN 40 2HD2 ASN 40 -9.883 -14.783 -11.457 322 H ASN 41 H ASN 41 -4.581 -15.336 -14.592 323 HA ASN 41 HA ASN 41 -4.081 -16.396 -12.052 324 HB2 ASN 41 2HB ASN 41 -2.571 -15.760 -14.351 325 HB3 ASN 41 3HB ASN 41 -1.793 -14.934 -13.005 326 HD21 ASN 41 1HD2 ASN 41 -1.051 -17.304 -14.666 327 HD22 ASN 41 2HD2 ASN 41 -0.691 -18.547 -13.521 328 H LYS 42 H LYS 42 -2.094 -15.033 -10.836 329 HA LYS 42 HA LYS 42 -3.187 -12.382 -10.202 330 HB2 LYS 42 2HB LYS 42 -3.353 -14.661 -8.529 331 HB3 LYS 42 3HB LYS 42 -2.145 -13.596 -7.821 332 HG2 LYS 42 2HG LYS 42 -4.185 -12.990 -6.834 333 HG3 LYS 42 3HG LYS 42 -3.853 -11.740 -8.035 334 HD2 LYS 42 2HD LYS 42 -6.172 -12.355 -8.183 335 HD3 LYS 42 3HD LYS 42 -5.338 -12.950 -9.620 336 HE2 LYS 42 2HE LYS 42 -5.319 -15.174 -8.792 337 HE3 LYS 42 3HE LYS 42 -5.826 -14.652 -7.186 338 HZ1 LYS 42 3HZ LYS 42 -7.873 -15.139 -7.869 339 HZ2 LYS 42 1HZ LYS 42 -7.415 -15.243 -9.495 340 HZ3 LYS 42 2HZ LYS 42 -7.801 -13.741 -8.820 341 H CYS 43 H CYS 43 -1.683 -10.890 -9.340 342 HA CYS 43 HA CYS 43 1.127 -11.703 -9.314 343 HB2 CYS 43 2HB CYS 43 1.807 -9.882 -10.761 344 HB3 CYS 43 3HB CYS 43 0.624 -10.878 -11.603 345 H THR 44 H THR 44 2.483 -9.618 -8.716 346 HA THR 44 HA THR 44 1.042 -8.018 -6.726 347 HB THR 44 HB THR 44 3.346 -8.399 -5.377 348 HG1 THR 44 HG1 THR 44 4.055 -10.474 -5.604 349 HG21 THR 44 3HG2 THR 44 0.673 -9.043 -5.043 350 HG22 THR 44 1HG2 THR 44 1.936 -9.167 -3.820 351 HG23 THR 44 2HG2 THR 44 1.511 -10.575 -4.794 352 H VAL 45 H VAL 45 1.809 -5.963 -6.447 353 HA VAL 45 HA VAL 45 4.321 -5.208 -7.743 354 HB VAL 45 HB VAL 45 1.755 -3.703 -8.257 355 HG11 VAL 45 1HG1 VAL 45 3.822 -2.357 -8.259 356 HG12 VAL 45 2HG1 VAL 45 4.488 -3.418 -9.502 357 HG13 VAL 45 3HG1 VAL 45 3.064 -2.436 -9.848 358 HG21 VAL 45 3HG2 VAL 45 2.043 -4.539 -10.606 359 HG22 VAL 45 1HG2 VAL 45 3.249 -5.667 -9.984 360 HG23 VAL 45 2HG2 VAL 45 1.577 -5.769 -9.431 361 H ASP 46 H ASP 46 5.478 -3.951 -6.447 362 HA ASP 46 HA ASP 46 4.072 -2.430 -4.350 363 HB2 ASP 46 2HB ASP 46 6.186 -4.336 -4.154 364 HB3 ASP 46 3HB ASP 46 6.821 -2.762 -3.682 365 H THR 47 H THR 47 4.398 -0.291 -4.228 366 HA THR 47 HA THR 47 5.959 0.979 -6.304 367 HB THR 47 HB THR 47 4.986 2.915 -4.467 368 HG1 THR 47 HG1 THR 47 3.473 1.593 -3.612 369 HG21 THR 47 3HG2 THR 47 5.144 3.379 -6.792 370 HG22 THR 47 1HG2 THR 47 3.427 3.406 -6.396 371 HG23 THR 47 2HG2 THR 47 4.123 2.003 -7.206 372 H TYR 48 H TYR 48 6.413 0.071 -3.048 373 HA TYR 48 HA TYR 48 8.382 2.095 -2.441 374 HB2 TYR 48 2HB TYR 48 6.916 0.081 -0.980 375 HB3 TYR 48 3HB TYR 48 8.633 -0.017 -0.602 376 HD1 TYR 48 HD1 TYR 48 6.349 2.864 -1.287 377 HD2 TYR 48 HD2 TYR 48 9.034 0.994 1.432 378 HE1 TYR 48 HE1 TYR 48 6.114 4.772 0.248 379 HE2 TYR 48 HE2 TYR 48 8.806 2.895 2.975 380 HH TYR 48 HH TYR 48 6.901 4.720 3.379 381 H ASN 49 H ASN 49 8.353 -1.330 -3.312 382 HA ASN 49 HA ASN 49 11.286 -1.300 -3.461 383 HB2 ASN 49 2HB ASN 49 9.348 -3.625 -3.489 384 HB3 ASN 49 3HB ASN 49 11.101 -3.769 -3.583 385 HD21 ASN 49 1HD2 ASN 49 8.681 -4.222 -1.569 386 HD22 ASN 49 2HD2 ASN 49 9.415 -3.810 -0.060 387 H ASN 50 H ASN 50 8.630 -0.869 -5.399 388 HA ASN 50 HA ASN 50 8.233 -0.944 -7.642 389 HB2 ASN 50 2HB ASN 50 10.600 0.341 -7.250 390 HB3 ASN 50 3HB ASN 50 11.097 -0.934 -8.359 391 HD21 ASN 50 1HD2 ASN 50 8.311 1.239 -7.986 392 HD22 ASN 50 2HD2 ASN 50 8.272 1.745 -9.637 393 H ALA 51 H ALA 51 8.637 -3.492 -6.272 394 HA ALA 51 HA ALA 51 9.887 -5.150 -8.336 395 HB1 ALA 51 1HB ALA 51 9.445 -6.997 -6.644 396 HB2 ALA 51 2HB ALA 51 10.625 -5.766 -6.191 397 HB3 ALA 51 3HB ALA 51 8.994 -5.711 -5.523 398 H VAL 52 H VAL 52 8.788 -6.814 -9.392 399 HA VAL 52 HA VAL 52 5.862 -6.841 -9.105 400 HB VAL 52 HB VAL 52 7.355 -6.755 -11.730 401 HG11 VAL 52 1HG1 VAL 52 4.536 -7.389 -11.018 402 HG12 VAL 52 2HG1 VAL 52 4.852 -6.492 -12.504 403 HG13 VAL 52 3HG1 VAL 52 5.570 -8.085 -12.265 404 HG21 VAL 52 3HG2 VAL 52 5.913 -4.728 -10.118 405 HG22 VAL 52 1HG2 VAL 52 7.303 -4.548 -11.189 406 HG23 VAL 52 2HG2 VAL 52 5.680 -4.687 -11.866 407 H ASP 53 H ASP 53 4.934 -8.814 -9.184 408 HA ASP 53 HA ASP 53 6.506 -11.086 -10.160 409 HB2 ASP 53 2HB ASP 53 5.903 -10.534 -7.390 410 HB3 ASP 53 3HB ASP 53 5.148 -12.044 -7.893 411 H CYS 54 H CYS 54 5.322 -12.081 -11.637 412 HA CYS 54 HA CYS 54 2.395 -12.133 -11.297 413 HB2 CYS 54 2HB CYS 54 2.358 -12.476 -13.807 414 HB3 CYS 54 3HB CYS 54 2.892 -10.889 -13.263 415 H ASP 55 H ASP 55 1.310 -14.048 -11.492 416 HA ASP 55 HA ASP 55 2.932 -16.453 -11.290 417 HB2 ASP 55 2HB ASP 55 0.099 -15.739 -10.676 418 HB3 ASP 55 3HB ASP 55 0.483 -17.429 -10.994 Start of MODEL 6 1 H1 ALA 1 H ALA 1 0.380 -0.448 0.414 2 HA ALA 1 HA ALA 1 1.638 0.346 -1.418 3 HB1 ALA 1 1HB ALA 1 3.898 -0.552 0.324 4 HB2 ALA 1 2HB ALA 1 4.151 -0.284 -1.401 5 HB3 ALA 1 3HB ALA 1 3.588 1.037 -0.377 6 H LYS 2 H LYS 2 0.207 -2.114 -0.920 7 HA LYS 2 HA LYS 2 1.628 -3.883 -2.801 8 HB2 LYS 2 2HB LYS 2 -0.211 -4.711 -0.547 9 HB3 LYS 2 3HB LYS 2 0.545 -5.800 -1.704 10 HG2 LYS 2 2HG LYS 2 2.537 -5.743 -0.660 11 HG3 LYS 2 3HG LYS 2 2.384 -4.038 -0.229 12 HD2 LYS 2 2HD LYS 2 0.434 -5.663 1.161 13 HD3 LYS 2 3HD LYS 2 2.079 -6.227 1.464 14 HE2 LYS 2 2HE LYS 2 2.684 -4.310 2.540 15 HE3 LYS 2 3HE LYS 2 1.582 -3.305 1.599 16 HZ1 LYS 2 3HZ LYS 2 0.902 -5.079 3.875 17 HZ2 LYS 2 1HZ LYS 2 -0.262 -4.375 2.869 18 HZ3 LYS 2 2HZ LYS 2 0.755 -3.396 3.799 19 H TYR 3 H TYR 3 0.639 -3.918 -4.699 20 HA TYR 3 HA TYR 3 -2.283 -3.556 -4.777 21 HB2 TYR 3 2HB TYR 3 -0.151 -2.900 -6.812 22 HB3 TYR 3 3HB TYR 3 -1.870 -2.891 -7.188 23 HD1 TYR 3 HD2 TYR 3 -3.375 -1.311 -5.888 24 HD2 TYR 3 HD1 TYR 3 0.870 -1.040 -5.799 25 HE1 TYR 3 HE2 TYR 3 -3.545 1.004 -5.076 26 HE2 TYR 3 HE1 TYR 3 0.712 1.275 -4.985 27 HH TYR 3 HH TYR 3 -1.437 2.584 -3.569 28 H THR 4 H THR 4 -3.535 -5.108 -5.621 29 HA THR 4 HA THR 4 -2.212 -7.536 -6.591 30 HB THR 4 HB THR 4 -3.764 -7.861 -4.740 31 HG1 THR 4 HG1 THR 4 -3.655 -9.531 -6.286 32 HG21 THR 4 3HG2 THR 4 -6.138 -7.417 -4.959 33 HG22 THR 4 1HG2 THR 4 -5.901 -6.805 -6.595 34 HG23 THR 4 2HG2 THR 4 -5.232 -5.927 -5.220 35 H GLY 5 H GLY 5 -2.338 -8.178 -8.653 36 HA2 GLY 5 2HA GLY 5 -4.460 -7.062 -10.356 37 HA3 GLY 5 3HA GLY 5 -2.784 -6.892 -10.855 38 H LYS 6 H LYS 6 -4.720 -8.186 -12.405 39 HA LYS 6 HA LYS 6 -3.861 -10.999 -12.221 40 HB2 LYS 6 2HB LYS 6 -6.384 -9.909 -13.482 41 HB3 LYS 6 3HB LYS 6 -5.931 -11.605 -13.373 42 HG2 LYS 6 2HG LYS 6 -6.795 -11.779 -11.339 43 HG3 LYS 6 3HG LYS 6 -5.905 -10.364 -10.771 44 HD2 LYS 6 2HD LYS 6 -7.673 -8.994 -11.037 45 HD3 LYS 6 3HD LYS 6 -8.178 -9.772 -12.539 46 HE2 LYS 6 2HE LYS 6 -9.334 -11.468 -11.393 47 HE3 LYS 6 3HE LYS 6 -8.538 -11.094 -9.865 48 HZ1 LYS 6 3HZ LYS 6 -10.295 -9.850 -9.393 49 HZ2 LYS 6 1HZ LYS 6 -10.929 -10.013 -10.953 50 HZ3 LYS 6 2HZ LYS 6 -9.823 -8.780 -10.615 51 H CYS 7 H CYS 7 -3.136 -12.032 -14.061 52 HA CYS 7 HA CYS 7 -2.770 -10.335 -16.442 53 HB2 CYS 7 2HB CYS 7 -0.568 -11.177 -16.760 54 HB3 CYS 7 3HB CYS 7 -0.674 -10.710 -15.066 55 H THR 8 H THR 8 -2.518 -11.514 -18.464 56 HA THR 8 HA THR 8 -4.133 -13.968 -18.458 57 HB THR 8 HB THR 8 -3.699 -12.986 -21.108 58 HG1 THR 8 HG1 THR 8 -3.358 -10.941 -20.242 59 HG21 THR 8 3HG2 THR 8 -6.249 -12.566 -20.825 60 HG22 THR 8 1HG2 THR 8 -6.030 -13.348 -19.261 61 HG23 THR 8 2HG2 THR 8 -5.635 -14.217 -20.745 62 H LYS 9 H LYS 9 -3.528 -15.756 -19.743 63 HA LYS 9 HA LYS 9 -0.693 -16.214 -19.819 64 HB2 LYS 9 2HB LYS 9 -2.145 -18.025 -19.154 65 HB3 LYS 9 3HB LYS 9 -3.042 -17.917 -20.663 66 HG2 LYS 9 2HG LYS 9 -0.896 -18.513 -21.844 67 HG3 LYS 9 3HG LYS 9 -0.225 -18.878 -20.252 68 HD2 LYS 9 2HD LYS 9 -2.340 -20.365 -19.990 69 HD3 LYS 9 3HD LYS 9 -2.417 -20.262 -21.750 70 HE2 LYS 9 2HE LYS 9 0.260 -20.862 -20.826 71 HE3 LYS 9 3HE LYS 9 -0.908 -22.046 -20.241 72 HZ1 LYS 9 3HZ LYS 9 -0.244 -22.873 -22.289 73 HZ2 LYS 9 1HZ LYS 9 -0.229 -21.352 -23.028 74 HZ3 LYS 9 2HZ LYS 9 -1.701 -22.095 -22.655 75 H SER 10 H SER 10 -3.121 -15.239 -22.070 76 HA SER 10 HA SER 10 -1.578 -15.941 -24.412 77 HB2 SER 10 2HB SER 10 -3.440 -14.478 -25.519 78 HB3 SER 10 3HB SER 10 -3.863 -16.057 -24.856 79 HG SER 10 HG SER 10 -5.132 -15.089 -23.503 80 H LYS 11 H LYS 11 -2.545 -12.953 -22.753 81 HA LYS 11 HA LYS 11 -0.815 -11.366 -24.463 82 HB2 LYS 11 2HB LYS 11 -2.404 -10.450 -22.064 83 HB3 LYS 11 3HB LYS 11 -1.738 -9.448 -23.346 84 HG2 LYS 11 2HG LYS 11 -3.440 -11.405 -24.518 85 HG3 LYS 11 3HG LYS 11 -4.298 -10.625 -23.188 86 HD2 LYS 11 2HD LYS 11 -4.783 -9.080 -24.760 87 HD3 LYS 11 3HD LYS 11 -3.173 -8.473 -24.364 88 HE2 LYS 11 2HE LYS 11 -2.290 -9.974 -26.189 89 HE3 LYS 11 3HE LYS 11 -3.966 -10.258 -26.657 90 HZ1 LYS 11 3HZ LYS 11 -2.910 -7.513 -26.425 91 HZ2 LYS 11 1HZ LYS 11 -4.238 -8.068 -27.313 92 HZ3 LYS 11 2HZ LYS 11 -2.667 -8.414 -27.836 93 H ASN 12 H ASN 12 -0.600 -13.052 -21.526 94 HA ASN 12 HA ASN 12 0.911 -13.085 -19.813 95 HB2 ASN 12 2HB ASN 12 2.254 -13.742 -21.872 96 HB3 ASN 12 3HB ASN 12 2.868 -12.091 -21.886 97 HD21 ASN 12 1HD2 ASN 12 4.557 -14.231 -21.656 98 HD22 ASN 12 2HD2 ASN 12 5.250 -14.255 -20.074 99 H GLU 13 H GLU 13 -0.570 -10.697 -19.913 100 HA GLU 13 HA GLU 13 1.390 -8.829 -18.768 101 HB2 GLU 13 2HB GLU 13 0.423 -6.960 -19.822 102 HB3 GLU 13 3HB GLU 13 0.562 -8.169 -21.091 103 HG2 GLU 13 2HG GLU 13 -1.911 -8.721 -20.247 104 HG3 GLU 13 3HG GLU 13 -1.838 -7.011 -19.825 105 H CYS 14 H CYS 14 0.852 -7.994 -16.836 106 HA CYS 14 HA CYS 14 -1.655 -8.879 -15.640 107 HB2 CYS 14 2HB CYS 14 0.797 -8.934 -14.611 108 HB3 CYS 14 3HB CYS 14 0.361 -7.305 -14.106 109 H LYS 15 H LYS 15 -2.753 -7.302 -14.130 110 HA LYS 15 HA LYS 15 -2.599 -4.520 -14.986 111 HB2 LYS 15 2HB LYS 15 -4.953 -4.356 -15.504 112 HB3 LYS 15 3HB LYS 15 -4.232 -5.609 -16.505 113 HG2 LYS 15 2HG LYS 15 -6.030 -6.787 -15.864 114 HG3 LYS 15 3HG LYS 15 -5.067 -7.091 -14.417 115 HD2 LYS 15 2HD LYS 15 -6.191 -4.765 -13.711 116 HD3 LYS 15 3HD LYS 15 -7.445 -5.370 -14.796 117 HE2 LYS 15 2HE LYS 15 -8.076 -6.976 -13.361 118 HE3 LYS 15 3HE LYS 15 -6.414 -7.370 -12.924 119 HZ1 LYS 15 3HZ LYS 15 -7.594 -4.865 -11.945 120 HZ2 LYS 15 1HZ LYS 15 -6.390 -5.829 -11.249 121 HZ3 LYS 15 2HZ LYS 15 -8.007 -6.319 -11.185 122 H TYR 16 H TYR 16 -2.715 -3.236 -13.270 123 HA TYR 16 HA TYR 16 -4.236 -4.145 -10.921 124 HB2 TYR 16 2HB TYR 16 -2.483 -3.217 -9.459 125 HB3 TYR 16 3HB TYR 16 -1.867 -4.520 -10.468 126 HD1 TYR 16 HD1 TYR 16 -0.483 -3.944 -12.489 127 HD2 TYR 16 HD2 TYR 16 -1.542 -1.051 -9.554 128 HE1 TYR 16 HE1 TYR 16 1.314 -2.473 -13.299 129 HE2 TYR 16 HE2 TYR 16 0.252 0.428 -10.356 130 HH TYR 16 HH TYR 16 1.791 0.764 -11.940 131 H LYS 17 H LYS 17 -4.748 -2.346 -9.407 132 HA LYS 17 HA LYS 17 -5.499 0.029 -10.946 133 HB2 LYS 17 2HB LYS 17 -6.740 -1.518 -8.844 134 HB3 LYS 17 3HB LYS 17 -6.642 0.177 -8.387 135 HG2 LYS 17 2HG LYS 17 -7.802 0.818 -10.419 136 HG3 LYS 17 3HG LYS 17 -7.854 -0.868 -10.938 137 HD2 LYS 17 2HD LYS 17 -9.005 -1.165 -8.563 138 HD3 LYS 17 3HD LYS 17 -9.421 0.529 -8.835 139 HE2 LYS 17 2HE LYS 17 -10.665 0.039 -10.746 140 HE3 LYS 17 3HE LYS 17 -9.902 -1.537 -10.952 141 HZ1 LYS 17 3HZ LYS 17 -12.110 -1.848 -10.136 142 HZ2 LYS 17 1HZ LYS 17 -11.859 -0.769 -8.856 143 HZ3 LYS 17 2HZ LYS 17 -11.036 -2.247 -8.891 144 H ASN 18 H ASN 18 -4.370 1.837 -10.734 145 HA ASN 18 HA ASN 18 -2.346 2.099 -8.715 146 HB2 ASN 18 2HB ASN 18 -1.918 4.305 -9.797 147 HB3 ASN 18 3HB ASN 18 -1.892 2.957 -10.930 148 HD21 ASN 18 1HD2 ASN 18 -2.395 4.123 -12.726 149 HD22 ASN 18 2HD2 ASN 18 -3.928 4.881 -12.974 150 H ASP 19 H ASP 19 -2.208 4.480 -7.741 151 HA ASP 19 HA ASP 19 -4.186 4.633 -5.760 152 HB2 ASP 19 2HB ASP 19 -1.834 5.548 -5.630 153 HB3 ASP 19 3HB ASP 19 -2.382 6.899 -6.618 154 H ALA 20 H ALA 20 -4.026 5.970 -8.944 155 HA ALA 20 HA ALA 20 -5.968 8.034 -8.543 156 HB1 ALA 20 1HB ALA 20 -5.905 7.316 -11.269 157 HB2 ALA 20 2HB ALA 20 -5.120 8.688 -10.486 158 HB3 ALA 20 3HB ALA 20 -4.259 7.159 -10.656 159 H GLY 21 H GLY 21 -6.170 4.675 -8.793 160 HA2 GLY 21 2HA GLY 21 -8.150 3.440 -8.513 161 HA3 GLY 21 3HA GLY 21 -9.072 4.844 -9.028 162 H LYS 22 H LYS 22 -6.994 4.975 -11.334 163 HA LYS 22 HA LYS 22 -8.637 3.664 -13.249 164 HB2 LYS 22 2HB LYS 22 -6.333 5.440 -13.258 165 HB3 LYS 22 3HB LYS 22 -6.215 4.208 -14.507 166 HG2 LYS 22 2HG LYS 22 -7.268 6.160 -15.416 167 HG3 LYS 22 3HG LYS 22 -8.457 4.859 -15.313 168 HD2 LYS 22 2HD LYS 22 -9.780 6.161 -14.092 169 HD3 LYS 22 3HD LYS 22 -8.517 6.305 -12.868 170 HE2 LYS 22 2HE LYS 22 -8.746 8.505 -13.397 171 HE3 LYS 22 3HE LYS 22 -7.557 8.055 -14.619 172 HZ1 LYS 22 3HZ LYS 22 -10.161 7.554 -15.586 173 HZ2 LYS 22 1HZ LYS 22 -8.982 8.599 -16.204 174 HZ3 LYS 22 2HZ LYS 22 -10.070 9.150 -15.031 175 H ASP 23 H ASP 23 -7.954 2.003 -14.749 176 HA ASP 23 HA ASP 23 -6.397 -0.067 -13.394 177 HB2 ASP 23 2HB ASP 23 -7.356 -1.571 -15.148 178 HB3 ASP 23 3HB ASP 23 -8.571 -0.778 -14.149 179 H THR 24 H THR 24 -4.344 -0.377 -13.907 180 HA THR 24 HA THR 24 -3.424 0.427 -16.590 181 HB THR 24 HB THR 24 -1.566 0.178 -14.245 182 HG1 THR 24 HG1 THR 24 -3.375 2.266 -14.824 183 HG21 THR 24 3HG2 THR 24 -0.529 2.130 -15.637 184 HG22 THR 24 1HG2 THR 24 -1.549 1.499 -16.929 185 HG23 THR 24 2HG2 THR 24 -0.331 0.464 -16.181 186 H PHE 25 H PHE 25 -2.552 -1.089 -17.854 187 HA PHE 25 HA PHE 25 -1.946 -3.705 -16.646 188 HB2 PHE 25 2HB PHE 25 -2.314 -4.569 -19.012 189 HB3 PHE 25 3HB PHE 25 -3.744 -3.987 -18.167 190 HD1 PHE 25 HD1 PHE 25 -1.396 -3.364 -20.892 191 HD2 PHE 25 HD2 PHE 25 -4.856 -1.953 -18.853 192 HE1 PHE 25 HE1 PHE 25 -1.869 -1.834 -22.761 193 HE2 PHE 25 HE2 PHE 25 -5.335 -0.422 -20.719 194 HZ PHE 25 HZ PHE 25 -3.842 -0.362 -22.676 195 H ILE 26 H ILE 26 -0.018 -4.692 -17.053 196 HA ILE 26 HA ILE 26 1.851 -3.392 -18.899 197 HB ILE 26 HB ILE 26 2.263 -2.548 -16.573 198 HG12 ILE 26 2HG1 ILE 26 4.738 -3.994 -17.013 199 HG13 ILE 26 3HG1 ILE 26 4.065 -3.409 -18.531 200 HG21 ILE 26 1HG2 ILE 26 3.065 -5.410 -16.064 201 HG22 ILE 26 2HG2 ILE 26 3.313 -4.056 -14.962 202 HG23 ILE 26 3HG2 ILE 26 1.677 -4.581 -15.360 203 HD11 ILE 26 3HD1 ILE 26 3.915 -1.341 -16.569 204 HD12 ILE 26 1HD1 ILE 26 5.557 -1.982 -16.634 205 HD13 ILE 26 2HD1 ILE 26 4.790 -1.369 -18.100 206 H LYS 27 H LYS 27 3.337 -4.748 -19.852 207 HA LYS 27 HA LYS 27 2.655 -7.492 -20.016 208 HB2 LYS 27 2HB LYS 27 4.847 -7.624 -21.324 209 HB3 LYS 27 3HB LYS 27 3.602 -6.555 -21.956 210 HG2 LYS 27 2HG LYS 27 5.423 -5.223 -20.116 211 HG3 LYS 27 3HG LYS 27 6.228 -5.897 -21.535 212 HD2 LYS 27 2HD LYS 27 4.577 -4.737 -22.970 213 HD3 LYS 27 3HD LYS 27 3.879 -4.001 -21.525 214 HE2 LYS 27 2HE LYS 27 5.471 -2.526 -22.738 215 HE3 LYS 27 3HE LYS 27 5.920 -2.833 -21.061 216 HZ1 LYS 27 3HZ LYS 27 7.044 -4.714 -22.928 217 HZ2 LYS 27 1HZ LYS 27 7.790 -3.853 -21.677 218 HZ3 LYS 27 2HZ LYS 27 7.558 -3.123 -23.185 219 H CYS 28 H CYS 28 3.776 -9.324 -19.325 220 HA CYS 28 HA CYS 28 5.459 -8.873 -16.963 221 HB2 CYS 28 2HB CYS 28 3.565 -11.009 -17.798 222 HB3 CYS 28 3HB CYS 28 4.949 -11.498 -16.826 223 HA PRO 29 HA PRO 29 9.097 -10.533 -18.765 224 HB2 PRO 29 2HB PRO 29 10.100 -12.094 -16.783 225 HB3 PRO 29 3HB PRO 29 10.107 -10.327 -16.711 226 HG2 PRO 29 2HG PRO 29 8.215 -12.267 -15.440 227 HG3 PRO 29 3HG PRO 29 8.951 -10.808 -14.752 228 HD2 PRO 29 2HD PRO 29 6.410 -10.856 -15.687 229 HD3 PRO 29 3HD PRO 29 7.433 -9.407 -15.775 230 H LYS 30 H LYS 30 9.625 -12.144 -20.123 231 HA LYS 30 HA LYS 30 7.949 -14.504 -20.197 232 HB2 LYS 30 2HB LYS 30 9.972 -13.272 -22.026 233 HB3 LYS 30 3HB LYS 30 9.537 -14.962 -22.242 234 HG2 LYS 30 2HG LYS 30 7.379 -12.916 -22.046 235 HG3 LYS 30 3HG LYS 30 8.282 -13.090 -23.552 236 HD2 LYS 30 2HD LYS 30 6.939 -15.388 -22.138 237 HD3 LYS 30 3HD LYS 30 6.168 -14.440 -23.412 238 HE2 LYS 30 2HE LYS 30 8.845 -15.418 -24.089 239 HE3 LYS 30 3HE LYS 30 7.662 -16.693 -23.805 240 HZ1 LYS 30 3HZ LYS 30 7.782 -14.715 -25.938 241 HZ2 LYS 30 1HZ LYS 30 6.241 -15.095 -25.353 242 HZ3 LYS 30 2HZ LYS 30 7.234 -16.315 -25.974 243 H PHE 31 H PHE 31 10.367 -13.845 -18.277 244 HA PHE 31 HA PHE 31 12.161 -16.034 -18.721 245 HB2 PHE 31 2HB PHE 31 11.791 -13.999 -16.552 246 HB3 PHE 31 3HB PHE 31 12.818 -15.400 -16.265 247 HD1 PHE 31 HD2 PHE 31 12.352 -12.419 -18.387 248 HD2 PHE 31 HD1 PHE 31 14.983 -15.544 -17.191 249 HE1 PHE 31 HE2 PHE 31 14.215 -11.278 -19.518 250 HE2 PHE 31 HE1 PHE 31 16.851 -14.408 -18.320 251 HZ PHE 31 HZ PHE 31 16.468 -12.273 -19.487 252 H ASP 32 H ASP 32 12.242 -18.002 -17.722 253 HA ASP 32 HA ASP 32 9.855 -19.208 -16.911 254 HB2 ASP 32 2HB ASP 32 12.703 -19.969 -17.007 255 HB3 ASP 32 3HB ASP 32 11.738 -20.851 -15.826 256 H ASN 33 H ASN 33 12.050 -17.255 -15.167 257 HA ASN 33 HA ASN 33 11.585 -18.275 -12.558 258 HB2 ASN 33 2HB ASN 33 12.870 -16.506 -11.791 259 HB3 ASN 33 3HB ASN 33 13.444 -16.654 -13.450 260 HD21 ASN 33 1HD2 ASN 33 12.670 -14.481 -11.216 261 HD22 ASN 33 2HD2 ASN 33 12.102 -13.185 -12.208 262 H LYS 34 H LYS 34 9.943 -15.954 -14.594 263 HA LYS 34 HA LYS 34 7.637 -16.022 -12.858 264 HB2 LYS 34 2HB LYS 34 9.469 -13.978 -12.444 265 HB3 LYS 34 3HB LYS 34 8.249 -13.239 -13.474 266 HG2 LYS 34 2HG LYS 34 7.648 -12.834 -11.208 267 HG3 LYS 34 3HG LYS 34 6.515 -14.018 -11.864 268 HD2 LYS 34 2HD LYS 34 7.204 -14.667 -9.629 269 HD3 LYS 34 3HD LYS 34 7.822 -15.821 -10.814 270 HE2 LYS 34 2HE LYS 34 10.008 -14.819 -10.720 271 HE3 LYS 34 3HE LYS 34 9.415 -13.525 -9.680 272 HZ1 LYS 34 3HZ LYS 34 9.856 -14.783 -7.931 273 HZ2 LYS 34 1HZ LYS 34 10.415 -16.029 -8.930 274 HZ3 LYS 34 2HZ LYS 34 8.786 -15.972 -8.480 275 H LYS 35 H LYS 35 5.917 -16.181 -14.126 276 HA LYS 35 HA LYS 35 5.473 -14.498 -16.376 277 HB2 LYS 35 2HB LYS 35 5.416 -16.275 -18.099 278 HB3 LYS 35 3HB LYS 35 7.035 -15.988 -17.474 279 HG2 LYS 35 2HG LYS 35 6.484 -17.951 -15.869 280 HG3 LYS 35 3HG LYS 35 5.233 -18.331 -17.054 281 HD2 LYS 35 2HD LYS 35 7.767 -17.769 -18.332 282 HD3 LYS 35 3HD LYS 35 7.915 -19.073 -17.152 283 HE2 LYS 35 2HE LYS 35 6.223 -20.348 -18.226 284 HE3 LYS 35 3HE LYS 35 5.754 -18.988 -19.245 285 HZ1 LYS 35 3HZ LYS 35 8.446 -20.215 -19.371 286 HZ2 LYS 35 1HZ LYS 35 7.725 -19.167 -20.487 287 HZ3 LYS 35 2HZ LYS 35 7.157 -20.752 -20.326 288 H CYS 36 H CYS 36 3.508 -15.485 -17.700 289 HA CYS 36 HA CYS 36 1.526 -16.233 -15.676 290 HB2 CYS 36 2HB CYS 36 1.492 -14.323 -17.696 291 HB3 CYS 36 3HB CYS 36 0.476 -15.618 -18.321 292 H THR 37 H THR 37 0.892 -18.271 -15.547 293 HA THR 37 HA THR 37 1.376 -20.073 -17.799 294 HB THR 37 HB THR 37 0.638 -21.832 -16.050 295 HG1 THR 37 HG1 THR 37 1.457 -19.916 -14.160 296 HG21 THR 37 3HG2 THR 37 2.964 -21.457 -14.847 297 HG22 THR 37 1HG2 THR 37 3.173 -20.271 -16.135 298 HG23 THR 37 2HG2 THR 37 2.876 -21.963 -16.533 299 H LYS 38 H LYS 38 -1.219 -18.692 -15.908 300 HA LYS 38 HA LYS 38 -3.142 -19.857 -17.796 301 HB2 LYS 38 2HB LYS 38 -2.993 -20.942 -15.394 302 HB3 LYS 38 3HB LYS 38 -3.938 -19.532 -14.933 303 HG2 LYS 38 2HG LYS 38 -5.729 -20.719 -15.492 304 HG3 LYS 38 3HG LYS 38 -5.245 -20.469 -17.171 305 HD2 LYS 38 2HD LYS 38 -3.677 -22.584 -16.417 306 HD3 LYS 38 3HD LYS 38 -5.172 -22.890 -15.531 307 HE2 LYS 38 2HE LYS 38 -6.196 -22.246 -17.923 308 HE3 LYS 38 3HE LYS 38 -4.644 -22.903 -18.441 309 HZ1 LYS 38 3HZ LYS 38 -6.201 -24.437 -16.496 310 HZ2 LYS 38 1HZ LYS 38 -5.178 -24.979 -17.729 311 HZ3 LYS 38 2HZ LYS 38 -6.734 -24.431 -18.101 312 H ASP 39 H ASP 39 -5.073 -18.632 -18.085 313 HA ASP 39 HA ASP 39 -4.638 -15.810 -17.973 314 HB2 ASP 39 2HB ASP 39 -6.672 -15.600 -19.185 315 HB3 ASP 39 3HB ASP 39 -5.894 -17.060 -19.789 316 H ASN 40 H ASN 40 -6.044 -14.253 -16.961 317 HA ASN 40 HA ASN 40 -7.159 -13.346 -15.198 318 HB2 ASN 40 2HB ASN 40 -8.859 -15.132 -15.948 319 HB3 ASN 40 3HB ASN 40 -8.286 -16.067 -14.569 320 HD21 ASN 40 1HD2 ASN 40 -8.940 -15.535 -12.556 321 HD22 ASN 40 2HD2 ASN 40 -10.050 -14.259 -12.203 322 H ASN 41 H ASN 41 -4.593 -15.094 -14.956 323 HA ASN 41 HA ASN 41 -4.466 -16.143 -12.363 324 HB2 ASN 41 2HB ASN 41 -2.657 -15.673 -14.524 325 HB3 ASN 41 3HB ASN 41 -1.915 -15.081 -13.041 326 HD21 ASN 41 1HD2 ASN 41 -1.091 -17.314 -14.626 327 HD22 ASN 41 2HD2 ASN 41 -1.196 -18.716 -13.622 328 H LYS 42 H LYS 42 -2.428 -15.012 -10.999 329 HA LYS 42 HA LYS 42 -3.282 -12.246 -10.470 330 HB2 LYS 42 2HB LYS 42 -3.680 -14.481 -8.778 331 HB3 LYS 42 3HB LYS 42 -2.408 -13.512 -8.047 332 HG2 LYS 42 2HG LYS 42 -4.449 -12.756 -7.134 333 HG3 LYS 42 3HG LYS 42 -3.929 -11.525 -8.287 334 HD2 LYS 42 2HD LYS 42 -6.293 -11.916 -8.557 335 HD3 LYS 42 3HD LYS 42 -5.440 -12.531 -9.974 336 HE2 LYS 42 2HE LYS 42 -7.219 -14.050 -9.140 337 HE3 LYS 42 3HE LYS 42 -5.618 -14.786 -9.175 338 HZ1 LYS 42 3HZ LYS 42 -5.446 -14.719 -6.885 339 HZ2 LYS 42 1HZ LYS 42 -7.079 -15.104 -7.107 340 HZ3 LYS 42 2HZ LYS 42 -6.629 -13.522 -6.711 341 H CYS 43 H CYS 43 -1.690 -10.871 -9.564 342 HA CYS 43 HA CYS 43 1.043 -11.899 -9.437 343 HB2 CYS 43 2HB CYS 43 1.931 -10.257 -10.934 344 HB3 CYS 43 3HB CYS 43 0.607 -11.062 -11.769 345 H THR 44 H THR 44 2.539 -9.903 -8.849 346 HA THR 44 HA THR 44 1.159 -8.177 -6.917 347 HB THR 44 HB THR 44 3.384 -8.622 -5.506 348 HG1 THR 44 HG1 THR 44 3.621 -11.036 -5.643 349 HG21 THR 44 3HG2 THR 44 0.751 -9.142 -5.166 350 HG22 THR 44 1HG2 THR 44 1.996 -9.567 -3.992 351 HG23 THR 44 2HG2 THR 44 1.409 -10.778 -5.132 352 H VAL 45 H VAL 45 2.026 -6.158 -6.666 353 HA VAL 45 HA VAL 45 4.569 -5.553 -7.988 354 HB VAL 45 HB VAL 45 2.032 -3.986 -8.481 355 HG11 VAL 45 1HG1 VAL 45 4.904 -3.511 -9.145 356 HG12 VAL 45 2HG1 VAL 45 3.648 -2.934 -10.241 357 HG13 VAL 45 3HG1 VAL 45 3.682 -2.379 -8.567 358 HG21 VAL 45 3HG2 VAL 45 2.685 -4.718 -10.910 359 HG22 VAL 45 1HG2 VAL 45 3.507 -6.034 -10.071 360 HG23 VAL 45 2HG2 VAL 45 1.770 -5.805 -9.866 361 H ASP 46 H ASP 46 5.822 -4.373 -6.709 362 HA ASP 46 HA ASP 46 4.558 -2.845 -4.533 363 HB2 ASP 46 2HB ASP 46 6.710 -4.727 -4.541 364 HB3 ASP 46 3HB ASP 46 7.342 -3.156 -4.057 365 H THR 47 H THR 47 4.853 -0.705 -4.415 366 HA THR 47 HA THR 47 6.308 0.603 -6.553 367 HB THR 47 HB THR 47 5.271 2.428 -4.567 368 HG1 THR 47 HG1 THR 47 3.510 1.384 -4.050 369 HG21 THR 47 3HG2 THR 47 3.979 3.245 -6.501 370 HG22 THR 47 1HG2 THR 47 4.496 1.836 -7.426 371 HG23 THR 47 2HG2 THR 47 5.685 3.024 -6.890 372 H TYR 48 H TYR 48 6.879 -0.309 -3.321 373 HA TYR 48 HA TYR 48 8.766 1.771 -2.699 374 HB2 TYR 48 2HB TYR 48 7.348 -0.047 -1.199 375 HB3 TYR 48 3HB TYR 48 8.977 -0.711 -1.153 376 HD1 TYR 48 HD1 TYR 48 10.658 1.670 -1.099 377 HD2 TYR 48 HD2 TYR 48 6.967 0.914 0.878 378 HE1 TYR 48 HE1 TYR 48 11.271 3.286 0.651 379 HE2 TYR 48 HE2 TYR 48 7.569 2.529 2.632 380 HH TYR 48 HH TYR 48 8.999 4.305 3.088 381 H ASN 49 H ASN 49 8.961 -1.647 -3.632 382 HA ASN 49 HA ASN 49 11.857 -1.340 -4.012 383 HB2 ASN 49 2HB ASN 49 11.674 -3.919 -4.296 384 HB3 ASN 49 3HB ASN 49 11.533 -3.229 -2.682 385 HD21 ASN 49 1HD2 ASN 49 9.587 -3.297 -1.620 386 HD22 ASN 49 2HD2 ASN 49 8.244 -4.230 -2.179 387 H ASN 50 H ASN 50 9.066 -1.112 -5.741 388 HA ASN 50 HA ASN 50 8.506 -1.224 -7.946 389 HB2 ASN 50 2HB ASN 50 10.759 0.211 -7.788 390 HB3 ASN 50 3HB ASN 50 11.360 -1.115 -8.780 391 HD21 ASN 50 1HD2 ASN 50 11.230 1.492 -9.692 392 HD22 ASN 50 2HD2 ASN 50 10.053 1.590 -10.952 393 H ALA 51 H ALA 51 8.995 -3.733 -6.614 394 HA ALA 51 HA ALA 51 10.093 -5.377 -8.791 395 HB1 ALA 51 1HB ALA 51 11.066 -5.637 -6.508 396 HB2 ALA 51 2HB ALA 51 9.500 -6.244 -5.968 397 HB3 ALA 51 3HB ALA 51 10.412 -7.125 -7.194 398 H VAL 52 H VAL 52 8.825 -6.726 -9.924 399 HA VAL 52 HA VAL 52 6.022 -7.018 -9.055 400 HB VAL 52 HB VAL 52 5.299 -7.029 -11.313 401 HG11 VAL 52 1HG1 VAL 52 6.256 -4.823 -10.172 402 HG12 VAL 52 2HG1 VAL 52 7.321 -4.878 -11.578 403 HG13 VAL 52 3HG1 VAL 52 5.571 -4.825 -11.797 404 HG21 VAL 52 3HG2 VAL 52 7.036 -6.731 -13.171 405 HG22 VAL 52 1HG2 VAL 52 8.215 -7.278 -11.979 406 HG23 VAL 52 2HG2 VAL 52 6.880 -8.332 -12.448 407 H ASP 53 H ASP 53 5.048 -9.017 -9.230 408 HA ASP 53 HA ASP 53 6.698 -11.254 -10.168 409 HB2 ASP 53 2HB ASP 53 5.992 -10.699 -7.429 410 HB3 ASP 53 3HB ASP 53 5.265 -12.219 -7.944 411 H CYS 54 H CYS 54 5.598 -12.303 -11.673 412 HA CYS 54 HA CYS 54 2.665 -12.242 -11.601 413 HB2 CYS 54 2HB CYS 54 4.361 -13.180 -13.909 414 HB3 CYS 54 3HB CYS 54 2.684 -12.645 -13.936 415 H ASP 55 H ASP 55 1.468 -14.047 -11.381 416 HA ASP 55 HA ASP 55 2.538 -16.357 -10.254 417 HB2 ASP 55 2HB ASP 55 -0.097 -15.593 -11.397 418 HB3 ASP 55 3HB ASP 55 0.214 -17.314 -11.185 Start of MODEL 7 1 H1 ALA 1 H ALA 1 4.200 0.227 -0.121 2 HA ALA 1 HA ALA 1 2.139 -0.698 0.304 3 HB1 ALA 1 1HB ALA 1 0.398 0.086 -1.691 4 HB2 ALA 1 2HB ALA 1 0.573 0.834 -0.103 5 HB3 ALA 1 3HB ALA 1 1.455 1.483 -1.485 6 H LYS 2 H LYS 2 0.510 -2.179 -0.874 7 HA LYS 2 HA LYS 2 1.950 -3.616 -3.007 8 HB2 LYS 2 2HB LYS 2 0.898 -4.519 -0.482 9 HB3 LYS 2 3HB LYS 2 0.102 -5.369 -1.800 10 HG2 LYS 2 2HG LYS 2 2.102 -6.288 -2.574 11 HG3 LYS 2 3HG LYS 2 3.086 -5.127 -1.679 12 HD2 LYS 2 2HD LYS 2 1.442 -6.545 0.168 13 HD3 LYS 2 3HD LYS 2 2.249 -7.714 -0.880 14 HE2 LYS 2 2HE LYS 2 4.337 -7.137 -0.146 15 HE3 LYS 2 3HE LYS 2 3.865 -5.480 0.230 16 HZ1 LYS 2 3HZ LYS 2 4.287 -6.706 2.245 17 HZ2 LYS 2 1HZ LYS 2 3.169 -7.898 1.807 18 HZ3 LYS 2 2HZ LYS 2 2.640 -6.330 2.153 19 H TYR 3 H TYR 3 0.882 -4.121 -4.844 20 HA TYR 3 HA TYR 3 -1.983 -3.438 -4.971 21 HB2 TYR 3 2HB TYR 3 0.207 -2.936 -6.984 22 HB3 TYR 3 3HB TYR 3 -1.499 -2.884 -7.412 23 HD1 TYR 3 HD2 TYR 3 -2.990 -1.256 -6.082 24 HD2 TYR 3 HD1 TYR 3 1.259 -1.039 -6.124 25 HE1 TYR 3 HE2 TYR 3 -3.108 1.088 -5.346 26 HE2 TYR 3 HE1 TYR 3 1.153 1.305 -5.387 27 HH TYR 3 HH TYR 3 -0.232 2.882 -4.458 28 H THR 4 H THR 4 -3.322 -4.933 -5.786 29 HA THR 4 HA THR 4 -2.147 -7.463 -6.676 30 HB THR 4 HB THR 4 -3.751 -7.626 -4.843 31 HG1 THR 4 HG1 THR 4 -4.479 -9.418 -5.707 32 HG21 THR 4 3HG2 THR 4 -5.085 -5.620 -5.431 33 HG22 THR 4 1HG2 THR 4 -6.083 -7.040 -5.119 34 HG23 THR 4 2HG2 THR 4 -5.788 -6.516 -6.777 35 H GLY 5 H GLY 5 -2.275 -8.148 -8.722 36 HA2 GLY 5 2HA GLY 5 -4.294 -6.950 -10.493 37 HA3 GLY 5 3HA GLY 5 -2.602 -6.898 -10.965 38 H LYS 6 H LYS 6 -4.601 -8.112 -12.509 39 HA LYS 6 HA LYS 6 -3.888 -10.962 -12.257 40 HB2 LYS 6 2HB LYS 6 -6.387 -9.746 -13.450 41 HB3 LYS 6 3HB LYS 6 -6.004 -11.462 -13.434 42 HG2 LYS 6 2HG LYS 6 -6.774 -11.706 -11.367 43 HG3 LYS 6 3HG LYS 6 -5.865 -10.310 -10.783 44 HD2 LYS 6 2HD LYS 6 -8.005 -9.569 -10.443 45 HD3 LYS 6 3HD LYS 6 -7.733 -8.980 -12.084 46 HE2 LYS 6 2HE LYS 6 -8.667 -11.486 -12.564 47 HE3 LYS 6 3HE LYS 6 -9.548 -11.069 -11.095 48 HZ1 LYS 6 3HZ LYS 6 -10.599 -10.457 -13.310 49 HZ2 LYS 6 1HZ LYS 6 -9.440 -9.228 -13.404 50 HZ3 LYS 6 2HZ LYS 6 -10.547 -9.251 -12.125 51 H CYS 7 H CYS 7 -3.157 -12.040 -14.047 52 HA CYS 7 HA CYS 7 -2.810 -10.444 -16.500 53 HB2 CYS 7 2HB CYS 7 -0.615 -11.315 -16.807 54 HB3 CYS 7 3HB CYS 7 -0.700 -10.767 -15.136 55 H THR 8 H THR 8 -2.406 -11.807 -18.451 56 HA THR 8 HA THR 8 -3.998 -14.285 -18.308 57 HB THR 8 HB THR 8 -3.957 -13.445 -20.984 58 HG1 THR 8 HG1 THR 8 -4.325 -11.293 -19.164 59 HG21 THR 8 3HG2 THR 8 -5.898 -13.814 -18.817 60 HG22 THR 8 1HG2 THR 8 -5.965 -14.339 -20.499 61 HG23 THR 8 2HG2 THR 8 -6.418 -12.689 -20.071 62 H LYS 9 H LYS 9 -3.381 -16.038 -19.638 63 HA LYS 9 HA LYS 9 -0.541 -16.313 -19.937 64 HB2 LYS 9 2HB LYS 9 -0.959 -18.588 -20.421 65 HB3 LYS 9 3HB LYS 9 -2.166 -18.137 -19.224 66 HG2 LYS 9 2HG LYS 9 -3.842 -17.914 -20.966 67 HG3 LYS 9 3HG LYS 9 -2.635 -18.299 -22.195 68 HD2 LYS 9 2HD LYS 9 -3.484 -20.129 -19.950 69 HD3 LYS 9 3HD LYS 9 -4.046 -20.236 -21.620 70 HE2 LYS 9 2HE LYS 9 -1.204 -20.551 -20.658 71 HE3 LYS 9 3HE LYS 9 -2.268 -21.840 -21.219 72 HZ1 LYS 9 3HZ LYS 9 -2.317 -20.126 -23.288 73 HZ2 LYS 9 1HZ LYS 9 -1.290 -21.466 -23.178 74 HZ3 LYS 9 2HZ LYS 9 -0.729 -19.932 -22.740 75 H SER 10 H SER 10 -3.173 -15.455 -21.992 76 HA SER 10 HA SER 10 -1.791 -16.070 -24.453 77 HB2 SER 10 2HB SER 10 -4.474 -15.342 -23.678 78 HB3 SER 10 3HB SER 10 -3.922 -14.311 -24.998 79 HG SER 10 HG SER 10 -4.725 -16.850 -25.101 80 H LYS 11 H LYS 11 -2.709 -13.135 -22.676 81 HA LYS 11 HA LYS 11 -1.169 -11.476 -24.500 82 HB2 LYS 11 2HB LYS 11 -2.534 -10.569 -21.971 83 HB3 LYS 11 3HB LYS 11 -2.111 -9.607 -23.381 84 HG2 LYS 11 2HG LYS 11 -3.800 -10.727 -24.697 85 HG3 LYS 11 3HG LYS 11 -4.183 -11.792 -23.343 86 HD2 LYS 11 2HD LYS 11 -4.674 -9.634 -22.043 87 HD3 LYS 11 3HD LYS 11 -4.691 -8.846 -23.622 88 HE2 LYS 11 2HE LYS 11 -6.273 -11.294 -23.538 89 HE3 LYS 11 3HE LYS 11 -6.832 -10.068 -22.401 90 HZ1 LYS 11 3HZ LYS 11 -6.649 -8.505 -24.414 91 HZ2 LYS 11 1HZ LYS 11 -7.969 -9.560 -24.328 92 HZ3 LYS 11 2HZ LYS 11 -6.662 -9.921 -25.339 93 H ASN 12 H ASN 12 -0.680 -13.181 -21.608 94 HA ASN 12 HA ASN 12 0.960 -13.190 -20.020 95 HB2 ASN 12 2HB ASN 12 2.116 -13.216 -22.564 96 HB3 ASN 12 3HB ASN 12 3.065 -12.042 -21.655 97 HD21 ASN 12 1HD2 ASN 12 4.758 -12.874 -20.696 98 HD22 ASN 12 2HD2 ASN 12 4.899 -14.480 -20.075 99 H GLU 13 H GLU 13 -0.620 -10.786 -20.128 100 HA GLU 13 HA GLU 13 1.330 -8.909 -18.975 101 HB2 GLU 13 2HB GLU 13 0.325 -7.047 -20.000 102 HB3 GLU 13 3HB GLU 13 0.448 -8.245 -21.280 103 HG2 GLU 13 2HG GLU 13 -2.002 -8.825 -20.379 104 HG3 GLU 13 3HG GLU 13 -1.934 -7.113 -19.962 105 H CYS 14 H CYS 14 0.757 -7.960 -17.080 106 HA CYS 14 HA CYS 14 -1.697 -8.941 -15.829 107 HB2 CYS 14 2HB CYS 14 0.743 -8.991 -14.819 108 HB3 CYS 14 3HB CYS 14 0.349 -7.341 -14.350 109 H LYS 15 H LYS 15 -2.831 -7.396 -14.334 110 HA LYS 15 HA LYS 15 -2.753 -4.617 -15.247 111 HB2 LYS 15 2HB LYS 15 -5.152 -4.529 -15.582 112 HB3 LYS 15 3HB LYS 15 -4.460 -5.776 -16.612 113 HG2 LYS 15 2HG LYS 15 -6.149 -7.017 -15.824 114 HG3 LYS 15 3HG LYS 15 -5.091 -7.234 -14.428 115 HD2 LYS 15 2HD LYS 15 -6.902 -6.502 -13.291 116 HD3 LYS 15 3HD LYS 15 -6.285 -4.914 -13.756 117 HE2 LYS 15 2HE LYS 15 -8.200 -6.429 -15.501 118 HE3 LYS 15 3HE LYS 15 -8.769 -5.422 -14.170 119 HZ1 LYS 15 3HZ LYS 15 -7.005 -3.828 -15.499 120 HZ2 LYS 15 1HZ LYS 15 -8.691 -3.757 -15.620 121 HZ3 LYS 15 2HZ LYS 15 -7.800 -4.648 -16.747 122 H TYR 16 H TYR 16 -2.723 -3.300 -13.556 123 HA TYR 16 HA TYR 16 -4.048 -4.161 -11.072 124 HB2 TYR 16 2HB TYR 16 -2.196 -2.921 -9.861 125 HB3 TYR 16 3HB TYR 16 -1.728 -4.432 -10.633 126 HD1 TYR 16 HD2 TYR 16 -0.371 -4.404 -12.692 127 HD2 TYR 16 HD1 TYR 16 -1.304 -0.820 -10.597 128 HE1 TYR 16 HE2 TYR 16 1.413 -3.232 -13.914 129 HE2 TYR 16 HE1 TYR 16 0.478 0.362 -11.814 130 HH TYR 16 HH TYR 16 1.677 0.048 -14.083 131 H LYS 17 H LYS 17 -4.522 -2.328 -9.587 132 HA LYS 17 HA LYS 17 -5.381 0.012 -11.148 133 HB2 LYS 17 2HB LYS 17 -6.656 -1.612 -9.123 134 HB3 LYS 17 3HB LYS 17 -6.635 0.079 -8.641 135 HG2 LYS 17 2HG LYS 17 -7.636 0.645 -10.854 136 HG3 LYS 17 3HG LYS 17 -7.806 -1.086 -11.156 137 HD2 LYS 17 2HD LYS 17 -8.870 -0.108 -8.582 138 HD3 LYS 17 3HD LYS 17 -9.726 0.432 -10.028 139 HE2 LYS 17 2HE LYS 17 -10.026 -1.866 -10.741 140 HE3 LYS 17 3HE LYS 17 -9.090 -2.441 -9.362 141 HZ1 LYS 17 3HZ LYS 17 -11.353 -0.753 -8.708 142 HZ2 LYS 17 1HZ LYS 17 -10.816 -2.179 -7.973 143 HZ3 LYS 17 2HZ LYS 17 -11.750 -2.253 -9.381 144 H ASN 18 H ASN 18 -4.250 1.810 -10.883 145 HA ASN 18 HA ASN 18 -2.363 2.096 -8.740 146 HB2 ASN 18 2HB ASN 18 -1.974 4.363 -9.800 147 HB3 ASN 18 3HB ASN 18 -1.705 2.979 -10.855 148 HD21 ASN 18 1HD2 ASN 18 -1.945 4.698 -12.492 149 HD22 ASN 18 2HD2 ASN 18 -3.536 5.060 -13.061 150 H ASP 19 H ASP 19 -2.317 4.501 -7.787 151 HA ASP 19 HA ASP 19 -4.429 4.631 -5.936 152 HB2 ASP 19 2HB ASP 19 -2.286 5.537 -5.343 153 HB3 ASP 19 3HB ASP 19 -2.324 6.658 -6.701 154 H ALA 20 H ALA 20 -4.079 5.918 -9.110 155 HA ALA 20 HA ALA 20 -5.985 8.031 -8.870 156 HB1 ALA 20 1HB ALA 20 -5.787 8.278 -11.225 157 HB2 ALA 20 2HB ALA 20 -4.181 7.888 -10.610 158 HB3 ALA 20 3HB ALA 20 -5.145 6.645 -11.406 159 H GLY 21 H GLY 21 -6.253 4.654 -9.074 160 HA2 GLY 21 2HA GLY 21 -8.269 3.472 -8.816 161 HA3 GLY 21 3HA GLY 21 -9.146 4.891 -9.369 162 H LYS 22 H LYS 22 -7.043 4.969 -11.637 163 HA LYS 22 HA LYS 22 -8.665 3.611 -13.550 164 HB2 LYS 22 2HB LYS 22 -6.123 5.186 -13.648 165 HB3 LYS 22 3HB LYS 22 -6.580 4.215 -15.042 166 HG2 LYS 22 2HG LYS 22 -8.372 5.532 -15.550 167 HG3 LYS 22 3HG LYS 22 -8.612 6.043 -13.878 168 HD2 LYS 22 2HD LYS 22 -6.250 7.176 -14.272 169 HD3 LYS 22 3HD LYS 22 -6.776 7.120 -15.956 170 HE2 LYS 22 2HE LYS 22 -8.230 8.786 -15.651 171 HE3 LYS 22 3HE LYS 22 -8.871 8.059 -14.179 172 HZ1 LYS 22 3HZ LYS 22 -6.253 9.155 -13.812 173 HZ2 LYS 22 1HZ LYS 22 -7.667 9.422 -12.922 174 HZ3 LYS 22 2HZ LYS 22 -7.366 10.323 -14.321 175 H ASP 23 H ASP 23 -8.137 1.834 -14.851 176 HA ASP 23 HA ASP 23 -6.465 -0.133 -13.527 177 HB2 ASP 23 2HB ASP 23 -7.417 -1.720 -15.136 178 HB3 ASP 23 3HB ASP 23 -8.686 -0.792 -14.341 179 H THR 24 H THR 24 -4.405 -0.424 -14.021 180 HA THR 24 HA THR 24 -3.462 0.411 -16.685 181 HB THR 24 HB THR 24 -1.604 0.032 -14.364 182 HG1 THR 24 HG1 THR 24 -2.017 2.104 -13.673 183 HG21 THR 24 3HG2 THR 24 -1.521 2.038 -16.609 184 HG22 THR 24 1HG2 THR 24 -0.840 0.418 -16.751 185 HG23 THR 24 2HG2 THR 24 -0.206 1.539 -15.546 186 H PHE 25 H PHE 25 -2.591 -1.069 -17.996 187 HA PHE 25 HA PHE 25 -2.058 -3.743 -16.883 188 HB2 PHE 25 2HB PHE 25 -2.404 -4.500 -19.293 189 HB3 PHE 25 3HB PHE 25 -3.836 -3.937 -18.436 190 HD1 PHE 25 HD1 PHE 25 -1.338 -3.069 -20.996 191 HD2 PHE 25 HD2 PHE 25 -5.027 -2.015 -19.154 192 HE1 PHE 25 HE1 PHE 25 -1.771 -1.451 -22.798 193 HE2 PHE 25 HE2 PHE 25 -5.467 -0.396 -20.953 194 HZ PHE 25 HZ PHE 25 -3.838 -0.113 -22.779 195 H ILE 26 H ILE 26 -0.135 -4.733 -17.269 196 HA ILE 26 HA ILE 26 1.773 -3.455 -19.086 197 HB ILE 26 HB ILE 26 2.143 -2.581 -16.755 198 HG12 ILE 26 2HG1 ILE 26 4.610 -4.084 -17.285 199 HG13 ILE 26 3HG1 ILE 26 3.941 -3.289 -18.706 200 HG21 ILE 26 1HG2 ILE 26 2.999 -5.422 -16.220 201 HG22 ILE 26 2HG2 ILE 26 3.183 -4.057 -15.120 202 HG23 ILE 26 3HG2 ILE 26 1.572 -4.632 -15.549 203 HD11 ILE 26 3HD1 ILE 26 3.961 -1.544 -16.400 204 HD12 ILE 26 1HD1 ILE 26 5.569 -2.152 -16.794 205 HD13 ILE 26 2HD1 ILE 26 4.625 -1.297 -18.015 206 H LYS 27 H LYS 27 3.238 -4.837 -20.017 207 HA LYS 27 HA LYS 27 2.557 -7.577 -20.139 208 HB2 LYS 27 2HB LYS 27 4.934 -7.638 -21.292 209 HB3 LYS 27 3HB LYS 27 3.553 -6.900 -22.091 210 HG2 LYS 27 2HG LYS 27 5.622 -5.557 -22.241 211 HG3 LYS 27 3HG LYS 27 4.285 -4.705 -21.465 212 HD2 LYS 27 2HD LYS 27 5.228 -4.984 -19.316 213 HD3 LYS 27 3HD LYS 27 6.390 -6.179 -19.899 214 HE2 LYS 27 2HE LYS 27 7.087 -4.121 -21.452 215 HE3 LYS 27 3HE LYS 27 6.440 -3.221 -20.081 216 HZ1 LYS 27 3HZ LYS 27 7.984 -4.242 -18.630 217 HZ2 LYS 27 1HZ LYS 27 8.869 -3.722 -19.975 218 HZ3 LYS 27 2HZ LYS 27 8.476 -5.358 -19.803 219 H CYS 28 H CYS 28 3.699 -9.409 -19.436 220 HA CYS 28 HA CYS 28 5.310 -8.936 -17.029 221 HB2 CYS 28 2HB CYS 28 3.488 -11.124 -17.919 222 HB3 CYS 28 3HB CYS 28 4.822 -11.542 -16.849 223 HA PRO 29 HA PRO 29 9.006 -10.549 -18.754 224 HB2 PRO 29 2HB PRO 29 10.012 -12.031 -16.715 225 HB3 PRO 29 3HB PRO 29 9.983 -10.264 -16.694 226 HG2 PRO 29 2HG PRO 29 8.112 -12.205 -15.393 227 HG3 PRO 29 3HG PRO 29 8.809 -10.712 -14.737 228 HD2 PRO 29 2HD PRO 29 6.283 -10.839 -15.704 229 HD3 PRO 29 3HD PRO 29 7.278 -9.373 -15.821 230 H LYS 30 H LYS 30 9.663 -12.217 -20.000 231 HA LYS 30 HA LYS 30 8.005 -14.597 -20.063 232 HB2 LYS 30 2HB LYS 30 8.971 -13.174 -22.071 233 HB3 LYS 30 3HB LYS 30 10.365 -14.224 -21.857 234 HG2 LYS 30 2HG LYS 30 9.291 -15.572 -23.280 235 HG3 LYS 30 3HG LYS 30 8.341 -16.033 -21.865 236 HD2 LYS 30 2HD LYS 30 7.065 -13.762 -22.725 237 HD3 LYS 30 3HD LYS 30 7.564 -14.517 -24.241 238 HE2 LYS 30 2HE LYS 30 6.221 -16.116 -22.092 239 HE3 LYS 30 3HE LYS 30 5.274 -15.148 -23.221 240 HZ1 LYS 30 3HZ LYS 30 5.770 -16.505 -24.948 241 HZ2 LYS 30 1HZ LYS 30 5.908 -17.648 -23.708 242 HZ3 LYS 30 2HZ LYS 30 7.296 -16.926 -24.350 243 H PHE 31 H PHE 31 10.358 -13.833 -18.098 244 HA PHE 31 HA PHE 31 12.185 -16.021 -18.414 245 HB2 PHE 31 2HB PHE 31 11.735 -13.989 -16.234 246 HB3 PHE 31 3HB PHE 31 12.908 -15.291 -16.068 247 HD1 PHE 31 HD1 PHE 31 14.855 -15.400 -17.588 248 HD2 PHE 31 HD2 PHE 31 12.179 -12.090 -17.577 249 HE1 PHE 31 HE1 PHE 31 16.528 -14.048 -18.784 250 HE2 PHE 31 HE2 PHE 31 13.847 -10.733 -18.774 251 HZ PHE 31 HZ PHE 31 16.024 -11.712 -19.379 252 H ASP 32 H ASP 32 12.340 -17.890 -17.187 253 HA ASP 32 HA ASP 32 9.936 -19.126 -16.436 254 HB2 ASP 32 2HB ASP 32 12.830 -19.794 -16.176 255 HB3 ASP 32 3HB ASP 32 11.682 -20.718 -15.212 256 H ASN 33 H ASN 33 11.958 -16.968 -14.738 257 HA ASN 33 HA ASN 33 11.428 -17.824 -12.085 258 HB2 ASN 33 2HB ASN 33 12.025 -14.976 -12.862 259 HB3 ASN 33 3HB ASN 33 12.469 -15.826 -11.385 260 HD21 ASN 33 1HD2 ASN 33 13.778 -14.510 -13.959 261 HD22 ASN 33 2HD2 ASN 33 15.116 -15.567 -14.241 262 H LYS 34 H LYS 34 9.756 -15.740 -14.346 263 HA LYS 34 HA LYS 34 7.373 -15.838 -12.728 264 HB2 LYS 34 2HB LYS 34 8.942 -13.309 -13.082 265 HB3 LYS 34 3HB LYS 34 7.189 -13.240 -12.959 266 HG2 LYS 34 2HG LYS 34 7.529 -13.109 -10.762 267 HG3 LYS 34 3HG LYS 34 7.854 -14.842 -10.846 268 HD2 LYS 34 2HD LYS 34 9.682 -13.923 -9.682 269 HD3 LYS 34 3HD LYS 34 10.272 -14.206 -11.322 270 HE2 LYS 34 2HE LYS 34 9.081 -11.577 -11.022 271 HE3 LYS 34 3HE LYS 34 10.413 -11.833 -9.896 272 HZ1 LYS 34 3HZ LYS 34 11.532 -12.763 -12.080 273 HZ2 LYS 34 1HZ LYS 34 11.572 -11.117 -11.689 274 HZ3 LYS 34 2HZ LYS 34 10.446 -11.692 -12.812 275 H LYS 35 H LYS 35 5.716 -16.113 -14.061 276 HA LYS 35 HA LYS 35 5.357 -14.583 -16.439 277 HB2 LYS 35 2HB LYS 35 5.512 -16.347 -18.080 278 HB3 LYS 35 3HB LYS 35 7.042 -16.233 -17.221 279 HG2 LYS 35 2HG LYS 35 6.711 -18.228 -16.098 280 HG3 LYS 35 3HG LYS 35 4.962 -18.189 -16.337 281 HD2 LYS 35 2HD LYS 35 5.171 -19.425 -18.172 282 HD3 LYS 35 3HD LYS 35 6.228 -18.207 -18.890 283 HE2 LYS 35 2HE LYS 35 8.099 -19.374 -18.424 284 HE3 LYS 35 3HE LYS 35 7.491 -19.920 -16.862 285 HZ1 LYS 35 3HZ LYS 35 6.088 -21.086 -19.073 286 HZ2 LYS 35 1HZ LYS 35 6.806 -21.833 -17.735 287 HZ3 LYS 35 2HZ LYS 35 7.740 -21.451 -19.092 288 H CYS 36 H CYS 36 3.413 -15.457 -17.713 289 HA CYS 36 HA CYS 36 1.399 -16.294 -15.755 290 HB2 CYS 36 2HB CYS 36 1.395 -14.259 -17.630 291 HB3 CYS 36 3HB CYS 36 0.418 -15.509 -18.393 292 H THR 37 H THR 37 0.809 -18.349 -15.735 293 HA THR 37 HA THR 37 1.212 -19.982 -18.135 294 HB THR 37 HB THR 37 0.472 -21.791 -16.275 295 HG1 THR 37 HG1 THR 37 1.390 -21.161 -14.282 296 HG21 THR 37 3HG2 THR 37 2.458 -22.184 -17.411 297 HG22 THR 37 1HG2 THR 37 3.018 -21.913 -15.762 298 HG23 THR 37 2HG2 THR 37 3.144 -20.624 -16.959 299 H LYS 38 H LYS 38 -1.260 -18.845 -15.935 300 HA LYS 38 HA LYS 38 -3.295 -20.024 -17.707 301 HB2 LYS 38 2HB LYS 38 -2.924 -20.935 -15.214 302 HB3 LYS 38 3HB LYS 38 -3.986 -19.582 -14.851 303 HG2 LYS 38 2HG LYS 38 -5.694 -20.913 -15.314 304 HG3 LYS 38 3HG LYS 38 -5.190 -20.865 -17.005 305 HD2 LYS 38 2HD LYS 38 -4.119 -22.836 -14.990 306 HD3 LYS 38 3HD LYS 38 -5.487 -23.167 -16.056 307 HE2 LYS 38 2HE LYS 38 -3.651 -22.275 -17.837 308 HE3 LYS 38 3HE LYS 38 -2.606 -23.046 -16.645 309 HZ1 LYS 38 3HZ LYS 38 -4.975 -24.446 -17.712 310 HZ2 LYS 38 1HZ LYS 38 -3.589 -25.100 -16.995 311 HZ3 LYS 38 2HZ LYS 38 -3.509 -24.456 -18.557 312 H ASP 39 H ASP 39 -5.260 -18.834 -17.902 313 HA ASP 39 HA ASP 39 -4.860 -16.008 -17.946 314 HB2 ASP 39 2HB ASP 39 -7.221 -15.942 -18.754 315 HB3 ASP 39 3HB ASP 39 -6.191 -17.030 -19.680 316 H ASN 40 H ASN 40 -6.199 -14.419 -16.892 317 HA ASN 40 HA ASN 40 -7.160 -13.439 -15.078 318 HB2 ASN 40 2HB ASN 40 -8.803 -15.480 -15.628 319 HB3 ASN 40 3HB ASN 40 -8.256 -16.001 -14.037 320 HD21 ASN 40 1HD2 ASN 40 -8.366 -14.289 -12.324 321 HD22 ASN 40 2HD2 ASN 40 -9.762 -13.271 -12.322 322 H ASN 41 H ASN 41 -4.541 -15.003 -14.966 323 HA ASN 41 HA ASN 41 -4.168 -16.084 -12.416 324 HB2 ASN 41 2HB ASN 41 -2.571 -15.570 -14.663 325 HB3 ASN 41 3HB ASN 41 -1.800 -14.701 -13.339 326 HD21 ASN 41 1HD2 ASN 41 -1.050 -17.144 -14.862 327 HD22 ASN 41 2HD2 ASN 41 -0.758 -18.347 -13.657 328 H LYS 42 H LYS 42 -2.153 -14.813 -11.141 329 HA LYS 42 HA LYS 42 -3.139 -12.115 -10.532 330 HB2 LYS 42 2HB LYS 42 -3.474 -14.383 -8.872 331 HB3 LYS 42 3HB LYS 42 -2.235 -13.385 -8.123 332 HG2 LYS 42 2HG LYS 42 -4.261 -12.666 -7.195 333 HG3 LYS 42 3HG LYS 42 -3.841 -11.441 -8.394 334 HD2 LYS 42 2HD LYS 42 -6.182 -11.946 -8.594 335 HD3 LYS 42 3HD LYS 42 -5.344 -12.588 -10.009 336 HE2 LYS 42 2HE LYS 42 -5.617 -14.776 -9.342 337 HE3 LYS 42 3HE LYS 42 -5.759 -14.349 -7.638 338 HZ1 LYS 42 3HZ LYS 42 -7.904 -14.932 -8.255 339 HZ2 LYS 42 1HZ LYS 42 -7.803 -14.164 -9.759 340 HZ3 LYS 42 2HZ LYS 42 -7.935 -13.243 -8.347 341 H CYS 43 H CYS 43 -1.593 -10.697 -9.626 342 HA CYS 43 HA CYS 43 1.180 -11.652 -9.591 343 HB2 CYS 43 2HB CYS 43 0.576 -8.991 -10.824 344 HB3 CYS 43 3HB CYS 43 1.969 -10.040 -11.064 345 H THR 44 H THR 44 2.617 -9.655 -8.852 346 HA THR 44 HA THR 44 1.239 -8.175 -6.728 347 HB THR 44 HB THR 44 3.688 -8.816 -5.582 348 HG1 THR 44 HG1 THR 44 3.710 -10.543 -7.256 349 HG21 THR 44 3HG2 THR 44 2.388 -9.458 -3.848 350 HG22 THR 44 1HG2 THR 44 1.407 -10.532 -4.845 351 HG23 THR 44 2HG2 THR 44 1.087 -8.798 -4.838 352 H VAL 45 H VAL 45 2.055 -6.166 -6.314 353 HA VAL 45 HA VAL 45 4.557 -5.385 -7.635 354 HB VAL 45 HB VAL 45 1.980 -3.818 -7.833 355 HG11 VAL 45 1HG1 VAL 45 3.577 -2.166 -7.795 356 HG12 VAL 45 2HG1 VAL 45 4.816 -3.195 -8.517 357 HG13 VAL 45 3HG1 VAL 45 3.521 -2.536 -9.519 358 HG21 VAL 45 3HG2 VAL 45 1.619 -5.303 -9.496 359 HG22 VAL 45 1HG2 VAL 45 2.739 -4.264 -10.378 360 HG23 VAL 45 2HG2 VAL 45 3.322 -5.745 -9.618 361 H ASP 46 H ASP 46 5.856 -4.339 -6.286 362 HA ASP 46 HA ASP 46 4.701 -3.180 -3.844 363 HB2 ASP 46 2HB ASP 46 6.995 -4.824 -4.333 364 HB3 ASP 46 3HB ASP 46 7.531 -3.284 -3.668 365 H THR 47 H THR 47 4.836 -1.058 -3.444 366 HA THR 47 HA THR 47 5.943 0.662 -5.496 367 HB THR 47 HB THR 47 5.000 2.117 -3.198 368 HG1 THR 47 HG1 THR 47 3.274 1.021 -2.671 369 HG21 THR 47 3HG2 THR 47 5.047 3.005 -5.460 370 HG22 THR 47 1HG2 THR 47 3.393 3.002 -4.850 371 HG23 THR 47 2HG2 THR 47 3.913 1.765 -5.994 372 H TYR 48 H TYR 48 6.926 -0.621 -2.494 373 HA TYR 48 HA TYR 48 8.758 1.527 -1.854 374 HB2 TYR 48 2HB TYR 48 7.696 -0.811 -0.507 375 HB3 TYR 48 3HB TYR 48 9.442 -0.706 -0.317 376 HD1 TYR 48 HD2 TYR 48 10.203 1.891 0.147 377 HD2 TYR 48 HD1 TYR 48 6.481 0.123 1.205 378 HE1 TYR 48 HE2 TYR 48 9.913 3.575 1.916 379 HE2 TYR 48 HE1 TYR 48 6.180 1.802 2.976 380 HH TYR 48 HH TYR 48 8.452 3.533 4.275 381 H ASN 49 H ASN 49 8.914 -1.760 -3.141 382 HA ASN 49 HA ASN 49 11.791 -1.419 -3.620 383 HB2 ASN 49 2HB ASN 49 10.316 -3.991 -4.081 384 HB3 ASN 49 3HB ASN 49 12.007 -3.741 -3.655 385 HD21 ASN 49 1HD2 ASN 49 9.765 -5.340 -2.457 386 HD22 ASN 49 2HD2 ASN 49 9.764 -4.894 -0.788 387 H ASN 50 H ASN 50 8.890 -1.023 -5.170 388 HA ASN 50 HA ASN 50 8.222 -0.874 -7.344 389 HB2 ASN 50 2HB ASN 50 10.091 0.815 -7.232 390 HB3 ASN 50 3HB ASN 50 11.154 -0.412 -7.915 391 HD21 ASN 50 1HD2 ASN 50 11.239 1.552 -9.441 392 HD22 ASN 50 2HD2 ASN 50 10.176 1.477 -10.800 393 H ALA 51 H ALA 51 9.001 -3.516 -6.357 394 HA ALA 51 HA ALA 51 9.969 -4.782 -8.829 395 HB1 ALA 51 1HB ALA 51 10.293 -6.796 -7.363 396 HB2 ALA 51 2HB ALA 51 11.311 -5.410 -6.972 397 HB3 ALA 51 3HB ALA 51 9.894 -5.769 -5.986 398 H VAL 52 H VAL 52 8.700 -6.124 -9.981 399 HA VAL 52 HA VAL 52 5.995 -6.654 -8.936 400 HB VAL 52 HB VAL 52 5.141 -6.618 -11.164 401 HG11 VAL 52 1HG1 VAL 52 6.887 -4.273 -11.467 402 HG12 VAL 52 2HG1 VAL 52 5.128 -4.379 -11.390 403 HG13 VAL 52 3HG1 VAL 52 6.081 -4.410 -9.905 404 HG21 VAL 52 3HG2 VAL 52 6.781 -6.002 -13.057 405 HG22 VAL 52 1HG2 VAL 52 8.030 -6.593 -11.961 406 HG23 VAL 52 2HG2 VAL 52 6.739 -7.672 -12.491 407 H ASP 53 H ASP 53 5.114 -8.690 -9.161 408 HA ASP 53 HA ASP 53 6.822 -10.782 -10.315 409 HB2 ASP 53 2HB ASP 53 6.571 -10.406 -7.587 410 HB3 ASP 53 3HB ASP 53 5.382 -11.660 -7.928 411 H CYS 54 H CYS 54 5.743 -12.026 -11.688 412 HA CYS 54 HA CYS 54 2.809 -11.962 -11.626 413 HB2 CYS 54 2HB CYS 54 4.621 -12.890 -13.863 414 HB3 CYS 54 3HB CYS 54 2.881 -12.637 -13.953 415 H ASP 55 H ASP 55 1.592 -13.800 -11.508 416 HA ASP 55 HA ASP 55 2.544 -16.002 -10.125 417 HB2 ASP 55 2HB ASP 55 0.079 -15.324 -11.581 418 HB3 ASP 55 3HB ASP 55 0.399 -17.051 -11.459 Start of MODEL 8 1 H1 ALA 1 H ALA 1 0.487 -0.035 0.574 2 HA ALA 1 HA ALA 1 1.695 0.658 -1.763 3 HB1 ALA 1 1HB ALA 1 3.047 -1.430 -0.127 4 HB2 ALA 1 2HB ALA 1 3.690 0.065 -0.807 5 HB3 ALA 1 3HB ALA 1 2.660 0.119 0.623 6 H LYS 2 H LYS 2 0.343 -2.438 -0.944 7 HA LYS 2 HA LYS 2 1.504 -3.685 -3.321 8 HB2 LYS 2 2HB LYS 2 -0.110 -4.808 -1.028 9 HB3 LYS 2 3HB LYS 2 0.390 -5.757 -2.423 10 HG2 LYS 2 2HG LYS 2 2.744 -5.263 -1.874 11 HG3 LYS 2 3HG LYS 2 2.199 -4.408 -0.429 12 HD2 LYS 2 2HD LYS 2 2.032 -6.320 0.697 13 HD3 LYS 2 3HD LYS 2 0.988 -7.010 -0.548 14 HE2 LYS 2 2HE LYS 2 3.135 -7.431 -1.865 15 HE3 LYS 2 3HE LYS 2 3.987 -7.089 -0.360 16 HZ1 LYS 2 3HZ LYS 2 3.521 -9.107 0.394 17 HZ2 LYS 2 1HZ LYS 2 2.934 -9.502 -1.143 18 HZ3 LYS 2 2HZ LYS 2 1.872 -8.945 0.051 19 H TYR 3 H TYR 3 0.287 -4.456 -5.024 20 HA TYR 3 HA TYR 3 -2.570 -3.750 -5.027 21 HB2 TYR 3 2HB TYR 3 -0.631 -3.348 -7.315 22 HB3 TYR 3 3HB TYR 3 -2.362 -3.034 -7.370 23 HD1 TYR 3 HD2 TYR 3 -2.831 -1.667 -4.819 24 HD2 TYR 3 HD1 TYR 3 0.394 -1.277 -7.567 25 HE1 TYR 3 HE2 TYR 3 -2.443 0.629 -4.028 26 HE2 TYR 3 HE1 TYR 3 0.792 1.020 -6.783 27 HH TYR 3 HH TYR 3 -1.004 2.369 -4.063 28 H THR 4 H THR 4 -3.913 -5.283 -5.765 29 HA THR 4 HA THR 4 -2.722 -7.792 -6.694 30 HB THR 4 HB THR 4 -5.628 -7.728 -6.229 31 HG1 THR 4 HG1 THR 4 -5.311 -7.675 -3.924 32 HG21 THR 4 3HG2 THR 4 -3.318 -9.482 -5.427 33 HG22 THR 4 1HG2 THR 4 -4.623 -9.841 -6.556 34 HG23 THR 4 2HG2 THR 4 -4.955 -9.744 -4.827 35 H GLY 5 H GLY 5 -2.780 -8.334 -8.771 36 HA2 GLY 5 2HA GLY 5 -4.996 -7.341 -10.433 37 HA3 GLY 5 3HA GLY 5 -3.340 -7.089 -10.964 38 H LYS 6 H LYS 6 -5.199 -8.468 -12.503 39 HA LYS 6 HA LYS 6 -4.255 -11.252 -12.294 40 HB2 LYS 6 2HB LYS 6 -6.733 -10.307 -13.737 41 HB3 LYS 6 3HB LYS 6 -6.271 -11.967 -13.381 42 HG2 LYS 6 2HG LYS 6 -7.518 -11.841 -11.557 43 HG3 LYS 6 3HG LYS 6 -6.350 -10.689 -10.904 44 HD2 LYS 6 2HD LYS 6 -8.205 -9.387 -10.763 45 HD3 LYS 6 3HD LYS 6 -7.769 -9.021 -12.434 46 HE2 LYS 6 2HE LYS 6 -9.281 -10.913 -13.123 47 HE3 LYS 6 3HE LYS 6 -9.835 -10.980 -11.450 48 HZ1 LYS 6 3HZ LYS 6 -11.264 -9.377 -11.929 49 HZ2 LYS 6 1HZ LYS 6 -10.666 -9.249 -13.506 50 HZ3 LYS 6 2HZ LYS 6 -9.983 -8.325 -12.265 51 H CYS 7 H CYS 7 -3.528 -12.303 -14.146 52 HA CYS 7 HA CYS 7 -3.136 -10.611 -16.523 53 HB2 CYS 7 2HB CYS 7 -0.887 -11.155 -16.703 54 HB3 CYS 7 3HB CYS 7 -1.080 -11.003 -14.959 55 H THR 8 H THR 8 -2.627 -11.884 -18.495 56 HA THR 8 HA THR 8 -4.201 -14.368 -18.504 57 HB THR 8 HB THR 8 -3.770 -13.664 -21.158 58 HG1 THR 8 HG1 THR 8 -4.552 -11.410 -21.071 59 HG21 THR 8 3HG2 THR 8 -6.048 -13.394 -19.239 60 HG22 THR 8 1HG2 THR 8 -5.866 -14.481 -20.615 61 HG23 THR 8 2HG2 THR 8 -6.210 -12.772 -20.881 62 H LYS 9 H LYS 9 -3.456 -16.200 -19.617 63 HA LYS 9 HA LYS 9 -0.612 -16.565 -19.522 64 HB2 LYS 9 2HB LYS 9 -1.942 -18.418 -18.846 65 HB3 LYS 9 3HB LYS 9 -2.905 -18.355 -20.316 66 HG2 LYS 9 2HG LYS 9 -0.993 -19.080 -21.626 67 HG3 LYS 9 3HG LYS 9 0.013 -19.092 -20.176 68 HD2 LYS 9 2HD LYS 9 -1.981 -20.673 -19.338 69 HD3 LYS 9 3HD LYS 9 -2.065 -21.002 -21.070 70 HE2 LYS 9 2HE LYS 9 0.323 -21.567 -21.064 71 HE3 LYS 9 3HE LYS 9 0.386 -21.260 -19.329 72 HZ1 LYS 9 3HZ LYS 9 -1.611 -23.167 -20.271 73 HZ2 LYS 9 1HZ LYS 9 -0.686 -23.179 -18.855 74 HZ3 LYS 9 2HZ LYS 9 0.005 -23.664 -20.320 75 H SER 10 H SER 10 -2.935 -15.786 -21.955 76 HA SER 10 HA SER 10 -1.205 -16.529 -24.158 77 HB2 SER 10 2HB SER 10 -3.982 -16.009 -23.838 78 HB3 SER 10 3HB SER 10 -3.357 -14.843 -25.004 79 HG SER 10 HG SER 10 -3.720 -17.540 -25.252 80 H LYS 11 H LYS 11 -2.471 -13.535 -22.728 81 HA LYS 11 HA LYS 11 -0.764 -11.914 -24.424 82 HB2 LYS 11 2HB LYS 11 -3.210 -11.467 -23.307 83 HB3 LYS 11 3HB LYS 11 -2.162 -10.623 -22.173 84 HG2 LYS 11 2HG LYS 11 -1.242 -9.288 -23.975 85 HG3 LYS 11 3HG LYS 11 -2.224 -10.167 -25.150 86 HD2 LYS 11 2HD LYS 11 -4.054 -8.961 -24.682 87 HD3 LYS 11 3HD LYS 11 -3.776 -9.054 -22.941 88 HE2 LYS 11 2HE LYS 11 -2.093 -7.276 -23.130 89 HE3 LYS 11 3HE LYS 11 -2.402 -7.176 -24.863 90 HZ1 LYS 11 3HZ LYS 11 -3.940 -6.129 -22.653 91 HZ2 LYS 11 1HZ LYS 11 -4.867 -6.892 -23.846 92 HZ3 LYS 11 2HZ LYS 11 -3.853 -5.603 -24.259 93 H ASN 12 H ASN 12 -0.575 -13.448 -21.402 94 HA ASN 12 HA ASN 12 0.860 -13.310 -19.631 95 HB2 ASN 12 2HB ASN 12 2.329 -13.921 -21.640 96 HB3 ASN 12 3HB ASN 12 2.857 -12.241 -21.621 97 HD21 ASN 12 1HD2 ASN 12 4.578 -14.396 -21.266 98 HD22 ASN 12 2HD2 ASN 12 5.202 -14.347 -19.656 99 H GLU 13 H GLU 13 -0.759 -10.969 -20.076 100 HA GLU 13 HA GLU 13 1.018 -8.925 -18.916 101 HB2 GLU 13 2HB GLU 13 0.446 -8.047 -21.019 102 HB3 GLU 13 3HB GLU 13 -1.206 -8.637 -20.916 103 HG2 GLU 13 2HG GLU 13 -1.921 -6.814 -19.847 104 HG3 GLU 13 3HG GLU 13 -0.498 -6.744 -18.810 105 H CYS 14 H CYS 14 0.448 -8.148 -16.984 106 HA CYS 14 HA CYS 14 -2.061 -9.087 -15.814 107 HB2 CYS 14 2HB CYS 14 0.297 -9.293 -14.723 108 HB3 CYS 14 3HB CYS 14 0.065 -7.599 -14.304 109 H LYS 15 H LYS 15 -3.291 -7.597 -14.423 110 HA LYS 15 HA LYS 15 -3.076 -4.778 -15.196 111 HB2 LYS 15 2HB LYS 15 -4.725 -5.797 -16.704 112 HB3 LYS 15 3HB LYS 15 -5.628 -6.397 -15.320 113 HG2 LYS 15 2HG LYS 15 -5.107 -3.480 -15.484 114 HG3 LYS 15 3HG LYS 15 -6.306 -4.179 -16.574 115 HD2 LYS 15 2HD LYS 15 -6.527 -5.068 -13.786 116 HD3 LYS 15 3HD LYS 15 -6.809 -3.342 -14.029 117 HE2 LYS 15 2HE LYS 15 -8.913 -4.007 -14.479 118 HE3 LYS 15 3HE LYS 15 -8.249 -4.372 -16.071 119 HZ1 LYS 15 3HZ LYS 15 -9.456 -6.133 -14.314 120 HZ2 LYS 15 1HZ LYS 15 -7.814 -6.541 -14.310 121 HZ3 LYS 15 2HZ LYS 15 -8.674 -6.510 -15.766 122 H TYR 16 H TYR 16 -3.222 -3.471 -13.494 123 HA TYR 16 HA TYR 16 -4.849 -4.232 -11.197 124 HB2 TYR 16 2HB TYR 16 -2.833 -3.463 -9.729 125 HB3 TYR 16 3HB TYR 16 -2.872 -5.109 -10.353 126 HD1 TYR 16 HD1 TYR 16 -1.330 -1.784 -10.752 127 HD2 TYR 16 HD2 TYR 16 -1.248 -5.870 -11.936 128 HE1 TYR 16 HE1 TYR 16 0.866 -1.429 -11.800 129 HE2 TYR 16 HE2 TYR 16 0.949 -5.527 -12.986 130 HH TYR 16 HH TYR 16 2.955 -3.623 -12.478 131 H LYS 17 H LYS 17 -5.011 -2.422 -9.604 132 HA LYS 17 HA LYS 17 -5.190 0.111 -11.059 133 HB2 LYS 17 2HB LYS 17 -6.675 -1.152 -8.857 134 HB3 LYS 17 3HB LYS 17 -6.375 0.567 -8.636 135 HG2 LYS 17 2HG LYS 17 -7.465 1.076 -10.720 136 HG3 LYS 17 3HG LYS 17 -7.657 -0.642 -11.077 137 HD2 LYS 17 2HD LYS 17 -8.753 0.241 -8.491 138 HD3 LYS 17 3HD LYS 17 -9.561 0.894 -9.918 139 HE2 LYS 17 2HE LYS 17 -10.501 -1.073 -10.409 140 HE3 LYS 17 3HE LYS 17 -8.996 -1.952 -10.143 141 HZ1 LYS 17 3HZ LYS 17 -9.854 -2.709 -8.265 142 HZ2 LYS 17 1HZ LYS 17 -11.252 -1.778 -8.466 143 HZ3 LYS 17 2HZ LYS 17 -9.916 -1.133 -7.653 144 H ASN 18 H ASN 18 -3.691 1.614 -10.778 145 HA ASN 18 HA ASN 18 -1.688 1.371 -8.744 146 HB2 ASN 18 2HB ASN 18 -1.011 3.684 -9.727 147 HB3 ASN 18 3HB ASN 18 -0.838 2.246 -10.730 148 HD21 ASN 18 1HD2 ASN 18 -3.354 4.613 -9.906 149 HD22 ASN 18 2HD2 ASN 18 -3.907 4.841 -11.527 150 H ASP 19 H ASP 19 -1.072 3.377 -7.446 151 HA ASP 19 HA ASP 19 -3.054 3.933 -5.576 152 HB2 ASP 19 2HB ASP 19 -0.343 4.433 -5.801 153 HB3 ASP 19 3HB ASP 19 -1.048 6.048 -5.785 154 H ALA 20 H ALA 20 -2.325 5.476 -8.594 155 HA ALA 20 HA ALA 20 -3.612 7.953 -8.120 156 HB1 ALA 20 1HB ALA 20 -3.816 7.336 -10.865 157 HB2 ALA 20 2HB ALA 20 -2.636 8.376 -10.066 158 HB3 ALA 20 3HB ALA 20 -2.288 6.663 -10.295 159 H GLY 21 H GLY 21 -4.841 4.823 -8.481 160 HA2 GLY 21 2HA GLY 21 -7.103 4.253 -8.174 161 HA3 GLY 21 3HA GLY 21 -7.555 5.888 -8.631 162 H LYS 22 H LYS 22 -5.596 5.487 -10.988 163 HA LYS 22 HA LYS 22 -7.624 4.603 -12.834 164 HB2 LYS 22 2HB LYS 22 -4.840 5.695 -13.128 165 HB3 LYS 22 3HB LYS 22 -5.692 5.018 -14.509 166 HG2 LYS 22 2HG LYS 22 -7.363 6.670 -14.422 167 HG3 LYS 22 3HG LYS 22 -6.870 7.194 -12.810 168 HD2 LYS 22 2HD LYS 22 -4.662 7.376 -14.649 169 HD3 LYS 22 3HD LYS 22 -6.059 8.255 -15.274 170 HE2 LYS 22 2HE LYS 22 -5.020 8.580 -12.467 171 HE3 LYS 22 3HE LYS 22 -4.488 9.583 -13.816 172 HZ1 LYS 22 3HZ LYS 22 -6.908 9.717 -12.295 173 HZ2 LYS 22 1HZ LYS 22 -7.205 9.673 -13.960 174 HZ3 LYS 22 2HZ LYS 22 -6.208 10.875 -13.310 175 H ASP 23 H ASP 23 -7.547 2.818 -14.189 176 HA ASP 23 HA ASP 23 -6.201 0.522 -13.117 177 HB2 ASP 23 2HB ASP 23 -8.135 1.010 -15.348 178 HB3 ASP 23 3HB ASP 23 -7.245 -0.509 -15.304 179 H THR 24 H THR 24 -4.286 -0.268 -13.683 180 HA THR 24 HA THR 24 -3.114 0.595 -16.247 181 HB THR 24 HB THR 24 -2.112 1.565 -14.042 182 HG1 THR 24 HG1 THR 24 -0.323 1.868 -15.208 183 HG21 THR 24 3HG2 THR 24 -0.821 0.242 -12.717 184 HG22 THR 24 1HG2 THR 24 -0.365 -0.827 -14.042 185 HG23 THR 24 2HG2 THR 24 -1.943 -0.998 -13.275 186 H PHE 25 H PHE 25 -1.769 -0.895 -17.319 187 HA PHE 25 HA PHE 25 -1.793 -3.641 -16.277 188 HB2 PHE 25 2HB PHE 25 -2.199 -4.378 -18.694 189 HB3 PHE 25 3HB PHE 25 -3.576 -3.714 -17.821 190 HD1 PHE 25 HD1 PHE 25 -0.981 -2.932 -20.332 191 HD2 PHE 25 HD2 PHE 25 -4.697 -1.799 -18.594 192 HE1 PHE 25 HE1 PHE 25 -1.312 -1.279 -22.125 193 HE2 PHE 25 HE2 PHE 25 -5.035 -0.146 -20.384 194 HZ PHE 25 HZ PHE 25 -3.342 0.115 -22.153 195 H ILE 26 H ILE 26 0.055 -4.765 -16.583 196 HA ILE 26 HA ILE 26 2.102 -3.598 -18.345 197 HB ILE 26 HB ILE 26 2.554 -3.063 -15.944 198 HG12 ILE 26 2HG1 ILE 26 4.774 -4.873 -16.584 199 HG13 ILE 26 3HG1 ILE 26 4.282 -3.853 -17.931 200 HG21 ILE 26 1HG2 ILE 26 1.632 -5.104 -14.966 201 HG22 ILE 26 2HG2 ILE 26 2.928 -6.045 -15.703 202 HG23 ILE 26 3HG2 ILE 26 3.303 -4.850 -14.461 203 HD11 ILE 26 3HD1 ILE 26 6.008 -2.720 -16.780 204 HD12 ILE 26 1HD1 ILE 26 4.502 -1.889 -16.391 205 HD13 ILE 26 2HD1 ILE 26 5.233 -2.985 -15.219 206 H LYS 27 H LYS 27 3.579 -5.059 -19.264 207 HA LYS 27 HA LYS 27 2.553 -7.788 -19.449 208 HB2 LYS 27 2HB LYS 27 4.240 -7.933 -21.349 209 HB3 LYS 27 3HB LYS 27 2.893 -6.826 -21.579 210 HG2 LYS 27 2HG LYS 27 5.327 -5.670 -20.385 211 HG3 LYS 27 3HG LYS 27 5.450 -6.185 -22.068 212 HD2 LYS 27 2HD LYS 27 3.494 -4.822 -22.626 213 HD3 LYS 27 3HD LYS 27 3.370 -4.309 -20.942 214 HE2 LYS 27 2HE LYS 27 4.944 -2.752 -21.210 215 HE3 LYS 27 3HE LYS 27 6.031 -3.887 -22.010 216 HZ1 LYS 27 3HZ LYS 27 4.811 -3.517 -24.077 217 HZ2 LYS 27 1HZ LYS 27 5.459 -2.073 -23.478 218 HZ3 LYS 27 2HZ LYS 27 3.809 -2.396 -23.300 219 H CYS 28 H CYS 28 3.790 -9.613 -19.048 220 HA CYS 28 HA CYS 28 6.131 -9.150 -17.339 221 HB2 CYS 28 2HB CYS 28 3.899 -10.976 -17.238 222 HB3 CYS 28 3HB CYS 28 5.416 -11.868 -17.238 223 HA PRO 29 HA PRO 29 8.923 -10.817 -20.292 224 HB2 PRO 29 2HB PRO 29 10.788 -11.906 -18.646 225 HB3 PRO 29 3HB PRO 29 10.607 -10.162 -18.872 226 HG2 PRO 29 2HG PRO 29 9.593 -11.900 -16.656 227 HG3 PRO 29 3HG PRO 29 10.353 -10.300 -16.565 228 HD2 PRO 29 2HD PRO 29 7.674 -10.652 -16.392 229 HD3 PRO 29 3HD PRO 29 8.402 -9.203 -17.114 230 H LYS 30 H LYS 30 9.888 -12.816 -21.067 231 HA LYS 30 HA LYS 30 8.154 -15.091 -20.549 232 HB2 LYS 30 2HB LYS 30 10.055 -14.301 -22.696 233 HB3 LYS 30 3HB LYS 30 9.793 -16.021 -22.444 234 HG2 LYS 30 2HG LYS 30 7.240 -15.032 -22.462 235 HG3 LYS 30 3HG LYS 30 8.058 -14.017 -23.652 236 HD2 LYS 30 2HD LYS 30 8.458 -15.765 -25.069 237 HD3 LYS 30 3HD LYS 30 8.542 -16.947 -23.761 238 HE2 LYS 30 2HE LYS 30 5.970 -16.269 -23.545 239 HE3 LYS 30 3HE LYS 30 6.199 -15.920 -25.258 240 HZ1 LYS 30 3HZ LYS 30 5.441 -18.224 -24.737 241 HZ2 LYS 30 1HZ LYS 30 6.944 -18.506 -24.013 242 HZ3 LYS 30 2HZ LYS 30 6.854 -18.144 -25.663 243 H PHE 31 H PHE 31 10.637 -13.998 -18.922 244 HA PHE 31 HA PHE 31 12.375 -16.284 -18.839 245 HB2 PHE 31 2HB PHE 31 12.144 -13.820 -17.108 246 HB3 PHE 31 3HB PHE 31 13.335 -15.085 -16.823 247 HD1 PHE 31 HD1 PHE 31 14.434 -15.782 -19.309 248 HD2 PHE 31 HD2 PHE 31 13.099 -11.953 -18.018 249 HE1 PHE 31 HE1 PHE 31 15.958 -14.712 -20.917 250 HE2 PHE 31 HE2 PHE 31 14.620 -10.877 -19.624 251 HZ PHE 31 HZ PHE 31 16.052 -12.257 -21.077 252 H ASP 32 H ASP 32 12.683 -17.673 -17.024 253 HA ASP 32 HA ASP 32 10.286 -18.706 -15.956 254 HB2 ASP 32 2HB ASP 32 13.167 -19.301 -15.730 255 HB3 ASP 32 3HB ASP 32 12.195 -19.787 -14.343 256 H ASN 33 H ASN 33 12.276 -16.131 -14.963 257 HA ASN 33 HA ASN 33 11.838 -16.233 -12.164 258 HB2 ASN 33 2HB ASN 33 13.299 -14.624 -13.932 259 HB3 ASN 33 3HB ASN 33 12.150 -13.532 -13.165 260 HD21 ASN 33 1HD2 ASN 33 11.922 -14.458 -10.667 261 HD22 ASN 33 2HD2 ASN 33 13.442 -14.401 -9.847 262 H LYS 34 H LYS 34 10.016 -14.937 -14.852 263 HA LYS 34 HA LYS 34 7.693 -14.633 -13.164 264 HB2 LYS 34 2HB LYS 34 9.243 -12.313 -14.150 265 HB3 LYS 34 3HB LYS 34 7.501 -12.219 -14.371 266 HG2 LYS 34 2HG LYS 34 7.148 -11.812 -12.213 267 HG3 LYS 34 3HG LYS 34 8.233 -13.109 -11.706 268 HD2 LYS 34 2HD LYS 34 9.135 -10.388 -12.646 269 HD3 LYS 34 3HD LYS 34 8.958 -10.855 -10.954 270 HE2 LYS 34 2HE LYS 34 10.578 -12.710 -11.384 271 HE3 LYS 34 3HE LYS 34 10.840 -12.035 -12.991 272 HZ1 LYS 34 3HZ LYS 34 11.108 -10.038 -10.990 273 HZ2 LYS 34 1HZ LYS 34 12.222 -10.533 -12.163 274 HZ3 LYS 34 2HZ LYS 34 12.147 -11.336 -10.676 275 H LYS 35 H LYS 35 6.007 -15.367 -14.266 276 HA LYS 35 HA LYS 35 5.480 -14.653 -16.974 277 HB2 LYS 35 2HB LYS 35 6.832 -17.215 -16.399 278 HB3 LYS 35 3HB LYS 35 5.432 -17.324 -17.460 279 HG2 LYS 35 2HG LYS 35 6.574 -15.370 -18.734 280 HG3 LYS 35 3HG LYS 35 8.026 -15.910 -17.887 281 HD2 LYS 35 2HD LYS 35 6.269 -17.593 -19.675 282 HD3 LYS 35 3HD LYS 35 7.867 -16.961 -20.077 283 HE2 LYS 35 2HE LYS 35 8.555 -18.234 -17.879 284 HE3 LYS 35 3HE LYS 35 7.099 -19.167 -18.226 285 HZ1 LYS 35 3HZ LYS 35 8.040 -19.515 -20.502 286 HZ2 LYS 35 1HZ LYS 35 8.898 -20.272 -19.255 287 HZ3 LYS 35 2HZ LYS 35 9.491 -18.847 -19.947 288 H CYS 36 H CYS 36 3.510 -15.828 -17.811 289 HA CYS 36 HA CYS 36 1.648 -16.205 -15.581 290 HB2 CYS 36 2HB CYS 36 1.287 -15.458 -18.473 291 HB3 CYS 36 3HB CYS 36 -0.072 -16.005 -17.497 292 H THR 37 H THR 37 1.077 -18.190 -15.027 293 HA THR 37 HA THR 37 1.670 -20.432 -16.760 294 HB THR 37 HB THR 37 0.678 -21.761 -14.806 295 HG1 THR 37 HG1 THR 37 1.085 -19.400 -13.313 296 HG21 THR 37 3HG2 THR 37 3.089 -21.509 -15.182 297 HG22 THR 37 1HG2 THR 37 2.705 -21.506 -13.461 298 HG23 THR 37 2HG2 THR 37 3.070 -19.990 -14.286 299 H LYS 38 H LYS 38 -1.133 -18.665 -15.639 300 HA LYS 38 HA LYS 38 -2.767 -20.008 -17.630 301 HB2 LYS 38 2HB LYS 38 -2.864 -21.099 -15.190 302 HB3 LYS 38 3HB LYS 38 -4.025 -19.801 -14.943 303 HG2 LYS 38 2HG LYS 38 -5.552 -20.703 -16.369 304 HG3 LYS 38 3HG LYS 38 -4.324 -21.481 -17.370 305 HD2 LYS 38 2HD LYS 38 -3.983 -23.194 -15.722 306 HD3 LYS 38 3HD LYS 38 -5.036 -22.363 -14.575 307 HE2 LYS 38 2HE LYS 38 -6.819 -22.608 -16.456 308 HE3 LYS 38 3HE LYS 38 -5.748 -23.872 -17.057 309 HZ1 LYS 38 3HZ LYS 38 -7.580 -24.577 -15.487 310 HZ2 LYS 38 1HZ LYS 38 -6.699 -23.823 -14.256 311 HZ3 LYS 38 2HZ LYS 38 -6.022 -25.117 -15.110 312 H ASP 39 H ASP 39 -4.971 -18.968 -17.766 313 HA ASP 39 HA ASP 39 -4.621 -16.095 -17.690 314 HB2 ASP 39 2HB ASP 39 -6.455 -15.958 -19.139 315 HB3 ASP 39 3HB ASP 39 -5.681 -17.471 -19.602 316 H ASN 40 H ASN 40 -6.216 -14.649 -16.784 317 HA ASN 40 HA ASN 40 -7.549 -13.859 -15.117 318 HB2 ASN 40 2HB ASN 40 -8.933 -15.940 -16.012 319 HB3 ASN 40 3HB ASN 40 -8.543 -16.586 -14.421 320 HD21 ASN 40 1HD2 ASN 40 -9.261 -15.445 -12.566 321 HD22 ASN 40 2HD2 ASN 40 -10.631 -14.396 -12.654 322 H ASN 41 H ASN 41 -4.886 -15.444 -14.686 323 HA ASN 41 HA ASN 41 -4.962 -16.389 -12.016 324 HB2 ASN 41 2HB ASN 41 -3.054 -16.239 -14.108 325 HB3 ASN 41 3HB ASN 41 -2.340 -15.455 -12.701 326 HD21 ASN 41 1HD2 ASN 41 -1.622 -17.957 -13.988 327 HD22 ASN 41 2HD2 ASN 41 -1.752 -19.180 -12.773 328 H LYS 42 H LYS 42 -2.932 -15.228 -10.652 329 HA LYS 42 HA LYS 42 -3.726 -12.407 -10.366 330 HB2 LYS 42 2HB LYS 42 -4.269 -14.462 -8.542 331 HB3 LYS 42 3HB LYS 42 -2.907 -13.588 -7.853 332 HG2 LYS 42 2HG LYS 42 -4.864 -12.601 -6.978 333 HG3 LYS 42 3HG LYS 42 -4.228 -11.477 -8.181 334 HD2 LYS 42 2HD LYS 42 -6.619 -11.646 -8.442 335 HD3 LYS 42 3HD LYS 42 -5.832 -12.403 -9.829 336 HE2 LYS 42 2HE LYS 42 -6.719 -14.399 -9.364 337 HE3 LYS 42 3HE LYS 42 -6.302 -14.275 -7.655 338 HZ1 LYS 42 3HZ LYS 42 -8.804 -13.759 -8.969 339 HZ2 LYS 42 1HZ LYS 42 -8.339 -12.512 -7.924 340 HZ3 LYS 42 2HZ LYS 42 -8.487 -14.093 -7.341 341 H CYS 43 H CYS 43 -2.125 -10.979 -9.633 342 HA CYS 43 HA CYS 43 0.598 -12.056 -9.426 343 HB2 CYS 43 2HB CYS 43 1.465 -10.313 -10.892 344 HB3 CYS 43 3HB CYS 43 0.262 -11.276 -11.744 345 H THR 44 H THR 44 2.125 -10.087 -8.852 346 HA THR 44 HA THR 44 0.777 -8.387 -6.865 347 HB THR 44 HB THR 44 3.362 -8.954 -5.869 348 HG1 THR 44 HG1 THR 44 1.887 -11.307 -6.524 349 HG21 THR 44 3HG2 THR 44 1.961 -8.615 -4.144 350 HG22 THR 44 1HG2 THR 44 1.639 -10.345 -4.260 351 HG23 THR 44 2HG2 THR 44 0.561 -9.192 -5.047 352 H VAL 45 H VAL 45 1.541 -6.329 -6.678 353 HA VAL 45 HA VAL 45 4.043 -5.586 -7.968 354 HB VAL 45 HB VAL 45 1.377 -4.450 -8.812 355 HG11 VAL 45 1HG1 VAL 45 3.240 -3.217 -10.375 356 HG12 VAL 45 2HG1 VAL 45 2.471 -2.497 -8.959 357 HG13 VAL 45 3HG1 VAL 45 4.054 -3.263 -8.812 358 HG21 VAL 45 3HG2 VAL 45 1.671 -6.231 -10.209 359 HG22 VAL 45 1HG2 VAL 45 2.597 -5.019 -11.095 360 HG23 VAL 45 2HG2 VAL 45 3.429 -6.191 -10.072 361 H ASP 46 H ASP 46 5.080 -4.095 -6.809 362 HA ASP 46 HA ASP 46 3.515 -2.464 -4.917 363 HB2 ASP 46 2HB ASP 46 5.080 -4.370 -4.022 364 HB3 ASP 46 3HB ASP 46 6.362 -3.210 -4.358 365 H THR 47 H THR 47 3.829 -0.322 -4.973 366 HA THR 47 HA THR 47 5.587 0.754 -7.008 367 HB THR 47 HB THR 47 4.352 2.797 -5.400 368 HG1 THR 47 HG1 THR 47 2.777 1.319 -4.833 369 HG21 THR 47 3HG2 THR 47 5.019 3.083 -7.723 370 HG22 THR 47 1HG2 THR 47 3.288 3.366 -7.549 371 HG23 THR 47 2HG2 THR 47 3.869 1.844 -8.226 372 H TYR 48 H TYR 48 5.689 0.194 -3.643 373 HA TYR 48 HA TYR 48 7.587 2.293 -3.054 374 HB2 TYR 48 2HB TYR 48 5.863 0.658 -1.541 375 HB3 TYR 48 3HB TYR 48 7.496 0.232 -1.043 376 HD1 TYR 48 HD1 TYR 48 5.199 3.121 -1.478 377 HD2 TYR 48 HD2 TYR 48 8.692 1.612 0.427 378 HE1 TYR 48 HE1 TYR 48 5.279 5.124 -0.052 379 HE2 TYR 48 HE2 TYR 48 8.781 3.610 1.859 380 HH TYR 48 HH TYR 48 6.760 6.365 1.297 381 H ASN 49 H ASN 49 7.631 -1.210 -3.523 382 HA ASN 49 HA ASN 49 10.562 -1.180 -3.351 383 HB2 ASN 49 2HB ASN 49 8.475 -3.258 -2.912 384 HB3 ASN 49 3HB ASN 49 10.030 -3.793 -3.545 385 HD21 ASN 49 1HD2 ASN 49 9.193 -4.682 -1.131 386 HD22 ASN 49 2HD2 ASN 49 10.144 -3.979 0.128 387 H ASN 50 H ASN 50 8.159 -0.955 -5.610 388 HA ASN 50 HA ASN 50 8.019 -1.266 -7.863 389 HB2 ASN 50 2HB ASN 50 11.010 -1.002 -7.520 390 HB3 ASN 50 3HB ASN 50 10.218 -1.042 -9.093 391 HD21 ASN 50 1HD2 ASN 50 9.281 0.759 -9.866 392 HD22 ASN 50 2HD2 ASN 50 9.227 2.269 -9.028 393 H ALA 51 H ALA 51 8.229 -3.650 -6.140 394 HA ALA 51 HA ALA 51 9.564 -5.566 -7.909 395 HB1 ALA 51 1HB ALA 51 8.602 -5.682 -5.080 396 HB2 ALA 51 2HB ALA 51 8.879 -7.168 -5.990 397 HB3 ALA 51 3HB ALA 51 10.202 -6.031 -5.734 398 H VAL 52 H VAL 52 8.441 -6.675 -9.360 399 HA VAL 52 HA VAL 52 5.543 -7.019 -8.935 400 HB VAL 52 HB VAL 52 5.700 -5.529 -10.749 401 HG11 VAL 52 1HG1 VAL 52 7.173 -6.211 -12.770 402 HG12 VAL 52 2HG1 VAL 52 7.934 -5.465 -11.363 403 HG13 VAL 52 3HG1 VAL 52 8.025 -7.212 -11.594 404 HG21 VAL 52 3HG2 VAL 52 5.614 -8.058 -12.321 405 HG22 VAL 52 1HG2 VAL 52 4.420 -7.806 -11.047 406 HG23 VAL 52 2HG2 VAL 52 4.545 -6.657 -12.379 407 H ASP 53 H ASP 53 4.693 -9.018 -9.221 408 HA ASP 53 HA ASP 53 6.379 -11.122 -10.364 409 HB2 ASP 53 2HB ASP 53 6.231 -10.854 -7.663 410 HB3 ASP 53 3HB ASP 53 4.867 -11.928 -7.960 411 H CYS 54 H CYS 54 5.270 -12.178 -11.859 412 HA CYS 54 HA CYS 54 2.339 -12.105 -11.765 413 HB2 CYS 54 2HB CYS 54 4.109 -12.915 -14.078 414 HB3 CYS 54 3HB CYS 54 2.381 -12.584 -14.129 415 H ASP 55 H ASP 55 1.108 -13.926 -11.717 416 HA ASP 55 HA ASP 55 2.036 -16.229 -10.514 417 HB2 ASP 55 2HB ASP 55 -0.432 -15.319 -11.649 418 HB3 ASP 55 3HB ASP 55 -0.158 -16.988 -12.143 Start of MODEL 9 1 H1 ALA 1 H ALA 1 0.254 -0.052 0.058 2 HA ALA 1 HA ALA 1 1.920 0.958 -2.127 3 HB1 ALA 1 1HB ALA 1 3.755 0.478 -0.867 4 HB2 ALA 1 2HB ALA 1 2.578 0.711 0.426 5 HB3 ALA 1 3HB ALA 1 3.001 -0.919 -0.098 6 H LYS 2 H LYS 2 0.306 -1.913 -1.015 7 HA LYS 2 HA LYS 2 1.629 -3.561 -3.036 8 HB2 LYS 2 2HB LYS 2 0.413 -5.438 -1.976 9 HB3 LYS 2 3HB LYS 2 1.423 -4.557 -0.838 10 HG2 LYS 2 2HG LYS 2 -1.042 -3.298 -0.679 11 HG3 LYS 2 3HG LYS 2 -1.428 -5.016 -0.808 12 HD2 LYS 2 2HD LYS 2 -1.197 -4.563 1.503 13 HD3 LYS 2 3HD LYS 2 0.277 -5.404 1.019 14 HE2 LYS 2 2HE LYS 2 1.271 -3.710 2.133 15 HE3 LYS 2 3HE LYS 2 1.041 -2.860 0.606 16 HZ1 LYS 2 3HZ LYS 2 0.251 -1.836 2.872 17 HZ2 LYS 2 1HZ LYS 2 -1.127 -2.771 2.571 18 HZ3 LYS 2 2HZ LYS 2 -0.637 -1.602 1.451 19 H TYR 3 H TYR 3 0.763 -3.802 -4.979 20 HA TYR 3 HA TYR 3 -2.118 -3.288 -5.308 21 HB2 TYR 3 2HB TYR 3 0.177 -2.965 -7.245 22 HB3 TYR 3 3HB TYR 3 -1.514 -2.861 -7.722 23 HD1 TYR 3 HD1 TYR 3 -2.925 -1.196 -6.126 24 HD2 TYR 3 HD2 TYR 3 1.259 -0.971 -6.867 25 HE1 TYR 3 HE1 TYR 3 -2.952 1.189 -5.523 26 HE2 TYR 3 HE2 TYR 3 1.243 1.414 -6.266 27 HH TYR 3 HH TYR 3 -0.089 2.985 -5.000 28 H THR 4 H THR 4 -3.403 -4.841 -6.101 29 HA THR 4 HA THR 4 -2.137 -7.381 -6.878 30 HB THR 4 HB THR 4 -4.986 -7.586 -6.426 31 HG1 THR 4 HG1 THR 4 -4.912 -6.019 -4.908 32 HG21 THR 4 3HG2 THR 4 -2.918 -9.257 -6.295 33 HG22 THR 4 1HG2 THR 4 -4.394 -9.521 -5.367 34 HG23 THR 4 2HG2 THR 4 -2.984 -8.795 -4.595 35 H GLY 5 H GLY 5 -2.255 -8.004 -8.932 36 HA2 GLY 5 2HA GLY 5 -4.513 -7.054 -10.568 37 HA3 GLY 5 3HA GLY 5 -2.867 -6.868 -11.153 38 H LYS 6 H LYS 6 -4.823 -8.270 -12.564 39 HA LYS 6 HA LYS 6 -3.911 -11.058 -12.279 40 HB2 LYS 6 2HB LYS 6 -6.470 -10.087 -13.562 41 HB3 LYS 6 3HB LYS 6 -5.997 -11.761 -13.306 42 HG2 LYS 6 2HG LYS 6 -7.066 -11.711 -11.371 43 HG3 LYS 6 3HG LYS 6 -5.878 -10.543 -10.787 44 HD2 LYS 6 2HD LYS 6 -7.740 -9.283 -10.477 45 HD3 LYS 6 3HD LYS 6 -7.458 -8.888 -12.174 46 HE2 LYS 6 2HE LYS 6 -9.077 -10.489 -12.889 47 HE3 LYS 6 3HE LYS 6 -9.227 -11.149 -11.261 48 HZ1 LYS 6 3HZ LYS 6 -10.252 -9.145 -10.519 49 HZ2 LYS 6 1HZ LYS 6 -11.063 -9.647 -11.917 50 HZ3 LYS 6 2HZ LYS 6 -9.959 -8.369 -11.993 51 H CYS 7 H CYS 7 -3.121 -12.124 -14.046 52 HA CYS 7 HA CYS 7 -2.918 -10.577 -16.546 53 HB2 CYS 7 2HB CYS 7 -0.670 -11.146 -16.820 54 HB3 CYS 7 3HB CYS 7 -0.784 -10.816 -15.094 55 H THR 8 H THR 8 -2.416 -11.975 -18.460 56 HA THR 8 HA THR 8 -3.854 -14.539 -18.233 57 HB THR 8 HB THR 8 -3.729 -13.598 -20.948 58 HG1 THR 8 HG1 THR 8 -5.141 -11.741 -20.553 59 HG21 THR 8 3HG2 THR 8 -6.346 -13.502 -20.254 60 HG22 THR 8 1HG2 THR 8 -5.710 -14.550 -18.987 61 HG23 THR 8 2HG2 THR 8 -5.493 -14.985 -20.682 62 H LYS 9 H LYS 9 -3.126 -16.299 -19.498 63 HA LYS 9 HA LYS 9 -0.272 -16.418 -19.770 64 HB2 LYS 9 2HB LYS 9 -0.559 -18.734 -20.200 65 HB3 LYS 9 3HB LYS 9 -1.761 -18.311 -18.987 66 HG2 LYS 9 2HG LYS 9 -3.503 -18.291 -20.636 67 HG3 LYS 9 3HG LYS 9 -2.330 -18.524 -21.935 68 HD2 LYS 9 2HD LYS 9 -2.813 -20.484 -19.694 69 HD3 LYS 9 3HD LYS 9 -3.542 -20.599 -21.297 70 HE2 LYS 9 2HE LYS 9 -0.598 -20.676 -20.645 71 HE3 LYS 9 3HE LYS 9 -1.595 -22.036 -21.159 72 HZ1 LYS 9 3HZ LYS 9 -0.663 -19.728 -22.738 73 HZ2 LYS 9 1HZ LYS 9 -2.044 -20.582 -23.212 74 HZ3 LYS 9 2HZ LYS 9 -0.556 -21.377 -23.098 75 H SER 10 H SER 10 -2.942 -15.816 -21.872 76 HA SER 10 HA SER 10 -1.493 -16.424 -24.297 77 HB2 SER 10 2HB SER 10 -3.533 -15.370 -25.389 78 HB3 SER 10 3HB SER 10 -3.847 -16.795 -24.398 79 HG SER 10 HG SER 10 -4.662 -14.200 -24.053 80 H LYS 11 H LYS 11 -2.655 -13.501 -22.648 81 HA LYS 11 HA LYS 11 -1.239 -11.796 -24.525 82 HB2 LYS 11 2HB LYS 11 -3.545 -11.330 -23.437 83 HB3 LYS 11 3HB LYS 11 -2.612 -10.846 -22.027 84 HG2 LYS 11 2HG LYS 11 -1.350 -9.308 -23.665 85 HG3 LYS 11 3HG LYS 11 -2.729 -9.580 -24.733 86 HD2 LYS 11 2HD LYS 11 -3.805 -8.997 -22.207 87 HD3 LYS 11 3HD LYS 11 -2.500 -7.836 -22.459 88 HE2 LYS 11 2HE LYS 11 -4.204 -6.715 -23.480 89 HE3 LYS 11 3HE LYS 11 -3.614 -7.653 -24.851 90 HZ1 LYS 11 3HZ LYS 11 -5.349 -9.370 -23.983 91 HZ2 LYS 11 1HZ LYS 11 -5.844 -8.072 -24.948 92 HZ3 LYS 11 2HZ LYS 11 -6.061 -8.010 -23.272 93 H ASN 12 H ASN 12 -0.624 -13.353 -21.572 94 HA ASN 12 HA ASN 12 1.008 -13.174 -19.985 95 HB2 ASN 12 2HB ASN 12 2.165 -13.227 -22.531 96 HB3 ASN 12 3HB ASN 12 3.032 -11.958 -21.670 97 HD21 ASN 12 1HD2 ASN 12 4.713 -12.588 -20.540 98 HD22 ASN 12 2HD2 ASN 12 4.983 -14.174 -19.911 99 H GLU 13 H GLU 13 -0.735 -10.894 -20.193 100 HA GLU 13 HA GLU 13 1.086 -8.824 -19.163 101 HB2 GLU 13 2HB GLU 13 0.239 -8.183 -21.389 102 HB3 GLU 13 3HB GLU 13 -1.410 -8.351 -20.803 103 HG2 GLU 13 2HG GLU 13 -0.634 -6.617 -19.010 104 HG3 GLU 13 3HG GLU 13 0.610 -6.249 -20.203 105 H CYS 14 H CYS 14 0.541 -7.923 -17.254 106 HA CYS 14 HA CYS 14 -1.830 -8.991 -15.914 107 HB2 CYS 14 2HB CYS 14 0.611 -8.972 -14.962 108 HB3 CYS 14 3HB CYS 14 0.237 -7.301 -14.551 109 H LYS 15 H LYS 15 -3.038 -7.509 -14.460 110 HA LYS 15 HA LYS 15 -3.038 -4.709 -15.275 111 HB2 LYS 15 2HB LYS 15 -5.400 -4.678 -15.789 112 HB3 LYS 15 3HB LYS 15 -4.604 -5.870 -16.808 113 HG2 LYS 15 2HG LYS 15 -6.317 -7.174 -16.186 114 HG3 LYS 15 3HG LYS 15 -5.349 -7.424 -14.731 115 HD2 LYS 15 2HD LYS 15 -7.252 -6.779 -13.696 116 HD3 LYS 15 3HD LYS 15 -6.638 -5.162 -14.049 117 HE2 LYS 15 2HE LYS 15 -8.569 -4.800 -15.103 118 HE3 LYS 15 3HE LYS 15 -7.968 -5.878 -16.363 119 HZ1 LYS 15 3HZ LYS 15 -10.230 -6.397 -15.394 120 HZ2 LYS 15 1HZ LYS 15 -9.420 -6.894 -13.995 121 HZ3 LYS 15 2HZ LYS 15 -9.131 -7.680 -15.464 122 H TYR 16 H TYR 16 -3.193 -3.469 -13.532 123 HA TYR 16 HA TYR 16 -4.793 -4.382 -11.254 124 HB2 TYR 16 2HB TYR 16 -3.074 -3.891 -9.661 125 HB3 TYR 16 3HB TYR 16 -2.373 -4.954 -10.876 126 HD1 TYR 16 HD1 TYR 16 -2.403 -1.550 -9.512 127 HD2 TYR 16 HD2 TYR 16 -0.660 -4.154 -12.390 128 HE1 TYR 16 HE1 TYR 16 -0.597 0.078 -9.883 129 HE2 TYR 16 HE2 TYR 16 1.151 -2.534 -12.769 130 HH TYR 16 HH TYR 16 1.688 -0.272 -12.473 131 H LYS 17 H LYS 17 -5.188 -2.609 -9.673 132 HA LYS 17 HA LYS 17 -5.663 -0.114 -11.126 133 HB2 LYS 17 2HB LYS 17 -6.939 -1.487 -8.823 134 HB3 LYS 17 3HB LYS 17 -6.964 0.272 -8.811 135 HG2 LYS 17 2HG LYS 17 -8.184 0.365 -10.830 136 HG3 LYS 17 3HG LYS 17 -7.908 -1.347 -11.159 137 HD2 LYS 17 2HD LYS 17 -9.195 -0.897 -8.590 138 HD3 LYS 17 3HD LYS 17 -10.134 -0.254 -9.940 139 HE2 LYS 17 2HE LYS 17 -10.689 -2.297 -10.653 140 HE3 LYS 17 3HE LYS 17 -9.036 -2.890 -10.492 141 HZ1 LYS 17 3HZ LYS 17 -10.667 -2.490 -8.079 142 HZ2 LYS 17 1HZ LYS 17 -9.393 -3.571 -8.346 143 HZ3 LYS 17 2HZ LYS 17 -10.913 -3.872 -9.023 144 H ASN 18 H ASN 18 -4.402 1.590 -10.811 145 HA ASN 18 HA ASN 18 -2.379 1.579 -8.775 146 HB2 ASN 18 2HB ASN 18 -1.816 3.840 -9.734 147 HB3 ASN 18 3HB ASN 18 -1.788 2.519 -10.898 148 HD21 ASN 18 1HD2 ASN 18 -1.952 4.355 -12.402 149 HD22 ASN 18 2HD2 ASN 18 -3.526 4.938 -12.808 150 H ASP 19 H ASP 19 -2.066 3.948 -7.735 151 HA ASP 19 HA ASP 19 -4.014 4.142 -5.721 152 HB2 ASP 19 2HB ASP 19 -1.473 5.089 -6.042 153 HB3 ASP 19 3HB ASP 19 -2.416 6.568 -6.204 154 H ALA 20 H ALA 20 -3.812 5.556 -8.859 155 HA ALA 20 HA ALA 20 -5.559 7.764 -8.382 156 HB1 ALA 20 1HB ALA 20 -5.505 6.808 -11.127 157 HB2 ALA 20 2HB ALA 20 -5.007 8.363 -10.459 158 HB3 ALA 20 3HB ALA 20 -3.892 6.997 -10.439 159 H GLY 21 H GLY 21 -6.055 4.424 -8.716 160 HA2 GLY 21 2HA GLY 21 -8.116 3.350 -8.366 161 HA3 GLY 21 3HA GLY 21 -8.941 4.847 -8.779 162 H LYS 22 H LYS 22 -6.999 4.910 -11.194 163 HA LYS 22 HA LYS 22 -8.845 3.733 -13.033 164 HB2 LYS 22 2HB LYS 22 -6.319 5.294 -13.228 165 HB3 LYS 22 3HB LYS 22 -6.783 4.328 -14.623 166 HG2 LYS 22 2HG LYS 22 -9.105 5.524 -14.231 167 HG3 LYS 22 3HG LYS 22 -8.075 6.732 -13.460 168 HD2 LYS 22 2HD LYS 22 -7.534 5.654 -16.217 169 HD3 LYS 22 3HD LYS 22 -8.555 7.065 -15.929 170 HE2 LYS 22 2HE LYS 22 -5.860 7.000 -14.675 171 HE3 LYS 22 3HE LYS 22 -5.961 7.287 -16.412 172 HZ1 LYS 22 3HZ LYS 22 -7.329 9.185 -16.042 173 HZ2 LYS 22 1HZ LYS 22 -5.973 9.334 -15.040 174 HZ3 LYS 22 2HZ LYS 22 -7.458 8.857 -14.387 175 H ASP 23 H ASP 23 -8.266 2.155 -14.680 176 HA ASP 23 HA ASP 23 -6.850 -0.081 -13.512 177 HB2 ASP 23 2HB ASP 23 -8.323 0.192 -16.141 178 HB3 ASP 23 3HB ASP 23 -7.645 -1.310 -15.519 179 H THR 24 H THR 24 -4.840 -0.707 -13.969 180 HA THR 24 HA THR 24 -3.507 0.489 -16.311 181 HB THR 24 HB THR 24 -2.176 -0.162 -13.676 182 HG1 THR 24 HG1 THR 24 -2.795 1.758 -13.065 183 HG21 THR 24 3HG2 THR 24 -1.229 0.725 -16.326 184 HG22 THR 24 1HG2 THR 24 -0.387 -0.172 -15.063 185 HG23 THR 24 2HG2 THR 24 -0.547 1.580 -14.942 186 H PHE 25 H PHE 25 -2.746 -0.933 -17.727 187 HA PHE 25 HA PHE 25 -2.348 -3.712 -16.840 188 HB2 PHE 25 2HB PHE 25 -2.629 -4.217 -19.339 189 HB3 PHE 25 3HB PHE 25 -4.070 -3.739 -18.448 190 HD1 PHE 25 HD1 PHE 25 -1.601 -2.715 -20.950 191 HD2 PHE 25 HD2 PHE 25 -5.158 -1.639 -18.874 192 HE1 PHE 25 HE1 PHE 25 -1.994 -0.904 -22.568 193 HE2 PHE 25 HE2 PHE 25 -5.557 0.173 -20.490 194 HZ PHE 25 HZ PHE 25 -3.974 0.542 -22.341 195 H ILE 26 H ILE 26 -0.356 -4.514 -16.902 196 HA ILE 26 HA ILE 26 1.621 -3.260 -18.685 197 HB ILE 26 HB ILE 26 1.887 -2.541 -16.277 198 HG12 ILE 26 2HG1 ILE 26 4.384 -3.973 -16.773 199 HG13 ILE 26 3HG1 ILE 26 3.764 -3.171 -18.212 200 HG21 ILE 26 1HG2 ILE 26 2.850 -4.123 -14.708 201 HG22 ILE 26 2HG2 ILE 26 1.274 -4.688 -15.259 202 HG23 ILE 26 3HG2 ILE 26 2.746 -5.408 -15.911 203 HD11 ILE 26 3HD1 ILE 26 4.598 -1.264 -17.482 204 HD12 ILE 26 1HD1 ILE 26 3.544 -1.346 -16.071 205 HD13 ILE 26 2HD1 ILE 26 5.158 -2.055 -16.009 206 H LYS 27 H LYS 27 3.031 -4.620 -19.691 207 HA LYS 27 HA LYS 27 2.327 -7.342 -19.944 208 HB2 LYS 27 2HB LYS 27 4.708 -7.381 -21.081 209 HB3 LYS 27 3HB LYS 27 3.348 -6.576 -21.852 210 HG2 LYS 27 2HG LYS 27 5.447 -5.270 -21.912 211 HG3 LYS 27 3HG LYS 27 4.116 -4.432 -21.110 212 HD2 LYS 27 2HD LYS 27 5.028 -4.831 -18.967 213 HD3 LYS 27 3HD LYS 27 6.169 -6.024 -19.592 214 HE2 LYS 27 2HE LYS 27 6.926 -3.906 -21.038 215 HE3 LYS 27 3HE LYS 27 6.295 -3.066 -19.623 216 HZ1 LYS 27 3HZ LYS 27 8.502 -3.421 -19.094 217 HZ2 LYS 27 1HZ LYS 27 8.546 -4.961 -19.793 218 HZ3 LYS 27 2HZ LYS 27 7.741 -4.722 -18.325 219 H CYS 28 H CYS 28 3.480 -9.219 -19.349 220 HA CYS 28 HA CYS 28 5.011 -8.894 -16.870 221 HB2 CYS 28 2HB CYS 28 3.262 -11.030 -17.984 222 HB3 CYS 28 3HB CYS 28 4.591 -11.531 -16.943 223 HA PRO 29 HA PRO 29 8.811 -10.242 -18.599 224 HB2 PRO 29 2HB PRO 29 9.830 -11.783 -16.611 225 HB3 PRO 29 3HB PRO 29 9.727 -10.022 -16.504 226 HG2 PRO 29 2HG PRO 29 7.908 -12.100 -15.348 227 HG3 PRO 29 3HG PRO 29 8.527 -10.614 -14.602 228 HD2 PRO 29 2HD PRO 29 6.032 -10.794 -15.638 229 HD3 PRO 29 3HD PRO 29 6.967 -9.285 -15.657 230 H LYS 30 H LYS 30 9.558 -11.814 -19.916 231 HA LYS 30 HA LYS 30 8.019 -14.275 -20.096 232 HB2 LYS 30 2HB LYS 30 9.883 -12.788 -21.876 233 HB3 LYS 30 3HB LYS 30 9.765 -14.528 -22.102 234 HG2 LYS 30 2HG LYS 30 7.187 -14.029 -22.098 235 HG3 LYS 30 3HG LYS 30 7.727 -12.411 -22.554 236 HD2 LYS 30 2HD LYS 30 8.631 -13.135 -24.555 237 HD3 LYS 30 3HD LYS 30 8.815 -14.797 -23.989 238 HE2 LYS 30 2HE LYS 30 6.044 -14.001 -23.964 239 HE3 LYS 30 3HE LYS 30 6.751 -13.756 -25.560 240 HZ1 LYS 30 3HZ LYS 30 6.505 -16.263 -24.022 241 HZ2 LYS 30 1HZ LYS 30 7.645 -16.114 -25.264 242 HZ3 LYS 30 2HZ LYS 30 5.997 -15.935 -25.602 243 H PHE 31 H PHE 31 10.300 -13.506 -18.089 244 HA PHE 