NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
612518 | 2nbf | 25974 | cing | 1-original | 2 | 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 2.000 -0.980 -1.690 3 HB1 ALA 1 1HB ALA 1 0.735 0.561 -2.795 4 HB2 ALA 1 2HB ALA 1 1.120 1.857 -1.662 5 HB3 ALA 1 3HB ALA 1 2.303 1.365 -2.874 6 H LYS 2 H LYS 2 4.104 -1.175 -2.236 7 HA LYS 2 HA LYS 2 6.370 -1.009 -2.126 8 HB2 LYS 2 2HB LYS 2 5.414 1.653 -2.180 9 HB3 LYS 2 3HB LYS 2 6.702 1.603 -0.984 10 HG2 LYS 2 2HG LYS 2 7.485 0.167 -3.343 11 HG3 LYS 2 3HG LYS 2 6.953 1.797 -3.760 12 HD2 LYS 2 2HD LYS 2 8.916 1.224 -1.550 13 HD3 LYS 2 3HD LYS 2 9.408 1.539 -3.216 14 HE2 LYS 2 2HE LYS 2 7.590 3.569 -2.523 15 HE3 LYS 2 3HE LYS 2 8.683 3.394 -1.151 16 HZ1 LYS 2 3HZ LYS 2 9.734 3.571 -3.902 17 HZ2 LYS 2 1HZ LYS 2 10.517 3.915 -2.442 18 HZ3 LYS 2 2HZ LYS 2 9.338 4.971 -3.039 19 H TYR 3 H TYR 3 7.082 -2.356 -0.587 20 HA TYR 3 HA TYR 3 6.644 -1.823 2.216 21 HB2 TYR 3 2HB TYR 3 8.322 -3.999 0.954 22 HB3 TYR 3 3HB TYR 3 7.712 -3.958 2.604 23 HD1 TYR 3 HD1 TYR 3 5.135 -3.912 2.883 24 HD2 TYR 3 HD2 TYR 3 7.100 -5.081 -0.705 25 HE1 TYR 3 HE1 TYR 3 3.107 -5.106 2.169 26 HE2 TYR 3 HE2 TYR 3 5.077 -6.277 -1.430 27 HH TYR 3 HH TYR 3 2.676 -6.258 -1.007 28 H THR 4 H THR 4 8.141 -1.220 3.724 29 HA THR 4 HA THR 4 10.757 -0.347 2.681 30 HB THR 4 HB THR 4 9.363 0.836 5.081 31 HG1 THR 4 HG1 THR 4 8.103 1.789 3.679 32 HG21 THR 4 3HG2 THR 4 11.943 1.168 3.844 33 HG22 THR 4 1HG2 THR 4 11.326 1.860 5.344 34 HG23 THR 4 2HG2 THR 4 11.043 2.685 3.811 35 H GLY 5 H GLY 5 12.576 -1.001 3.701 36 HA2 GLY 5 2HA GLY 5 12.543 -1.998 6.402 37 HA3 GLY 5 3HA GLY 5 12.731 -3.268 5.202 38 H LYS 6 H LYS 6 14.798 -3.666 6.223 39 HA LYS 6 HA LYS 6 16.882 -1.961 5.069 40 HB2 LYS 6 2HB LYS 6 17.162 -3.028 7.867 41 HB3 LYS 6 3HB LYS 6 18.120 -1.789 7.068 42 HG2 LYS 6 2HG LYS 6 16.857 -0.427 8.345 43 HG3 LYS 6 3HG LYS 6 15.732 -0.591 6.994 44 HD2 LYS 6 2HD LYS 6 14.539 -2.348 8.161 45 HD3 LYS 6 3HD LYS 6 15.708 -2.299 9.483 46 HE2 LYS 6 2HE LYS 6 14.718 -0.530 10.431 47 HE3 LYS 6 3HE LYS 6 14.537 0.303 8.888 48 HZ1 LYS 6 3HZ LYS 6 12.516 -0.755 10.342 49 HZ2 LYS 6 1HZ LYS 6 12.785 -1.956 9.181 50 HZ3 LYS 6 2HZ LYS 6 12.436 -0.374 8.695 51 H CYS 7 H CYS 7 18.906 -3.021 4.748 52 HA CYS 7 HA CYS 7 18.655 -5.954 4.656 53 HB2 CYS 7 2HB CYS 7 20.768 -4.739 3.020 54 HB3 CYS 7 3HB CYS 7 19.569 -5.955 2.592 55 H THR 8 H THR 8 21.248 -6.665 4.209 56 HA THR 8 HA THR 8 22.816 -5.548 6.418 57 HB THR 8 HB THR 8 22.902 -8.498 6.194 58 HG1 THR 8 HG1 THR 8 20.651 -7.068 7.172 59 HG21 THR 8 3HG2 THR 8 22.827 -8.126 8.754 60 HG22 THR 8 1HG2 THR 8 23.074 -6.427 8.356 61 HG23 THR 8 2HG2 THR 8 24.269 -7.629 7.870 62 H LYS 9 H LYS 9 24.836 -5.166 5.803 63 HA LYS 9 HA LYS 9 25.799 -5.779 3.237 64 HB2 LYS 9 2HB LYS 9 27.852 -4.781 3.918 65 HB3 LYS 9 3HB LYS 9 26.564 -3.893 4.722 66 HG2 LYS 9 2HG LYS 9 27.870 -4.151 6.527 67 HG3 LYS 9 3HG LYS 9 27.111 -5.743 6.602 68 HD2 LYS 9 2HD LYS 9 28.980 -6.819 5.821 69 HD3 LYS 9 3HD LYS 9 29.548 -5.410 4.922 70 HE2 LYS 9 2HE LYS 9 30.706 -4.610 6.675 71 HE3 LYS 9 3HE LYS 9 29.445 -5.039 7.829 72 HZ1 LYS 9 3HZ LYS 9 31.770 -6.251 7.789 73 HZ2 LYS 9 1HZ LYS 9 30.985 -7.221 6.647 74 HZ3 LYS 9 2HZ LYS 9 30.349 -7.068 8.207 75 H SER 10 H SER 10 25.639 -7.672 6.050 76 HA SER 10 HA SER 10 27.874 -9.257 6.028 77 HB2 SER 10 2HB SER 10 26.256 -9.615 7.736 78 HB3 SER 10 3HB SER 10 24.990 -9.976 6.563 79 HG SER 10 HG SER 10 27.278 -11.548 7.154 80 H LYS 11 H LYS 11 24.860 -10.023 4.276 81 HA LYS 11 HA LYS 11 26.462 -11.191 2.125 82 HB2 LYS 11 2HB LYS 11 24.871 -12.690 4.018 83 HB3 LYS 11 3HB LYS 11 24.256 -12.904 2.385 84 HG2 LYS 11 2HG LYS 11 26.936 -13.198 2.006 85 HG3 LYS 11 3HG LYS 11 26.718 -13.889 3.616 86 HD2 LYS 11 2HD LYS 11 24.802 -15.226 2.624 87 HD3 LYS 11 3HD LYS 11 25.387 -14.706 1.042 88 HE2 LYS 11 2HE LYS 11 27.178 -16.049 3.046 89 HE3 LYS 11 3HE LYS 11 26.191 -16.969 1.912 90 HZ1 LYS 11 3HZ LYS 11 27.916 -16.747 0.540 91 HZ2 LYS 11 1HZ LYS 11 28.623 -15.512 1.455 92 HZ3 LYS 11 2HZ LYS 11 27.416 -15.145 0.330 93 H ASN 12 H ASN 12 24.453 -8.893 2.805 94 HA ASN 12 HA ASN 12 22.957 -7.643 1.633 95 HB2 ASN 12 2HB ASN 12 23.939 -7.538 -0.398 96 HB3 ASN 12 3HB ASN 12 24.303 -9.261 -0.412 97 HD21 ASN 12 2HD2 ASN 12 20.917 -7.821 -2.145 98 HD22 ASN 12 1HD2 ASN 12 21.866 -6.846 -1.080 99 H GLU 13 H GLU 13 20.910 -7.795 2.251 100 HA GLU 13 HA GLU 13 19.067 -9.545 1.022 101 HB2 GLU 13 2HB GLU 13 20.461 -10.777 3.075 102 HB3 GLU 13 3HB GLU 13 18.971 -10.258 3.849 103 HG2 GLU 13 2HG GLU 13 17.735 -11.376 1.964 104 HG3 GLU 13 3HG GLU 13 19.279 -12.070 1.474 105 H CYS 14 H CYS 14 17.801 -7.761 0.736 106 HA CYS 14 HA CYS 14 17.186 -5.928 2.837 107 HB2 CYS 14 2HB CYS 14 17.174 -5.284 0.448 108 HB3 CYS 14 3HB CYS 14 15.791 -6.341 0.184 109 H LYS 15 H LYS 15 15.775 -6.189 4.424 110 HA LYS 15 HA LYS 15 13.886 -8.397 4.330 111 HB2 LYS 15 2HB LYS 15 15.164 -8.139 6.365 112 HB3 LYS 15 3HB LYS 15 14.642 -6.468 6.530 113 HG2 LYS 15 2HG LYS 15 12.496 -8.484 6.406 114 HG3 LYS 15 3HG LYS 15 13.518 -8.517 7.844 115 HD2 LYS 15 2HD LYS 15 12.159 -6.038 6.796 116 HD3 LYS 15 3HD LYS 15 11.481 -7.080 8.049 117 HE2 LYS 15 2HE LYS 15 13.901 -6.678 9.102 118 HE3 LYS 15 3HE LYS 15 13.763 -5.191 8.165 119 HZ1 LYS 15 3HZ LYS 15 12.539 -4.378 9.803 120 HZ2 LYS 15 1HZ LYS 15 12.534 -5.860 10.620 121 HZ3 LYS 15 2HZ LYS 15 11.344 -5.526 9.465 122 H TYR 16 H TYR 16 11.649 -8.179 4.625 123 HA TYR 16 HA TYR 16 10.337 -5.682 4.892 124 HB2 TYR 16 2HB TYR 16 9.500 -5.316 2.700 125 HB3 TYR 16 3HB TYR 16 11.234 -5.558 2.519 126 HD1 TYR 16 HD1 TYR 16 8.182 -6.325 1.110 127 HD2 TYR 16 HD2 TYR 16 11.841 -8.196 2.213 128 HE1 TYR 16 HE1 TYR 16 7.756 -8.111 -0.527 129 HE2 TYR 16 HE2 TYR 16 11.426 -9.986 0.578 130 HH TYR 16 HH TYR 16 9.379 -11.010 -0.548 131 H LYS 17 H LYS 17 7.932 -6.132 3.731 132 HA LYS 17 HA LYS 17 7.091 -8.738 4.821 133 HB2 LYS 17 2HB LYS 17 4.934 -7.606 5.420 134 HB3 LYS 17 3HB LYS 17 6.328 -7.056 6.340 135 HG2 LYS 17 2HG LYS 17 6.183 -5.369 4.114 136 HG3 LYS 17 3HG LYS 17 4.525 -5.556 4.689 137 HD2 LYS 17 2HD LYS 17 5.719 -5.177 7.038 138 HD3 LYS 17 3HD LYS 17 6.875 -4.320 6.015 139 HE2 LYS 17 2HE LYS 17 4.097 -3.688 5.394 140 HE3 LYS 17 3HE LYS 17 4.546 -3.280 7.049 141 HZ1 LYS 17 3HZ LYS 17 6.465 -2.503 5.024 142 HZ2 LYS 17 1HZ LYS 17 5.897 -1.644 6.367 143 HZ3 LYS 17 2HZ LYS 17 4.981 -1.694 4.946 144 H ASN 18 H ASN 18 5.640 -9.926 3.656 145 HA ASN 18 HA ASN 18 5.068 -8.942 0.951 146 HB2 ASN 18 2HB ASN 18 4.571 -11.387 0.492 147 HB3 ASN 18 3HB ASN 18 6.246 -11.010 0.885 148 HD21 ASN 18 2HD2 ASN 18 6.278 -12.770 3.915 149 HD22 ASN 18 1HD2 ASN 18 7.026 -11.525 2.978 150 H ASP 19 H ASP 19 3.505 -10.757 3.587 151 HA ASP 19 HA ASP 19 0.886 -10.331 2.430 152 HB2 ASP 19 2HB ASP 19 1.977 -11.860 4.747 153 HB3 ASP 19 3HB ASP 19 0.275 -11.406 4.782 154 H ALA 20 H ALA 20 2.750 -9.176 5.197 155 HA ALA 20 HA ALA 20 1.509 -6.668 5.270 156 HB1 ALA 20 1HB ALA 20 -0.483 -7.429 6.105 157 HB2 ALA 20 2HB ALA 20 0.266 -8.764 6.980 158 HB3 ALA 20 3HB ALA 20 0.392 -7.120 7.604 159 H GLY 21 H GLY 21 2.626 -9.064 7.678 160 HA2 GLY 21 2HA GLY 21 4.806 -7.199 8.360 161 HA3 GLY 21 3HA GLY 21 3.821 -7.917 9.626 162 H LYS 22 H LYS 22 4.443 -9.898 6.903 163 HA LYS 22 HA LYS 22 5.872 -11.792 8.498 164 HB2 LYS 22 2HB LYS 22 4.643 -11.705 5.857 165 HB3 LYS 22 3HB LYS 22 6.166 -12.584 5.852 166 HG2 LYS 22 2HG LYS 22 4.981 -13.617 8.060 167 HG3 LYS 22 3HG LYS 22 3.580 -13.291 7.038 168 HD2 LYS 22 2HD LYS 22 4.070 -15.340 6.213 169 HD3 LYS 22 3HD LYS 22 5.212 -14.424 5.227 170 HE2 LYS 22 2HE LYS 22 6.574 -14.902 7.598 171 HE3 LYS 22 3HE LYS 22 5.704 -16.403 7.288 172 HZ1 LYS 22 3HZ LYS 22 8.002 -16.158 6.276 173 HZ2 LYS 22 1HZ LYS 22 7.300 -15.072 5.185 174 HZ3 LYS 22 2HZ LYS 22 6.766 -16.676 5.243 175 H ASP 23 H ASP 23 7.898 -11.330 9.094 176 HA ASP 23 HA ASP 23 9.700 -9.690 7.720 177 HB2 ASP 23 2HB ASP 23 10.563 -11.944 9.522 178 HB3 ASP 23 3HB ASP 23 11.327 -10.375 9.289 179 H THR 24 H THR 24 10.018 -10.163 5.595 180 HA THR 24 HA THR 24 11.251 -12.775 5.000 181 HB THR 24 HB THR 24 9.490 -11.117 3.183 182 HG1 THR 24 HG1 THR 24 8.973 -13.777 3.941 183 HG21 THR 24 3HG2 THR 24 9.710 -13.194 1.712 184 HG22 THR 24 1HG2 THR 24 11.108 -13.607 2.703 185 HG23 THR 24 2HG2 THR 24 11.097 -12.107 1.775 186 H PHE 25 H PHE 25 13.148 -12.777 3.919 187 HA PHE 25 HA PHE 25 14.353 -10.166 3.362 188 HB2 PHE 25 2HB PHE 25 15.773 -12.826 3.392 189 HB3 PHE 25 3HB PHE 25 16.475 -11.220 3.553 190 HD1 PHE 25 HD1 PHE 25 14.779 -9.975 5.564 191 HD2 PHE 25 HD2 PHE 25 16.279 -13.952 5.342 192 HE1 PHE 25 HE1 PHE 25 14.641 -10.160 8.013 193 HE2 PHE 25 HE2 PHE 25 16.143 -14.143 7.791 194 HZ PHE 25 HZ PHE 25 15.323 -12.246 9.130 195 H ILE 26 H ILE 26 15.487 -9.770 1.411 196 HA ILE 26 HA ILE 26 15.265 -11.642 -0.778 197 HB ILE 26 HB ILE 26 13.044 -10.517 -0.765 198 HG12 ILE 26 2HG1 ILE 26 13.269 -9.668 -3.208 199 HG13 ILE 26 3HG1 ILE 26 14.950 -10.170 -3.065 200 HG21 ILE 26 1HG2 ILE 26 12.778 -8.298 -0.679 201 HG22 ILE 26 2HG2 ILE 26 14.459 -8.256 -0.149 202 HG23 ILE 26 3HG2 ILE 26 14.064 -8.006 -1.850 203 HD11 ILE 26 3HD1 ILE 26 14.391 -12.412 -2.872 204 HD12 ILE 26 1HD1 ILE 26 12.723 -12.058 -2.422 205 HD13 ILE 26 2HD1 ILE 26 13.262 -11.804 -4.083 206 H LYS 27 H LYS 27 16.853 -11.354 -2.240 207 HA LYS 27 HA LYS 27 18.965 -9.564 -1.689 208 HB2 LYS 27 2HB LYS 27 18.475 -10.993 -4.303 209 HB3 LYS 27 3HB LYS 27 20.015 -10.434 -3.664 210 HG2 LYS 27 2HG LYS 27 19.800 -12.060 -1.819 211 HG3 LYS 27 3HG LYS 27 18.312 -12.657 -2.557 212 HD2 LYS 27 2HD LYS 27 19.461 -13.472 -4.451 213 HD3 LYS 27 3HD LYS 27 20.924 -12.570 -4.047 214 HE2 LYS 27 2HE LYS 27 20.013 -14.454 -1.984 215 HE3 LYS 27 3HE LYS 27 20.525 -15.200 -3.497 216 HZ1 LYS 27 3HZ LYS 27 22.217 -13.157 -2.221 217 HZ2 LYS 27 1HZ LYS 27 22.661 -14.413 -3.265 218 HZ3 LYS 27 2HZ LYS 27 22.256 -14.752 -1.658 219 H CYS 28 H CYS 28 19.891 -8.238 -3.667 220 HA CYS 28 HA CYS 28 17.711 -6.488 -4.603 221 HB2 CYS 28 2HB CYS 28 20.566 -5.601 -4.244 222 HB3 CYS 28 3HB CYS 28 19.117 -4.608 -4.363 223 HA PRO 29 HA PRO 29 19.634 -8.336 -8.374 224 HB2 PRO 29 2HB PRO 29 17.283 -8.609 -9.703 225 HB3 PRO 29 3HB PRO 29 17.894 -9.823 -8.573 226 HG2 PRO 29 2HG PRO 29 15.844 -7.687 -8.132 227 HG3 PRO 29 3HG PRO 29 15.823 -9.382 -7.613 228 HD2 PRO 29 2HD PRO 29 16.484 -7.356 -5.943 229 HD3 PRO 29 3HD PRO 29 17.193 -8.977 -5.804 230 H LYS 30 H LYS 30 17.626 -5.614 -7.691 231 HA LYS 30 HA LYS 30 17.428 -4.449 -10.233 232 HB2 LYS 30 2HB LYS 30 16.754 -3.748 -7.584 233 HB3 LYS 30 3HB LYS 30 17.747 -2.435 -8.203 234 HG2 LYS 30 2HG LYS 30 15.286 -3.528 -9.552 235 HG3 LYS 30 3HG LYS 30 15.347 -2.066 -8.565 236 HD2 LYS 30 2HD LYS 30 16.960 -1.085 -10.127 237 HD3 LYS 30 3HD LYS 30 16.891 -2.547 -11.114 238 HE2 LYS 30 2HE LYS 30 14.712 -2.121 -11.809 239 HE3 LYS 30 3HE LYS 30 14.397 -1.020 -10.469 240 HZ1 LYS 30 3HZ LYS 30 16.119 0.467 -11.529 241 HZ2 LYS 30 1HZ LYS 30 14.650 0.324 -12.354 242 HZ3 LYS 30 2HZ LYS 30 16.011 -0.520 -12.898 243 H PHE 31 H PHE 31 19.654 -3.458 -7.624 244 HA PHE 31 HA PHE 31 21.512 -2.505 -9.692 245 HB2 PHE 31 2HB PHE 31 21.968 -1.811 -6.843 246 HB3 PHE 31 3HB PHE 31 22.159 -0.823 -8.288 247 HD1 PHE 31 HD1 PHE 31 20.359 0.503 -9.134 248 HD2 PHE 31 HD2 PHE 31 19.782 -2.053 -5.780 249 HE1 PHE 31 HE1 PHE 31 18.221 1.622 -8.653 250 HE2 PHE 31 HE2 PHE 31 17.643 -0.939 -5.294 251 HZ PHE 31 HZ PHE 31 16.859 0.901 -6.732 252 H ASP 32 H ASP 32 22.572 -4.413 -10.177 253 HA ASP 32 HA ASP 32 23.601 -6.188 -8.215 254 HB2 ASP 32 2HB ASP 32 24.992 -7.039 -10.181 255 HB3 ASP 32 3HB ASP 32 23.241 -7.109 -10.362 256 H ASN 33 H ASN 33 24.589 -3.133 -9.221 257 HA ASN 33 HA ASN 33 27.345 -3.612 -8.301 258 HB2 ASN 33 2HB ASN 33 26.315 -2.194 -10.563 259 HB3 ASN 33 3HB ASN 33 27.127 -1.047 -9.502 260 HD21 ASN 33 2HD2 ASN 33 29.393 -4.195 -10.805 261 HD22 ASN 33 1HD2 ASN 33 27.777 -4.448 -10.247 262 H LYS 34 H LYS 34 24.406 -1.909 -7.715 263 HA LYS 34 HA LYS 34 25.697 -0.457 -5.497 264 HB2 LYS 34 2HB LYS 34 23.344 0.362 -7.206 265 HB3 LYS 34 3HB LYS 34 23.804 1.186 -5.722 266 HG2 LYS 34 2HG LYS 34 25.568 0.882 -8.143 267 HG3 LYS 34 3HG LYS 34 24.623 2.318 -7.745 268 HD2 LYS 34 2HD LYS 34 26.046 1.749 -5.424 269 HD3 LYS 34 3HD LYS 34 27.195 1.458 -6.732 270 HE2 LYS 34 2HE LYS 34 25.543 3.922 -6.860 271 HE3 LYS 34 3HE LYS 34 26.836 3.864 -5.663 272 HZ1 LYS 34 3HZ LYS 34 27.505 4.812 -7.836 273 HZ2 LYS 34 1HZ LYS 34 27.228 3.304 -8.551 274 HZ3 LYS 34 2HZ LYS 34 28.429 3.474 -7.373 275 H LYS 35 H LYS 35 24.674 -3.139 -5.392 276 HA LYS 35 HA LYS 35 22.082 -3.196 -4.238 277 HB2 LYS 35 2HB LYS 35 22.717 -5.480 -3.496 278 HB3 LYS 35 3HB LYS 35 23.011 -5.201 -5.208 279 HG2 LYS 35 2HG LYS 35 25.417 -4.540 -4.256 280 HG3 LYS 35 3HG LYS 35 24.919 -5.682 -3.005 281 HD2 LYS 35 2HD LYS 35 24.748 -7.449 -4.517 282 HD3 LYS 35 3HD LYS 35 24.653 -6.370 -5.911 283 HE2 LYS 35 2HE LYS 35 26.854 -6.472 -6.182 284 HE3 LYS 35 3HE LYS 35 27.113 -5.912 -4.531 285 HZ1 LYS 35 3HZ LYS 35 27.324 -8.564 -5.617 286 HZ2 LYS 35 1HZ LYS 35 26.409 -8.502 -4.196 287 HZ3 LYS 35 2HZ LYS 35 27.996 -7.918 -4.206 288 H CYS 36 H CYS 36 21.844 -4.207 -1.943 289 HA CYS 36 HA CYS 36 22.608 -2.278 -0.069 290 HB2 CYS 36 2HB CYS 36 21.415 -5.014 0.104 291 HB3 CYS 36 3HB CYS 36 21.979 -4.240 1.581 292 H THR 37 H THR 37 24.544 -1.886 0.750 293 HA THR 37 HA THR 37 26.340 -4.159 1.282 294 HB THR 37 HB THR 37 28.264 -2.672 0.761 295 HG1 THR 37 HG1 THR 37 26.151 -0.914 0.119 296 HG21 THR 37 3HG2 THR 37 28.240 -3.126 -1.506 297 HG22 THR 37 1HG2 THR 37 26.533 -2.720 -1.677 298 HG23 THR 37 2HG2 THR 37 27.007 -4.238 -0.914 299 H LYS 38 H LYS 38 24.435 -2.293 2.859 300 HA LYS 38 HA LYS 38 26.367 -1.697 5.000 301 HB2 LYS 38 2HB LYS 38 24.732 0.150 3.601 302 HB3 LYS 38 3HB LYS 38 24.065 -0.005 5.221 303 HG2 LYS 38 2HG LYS 38 25.664 1.809 5.123 304 HG3 LYS 38 3HG LYS 38 26.257 0.519 6.172 305 HD2 LYS 38 2HD LYS 38 28.118 1.132 4.888 306 HD3 LYS 38 3HD LYS 38 27.511 -0.332 4.110 307 HE2 LYS 38 2HE LYS 38 27.348 0.780 2.196 308 HE3 LYS 38 3HE LYS 38 26.159 1.850 2.937 309 HZ1 LYS 38 3HZ LYS 38 27.722 3.446 3.360 310 HZ2 LYS 38 1HZ LYS 38 28.344 2.802 1.924 311 HZ3 LYS 38 2HZ LYS 38 29.012 2.353 3.412 312 H ASP 39 H ASP 39 25.423 -1.688 7.172 313 HA ASP 39 HA ASP 39 23.466 -3.832 7.432 314 HB2 ASP 39 2HB ASP 39 25.339 -2.493 9.379 315 HB3 ASP 39 3HB ASP 39 24.094 -3.625 9.901 316 H ASN 40 H ASN 40 21.395 -3.474 7.858 