31 HA PHE 31 12.312 -15.487 -18.549 245 HB2 PHE 31 2HB PHE 31 11.650 -13.598 -16.328 246 HB3 PHE 31 3HB PHE 31 12.751 -14.934 -16.008 247 HD1 PHE 31 HD1 PHE 31 14.928 -15.036 -17.073 248 HD2 PHE 31 HD2 PHE 31 12.281 -11.777 -17.769 249 HE1 PHE 31 HE1 PHE 31 16.786 -13.735 -18.026 250 HE2 PHE 31 HE2 PHE 31 14.134 -10.471 -18.724 251 HZ PHE 31 HZ PHE 31 16.390 -11.450 -18.854 252 H ASP 32 H ASP 32 12.688 -17.388 -17.339 253 HA ASP 32 HA ASP 32 10.349 -18.913 -16.812 254 HB2 ASP 32 2HB ASP 32 13.296 -19.405 -16.530 255 HB3 ASP 32 3HB ASP 32 12.143 -20.552 -15.852 256 H ASN 33 H ASN 33 12.206 -16.786 -14.913 257 HA ASN 33 HA ASN 33 11.829 -17.957 -12.361 258 HB2 ASN 33 2HB ASN 33 12.421 -15.134 -13.248 259 HB3 ASN 33 3HB ASN 33 12.280 -15.582 -11.551 260 HD21 ASN 33 1HD2 ASN 33 14.289 -15.463 -14.268 261 HD22 ASN 33 2HD2 ASN 33 15.653 -16.285 -13.598 262 H LYS 34 H LYS 34 9.911 -15.780 -14.334 263 HA LYS 34 HA LYS 34 7.563 -16.359 -12.779 264 HB2 LYS 34 2HB LYS 34 7.044 -14.136 -12.068 265 HB3 LYS 34 3HB LYS 34 8.671 -14.499 -11.507 266 HG2 LYS 34 2HG LYS 34 9.169 -13.348 -13.924 267 HG3 LYS 34 3HG LYS 34 7.736 -12.466 -13.389 268 HD2 LYS 34 2HD LYS 34 9.465 -11.212 -12.489 269 HD3 LYS 34 3HD LYS 34 9.011 -12.256 -11.140 270 HE2 LYS 34 2HE LYS 34 10.879 -13.642 -11.443 271 HE3 LYS 34 3HE LYS 34 11.183 -13.023 -13.066 272 HZ1 LYS 34 3HZ LYS 34 12.698 -12.215 -11.227 273 HZ2 LYS 34 1HZ LYS 34 11.388 -11.300 -10.670 274 HZ3 LYS 34 2HZ LYS 34 12.015 -11.025 -12.217 275 H LYS 35 H LYS 35 5.880 -16.459 -14.115 276 HA LYS 35 HA LYS 35 5.498 -14.607 -16.268 277 HB2 LYS 35 2HB LYS 35 5.586 -16.204 -18.100 278 HB3 LYS 35 3HB LYS 35 7.144 -16.131 -17.288 279 HG2 LYS 35 2HG LYS 35 6.924 -18.238 -16.382 280 HG3 LYS 35 3HG LYS 35 5.163 -18.218 -16.497 281 HD2 LYS 35 2HD LYS 35 5.251 -19.238 -18.470 282 HD3 LYS 35 3HD LYS 35 6.279 -17.957 -19.117 283 HE2 LYS 35 2HE LYS 35 8.153 -19.181 -18.892 284 HE3 LYS 35 3HE LYS 35 7.648 -19.851 -17.341 285 HZ1 LYS 35 3HZ LYS 35 6.786 -20.762 -20.031 286 HZ2 LYS 35 1HZ LYS 35 6.143 -21.342 -18.578 287 HZ3 LYS 35 2HZ LYS 35 7.774 -21.601 -18.944 288 H CYS 36 H CYS 36 3.587 -15.512 -17.714 289 HA CYS 36 HA CYS 36 1.520 -16.349 -15.815 290 HB2 CYS 36 2HB CYS 36 1.294 -15.117 -18.569 291 HB3 CYS 36 3HB CYS 36 -0.071 -15.538 -17.539 292 H THR 37 H THR 37 0.977 -18.417 -15.774 293 HA THR 37 HA THR 37 1.431 -20.070 -18.153 294 HB THR 37 HB THR 37 0.887 -21.962 -16.469 295 HG1 THR 37 HG1 THR 37 0.632 -21.381 -14.449 296 HG21 THR 37 3HG2 THR 37 3.100 -21.748 -17.289 297 HG22 THR 37 1HG2 THR 37 3.240 -21.819 -15.533 298 HG23 THR 37 2HG2 THR 37 3.378 -20.271 -16.368 299 H LYS 38 H LYS 38 -1.077 -18.931 -15.999 300 HA LYS 38 HA LYS 38 -3.077 -20.225 -17.733 301 HB2 LYS 38 2HB LYS 38 -2.702 -20.833 -15.095 302 HB3 LYS 38 3HB LYS 38 -3.933 -19.581 -14.991 303 HG2 LYS 38 2HG LYS 38 -5.448 -20.828 -16.307 304 HG3 LYS 38 3HG LYS 38 -4.195 -21.973 -16.790 305 HD2 LYS 38 2HD LYS 38 -4.076 -22.891 -14.597 306 HD3 LYS 38 3HD LYS 38 -5.078 -21.598 -13.934 307 HE2 LYS 38 2HE LYS 38 -6.321 -23.097 -16.125 308 HE3 LYS 38 3HE LYS 38 -5.984 -24.059 -14.687 309 HZ1 LYS 38 3HZ LYS 38 -8.154 -23.141 -14.480 310 HZ2 LYS 38 1HZ LYS 38 -7.608 -21.581 -14.840 311 HZ3 LYS 38 2HZ LYS 38 -7.157 -22.320 -13.387 312 H ASP 39 H ASP 39 -5.193 -19.099 -17.747 313 HA ASP 39 HA ASP 39 -4.770 -16.253 -18.061 314 HB2 ASP 39 2HB ASP 39 -7.110 -16.278 -18.942 315 HB3 ASP 39 3HB ASP 39 -6.020 -17.370 -19.791 316 H ASN 40 H ASN 40 -6.044 -14.627 -17.067 317 HA ASN 40 HA ASN 40 -7.078 -13.580 -15.332 318 HB2 ASN 40 2HB ASN 40 -8.759 -15.568 -15.916 319 HB3 ASN 40 3HB ASN 40 -8.289 -16.102 -14.305 320 HD21 ASN 40 1HD2 ASN 40 -8.536 -14.536 -12.554 321 HD22 ASN 40 2HD2 ASN 40 -9.851 -13.417 -12.624 322 H ASN 41 H ASN 41 -4.524 -15.265 -15.058 323 HA ASN 41 HA ASN 41 -4.314 -16.257 -12.455 324 HB2 ASN 41 2HB ASN 41 -2.489 -15.541 -14.617 325 HB3 ASN 41 3HB ASN 41 -1.793 -15.256 -13.025 326 HD21 ASN 41 1HD2 ASN 41 -0.786 -17.145 -14.771 327 HD22 ASN 41 2HD2 ASN 41 -1.054 -18.720 -14.115 328 H LYS 42 H LYS 42 -2.332 -15.053 -11.105 329 HA LYS 42 HA LYS 42 -3.210 -12.285 -10.649 330 HB2 LYS 42 2HB LYS 42 -3.926 -14.335 -8.984 331 HB3 LYS 42 3HB LYS 42 -2.444 -13.767 -8.226 332 HG2 LYS 42 2HG LYS 42 -4.035 -12.496 -7.166 333 HG3 LYS 42 3HG LYS 42 -3.531 -11.419 -8.470 334 HD2 LYS 42 2HD LYS 42 -5.920 -11.384 -8.370 335 HD3 LYS 42 3HD LYS 42 -5.453 -12.280 -9.817 336 HE2 LYS 42 2HE LYS 42 -5.917 -14.368 -8.762 337 HE3 LYS 42 3HE LYS 42 -6.124 -13.594 -7.191 338 HZ1 LYS 42 3HZ LYS 42 -8.277 -13.536 -7.680 339 HZ2 LYS 42 1HZ LYS 42 -8.017 -13.949 -9.300 340 HZ3 LYS 42 2HZ LYS 42 -7.921 -12.332 -8.813 341 H CYS 43 H CYS 43 -1.621 -10.851 -10.118 342 HA CYS 43 HA CYS 43 1.094 -11.917 -9.734 343 HB2 CYS 43 2HB CYS 43 2.020 -10.298 -11.237 344 HB3 CYS 43 3HB CYS 43 0.714 -11.118 -12.087 345 H THR 44 H THR 44 2.592 -9.931 -9.140 346 HA THR 44 HA THR 44 1.192 -8.128 -7.300 347 HB THR 44 HB THR 44 3.308 -8.617 -5.756 348 HG1 THR 44 HG1 THR 44 3.569 -10.995 -5.823 349 HG21 THR 44 3HG2 THR 44 1.384 -10.748 -5.328 350 HG22 THR 44 1HG2 THR 44 0.599 -9.209 -5.680 351 HG23 THR 44 2HG2 THR 44 1.736 -9.333 -4.337 352 H VAL 45 H VAL 45 2.176 -6.154 -6.982 353 HA VAL 45 HA VAL 45 4.803 -5.675 -8.159 354 HB VAL 45 HB VAL 45 2.362 -4.091 -8.972 355 HG11 VAL 45 1HG1 VAL 45 4.356 -2.695 -8.713 356 HG12 VAL 45 2HG1 VAL 45 5.248 -3.771 -9.791 357 HG13 VAL 45 3HG1 VAL 45 3.882 -2.838 -10.405 358 HG21 VAL 45 3HG2 VAL 45 2.535 -6.292 -10.067 359 HG22 VAL 45 1HG2 VAL 45 2.755 -4.959 -11.200 360 HG23 VAL 45 2HG2 VAL 45 4.153 -5.869 -10.626 361 H ASP 46 H ASP 46 5.971 -4.456 -6.835 362 HA ASP 46 HA ASP 46 4.561 -2.661 -4.970 363 HB2 ASP 46 2HB ASP 46 5.742 -4.758 -4.025 364 HB3 ASP 46 3HB ASP 46 7.238 -3.895 -4.372 365 H THR 47 H THR 47 5.168 -0.582 -4.930 366 HA THR 47 HA THR 47 7.139 0.309 -6.853 367 HB THR 47 HB THR 47 6.159 2.464 -5.239 368 HG1 THR 47 HG1 THR 47 4.338 1.403 -4.692 369 HG21 THR 47 3HG2 THR 47 5.161 3.163 -7.405 370 HG22 THR 47 1HG2 THR 47 5.621 1.602 -8.083 371 HG23 THR 47 2HG2 THR 47 6.864 2.726 -7.534 372 H TYR 48 H TYR 48 6.920 -0.195 -3.442 373 HA TYR 48 HA TYR 48 9.087 1.542 -2.725 374 HB2 TYR 48 2HB TYR 48 7.166 -0.116 -1.356 375 HB3 TYR 48 3HB TYR 48 8.780 -0.412 -0.722 376 HD1 TYR 48 HD1 TYR 48 6.969 2.645 -1.898 377 HD2 TYR 48 HD2 TYR 48 9.138 0.749 1.233 378 HE1 TYR 48 HE1 TYR 48 6.809 4.698 -0.553 379 HE2 TYR 48 HE2 TYR 48 8.983 2.796 2.587 380 HH TYR 48 HH TYR 48 6.985 5.479 1.642 381 H ASN 49 H ASN 49 8.710 -1.961 -3.162 382 HA ASN 49 HA ASN 49 11.601 -2.311 -2.895 383 HB2 ASN 49 2HB ASN 49 10.067 -3.843 -1.673 384 HB3 ASN 49 3HB ASN 49 9.445 -4.409 -3.221 385 HD21 ASN 49 1HD2 ASN 49 12.740 -3.674 -2.157 386 HD22 ASN 49 2HD2 ASN 49 13.380 -5.246 -2.479 387 H ASN 50 H ASN 50 9.400 -1.673 -5.290 388 HA ASN 50 HA ASN 50 9.380 -1.860 -7.561 389 HB2 ASN 50 2HB ASN 50 11.821 -0.907 -6.822 390 HB3 ASN 50 3HB ASN 50 12.287 -2.319 -7.766 391 HD21 ASN 50 1HD2 ASN 50 11.911 0.852 -7.995 392 HD22 ASN 50 2HD2 ASN 50 11.426 1.006 -9.646 393 H ALA 51 H ALA 51 9.213 -4.336 -5.969 394 HA ALA 51 HA ALA 51 10.436 -6.288 -7.784 395 HB1 ALA 51 1HB ALA 51 9.668 -7.941 -6.024 396 HB2 ALA 51 2HB ALA 51 10.927 -6.806 -5.537 397 HB3 ALA 51 3HB ALA 51 9.259 -6.542 -5.030 398 H VAL 52 H VAL 52 9.245 -7.724 -8.973 399 HA VAL 52 HA VAL 52 6.315 -7.527 -8.811 400 HB VAL 52 HB VAL 52 7.925 -7.493 -11.368 401 HG11 VAL 52 1HG1 VAL 52 4.970 -7.681 -10.847 402 HG12 VAL 52 2HG1 VAL 52 5.630 -7.132 -12.389 403 HG13 VAL 52 3HG1 VAL 52 5.984 -8.759 -11.805 404 HG21 VAL 52 3HG2 VAL 52 6.550 -5.397 -9.774 405 HG22 VAL 52 1HG2 VAL 52 8.031 -5.306 -10.727 406 HG23 VAL 52 2HG2 VAL 52 6.462 -5.289 -11.532 407 H ASP 53 H ASP 53 5.185 -9.394 -9.262 408 HA ASP 53 HA ASP 53 6.712 -11.775 -10.028 409 HB2 ASP 53 2HB ASP 53 5.579 -11.244 -7.402 410 HB3 ASP 53 3HB ASP 53 4.927 -12.719 -8.111 411 H CYS 54 H CYS 54 5.740 -12.610 -11.742 412 HA CYS 54 HA CYS 54 2.839 -12.264 -12.046 413 HB2 CYS 54 2HB CYS 54 4.583 -11.514 -13.830 414 HB3 CYS 54 3HB CYS 54 4.663 -13.227 -14.228 415 H ASP 55 H ASP 55 1.482 -13.967 -12.170 416 HA ASP 55 HA ASP 55 2.651 -16.623 -11.727 417 HB2 ASP 55 2HB ASP 55 0.935 -15.584 -10.118 418 HB3 ASP 55 3HB ASP 55 -0.254 -15.909 -11.377 Start of MODEL 10 1 H1 ALA 1 H ALA 1 0.717 -0.209 1.022 2 HA ALA 1 HA ALA 1 1.595 0.494 -0.962 3 HB1 ALA 1 1HB ALA 1 3.995 -0.440 0.563 4 HB2 ALA 1 2HB ALA 1 4.160 0.191 -1.076 5 HB3 ALA 1 3HB ALA 1 3.475 1.205 0.194 6 H LYS 2 H LYS 2 0.338 -1.952 -1.188 7 HA LYS 2 HA LYS 2 1.992 -3.268 -3.236 8 HB2 LYS 2 2HB LYS 2 0.827 -5.416 -2.583 9 HB3 LYS 2 3HB LYS 2 1.996 -4.801 -1.422 10 HG2 LYS 2 2HG LYS 2 -0.802 -3.945 -1.040 11 HG3 LYS 2 3HG LYS 2 -0.449 -5.650 -0.748 12 HD2 LYS 2 2HD LYS 2 1.167 -3.418 0.464 13 HD3 LYS 2 3HD LYS 2 -0.257 -4.103 1.251 14 HE2 LYS 2 2HE LYS 2 1.819 -5.992 0.291 15 HE3 LYS 2 3HE LYS 2 2.211 -5.006 1.700 16 HZ1 LYS 2 3HZ LYS 2 0.652 -6.033 2.970 17 HZ2 LYS 2 1HZ LYS 2 1.003 -7.316 1.923 18 HZ3 LYS 2 2HZ LYS 2 -0.376 -6.370 1.669 19 H TYR 3 H TYR 3 0.738 -4.412 -4.887 20 HA TYR 3 HA TYR 3 -2.024 -3.463 -5.171 21 HB2 TYR 3 2HB TYR 3 0.186 -3.155 -7.205 22 HB3 TYR 3 3HB TYR 3 -1.520 -3.031 -7.618 23 HD1 TYR 3 HD1 TYR 3 -2.698 -1.488 -5.510 24 HD2 TYR 3 HD2 TYR 3 1.142 -1.056 -7.290 25 HE1 TYR 3 HE1 TYR 3 -2.681 0.889 -4.881 26 HE2 TYR 3 HE2 TYR 3 1.171 1.322 -6.664 27 HH TYR 3 HH TYR 3 0.122 2.809 -5.030 28 H THR 4 H THR 4 -3.395 -4.964 -5.919 29 HA THR 4 HA THR 4 -2.265 -7.551 -6.721 30 HB THR 4 HB THR 4 -5.171 -7.363 -6.234 31 HG1 THR 4 HG1 THR 4 -3.334 -7.170 -4.063 32 HG21 THR 4 3HG2 THR 4 -4.072 -9.318 -4.628 33 HG22 THR 4 1HG2 THR 4 -2.994 -9.288 -6.022 34 HG23 THR 4 2HG2 THR 4 -4.722 -9.558 -6.249 35 H GLY 5 H GLY 5 -2.306 -8.108 -8.794 36 HA2 GLY 5 2HA GLY 5 -4.513 -7.122 -10.476 37 HA3 GLY 5 3HA GLY 5 -2.852 -6.922 -11.013 38 H LYS 6 H LYS 6 -4.785 -8.307 -12.487 39 HA LYS 6 HA LYS 6 -3.844 -11.090 -12.248 40 HB2 LYS 6 2HB LYS 6 -6.426 -10.098 -13.469 41 HB3 LYS 6 3HB LYS 6 -5.922 -11.778 -13.347 42 HG2 LYS 6 2HG LYS 6 -7.098 -11.826 -11.461 43 HG3 LYS 6 3HG LYS 6 -5.767 -10.912 -10.748 44 HD2 LYS 6 2HD LYS 6 -7.476 -9.511 -10.205 45 HD3 LYS 6 3HD LYS 6 -7.121 -8.881 -11.815 46 HE2 LYS 6 2HE LYS 6 -9.325 -9.185 -12.151 47 HE3 LYS 6 3HE LYS 6 -8.860 -10.864 -12.420 48 HZ1 LYS 6 3HZ LYS 6 -9.645 -9.807 -9.764 49 HZ2 LYS 6 1HZ LYS 6 -9.458 -11.426 -10.218 50 HZ3 LYS 6 2HZ LYS 6 -10.742 -10.517 -10.838 51 H CYS 7 H CYS 7 -3.190 -12.175 -14.102 52 HA CYS 7 HA CYS 7 -2.917 -10.533 -16.531 53 HB2 CYS 7 2HB CYS 7 -0.693 -11.319 -16.884 54 HB3 CYS 7 3HB CYS 7 -0.773 -10.767 -15.214 55 H THR 8 H THR 8 -2.470 -11.870 -18.498 56 HA THR 8 HA THR 8 -4.044 -14.357 -18.375 57 HB THR 8 HB THR 8 -3.797 -13.544 -21.066 58 HG1 THR 8 HG1 THR 8 -4.447 -11.424 -21.034 59 HG21 THR 8 3HG2 THR 8 -6.332 -12.882 -20.436 60 HG22 THR 8 1HG2 THR 8 -5.922 -13.880 -19.042 61 HG23 THR 8 2HG2 THR 8 -5.791 -14.544 -20.671 62 H LYS 9 H LYS 9 -3.377 -16.156 -19.613 63 HA LYS 9 HA LYS 9 -0.528 -16.475 -19.745 64 HB2 LYS 9 2HB LYS 9 -0.950 -18.759 -20.182 65 HB3 LYS 9 3HB LYS 9 -2.208 -18.256 -19.061 66 HG2 LYS 9 2HG LYS 9 -3.790 -18.062 -20.897 67 HG3 LYS 9 3HG LYS 9 -2.529 -18.516 -22.045 68 HD2 LYS 9 2HD LYS 9 -3.376 -20.271 -19.748 69 HD3 LYS 9 3HD LYS 9 -4.105 -20.364 -21.353 70 HE2 LYS 9 2HE LYS 9 -1.145 -20.623 -20.870 71 HE3 LYS 9 3HE LYS 9 -2.242 -22.003 -20.884 72 HZ1 LYS 9 3HZ LYS 9 -2.899 -20.828 -23.176 73 HZ2 LYS 9 1HZ LYS 9 -1.705 -22.021 -23.054 74 HZ3 LYS 9 2HZ LYS 9 -1.268 -20.387 -23.090 75 H SER 10 H SER 10 -3.040 -15.670 -21.970 76 HA SER 10 HA SER 10 -1.505 -16.358 -24.323 77 HB2 SER 10 2HB SER 10 -4.040 -16.457 -24.177 78 HB3 SER 10 3HB SER 10 -4.025 -14.694 -24.218 79 HG SER 10 HG SER 10 -4.261 -15.828 -26.297 80 H LYS 11 H LYS 11 -2.592 -13.386 -22.712 81 HA LYS 11 HA LYS 11 -0.994 -11.749 -24.500 82 HB2 LYS 11 2HB LYS 11 -3.246 -11.335 -22.756 83 HB3 LYS 11 3HB LYS 11 -1.976 -10.181 -22.370 84 HG2 LYS 11 2HG LYS 11 -2.403 -8.981 -24.186 85 HG3 LYS 11 3HG LYS 11 -2.363 -10.408 -25.224 86 HD2 LYS 11 2HD LYS 11 -4.698 -10.916 -24.366 87 HD3 LYS 11 3HD LYS 11 -4.694 -9.289 -23.683 88 HE2 LYS 11 2HE LYS 11 -3.833 -9.303 -26.450 89 HE3 LYS 11 3HE LYS 11 -5.435 -10.015 -26.260 90 HZ1 LYS 11 3HZ LYS 11 -5.433 -7.576 -26.633 91 HZ2 LYS 11 1HZ LYS 11 -4.661 -7.378 -25.141 92 HZ3 LYS 11 2HZ LYS 11 -6.214 -8.045 -25.208 93 H ASN 12 H ASN 12 -0.605 -13.361 -21.541 94 HA ASN 12 HA ASN 12 0.958 -13.288 -19.878 95 HB2 ASN 12 2HB ASN 12 2.250 -13.239 -22.406 96 HB3 ASN 12 3HB ASN 12 3.166 -12.187 -21.331 97 HD21 ASN 12 1HD2 ASN 12 4.663 -13.130 -20.160 98 HD22 ASN 12 2HD2 ASN 12 4.714 -14.800 -19.721 99 H GLU 13 H GLU 13 -0.660 -10.918 -20.141 100 HA GLU 13 HA GLU 13 1.213 -8.946 -19.011 101 HB2 GLU 13 2HB GLU 13 0.156 -7.167 -20.100 102 HB3 GLU 13 3HB GLU 13 0.247 -8.415 -21.336 103 HG2 GLU 13 2HG GLU 13 -2.154 -8.999 -20.340 104 HG3 GLU 13 3HG GLU 13 -2.103 -7.281 -19.950 105 H CYS 14 H CYS 14 0.632 -7.997 -17.126 106 HA CYS 14 HA CYS 14 -1.782 -9.026 -15.835 107 HB2 CYS 14 2HB CYS 14 0.682 -8.969 -14.855 108 HB3 CYS 14 3HB CYS 14 0.210 -7.338 -14.388 109 H LYS 15 H LYS 15 -2.920 -7.475 -14.332 110 HA LYS 15 HA LYS 15 -2.922 -4.709 -15.267 111 HB2 LYS 15 2HB LYS 15 -4.568 -5.861 -16.682 112 HB3 LYS 15 3HB LYS 15 -5.398 -6.447 -15.247 113 HG2 LYS 15 2HG LYS 15 -5.022 -3.522 -15.483 114 HG3 LYS 15 3HG LYS 15 -6.177 -4.284 -16.579 115 HD2 LYS 15 2HD LYS 15 -6.311 -5.026 -13.708 116 HD3 LYS 15 3HD LYS 15 -6.868 -3.414 -14.161 117 HE2 LYS 15 2HE LYS 15 -7.801 -5.889 -15.587 118 HE3 LYS 15 3HE LYS 15 -8.597 -5.292 -14.132 119 HZ1 LYS 15 3HZ LYS 15 -8.245 -3.778 -16.663 120 HZ2 LYS 15 1HZ LYS 15 -8.989 -3.187 -15.263 121 HZ3 LYS 15 2HZ LYS 15 -9.688 -4.471 -16.114 122 H TYR 16 H TYR 16 -2.938 -3.409 -13.563 123 HA TYR 16 HA TYR 16 -4.492 -4.148 -11.197 124 HB2 TYR 16 2HB TYR 16 -2.608 -3.489 -9.717 125 HB3 TYR 16 3HB TYR 16 -2.257 -4.923 -10.676 126 HD1 TYR 16 HD1 TYR 16 -0.704 -4.770 -12.603 127 HD2 TYR 16 HD2 TYR 16 -1.336 -1.485 -9.973 128 HE1 TYR 16 HE1 TYR 16 1.350 -3.710 -13.443 129 HE2 TYR 16 HE2 TYR 16 0.716 -0.416 -10.807 130 HH TYR 16 HH TYR 16 2.506 -0.631 -12.108 131 H LYS 17 H LYS 17 -4.717 -2.303 -9.669 132 HA LYS 17 HA LYS 17 -5.063 0.172 -11.191 133 HB2 LYS 17 2HB LYS 17 -6.339 -1.013 -8.775 134 HB3 LYS 17 3HB LYS 17 -6.280 0.742 -8.887 135 HG2 LYS 17 2HG LYS 17 -7.589 0.773 -10.831 136 HG3 LYS 17 3HG LYS 17 -7.353 -0.952 -11.118 137 HD2 LYS 17 2HD LYS 17 -8.560 -0.368 -8.526 138 HD3 LYS 17 3HD LYS 17 -9.531 0.193 -9.889 139 HE2 LYS 17 2HE LYS 17 -8.846 -2.258 -10.770 140 HE3 LYS 17 3HE LYS 17 -8.859 -2.550 -9.032 141 HZ1 LYS 17 3HZ LYS 17 -11.023 -2.994 -9.723 142 HZ2 LYS 17 1HZ LYS 17 -11.084 -1.658 -10.760 143 HZ3 LYS 17 2HZ LYS 17 -11.127 -1.431 -9.084 144 H ASN 18 H ASN 18 -4.025 2.037 -10.721 145 HA ASN 18 HA ASN 18 -1.871 1.883 -8.751 146 HB2 ASN 18 2HB ASN 18 -2.062 4.315 -10.388 147 HB3 ASN 18 3HB ASN 18 -0.686 3.253 -10.103 148 HD21 ASN 18 1HD2 ASN 18 -3.439 3.908 -12.103 149 HD22 ASN 18 2HD2 ASN 18 -3.023 2.828 -13.385 150 H ASP 19 H ASP 19 -1.414 4.443 -8.074 151 HA ASP 19 HA ASP 19 -3.286 4.931 -6.036 152 HB2 ASP 19 2HB ASP 19 -2.014 6.900 -5.534 153 HB3 ASP 19 3HB ASP 19 -0.878 5.652 -6.040 154 H ALA 20 H ALA 20 -3.316 5.748 -9.342 155 HA ALA 20 HA ALA 20 -4.925 8.109 -9.154 156 HB1 ALA 20 1HB ALA 20 -4.406 6.273 -11.490 157 HB2 ALA 20 2HB ALA 20 -5.204 7.843 -11.582 158 HB3 ALA 20 3HB ALA 20 -3.514 7.742 -11.090 159 H GLY 21 H GLY 21 -5.553 4.775 -8.871 160 HA2 GLY 21 2HA GLY 21 -7.587 3.825 -8.215 161 HA3 GLY 21 3HA GLY 21 -8.405 5.307 -8.686 162 H LYS 22 H LYS 22 -6.620 4.852 -11.271 163 HA LYS 22 HA LYS 22 -8.762 3.519 -12.711 164 HB2 LYS 22 2HB LYS 22 -6.527 5.316 -13.390 165 HB3 LYS 22 3HB LYS 22 -6.882 4.091 -14.600 166 HG2 LYS 22 2HG LYS 22 -9.331 4.891 -14.329 167 HG3 LYS 22 3HG LYS 22 -8.596 6.329 -13.616 168 HD2 LYS 22 2HD LYS 22 -7.467 5.373 -16.183 169 HD3 LYS 22 3HD LYS 22 -9.078 6.091 -16.236 170 HE2 LYS 22 2HE LYS 22 -6.994 7.528 -14.693 171 HE3 LYS 22 3HE LYS 22 -6.847 7.536 -16.450 172 HZ1 LYS 22 3HZ LYS 22 -9.353 8.285 -15.060 173 HZ2 LYS 22 1HZ LYS 22 -8.932 8.568 -16.674 174 HZ3 LYS 22 2HZ LYS 22 -8.151 9.414 -15.436 175 H ASP 23 H ASP 23 -8.311 1.825 -14.280 176 HA ASP 23 HA ASP 23 -6.499 -0.153 -13.169 177 HB2 ASP 23 2HB ASP 23 -8.670 -0.228 -15.249 178 HB3 ASP 23 3HB ASP 23 -7.551 -1.574 -15.057 179 H THR 24 H THR 24 -4.580 -0.698 -13.986 180 HA THR 24 HA THR 24 -3.888 0.263 -16.685 181 HB THR 24 HB THR 24 -2.087 0.231 -14.255 182 HG1 THR 24 HG1 THR 24 -2.082 2.597 -15.076 183 HG21 THR 24 3HG2 THR 24 -0.858 -0.372 -16.279 184 HG22 THR 24 1HG2 THR 24 -0.408 1.242 -15.733 185 HG23 THR 24 2HG2 THR 24 -1.500 1.048 -17.104 186 H PHE 25 H PHE 25 -2.913 -1.163 -18.016 187 HA PHE 25 HA PHE 25 -2.310 -3.825 -16.911 188 HB2 PHE 25 2HB PHE 25 -2.662 -4.582 -19.325 189 HB3 PHE 25 3HB PHE 25 -4.095 -4.069 -18.442 190 HD1 PHE 25 HD2 PHE 25 -1.610 -3.009 -20.963 191 HD2 PHE 25 HD1 PHE 25 -5.413 -2.277 -19.196 192 HE1 PHE 25 HE2 PHE 25 -2.123 -1.392 -22.745 193 HE2 PHE 25 HE1 PHE 25 -5.932 -0.659 -20.976 194 HZ PHE 25 HZ PHE 25 -4.285 -0.214 -22.753 195 H ILE 26 H ILE 26 -0.373 -4.779 -17.327 196 HA ILE 26 HA ILE 26 1.484 -3.471 -19.171 197 HB ILE 26 HB ILE 26 1.844 -2.569 -16.836 198 HG12 ILE 26 2HG1 ILE 26 4.327 -4.027 -17.565 199 HG13 ILE 26 3HG1 ILE 26 3.598 -3.030 -18.819 200 HG21 ILE 26 1HG2 ILE 26 2.868 -5.360 -16.327 201 HG22 ILE 26 2HG2 ILE 26 2.970 -3.990 -15.222 202 HG23 ILE 26 3HG2 ILE 26 1.397 -4.669 -15.642 203 HD11 ILE 26 3HD1 ILE 26 3.583 -1.178 -17.045 204 HD12 ILE 26 1HD1 ILE 26 4.726 -2.203 -16.178 205 HD13 ILE 26 2HD1 ILE 26 5.118 -1.615 -17.794 206 H LYS 27 H LYS 27 2.871 -4.845 -20.179 207 HA LYS 27 HA LYS 27 2.295 -7.616 -20.144 208 HB2 LYS 27 2HB LYS 27 4.559 -7.627 -21.505 209 HB3 LYS 27 3HB LYS 27 3.082 -6.976 -22.203 210 HG2 LYS 27 2HG LYS 27 5.071 -5.560 -22.587 211 HG3 LYS 27 3HG LYS 27 3.772 -4.731 -21.725 212 HD2 LYS 27 2HD LYS 27 4.914 -4.869 -19.666 213 HD3 LYS 27 3HD LYS 27 6.055 -6.063 -20.290 214 HE2 LYS 27 2HE LYS 27 6.547 -4.060 -21.995 215 HE3 LYS 27 3HE LYS 27 6.011 -3.119 -20.605 216 HZ1 LYS 27 3HZ LYS 27 7.694 -4.153 -19.259 217 HZ2 LYS 27 1HZ LYS 27 8.423 -3.491 -20.635 218 HZ3 LYS 27 2HZ LYS 27 8.167 -5.160 -20.533 219 H CYS 28 H CYS 28 3.568 -9.367 -19.470 220 HA CYS 28 HA CYS 28 5.372 -8.725 -17.245 221 HB2 CYS 28 2HB CYS 28 3.549 -10.999 -17.858 222 HB3 CYS 28 3HB CYS 28 5.003 -11.347 -16.930 223 HA PRO 29 HA PRO 29 8.957 -10.296 -19.224 224 HB2 PRO 29 2HB PRO 29 10.181 -11.683 -17.237 225 HB3 PRO 29 3HB PRO 29 10.098 -9.918 -17.266 226 HG2 PRO 29 2HG PRO 29 8.408 -11.870 -15.751 227 HG3 PRO 29 3HG PRO 29 9.110 -10.337 -15.202 228 HD2 PRO 29 2HD PRO 29 6.516 -10.568 -15.943 229 HD3 PRO 29 3HD PRO 29 7.450 -9.078 -16.188 230 H LYS 30 H LYS 30 9.625 -12.007 -20.427 231 HA LYS 30 HA LYS 30 7.999 -14.403 -20.353 232 HB2 LYS 30 2HB LYS 30 8.909 -13.051 -22.433 233 HB3 LYS 30 3HB LYS 30 10.318 -14.080 -22.210 234 HG2 LYS 30 2HG LYS 30 9.306 -15.780 -23.201 235 HG3 LYS 30 3HG LYS 30 7.920 -15.655 -22.116 236 HD2 LYS 30 2HD LYS 30 7.388 -13.572 -23.691 237 HD3 LYS 30 3HD LYS 30 8.320 -14.539 -24.837 238 HE2 LYS 30 2HE LYS 30 6.673 -16.418 -23.772 239 HE3 LYS 30 3HE LYS 30 5.642 -14.989 -23.712 240 HZ1 LYS 30 3HZ LYS 30 7.100 -15.573 -26.190 241 HZ2 LYS 30 1HZ LYS 30 5.608 -14.803 -25.974 242 HZ3 LYS 30 2HZ LYS 30 5.721 -16.485 -25.830 243 H PHE 31 H PHE 31 10.390 -13.553 -18.470 244 HA PHE 31 HA PHE 31 12.225 -15.740 -18.744 245 HB2 PHE 31 2HB PHE 31 11.803 -13.640 -16.623 246 HB3 PHE 31 3HB PHE 31 12.994 -14.924 -16.444 247 HD1 PHE 31 HD1 PHE 31 12.021 -12.018 -18.502 248 HD2 PHE 31 HD2 PHE 31 15.077 -14.821 -17.540 249 HE1 PHE 31 HE1 PHE 31 13.644 -10.682 -19.781 250 HE2 PHE 31 HE2 PHE 31 16.705 -13.488 -18.816 251 HZ PHE 31 HZ PHE 31 15.989 -11.416 -19.938 252 H ASP 32 H ASP 32 12.427 -17.557 -17.441 253 HA ASP 32 HA ASP 32 10.045 -18.785 -16.604 254 HB2 ASP 32 2HB ASP 32 12.866 -19.464 -16.720 255 HB3 ASP 32 3HB ASP 32 12.103 -20.120 -15.274 256 H ASN 33 H ASN 33 12.072 -16.545 -15.030 257 HA ASN 33 HA ASN 33 11.617 -17.310 -12.336 258 HB2 ASN 33 2HB ASN 33 12.435 -14.690 -13.596 259 HB3 ASN 33 3HB ASN 33 12.303 -14.914 -11.854 260 HD21 ASN 33 1HD2 ASN 33 14.529 -14.557 -13.997 261 HD22 ASN 33 2HD2 ASN 33 15.726 -15.694 -13.486 262 H LYS 34 H LYS 34 9.869 -15.319 -14.627 263 HA LYS 34 HA LYS 34 7.516 -15.409 -12.964 264 HB2 LYS 34 2HB LYS 34 9.051 -12.871 -13.393 265 HB3 LYS 34 3HB LYS 34 7.298 -12.816 -13.257 266 HG2 LYS 34 2HG LYS 34 7.657 -12.629 -11.067 267 HG3 LYS 34 3HG LYS 34 7.992 -14.362 -11.113 268 HD2 LYS 34 2HD LYS 34 10.409 -13.501 -11.775 269 HD3 LYS 34 3HD LYS 34 9.867 -12.062 -10.909 270 HE2 LYS 34 2HE LYS 34 9.096 -14.040 -9.208 271 HE3 LYS 34 3HE LYS 34 10.563 -14.730 -9.900 272 HZ1 LYS 34 3HZ LYS 34 10.520 -11.971 -8.848 273 HZ2 LYS 34 1HZ LYS 34 11.851 -12.984 -9.105 274 HZ3 LYS 34 2HZ LYS 34 10.787 -13.292 -7.827 275 H LYS 35 H LYS 35 5.841 -15.734 -14.262 276 HA LYS 35 HA LYS 35 5.418 -14.261 -16.664 277 HB2 LYS 35 2HB LYS 35 5.475 -16.184 -18.221 278 HB3 LYS 35 3HB LYS 35 7.061 -15.796 -17.568 279 HG2 LYS 35 2HG LYS 35 6.463 -17.626 -15.805 280 HG3 LYS 35 3HG LYS 35 5.318 -18.154 -17.040 281 HD2 LYS 35 2HD LYS 35 7.836 -17.626 -18.276 282 HD3 LYS 35 3HD LYS 35 8.093 -18.679 -16.883 283 HE2 LYS 35 2HE LYS 35 5.780 -19.418 -18.509 284 HE3 LYS 35 3HE LYS 35 7.310 -19.494 -19.382 285 HZ1 LYS 35 3HZ LYS 35 6.782 -21.596 -18.306 286 HZ2 LYS 35 1HZ LYS 35 6.738 -20.836 -16.795 287 HZ3 LYS 35 2HZ LYS 35 8.192 -20.924 -17.654 288 H CYS 36 H CYS 36 3.518 -15.388 -17.945 289 HA CYS 36 HA CYS 36 1.550 -16.214 -15.919 290 HB2 CYS 36 2HB CYS 36 1.432 -14.099 -17.670 291 HB3 CYS 36 3HB CYS 36 0.513 -15.336 -18.520 292 H THR 37 H THR 37 1.050 -18.293 -15.950 293 HA THR 37 HA THR 37 1.373 -19.813 -18.438 294 HB THR 37 HB THR 37 0.848 -21.745 -16.666 295 HG1 THR 37 HG1 THR 37 2.063 -21.021 -14.702 296 HG21 THR 37 3HG2 THR 37 2.837 -21.874 -17.886 297 HG22 THR 37 1HG2 THR 37 3.389 -21.754 -16.216 298 HG23 THR 37 2HG2 THR 37 3.430 -20.335 -17.262 299 H LYS 38 H LYS 38 -0.998 -18.880 -16.034 300 HA LYS 38 HA LYS 38 -3.087 -20.148 -17.682 301 HB2 LYS 38 2HB LYS 38 -2.635 -21.043 -15.280 302 HB3 LYS 38 3HB LYS 38 -3.452 -19.575 -14.757 303 HG2 LYS 38 2HG LYS 38 -5.455 -20.417 -15.216 304 HG3 LYS 38 3HG LYS 38 -4.943 -20.964 -16.815 305 HD2 LYS 38 2HD LYS 38 -3.990 -22.973 -15.863 306 HD3 LYS 38 3HD LYS 38 -4.360 -22.411 -14.231 307 HE2 LYS 38 2HE LYS 38 -6.653 -22.486 -16.065 308 HE3 LYS 38 3HE LYS 38 -5.944 -24.059 -15.702 309 HZ1 LYS 38 3HZ LYS 38 -6.068 -23.185 -13.272 310 HZ2 LYS 38 1HZ LYS 38 -7.448 -23.829 -14.010 311 HZ3 LYS 38 2HZ LYS 38 -7.255 -22.153 -13.894 312 H ASP 39 H ASP 39 -5.015 -19.003 -17.992 313 HA ASP 39 HA ASP 39 -4.722 -16.172 -18.114 314 HB2 ASP 39 2HB ASP 39 -7.071 -16.210 -18.942 315 HB3 ASP 39 3HB ASP 39 -6.010 -17.314 -19.813 316 H ASN 40 H ASN 40 -5.995 -14.576 -17.066 317 HA ASN 40 HA ASN 40 -6.977 -13.562 -15.283 318 HB2 ASN 40 2HB ASN 40 -8.643 -15.589 -15.849 319 HB3 ASN 40 3HB ASN 40 -8.154 -16.078 -14.230 320 HD21 ASN 40 1HD2 ASN 40 -8.121 -14.101 -12.668 321 HD22 ASN 40 2HD2 ASN 40 -9.559 -13.143 -12.694 322 H ASN 41 H ASN 41 -4.384 -15.127 -15.099 323 HA ASN 41 HA ASN 41 -4.078 -16.229 -12.548 324 HB2 ASN 41 2HB ASN 41 -2.429 -15.739 -14.746 325 HB3 ASN 41 3HB ASN 41 -1.697 -14.818 -13.435 326 HD21 ASN 41 1HD2 ASN 41 -0.872 -17.287 -14.868 327 HD22 ASN 41 2HD2 ASN 41 -0.586 -18.451 -13.623 328 H LYS 42 H LYS 42 -2.091 -14.964 -11.217 329 HA LYS 42 HA LYS 42 -3.123 -12.284 -10.593 330 HB2 LYS 42 2HB LYS 42 -3.406 -14.579 -8.960 331 HB3 LYS 42 3HB LYS 42 -2.192 -13.561 -8.198 332 HG2 LYS 42 2HG LYS 42 -4.238 -12.905 -7.265 333 HG3 LYS 42 3HG LYS 42 -3.840 -11.653 -8.443 334 HD2 LYS 42 2HD LYS 42 -6.170 -12.206 -8.660 335 HD3 LYS 42 3HD LYS 42 -5.312 -12.806 -10.081 336 HE2 LYS 42 2HE LYS 42 -5.916 -14.906 -9.650 337 HE3 LYS 42 3HE LYS 42 -5.370 -14.785 -7.978 338 HZ1 LYS 42 3HZ LYS 42 -7.570 -13.455 -7.704 339 HZ2 LYS 42 1HZ LYS 42 -7.600 -15.147 -7.709 340 HZ3 LYS 42 2HZ LYS 42 -8.038 -14.289 -9.100 341 H CYS 43 H CYS 43 -1.610 -10.841 -9.679 342 HA CYS 43 HA CYS 43 1.185 -11.734 -9.656 343 HB2 CYS 43 2HB CYS 43 0.522 -9.065 -10.838 344 HB3 CYS 43 3HB CYS 43 1.933 -10.083 -11.105 345 H THR 44 H THR 44 2.580 -9.730 -8.876 346 HA THR 44 HA THR 44 1.178 -8.273 -6.759 347 HB THR 44 HB THR 44 3.649 -9.031 -5.630 348 HG1 THR 44 HG1 THR 44 3.337 -11.352 -5.629 349 HG21 THR 44 3HG2 THR 44 1.078 -8.721 -4.818 350 HG22 THR 44 1HG2 THR 44 2.349 -9.441 -3.830 351 HG23 THR 44 2HG2 THR 44 1.245 -10.475 -4.737 352 H VAL 45 H VAL 45 2.018 -6.283 -6.304 353 HA VAL 45 HA VAL 45 4.595 -5.538 -7.475 354 HB VAL 45 HB VAL 45 2.043 -3.996 -7.964 355 HG11 VAL 45 1HG1 VAL 45 3.601 -2.316 -7.800 356 HG12 VAL 45 2HG1 VAL 45 4.925 -3.340 -8.361 357 HG13 VAL 45 3HG1 VAL 45 3.735 -2.726 -9.510 358 HG21 VAL 45 3HG2 VAL 45 1.915 -5.608 -9.572 359 HG22 VAL 45 1HG2 VAL 45 2.965 -4.463 -10.407 360 HG23 VAL 45 2HG2 VAL 45 3.658 -5.872 -9.605 361 H ASP 46 H ASP 46 5.775 -4.441 -6.059 362 HA ASP 46 HA ASP 46 4.417 -3.206 -3.763 363 HB2 ASP 46 2HB ASP 46 6.718 -4.880 -3.984 364 HB3 ASP 46 3HB ASP 46 7.236 -3.312 -3.372 365 H THR 47 H THR 47 4.553 -1.074 -3.389 366 HA THR 47 HA THR 47 5.776 0.592 -5.413 367 HB THR 47 HB THR 47 4.746 2.092 -3.177 368 HG1 THR 47 HG1 THR 47 3.028 0.968 -2.698 369 HG21 THR 47 3HG2 THR 47 4.896 3.015 -5.391 370 HG22 THR 47 1HG2 THR 47 3.192 2.928 -4.944 371 HG23 THR 47 2HG2 THR 47 3.877 1.732 -6.045 372 H TYR 48 H TYR 48 6.611 -0.629 -2.339 373 HA TYR 48 HA TYR 48 8.411 1.510 -1.630 374 HB2 TYR 48 2HB TYR 48 7.131 -0.302 -0.128 375 HB3 TYR 48 3HB TYR 48 8.654 -1.159 -0.345 376 HD1 TYR 48 HD1 TYR 48 7.465 2.283 0.520 377 HD2 TYR 48 HD2 TYR 48 10.280 -0.823 1.252 378 HE1 TYR 48 HE1 TYR 48 8.468 3.625 2.320 379 HE2 TYR 48 HE2 TYR 48 11.290 0.510 3.055 380 HH TYR 48 HH TYR 48 10.622 3.800 3.503 381 H ASN 49 H ASN 49 8.676 -1.772 -2.924 382 HA ASN 49 HA ASN 49 11.555 -1.362 -3.325 383 HB2 ASN 49 2HB ASN 49 9.854 -3.859 -3.360 384 HB3 ASN 49 3HB ASN 49 11.550 -3.837 -3.833 385 HD21 ASN 49 1HD2 ASN 49 10.130 -5.183 -1.615 386 HD22 ASN 49 2HD2 ASN 49 10.964 -4.697 -0.182 387 H ASN 50 H ASN 50 8.697 -1.014 -4.956 388 HA ASN 50 HA ASN 50 8.090 -0.865 -7.147 389 HB2 ASN 50 2HB ASN 50 10.396 0.571 -6.805 390 HB3 ASN 50 3HB ASN 50 10.829 -0.483 -8.147 391 HD21 ASN 50 1HD2 ASN 50 8.212 1.636 -7.047 392 HD22 ASN 50 2HD2 ASN 50 7.832 2.264 -8.611 393 H ALA 51 H ALA 51 8.707 -3.497 -6.199 394 HA ALA 51 HA ALA 51 9.881 -4.764 -8.579 395 HB1 ALA 51 1HB ALA 51 11.016 -5.486 -6.640 396 HB2 ALA 51 2HB ALA 51 9.509 -5.749 -5.762 397 HB3 ALA 51 3HB ALA 51 9.949 -6.814 -7.097 398 H VAL 52 H VAL 52 8.801 -6.431 -9.651 399 HA VAL 52 HA VAL 52 5.951 -6.752 -8.974 400 HB VAL 52 HB VAL 52 7.102 -6.521 -11.758 401 HG11 VAL 52 1HG1 VAL 52 4.499 -7.423 -10.706 402 HG12 VAL 52 2HG1 VAL 52 4.437 -6.308 -12.072 403 HG13 VAL 52 3HG1 VAL 52 5.319 -7.830 -12.213 404 HG21 VAL 52 3HG2 VAL 52 5.482 -4.498 -11.745 405 HG22 VAL 52 1HG2 VAL 52 5.626 -4.610 -9.991 406 HG23 VAL 52 2HG2 VAL 52 7.062 -4.337 -10.978 407 H ASP 53 H ASP 53 5.063 -8.774 -9.267 408 HA ASP 53 HA ASP 53 6.802 -10.900 -10.291 409 HB2 ASP 53 2HB ASP 53 6.582 -10.527 -7.613 410 HB3 ASP 53 3HB ASP 53 5.226 -11.615 -7.896 411 H CYS 54 H CYS 54 5.755 -12.069 -11.747 412 HA CYS 54 HA CYS 54 2.820 -12.020 -11.751 413 HB2 CYS 54 2HB CYS 54 4.585 -12.980 -13.999 414 HB3 CYS 54 3HB CYS 54 2.899 -12.478 -14.078 415 H ASP 55 H ASP 55 1.619 -13.848 -11.619 416 HA ASP 55 HA ASP 55 2.567 -16.093 -10.324 417 HB2 ASP 55 2HB ASP 55 0.104 -15.358 -11.741 418 HB3 ASP 55 3HB ASP 55 0.424 -17.090 -11.725 Start of MODEL 11 1 H1 ALA 1 H ALA 1 1.383 -0.155 0.812 2 HA ALA 1 HA ALA 1 1.696 0.571 -1.894 3 HB1 ALA 1 1HB ALA 1 3.804 -0.808 -0.257 4 HB2 ALA 1 2HB ALA 1 4.012 0.379 -1.545 5 HB3 ALA 1 3HB ALA 1 3.351 0.875 0.013 6 H LYS 2 H LYS 2 0.058 -1.849 -1.423 7 HA LYS 2 HA LYS 2 1.514 -3.650 -3.238 8 HB2 LYS 2 2HB LYS 2 0.760 -4.228 -0.585 9 HB3 LYS 2 3HB LYS 2 -0.366 -5.105 -1.612 10 HG2 LYS 2 2HG LYS 2 1.623 -6.023 -2.837 11 HG3 LYS 2 3HG LYS 2 2.633 -5.309 -1.578 12 HD2 LYS 2 2HD LYS 2 0.705 -6.670 -0.151 13 HD3 LYS 2 3HD LYS 2 1.014 -7.730 -1.528 14 HE2 LYS 2 2HE LYS 2 2.724 -8.485 -0.286 15 HE3 LYS 2 3HE LYS 2 3.541 -7.017 -0.819 16 HZ1 LYS 2 3HZ LYS 2 3.692 -7.285 1.573 17 HZ2 LYS 2 1HZ LYS 2 2.006 -7.325 1.705 18 HZ3 LYS 2 2HZ LYS 2 2.780 -5.911 1.194 19 H TYR 3 H TYR 3 0.478 -3.797 -5.105 20 HA TYR 3 HA TYR 3 -2.446 -3.450 -5.128 21 HB2 TYR 3 2HB TYR 3 -0.402 -2.926 -7.294 22 HB3 TYR 3 3HB TYR 3 -2.143 -2.823 -7.531 23 HD1 TYR 3 HD1 TYR 3 -3.325 -1.303 -5.611 24 HD2 TYR 3 HD2 TYR 3 0.687 -0.926 -6.977 25 HE1 TYR 3 HE1 TYR 3 -3.294 1.037 -4.854 26 HE2 TYR 3 HE2 TYR 3 0.730 1.414 -6.223 27 HH TYR 3 HH TYR 3 -1.689 2.744 -4.215 28 H THR 4 H THR 4 -3.711 -5.038 -5.883 29 HA THR 4 HA THR 4 -2.402 -7.500 -6.781 30 HB THR 4 HB THR 4 -5.260 -7.747 -6.429 31 HG1 THR 4 HG1 THR 4 -3.757 -6.519 -4.362 32 HG21 THR 4 3HG2 THR 4 -4.644 -9.585 -5.040 33 HG22 THR 4 1HG2 THR 4 -3.026 -8.933 -4.788 34 HG23 THR 4 2HG2 THR 4 -3.493 -9.542 -6.375 35 H GLY 5 H GLY 5 -2.480 -8.127 -8.839 36 HA2 GLY 5 2HA GLY 5 -4.686 -7.162 -10.531 37 HA3 GLY 5 3HA GLY 5 -3.026 -6.930 -11.060 38 H LYS 6 H LYS 6 -4.927 -8.345 -12.548 39 HA LYS 6 HA LYS 6 -3.948 -11.115 -12.306 40 HB2 LYS 6 2HB LYS 6 -6.519 -10.157 -13.577 41 HB3 LYS 6 3HB LYS 6 -5.999 -11.830 -13.429 42 HG2 LYS 6 2HG LYS 6 -7.068 -11.941 -11.497 43 HG3 LYS 6 3HG LYS 6 -5.928 -10.767 -10.835 44 HD2 LYS 6 2HD LYS 6 -7.934 -9.710 -10.441 45 HD3 LYS 6 3HD LYS 6 -7.496 -9.031 -12.011 46 HE2 LYS 6 2HE LYS 6 -8.848 -11.260 -12.762 47 HE3 LYS 6 3HE LYS 6 -9.691 -10.844 -11.271 48 HZ1 LYS 6 3HZ LYS 6 -9.296 -8.509 -12.783 49 HZ2 LYS 6 1HZ LYS 6 -10.754 -9.245 -12.341 50 HZ3 LYS 6 2HZ LYS 6 -9.989 -9.683 -13.784 51 H CYS 7 H CYS 7 -3.228 -12.177 -14.141 52 HA CYS 7 HA CYS 7 -2.914 -10.513 -16.552 53 HB2 CYS 7 2HB CYS 7 -0.699 -11.323 -16.875 54 HB3 CYS 7 3HB CYS 7 -0.801 -10.818 -15.192 55 H THR 8 H THR 8 -2.667 -11.712 -18.558 56 HA THR 8 HA THR 8 -4.241 -14.190 -18.504 57 HB THR 8 HB THR 8 -3.902 -13.386 -21.174 58 HG1 THR 8 HG1 THR 8 -4.664 -11.174 -19.546 59 HG21 THR 8 3HG2 THR 8 -6.178 -13.480 -21.209 60 HG22 THR 8 1HG2 THR 8 -6.349 -12.562 -19.713 61 HG23 THR 8 2HG2 THR 8 -5.915 -14.271 -19.655 62 H LYS 9 H LYS 9 -3.604 -16.010 -19.709 63 HA LYS 9 HA LYS 9 -0.765 -16.428 -19.786 64 HB2 LYS 9 2HB LYS 9 -2.399 -18.178 -19.087 65 HB3 LYS 9 3HB LYS 9 -2.977 -18.252 -20.747 66 HG2 LYS 9 2HG LYS 9 -0.405 -18.678 -21.226 67 HG3 LYS 9 3HG LYS 9 -0.457 -19.266 -19.563 68 HD2 LYS 9 2HD LYS 9 -2.422 -20.688 -20.247 69 HD3 LYS 9 3HD LYS 9 -2.072 -20.232 -21.916 70 HE2 LYS 9 2HE LYS 9 -0.114 -21.434 -21.974 71 HE3 LYS 9 3HE LYS 9 0.129 -21.327 -20.232 72 HZ1 LYS 9 3HZ LYS 9 -1.245 -23.087 -19.837 73 HZ2 LYS 9 1HZ LYS 9 -0.633 -23.546 -21.346 74 HZ3 LYS 9 2HZ LYS 9 -2.169 -22.847 -21.234 75 H SER 10 H SER 10 -3.217 -15.570 -22.062 76 HA SER 10 HA SER 10 -1.655 -16.311 -24.382 77 HB2 SER 10 2HB SER 10 -3.845 -14.489 -24.931 78 HB3 SER 10 3HB SER 10 -3.612 -16.151 -25.471 79 HG SER 10 HG SER 10 -5.416 -16.171 -24.214 80 H LYS 11 H LYS 11 -2.703 -13.302 -22.814 81 HA LYS 11 HA LYS 11 -1.037 -11.714 -24.583 82 HB2 LYS 11 2HB LYS 11 -3.392 -11.151 -23.454 83 HB3 LYS 11 3HB LYS 11 -2.343 -10.517 -22.192 84 HG2 LYS 11 2HG LYS 11 -2.226 -8.640 -23.362 85 HG3 LYS 11 3HG LYS 11 -1.272 -9.523 -24.556 86 HD2 LYS 11 2HD LYS 11 -3.054 -8.498 -25.739 87 HD3 LYS 11 3HD LYS 11 -3.455 -10.213 -25.617 88 HE2 LYS 11 2HE LYS 11 -5.075 -9.830 -23.967 89 HE3 LYS 11 3HE LYS 11 -4.457 -8.218 -23.611 90 HZ1 LYS 11 3HZ LYS 11 -5.387 -8.653 -26.328 91 HZ2 LYS 11 1HZ LYS 11 -5.584 -7.311 -25.316 92 HZ3 LYS 11 2HZ LYS 11 -6.583 -8.663 -25.133 93 H ASN 12 H ASN 12 -0.723 -13.326 -21.617 94 HA ASN 12 HA ASN 12 0.819 -13.285 -19.935 95 HB2 ASN 12 2HB ASN 12 2.114 -13.487 -22.361 96 HB3 ASN 12 3HB ASN 12 2.976 -12.169 -21.572 97 HD21 ASN 12 1HD2 ASN 12 4.661 -12.782 -20.446 98 HD22 ASN 12 2HD2 ASN 12 4.861 -14.300 -19.647 99 H GLU 13 H GLU 13 -0.743 -10.869 -20.250 100 HA GLU 13 HA GLU 13 1.159 -8.931 -19.106 101 HB2 GLU 13 2HB GLU 13 0.418 -8.182 -21.314 102 HB3 GLU 13 3HB GLU 13 -1.261 -8.344 -20.821 103 HG2 GLU 13 2HG GLU 13 -0.627 -6.665 -18.961 104 HG3 GLU 13 3HG GLU 13 0.761 -6.311 -19.988 105 H CYS 14 H CYS 14 0.606 -7.980 -17.215 106 HA CYS 14 HA CYS 14 -1.820 -8.969 -15.912 107 HB2 CYS 14 2HB CYS 14 0.631 -9.006 -14.936 108 HB3 CYS 14 3HB CYS 14 0.249 -7.347 -14.486 109 H LYS 15 H LYS 15 -2.939 -7.416 -14.417 110 HA LYS 15 HA LYS 15 -2.837 -4.626 -15.238 111 HB2 LYS 15 2HB LYS 15 -5.174 -4.491 -15.818 112 HB3 LYS 15 3HB LYS 15 -4.416 -5.729 -16.811 113 HG2 LYS 15 2HG LYS 15 -6.234 -6.912 -16.222 114 HG3 LYS 15 3HG LYS 15 -5.280 -7.250 -14.775 115 HD2 LYS 15 2HD LYS 15 -7.132 -6.505 -13.717 116 HD3 LYS 15 3HD LYS 15 -6.427 -4.922 -14.052 117 HE2 LYS 15 2HE LYS 15 -8.122 -6.117 -16.166 118 HE3 LYS 15 3HE LYS 15 -8.939 -5.569 -14.704 119 HZ1 LYS 15 3HZ LYS 15 -7.719 -4.030 -16.812 120 HZ2 LYS 15 1HZ LYS 15 -7.299 -3.507 -15.258 121 HZ3 LYS 15 2HZ LYS 15 -8.927 -3.591 -15.711 122 H TYR 16 H TYR 16 -3.082 -3.348 -13.525 123 HA TYR 16 HA TYR 16 -4.770 -4.189 -11.300 124 HB2 TYR 16 2HB TYR 16 -3.065 -3.831 -9.631 125 HB3 TYR 16 3HB TYR 16 -2.463 -5.000 -10.801 126 HD1 TYR 16 HD2 TYR 16 -0.684 -4.386 -12.370 127 HD2 TYR 16 HD1 TYR 16 -2.057 -1.651 -9.414 128 HE1 TYR 16 HE2 TYR 16 1.321 -3.006 -12.723 129 HE2 TYR 16 HE1 TYR 16 -0.056 -0.263 -9.760 130 HH TYR 16 HH TYR 16 1.615 0.075 -11.818 131 H LYS 17 H LYS 17 -5.072 -2.414 -9.703 132 HA LYS 17 HA LYS 17 -5.257 0.138 -11.124 133 HB2 LYS 17 2HB LYS 17 -6.653 -1.009 -8.720 134 HB3 LYS 17 3HB LYS 17 -6.708 0.715 -9.062 135 HG2 LYS 17 2HG LYS 17 -7.781 0.322 -11.171 136 HG3 LYS 17 3HG LYS 17 -7.585 -1.423 -10.992 137 HD2 LYS 17 2HD LYS 17 -9.001 -0.015 -8.808 138 HD3 LYS 17 3HD LYS 17 -9.844 -0.127 -10.355 139 HE2 LYS 17 2HE LYS 17 -9.594 -2.540 -10.344 140 HE3 LYS 17 3HE LYS 17 -8.664 -2.459 -8.849 141 HZ1 LYS 17 3HZ LYS 17 -11.271 -2.918 -8.911 142 HZ2 LYS 17 1HZ LYS 17 -11.299 -1.230 -8.793 143 HZ3 LYS 17 2HZ LYS 17 -10.506 -2.147 -7.614 144 H ASN 18 H ASN 18 -3.977 1.801 -10.656 145 HA ASN 18 HA ASN 18 -1.960 1.551 -8.634 146 HB2 ASN 18 2HB ASN 18 -0.979 3.452 -9.571 147 HB3 ASN 18 3HB ASN 18 -1.795 2.717 -10.948 148 HD21 ASN 18 1HD2 ASN 18 -4.061 3.517 -11.312 149 HD22 ASN 18 2HD2 ASN 18 -4.326 5.214 -11.127 150 H ASP 19 H ASP 19 -1.596 3.987 -7.558 151 HA ASP 19 HA ASP 19 -3.314 4.043 -5.373 152 HB2 ASP 19 2HB ASP 19 -2.246 6.102 -4.744 153 HB3 ASP 19 3HB ASP 19 -1.028 5.066 -5.483 154 H ALA 20 H ALA 20 -3.451 5.813 -8.411 155 HA ALA 20 HA ALA 20 -5.569 7.554 -7.642 156 HB1 ALA 20 1HB ALA 20 -5.144 8.536 -9.593 157 HB2 ALA 20 2HB ALA 20 -3.845 7.360 -9.803 158 HB3 ALA 20 3HB ALA 20 -5.439 7.045 -10.489 159 H GLY 21 H GLY 21 -5.495 4.262 -8.287 160 HA2 GLY 21 2HA GLY 21 -7.283 2.774 -8.193 161 HA3 GLY 21 3HA GLY 21 -8.388 4.137 -8.301 162 H LYS 22 H LYS 22 -6.309 4.702 -10.711 163 HA LYS 22 HA LYS 22 -8.147 3.888 -12.733 164 HB2 LYS 22 2HB LYS 22 -5.318 4.919 -13.015 165 HB3 LYS 22 3HB LYS 22 -6.510 4.816 -14.305 166 HG2 LYS 22 2HG LYS 22 -7.775 6.561 -13.450 167 HG3 LYS 22 3HG LYS 22 -7.072 6.411 -11.838 168 HD2 LYS 22 2HD LYS 22 -4.962 7.281 -12.636 169 HD3 LYS 22 3HD LYS 22 -5.571 7.324 -14.292 170 HE2 LYS 22 2HE LYS 22 -7.454 8.774 -12.927 171 HE3 LYS 22 3HE LYS 22 -5.964 9.206 -12.089 172 HZ1 LYS 22 3HZ LYS 22 -6.605 9.549 -14.958 173 HZ2 LYS 22 1HZ LYS 22 -5.021 9.643 -14.372 174 HZ3 LYS 22 2HZ LYS 22 -6.190 10.739 -13.830 175 H ASP 23 H ASP 23 -8.114 2.169 -14.077 176 HA ASP 23 HA ASP 23 -6.583 -0.112 -13.364 177 HB2 ASP 23 2HB ASP 23 -8.345 0.464 -15.751 178 HB3 ASP 23 3HB ASP 23 -7.601 -1.103 -15.447 179 H THR 24 H THR 24 -4.580 -0.615 -13.924 180 HA THR 24 HA THR 24 -3.487 0.503 -16.422 181 HB THR 24 HB THR 24 -1.790 -0.015 -13.988 182 HG1 THR 24 HG1 THR 24 -2.877 2.506 -14.746 183 HG21 THR 24 3HG2 THR 24 -0.973 2.130 -15.725 184 HG22 THR 24 1HG2 THR 24 -1.228 0.653 -16.655 185 HG23 THR 24 2HG2 THR 24 -0.109 0.655 -15.291 186 H PHE 25 H PHE 25 -2.551 -0.909 -17.773 187 HA PHE 25 HA PHE 25 -2.174 -3.666 -16.811 188 HB2 PHE 25 2HB PHE 25 -2.374 -4.231 -19.303 189 HB3 PHE 25 3HB PHE 25 -3.844 -3.730 -18.473 190 HD1 PHE 25 HD2 PHE 25 -1.268 -2.741 -20.889 191 HD2 PHE 25 HD1 PHE 25 -4.937 -1.672 -19.016 192 HE1 PHE 25 HE2 PHE 25 -1.604 -0.971 -22.565 193 HE2 PHE 25 HE1 PHE 25 -5.280 0.099 -20.689 194 HZ PHE 25 HZ PHE 25 -3.611 0.452 -22.466 195 H ILE 26 H ILE 26 -0.190 -4.499 -16.835 196 HA ILE 26 HA ILE 26 1.849 -3.241 -18.544 197 HB ILE 26 HB ILE 26 2.113 -2.490 -16.191 198 HG12 ILE 26 2HG1 ILE 26 4.465 -4.237 -16.573 199 HG13 ILE 26 3HG1 ILE 26 4.030 -3.244 -17.960 200 HG21 ILE 26 1HG2 ILE 26 2.851 -4.081 -14.495 201 HG22 ILE 26 2HG2 ILE 26 1.244 -4.491 -15.092 202 HG23 ILE 26 3HG2 ILE 26 2.648 -5.406 -15.640 203 HD11 ILE 26 3HD1 ILE 26 5.586 -2.480 -15.828 204 HD12 ILE 26 1HD1 ILE 26 4.833 -1.407 -17.007 205 HD13 ILE 26 2HD1 ILE 26 4.022 -1.745 -15.478 206 H LYS 27 H LYS 27 3.542 -4.600 -19.241 207 HA LYS 27 HA LYS 27 2.757 -7.310 -19.684 208 HB2 LYS 27 2HB LYS 27 5.338 -5.860 -20.296 209 HB3 LYS 27 3HB LYS 27 4.960 -7.490 -20.839 210 HG2 LYS 27 2HG LYS 27 4.363 -6.313 -22.690 211 HG3 LYS 27 3HG LYS 27 2.825 -6.300 -21.823 212 HD2 LYS 27 2HD LYS 27 3.372 -4.082 -22.692 213 HD3 LYS 27 3HD LYS 27 3.343 -4.087 -20.927 214 HE2 LYS 27 2HE LYS 27 5.267 -2.856 -22.054 215 HE3 LYS 27 3HE LYS 27 5.683 -4.001 -20.779 216 HZ1 LYS 27 3HZ LYS 27 5.658 -4.860 -23.598 217 HZ2 LYS 27 1HZ LYS 27 6.511 -5.515 -22.292 218 HZ3 LYS 27 2HZ LYS 27 7.000 -4.045 -22.969 219 H CYS 28 H CYS 28 3.752 -9.206 -18.966 220 HA CYS 28 HA CYS 28 5.147 -8.921 -16.401 221 HB2 CYS 28 2HB CYS 28 3.256 -10.881 -17.534 222 HB3 CYS 28 3HB CYS 28 4.571 -11.577 -16.593 223 HA PRO 29 HA PRO 29 8.953 -10.554 -17.846 224 HB2 PRO 29 2HB PRO 29 9.694 -12.224 -15.839 225 HB3 PRO 29 3HB PRO 29 9.715 -10.464 -15.680 226 HG2 PRO 29 2HG PRO 29 7.661 -12.426 -14.737 227 HG3 PRO 29 3HG PRO 29 8.328 -11.015 -13.897 228 HD2 PRO 29 2HD PRO 29 5.916 -10.972 -15.126 229 HD3 PRO 29 3HD PRO 29 6.960 -9.540 -15.022 230 H LYS 30 H LYS 30 9.560 -12.079 -19.258 231 HA LYS 30 HA LYS 30 7.913 -14.452 -19.553 232 HB2 LYS 30 2HB LYS 30 9.900 -13.005 -21.231 233 HB3 LYS 30 3HB LYS 30 9.693 -14.727 -21.526 234 HG2 LYS 30 2HG LYS 30 7.367 -14.431 -22.007 235 HG3 LYS 30 3HG LYS 30 7.436 -12.736 -21.519 236 HD2 LYS 30 2HD LYS 30 9.018 -12.299 -23.361 237 HD3 LYS 30 3HD LYS 30 8.867 -13.984 -23.866 238 HE2 LYS 30 2HE LYS 30 6.488 -13.662 -24.274 239 HE3 LYS 30 3HE LYS 30 6.604 -11.993 -23.719 240 HZ1 LYS 30 3HZ LYS 30 6.763 -12.679 -26.268 241 HZ2 LYS 30 1HZ LYS 30 8.405 -12.773 -25.868 242 HZ3 LYS 30 2HZ LYS 30 7.559 -11.327 -25.635 243 H PHE 31 H PHE 31 10.242 -13.846 -17.505 244 HA PHE 31 HA PHE 31 12.087 -15.988 -17.994 245 HB2 PHE 31 2HB PHE 31 11.603 -14.185 -15.624 246 HB3 PHE 31 3HB PHE 31 12.818 -15.460 -15.613 247 HD1 PHE 31 HD2 PHE 31 14.664 -15.375 -17.332 248 HD2 PHE 31 HD1 PHE 31 12.046 -12.103 -16.586 249 HE1 PHE 31 HE2 PHE 31 16.275 -13.849 -18.394 250 HE2 PHE 31 HE1 PHE 31 13.653 -10.572 -17.647 251 HZ PHE 31 HZ PHE 31 15.771 -11.443 -18.552 252 H ASP 32 H ASP 32 12.285 -17.929 -16.849 253 HA ASP 32 HA ASP 32 9.876 -19.261 -16.265 254 HB2 ASP 32 2HB ASP 32 12.773 -19.936 -15.809 255 HB3 ASP 32 3HB ASP 32 11.490 -21.004 -15.246 256 H ASN 33 H ASN 33 11.848 -17.222 -14.364 257 HA ASN 33 HA ASN 33 11.262 -18.287 -11.798 258 HB2 ASN 33 2HB ASN 33 12.282 -15.636 -12.784 259 HB3 ASN 33 3HB ASN 33 11.886 -15.870 -11.084 260 HD21 ASN 33 1HD2 ASN 33 14.299 -16.006 -13.312 261 HD22 ASN 33 2HD2 ASN 33 15.399 -17.046 -12.480 262 H LYS 34 H LYS 34 9.643 -16.031 -13.926 263 HA LYS 34 HA LYS 34 7.225 -16.247 -12.371 264 HB2 LYS 34 2HB LYS 34 8.803 -13.701 -12.499 265 HB3 LYS 34 3HB LYS 34 7.048 -13.639 -12.409 266 HG2 LYS 34 2HG LYS 34 7.346 -13.670 -10.201 267 HG3 LYS 34 3HG LYS 34 7.658 -15.395 -10.408 268 HD2 LYS 34 2HD LYS 34 9.480 -14.622 -9.157 269 HD3 LYS 34 3HD LYS 34 10.095 -14.715 -10.809 270 HE2 LYS 34 2HE LYS 34 10.289 -12.465 -11.005 271 HE3 LYS 34 3HE LYS 34 8.876 -12.148 -10.000 272 HZ1 LYS 34 3HZ LYS 34 10.500 -13.109 -8.167 273 HZ2 LYS 34 1HZ LYS 34 10.483 -11.469 -8.582 274 HZ3 LYS 34 2HZ LYS 34 11.666 -12.492 -9.226 275 H LYS 35 H LYS 35 5.591 -16.405 -13.752 276 HA LYS 35 HA LYS 35 5.295 -14.703 -16.020 277 HB2 LYS 35 2HB LYS 35 5.474 -16.338 -17.781 278 HB3 LYS 35 3HB LYS 35 6.983 -16.319 -16.877 279 HG2 LYS 35 2HG LYS 35 6.591 -18.388 -15.923 280 HG3 LYS 35 3HG LYS 35 4.849 -18.296 -16.195 281 HD2 LYS 35 2HD LYS 35 5.100 -19.436 -18.086 282 HD3 LYS 35 3HD LYS 35 6.115 -18.141 -18.723 283 HE2 LYS 35 2HE LYS 35 7.590 -19.874 -18.862 284 HE3 LYS 35 3HE LYS 35 7.941 -19.330 -17.222 285 HZ1 LYS 35 3HZ LYS 35 6.525 -21.046 -16.351 286 HZ2 LYS 35 1HZ LYS 35 7.662 -21.749 -17.388 287 HZ3 LYS 35 2HZ LYS 35 6.068 -21.529 -17.907 288 H CYS 36 H CYS 36 3.427 -15.689 -17.477 289 HA CYS 36 HA CYS 36 1.307 -16.434 -15.597 290 HB2 CYS 36 2HB CYS 36 1.431 -14.560 -17.675 291 HB3 CYS 36 3HB CYS 36 0.398 -15.850 -18.284 292 H THR 37 H THR 37 0.701 -18.482 -15.494 293 HA THR 37 HA THR 37 1.310 -20.279 -17.721 294 HB THR 37 HB THR 37 0.562 -22.061 -16.030 295 HG1 THR 37 HG1 THR 37 1.045 -19.968 -14.167 296 HG21 THR 37 3HG2 THR 37 2.991 -20.363 -15.447 297 HG22 THR 37 1HG2 THR 37 2.901 -21.694 -16.599 298 HG23 THR 37 2HG2 THR 37 2.737 -22.010 -14.872 299 H LYS 38 H LYS 38 -1.378 -18.938 -15.932 300 HA LYS 38 HA LYS 38 -3.206 -20.079 -17.921 301 HB2 LYS 38 2HB LYS 38 -3.073 -21.085 -15.372 302 HB3 LYS 38 3HB LYS 38 -4.350 -19.885 -15.224 303 HG2 LYS 38 2HG LYS 38 -5.725 -21.460 -15.974 304 HG3 LYS 38 3HG LYS 38 -4.989 -21.202 -17.558 305 HD2 LYS 38 2HD LYS 38 -3.274 -22.923 -16.938 306 HD3 LYS 38 3HD LYS 38 -4.228 -23.263 -15.492 307 HE2 LYS 38 2HE LYS 38 -5.979 -24.168 -16.704 308 HE3 LYS 38 3HE LYS 38 -5.528 -23.321 -18.183 309 HZ1 LYS 38 3HZ LYS 38 -4.738 -25.343 -18.728 310 HZ2 LYS 38 1HZ LYS 38 -4.557 -25.846 -17.123 311 HZ3 LYS 38 2HZ LYS 38 -3.389 -24.851 -17.834 312 H ASP 39 H ASP 39 -5.077 -18.848 -18.320 313 HA ASP 39 HA ASP 39 -4.741 -16.055 -18.129 314 HB2 ASP 39 2HB ASP 39 -7.109 -15.972 -18.985 315 HB3 ASP 39 3HB ASP 39 -6.004 -16.936 -19.961 316 H ASN 40 H ASN 40 -6.183 -14.516 -17.092 317 HA ASN 40 HA ASN 40 -7.222 -13.615 -15.280 318 HB2 ASN 40 2HB ASN 40 -8.818 -15.633 -15.941 319 HB3 ASN 40 3HB ASN 40 -8.270 -16.264 -14.391 320 HD21 ASN 40 1HD2 ASN 40 -8.643 -14.985 -12.500 321 HD22 ASN 40 2HD2 ASN 40 -9.972 -13.883 -12.450 322 H ASN 41 H ASN 41 -4.585 -15.211 -15.138 323 HA ASN 41 HA ASN 41 -4.284 -16.291 -12.577 324 HB2 ASN 41 2HB ASN 41 -2.613 -15.722 -14.793 325 HB3 ASN 41 3HB ASN 41 -1.857 -14.990 -13.381 326 HD21 ASN 41 1HD2 ASN 41 -1.009 -17.269 -14.979 327 HD22 ASN 41 2HD2 ASN 41 -0.879 -18.601 -13.886 328 H LYS 42 H LYS 42 -2.287 -15.052 -11.253 329 HA LYS 42 HA LYS 42 -3.271 -12.347 -10.659 330 HB2 LYS 42 2HB LYS 42 -3.637 -14.598 -9.014 331 HB3 LYS 42 3HB LYS 42 -2.344 -13.669 -8.267 332 HG2 LYS 42 2HG LYS 42 -4.314 -12.876 -7.288 333 HG3 LYS 42 3HG LYS 42 -3.875 -11.653 -8.482 334 HD2 LYS 42 2HD LYS 42 -6.238 -12.063 -8.635 335 HD3 LYS 42 3HD LYS 42 -5.459 -12.726 -10.074 336 HE2 LYS 42 2HE LYS 42 -5.944 -14.865 -9.512 337 HE3 LYS 42 3HE LYS 42 -5.755 -14.567 -7.785 338 HZ1 LYS 42 3HZ LYS 42 -8.062 -13.480 -9.272 339 HZ2 LYS 42 1HZ LYS 42 -7.908 -13.756 -7.610 340 HZ3 LYS 42 2HZ LYS 42 -8.081 -15.061 -8.672 341 H CYS 43 H CYS 43 -1.735 -10.901 -9.834 342 HA CYS 43 HA CYS 43 1.030 -11.826 -9.629 343 HB2 CYS 43 2HB CYS 43 1.886 -10.225 -11.180 344 HB3 CYS 43 3HB CYS 43 0.585 -11.083 -11.999 345 H THR 44 H THR 44 2.443 -9.748 -9.103 346 HA THR 44 HA THR 44 0.976 -7.994 -7.266 347 HB THR 44 HB THR 44 3.192 -8.335 -5.795 348 HG1 THR 44 HG1 THR 44 2.779 -10.776 -7.194 349 HG21 THR 44 3HG2 THR 44 1.614 -8.906 -4.331 350 HG22 THR 44 1HG2 THR 44 1.465 -10.494 -5.083 351 HG23 THR 44 2HG2 THR 44 0.482 -9.148 -5.661 352 H VAL 45 H VAL 45 1.786 -5.945 -7.079 353 HA VAL 45 HA VAL 45 4.331 -5.336 -8.408 354 HB VAL 45 HB VAL 45 1.755 -3.833 -8.896 355 HG11 VAL 45 1HG1 VAL 45 3.155 -2.101 -9.174 356 HG12 VAL 45 2HG1 VAL 45 4.578 -3.139 -9.286 357 HG13 VAL 45 3HG1 VAL 45 3.555 -2.887 -10.701 358 HG21 VAL 45 3HG2 VAL 45 1.533 -5.596 -10.328 359 HG22 VAL 45 1HG2 VAL 45 2.527 -4.540 -11.331 360 HG23 VAL 45 2HG2 VAL 45 3.272 -5.868 -10.441 361 H ASP 46 H ASP 46 5.589 -4.125 -7.164 362 HA ASP 46 HA ASP 46 4.351 -2.629 -4.954 363 HB2 ASP 46 2HB ASP 46 6.619 -4.382 -5.088 364 HB3 ASP 46 3HB ASP 46 7.154 -2.780 -4.587 365 H THR 47 H THR 47 4.532 -0.477 -4.854 366 HA THR 47 HA THR 47 5.826 0.902 -7.050 367 HB THR 47 HB THR 47 4.779 2.698 -5.060 368 HG1 THR 47 HG1 THR 47 3.292 1.310 -4.344 369 HG21 THR 47 3HG2 THR 47 5.006 3.237 -7.422 370 HG22 THR 47 1HG2 THR 47 3.319 3.371 -6.930 371 HG23 THR 47 2HG2 THR 47 3.862 1.964 -7.843 372 H TYR 48 H TYR 48 6.555 0.050 -3.828 373 HA TYR 48 HA TYR 48 8.411 2.223 -3.374 374 HB2 TYR 48 2HB TYR 48 7.007 0.540 -1.706 375 HB3 TYR 48 3HB TYR 48 8.640 -0.110 -1.617 376 HD1 TYR 48 HD2 TYR 48 10.500 1.336 -0.824 377 HD2 TYR 48 HD1 TYR 48 6.446 2.620 -0.687 378 HE1 TYR 48 HE2 TYR 48 11.119 3.102 0.772 379 HE2 TYR 48 HE1 TYR 48 7.054 4.390 0.909 380 HH TYR 48 HH TYR 48 10.104 4.497 2.460 381 H ASN 49 H ASN 49 8.543 -1.219 -4.161 382 HA ASN 49 HA ASN 49 11.456 -1.022 -4.469 383 HB2 ASN 49 2HB ASN 49 9.599 -3.382 -4.177 384 HB3 ASN 49 3HB ASN 49 11.284 -3.560 -4.659 385 HD21 ASN 49 1HD2 ASN 49 11.990 -4.627 -2.881 386 HD22 ASN 49 2HD2 ASN 49 12.036 -3.935 -1.299 387 H ASN 50 H ASN 50 8.687 -0.782 -6.272 388 HA ASN 50 HA ASN 50 8.179 -0.930 -8.488 389 HB2 ASN 50 2HB ASN 50 11.166 -0.496 -8.701 390 HB3 ASN 50 3HB ASN 50 10.033 -0.337 -10.040 391 HD21 ASN 50 1HD2 ASN 50 7.974 1.010 -9.082 392 HD22 ASN 50 2HD2 ASN 50 8.448 2.559 -8.482 393 H ALA 51 H ALA 51 8.812 -3.420 -7.076 394 HA ALA 51 HA ALA 51 9.891 -5.051 -9.272 395 HB1 ALA 51 1HB ALA 51 10.071 -6.838 -7.520 396 HB2 ALA 51 2HB ALA 51 11.094 -5.426 -7.255 397 HB3 ALA 51 3HB ALA 51 9.606 -5.622 -6.330 398 H VAL 52 H VAL 52 8.625 -6.435 -10.352 399 HA VAL 52 HA VAL 52 5.865 -6.805 -9.384 400 HB VAL 52 HB VAL 52 5.118 -7.001 -11.640 401 HG11 VAL 52 1HG1 VAL 52 5.329 -4.811 -12.321 402 HG12 VAL 52 2HG1 VAL 52 5.813 -4.694 -10.627 403 HG13 VAL 52 3HG1 VAL 52 7.039 -4.731 -11.895 404 HG21 VAL 52 3HG2 VAL 52 6.751 -8.240 -12.751 405 HG22 VAL 52 1HG2 VAL 52 6.850 -6.652 -13.512 406 HG23 VAL 52 2HG2 VAL 52 8.040 -7.124 -12.300 407 H ASP 53 H ASP 53 4.946 -8.837 -9.429 408 HA ASP 53 HA ASP 53 6.655 -11.077 -10.255 409 HB2 ASP 53 2HB ASP 53 5.948 -10.386 -7.552 410 HB3 ASP 53 3HB ASP 53 5.242 -11.944 -7.972 411 H CYS 54 H CYS 54 5.600 -12.367 -11.599 412 HA CYS 54 HA CYS 54 2.668 -12.286 -11.631 413 HB2 CYS 54 2HB CYS 54 4.659 -12.320 -13.673 414 HB3 CYS 54 3HB CYS 54 3.707 -13.795 -13.814 415 H ASP 55 H ASP 55 1.430 -14.178 -11.652 416 HA ASP 55 HA ASP 55 2.269 -16.234 -9.956 417 HB2 ASP 55 2HB ASP 55 -0.062 -15.886 -10.153 418 HB3 ASP 55 3HB ASP 55 -0.015 -16.020 -11.909 Start of MODEL 12 1 H1 ALA 1 H ALA 1 1.841 -0.744 1.212 2 HA ALA 1 HA ALA 1 0.778 0.491 -1.088 3 HB1 ALA 1 1HB ALA 1 3.695 -0.086 -0.865 4 HB2 ALA 1 2HB ALA 1 2.874 1.372 -1.423 5 HB3 ALA 1 3HB ALA 1 2.936 0.999 0.299 6 H LYS 2 H LYS 2 0.209 -2.330 -1.060 7 HA LYS 2 HA LYS 2 1.733 -3.264 -3.398 8 HB2 LYS 2 2HB LYS 2 0.305 -4.705 -1.188 9 HB3 LYS 2 3HB LYS 2 0.575 -5.504 -2.731 10 HG2 LYS 2 2HG LYS 2 3.055 -4.586 -2.241 11 HG3 LYS 2 3HG LYS 2 2.475 -4.820 -0.590 12 HD2 LYS 2 2HD LYS 2 1.974 -7.124 -1.028 13 HD3 LYS 2 3HD LYS 2 2.316 -6.921 -2.748 14 HE2 LYS 2 2HE LYS 2 4.477 -7.323 -2.417 15 HE3 LYS 2 3HE LYS 2 4.567 -6.062 -1.189 16 HZ1 LYS 2 3HZ LYS 2 3.389 -8.654 -0.476 17 HZ2 LYS 2 1HZ LYS 2 4.222 -7.548 0.496 18 HZ3 LYS 2 2HZ LYS 2 5.073 -8.528 -0.588 19 H TYR 3 H TYR 3 0.665 -4.008 -5.224 20 HA TYR 3 HA TYR 3 -2.207 -3.356 -5.353 21 HB2 TYR 3 2HB TYR 3 -0.152 -3.147 -7.564 22 HB3 TYR 3 3HB TYR 3 -1.867 -2.782 -7.719 23 HD1 TYR 3 HD2 TYR 3 -2.802 -0.909 -6.214 24 HD2 TYR 3 HD1 TYR 3 1.351 -1.477 -6.940 25 HE1 TYR 3 HE2 TYR 3 -2.372 1.416 -5.537 26 HE2 TYR 3 HE1 TYR 3 1.794 0.846 -6.264 27 HH TYR 3 HH TYR 3 0.704 2.590 -4.849 28 H THR 4 H THR 4 -3.566 -4.885 -6.068 29 HA THR 4 HA THR 4 -2.411 -7.469 -6.835 30 HB THR 4 HB THR 4 -5.290 -7.485 -6.478 31 HG1 THR 4 HG1 THR 4 -5.222 -5.997 -4.920 32 HG21 THR 4 3HG2 THR 4 -3.247 -9.253 -6.231 33 HG22 THR 4 1HG2 THR 4 -4.850 -9.489 -5.536 34 HG23 THR 4 2HG2 THR 4 -3.543 -8.849 -4.540 35 H GLY 5 H GLY 5 -2.453 -8.099 -8.888 36 HA2 GLY 5 2HA GLY 5 -4.619 -7.113 -10.623 37 HA3 GLY 5 3HA GLY 5 -2.947 -6.976 -11.146 38 H LYS 6 H LYS 6 -4.901 -8.352 -12.601 39 HA LYS 6 HA LYS 6 -4.032 -11.149 -12.271 40 HB2 LYS 6 2HB LYS 6 -6.574 -10.181 -13.588 41 HB3 LYS 6 3HB LYS 6 -6.118 -11.851 -13.282 42 HG2 LYS 6 2HG LYS 6 -7.323 -11.684 -11.423 43 HG3 LYS 6 3HG LYS 6 -5.997 -10.709 -10.784 44 HD2 LYS 6 2HD LYS 6 -7.928 -9.419 -10.425 45 HD3 LYS 6 3HD LYS 6 -7.170 -8.713 -11.855 46 HE2 LYS 6 2HE LYS 6 -8.902 -10.769 -12.738 47 HE3 LYS 6 3HE LYS 6 -9.792 -9.803 -11.562 48 HZ1 LYS 6 3HZ LYS 6 -9.191 -9.176 -14.226 49 HZ2 LYS 6 1HZ LYS 6 -8.398 -8.056 -13.237 50 HZ3 LYS 6 2HZ LYS 6 -10.072 -8.263 -13.107 51 H CYS 7 H CYS 7 -3.343 -12.282 -14.066 52 HA CYS 7 HA CYS 7 -3.083 -10.746 -16.565 53 HB2 CYS 7 2HB CYS 7 -0.842 -11.306 -16.820 54 HB3 CYS 7 3HB CYS 7 -0.954 -11.031 -15.084 55 H THR 8 H THR 8 -2.581 -12.180 -18.462 56 HA THR 8 HA THR 8 -4.055 -14.721 -18.208 57 HB THR 8 HB THR 8 -4.052 -14.025 -20.917 58 HG1 THR 8 HG1 THR 8 -4.837 -11.784 -19.340 59 HG21 THR 8 3HG2 THR 8 -6.517 -13.498 -20.381 60 HG22 THR 8 1HG2 THR 8 -6.104 -13.945 -18.726 61 HG23 THR 8 2HG2 THR 8 -5.919 -15.119 -20.029 62 H LYS 9 H LYS 9 -3.343 -16.506 -19.438 63 HA LYS 9 HA LYS 9 -0.491 -16.648 -19.728 64 HB2 LYS 9 2HB LYS 9 -0.784 -18.964 -20.069 65 HB3 LYS 9 3HB LYS 9 -2.027 -18.510 -18.909 66 HG2 LYS 9 2HG LYS 9 -3.705 -18.513 -20.641 67 HG3 LYS 9 3HG LYS 9 -2.478 -18.835 -21.869 68 HD2 LYS 9 2HD LYS 9 -3.161 -20.662 -19.566 69 HD3 LYS 9 3HD LYS 9 -3.723 -20.863 -21.227 70 HE2 LYS 9 2HE LYS 9 -0.870 -20.948 -20.255 71 HE3 LYS 9 3HE LYS 9 -1.830 -22.308 -20.835 72 HZ1 LYS 9 3HZ LYS 9 -0.850 -21.853 -22.779 73 HZ2 LYS 9 1HZ LYS 9 -0.416 -20.281 -22.327 74 HZ3 LYS 9 2HZ LYS 9 -1.976 -20.595 -22.899 75 H SER 10 H SER 10 -3.163 -16.038 -21.815 76 HA SER 10 HA SER 10 -1.763 -16.727 -24.245 77 HB2 SER 10 2HB SER 10 -4.475 -16.013 -23.496 78 HB3 SER 10 3HB SER 10 -3.952 -15.127 -24.928 79 HG SER 10 HG SER 10 -4.630 -17.725 -24.686 80 H LYS 11 H LYS 11 -2.799 -13.741 -22.627 81 HA LYS 11 HA LYS 11 -1.328 -12.126 -24.548 82 HB2 LYS 11 2HB LYS 11 -3.641 -11.589 -23.446 83 HB3 LYS 11 3HB LYS 11 -2.660 -11.021 -22.101 84 HG2 LYS 11 2HG LYS 11 -1.659 -9.338 -23.406 85 HG3 LYS 11 3HG LYS 11 -2.245 -10.049 -24.911 86 HD2 LYS 11 2HD LYS 11 -4.542 -9.517 -24.278 87 HD3 LYS 11 3HD LYS 11 -3.973 -8.837 -22.752 88 HE2 LYS 11 2HE LYS 11 -3.287 -6.920 -23.717 89 HE3 LYS 11 3HE LYS 11 -2.693 -7.741 -25.160 90 HZ1 LYS 11 3HZ LYS 11 -4.841 -6.189 -25.149 91 HZ2 LYS 11 1HZ LYS 11 -5.579 -7.676 -24.821 92 HZ3 LYS 11 2HZ LYS 11 -4.648 -7.484 -26.220 93 H ASN 12 H ASN 12 -0.782 -13.638 -21.567 94 HA ASN 12 HA ASN 12 0.840 -13.478 -19.969 95 HB2 ASN 12 2HB ASN 12 2.031 -13.475 -22.536 96 HB3 ASN 12 3HB ASN 12 2.942 -12.330 -21.556 97 HD21 ASN 12 1HD2 ASN 12 4.444 -13.103 -20.248 98 HD22 ASN 12 2HD2 ASN 12 4.631 -14.760 -19.798 99 H GLU 13 H GLU 13 -0.863 -11.161 -20.239 100 HA GLU 13 HA GLU 13 0.984 -9.108 -19.215 101 HB2 GLU 13 2HB GLU 13 0.145 -8.451 -21.424 102 HB3 GLU 13 3HB GLU 13 -1.509 -8.653 -20.864 103 HG2 GLU 13 2HG GLU 13 -0.724 -6.915 -19.038 104 HG3 GLU 13 3HG GLU 13 0.441 -6.494 -20.293 105 H CYS 14 H CYS 14 0.437 -8.133 -17.333 106 HA CYS 14 HA CYS 14 -1.919 -9.188 -15.952 107 HB2 CYS 14 2HB CYS 14 0.527 -9.176 -15.017 108 HB3 CYS 14 3HB CYS 14 0.173 -7.495 -14.630 109 H LYS 15 H LYS 15 -3.127 -7.691 -14.527 110 HA LYS 15 HA LYS 15 -3.118 -4.901 -15.394 111 HB2 LYS 15 2HB LYS 15 -4.735 -5.768 -16.888 112 HB3 LYS 15 3HB LYS 15 -5.446 -6.794 -15.649 113 HG2 LYS 15 2HG LYS 15 -6.927 -4.970 -16.073 114 HG3 LYS 15 3HG LYS 15 -6.217 -4.750 -14.473 115 HD2 LYS 15 2HD LYS 15 -5.457 -2.749 -15.072 116 HD3 LYS 15 3HD LYS 15 -4.538 -3.478 -16.391 117 HE2 LYS 15 2HE LYS 15 -7.400 -2.534 -16.477 118 HE3 LYS 15 3HE LYS 15 -6.017 -1.792 -17.278 119 HZ1 LYS 15 3HZ LYS 15 -5.921 -4.304 -18.218 120 HZ2 LYS 15 1HZ LYS 15 -6.679 -3.017 -19.012 121 HZ3 LYS 15 2HZ LYS 15 -7.591 -4.081 -18.065 122 H TYR 16 H TYR 16 -3.172 -3.640 -13.663 123 HA TYR 16 HA TYR 16 -4.718 -4.493 -11.319 124 HB2 TYR 16 2HB TYR 16 -2.846 -3.566 -9.880 125 HB3 TYR 16 3HB TYR 16 -2.503 -5.088 -10.695 126 HD1 TYR 16 HD2 TYR 16 -0.889 -5.189 -12.516 127 HD2 TYR 16 HD1 TYR 16 -1.704 -1.522 -10.517 128 HE1 TYR 16 HE2 TYR 16 1.137 -4.207 -13.504 129 HE2 TYR 16 HE1 TYR 16 0.320 -0.529 -11.501 130 HH TYR 16 HH TYR 16 2.641 -1.620 -12.428 131 H LYS 17 H LYS 17 -5.111 -2.689 -9.786 132 HA LYS 17 HA LYS 17 -5.510 -0.187 -11.277 133 HB2 LYS 17 2HB LYS 17 -7.092 -1.662 -9.281 134 HB3 LYS 17 3HB LYS 17 -7.027 0.077 -9.021 135 HG2 LYS 17 2HG LYS 17 -8.086 0.546 -11.032 136 HG3 LYS 17 3HG LYS 17 -7.707 -1.038 -11.712 137 HD2 LYS 17 2HD LYS 17 -9.355 -1.061 -9.269 138 HD3 LYS 17 3HD LYS 17 -10.120 -0.364 -10.699 139 HE2 LYS 17 2HE LYS 17 -10.592 -2.441 -11.344 140 HE3 LYS 17 3HE LYS 17 -8.866 -2.671 -11.619 141 HZ1 LYS 17 3HZ LYS 17 -8.806 -3.245 -9.138 142 HZ2 LYS 17 1HZ LYS 17 -9.432 -4.397 -10.207 143 HZ3 LYS 17 2HZ LYS 17 -10.479 -3.450 -9.277 144 H ASN 18 H ASN 18 -4.508 1.628 -10.669 145 HA ASN 18 HA ASN 18 -2.579 1.527 -8.541 146 HB2 ASN 18 2HB ASN 18 -2.067 3.865 -9.242 147 HB3 ASN 18 3HB ASN 18 -2.002 2.710 -10.571 148 HD21 ASN 18 1HD2 ASN 18 -2.312 4.343 -12.085 149 HD22 ASN 18 2HD2 ASN 18 -3.853 5.089 -12.323 150 H ASP 19 H ASP 19 -2.437 3.570 -7.088 151 HA ASP 19 HA ASP 19 -4.563 3.505 -5.279 152 HB2 ASP 19 2HB ASP 19 -2.312 4.191 -4.625 153 HB3 ASP 19 3HB ASP 19 -2.436 5.627 -5.638 154 H ALA 20 H ALA 20 -4.131 5.334 -8.163 155 HA ALA 20 HA ALA 20 -5.982 7.427 -7.516 156 HB1 ALA 20 1HB ALA 20 -5.224 6.667 -10.312 157 HB2 ALA 20 2HB ALA 20 -5.587 8.261 -9.649 158 HB3 ALA 20 3HB ALA 20 -4.068 7.462 -9.243 159 H GLY 21 H GLY 21 -6.364 4.188 -8.262 160 HA2 GLY 21 2HA GLY 21 -8.435 3.077 -8.326 161 HA3 GLY 21 3HA GLY 21 -9.212 4.596 -8.748 162 H LYS 22 H LYS 22 -6.920 4.867 -10.814 163 HA LYS 22 HA LYS 22 -8.418 3.949 -13.033 164 HB2 LYS 22 2HB LYS 22 -5.781 5.247 -12.616 165 HB3 LYS 22 3HB LYS 22 -6.013 4.397 -14.138 166 HG2 LYS 22 2HG LYS 22 -8.322 5.875 -13.885 167 HG3 LYS 22 3HG LYS 22 -7.073 6.948 -13.247 168 HD2 LYS 22 2HD LYS 22 -6.399 5.527 -15.743 169 HD3 LYS 22 3HD LYS 22 -7.679 6.737 -15.867 170 HE2 LYS 22 2HE LYS 22 -6.048 8.245 -16.061 171 HE3 LYS 22 3HE LYS 22 -5.751 7.991 -14.342 172 HZ1 LYS 22 3HZ LYS 22 -3.987 6.579 -14.773 173 HZ2 LYS 22 1HZ LYS 22 -3.806 7.756 -15.974 174 HZ3 LYS 22 2HZ LYS 22 -4.480 6.253 -16.358 175 H ASP 23 H ASP 23 -7.890 2.336 -14.572 176 HA ASP 23 HA ASP 23 -6.566 0.020 -13.374 177 HB2 ASP 23 2HB ASP 23 -8.127 0.061 -15.954 178 HB3 ASP 23 3HB ASP 23 -7.753 -1.324 -14.933 179 H THR 24 H THR 24 -4.554 -0.474 -13.906 180 HA THR 24 HA THR 24 -3.522 0.436 -16.514 181 HB THR 24 HB THR 24 -1.718 -0.083 -14.173 182 HG1 THR 24 HG1 THR 24 -2.166 1.833 -13.317 183 HG21 THR 24 3HG2 THR 24 -1.421 1.963 -16.352 184 HG22 THR 24 1HG2 THR 24 -0.954 0.282 -16.601 185 HG23 THR 24 2HG2 THR 24 -0.173 1.237 -15.340 186 H PHE 25 H PHE 25 -2.560 -1.028 -17.811 187 HA PHE 25 HA PHE 25 -2.222 -3.756 -16.748 188 HB2 PHE 25 2HB PHE 25 -2.650 -4.495 -19.135 189 HB3 PHE 25 3HB PHE 25 -4.038 -3.823 -18.286 190 HD1 PHE 25 HD1 PHE 25 -1.462 -3.129 -20.830 191 HD2 PHE 25 HD2 PHE 25 -5.116 -1.864 -19.051 192 HE1 PHE 25 HE1 PHE 25 -1.783 -1.506 -22.651 193 HE2 PHE 25 HE2 PHE 25 -5.443 -0.239 -20.870 194 HZ PHE 25 HZ PHE 25 -3.776 -0.059 -22.674 195 H ILE 26 H ILE 26 -0.321 -4.772 -17.084 196 HA ILE 26 HA ILE 26 1.610 -3.576 -18.940 197 HB ILE 26 HB ILE 26 2.034 -2.748 -16.599 198 HG12 ILE 26 2HG1 ILE 26 4.474 -4.238 -17.042 199 HG13 ILE 26 3HG1 ILE 26 3.810 -3.666 -18.568 200 HG21 ILE 26 1HG2 ILE 26 3.033 -4.288 -14.996 201 HG22 ILE 26 2HG2 ILE 26 1.396 -4.790 -15.415 202 HG23 ILE 26 3HG2 ILE 26 2.781 -5.629 -16.113 203 HD11 ILE 26 3HD1 ILE 26 3.647 -1.388 -17.447 204 HD12 ILE 26 1HD1 ILE 26 4.689 -2.065 -16.197 205 HD13 ILE 26 2HD1 ILE 26 5.255 -1.978 -17.865 206 H LYS 27 H LYS 27 2.962 -5.009 -19.937 207 HA LYS 27 HA LYS 27 2.182 -7.729 -20.023 208 HB2 LYS 27 2HB LYS 27 4.292 -7.973 -21.423 209 HB3 LYS 27 3HB LYS 27 3.092 -6.829 -22.009 210 HG2 LYS 27 2HG LYS 27 5.073 -5.620 -20.245 211 HG3 LYS 27 3HG LYS 27 5.766 -6.332 -21.704 212 HD2 LYS 27 2HD LYS 27 4.159 -5.055 -23.064 213 HD3 LYS 27 3HD LYS 27 3.522 -4.316 -21.594 214 HE2 LYS 27 2HE LYS 27 5.286 -2.924 -21.376 215 HE3 LYS 27 3HE LYS 27 6.439 -4.125 -21.956 216 HZ1 LYS 27 3HZ LYS 27 4.866 -3.484 -24.126 217 HZ2 LYS 27 1HZ LYS 27 6.469 -3.015 -23.857 218 HZ3 LYS 27 2HZ LYS 27 5.201 -2.005 -23.376 219 H CYS 28 H CYS 28 3.332 -9.595 -19.401 220 HA CYS 28 HA CYS 28 5.014 -9.182 -17.038 221 HB2 CYS 28 2HB CYS 28 3.099 -11.243 -17.904 222 HB3 CYS 28 3HB CYS 28 4.552 -11.873 -17.136 223 HA PRO 29 HA PRO 29 8.710 -10.601 -18.927 224 HB2 PRO 29 2HB PRO 29 9.851 -12.038 -16.926 225 HB3 PRO 29 3HB PRO 29 9.747 -10.273 -16.903 226 HG2 PRO 29 2HG PRO 29 8.008 -12.291 -15.537 227 HG3 PRO 29 3HG PRO 29 8.663 -10.769 -14.906 228 HD2 PRO 29 2HD PRO 29 6.112 -11.004 -15.783 229 HD3 PRO 29 3HD PRO 29 7.039 -9.497 -15.933 230 H LYS 30 H LYS 30 9.517 -12.287 -20.100 231 HA LYS 30 HA LYS 30 7.898 -14.692 -20.210 232 HB2 LYS 30 2HB LYS 30 8.977 -13.246 -22.176 233 HB3 LYS 30 3HB LYS 30 10.314 -14.358 -21.917 234 HG2 LYS 30 2HG LYS 30 9.258 -16.020 -22.948 235 HG3 LYS 30 3HG LYS 30 7.761 -15.728 -22.060 236 HD2 LYS 30 2HD LYS 30 8.332 -13.665 -24.037 237 HD3 LYS 30 3HD LYS 30 8.169 -15.272 -24.748 238 HE2 LYS 30 2HE LYS 30 5.994 -14.427 -24.762 239 HE3 LYS 30 3HE LYS 30 6.037 -15.465 -23.338 240 HZ1 LYS 30 3HZ LYS 30 5.638 -12.629 -23.519 241 HZ2 LYS 30 1HZ LYS 30 6.815 -13.052 -22.379 242 HZ3 LYS 30 2HZ LYS 30 5.255 -13.695 -22.262 243 H PHE 31 H PHE 31 10.185 -13.863 -18.178 244 HA PHE 31 HA PHE 31 12.023 -16.061 -18.401 245 HB2 PHE 31 2HB PHE 31 11.550 -13.921 -16.340 246 HB3 PHE 31 3HB PHE 31 12.661 -15.251 -16.031 247 HD1 PHE 31 HD2 PHE 31 14.389 -15.669 -18.015 248 HD2 PHE 31 HD1 PHE 31 12.418 -11.985 -17.199 249 HE1 PHE 31 HE2 PHE 31 16.169 -14.457 -19.204 250 HE2 PHE 31 HE1 PHE 31 14.195 -10.767 -18.388 251 HZ PHE 31 HZ PHE 31 16.074 -12.003 -19.392 252 H ASP 32 H ASP 32 12.155 -17.885 -17.102 253 HA ASP 32 HA ASP 32 9.741 -19.105 -16.370 254 HB2 ASP 32 2HB ASP 32 11.300 -20.747 -15.153 255 HB3 ASP 32 3HB ASP 32 11.511 -20.562 -16.891 256 H ASN 33 H ASN 33 11.709 -16.877 -14.689 257 HA ASN 33 HA ASN 33 11.069 -17.630 -12.026 258 HB2 ASN 33 2HB ASN 33 12.935 -16.032 -12.950 259 HB3 ASN 33 3HB ASN 33 11.691 -14.797 -12.778 260 HD21 ASN 33 1HD2 ASN 33 11.432 -13.884 -10.861 261 HD22 ASN 33 2HD2 ASN 33 12.112 -14.451 -9.378 262 H LYS 34 H LYS 34 9.505 -15.648 -14.439 263 HA LYS 34 HA LYS 34 7.091 -15.587 -12.843 264 HB2 LYS 34 2HB LYS 34 8.532 -13.059 -13.650 265 HB3 LYS 34 3HB LYS 34 6.843 -13.098 -13.162 266 HG2 LYS 34 2HG LYS 34 7.468 -13.928 -10.971 267 HG3 LYS 34 3HG LYS 34 9.165 -13.969 -11.454 268 HD2 LYS 34 2HD LYS 34 7.549 -11.439 -11.566 269 HD3 LYS 34 3HD LYS 34 8.364 -11.956 -10.089 270 HE2 LYS 34 2HE LYS 34 10.336 -11.248 -10.844 271 HE3 LYS 34 3HE LYS 34 10.132 -12.117 -12.365 272 HZ1 LYS 34 3HZ LYS 34 8.442 -9.995 -12.589 273 HZ2 LYS 34 1HZ LYS 34 9.978 -10.116 -13.289 274 HZ3 LYS 34 2HZ LYS 34 9.786 -9.333 -11.802 275 H LYS 35 H LYS 35 5.439 -16.005 -14.144 276 HA LYS 35 HA LYS 35 5.106 -14.758 -16.687 277 HB2 LYS 35 2HB LYS 35 6.334 -17.425 -16.551 278 HB3 LYS 35 3HB LYS 35 4.947 -17.324 -17.627 279 HG2 LYS 35 2HG LYS 35 6.101 -15.275 -18.628 280 HG3 LYS 35 3HG LYS 35 7.541 -15.831 -17.771 281 HD2 LYS 35 2HD LYS 35 5.955 -17.433 -19.778 282 HD3 LYS 35 3HD LYS 35 7.498 -16.634 -20.087 283 HE2 LYS 35 2HE LYS 35 8.399 -18.033 -18.144 284 HE3 LYS 35 3HE LYS 35 6.923 -18.984 -18.306 285 HZ1 LYS 35 3HZ LYS 35 8.998 -18.566 -20.387 286 HZ2 LYS 35 1HZ LYS 35 7.530 -19.365 -20.650 287 HZ3 LYS 35 2HZ LYS 35 8.660 -20.007 -19.569 288 H CYS 36 H CYS 36 3.210 -15.988 -17.900 289 HA CYS 36 HA CYS 36 1.158 -16.490 -15.853 290 HB2 CYS 36 2HB CYS 36 0.890 -15.515 -18.704 291 HB3 CYS 36 3HB CYS 36 -0.467 -15.857 -17.635 292 H THR 37 H THR 37 0.534 -18.520 -15.609 293 HA THR 37 HA THR 37 0.998 -20.438 -17.772 294 HB THR 37 HB THR 37 0.327 -22.114 -15.925 295 HG1 THR 37 HG1 THR 37 1.148 -20.097 -14.143 296 HG21 THR 37 3HG2 THR 37 2.596 -21.980 -16.660 297 HG22 THR 37 1HG2 THR 37 2.616 -21.963 -14.898 298 HG23 THR 37 2HG2 THR 37 2.848 -20.464 -15.796 299 H LYS 38 H LYS 38 -1.559 -19.003 -15.860 300 HA LYS 38 HA LYS 38 -3.522 -20.233 -17.663 301 HB2 LYS 38 2HB LYS 38 -3.224 -20.879 -14.925 302 HB3 LYS 38 3HB LYS 38 -4.679 -19.900 -15.056 303 HG2 LYS 38 2HG LYS 38 -5.779 -21.703 -15.707 304 HG3 LYS 38 3HG LYS 38 -4.790 -21.742 -17.168 305 HD2 LYS 38 2HD LYS 38 -4.413 -23.844 -16.291 306 HD3 LYS 38 3HD LYS 38 -3.056 -22.932 -15.626 307 HE2 LYS 38 2HE LYS 38 -5.304 -22.686 -13.879 308 HE3 LYS 38 3HE LYS 38 -5.032 -24.391 -14.234 309 HZ1 LYS 38 3HZ LYS 38 -3.181 -22.458 -12.985 310 HZ2 LYS 38 1HZ LYS 38 -2.612 -23.887 -13.689 311 HZ3 LYS 38 2HZ LYS 38 -3.699 -23.956 -12.395 312 H ASP 39 H ASP 39 -5.604 -19.084 -17.683 313 HA ASP 39 HA ASP 39 -5.184 -16.253 -17.802 314 HB2 ASP 39 2HB ASP 39 -7.604 -16.208 -18.483 315 HB3 ASP 39 3HB ASP 39 -6.583 -17.241 -19.480 316 H ASN 40 H ASN 40 -6.510 -14.656 -16.722 317 HA ASN 40 HA ASN 40 -7.407 -13.661 -14.884 318 HB2 ASN 40 2HB ASN 40 -9.029 -15.756 -15.321 319 HB3 ASN 40 3HB ASN 40 -8.413 -16.210 -13.735 320 HD21 ASN 40 1HD2 ASN 40 -8.318 -14.161 -12.227 321 HD22 ASN 40 2HD2 ASN 40 -9.803 -13.280 -12.150 322 H ASN 41 H ASN 41 -4.745 -15.100 -14.864 323 HA ASN 41 HA ASN 41 -4.216 -16.183 -12.344 324 HB2 ASN 41 2HB ASN 41 -2.723 -15.462 -14.647 325 HB3 ASN 41 3HB ASN 41 -1.930 -14.721 -13.260 326 HD21 ASN 41 1HD2 ASN 41 -1.309 -17.054 -15.077 327 HD22 ASN 41 2HD2 ASN 41 -0.932 -18.343 -13.990 328 H LYS 42 H LYS 42 -2.208 -14.810 -11.148 329 HA LYS 42 HA LYS 42 -3.257 -12.154 -10.499 330 HB2 LYS 42 2HB LYS 42 -3.666 -14.396 -8.864 331 HB3 LYS 42 3HB LYS 42 -2.360 -13.499 -8.101 332 HG2 LYS 42 2HG LYS 42 -4.284 -12.641 -7.121 333 HG3 LYS 42 3HG LYS 42 -3.871 -11.449 -8.355 334 HD2 LYS 42 2HD LYS 42 -6.224 -11.831 -8.480 335 HD3 LYS 42 3HD LYS 42 -5.485 -12.604 -9.884 336 HE2 LYS 42 2HE LYS 42 -7.213 -14.005 -8.812 337 HE3 LYS 42 3HE LYS 42 -5.622 -14.764 -8.819 338 HZ1 LYS 42 3HZ LYS 42 -6.175 -13.191 -6.465 339 HZ2 LYS 42 1HZ LYS 42 -5.522 -14.746 -6.600 340 HZ3 LYS 42 2HZ LYS 42 -7.198 -14.525 -6.653 341 H CYS 43 H CYS 43 -1.730 -10.692 -9.742 342 HA CYS 43 HA CYS 43 1.047 -11.638 -9.589 343 HB2 CYS 43 2HB CYS 43 0.464 -9.017 -10.910 344 HB3 CYS 43 3HB CYS 43 1.849 -10.085 -11.110 345 H THR 44 H THR 44 2.459 -9.603 -8.897 346 HA THR 44 HA THR 44 1.039 -8.080 -6.831 347 HB THR 44 HB THR 44 3.544 -8.675 -5.712 348 HG1 THR 44 HG1 THR 44 3.185 -11.078 -5.630 349 HG21 THR 44 3HG2 THR 44 1.237 -10.255 -4.782 350 HG22 THR 44 1HG2 THR 44 0.968 -8.516 -4.884 351 HG23 THR 44 2HG2 THR 44 2.285 -9.148 -3.895 352 H VAL 45 H VAL 45 1.824 -6.047 -6.455 353 HA VAL 45 HA VAL 45 4.306 -5.249 -7.800 354 HB VAL 45 HB VAL 45 1.690 -3.757 -8.048 355 HG11 VAL 45 1HG1 VAL 45 2.994 -2.272 -9.563 356 HG12 VAL 45 2HG1 VAL 45 3.497 -2.188 -7.873 357 HG13 VAL 45 3HG1 VAL 45 4.460 -3.099 -9.037 358 HG21 VAL 45 3HG2 VAL 45 3.186 -5.592 -9.846 359 HG22 VAL 45 1HG2 VAL 45 1.448 -5.380 -9.636 360 HG23 VAL 45 2HG2 VAL 45 2.373 -4.203 -10.567 361 H ASP 46 H ASP 46 5.583 -4.147 -6.475 362 HA ASP 46 HA ASP 46 4.366 -2.812 -4.147 363 HB2 ASP 46 2HB ASP 46 5.959 -4.821 -3.812 364 HB3 ASP 46 3HB ASP 46 7.237 -3.700 -4.270 365 H THR 47 H THR 47 4.672 -0.689 -3.896 366 HA THR 47 HA THR 47 6.165 0.744 -5.929 367 HB THR 47 HB THR 47 5.113 2.477 -3.890 368 HG1 THR 47 HG1 THR 47 3.359 1.417 -3.383 369 HG21 THR 47 3HG2 THR 47 3.796 3.343 -5.786 370 HG22 THR 47 1HG2 THR 47 4.308 1.963 -6.756 371 HG23 THR 47 2HG2 THR 47 5.499 3.139 -6.198 372 H TYR 48 H TYR 48 6.638 -0.340 -2.725 373 HA TYR 48 HA TYR 48 8.588 1.674 -2.022 374 HB2 TYR 48 2HB TYR 48 6.991 0.050 -0.533 375 HB3 TYR 48 3HB TYR 48 8.515 -0.828 -0.461 376 HD1 TYR 48 HD2 TYR 48 10.616 0.814 -0.005 377 HD2 TYR 48 HD1 TYR 48 6.592 1.552 1.164 378 HE1 TYR 48 HE2 TYR 48 11.413 2.334 1.756 379 HE2 TYR 48 HE1 TYR 48 7.378 3.075 2.928 380 HH TYR 48 HH TYR 48 9.719 4.557 3.170 381 H ASN 49 H ASN 49 8.582 -1.711 -3.037 382 HA ASN 49 HA ASN 49 11.514 -1.659 -3.177 383 HB2 ASN 49 2HB ASN 49 9.538 -3.945 -3.208 384 HB3 ASN 49 3HB ASN 49 11.260 -4.151 -3.511 385 HD21 ASN 49 1HD2 ASN 49 10.758 -5.617 -1.595 386 HD22 ASN 49 2HD2 ASN 49 11.021 -4.933 -0.031 387 H ASN 50 H ASN 50 8.868 -1.144 -5.104 388 HA ASN 50 HA ASN 50 8.480 -1.116 -7.350 389 HB2 ASN 50 2HB ASN 50 11.492 -0.823 -7.366 390 HB3 ASN 50 3HB ASN 50 10.450 -0.521 -8.754 391 HD21 ASN 50 1HD2 ASN 50 12.247 1.260 -7.259 392 HD22 ASN 50 2HD2 ASN 50 11.265 2.587 -6.749 393 H ALA 51 H ALA 51 8.911 -3.726 -6.084 394 HA ALA 51 HA ALA 51 10.035 -5.259 -8.328 395 HB1 ALA 51 1HB ALA 51 9.564 -5.994 -5.448 396 HB2 ALA 51 2HB ALA 51 10.004 -7.169 -6.688 397 HB3 ALA 51 3HB ALA 51 11.104 -5.848 -6.296 398 H VAL 52 H VAL 52 8.795 -6.600 -9.518 399 HA VAL 52 HA VAL 52 5.948 -6.802 -8.784 400 HB VAL 52 HB VAL 52 5.404 -6.980 -11.121 401 HG11 VAL 52 1HG1 VAL 52 7.362 -4.722 -11.076 402 HG12 VAL 52 2HG1 VAL 52 5.725 -4.774 -11.732 403 HG13 VAL 52 3HG1 VAL 52 5.975 -4.712 -9.987 404 HG21 VAL 52 3HG2 VAL 52 7.323 -6.593 -12.795 405 HG22 VAL 52 1HG2 VAL 52 8.376 -7.119 -11.481 406 HG23 VAL 52 2HG2 VAL 52 7.130 -8.202 -12.101 407 H ASP 53 H ASP 53 4.909 -8.770 -8.927 408 HA ASP 53 HA ASP 53 6.595 -11.108 -9.529 409 HB2 ASP 53 2HB ASP 53 5.405 -10.387 -7.018 410 HB3 ASP 53 3HB ASP 53 4.671 -11.878 -7.602 411 H CYS 54 H CYS 54 5.784 -12.185 -11.190 412 HA CYS 54 HA CYS 54 2.906 -12.022 -11.732 413 HB2 CYS 54 2HB CYS 54 4.779 -11.468 -13.465 414 HB3 CYS 54 3HB CYS 54 4.907 -13.216 -13.622 415 H ASP 55 H ASP 55 1.606 -13.762 -11.655 416 HA ASP 55 HA ASP 55 2.204 -16.009 -10.193 417 HB2 ASP 55 2HB ASP 55 0.000 -15.078 -11.732 418 HB3 ASP 55 3HB ASP 55 0.282 -16.760 -12.170 Start of MODEL 13 1 H1 ALA 1 H ALA 1 0.555 0.689 0.637 2 HA ALA 1 HA ALA 1 1.525 0.586 -1.559 3 HB1 ALA 1 1HB ALA 1 3.214 1.113 0.012 4 HB2 ALA 1 2HB ALA 1 3.326 -0.559 0.561 5 HB3 ALA 1 3HB ALA 1 3.893 -0.120 -1.050 6 H LYS 2 H LYS 2 -0.171 -1.815 -1.087 7 HA LYS 2 HA LYS 2 1.315 -3.658 -2.834 8 HB2 LYS 2 2HB LYS 2 -0.176 -4.245 -0.313 9 HB3 LYS 2 3HB LYS 2 -0.192 -5.442 -1.601 10 HG2 LYS 2 2HG LYS 2 2.429 -4.979 -1.511 11 HG3 LYS 2 3HG LYS 2 2.019 -4.570 0.156 12 HD2 LYS 2 2HD LYS 2 2.189 -6.765 0.558 13 HD3 LYS 2 3HD LYS 2 0.628 -6.902 -0.254 14 HE2 LYS 2 2HE LYS 2 2.174 -8.496 -1.200 15 HE3 LYS 2 3HE LYS 2 1.808 -7.251 -2.393 16 HZ1 LYS 2 3HZ LYS 2 4.127 -6.753 -0.719 17 HZ2 LYS 2 1HZ LYS 2 3.911 -6.496 -2.378 18 HZ3 LYS 2 2HZ LYS 2 4.276 -8.044 -1.803 19 H TYR 3 H TYR 3 0.319 -3.919 -4.712 20 HA TYR 3 HA TYR 3 -2.606 -3.571 -4.811 21 HB2 TYR 3 2HB TYR 3 -0.499 -2.885 -6.861 22 HB3 TYR 3 3HB TYR 3 -2.220 -2.925 -7.226 23 HD1 TYR 3 HD1 TYR 3 -3.690 -1.517 -5.468 24 HD2 TYR 3 HD2 TYR 3 0.414 -0.832 -6.359 25 HE1 TYR 3 HE1 TYR 3 -3.914 0.804 -4.687 26 HE2 TYR 3 HE2 TYR 3 0.202 1.490 -5.578 27 HH TYR 3 HH TYR 3 -1.623 2.664 -3.766 28 H THR 4 H THR 4 -3.803 -5.180 -5.627 29 HA THR 4 HA THR 4 -2.398 -7.578 -6.556 30 HB THR 4 HB THR 4 -3.946 -7.917 -4.701 31 HG1 THR 4 HG1 THR 4 -3.733 -9.485 -6.520 32 HG21 THR 4 3HG2 THR 4 -6.329 -7.560 -4.932 33 HG22 THR 4 1HG2 THR 4 -6.115 -6.990 -6.587 34 HG23 THR 4 2HG2 THR 4 -5.480 -6.046 -5.240 35 H GLY 5 H GLY 5 -2.492 -8.252 -8.607 36 HA2 GLY 5 2HA GLY 5 -4.648 -7.242 -10.333 37 HA3 GLY 5 3HA GLY 5 -2.978 -7.020 -10.831 38 H LYS 6 H LYS 6 -4.826 -8.395 -12.389 39 HA LYS 6 HA LYS 6 -3.896 -11.181 -12.139 40 HB2 LYS 6 2HB LYS 6 -6.445 -10.118 -13.369 41 HB3 LYS 6 3HB LYS 6 -5.931 -11.799 -13.437 42 HG2 LYS 6 2HG LYS 6 -6.961 -12.159 -11.516 43 HG3 LYS 6 3HG LYS 6 -5.844 -11.043 -10.728 44 HD2 LYS 6 2HD LYS 6 -7.968 -10.194 -10.226 45 HD3 LYS 6 3HD LYS 6 -7.400 -9.189 -11.561 46 HE2 LYS 6 2HE LYS 6 -9.054 -9.866 -12.901 47 HE3 LYS 6 3HE LYS 6 -8.815 -11.559 -12.471 48 HZ1 LYS 6 3HZ LYS 6 -10.188 -9.676 -10.652 49 HZ2 LYS 6 1HZ LYS 6 -10.234 -11.367 -10.646 50 HZ3 LYS 6 2HZ LYS 6 -11.025 -10.504 -11.866 51 H CYS 7 H CYS 7 -3.093 -12.220 -13.940 52 HA CYS 7 HA CYS 7 -2.720 -10.554 -16.342 53 HB2 CYS 7 2HB CYS 7 -0.486 -11.215 -16.553 54 HB3 CYS 7 3HB CYS 7 -0.664 -10.945 -14.822 55 H THR 8 H THR 8 -2.368 -11.767 -18.336 56 HA THR 8 HA THR 8 -3.762 -14.364 -18.284 57 HB THR 8 HB THR 8 -3.962 -13.519 -20.889 58 HG1 THR 8 HG1 THR 8 -4.799 -11.313 -20.591 59 HG21 THR 8 3HG2 THR 8 -5.715 -14.516 -19.420 60 HG22 THR 8 1HG2 THR 8 -6.298 -13.186 -20.420 61 HG23 THR 8 2HG2 THR 8 -5.963 -12.921 -18.709 62 H LYS 9 H LYS 9 -2.951 -16.059 -19.476 63 HA LYS 9 HA LYS 9 -0.140 -15.988 -20.028 64 HB2 LYS 9 2HB LYS 9 -0.296 -18.317 -20.377 65 HB3 LYS 9 3HB LYS 9 -1.455 -17.963 -19.103 66 HG2 LYS 9 2HG LYS 9 -3.280 -18.062 -20.686 67 HG3 LYS 9 3HG LYS 9 -2.144 -18.311 -22.014 68 HD2 LYS 9 2HD LYS 9 -2.527 -20.169 -19.666 69 HD3 LYS 9 3HD LYS 9 -3.194 -20.412 -21.283 70 HE2 LYS 9 2HE LYS 9 -0.771 -20.250 -22.097 71 HE3 LYS 9 3HE LYS 9 -0.322 -20.464 -20.406 72 HZ1 LYS 9 3HZ LYS 9 -0.673 -22.631 -20.577 73 HZ2 LYS 9 1HZ LYS 9 -0.932 -22.440 -22.238 74 HZ3 LYS 9 2HZ LYS 9 -2.241 -22.399 -21.167 75 H SER 10 H SER 10 -3.015 -15.541 -21.865 76 HA SER 10 HA SER 10 -2.065 -16.271 -24.419 77 HB2 SER 10 2HB SER 10 -4.483 -15.779 -23.675 78 HB3 SER 10 3HB SER 10 -4.082 -14.083 -23.947 79 HG SER 10 HG SER 10 -4.626 -16.049 -25.749 80 H LYS 11 H LYS 11 -2.238 -13.106 -22.803 81 HA LYS 11 HA LYS 11 -0.411 -12.030 -24.839 82 HB2 LYS 11 2HB LYS 11 -2.241 -10.630 -22.883 83 HB3 LYS 11 3HB LYS 11 -1.117 -9.800 -23.951 84 HG2 LYS 11 2HG LYS 11 -2.286 -10.687 -25.894 85 HG3 LYS 11 3HG LYS 11 -3.401 -11.555 -24.835 86 HD2 LYS 11 2HD LYS 11 -3.637 -9.050 -23.850 87 HD3 LYS 11 3HD LYS 11 -3.290 -8.695 -25.544 88 HE2 LYS 11 2HE LYS 11 -5.177 -9.896 -26.286 89 HE3 LYS 11 3HE LYS 11 -5.392 -10.678 -24.721 90 HZ1 LYS 11 3HZ LYS 11 -6.248 -8.057 -25.611 91 HZ2 LYS 11 1HZ LYS 11 -5.610 -8.108 -24.045 92 HZ3 LYS 11 2HZ LYS 11 -6.930 -9.084 -24.454 93 H ASN 12 H ASN 12 -0.317 -13.363 -21.837 94 HA ASN 12 HA ASN 12 1.121 -13.302 -20.068 95 HB2 ASN 12 2HB ASN 12 2.615 -13.905 -22.022 96 HB3 ASN 12 3HB ASN 12 3.103 -12.213 -22.070 97 HD21 ASN 12 1HD2 ASN 12 5.069 -13.910 -21.743 98 HD22 ASN 12 2HD2 ASN 12 5.638 -13.944 -20.112 99 H GLU 13 H GLU 13 -0.486 -10.948 -20.434 100 HA GLU 13 HA GLU 13 1.316 -8.890 -19.340 101 HB2 GLU 13 2HB GLU 13 0.395 -8.085 -21.390 102 HB3 GLU 13 3HB GLU 13 -1.221 -8.617 -20.947 103 HG2 GLU 13 2HG GLU 13 -1.549 -6.864 -19.493 104 HG3 GLU 13 3HG GLU 13 0.178 -6.597 -19.259 105 H CYS 14 H CYS 14 0.682 -7.751 -17.511 106 HA CYS 14 HA CYS 14 -1.487 -9.016 -15.976 107 HB2 CYS 14 2HB CYS 14 0.850 -9.146 -15.055 108 HB3 CYS 14 3HB CYS 14 0.823 -7.392 -14.896 109 H LYS 15 H LYS 15 -2.799 -7.664 -14.610 110 HA LYS 15 HA LYS 15 -2.844 -4.820 -15.322 111 HB2 LYS 15 2HB LYS 15 -5.162 -4.814 -15.828 112 HB3 LYS 15 3HB LYS 15 -4.467 -6.143 -16.747 113 HG2 LYS 15 2HG LYS 15 -6.232 -7.264 -15.926 114 HG3 LYS 15 3HG LYS 15 -5.185 -7.457 -14.517 115 HD2 LYS 15 2HD LYS 15 -6.988 -6.621 -13.434 116 HD3 LYS 15 3HD LYS 15 -6.289 -5.079 -13.935 117 HE2 LYS 15 2HE LYS 15 -8.480 -4.842 -14.611 118 HE3 LYS 15 3HE LYS 15 -7.717 -5.444 -16.082 119 HZ1 LYS 15 3HZ LYS 15 -8.429 -7.714 -15.335 120 HZ2 LYS 15 1HZ LYS 15 -9.687 -6.676 -15.783 121 HZ3 LYS 15 2HZ LYS 15 -9.369 -6.962 -14.147 122 H TYR 16 H TYR 16 -3.124 -3.535 -13.611 123 HA TYR 16 HA TYR 16 -4.564 -4.488 -11.268 124 HB2 TYR 16 2HB TYR 16 -2.761 -3.988 -9.721 125 HB3 TYR 16 3HB TYR 16 -2.212 -5.177 -10.897 126 HD1 TYR 16 HD2 TYR 16 -0.550 -4.586 -12.581 127 HD2 TYR 16 HD1 TYR 16 -1.842 -1.747 -9.688 128 HE1 TYR 16 HE2 TYR 16 1.375 -3.158 -13.131 129 HE2 TYR 16 HE1 TYR 16 0.079 -0.310 -10.231 130 HH TYR 16 HH TYR 16 1.610 0.041 -12.221 131 H LYS 17 H LYS 17 -4.855 -2.734 -9.645 132 HA LYS 17 HA LYS 17 -5.290 -0.198 -11.040 133 HB2 LYS 17 2HB LYS 17 -6.652 -1.662 -8.915 134 HB3 LYS 17 3HB LYS 17 -6.418 0.036 -8.519 135 HG2 LYS 17 2HG LYS 17 -7.602 0.730 -10.468 136 HG3 LYS 17 3HG LYS 17 -7.662 -0.922 -11.085 137 HD2 LYS 17 2HD LYS 17 -8.958 -1.502 -8.977 138 HD3 LYS 17 3HD LYS 17 -9.110 0.237 -8.716 139 HE2 LYS 17 2HE LYS 17 -9.805 -0.587 -11.425 140 HE3 LYS 17 3HE LYS 17 -10.819 -1.336 -10.193 141 HZ1 LYS 17 3HZ LYS 17 -10.807 1.175 -9.340 142 HZ2 LYS 17 1HZ LYS 17 -11.962 0.575 -10.422 143 HZ3 LYS 17 2HZ LYS 17 -10.635 1.450 -11.000 144 H ASN 18 H ASN 18 -4.446 1.734 -10.359 145 HA ASN 18 HA ASN 18 -2.194 1.542 -8.506 146 HB2 ASN 18 2HB ASN 18 -1.498 3.704 -9.430 147 HB3 ASN 18 3HB ASN 18 -1.772 2.532 -10.715 148 HD21 ASN 18 1HD2 ASN 18 -1.742 4.894 -11.660 149 HD22 ASN 18 2HD2 ASN 18 -3.312 5.561 -11.932 150 H ASP 19 H ASP 19 -1.866 3.924 -7.444 151 HA ASP 19 HA ASP 19 -3.809 4.061 -5.398 152 HB2 ASP 19 2HB ASP 19 -2.477 5.715 -4.431 153 HB3 ASP 19 3HB ASP 19 -1.316 4.781 -5.371 154 H ALA 20 H ALA 20 -3.516 5.623 -8.469 155 HA ALA 20 HA ALA 20 -5.249 7.825 -7.902 156 HB1 ALA 20 1HB ALA 20 -3.781 8.206 -9.671 157 HB2 ALA 20 2HB ALA 20 -4.131 6.648 -10.422 158 HB3 ALA 20 3HB ALA 20 -5.333 7.938 -10.465 159 H GLY 21 H GLY 21 -5.777 4.528 -8.407 160 HA2 GLY 21 2HA GLY 21 -7.870 3.477 -8.194 161 HA3 GLY 21 3HA GLY 21 -8.651 4.998 -8.601 162 H LYS 22 H LYS 22 -6.592 5.112 -10.911 163 HA LYS 22 HA LYS 22 -8.354 4.024 -12.880 164 HB2 LYS 22 2HB LYS 22 -5.806 5.554 -12.885 165 HB3 LYS 22 