317 HA ASN 40 HA ASN 40 19.451 -2.459 8.459 318 HB2 ASN 40 2HB ASN 40 21.016 -0.616 10.250 319 HB3 ASN 40 3HB ASN 40 19.391 -1.254 10.479 320 HD21 ASN 40 2HD2 ASN 40 22.435 -3.067 12.190 321 HD22 ASN 40 1HD2 ASN 40 22.430 -1.451 11.581 322 H ASN 41 H ASN 41 20.760 -1.514 6.158 323 HA ASN 41 HA ASN 41 20.751 1.356 6.137 324 HB2 ASN 41 2HB ASN 41 21.122 1.123 3.718 325 HB3 ASN 41 3HB ASN 41 22.220 0.094 4.633 326 HD21 ASN 41 2HD2 ASN 41 21.156 -2.850 3.179 327 HD22 ASN 41 1HD2 ASN 41 22.238 -2.030 4.247 328 H LYS 42 H LYS 42 19.479 2.081 3.853 329 HA LYS 42 HA LYS 42 16.660 1.619 4.544 330 HB2 LYS 42 2HB LYS 42 17.726 3.858 2.832 331 HB3 LYS 42 3HB LYS 42 16.163 3.755 3.632 332 HG2 LYS 42 2HG LYS 42 17.385 3.822 5.820 333 HG3 LYS 42 3HG LYS 42 18.854 4.175 4.907 334 HD2 LYS 42 2HD LYS 42 16.571 5.869 4.203 335 HD3 LYS 42 3HD LYS 42 17.110 6.045 5.875 336 HE2 LYS 42 2HE LYS 42 18.340 7.628 4.632 337 HE3 LYS 42 3HE LYS 42 19.453 6.298 4.948 338 HZ1 LYS 42 3HZ LYS 42 19.326 5.572 2.759 339 HZ2 LYS 42 1HZ LYS 42 19.366 7.256 2.601 340 HZ3 LYS 42 2HZ LYS 42 17.901 6.426 2.439 341 H CYS 43 H CYS 43 15.731 0.126 3.309 342 HA CYS 43 HA CYS 43 15.990 0.349 0.408 343 HB2 CYS 43 2HB CYS 43 16.454 -1.983 0.083 344 HB3 CYS 43 3HB CYS 43 17.652 -1.353 1.208 345 H THR 44 H THR 44 14.161 -0.189 -0.703 346 HA THR 44 HA THR 44 11.890 -1.199 0.882 347 HB THR 44 HB THR 44 10.390 0.224 -0.468 348 HG1 THR 44 HG1 THR 44 11.234 0.996 -2.246 349 HG21 THR 44 3HG2 THR 44 12.245 1.102 1.532 350 HG22 THR 44 1HG2 THR 44 10.582 1.619 1.258 351 HG23 THR 44 2HG2 THR 44 11.906 2.429 0.422 352 H VAL 45 H VAL 45 10.616 -2.733 -0.043 353 HA VAL 45 HA VAL 45 11.573 -3.866 -2.565 354 HB VAL 45 HB VAL 45 9.678 -5.011 -0.508 355 HG11 VAL 45 1HG1 VAL 45 9.027 -6.080 -2.444 356 HG12 VAL 45 2HG1 VAL 45 10.640 -6.007 -3.154 357 HG13 VAL 45 3HG1 VAL 45 10.297 -7.153 -1.858 358 HG21 VAL 45 3HG2 VAL 45 11.715 -6.644 -0.339 359 HG22 VAL 45 1HG2 VAL 45 12.611 -5.271 -0.990 360 HG23 VAL 45 2HG2 VAL 45 11.731 -5.109 0.530 361 H ASP 46 H ASP 46 10.413 -3.867 -4.397 362 HA ASP 46 HA ASP 46 7.660 -2.819 -4.273 363 HB2 ASP 46 2HB ASP 46 9.944 -1.928 -5.792 364 HB3 ASP 46 3HB ASP 46 8.650 -2.424 -6.879 365 H THR 47 H THR 47 6.735 -4.883 -4.153 366 HA THR 47 HA THR 47 7.341 -7.017 -5.890 367 HB THR 47 HB THR 47 5.240 -8.018 -5.167 368 HG1 THR 47 HG1 THR 47 3.814 -6.327 -5.132 369 HG21 THR 47 3HG2 THR 47 5.638 -8.070 -2.781 370 HG22 THR 47 1HG2 THR 47 6.551 -6.564 -2.867 371 HG23 THR 47 2HG2 THR 47 7.184 -8.024 -3.627 372 H TYR 48 H TYR 48 5.690 -4.098 -6.431 373 HA TYR 48 HA TYR 48 3.715 -4.725 -8.251 374 HB2 TYR 48 2HB TYR 48 4.336 -2.436 -7.329 375 HB3 TYR 48 3HB TYR 48 5.574 -2.370 -8.579 376 HD1 TYR 48 HD1 TYR 48 1.906 -2.954 -8.185 377 HD2 TYR 48 HD2 TYR 48 5.040 -1.434 -10.629 378 HE1 TYR 48 HE1 TYR 48 0.240 -2.096 -9.778 379 HE2 TYR 48 HE2 TYR 48 3.383 -0.571 -12.228 380 HH TYR 48 HH TYR 48 0.700 0.151 -11.889 381 H ASN 49 H ASN 49 7.194 -4.504 -8.753 382 HA ASN 49 HA ASN 49 6.914 -5.998 -11.230 383 HB2 ASN 49 2HB ASN 49 8.065 -4.464 -12.619 384 HB3 ASN 49 3HB ASN 49 6.856 -3.505 -11.771 385 HD21 ASN 49 2HD2 ASN 49 9.278 -1.895 -9.669 386 HD22 ASN 49 1HD2 ASN 49 7.719 -2.636 -9.596 387 H ASN 50 H ASN 50 8.065 -6.265 -8.458 388 HA ASN 50 HA ASN 50 9.913 -7.107 -7.424 389 HB2 ASN 50 2HB ASN 50 9.389 -8.893 -9.117 390 HB3 ASN 50 3HB ASN 50 10.599 -8.168 -10.171 391 HD21 ASN 50 2HD2 ASN 50 13.059 -10.138 -8.793 392 HD22 ASN 50 1HD2 ASN 50 12.300 -9.445 -10.182 393 H ALA 51 H ALA 51 10.924 -5.137 -6.951 394 HA ALA 51 HA ALA 51 13.536 -4.837 -8.021 395 HB1 ALA 51 1HB ALA 51 11.582 -2.649 -8.720 396 HB2 ALA 51 2HB ALA 51 13.321 -2.628 -9.014 397 HB3 ALA 51 3HB ALA 51 12.298 -3.790 -9.858 398 H VAL 52 H VAL 52 14.425 -4.687 -6.044 399 HA VAL 52 HA VAL 52 13.230 -3.121 -3.942 400 HB VAL 52 HB VAL 52 14.564 -5.277 -3.627 401 HG11 VAL 52 1HG1 VAL 52 16.890 -3.370 -3.850 402 HG12 VAL 52 2HG1 VAL 52 16.964 -5.080 -3.420 403 HG13 VAL 52 3HG1 VAL 52 16.470 -4.598 -5.043 404 HG21 VAL 52 3HG2 VAL 52 15.442 -2.937 -1.943 405 HG22 VAL 52 1HG2 VAL 52 13.853 -3.692 -1.823 406 HG23 VAL 52 2HG2 VAL 52 15.302 -4.625 -1.451 407 H ASP 53 H ASP 53 14.419 -1.438 -2.780 408 HA ASP 53 HA ASP 53 16.003 0.221 -4.629 409 HB2 ASP 53 2HB ASP 53 13.959 0.903 -2.550 410 HB3 ASP 53 3HB ASP 53 15.221 2.072 -2.933 411 H CYS 54 H CYS 54 17.523 -1.577 -3.461 412 HA CYS 54 HA CYS 54 18.468 -1.043 -0.873 413 HB2 CYS 54 2HB CYS 54 19.610 -2.445 -3.266 414 HB3 CYS 54 3HB CYS 54 20.619 -2.169 -1.849 415 H ASP 55 H ASP 55 20.043 0.267 -0.072 416 HA ASP 55 HA ASP 55 20.568 2.713 -1.237 417 HB2 ASP 55 2HB ASP 55 21.590 1.205 1.055 418 HB3 ASP 55 3HB ASP 55 22.769 2.326 0.379 Start of MODEL 2 1 H1 ALA 1 H ALA 1 1.962 -1.060 -0.790 2 HA ALA 1 HA ALA 1 2.487 -2.512 -3.302 3 HB1 ALA 1 1HB ALA 1 1.615 -0.778 -4.380 4 HB2 ALA 1 2HB ALA 1 1.460 0.146 -2.885 5 HB3 ALA 1 3HB ALA 1 2.968 0.192 -3.797 6 H LYS 2 H LYS 2 3.848 0.315 -1.605 7 HA LYS 2 HA LYS 2 6.530 -0.743 -2.138 8 HB2 LYS 2 2HB LYS 2 5.367 1.899 -2.073 9 HB3 LYS 2 3HB LYS 2 6.740 1.808 -0.977 10 HG2 LYS 2 2HG LYS 2 7.076 0.689 -3.703 11 HG3 LYS 2 3HG LYS 2 7.011 2.445 -3.528 12 HD2 LYS 2 2HD LYS 2 8.824 0.731 -1.849 13 HD3 LYS 2 3HD LYS 2 9.312 1.351 -3.428 14 HE2 LYS 2 2HE LYS 2 8.152 3.394 -1.704 15 HE3 LYS 2 3HE LYS 2 9.594 2.650 -1.016 16 HZ1 LYS 2 3HZ LYS 2 10.582 3.067 -3.338 17 HZ2 LYS 2 1HZ LYS 2 10.441 4.372 -2.271 18 HZ3 LYS 2 2HZ LYS 2 9.318 4.176 -3.520 19 H TYR 3 H TYR 3 7.610 -1.723 -0.569 20 HA TYR 3 HA TYR 3 6.765 -1.288 2.211 21 HB2 TYR 3 2HB TYR 3 8.403 -3.557 1.064 22 HB3 TYR 3 3HB TYR 3 7.793 -3.439 2.710 23 HD1 TYR 3 HD1 TYR 3 5.173 -3.160 2.897 24 HD2 TYR 3 HD2 TYR 3 7.194 -4.782 -0.478 25 HE1 TYR 3 HE1 TYR 3 3.105 -4.305 2.217 26 HE2 TYR 3 HE2 TYR 3 5.131 -5.931 -1.168 27 HH TYR 3 HH TYR 3 2.189 -5.768 0.804 28 H THR 4 H THR 4 8.390 -1.156 3.869 29 HA THR 4 HA THR 4 10.932 -0.029 2.887 30 HB THR 4 HB THR 4 9.919 0.689 5.597 31 HG1 THR 4 HG1 THR 4 8.591 2.288 4.727 32 HG21 THR 4 3HG2 THR 4 12.080 1.424 4.062 33 HG22 THR 4 1HG2 THR 4 11.460 2.313 5.451 34 HG23 THR 4 2HG2 THR 4 10.958 2.762 3.821 35 H GLY 5 H GLY 5 12.803 -0.824 3.681 36 HA2 GLY 5 2HA GLY 5 12.918 -2.264 6.172 37 HA3 GLY 5 3HA GLY 5 13.057 -3.308 4.765 38 H LYS 6 H LYS 6 15.174 -3.747 5.839 39 HA LYS 6 HA LYS 6 17.196 -1.983 4.677 40 HB2 LYS 6 2HB LYS 6 17.557 -3.025 7.476 41 HB3 LYS 6 3HB LYS 6 18.463 -1.763 6.651 42 HG2 LYS 6 2HG LYS 6 17.183 -0.461 7.990 43 HG3 LYS 6 3HG LYS 6 16.081 -0.598 6.618 44 HD2 LYS 6 2HD LYS 6 14.655 -2.000 7.728 45 HD3 LYS 6 3HD LYS 6 15.934 -2.677 8.739 46 HE2 LYS 6 2HE LYS 6 16.029 -0.506 9.954 47 HE3 LYS 6 3HE LYS 6 14.636 0.032 9.016 48 HZ1 LYS 6 3HZ LYS 6 14.771 -1.869 11.214 49 HZ2 LYS 6 1HZ LYS 6 13.709 -2.262 9.957 50 HZ3 LYS 6 2HZ LYS 6 13.536 -0.796 10.783 51 H CYS 7 H CYS 7 19.193 -3.001 4.240 52 HA CYS 7 HA CYS 7 19.018 -5.938 4.195 53 HB2 CYS 7 2HB CYS 7 21.065 -4.632 2.525 54 HB3 CYS 7 3HB CYS 7 19.951 -5.936 2.130 55 H THR 8 H THR 8 21.613 -6.606 3.712 56 HA THR 8 HA THR 8 23.180 -5.468 5.914 57 HB THR 8 HB THR 8 23.594 -8.326 5.766 58 HG1 THR 8 HG1 THR 8 21.568 -8.914 5.611 59 HG21 THR 8 3HG2 THR 8 23.131 -6.219 7.789 60 HG22 THR 8 1HG2 THR 8 24.349 -7.492 7.737 61 HG23 THR 8 2HG2 THR 8 22.707 -7.864 8.262 62 H LYS 9 H LYS 9 25.195 -5.031 5.309 63 HA LYS 9 HA LYS 9 26.151 -5.491 2.719 64 HB2 LYS 9 2HB LYS 9 28.369 -4.783 3.665 65 HB3 LYS 9 3HB LYS 9 27.045 -3.668 3.977 66 HG2 LYS 9 2HG LYS 9 27.212 -3.910 6.189 67 HG3 LYS 9 3HG LYS 9 27.408 -5.660 6.078 68 HD2 LYS 9 2HD LYS 9 29.783 -5.088 5.207 69 HD3 LYS 9 3HD LYS 9 29.487 -3.508 5.937 70 HE2 LYS 9 2HE LYS 9 29.342 -4.396 8.087 71 HE3 LYS 9 3HE LYS 9 29.044 -6.029 7.495 72 HZ1 LYS 9 3HZ LYS 9 31.612 -4.549 7.298 73 HZ2 LYS 9 1HZ LYS 9 31.331 -6.103 6.691 74 HZ3 LYS 9 2HZ LYS 9 31.278 -5.825 8.358 75 H SER 10 H SER 10 26.067 -7.541 5.442 76 HA SER 10 HA SER 10 28.304 -9.122 5.224 77 HB2 SER 10 2HB SER 10 25.464 -9.760 5.981 78 HB3 SER 10 3HB SER 10 26.694 -11.024 5.952 79 HG SER 10 HG SER 10 26.266 -9.669 7.979 80 H LYS 11 H LYS 11 25.203 -10.244 3.900 81 HA LYS 11 HA LYS 11 26.655 -11.208 1.524 82 HB2 LYS 11 2HB LYS 11 24.738 -12.633 3.319 83 HB3 LYS 11 3HB LYS 11 24.750 -13.036 1.607 84 HG2 LYS 11 2HG LYS 11 27.426 -13.052 2.328 85 HG3 LYS 11 3HG LYS 11 26.595 -13.792 3.698 86 HD2 LYS 11 2HD LYS 11 25.361 -14.955 1.535 87 HD3 LYS 11 3HD LYS 11 27.035 -14.809 0.996 88 HE2 LYS 11 2HE LYS 11 26.799 -16.929 2.066 89 HE3 LYS 11 3HE LYS 11 27.733 -15.889 3.140 90 HZ1 LYS 11 3HZ LYS 11 25.368 -17.253 3.703 91 HZ2 LYS 11 1HZ LYS 11 25.007 -15.601 3.743 92 HZ3 LYS 11 2HZ LYS 11 26.240 -16.220 4.720 93 H ASN 12 H ASN 12 24.718 -8.892 2.355 94 HA ASN 12 HA ASN 12 23.166 -7.606 1.301 95 HB2 ASN 12 2HB ASN 12 24.154 -7.470 -0.742 96 HB3 ASN 12 3HB ASN 12 24.350 -9.214 -0.879 97 HD21 ASN 12 2HD2 ASN 12 20.929 -7.412 -2.199 98 HD22 ASN 12 1HD2 ASN 12 21.945 -6.637 -1.035 99 H GLU 13 H GLU 13 21.189 -7.845 2.115 100 HA GLU 13 HA GLU 13 19.272 -9.523 0.864 101 HB2 GLU 13 2HB GLU 13 20.753 -10.884 2.718 102 HB3 GLU 13 3HB GLU 13 19.401 -10.322 3.690 103 HG2 GLU 13 2HG GLU 13 17.897 -11.292 1.892 104 HG3 GLU 13 3HG GLU 13 19.341 -12.089 1.269 105 H CYS 14 H CYS 14 18.015 -7.710 0.707 106 HA CYS 14 HA CYS 14 17.439 -6.079 3.016 107 HB2 CYS 14 2HB CYS 14 16.980 -5.938 0.126 108 HB3 CYS 14 3HB CYS 14 15.626 -5.337 1.078 109 H LYS 15 H LYS 15 16.081 -6.763 4.527 110 HA LYS 15 HA LYS 15 14.004 -8.686 3.915 111 HB2 LYS 15 2HB LYS 15 15.254 -8.973 5.971 112 HB3 LYS 15 3HB LYS 15 14.822 -7.353 6.501 113 HG2 LYS 15 2HG LYS 15 12.572 -9.155 5.891 114 HG3 LYS 15 3HG LYS 15 13.549 -9.572 7.301 115 HD2 LYS 15 2HD LYS 15 12.359 -6.843 6.817 116 HD3 LYS 15 3HD LYS 15 11.590 -8.097 7.794 117 HE2 LYS 15 2HE LYS 15 12.833 -7.543 9.550 118 HE3 LYS 15 3HE LYS 15 14.312 -7.778 8.619 119 HZ1 LYS 15 3HZ LYS 15 14.211 -5.531 7.860 120 HZ2 LYS 15 1HZ LYS 15 14.059 -5.516 9.545 121 HZ3 LYS 15 2HZ LYS 15 12.695 -5.290 8.571 122 H TYR 16 H TYR 16 11.776 -8.363 4.297 123 HA TYR 16 HA TYR 16 10.727 -5.792 4.982 124 HB2 TYR 16 2HB TYR 16 9.813 -5.129 2.897 125 HB3 TYR 16 3HB TYR 16 11.496 -5.527 2.571 126 HD1 TYR 16 HD1 TYR 16 8.285 -5.853 1.339 127 HD2 TYR 16 HD2 TYR 16 11.808 -8.155 1.964 128 HE1 TYR 16 HE1 TYR 16 7.567 -7.416 -0.419 129 HE2 TYR 16 HE2 TYR 16 11.101 -9.724 0.207 130 HH TYR 16 HH TYR 16 8.823 -9.075 -2.031 131 H LYS 17 H LYS 17 8.227 -5.893 3.975 132 HA LYS 17 HA LYS 17 7.197 -8.536 4.770 133 HB2 LYS 17 2HB LYS 17 5.525 -7.588 6.110 134 HB3 LYS 17 3HB LYS 17 6.962 -6.651 6.502 135 HG2 LYS 17 2HG LYS 17 4.869 -5.779 4.524 136 HG3 LYS 17 3HG LYS 17 4.896 -5.299 6.222 137 HD2 LYS 17 2HD LYS 17 7.380 -4.612 5.600 138 HD3 LYS 17 3HD LYS 17 6.680 -4.495 3.983 139 HE2 LYS 17 2HE LYS 17 6.402 -2.352 4.835 140 HE3 LYS 17 3HE LYS 17 4.835 -3.104 5.128 141 HZ1 LYS 17 3HZ LYS 17 6.893 -2.295 7.032 142 HZ2 LYS 17 1HZ LYS 17 6.022 -3.699 7.396 143 HZ3 LYS 17 2HZ LYS 17 5.208 -2.234 7.169 144 H ASN 18 H ASN 18 5.438 -9.312 3.652 145 HA ASN 18 HA ASN 18 4.713 -7.794 1.241 146 HB2 ASN 18 2HB ASN 18 3.905 -10.090 0.441 147 HB3 ASN 18 3HB ASN 18 5.645 -9.860 0.582 148 HD21 ASN 18 2HD2 ASN 18 6.050 -12.104 3.260 149 HD22 ASN 18 1HD2 ASN 18 6.701 -10.710 2.473 150 H ASP 19 H ASP 19 3.264 -10.053 3.589 151 HA ASP 19 HA ASP 19 0.592 -9.267 2.890 152 HB2 ASP 19 2HB ASP 19 1.849 -11.200 4.750 153 HB3 ASP 19 3HB ASP 19 0.257 -10.602 5.211 154 H ALA 20 H ALA 20 2.724 -8.744 5.681 155 HA ALA 20 HA ALA 20 1.839 -6.141 6.185 156 HB1 ALA 20 1HB ALA 20 0.433 -8.274 7.766 157 HB2 ALA 20 2HB ALA 20 0.598 -6.618 8.350 158 HB3 ALA 20 3HB ALA 20 -0.271 -6.941 6.850 159 H GLY 21 H GLY 21 2.967 -9.135 7.711 160 HA2 GLY 21 2HA GLY 21 5.199 -7.616 8.859 161 HA3 GLY 21 3HA GLY 21 4.206 -8.582 9.941 162 H LYS 22 H LYS 22 4.454 -9.959 6.870 163 HA LYS 22 HA LYS 22 5.868 -12.219 7.839 164 HB2 LYS 22 2HB LYS 22 4.697 -11.357 5.261 165 HB3 LYS 22 3HB LYS 22 5.998 -12.537 5.157 166 HG2 LYS 22 2HG LYS 22 4.496 -13.648 7.100 167 HG3 LYS 22 3HG LYS 22 3.248 -12.830 6.156 168 HD2 LYS 22 2HD LYS 22 4.381 -13.922 4.116 169 HD3 LYS 22 3HD LYS 22 5.163 -14.976 5.297 170 HE2 LYS 22 2HE LYS 22 3.262 -16.105 5.735 171 HE3 LYS 22 3HE LYS 22 2.259 -14.659 5.631 172 HZ1 LYS 22 3HZ LYS 22 2.000 -14.890 3.378 173 HZ2 LYS 22 1HZ LYS 22 2.053 -16.514 3.851 174 HZ3 LYS 22 2HZ LYS 22 3.422 -15.785 3.178 175 H ASP 23 H ASP 23 7.937 -11.966 8.449 176 HA ASP 23 HA ASP 23 9.783 -10.181 7.317 177 HB2 ASP 23 2HB ASP 23 11.500 -11.548 8.513 178 HB3 ASP 23 3HB ASP 23 10.150 -11.057 9.533 179 H THR 24 H THR 24 9.912 -10.334 5.106 180 HA THR 24 HA THR 24 10.892 -12.888 4.012 181 HB THR 24 HB THR 24 9.469 -10.630 2.589 182 HG1 THR 24 HG1 THR 24 8.628 -13.317 3.016 183 HG21 THR 24 3HG2 THR 24 9.455 -12.222 0.662 184 HG22 THR 24 1HG2 THR 24 10.583 -13.238 1.557 185 HG23 THR 24 2HG2 THR 24 11.056 -11.609 1.075 186 H PHE 25 H PHE 25 12.873 -12.972 3.156 187 HA PHE 25 HA PHE 25 14.431 -10.500 3.056 188 HB2 PHE 25 2HB PHE 25 15.500 -13.294 2.683 189 HB3 PHE 25 3HB PHE 25 16.377 -11.848 3.173 190 HD1 PHE 25 HD1 PHE 25 14.694 -10.766 5.290 191 HD2 PHE 25 HD2 PHE 25 15.728 -14.801 4.415 192 HE1 PHE 25 HE1 PHE 25 14.355 -11.362 7.653 193 HE2 PHE 25 HE2 PHE 25 15.390 -15.403 6.777 194 HZ PHE 25 HZ PHE 25 14.702 -13.683 8.399 195 H ILE 26 H ILE 26 15.008 -9.560 1.207 196 HA ILE 26 HA ILE 26 15.000 -11.136 -1.267 197 HB ILE 26 HB ILE 26 12.872 -10.082 -1.362 198 HG12 ILE 26 2HG1 ILE 26 13.094 -8.630 -3.309 199 HG13 ILE 26 3HG1 ILE 26 14.795 -8.360 -2.943 200 HG21 ILE 26 1HG2 ILE 26 14.236 -7.476 -0.698 201 HG22 ILE 26 2HG2 ILE 26 12.517 -7.707 -1.009 202 HG23 ILE 26 3HG2 ILE 26 13.259 -8.433 0.416 203 HD11 ILE 26 3HD1 ILE 26 15.431 -10.364 -3.773 204 HD12 ILE 26 1HD1 ILE 26 13.927 -11.161 -3.311 205 HD13 ILE 26 2HD1 ILE 26 13.975 -10.129 -4.740 206 H LYS 27 H LYS 27 16.912 -10.939 -2.204 207 HA LYS 27 HA LYS 27 18.873 -9.082 -1.433 208 HB2 LYS 27 2HB LYS 27 18.809 -10.526 -4.080 209 HB3 LYS 27 3HB LYS 27 20.220 -9.985 -3.180 210 HG2 LYS 27 2HG LYS 27 19.565 -11.614 -1.381 211 HG3 LYS 27 3HG LYS 27 18.363 -12.250 -2.506 212 HD2 LYS 27 2HD LYS 27 19.912 -13.471 -3.532 213 HD3 LYS 27 3HD LYS 27 20.897 -12.036 -3.827 214 HE2 LYS 27 2HE LYS 27 22.151 -12.344 -1.914 215 HE3 LYS 27 3HE LYS 27 20.893 -13.286 -1.115 216 HZ1 LYS 27 3HZ LYS 27 21.477 -14.852 -3.197 217 HZ2 LYS 27 1HZ LYS 27 22.204 -14.998 -1.677 218 HZ3 LYS 27 2HZ LYS 27 22.990 -14.153 -2.913 219 H CYS 28 H CYS 28 20.002 -8.118 -3.765 220 HA CYS 28 HA CYS 28 18.032 -6.081 -4.565 221 HB2 CYS 28 2HB CYS 28 20.363 -5.611 -3.323 222 HB3 CYS 28 3HB CYS 28 20.935 -5.609 -4.988 223 HA PRO 29 HA PRO 29 18.836 -8.535 -8.392 224 HB2 PRO 29 2HB PRO 29 16.276 -8.386 -9.283 225 HB3 PRO 29 3HB PRO 29 16.828 -9.624 -8.149 226 HG2 PRO 29 2HG PRO 29 15.361 -7.073 -7.602 227 HG3 PRO 29 3HG PRO 29 15.096 -8.685 -6.914 228 HD2 PRO 29 2HD PRO 29 16.439 -6.741 -5.593 229 HD3 PRO 29 3HD PRO 29 16.824 -8.463 -5.405 230 H LYS 30 H LYS 30 17.575 -5.405 -7.674 231 HA LYS 30 HA LYS 30 17.133 -4.386 -10.240 232 HB2 LYS 30 2HB LYS 30 17.914 -3.123 -7.629 233 HB3 LYS 30 3HB LYS 30 17.791 -2.153 -9.090 234 HG2 LYS 30 2HG LYS 30 15.544 -3.889 -8.113 235 HG3 LYS 30 3HG LYS 30 15.757 -2.217 -7.590 236 HD2 LYS 30 2HD LYS 30 15.972 -2.325 -10.432 237 HD3 LYS 30 3HD LYS 30 14.506 -3.177 -9.942 238 HE2 LYS 30 2HE LYS 30 14.227 -1.053 -8.391 239 HE3 LYS 30 3HE LYS 30 15.245 -0.312 -9.625 240 HZ1 LYS 30 3HZ LYS 30 13.549 -1.355 -11.241 241 HZ2 LYS 30 1HZ LYS 30 13.130 0.061 -10.416 242 HZ3 LYS 30 2HZ LYS 30 12.535 -1.431 -9.889 243 H PHE 31 H PHE 31 20.003 -3.753 -8.215 244 HA PHE 31 HA PHE 31 21.553 -3.361 -10.677 245 HB2 PHE 31 2HB PHE 31 22.704 -2.693 -8.016 246 HB3 PHE 31 3HB PHE 31 22.871 -1.856 -9.555 247 HD1 PHE 31 HD1 PHE 31 20.744 -2.324 -6.602 248 HD2 PHE 31 HD2 PHE 31 21.331 -0.150 -10.215 249 HE1 PHE 31 HE1 PHE 31 19.062 -0.678 -5.882 250 HE2 PHE 31 HE2 PHE 31 19.651 1.499 -9.500 251 HZ PHE 31 HZ PHE 31 18.514 1.236 -7.330 252 H ASP 32 H ASP 32 23.871 -4.067 -10.563 253 HA ASP 32 HA ASP 32 24.051 -6.690 -9.230 254 HB2 ASP 32 2HB ASP 32 25.557 -5.901 -11.722 255 HB3 ASP 32 3HB ASP 32 25.322 -7.516 -11.060 256 H ASN 33 H ASN 33 25.553 -3.622 -9.773 257 HA ASN 33 HA ASN 33 27.790 -4.446 -8.043 258 HB2 ASN 33 2HB ASN 33 27.913 -3.422 -10.693 259 HB3 ASN 33 3HB ASN 33 28.534 -2.176 -9.615 260 HD21 ASN 33 2HD2 ASN 33 31.095 -4.462 -8.337 261 HD22 ASN 33 1HD2 ASN 33 29.797 -3.523 -7.690 262 H LYS 34 H LYS 34 25.068 -2.995 -7.757 263 HA LYS 34 HA LYS 34 26.127 -0.823 -6.086 264 HB2 LYS 34 2HB LYS 34 23.567 -0.550 -7.651 265 HB3 LYS 34 3HB LYS 34 24.455 0.705 -6.796 266 HG2 LYS 34 2HG LYS 34 25.449 -0.737 -9.246 267 HG3 LYS 34 3HG LYS 34 24.676 0.850 -9.246 268 HD2 LYS 34 2HD LYS 34 26.880 0.658 -7.349 269 HD3 LYS 34 3HD LYS 34 27.379 0.362 -9.016 270 HE2 LYS 34 2HE LYS 34 26.709 2.473 -9.721 271 HE3 LYS 34 3HE LYS 34 25.633 2.699 -8.344 272 HZ1 LYS 34 3HZ LYS 34 27.274 3.848 -7.422 273 HZ2 LYS 34 1HZ LYS 34 28.385 3.378 -8.610 274 HZ3 LYS 34 2HZ LYS 34 28.131 2.399 -7.254 275 H LYS 35 H LYS 35 24.675 -3.669 -6.033 276 HA LYS 35 HA LYS 35 22.296 -3.478 -4.656 277 HB2 LYS 35 2HB LYS 35 22.999 -5.671 -3.577 278 HB3 LYS 35 3HB LYS 35 22.999 -5.629 -5.335 279 HG2 LYS 35 2HG LYS 35 24.965 -6.757 -4.694 280 HG3 LYS 35 3HG LYS 35 25.467 -5.146 -5.212 281 HD2 LYS 35 2HD LYS 35 25.875 -4.439 -3.025 282 HD3 LYS 35 3HD LYS 35 24.896 -5.732 -2.327 283 HE2 LYS 35 2HE LYS 35 26.982 -6.561 -1.910 284 HE3 LYS 35 3HE LYS 35 26.703 -7.255 -3.506 285 HZ1 LYS 35 3HZ LYS 35 28.888 -5.914 -2.903 286 HZ2 LYS 35 1HZ LYS 35 27.933 -4.614 -3.413 287 HZ3 LYS 35 2HZ LYS 35 28.227 -5.908 -4.461 288 H CYS 36 H CYS 36 21.984 -4.084 -2.286 289 HA CYS 36 HA CYS 36 22.809 -2.030 -0.645 290 HB2 CYS 36 2HB CYS 36 21.743 -4.777 -0.103 291 HB3 CYS 36 3HB CYS 36 22.278 -3.776 1.243 292 H THR 37 H THR 37 24.735 -1.492 0.111 293 HA THR 37 HA THR 37 26.661 -3.638 0.725 294 HB THR 37 HB THR 37 28.452 -1.911 0.205 295 HG1 THR 37 HG1 THR 37 26.237 -0.645 -1.071 296 HG21 THR 37 3HG2 THR 37 27.155 -2.279 -2.379 297 HG22 THR 37 1HG2 THR 37 27.174 -3.749 -1.405 298 HG23 THR 37 2HG2 THR 37 28.685 -2.921 -1.782 299 H LYS 38 H LYS 38 24.774 -2.488 2.548 300 HA LYS 38 HA LYS 38 26.641 -1.580 4.578 301 HB2 LYS 38 2HB LYS 38 24.952 0.251 3.195 302 HB3 LYS 38 3HB LYS 38 24.345 0.092 4.839 303 HG2 LYS 38 2HG LYS 38 27.261 0.448 4.543 304 HG3 LYS 38 3HG LYS 38 26.245 1.832 4.134 305 HD2 LYS 38 2HD LYS 38 25.827 0.331 6.693 306 HD3 LYS 38 3HD LYS 38 27.084 1.565 6.568 307 HE2 LYS 38 2HE LYS 38 24.839 2.753 5.451 308 HE3 LYS 38 3HE LYS 38 24.210 1.856 6.833 309 HZ1 LYS 38 3HZ LYS 38 26.623 3.330 7.390 310 HZ2 LYS 38 1HZ LYS 38 25.178 3.247 8.266 311 HZ3 LYS 38 2HZ LYS 38 25.313 4.310 6.958 312 H ASP 39 H ASP 39 25.768 -1.703 6.737 313 HA ASP 39 HA ASP 39 23.799 -3.830 6.966 314 HB2 ASP 39 2HB ASP 39 25.686 -2.523 8.919 315 HB3 ASP 39 3HB ASP 39 24.436 -3.648 9.443 316 H ASN 40 H ASN 40 21.730 -3.506 7.436 317 HA ASN 40 HA ASN 40 19.779 -2.500 8.028 318 HB2 ASN 40 2HB ASN 40 21.575 -1.011 9.957 319 HB3 ASN 40 3HB ASN 40 19.815 -1.047 10.032 320 HD21 ASN 40 2HD2 ASN 40 19.843 -3.834 12.042 321 HD22 ASN 40 1HD2 ASN 40 19.157 -2.311 11.599 322 H ASN 41 H ASN 41 21.039 -1.470 5.769 323 HA ASN 41 HA ASN 41 21.108 1.394 5.860 324 HB2 ASN 41 2HB ASN 41 21.367 1.241 3.412 325 HB3 ASN 41 3HB ASN 41 22.486 0.172 4.254 326 HD21 ASN 41 2HD2 ASN 41 21.309 -2.725 2.785 327 HD22 ASN 41 1HD2 ASN 41 22.432 -1.956 3.850 328 H LYS 42 H LYS 42 19.781 2.281 3.687 329 HA LYS 42 HA LYS 42 16.973 1.862 4.447 330 HB2 LYS 42 2HB LYS 42 18.057 4.150 2.811 331 HB3 LYS 42 3HB LYS 42 16.514 4.054 3.649 332 HG2 LYS 42 2HG LYS 42 18.225 3.733 5.717 333 HG3 LYS 42 3HG LYS 42 19.173 4.779 4.658 334 HD2 LYS 42 2HD LYS 42 18.024 6.471 5.562 335 HD3 LYS 42 3HD LYS 42 16.670 5.919 4.575 336 HE2 LYS 42 2HE LYS 42 16.600 4.272 6.801 337 HE3 LYS 42 3HE LYS 42 17.023 5.853 7.455 338 HZ1 LYS 42 3HZ LYS 42 15.026 6.719 6.901 339 HZ2 LYS 42 1HZ LYS 42 14.531 5.106 7.028 340 HZ3 LYS 42 2HZ LYS 42 14.856 5.774 5.509 341 H CYS 43 H CYS 43 15.931 0.486 3.171 342 HA CYS 43 HA CYS 43 16.078 0.846 0.283 343 HB2 CYS 43 2HB CYS 43 16.536 -1.443 -0.211 344 HB3 CYS 43 3HB CYS 43 17.761 -0.918 0.940 345 H THR 44 H THR 44 14.205 0.325 -0.784 346 HA THR 44 HA THR 44 11.982 -0.647 0.891 347 HB THR 44 HB THR 44 10.565 0.711 -0.842 348 HG1 THR 44 HG1 THR 44 11.658 2.064 -2.046 349 HG21 THR 44 3HG2 THR 44 10.164 1.750 1.091 350 HG22 THR 44 1HG2 THR 44 11.516 2.820 0.725 351 HG23 THR 44 2HG2 THR 44 11.777 1.370 1.694 352 H VAL 45 H VAL 45 11.044 -2.456 0.212 353 HA VAL 45 HA VAL 45 11.738 -3.531 -2.401 354 HB VAL 45 HB VAL 45 10.167 -4.766 -0.135 355 HG11 VAL 45 1HG1 VAL 45 9.434 -5.880 -2.051 356 HG12 VAL 45 2HG1 VAL 45 11.025 -5.815 -2.811 357 HG13 VAL 45 3HG1 VAL 45 10.742 -6.896 -1.446 358 HG21 VAL 45 3HG2 VAL 45 12.124 -5.936 0.460 359 HG22 VAL 45 1HG2 VAL 45 12.949 -5.472 -1.028 360 HG23 VAL 45 2HG2 VAL 45 12.636 -4.265 0.219 361 H ASP 46 H ASP 46 10.285 -4.033 -4.013 362 HA ASP 46 HA ASP 46 7.546 -3.004 -3.663 363 HB2 ASP 46 2HB ASP 46 9.570 -2.197 -5.547 364 HB3 ASP 46 3HB ASP 46 8.187 -2.871 -6.404 365 H THR 47 H THR 47 6.360 -4.810 -3.476 366 HA THR 47 HA THR 47 6.962 -7.248 -4.823 367 HB THR 47 HB THR 47 5.725 -7.125 -2.655 368 HG1 THR 47 HG1 THR 47 4.505 -8.901 -3.163 369 HG21 THR 47 3HG2 THR 47 3.324 -6.654 -2.700 370 HG22 THR 47 1HG2 THR 47 3.433 -6.227 -4.407 371 HG23 THR 47 2HG2 THR 47 4.254 -5.241 -3.197 372 H TYR 48 H TYR 48 5.418 -4.395 -5.794 373 HA TYR 48 HA TYR 48 3.382 -5.207 -7.467 374 HB2 TYR 48 2HB TYR 48 3.949 -2.847 -6.985 375 HB3 TYR 48 3HB TYR 48 5.372 -2.993 -8.010 376 HD1 TYR 48 HD1 TYR 48 1.737 -3.841 -8.320 377 HD2 TYR 48 HD2 TYR 48 5.143 -1.977 -10.059 378 HE1 TYR 48 HE1 TYR 48 0.385 -3.209 -10.275 379 HE2 TYR 48 HE2 TYR 48 3.801 -1.339 -12.018 380 HH TYR 48 HH TYR 48 0.368 -2.227 -12.262 381 H ASN 49 H ASN 49 6.855 -5.262 -8.024 382 HA ASN 49 HA ASN 49 6.509 -7.172 -10.159 383 HB2 ASN 49 2HB ASN 49 7.571 -5.932 -11.898 384 HB3 ASN 49 3HB ASN 49 6.303 -4.897 -11.249 385 HD21 ASN 49 2HD2 ASN 49 8.702 -2.794 -9.520 386 HD22 ASN 49 1HD2 ASN 49 7.255 -3.673 -9.174 387 H ASN 50 H ASN 50 7.807 -6.826 -7.472 388 HA ASN 50 HA ASN 50 9.705 -7.468 -6.396 389 HB2 ASN 50 2HB ASN 50 9.266 -9.435 -8.013 390 HB3 ASN 50 3HB ASN 50 10.607 -8.782 -8.949 391 HD21 ASN 50 2HD2 ASN 50 11.885 -11.361 -6.632 392 HD22 ASN 50 1HD2 ASN 50 10.705 -11.306 -7.893 393 H ALA 51 H ALA 51 10.708 -5.515 -6.077 394 HA ALA 51 HA ALA 51 13.200 -5.109 -7.369 395 HB1 ALA 51 1HB ALA 51 11.080 -4.015 -8.766 396 HB2 ALA 51 2HB ALA 51 11.737 -2.653 -7.858 397 HB3 ALA 51 3HB ALA 51 12.781 -3.581 -8.934 398 H VAL 52 H VAL 52 14.418 -4.511 -5.710 399 HA VAL 52 HA VAL 52 13.236 -2.901 -3.564 400 HB VAL 52 HB VAL 52 14.432 -5.075 -3.052 401 HG11 VAL 52 1HG1 VAL 52 16.286 -4.778 -4.630 402 HG12 VAL 52 2HG1 VAL 52 16.874 -3.417 -3.674 403 HG13 VAL 52 3HG1 VAL 52 16.862 -5.041 -2.985 404 HG21 VAL 52 3HG2 VAL 52 15.472 -2.562 -1.746 405 HG22 VAL 52 1HG2 VAL 52 13.968 -3.392 -1.346 406 HG23 VAL 52 2HG2 VAL 52 15.517 -4.181 -1.050 407 H ASP 53 H ASP 53 14.129 -0.978 -2.871 408 HA ASP 53 HA ASP 53 15.932 0.311 -4.792 409 HB2 ASP 53 2HB ASP 53 13.946 1.381 -2.798 410 HB3 ASP 53 3HB ASP 53 15.171 2.419 -3.522 411 H CYS 54 H CYS 54 17.636 -1.064 -3.680 412 HA CYS 54 HA CYS 54 18.492 -0.732 -1.081 413 HB2 CYS 54 2HB CYS 54 20.131 -1.129 -3.590 414 HB3 CYS 54 3HB CYS 54 20.782 -1.268 -1.961 415 H ASP 55 H ASP 55 20.178 0.550 -0.142 416 HA ASP 55 HA ASP 55 19.904 3.286 -0.506 417 HB2 ASP 55 2HB ASP 55 21.192 1.672 1.309 418 HB3 ASP 55 3HB ASP 55 22.536 2.489 0.516 Start of MODEL 3 1 H1 ALA 1 H ALA 1 1.973 -0.693 -1.099 2 HA ALA 1 HA ALA 1 2.266 1.069 -3.167 3 HB1 ALA 1 1HB ALA 1 1.578 2.487 -0.613 4 HB2 ALA 1 2HB ALA 1 2.538 3.259 -1.876 5 HB3 ALA 1 3HB ALA 1 0.897 2.716 -2.223 6 H LYS 2 H LYS 2 3.967 -0.682 -2.751 7 HA LYS 2 HA LYS 2 6.158 -1.183 -2.401 8 HB2 LYS 2 2HB LYS 2 6.084 1.591 -2.816 9 HB3 LYS 2 3HB LYS 2 7.116 1.359 -1.410 10 HG2 LYS 2 2HG LYS 2 8.021 -0.569 -3.133 11 HG3 LYS 2 3HG LYS 2 7.610 0.761 -4.218 12 HD2 LYS 2 2HD LYS 2 9.157 1.348 -1.737 13 HD3 LYS 2 3HD LYS 2 9.989 0.605 -3.106 14 HE2 LYS 2 2HE LYS 2 8.270 2.875 -3.809 15 HE3 LYS 2 3HE LYS 2 9.624 3.285 -2.757 16 HZ1 LYS 2 3HZ LYS 2 9.631 2.669 -5.530 17 HZ2 LYS 2 1HZ LYS 2 10.670 1.631 -4.689 18 HZ3 LYS 2 2HZ LYS 2 10.872 3.307 -4.573 19 H TYR 3 H TYR 3 7.769 -1.494 -0.709 20 HA TYR 3 HA TYR 3 6.638 -1.117 1.987 21 HB2 TYR 3 2HB TYR 3 8.253 -3.451 0.941 22 HB3 TYR 3 3HB TYR 3 7.756 -3.241 2.616 23 HD1 TYR 3 HD1 TYR 3 5.182 -2.975 3.006 24 HD2 TYR 3 HD2 TYR 3 6.903 -4.670 -0.497 25 HE1 TYR 3 HE1 TYR 3 3.059 -4.119 2.523 26 HE2 TYR 3 HE2 TYR 3 4.785 -5.818 -0.990 27 HH TYR 3 HH TYR 3 1.873 -5.122 0.732 28 H THR 4 H THR 4 8.507 -1.571 3.673 29 HA THR 4 HA THR 4 10.955 -0.202 2.792 30 HB THR 4 HB THR 4 9.877 0.422 5.506 31 HG1 THR 4 HG1 THR 4 9.147 2.024 3.297 32 HG21 THR 4 3HG2 THR 4 11.158 2.389 5.295 33 HG22 THR 4 1HG2 THR 4 11.276 2.223 3.544 34 HG23 THR 4 2HG2 THR 4 12.159 1.116 4.596 35 H GLY 5 H GLY 5 12.828 -0.637 4.058 36 HA2 GLY 5 2HA GLY 5 12.872 -2.302 6.324 37 HA3 GLY 5 3HA GLY 5 13.085 -3.301 4.895 38 H LYS 6 H LYS 6 15.180 -3.806 5.831 39 HA LYS 6 HA LYS 6 17.191 -1.876 4.949 40 HB2 LYS 6 2HB LYS 6 17.538 -3.281 7.585 41 HB3 LYS 6 3HB LYS 6 18.423 -1.899 6.953 42 HG2 LYS 6 2HG LYS 6 17.100 -0.825 8.445 43 HG3 LYS 6 3HG LYS 6 16.020 -0.788 7.049 44 HD2 LYS 6 2HD LYS 6 14.492 -1.830 8.285 45 HD3 LYS 6 3HD LYS 6 15.548 -3.245 8.311 46 HE2 LYS 6 2HE LYS 6 16.601 -2.479 10.337 47 HE3 LYS 6 3HE LYS 6 15.705 -0.962 10.275 48 HZ1 LYS 6 3HZ LYS 6 14.117 -1.931 11.450 49 HZ2 LYS 6 1HZ LYS 6 14.931 -3.414 11.421 50 HZ3 LYS 6 2HZ LYS 6 13.841 -3.023 10.188 51 H CYS 7 H CYS 7 19.212 -2.801 4.417 52 HA CYS 7 HA CYS 7 19.027 -5.644 3.765 53 HB2 CYS 7 2HB CYS 7 20.769 -3.394 2.783 54 HB3 CYS 7 3HB CYS 7 21.167 -5.075 2.440 55 H THR 8 H THR 8 21.505 -6.548 3.657 56 HA THR 8 HA THR 8 22.844 -5.957 6.190 57 HB THR 8 HB THR 8 22.930 -8.774 5.918 58 HG1 THR 8 HG1 THR 8 20.997 -9.266 5.234 59 HG21 THR 8 3HG2 THR 8 22.414 -8.732 8.141 60 HG22 THR 8 1HG2 THR 8 21.161 -7.507 7.941 61 HG23 THR 8 2HG2 THR 8 22.862 -7.039 7.937 62 H LYS 9 H LYS 9 24.825 -5.423 5.540 63 HA LYS 9 HA LYS 9 26.060 -6.092 3.156 64 HB2 LYS 9 2HB LYS 9 28.190 -5.471 4.291 65 HB3 LYS 9 3HB LYS 9 26.904 -4.291 4.511 66 HG2 LYS 9 2HG LYS 9 27.008 -4.481 6.716 67 HG3 LYS 9 3HG LYS 9 26.881 -6.240 6.633 68 HD2 LYS 9 2HD LYS 9 28.957 -6.052 7.567 69 HD3 LYS 9 3HD LYS 9 29.403 -6.023 5.859 70 HE2 LYS 9 2HE LYS 9 28.816 -3.371 6.535 71 HE3 LYS 9 3HE LYS 9 29.758 -4.004 7.883 72 HZ1 LYS 9 3HZ LYS 9 30.546 -3.573 5.105 73 HZ2 LYS 9 1HZ LYS 9 31.211 -4.914 5.894 74 HZ3 LYS 9 2HZ LYS 9 31.437 -3.362 6.528 75 H SER 10 H SER 10 25.616 -8.005 5.973 76 HA SER 10 HA SER 10 27.704 -9.744 6.055 77 HB2 SER 10 2HB SER 10 25.496 -9.752 7.401 78 HB3 SER 10 3HB SER 10 24.885 -10.800 6.121 79 HG SER 10 HG SER 10 26.566 -12.252 6.590 80 H LYS 11 H LYS 11 24.844 -10.153 3.965 81 HA LYS 11 HA LYS 11 26.497 -11.281 1.875 82 HB2 LYS 11 2HB LYS 11 25.298 -13.019 3.711 83 HB3 LYS 11 3HB LYS 11 24.257 -13.071 2.294 84 HG2 LYS 11 2HG LYS 11 25.857 -14.022 0.977 85 HG3 LYS 11 3HG LYS 11 27.190 -13.306 1.887 86 HD2 LYS 11 2HD LYS 11 27.398 -15.149 3.115 87 HD3 LYS 11 3HD LYS 11 25.697 -15.078 3.579 88 HE2 LYS 11 2HE LYS 11 25.044 -16.515 1.920 89 HE3 LYS 11 3HE LYS 11 26.379 -16.069 0.858 90 HZ1 LYS 11 3HZ LYS 11 26.832 -17.566 3.367 91 HZ2 LYS 11 1HZ LYS 11 27.852 -17.426 2.024 92 HZ3 LYS 11 2HZ LYS 11 26.445 -18.358 1.923 93 H ASN 12 H ASN 12 24.549 -9.037 2.459 94 HA ASN 12 HA ASN 12 23.028 -7.820 1.283 95 HB2 ASN 12 2HB ASN 12 24.409 -9.362 -0.663 96 HB3 ASN 12 3HB ASN 12 22.704 -9.368 -1.101 97 HD21 ASN 12 2HD2 ASN 12 22.859 -6.228 -2.486 98 HD22 ASN 12 1HD2 ASN 12 22.145 -7.799 -2.408 99 H GLU 13 H GLU 13 21.007 -7.849 1.993 100 HA GLU 13 HA GLU 13 19.015 -9.536 1.001 101 HB2 GLU 13 2HB GLU 13 20.544 -10.809 2.973 102 HB3 GLU 13 3HB GLU 13 19.064 -10.318 3.786 103 HG2 GLU 13 2HG GLU 13 17.761 -11.446 2.020 104 HG3 GLU 13 3HG GLU 13 19.271 -12.005 1.303 105 H CYS 14 H CYS 14 17.548 -7.956 0.930 106 HA CYS 14 HA CYS 14 17.207 -6.188 3.234 107 HB2 CYS 14 2HB CYS 14 16.727 -5.984 0.348 108 HB3 CYS 14 3HB CYS 14 15.420 -5.328 1.328 109 H LYS 15 H LYS 15 15.822 -6.826 4.740 110 HA LYS 15 HA LYS 15 13.680 -8.670 4.128 111 HB2 LYS 15 2HB LYS 15 14.814 -9.057 6.187 112 HB3 LYS 15 3HB LYS 15 14.635 -7.378 6.680 113 HG2 LYS 15 2HG LYS 15 12.157 -8.922 6.183 114 HG3 LYS 15 3HG LYS 15 13.093 -9.315 7.627 115 HD2 LYS 15 2HD LYS 15 12.669 -6.442 7.136 116 HD3 LYS 15 3HD LYS 15 11.214 -7.369 7.512 117 HE2 LYS 15 