3HB LYS 22 -6.182 4.624 -14.329 166 HG2 LYS 22 2HG LYS 22 -8.410 5.786 -14.369 167 HG3 LYS 22 3HG LYS 22 -7.793 6.842 -13.097 168 HD2 LYS 22 2HD LYS 22 -6.116 6.496 -15.521 169 HD3 LYS 22 3HD LYS 22 -7.593 7.449 -15.684 170 HE2 LYS 22 2HE LYS 22 -6.777 8.691 -13.588 171 HE3 LYS 22 3HE LYS 22 -5.214 7.947 -13.924 172 HZ1 LYS 22 3HZ LYS 22 -6.683 9.508 -15.964 173 HZ2 LYS 22 1HZ LYS 22 -5.051 9.063 -15.961 174 HZ3 LYS 22 2HZ LYS 22 -5.610 10.235 -14.878 175 H ASP 23 H ASP 23 -7.898 2.379 -14.402 176 HA ASP 23 HA ASP 23 -6.468 0.146 -13.275 177 HB2 ASP 23 2HB ASP 23 -7.253 -1.014 -15.385 178 HB3 ASP 23 3HB ASP 23 -8.527 -0.382 -14.346 179 H THR 24 H THR 24 -4.466 -0.495 -13.739 180 HA THR 24 HA THR 24 -3.141 0.665 -16.103 181 HB THR 24 HB THR 24 -1.631 -0.042 -13.602 182 HG1 THR 24 HG1 THR 24 -2.811 1.534 -12.742 183 HG21 THR 24 3HG2 THR 24 -0.348 0.291 -15.654 184 HG22 THR 24 1HG2 THR 24 -0.026 1.585 -14.500 185 HG23 THR 24 2HG2 THR 24 -1.093 1.874 -15.875 186 H PHE 25 H PHE 25 -2.252 -0.747 -17.469 187 HA PHE 25 HA PHE 25 -1.977 -3.540 -16.577 188 HB2 PHE 25 2HB PHE 25 -2.052 -2.924 -19.478 189 HB3 PHE 25 3HB PHE 25 -2.758 -4.273 -18.594 190 HD1 PHE 25 HD2 PHE 25 -3.222 -0.781 -19.625 191 HD2 PHE 25 HD1 PHE 25 -4.982 -4.161 -17.729 192 HE1 PHE 25 HE2 PHE 25 -5.427 0.303 -19.746 193 HE2 PHE 25 HE1 PHE 25 -7.190 -3.083 -17.849 194 HZ PHE 25 HZ PHE 25 -7.415 -0.847 -18.857 195 H ILE 26 H ILE 26 -0.041 -4.505 -16.685 196 HA ILE 26 HA ILE 26 2.093 -3.214 -18.241 197 HB ILE 26 HB ILE 26 2.238 -2.646 -15.780 198 HG12 ILE 26 2HG1 ILE 26 4.668 -4.224 -16.454 199 HG13 ILE 26 3HG1 ILE 26 4.172 -2.981 -17.598 200 HG21 ILE 26 1HG2 ILE 26 3.059 -4.354 -14.261 201 HG22 ILE 26 2HG2 ILE 26 1.498 -4.825 -14.930 202 HG23 ILE 26 3HG2 ILE 26 2.978 -5.559 -15.545 203 HD11 ILE 26 3HD1 ILE 26 4.769 -1.303 -16.230 204 HD12 ILE 26 1HD1 ILE 26 4.258 -2.159 -14.776 205 HD13 ILE 26 2HD1 ILE 26 5.810 -2.539 -15.524 206 H LYS 27 H LYS 27 3.430 -4.572 -19.311 207 HA LYS 27 HA LYS 27 2.660 -7.273 -19.660 208 HB2 LYS 27 2HB LYS 27 5.018 -7.312 -20.841 209 HB3 LYS 27 3HB LYS 27 3.662 -6.452 -21.558 210 HG2 LYS 27 2HG LYS 27 5.787 -5.187 -21.605 211 HG3 LYS 27 3HG LYS 27 4.485 -4.353 -20.753 212 HD2 LYS 27 2HD LYS 27 5.423 -4.837 -18.642 213 HD3 LYS 27 3HD LYS 27 6.520 -6.042 -19.320 214 HE2 LYS 27 2HE LYS 27 6.622 -3.066 -19.802 215 HE3 LYS 27 3HE LYS 27 7.710 -3.988 -18.766 216 HZ1 LYS 27 3HZ LYS 27 7.748 -3.655 -21.615 217 HZ2 LYS 27 1HZ LYS 27 7.864 -5.276 -21.147 218 HZ3 LYS 27 2HZ LYS 27 8.983 -4.148 -20.570 219 H CYS 28 H CYS 28 3.807 -9.186 -19.160 220 HA CYS 28 HA CYS 28 5.380 -8.969 -16.694 221 HB2 CYS 28 2HB CYS 28 3.576 -11.038 -17.846 222 HB3 CYS 28 3HB CYS 28 4.915 -11.595 -16.848 223 HA PRO 29 HA PRO 29 9.126 -10.351 -18.509 224 HB2 PRO 29 2HB PRO 29 10.104 -12.050 -16.631 225 HB3 PRO 29 3HB PRO 29 10.058 -10.297 -16.410 226 HG2 PRO 29 2HG PRO 29 8.179 -12.387 -15.379 227 HG3 PRO 29 3HG PRO 29 8.848 -10.974 -14.543 228 HD2 PRO 29 2HD PRO 29 6.344 -11.007 -15.572 229 HD3 PRO 29 3HD PRO 29 7.326 -9.530 -15.500 230 H LYS 30 H LYS 30 9.746 -11.824 -19.980 231 HA LYS 30 HA LYS 30 8.147 -14.220 -20.304 232 HB2 LYS 30 2HB LYS 30 9.007 -12.575 -22.152 233 HB3 LYS 30 3HB LYS 30 10.485 -13.523 -22.046 234 HG2 LYS 30 2HG LYS 30 9.487 -15.423 -22.884 235 HG3 LYS 30 3HG LYS 30 7.866 -14.907 -22.412 236 HD2 LYS 30 2HD LYS 30 8.607 -12.943 -24.165 237 HD3 LYS 30 3HD LYS 30 9.378 -14.369 -24.862 238 HE2 LYS 30 2HE LYS 30 7.362 -15.450 -25.206 239 HE3 LYS 30 3HE LYS 30 6.526 -14.501 -23.978 240 HZ1 LYS 30 3HZ LYS 30 7.157 -13.796 -26.757 241 HZ2 LYS 30 1HZ LYS 30 7.041 -12.559 -25.609 242 HZ3 LYS 30 2HZ LYS 30 5.720 -13.576 -25.891 243 H PHE 31 H PHE 31 10.536 -13.625 -18.302 244 HA PHE 31 HA PHE 31 12.364 -15.763 -18.888 245 HB2 PHE 31 2HB PHE 31 12.017 -13.807 -16.650 246 HB3 PHE 31 3HB PHE 31 13.023 -15.229 -16.393 247 HD1 PHE 31 HD1 PHE 31 15.055 -15.568 -17.742 248 HD2 PHE 31 HD2 PHE 31 12.744 -12.003 -18.015 249 HE1 PHE 31 HE1 PHE 31 16.943 -14.431 -18.835 250 HE2 PHE 31 HE2 PHE 31 14.629 -10.862 -19.110 251 HZ PHE 31 HZ PHE 31 16.732 -12.076 -19.522 252 H ASP 32 H ASP 32 12.550 -17.740 -17.861 253 HA ASP 32 HA ASP 32 10.175 -19.041 -17.133 254 HB2 ASP 32 2HB ASP 32 13.034 -19.718 -17.255 255 HB3 ASP 32 3HB ASP 32 12.125 -20.635 -16.056 256 H ASN 33 H ASN 33 12.261 -17.046 -15.322 257 HA ASN 33 HA ASN 33 11.841 -18.148 -12.741 258 HB2 ASN 33 2HB ASN 33 13.450 -16.175 -13.775 259 HB3 ASN 33 3HB ASN 33 12.277 -15.246 -12.847 260 HD21 ASN 33 1HD2 ASN 33 11.766 -16.615 -10.679 261 HD22 ASN 33 2HD2 ASN 33 13.192 -16.941 -9.759 262 H LYS 34 H LYS 34 10.056 -15.910 -14.743 263 HA LYS 34 HA LYS 34 7.764 -16.141 -13.001 264 HB2 LYS 34 2HB LYS 34 9.387 -13.665 -13.167 265 HB3 LYS 34 3HB LYS 34 7.641 -13.462 -13.247 266 HG2 LYS 34 2HG LYS 34 7.449 -13.739 -11.059 267 HG3 LYS 34 3HG LYS 34 8.334 -15.265 -11.121 268 HD2 LYS 34 2HD LYS 34 10.373 -13.537 -11.416 269 HD3 LYS 34 3HD LYS 34 9.275 -12.544 -10.455 270 HE2 LYS 34 2HE LYS 34 9.082 -14.661 -8.964 271 HE3 LYS 34 3HE LYS 34 10.577 -15.148 -9.761 272 HZ1 LYS 34 3HZ LYS 34 11.720 -13.334 -8.883 273 HZ2 LYS 34 1HZ LYS 34 10.764 -13.864 -7.592 274 HZ3 LYS 34 2HZ LYS 34 10.305 -12.499 -8.479 275 H LYS 35 H LYS 35 6.034 -16.371 -14.248 276 HA LYS 35 HA LYS 35 5.518 -14.728 -16.519 277 HB2 LYS 35 2HB LYS 35 5.359 -16.862 -18.040 278 HB3 LYS 35 3HB LYS 35 6.886 -16.009 -17.859 279 HG2 LYS 35 2HG LYS 35 7.518 -17.643 -16.094 280 HG3 LYS 35 3HG LYS 35 6.043 -18.539 -16.464 281 HD2 LYS 35 2HD LYS 35 7.988 -17.861 -18.637 282 HD3 LYS 35 3HD LYS 35 8.279 -19.245 -17.580 283 HE2 LYS 35 2HE LYS 35 5.813 -18.779 -19.255 284 HE3 LYS 35 3HE LYS 35 7.115 -19.909 -19.625 285 HZ1 LYS 35 3HZ LYS 35 6.359 -20.576 -17.095 286 HZ2 LYS 35 1HZ LYS 35 5.917 -21.392 -18.509 287 HZ3 LYS 35 2HZ LYS 35 4.890 -20.218 -17.854 288 H CYS 36 H CYS 36 3.537 -15.666 -17.763 289 HA CYS 36 HA CYS 36 1.625 -16.537 -15.721 290 HB2 CYS 36 2HB CYS 36 1.181 -15.295 -18.444 291 HB3 CYS 36 3HB CYS 36 -0.100 -15.750 -17.324 292 H THR 37 H THR 37 1.043 -18.594 -15.666 293 HA THR 37 HA THR 37 1.462 -20.271 -18.027 294 HB THR 37 HB THR 37 0.905 -22.148 -16.374 295 HG1 THR 37 HG1 THR 37 -0.001 -20.632 -14.794 296 HG21 THR 37 3HG2 THR 37 3.177 -21.720 -17.102 297 HG22 THR 37 1HG2 THR 37 3.169 -22.082 -15.377 298 HG23 THR 37 2HG2 THR 37 3.338 -20.415 -15.927 299 H LYS 38 H LYS 38 -1.061 -19.027 -15.960 300 HA LYS 38 HA LYS 38 -3.053 -20.251 -17.747 301 HB2 LYS 38 2HB LYS 38 -2.809 -21.229 -15.327 302 HB3 LYS 38 3HB LYS 38 -3.680 -19.775 -14.855 303 HG2 LYS 38 2HG LYS 38 -5.527 -20.386 -16.312 304 HG3 LYS 38 3HG LYS 38 -4.649 -21.823 -16.840 305 HD2 LYS 38 2HD LYS 38 -4.910 -22.890 -14.803 306 HD3 LYS 38 3HD LYS 38 -5.163 -21.378 -13.928 307 HE2 LYS 38 2HE LYS 38 -7.124 -22.310 -15.993 308 HE3 LYS 38 3HE LYS 38 -7.182 -22.936 -14.346 309 HZ1 LYS 38 3HZ LYS 38 -8.427 -21.156 -13.920 310 HZ2 LYS 38 1HZ LYS 38 -7.991 -20.375 -15.356 311 HZ3 LYS 38 2HZ LYS 38 -6.998 -20.254 -13.993 312 H ASP 39 H ASP 39 -4.864 -19.008 -18.220 313 HA ASP 39 HA ASP 39 -4.483 -16.199 -18.194 314 HB2 ASP 39 2HB ASP 39 -6.874 -16.181 -19.078 315 HB3 ASP 39 3HB ASP 39 -5.696 -17.085 -20.026 316 H ASN 40 H ASN 40 -5.828 -14.589 -17.218 317 HA ASN 40 HA ASN 40 -6.894 -13.590 -15.475 318 HB2 ASN 40 2HB ASN 40 -8.581 -15.514 -16.176 319 HB3 ASN 40 3HB ASN 40 -8.142 -16.155 -14.596 320 HD21 ASN 40 1HD2 ASN 40 -8.526 -14.837 -12.738 321 HD22 ASN 40 2HD2 ASN 40 -9.782 -13.651 -12.761 322 H ASN 41 H ASN 41 -4.359 -15.300 -15.177 323 HA ASN 41 HA ASN 41 -4.235 -16.372 -12.599 324 HB2 ASN 41 2HB ASN 41 -2.422 -15.857 -14.727 325 HB3 ASN 41 3HB ASN 41 -1.714 -15.193 -13.257 326 HD21 ASN 41 1HD2 ASN 41 -0.899 -17.486 -14.862 327 HD22 ASN 41 2HD2 ASN 41 -0.898 -18.841 -13.791 328 H LYS 42 H LYS 42 -2.261 -15.208 -11.178 329 HA LYS 42 HA LYS 42 -3.233 -12.489 -10.600 330 HB2 LYS 42 2HB LYS 42 -3.558 -14.750 -8.969 331 HB3 LYS 42 3HB LYS 42 -2.252 -13.829 -8.233 332 HG2 LYS 42 2HG LYS 42 -4.198 -13.043 -7.208 333 HG3 LYS 42 3HG LYS 42 -3.791 -11.811 -8.404 334 HD2 LYS 42 2HD LYS 42 -6.154 -12.227 -8.508 335 HD3 LYS 42 3HD LYS 42 -5.406 -12.881 -9.967 336 HE2 LYS 42 2HE LYS 42 -6.036 -14.968 -9.473 337 HE3 LYS 42 3HE LYS 42 -5.523 -14.813 -7.794 338 HZ1 LYS 42 3HZ LYS 42 -7.611 -14.504 -7.157 339 HZ2 LYS 42 1HZ LYS 42 -8.106 -14.901 -8.725 340 HZ3 LYS 42 2HZ LYS 42 -7.864 -13.282 -8.300 341 H CYS 43 H CYS 43 -1.711 -11.018 -9.812 342 HA CYS 43 HA CYS 43 1.072 -11.900 -9.641 343 HB2 CYS 43 2HB CYS 43 1.432 -9.593 -11.010 344 HB3 CYS 43 3HB CYS 43 1.379 -11.180 -11.770 345 H THR 44 H THR 44 2.464 -9.829 -9.096 346 HA THR 44 HA THR 44 0.989 -8.136 -7.200 347 HB THR 44 HB THR 44 3.302 -8.406 -5.848 348 HG1 THR 44 HG1 THR 44 2.822 -11.054 -6.732 349 HG21 THR 44 3HG2 THR 44 1.439 -10.607 -5.279 350 HG22 THR 44 1HG2 THR 44 0.687 -9.018 -5.408 351 HG23 THR 44 2HG2 THR 44 1.984 -9.288 -4.245 352 H VAL 45 H VAL 45 1.797 -6.071 -6.910 353 HA VAL 45 HA VAL 45 4.241 -5.317 -8.323 354 HB VAL 45 HB VAL 45 1.631 -3.869 -8.785 355 HG11 VAL 45 1HG1 VAL 45 3.587 -2.417 -8.851 356 HG12 VAL 45 2HG1 VAL 45 4.364 -3.497 -10.010 357 HG13 VAL 45 3HG1 VAL 45 2.902 -2.619 -10.463 358 HG21 VAL 45 3HG2 VAL 45 3.092 -5.923 -10.404 359 HG22 VAL 45 1HG2 VAL 45 1.373 -5.818 -10.022 360 HG23 VAL 45 2HG2 VAL 45 2.086 -4.705 -11.189 361 H ASP 46 H ASP 46 5.430 -4.023 -7.093 362 HA ASP 46 HA ASP 46 4.082 -2.479 -4.975 363 HB2 ASP 46 2HB ASP 46 5.678 -4.401 -4.329 364 HB3 ASP 46 3HB ASP 46 6.967 -3.327 -4.866 365 H THR 47 H THR 47 4.378 -0.334 -4.913 366 HA THR 47 HA THR 47 5.885 0.905 -7.053 367 HB THR 47 HB THR 47 4.856 2.845 -5.221 368 HG1 THR 47 HG1 THR 47 3.367 1.413 -4.446 369 HG21 THR 47 3HG2 THR 47 4.043 1.954 -7.987 370 HG22 THR 47 1HG2 THR 47 5.121 3.284 -7.566 371 HG23 THR 47 2HG2 THR 47 3.402 3.386 -7.184 372 H TYR 48 H TYR 48 6.360 0.126 -3.761 373 HA TYR 48 HA TYR 48 8.291 2.203 -3.230 374 HB2 TYR 48 2HB TYR 48 6.826 0.303 -1.689 375 HB3 TYR 48 3HB TYR 48 8.540 0.058 -1.371 376 HD1 TYR 48 HD1 TYR 48 9.919 2.126 -0.714 377 HD2 TYR 48 HD2 TYR 48 5.666 2.032 -0.632 378 HE1 TYR 48 HE1 TYR 48 9.912 4.048 0.822 379 HE2 TYR 48 HE2 TYR 48 5.647 3.953 0.903 380 HH TYR 48 HH TYR 48 8.442 5.066 2.489 381 H ASN 49 H ASN 49 8.343 -1.252 -3.984 382 HA ASN 49 HA ASN 49 11.272 -1.152 -4.159 383 HB2 ASN 49 2HB ASN 49 9.293 -3.367 -3.762 384 HB3 ASN 49 3HB ASN 49 10.875 -3.732 -4.446 385 HD21 ASN 49 1HD2 ASN 49 12.565 -3.933 -3.124 386 HD22 ASN 49 2HD2 ASN 49 12.540 -3.610 -1.427 387 H ASN 50 H ASN 50 8.601 -0.839 -6.093 388 HA ASN 50 HA ASN 50 8.193 -0.992 -8.329 389 HB2 ASN 50 2HB ASN 50 11.145 -0.454 -8.193 390 HB3 ASN 50 3HB ASN 50 10.353 -0.681 -9.750 391 HD21 ASN 50 1HD2 ASN 50 11.609 1.672 -9.093 392 HD22 ASN 50 2HD2 ASN 50 10.429 2.923 -8.922 393 H ALA 51 H ALA 51 8.651 -3.487 -6.876 394 HA ALA 51 HA ALA 51 9.861 -5.185 -8.940 395 HB1 ALA 51 1HB ALA 51 9.176 -5.676 -6.055 396 HB2 ALA 51 2HB ALA 51 9.625 -6.975 -7.161 397 HB3 ALA 51 3HB ALA 51 10.765 -5.674 -6.820 398 H VAL 52 H VAL 52 8.751 -6.925 -9.852 399 HA VAL 52 HA VAL 52 5.855 -7.039 -9.353 400 HB VAL 52 HB VAL 52 7.152 -7.007 -12.082 401 HG11 VAL 52 1HG1 VAL 52 4.504 -7.862 -11.130 402 HG12 VAL 52 2HG1 VAL 52 4.493 -6.788 -12.531 403 HG13 VAL 52 3HG1 VAL 52 5.386 -8.308 -12.590 404 HG21 VAL 52 3HG2 VAL 52 6.318 -4.890 -10.422 405 HG22 VAL 52 1HG2 VAL 52 6.808 -4.814 -12.115 406 HG23 VAL 52 2HG2 VAL 52 5.109 -5.040 -11.698 407 H ASP 53 H ASP 53 4.916 -9.045 -9.528 408 HA ASP 53 HA ASP 53 6.602 -11.292 -10.359 409 HB2 ASP 53 2HB ASP 53 5.837 -10.687 -7.640 410 HB3 ASP 53 3HB ASP 53 5.155 -12.232 -8.140 411 H CYS 54 H CYS 54 5.543 -12.734 -11.568 412 HA CYS 54 HA CYS 54 2.598 -12.605 -11.600 413 HB2 CYS 54 2HB CYS 54 4.283 -13.499 -13.932 414 HB3 CYS 54 3HB CYS 54 2.596 -12.992 -13.931 415 H ASP 55 H ASP 55 1.494 -14.438 -11.268 416 HA ASP 55 HA ASP 55 2.632 -16.696 -10.160 417 HB2 ASP 55 2HB ASP 55 -0.012 -16.118 -11.423 418 HB3 ASP 55 3HB ASP 55 0.390 -17.792 -11.050 Start of MODEL 14 1 H1 ALA 1 H ALA 1 0.113 0.909 -1.429 2 HA ALA 1 HA ALA 1 2.275 1.196 -2.419 3 HB1 ALA 1 1HB ALA 1 3.467 -0.756 -0.509 4 HB2 ALA 1 2HB ALA 1 4.223 0.582 -1.375 5 HB3 ALA 1 3HB ALA 1 3.194 0.904 0.020 6 H LYS 2 H LYS 2 0.616 -1.626 -1.321 7 HA LYS 2 HA LYS 2 1.777 -3.287 -3.429 8 HB2 LYS 2 2HB LYS 2 -0.308 -4.101 -1.406 9 HB3 LYS 2 3HB LYS 2 0.729 -5.150 -2.364 10 HG2 LYS 2 2HG LYS 2 2.602 -3.752 -1.050 11 HG3 LYS 2 3HG LYS 2 1.293 -3.688 0.133 12 HD2 LYS 2 2HD LYS 2 1.775 -5.764 0.764 13 HD3 LYS 2 3HD LYS 2 1.424 -6.338 -0.868 14 HE2 LYS 2 2HE LYS 2 3.578 -6.986 -0.838 15 HE3 LYS 2 3HE LYS 2 3.896 -5.295 -1.219 16 HZ1 LYS 2 3HZ LYS 2 3.974 -4.971 1.287 17 HZ2 LYS 2 1HZ LYS 2 5.282 -5.773 0.573 18 HZ3 LYS 2 2HZ LYS 2 4.097 -6.655 1.396 19 H TYR 3 H TYR 3 0.610 -4.117 -5.132 20 HA TYR 3 HA TYR 3 -2.160 -3.177 -5.438 21 HB2 TYR 3 2HB TYR 3 0.000 -3.086 -7.554 22 HB3 TYR 3 3HB TYR 3 -1.700 -2.722 -7.829 23 HD1 TYR 3 HD1 TYR 3 -2.339 -1.129 -5.420 24 HD2 TYR 3 HD2 TYR 3 1.088 -1.058 -7.940 25 HE1 TYR 3 HE1 TYR 3 -1.940 1.218 -4.801 26 HE2 TYR 3 HE2 TYR 3 1.498 1.288 -7.327 27 HH TYR 3 HH TYR 3 0.967 2.901 -5.756 28 H THR 4 H THR 4 -3.561 -4.667 -6.153 29 HA THR 4 HA THR 4 -2.488 -7.309 -6.848 30 HB THR 4 HB THR 4 -5.347 -7.304 -6.529 31 HG1 THR 4 HG1 THR 4 -3.997 -6.468 -4.184 32 HG21 THR 4 3HG2 THR 4 -4.363 -8.674 -4.405 33 HG22 THR 4 1HG2 THR 4 -2.970 -8.693 -5.485 34 HG23 THR 4 2HG2 THR 4 -4.516 -9.343 -6.029 35 H GLY 5 H GLY 5 -2.481 -7.902 -8.910 36 HA2 GLY 5 2HA GLY 5 -4.667 -6.986 -10.652 37 HA3 GLY 5 3HA GLY 5 -3.004 -6.745 -11.164 38 H LYS 6 H LYS 6 -4.936 -8.234 -12.597 39 HA LYS 6 HA LYS 6 -3.895 -10.976 -12.312 40 HB2 LYS 6 2HB LYS 6 -6.546 -9.939 -13.286 41 HB3 LYS 6 3HB LYS 6 -5.986 -11.552 -13.707 42 HG2 LYS 6 2HG LYS 6 -6.442 -12.371 -11.679 43 HG3 LYS 6 3HG LYS 6 -5.814 -10.943 -10.853 44 HD2 LYS 6 2HD LYS 6 -7.841 -9.944 -10.762 45 HD3 LYS 6 3HD LYS 6 -8.336 -10.568 -12.337 46 HE2 LYS 6 2HE LYS 6 -9.746 -11.660 -10.832 47 HE3 LYS 6 3HE LYS 6 -8.485 -12.846 -11.167 48 HZ1 LYS 6 3HZ LYS 6 -7.754 -11.210 -8.972 49 HZ2 LYS 6 1HZ LYS 6 -7.940 -12.890 -9.034 50 HZ3 LYS 6 2HZ LYS 6 -9.272 -11.905 -8.696 51 H CYS 7 H CYS 7 -3.225 -12.093 -14.153 52 HA CYS 7 HA CYS 7 -2.907 -10.462 -16.585 53 HB2 CYS 7 2HB CYS 7 -0.683 -11.117 -16.853 54 HB3 CYS 7 3HB CYS 7 -0.804 -10.854 -15.117 55 H THR 8 H THR 8 -2.429 -11.821 -18.541 56 HA THR 8 HA THR 8 -3.945 -14.347 -18.414 57 HB THR 8 HB THR 8 -3.828 -13.168 -21.069 58 HG1 THR 8 HG1 THR 8 -3.897 -11.252 -19.646 59 HG21 THR 8 3HG2 THR 8 -6.125 -13.917 -19.256 60 HG22 THR 8 1HG2 THR 8 -5.337 -14.984 -20.416 61 HG23 THR 8 2HG2 THR 8 -6.241 -13.580 -20.983 62 H LYS 9 H LYS 9 -3.244 -16.076 -19.696 63 HA LYS 9 HA LYS 9 -0.405 -16.173 -20.112 64 HB2 LYS 9 2HB LYS 9 -0.698 -18.488 -20.546 65 HB3 LYS 9 3HB LYS 9 -1.835 -18.082 -19.266 66 HG2 LYS 9 2HG LYS 9 -3.665 -18.065 -20.815 67 HG3 LYS 9 3HG LYS 9 -2.565 -18.274 -22.180 68 HD2 LYS 9 2HD LYS 9 -2.939 -20.260 -19.939 69 HD3 LYS 9 3HD LYS 9 -3.701 -20.371 -21.528 70 HE2 LYS 9 2HE LYS 9 -0.750 -20.450 -20.914 71 HE3 LYS 9 3HE LYS 9 -1.751 -21.784 -21.484 72 HZ1 LYS 9 3HZ LYS 9 -1.034 -19.326 -22.983 73 HZ2 LYS 9 1HZ LYS 9 -2.160 -20.466 -23.524 74 HZ3 LYS 9 2HZ LYS 9 -0.540 -20.908 -23.321 75 H SER 10 H SER 10 -3.171 -15.531 -22.059 76 HA SER 10 HA SER 10 -1.948 -16.187 -24.574 77 HB2 SER 10 2HB SER 10 -4.505 -14.876 -23.726 78 HB3 SER 10 3HB SER 10 -3.967 -14.714 -25.398 79 HG SER 10 HG SER 10 -5.177 -16.785 -24.240 80 H LYS 11 H LYS 11 -2.678 -13.179 -22.833 81 HA LYS 11 HA LYS 11 -1.137 -11.651 -24.786 82 HB2 LYS 11 2HB LYS 11 -1.936 -9.678 -23.471 83 HB3 LYS 11 3HB LYS 11 -3.227 -10.654 -24.160 84 HG2 LYS 11 2HG LYS 11 -3.923 -11.426 -22.117 85 HG3 LYS 11 3HG LYS 11 -2.339 -11.202 -21.371 86 HD2 LYS 11 2HD LYS 11 -3.219 -9.354 -20.464 87 HD3 LYS 11 3HD LYS 11 -3.042 -8.642 -22.070 88 HE2 LYS 11 2HE LYS 11 -5.481 -10.244 -21.560 89 HE3 LYS 11 3HE LYS 11 -5.363 -8.684 -20.747 90 HZ1 LYS 11 3HZ LYS 11 -4.596 -8.222 -23.349 91 HZ2 LYS 11 1HZ LYS 11 -6.063 -7.782 -22.631 92 HZ3 LYS 11 2HZ LYS 11 -5.938 -9.245 -23.470 93 H ASN 12 H ASN 12 -0.674 -13.221 -21.840 94 HA ASN 12 HA ASN 12 0.956 -13.182 -20.244 95 HB2 ASN 12 2HB ASN 12 2.142 -13.246 -22.754 96 HB3 ASN 12 3HB ASN 12 3.028 -11.982 -21.906 97 HD21 ASN 12 1HD2 ASN 12 4.664 -12.603 -20.699 98 HD22 ASN 12 2HD2 ASN 12 4.923 -14.196 -20.081 99 H GLU 13 H GLU 13 -0.687 -10.825 -20.389 100 HA GLU 13 HA GLU 13 1.208 -8.865 -19.277 101 HB2 GLU 13 2HB GLU 13 0.366 -8.133 -21.489 102 HB3 GLU 13 3HB GLU 13 -1.278 -8.228 -20.875 103 HG2 GLU 13 2HG GLU 13 -0.417 -6.583 -19.061 104 HG3 GLU 13 3HG GLU 13 0.875 -6.271 -20.219 105 H CYS 14 H CYS 14 0.609 -7.840 -17.409 106 HA CYS 14 HA CYS 14 -1.744 -8.949 -16.058 107 HB2 CYS 14 2HB CYS 14 0.676 -8.974 -15.092 108 HB3 CYS 14 3HB CYS 14 0.358 -7.286 -14.705 109 H LYS 15 H LYS 15 -2.979 -7.489 -14.630 110 HA LYS 15 HA LYS 15 -2.947 -4.673 -15.393 111 HB2 LYS 15 2HB LYS 15 -4.481 -5.708 -16.994 112 HB3 LYS 15 3HB LYS 15 -5.389 -6.435 -15.675 113 HG2 LYS 15 2HG LYS 15 -5.062 -3.484 -15.685 114 HG3 LYS 15 3HG LYS 15 -6.175 -4.209 -16.847 115 HD2 LYS 15 2HD LYS 15 -7.677 -4.730 -15.259 116 HD3 LYS 15 3HD LYS 15 -6.433 -5.255 -14.122 117 HE2 LYS 15 2HE LYS 15 -6.346 -3.251 -13.106 118 HE3 LYS 15 3HE LYS 15 -6.490 -2.365 -14.624 119 HZ1 LYS 15 3HZ LYS 15 -8.691 -3.580 -13.048 120 HZ2 LYS 15 1HZ LYS 15 -8.890 -2.934 -14.599 121 HZ3 LYS 15 2HZ LYS 15 -8.416 -1.933 -13.320 122 H TYR 16 H TYR 16 -3.105 -3.478 -13.621 123 HA TYR 16 HA TYR 16 -4.719 -4.468 -11.374 124 HB2 TYR 16 2HB TYR 16 -3.037 -3.870 -9.774 125 HB3 TYR 16 3HB TYR 16 -2.275 -4.895 -10.984 126 HD1 TYR 16 HD1 TYR 16 -0.658 -3.968 -12.561 127 HD2 TYR 16 HD2 TYR 16 -2.446 -1.534 -9.564 128 HE1 TYR 16 HE1 TYR 16 1.060 -2.248 -12.941 129 HE2 TYR 16 HE2 TYR 16 -0.734 0.192 -9.936 130 HH TYR 16 HH TYR 16 0.928 0.644 -12.355 131 H LYS 17 H LYS 17 -5.237 -2.731 -9.794 132 HA LYS 17 HA LYS 17 -5.646 -0.180 -11.205 133 HB2 LYS 17 2HB LYS 17 -7.365 -1.844 -9.521 134 HB3 LYS 17 3HB LYS 17 -7.356 -0.153 -9.037 135 HG2 LYS 17 2HG LYS 17 -8.358 0.550 -10.961 136 HG3 LYS 17 3HG LYS 17 -7.705 -0.781 -11.919 137 HD2 LYS 17 2HD LYS 17 -9.260 -2.327 -10.865 138 HD3 LYS 17 3HD LYS 17 -9.882 -1.030 -9.842 139 HE2 LYS 17 2HE LYS 17 -10.274 0.122 -12.200 140 HE3 LYS 17 3HE LYS 17 -10.318 -1.557 -12.734 141 HZ1 LYS 17 3HZ LYS 17 -11.985 -1.886 -10.866 142 HZ2 LYS 17 1HZ LYS 17 -12.516 -1.027 -12.223 143 HZ3 LYS 17 2HZ LYS 17 -12.102 -0.199 -10.808 144 H ASN 18 H ASN 18 -4.604 1.549 -10.477 145 HA ASN 18 HA ASN 18 -2.997 1.399 -8.103 146 HB2 ASN 18 2HB ASN 18 -2.275 3.671 -8.712 147 HB3 ASN 18 3HB ASN 18 -2.181 2.577 -10.090 148 HD21 ASN 18 1HD2 ASN 18 -2.113 4.880 -11.013 149 HD22 ASN 18 2HD2 ASN 18 -3.633 5.518 -11.532 150 H ASP 19 H ASP 19 -3.013 3.525 -6.696 151 HA ASP 19 HA ASP 19 -5.316 3.464 -5.125 152 HB2 ASP 19 2HB ASP 19 -2.887 4.392 -4.667 153 HB3 ASP 19 3HB ASP 19 -3.612 5.919 -5.161 154 H ALA 20 H ALA 20 -4.609 5.242 -7.993 155 HA ALA 20 HA ALA 20 -6.540 7.314 -7.627 156 HB1 ALA 20 1HB ALA 20 -5.845 8.120 -9.635 157 HB2 ALA 20 2HB ALA 20 -4.462 7.089 -9.268 158 HB3 ALA 20 3HB ALA 20 -5.721 6.518 -10.363 159 H GLY 21 H GLY 21 -6.772 4.022 -8.403 160 HA2 GLY 21 2HA GLY 21 -8.789 2.835 -8.591 161 HA3 GLY 21 3HA GLY 21 -9.613 4.339 -8.974 162 H LYS 22 H LYS 22 -7.187 4.697 -10.931 163 HA LYS 22 HA LYS 22 -8.607 3.854 -13.245 164 HB2 LYS 22 2HB LYS 22 -5.956 5.131 -12.720 165 HB3 LYS 22 3HB LYS 22 -6.265 4.449 -14.312 166 HG2 LYS 22 2HG LYS 22 -8.189 5.885 -14.593 167 HG3 LYS 22 3HG LYS 22 -7.983 6.520 -12.959 168 HD2 LYS 22 2HD LYS 22 -5.531 7.002 -13.967 169 HD3 LYS 22 3HD LYS 22 -6.498 7.128 -15.438 170 HE2 LYS 22 2HE LYS 22 -8.035 8.612 -13.903 171 HE3 LYS 22 3HE LYS 22 -6.549 8.803 -12.973 172 HZ1 LYS 22 3HZ LYS 22 -5.915 10.333 -14.420 173 HZ2 LYS 22 1HZ LYS 22 -7.301 10.087 -15.358 174 HZ3 LYS 22 2HZ LYS 22 -5.907 9.177 -15.654 175 H ASP 23 H ASP 23 -8.022 2.294 -14.796 176 HA ASP 23 HA ASP 23 -6.714 -0.040 -13.644 177 HB2 ASP 23 2HB ASP 23 -7.547 -1.136 -15.792 178 HB3 ASP 23 3HB ASP 23 -8.780 -0.567 -14.669 179 H THR 24 H THR 24 -4.653 -0.479 -14.013 180 HA THR 24 HA THR 24 -3.403 0.584 -16.464 181 HB THR 24 HB THR 24 -1.850 -0.020 -13.961 182 HG1 THR 24 HG1 THR 24 -3.466 1.535 -13.434 183 HG21 THR 24 3HG2 THR 24 -1.246 0.932 -16.590 184 HG22 THR 24 1HG2 THR 24 -0.143 0.589 -15.257 185 HG23 THR 24 2HG2 THR 24 -0.862 2.192 -15.417 186 H PHE 25 H PHE 25 -2.554 -0.859 -17.815 187 HA PHE 25 HA PHE 25 -2.164 -3.610 -16.837 188 HB2 PHE 25 2HB PHE 25 -2.374 -4.175 -19.339 189 HB3 PHE 25 3HB PHE 25 -3.840 -3.713 -18.481 190 HD1 PHE 25 HD2 PHE 25 -1.277 -2.577 -20.867 191 HD2 PHE 25 HD1 PHE 25 -5.039 -1.749 -19.055 192 HE1 PHE 25 HE2 PHE 25 -1.681 -0.804 -22.524 193 HE2 PHE 25 HE1 PHE 25 -5.449 0.025 -20.710 194 HZ PHE 25 HZ PHE 25 -3.768 0.501 -22.446 195 H ILE 26 H ILE 26 -0.192 -4.483 -16.931 196 HA ILE 26 HA ILE 26 1.836 -3.199 -18.633 197 HB ILE 26 HB ILE 26 2.087 -2.524 -16.229 198 HG12 ILE 26 2HG1 ILE 26 4.546 -4.018 -16.566 199 HG13 ILE 26 3HG1 ILE 26 4.012 -3.331 -18.097 200 HG21 ILE 26 1HG2 ILE 26 2.764 -5.439 -15.857 201 HG22 ILE 26 2HG2 ILE 26 2.958 -4.171 -14.648 202 HG23 ILE 26 3HG2 ILE 26 1.346 -4.614 -15.209 203 HD11 ILE 26 3HD1 ILE 26 4.029 -1.129 -17.195 204 HD12 ILE 26 1HD1 ILE 26 4.307 -1.740 -15.564 205 HD13 ILE 26 2HD1 ILE 26 5.565 -1.894 -16.791 206 H LYS 27 H LYS 27 3.360 -4.546 -19.545 207 HA LYS 27 HA LYS 27 2.603 -7.234 -19.982 208 HB2 LYS 27 2HB LYS 27 4.929 -7.373 -21.046 209 HB3 LYS 27 3HB LYS 27 3.796 -6.216 -21.732 210 HG2 LYS 27 2HG LYS 27 5.434 -5.077 -19.616 211 HG3 LYS 27 3HG LYS 27 6.380 -5.694 -20.972 212 HD2 LYS 27 2HD LYS 27 4.937 -4.387 -22.509 213 HD3 LYS 27 3HD LYS 27 4.114 -3.705 -21.104 214 HE2 LYS 27 2HE LYS 27 5.880 -2.231 -22.038 215 HE3 LYS 27 3HE LYS 27 6.144 -2.667 -20.350 216 HZ1 LYS 27 3HZ LYS 27 7.385 -4.316 -22.432 217 HZ2 LYS 27 1HZ LYS 27 7.928 -3.967 -20.868 218 HZ3 LYS 27 2HZ LYS 27 8.069 -2.807 -22.090 219 H CYS 28 H CYS 28 3.608 -9.167 -19.351 220 HA CYS 28 HA CYS 28 4.968 -8.990 -16.760 221 HB2 CYS 28 2HB CYS 28 3.087 -10.872 -17.992 222 HB3 CYS 28 3HB CYS 28 4.433 -11.658 -17.174 223 HA PRO 29 HA PRO 29 8.830 -10.471 -18.218 224 HB2 PRO 29 2HB PRO 29 9.577 -12.210 -16.273 225 HB3 PRO 29 3HB PRO 29 9.558 -10.459 -16.039 226 HG2 PRO 29 2HG PRO 29 7.532 -12.503 -15.214 227 HG3 PRO 29 3HG PRO 29 8.156 -11.115 -14.303 228 HD2 PRO 29 2HD PRO 29 5.762 -11.070 -15.567 229 HD3 PRO 29 3HD PRO 29 6.774 -9.622 -15.386 230 H LYS 30 H LYS 30 9.478 -11.914 -19.694 231 HA LYS 30 HA LYS 30 7.905 -14.330 -20.079 232 HB2 LYS 30 2HB LYS 30 8.600 -12.704 -21.938 233 HB3 LYS 30 3HB LYS 30 10.205 -13.409 -21.792 234 HG2 LYS 30 2HG LYS 30 9.623 -15.243 -22.918 235 HG3 LYS 30 3HG LYS 30 8.096 -15.403 -22.047 236 HD2 LYS 30 2HD LYS 30 8.475 -13.299 -24.153 237 HD3 LYS 30 3HD LYS 30 8.018 -14.949 -24.580 238 HE2 LYS 30 2HE LYS 30 6.351 -14.154 -22.446 239 HE3 LYS 30 3HE LYS 30 6.383 -12.818 -23.596 240 HZ1 LYS 30 3HZ LYS 30 4.805 -13.999 -24.628 241 HZ2 LYS 30 1HZ LYS 30 5.217 -15.448 -23.858 242 HZ3 LYS 30 2HZ LYS 30 6.085 -14.935 -25.216 243 H PHE 31 H PHE 31 10.258 -13.711 -18.058 244 HA PHE 31 HA PHE 31 12.167 -15.764 -18.681 245 HB2 PHE 31 2HB PHE 31 11.785 -13.756 -16.550 246 HB3 PHE 31 3HB PHE 31 12.599 -15.235 -16.051 247 HD1 PHE 31 HD2 PHE 31 12.710 -13.062 -19.087 248 HD2 PHE 31 HD1 PHE 31 14.870 -14.994 -15.970 249 HE1 PHE 31 HE2 PHE 31 14.819 -12.213 -20.027 250 HE2 PHE 31 HE1 PHE 31 16.983 -14.147 -16.905 251 HZ PHE 31 HZ PHE 31 16.959 -12.756 -18.937 252 H ASP 32 H ASP 32 12.433 -17.754 -17.680 253 HA ASP 32 HA ASP 32 10.106 -19.181 -17.047 254 HB2 ASP 32 2HB ASP 32 13.031 -19.729 -16.893 255 HB3 ASP 32 3HB ASP 32 11.947 -20.808 -16.019 256 H ASN 33 H ASN 33 12.077 -17.155 -15.124 257 HA ASN 33 HA ASN 33 11.561 -18.331 -12.586 258 HB2 ASN 33 2HB ASN 33 13.360 -16.559 -13.330 259 HB3 ASN 33 3HB ASN 33 12.105 -15.403 -12.894 260 HD21 ASN 33 1HD2 ASN 33 12.799 -14.555 -11.049 261 HD22 ASN 33 2HD2 ASN 33 13.228 -15.452 -9.635 262 H LYS 34 H LYS 34 9.882 -16.021 -14.601 263 HA LYS 34 HA LYS 34 7.510 -16.287 -12.981 264 HB2 LYS 34 2HB LYS 34 9.103 -13.760 -13.067 265 HB3 LYS 34 3HB LYS 34 7.348 -13.651 -13.022 266 HG2 LYS 34 2HG LYS 34 7.506 -13.789 -10.816 267 HG3 LYS 34 3HG LYS 34 7.961 -15.481 -11.035 268 HD2 LYS 34 2HD LYS 34 10.352 -14.529 -11.372 269 HD3 LYS 34 3HD LYS 34 9.708 -13.092 -10.574 270 HE2 LYS 34 2HE LYS 34 8.829 -14.948 -8.868 271 HE3 LYS 34 3HE LYS 34 10.243 -15.798 -9.491 272 HZ1 LYS 34 3HZ LYS 34 11.491 -13.666 -8.974 273 HZ2 LYS 34 1HZ LYS 34 11.011 -14.610 -7.655 274 HZ3 LYS 34 2HZ LYS 34 10.143 -13.216 -8.057 275 H LYS 35 H LYS 35 5.829 -16.420 -14.308 276 HA LYS 35 HA LYS 35 5.463 -14.690 -16.544 277 HB2 LYS 35 2HB LYS 35 5.604 -16.284 -18.334 278 HB3 LYS 35 3HB LYS 35 7.127 -16.317 -17.456 279 HG2 LYS 35 2HG LYS 35 6.706 -18.399 -16.540 280 HG3 LYS 35 3HG LYS 35 4.963 -18.267 -16.789 281 HD2 LYS 35 2HD LYS 35 5.184 -19.396 -18.690 282 HD3 LYS 35 3HD LYS 35 6.164 -18.076 -19.332 283 HE2 LYS 35 2HE LYS 35 7.726 -19.692 -19.524 284 HE3 LYS 35 3HE LYS 35 8.001 -19.336 -17.820 285 HZ1 LYS 35 3HZ LYS 35 7.347 -21.768 -18.879 286 HZ2 LYS 35 1HZ LYS 35 5.898 -21.229 -18.192 287 HZ3 LYS 35 2HZ LYS 35 7.292 -21.345 -17.242 288 H CYS 36 H CYS 36 3.517 -15.529 -17.907 289 HA CYS 36 HA CYS 36 1.488 -16.405 -15.985 290 HB2 CYS 36 2HB CYS 36 1.223 -15.060 -18.681 291 HB3 CYS 36 3HB CYS 36 -0.134 -15.534 -17.663 292 H THR 37 H THR 37 0.913 -18.465 -16.004 293 HA THR 37 HA THR 37 1.309 -20.046 -18.440 294 HB THR 37 HB THR 37 0.757 -21.982 -16.808 295 HG1 THR 37 HG1 THR 37 0.538 -21.459 -14.769 296 HG21 THR 37 3HG2 THR 37 2.962 -21.770 -17.659 297 HG22 THR 37 1HG2 THR 37 3.124 -21.913 -15.910 298 HG23 THR 37 2HG2 THR 37 3.277 -20.336 -16.684 299 H LYS 38 H LYS 38 -1.155 -18.947 -16.215 300 HA LYS 38 HA LYS 38 -3.195 -20.157 -17.964 301 HB2 LYS 38 2HB LYS 38 -2.819 -20.933 -15.413 302 HB3 LYS 38 3HB LYS 38 -3.911 -19.581 -15.144 303 HG2 LYS 38 2HG LYS 38 -5.560 -21.024 -15.506 304 HG3 LYS 38 3HG LYS 38 -5.107 -20.954 -17.210 305 HD2 LYS 38 2HD LYS 38 -4.776 -23.159 -17.059 306 HD3 LYS 38 3HD LYS 38 -3.315 -22.763 -16.153 307 HE2 LYS 38 2HE LYS 38 -4.750 -22.762 -14.077 308 HE3 LYS 38 3HE LYS 38 -6.039 -23.445 -15.067 309 HZ1 LYS 38 3HZ LYS 38 -3.849 -24.758 -13.870 310 HZ2 LYS 38 1HZ LYS 38 -3.770 -24.963 -15.547 311 HZ3 LYS 38 2HZ LYS 38 -5.159 -25.428 -14.703 312 H ASP 39 H ASP 39 -5.140 -18.964 -18.236 313 HA ASP 39 HA ASP 39 -4.722 -16.133 -18.346 314 HB2 ASP 39 2HB ASP 39 -7.088 -16.114 -19.223 315 HB3 ASP 39 3HB ASP 39 -5.965 -17.122 -20.132 316 H ASN 40 H ASN 40 -6.028 -14.516 -17.349 317 HA ASN 40 HA ASN 40 -7.086 -13.502 -15.608 318 HB2 ASN 40 2HB ASN 40 -8.869 -15.218 -16.213 319 HB3 ASN 40 3HB ASN 40 -8.244 -16.195 -14.888 320 HD21 ASN 40 1HD2 ASN 40 -8.841 -15.738 -12.855 321 HD22 ASN 40 2HD2 ASN 40 -9.862 -14.419 -12.406 322 H ASN 41 H ASN 41 -4.546 -15.281 -15.347 323 HA ASN 41 HA ASN 41 -4.325 -16.264 -12.760 324 HB2 ASN 41 2HB ASN 41 -2.528 -15.588 -14.923 325 HB3 ASN 41 3HB ASN 41 -1.818 -15.160 -13.370 326 HD21 ASN 41 1HD2 ASN 41 -0.963 -17.206 -15.185 327 HD22 ASN 41 2HD2 ASN 41 -1.072 -18.708 -14.340 328 H LYS 42 H LYS 42 -2.572 -15.182 -11.208 329 HA LYS 42 HA LYS 42 -3.396 -12.388 -10.767 330 HB2 LYS 42 2HB LYS 42 -4.144 -14.477 -9.173 331 HB3 LYS 42 3HB LYS 42 -2.676 -13.937 -8.370 332 HG2 LYS 42 2HG LYS 42 -5.017 -12.170 -9.048 333 HG3 LYS 42 3HG LYS 42 -4.713 -12.893 -7.467 334 HD2 LYS 42 2HD LYS 42 -2.985 -10.894 -8.920 335 HD3 LYS 42 3HD LYS 42 -3.916 -10.625 -7.445 336 HE2 LYS 42 2HE LYS 42 -2.400 -12.743 -6.709 337 HE3 LYS 42 3HE LYS 42 -1.308 -11.935 -7.833 338 HZ1 LYS 42 3HZ LYS 42 -0.932 -11.095 -5.642 339 HZ2 LYS 42 1HZ LYS 42 -2.573 -10.748 -5.425 340 HZ3 LYS 42 2HZ LYS 42 -1.666 -9.871 -6.551 341 H CYS 43 H CYS 43 -1.814 -10.956 -10.309 342 HA CYS 43 HA CYS 43 0.882 -12.001 -9.767 343 HB2 CYS 43 2HB CYS 43 1.878 -10.512 -11.330 344 HB3 CYS 43 3HB CYS 43 0.548 -11.293 -12.180 345 H THR 44 H THR 44 2.358 -9.982 -9.217 346 HA THR 44 HA THR 44 0.879 -8.124 -7.491 347 HB THR 44 HB THR 44 3.337 -8.778 -6.194 348 HG1 THR 44 HG1 THR 44 1.701 -10.995 -6.909 349 HG21 THR 44 3HG2 THR 44 1.804 -8.038 -4.703 350 HG22 THR 44 1HG2 THR 44 1.414 -9.752 -4.564 351 HG23 THR 44 2HG2 THR 44 0.446 -8.709 -5.606 352 H VAL 45 H VAL 45 1.774 -6.103 -7.279 353 HA VAL 45 HA VAL 45 4.415 -5.578 -8.388 354 HB VAL 45 HB VAL 45 1.946 -4.196 -9.447 355 HG11 VAL 45 1HG1 VAL 45 4.854 -3.770 -10.126 356 HG12 VAL 45 2HG1 VAL 45 3.481 -2.972 -10.895 357 HG13 VAL 45 3HG1 VAL 45 3.840 -2.668 -9.195 358 HG21 VAL 45 3HG2 VAL 45 2.756 -5.158 -11.630 359 HG22 VAL 45 1HG2 VAL 45 3.859 -6.161 -10.687 360 HG23 VAL 45 2HG2 VAL 45 2.116 -6.330 -10.477 361 H ASP 46 H ASP 46 5.453 -4.187 -7.125 362 HA ASP 46 HA ASP 46 3.863 -2.318 -5.491 363 HB2 ASP 46 2HB ASP 46 5.895 -4.269 -4.717 364 HB3 ASP 46 3HB ASP 46 6.249 -2.647 -4.127 365 H THR 47 H THR 47 4.377 -0.223 -5.625 366 HA THR 47 HA THR 47 6.481 0.569 -7.453 367 HB THR 47 HB THR 47 5.289 2.842 -6.217 368 HG1 THR 47 HG1 THR 47 3.553 1.545 -5.599 369 HG21 THR 47 3HG2 THR 47 6.114 2.814 -8.488 370 HG22 THR 47 1HG2 THR 47 4.393 3.198 -8.505 371 HG23 THR 47 2HG2 THR 47 4.940 1.577 -8.936 372 H TYR 48 H TYR 48 6.046 0.255 -4.075 373 HA TYR 48 HA TYR 48 8.052 2.208 -3.352 374 HB2 TYR 48 2HB TYR 48 6.021 1.564 -1.938 375 HB3 TYR 48 3HB TYR 48 6.892 0.085 -1.551 376 HD1 TYR 48 HD2 TYR 48 8.134 3.586 -1.881 377 HD2 TYR 48 HD1 TYR 48 7.480 0.260 0.690 378 HE1 TYR 48 HE2 TYR 48 9.314 4.760 -0.071 379 HE2 TYR 48 HE1 TYR 48 8.658 1.425 2.508 380 HH TYR 48 HH TYR 48 10.584 3.426 2.467 381 H ASN 49 H ASN 49 7.787 -1.306 -3.592 382 HA ASN 49 HA ASN 49 10.642 -1.552 -2.955 383 HB2 ASN 49 2HB ASN 49 8.312 -3.420 -2.804 384 HB3 ASN 49 3HB ASN 49 9.922 -4.095 -3.037 385 HD21 ASN 49 1HD2 ASN 49 10.090 -5.055 -1.067 386 HD22 ASN 49 2HD2 ASN 49 10.187 -4.178 0.419 387 H ASN 50 H ASN 50 8.646 -1.266 -5.579 388 HA ASN 50 HA ASN 50 8.818 -1.730 -7.803 389 HB2 ASN 50 2HB ASN 50 11.138 -0.603 -7.042 390 HB3 ASN 50 3HB ASN 50 11.752 -2.147 -7.624 391 HD21 ASN 50 1HD2 ASN 50 11.374 0.888 -8.527 392 HD22 ASN 50 2HD2 ASN 50 11.083 0.700 -10.220 393 H ALA 51 H ALA 51 8.541 -3.992 -5.924 394 HA ALA 51 HA ALA 51 9.924 -6.138 -7.364 395 HB1 ALA 51 1HB ALA 51 8.621 -5.941 -4.686 396 HB2 ALA 51 2HB ALA 51 8.800 -7.518 -5.455 397 HB3 ALA 51 3HB ALA 51 10.225 -6.536 -5.116 398 H VAL 52 H VAL 52 8.906 -7.262 -8.880 399 HA VAL 52 HA VAL 52 5.959 -7.339 -8.838 400 HB VAL 52 HB VAL 52 6.480 -5.975 -10.685 401 HG11 VAL 52 1HG1 VAL 52 8.766 -6.133 -11.012 402 HG12 VAL 52 2HG1 VAL 52 8.731 -7.893 -11.131 403 HG13 VAL 52 3HG1 VAL 52 8.125 -6.906 -12.461 404 HG21 VAL 52 3HG2 VAL 52 6.284 -8.705 -11.933 405 HG22 VAL 52 1HG2 VAL 52 4.935 -7.941 -11.093 406 HG23 VAL 52 2HG2 VAL 52 5.624 -7.181 -12.527 407 H ASP 53 H ASP 53 4.972 -9.273 -9.235 408 HA ASP 53 HA ASP 53 6.636 -11.571 -9.963 409 HB2 ASP 53 2HB ASP 53 6.124 -11.171 -7.360 410 HB3 ASP 53 3HB ASP 53 4.647 -12.024 -7.802 411 H CYS 54 H CYS 54 5.719 -12.597 -11.601 412 HA CYS 54 HA CYS 54 2.833 -12.294 -12.030 413 HB2 CYS 54 2HB CYS 54 4.704 -11.777 -13.802 414 HB3 CYS 54 3HB CYS 54 4.676 -13.520 -14.046 415 H ASP 55 H ASP 55 1.465 -13.967 -11.899 416 HA ASP 55 HA ASP 55 2.067 -16.312 -10.587 417 HB2 ASP 55 2HB ASP 55 -0.209 -15.194 -11.892 418 HB3 ASP 55 3HB ASP 55 -0.065 -16.876 -12.393 Start of MODEL 15 1 H1 ALA 1 H ALA 1 1.969 -0.741 0.141 2 HA ALA 1 HA ALA 1 2.505 0.314 -2.553 3 HB1 ALA 1 1HB ALA 1 4.580 -1.304 -1.234 4 HB2 ALA 1 2HB ALA 1 4.717 0.200 -2.145 5 HB3 ALA 1 3HB ALA 1 4.204 0.234 -0.458 6 H LYS 2 H LYS 2 0.596 -1.852 -1.760 7 HA LYS 2 HA LYS 2 1.717 -3.970 -3.474 8 HB2 LYS 2 2HB LYS 2 0.394 -4.155 -0.825 9 HB3 LYS 2 3HB LYS 2 -0.054 -5.371 -2.014 10 HG2 LYS 2 2HG LYS 2 2.495 -5.683 -2.306 11 HG3 LYS 2 3HG LYS 2 2.604 -4.855 -0.751 12 HD2 LYS 2 2HD LYS 2 2.023 -6.708 0.336 13 HD3 LYS 2 3HD LYS 2 0.574 -6.890 -0.657 14 HE2 LYS 2 2HE LYS 2 2.037 -7.905 -2.426 15 HE3 LYS 2 3HE LYS 2 3.351 -7.898 -1.251 16 HZ1 LYS 2 3HZ LYS 2 1.513 -9.882 -1.593 17 HZ2 LYS 2 1HZ LYS 2 0.967 -9.080 -0.207 18 HZ3 LYS 2 2HZ LYS 2 2.540 -9.699 -0.261 19 H TYR 3 H TYR 3 0.584 -4.307 -5.263 20 HA TYR 3 HA TYR 3 -2.273 -3.584 -5.274 21 HB2 TYR 3 2HB TYR 3 -0.242 -3.220 -7.485 22 HB3 TYR 3 3HB TYR 3 -1.975 -2.984 -7.680 23 HD1 TYR 3 HD2 TYR 3 -3.018 -1.342 -5.824 24 HD2 TYR 3 HD1 TYR 3 1.036 -1.341 -7.116 25 HE1 TYR 3 HE2 TYR 3 -2.787 0.991 -5.080 26 HE2 TYR 3 HE1 TYR 3 1.278 0.992 -6.375 27 HH TYR 3 HH TYR 3 -1.397 2.702 -4.787 28 H THR 4 H THR 4 -3.658 -5.086 -5.994 29 HA THR 4 HA THR 4 -2.544 -7.643 -6.881 30 HB THR 4 HB THR 4 -5.430 -7.597 -6.503 31 HG1 THR 4 HG1 THR 4 -5.265 -6.192 -4.870 32 HG21 THR 4 3HG2 THR 4 -5.053 -9.661 -5.653 33 HG22 THR 4 1HG2 THR 4 -3.671 -9.130 -4.696 34 HG23 THR 4 2HG2 THR 4 -3.476 -9.459 -6.417 35 H GLY 5 H GLY 5 -2.595 -8.203 -8.954 36 HA2 GLY 5 2HA GLY 5 -4.769 -7.171 -10.647 37 HA3 GLY 5 3HA GLY 5 -3.102 -6.969 -11.166 38 H LYS 6 H LYS 6 -5.001 -8.320 -12.694 39 HA LYS 6 HA LYS 6 -4.110 -11.120 -12.460 40 HB2 LYS 6 2HB LYS 6 -6.600 -10.114 -13.845 41 HB3 LYS 6 3HB LYS 6 -6.150 -11.792 -13.569 42 HG2 LYS 6 2HG LYS 6 -6.976 -11.791 -11.497 43 HG3 LYS 6 3HG LYS 6 -6.283 -10.211 -11.122 44 HD2 LYS 6 2HD LYS 6 -8.783 -10.673 -12.748 45 HD3 LYS 6 3HD LYS 6 -8.748 -10.207 -11.046 46 HE2 LYS 6 2HE LYS 6 -7.228 -8.260 -11.964 47 HE3 LYS 6 3HE LYS 6 -8.066 -8.619 -13.473 48 HZ1 LYS 6 3HZ LYS 6 -10.041 -8.526 -11.578 49 HZ2 LYS 6 1HZ LYS 6 -9.684 -7.326 -12.716 50 HZ3 LYS 6 2HZ LYS 6 -9.016 -7.245 -11.164 51 H CYS 7 H CYS 7 -3.149 -12.084 -14.176 52 HA CYS 7 HA CYS 7 -2.906 -10.503 -16.651 53 HB2 CYS 7 2HB CYS 7 -0.630 -10.902 -16.798 54 HB3 CYS 7 3HB CYS 7 -0.836 -10.726 -15.058 55 H THR 8 H THR 8 -2.315 -11.828 -18.566 56 HA THR 8 HA THR 8 -3.676 -14.437 -18.443 57 HB THR 8 HB THR 8 -3.494 -13.781 -21.127 58 HG1 THR 8 HG1 THR 8 -4.510 -11.588 -21.001 59 HG21 THR 8 3HG2 THR 8 -5.750 -14.006 -21.063 60 HG22 THR 8 1HG2 THR 8 -5.931 -12.894 -19.708 61 HG23 THR 8 2HG2 THR 8 -5.425 -14.559 -19.420 62 H LYS 9 H LYS 9 -2.789 -16.218 -19.503 63 HA LYS 9 HA LYS 9 0.076 -16.258 -19.607 64 HB2 LYS 9 2HB LYS 9 -0.122 -18.603 -19.957 65 HB3 LYS 9 3HB LYS 9 -1.384 -18.159 -18.814 66 HG2 LYS 9 2HG LYS 9 -2.805 -17.951 -21.042 67 HG3 LYS 9 3HG LYS 9 -1.600 -19.108 -21.613 68 HD2 LYS 9 2HD LYS 9 -3.353 -19.414 -19.174 69 HD3 LYS 9 3HD LYS 9 -3.548 -20.261 -20.711 70 HE2 LYS 9 2HE LYS 9 -1.152 -20.461 -18.887 71 HE3 LYS 9 3HE LYS 9 -2.445 -21.653 -19.010 72 HZ1 LYS 9 3HZ LYS 9 -1.852 -22.009 -21.322 73 HZ2 LYS 9 1HZ LYS 9 -0.517 -22.287 -20.322 74 HZ3 LYS 9 2HZ LYS 9 -0.621 -20.855 -21.214 75 H SER 10 H SER 10 -2.459 -15.782 -21.883 76 HA SER 10 HA SER 10 -0.860 -16.485 -24.190 77 HB2 SER 10 2HB SER 10 -3.477 -16.604 -23.880 78 HB3 SER 10 3HB SER 10 -3.404 -14.920 -24.401 79 HG SER 10 HG SER 10 -2.391 -17.171 -25.805 80 H LYS 11 H LYS 11 -2.178 -13.517 -22.752 81 HA LYS 11 HA LYS 11 -0.658 -11.876 -24.611 82 HB2 LYS 11 2HB LYS 11 -3.071 -11.541 -23.264 83 HB3 LYS 11 3HB LYS 11 -1.967 -10.447 -22.442 84 HG2 LYS 11 2HG LYS 11 -1.362 -9.516 -24.687 85 HG3 LYS 11 3HG LYS 11 -2.673 -10.485 -25.364 86 HD2 LYS 11 2HD LYS 11 -3.382 -8.831 -23.030 87 HD3 LYS 11 3HD LYS 11 -2.963 -7.942 -24.496 88 HE2 LYS 11 2HE LYS 11 -4.668 -9.029 -25.741 89 HE3 LYS 11 3HE LYS 11 -4.949 -10.203 -24.456 90 HZ1 LYS 11 3HZ LYS 11 -5.482 -8.042 -23.105 91 HZ2 LYS 11 1HZ LYS 11 -6.656 -8.762 -24.088 92 HZ3 LYS 11 2HZ LYS 11 -5.806 -7.409 -24.640 93 H ASN 12 H ASN 12 -0.275 -13.248 -21.528 94 HA ASN 12 HA ASN 12 1.209 -12.941 -19.820 95 HB2 ASN 12 2HB ASN 12 2.619 -13.498 -21.941 96 HB3 ASN 12 3HB ASN 12 3.124 -11.814 -21.841 97 HD21 ASN 12 1HD2 ASN 12 5.010 -13.702 -21.645 98 HD22 ASN 12 2HD2 ASN 12 5.594 -13.824 -20.023 99 H GLU 13 H GLU 13 -0.560 -10.840 -19.970 100 HA GLU 13 HA GLU 13 1.128 -8.614 -19.065 101 HB2 GLU 13 2HB GLU 13 0.448 -7.907 -21.232 102 HB3 GLU 13 3HB GLU 13 -1.200 -8.462 -20.974 103 HG2 GLU 13 2HG GLU 13 -1.517 -6.721 -19.284 104 HG3 GLU 13 3HG GLU 13 0.129 -6.157 -19.567 105 H CYS 14 H CYS 14 0.586 -7.899 -17.111 106 HA CYS 14 HA CYS 14 -1.873 -8.892 -15.893 107 HB2 CYS 14 2HB CYS 14 0.524 -8.965 -14.849 108 HB3 CYS 14 3HB CYS 14 0.194 -7.287 -14.430 109 H LYS 15 H LYS 15 -3.110 -7.414 -14.471 110 HA LYS 15 HA LYS 15 -3.012 -4.600 -15.257 111 HB2 LYS 15 2HB LYS 15 -5.371 -4.516 -15.789 112 HB3 LYS 15 3HB LYS 15 -4.589 -5.717 -16.808 113 HG2 LYS 15 2HG LYS 15 -6.336 -6.988 -16.211 114 HG3 LYS 15 3HG LYS 15 -5.384 -7.271 -14.752 115 HD2 LYS 15 2HD LYS 15 -7.278 -6.594 -13.721 116 HD3 LYS 15 3HD LYS 15 -6.631 -4.987 -14.060 117 HE2 LYS 15 2HE LYS 15 -7.952 -4.881 -16.109 118 HE3 LYS 15 3HE LYS 15 -8.576 -6.501 -15.802 119 HZ1 LYS 15 3HZ LYS 15 -10.159 -5.631 -14.548 120 HZ2 LYS 15 1HZ LYS 15 -9.593 -4.074 -14.890 121 HZ3 LYS 15 2HZ LYS 15 -9.018 -4.904 -13.533 122 H TYR 16 H TYR 16 -3.167 -3.354 -13.518 123 HA TYR 16 HA TYR 16 -4.855 -4.180 -11.281 124 HB2 TYR 16 2HB TYR 16 -3.108 -3.762 -9.636 