2HE LYS 15 12.386 -8.267 9.516 118 HE3 LYS 15 3HE LYS 15 13.731 -7.184 9.163 119 HZ1 LYS 15 3HZ LYS 15 10.959 -6.440 9.902 120 HZ2 LYS 15 1HZ LYS 15 12.080 -5.328 9.295 121 HZ3 LYS 15 2HZ LYS 15 12.381 -6.117 10.760 122 H TYR 16 H TYR 16 11.468 -8.272 4.412 123 HA TYR 16 HA TYR 16 10.456 -5.706 5.140 124 HB2 TYR 16 2HB TYR 16 9.679 -4.910 3.051 125 HB3 TYR 16 3HB TYR 16 11.361 -5.356 2.784 126 HD1 TYR 16 HD1 TYR 16 11.696 -7.857 1.947 127 HD2 TYR 16 HD2 TYR 16 8.115 -5.603 1.503 128 HE1 TYR 16 HE1 TYR 16 11.019 -9.312 0.083 129 HE2 TYR 16 HE2 TYR 16 7.427 -7.053 -0.361 130 HH TYR 16 HH TYR 16 9.370 -9.854 -1.325 131 H LYS 17 H LYS 17 8.013 -5.703 3.952 132 HA LYS 17 HA LYS 17 6.862 -8.275 4.812 133 HB2 LYS 17 2HB LYS 17 4.789 -6.933 5.294 134 HB3 LYS 17 3HB LYS 17 6.164 -6.573 6.330 135 HG2 LYS 17 2HG LYS 17 6.271 -4.840 4.083 136 HG3 LYS 17 3HG LYS 17 4.634 -4.799 4.744 137 HD2 LYS 17 2HD LYS 17 6.052 -4.672 7.024 138 HD3 LYS 17 3HD LYS 17 7.187 -3.887 5.923 139 HE2 LYS 17 2HE LYS 17 4.868 -2.680 5.215 140 HE3 LYS 17 3HE LYS 17 4.576 -2.973 6.929 141 HZ1 LYS 17 3HZ LYS 17 6.152 -1.504 7.540 142 HZ2 LYS 17 1HZ LYS 17 5.846 -0.835 6.017 143 HZ3 LYS 17 2HZ LYS 17 7.172 -1.861 6.239 144 H ASN 18 H ASN 18 5.872 -9.436 3.303 145 HA ASN 18 HA ASN 18 5.347 -8.237 0.702 146 HB2 ASN 18 2HB ASN 18 4.825 -10.660 0.082 147 HB3 ASN 18 3HB ASN 18 6.489 -10.303 0.536 148 HD21 ASN 18 2HD2 ASN 18 6.475 -12.263 3.427 149 HD22 ASN 18 1HD2 ASN 18 7.260 -10.999 2.548 150 H ASP 19 H ASP 19 3.589 -10.228 3.077 151 HA ASP 19 HA ASP 19 1.061 -9.701 1.789 152 HB2 ASP 19 2HB ASP 19 2.027 -11.401 4.010 153 HB3 ASP 19 3HB ASP 19 0.363 -10.839 4.143 154 H ALA 20 H ALA 20 2.687 -8.740 4.783 155 HA ALA 20 HA ALA 20 1.524 -6.195 4.868 156 HB1 ALA 20 1HB ALA 20 0.052 -6.547 6.892 157 HB2 ALA 20 2HB ALA 20 -0.572 -7.168 5.364 158 HB3 ALA 20 3HB ALA 20 0.136 -8.274 6.541 159 H GLY 21 H GLY 21 2.695 -8.881 6.868 160 HA2 GLY 21 2HA GLY 21 4.676 -7.069 8.031 161 HA3 GLY 21 3HA GLY 21 3.589 -7.894 9.139 162 H LYS 22 H LYS 22 4.336 -9.689 6.352 163 HA LYS 22 HA LYS 22 5.712 -11.672 7.886 164 HB2 LYS 22 2HB LYS 22 4.694 -11.405 5.124 165 HB3 LYS 22 3HB LYS 22 6.074 -12.477 5.322 166 HG2 LYS 22 2HG LYS 22 4.056 -12.943 7.343 167 HG3 LYS 22 3HG LYS 22 3.411 -13.114 5.709 168 HD2 LYS 22 2HD LYS 22 4.195 -15.243 6.120 169 HD3 LYS 22 3HD LYS 22 5.580 -14.511 5.306 170 HE2 LYS 22 2HE LYS 22 6.271 -13.873 7.759 171 HE3 LYS 22 3HE LYS 22 5.213 -15.218 8.180 172 HZ1 LYS 22 3HZ LYS 22 6.581 -16.731 7.172 173 HZ2 LYS 22 1HZ LYS 22 7.727 -15.616 7.725 174 HZ3 LYS 22 2HZ LYS 22 7.251 -15.604 6.103 175 H ASP 23 H ASP 23 7.704 -11.143 8.583 176 HA ASP 23 HA ASP 23 9.545 -9.523 7.199 177 HB2 ASP 23 2HB ASP 23 9.995 -11.566 9.384 178 HB3 ASP 23 3HB ASP 23 11.212 -10.422 8.825 179 H THR 24 H THR 24 9.858 -10.207 5.105 180 HA THR 24 HA THR 24 11.142 -12.840 4.774 181 HB THR 24 HB THR 24 9.589 -11.236 2.734 182 HG1 THR 24 HG1 THR 24 8.998 -13.440 4.376 183 HG21 THR 24 3HG2 THR 24 9.936 -13.801 1.765 184 HG22 THR 24 1HG2 THR 24 11.507 -13.409 2.462 185 HG23 THR 24 2HG2 THR 24 10.804 -12.363 1.228 186 H PHE 25 H PHE 25 13.218 -12.835 4.228 187 HA PHE 25 HA PHE 25 14.500 -10.335 3.498 188 HB2 PHE 25 2HB PHE 25 15.544 -13.069 4.222 189 HB3 PHE 25 3HB PHE 25 16.600 -11.790 3.631 190 HD1 PHE 25 HD1 PHE 25 13.889 -12.192 6.169 191 HD2 PHE 25 HD2 PHE 25 17.721 -10.597 5.227 192 HE1 PHE 25 HE1 PHE 25 14.076 -11.299 8.454 193 HE2 PHE 25 HE2 PHE 25 17.914 -9.702 7.510 194 HZ PHE 25 HZ PHE 25 16.091 -10.054 9.128 195 H ILE 26 H ILE 26 15.648 -9.966 1.608 196 HA ILE 26 HA ILE 26 15.847 -11.966 -0.445 197 HB ILE 26 HB ILE 26 13.528 -11.344 -0.792 198 HG12 ILE 26 2HG1 ILE 26 13.675 -10.575 -3.137 199 HG13 ILE 26 3HG1 ILE 26 15.353 -10.114 -2.871 200 HG21 ILE 26 1HG2 ILE 26 14.500 -8.512 -1.145 201 HG22 ILE 26 2HG2 ILE 26 12.838 -9.084 -1.280 202 HG23 ILE 26 3HG2 ILE 26 13.660 -9.121 0.280 203 HD11 ILE 26 3HD1 ILE 26 14.491 -12.506 -3.860 204 HD12 ILE 26 1HD1 ILE 26 16.078 -12.198 -3.155 205 HD13 ILE 26 2HD1 ILE 26 14.789 -12.881 -2.163 206 H LYS 27 H LYS 27 17.537 -11.545 -1.733 207 HA LYS 27 HA LYS 27 19.326 -9.483 -1.205 208 HB2 LYS 27 2HB LYS 27 20.562 -10.228 -3.090 209 HB3 LYS 27 3HB LYS 27 19.790 -11.657 -2.414 210 HG2 LYS 27 2HG LYS 27 17.947 -11.236 -4.148 211 HG3 LYS 27 3HG LYS 27 19.119 -10.169 -4.924 212 HD2 LYS 27 2HD LYS 27 20.569 -12.463 -4.404 213 HD3 LYS 27 3HD LYS 27 18.983 -13.074 -4.880 214 HE2 LYS 27 2HE LYS 27 19.282 -11.248 -6.785 215 HE3 LYS 27 3HE LYS 27 20.987 -11.541 -6.447 216 HZ1 LYS 27 3HZ LYS 27 20.206 -12.988 -8.197 217 HZ2 LYS 27 1HZ LYS 27 18.980 -13.596 -7.203 218 HZ3 LYS 27 2HZ LYS 27 20.601 -13.908 -6.833 219 H CYS 28 H CYS 28 20.142 -8.098 -3.247 220 HA CYS 28 HA CYS 28 17.811 -6.497 -4.066 221 HB2 CYS 28 2HB CYS 28 20.634 -5.469 -4.049 222 HB3 CYS 28 3HB CYS 28 19.128 -4.562 -3.959 223 HA PRO 29 HA PRO 29 19.395 -8.356 -7.977 224 HB2 PRO 29 2HB PRO 29 16.933 -8.664 -9.078 225 HB3 PRO 29 3HB PRO 29 17.656 -9.858 -7.993 226 HG2 PRO 29 2HG PRO 29 15.639 -7.728 -7.393 227 HG3 PRO 29 3HG PRO 29 15.679 -9.415 -6.850 228 HD2 PRO 29 2HD PRO 29 16.476 -7.360 -5.277 229 HD3 PRO 29 3HD PRO 29 17.208 -8.975 -5.183 230 H LYS 30 H LYS 30 17.408 -5.648 -7.161 231 HA LYS 30 HA LYS 30 16.852 -4.487 -9.597 232 HB2 LYS 30 2HB LYS 30 16.779 -3.697 -6.909 233 HB3 LYS 30 3HB LYS 30 17.761 -2.483 -7.718 234 HG2 LYS 30 2HG LYS 30 15.097 -3.323 -8.804 235 HG3 LYS 30 3HG LYS 30 15.247 -2.078 -7.561 236 HD2 LYS 30 2HD LYS 30 17.046 -1.127 -9.262 237 HD3 LYS 30 3HD LYS 30 16.064 -2.027 -10.420 238 HE2 LYS 30 2HE LYS 30 14.696 -0.254 -8.457 239 HE3 LYS 30 3HE LYS 30 15.529 0.485 -9.823 240 HZ1 LYS 30 3HZ LYS 30 14.215 -1.014 -11.283 241 HZ2 LYS 30 1HZ LYS 30 13.279 0.116 -10.441 242 HZ3 LYS 30 2HZ LYS 30 13.323 -1.495 -9.928 243 H PHE 31 H PHE 31 19.696 -3.698 -7.587 244 HA PHE 31 HA PHE 31 21.086 -2.867 -10.042 245 HB2 PHE 31 2HB PHE 31 22.247 -2.197 -7.399 246 HB3 PHE 31 3HB PHE 31 22.142 -1.225 -8.863 247 HD1 PHE 31 HD1 PHE 31 20.360 -2.312 -5.843 248 HD2 PHE 31 HD2 PHE 31 20.289 0.228 -9.258 249 HE1 PHE 31 HE1 PHE 31 18.478 -1.061 -4.869 250 HE2 PHE 31 HE2 PHE 31 18.408 1.483 -8.290 251 HZ PHE 31 HZ PHE 31 17.500 0.839 -6.092 252 H ASP 32 H ASP 32 23.239 -3.513 -10.402 253 HA ASP 32 HA ASP 32 23.938 -6.034 -9.067 254 HB2 ASP 32 2HB ASP 32 23.626 -5.897 -11.606 255 HB3 ASP 32 3HB ASP 32 25.140 -4.997 -11.629 256 H ASN 33 H ASN 33 25.042 -2.799 -9.690 257 HA ASN 33 HA ASN 33 27.520 -3.388 -8.206 258 HB2 ASN 33 2HB ASN 33 27.599 -2.576 -10.700 259 HB3 ASN 33 3HB ASN 33 27.268 -0.996 -9.994 260 HD21 ASN 33 2HD2 ASN 33 30.744 -2.844 -8.863 261 HD22 ASN 33 1HD2 ASN 33 29.287 -3.756 -9.042 262 H LYS 34 H LYS 34 24.573 -1.776 -8.161 263 HA LYS 34 HA LYS 34 25.525 0.075 -6.073 264 HB2 LYS 34 2HB LYS 34 23.197 0.340 -7.980 265 HB3 LYS 34 3HB LYS 34 23.459 1.408 -6.608 266 HG2 LYS 34 2HG LYS 34 24.503 2.668 -8.147 267 HG3 LYS 34 3HG LYS 34 25.860 1.596 -7.794 268 HD2 LYS 34 2HD LYS 34 25.648 1.721 -10.165 269 HD3 LYS 34 3HD LYS 34 25.068 0.129 -9.668 270 HE2 LYS 34 2HE LYS 34 22.803 0.774 -9.938 271 HE3 LYS 34 3HE LYS 34 23.234 2.476 -10.095 272 HZ1 LYS 34 3HZ LYS 34 24.276 0.525 -12.034 273 HZ2 LYS 34 1HZ LYS 34 23.988 2.181 -12.230 274 HZ3 LYS 34 2HZ LYS 34 22.692 1.096 -12.194 275 H LYS 35 H LYS 35 24.539 -2.802 -6.005 276 HA LYS 35 HA LYS 35 22.014 -2.790 -4.696 277 HB2 LYS 35 2HB LYS 35 22.600 -5.121 -4.065 278 HB3 LYS 35 3HB LYS 35 22.786 -4.801 -5.784 279 HG2 LYS 35 2HG LYS 35 25.280 -4.255 -4.925 280 HG3 LYS 35 3HG LYS 35 24.800 -5.486 -3.754 281 HD2 LYS 35 2HD LYS 35 24.172 -6.974 -5.618 282 HD3 LYS 35 3HD LYS 35 24.727 -5.749 -6.761 283 HE2 LYS 35 2HE LYS 35 26.890 -6.262 -6.441 284 HE3 LYS 35 3HE LYS 35 26.687 -6.449 -4.700 285 HZ1 LYS 35 3HZ LYS 35 27.166 -8.579 -5.355 286 HZ2 LYS 35 1HZ LYS 35 26.351 -8.444 -6.831 287 HZ3 LYS 35 2HZ LYS 35 25.476 -8.617 -5.394 288 H CYS 36 H CYS 36 22.158 -4.176 -2.428 289 HA CYS 36 HA CYS 36 22.761 -2.304 -0.472 290 HB2 CYS 36 2HB CYS 36 22.708 -5.302 -0.083 291 HB3 CYS 36 3HB CYS 36 22.420 -4.073 1.144 292 H THR 37 H THR 37 24.468 -1.958 0.904 293 HA THR 37 HA THR 37 26.836 -3.628 0.745 294 HB THR 37 HB THR 37 28.234 -1.456 0.392 295 HG1 THR 37 HG1 THR 37 26.034 -0.287 0.312 296 HG21 THR 37 3HG2 THR 37 26.951 -2.217 -2.159 297 HG22 THR 37 1HG2 THR 37 27.629 -3.536 -1.206 298 HG23 THR 37 2HG2 THR 37 28.656 -2.193 -1.711 299 H LYS 38 H LYS 38 24.764 -2.516 2.691 300 HA LYS 38 HA LYS 38 26.691 -1.874 4.787 301 HB2 LYS 38 2HB LYS 38 25.283 0.158 3.600 302 HB3 LYS 38 3HB LYS 38 24.248 -0.253 4.961 303 HG2 LYS 38 2HG LYS 38 27.119 0.029 5.563 304 HG3 LYS 38 3HG LYS 38 26.269 1.504 5.099 305 HD2 LYS 38 2HD LYS 38 25.152 1.595 7.039 306 HD3 LYS 38 3HD LYS 38 24.786 -0.132 7.008 307 HE2 LYS 38 2HE LYS 38 26.865 -0.685 7.986 308 HE3 LYS 38 3HE LYS 38 27.509 0.933 7.714 309 HZ1 LYS 38 3HZ LYS 38 25.857 -0.052 9.865 310 HZ2 LYS 38 1HZ LYS 38 25.348 1.432 9.232 311 HZ3 LYS 38 2HZ LYS 38 26.921 1.263 9.831 312 H ASP 39 H ASP 39 25.639 -1.931 6.978 313 HA ASP 39 HA ASP 39 23.725 -4.150 7.037 314 HB2 ASP 39 2HB ASP 39 24.406 -4.185 9.516 315 HB3 ASP 39 3HB ASP 39 25.610 -4.692 8.334 316 H ASN 40 H ASN 40 21.660 -3.736 7.413 317 HA ASN 40 HA ASN 40 19.744 -2.773 8.171 318 HB2 ASN 40 2HB ASN 40 21.402 -1.271 10.193 319 HB3 ASN 40 3HB ASN 40 19.721 -1.781 10.326 320 HD21 ASN 40 2HD2 ASN 40 20.434 -4.971 11.501 321 HD22 ASN 40 1HD2 ASN 40 19.245 -3.866 10.910 322 H ASN 41 H ASN 41 20.888 -1.603 5.977 323 HA ASN 41 HA ASN 41 20.979 1.267 6.362 324 HB2 ASN 41 2HB ASN 41 21.246 1.246 3.823 325 HB3 ASN 41 3HB ASN 41 22.524 0.470 4.754 326 HD21 ASN 41 2HD2 ASN 41 22.248 -2.243 2.626 327 HD22 ASN 41 1HD2 ASN 41 23.216 -0.964 3.268 328 H LYS 42 H LYS 42 19.766 2.378 4.274 329 HA LYS 42 HA LYS 42 16.940 1.868 4.818 330 HB2 LYS 42 2HB LYS 42 18.059 4.185 4.955 331 HB3 LYS 42 3HB LYS 42 18.035 4.154 3.196 332 HG2 LYS 42 2HG LYS 42 15.930 4.827 3.179 333 HG3 LYS 42 3HG LYS 42 15.448 3.451 4.175 334 HD2 LYS 42 2HD LYS 42 15.496 4.658 6.105 335 HD3 LYS 42 3HD LYS 42 16.801 5.706 5.545 336 HE2 LYS 42 2HE LYS 42 15.234 6.887 4.092 337 HE3 LYS 42 3HE LYS 42 13.930 5.825 4.622 338 HZ1 LYS 42 3HZ LYS 42 13.647 7.002 6.474 339 HZ2 LYS 42 1HZ LYS 42 14.595 8.202 5.751 340 HZ3 LYS 42 2HZ LYS 42 15.305 7.083 6.801 341 H CYS 43 H CYS 43 15.968 0.474 3.504 342 HA CYS 43 HA CYS 43 16.240 0.835 0.621 343 HB2 CYS 43 2HB CYS 43 16.731 -1.437 0.148 344 HB3 CYS 43 3HB CYS 43 17.863 -0.956 1.407 345 H THR 44 H THR 44 14.421 0.296 -0.540 346 HA THR 44 HA THR 44 12.108 -0.637 1.033 347 HB THR 44 HB THR 44 10.761 0.732 -0.713 348 HG1 THR 44 HG1 THR 44 11.958 2.570 -1.455 349 HG21 THR 44 3HG2 THR 44 11.915 2.811 0.862 350 HG22 THR 44 1HG2 THR 44 11.838 1.343 1.836 351 HG23 THR 44 2HG2 THR 44 10.375 1.983 1.088 352 H VAL 45 H VAL 45 11.106 -2.390 0.284 353 HA VAL 45 HA VAL 45 11.950 -3.507 -2.269 354 HB VAL 45 HB VAL 45 10.203 -4.685 -0.103 355 HG11 VAL 45 1HG1 VAL 45 9.534 -5.983 -1.829 356 HG12 VAL 45 2HG1 VAL 45 10.955 -5.608 -2.805 357 HG13 VAL 45 3HG1 VAL 45 11.062 -6.803 -1.512 358 HG21 VAL 45 3HG2 VAL 45 12.772 -5.943 -0.617 359 HG22 VAL 45 1HG2 VAL 45 12.931 -4.269 -0.088 360 HG23 VAL 45 2HG2 VAL 45 12.051 -5.428 0.907 361 H ASP 46 H ASP 46 10.595 -3.960 -3.975 362 HA ASP 46 HA ASP 46 7.927 -2.714 -3.847 363 HB2 ASP 46 2HB ASP 46 10.078 -2.283 -5.650 364 HB3 ASP 46 3HB ASP 46 8.793 -3.084 -6.549 365 H THR 47 H THR 47 6.266 -4.056 -3.982 366 HA THR 47 HA THR 47 6.703 -6.803 -4.850 367 HB THR 47 HB THR 47 5.486 -6.446 -2.752 368 HG1 THR 47 HG1 THR 47 4.038 -8.004 -3.194 369 HG21 THR 47 3HG2 THR 47 3.033 -5.499 -4.074 370 HG22 THR 47 1HG2 THR 47 4.331 -4.311 -3.966 371 HG23 THR 47 2HG2 THR 47 3.711 -5.074 -2.502 372 H TYR 48 H TYR 48 6.883 -5.033 -6.955 373 HA TYR 48 HA TYR 48 4.373 -5.524 -8.420 374 HB2 TYR 48 2HB TYR 48 5.200 -3.078 -7.918 375 HB3 TYR 48 3HB TYR 48 6.292 -3.386 -9.263 376 HD1 TYR 48 HD1 TYR 48 2.684 -3.445 -8.340 377 HD2 TYR 48 HD2 TYR 48 5.558 -3.085 -11.457 378 HE1 TYR 48 HE1 TYR 48 0.890 -2.866 -9.919 379 HE2 TYR 48 HE2 TYR 48 3.771 -2.504 -13.045 380 HH TYR 48 HH TYR 48 0.395 -2.718 -12.170 381 H ASN 49 H ASN 49 7.864 -5.653 -8.456 382 HA ASN 49 HA ASN 49 7.855 -7.693 -10.456 383 HB2 ASN 49 2HB ASN 49 9.463 -6.310 -11.958 384 HB3 ASN 49 3HB ASN 49 7.728 -6.045 -12.104 385 HD21 ASN 49 2HD2 ASN 49 10.137 -3.171 -10.494 386 HD22 ASN 49 1HD2 ASN 49 10.658 -4.816 -10.586 387 H ASN 50 H ASN 50 8.813 -7.184 -7.731 388 HA ASN 50 HA ASN 50 10.630 -7.559 -6.410 389 HB2 ASN 50 2HB ASN 50 11.419 -9.098 -8.887 390 HB3 ASN 50 3HB ASN 50 12.336 -9.157 -7.385 391 HD21 ASN 50 2HD2 ASN 50 10.342 -11.590 -5.998 392 HD22 ASN 50 1HD2 ASN 50 11.843 -10.737 -6.056 393 H ALA 51 H ALA 51 11.238 -5.345 -6.358 394 HA ALA 51 HA ALA 51 13.882 -4.887 -7.455 395 HB1 ALA 51 1HB ALA 51 13.053 -2.547 -8.235 396 HB2 ALA 51 2HB ALA 51 12.833 -3.949 -9.284 397 HB3 ALA 51 3HB ALA 51 11.480 -3.340 -8.329 398 H VAL 52 H VAL 52 14.774 -4.654 -5.465 399 HA VAL 52 HA VAL 52 13.527 -2.928 -3.486 400 HB VAL 52 HB VAL 52 14.693 -5.145 -2.954 401 HG11 VAL 52 1HG1 VAL 52 16.714 -4.662 -4.306 402 HG12 VAL 52 2HG1 VAL 52 17.152 -3.410 -3.142 403 HG13 VAL 52 3HG1 VAL 52 17.079 -5.099 -2.637 404 HG21 VAL 52 3HG2 VAL 52 14.042 -3.204 -1.373 405 HG22 VAL 52 1HG2 VAL 52 15.152 -4.444 -0.788 406 HG23 VAL 52 2HG2 VAL 52 15.774 -2.881 -1.318 407 H ASP 53 H ASP 53 14.484 -1.074 -2.615 408 HA ASP 53 HA ASP 53 16.316 0.286 -4.449 409 HB2 ASP 53 2HB ASP 53 14.329 1.209 -2.407 410 HB3 ASP 53 3HB ASP 53 15.651 2.277 -2.870 411 H CYS 54 H CYS 54 17.707 -1.547 -3.146 412 HA CYS 54 HA CYS 54 18.692 -1.026 -0.612 413 HB2 CYS 54 2HB CYS 54 19.739 -2.428 -3.018 414 HB3 CYS 54 3HB CYS 54 20.892 -2.046 -1.743 415 H ASP 55 H ASP 55 20.211 0.301 0.247 416 HA ASP 55 HA ASP 55 20.741 2.771 -0.863 417 HB2 ASP 55 2HB ASP 55 21.250 1.572 1.552 418 HB3 ASP 55 3HB ASP 55 22.873 1.804 0.909 Start of MODEL 4 1 H1 ALA 1 H ALA 1 2.193 2.461 -3.880 2 HA ALA 1 HA ALA 1 1.813 0.306 -1.907 3 HB1 ALA 1 1HB ALA 1 0.464 -0.200 -3.853 4 HB2 ALA 1 2HB ALA 1 1.861 0.016 -4.908 5 HB3 ALA 1 3HB ALA 1 1.825 -1.318 -3.755 6 H LYS 2 H LYS 2 3.715 0.083 -0.920 7 HA LYS 2 HA LYS 2 5.994 -0.864 -2.255 8 HB2 LYS 2 2HB LYS 2 5.768 1.882 -2.512 9 HB3 LYS 2 3HB LYS 2 6.861 1.696 -1.147 10 HG2 LYS 2 2HG LYS 2 7.884 -0.099 -2.925 11 HG3 LYS 2 3HG LYS 2 7.296 