125 HB3 TYR 16 3HB TYR 16 -2.589 -5.014 -10.760 126 HD1 TYR 16 HD2 TYR 16 -0.884 -4.498 -12.482 127 HD2 TYR 16 HD1 TYR 16 -1.948 -1.679 -9.478 128 HE1 TYR 16 HE2 TYR 16 1.168 -3.226 -12.956 129 HE2 TYR 16 HE1 TYR 16 0.100 -0.399 -9.944 130 HH TYR 16 HH TYR 16 2.052 -0.383 -11.041 131 H LYS 17 H LYS 17 -5.130 -2.403 -9.679 132 HA LYS 17 HA LYS 17 -5.329 0.148 -11.100 133 HB2 LYS 17 2HB LYS 17 -6.693 -0.993 -8.675 134 HB3 LYS 17 3HB LYS 17 -6.749 0.731 -9.019 135 HG2 LYS 17 2HG LYS 17 -7.856 0.340 -11.108 136 HG3 LYS 17 3HG LYS 17 -7.655 -1.405 -10.936 137 HD2 LYS 17 2HD LYS 17 -8.985 -0.183 -8.650 138 HD3 LYS 17 3HD LYS 17 -9.860 0.060 -10.164 139 HE2 LYS 17 2HE LYS 17 -10.062 -2.250 -10.541 140 HE3 LYS 17 3HE LYS 17 -8.823 -2.638 -9.349 141 HZ1 LYS 17 3HZ LYS 17 -10.365 -2.769 -7.784 142 HZ2 LYS 17 1HZ LYS 17 -11.562 -2.542 -8.959 143 HZ3 LYS 17 2HZ LYS 17 -10.932 -1.212 -8.124 144 H ASN 18 H ASN 18 -3.967 1.756 -10.695 145 HA ASN 18 HA ASN 18 -1.975 1.515 -8.646 146 HB2 ASN 18 2HB ASN 18 -0.933 3.360 -9.635 147 HB3 ASN 18 3HB ASN 18 -1.747 2.591 -10.994 148 HD21 ASN 18 1HD2 ASN 18 -3.970 3.434 -11.449 149 HD22 ASN 18 2HD2 ASN 18 -4.203 5.142 -11.324 150 H ASP 19 H ASP 19 -1.549 3.984 -7.660 151 HA ASP 19 HA ASP 19 -3.267 4.165 -5.485 152 HB2 ASP 19 2HB ASP 19 -2.151 6.211 -4.926 153 HB3 ASP 19 3HB ASP 19 -0.956 5.142 -5.656 154 H ALA 20 H ALA 20 -3.374 5.809 -8.594 155 HA ALA 20 HA ALA 20 -5.431 7.645 -7.915 156 HB1 ALA 20 1HB ALA 20 -5.250 8.395 -10.044 157 HB2 ALA 20 2HB ALA 20 -3.743 7.480 -9.982 158 HB3 ALA 20 3HB ALA 20 -5.175 6.771 -10.728 159 H GLY 21 H GLY 21 -5.468 4.308 -8.385 160 HA2 GLY 21 2HA GLY 21 -7.287 2.875 -8.168 161 HA3 GLY 21 3HA GLY 21 -8.358 4.265 -8.268 162 H LYS 22 H LYS 22 -6.349 4.648 -10.792 163 HA LYS 22 HA LYS 22 -8.324 3.766 -12.683 164 HB2 LYS 22 2HB LYS 22 -5.560 4.892 -13.173 165 HB3 LYS 22 3HB LYS 22 -6.838 4.727 -14.370 166 HG2 LYS 22 2HG LYS 22 -8.058 6.476 -13.510 167 HG3 LYS 22 3HG LYS 22 -7.339 6.328 -11.905 168 HD2 LYS 22 2HD LYS 22 -5.282 7.283 -12.665 169 HD3 LYS 22 3HD LYS 22 -5.817 7.230 -14.347 170 HE2 LYS 22 2HE LYS 22 -7.349 8.966 -14.035 171 HE3 LYS 22 3HE LYS 22 -7.337 8.784 -12.281 172 HZ1 LYS 22 3HZ LYS 22 -6.099 10.713 -12.784 173 HZ2 LYS 22 1HZ LYS 22 -5.209 9.933 -13.994 174 HZ3 LYS 22 2HZ LYS 22 -4.963 9.529 -12.370 175 H ASP 23 H ASP 23 -8.330 1.977 -13.913 176 HA ASP 23 HA ASP 23 -6.653 -0.203 -13.256 177 HB2 ASP 23 2HB ASP 23 -8.608 0.246 -15.512 178 HB3 ASP 23 3HB ASP 23 -7.742 -1.272 -15.288 179 H THR 24 H THR 24 -4.656 -0.616 -13.903 180 HA THR 24 HA THR 24 -3.767 0.439 -16.508 181 HB THR 24 HB THR 24 -1.911 0.123 -14.157 182 HG1 THR 24 HG1 THR 24 -3.591 2.294 -14.851 183 HG21 THR 24 3HG2 THR 24 -0.524 0.407 -15.934 184 HG22 THR 24 1HG2 THR 24 -0.901 2.107 -15.657 185 HG23 THR 24 2HG2 THR 24 -1.758 1.206 -16.908 186 H PHE 25 H PHE 25 -2.731 -0.952 -17.829 187 HA PHE 25 HA PHE 25 -2.238 -3.664 -16.793 188 HB2 PHE 25 2HB PHE 25 -2.443 -4.321 -19.253 189 HB3 PHE 25 3HB PHE 25 -3.924 -3.820 -18.443 190 HD1 PHE 25 HD1 PHE 25 -4.946 -1.660 -18.946 191 HD2 PHE 25 HD2 PHE 25 -1.487 -3.022 -21.019 192 HE1 PHE 25 HE1 PHE 25 -5.327 0.035 -20.689 193 HE2 PHE 25 HE2 PHE 25 -1.862 -1.329 -22.764 194 HZ PHE 25 HZ PHE 25 -3.783 0.203 -22.601 195 H ILE 26 H ILE 26 -0.244 -4.496 -16.907 196 HA ILE 26 HA ILE 26 1.747 -3.134 -18.593 197 HB ILE 26 HB ILE 26 1.975 -2.487 -16.179 198 HG12 ILE 26 2HG1 ILE 26 4.477 -3.903 -16.534 199 HG13 ILE 26 3HG1 ILE 26 3.926 -3.212 -18.056 200 HG21 ILE 26 1HG2 ILE 26 2.894 -4.132 -14.622 201 HG22 ILE 26 2HG2 ILE 26 1.294 -4.608 -15.189 202 HG23 ILE 26 3HG2 ILE 26 2.731 -5.388 -15.849 203 HD11 ILE 26 3HD1 ILE 26 4.102 -1.615 -15.522 204 HD12 ILE 26 1HD1 ILE 26 5.445 -1.776 -16.653 205 HD13 ILE 26 2HD1 ILE 26 3.936 -1.029 -17.177 206 H LYS 27 H LYS 27 3.301 -4.423 -19.532 207 HA LYS 27 HA LYS 27 2.624 -7.131 -19.989 208 HB2 LYS 27 2HB LYS 27 4.932 -7.183 -21.093 209 HB3 LYS 27 3HB LYS 27 3.754 -6.053 -21.746 210 HG2 LYS 27 2HG LYS 27 5.396 -4.893 -19.641 211 HG3 LYS 27 3HG LYS 27 6.331 -5.459 -21.027 212 HD2 LYS 27 2HD LYS 27 4.822 -4.172 -22.513 213 HD3 LYS 27 3HD LYS 27 4.001 -3.542 -21.083 214 HE2 LYS 27 2HE LYS 27 5.689 -2.127 -20.576 215 HE3 LYS 27 3HE LYS 27 6.935 -3.249 -21.120 216 HZ1 LYS 27 3HZ LYS 27 6.642 -2.600 -23.335 217 HZ2 LYS 27 1HZ LYS 27 6.626 -1.149 -22.464 218 HZ3 LYS 27 2HZ LYS 27 5.176 -1.819 -23.020 219 H CYS 28 H CYS 28 3.649 -9.033 -19.350 220 HA CYS 28 HA CYS 28 5.124 -8.811 -16.823 221 HB2 CYS 28 2HB CYS 28 3.264 -10.818 -17.982 222 HB3 CYS 28 3HB CYS 28 4.559 -11.431 -16.958 223 HA PRO 29 HA PRO 29 8.881 -10.346 -18.488 224 HB2 PRO 29 2HB PRO 29 9.781 -11.942 -16.484 225 HB3 PRO 29 3HB PRO 29 9.767 -10.178 -16.375 226 HG2 PRO 29 2HG PRO 29 7.821 -12.160 -15.258 227 HG3 PRO 29 3HG PRO 29 8.502 -10.710 -14.497 228 HD2 PRO 29 2HD PRO 29 6.021 -10.758 -15.581 229 HD3 PRO 29 3HD PRO 29 7.034 -9.300 -15.578 230 H LYS 30 H LYS 30 9.528 -11.934 -19.828 231 HA LYS 30 HA LYS 30 7.907 -14.352 -19.963 232 HB2 LYS 30 2HB LYS 30 9.688 -12.879 -21.833 233 HB3 LYS 30 3HB LYS 30 9.552 -14.618 -22.058 234 HG2 LYS 30 2HG LYS 30 7.105 -14.380 -22.209 235 HG3 LYS 30 3HG LYS 30 7.290 -12.630 -22.068 236 HD2 LYS 30 2HD LYS 30 7.271 -12.756 -24.331 237 HD3 LYS 30 3HD LYS 30 8.988 -13.086 -24.090 238 HE2 LYS 30 2HE LYS 30 7.778 -15.565 -23.826 239 HE3 LYS 30 3HE LYS 30 6.892 -14.797 -25.142 240 HZ1 LYS 30 3HZ LYS 30 8.712 -15.926 -26.101 241 HZ2 LYS 30 1HZ LYS 30 9.809 -15.296 -24.977 242 HZ3 LYS 30 2HZ LYS 30 9.114 -14.284 -26.141 243 H PHE 31 H PHE 31 10.381 -13.582 -18.140 244 HA PHE 31 HA PHE 31 12.234 -15.705 -18.705 245 HB2 PHE 31 2HB PHE 31 11.954 -13.861 -16.324 246 HB3 PHE 31 3HB PHE 31 13.264 -15.020 -16.530 247 HD1 PHE 31 HD1 PHE 31 14.710 -14.791 -18.632 248 HD2 PHE 31 HD2 PHE 31 12.128 -11.724 -17.205 249 HE1 PHE 31 HE1 PHE 31 15.984 -13.125 -19.919 250 HE2 PHE 31 HE2 PHE 31 13.396 -10.053 -18.489 251 HZ PHE 31 HZ PHE 31 15.327 -10.752 -19.849 252 H ASP 32 H ASP 32 12.568 -17.590 -17.522 253 HA ASP 32 HA ASP 32 10.286 -18.942 -16.630 254 HB2 ASP 32 2HB ASP 32 13.158 -19.484 -16.801 255 HB3 ASP 32 3HB ASP 32 12.372 -20.312 -15.459 256 H ASN 33 H ASN 33 12.329 -16.727 -15.019 257 HA ASN 33 HA ASN 33 11.941 -17.640 -12.352 258 HB2 ASN 33 2HB ASN 33 13.809 -16.212 -12.769 259 HB3 ASN 33 3HB ASN 33 12.786 -14.978 -13.498 260 HD21 ASN 33 1HD2 ASN 33 12.475 -16.829 -10.495 261 HD22 ASN 33 2HD2 ASN 33 12.406 -15.454 -9.452 262 H LYS 34 H LYS 34 10.153 -15.557 -14.513 263 HA LYS 34 HA LYS 34 7.868 -15.647 -12.750 264 HB2 LYS 34 2HB LYS 34 9.587 -13.323 -12.840 265 HB3 LYS 34 3HB LYS 34 7.972 -12.922 -13.408 266 HG2 LYS 34 2HG LYS 34 7.013 -13.286 -11.377 267 HG3 LYS 34 3HG LYS 34 8.205 -14.499 -10.906 268 HD2 LYS 34 2HD LYS 34 9.183 -11.727 -11.274 269 HD3 LYS 34 3HD LYS 34 8.153 -12.032 -9.872 270 HE2 LYS 34 2HE LYS 34 9.643 -13.651 -9.012 271 HE3 LYS 34 3HE LYS 34 10.538 -13.742 -10.528 272 HZ1 LYS 34 3HZ LYS 34 10.447 -11.380 -8.730 273 HZ2 LYS 34 1HZ LYS 34 11.334 -11.501 -10.165 274 HZ3 LYS 34 2HZ LYS 34 11.731 -12.476 -8.842 275 H LYS 35 H LYS 35 6.120 -15.938 -13.959 276 HA LYS 35 HA LYS 35 5.605 -14.479 -16.349 277 HB2 LYS 35 2HB LYS 35 5.699 -16.246 -17.967 278 HB3 LYS 35 3HB LYS 35 7.261 -16.171 -17.163 279 HG2 LYS 35 2HG LYS 35 6.741 -18.097 -15.838 280 HG3 LYS 35 3HG LYS 35 5.081 -18.116 -16.437 281 HD2 LYS 35 2HD LYS 35 5.771 -19.502 -18.039 282 HD3 LYS 35 3HD LYS 35 6.674 -18.150 -18.726 283 HE2 LYS 35 2HE LYS 35 8.664 -18.895 -17.922 284 HE3 LYS 35 3HE LYS 35 7.939 -19.601 -16.478 285 HZ1 LYS 35 3HZ LYS 35 8.856 -21.223 -18.126 286 HZ2 LYS 35 1HZ LYS 35 7.614 -20.770 -19.182 287 HZ3 LYS 35 2HZ LYS 35 7.241 -21.483 -17.695 288 H CYS 36 H CYS 36 3.655 -15.669 -17.552 289 HA CYS 36 HA CYS 36 1.691 -16.177 -15.446 290 HB2 CYS 36 2HB CYS 36 1.400 -15.462 -18.368 291 HB3 CYS 36 3HB CYS 36 0.036 -15.851 -17.324 292 H THR 37 H THR 37 1.108 -18.182 -14.986 293 HA THR 37 HA THR 37 1.666 -20.317 -16.907 294 HB THR 37 HB THR 37 2.536 -20.769 -14.724 295 HG1 THR 37 HG1 THR 37 1.449 -22.718 -14.301 296 HG21 THR 37 3HG2 THR 37 1.519 -19.618 -13.067 297 HG22 THR 37 1HG2 THR 37 0.530 -21.071 -12.926 298 HG23 THR 37 2HG2 THR 37 -0.060 -19.688 -13.847 299 H LYS 38 H LYS 38 -0.911 -18.424 -15.824 300 HA LYS 38 HA LYS 38 -2.801 -20.093 -17.268 301 HB2 LYS 38 2HB LYS 38 -2.665 -20.314 -14.508 302 HB3 LYS 38 3HB LYS 38 -3.983 -19.178 -14.762 303 HG2 LYS 38 2HG LYS 38 -5.291 -20.943 -15.063 304 HG3 LYS 38 3HG LYS 38 -4.469 -21.180 -16.607 305 HD2 LYS 38 2HD LYS 38 -4.303 -23.253 -15.523 306 HD3 LYS 38 3HD LYS 38 -2.728 -22.496 -15.275 307 HE2 LYS 38 2HE LYS 38 -3.359 -21.830 -13.040 308 HE3 LYS 38 3HE LYS 38 -4.994 -22.442 -13.285 309 HZ1 LYS 38 3HZ LYS 38 -2.486 -23.959 -12.955 310 HZ2 LYS 38 1HZ LYS 38 -3.821 -24.663 -13.720 311 HZ3 LYS 38 2HZ LYS 38 -3.948 -24.128 -12.120 312 H ASP 39 H ASP 39 -4.940 -18.968 -17.502 313 HA ASP 39 HA ASP 39 -4.448 -16.129 -17.984 314 HB2 ASP 39 2HB ASP 39 -6.585 -16.263 -19.294 315 HB3 ASP 39 3HB ASP 39 -5.305 -17.319 -19.883 316 H ASN 40 H ASN 40 -5.608 -14.492 -17.068 317 HA ASN 40 HA ASN 40 -7.051 -13.406 -15.669 318 HB2 ASN 40 2HB ASN 40 -8.631 -15.342 -16.569 319 HB3 ASN 40 3HB ASN 40 -8.485 -15.910 -14.908 320 HD21 ASN 40 1HD2 ASN 40 -9.265 -14.607 -13.222 321 HD22 ASN 40 2HD2 ASN 40 -10.430 -13.365 -13.512 322 H ASN 41 H ASN 41 -4.805 -15.566 -14.876 323 HA ASN 41 HA ASN 41 -5.214 -16.226 -12.196 324 HB2 ASN 41 2HB ASN 41 -2.753 -16.457 -12.068 325 HB3 ASN 41 3HB ASN 41 -3.420 -17.224 -13.506 326 HD21 ASN 41 1HD2 ASN 41 -1.219 -17.077 -14.288 327 HD22 ASN 41 2HD2 ASN 41 -0.680 -15.610 -15.022 328 H LYS 42 H LYS 42 -3.220 -15.265 -10.655 329 HA LYS 42 HA LYS 42 -3.795 -12.379 -10.484 330 HB2 LYS 42 2HB LYS 42 -4.362 -14.394 -8.614 331 HB3 LYS 42 3HB LYS 42 -2.970 -13.536 -7.967 332 HG2 LYS 42 2HG LYS 42 -4.946 -12.527 -7.096 333 HG3 LYS 42 3HG LYS 42 -4.224 -11.408 -8.255 334 HD2 LYS 42 2HD LYS 42 -6.609 -11.466 -8.595 335 HD3 LYS 42 3HD LYS 42 -5.813 -12.233 -9.971 336 HE2 LYS 42 2HE LYS 42 -6.349 -14.413 -9.153 337 HE3 LYS 42 3HE LYS 42 -6.930 -13.756 -7.624 338 HZ1 LYS 42 3HZ LYS 42 -8.934 -13.526 -8.501 339 HZ2 LYS 42 1HZ LYS 42 -8.393 -14.228 -9.942 340 HZ3 LYS 42 2HZ LYS 42 -8.331 -12.549 -9.743 341 H CYS 43 H CYS 43 -2.128 -11.010 -9.727 342 HA CYS 43 HA CYS 43 0.555 -12.178 -9.566 343 HB2 CYS 43 2HB CYS 43 1.484 -10.610 -11.126 344 HB3 CYS 43 3HB CYS 43 0.119 -11.398 -11.912 345 H THR 44 H THR 44 2.159 -10.244 -9.069 346 HA THR 44 HA THR 44 0.902 -8.440 -7.117 347 HB THR 44 HB THR 44 3.393 -9.000 -6.024 348 HG1 THR 44 HG1 THR 44 2.207 -11.320 -7.138 349 HG21 THR 44 3HG2 THR 44 1.122 -10.578 -4.999 350 HG22 THR 44 1HG2 THR 44 0.837 -8.846 -5.161 351 HG23 THR 44 2HG2 THR 44 2.172 -9.431 -4.169 352 H VAL 45 H VAL 45 1.785 -6.419 -6.960 353 HA VAL 45 HA VAL 45 4.267 -5.839 -8.390 354 HB VAL 45 HB VAL 45 1.684 -4.370 -8.941 355 HG11 VAL 45 1HG1 VAL 45 3.610 -2.869 -8.887 356 HG12 VAL 45 2HG1 VAL 45 4.458 -3.908 -10.034 357 HG13 VAL 45 3HG1 VAL 45 2.994 -3.056 -10.529 358 HG21 VAL 45 3HG2 VAL 45 1.473 -6.209 -10.283 359 HG22 VAL 45 1HG2 VAL 45 2.435 -5.179 -11.342 360 HG23 VAL 45 2HG2 VAL 45 3.215 -6.456 -10.408 361 H ASP 46 H ASP 46 5.515 -4.565 -7.198 362 HA ASP 46 HA ASP 46 4.236 -2.846 -5.172 363 HB2 ASP 46 2HB ASP 46 5.628 -4.843 -4.363 364 HB3 ASP 46 3HB ASP 46 7.031 -3.952 -4.948 365 H THR 47 H THR 47 4.710 -0.732 -5.188 366 HA THR 47 HA THR 47 6.365 0.285 -7.335 367 HB THR 47 HB THR 47 5.516 2.432 -5.718 368 HG1 THR 47 HG1 THR 47 3.463 0.488 -6.105 369 HG21 THR 47 3HG2 THR 47 5.677 2.309 -8.204 370 HG22 THR 47 1HG2 THR 47 4.166 3.009 -7.624 371 HG23 THR 47 2HG2 THR 47 4.200 1.345 -8.208 372 H TYR 48 H TYR 48 6.562 -0.159 -3.900 373 HA TYR 48 HA TYR 48 8.672 1.701 -3.429 374 HB2 TYR 48 2HB TYR 48 7.057 -0.075 -1.874 375 HB3 TYR 48 3HB TYR 48 8.749 -0.367 -1.485 376 HD1 TYR 48 HD1 TYR 48 6.216 2.344 -1.757 377 HD2 TYR 48 HD2 TYR 48 9.892 1.069 -0.036 378 HE1 TYR 48 HE1 TYR 48 6.216 4.328 -0.303 379 HE2 TYR 48 HE2 TYR 48 9.902 3.048 1.424 380 HH TYR 48 HH TYR 48 8.122 4.639 2.380 381 H ASN 49 H ASN 49 8.545 -1.809 -3.933 382 HA ASN 49 HA ASN 49 11.469 -1.892 -4.054 383 HB2 ASN 49 2HB ASN 49 9.606 -4.258 -4.224 384 HB3 ASN 49 3HB ASN 49 11.310 -4.245 -3.780 385 HD21 ASN 49 1HD2 ASN 49 8.576 -4.956 -2.487 386 HD22 ASN 49 2HD2 ASN 49 8.732 -4.303 -0.895 387 H ASN 50 H ASN 50 8.919 -1.438 -6.108 388 HA ASN 50 HA ASN 50 8.598 -1.615 -8.357 389 HB2 ASN 50 2HB ASN 50 11.618 -1.512 -8.257 390 HB3 ASN 50 3HB ASN 50 10.682 -1.374 -9.743 391 HD21 ASN 50 1HD2 ASN 50 11.598 0.161 -6.775 392 HD22 ASN 50 2HD2 ASN 50 11.009 1.737 -7.169 393 H ALA 51 H ALA 51 8.806 -4.099 -6.800 394 HA ALA 51 HA ALA 51 9.904 -5.954 -8.793 395 HB1 ALA 51 1HB ALA 51 10.671 -6.263 -6.495 396 HB2 ALA 51 2HB ALA 51 9.003 -6.485 -5.963 397 HB3 ALA 51 3HB ALA 51 9.745 -7.657 -7.053 398 H VAL 52 H VAL 52 8.661 -7.512 -9.777 399 HA VAL 52 HA VAL 52 5.773 -7.483 -9.225 400 HB VAL 52 HB VAL 52 7.023 -7.414 -11.975 401 HG11 VAL 52 1HG1 VAL 52 4.365 -8.194 -11.012 402 HG12 VAL 52 2HG1 VAL 52 4.356 -7.024 -12.333 403 HG13 VAL 52 3HG1 VAL 52 5.180 -8.572 -12.529 404 HG21 VAL 52 3HG2 VAL 52 5.104 -5.355 -11.492 405 HG22 VAL 52 1HG2 VAL 52 6.317 -5.327 -10.213 406 HG23 VAL 52 2HG2 VAL 52 6.813 -5.204 -11.901 407 H ASP 53 H ASP 53 4.716 -9.425 -9.463 408 HA ASP 53 HA ASP 53 6.256 -11.729 -10.413 409 HB2 ASP 53 2HB ASP 53 6.025 -11.237 -7.730 410 HB3 ASP 53 3HB ASP 53 4.641 -12.287 -8.019 411 H CYS 54 H CYS 54 5.091 -12.652 -11.952 412 HA CYS 54 HA CYS 54 2.163 -12.478 -11.826 413 HB2 CYS 54 2HB CYS 54 3.804 -13.348 -14.203 414 HB3 CYS 54 3HB CYS 54 2.131 -12.798 -14.182 415 H ASP 55 H ASP 55 0.887 -14.258 -11.758 416 HA ASP 55 HA ASP 55 1.788 -16.624 -10.659 417 HB2 ASP 55 2HB ASP 55 -0.693 -15.601 -11.655 418 HB3 ASP 55 3HB ASP 55 -0.497 -17.258 -12.220 Start of MODEL 16 1 H1 ALA 1 H ALA 1 -0.502 -1.772 0.727 2 HA ALA 1 HA ALA 1 1.321 0.346 -0.203 3 HB1 ALA 1 1HB ALA 1 3.057 -1.462 0.617 4 HB2 ALA 1 2HB ALA 1 2.297 -0.339 1.745 5 HB3 ALA 1 3HB ALA 1 1.691 -1.988 1.600 6 H LYS 2 H LYS 2 0.087 -2.854 -0.838 7 HA LYS 2 HA LYS 2 1.738 -2.992 -3.274 8 HB2 LYS 2 2HB LYS 2 1.346 -5.424 -3.228 9 HB3 LYS 2 3HB LYS 2 2.149 -4.859 -1.768 10 HG2 LYS 2 2HG LYS 2 -0.545 -4.734 -1.142 11 HG3 LYS 2 3HG LYS 2 -0.384 -6.219 -2.083 12 HD2 LYS 2 2HD LYS 2 0.027 -6.929 0.092 13 HD3 LYS 2 3HD LYS 2 1.650 -6.690 -0.560 14 HE2 LYS 2 2HE LYS 2 1.402 -4.296 0.420 15 HE3 LYS 2 3HE LYS 2 0.125 -5.018 1.397 16 HZ1 LYS 2 3HZ LYS 2 2.872 -6.123 1.267 17 HZ2 LYS 2 1HZ LYS 2 1.650 -6.510 2.372 18 HZ3 LYS 2 2HZ LYS 2 2.390 -4.990 2.428 19 H TYR 3 H TYR 3 0.704 -3.964 -5.172 20 HA TYR 3 HA TYR 3 -2.168 -3.314 -5.276 21 HB2 TYR 3 2HB TYR 3 -0.257 -3.279 -7.613 22 HB3 TYR 3 3HB TYR 3 -1.897 -2.644 -7.557 23 HD1 TYR 3 HD2 TYR 3 1.580 -2.085 -6.498 24 HD2 TYR 3 HD1 TYR 3 -2.360 -0.484 -6.608 25 HE1 TYR 3 HE2 TYR 3 2.464 0.120 -5.862 26 HE2 TYR 3 HE1 TYR 3 -1.487 1.726 -5.973 27 HH TYR 3 HH TYR 3 0.623 2.576 -4.704 28 H THR 4 H THR 4 -3.559 -4.835 -5.945 29 HA THR 4 HA THR 4 -2.449 -7.445 -6.697 30 HB THR 4 HB THR 4 -5.335 -7.314 -6.188 31 HG1 THR 4 HG1 THR 4 -5.231 -6.717 -4.099 32 HG21 THR 4 3HG2 THR 4 -3.183 -8.954 -4.856 33 HG22 THR 4 1HG2 THR 4 -3.915 -9.379 -6.402 34 HG23 THR 4 2HG2 THR 4 -4.908 -9.309 -4.946 35 H GLY 5 H GLY 5 -2.516 -8.037 -8.759 36 HA2 GLY 5 2HA GLY 5 -4.783 -7.148 -10.411 37 HA3 GLY 5 3HA GLY 5 -3.143 -6.895 -10.988 38 H LYS 6 H LYS 6 -5.051 -8.376 -12.399 39 HA LYS 6 HA LYS 6 -4.006 -11.119 -12.132 40 HB2 LYS 6 2HB LYS 6 -6.640 -10.246 -13.333 41 HB3 LYS 6 3HB LYS 6 -6.076 -11.903 -13.170 42 HG2 LYS 6 2HG LYS 6 -7.043 -12.010 -11.186 43 HG3 LYS 6 3HG LYS 6 -5.953 -10.749 -10.604 44 HD2 LYS 6 2HD LYS 6 -8.038 -9.836 -10.178 45 HD3 LYS 6 3HD LYS 6 -7.633 -9.129 -11.744 46 HE2 LYS 6 2HE LYS 6 -8.901 -11.606 -12.241 47 HE3 LYS 6 3HE LYS 6 -9.865 -10.761 -11.029 48 HZ1 LYS 6 3HZ LYS 6 -10.710 -9.572 -12.678 49 HZ2 LYS 6 1HZ LYS 6 -9.644 -10.246 -13.804 50 HZ3 LYS 6 2HZ LYS 6 -9.190 -8.873 -12.928 51 H CYS 7 H CYS 7 -3.375 -12.223 -13.990 52 HA CYS 7 HA CYS 7 -3.137 -10.580 -16.424 53 HB2 CYS 7 2HB CYS 7 -0.931 -11.262 -16.772 54 HB3 CYS 7 3HB CYS 7 -0.993 -10.996 -15.033 55 H THR 8 H THR 8 -2.756 -11.911 -18.409 56 HA THR 8 HA THR 8 -4.376 -14.369 -18.277 57 HB THR 8 HB THR 8 -4.145 -13.450 -20.965 58 HG1 THR 8 HG1 THR 8 -5.315 -11.459 -19.330 59 HG21 THR 8 3HG2 THR 8 -6.098 -14.544 -20.665 60 HG22 THR 8 1HG2 THR 8 -6.713 -12.941 -20.266 61 HG23 THR 8 2HG2 THR 8 -6.235 -14.048 -18.979 62 H LYS 9 H LYS 9 -3.764 -16.166 -19.536 63 HA LYS 9 HA LYS 9 -0.925 -16.513 -19.771 64 HB2 LYS 9 2HB LYS 9 -2.154 -18.395 -19.001 65 HB3 LYS 9 3HB LYS 9 -3.287 -18.296 -20.342 66 HG2 LYS 9 2HG LYS 9 -1.738 -19.155 -21.867 67 HG3 LYS 9 3HG LYS 9 -0.375 -18.853 -20.786 68 HD2 LYS 9 2HD LYS 9 -1.930 -20.512 -19.277 69 HD3 LYS 9 3HD LYS 9 -2.223 -21.126 -20.905 70 HE2 LYS 9 2HE LYS 9 0.423 -20.815 -19.501 71 HE3 LYS 9 3HE LYS 9 -0.362 -22.314 -19.995 72 HZ1 LYS 9 3HZ LYS 9 1.249 -21.925 -21.613 73 HZ2 LYS 9 1HZ LYS 9 0.920 -20.267 -21.698 74 HZ3 LYS 9 2HZ LYS 9 -0.179 -21.381 -22.338 75 H SER 10 H SER 10 -3.501 -15.656 -21.896 76 HA SER 10 HA SER 10 -2.092 -16.374 -24.313 77 HB2 SER 10 2HB SER 10 -4.680 -16.228 -23.900 78 HB3 SER 10 3HB SER 10 -4.449 -14.520 -24.273 79 HG SER 10 HG SER 10 -4.684 -15.262 -26.247 80 H LYS 11 H LYS 11 -2.982 -13.367 -22.646 81 HA LYS 11 HA LYS 11 -1.363 -11.801 -24.485 82 HB2 LYS 11 2HB LYS 11 -3.376 -11.216 -22.382 83 HB3 LYS 11 3HB LYS 11 -2.142 -9.993 -22.658 84 HG2 LYS 11 2HG LYS 11 -3.194 -10.893 -25.167 85 HG3 LYS 11 3HG LYS 11 -4.511 -10.405 -24.096 86 HD2 LYS 11 2HD LYS 11 -3.560 -8.238 -23.793 87 HD3 LYS 11 3HD LYS 11 -2.066 -8.717 -24.603 88 HE2 LYS 11 2HE LYS 11 -2.911 -8.120 -26.568 89 HE3 LYS 11 3HE LYS 11 -4.269 -9.222 -26.345 90 HZ1 LYS 11 3HZ LYS 11 -4.323 -6.637 -24.963 91 HZ2 LYS 11 1HZ LYS 11 -5.605 -7.567 -25.560 92 HZ3 LYS 11 2HZ LYS 11 -4.647 -6.667 -26.623 93 H ASN 12 H ASN 12 -0.970 -13.435 -21.547 94 HA ASN 12 HA ASN 12 0.629 -13.431 -19.918 95 HB2 ASN 12 2HB ASN 12 1.903 -14.060 -22.009 96 HB3 ASN 12 3HB ASN 12 2.425 -12.381 -22.110 97 HD21 ASN 12 1HD2 ASN 12 4.401 -14.048 -21.999 98 HD22 ASN 12 2HD2 ASN 12 5.126 -14.129 -20.433 99 H GLU 13 H GLU 13 -0.927 -11.007 -20.134 100 HA GLU 13 HA GLU 13 1.015 -9.114 -18.988 101 HB2 GLU 13 2HB GLU 13 -0.087 -7.267 -19.996 102 HB3 GLU 13 3HB GLU 13 0.161 -8.451 -21.272 103 HG2 GLU 13 2HG GLU 13 -1.986 -8.211 -21.752 104 HG3 GLU 13 3HG GLU 13 -2.327 -9.091 -20.264 105 H CYS 14 H CYS 14 0.399 -8.022 -17.157 106 HA CYS 14 HA CYS 14 -2.007 -9.051 -15.837 107 HB2 CYS 14 2HB CYS 14 0.457 -9.010 -14.858 108 HB3 CYS 14 3HB CYS 14 0.004 -7.369 -14.408 109 H LYS 15 H LYS 15 -3.138 -7.476 -14.359 110 HA LYS 15 HA LYS 15 -3.103 -4.717 -15.310 111 HB2 LYS 15 2HB LYS 15 -4.747 -5.847 -16.738 112 HB3 LYS 15 3HB LYS 15 -5.593 -6.434 -15.312 113 HG2 LYS 15 2HG LYS 15 -5.195 -3.507 -15.566 114 HG3 LYS 15 3HG LYS 15 -6.372 -4.278 -16.632 115 HD2 LYS 15 2HD LYS 15 -6.508 -5.061 -13.792 116 HD3 LYS 15 3HD LYS 15 -6.944 -3.388 -14.148 117 HE2 LYS 15 2HE LYS 15 -8.734 -4.006 -15.486 118 HE3 LYS 15 3HE LYS 15 -8.086 -5.619 -15.780 119 HZ1 LYS 15 3HZ LYS 15 -8.687 -6.306 -13.621 120 HZ2 LYS 15 1HZ LYS 15 -10.037 -5.491 -14.234 121 HZ3 LYS 15 2HZ LYS 15 -9.025 -4.728 -13.114 122 H TYR 16 H TYR 16 -3.127 -3.405 -13.617 123 HA TYR 16 HA TYR 16 -4.719 -4.104 -11.266 124 HB2 TYR 16 2HB TYR 16 -2.912 -3.669 -9.726 125 HB3 TYR 16 3HB TYR 16 -2.391 -4.904 -10.867 126 HD1 TYR 16 HD2 TYR 16 -0.669 -4.426 -12.518 127 HD2 TYR 16 HD1 TYR 16 -1.922 -1.452 -9.745 128 HE1 TYR 16 HE2 TYR 16 1.317 -3.084 -13.069 129 HE2 TYR 16 HE1 TYR 16 0.060 -0.101 -10.289 130 HH TYR 16 HH TYR 16 1.802 -0.356 -12.883 131 H LYS 17 H LYS 17 -4.923 -2.250 -9.747 132 HA LYS 17 HA LYS 17 -5.188 0.228 -11.281 133 HB2 LYS 17 2HB LYS 17 -6.490 -0.878 -8.828 134 HB3 LYS 17 3HB LYS 17 -6.444 0.866 -9.048 135 HG2 LYS 17 2HG LYS 17 -7.593 0.640 -11.183 136 HG3 LYS 17 3HG LYS 17 -7.616 -1.114 -10.991 137 HD2 LYS 17 2HD LYS 17 -8.810 0.678 -8.905 138 HD3 LYS 17 3HD LYS 17 -9.723 0.237 -10.350 139 HE2 LYS 17 2HE LYS 17 -10.375 -1.487 -9.037 140 HE3 LYS 17 3HE LYS 17 -8.869 -2.191 -9.622 141 HZ1 LYS 17 3HZ LYS 17 -8.371 -0.588 -7.350 142 HZ2 LYS 17 1HZ LYS 17 -8.089 -2.242 -7.566 143 HZ3 LYS 17 2HZ LYS 17 -9.588 -1.708 -6.994 144 H ASN 18 H ASN 18 -4.226 2.135 -10.703 145 HA ASN 18 HA ASN 18 -2.013 1.911 -8.805 146 HB2 ASN 18 2HB ASN 18 -1.183 3.985 -9.844 147 HB3 ASN 18 3HB ASN 18 -1.473 2.731 -11.046 148 HD21 ASN 18 1HD2 ASN 18 -3.457 2.855 -12.275 149 HD22 ASN 18 2HD2 ASN 18 -4.151 4.402 -12.607 150 H ASP 19 H ASP 19 -1.577 4.439 -8.006 151 HA ASP 19 HA ASP 19 -3.305 4.788 -5.852 152 HB2 ASP 19 2HB ASP 19 -2.183 6.903 -5.472 153 HB3 ASP 19 3HB ASP 19 -1.000 5.704 -5.986 154 H ALA 20 H ALA 20 -3.385 6.163 -9.080 155 HA ALA 20 HA ALA 20 -5.389 8.109 -8.553 156 HB1 ALA 20 1HB ALA 20 -3.796 8.131 -10.491 157 HB2 ALA 20 2HB ALA 20 -4.771 6.853 -11.218 158 HB3 ALA 20 3HB ALA 20 -5.483 8.436 -10.906 159 H GLY 21 H GLY 21 -5.506 4.746 -8.755 160 HA2 GLY 21 2HA GLY 21 -7.368 3.391 -8.406 161 HA3 GLY 21 3HA GLY 21 -8.401 4.789 -8.660 162 H LYS 22 H LYS 22 -6.412 4.945 -11.189 163 HA LYS 22 HA LYS 22 -8.363 3.892 -13.004 164 HB2 LYS 22 2HB LYS 22 -5.744 5.308 -13.266 165 HB3 LYS 22 3HB LYS 22 -6.389 4.462 -14.666 166 HG2 LYS 22 2HG LYS 22 -8.530 5.780 -14.278 167 HG3 LYS 22 3HG LYS 22 -7.578 6.778 -13.177 168 HD2 LYS 22 2HD LYS 22 -6.620 6.249 -15.965 169 HD3 LYS 22 3HD LYS 22 -7.822 7.504 -15.654 170 HE2 LYS 22 2HE LYS 22 -6.086 8.851 -15.251 171 HE3 LYS 22 3HE LYS 22 -5.915 7.979 -13.729 172 HZ1 LYS 22 3HZ LYS 22 -4.531 6.362 -15.207 173 HZ2 LYS 22 1HZ LYS 22 -3.826 7.774 -14.599 174 HZ3 LYS 22 2HZ LYS 22 -4.359 7.719 -16.203 175 H ASP 23 H ASP 23 -8.110 2.194 -14.484 176 HA ASP 23 HA ASP 23 -6.584 -0.029 -13.473 177 HB2 ASP 23 2HB ASP 23 -7.660 -1.309 -15.270 178 HB3 ASP 23 3HB ASP 23 -8.844 -0.374 -14.360 179 H THR 24 H THR 24 -4.572 -0.509 -14.022 180 HA THR 24 HA THR 24 -3.556 0.440 -16.622 181 HB THR 24 HB THR 24 -1.801 0.051 -14.206 182 HG1 THR 24 HG1 THR 24 -3.599 1.729 -14.044 183 HG21 THR 24 3HG2 THR 24 -0.589 1.931 -15.621 184 HG22 THR 24 1HG2 THR 24 -1.517 1.208 -16.935 185 HG23 THR 24 2HG2 THR 24 -0.390 0.221 -16.004 186 H PHE 25 H PHE 25 -2.783 -1.076 -17.941 187 HA PHE 25 HA PHE 25 -2.259 -3.749 -16.820 188 HB2 PHE 25 2HB PHE 25 -2.688 -4.523 -19.210 189 HB3 PHE 25 3HB PHE 25 -4.085 -3.927 -18.319 190 HD1 PHE 25 HD2 PHE 25 -1.614 -3.078 -20.923 191 HD2 PHE 25 HD1 PHE 25 -5.297 -2.042 -19.058 192 HE1 PHE 25 HE2 PHE 25 -2.072 -1.471 -22.729 193 HE2 PHE 25 HE1 PHE 25 -5.762 -0.434 -20.862 194 HZ PHE 25 HZ PHE 25 -4.148 -0.146 -22.699 195 H ILE 26 H ILE 26 -0.482 -4.943 -17.598 196 HA ILE 26 HA ILE 26 1.420 -3.653 -19.367 197 HB ILE 26 HB ILE 26 1.948 -2.748 -17.102 198 HG12 ILE 26 2HG1 ILE 26 4.156 -4.575 -18.029 199 HG13 ILE 26 3HG1 ILE 26 3.634 -3.199 -18.994 200 HG21 ILE 26 1HG2 ILE 26 2.987 -4.250 -15.458 201 HG22 ILE 26 2HG2 ILE 26 1.302 -4.667 -15.766 202 HG23 ILE 26 3HG2 ILE 26 2.593 -5.628 -16.486 203 HD11 ILE 26 3HD1 ILE 26 5.268 -2.160 -17.858 204 HD12 ILE 26 1HD1 ILE 26 4.009 -1.983 -16.636 205 HD13 ILE 26 2HD1 ILE 26 5.192 -3.284 -16.502 206 H LYS 27 H LYS 27 2.942 -5.068 -20.243 207 HA LYS 27 HA LYS 27 2.169 -7.842 -20.194 208 HB2 LYS 27 2HB LYS 27 4.312 -7.920 -21.751 209 HB3 LYS 27 3HB LYS 27 2.777 -7.287 -22.332 210 HG2 LYS 27 2HG LYS 27 4.701 -5.884 -22.954 211 HG3 LYS 27 3HG LYS 27 3.512 -5.026 -21.971 212 HD2 LYS 27 2HD LYS 27 4.877 -5.144 -20.045 213 HD3 LYS 27 3HD LYS 27 5.946 -6.338 -20.784 214 HE2 LYS 27 2HE LYS 27 6.270 -4.388 -22.554 215 HE3 LYS 27 3HE LYS 27 5.814 -3.395 -21.172 216 HZ1 LYS 27 3HZ LYS 27 8.294 -4.011 -21.601 217 HZ2 LYS 27 1HZ LYS 27 7.877 -5.450 -20.815 218 HZ3 LYS 27 2HZ LYS 27 7.688 -3.968 -20.023 219 H CYS 28 H CYS 28 3.452 -9.598 -19.575 220 HA CYS 28 HA CYS 28 5.483 -8.935 -17.562 221 HB2 CYS 28 2HB CYS 28 3.462 -11.066 -17.842 222 HB3 CYS 28 3HB CYS 28 5.025 -11.597 -17.230 223 HA PRO 29 HA PRO 29 8.801 -10.666 -19.851 224 HB2 PRO 29 2HB PRO 29 10.228 -11.946 -17.928 225 HB3 PRO 29 3HB PRO 29 10.160 -10.184 -18.061 226 HG2 PRO 29 2HG PRO 29 8.633 -12.008 -16.243 227 HG3 PRO 29 3HG PRO 29 9.408 -10.456 -15.877 228 HD2 PRO 29 2HD PRO 29 6.745 -10.688 -16.305 229 HD3 PRO 29 3HD PRO 29 7.660 -9.233 -16.749 230 H LYS 30 H LYS 30 9.480 -12.513 -20.897 231 HA LYS 30 HA LYS 30 7.774 -14.842 -20.573 232 HB2 LYS 30 2HB LYS 30 8.711 -13.628 -22.786 233 HB3 LYS 30 3HB LYS 30 9.960 -14.848 -22.577 234 HG2 LYS 30 2HG LYS 30 8.554 -16.572 -23.046 235 HG3 LYS 30 3HG LYS 30 7.134 -15.732 -22.418 236 HD2 LYS 30 2HD LYS 30 8.136 -14.286 -24.662 237 HD3 LYS 30 3HD LYS 30 7.981 -15.987 -25.109 238 HE2 LYS 30 2HE LYS 30 5.670 -16.000 -24.414 239 HE3 LYS 30 3HE LYS 30 5.807 -14.350 -23.809 240 HZ1 LYS 30 3HZ LYS 30 5.521 -13.514 -25.841 241 HZ2 LYS 30 1HZ LYS 30 4.961 -15.048 -26.283 242 HZ3 LYS 30 2HZ LYS 30 6.573 -14.623 -26.565 243 H PHE 31 H PHE 31 10.295 -13.921 -18.904 244 HA PHE 31 HA PHE 31 12.048 -16.184 -19.120 245 HB2 PHE 31 2HB PHE 31 11.877 -13.762 -17.391 246 HB3 PHE 31 3HB PHE 31 12.802 -15.135 -16.791 247 HD1 PHE 31 HD1 PHE 31 12.419 -13.686 -20.204 248 HD2 PHE 31 HD2 PHE 31 15.039 -14.649 -16.991 249 HE1 PHE 31 HE1 PHE 31 14.343 -12.977 -21.565 250 HE2 PHE 31 HE2 PHE 31 16.967 -13.941 -18.346 251 HZ PHE 31 HZ PHE 31 16.620 -13.102 -20.635 252 H ASP 32 H ASP 32 12.508 -17.625 -17.284 253 HA ASP 32 HA ASP 32 10.109 -18.850 -16.344 254 HB2 ASP 32 2HB ASP 32 13.038 -19.391 -15.934 255 HB3 ASP 32 3HB ASP 32 11.819 -20.281 -15.028 256 H ASN 33 H ASN 33 12.124 -16.382 -15.144 257 HA ASN 33 HA ASN 33 11.769 -16.782 -12.360 258 HB2 ASN 33 2HB ASN 33 13.489 -15.288 -13.537 259 HB3 ASN 33 3HB ASN 33 12.194 -14.102 -13.673 260 HD21 ASN 33 1HD2 ASN 33 12.967 -12.581 -12.319 261 HD22 ASN 33 2HD2 ASN 33 13.221 -12.823 -10.627 262 H LYS 34 H LYS 34 9.886 -15.173 -14.836 263 HA LYS 34 HA LYS 34 7.588 -15.109 -13.100 264 HB2 LYS 34 2HB LYS 34 9.083 -12.634 -13.819 265 HB3 LYS 34 3HB LYS 34 7.326 -12.559 -13.814 266 HG2 LYS 34 2HG LYS 34 7.395 -12.222 -11.630 267 HG3 LYS 34 3HG LYS 34 8.051 -13.849 -11.432 268 HD2 LYS 34 2HD LYS 34 9.522 -12.285 -10.350 269 HD3 LYS 34 3HD LYS 34 10.326 -12.913 -11.790 270 HE2 LYS 34 2HE LYS 34 10.132 -10.919 -12.930 271 HE3 LYS 34 3HE LYS 34 8.741 -10.393 -11.983 272 HZ1 LYS 34 3HZ LYS 34 10.528 -9.076 -11.278 273 HZ2 LYS 34 1HZ LYS 34 11.593 -10.387 -11.194 274 HZ3 LYS 34 2HZ LYS 34 10.348 -10.235 -10.059 275 H LYS 35 H LYS 35 5.903 -15.678 -14.295 276 HA LYS 35 HA LYS 35 5.336 -14.533 -16.839 277 HB2 LYS 35 2HB LYS 35 5.535 -16.507 -18.223 278 HB3 LYS 35 3HB LYS 35 7.094 -16.154 -17.490 279 HG2 LYS 35 2HG LYS 35 6.945 -17.962 -16.020 280 HG3 LYS 35 3HG LYS 35 5.206 -18.133 -16.266 281 HD2 LYS 35 2HD LYS 35 5.583 -19.616 -17.878 282 HD3 LYS 35 3HD LYS 35 6.476 -18.398 -18.791 283 HE2 LYS 35 2HE LYS 35 8.500 -19.181 -18.119 284 HE3 LYS 35 3HE LYS 35 7.899 -19.696 -16.544 285 HZ1 LYS 35 3HZ LYS 35 7.599 -21.748 -17.295 286 HZ2 LYS 35 1HZ LYS 35 8.422 -21.304 -18.705 287 HZ3 LYS 35 2HZ LYS 35 6.734 -21.217 -18.648 288 H CYS 36 H CYS 36 3.390 -15.646 -17.862 289 HA CYS 36 HA CYS 36 1.540 -16.359 -15.706 290 HB2 CYS 36 2HB CYS 36 1.078 -15.385 -18.529 291 HB3 CYS 36 3HB CYS 36 -0.220 -15.894 -17.453 292 H THR 37 H THR 37 1.065 -18.421 -15.400 293 HA THR 37 HA THR 37 1.514 -20.338 -17.566 294 HB THR 37 HB THR 37 2.592 -21.021 -15.566 295 HG1 THR 37 HG1 THR 37 1.459 -22.973 -15.114 296 HG21 THR 37 3HG2 THR 37 1.713 -19.832 -13.800 297 HG22 THR 37 1HG2 THR 37 1.021 -21.425 -13.498 298 HG23 THR 37 2HG2 THR 37 0.045 -20.170 -14.262 299 H LYS 38 H LYS 38 -1.009 -18.727 -15.932 300 HA LYS 38 HA LYS 38 -2.983 -20.215 -17.458 301 HB2 LYS 38 2HB LYS 38 -2.580 -21.112 -14.968 302 HB3 LYS 38 3HB LYS 38 -3.696 -19.804 -14.602 303 HG2 LYS 38 2HG LYS 38 -5.304 -21.289 -15.002 304 HG3 LYS 38 3HG LYS 38 -4.921 -21.055 -16.709 305 HD2 LYS 38 2HD LYS 38 -3.099 -22.883 -16.220 306 HD3 LYS 38 3HD LYS 38 -4.171 -23.287 -14.877 307 HE2 LYS 38 2HE LYS 38 -5.951 -23.810 -16.317 308 HE3 LYS 38 3HE LYS 38 -5.193 -22.999 -17.686 309 HZ1 LYS 38 3HZ LYS 38 -3.460 -25.003 -16.798 310 HZ2 LYS 38 1HZ LYS 38 -4.294 -24.919 -18.268 311 HZ3 LYS 38 2HZ LYS 38 -4.999 -25.691 -16.938 312 H ASP 39 H ASP 39 -4.904 -19.076 -17.814 313 HA ASP 39 HA ASP 39 -4.660 -16.249 -17.791 314 HB2 ASP 39 2HB ASP 39 -6.850 -16.219 -18.807 315 HB3 ASP 39 3HB ASP 39 -5.926 -17.546 -19.507 316 H ASN 40 H ASN 40 -6.125 -14.729 -16.781 317 HA ASN 40 HA ASN 40 -7.169 -13.798 -14.988 318 HB2 ASN 40 2HB ASN 40 -8.738 -15.835 -15.568 319 HB3 ASN 40 3HB ASN 40 -8.125 -16.472 -14.045 320 HD21 ASN 40 1HD2 ASN 40 -8.579 -15.366 -12.122 321 HD22 ASN 40 2HD2 ASN 40 -9.883 -14.237 -12.017 322 H ASN 41 H ASN 41 -4.480 -15.282 -14.822 323 HA ASN 41 HA ASN 41 -4.117 -16.287 -12.238 324 HB2 ASN 41 2HB ASN 41 -2.491 -15.726 -14.481 325 HB3 ASN 41 3HB ASN 41 -1.756 -14.899 -13.111 326 HD21 ASN 41 1HD2 ASN 41 -0.978 -17.301 -14.696 327 HD22 ASN 41 2HD2 ASN 41 -0.710 -18.538 -13.520 328 H LYS 42 H LYS 42 -2.151 -14.928 -10.974 329 HA LYS 42 HA LYS 42 -3.253 -12.258 -10.425 330 HB2 LYS 42 2HB LYS 42 -3.406 -14.511 -8.707 331 HB3 LYS 42 3HB LYS 42 -2.236 -13.402 -8.006 332 HG2 LYS 42 2HG LYS 42 -4.322 -12.840 -7.073 333 HG3 LYS 42 3HG LYS 42 -3.969 -11.591 -8.269 334 HD2 LYS 42 2HD LYS 42 -6.277 -12.245 -8.479 335 HD3 LYS 42 3HD LYS 42 -5.390 -12.817 -9.894 336 HE2 LYS 42 2HE LYS 42 -5.958 -14.923 -9.463 337 HE3 LYS 42 3HE LYS 42 -5.330 -14.803 -7.820 338 HZ1 LYS 42 3HZ LYS 42 -7.747 -13.416 -7.908 339 HZ2 LYS 42 1HZ LYS 42 -7.400 -14.851 -7.082 340 HZ3 LYS 42 2HZ LYS 42 -8.005 -14.909 -8.660 341 H CYS 43 H CYS 43 -1.769 -10.748 -9.541 342 HA CYS 43 HA CYS 43 1.055 -11.544 -9.590 343 HB2 CYS 43 2HB CYS 43 0.240 -8.921 -10.792 344 HB3 CYS 43 3HB CYS 43 1.707 -9.858 -11.058 345 H THR 44 H THR 44 2.397 -9.474 -8.877 346 HA THR 44 HA THR 44 1.006 -8.046 -6.734 347 HB THR 44 HB THR 44 3.514 -8.686 -5.643 348 HG1 THR 44 HG1 THR 44 3.904 -10.548 -6.611 349 HG21 THR 44 3HG2 THR 44 0.943 -8.529 -4.800 350 HG22 THR 44 1HG2 THR 44 2.261 -9.187 -3.831 351 HG23 THR 44 2HG2 THR 44 1.204 -10.271 -4.736 352 H VAL 45 H VAL 45 1.790 -6.024 -6.323 353 HA VAL 45 HA VAL 45 4.269 -5.203 -7.666 354 HB VAL 45 HB VAL 45 1.702 -3.613 -7.780 355 HG11 VAL 45 1HG1 VAL 45 4.465 -3.134 -8.871 356 HG12 VAL 45 2HG1 VAL 45 3.039 -2.267 -9.445 357 HG13 VAL 45 3HG1 VAL 45 3.543 -2.121 -7.761 358 HG21 VAL 45 3HG2 VAL 45 3.112 -5.128 -9.976 359 HG22 VAL 45 1HG2 VAL 45 1.604 -5.611 -9.199 360 HG23 VAL 45 2HG2 VAL 45 1.667 -4.133 -10.159 361 H ASP 46 H ASP 46 5.578 -4.158 -6.326 362 HA ASP 46 HA ASP 46 4.414 -2.892 -3.933 363 HB2 ASP 46 2HB ASP 46 6.561 -4.787 -4.235 364 HB3 ASP 46 3HB ASP 46 7.172 -3.301 -3.514 365 H THR 47 H THR 47 4.749 -0.782 -3.619 366 HA THR 47 HA THR 47 6.237 0.697 -5.623 367 HB THR 47 HB THR 47 5.229 2.375 -3.516 368 HG1 THR 47 HG1 THR 47 3.574 1.128 -2.989 369 HG21 THR 47 3HG2 THR 47 3.892 3.310 -5.374 370 HG22 THR 47 1HG2 THR 47 4.405 1.966 -6.393 371 HG23 THR 47 2HG2 THR 47 5.594 3.123 -5.795 372 H TYR 48 H TYR 48 6.736 -0.501 -2.466 373 HA TYR 48 HA TYR 48 8.716 1.468 -1.717 374 HB2 TYR 48 2HB TYR 48 7.267 -0.667 -0.407 375 HB3 TYR 48 3HB TYR 48 8.985 -0.759 -0.038 376 HD1 TYR 48 HD1 TYR 48 5.953 1.297 0.254 377 HD2 TYR 48 HD2 TYR 48 10.062 0.935 1.294 378 HE1 TYR 48 HE1 TYR 48 5.682 3.084 1.922 379 HE2 TYR 48 HE2 TYR 48 9.803 2.720 2.966 380 HH TYR 48 HH TYR 48 6.646 4.214 3.583 381 H ASN 49 H ASN 49 8.659 -1.881 -2.847 382 HA ASN 49 HA ASN 49 11.589 -1.856 -3.021 383 HB2 ASN 49 2HB ASN 49 9.564 -4.090 -3.018 384 HB3 ASN 49 3HB ASN 49 11.239 -4.350 -3.495 385 HD21 ASN 49 1HD2 ASN 49 9.571 -5.283 -1.187 386 HD22 ASN 49 2HD2 ASN 49 10.512 -4.899 0.210 387 H ASN 50 H ASN 50 8.925 -1.252 -4.896 388 HA ASN 50 HA ASN 50 8.509 -1.146 -7.135 389 HB2 ASN 50 2HB ASN 50 10.995 -0.017 -6.642 390 HB3 ASN 50 3HB ASN 50 11.295 -1.097 -8.000 391 HD21 ASN 50 1HD2 ASN 50 9.121 1.449 -6.876 392 HD22 ASN 50 2HD2 ASN 50 8.810 2.117 -8.439 393 H ALA 51 H ALA 51 8.931 -3.801 -5.962 394 HA ALA 51 HA ALA 51 10.015 -5.268 -8.268 395 HB1 ALA 51 1HB ALA 51 10.003 -7.230 -6.705 396 HB2 ALA 51 2HB ALA 51 11.092 -5.919 -6.249 397 HB3 ALA 51 3HB ALA 51 9.550 -6.114 -5.416 398 H VAL 52 H VAL 52 8.725 -6.461 -9.535 399 HA VAL 52 HA VAL 52 5.915 -6.794 -8.705 400 HB VAL 52 HB VAL 52 5.227 -6.637 -10.991 401 HG11 VAL 52 1HG1 VAL 52 5.298 -4.405 -11.018 402 HG12 VAL 52 2HG1 VAL 52 6.312 -4.536 -9.579 403 HG13 VAL 52 3HG1 VAL 52 7.055 -4.380 -11.171 404 HG21 VAL 52 3HG2 VAL 52 8.165 -6.742 -11.578 405 HG22 VAL 52 1HG2 VAL 52 6.864 -7.735 -12.234 406 HG23 VAL 52 2HG2 VAL 52 7.028 -6.053 -12.737 407 H ASP 53 H ASP 53 4.940 -8.762 -8.982 408 HA ASP 53 HA ASP 53 6.490 -10.921 -10.216 409 HB2 ASP 53 2HB ASP 53 6.360 -10.607 -7.462 410 HB3 ASP 53 3HB ASP 53 5.119 -11.810 -7.802 411 H CYS 54 H CYS 54 5.240 -11.784 -11.724 412 HA CYS 54 HA CYS 54 2.335 -11.904 -11.251 413 HB2 CYS 54 2HB CYS 54 2.166 -12.045 -13.760 414 HB3 CYS 54 3HB CYS 54 2.779 -10.513 -13.146 415 H ASP 55 H ASP 55 1.243 -13.806 -11.565 416 HA ASP 55 HA ASP 55 2.917 -16.203 -11.745 417 HB2 ASP 55 2HB ASP 55 0.631 -15.480 -10.186 418 HB3 ASP 55 3HB ASP 55 0.214 -16.874 -11.179 Start of MODEL 17 1 H1 ALA 1 H ALA 1 0.383 -0.021 0.018 2 HA ALA 1 HA ALA 1 2.003 0.872 -2.251 3 HB1 ALA 1 1HB ALA 1 3.230 -0.962 -0.322 4 HB2 ALA 1 2HB ALA 1 3.815 0.574 -0.963 5 HB3 ALA 1 3HB ALA 1 2.659 0.558 0.369 6 H LYS 2 H LYS 2 0.352 -1.912 -0.998 7 HA LYS 2 HA LYS 2 1.592 -3.665 -2.986 8 HB2 LYS 2 2HB LYS 2 -0.075 -4.123 -0.537 9 HB3 LYS 2 3HB LYS 2 0.023 -5.372 -1.772 10 HG2 LYS 2 2HG LYS 2 2.327 -5.664 -1.451 11 HG3 LYS 2 3HG LYS 2 2.477 -4.153 -0.550 12 HD2 LYS 2 2HD LYS 2 2.246 -5.329 1.325 13 HD3 LYS 2 3HD LYS 2 0.584 -5.676 0.842 14 HE2 LYS 2 2HE LYS 2 1.707 -7.560 -0.581 15 HE3 LYS 2 3HE LYS 2 3.039 -7.353 0.555 16 HZ1 LYS 2 3HZ LYS 2 0.786 -8.873 0.930 17 HZ2 LYS 2 1HZ LYS 2 0.537 -7.511 1.902 18 HZ3 LYS 2 2HZ LYS 2 1.926 -8.454 2.108 19 H TYR 3 H TYR 3 0.677 -3.854 -4.912 20 HA TYR 3 HA TYR 3 -2.220 -3.385 -5.151 21 HB2 TYR 3 2HB TYR 3 -0.021 -3.061 -7.200 22 HB3 TYR 3 3HB TYR 3 -1.737 -2.883 -7.549 23 HD1 TYR 3 HD1 TYR 3 -2.968 -1.199 -5.840 24 HD2 TYR 3 HD2 TYR 3 1.167 -1.123 -6.840 25 HE1 TYR 3 HE1 TYR 3 -2.859 1.170 -5.187 26 HE2 TYR 3 HE2 TYR 3 1.288 1.245 -6.188 27 HH TYR 3 HH TYR 3 -1.120 2.791 -4.422 28 H THR 4 H THR 4 -3.504 -4.951 -5.923 29 HA THR 4 HA THR 4 -2.225 -7.474 -6.727 30 HB THR 4 HB THR 4 -5.105 -7.570 -6.193 31 HG1 THR 4 HG1 THR 4 -5.081 -6.847 -4.187 32 HG21 THR 4 3HG2 THR 4 -3.312 -9.446 -6.428 33 HG22 THR 4 1HG2 THR 4 -4.590 -9.612 -5.225 34 HG23 THR 4 2HG2 THR 4 -2.979 -9.089 -4.734 35 H GLY 5 H GLY 5 -2.366 -8.114 -8.775 36 HA2 GLY 5 2HA GLY 5 -4.652 -7.205 -10.390 37 HA3 GLY 5 3HA GLY 5 -3.019 -6.952 -10.988 38 H LYS 6 H LYS 6 -4.934 -8.411 -12.396 39 HA LYS 6 HA LYS 6 -3.919 -11.167 -12.146 40 HB2 LYS 6 2HB LYS 6 -6.531 -10.248 -13.362 41 HB3 LYS 6 3HB LYS 6 -5.991 -11.915 -13.211 42 HG2 LYS 6 2HG LYS 6 -7.007 -12.017 -11.251 43 HG3 LYS 6 3HG LYS 6 -5.864 -10.824 -10.631 44 HD2 LYS 6 2HD LYS 6 -7.996 -9.925 -10.198 45 HD3 LYS 6 3HD LYS 6 -7.410 -9.060 -11.621 46 HE2 LYS 6 2HE LYS 6 -8.983 -9.953 -12.970 47 HE3 LYS 6 3HE LYS 6 -8.930 -11.522 -12.167 48 HZ1 LYS 6 3HZ LYS 6 -10.832 -9.505 -11.868 49 HZ2 LYS 6 1HZ LYS 6 -10.008 -9.630 -10.395 50 HZ3 LYS 6 2HZ LYS 6 -10.757 -10.991 -11.064 51 H CYS 7 H CYS 7 -3.178 -12.221 -13.961 52 HA CYS 7 HA CYS 7 -3.006 -10.620 -16.428 53 HB2 CYS 7 2HB CYS 7 -0.754 -11.122 -16.721 54 HB3 CYS 7 3HB CYS 7 -0.856 -10.879 -14.980 55 H THR 8 H THR 8 -2.519 -11.969 -18.374 56 HA THR 8 HA THR 8 -3.936 -14.546 -18.185 57 HB THR 8 HB THR 8 -3.966 -13.877 -20.862 58 HG1 THR 8 HG1 THR 8 -4.835 -11.670 -20.746 59 HG21 THR 8 3HG2 THR 8 -6.237 -12.931 -19.209 60 HG22 THR 8 1HG2 THR 8 -5.771 -14.622 -19.032 61 HG23 THR 8 2HG2 THR 8 -6.226 -13.993 -20.616 62 H LYS 9 H LYS 9 -3.189 -16.301 -19.434 63 HA LYS 9 HA LYS 9 -0.333 -16.407 -19.696 64 HB2 LYS 9 2HB LYS 9 -0.602 -18.723 -20.097 65 HB3 LYS 9 3HB LYS 9 -1.833 -18.301 -18.914 66 HG2 LYS 9 2HG LYS 9 -3.529 -18.272 -20.636 67 HG3 LYS 9 3HG LYS 9 -2.310 -18.586 -21.874 68 HD2 LYS 9 2HD LYS 9 -2.868 -20.441 -19.565 69 HD3 LYS 9 3HD LYS 9 -3.627 -20.596 -21.151 70 HE2 LYS 9 2HE LYS 9 -1.353 -20.752 -22.151 71 HE3 LYS 9 3HE LYS 9 -0.682 -20.758 -20.520 72 HZ1 LYS 9 3HZ LYS 9 -0.945 -22.946 -20.554 73 HZ2 LYS 9 1HZ LYS 9 -1.824 -22.900 -21.999 74 HZ3 LYS 9 2HZ LYS 9 -2.619 -22.707 -20.519 75 H SER 10 H SER 10 -2.997 -15.812 -21.803 76 HA SER 10 HA SER 10 -1.540 -16.426 -24.224 77 HB2 SER 10 2HB SER 10 -3.546 -15.598 -25.381 78 HB3 SER 10 3HB SER 10 -3.975 -16.765 -24.130 79 HG SER 10 HG SER 10 -5.207 -15.261 -23.359 80 H LYS 11 H LYS 11 -2.732 -13.502 -22.595 81 HA LYS 11 HA LYS 11 -1.304 -11.801 -24.469 82 HB2 LYS 11 2HB LYS 11 -3.638 -11.369 -23.373 83 HB3 LYS 11 3HB LYS 11 -2.690 -10.799 -22.006 84 HG2 LYS 11 2HG LYS 11 -2.542 -8.825 -22.989 85 HG3 LYS 11 3HG LYS 11 -1.594 -9.570 -24.277 86 HD2 LYS 11 2HD LYS 11 -4.588 -9.698 -24.311 87 HD3 LYS 11 3HD LYS 11 -3.742 -8.262 -24.892 88 HE2 LYS 11 2HE LYS 11 -2.622 -9.498 -26.578 89 HE3 LYS 11 3HE LYS 11 -3.117 -11.037 -25.875 90 HZ1 LYS 11 3HZ LYS 11 -4.367 -9.898 -27.918 91 HZ2 LYS 11 1HZ LYS 11 -5.263 -9.235 -26.646 92 HZ3 LYS 11 2HZ LYS 11 -5.146 -10.914 -26.813 93 H ASN 12 H ASN 12 -0.718 -13.336 -21.502 94 HA ASN 12 HA ASN 12 0.889 -13.135 -19.892 95 HB2 ASN 12 2HB ASN 12 2.171 -13.679 -22.029 96 HB3 ASN 12 3HB ASN 12 2.590 -11.970 -22.095 97 HD21 ASN 12 1HD2 ASN 12 4.567 -13.798 -21.967 98 HD22 ASN 12 2HD2 ASN 12 5.329 -13.756 -20.417 99 H GLU 13 H GLU 13 -0.882 -10.880 -20.125 100 HA GLU 13 HA GLU 13 0.900 -8.774 -19.094 101 HB2 GLU 13 2HB GLU 13 -0.028 -8.210 -21.341 102 HB3 GLU 13 3HB GLU 13 -1.645 -8.314 -20.658 103 HG2 GLU 13 2HG GLU 13 -0.911 -6.533 -19.013 104 HG3 GLU 13 3HG GLU 13 0.505 -6.316 -20.041 105 H CYS 14 H CYS 14 0.380 -7.945 -17.157 106 HA CYS 14 HA CYS 14 -1.968 -9.042 -15.809 107 HB2 CYS 14 2HB CYS 14 0.468 -9.002 -14.870 108 HB3 CYS 14 3HB CYS 14 0.100 -7.327 -14.471 109 H LYS 15 H LYS 15 -3.234 -7.615 -14.382 110 HA LYS 15 HA LYS 15 -3.304 -4.812 -15.230 111 HB2 LYS 15 2HB LYS 15 -4.946 -5.758 -16.658 112 HB3 LYS 15 3HB LYS 15 -5.594 -6.765 -15.370 113 HG2 LYS 15 2HG LYS 15 -7.116 -4.966 -15.805 114 HG3 LYS 15 3HG LYS 15 -6.379 -4.723 -14.219 115 HD2 LYS 15 2HD LYS 15 -5.659 -2.717 -14.848 116 HD3 LYS 15 3HD LYS 15 -4.751 -3.445 -16.175 117 HE2 LYS 15 2HE LYS 15 -7.655 -2.629 -16.253 118 HE3 LYS 15 3HE LYS 15 -6.315 -1.744 -16.980 119 HZ1 LYS 15 3HZ LYS 15 -6.998 -4.537 -17.705 120 HZ2 LYS 15 1HZ LYS 15 -5.939 -3.491 -18.509 121 HZ3 LYS 15 2HZ LYS 15 -7.603 -3.191 -18.533 122 H TYR 16 H TYR 16 -3.342 -3.535 -13.509 123 HA TYR 16 HA TYR 16 -4.830 -4.361 -11.129 124 HB2 TYR 16 2HB TYR 16 -3.004 -3.837 -9.635 125 HB3 TYR 16 3HB TYR 16 -2.453 -5.031 -10.806 126 HD1 TYR 16 HD2 TYR 16 -0.953 -4.328 -12.666 127 HD2 TYR 16 HD1 TYR 16 -1.995 -1.686 -9.498 128 HE1 TYR 16 HE2 TYR 16 0.939 -2.875 -13.263 129 HE2 TYR 16 HE1 TYR 16 -0.106 -0.225 -10.087 130 HH TYR 16 HH TYR 16 2.340 -1.187 -12.298 131 H LYS 17 H LYS 17 -5.105 -2.550 -9.576 132 HA LYS 17 HA LYS 17 -5.470 -0.040 -11.052 133 HB2 LYS 17 2HB LYS 17 -6.906 -1.383 -8.835 134 HB3 LYS 17 3HB LYS 17 -6.823 0.372 -8.756 135 HG2 LYS 17 2HG LYS 17 -7.855 0.551 -10.938 136 HG3 LYS 17 3HG LYS 17 -7.870 -1.207 -11.098 137 HD2 LYS 17 2HD LYS 17 -9.228 -1.167 -8.902 138 HD3 LYS 17 3HD LYS 17 -9.488 0.539 -9.273 139 HE2 LYS 17 2HE LYS 17 -11.239 -0.166 -10.472 140 HE3 LYS 17 3HE LYS 17 -10.046 -0.681 -11.663 141 HZ1 LYS 17 3HZ LYS 17 -11.287 -2.577 -11.330 142 HZ2 LYS 17 1HZ LYS 17 -11.492 -2.300 -9.674 143 HZ3 LYS 17 2HZ LYS 17 -9.998 -2.829 -10.264 144 H ASN 18 H ASN 18 -4.255 1.679 -10.615 145 HA ASN 18 HA ASN 18 -2.219 1.541 -8.600 146 HB2 ASN 18 2HB ASN 18 -1.306 3.435 -9.588 147 HB3 ASN 18 3HB ASN 18 -2.157 2.699 -10.943 148 HD21 ASN 18 1HD2 ASN 18 -4.526 3.440 -11.078 149 HD22 ASN 18 2HD2 ASN 18 -4.778 5.142 -10.926 150 H ASP 19 H ASP 19 -1.885 3.788 -7.369 151 HA ASP 19 HA ASP 19 -3.744 3.856 -5.304 152 HB2 ASP 19 2HB ASP 19 -1.627 4.731 -4.799 153 HB3 ASP 19 3HB ASP 19 -1.627 5.790 -6.206 154 H ALA 20 H ALA 20 -3.561 5.766 -8.252 155 HA ALA 20 HA ALA 20 -5.562 7.649 -7.561 156 HB1 ALA 20 1HB ALA 20 -3.769 7.516 -9.548 157 HB2 ALA 20 2HB ALA 20 -5.206 6.968 -10.413 158 HB3 ALA 20 3HB ALA 20 -5.206 8.538 -9.609 159 H GLY 21 H GLY 21 -5.740 4.358 -8.314 160 HA2 GLY 21 2HA GLY 21 -7.702 3.072 -8.183 161 HA3 GLY 21 3HA GLY 21 -8.649 4.527 -8.454 162 H LYS 22 H LYS 22 -6.661 5.065 -10.762 163 HA LYS 22 HA LYS 22 -8.323 4.120 -12.831 164 HB2 LYS 22 2HB LYS 22 -5.465 5.087 -13.029 165 HB3 LYS 22 3HB LYS 22 -6.618 4.984 -14.352 166 HG2 LYS 22 2HG LYS 22 -7.836 6.797 -13.611 167 HG3 LYS 22 3HG LYS 22 -7.255 6.640 -11.952 168 HD2 LYS 22 2HD LYS 22 -5.093 7.471 -12.561 169 HD3 LYS 22 3HD LYS 22 -5.504 7.428 -14.277 170 HE2 LYS 22 2HE LYS 22 -7.207 9.142 -13.914 171 HE3 LYS 22 3HE LYS 22 -6.815 9.175 -12.195 172 HZ1 LYS 22 3HZ LYS 22 -4.416 9.606 -13.280 173 HZ2 LYS 22 1HZ LYS 22 -5.474 10.844 -12.820 174 HZ3 LYS 22 2HZ LYS 22 -5.403 10.349 -14.436 175 H ASP 23 H ASP 23 -8.296 2.316 -14.037 176 HA ASP 23 HA ASP 23 -6.759 0.080 -13.192 177 HB2 ASP 23 2HB ASP 23 -7.884 -1.143 -14.941 178 HB3 ASP 23 3HB ASP 23 -9.050 -0.070 -14.172 179 H THR 24 H THR 24 -4.767 -0.473 -13.751 180 HA THR 24 HA THR 24 -3.693 0.514 -16.312 181 HB THR 24 HB THR 24 -1.973 0.117 -13.872 182 HG1 THR 24 HG1 THR 24 -2.823 1.886 -13.098 183 HG21 THR 24 3HG2 THR 24 -1.474 2.018 -16.128 184 HG22 THR 24 1HG2 THR 24 -1.126 0.302 -16.332 185 HG23 THR 24 2HG2 THR 24 -0.319 1.221 -15.061 186 H PHE 25 H PHE 25 -2.739 -0.959 -17.589 187 HA PHE 25 HA PHE 25 -2.309 -3.652 -16.472 188 HB2 PHE 25 2HB PHE 25 -2.673 -4.414 -18.882 189 HB3 PHE 25 3HB PHE 25 -4.092 -3.840 -18.013 190 HD1 PHE 25 HD2 PHE 25 -5.059 -1.642 -18.533 191 HD2 PHE 25 HD1 PHE 25 -1.828 -3.258 -20.784 192 HE1 PHE 25 HE2 PHE 25 -5.503 -0.020 -20.329 193 HE2 PHE 25 HE1 PHE 25 -2.267 -1.638 -22.583 194 HZ PHE 25 HZ PHE 25 -4.107 -0.017 -22.357 195 H ILE 26 H ILE 26 -0.349 -4.552 -16.687 196 HA ILE 26 HA ILE 26 1.572 -3.293 -18.527 197 HB ILE 26 HB ILE 26 1.953 -2.595 -16.142 198 HG12 ILE 26 2HG1 ILE 26 4.405 -4.058 -16.618 199 HG13 ILE 26 3HG1 ILE 26 3.770 -3.398 -18.121 200 HG21 ILE 26 1HG2 ILE 26 2.707 -5.494 -15.793 201 HG22 ILE 26 2HG2 ILE 26 2.920 -4.213 -14.601 202 HG23 ILE 26 3HG2 ILE 26 1.297 -4.705 -15.086 203 HD11 ILE 26 3HD1 ILE 26 5.105 -2.069 -15.946 204 HD12 ILE 26 1HD1 ILE 26 4.742 -1.488 -17.571 205 HD13 ILE 26 2HD1 ILE 26 3.543 -1.325 -16.287 206 H LYS 27 H LYS 27 3.000 -4.650 -19.548 207 HA LYS 27 HA LYS 27 2.237 -7.362 -19.841 208 HB2 LYS 27 2HB LYS 27 4.412 -7.502 -21.165 209 HB3 LYS 27 3HB LYS 27 3.213 -6.347 -21.733 210 HG2 LYS 27 2HG LYS 27 5.096 -5.202 -19.827 211 HG3 LYS 27 3HG LYS 27 5.864 -5.825 -21.289 212 HD2 LYS 27 2HD LYS 27 4.277 -4.509 -22.647 213 HD3 LYS 27 3HD LYS 27 3.588 -3.846 -21.163 214 HE2 LYS 27 2HE LYS 27 5.334 -2.454 -20.819 215 HE3 LYS 27 3HE LYS 27 6.513 -3.612 -21.433 216 HZ1 LYS 27 3HZ LYS 27 6.595 -2.271 -23.197 217 HZ2 LYS 27 1HZ LYS 27 5.150 -1.483 -22.805 218 HZ3 LYS 27 2HZ LYS 27 5.111 -2.950 -23.645 219 H CYS 28 H CYS 28 3.341 -9.258 -19.269 220 HA CYS 28 HA CYS 28 4.979 -8.978 -16.853 221 HB2 CYS 28 2HB CYS 28 3.064 -10.995 -17.857 222 HB3 CYS 28 3HB CYS 28 4.468 -11.636 -17.010 223 HA PRO 29 HA PRO 29 8.672 -10.464 -18.697 224 HB2 PRO 29 2HB PRO 29 9.664 -12.124 -16.792 225 HB3 PRO 29 3HB PRO 29 9.644 -10.365 -16.617 226 HG2 PRO 29 2HG PRO 29 7.759 -12.402 -15.495 227 HG3 PRO 29 3HG PRO 29 8.462 -10.975 -14.710 228 HD2 PRO 29 2HD PRO 29 5.938 -11.003 -15.691 229 HD3 PRO 29 3HD PRO 29 6.941 -9.538 -15.677 230 H LYS 30 H LYS 30 9.411 -12.065 -20.013 231 HA LYS 30 HA LYS 30 7.750 -14.464 -20.217 232 HB2 LYS 30 2HB LYS 30 8.382 -12.861 -22.181 233 HB3 LYS 30 3HB LYS 30 9.908 -13.735 -22.168 234 HG2 LYS 30 2HG LYS 30 8.869 -15.087 -23.618 235 HG3 LYS 30 3HG LYS 30 8.152 -15.792 -22.167 236 HD2 LYS 30 2HD LYS 30 6.128 -15.206 -22.872 237 HD3 LYS 30 3HD LYS 30 6.620 -13.511 -22.903 238 HE2 LYS 30 2HE LYS 30 6.062 -13.774 -25.097 239 HE3 LYS 30 3HE LYS 30 7.753 -14.264 -25.174 240 HZ1 LYS 30 3HZ LYS 30 6.057 -15.758 -26.294 241 HZ2 LYS 30 1HZ LYS 30 5.586 -16.228 -24.739 242 HZ3 LYS 30 2HZ LYS 30 7.170 -16.508 -25.264 243 H PHE 31 H PHE 31 10.275 -13.728 -18.442 244 HA PHE 31 HA PHE 31 12.115 -15.831 -19.116 245 HB2 PHE 31 2HB PHE 31 11.904 -13.819 -16.905 246 HB3 PHE 31 3HB PHE 31 13.002 -15.186 -16.735 247 HD1 PHE 31 HD1 PHE 31 14.961 -15.393 -18.142 248 HD2 PHE 31 HD2 PHE 31 12.321 -12.075 -18.516 249 HE1 PHE 31 HE1 PHE 31 16.663 -14.190 -19.450 250 HE2 PHE 31 HE2 PHE 31 14.018 -10.868 -19.826 251 HZ PHE 31 HZ PHE 31 16.192 -11.925 -20.295 252 H ASP 32 H ASP 32 12.562 -17.692 -17.874 253 HA ASP 32 HA ASP 32 10.314 -19.126 -17.012 254 HB2 ASP 32 2HB ASP 32 12.080 -20.701 -16.016 255 HB3 ASP 32 3HB ASP 32 12.142 -20.412 -17.753 256 H ASN 33 H ASN 33 12.255 -16.835 -15.384 257 HA ASN 33 HA ASN 33 11.860 -17.761 -12.720 258 HB2 ASN 33 2HB ASN 33 13.594 -16.045 -13.683 259 HB3 ASN 33 3HB ASN 33 12.320 -14.871 -13.368 260 HD21 ASN 33 1HD2 ASN 33 12.686 -13.842 -11.552 261 HD22 ASN 33 2HD2 ASN 33 13.284 -14.535 -10.087 262 H LYS 34 H LYS 34 10.056 -15.721 -14.909 263 HA LYS 34 HA LYS 34 7.744 -15.870 -13.187 264 HB2 LYS 34 2HB LYS 34 9.264 -13.332 -13.600 265 HB3 LYS 34 3HB LYS 34 7.509 -13.256 -13.525 266 HG2 LYS 34 2HG LYS 34 7.699 -13.162 -11.321 267 HG3 LYS 34 3HG LYS 34 8.235 -14.844 -11.362 268 HD2 LYS 34 2HD LYS 34 9.975 -13.847 -10.230 269 HD3 LYS 34 3HD LYS 34 10.565 -13.774 -11.892 270 HE2 LYS 34 2HE LYS 34 10.248 -11.510 -12.048 271 HE3 LYS 34 3HE LYS 34 8.944 -11.501 -10.861 272 HZ1 LYS 34 3HZ LYS 34 11.747 -12.066 -10.101 273 HZ2 LYS 34 1HZ LYS 34 10.458 -11.615 -9.101 274 HZ3 LYS 34 2HZ LYS 34 11.139 -10.489 -10.163 275 H LYS 35 H LYS 35 6.017 -16.178 -14.425 276 HA LYS 35 HA LYS 35 5.532 -14.725 -16.827 277 HB2 LYS 35 2HB LYS 35 5.728 -16.434 -18.454 278 HB3 LYS 35 3HB LYS 35 7.231 -16.469 -17.541 279 HG2 LYS 35 2HG LYS 35 6.454 -18.383 -16.277 280 HG3 LYS 35 3HG LYS 35 4.898 -18.325 -17.110 281 HD2 LYS 35 2HD LYS 35 5.809 -19.783 -18.544 282 HD3 LYS 35 3HD LYS 35 6.687 -18.394 -19.189 283 HE2 LYS 35 2HE LYS 35 8.649 -19.057 -18.293 284 HE3 LYS 35 3HE LYS 35 7.891 -19.669 -16.824 285 HZ1 LYS 35 3HZ LYS 35 8.670 -21.080 -19.176 286 HZ2 LYS 35 1HZ LYS 35 7.044 -21.361 -18.801 287 HZ3 LYS 35 2HZ LYS 35 8.245 -21.683 -17.654 288 H CYS 36 H CYS 36 3.529 -15.598 -17.963 289 HA CYS 36 HA CYS 36 1.627 -16.433 -15.899 290 HB2 CYS 36 2HB CYS 36 1.228 -15.148 -18.606 291 HB3 CYS 36 3HB CYS 36 -0.093 -15.670 -17.566 292 H THR 37 H THR 37 1.089 -18.501 -15.809 293 HA THR 37 HA THR 37 1.358 -20.162 -18.210 294 HB THR 37 HB THR 37 0.961 -22.052 -16.493 295 HG1 THR 37 HG1 THR 37 1.904 -20.125 -14.647 296 HG21 THR 37 3HG2 THR 37 3.113 -21.783 -17.473 297 HG22 THR 37 1HG2 THR 37 3.364 -21.910 -15.733 298 HG23 THR 37 2HG2 THR 37 3.438 -20.334 -16.521 299 H LYS 38 H LYS 38 -0.974 -19.038 -15.855 300 HA LYS 38 HA LYS 38 -3.101 -20.361 -17.409 301 HB2 LYS 38 2HB LYS 38 -2.614 -21.097 -14.936 302 HB3 LYS 38 3HB LYS 38 -3.485 -19.623 -14.532 303 HG2 LYS 38 2HG LYS 38 -5.336 -20.512 -16.051 304 HG3 LYS 38 3HG LYS 38 -4.490 -22.058 -15.960 305 HD2 LYS 38 2HD LYS 38 -4.906 -20.747 -13.370 306 HD3 LYS 38 3HD LYS 38 -6.394 -21.209 -14.201 307 HE2 LYS 38 2HE LYS 38 -4.884 -23.435 -14.553 308 HE3 LYS 38 3HE LYS 38 -4.303 -22.880 -12.983 309 HZ1 LYS 38 3HZ LYS 38 -6.096 -24.273 -12.509 310 HZ2 LYS 38 1HZ LYS 38 -7.054 -23.642 -13.754 311 HZ3 LYS 38 2HZ LYS 38 -6.746 -22.717 -12.372 312 H ASP 39 H ASP 39 -4.979 -19.189 -17.814 313 HA ASP 39 HA ASP 39 -4.637 -16.364 -18.017 314 HB2 ASP 39 2HB ASP 39 -6.874 -18.263 -18.664 315 HB3 ASP 39 3HB ASP 39 -7.125 -16.522 -18.744 316 H ASN 40 H ASN 40 -5.889 -14.721 -17.041 317 HA ASN 40 HA ASN 40 -6.917 -13.645 -15.321 318 HB2 ASN 40 2HB ASN 40 -8.624 -15.615 -15.916 319 HB3 ASN 40 3HB ASN 40 -8.194 -16.127 -14.287 320 HD21 ASN 40 1HD2 ASN 40 -8.367 -14.436 -12.595 321 HD22 ASN 40 2HD2 ASN 40 -9.690 -13.330 -12.700 322 H ASN 41 H ASN 41 -4.394 -15.350 -15.005 323 HA ASN 41 HA ASN 41 -4.228 -16.358 -12.407 324 HB2 ASN 41 2HB ASN 41 -2.393 -15.706 -14.551 325 HB3 ASN 41 3HB ASN 41 -1.701 -15.295 -12.984 326 HD21 ASN 41 1HD2 ASN 41 -0.867 -17.352 -14.811 327 HD22 ASN 41 2HD2 ASN 41 -1.005 -18.854 -13.968 328 H LYS 42 H LYS 42 -2.256 -15.162 -11.024 329 HA LYS 42 HA LYS 42 -3.204 -12.422 -10.515 330 HB2 LYS 42 2HB LYS 42 -3.670 -14.590 -8.848 331 HB3 LYS 42 3HB LYS 42 -2.271 -13.807 -8.125 332 HG2 LYS 42 2HG LYS 42 -4.071 -12.800 -7.067 333 HG3 LYS 42 3HG LYS 42 -3.634 -11.641 -8.324 334 HD2 LYS 42 2HD LYS 42 -6.019 -11.869 -8.313 335 HD3 LYS 42 3HD LYS 42 -5.399 -12.649 -9.770 336 HE2 LYS 42 2HE LYS 42 -6.235 -14.623 -9.162 337 HE3 LYS 42 3HE LYS 42 -5.525 -14.500 -7.553 338 HZ1 LYS 42 3HZ LYS 42 -8.166 -14.441 -8.086 339 HZ2 LYS 42 1HZ LYS 42 -7.809 -12.792 -7.958 340 HZ3 LYS 42 2HZ LYS 42 -7.452 -13.836 -6.676 341 H CYS 43 H CYS 43 -1.666 -10.934 -9.907 342 HA CYS 43 HA CYS 43 1.106 -11.871 -9.658 343 HB2 CYS 43 2HB CYS 43 1.924 -10.244 -11.204 344 HB3 CYS 43 3HB CYS 43 0.615 -11.104 -12.009 345 H THR 44 H THR 44 2.528 -9.814 -9.119 346 HA THR 44 HA THR 44 1.097 -8.054 -7.263 347 HB THR 44 HB THR 44 3.403 -8.519 -5.865 348 HG1 THR 44 HG1 THR 44 3.807 -10.697 -5.881 349 HG21 THR 44 3HG2 THR 44 0.601 -9.018 -5.583 350 HG22 THR 44 1HG2 THR 44 1.804 -8.722 -4.328 351 HG23 THR 44 2HG2 THR 44 1.501 -10.366 -4.890 352 H VAL 45 H VAL 45 2.023 -6.044 -6.963 353 HA VAL 45 HA VAL 45 4.604 -5.467 -8.184 354 HB VAL 45 HB VAL 45 2.080 -4.041 -9.036 355 HG11 VAL 45 1HG1 VAL 45 3.950 -2.495 -8.790 356 HG12 VAL 45 2HG1 VAL 45 4.953 -3.533 -9.805 357 HG13 VAL 45 3HG1 VAL 45 3.543 -2.725 -10.490 358 HG21 VAL 45 3HG2 VAL 45 2.202 -6.085 -10.217 359 HG22 VAL 45 1HG2 VAL 45 2.833 -4.856 -11.313 360 HG23 VAL 45 2HG2 VAL 45 3.942 -5.929 -10.459 361 H ASP 46 H ASP 46 5.716 -4.169 -6.889 362 HA ASP 46 HA ASP 46 4.231 -2.360 -5.097 363 HB2 ASP 46 2HB ASP 46 5.460 -4.438 -4.096 364 HB3 ASP 46 3HB ASP 46 6.913 -3.476 -4.353 365 H THR 47 H THR 47 4.787 -0.273 -5.150 366 HA THR 47 HA THR 47 6.844 0.565 -7.010 367 HB THR 47 HB THR 47 5.697 2.764 -5.554 368 HG1 THR 47 HG1 THR 47 3.914 1.498 -5.123 369 HG21 THR 47 3HG2 THR 47 5.469 1.786 -8.400 370 HG22 THR 47 1HG2 THR 47 6.580 3.005 -7.775 371 HG23 THR 47 2HG2 THR 47 4.849 3.337 -7.835 372 H TYR 48 H TYR 48 6.558 0.036 -3.656 373 HA TYR 48 HA TYR 48 8.616 1.924 -2.894 374 HB2 TYR 48 2HB TYR 48 6.654 0.271 -1.531 375 HB3 TYR 48 3HB TYR 48 8.238 0.154 -0.772 376 HD1 TYR 48 HD2 TYR 48 5.676 2.601 -1.898 377 HD2 TYR 48 HD1 TYR 48 9.005 1.855 0.645 378 HE1 TYR 48 HE2 TYR 48 5.282 4.746 -0.762 379 HE2 TYR 48 HE1 TYR 48 8.620 3.998 1.788 380 HH TYR 48 HH TYR 48 5.785 5.948 1.129 381 H ASN 49 H ASN 49 8.282 -1.569 -3.316 382 HA ASN 49 HA ASN 49 11.162 -1.885 -2.838 383 HB2 ASN 49 2HB ASN 49 9.071 -4.055 -3.095 384 HB3 ASN 49 3HB ASN 49 10.729 -4.241 -2.532 385 HD21 ASN 49 1HD2 ASN 49 7.925 -4.603 -1.355 386 HD22 ASN 49 2HD2 ASN 49 8.038 -3.835 0.188 387 H ASN 50 H ASN 50 9.036 -1.446 -5.337 388 HA ASN 50 HA ASN 50 9.087 -1.798 -7.587 389 HB2 ASN 50 2HB ASN 50 11.408 -0.685 -6.952 390 HB3 ASN 50 3HB ASN 50 12.039 -2.240 -7.487 391 HD21 ASN 50 1HD2 ASN 50 13.017 -0.527 -8.994 392 HD22 ASN 50 2HD2 ASN 50 12.173 -0.278 -10.482 393 H ALA 51 H ALA 51 8.914 -4.152 -5.779 394 HA ALA 51 HA ALA 51 10.172 -6.243 -7.396 395 HB1 ALA 51 1HB ALA 51 8.864 -6.252 -4.692 396 HB2 ALA 51 2HB ALA 51 9.261 -7.741 -5.550 397 HB3 ALA 51 3HB ALA 51 10.540 -6.612 -5.106 398 H VAL 52 H VAL 52 9.071 -7.330 -8.885 399 HA VAL 52 HA VAL 52 6.127 -7.338 -8.733 400 HB VAL 52 HB VAL 52 6.596 -5.921 -10.552 401 HG11 VAL 52 1HG1 VAL 52 8.865 -6.098 -10.971 402 HG12 VAL 52 2HG1 VAL 52 8.801 -7.852 -11.149 403 HG13 VAL 52 3HG1 VAL 52 8.159 -6.812 -12.421 404 HG21 VAL 52 3HG2 VAL 52 6.345 -8.556 -11.962 405 HG22 VAL 52 1HG2 VAL 52 5.045 -7.933 -10.945 406 HG23 VAL 52 2HG2 VAL 52 5.584 -7.013 -12.350 407 H ASP 53 H ASP 53 5.085 -9.237 -9.145 408 HA ASP 53 HA ASP 53 6.667 -11.540 -10.025 409 HB2 ASP 53 2HB ASP 53 5.872 -11.111 -7.340 410 HB3 ASP 53 3HB ASP 53 4.856 -12.402 -7.977 411 H CYS 54 H CYS 54 5.637 -12.694 -11.519 412 HA CYS 54 HA CYS 54 2.764 -12.214 -11.901 413 HB2 CYS 54 2HB CYS 54 4.673 -11.877 -13.725 414 HB3 CYS 54 3HB CYS 54 4.406 -13.600 -13.967 415 H ASP 55 H ASP 55 1.502 -13.726 -11.056 416 HA ASP 55 HA ASP 55 0.792 -15.738 -10.224 417 HB2 ASP 55 2HB ASP 55 0.106 -16.883 -12.017 418 HB3 ASP 55 3HB ASP 55 1.164 -15.883 -13.009 Start of MODEL 18 1 H1 ALA 1 H ALA 1 -0.597 0.424 0.562 2 HA ALA 1 HA ALA 1 1.408 0.721 -0.586 3 HB1 ALA 1 1HB ALA 1 2.505 -1.658 0.725 4 HB2 ALA 1 2HB ALA 1 2.967 0.038 0.873 5 HB3 ALA 1 3HB ALA 1 1.599 -0.586 1.794 6 H LYS 2 H LYS 2 -0.075 -2.390 -0.921 7 HA LYS 2 HA LYS 2 1.645 -2.967 -3.242 8 HB2 LYS 2 2HB LYS 2 0.055 -4.860 -1.503 9 HB3 LYS 2 3HB LYS 2 0.928 -5.335 -2.953 10 HG2 LYS 2 2HG LYS 2 3.000 -5.013 -1.970 11 HG3 LYS 2 3HG LYS 2 2.351 -3.951 -0.718 12 HD2 LYS 2 2HD LYS 2 2.824 -5.985 0.371 13 HD3 LYS 2 3HD LYS 2 1.076 -5.982 0.129 14 HE2 LYS 2 2HE LYS 2 1.508 -7.300 -1.990 15 HE3 LYS 2 3HE LYS 2 3.166 -7.491 -1.424 16 HZ1 LYS 2 3HZ LYS 2 0.693 -8.647 -0.356 17 HZ2 LYS 2 1HZ LYS 2 1.958 -8.322 0.721 18 HZ3 LYS 2 2HZ LYS 2 2.207 -9.366 -0.586 19 H TYR 3 H TYR 3 0.586 -4.036 -5.072 20 HA TYR 3 HA TYR 3 -2.243 -3.252 -5.332 21 HB2 TYR 3 2HB TYR 3 -0.230 -3.232 -7.583 22 HB3 TYR 3 3HB TYR 3 -1.870 -2.592 -7.604 23 HD1 TYR 3 HD1 TYR 3 -2.401 -0.507 -6.388 24 HD2 TYR 3 HD2 TYR 3 1.587 -1.961 -6.683 25 HE1 TYR 3 HE1 TYR 3 -1.552 1.702 -5.718 26 HE2 TYR 3 HE2 TYR 3 2.447 0.244 -6.014 27 HH TYR 3 HH TYR 3 1.530 2.696 -6.152 28 H THR 4 H THR 4 -3.616 -4.763 -6.061 29 HA THR 4 HA THR 4 -2.488 -7.376 -6.786 30 HB THR 4 HB THR 4 -5.396 -7.055 -6.221 31 HG1 THR 4 HG1 THR 4 -3.352 -6.997 -4.233 32 HG21 THR 4 3HG2 THR 4 -3.389 -9.147 -5.380 33 HG22 THR 4 1HG2 THR 4 -4.361 -9.229 -6.849 34 HG23 THR 4 2HG2 THR 4 -5.145 -9.257 -5.269 35 H GLY 5 H GLY 5 -2.507 -7.947 -8.854 36 HA2 GLY 5 2HA GLY 5 -4.731 -7.020 -10.549 37 HA3 GLY 5 3HA GLY 5 -3.072 -6.822 -11.094 38 H LYS 6 H LYS 6 -4.996 -8.248 -12.538 39 HA LYS 6 HA LYS 6 -4.040 -11.020 -12.240 40 HB2 LYS 6 2HB LYS 6 -6.655 -10.000 -13.362 41 HB3 LYS 6 3HB LYS 6 -6.133 -11.677 -13.441 42 HG2 LYS 6 2HG LYS 6 -6.927 -12.062 -11.413 43 HG3 LYS 6 3HG LYS 6 -5.948 -10.755 -10.741 44 HD2 LYS 6 2HD LYS 6 -8.225 -10.260 -10.245 45 HD3 LYS 6 3HD LYS 6 -7.719 -9.157 -11.527 46 HE2 LYS 6 2HE LYS 6 -8.804 -10.555 -13.189 47 HE3 LYS 6 3HE LYS 6 -9.247 -11.725 -11.946 48 HZ1 LYS 6 3HZ LYS 6 -10.870 -10.376 -11.122 49 HZ2 LYS 6 1HZ LYS 6 -10.925 -9.906 -12.746 50 HZ3 LYS 6 2HZ LYS 6 -10.114 -8.946 -11.615 51 H CYS 7 H CYS 7 -3.363 -12.132 -14.063 52 HA CYS 7 HA CYS 7 -3.099 -10.536 -16.526 53 HB2 CYS 7 2HB CYS 7 -0.872 -11.150 -16.808 54 HB3 CYS 7 3HB CYS 7 -0.973 -10.900 -15.068 55 H THR 8 H THR 8 -2.650 -11.912 -18.469 56 HA THR 8 HA THR 8 -4.223 -14.398 -18.302 57 HB THR 8 HB THR 8 -4.082 -13.697 -20.995 58 HG1 THR 8 HG1 THR 8 -4.790 -11.508 -20.972 59 HG21 THR 8 3HG2 THR 8 -6.523 -12.743 -20.141 60 HG22 THR 8 1HG2 THR 8 -6.083 -13.897 -18.883 61 HG23 THR 8 2HG2 THR 8 -6.161 -14.415 -20.567 62 H LYS 9 H LYS 9 -3.533 -16.226 -19.440 63 HA LYS 9 HA LYS 9 -0.686 -16.492 -19.663 64 HB2 LYS 9 2HB LYS 9 -1.890 -18.366 -18.802 65 HB3 LYS 9 3HB LYS 9 -2.978 -18.384 -20.185 66 HG2 LYS 9 2HG LYS 9 -1.162 -19.079 -21.635 67 HG3 LYS 9 3HG LYS 9 -0.031 -18.999 -20.283 68 HD2 LYS 9 2HD LYS 9 -1.918 -20.626 -19.243 69 HD3 LYS 9 3HD LYS 9 -2.051 -21.041 -20.954 70 HE2 LYS 9 2HE LYS 9 0.397 -21.186 -19.205 71 HE3 LYS 9 3HE LYS 9 -0.463 -22.524 -19.966 72 HZ1 LYS 9 3HZ LYS 9 0.143 -21.136 -22.113 73 HZ2 LYS 9 1HZ LYS 9 1.210 -22.270 -21.450 74 HZ3 LYS 9 2HZ LYS 9 1.420 -20.622 -21.131 75 H SER 10 H SER 10 -3.286 -15.828 -21.829 76 HA SER 10 HA SER 10 -1.838 -16.602 -24.207 77 HB2 SER 10 2HB SER 10 -3.951 -15.010 -25.033 78 HB3 SER 10 3HB SER 10 -3.979 -16.767 -24.880 79 HG SER 10 HG SER 10 -5.206 -14.857 -23.354 80 H LYS 11 H LYS 11 -2.863 -13.563 -22.681 81 HA LYS 11 HA LYS 11 -1.320 -12.010 -24.593 82 HB2 LYS 11 2HB LYS 11 -3.638 -11.496 -23.242 83 HB3 LYS 11 3HB LYS 11 -2.466 -10.629 -22.259 84 HG2 LYS 11 2HG LYS 11 -2.449 -8.966 -23.714 85 HG3 LYS 11 3HG LYS 11 -1.934 -10.065 -24.995 86 HD2 LYS 11 2HD LYS 11 -4.180 -10.561 -25.589 87 HD3 LYS 11 3HD LYS 11 -4.807 -9.771 -24.141 88 HE2 LYS 11 2HE LYS 11 -4.440 -7.652 -24.980 89 HE3 LYS 11 3HE LYS 11 -3.186 -8.196 -26.093 90 HZ1 LYS 11 3HZ LYS 11 -5.884 -9.220 -26.526 91 HZ2 LYS 11 1HZ LYS 11 -4.695 -8.790 -27.651 92 HZ3 LYS 11 2HZ LYS 11 -5.616 -7.590 -26.894 93 H ASN 12 H ASN 12 -0.839 -13.499 -21.591 94 HA ASN 12 HA ASN 12 0.768 -13.358 -19.977 95 HB2 ASN 12 2HB ASN 12 2.041 -13.990 -22.092 96 HB3 ASN 12 3HB ASN 12 2.533 -12.302 -22.185 97 HD21 ASN 12 1HD2 ASN 12 4.438 -14.190 -22.019 98 HD22 ASN 12 2HD2 ASN 12 5.190 -14.162 -20.463 99 H GLU 13 H GLU 13 -0.894 -11.018 -20.272 100 HA GLU 13 HA GLU 13 0.977 -8.983 -19.256 101 HB2 GLU 13 2HB GLU 13 0.135 -8.337 -21.471 102 HB3 GLU 13 3HB GLU 13 -1.518 -8.504 -20.895 103 HG2 GLU 13 2HG GLU 13 -0.580 -6.769 -19.078 104 HG3 GLU 13 3HG GLU 13 0.436 -6.345 -20.454 105 H CYS 14 H CYS 14 0.458 -8.018 -17.366 106 HA CYS 14 HA CYS 14 -1.921 -9.022 -15.986 107 HB2 CYS 14 2HB CYS 14 0.497 -9.106 -15.035 108 HB3 CYS 14 3HB CYS 14 0.248 -7.397 -14.690 109 H LYS 15 H LYS 15 -3.137 -7.525 -14.603 110 HA LYS 15 HA LYS 15 -3.048 -4.724 -15.446 111 HB2 LYS 15 2HB LYS 15 -4.683 -5.867 -16.909 112 HB3 LYS 15 3HB LYS 15 -5.569 -6.396 -15.484 113 HG2 LYS 15 2HG LYS 15 -5.084 -3.497 -15.699 114 HG3 LYS 15 3HG LYS 15 -6.181 -4.197 -16.892 115 HD2 LYS 15 2HD LYS 15 -6.458 -4.699 -13.938 116 HD3 LYS 15 3HD LYS 15 -7.236 -3.339 -14.750 117 HE2 LYS 15 2HE LYS 15 -8.465 -4.837 -16.181 118 HE3 LYS 15 3HE LYS 15 -7.597 -6.228 -15.534 119 HZ1 LYS 15 3HZ LYS 15 -9.702 -4.607 -14.278 120 HZ2 LYS 15 1HZ LYS 15 -8.567 -5.388 -13.296 121 HZ3 LYS 15 2HZ LYS 15 -9.540 -6.290 -14.345 122 H TYR 16 H TYR 16 -3.097 -3.452 -13.721 123 HA TYR 16 HA TYR 16 -4.688 -4.240 -11.393 124 HB2 TYR 16 2HB TYR 16 -2.898 -3.775 -9.844 125 HB3 TYR 16 3HB TYR 16 -2.328 -4.961 -11.013 126 HD1 TYR 16 HD2 TYR 16 -0.692 -4.320 -12.735 127 HD2 TYR 16 HD1 TYR 16 -1.930 -1.579 -9.726 128 HE1 TYR 16 HE2 TYR 16 1.240 -2.888 -13.252 129 HE2 TYR 16 HE1 TYR 16 -0.002 -0.139 -10.235 130 HH TYR 16 HH TYR 16 2.614 -1.156 -12.081 131 H LYS 17 H LYS 17 -4.969 -2.426 -9.845 132 HA LYS 17 HA LYS 17 -5.120 0.124 -11.306 133 HB2 LYS 17 2HB LYS 17 -6.887 -1.218 -9.336 134 HB3 LYS 17 3HB LYS 17 -6.762 0.532 -9.217 135 HG2 LYS 17 2HG LYS 17 -7.543 0.810 -11.457 136 HG3 LYS 17 3HG LYS 17 -7.471 -0.929 -11.750 137 HD2 LYS 17 2HD LYS 17 -9.106 -1.025 -9.700 138 HD3 LYS 17 3HD LYS 17 -9.431 0.652 -10.148 139 HE2 LYS 17 2HE LYS 17 -10.172 0.021 -12.310 140 HE3 LYS 17 3HE LYS 17 -9.560 -1.620 -12.116 141 HZ1 LYS 17 3HZ LYS 17 -11.892 -1.691 -11.813 142 HZ2 LYS 17 1HZ LYS 17 -11.875 -0.387 -10.734 143 HZ3 LYS 17 2HZ LYS 17 -11.207 -1.873 -10.277 144 H ASN 18 H ASN 18 -3.946 1.798 -10.631 145 HA ASN 18 HA ASN 18 -2.199 1.507 -8.371 146 HB2 ASN 18 2HB ASN 18 -1.312 3.686 -9.031 147 HB3 ASN 18 3HB ASN 18 -1.465 2.637 -10.437 148 HD21 ASN 18 1HD2 ASN 18 -1.222 5.098 -11.117 149 HD22 ASN 18 2HD2 ASN 18 -2.721 5.845 -11.540 150 H ASP 19 H ASP 19 -1.955 3.619 -6.963 151 HA ASP 19 HA ASP 19 -4.147 3.726 -5.241 152 HB2 ASP 19 2HB ASP 19 -3.002 5.717 -4.246 153 HB3 ASP 19 3HB ASP 19 -1.953 4.316 -4.444 154 H ALA 20 H ALA 20 -3.487 5.472 -8.143 155 HA ALA 20 HA ALA 20 -5.236 7.676 -7.641 156 HB1 ALA 20 1HB ALA 20 -3.352 7.742 -9.257 157 HB2 ALA 20 2HB ALA 20 -4.263 6.651 -10.303 158 HB3 ALA 20 3HB ALA 20 -4.892 8.259 -9.945 159 H GLY 21 H GLY 21 -5.755 4.422 -8.417 160 HA2 GLY 21 2HA GLY 21 -7.871 3.399 -8.487 161 HA3 GLY 21 3HA GLY 21 -8.589 4.961 -8.851 162 H LYS 22 H LYS 22 -6.308 5.197 -10.938 163 HA LYS 22 HA LYS 22 -7.875 4.399 -13.161 164 HB2 LYS 22 2HB LYS 22 -5.188 5.602 -12.754 165 HB3 LYS 22 3HB LYS 22 -5.490 4.824 -14.302 166 HG2 LYS 22 2HG LYS 22 -7.512 6.252 -14.552 167 HG3 LYS 22 3HG LYS 22 -7.030 7.103 -13.083 168 HD2 LYS 22 2HD LYS 22 -4.730 7.225 -14.491 169 HD3 LYS 22 3HD LYS 22 -5.906 7.228 -15.807 170 HE2 LYS 22 2HE LYS 22 -6.770 9.253 -15.212 171 HE3 LYS 22 3HE LYS 22 -6.419 9.022 -13.500 172 HZ1 LYS 22 3HZ LYS 22 -3.961 9.168 -14.430 173 HZ2 LYS 22 1HZ LYS 22 -4.839 10.545 -13.985 174 HZ3 LYS 22 2HZ LYS 22 -4.727 10.103 -15.614 175 H ASP 23 H ASP 23 -7.343 2.852 -14.797 176 HA ASP 23 HA ASP 23 -6.261 0.401 -13.672 177 HB2 ASP 23 2HB ASP 23 -7.701 1.011 -16.256 178 HB3 ASP 23 3HB ASP 23 -7.066 -0.584 -15.860 179 H THR 24 H THR 24 -4.233 -0.218 -13.955 180 HA THR 24 HA THR 24 -2.783 0.738 -16.337 181 HB THR 24 HB THR 24 -1.379 0.217 -13.732 182 HG1 THR 24 HG1 THR 24 -2.947 1.828 -13.313 183 HG21 THR 24 3HG2 THR 24 0.159 0.404 -15.479 184 HG22 THR 24 1HG2 THR 24 0.115 2.031 -14.801 185 HG23 THR 24 2HG2 THR 24 -0.767 1.670 -16.285 186 H PHE 25 H PHE 25 -2.448 -0.955 -17.616 187 HA PHE 25 HA PHE 25 -1.781 -3.544 -16.380 188 HB2 PHE 25 2HB PHE 25 -2.486 -4.470 -18.659 189 HB3 PHE 25 3HB PHE 25 -3.765 -3.845 -17.623 190 HD1 PHE 25 HD1 PHE 25 -1.777 -3.241 -20.644 191 HD2 PHE 25 HD2 PHE 25 -5.004 -1.885 -18.222 192 HE1 PHE 25 HE1 PHE 25 -2.502 -1.743 -22.456 193 HE2 PHE 25 HE2 PHE 25 -5.734 -0.385 -20.030 194 HZ PHE 25 HZ PHE 25 -4.484 -0.313 -22.151 195 H ILE 26 H ILE 26 0.005 -4.671 -17.058 196 HA ILE 26 HA ILE 26 1.665 -3.501 -19.169 197 HB ILE 26 HB ILE 26 2.455 -2.595 -16.989 198 HG12 ILE 26 2HG1 ILE 26 4.660 -4.392 -17.790 199 HG13 ILE 26 3HG1 ILE 26 3.911 -3.487 -19.101 200 HG21 ILE 26 1HG2 ILE 26 3.616 -4.121 -15.442 201 HG22 ILE 26 2HG2 ILE 26 1.890 -4.458 -15.554 202 HG23 ILE 26 3HG2 ILE 26 3.046 -5.491 -16.394 203 HD11 ILE 26 3HD1 ILE 26 5.858 -2.343 -18.165 204 HD12 ILE 26 1HD1 ILE 26 4.379 -1.405 -17.964 205 HD13 ILE 26 2HD1 ILE 26 5.059 -2.284 -16.594 206 H LYS 27 H LYS 27 3.168 -4.947 -20.108 207 HA LYS 27 HA LYS 27 2.285 -7.678 -20.110 208 HB2 LYS 27 2HB LYS 27 4.590 -6.331 -21.528 209 HB3 LYS 27 3HB LYS 27 4.075 -7.989 -21.809 210 HG2 LYS 27 2HG LYS 27 3.002 -6.939 -23.520 211 HG3 LYS 27 3HG LYS 27 1.755 -6.843 -22.274 212 HD2 LYS 27 2HD LYS 27 2.033 -4.701 -23.422 213 HD3 LYS 27 3HD LYS 27 2.476 -4.576 -21.718 214 HE2 LYS 27 2HE LYS 27 4.020 -3.456 -23.405 215 HE3 LYS 27 3HE LYS 27 4.770 -4.510 -22.207 216 HZ1 LYS 27 3HZ LYS 27 4.013 -5.510 -24.883 217 HZ2 LYS 27 1HZ LYS 27 5.111 -6.174 -23.780 218 HZ3 LYS 27 2HZ LYS 27 5.503 -4.756 -24.613 219 H CYS 28 H CYS 28 3.466 -9.512 -19.525 220 HA CYS 28 HA CYS 28 5.506 -9.010 -17.476 221 HB2 CYS 28 2HB CYS 28 3.455 -11.115 -17.908 222 HB3 CYS 28 3HB CYS 28 4.971 -11.625 -17.171 223 HA PRO 29 HA PRO 29 8.774 -10.736 -19.841 224 HB2 PRO 29 2HB PRO 29 10.222 -12.004 -17.927 225 HB3 PRO 29 3HB PRO 29 10.160 -10.244 -18.077 226 HG2 PRO 29 2HG PRO 29 8.649 -12.040 -16.219 227 HG3 PRO 29 3HG PRO 29 9.439 -10.489 -15.880 228 HD2 PRO 29 2HD PRO 29 6.768 -10.711 -16.267 229 HD3 PRO 29 3HD PRO 29 7.684 -9.266 -16.739 230 H LYS 30 H LYS 30 9.477 -12.615 -20.842 231 HA LYS 30 HA LYS 30 7.743 -14.923 -20.493 232 HB2 LYS 30 2HB LYS 30 9.581 -13.935 -22.613 233 HB3 LYS 30 3HB LYS 30 9.324 -15.672 -22.516 234 HG2 LYS 30 2HG LYS 30 6.929 -15.354 -22.760 235 HG3 LYS 30 3HG LYS 30 7.153 -13.603 -22.799 236 HD2 LYS 30 2HD LYS 30 8.487 -13.818 -24.838 237 HD3 LYS 30 3HD LYS 30 8.276 -15.570 -24.795 238 HE2 LYS 30 2HE LYS 30 5.922 -15.364 -25.150 239 HE3 LYS 30 3HE LYS 30 5.989 -13.615 -24.942 240 HZ1 LYS 30 3HZ LYS 30 7.692 -13.914 -26.947 241 HZ2 LYS 30 1HZ LYS 30 6.033 -13.676 -27.180 242 HZ3 LYS 30 2HZ LYS 30 6.682 -15.236 -27.255 243 H PHE 31 H PHE 31 10.270 -13.998 -18.838 244 HA PHE 31 HA PHE 31 12.010 -16.274 -19.027 245 HB2 PHE 31 2HB PHE 31 11.900 -13.773 -17.465 246 HB3 PHE 31 3HB PHE 31 12.647 -15.136 -16.637 247 HD1 PHE 31 HD1 PHE 31 12.702 -13.716 -20.092 248 HD2 PHE 31 HD2 PHE 31 14.927 -15.175 -16.770 249 HE1 PHE 31 HE1 PHE 31 14.796 -13.305 -21.318 250 HE2 PHE 31 HE2 PHE 31 17.024 -14.766 -17.991 251 HZ PHE 31 HZ PHE 31 16.960 -13.828 -20.267 252 H ASP 32 H ASP 32 12.464 -17.692 -17.169 253 HA ASP 32 HA ASP 32 10.060 -18.898 -16.219 254 HB2 ASP 32 2HB ASP 32 12.970 -19.467 -16.026 255 HB3 ASP 32 3HB ASP 32 11.936 -20.172 -14.787 256 H ASN 33 H ASN 33 12.079 -16.419 -15.044 257 HA ASN 33 HA ASN 33 11.701 -16.780 -12.257 258 HB2 ASN 33 2HB ASN 33 12.697 -14.662 -11.990 259 HB3 ASN 33 3HB ASN 33 13.441 -15.314 -13.448 260 HD21 ASN 33 1HD2 ASN 33 12.504 -12.560 -12.240 261 HD22 ASN 33 2HD2 ASN 33 11.876 -11.757 -13.634 262 H LYS 34 H LYS 34 9.852 -15.191 -14.771 263 HA LYS 34 HA LYS 34 7.543 -15.076 -13.050 264 HB2 LYS 34 2HB LYS 34 9.114 -12.658 -13.713 265 HB3 LYS 34 3HB LYS 34 7.372 -12.518 -13.907 266 HG2 LYS 34 2HG LYS 34 7.068 -12.338 -11.719 267 HG3 LYS 34 3HG LYS 34 8.031 -13.784 -11.403 268 HD2 LYS 34 2HD LYS 34 9.638 -11.479 -12.187 269 HD3 LYS 34 3HD LYS 34 8.711 -11.210 -10.709 270 HE2 LYS 34 2HE LYS 34 9.616 -13.422 -9.892 271 HE3 LYS 34 3HE LYS 34 10.709 -13.391 -11.275 272 HZ1 LYS 34 3HZ LYS 34 10.684 -11.683 -8.889 273 HZ2 LYS 34 1HZ LYS 34 11.274 -11.042 -10.339 274 HZ3 LYS 34 2HZ LYS 34 11.991 -12.420 -9.670 275 H LYS 35 H LYS 35 5.857 -15.649 -14.243 276 HA LYS 35 HA LYS 35 5.318 -14.552 -16.814 277 HB2 LYS 35 2HB LYS 35 5.513 -16.546 -18.161 278 HB3 LYS 35 3HB LYS 35 7.067 -16.213 -17.408 279 HG2 LYS 35 2HG LYS 35 6.845 -17.989 -15.899 280 HG3 LYS 35 3HG LYS 35 5.114 -18.145 -16.207 281 HD2 LYS 35 2HD LYS 35 5.548 -19.673 -17.761 282 HD3 LYS 35 3HD LYS 35 6.439 -18.462 -18.685 283 HE2 LYS 35 2HE LYS 35 7.780 -20.477 -18.205 284 HE3 LYS 35 3HE LYS 35 8.478 -19.013 -17.516 285 HZ1 LYS 35 3HZ LYS 35 6.679 -20.498 -15.786 286 HZ2 LYS 35 1HZ LYS 35 8.143 -19.729 -15.425 287 HZ3 LYS 35 2HZ LYS 35 8.146 -21.260 -16.144 288 H CYS 36 H CYS 36 3.371 -15.682 -17.830 289 HA CYS 36 HA CYS 36 1.494 -16.313 -15.671 290 HB2 CYS 36 2HB CYS 36 1.060 -15.443 -18.533 291 HB3 CYS 36 3HB CYS 36 -0.246 -15.886 -17.439 292 H THR 37 H THR 37 0.992 -18.358 -15.303 293 HA THR 37 HA THR 37 1.458 -20.353 -17.392 294 HB THR 37 HB THR 37 2.492 -20.977 -15.350 295 HG1 THR 37 HG1 THR 37 1.123 -22.847 -14.741 296 HG21 THR 37 3HG2 THR 37 1.578 -19.698 -13.656 297 HG22 THR 37 1HG2 THR 37 0.905 -21.286 -13.292 298 HG23 THR 37 2HG2 THR 37 -0.080 -20.079 -14.118 299 H LYS 38 H LYS 38 -1.080 -18.675 -15.840 300 HA LYS 38 HA LYS 38 -3.041 -20.185 -17.363 301 HB2 LYS 38 2HB LYS 38 -2.667 -20.948 -14.787 302 HB3 LYS 38 3HB LYS 38 -3.879 -19.692 -14.572 303 HG2 LYS 38 2HG LYS 38 -5.394 -21.250 -15.014 304 HG3 LYS 38 3HG LYS 38 -4.846 -21.179 -16.691 305 HD2 LYS 38 2HD LYS 38 -4.336 -23.342 -16.477 306 HD3 LYS 38 3HD LYS 38 -2.989 -22.820 -15.462 307 HE2 LYS 38 2HE LYS 38 -4.279 -23.116 -13.476 308 HE3 LYS 38 3HE LYS 38 -5.755 -23.377 -14.405 309 HZ1 LYS 38 3HZ LYS 38 -5.025 -25.489 -13.732 310 HZ2 LYS 38 1HZ LYS 38 -3.417 -25.177 -14.159 311 HZ3 LYS 38 2HZ LYS 38 -4.588 -25.376 -15.363 312 H ASP 39 H ASP 39 -4.987 -19.056 -17.720 313 HA ASP 39 HA ASP 39 -4.725 -16.250 -17.883 314 HB2 ASP 39 2HB ASP 39 -7.223 -16.376 -18.454 315 HB3 ASP 39 3HB ASP 39 -6.110 -17.246 -19.507 316 H ASN 40 H ASN 40 -6.429 -14.728 -17.005 317 HA ASN 40 HA ASN 40 -7.142 -13.597 -15.153 318 HB2 ASN 40 2HB ASN 40 -8.864 -14.743 -13.858 319 HB3 ASN 40 3HB ASN 40 -9.050 -15.107 -15.572 320 HD21 ASN 40 1HD2 ASN 40 -8.008 -16.344 -12.477 321 HD22 ASN 40 2HD2 ASN 40 -8.086 -18.017 -12.902 322 H ASN 41 H ASN 41 -4.529 -14.987 -14.963 323 HA ASN 41 HA ASN 41 -4.168 -16.111 -12.413 324 HB2 ASN 41 2HB ASN 41 -2.551 -15.521 -14.639 325 HB3 ASN 41 3HB ASN 41 -1.821 -14.671 -13.280 326 HD21 ASN 41 1HD2 ASN 41 -1.003 -17.064 -14.851 327 HD22 ASN 41 2HD2 ASN 41 -0.707 -18.290 -13.670 328 H LYS 42 H LYS 42 -2.178 -14.763 -11.140 329 HA LYS 42 HA LYS 42 -3.286 -12.116 -10.509 330 HB2 LYS 42 2HB LYS 42 -3.472 -14.409 -8.854 331 HB3 LYS 42 3HB LYS 42 -2.287 -13.338 -8.117 332 HG2 LYS 42 2HG LYS 42 -4.347 -12.750 -7.167 333 HG3 LYS 42 3HG LYS 42 -4.008 -11.495 -8.362 334 HD2 LYS 42 2HD LYS 42 -6.316 -12.130 -8.555 335 HD3 LYS 42 3HD LYS 42 -5.452 -12.726 -9.974 336 HE2 LYS 42 2HE LYS 42 -5.270 -14.778 -8.093 337 HE3 LYS 42 3HE LYS 42 -6.925 -14.185 -7.963 338 HZ1 LYS 42 3HZ LYS 42 -5.822 -15.830 -9.943 339 HZ2 LYS 42 1HZ LYS 42 -6.282 -14.375 -10.675 340 HZ3 LYS 42 2HZ LYS 42 -7.416 -15.280 -9.805 341 H CYS 43 H CYS 43 -1.802 -10.627 -9.614 342 HA CYS 43 HA CYS 43 1.018 -11.439 -9.636 343 HB2 CYS 43 2HB CYS 43 0.230 -8.802 -10.824 344 HB3 CYS 43 3HB CYS 43 1.697 -9.742 -11.080 345 H THR 44 H THR 44 2.365 -9.387 -8.886 346 HA THR 44 HA THR 44 0.955 -7.973 -6.745 347 HB THR 44 HB THR 44 3.491 -8.673 -5.689 348 HG1 THR 44 HG1 THR 44 3.219 -10.485 -7.240 349 HG21 THR 44 3HG2 THR 44 2.258 -8.994 -3.836 350 HG22 THR 44 1HG2 THR 44 1.168 -10.121 -4.642 351 HG23 THR 44 2HG2 THR 44 0.919 -8.383 -4.806 352 H VAL 45 H VAL 45 1.738 -5.955 -6.310 353 HA VAL 45 HA VAL 45 4.265 -5.131 -7.537 354 HB VAL 45 HB VAL 45 1.720 -3.548 -7.901 355 HG11 VAL 45 1HG1 VAL 45 3.778 -2.217 -7.799 356 HG12 VAL 45 2HG1 VAL 45 4.467 -3.193 -9.098 357 HG13 VAL 45 3HG1 VAL 45 3.055 -2.182 -9.406 358 HG21 VAL 45 3HG2 VAL 45 3.203 -5.286 -9.872 359 HG22 VAL 45 1HG2 VAL 45 1.588 -5.570 -9.224 360 HG23 VAL 45 2HG2 VAL 45 1.884 -4.189 -10.280 361 H ASP 46 H ASP 46 5.447 -4.004 -6.145 362 HA ASP 46 HA ASP 46 4.074 -2.664 -3.907 363 HB2 ASP 46 2HB ASP 46 6.193 -4.585 -3.916 364 HB3 ASP 46 3HB ASP 46 6.819 -3.063 -3.286 365 H THR 47 H THR 47 4.416 -0.546 -3.600 366 HA THR 47 HA THR 47 5.985 0.888 -5.564 367 HB THR 47 HB THR 47 4.993 2.656 -3.564 368 HG1 THR 47 HG1 THR 47 3.171 1.765 -2.988 369 HG21 THR 47 3HG2 THR 47 4.170 2.021 -6.393 370 HG22 THR 47 1HG2 THR 47 5.217 3.327 -5.841 371 HG23 THR 47 2HG2 THR 47 3.494 3.358 -5.463 372 H TYR 48 H TYR 48 6.408 -0.282 -2.387 373 HA TYR 48 HA TYR 48 8.377 1.678 -1.600 374 HB2 TYR 48 2HB TYR 48 6.766 0.149 -0.131 375 HB3 TYR 48 3HB TYR 48 8.145 -0.943 -0.199 376 HD1 TYR 48 HD1 TYR 48 7.453 2.677 0.453 377 HD2 TYR 48 HD2 TYR 48 9.691 -0.787 1.501 378 HE1 TYR 48 HE1 TYR 48 8.527 3.929 2.278 379 HE2 TYR 48 HE2 TYR 48 10.770 0.455 3.329 380 HH TYR 48 HH TYR 48 10.276 2.448 4.743 381 H ASN 49 H ASN 49 8.355 -1.665 -2.749 382 HA ASN 49 HA ASN 49 11.288 -1.621 -2.879 383 HB2 ASN 49 2HB ASN 49 9.425 -3.980 -3.227 384 HB3 ASN 49 3HB ASN 49 11.180 -4.037 -3.083 385 HD21 ASN 49 1HD2 ASN 49 8.825 -5.081 -1.464 386 HD22 ASN 49 2HD2 ASN 49 9.209 -4.627 0.157 387 H ASN 50 H ASN 50 8.646 -1.028 -4.791 388 HA ASN 50 HA ASN 50 8.262 -0.918 -7.035 389 HB2 ASN 50 2HB ASN 50 10.488 0.442 -6.584 390 HB3 ASN 50 3HB ASN 50 11.205 -0.843 -7.552 391 HD21 ASN 50 1HD2 ASN 50 8.765 1.682 -7.529 392 HD22 ASN 50 2HD2 ASN 50 8.708 1.900 -9.242 393 H ALA 51 H ALA 51 8.650 -3.571 -5.874 394 HA ALA 51 HA ALA 51 9.881 -5.053 -8.083 395 HB1 ALA 51 1HB ALA 51 9.517 -7.031 -6.540 396 HB2 ALA 51 2HB ALA 51 10.673 -5.814 -5.997 397 HB3 ALA 51 3HB ALA 51 9.051 -5.858 -5.308 398 H VAL 52 H VAL 52 8.765 -6.644 -9.234 399 HA VAL 52 HA VAL 52 5.846 -6.708 -8.879 400 HB VAL 52 HB VAL 52 7.277 -6.433 -11.526 401 HG11 VAL 52 1HG1 VAL 52 4.465 -7.094 -10.794 402 HG12 VAL 52 2HG1 VAL 52 4.771 -6.127 -12.238 403 HG13 VAL 52 3HG1 VAL 52 5.474 -7.738 -12.089 404 HG21 VAL 52 3HG2 VAL 52 7.204 -4.255 -10.977 405 HG22 VAL 52 1HG2 VAL 52 5.491 -4.386 -11.373 406 HG23 VAL 52 2HG2 VAL 52 6.020 -4.516 -9.696 407 H ASP 53 H ASP 53 4.948 -8.681 -9.010 408 HA ASP 53 HA ASP 53 6.471 -10.867 -10.228 409 HB2 ASP 53 2HB ASP 53 6.413 -10.522 -7.492 410 HB3 ASP 53 3HB ASP 53 5.105 -11.670 -7.766 411 H CYS 54 H CYS 54 5.205 -11.747 -11.711 412 HA CYS 54 HA CYS 54 2.304 -11.853 -11.206 413 HB2 CYS 54 2HB CYS 54 2.111 -12.009 -13.718 414 HB3 CYS 54 3HB CYS 54 2.709 -10.469 -13.109 415 H ASP 55 H ASP 55 1.210 -13.756 -11.494 416 HA ASP 55 HA ASP 55 2.869 -16.156 -11.617 417 HB2 ASP 55 2HB ASP 55 0.467 -15.411 -10.232 418 HB3 ASP 55 3HB ASP 55 0.155 -16.844 -11.207 Start of MODEL 19 1 H1 ALA 1 H ALA 1 0.489 -0.616 0.680 2 HA ALA 1 HA ALA 1 2.056 0.462 -1.560 3 HB1 ALA 1 1HB ALA 1 2.839 0.099 0.990 4 HB2 ALA 1 2HB ALA 1 3.326 -1.447 0.292 5 HB3 ALA 1 3HB ALA 1 3.940 0.061 -0.387 6 H LYS 2 H LYS 2 0.463 -2.385 -0.381 7 HA LYS 2 HA LYS 2 1.644 -4.039 -2.487 8 HB2 LYS 2 2HB LYS 2 0.161 -4.588 0.039 9 HB3 LYS 2 3HB LYS 2 0.033 -5.765 -1.261 10 HG2 LYS 2 2HG LYS 2 2.770 -5.085 -0.968 11 HG3 LYS 2 3HG LYS 2 2.114 -5.433 0.633 12 HD2 LYS 2 2HD LYS 2 1.689 -7.236 -1.741 13 HD3 LYS 2 3HD LYS 2 3.056 -7.408 -0.637 14 HE2 LYS 2 2HE LYS 2 1.581 -7.802 1.216 15 HE3 LYS 2 3HE LYS 2 0.168 -7.437 0.227 16 HZ1 LYS 2 3HZ LYS 2 0.085 -9.632 -0.080 17 HZ2 LYS 2 1HZ LYS 2 1.677 -9.878 0.439 18 HZ3 LYS 2 2HZ LYS 2 1.370 -9.416 -1.159 19 H TYR 3 H TYR 3 0.656 -4.207 -4.379 20 HA TYR 3 HA TYR 3 -2.259 -3.785 -4.487 21 HB2 TYR 3 2HB TYR 3 -0.152 -3.174 -6.567 22 HB3 TYR 3 3HB TYR 3 -1.885 -3.061 -6.850 23 HD1 TYR 3 HD1 TYR 3 -3.224 -1.360 -5.609 24 HD2 TYR 3 HD2 TYR 3 1.026 -1.449 -5.435 25 HE1 TYR 3 HE1 TYR 3 -3.216 0.949 -4.759 26 HE2 TYR 3 HE2 TYR 3 1.046 0.859 -4.584 27 HH TYR 3 HH TYR 3 -1.955 2.567 -3.835 28 H THR 4 H THR 4 -3.497 -5.343 -5.342 29 HA THR 4 HA THR 4 -2.148 -7.751 -6.335 30 HB THR 4 HB THR 4 -5.076 -7.696 -5.737 31 HG1 THR 4 HG1 THR 4 -4.463 -6.884 -3.828 32 HG21 THR 4 3HG2 THR 4 -3.278 -9.859 -4.829 33 HG22 THR 4 1HG2 THR 4 -3.433 -9.657 -6.574 34 HG23 THR 4 2HG2 THR 4 -4.867 -9.949 -5.588 35 H GLY 5 H GLY 5 -2.174 -8.207 -8.434 36 HA2 GLY 5 2HA GLY 5 -4.402 -7.170 -10.067 37 HA3 GLY 5 3HA GLY 5 -2.737 -6.980 -10.597 38 H LYS 6 H LYS 6 -4.703 -8.276 -12.117 39 HA LYS 6 HA LYS 6 -3.812 -11.082 -11.984 40 HB2 LYS 6 2HB LYS 6 -6.375 -9.988 -13.158 41 HB3 LYS 6 3HB LYS 6 -5.903 -11.682 -13.120 42 HG2 LYS 6 2HG LYS 6 -6.865 -11.900 -11.143 43 HG3 LYS 6 3HG LYS 6 -5.760 -10.699 -10.471 44 HD2 LYS 6 2HD LYS 6 -7.768 -9.693 -10.023 45 HD3 