1.181 -3.989 12 HD2 LYS 2 2HD LYS 2 9.107 1.604 -1.612 13 HD3 LYS 2 3HD LYS 2 9.648 1.505 -3.290 14 HE2 LYS 2 2HE LYS 2 7.608 3.388 -3.330 15 HE3 LYS 2 3HE LYS 2 8.486 3.731 -1.841 16 HZ1 LYS 2 3HZ LYS 2 9.194 4.584 -4.309 17 HZ2 LYS 2 1HZ LYS 2 10.202 3.243 -4.093 18 HZ3 LYS 2 2HZ LYS 2 10.226 4.508 -2.971 19 H TYR 3 H TYR 3 7.599 -1.560 -0.830 20 HA TYR 3 HA TYR 3 6.861 -1.358 2.012 21 HB2 TYR 3 2HB TYR 3 8.416 -3.508 0.561 22 HB3 TYR 3 3HB TYR 3 8.113 -3.483 2.294 23 HD1 TYR 3 HD1 TYR 3 5.526 -3.215 2.916 24 HD2 TYR 3 HD2 TYR 3 7.015 -4.789 -0.746 25 HE1 TYR 3 HE1 TYR 3 3.397 -4.396 2.565 26 HE2 TYR 3 HE2 TYR 3 4.891 -5.974 -1.108 27 HH TYR 3 HH TYR 3 2.198 -5.659 1.185 28 H THR 4 H THR 4 8.461 -1.015 3.571 29 HA THR 4 HA THR 4 11.060 -0.086 2.539 30 HB THR 4 HB THR 4 9.686 1.178 4.904 31 HG1 THR 4 HG1 THR 4 8.745 2.607 3.567 32 HG21 THR 4 3HG2 THR 4 11.494 2.492 5.031 33 HG22 THR 4 1HG2 THR 4 11.498 2.785 3.292 34 HG23 THR 4 2HG2 THR 4 12.277 1.343 3.946 35 H GLY 5 H GLY 5 12.800 -0.936 3.502 36 HA2 GLY 5 2HA GLY 5 12.708 -1.816 6.260 37 HA3 GLY 5 3HA GLY 5 12.867 -3.114 5.086 38 H LYS 6 H LYS 6 14.909 -3.635 6.005 39 HA LYS 6 HA LYS 6 17.064 -1.991 4.910 40 HB2 LYS 6 2HB LYS 6 17.282 -3.073 7.709 41 HB3 LYS 6 3HB LYS 6 18.296 -1.874 6.917 42 HG2 LYS 6 2HG LYS 6 17.073 -0.496 8.235 43 HG3 LYS 6 3HG LYS 6 16.009 -0.541 6.828 44 HD2 LYS 6 2HD LYS 6 15.073 -2.675 8.151 45 HD3 LYS 6 3HD LYS 6 15.661 -1.726 9.519 46 HE2 LYS 6 2HE LYS 6 14.125 -0.210 7.526 47 HE3 LYS 6 3HE LYS 6 13.209 -1.451 8.379 48 HZ1 LYS 6 3HZ LYS 6 13.956 -0.472 10.479 49 HZ2 LYS 6 1HZ LYS 6 13.077 0.635 9.549 50 HZ3 LYS 6 2HZ LYS 6 14.762 0.749 9.630 51 H CYS 7 H CYS 7 19.000 -3.128 4.506 52 HA CYS 7 HA CYS 7 18.642 -6.046 4.420 53 HB2 CYS 7 2HB CYS 7 20.832 -4.870 2.841 54 HB3 CYS 7 3HB CYS 7 19.630 -6.072 2.383 55 H THR 8 H THR 8 21.214 -6.863 4.003 56 HA THR 8 HA THR 8 22.768 -5.867 6.282 57 HB THR 8 HB THR 8 22.888 -8.783 6.005 58 HG1 THR 8 HG1 THR 8 20.839 -9.204 6.318 59 HG21 THR 8 3HG2 THR 8 22.877 -6.717 8.132 60 HG22 THR 8 1HG2 THR 8 23.937 -8.108 7.911 61 HG23 THR 8 2HG2 THR 8 22.319 -8.329 8.577 62 H LYS 9 H LYS 9 24.807 -5.508 5.719 63 HA LYS 9 HA LYS 9 25.824 -6.016 3.164 64 HB2 LYS 9 2HB LYS 9 28.021 -5.376 4.131 65 HB3 LYS 9 3HB LYS 9 26.735 -4.243 4.525 66 HG2 LYS 9 2HG LYS 9 27.132 -4.490 6.685 67 HG3 LYS 9 3HG LYS 9 26.882 -6.233 6.566 68 HD2 LYS 9 2HD LYS 9 29.264 -6.377 5.711 69 HD3 LYS 9 3HD LYS 9 29.445 -4.693 6.211 70 HE2 LYS 9 2HE LYS 9 29.071 -5.233 8.484 71 HE3 LYS 9 3HE LYS 9 28.497 -6.850 8.081 72 HZ1 LYS 9 3HZ LYS 9 30.952 -6.904 7.043 73 HZ2 LYS 9 1HZ LYS 9 30.588 -7.415 8.614 74 HZ3 LYS 9 2HZ LYS 9 31.208 -5.864 8.351 75 H SER 10 H SER 10 25.560 -8.061 5.883 76 HA SER 10 HA SER 10 27.717 -9.755 5.719 77 HB2 SER 10 2HB SER 10 24.833 -10.225 6.418 78 HB3 SER 10 3HB SER 10 25.970 -11.573 6.386 79 HG SER 10 HG SER 10 27.193 -10.544 7.952 80 H LYS 11 H LYS 11 24.598 -10.724 4.318 81 HA LYS 11 HA LYS 11 26.070 -11.803 2.004 82 HB2 LYS 11 2HB LYS 11 24.071 -13.056 3.790 83 HB3 LYS 11 3HB LYS 11 23.868 -13.373 2.072 84 HG2 LYS 11 2HG LYS 11 26.621 -13.692 2.926 85 HG3 LYS 11 3HG LYS 11 25.511 -14.742 3.812 86 HD2 LYS 11 2HD LYS 11 24.617 -15.583 1.696 87 HD3 LYS 11 3HD LYS 11 25.715 -14.524 0.807 88 HE2 LYS 11 2HE LYS 11 27.474 -15.884 1.126 89 HE3 LYS 11 3HE LYS 11 27.024 -16.235 2.794 90 HZ1 LYS 11 3HZ LYS 11 26.695 -18.258 1.823 91 HZ2 LYS 11 1HZ LYS 11 26.237 -17.611 0.328 92 HZ3 LYS 11 2HZ LYS 11 25.149 -17.601 1.624 93 H ASN 12 H ASN 12 24.280 -9.322 2.749 94 HA ASN 12 HA ASN 12 22.894 -7.914 1.623 95 HB2 ASN 12 2HB ASN 12 24.084 -7.840 -0.326 96 HB3 ASN 12 3HB ASN 12 24.076 -9.590 -0.523 97 HD21 ASN 12 2HD2 ASN 12 21.038 -7.318 -2.025 98 HD22 ASN 12 1HD2 ASN 12 22.079 -6.703 -0.790 99 H GLU 13 H GLU 13 20.873 -8.080 2.364 100 HA GLU 13 HA GLU 13 18.927 -9.568 0.911 101 HB2 GLU 13 2HB GLU 13 20.183 -10.928 3.055 102 HB3 GLU 13 3HB GLU 13 18.563 -10.509 3.594 103 HG2 GLU 13 2HG GLU 13 17.632 -11.586 1.599 104 HG3 GLU 13 3HG GLU 13 19.260 -12.033 1.094 105 H CYS 14 H CYS 14 17.777 -7.696 0.727 106 HA CYS 14 HA CYS 14 17.273 -5.911 2.871 107 HB2 CYS 14 2HB CYS 14 17.157 -5.424 0.363 108 HB3 CYS 14 3HB CYS 14 15.568 -6.183 0.398 109 H LYS 15 H LYS 15 16.142 -6.456 4.613 110 HA LYS 15 HA LYS 15 14.056 -8.451 4.502 111 HB2 LYS 15 2HB LYS 15 15.538 -8.406 6.427 112 HB3 LYS 15 3HB LYS 15 15.084 -6.743 6.776 113 HG2 LYS 15 2HG LYS 15 12.875 -8.693 6.662 114 HG3 LYS 15 3HG LYS 15 14.009 -8.868 8.003 115 HD2 LYS 15 2HD LYS 15 12.637 -6.283 7.276 116 HD3 LYS 15 3HD LYS 15 12.039 -7.410 8.495 117 HE2 LYS 15 2HE LYS 15 14.537 -7.149 9.379 118 HE3 LYS 15 3HE LYS 15 14.384 -5.594 8.562 119 HZ1 LYS 15 3HZ LYS 15 12.753 -6.646 10.796 120 HZ2 LYS 15 1HZ LYS 15 12.257 -5.324 9.863 121 HZ3 LYS 15 2HZ LYS 15 13.689 -5.238 10.758 122 H TYR 16 H TYR 16 11.971 -8.064 4.172 123 HA TYR 16 HA TYR 16 10.806 -5.522 4.997 124 HB2 TYR 16 2HB TYR 16 9.885 -4.981 2.880 125 HB3 TYR 16 3HB TYR 16 11.581 -5.344 2.582 126 HD1 TYR 16 HD1 TYR 16 8.401 -5.805 1.329 127 HD2 TYR 16 HD2 TYR 16 11.960 -8.001 2.115 128 HE1 TYR 16 HE1 TYR 16 7.742 -7.467 -0.360 129 HE2 TYR 16 HE2 TYR 16 11.311 -9.668 0.428 130 HH TYR 16 HH TYR 16 8.612 -9.171 -1.704 131 H LYS 17 H LYS 17 8.316 -5.756 3.938 132 HA LYS 17 HA LYS 17 7.346 -8.279 5.111 133 HB2 LYS 17 2HB LYS 17 5.184 -6.933 5.422 134 HB3 LYS 17 3HB LYS 17 6.535 -6.557 6.483 135 HG2 LYS 17 2HG LYS 17 6.541 -4.960 4.055 136 HG3 LYS 17 3HG LYS 17 5.072 -4.754 5.013 137 HD2 LYS 17 2HD LYS 17 7.627 -4.743 6.502 138 HD3 LYS 17 3HD LYS 17 7.327 -3.360 5.446 139 HE2 LYS 17 2HE LYS 17 5.175 -2.989 6.553 140 HE3 LYS 17 3HE LYS 17 5.477 -4.370 7.605 141 HZ1 LYS 17 3HZ LYS 17 6.103 -2.530 8.859 142 HZ2 LYS 17 1HZ LYS 17 6.861 -1.761 7.556 143 HZ3 LYS 17 2HZ LYS 17 7.576 -3.118 8.269 144 H ASN 18 H ASN 18 6.573 -9.672 3.680 145 HA ASN 18 HA ASN 18 5.535 -8.658 1.126 146 HB2 ASN 18 2HB ASN 18 6.233 -10.609 0.114 147 HB3 ASN 18 3HB ASN 18 7.437 -10.471 1.392 148 HD21 ASN 18 2HD2 ASN 18 6.042 -13.118 3.342 149 HD22 ASN 18 1HD2 ASN 18 6.759 -11.553 3.490 150 H ASP 19 H ASP 19 4.736 -10.633 3.910 151 HA ASP 19 HA ASP 19 2.038 -11.073 2.831 152 HB2 ASP 19 2HB ASP 19 3.753 -12.851 4.027 153 HB3 ASP 19 3HB ASP 19 2.716 -12.381 5.371 154 H ALA 20 H ALA 20 2.889 -8.515 3.863 155 HA ALA 20 HA ALA 20 1.940 -6.830 5.078 156 HB1 ALA 20 1HB ALA 20 -0.168 -8.250 4.669 157 HB2 ALA 20 2HB ALA 20 0.036 -8.766 6.344 158 HB3 ALA 20 3HB ALA 20 -0.196 -7.059 5.970 159 H GLY 21 H GLY 21 4.147 -8.449 6.038 160 HA2 GLY 21 2HA GLY 21 4.941 -7.432 8.320 161 HA3 GLY 21 3HA GLY 21 3.717 -8.533 8.935 162 H LYS 22 H LYS 22 4.456 -10.391 6.626 163 HA LYS 22 HA LYS 22 6.109 -12.126 8.054 164 HB2 LYS 22 2HB LYS 22 5.112 -11.959 5.267 165 HB3 LYS 22 3HB LYS 22 6.517 -12.983 5.533 166 HG2 LYS 22 2HG LYS 22 3.984 -13.228 7.132 167 HG3 LYS 22 3HG LYS 22 4.284 -14.128 5.643 168 HD2 LYS 22 2HD LYS 22 5.784 -15.508 6.625 169 HD3 LYS 22 3HD LYS 22 6.423 -14.239 7.673 170 HE2 LYS 22 2HE LYS 22 5.353 -15.377 9.292 171 HE3 LYS 22 3HE LYS 22 3.932 -14.525 8.689 172 HZ1 LYS 22 3HZ LYS 22 4.111 -17.185 8.920 173 HZ2 LYS 22 1HZ LYS 22 4.559 -16.984 7.301 174 HZ3 LYS 22 2HZ LYS 22 3.070 -16.397 7.845 175 H ASP 23 H ASP 23 8.153 -11.809 8.619 176 HA ASP 23 HA ASP 23 9.875 -9.928 7.427 177 HB2 ASP 23 2HB ASP 23 11.652 -11.032 8.794 178 HB3 ASP 23 3HB ASP 23 10.219 -10.592 9.719 179 H THR 24 H THR 24 10.079 -10.256 5.234 180 HA THR 24 HA THR 24 11.407 -12.755 4.410 181 HB THR 24 HB THR 24 9.695 -10.892 2.754 182 HG1 THR 24 HG1 THR 24 8.501 -13.025 2.622 183 HG21 THR 24 3HG2 THR 24 9.978 -12.540 0.959 184 HG22 THR 24 1HG2 THR 24 11.093 -13.454 1.973 185 HG23 THR 24 2HG2 THR 24 11.523 -11.832 1.429 186 H PHE 25 H PHE 25 13.326 -12.657 3.368 187 HA PHE 25 HA PHE 25 14.542 -10.002 3.096 188 HB2 PHE 25 2HB PHE 25 16.052 -12.592 2.902 189 HB3 PHE 25 3HB PHE 25 16.638 -11.006 3.393 190 HD1 PHE 25 HD1 PHE 25 14.723 -10.201 5.424 191 HD2 PHE 25 HD2 PHE 25 16.451 -14.017 4.671 192 HE1 PHE 25 HE1 PHE 25 14.398 -10.810 7.786 193 HE2 PHE 25 HE2 PHE 25 16.128 -14.633 7.031 194 HZ PHE 25 HZ PHE 25 15.099 -13.029 8.592 195 H ILE 26 H ILE 26 15.082 -9.181 1.171 196 HA ILE 26 HA ILE 26 15.186 -10.965 -1.158 197 HB ILE 26 HB ILE 26 12.975 -10.020 -1.245 198 HG12 ILE 26 2HG1 ILE 26 13.082 -8.837 -3.395 199 HG13 ILE 26 3HG1 ILE 26 14.803 -8.552 -3.160 200 HG21 ILE 26 1HG2 ILE 26 12.489 -7.697 -1.129 201 HG22 ILE 26 2HG2 ILE 26 13.528 -8.074 0.244 202 HG23 ILE 26 3HG2 ILE 26 14.200 -7.272 -1.175 203 HD11 ILE 26 3HD1 ILE 26 15.368 -10.681 -3.690 204 HD12 ILE 26 1HD1 ILE 26 13.859 -11.356 -3.078 205 HD13 ILE 26 2HD1 ILE 26 13.890 -10.538 -4.641 206 H LYS 27 H LYS 27 17.084 -10.730 -2.115 207 HA LYS 27 HA LYS 27 18.943 -8.727 -1.525 208 HB2 LYS 27 2HB LYS 27 18.815 -10.435 -4.017 209 HB3 LYS 27 3HB LYS 27 20.234 -9.594 -3.407 210 HG2 LYS 27 2HG LYS 27 19.949 -11.000 -1.298 211 HG3 LYS 27 3HG LYS 27 18.837 -11.983 -2.254 212 HD2 LYS 27 2HD LYS 27 21.034 -11.710 -3.903 213 HD3 LYS 27 3HD LYS 27 21.747 -11.874 -2.296 214 HE2 LYS 27 2HE LYS 27 19.808 -13.800 -2.263 215 HE3 LYS 27 3HE LYS 27 20.332 -13.839 -3.946 216 HZ1 LYS 27 3HZ LYS 27 21.888 -15.211 -3.113 217 HZ2 LYS 27 1HZ LYS 27 21.767 -14.601 -1.540 218 HZ3 LYS 27 2HZ LYS 27 22.679 -13.774 -2.699 219 H CYS 28 H CYS 28 20.001 -7.663 -3.737 220 HA CYS 28 HA CYS 28 17.860 -5.910 -4.739 221 HB2 CYS 28 2HB CYS 28 19.735 -4.917 -3.330 222 HB3 CYS 28 3HB CYS 28 20.806 -5.262 -4.684 223 HA PRO 29 HA PRO 29 19.206 -8.309 -8.434 224 HB2 PRO 29 2HB PRO 29 16.726 -8.408 -9.535 225 HB3 PRO 29 3HB PRO 29 17.290 -9.572 -8.330 226 HG2 PRO 29 2HG PRO 29 15.560 -7.155 -7.967 227 HG3 PRO 29 3HG PRO 29 15.384 -8.774 -7.263 228 HD2 PRO 29 2HD PRO 29 16.433 -6.693 -5.885 229 HD3 PRO 29 3HD PRO 29 16.954 -8.370 -5.625 230 H LYS 30 H LYS 30 17.582 -5.303 -7.909 231 HA LYS 30 HA LYS 30 17.205 -4.336 -10.472 232 HB2 LYS 30 2HB LYS 30 17.157 -3.285 -7.869 233 HB3 LYS 30 3HB LYS 30 18.277 -2.266 -8.765 234 HG2 LYS 30 2HG LYS 30 16.595 -1.775 -10.411 235 HG3 LYS 30 3HG LYS 30 15.475 -2.913 -9.658 236 HD2 LYS 30 2HD LYS 30 14.938 -1.483 -7.988 237 HD3 LYS 30 3HD LYS 30 16.567 -0.810 -7.896 238 HE2 LYS 30 2HE LYS 30 15.231 0.948 -8.690 239 HE3 LYS 30 3HE LYS 30 16.047 0.318 -10.120 240 HZ1 LYS 30 3HZ LYS 30 14.124 -0.358 -11.014 241 HZ2 LYS 30 1HZ LYS 30 13.404 0.729 -9.936 242 HZ3 LYS 30 2HZ LYS 30 13.497 -0.913 -9.545 243 H PHE 31 H PHE 31 20.051 -3.622 -8.437 244 HA PHE 31 HA PHE 31 21.631 -3.393 -10.914 245 HB2 PHE 31 2HB PHE 31 22.736 -2.104 -8.518 246 HB3 PHE 31 3HB PHE 31 22.594 -1.493 -10.163 247 HD1 PHE 31 HD1 PHE 31 20.800 -0.089 -10.805 248 HD2 PHE 31 HD2 PHE 31 20.819 -1.923 -6.964 249 HE1 PHE 31 HE1 PHE 31 18.940 1.363 -10.106 250 HE2 PHE 31 HE2 PHE 31 18.959 -0.475 -6.259 251 HZ PHE 31 HZ PHE 31 18.016 1.170 -7.831 252 H ASP 32 H ASP 32 23.615 -4.383 -11.022 253 HA ASP 32 HA ASP 32 24.104 -6.424 -8.986 254 HB2 ASP 32 2HB ASP 32 25.690 -6.244 -11.514 255 HB3 ASP 32 3HB ASP 32 25.189 -7.668 -10.607 256 H ASN 33 H ASN 33 24.982 -3.344 -9.392 257 HA ASN 33 HA ASN 33 27.586 -3.784 -8.111 258 HB2 ASN 33 2HB ASN 33 27.214 -2.703 -10.707 259 HB3 ASN 33 3HB ASN 33 27.690 -1.372 -9.656 260 HD21 ASN 33 2HD2 ASN 33 30.268 -4.545 -9.819 261 HD22 ASN 33 1HD2 ASN 33 28.565 -4.805 -9.687 262 H LYS 34 H LYS 34 24.690 -2.859 -7.468 263 HA LYS 34 HA LYS 34 25.540 -0.640 -5.750 264 HB2 LYS 34 2HB LYS 34 22.892 -0.616 -7.193 265 HB3 LYS 34 3HB LYS 34 23.619 0.681 -6.254 266 HG2 LYS 34 2HG LYS 34 24.736 -0.391 -8.836 267 HG3 LYS 34 3HG LYS 34 23.719 1.045 -8.695 268 HD2 LYS 34 2HD LYS 34 26.014 1.035 -6.880 269 HD3 LYS 34 3HD LYS 34 26.456 1.021 -8.589 270 HE2 LYS 34 2HE LYS 34 25.310 3.031 -9.008 271 HE3 LYS 34 3HE LYS 34 24.427 2.942 -7.485 272 HZ1 LYS 34 3HZ LYS 34 27.284 3.593 -7.898 273 HZ2 LYS 34 1HZ LYS 34 26.667 3.167 -6.381 274 HZ3 LYS 34 2HZ LYS 34 26.089 4.545 -7.173 275 H LYS 35 H LYS 35 24.551 -3.647 -5.766 276 HA LYS 35 HA LYS 35 22.225 -3.904 -4.312 277 HB2 LYS 35 2HB LYS 35 23.322 -5.987 -3.345 278 HB3 LYS 35 3HB LYS 35 23.246 -5.883 -5.099 279 HG2 LYS 35 2HG LYS 35 25.395 -6.689 -4.572 280 HG3 LYS 35 3HG LYS 35 25.604 -4.998 -5.035 281 HD2 LYS 35 2HD LYS 35 26.068 -4.327 -2.878 282 HD3 LYS 35 3HD LYS 35 25.202 -5.686 -2.157 283 HE2 LYS 35 2HE LYS 35 27.428 -6.221 -1.773 284 HE3 LYS 35 3HE LYS 35 27.049 -7.135 -3.232 285 HZ1 LYS 35 3HZ LYS 35 28.015 -4.490 -3.782 286 HZ2 LYS 35 1HZ LYS 35 28.522 -5.978 -4.409 287 HZ3 LYS 35 2HZ LYS 35 29.137 -5.429 -2.932 288 H CYS 36 H CYS 36 21.996 -4.508 -1.987 289 HA CYS 36 HA CYS 36 22.791 -2.405 -0.325 290 HB2 CYS 36 2HB CYS 36 21.524 -5.072 0.115 291 HB3 CYS 36 3HB CYS 36 22.130 -4.195 1.516 292 H THR 37 H THR 37 24.720 -1.965 0.486 293 HA THR 37 HA THR 37 26.497 -4.206 1.201 294 HB THR 37 HB THR 37 28.387 -2.517 0.717 295 HG1 THR 37 HG1 THR 37 27.790 -0.683 -0.136 296 HG21 THR 37 3HG2 THR 37 27.139 -4.473 -0.829 297 HG22 THR 37 1HG2 THR 37 28.741 -3.785 -1.087 298 HG23 THR 37 2HG2 THR 37 27.343 -3.101 -1.917 299 H LYS 38 H LYS 38 24.665 -2.978 2.969 300 HA LYS 38 HA LYS 38 26.520 -2.075 5.005 301 HB2 LYS 38 2HB LYS 38 24.913 -0.216 3.548 302 HB3 LYS 38 3HB LYS 38 24.309 -0.298 5.197 303 HG2 LYS 38 2HG LYS 38 27.237 -0.066 4.853 304 HG3 LYS 38 3HG LYS 38 26.261 1.348 4.450 305 HD2 LYS 38 2HD LYS 38 25.682 -0.048 7.007 306 HD3 LYS 38 3HD LYS 38 27.165 0.905 6.910 307 HE2 LYS 38 2HE LYS 38 24.670 2.153 5.903 308 HE3 LYS 38 3HE LYS 38 24.826 1.951 7.648 309 HZ1 LYS 38 3HZ LYS 38 26.459 3.479 7.769 310 HZ2 LYS 38 1HZ LYS 38 25.760 4.057 6.341 311 HZ3 LYS 38 2HZ LYS 38 27.131 3.069 6.272 312 H ASP 39 H ASP 39 25.598 -2.106 7.148 313 HA ASP 39 HA ASP 39 23.513 -4.125 7.379 314 HB2 ASP 39 2HB ASP 39 25.436 -2.906 9.359 315 HB3 ASP 39 3HB ASP 39 24.142 -3.998 9.845 316 H ASN 40 H ASN 40 21.463 -3.649 7.782 317 HA ASN 40 HA ASN 40 19.577 -2.541 8.404 318 HB2 ASN 40 2HB ASN 40 21.265 -0.811 10.202 319 HB3 ASN 40 3HB ASN 40 19.588 -1.307 10.418 320 HD21 ASN 40 2HD2 ASN 40 22.466 -3.386 12.130 321 HD22 ASN 40 1HD2 ASN 40 22.613 -1.780 11.510 322 H ASN 41 H ASN 41 20.906 -1.666 6.099 323 HA ASN 41 HA ASN 41 21.048 1.205 6.089 324 HB2 ASN 41 2HB ASN 41 21.440 0.969 3.681 325 HB3 ASN 41 3HB ASN 41 22.460 -0.142 4.591 326 HD21 ASN 41 2HD2 ASN 41 21.197 -3.001 3.117 327 HD22 ASN 41 1HD2 ASN 41 22.304 -2.275 4.228 328 H LYS 42 H LYS 