LYS 6 3HD LYS 6 -7.436 -9.016 -11.619 46 HE2 LYS 6 2HE LYS 6 -8.738 -11.123 -12.456 47 HE3 LYS 6 3HE LYS 6 -9.387 -11.132 -10.817 48 HZ1 LYS 6 3HZ LYS 6 -9.792 -8.613 -11.383 49 HZ2 LYS 6 1HZ LYS 6 -10.902 -9.805 -11.838 50 HZ3 LYS 6 2HZ LYS 6 -9.803 -9.196 -12.970 51 H CYS 7 H CYS 7 -3.193 -12.114 -13.884 52 HA CYS 7 HA CYS 7 -2.835 -10.365 -16.228 53 HB2 CYS 7 2HB CYS 7 -0.663 -11.231 -16.613 54 HB3 CYS 7 3HB CYS 7 -0.722 -10.851 -14.895 55 H THR 8 H THR 8 -2.621 -11.521 -18.283 56 HA THR 8 HA THR 8 -4.339 -13.904 -18.308 57 HB THR 8 HB THR 8 -5.219 -12.086 -19.638 58 HG1 THR 8 HG1 THR 8 -5.642 -13.330 -21.356 59 HG21 THR 8 3HG2 THR 8 -3.943 -11.296 -21.646 60 HG22 THR 8 1HG2 THR 8 -2.530 -12.135 -21.006 61 HG23 THR 8 2HG2 THR 8 -3.250 -10.803 -20.101 62 H LYS 9 H LYS 9 -3.843 -15.644 -19.766 63 HA LYS 9 HA LYS 9 -1.003 -16.207 -19.848 64 HB2 LYS 9 2HB LYS 9 -2.391 -18.002 -19.104 65 HB3 LYS 9 3HB LYS 9 -3.454 -17.843 -20.496 66 HG2 LYS 9 2HG LYS 9 -1.533 -18.523 -21.941 67 HG3 LYS 9 3HG LYS 9 -0.624 -18.862 -20.466 68 HD2 LYS 9 2HD LYS 9 -2.707 -20.311 -19.854 69 HD3 LYS 9 3HD LYS 9 -3.013 -20.265 -21.592 70 HE2 LYS 9 2HE LYS 9 -0.413 -21.145 -20.345 71 HE3 LYS 9 3HE LYS 9 -1.702 -22.245 -20.833 72 HZ1 LYS 9 3HZ LYS 9 -0.818 -20.366 -22.859 73 HZ2 LYS 9 1HZ LYS 9 -1.203 -22.008 -22.997 74 HZ3 LYS 9 2HZ LYS 9 0.316 -21.541 -22.417 75 H SER 10 H SER 10 -3.470 -15.148 -21.999 76 HA SER 10 HA SER 10 -2.111 -15.967 -24.408 77 HB2 SER 10 2HB SER 10 -4.350 -13.952 -24.209 78 HB3 SER 10 3HB SER 10 -3.912 -14.956 -25.591 79 HG SER 10 HG SER 10 -5.033 -15.810 -23.129 80 H LYS 11 H LYS 11 -2.767 -12.873 -22.781 81 HA LYS 11 HA LYS 11 -0.877 -11.522 -24.543 82 HB2 LYS 11 2HB LYS 11 -3.244 -10.714 -23.420 83 HB3 LYS 11 3HB LYS 11 -2.064 -9.979 -22.343 84 HG2 LYS 11 2HG LYS 11 -2.673 -8.435 -24.094 85 HG3 LYS 11 3HG LYS 11 -0.983 -8.914 -24.271 86 HD2 LYS 11 2HD LYS 11 -2.473 -10.772 -25.754 87 HD3 LYS 11 3HD LYS 11 -3.162 -9.191 -26.127 88 HE2 LYS 11 2HE LYS 11 -0.205 -9.427 -26.095 89 HE3 LYS 11 3HE LYS 11 -1.065 -10.188 -27.433 90 HZ1 LYS 11 3HZ LYS 11 -0.313 -7.746 -27.643 91 HZ2 LYS 11 1HZ LYS 11 -1.669 -7.404 -26.691 92 HZ3 LYS 11 2HZ LYS 11 -1.858 -8.175 -28.184 93 H ASN 12 H ASN 12 -0.901 -13.066 -21.539 94 HA ASN 12 HA ASN 12 0.534 -13.140 -19.767 95 HB2 ASN 12 2HB ASN 12 1.959 -13.915 -21.696 96 HB3 ASN 12 3HB ASN 12 2.595 -12.276 -21.803 97 HD21 ASN 12 1HD2 ASN 12 4.520 -13.858 -21.468 98 HD22 ASN 12 2HD2 ASN 12 5.062 -13.999 -19.833 99 H GLU 13 H GLU 13 -0.857 -10.737 -19.894 100 HA GLU 13 HA GLU 13 1.146 -8.866 -18.819 101 HB2 GLU 13 2HB GLU 13 0.097 -7.014 -19.823 102 HB3 GLU 13 3HB GLU 13 0.171 -8.229 -21.091 103 HG2 GLU 13 2HG GLU 13 -2.237 -8.809 -20.118 104 HG3 GLU 13 3HG GLU 13 -2.164 -7.106 -19.670 105 H CYS 14 H CYS 14 0.710 -8.013 -16.867 106 HA CYS 14 HA CYS 14 -1.705 -8.927 -15.514 107 HB2 CYS 14 2HB CYS 14 0.809 -8.930 -14.636 108 HB3 CYS 14 3HB CYS 14 0.370 -7.307 -14.114 109 H LYS 15 H LYS 15 -2.715 -7.344 -13.936 110 HA LYS 15 HA LYS 15 -2.662 -4.571 -14.826 111 HB2 LYS 15 2HB LYS 15 -5.042 -4.443 -15.210 112 HB3 LYS 15 3HB LYS 15 -4.366 -5.699 -16.238 113 HG2 LYS 15 2HG LYS 15 -6.117 -6.882 -15.481 114 HG3 LYS 15 3HG LYS 15 -5.058 -7.174 -14.100 115 HD2 LYS 15 2HD LYS 15 -6.831 -6.409 -12.928 116 HD3 LYS 15 3HD LYS 15 -6.165 -4.832 -13.358 117 HE2 LYS 15 2HE LYS 15 -8.294 -6.313 -14.899 118 HE3 LYS 15 3HE LYS 15 -8.584 -4.977 -13.785 119 HZ1 LYS 15 3HZ LYS 15 -7.145 -4.897 -16.374 120 HZ2 LYS 15 1HZ LYS 15 -7.072 -3.637 -15.248 121 HZ3 LYS 15 2HZ LYS 15 -8.554 -4.065 -15.942 122 H TYR 16 H TYR 16 -2.730 -3.262 -13.123 123 HA TYR 16 HA TYR 16 -4.077 -4.187 -10.678 124 HB2 TYR 16 2HB TYR 16 -2.263 -3.193 -9.334 125 HB3 TYR 16 3HB TYR 16 -1.678 -4.497 -10.361 126 HD1 TYR 16 HD2 TYR 16 -1.743 -0.839 -9.901 127 HD2 TYR 16 HD1 TYR 16 -0.073 -4.087 -12.083 128 HE1 TYR 16 HE2 TYR 16 -0.038 0.670 -10.831 129 HE2 TYR 16 HE1 TYR 16 1.637 -2.587 -13.019 130 HH TYR 16 HH TYR 16 2.515 0.169 -11.829 131 H LYS 17 H LYS 17 -4.547 -2.389 -9.152 132 HA LYS 17 HA LYS 17 -5.396 -0.022 -10.665 133 HB2 LYS 17 2HB LYS 17 -6.617 -1.638 -8.622 134 HB3 LYS 17 3HB LYS 17 -6.509 0.029 -8.072 135 HG2 LYS 17 2HG LYS 17 -7.604 0.728 -10.198 136 HG3 LYS 17 3HG LYS 17 -7.845 -0.980 -10.572 137 HD2 LYS 17 2HD LYS 17 -8.848 -0.862 -8.058 138 HD3 LYS 17 3HD LYS 17 -9.238 0.756 -8.644 139 HE2 LYS 17 2HE LYS 17 -9.830 -1.603 -10.371 140 HE3 LYS 17 3HE LYS 17 -10.894 -1.247 -9.012 141 HZ1 LYS 17 3HZ LYS 17 -10.172 0.804 -11.019 142 HZ2 LYS 17 1HZ LYS 17 -11.449 0.828 -9.908 143 HZ3 LYS 17 2HZ LYS 17 -11.496 -0.228 -11.229 144 H ASN 18 H ASN 18 -4.217 1.755 -10.469 145 HA ASN 18 HA ASN 18 -2.240 2.034 -8.409 146 HB2 ASN 18 2HB ASN 18 -1.676 4.139 -9.514 147 HB3 ASN 18 3HB ASN 18 -1.849 2.852 -10.704 148 HD21 ASN 18 1HD2 ASN 18 -1.960 5.142 -11.823 149 HD22 ASN 18 2HD2 ASN 18 -3.568 5.670 -12.171 150 H ASP 19 H ASP 19 -2.087 4.308 -7.337 151 HA ASP 19 HA ASP 19 -4.134 4.520 -5.456 152 HB2 ASP 19 2HB ASP 19 -1.628 5.566 -5.696 153 HB3 ASP 19 3HB ASP 19 -2.619 6.997 -5.965 154 H ALA 20 H ALA 20 -3.862 5.846 -8.628 155 HA ALA 20 HA ALA 20 -5.728 7.982 -8.295 156 HB1 ALA 20 1HB ALA 20 -3.940 7.702 -10.115 157 HB2 ALA 20 2HB ALA 20 -5.121 6.668 -10.921 158 HB3 ALA 20 3HB ALA 20 -5.509 8.356 -10.586 159 H GLY 21 H GLY 21 -6.057 4.615 -8.534 160 HA2 GLY 21 2HA GLY 21 -8.083 3.460 -8.233 161 HA3 GLY 21 3HA GLY 21 -8.954 4.900 -8.738 162 H LYS 22 H LYS 22 -6.913 4.972 -11.067 163 HA LYS 22 HA LYS 22 -8.616 3.664 -12.947 164 HB2 LYS 22 2HB LYS 22 -6.114 5.274 -13.078 165 HB3 LYS 22 3HB LYS 22 -6.502 4.257 -14.459 166 HG2 LYS 22 2HG LYS 22 -8.824 5.389 -14.335 167 HG3 LYS 22 3HG LYS 22 -7.990 6.606 -13.366 168 HD2 LYS 22 2HD LYS 22 -6.659 5.818 -15.880 169 HD3 LYS 22 3HD LYS 22 -8.178 6.700 -16.054 170 HE2 LYS 22 2HE LYS 22 -6.284 8.230 -16.027 171 HE3 LYS 22 3HE LYS 22 -7.308 8.476 -14.613 172 HZ1 LYS 22 3HZ LYS 22 -4.787 8.390 -14.286 173 HZ2 LYS 22 1HZ LYS 22 -4.942 6.717 -14.481 174 HZ3 LYS 22 2HZ LYS 22 -5.752 7.500 -13.220 175 H ASP 23 H ASP 23 -8.103 1.929 -14.338 176 HA ASP 23 HA ASP 23 -6.411 -0.078 -13.084 177 HB2 ASP 23 2HB ASP 23 -8.330 -0.240 -15.415 178 HB3 ASP 23 3HB ASP 23 -7.420 -1.607 -14.780 179 H THR 24 H THR 24 -4.403 -0.475 -13.712 180 HA THR 24 HA THR 24 -3.583 0.371 -16.416 181 HB THR 24 HB THR 24 -1.606 0.099 -14.182 182 HG1 THR 24 HG1 THR 24 -3.390 1.531 -13.539 183 HG21 THR 24 3HG2 THR 24 -0.830 0.406 -16.500 184 HG22 THR 24 1HG2 THR 24 -0.391 1.768 -15.471 185 HG23 THR 24 2HG2 THR 24 -1.743 1.912 -16.594 186 H PHE 25 H PHE 25 -2.848 -1.169 -17.725 187 HA PHE 25 HA PHE 25 -2.130 -3.769 -16.543 188 HB2 PHE 25 2HB PHE 25 -2.714 -4.701 -18.808 189 HB3 PHE 25 3HB PHE 25 -4.071 -4.011 -17.924 190 HD1 PHE 25 HD2 PHE 25 -1.782 -3.557 -20.753 191 HD2 PHE 25 HD1 PHE 25 -5.200 -2.054 -18.710 192 HE1 PHE 25 HE2 PHE 25 -2.291 -2.110 -22.676 193 HE2 PHE 25 HE1 PHE 25 -5.715 -0.605 -20.631 194 HZ PHE 25 HZ PHE 25 -4.259 -0.631 -22.617 195 H ILE 26 H ILE 26 -0.227 -4.737 -17.078 196 HA ILE 26 HA ILE 26 1.463 -3.491 -19.118 197 HB ILE 26 HB ILE 26 2.042 -2.506 -16.886 198 HG12 ILE 26 2HG1 ILE 26 4.510 -3.920 -17.437 199 HG13 ILE 26 3HG1 ILE 26 3.703 -3.458 -18.931 200 HG21 ILE 26 1HG2 ILE 26 1.603 -4.477 -15.518 201 HG22 ILE 26 2HG2 ILE 26 2.951 -5.317 -16.283 202 HG23 ILE 26 3HG2 ILE 26 3.252 -3.897 -15.281 203 HD11 ILE 26 3HD1 ILE 26 3.573 -1.133 -18.054 204 HD12 ILE 26 1HD1 ILE 26 4.562 -1.651 -16.689 205 HD13 ILE 26 2HD1 ILE 26 5.212 -1.723 -18.327 206 H LYS 27 H LYS 27 2.915 -4.869 -20.101 207 HA LYS 27 HA LYS 27 2.281 -7.626 -20.081 208 HB2 LYS 27 2HB LYS 27 4.400 -7.788 -21.509 209 HB3 LYS 27 3HB LYS 27 3.091 -6.785 -22.121 210 HG2 LYS 27 2HG LYS 27 4.978 -5.306 -20.472 211 HG3 LYS 27 3HG LYS 27 5.721 -6.044 -21.893 212 HD2 LYS 27 2HD LYS 27 3.951 -5.014 -23.292 213 HD3 LYS 27 3HD LYS 27 3.333 -4.200 -21.853 214 HE2 LYS 27 2HE LYS 27 5.023 -2.698 -21.817 215 HE3 LYS 27 3HE LYS 27 6.213 -3.865 -22.391 216 HZ1 LYS 27 3HZ LYS 27 4.256 -3.227 -24.378 217 HZ2 LYS 27 1HZ LYS 27 5.945 -3.187 -24.477 218 HZ3 LYS 27 2HZ LYS 27 5.103 -1.858 -23.858 219 H CYS 28 H CYS 28 3.482 -9.405 -19.377 220 HA CYS 28 HA CYS 28 5.278 -8.815 -17.134 221 HB2 CYS 28 2HB CYS 28 3.322 -10.934 -17.729 222 HB3 CYS 28 3HB CYS 28 4.821 -11.507 -17.005 223 HA PRO 29 HA PRO 29 8.867 -10.409 -19.089 224 HB2 PRO 29 2HB PRO 29 10.067 -11.788 -17.083 225 HB3 PRO 29 3HB PRO 29 9.995 -10.023 -17.125 226 HG2 PRO 29 2HG PRO 29 8.281 -11.953 -15.609 227 HG3 PRO 29 3HG PRO 29 8.989 -10.420 -15.066 228 HD2 PRO 29 2HD PRO 29 6.399 -10.640 -15.825 229 HD3 PRO 29 3HD PRO 29 7.345 -9.158 -16.074 230 H LYS 30 H LYS 30 9.701 -12.197 -20.134 231 HA LYS 30 HA LYS 30 8.000 -14.559 -20.121 232 HB2 LYS 30 2HB LYS 30 8.774 -13.367 -22.236 233 HB3 LYS 30 3HB LYS 30 10.368 -14.037 -21.914 234 HG2 LYS 30 2HG LYS 30 9.748 -16.151 -22.469 235 HG3 LYS 30 3HG LYS 30 8.076 -15.916 -21.955 236 HD2 LYS 30 2HD LYS 30 9.034 -14.347 -24.286 237 HD3 LYS 30 3HD LYS 30 8.767 -16.076 -24.519 238 HE2 LYS 30 2HE LYS 30 6.485 -15.885 -23.837 239 HE3 LYS 30 3HE LYS 30 6.722 -14.216 -23.320 240 HZ1 LYS 30 3HZ LYS 30 7.450 -14.570 -26.048 241 HZ2 LYS 30 1HZ LYS 30 6.334 -13.495 -25.366 242 HZ3 LYS 30 2HZ LYS 30 5.853 -15.063 -25.781 243 H PHE 31 H PHE 31 10.217 -13.756 -18.095 244 HA PHE 31 HA PHE 31 12.179 -15.819 -18.295 245 HB2 PHE 31 2HB PHE 31 11.447 -13.737 -16.303 246 HB3 PHE 31 3HB PHE 31 12.354 -15.125 -15.712 247 HD1 PHE 31 HD2 PHE 31 14.540 -15.699 -16.886 248 HD2 PHE 31 HD1 PHE 31 12.526 -11.982 -17.379 249 HE1 PHE 31 HE2 PHE 31 16.628 -14.679 -17.695 250 HE2 PHE 31 HE1 PHE 31 14.611 -10.956 -18.190 251 HZ PHE 31 HZ PHE 31 16.666 -12.305 -18.347 252 H ASP 32 H ASP 32 12.325 -17.759 -17.221 253 HA ASP 32 HA ASP 32 9.908 -19.111 -16.656 254 HB2 ASP 32 2HB ASP 32 12.749 -19.759 -16.767 255 HB3 ASP 32 3HB ASP 32 11.912 -20.634 -15.487 256 H ASN 33 H ASN 33 11.911 -17.112 -14.752 257 HA ASN 33 HA ASN 33 11.409 -18.230 -12.197 258 HB2 ASN 33 2HB ASN 33 13.260 -16.707 -12.498 259 HB3 ASN 33 3HB ASN 33 12.176 -15.425 -13.030 260 HD21 ASN 33 1HD2 ASN 33 13.100 -14.130 -11.368 261 HD22 ASN 33 2HD2 ASN 33 12.573 -14.301 -9.731 262 H LYS 34 H LYS 34 9.672 -15.977 -14.235 263 HA LYS 34 HA LYS 34 7.299 -16.298 -12.634 264 HB2 LYS 34 2HB LYS 34 6.980 -14.087 -11.940 265 HB3 LYS 34 3HB LYS 34 8.679 -14.387 -11.599 266 HG2 LYS 34 2HG LYS 34 7.637 -12.972 -14.044 267 HG3 LYS 34 3HG LYS 34 8.271 -12.178 -12.601 268 HD2 LYS 34 2HD LYS 34 9.789 -14.057 -14.411 269 HD3 LYS 34 3HD LYS 34 9.971 -12.303 -14.346 270 HE2 LYS 34 2HE LYS 34 10.590 -14.277 -12.152 271 HE3 LYS 34 3HE LYS 34 11.751 -13.341 -13.093 272 HZ1 LYS 34 3HZ LYS 34 11.600 -12.062 -11.232 273 HZ2 LYS 34 1HZ LYS 34 9.989 -12.476 -10.919 274 HZ3 LYS 34 2HZ LYS 34 10.355 -11.358 -12.135 275 H LYS 35 H LYS 35 5.595 -16.368 -13.947 276 HA LYS 35 HA LYS 35 5.269 -14.636 -16.188 277 HB2 LYS 35 2HB LYS 35 5.172 -16.513 -17.883 278 HB3 LYS 35 3HB LYS 35 6.780 -16.064 -17.333 279 HG2 LYS 35 2HG LYS 35 6.988 -17.992 -16.013 280 HG3 LYS 35 3HG LYS 35 5.260 -18.339 -16.104 281 HD2 LYS 35 2HD LYS 35 5.503 -19.478 -18.009 282 HD3 LYS 35 3HD LYS 35 6.480 -18.198 -18.732 283 HE2 LYS 35 2HE LYS 35 8.408 -19.241 -18.254 284 HE3 LYS 35 3HE LYS 35 7.859 -19.724 -16.650 285 HZ1 LYS 35 3HZ LYS 35 8.049 -21.292 -18.961 286 HZ2 LYS 35 1HZ LYS 35 6.413 -21.186 -18.543 287 HZ3 LYS 35 2HZ LYS 35 7.538 -21.759 -17.418 288 H CYS 36 H CYS 36 3.343 -15.592 -17.607 289 HA CYS 36 HA CYS 36 1.258 -16.283 -15.671 290 HB2 CYS 36 2HB CYS 36 1.355 -14.406 -17.721 291 HB3 CYS 36 3HB CYS 36 0.341 -15.691 -18.370 292 H THR 37 H THR 37 0.607 -18.315 -15.535 293 HA THR 37 HA THR 37 1.141 -20.152 -17.747 294 HB THR 37 HB THR 37 0.278 -21.858 -15.969 295 HG1 THR 37 HG1 THR 37 0.864 -20.965 -13.813 296 HG21 THR 37 3HG2 THR 37 2.899 -20.422 -16.039 297 HG22 THR 37 1HG2 THR 37 2.513 -22.073 -16.521 298 HG23 THR 37 2HG2 THR 37 2.615 -21.655 -14.810 299 H LYS 38 H LYS 38 -1.494 -18.710 -15.963 300 HA LYS 38 HA LYS 38 -3.366 -19.799 -17.933 301 HB2 LYS 38 2HB LYS 38 -3.234 -20.914 -15.456 302 HB3 LYS 38 3HB LYS 38 -4.427 -19.651 -15.183 303 HG2 LYS 38 2HG LYS 38 -5.558 -20.592 -17.309 304 HG3 LYS 38 3HG LYS 38 -4.565 -22.018 -17.002 305 HD2 LYS 38 2HD LYS 38 -6.216 -20.828 -14.807 306 HD3 LYS 38 3HD LYS 38 -6.963 -21.886 -16.007 307 HE2 LYS 38 2HE LYS 38 -6.321 -23.569 -14.685 308 HE3 LYS 38 3HE LYS 38 -4.697 -23.269 -15.302 309 HZ1 LYS 38 3HZ LYS 38 -5.869 -22.137 -12.819 310 HZ2 LYS 38 1HZ LYS 38 -4.338 -21.752 -13.427 311 HZ3 LYS 38 2HZ LYS 38 -4.671 -23.328 -12.911 312 H ASP 39 H ASP 39 -5.283 -18.556 -18.204 313 HA ASP 39 HA ASP 39 -4.881 -15.764 -17.995 314 HB2 ASP 39 2HB ASP 39 -7.295 -15.646 -18.755 315 HB3 ASP 39 3HB ASP 39 -6.211 -16.556 -19.804 316 H ASN 40 H ASN 40 -6.187 -14.215 -16.853 317 HA ASN 40 HA ASN 40 -7.153 -13.328 -14.994 318 HB2 ASN 40 2HB ASN 40 -8.830 -15.297 -15.676 319 HB3 ASN 40 3HB ASN 40 -8.300 -15.931 -14.121 320 HD21 ASN 40 1HD2 ASN 40 -8.442 -14.407 -12.279 321 HD22 ASN 40 2HD2 ASN 40 -9.798 -13.337 -12.224 322 H ASN 41 H ASN 41 -4.572 -14.986 -14.961 323 HA ASN 41 HA ASN 41 -4.251 -16.191 -12.458 324 HB2 ASN 41 2HB ASN 41 -2.614 -15.586 -14.680 325 HB3 ASN 41 3HB ASN 41 -1.814 -14.896 -13.271 326 HD21 ASN 41 1HD2 ASN 41 -1.054 -17.159 -14.948 327 HD22 ASN 41 2HD2 ASN 41 -0.909 -18.513 -13.885 328 H LYS 42 H LYS 42 -2.180 -15.045 -11.140 329 HA LYS 42 HA LYS 42 -3.104 -12.356 -10.392 330 HB2 LYS 42 2HB LYS 42 -3.422 -14.694 -8.835 331 HB3 LYS 42 3HB LYS 42 -2.138 -13.760 -8.078 332 HG2 LYS 42 2HG LYS 42 -4.119 -13.054 -7.046 333 HG3 LYS 42 3HG LYS 42 -3.711 -11.775 -8.192 334 HD2 LYS 42 2HD LYS 42 -6.068 -12.223 -8.341 335 HD3 LYS 42 3HD LYS 42 -5.289 -12.804 -9.815 336 HE2 LYS 42 2HE LYS 42 -5.766 -14.963 -9.368 337 HE3 LYS 42 3HE LYS 42 -5.497 -14.771 -7.636 338 HZ1 LYS 42 3HZ LYS 42 -7.730 -15.058 -7.633 339 HZ2 LYS 42 1HZ LYS 42 -7.946 -14.423 -9.187 340 HZ3 LYS 42 2HZ LYS 42 -7.715 -13.383 -7.873 341 H CYS 43 H CYS 43 -1.519 -10.988 -9.496 342 HA CYS 43 HA CYS 43 1.231 -11.958 -9.414 343 HB2 CYS 43 2HB CYS 43 2.084 -10.323 -10.931 344 HB3 CYS 43 3HB CYS 43 0.750 -11.131 -11.750 345 H THR 44 H THR 44 2.696 -9.940 -8.838 346 HA THR 44 HA THR 44 1.292 -8.271 -6.867 347 HB THR 44 HB THR 44 3.687 -8.630 -5.633 348 HG1 THR 44 HG1 THR 44 4.131 -10.876 -5.718 349 HG21 THR 44 3HG2 THR 44 1.063 -9.081 -5.051 350 HG22 THR 44 1HG2 THR 44 2.403 -9.412 -3.955 351 HG23 THR 44 2HG2 THR 44 1.731 -10.709 -4.943 352 H VAL 45 H VAL 45 2.042 -6.204 -6.643 353 HA VAL 45 HA VAL 45 4.510 -5.433 -8.005 354 HB VAL 45 HB VAL 45 1.878 -4.055 -8.555 355 HG11 VAL 45 1HG1 VAL 45 3.138 -2.708 -10.132 356 HG12 VAL 45 2HG1 VAL 45 3.827 -2.554 -8.515 357 HG13 VAL 45 3HG1 VAL 45 4.619 -3.571 -9.719 358 HG21 VAL 45 3HG2 VAL 45 3.509 -5.999 -10.158 359 HG22 VAL 45 1HG2 VAL 45 1.785 -6.041 -9.787 360 HG23 VAL 45 2HG2 VAL 45 2.412 -4.855 -10.932 361 H ASP 46 H ASP 46 5.652 -4.108 -6.762 362 HA ASP 46 HA ASP 46 4.231 -2.545 -4.706 363 HB2 ASP 46 2HB ASP 46 6.394 -4.409 -4.465 364 HB3 ASP 46 3HB ASP 46 6.963 -2.809 -3.995 365 H THR 47 H THR 47 4.542 -0.400 -4.650 366 HA THR 47 HA THR 47 6.109 0.810 -6.761 367 HB THR 47 HB THR 47 5.061 2.777 -4.971 368 HG1 THR 47 HG1 THR 47 3.535 1.402 -4.196 369 HG21 THR 47 3HG2 THR 47 4.290 1.855 -7.739 370 HG22 THR 47 1HG2 THR 47 5.362 3.189 -7.315 371 HG23 THR 47 2HG2 THR 47 3.637 3.298 -6.964 372 H TYR 48 H TYR 48 6.477 0.093 -3.429 373 HA TYR 48 HA TYR 48 8.399 2.149 -2.855 374 HB2 TYR 48 2HB TYR 48 6.910 0.266 -1.360 375 HB3 TYR 48 3HB TYR 48 8.609 -0.082 -1.058 376 HD1 TYR 48 HD1 TYR 48 6.363 2.903 -1.301 377 HD2 TYR 48 HD2 TYR 48 9.586 1.000 0.724 378 HE1 TYR 48 HE1 TYR 48 6.454 4.770 0.298 379 HE2 TYR 48 HE2 TYR 48 9.685 2.862 2.328 380 HH TYR 48 HH TYR 48 8.951 5.453 2.186 381 H ASN 49 H ASN 49 8.521 -1.302 -3.632 382 HA ASN 49 HA ASN 49 11.448 -1.141 -3.791 383 HB2 ASN 49 2HB ASN 49 9.705 -3.612 -3.878 384 HB3 ASN 49 3HB ASN 49 11.457 -3.559 -3.706 385 HD21 ASN 49 1HD2 ASN 49 8.791 -4.187 -2.058 386 HD22 ASN 49 2HD2 ASN 49 9.252 -3.672 -0.475 387 H ASN 50 H ASN 50 8.792 -0.859 -5.741 388 HA ASN 50 HA ASN 50 8.404 -1.003 -7.982 389 HB2 ASN 50 2HB ASN 50 10.732 0.349 -7.631 390 HB3 ASN 50 3HB ASN 50 11.275 -0.957 -8.682 391 HD21 ASN 50 1HD2 ASN 50 10.828 -0.867 -10.794 392 HD22 ASN 50 2HD2 ASN 50 9.867 0.356 -11.548 393 H ALA 51 H ALA 51 8.869 -3.500 -6.529 394 HA ALA 51 HA ALA 51 10.128 -5.192 -8.562 395 HB1 ALA 51 1HB ALA 51 9.296 -5.712 -5.719 396 HB2 ALA 51 2HB ALA 51 9.820 -6.991 -6.815 397 HB3 ALA 51 3HB ALA 51 10.926 -5.684 -6.393 398 H VAL 52 H VAL 52 9.049 -6.885 -9.568 399 HA VAL 52 HA VAL 52 6.137 -7.014 -9.179 400 HB VAL 52 HB VAL 52 7.532 -6.916 -11.857 401 HG11 VAL 52 1HG1 VAL 52 5.112 -6.828 -12.672 402 HG12 VAL 52 2HG1 VAL 52 5.730 -8.390 -12.131 403 HG13 VAL 52 3HG1 VAL 52 4.681 -7.441 -11.076 404 HG21 VAL 52 3HG2 VAL 52 6.446 -4.864 -10.156 405 HG22 VAL 52 1HG2 VAL 52 7.310 -4.710 -11.686 406 HG23 VAL 52 2HG2 VAL 52 5.562 -4.937 -11.680 407 H ASP 53 H ASP 53 5.246 -9.019 -9.300 408 HA ASP 53 HA ASP 53 6.908 -11.244 -10.232 409 HB2 ASP 53 2HB ASP 53 6.363 -10.678 -7.490 410 HB3 ASP 53 3HB ASP 53 5.484 -12.139 -7.932 411 H CYS 54 H CYS 54 5.793 -12.403 -11.643 412 HA CYS 54 HA CYS 54 2.862 -12.295 -11.569 413 HB2 CYS 54 2HB CYS 54 4.562 -13.367 -13.819 414 HB3 CYS 54 3HB CYS 54 2.876 -12.860 -13.880 415 H ASP 55 H ASP 55 1.612 -14.109 -11.431 416 HA ASP 55 HA ASP 55 2.481 -16.304 -10.016 417 HB2 ASP 55 2HB ASP 55 0.150 -15.939 -10.120 418 HB3 ASP 55 3HB ASP 55 0.144 -15.945 -11.881 Start of MODEL 20 1 H1 ALA 1 H ALA 1 3.591 1.073 -0.905 2 HA ALA 1 HA ALA 1 1.564 0.059 -0.634 3 HB1 ALA 1 1HB ALA 1 0.991 2.224 -1.772 4 HB2 ALA 1 2HB ALA 1 0.893 1.320 -3.284 5 HB3 ALA 1 3HB ALA 1 -0.203 0.939 -1.956 6 H LYS 2 H LYS 2 0.327 -1.750 -1.168 7 HA LYS 2 HA LYS 2 1.534 -3.459 -3.216 8 HB2 LYS 2 2HB LYS 2 -0.103 -3.982 -0.757 9 HB3 LYS 2 3HB LYS 2 0.003 -5.202 -2.020 10 HG2 LYS 2 2HG LYS 2 2.305 -5.485 -1.711 11 HG3 LYS 2 3HG LYS 2 2.455 -3.982 -0.798 12 HD2 LYS 2 2HD LYS 2 2.285 -5.207 1.056 13 HD3 LYS 2 3HD LYS 2 0.597 -5.489 0.624 14 HE2 LYS 2 2HE LYS 2 1.119 -7.658 0.573 15 HE3 LYS 2 3HE LYS 2 1.965 -7.307 -0.933 16 HZ1 LYS 2 3HZ LYS 2 4.004 -7.071 0.227 17 HZ2 LYS 2 1HZ LYS 2 3.302 -8.512 0.769 18 HZ3 LYS 2 2HZ LYS 2 3.243 -7.127 1.737 19 H TYR 3 H TYR 3 0.518 -3.951 -5.051 20 HA TYR 3 HA TYR 3 -2.372 -3.412 -5.235 21 HB2 TYR 3 2HB TYR 3 -0.230 -2.856 -7.292 22 HB3 TYR 3 3HB TYR 3 -1.956 -2.787 -7.630 23 HD1 TYR 3 HD1 TYR 3 -3.309 -1.260 -5.894 24 HD2 TYR 3 HD2 TYR 3 0.831 -0.873 -6.794 25 HE1 TYR 3 HE1 TYR 3 -3.368 1.078 -5.132 26 HE2 TYR 3 HE2 TYR 3 0.784 1.466 -6.034 27 HH TYR 3 HH TYR 3 -2.231 2.976 -4.922 28 H THR 4 H THR 4 -3.603 -4.995 -6.057 29 HA THR 4 HA THR 4 -2.244 -7.439 -6.946 30 HB THR 4 HB THR 4 -3.770 -7.750 -5.076 31 HG1 THR 4 HG1 THR 4 -3.857 -9.555 -6.256 32 HG21 THR 4 3HG2 THR 4 -5.938 -6.739 -6.920 33 HG22 THR 4 1HG2 THR 4 -5.265 -5.842 -5.560 34 HG23 THR 4 2HG2 THR 4 -6.155 -7.338 -5.275 35 H GLY 5 H GLY 5 -2.380 -8.142 -8.987 36 HA2 GLY 5 2HA GLY 5 -4.529 -7.093 -10.702 37 HA3 GLY 5 3HA GLY 5 -2.858 -6.935 -11.223 38 H LYS 6 H LYS 6 -4.806 -8.282 -12.712 39 HA LYS 6 HA LYS 6 -3.931 -11.084 -12.451 40 HB2 LYS 6 2HB LYS 6 -6.432 -10.184 -13.870 41 HB3 LYS 6 3HB LYS 6 -6.004 -11.809 -13.350 42 HG2 LYS 6 2HG LYS 6 -6.131 -10.968 -10.983 43 HG3 LYS 6 3HG LYS 6 -6.825 -9.482 -11.634 44 HD2 LYS 6 2HD LYS 6 -7.981 -12.179 -12.276 45 HD3 LYS 6 3HD LYS 6 -8.441 -11.296 -10.819 46 HE2 LYS 6 2HE LYS 6 -9.407 -9.554 -12.039 47 HE3 LYS 6 3HE LYS 6 -8.560 -10.000 -13.520 48 HZ1 LYS 6 3HZ LYS 6 -9.919 -12.023 -13.607 49 HZ2 LYS 6 1HZ LYS 6 -10.865 -10.621 -13.670 50 HZ3 LYS 6 2HZ LYS 6 -10.769 -11.513 -12.236 51 H CYS 7 H CYS 7 -3.306 -12.198 -14.303 52 HA CYS 7 HA CYS 7 -2.965 -10.568 -16.732 53 HB2 CYS 7 2HB CYS 7 -0.749 -11.210 -16.998 54 HB3 CYS 7 3HB CYS 7 -0.861 -11.015 -15.251 55 H THR 8 H THR 8 -2.530 -11.929 -18.690 56 HA THR 8 HA THR 8 -4.143 -14.392 -18.564 57 HB THR 8 HB THR 8 -3.859 -13.415 -21.252 58 HG1 THR 8 HG1 THR 8 -5.217 -11.572 -19.586 59 HG21 THR 8 3HG2 THR 8 -6.399 -13.264 -20.977 60 HG22 THR 8 1HG2 THR 8 -6.139 -13.878 -19.345 61 HG23 THR 8 2HG2 THR 8 -5.655 -14.845 -20.739 62 H LYS 9 H LYS 9 -3.495 -16.193 -19.789 63 HA LYS 9 HA LYS 9 -0.653 -16.508 -20.004 64 HB2 LYS 9 2HB LYS 9 -1.075 -18.787 -20.374 65 HB3 LYS 9 3HB LYS 9 -2.365 -18.279 -19.293 66 HG2 LYS 9 2HG LYS 9 -3.686 -17.904 -21.513 67 HG3 LYS 9 3HG LYS 9 -2.488 -19.018 -22.177 68 HD2 LYS 9 2HD LYS 9 -4.222 -19.573 -19.770 69 HD3 LYS 9 3HD LYS 9 -4.541 -20.159 -21.404 70 HE2 LYS 9 2HE LYS 9 -1.837 -20.744 -20.506 71 HE3 LYS 9 3HE LYS 9 -3.066 -21.452 -19.460 72 HZ1 LYS 9 3HZ LYS 9 -3.572 -22.956 -20.996 73 HZ2 LYS 9 1HZ LYS 9 -2.175 -22.482 -21.824 74 HZ3 LYS 9 2HZ LYS 9 -3.670 -21.804 -22.230 75 H SER 10 H SER 10 -3.223 -15.704 -22.162 76 HA SER 10 HA SER 10 -1.764 -16.402 -24.557 77 HB2 SER 10 2HB SER 10 -4.049 -14.582 -24.858 78 HB3 SER 10 3HB SER 10 -3.739 -16.141 -25.623 79 HG SER 10 HG SER 10 -5.039 -15.558 -23.215 80 H LYS 11 H LYS 11 -2.764 -13.414 -22.918 81 HA LYS 11 HA LYS 11 -1.194 -11.800 -24.752 82 HB2 LYS 11 2HB LYS 11 -3.305 -11.331 -22.778 83 HB3 LYS 11 3HB LYS 11 -2.036 -10.114 -22.740 84 HG2 LYS 11 2HG LYS 11 -2.414 -10.153 -25.355 85 HG3 LYS 11 3HG LYS 11 -4.006 -10.740 -24.867 86 HD2 LYS 11 2HD LYS 11 -2.896 -8.357 -23.473 87 HD3 LYS 11 3HD LYS 11 -3.494 -8.156 -25.122 88 HE2 LYS 11 2HE LYS 11 -5.554 -8.017 -24.304 89 HE3 LYS 11 3HE LYS 11 -5.418 -9.692 -23.774 90 HZ1 LYS 11 3HZ LYS 11 -5.602 -8.927 -21.715 91 HZ2 LYS 11 1HZ LYS 11 -5.469 -7.316 -22.216 92 HZ3 LYS 11 2HZ LYS 11 -4.076 -8.216 -21.883 93 H ASN 12 H ASN 12 -0.738 -13.423 -21.810 94 HA ASN 12 HA ASN 12 0.875 -13.376 -20.196 95 HB2 ASN 12 2HB ASN 12 2.071 -13.494 -22.701 96 HB3 ASN 12 3HB ASN 12 2.974 -12.234 -21.864 97 HD21 ASN 12 1HD2 ASN 12 4.701 -12.957 -20.877 98 HD22 ASN 12 2HD2 ASN 12 4.888 -14.511 -20.146 99 H GLU 13 H GLU 13 -0.728 -10.986 -20.406 100 HA GLU 13 HA GLU 13 1.191 -9.047 -19.299 101 HB2 GLU 13 2HB GLU 13 0.569 -8.104 -21.375 102 HB3 GLU 13 3HB GLU 13 -1.115 -8.568 -21.172 103 HG2 GLU 13 2HG GLU 13 -1.584 -6.809 -19.801 104 HG3 GLU 13 3HG GLU 13 0.067 -6.694 -19.197 105 H CYS 14 H CYS 14 0.645 -8.092 -17.405 106 HA CYS 14 HA CYS 14 -1.778 -9.083 -16.096 107 HB2 CYS 14 2HB CYS 14 0.662 -9.160 -15.122 108 HB3 CYS 14 3HB CYS 14 0.326 -7.488 -14.682 109 H LYS 15 H LYS 15 -2.921 -7.554 -14.623 110 HA LYS 15 HA LYS 15 -2.797 -4.752 -15.419 111 HB2 LYS 15 2HB LYS 15 -5.141 -4.610 -15.975 112 HB3 LYS 15 3HB LYS 15 -4.391 -5.841 -16.983 113 HG2 LYS 15 2HG LYS 15 -6.192 -7.040 -16.387 114 HG3 LYS 15 3HG LYS 15 -5.241 -7.366 -14.936 115 HD2 LYS 15 2HD LYS 15 -6.401 -5.044 -14.222 116 HD3 LYS 15 3HD LYS 15 -7.643 -5.686 -15.299 117 HE2 LYS 15 2HE LYS 15 -6.912 -7.863 -13.758 118 HE3 LYS 15 3HE LYS 15 -6.885 -6.518 -12.619 119 HZ1 LYS 15 3HZ LYS 15 -9.150 -5.946 -13.426 120 HZ2 LYS 15 1HZ LYS 15 -9.061 -7.434 -12.626 121 HZ3 LYS 15 2HZ LYS 15 -9.160 -7.386 -14.313 122 H TYR 16 H TYR 16 -2.985 -3.495 -13.687 123 HA TYR 16 HA TYR 16 -4.602 -4.406 -11.418 124 HB2 TYR 16 2HB TYR 16 -2.863 -3.778 -9.827 125 HB3 TYR 16 3HB TYR 16 -2.259 -5.007 -10.933 126 HD1 TYR 16 HD2 TYR 16 -0.739 -4.309 -12.813 127 HD2 TYR 16 HD1 TYR 16 -1.810 -1.670 -9.652 128 HE1 TYR 16 HE2 TYR 16 1.173 -2.868 -13.376 129 HE2 TYR 16 HE1 TYR 16 0.098 -0.221 -10.207 130 HH TYR 16 HH TYR 16 1.650 0.242 -11.823 131 H LYS 17 H LYS 17 -5.018 -2.634 -9.845 132 HA LYS 17 HA LYS 17 -5.492 -0.142 -11.304 133 HB2 LYS 17 2HB LYS 17 -6.864 -1.604 -9.172 134 HB3 LYS 17 3HB LYS 17 -6.736 0.121 -8.857 135 HG2 LYS 17 2HG LYS 17 -7.672 0.460 -11.195 136 HG3 LYS 17 3HG LYS 17 -8.074 -1.258 -11.160 137 HD2 LYS 17 2HD LYS 17 -8.963 0.725 -9.070 138 HD3 LYS 17 3HD LYS 17 -9.937 0.262 -10.468 139 HE2 LYS 17 2HE LYS 17 -8.862 -1.693 -8.442 140 HE3 LYS 17 3HE LYS 17 -10.468 -0.972 -8.352 141 HZ1 LYS 17 3HZ LYS 17 -10.695 -1.891 -10.737 142 HZ2 LYS 17 1HZ LYS 17 -10.861 -2.952 -9.430 143 HZ3 LYS 17 2HZ LYS 17 -9.414 -2.907 -10.304 144 H ASN 18 H ASN 18 -4.241 1.568 -10.980 145 HA ASN 18 HA ASN 18 -2.227 1.568 -8.939 146 HB2 ASN 18 2HB ASN 18 -1.321 3.412 -10.024 147 HB3 ASN 18 3HB ASN 18 -2.147 2.587 -11.343 148 HD21 ASN 18 1HD2 ASN 18 -4.520 3.292 -11.555 149 HD22 ASN 18 2HD2 ASN 18 -4.794 4.997 -11.505 150 H ASP 19 H ASP 19 -1.927 3.882 -7.835 151 HA ASP 19 HA ASP 19 -3.810 4.052 -5.798 152 HB2 ASP 19 2HB ASP 19 -2.692 6.069 -5.102 153 HB3 ASP 19 3HB ASP 19 -1.477 4.949 -5.714 154 H ALA 20 H ALA 20 -3.612 5.789 -8.851 155 HA ALA 20 HA ALA 20 -5.639 7.689 -8.290 156 HB1 ALA 20 1HB ALA 20 -5.237 6.845 -11.093 157 HB2 ALA 20 2HB ALA 20 -5.272 8.460 -10.385 158 HB3 ALA 20 3HB ALA 20 -3.822 7.467 -10.244 159 H GLY 21 H GLY 21 -5.773 4.359 -8.867 160 HA2 GLY 21 2HA GLY 21 -7.722 3.058 -8.687 161 HA3 GLY 21 3HA GLY 21 -8.682 4.487 -9.040 162 H LYS 22 H LYS 22 -6.680 4.928 -11.356 163 HA LYS 22 HA LYS 22 -8.315 3.864 -13.388 164 HB2 LYS 22 2HB LYS 22 -5.630 5.188 -13.326 165 HB3 LYS 22 3HB LYS 22 -6.192 4.448 -14.819 166 HG2 LYS 22 2HG LYS 22 -7.124 6.432 -15.225 167 HG3 LYS 22 3HG LYS 22 -8.361 5.924 -14.073 168 HD2 LYS 22 2HD LYS 22 -7.651 8.092 -13.410 169 HD3 LYS 22 3HD LYS 22 -6.945 6.951 -12.263 170 HE2 LYS 22 2HE LYS 22 -4.812 7.229 -13.099 171 HE3 LYS 22 3HE LYS 22 -5.388 7.763 -14.677 172 HZ1 LYS 22 3HZ LYS 22 -4.503 9.369 -12.656 173 HZ2 LYS 22 1HZ LYS 22 -6.185 9.535 -12.584 174 HZ3 LYS 22 2HZ LYS 22 -5.363 9.872 -14.023 175 H ASP 23 H ASP 23 -7.920 2.216 -14.902 176 HA ASP 23 HA ASP 23 -6.581 -0.083 -13.802 177 HB2 ASP 23 2HB ASP 23 -8.026 0.306 -16.431 178 HB3 ASP 23 3HB ASP 23 -7.430 -1.238 -15.830 179 H THR 24 H THR 24 -4.540 -0.632 -14.143 180 HA THR 24 HA THR 24 -3.170 0.454 -16.518 181 HB THR 24 HB THR 24 -1.814 -0.253 -13.916 182 HG1 THR 24 HG1 THR 24 -2.174 1.747 -13.233 183 HG21 THR 24 3HG2 THR 24 -0.402 1.711 -15.305 184 HG22 THR 24 1HG2 THR 24 -0.924 0.568 -16.541 185 HG23 THR 24 2HG2 THR 24 0.020 0.005 -15.162 186 H PHE 25 H PHE 25 -2.358 -0.984 -17.896 187 HA PHE 25 HA PHE 25 -2.108 -3.777 -16.999 188 HB2 PHE 25 2HB PHE 25 -2.293 -4.272 -19.507 189 HB3 PHE 25 3HB PHE 25 -3.753 -3.729 -18.688 190 HD1 PHE 25 HD1 PHE 25 -1.126 -2.825 -21.069 191 HD2 PHE 25 HD2 PHE 25 -4.723 -1.581 -19.164 192 HE1 PHE 25 HE1 PHE 25 -1.358 -1.002 -22.706 193 HE2 PHE 25 HE2 PHE 25 -4.962 0.243 -20.798 194 HZ PHE 25 HZ PHE 25 -3.279 0.533 -22.572 195 H ILE 26 H ILE 26 -0.149 -4.657 -16.970 196 HA ILE 26 HA ILE 26 1.959 -3.471 -18.647 197 HB ILE 26 HB ILE 26 2.133 -2.786 -16.218 198 HG12 ILE 26 2HG1 ILE 26 4.513 -4.436 -17.011 199 HG13 ILE 26 3HG1 ILE 26 4.037 -3.047 -17.981 200 HG21 ILE 26 1HG2 ILE 26 1.397 -4.951 -15.286 201 HG22 ILE 26 2HG2 ILE 26 2.906 -5.675 -15.838 202 HG23 ILE 26 3HG2 ILE 26 2.933 -4.405 -14.615 203 HD11 ILE 26 3HD1 ILE 26 4.056 -1.880 -15.595 204 HD12 ILE 26 1HD1 ILE 26 5.226 -3.161 -15.280 205 HD13 ILE 26 2HD1 ILE 26 5.499 -2.022 -16.599 206 H LYS 27 H LYS 27 3.198 -4.883 -19.735 207 HA LYS 27 HA LYS 27 2.449 -7.601 -19.902 208 HB2 LYS 27 2HB LYS 27 4.099 -7.815 -21.557 209 HB3 LYS 27 3HB LYS 27 3.576 -6.140 -21.682 210 HG2 LYS 27 2HG LYS 27 6.019 -7.038 -20.172 211 HG3 LYS 27 3HG LYS 27 6.032 -6.457 -21.838 212 HD2 LYS 27 2HD LYS 27 5.084 -4.898 -19.433 213 HD3 LYS 27 3HD LYS 27 6.631 -4.683 -20.256 214 HE2 LYS 27 2HE LYS 27 5.370 -4.147 -22.337 215 HE3 LYS 27 3HE LYS 27 3.880 -4.208 -21.396 216 HZ1 LYS 27 3HZ LYS 27 5.754 -2.528 -20.119 217 HZ2 LYS 27 1HZ LYS 27 4.222 -2.141 -20.724 218 HZ3 LYS 27 2HZ LYS 27 5.577 -2.044 -21.730 219 H CYS 28 H CYS 28 3.565 -9.480 -19.295 220 HA CYS 28 HA CYS 28 5.255 -9.127 -16.926 221 HB2 CYS 28 2HB CYS 28 3.461 -11.316 -17.903 222 HB3 CYS 28 3HB CYS 28 4.772 -11.708 -16.795 223 HA PRO 29 HA PRO 29 8.908 -10.628 -18.835 224 HB2 PRO 29 2HB PRO 29 10.004 -12.138 -16.863 225 HB3 PRO 29 3HB PRO 29 9.953 -10.372 -16.805 226 HG2 PRO 29 2HG PRO 29 8.154 -12.364 -15.479 227 HG3 PRO 29 3HG PRO 29 8.855 -10.875 -14.818 228 HD2 PRO 29 2HD PRO 29 6.298 -11.016 -15.698 229 HD3 PRO 29 3HD PRO 29 7.270 -9.535 -15.820 230 H LYS 30 H LYS 30 9.631 -12.300 -20.069 231 HA LYS 30 HA LYS 30 7.961 -14.672 -20.185 232 HB2 LYS 30 2HB LYS 30 9.949 -13.367 -21.972 233 HB3 LYS 30 3HB LYS 30 9.738 -15.106 -22.136 234 HG2 LYS 30 2HG LYS 30 7.429 -14.855 -22.661 235 HG3 LYS 30 3HG LYS 30 7.467 -13.138 -22.253 236 HD2 LYS 30 2HD LYS 30 9.258 -12.967 -24.102 237 HD3 LYS 30 3HD LYS 30 8.657 -14.544 -24.621 238 HE2 LYS 30 2HE LYS 30 6.637 -13.705 -25.288 239 HE3 LYS 30 3HE LYS 30 6.674 -12.387 -24.117 240 HZ1 LYS 30 3HZ LYS 30 7.822 -12.523 -26.799 241 HZ2 LYS 30 1HZ LYS 30 8.680 -11.646 -25.635 242 HZ3 LYS 30 2HZ LYS 30 7.084 -11.226 -26.003 243 H PHE 31 H PHE 31 10.301 -13.940 -18.194 244 HA PHE 31 HA PHE 31 12.124 -16.130 -18.528 245 HB2 PHE 31 2HB PHE 31 11.712 -13.983 -16.493 246 HB3 PHE 31 3HB PHE 31 12.658 -15.397 -16.040 247 HD1 PHE 31 HD2 PHE 31 12.456 -12.554 -18.378 248 HD2 PHE 31 HD1 PHE 31 14.866 -15.701 -16.827 249 HE1 PHE 31 HE2 PHE 31 14.432 -11.570 -19.463 250 HE2 PHE 31 HE1 PHE 31 16.847 -14.721 -17.909 251 HZ PHE 31 HZ PHE 31 16.631 -12.654 -19.230 252 H ASP 32 H ASP 32 12.279 -18.006 -17.302 253 HA ASP 32 HA ASP 32 9.866 -19.253 -16.593 254 HB2 ASP 32 2HB ASP 32 11.441 -20.961 -15.491 255 HB3 ASP 32 3HB ASP 32 11.616 -20.692 -17.223 256 H ASN 33 H ASN 33 11.879 -17.117 -14.849 257 HA ASN 33 HA ASN 33 11.301 -17.996 -12.212 258 HB2 ASN 33 2HB ASN 33 12.012 -15.183 -13.056 259 HB3 ASN 33 3HB ASN 33 12.272 -15.928 -11.481 260 HD21 ASN 33 1HD2 ASN 33 13.904 -14.846 -13.959 261 HD22 ASN 33 2HD2 ASN 33 15.209 -15.976 -14.038 262 H LYS 34 H LYS 34 9.689 -15.876 -14.480 263 HA LYS 34 HA LYS 34 7.285 -15.949 -12.890 264 HB2 LYS 34 2HB LYS 34 8.883 -13.434 -13.234 265 HB3 LYS 34 3HB LYS 34 7.130 -13.354 -13.110 266 HG2 LYS 34 2HG LYS 34 7.489 -13.214 -10.914 267 HG3 LYS 34 3HG LYS 34 7.762 -14.956 -10.998 268 HD2 LYS 34 2HD LYS 34 9.694 -14.344 -9.957 269 HD3 LYS 34 3HD LYS 34 10.214 -14.147 -11.633 270 HE2 LYS 34 2HE LYS 34 9.538 -11.742 -11.465 271 HE3 LYS 34 3HE LYS 34 9.264 -12.000 -9.743 272 HZ1 LYS 34 3HZ LYS 34 11.861 -12.637 -10.999 273 HZ2 LYS 34 1HZ LYS 34 11.517 -12.368 -9.364 274 HZ3 LYS 34 2HZ LYS 34 11.507 -11.075 -10.454 275 H LYS 35 H LYS 35 5.639 -16.200 -14.242 276 HA LYS 35 HA LYS 35 5.326 -14.664 -16.622 277 HB2 LYS 35 2HB LYS 35 5.485 -16.419 -18.265 278 HB3 LYS 35 3HB LYS 35 7.002 -16.341 -17.379 279 HG2 LYS 35 2HG LYS 35 6.598 -18.331 -16.258 280 HG3 LYS 35 3HG LYS 35 4.861 -18.264 -16.564 281 HD2 LYS 35 2HD LYS 35 5.146 -19.541 -18.361 282 HD3 LYS 35 3HD LYS 35 6.162 -18.288 -19.077 283 HE2 LYS 35 2HE LYS 35 7.678 -19.976 -19.064 284 HE3 LYS 35 3HE LYS 35 7.954 -19.373 -17.431 285 HZ1 LYS 35 3HZ LYS 35 7.671 -21.573 -17.002 286 HZ2 LYS 35 1HZ LYS 35 6.625 -21.827 -18.307 287 HZ3 LYS 35 2HZ LYS 35 6.054 -21.086 -16.898 288 H CYS 36 H CYS 36 3.438 -15.727 -17.985 289 HA CYS 36 HA CYS 36 1.338 -16.343 -16.037 290 HB2 CYS 36 2HB CYS 36 1.210 -15.361 -18.893 291 HB3 CYS 36 3HB CYS 36 -0.208 -15.769 -17.933 292 H THR 37 H THR 37 0.739 -18.380 -15.791 293 HA THR 37 HA THR 37 1.300 -20.313 -17.916 294 HB THR 37 HB THR 37 2.128 -20.979 -15.757 295 HG1 THR 37 HG1 THR 37 0.910 -22.955 -15.520 296 HG21 THR 37 3HG2 THR 37 0.415 -21.434 -13.914 297 HG22 THR 37 1HG2 THR 37 -0.671 -20.388 -14.828 298 HG23 THR 37 2HG2 THR 37 0.852 -19.752 -14.207 299 H LYS 38 H LYS 38 -1.329 -18.769 -16.251 300 HA LYS 38 HA LYS 38 -3.207 -20.000 -18.111 301 HB2 LYS 38 2HB LYS 38 -3.017 -20.779 -15.376 302 HB3 LYS 38 3HB LYS 38 -4.519 -19.887 -15.581 303 HG2 LYS 38 2HG LYS 38 -5.417 -21.779 -16.307 304 HG3 LYS 38 3HG LYS 38 -4.440 -21.591 -17.765 305 HD2 LYS 38 2HD LYS 38 -3.722 -23.657 -17.153 306 HD3 LYS 38 3HD LYS 38 -2.605 -22.703 -16.175 307 HE2 LYS 38 2HE LYS 38 -5.194 -23.243 -14.904 308 HE3 LYS 38 3HE LYS 38 -4.221 -24.678 -15.223 309 HZ1 LYS 38 3HZ LYS 38 -2.447 -22.894 -14.179 310 HZ2 LYS 38 1HZ LYS 38 -3.171 -24.176 -13.345 311 HZ3 LYS 38 2HZ LYS 38 -3.845 -22.627 -13.265 312 H ASP 39 H ASP 39 -5.369 -18.916 -18.011 313 HA ASP 39 HA ASP 39 -4.990 -16.070 -17.997 314 HB2 ASP 39 2HB ASP 39 -7.210 -15.936 -18.902 315 HB3 ASP 39 3HB ASP 39 -6.400 -17.297 -19.672 316 H ASN 40 H ASN 40 -6.442 -14.575 -16.871 317 HA ASN 40 HA ASN 40 -7.368 -13.702 -14.986 318 HB2 ASN 40 2HB ASN 40 -8.884 -15.850 -15.492 319 HB3 ASN 40 3HB ASN 40 -8.213 -16.358 -13.945 320 HD21 ASN 40 1HD2 ASN 40 -8.361 -14.702 -12.186 321 HD22 ASN 40 2HD2 ASN 40 -9.823 -13.787 -12.089 322 H ASN 41 H ASN 41 -4.640 -15.082 -15.049 323 HA ASN 41 HA ASN 41 -4.052 -16.169 -12.543 324 HB2 ASN 41 2HB ASN 41 -2.604 -15.377 -14.864 325 HB3 ASN 41 3HB ASN 41 -1.797 -14.679 -13.463 326 HD21 ASN 41 1HD2 ASN 41 -1.261 -16.987 -15.384 327 HD22 ASN 41 2HD2 ASN 41 -0.838 -18.295 -14.337 328 H LYS 42 H LYS 42 -2.072 -14.786 -11.344 329 HA LYS 42 HA LYS 42 -3.129 -12.135 -10.691 330 HB2 LYS 42 2HB LYS 42 -3.567 -14.373 -9.068 331 HB3 LYS 42 3HB LYS 42 -2.248 -13.503 -8.294 332 HG2 LYS 42 2HG LYS 42 -4.152 -12.616 -7.309 333 HG3 LYS 42 3HG LYS 42 -3.731 -11.426 -8.544 334 HD2 LYS 42 2HD LYS 42 -6.086 -11.776 -8.665 335 HD3 LYS 42 3HD LYS 42 -5.365 -12.568 -10.068 336 HE2 LYS 42 2HE LYS 42 -5.829 -14.667 -9.291 337 HE3 LYS 42 3HE LYS 42 -5.747 -14.178 -7.600 338 HZ1 LYS 42 3HZ LYS 42 -8.010 -14.324 -9.335 339 HZ2 LYS 42 1HZ LYS 42 -7.882 -12.803 -8.604 340 HZ3 LYS 42 2HZ LYS 42 -7.955 -14.197 -7.649 341 H CYS 43 H CYS 43 -1.606 -10.672 -9.940 342 HA CYS 43 HA CYS 43 1.169 -11.621 -9.751 343 HB2 CYS 43 2HB CYS 43 0.600 -9.010 -11.098 344 HB3 CYS 43 3HB CYS 43 1.988 -10.077 -11.274 345 H THR 44 H THR 44 2.578 -9.587 -9.057 346 HA THR 44 HA THR 44 1.140 -8.033 -7.028 347 HB THR 44 HB THR 44 3.486 -8.554 -5.723 348 HG1 THR 44 HG1 THR 44 2.633 -11.071 -6.718 349 HG21 THR 44 3HG2 THR 44 2.114 -9.343 -4.109 350 HG22 THR 44 1HG2 THR 44 1.338 -10.500 -5.190 351 HG23 THR 44 2HG2 THR 44 0.840 -8.808 -5.205 352 H VAL 45 H VAL 45 1.941 -6.006 -6.664 353 HA VAL 45 HA VAL 45 4.485 -5.257 -7.905 354 HB VAL 45 HB VAL 45 1.901 -3.770 -8.392 355 HG11 VAL 45 1HG1 VAL 45 3.375 -2.422 -9.944 356 HG12 VAL 45 2HG1 VAL 45 3.625 -2.161 -8.217 357 HG13 VAL 45 3HG1 VAL 45 4.753 -3.163 -9.131 358 HG21 VAL 45 3HG2 VAL 45 2.804 -4.347 -10.840 359 HG22 VAL 45 1HG2 VAL 45 3.451 -5.737 -9.968 360 HG23 VAL 45 2HG2 VAL 45 1.718 -5.412 -9.948 361 H ASP 46 H ASP 46 5.671 -4.096 -6.546 362 HA ASP 46 HA ASP 46 4.307 -2.704 -4.337 363 HB2 ASP 46 2HB ASP 46 6.533 -4.518 -4.379 364 HB3 ASP 46 3HB ASP 46 7.065 -2.957 -3.761 365 H THR 47 H THR 47 4.540 -0.565 -4.129 366 HA THR 47 HA THR 47 6.044 0.863 -6.154 367 HB THR 47 HB THR 47 4.888 2.608 -4.179 368 HG1 THR 47 HG1 THR 47 3.331 1.199 -3.645 369 HG21 THR 47 3HG2 THR 47 4.166 2.016 -7.052 370 HG22 THR 47 1HG2 THR 47 5.325 3.224 -6.498 371 HG23 THR 47 2HG2 THR 47 3.612 3.410 -6.124 372 H TYR 48 H TYR 48 6.482 -0.139 -2.922 373 HA TYR 48 HA TYR 48 8.351 1.954 -2.223 374 HB2 TYR 48 2HB TYR 48 6.762 0.373 -0.714 375 HB3 TYR 48 3HB TYR 48 8.268 -0.531 -0.615 376 HD1 TYR 48 HD1 TYR 48 7.019 2.977 -0.280 377 HD2 TYR 48 HD2 TYR 48 9.753 0.008 1.070 378 HE1 TYR 48 HE1 TYR 48 7.819 4.515 1.465 379 HE2 TYR 48 HE2 TYR 48 10.560 1.538 2.819 380 HH TYR 48 HH TYR 48 10.648 3.966 3.242 381 H ASN 49 H ASN 49 8.463 -1.453 -3.153 382 HA ASN 49 HA ASN 49 11.395 -1.322 -3.223 383 HB2 ASN 49 2HB ASN 49 9.452 -3.624 -3.141 384 HB3 ASN 49 3HB ASN 49 11.143 -3.856 -3.574 385 HD21 ASN 49 1HD2 ASN 49 10.895 -5.275 -1.622 386 HD22 ASN 49 2HD2 ASN 49 11.242 -4.562 -0.087 387 H ASN 50 H ASN 50 8.786 -0.927 -5.225 388 HA ASN 50 HA ASN 50 8.453 -0.964 -7.479 389 HB2 ASN 50 2HB ASN 50 10.874 0.282 -6.969 390 HB3 ASN 50 3HB ASN 50 11.273 -0.875 -8.235 391 HD21 ASN 50 1HD2 ASN 50 11.383 1.886 -8.574 392 HD22 ASN 50 2HD2 ASN 50 10.184 2.348 -9.729 393 H ALA 51 H ALA 51 8.909 -3.530 -6.137 394 HA ALA 51 HA ALA 51 10.123 -5.094 -8.312 395 HB1 ALA 51 1HB ALA 51 11.147 -5.589 -6.223 396 HB2 ALA 51 2HB ALA 51 9.582 -5.785 -5.432 397 HB3 ALA 51 3HB ALA 51 10.114 -6.959 -6.635 398 H VAL 52 H VAL 52 8.877 -6.271 -9.615 399 HA VAL 52 HA VAL 52 6.065 -6.691 -8.840 400 HB VAL 52 HB VAL 52 5.445 -6.650 -11.141 401 HG11 VAL 52 1HG1 VAL 52 6.256 -4.466 -9.845 402 HG12 VAL 52 2HG1 VAL 52 7.380 -4.408 -11.204 403 HG13 VAL 52 3HG1 VAL 52 5.641 -4.416 -11.497 404 HG21 VAL 52 3HG2 VAL 52 8.397 -6.782 -11.649 405 HG22 VAL 52 1HG2 VAL 52 7.113 -7.817 -12.274 406 HG23 VAL 52 2HG2 VAL 52 7.287 -6.168 -12.875 407 H ASP 53 H ASP 53 5.126 -8.693 -9.125 408 HA ASP 53 HA ASP 53 6.867 -10.875 -10.043 409 HB2 ASP 53 2HB ASP 53 6.102 -10.422 -7.360 410 HB3 ASP 53 3HB ASP 53 5.160 -11.800 -7.925 411 H CYS 54 H CYS 54 5.921 -12.083 -11.540 412 HA CYS 54 HA CYS 54 3.008 -11.902 -11.852 413 HB2 CYS 54 2HB CYS 54 4.760 -11.377 -13.733 414 HB3 CYS 54 3HB CYS 54 4.814 -13.129 -13.903 415 H ASP 55 H ASP 55 1.711 -13.688 -11.876 416 HA ASP 55 HA ASP 55 2.320 -15.888 -10.349 417 HB2 ASP 55 2HB ASP 55 0.129 -15.029 -11.924 418 HB3 ASP 55 3HB ASP 55 0.464 -16.696 -12.383
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