42 19.824 1.979 3.787 329 HA LYS 42 HA LYS 42 16.980 1.626 4.450 330 HB2 LYS 42 2HB LYS 42 18.151 3.936 4.528 331 HB3 LYS 42 3HB LYS 42 18.075 3.865 2.772 332 HG2 LYS 42 2HG LYS 42 15.523 3.234 3.977 333 HG3 LYS 42 3HG LYS 42 16.119 4.817 4.481 334 HD2 LYS 42 2HD LYS 42 16.632 5.075 1.913 335 HD3 LYS 42 3HD LYS 42 15.387 3.833 1.763 336 HE2 LYS 42 2HE LYS 42 14.257 5.894 1.587 337 HE3 LYS 42 3HE LYS 42 13.935 5.314 3.220 338 HZ1 LYS 42 3HZ LYS 42 14.640 7.304 3.878 339 HZ2 LYS 42 1HZ LYS 42 15.296 7.683 2.366 340 HZ3 LYS 42 2HZ LYS 42 16.204 6.795 3.483 341 H CYS 43 H CYS 43 16.037 0.182 3.164 342 HA CYS 43 HA CYS 43 16.309 0.497 0.275 343 HB2 CYS 43 2HB CYS 43 16.589 -1.943 -0.043 344 HB3 CYS 43 3HB CYS 43 17.953 -1.214 0.798 345 H THR 44 H THR 44 14.379 0.459 -0.665 346 HA THR 44 HA THR 44 12.114 -0.651 0.848 347 HB THR 44 HB THR 44 10.783 0.743 -0.910 348 HG1 THR 44 HG1 THR 44 12.173 1.632 -2.268 349 HG21 THR 44 3HG2 THR 44 12.092 1.491 1.598 350 HG22 THR 44 1HG2 THR 44 10.415 1.692 1.093 351 HG23 THR 44 2HG2 THR 44 11.632 2.868 0.597 352 H VAL 45 H VAL 45 10.987 -2.328 0.076 353 HA VAL 45 HA VAL 45 11.779 -3.435 -2.515 354 HB VAL 45 HB VAL 45 10.175 -4.685 -0.280 355 HG11 VAL 45 1HG1 VAL 45 9.506 -5.653 -2.367 356 HG12 VAL 45 2HG1 VAL 45 11.186 -5.824 -2.881 357 HG13 VAL 45 3HG1 VAL 45 10.569 -6.796 -1.545 358 HG21 VAL 45 3HG2 VAL 45 12.122 -5.903 0.295 359 HG22 VAL 45 1HG2 VAL 45 12.972 -5.366 -1.153 360 HG23 VAL 45 2HG2 VAL 45 12.625 -4.220 0.141 361 H ASP 46 H ASP 46 10.327 -3.905 -4.141 362 HA ASP 46 HA ASP 46 7.616 -2.797 -3.806 363 HB2 ASP 46 2HB ASP 46 9.665 -2.125 -5.714 364 HB3 ASP 46 3HB ASP 46 8.259 -2.776 -6.552 365 H THR 47 H THR 47 6.085 -4.283 -3.947 366 HA THR 47 HA THR 47 6.673 -6.840 -5.233 367 HB THR 47 HB THR 47 5.694 -6.803 -2.935 368 HG1 THR 47 HG1 THR 47 5.384 -8.607 -4.353 369 HG21 THR 47 3HG2 THR 47 3.240 -5.778 -4.367 370 HG22 THR 47 1HG2 THR 47 4.213 -4.872 -3.209 371 HG23 THR 47 2HG2 THR 47 3.311 -6.293 -2.683 372 H TYR 48 H TYR 48 6.081 -4.315 -6.718 373 HA TYR 48 HA TYR 48 3.588 -5.090 -8.068 374 HB2 TYR 48 2HB TYR 48 4.011 -2.702 -7.154 375 HB3 TYR 48 3HB TYR 48 5.064 -2.516 -8.553 376 HD1 TYR 48 HD1 TYR 48 4.153 -1.682 -10.506 377 HD2 TYR 48 HD2 TYR 48 1.593 -3.618 -7.714 378 HE1 TYR 48 HE1 TYR 48 2.209 -1.105 -11.898 379 HE2 TYR 48 HE2 TYR 48 -0.358 -3.048 -9.098 380 HH TYR 48 HH TYR 48 -0.965 -1.335 -10.805 381 H ASN 49 H ASN 49 7.015 -4.765 -8.478 382 HA ASN 49 HA ASN 49 6.834 -6.069 -11.065 383 HB2 ASN 49 2HB ASN 49 8.032 -4.455 -12.304 384 HB3 ASN 49 3HB ASN 49 6.820 -3.533 -11.419 385 HD21 ASN 49 2HD2 ASN 49 9.246 -2.193 -9.111 386 HD22 ASN 49 1HD2 ASN 49 7.690 -2.945 -9.107 387 H ASN 50 H ASN 50 7.899 -6.431 -8.228 388 HA ASN 50 HA ASN 50 9.710 -7.329 -7.174 389 HB2 ASN 50 2HB ASN 50 9.133 -8.982 -9.106 390 HB3 ASN 50 3HB ASN 50 10.625 -8.389 -9.830 391 HD21 ASN 50 2HD2 ASN 50 10.699 -11.086 -6.868 392 HD22 ASN 50 1HD2 ASN 50 9.240 -10.497 -7.582 393 H ALA 51 H ALA 51 10.740 -5.359 -6.688 394 HA ALA 51 HA ALA 51 13.394 -5.136 -7.647 395 HB1 ALA 51 1HB ALA 51 12.030 -4.104 -9.534 396 HB2 ALA 51 2HB ALA 51 11.698 -2.780 -8.416 397 HB3 ALA 51 3HB ALA 51 13.359 -3.143 -8.885 398 H VAL 52 H VAL 52 14.621 -4.169 -6.137 399 HA VAL 52 HA VAL 52 13.227 -2.678 -4.011 400 HB VAL 52 HB VAL 52 14.381 -4.900 -3.445 401 HG11 VAL 52 1HG1 VAL 52 16.756 -4.854 -3.091 402 HG12 VAL 52 2HG1 VAL 52 16.429 -4.404 -4.766 403 HG13 VAL 52 3HG1 VAL 52 16.841 -3.162 -3.582 404 HG21 VAL 52 3HG2 VAL 52 13.625 -3.298 -1.765 405 HG22 VAL 52 1HG2 VAL 52 15.148 -4.047 -1.284 406 HG23 VAL 52 2HG2 VAL 52 15.137 -2.404 -1.925 407 H ASP 53 H ASP 53 14.359 -0.915 -3.015 408 HA ASP 53 HA ASP 53 16.177 0.433 -4.890 409 HB2 ASP 53 2HB ASP 53 14.132 1.406 -2.938 410 HB3 ASP 53 3HB ASP 53 15.499 2.449 -3.322 411 H CYS 54 H CYS 54 17.633 -1.295 -3.669 412 HA CYS 54 HA CYS 54 18.530 -0.898 -1.082 413 HB2 CYS 54 2HB CYS 54 20.701 -1.896 -1.914 414 HB3 CYS 54 3HB CYS 54 19.254 -2.839 -2.258 415 H ASP 55 H ASP 55 20.279 0.235 -0.180 416 HA ASP 55 HA ASP 55 20.594 2.885 -1.069 417 HB2 ASP 55 2HB ASP 55 20.902 2.565 1.233 418 HB3 ASP 55 3HB ASP 55 21.997 1.207 0.992 Start of MODEL 5 1 H1 ALA 1 H ALA 1 0.870 -0.924 -0.810 2 HA ALA 1 HA ALA 1 1.444 0.175 -2.880 3 HB1 ALA 1 1HB ALA 1 1.607 2.386 -2.762 4 HB2 ALA 1 2HB ALA 1 1.824 2.329 -1.012 5 HB3 ALA 1 3HB ALA 1 3.220 2.180 -2.078 6 H LYS 2 H LYS 2 3.802 0.455 -0.212 7 HA LYS 2 HA LYS 2 5.421 -1.632 -1.425 8 HB2 LYS 2 2HB LYS 2 7.458 -0.287 -1.450 9 HB3 LYS 2 3HB LYS 2 6.237 0.420 -2.500 10 HG2 LYS 2 2HG LYS 2 6.032 2.281 -1.240 11 HG3 LYS 2 3HG LYS 2 6.305 1.418 0.275 12 HD2 LYS 2 2HD LYS 2 8.351 2.307 0.274 13 HD3 LYS 2 3HD LYS 2 8.725 1.215 -1.062 14 HE2 LYS 2 2HE LYS 2 8.626 2.864 -2.612 15 HE3 LYS 2 3HE LYS 2 7.333 3.720 -1.773 16 HZ1 LYS 2 3HZ LYS 2 10.240 3.835 -1.276 17 HZ2 LYS 2 1HZ LYS 2 9.136 4.292 -0.079 18 HZ3 LYS 2 2HZ LYS 2 9.163 5.108 -1.560 19 H TYR 3 H TYR 3 7.608 -1.674 0.033 20 HA TYR 3 HA TYR 3 6.746 -1.495 2.843 21 HB2 TYR 3 2HB TYR 3 8.312 -3.763 1.594 22 HB3 TYR 3 3HB TYR 3 7.890 -3.620 3.297 23 HD1 TYR 3 HD1 TYR 3 6.944 -5.013 0.210 24 HD2 TYR 3 HD2 TYR 3 5.311 -3.381 3.783 25 HE1 TYR 3 HE1 TYR 3 4.832 -6.196 -0.222 26 HE2 TYR 3 HE2 TYR 3 3.195 -4.560 3.362 27 HH TYR 3 HH TYR 3 2.344 -5.829 0.460 28 H THR 4 H THR 4 8.411 -1.186 4.385 29 HA THR 4 HA THR 4 10.913 -0.132 3.233 30 HB THR 4 HB THR 4 9.625 0.765 5.816 31 HG1 THR 4 HG1 THR 4 8.402 1.966 4.590 32 HG21 THR 4 3HG2 THR 4 11.278 2.761 4.896 33 HG22 THR 4 1HG2 THR 4 12.172 1.297 4.488 34 HG23 THR 4 2HG2 THR 4 11.681 1.595 6.156 35 H GLY 5 H GLY 5 12.822 -0.834 4.039 36 HA2 GLY 5 2HA GLY 5 13.029 -2.107 6.610 37 HA3 GLY 5 3HA GLY 5 13.129 -3.245 5.275 38 H LYS 6 H LYS 6 15.284 -3.617 6.267 39 HA LYS 6 HA LYS 6 17.248 -1.876 4.970 40 HB2 LYS 6 2HB LYS 6 17.748 -2.887 7.756 41 HB3 LYS 6 3HB LYS 6 18.591 -1.614 6.881 42 HG2 LYS 6 2HG LYS 6 17.355 -0.330 8.279 43 HG3 LYS 6 3HG LYS 6 16.194 -0.488 6.958 44 HD2 LYS 6 2HD LYS 6 15.555 -2.677 8.365 45 HD3 LYS 6 3HD LYS 6 16.159 -1.661 9.676 46 HE2 LYS 6 2HE LYS 6 14.326 -0.350 7.776 47 HE3 LYS 6 3HE LYS 6 13.614 -1.616 8.774 48 HZ1 LYS 6 3HZ LYS 6 14.172 1.010 9.497 49 HZ2 LYS 6 1HZ LYS 6 15.233 0.031 10.380 50 HZ3 LYS 6 2HZ LYS 6 13.564 -0.227 10.478 51 H CYS 7 H CYS 7 19.243 -2.893 4.485 52 HA CYS 7 HA CYS 7 19.060 -5.829 4.448 53 HB2 CYS 7 2HB CYS 7 21.074 -4.519 2.736 54 HB3 CYS 7 3HB CYS 7 19.958 -5.830 2.365 55 H THR 8 H THR 8 21.653 -6.488 3.894 56 HA THR 8 HA THR 8 23.251 -5.380 6.093 57 HB THR 8 HB THR 8 23.514 -8.295 5.738 58 HG1 THR 8 HG1 THR 8 21.321 -7.427 7.280 59 HG21 THR 8 3HG2 THR 8 24.313 -6.408 7.578 60 HG22 THR 8 1HG2 THR 8 24.351 -8.155 7.814 61 HG23 THR 8 2HG2 THR 8 22.975 -7.215 8.395 62 H LYS 9 H LYS 9 25.227 -4.864 5.435 63 HA LYS 9 HA LYS 9 26.149 -5.257 2.827 64 HB2 LYS 9 2HB LYS 9 28.393 -4.571 3.795 65 HB3 LYS 9 3HB LYS 9 27.063 -3.450 4.054 66 HG2 LYS 9 2HG LYS 9 27.199 -3.633 6.269 67 HG3 LYS 9 3HG LYS 9 27.340 -5.391 6.204 68 HD2 LYS 9 2HD LYS 9 29.357 -4.576 7.157 69 HD3 LYS 9 3HD LYS 9 29.737 -5.062 5.503 70 HE2 LYS 9 2HE LYS 9 30.095 -2.923 4.813 71 HE3 LYS 9 3HE LYS 9 28.916 -2.247 5.936 72 HZ1 LYS 9 3HZ LYS 9 31.610 -2.143 6.224 73 HZ2 LYS 9 1HZ LYS 9 31.182 -3.419 7.249 74 HZ3 LYS 9 2HZ LYS 9 30.482 -1.894 7.460 75 H SER 10 H SER 10 26.182 -7.358 5.523 76 HA SER 10 HA SER 10 28.434 -8.894 5.213 77 HB2 SER 10 2HB SER 10 25.642 -9.525 6.088 78 HB3 SER 10 3HB SER 10 26.793 -10.845 5.884 79 HG SER 10 HG SER 10 28.027 -10.039 7.481 80 H LYS 11 H LYS 11 25.323 -10.050 3.941 81 HA LYS 11 HA LYS 11 26.741 -10.957 1.522 82 HB2 LYS 11 2HB LYS 11 24.761 -12.403 3.255 83 HB3 LYS 11 3HB LYS 11 24.929 -12.821 1.555 84 HG2 LYS 11 2HG LYS 11 27.362 -13.198 1.968 85 HG3 LYS 11 3HG LYS 11 27.043 -12.973 3.690 86 HD2 LYS 11 2HD LYS 11 25.443 -14.841 3.619 87 HD3 LYS 11 3HD LYS 11 25.814 -15.078 1.909 88 HE2 LYS 11 2HE LYS 11 28.298 -15.142 2.945 89 HE3 LYS 11 3HE LYS 11 27.382 -15.774 4.313 90 HZ1 LYS 11 3HZ LYS 11 28.163 -17.523 2.806 91 HZ2 LYS 11 1HZ LYS 11 27.254 -16.849 1.548 92 HZ3 LYS 11 2HZ LYS 11 26.475 -17.485 2.907 93 H ASN 12 H ASN 12 24.737 -8.701 2.482 94 HA ASN 12 HA ASN 12 23.186 -7.390 1.458 95 HB2 ASN 12 2HB ASN 12 23.989 -7.125 -0.625 96 HB3 ASN 12 3HB ASN 12 24.492 -8.810 -0.727 97 HD21 ASN 12 2HD2 ASN 12 20.908 -7.602 -2.234 98 HD22 ASN 12 1HD2 ASN 12 21.808 -6.600 -1.151 99 H GLU 13 H GLU 13 21.134 -7.543 2.050 100 HA GLU 13 HA GLU 13 19.250 -9.220 0.844 101 HB2 GLU 13 2HB GLU 13 20.758 -10.635 2.679 102 HB3 GLU 13 3HB GLU 13 19.329 -10.188 3.599 103 HG2 GLU 13 2HG GLU 13 17.925 -11.163 1.813 104 HG3 GLU 13 3HG GLU 13 19.394 -11.698 0.998 105 H CYS 14 H CYS 14 17.972 -7.421 0.796 106 HA CYS 14 HA CYS 14 17.432 -5.889 3.176 107 HB2 CYS 14 2HB CYS 14 16.828 -5.679 0.301 108 HB3 CYS 14 3HB CYS 14 15.567 -5.058 1.361 109 H LYS 15 H LYS 15 16.172 -6.722 4.704 110 HA LYS 15 HA LYS 15 14.081 -8.616 4.074 111 HB2 LYS 15 2HB LYS 15 15.535 -8.822 6.096 112 HB3 LYS 15 3HB LYS 15 14.776 -7.372 6.740 113 HG2 LYS 15 2HG LYS 15 13.051 -9.659 5.929 114 HG3 LYS 15 3HG LYS 15 13.951 -9.753 7.444 115 HD2 LYS 15 2HD LYS 15 12.620 -7.193 7.109 116 HD3 LYS 15 3HD LYS 15 11.488 -8.546 7.064 117 HE2 LYS 15 2HE LYS 15 13.560 -8.575 9.183 118 HE3 LYS 15 3HE LYS 15 12.267 -7.387 9.338 119 HZ1 LYS 15 3HZ LYS 15 11.714 -9.448 10.466 120 HZ2 LYS 15 1HZ LYS 15 11.893 -10.317 9.025 121 HZ3 LYS 15 2HZ LYS 15 10.652 -9.177 9.177 122 H TYR 16 H TYR 16 11.875 -8.324 4.390 123 HA TYR 16 HA TYR 16 10.858 -5.740 5.209 124 HB2 TYR 16 2HB TYR 16 9.746 -5.186 3.181 125 HB3 TYR 16 3HB TYR 16 11.411 -5.551 2.743 126 HD1 TYR 16 HD1 TYR 16 11.897 -7.934 1.883 127 HD2 TYR 16 HD2 TYR 16 7.987 -6.270 2.101 128 HE1 TYR 16 HE1 TYR 16 11.108 -9.591 0.246 129 HE2 TYR 16 HE2 TYR 16 7.186 -7.924 0.466 130 HH TYR 16 HH TYR 16 9.214 -9.756 -1.438 131 H LYS 17 H LYS 17 8.281 -5.905 4.407 132 HA LYS 17 HA LYS 17 7.363 -8.463 5.551 133 HB2 LYS 17 2HB LYS 17 5.370 -7.135 6.358 134 HB3 LYS 17 3HB LYS 17 6.896 -6.770 7.152 135 HG2 LYS 17 2HG LYS 17 6.547 -5.057 4.881 136 HG3 LYS 17 3HG LYS 17 5.125 -4.983 5.924 137 HD2 LYS 17 2HD LYS 17 6.397 -4.299 7.784 138 HD3 LYS 17 3HD LYS 17 7.918 -4.757 7.014 139 HE2 LYS 17 2HE LYS 17 7.567 -2.973 5.343 140 HE3 LYS 17 3HE LYS 17 6.099 -2.493 6.193 141 HZ1 LYS 17 3HZ LYS 17 7.275 -1.379 7.696 142 HZ2 LYS 17 1HZ LYS 17 8.608 -1.547 6.668 143 HZ3 LYS 17 2HZ LYS 17 8.368 -2.649 7.928 144 H ASN 18 H ASN 18 5.858 -9.595 4.459 145 HA ASN 18 HA ASN 18 4.453 -8.293 2.235 146 HB2 ASN 18 2HB ASN 18 5.147 -9.793 0.638 147 HB3 ASN 18 3HB ASN 18 6.591 -9.752 1.646 148 HD21 ASN 18 2HD2 ASN 18 5.703 -12.933 3.209 149 HD22 ASN 18 1HD2 ASN 18 6.057 -11.318 3.712 150 H ASP 19 H ASP 19 2.606 -9.596 1.439 151 HA ASP 19 HA ASP 19 0.714 -10.837 1.734 152 HB2 ASP 19 2HB ASP 19 2.474 -12.575 2.531 153 HB3 ASP 19 3HB ASP 19 1.915 -12.162 4.149 154 H ALA 20 H ALA 20 1.917 -10.461 5.070 155 HA ALA 20 HA ALA 20 0.063 -8.376 5.685 156 HB1 ALA 20 1HB ALA 20 -1.323 -9.598 7.273 157 HB2 ALA 20 2HB ALA 20 -1.493 -10.262 5.647 158 HB3 ALA 20 3HB ALA 20 -0.507 -11.102 6.844 159 H GLY 21 H GLY 21 2.925 -9.113 5.947 160 HA2 GLY 21 2HA GLY 21 4.164 -7.926 7.742 161 HA3 GLY 21 3HA GLY 21 3.158 -8.811 8.879 162 H LYS 22 H LYS 22 3.898 -10.781 6.292 163 HA LYS 22 HA LYS 22 5.538 -12.486 7.861 164 HB2 LYS 22 2HB LYS 22 4.325 -12.522 5.197 165 HB3 LYS 22 3HB LYS 22 5.886 -13.331 5.258 166 HG2 LYS 22 2HG LYS 22 5.117 -14.811 6.981 167 HG3 LYS 22 3HG LYS 22 3.596 -13.926 7.119 168 HD2 LYS 22 2HD LYS 22 3.451 -14.501 4.538 169 HD3 LYS 22 3HD LYS 22 4.514 -15.825 5.021 170 HE2 LYS 22 2HE LYS 22 2.148 -15.357 6.725 171 HE3 LYS 22 3HE LYS 22 1.828 -15.962 5.100 172 HZ1 LYS 22 3HZ LYS 22 3.965 -17.400 6.254 173 HZ2 LYS 22 1HZ LYS 22 2.463 -17.973 5.726 174 HZ3 LYS 22 2HZ LYS 22 2.645 -17.417 7.313 175 H ASP 23 H ASP 23 7.690 -12.627 8.038 176 HA ASP 23 HA ASP 23 9.341 -10.559 6.985 177 HB2 ASP 23 2HB ASP 23 11.203 -11.980 8.001 178 HB3 ASP 23 3HB ASP 23 9.963 -11.396 9.107 179 H THR 24 H THR 24 10.103 -10.462 4.989 180 HA THR 24 HA THR 24 10.905 -12.963 3.659 181 HB THR 24 HB THR 24 9.511 -10.635 2.323 182 HG1 THR 24 HG1 THR 24 7.936 -12.438 1.945 183 HG21 THR 24 3HG2 THR 24 11.260 -12.559 1.251 184 HG22 THR 24 1HG2 THR 24 10.223 -11.439 0.369 185 HG23 THR 24 2HG2 THR 24 9.635 -13.051 0.775 186 H PHE 25 H PHE 25 12.913 -12.954 2.876 187 HA PHE 25 HA PHE 25 14.354 -10.394 2.813 188 HB2 PHE 25 2HB PHE 25 15.448 -13.213 2.924 189 HB3 PHE 25 3HB PHE 25 16.404 -11.736 2.978 190 HD1 PHE 25 HD1 PHE 25 16.798 -10.630 4.999 191 HD2 PHE 25 HD2 PHE 25 13.819 -13.664 4.797 192 HE1 PHE 25 HE1 PHE 25 16.584 -10.579 7.450 193 HE2 PHE 25 HE2 PHE 25 13.600 -13.617 7.247 194 HZ PHE 25 HZ PHE 25 14.983 -12.073 8.577 195 H ILE 26 H ILE 26 15.356 -9.673 0.997 196 HA ILE 26 HA ILE 26 15.694 -11.369 -1.314 197 HB ILE 26 HB ILE 26 13.353 -10.741 -1.586 198 HG12 ILE 26 2HG1 ILE 26 13.513 -9.717 -3.822 199 HG13 ILE 26 3HG1 ILE 26 15.175 -9.244 -3.485 200 HG21 ILE 26 1HG2 ILE 26 13.361 -8.691 -0.272 201 HG22 ILE 26 2HG2 ILE 26 14.345 -7.895 -1.499 202 HG23 ILE 26 3HG2 ILE 26 12.699 -8.400 -1.880 203 HD11 ILE 26 3HD1 ILE 26 15.974 -11.299 -3.891 204 HD12 ILE 26 1HD1 ILE 26 14.586 -12.103 -3.159 205 HD13 ILE 26 2HD1 ILE 26 14.477 -11.477 -4.805 206 H LYS 27 H LYS 27 17.348 -10.693 -2.555 207 HA LYS 27 HA LYS 27 18.804 -8.341 -1.705 208 HB2 LYS 27 2HB LYS 27 20.492 -9.123 -3.378 209 HB3 LYS 27 3HB LYS 27 20.104 -10.309 -2.139 210 HG2 LYS 27 2HG LYS 27 18.974 -11.677 -3.611 211 HG3 LYS 27 3HG LYS 27 18.661 -10.367 -4.752 212 HD2 LYS 27 2HD LYS 27 20.997 -10.327 -5.395 213 HD3 LYS 27 3HD LYS 27 21.377 -11.556 -4.186 214 HE2 LYS 27 2HE LYS 27 19.816 -13.098 -5.373 215 HE3 LYS 27 3HE LYS 27 19.647 -11.877 -6.634 216 HZ1 LYS 27 3HZ LYS 27 21.914 -12.086 -7.203 217 HZ2 LYS 27 1HZ LYS 27 21.322 -13.666 -7.075 218 HZ3 LYS 27 2HZ LYS 27 22.264 -13.013 -5.832 219 H CYS 28 H CYS 28 19.402 -6.606 -3.051 220 HA CYS 28 HA CYS 28 17.433 -5.453 -4.582 221 HB2 CYS 28 2HB CYS 28 19.799 -4.590 -3.680 222 HB3 CYS 28 3HB CYS 28 20.243 -4.862 -5.362 223 HA PRO 29 HA PRO 29 17.658 -8.183 -8.151 224 HB2 PRO 29 2HB PRO 29 15.375 -7.252 -9.288 225 HB3 PRO 29 3HB PRO 29 15.380 -8.419 -7.961 226 HG2 PRO 29 2HG PRO 29 14.948 -5.458 -7.877 227 HG3 PRO 29 3HG PRO 29 14.075 -6.740 -7.019 228 HD2 PRO 29 2HD PRO 29 15.993 -5.240 -5.835 229 HD3 PRO 29 3HD PRO 29 15.700 -6.936 -5.397 230 H LYS 30 H LYS 30 17.127 -4.693 -8.162 231 HA LYS 30 HA LYS 30 17.486 -4.165 -10.868 232 HB2 LYS 30 2HB LYS 30 17.271 -2.665 -8.487 233 HB3 LYS 30 3HB LYS 30 18.739 -2.115 -9.285 234 HG2 LYS 30 2HG LYS 30 16.042 -2.276 -10.611 235 HG3 LYS 30 3HG LYS 30 16.720 -0.816 -9.888 236 HD2 LYS 30 2HD LYS 30 18.680 -1.911 -11.619 237 HD3 LYS 30 3HD LYS 30 17.148 -1.882 -12.496 238 HE2 LYS 30 2HE LYS 30 16.905 0.449 -12.178 239 HE3 LYS 30 3HE LYS 30 18.189 0.493 -10.971 240 HZ1 LYS 30 3HZ LYS 30 18.987 -0.501 -13.569 241 HZ2 LYS 30 1HZ LYS 30 19.770 0.588 -12.538 242 HZ3 LYS 30 2HZ LYS 30 18.525 1.126 -13.547 243 H PHE 31 H PHE 31 19.977 -3.774 -8.340 244 HA PHE 31 HA PHE 31 22.017 -4.227 -10.407 245 HB2 PHE 31 2HB PHE 31 22.818 -3.222 -7.735 246 HB3 PHE 31 3HB PHE 31 23.392 -2.757 -9.333 247 HD1 PHE 31 HD1 PHE 31 22.367 -0.973 -10.551 248 HD2 PHE 31 HD2 PHE 31 20.793 -2.225 -6.799 249 HE1 PHE 31 HE1 PHE 31 20.987 1.062 -10.454 250 HE2 PHE 31 HE2 PHE 31 19.410 -0.192 -6.697 251 HZ PHE 31 HZ PHE 31 19.505 1.454 -8.526 252 H ASP 32 H ASP 32 23.613 -5.750 -10.140 253 HA ASP 32 HA ASP 32 23.098 -7.744 -8.047 254 HB2 ASP 32 2HB ASP 32 24.618 -9.177 -9.557 255 HB3 ASP 32 3HB ASP 32 22.996 -8.806 -10.138 256 H ASN 33 H ASN 33 25.380 -5.411 -9.109 257 HA ASN 33 HA ASN 33 27.344 -6.435 -7.164 258 HB2 ASN 33 2HB ASN 33 27.660 -5.595 -9.923 259 HB3 ASN 33 3HB ASN 33 28.690 -4.654 -8.847 260 HD21 ASN 33 2HD2 ASN 33 30.410 -7.631 -7.670 261 HD22 ASN 33 1HD2 ASN 33 29.577 -6.269 -7.009 262 H LYS 34 H LYS 34 25.182 -3.975 -7.884 263 HA LYS 34 HA LYS 34 26.579 -2.097 -6.093 264 HB2 LYS 34 2HB LYS 34 24.408 -1.346 -8.044 265 HB3 LYS 34 3HB LYS 34 25.526 -0.280 -7.203 266 HG2 LYS 34 2HG LYS 34 26.326 -2.287 -9.300 267 HG3 LYS 34 3HG LYS 34 26.049 -0.569 -9.598 268 HD2 LYS 34 2HD LYS 34 27.923 -1.254 -7.412 269 HD3 LYS 34 3HD LYS 34 28.467 -1.593 -9.056 270 HE2 LYS 34 2HE LYS 34 29.074 0.549 -9.164 271 HE3 LYS 34 3HE LYS 34 27.355 0.934 -9.233 272 HZ1 LYS 34 3HZ LYS 34 29.060 1.829 -7.351 273 HZ2 LYS 34 1HZ LYS 34 28.359 0.504 -6.566 274 HZ3 LYS 34 2HZ LYS 34 27.380 1.746 -7.166 275 H LYS 35 H LYS 35 24.681 -4.396 -5.551 276 HA LYS 35 HA LYS 35 22.213 -3.318 -4.675 277 HB2 LYS 35 2HB LYS 35 21.874 -5.431 -3.563 278 HB3 LYS 35 3HB LYS 35 22.614 -5.731 -5.130 279 HG2 LYS 35 2HG LYS 35 24.815 -5.570 -3.584 280 HG3 LYS 35 3HG LYS 35 23.652 -6.210 -2.421 281 HD2 LYS 35 2HD LYS 35 23.169 -8.081 -3.830 282 HD3 LYS 35 3HD LYS 35 24.105 -7.391 -5.157 283 HE2 LYS 35 2HE LYS 35 25.360 -8.023 -2.505 284 HE3 LYS 35 3HE LYS 35 25.184 -9.251 -3.758 285 HZ1 LYS 35 3HZ LYS 35 26.951 -6.941 -3.659 286 HZ2 LYS 35 1HZ LYS 35 26.286 -7.307 -5.171 287 HZ3 LYS 35 2HZ LYS 35 27.200 -8.467 -4.345 288 H CYS 36 H CYS 36 21.833 -4.127 -2.103 289 HA CYS 36 HA CYS 36 22.651 -1.983 -0.578 290 HB2 CYS 36 2HB CYS 36 21.659 -4.724 0.094 291 HB3 CYS 36 3HB CYS 36 22.249 -3.691 1.392 292 H THR 37 H THR 37 24.558 -1.365 0.169 293 HA THR 37 HA THR 37 26.576 -3.427 0.773 294 HB THR 37 HB THR 37 28.319 -1.767 0.100 295 HG1 THR 37 HG1 THR 37 27.599 0.002 -1.189 296 HG21 THR 37 3HG2 THR 37 26.650 -3.366 -1.554 297 HG22 THR 37 1HG2 THR 37 28.339 -2.925 -1.801 298 HG23 THR 37 2HG2 THR 37 27.056 -1.899 -2.444 299 H LYS 38 H LYS 38 24.781 -2.422 2.673 300 HA LYS 38 HA LYS 38 26.650 -1.342 4.591 301 HB2 LYS 38 2HB LYS 38 24.861 0.401 3.216 302 HB3 LYS 38 3HB LYS 38 24.324 0.276 4.886 303 HG2 LYS 38 2HG LYS 38 27.215 0.719 4.419 304 HG3 LYS 38 3HG LYS 38 26.117 2.062 4.089 305 HD2 LYS 38 2HD LYS 38 25.919 0.542 6.661 306 HD3 LYS 38 3HD LYS 38 27.140 1.802 6.462 307 HE2 LYS 38 2HE LYS 38 25.435 3.438 5.980 308 HE3 LYS 38 3HE LYS 38 24.185 2.195 6.004 309 HZ1 LYS 38 3HZ LYS 38 24.545 1.858 8.330 310 HZ2 LYS 38 1HZ LYS 38 24.312 3.514 8.069 311 HZ3 LYS 38 2HZ LYS 38 25.869 2.912 8.341 312 H ASP 39 H ASP 39 25.911 -1.515 6.767 313 HA ASP 39 HA ASP 39 23.992 -3.658 7.117 314 HB2 ASP 39 2HB ASP 39 24.702 -3.445 9.549 315 HB3 ASP 39 3HB ASP 39 25.967 -3.899 8.410 316 H ASN 40 H ASN 40 21.915 -3.339 7.526 317 HA ASN 40 HA ASN 40 19.951 -2.375 8.145 318 HB2 ASN 40 2HB ASN 40 21.051 -2.414 10.380 319 HB3 ASN 40 3HB ASN 40 21.655 -0.788 10.076 320 HD21 ASN 40 2HD2 ASN 40 18.838 0.628 11.442 321 HD22 ASN 40 1HD2 ASN 40 20.549 0.627 11.201 322 H ASN 41 H ASN 41 21.036 -1.331 5.872 323 HA ASN 41 HA ASN 41 21.145 1.539 5.988 324 HB2 ASN 41 2HB ASN 41 21.284 1.393 3.517 325 HB3 ASN 41 3HB ASN 41 22.466 0.363 4.319 326 HD21 ASN 41 2HD2 ASN 41 21.272 -2.599 2.983 327 HD22 ASN 41 1HD2 ASN 41 22.393 -1.803 4.030 328 H LYS 42 H LYS 42 19.738 2.466 3.896 329 HA LYS 42 HA LYS 42 16.961 2.031 4.748 330 HB2 LYS 42 2HB LYS 42 18.135 4.347 4.794 331 HB3 LYS 42 3HB LYS 42 17.885 4.333 3.053 332 HG2 LYS 42 2HG LYS 42 15.479 3.654 4.534 333 HG3 LYS 42 3HG LYS 42 16.112 5.250 4.942 334 HD2 LYS 42 2HD LYS 42 15.481 6.102 2.976 335 HD3 LYS 42 3HD LYS 42 16.165 4.742 2.083 336 HE2 LYS 42 2HE LYS 42 14.200 3.511 2.207 337 HE3 LYS 42 3HE LYS 42 13.599 4.426 3.588 338 HZ1 LYS 42 3HZ LYS 42 13.826 6.301 1.643 339 HZ2 LYS 42 1HZ LYS 42 12.392 5.523 2.092 340 HZ3 LYS 42 2HZ LYS 42 13.295 4.945 0.783 341 H CYS 43 H CYS 43 15.924 0.619 3.498 342 HA CYS 43 HA CYS 43 15.925 1.041 0.613 343 HB2 CYS 43 2HB CYS 43 16.360 -1.266 0.080 344 HB3 CYS 43 3HB CYS 43 17.672 -0.680 1.097 345 H THR 44 H THR 44 14.000 0.574 -0.353 346 HA THR 44 HA THR 44 11.889 -0.536 1.381 347 HB THR 44 HB THR 44 10.270 0.891 0.190 348 HG1 THR 44 HG1 THR 44 11.227 1.324 -1.749 349 HG21 THR 44 3HG2 THR 44 10.619 2.697 1.535 350 HG22 THR 44 1HG2 THR 44 12.318 2.840 1.089 351 HG23 THR 44 2HG2 THR 44 11.811 1.611 2.247 352 H VAL 45 H VAL 45 11.078 -2.388 0.674 353 HA VAL 45 HA VAL 45 11.635 -3.317 -2.005 354 HB VAL 45 HB VAL 45 10.096 -4.630 0.239 355 HG11 VAL 45 1HG1 VAL 45 9.302 -5.708 -1.647 356 HG12 VAL 45 2HG1 VAL 45 10.829 -5.534 -2.516 357 HG13 VAL 45 3HG1 VAL 45 10.687 -6.705 -1.204 358 HG21 VAL 45 3HG2 VAL 45 12.035 -5.728 0.851 359 HG22 VAL 45 1HG2 VAL 45 12.800 -5.469 -0.716 360 HG23 VAL 45 2HG2 VAL 45 12.646 -4.131 0.423 361 H ASP 46 H ASP 46 10.205 -3.597 -3.652 362 HA ASP 46 HA ASP 46 7.497 -2.514 -3.234 363 HB2 ASP 46 2HB ASP 46 9.506 -1.876 -5.165 364 HB3 ASP 46 3HB ASP 46 8.131 -2.587 -6.005 365 H THR 47 H THR 47 5.900 -3.932 -3.351 366 HA THR 47 HA THR 47 6.387 -6.564 -4.500 367 HB THR 47 HB THR 47 5.319 -6.468 -2.303 368 HG1 THR 47 HG1 THR 47 4.556 -8.252 -3.204 369 HG21 THR 47 3HG2 THR 47 3.963 -4.289 -3.282 370 HG22 THR 47 1HG2 THR 47 3.593 -5.133 -1.779 371 HG23 THR 47 2HG2 THR 47 2.718 -5.538 -3.256 372 H TYR 48 H TYR 48 6.350 -4.661 -6.465 373 HA TYR 48 HA TYR 48 3.767 -5.163 -7.794 374 HB2 TYR 48 2HB TYR 48 4.225 -2.749 -7.130 375 HB3 TYR 48 3HB TYR 48 5.521 -2.764 -8.320 376 HD1 TYR 48 HD1 TYR 48 2.044 -4.133 -8.390 377 HD2 TYR 48 HD2 TYR 48 4.879 -1.479 -10.130 378 HE1 TYR 48 HE1 TYR 48 0.424 -3.567 -10.153 379 HE2 TYR 48 HE2 TYR 48 3.266 -0.905 -11.896 380 HH TYR 48 HH TYR 48 -0.044 -1.893 -11.755 381 H ASN 49 H ASN 49 7.253 -4.871 -8.122 382 HA ASN 49 HA ASN 49 7.208 -6.684 -10.373 383 HB2 ASN 49 2HB ASN 49 8.722 -5.073 -11.697 384 HB3 ASN 49 3HB ASN 49 6.991 -4.748 -11.688 385 HD21 ASN 49 2HD2 ASN 49 9.593 -2.239 -9.802 386 HD22 ASN 49 1HD2 ASN 49 10.061 -3.845 -10.236 387 H ASN 50 H ASN 50 8.248 -6.523 -7.599 388 HA ASN 50 HA ASN 50 10.117 -7.032 -6.400 389 HB2 ASN 50 2HB ASN 50 9.940 -9.040 -7.852 390 HB3 ASN 50 3HB ASN 50 11.010 -8.263 -9.016 391 HD21 ASN 50 2HD2 ASN 50 13.485 -10.136 -7.393 392 HD22 ASN 50 1HD2 ASN 50 12.436 -10.034 -8.762 393 H ALA 51 H ALA 51 10.826 -4.892 -6.100 394 HA ALA 51 HA ALA 51 13.435 -4.367 -7.173 395 HB1 ALA 51 1HB ALA 51 11.478 -2.175 -7.711 396 HB2 ALA 51 2HB ALA 51 13.053 -2.481 -8.445 397 HB3 ALA 51 3HB ALA 51 11.670 -3.489 -8.872 398 H VAL 52 H VAL 52 14.404 -3.994 -5.280 399 HA VAL 52 HA VAL 52 13.054 -2.391 -3.243 400 HB VAL 52 HB VAL 52 14.211 -4.594 -2.707 401 HG11 VAL 52 1HG1 VAL 52 16.248 -3.914 -4.111 402 HG12 VAL 52 2HG1 VAL 52 16.734 -2.972 -2.699 403 HG13 VAL 52 3HG1 VAL 52 16.538 -4.720 -2.570 404 HG21 VAL 52 3HG2 VAL 52 15.055 -2.132 -1.179 405 HG22 VAL 52 1HG2 VAL 52 13.524 -2.989 -0.996 406 HG23 VAL 52 2HG2 VAL 52 15.037 -3.782 -0.555 407 H ASP 53 H ASP 53 13.825 -0.465 -2.469 408 HA ASP 53 HA ASP 53 15.590 0.997 -4.230 409 HB2 ASP 53 2HB ASP 53 13.810 1.694 -1.933 410 HB3 ASP 53 3HB ASP 53 15.097 2.813 -2.373 411 H CYS 54 H CYS 54 17.234 -0.795 -3.415 412 HA CYS 54 HA CYS 54 18.468 -0.519 -0.912 413 HB2 CYS 54 2HB CYS 54 20.425 -1.636 -2.013 414 HB3 CYS 54 3HB CYS 54 18.895 -2.477 -2.235 415 H ASP 55 H ASP 55 20.022 0.797 -0.129 416 HA ASP 55 HA ASP 55 20.440 3.324 -1.208 417 HB2 ASP 55 2HB ASP 55 20.865 3.115 1.089 418 HB3 ASP 55 3HB ASP 55 21.916 1.720 0.862 Start of MODEL 6 1 H1 ALA 1 H ALA 1 1.847 0.664 -3.648 2 HA ALA 1 HA ALA 1 2.033 1.596 -1.579 3 HB1 ALA 1 1HB ALA 1 0.941 -0.568 -0.989 4 HB2 ALA 1 2HB ALA 1 2.540 -1.215 -0.622 5 HB3 ALA 1 3HB ALA 1 1.901 0.138 0.311 6 H LYS 2 H LYS 2 4.572 -0.632 -2.500 7 HA LYS 2 HA LYS 2 6.834 -0.557 -2.269 8 HB2 LYS 2 2HB LYS 2 5.976 2.198 -2.286 9 HB3 LYS 2 3HB LYS 2 7.377 2.005 -1.241 10 HG2 LYS 2 2HG LYS 2 7.588 0.644 -3.829 11 HG3 LYS 2 3HG LYS 2 7.483 2.404 -3.919 12 HD2 LYS 2 2HD LYS 2 9.329 1.263 -1.902 13 HD3 LYS 2 3HD LYS 2 9.796 1.108 -3.597 14 HE2 LYS 2 2HE LYS 2 8.822 3.762 -2.738 15 HE3 LYS 2 3HE LYS 2 10.377 3.252 -2.082 16 HZ1 LYS 2 3HZ LYS 2 11.003 4.269 -4.020 17 HZ2 LYS 2 1HZ LYS 2 9.623 3.782 -4.871 18 HZ3 LYS 2 2HZ LYS 2 10.857 2.670 -4.554 19 H TYR 3 H TYR 3 7.410 -1.877 -0.653 20 HA TYR 3 HA TYR 3 6.869 -1.192 2.108 21 HB2 TYR 3 2HB TYR 3 8.201 -3.581 0.824 22 HB3 TYR 3 3HB TYR 3 7.991 -3.400 2.563 23 HD1 TYR 3 HD1 TYR 3 6.495 -4.500 -0.486 24 HD2 TYR 3 HD2 TYR 3 5.598 -3.133 3.442 25 HE1 TYR 3 HE1 TYR 3 4.250 -5.488 -0.662 26 HE2 TYR 3 HE2 TYR 3 3.351 -4.119 3.278 27 HH TYR 3 HH TYR 3 1.755 -4.776 1.501 28 H THR 4 H THR 4 8.303 -0.479 3.586 29 HA THR 4 HA THR 4 11.004 0.156 2.619 30 HB THR 4 HB THR 4 9.559 1.322 5.006 31 HG1 THR 4 HG1 THR 4 8.737 2.745 3.664 32 HG21 THR 4 3HG2 THR 4 11.341 3.121 4.657 33 HG22 THR 4 1HG2 THR 4 12.175 1.936 3.653 34 HG23 THR 4 2HG2 THR 4 11.872 1.592 5.356 35 H GLY 5 H GLY 5 12.747 -0.782 3.491 36 HA2 GLY 5 2HA GLY 5 12.665 -1.855 6.189 37 HA3 GLY 5 3HA GLY 5 12.836 -3.052 4.913 38 H LYS 6 H LYS 6 14.876 -3.591 5.900 39 HA LYS 6 HA LYS 6 17.027 -1.898 4.873 40 HB2 LYS 6 2HB LYS 6 17.216 -3.050 7.648 41 HB3 LYS 6 3HB LYS 6 18.238 -1.830 6.899 42 HG2 LYS 6 2HG LYS 6 16.994 -0.482 8.227 43 HG3 LYS 6 3HG LYS 6 15.944 -0.504 6.808 44 HD2 LYS 6 2HD LYS 6 14.402 -1.891 7.806 45 HD3 LYS 6 3HD LYS 6 15.590 -2.598 8.904 46 HE2 LYS 6 2HE LYS 6 15.522 0.101 9.576 47 HE3 LYS 6 3HE LYS 6 13.836 -0.327 9.285 48 HZ1 LYS 6 3HZ LYS 6 15.632 -1.892 11.052 49 HZ2 LYS 6 1HZ LYS 6 13.953 -2.039 10.899 50 HZ3 LYS 6 2HZ LYS 6 14.620 -0.658 11.612 51 H CYS 7 H CYS 7 19.087 -3.022 4.710 52 HA CYS 7 HA CYS 7 18.727 -5.937 4.468 53 HB2 CYS 7 2HB CYS 7 20.927 -4.735 2.937 54 HB3 CYS 7 3HB CYS 7 19.716 -5.912 2.437 55 H THR 8 H THR 8 21.325 -6.696 4.069 56 HA THR 8 HA THR 8 22.802 -5.735 6.417 57 HB THR 8 HB THR 8 23.038 -8.628 5.989 58 HG1 THR 8 HG1 THR 8 20.942 -8.822 7.254 59 HG21 THR 8 3HG2 THR 8 22.651 -6.783 8.334 60 HG22 THR 8 1HG2 THR 8 24.085 -7.709 7.895 61 HG23 THR 8 2HG2 THR 8 22.654 -8.538 8.508 62 H LYS 9 H LYS 9 24.860 -5.315 5.961 63 HA LYS 9 HA LYS 9 25.951 -5.618 3.399 64 HB2 LYS 9 2HB LYS 9 28.139 -5.066 4.552 65 HB3 LYS 9 3HB LYS 9 26.836 -3.906 4.780 66 HG2 LYS 9 2HG LYS 9 26.819 -4.201 6.986 67 HG3 LYS 9 3HG LYS 9 26.887 -5.959 6.840 68 HD2 LYS 9 2HD LYS 9 28.918 -5.613 7.808 69 HD3 LYS 9 3HD LYS 9 29.390 -5.403 6.120 70 HE2 LYS 9 2HE LYS 9 28.558 -2.890 6.807 71 HE3 LYS 9 3HE LYS 9 29.288 -3.460 8.307 72 HZ1 LYS 9 3HZ LYS 9 31.313 -3.267 7.446 73 HZ2 LYS 9 1HZ LYS 9 30.614 -2.417 6.161 74 HZ3 LYS 9 2HZ LYS 9 30.889 -4.080 6.024 75 H SER 10 H SER 10 25.650 -7.853 5.949 76 HA SER 10 HA SER 10 27.846 -9.472 5.817 77 HB2 SER 10 2HB SER 10 25.456 -9.686 7.039 78 HB3 SER 10 3HB SER 10 25.241 -10.894 5.773 79 HG SER 10 HG SER 10 26.183 -11.972 7.424 80 H LYS 11 H LYS 11 24.938 -9.866 3.787 81 HA LYS 11 HA LYS 11 26.596 -10.661 1.542 82 HB2 LYS 11 2HB LYS 11 25.414 -12.616 3.212 83 HB3 LYS 11 3HB LYS 11 24.477 -12.589 1.723 84 HG2 LYS 11 2HG LYS 11 27.449 -12.666 1.558 85 HG3 LYS 11 3HG LYS 11 26.567 -14.139 1.967 86 HD2 LYS 11 2HD LYS 11 25.350 -14.075 -0.075 87 HD3 LYS 11 3HD LYS 11 25.915 -12.442 -0.435 88 HE2 LYS 11 2HE LYS 11 27.844 -14.716 -0.121 89 HE3 LYS 11 3HE LYS 11 27.015 -14.433 -1.651 90 HZ1 LYS 11 3HZ LYS 11 28.541 -12.306 -0.272 91 HZ2 LYS 11 1HZ LYS 11 28.022 -12.346 -1.881 92 HZ3 LYS 11 2HZ LYS 11 29.269 -13.367 -1.370 93 H ASN 12 H ASN 12 24.556 -8.585 2.413 94 HA ASN 12 HA ASN 12 22.940 -7.329 1.422 95 HB2 ASN 12 2HB ASN 12 23.849 -7.082 -0.640 96 HB3 ASN 12 3HB ASN 12 24.167 -8.805 -0.816 97 HD21 ASN 12 2HD2 ASN 12 20.744 -7.147 -2.238 98 HD22 ASN 12 1HD2 ASN 12 21.805 -6.273 -1.192 99 H GLU 13 H GLU 13 20.976 -7.646 2.233 100 HA GLU 13 HA GLU 13 19.169 -9.494 0.995 101 HB2 GLU 13 2HB GLU 13 20.610 -10.371 3.296 102 HB3 GLU 13 3HB GLU 13 18.928 -10.144 3.755 103 HG2 GLU 13 2HG GLU 13 18.168 -11.736 2.242 104 HG3 GLU 13 3HG GLU 13 19.652 -11.679 1.293 105 H CYS 14 H CYS 14 18.085 -7.513 0.612 106 HA CYS 14 HA CYS 14 17.283 -5.747 2.672 107 HB2 CYS 14 2HB CYS 14 17.382 -5.137 0.263 108 HB3 CYS 14 3HB CYS 14 15.992 -6.177 -0.030 109 H LYS 15 H LYS 15 15.922 -6.184 4.263 110 HA LYS 15 HA LYS 15 13.949 -8.304 3.967 111 HB2 LYS 15 2HB LYS 15 15.437 -8.029 6.010 112 HB3 LYS 15 3HB LYS 15 14.467 -6.619 6.416 113 HG2 LYS 15 2HG LYS 15 13.068 -9.189 5.896 114 HG3 LYS 15 3HG LYS 15 13.941 -8.994 7.418 115 HD2 LYS 15 2HD LYS 15 12.229 -6.726 6.651 116 HD3 LYS 15 3HD LYS 15 11.373 -8.225 7.018 117 HE2 LYS 15 2HE LYS 15 13.517 -7.384 8.885 118 HE3 LYS 15 3HE LYS 15 12.026 -6.443 8.890 119 HZ1 LYS 15 3HZ LYS 15 12.302 -9.357 9.380 120 HZ2 LYS 15 1HZ LYS 15 10.816 -8.570 9.196 121 HZ3 LYS 15 2HZ LYS 15 11.828 -8.173 10.492 122 H TYR 16 H TYR 16 11.725 -8.024 4.303 123 HA TYR 16 HA TYR 16 10.566 -5.458 4.773 124 HB2 TYR 16 2HB TYR 16 9.659 -4.971 2.644 125 HB3 TYR 16 3HB TYR 16 11.351 -5.354 2.347 126 HD1 TYR 16 HD1 TYR 16 7.989 -6.072 1.451 127 HD2 TYR 16 HD2 TYR 16 11.880 -7.784 1.630 128 HE1 TYR 16 HE1 TYR 16 7.307 -7.777 -0.185 129 HE2 TYR 16 HE2 TYR 16 11.209 -9.494 -0.005 130 HH TYR 16 HH TYR 16 9.621 -10.119 -1.469 131 H LYS 17 H LYS 17 8.079 -5.706 3.833 132 HA LYS 17 HA LYS 17 7.153 -8.337 4.785 133 HB2 LYS 17 2HB LYS 17 5.178 -7.149 5.749 134 HB3 LYS 17 3HB LYS 17 6.702 -6.754 6.533 135 HG2 LYS 17 2HG LYS 17 6.749 -4.732 4.942 136 HG3 LYS 17 3HG LYS 17 5.033 -5.072 4.707 137 HD2 LYS 17 2HD LYS 17 4.663 -3.851 6.537 138 HD3 LYS 17 3HD LYS 17 5.373 -5.180 7.457 139 HE2 LYS 17 2HE LYS 17 7.190 -3.171 6.221 140 HE3 LYS 17 3HE LYS 17 6.286 -2.711 7.663 141 HZ1 LYS 17 3HZ LYS 17 7.575 -3.973 8.949 142 HZ2 LYS 17 1HZ LYS 17 8.651 -4.029 7.645 143 HZ3 LYS 17 2HZ LYS 17 7.543 -5.284 7.880 144 H ASN 18 H ASN 18 5.394 -9.241 3.748 145 HA ASN 18 HA ASN 18 4.468 -7.828 1.333 146 HB2 ASN 18 2HB ASN 18 4.066 -10.532 0.846 147 HB3 ASN 18 3HB ASN 18 5.359 -9.538 0.182 148 HD21 ASN 18 2HD2 ASN 18 6.144 -12.474 2.800 149 HD22 ASN 18 1HD2 ASN 18 4.558 -12.138 2.201 150 H ASP 19 H ASP 19 3.448 -10.814 2.969 151 HA ASP 19 HA ASP 19 0.721 -10.454 2.532 152 HB2 ASP 19 2HB ASP 19 2.257 -12.060 4.563 153 HB3 ASP 19 3HB ASP 19 0.496 -12.059 4.537 154 H ALA 20 H ALA 20 2.132 -10.343 5.793 155 HA ALA 20 HA ALA 20 1.033 -7.754 6.360 156 HB1 ALA 20 1HB ALA 20 -0.974 -9.225 6.478 157 HB2 ALA 20 2HB ALA 20 -0.199 -10.094 7.803 158 HB3 ALA 20 3HB ALA 20 -0.605 -8.388 7.986 159 H GLY 21 H GLY 21 3.594 -8.358 6.545 160 HA2 GLY 21 2HA GLY 21 5.017 -7.637 8.393 161 HA3 GLY 21 3HA GLY 21 4.046 -8.652 9.449 162 H LYS 22 H LYS 22 4.198 -10.551 6.915 163 HA LYS 22 HA LYS 22 5.947 -12.413 7.963 164 HB2 LYS 22 2HB LYS 22 5.077 -11.964 5.107 165 HB3 LYS 22 3HB LYS 22 6.003 -13.368 5.622 166 HG2 LYS 22 2HG LYS 22 3.330 -12.617 6.779 167 HG3 LYS 22 3HG LYS 22 3.542 -13.736 5.431 168 HD2 LYS 22 2HD LYS 22 3.738 -15.346 6.964 169 HD3 LYS 22 3HD LYS 22 5.319 -14.658 7.342 170 HE2 LYS 22 2HE LYS 22 4.553 -13.584 9.221 171 HE3 LYS 22 3HE LYS 22 2.902 -13.471 8.613 172 HZ1 LYS 22 3HZ LYS 22 3.930 -16.147 9.133 173 HZ2 LYS 22 1HZ LYS 22 2.380 -15.515 9.381 174 HZ3 LYS 22 2HZ LYS 22 3.617 -15.182 10.486 175 H ASP 23 H ASP 23 8.000 -11.963 8.479 176 HA ASP 23 HA ASP 23 9.680 -10.122 7.240 177 HB2 ASP 23 2HB ASP 23 11.542 -11.422 8.343 178 HB3 ASP 23 3HB ASP 23 10.244 -10.915 9.421 179 H THR 24 H THR 24 9.902 -10.208 5.066 180 HA THR 24 HA THR 24 10.954 -12.712 3.918 181 HB THR 24 HB THR 24 9.365 -10.549 2.523 182 HG1 THR 24 HG1 THR 24 8.668 -13.259 3.065 183 HG21 THR 24 3HG2 THR 24 10.188 -11.344 0.613 184 HG22 THR 24 1HG2 THR 24 9.516 -12.928 1.001 185 HG23 THR 24 2HG2 THR 24 11.160 -12.522 1.495 186 H PHE 25 H PHE 25 12.995 -12.636 3.271 187 HA PHE 25 HA PHE 25 14.270 -10.027 2.898 188 HB2 PHE 25 2HB PHE 25 15.481 -12.782 3.208 189 HB3 PHE 25 3HB PHE 25 16.396 -11.287 3.048 190 HD1 PHE 25 HD1 PHE 25 14.017 -13.108 5.212 191 HD2 PHE 25 HD2 PHE 25 16.813 -9.914 4.908 192 HE1 PHE 25 HE1 PHE 25 13.925 -12.800 7.652 193 HE2 PHE 25 HE2 PHE 25 16.727 -9.602 7.347 194 HZ PHE 25 HZ PHE 25 15.283 -11.046 8.722 195 H ILE 26 H ILE 26 15.223 -9.401 1.013 196 HA ILE 26 HA ILE 26 15.324 -11.275 -1.225 197 HB ILE 26 HB ILE 26 13.143 -10.240 -1.477 198 HG12 ILE 26 2HG1 ILE 26 13.436 -9.256 -3.721 199 HG13 ILE 26 3HG1 ILE 26 15.163 -9.098 -3.420 200 HG21 ILE 26 1HG2 ILE 26 12.731 -8.143 -0.881 201 HG22 ILE 26 2HG2 ILE 26 14.427 -7.969 -0.434 202 HG23 ILE 26 3HG2 ILE 26 13.896 -7.541 -2.060 203 HD11 ILE 26 3HD1 ILE 26 14.036 -11.165 -4.715 204 HD12 ILE 26 1HD1 ILE 26 15.561 -11.265 -3.836 205 HD13 ILE 26 2HD1 ILE 26 14.065 -11.799 -3.070 206 H LYS 27 H LYS 27 17.196 -11.088 -2.252 207 HA LYS 27 HA LYS 27 19.162 -9.222 -1.559 208 HB2 LYS 27 2HB LYS 27 18.967 -10.845 -4.104 209 HB3 LYS 27 3HB LYS 27 20.424 -10.093 -3.467 210 HG2 LYS 27 2HG LYS 27 20.843 -12.028 -2.468 211 HG3 LYS 27 3HG LYS 27 19.513 -11.649 -1.370 212 HD2 LYS 27 2HD LYS 27 18.979 -13.774 -2.170 213 HD3 LYS 27 3HD LYS 27 18.005 -12.697 -3.173 214 HE2 LYS 27 2HE LYS 27 18.944 -14.217 -4.685 215 HE3 LYS 27 3HE LYS 27 19.947 -12.774 -4.830 216 HZ1 LYS 27 3HZ LYS 27 20.606 -15.392 -3.714 217 HZ2 LYS 27 1HZ LYS 27 21.311 -14.039 -2.982 218 HZ3 LYS 27 2HZ LYS 27 21.559 -14.335 -4.628 219 H CYS 28 H CYS 28 20.310 -8.186 -3.767 220 HA CYS 28 HA CYS 28 18.310 -6.229 -4.680 221 HB2 CYS 28 2HB CYS 28 20.235 -5.381 -3.309 222 HB3 CYS 28 3HB CYS 28 21.314 -5.895 -4.602 223 HA PRO 29 HA PRO 29 19.273 -8.600 -8.490 224 HB2 PRO 29 2HB PRO 29 16.802 -8.272 -9.565 225 HB3 PRO 29 3HB PRO 29 17.185 -9.554 -8.411 226 HG2 PRO 29 2HG PRO 29 15.853 -6.915 -7.938 227 HG3 PRO 29 3HG PRO 29 15.431 -8.513 -7.293 228 HD2 PRO 29 2HD PRO 29 16.799 -6.674 -5.850 229 HD3 PRO 29 3HD PRO 29 17.054 -8.421 -5.659 230 H LYS 30 H LYS 30 18.185 -5.398 -7.820 231 HA LYS 30 HA LYS 30 18.024 -4.344 -10.416 232 HB2 LYS 30 2HB LYS 30 18.030 -3.340 -7.717 233 HB3 LYS 30 3HB LYS 30 19.036 -2.319 -8.736 234 HG2 LYS 30 2HG LYS 30 17.089 -2.228 -10.345 235 HG3 LYS 30 3HG LYS 30 16.123 -2.970 -9.067 236 HD2 LYS 30 2HD LYS 30 17.141 -1.012 -7.627 237 HD3 LYS 30 3HD LYS 30 17.330 -0.249 -9.207 238 HE2 LYS 30 2HE LYS 30 14.722 -1.457 -8.342 239 HE3 LYS 30 3HE LYS 30 15.164 0.192 -7.903 240 HZ1 LYS 30 3HZ LYS 30 15.550 -0.354 -10.688 241 HZ2 LYS 30 1HZ LYS 30 14.712 0.913 -9.944 242 HZ3 LYS 30 2HZ LYS 30 13.942 -0.569 -10.209 243 H PHE 31 H PHE 31 20.696 -3.843 -8.104 244 HA PHE 31 HA PHE 31 22.551 -3.893 -10.393 245 HB2 PHE 31 2HB PHE 31 23.497 -2.342 -8.113 246 HB3 PHE 31 3HB PHE 31 23.436 -1.909 -9.818 247 HD1 PHE 31 HD1 PHE 31 21.755 -0.494 -10.657 248 HD2 PHE 31 HD2 PHE 31 21.461 -2.032 -6.699 249 HE1 PHE 31 HE1 PHE 31 19.894 1.050 -10.199 250 HE2 PHE 31 HE2 PHE 31 19.599 -0.492 -6.235 251 HZ PHE 31 HZ PHE 31 18.813 1.052 -7.986 252 H ASP 32 H ASP 32 23.794 -5.632 -10.274 253 HA ASP 32 HA ASP 32 24.191 -7.081 -7.839 254 HB2 ASP 32 2HB ASP 32 25.788 -8.435 -9.300 255 HB3 ASP 32 3HB ASP 32 24.100 -8.397 -9.802 256 H ASN 33 H ASN 33 25.616 -4.338 -9.070 257 HA ASN 33 HA ASN 33 28.153 -4.869 -7.672 258 HB2 ASN 33 2HB ASN 33 28.037 -4.195 -10.210 259 HB3 ASN 33 3HB ASN 33 27.807 -2.573 -9.564 260 HD21 ASN 33 2HD2 ASN 33 31.321 -4.468 -8.650 261 HD22 ASN 33 1HD2 ASN 33 29.834 -5.348 -8.673 262 H LYS 34 H LYS 34 25.289 -2.997 -7.694 263 HA LYS 34 HA LYS 34 26.398 -1.238 -5.605 264 HB2 LYS 34 2HB LYS 34 23.993 -0.588 -7.301 265 HB3 LYS 34 3HB LYS 34 24.928 0.499 -6.282 266 HG2 LYS 34 2HG LYS 34 25.939 -0.816 -8.795 267 HG3 LYS 34 3HG LYS 34 25.352 0.844 -8.674 268 HD2 LYS 34 2HD LYS 34 27.241 0.605 -6.641 269 HD3 LYS 34 3HD LYS 34 27.947 -0.251 -8.014 270 HE2 LYS 34 2HE LYS 34 28.662 1.958 -8.283 271 HE3 LYS 34 3HE LYS 34 27.298 1.808 -9.390 272 HZ1 LYS 34 3HZ LYS 34 27.525 3.814 -7.712 273 HZ2 LYS 34 1HZ LYS 34 26.729 2.734 -6.681 274 HZ3 LYS 34 2HZ LYS 34 26.017 3.182 -8.148 275 H LYS 35 H LYS 35 25.347 -3.862 -5.153 276 HA LYS 35 HA LYS 35 22.658 -3.690 -4.211 277 HB2 LYS 35 2HB LYS 35 23.141 -5.889 -3.164 278 HB3 LYS 35 3HB LYS 35 23.550 -5.834 -4.873 279 HG2 LYS 35 2HG LYS 35 25.910 -5.112 -3.733 280 HG3 LYS 35 3HG LYS 35 25.263 -6.236 -2.535 281 HD2 LYS 35 2HD LYS 35 25.058 -7.080 -5.358 282 HD3 LYS 35 3HD LYS 35 26.688 -7.007 -4.684 283 HE2 LYS 35 2HE LYS 35 25.610 -8.309 -2.694 284 HE3 LYS 35 3HE LYS 35 24.372 -8.717 -3.881 285 HZ1 LYS 35 3HZ LYS 35 26.223 -10.352 -3.691 286 HZ2 LYS 35 1HZ LYS 35 27.268 -9.180 -4.320 287 HZ3 LYS 35 2HZ LYS 35 25.982 -9.755 -5.255 288 H CYS 36 H CYS 36 22.178 -4.307 -1.857 289 HA CYS 36 HA CYS 36 22.854 -2.234 -0.174 290 HB2 CYS 36 2HB CYS 36 21.703 -4.949 0.227 291 HB3 CYS 36 3HB CYS 36 22.269 -4.093 1.658 292 H THR 37 H THR 37 24.761 -1.659 0.609 293 HA THR 37 HA THR 37 26.640 -3.774 1.439 294 HB THR 37 HB THR 37 28.463 -2.080 0.960 295 HG1 THR 37 HG1 THR 37 27.911 -0.374 -0.421 296 HG21 THR 37 3HG2 THR 37 28.733 -3.404 -0.810 297 HG22 THR 37 1HG2 THR 37 27.605 -2.391 -1.711 298 HG23 THR 37 2HG2 THR 37 27.013 -3.793 -0.820 299 H LYS 38 H LYS 38 24.786 -2.860 3.232 300 HA LYS 38 HA LYS 38 26.478 -1.778 5.285 301 HB2 LYS 38 2HB LYS 38 24.763 -0.009 3.791 302 HB3 LYS 38 3HB LYS 38 24.237 -0.081 5.468 303 HG2 LYS 38 2HG LYS 38 27.133 0.288 4.923 304 HG3 LYS 38 3HG LYS 38 26.045 1.652 4.654 305 HD2 LYS 38 2HD LYS 38 25.425 0.389 7.155 306 HD3 LYS 38 3HD LYS 38 27.147 0.774 7.090 307 HE2 LYS 38 2HE LYS 38 26.158 2.697 7.980 308 HE3 LYS 38 3HE LYS 38 26.410 3.086 6.279 309 HZ1 LYS 38 3HZ LYS 38 24.088 2.529 5.857 310 HZ2 LYS 38 1HZ LYS 38 24.219 3.765 7.005 311 HZ3 LYS 38 2HZ LYS 38 23.854 2.189 7.497 312 H ASP 39 H ASP 39 25.460 -1.817 7.397 313 HA ASP 39 HA ASP 39 23.464 -3.936 7.555 314 HB2 ASP 39 2HB ASP 39 24.003 -3.781 10.045 315 HB3 ASP 39 3HB ASP 39 25.305 -4.323 8.989 316 H ASN 40 H ASN 40 21.383 -3.520 7.836 317 HA ASN 40 HA ASN 40 19.433 -2.491 8.398 318 HB2 ASN 40 2HB ASN 40 21.020 -0.764 10.296 319 HB3 ASN 40 3HB ASN 40 19.326 -1.230 10.414 320 HD21 ASN 40 2HD2 ASN 40 21.757 -3.267 12.561 321 HD22 ASN 40 1HD2 ASN 40 21.772 -1.587 12.158 322 H ASN 41 H ASN 41 20.913 -1.520 6.186 323 HA ASN 41 HA ASN 41 20.943 1.342 6.205 324 HB2 ASN 41 2HB ASN 41 21.403 1.140 3.799 325 HB3 ASN 41 3HB ASN 41 22.437 0.067 4.737 326 HD21 ASN 41 2HD2 ASN 41 21.289 -2.852 3.270 327 HD22 ASN 41 1HD2 ASN 41 22.308 -2.097 4.444 328 H LYS 42 H LYS 42 19.778 2.128 3.881 329 HA LYS 42 HA LYS 42 16.926 1.753 4.473 330 HB2 LYS 42 2HB LYS 42 18.101 4.068 4.470 331 HB3 LYS 42 3HB LYS 42 18.035 3.925 2.718 332 HG2 LYS 42 2HG LYS 42 15.490 3.374 4.042 333 HG3 LYS 42 3HG LYS 42 16.094 5.013 4.293 334 HD2 LYS 42 2HD LYS 42 16.460 5.087 1.771 335 HD3 LYS 42 3HD LYS 42 15.475 3.624 1.698 336 HE2 LYS 42 2HE LYS 42 14.418 5.947 3.221 337 HE3 LYS 42 3HE LYS 42 14.423 6.047 1.461 338 HZ1 LYS 42 3HZ LYS 42 12.753 4.484 3.199 339 HZ2 LYS 42 1HZ LYS 42 13.417 3.580 1.933 340 HZ3 LYS 42 2HZ LYS 42 12.498 4.959 1.596 341 H CYS 43 H CYS 43 16.029 0.236 3.237 342 HA CYS 43 HA CYS 43 16.308 0.453 0.342 343 HB2 CYS 43 2HB CYS 43 16.838 -1.857 0.005 344 HB3 CYS 43 3HB CYS 43 18.007 -1.215 1.155 345 H THR 44 H THR 44 14.503 -0.161 -0.782 346 HA THR 44 HA THR 44 12.208 -1.046 0.843 347 HB THR 44 HB THR 44 10.741 0.144 -0.695 348 HG1 THR 44 HG1 THR 44 11.851 0.108 -2.616 349 HG21 THR 44 3HG2 THR 44 11.087 2.252 0.163 350 HG22 THR 44 1HG2 THR 44 12.833 2.176 -0.062 351 HG23 THR 44 2HG2 THR 44 12.076 1.289 1.261 352 H VAL 45 H VAL 45 10.486 -2.164 -0.469 353 HA VAL 45 HA VAL 45 11.596 -3.733 -2.687 354 HB VAL 45 HB VAL 45 10.074 -4.962 -0.385 355 HG11 VAL 45 1HG1 VAL 45 11.104 -5.988 -2.989 356 HG12 VAL 45 2HG1 VAL 45 11.060 -7.066 -1.592 357 HG13 VAL 45 3HG1 VAL 45 9.574 -6.315 -2.176 358 HG21 VAL 45 3HG2 VAL 45 12.386 -6.184 -0.185 359 HG22 VAL 45 1HG2 VAL 45 12.989 -4.720 -0.962 360 HG23 VAL 45 2HG2 VAL 45 12.133 -4.614 0.576 361 H ASP 46 H ASP 46 10.265 -3.768 -4.370 362 HA ASP 46 HA ASP 46 7.497 -2.900 -3.997 363 HB2 ASP 46 2HB ASP 46 9.476 -2.497 -6.026 364 HB3 ASP 46 3HB ASP 46 8.081 -3.296 -6.746 365 H THR 47 H THR 47 5.875 -4.300 -4.004 366 HA THR 47 HA THR 47 6.379 -7.039 -4.919 367 HB THR 47 HB THR 47 5.520 -6.696 -2.602 368 HG1 THR 47 HG1 THR 47 3.708 -8.064 -4.329 369 HG21 THR 47 3HG2 THR 47 3.157 -6.099 -2.306 370 HG22 THR 47 1HG2 THR 47 3.025 -5.773 -4.034 371 HG23 THR 47 2HG2 THR 47 4.072 -4.774 -3.025 372 H TYR 48 H TYR 48 5.713 -4.648 -6.636 373 HA TYR 48 HA TYR 48 3.339 -5.802 -7.947 374 HB2 TYR 48 2HB TYR 48 3.014 -3.516 -6.877 375 HB3 TYR 48 3HB TYR 48 4.127 -2.892 -8.090 376 HD1 TYR 48 HD1 TYR 48 3.480 -2.809 -10.448 377 HD2 TYR 48 HD2 TYR 48 0.770 -4.183 -7.469 378 HE1 TYR 48 HE1 TYR 48 1.619 -2.563 -12.036 379 HE2 TYR 48 HE2 TYR 48 -1.098 -3.941 -9.050 380 HH TYR 48 HH TYR 48 -1.728 -3.228 -11.062 381 H ASN 49 H ASN 49 6.477 -4.268 -8.333 382 HA ASN 49 HA ASN 49 6.581 -5.328 -11.075 383 HB2 ASN 49 2HB ASN 49 7.507 -3.369 -11.947 384 HB3 ASN 49 3HB ASN 49 6.270 -2.761 -10.851 385 HD21 ASN 49 2HD2 ASN 49 8.584 -1.505 -8.473 386 HD22 ASN 49 1HD2 ASN 49 7.027 -2.237 -8.634 387 H ASN 50 H ASN 50 7.691 -5.859 -8.178 388 HA ASN 50 HA ASN 50 9.598 -6.671 -7.232 389 HB2 ASN 50 2HB ASN 50 9.121 -8.264 -9.203 390 HB3 ASN 50 3HB ASN 50 10.463 -7.455 -10.007 391 HD21 ASN 50 2HD2 ASN 50 12.139 -10.232 -8.547 392 HD22 ASN 50 1HD2 ASN 50 11.212 -9.758 -9.925 393 H ALA 51 H ALA 51 10.162 -4.337 -6.917 394 HA ALA 51 HA ALA 51 12.746 -3.786 -8.208 395 HB1 ALA 51 1HB ALA 51 12.163 -1.349 -8.130 396 HB2 ALA 51 2HB ALA 51 11.234 -2.300 -9.288 397 HB3 ALA 51 3HB ALA 51 10.507 -1.825 -7.753 398 H VAL 52 H VAL 52 14.348 -3.337 -6.828 399 HA VAL 52 HA VAL 52 13.636 -2.846 -4.012 400 HB VAL 52 HB VAL 52 14.833 -4.957 -4.365 401 HG11 VAL 52 1HG1 VAL 52 16.707 -3.175 -5.823 402 HG12 VAL 52 2HG1 VAL 52 17.387 -4.534 -4.927 403 HG13 VAL 52 3HG1 VAL 52 16.190 -4.820 -6.191 404 HG21 VAL 52 3HG2 VAL 52 15.144 -3.663 -2.281 405 HG22 VAL 52 1HG2 VAL 52 16.551 -4.644 -2.693 406 HG23 VAL 52 2HG2 VAL 52 16.569 -2.906 -2.992 407 H ASP 53 H ASP 53 14.841 -1.334 -2.812 408 HA ASP 53 HA ASP 53 16.307 0.622 -4.460 409 HB2 ASP 53 2HB ASP 53 14.017 1.228 -3.335 410 HB3 ASP 53 3HB ASP 53 14.991 1.372 -1.874 411 H CYS 54 H CYS 54 17.749 -1.456 -3.500 412 HA CYS 54 HA CYS 54 18.820 -1.238 -0.938 413 HB2 CYS 54 2HB CYS 54 20.833 -2.395 -1.937 414 HB3 CYS 54 3HB CYS 54 19.291 -3.199 -2.210 415 H ASP 55 H ASP 55 20.424 -0.052 -0.025 416 HA ASP 55 HA ASP 55 21.082 2.451 -1.188 417 HB2 ASP 55 2HB ASP 55 21.440 1.125 1.364 418 HB3 ASP 55 3HB ASP 55 22.895 2.001 0.896 Start of MODEL 7 1 H1 ALA 1 H ALA 1 2.345 1.165 -3.982 2 HA ALA 1 HA ALA 1 1.697 -0.281 -1.719 3 HB1 ALA 1 1HB ALA 1 1.122 -2.413 -2.328 4 HB2 ALA 1 2HB ALA 1 0.311 -1.489 -3.593 5 HB3 ALA 1 3HB ALA 1 1.855 -2.274 -3.926 6 H LYS 2 H LYS 2 3.672 -0.041 -0.882 7 HA LYS 2 HA LYS 2 5.891 -1.443 -2.119 8 HB2 LYS 2 2HB LYS 2 5.632 1.257 -2.622 9 HB3 LYS 2 3HB LYS 2 6.723 1.223 -1.242 10 HG2 LYS 2 2HG LYS 2 7.438 -0.728 -3.271 11 HG3 LYS 2 3HG LYS 2 7.425 0.927 -3.886 12 HD2 LYS 2 2HD LYS 2 8.734 0.416 -1.265 13 HD3 LYS 2 3HD LYS 2 9.567 -0.118 -2.727 14 HE2 LYS 2 2HE LYS 2 10.277 1.957 -3.065 15 HE3 LYS 2 3HE LYS 2 8.605 2.497 -3.209 16 HZ1 LYS 2 3HZ LYS 2 8.700 3.470 -1.228 17 HZ2 LYS 2 1HZ LYS 2 10.376 3.242 -1.273 18 HZ3 LYS 2 2HZ LYS 2 9.390 2.114 -0.488 19 H TYR 3 H TYR 3 7.631 -1.851 -0.673 20 HA TYR 3 HA TYR 3 6.938 -1.411 2.158 21 HB2 TYR 3 2HB TYR 3 8.465 -3.755 1.011 22 HB3 TYR 3 3HB TYR 3 7.956 -3.547 2.683 23 HD1 TYR 3 HD1 TYR 3 5.322 -3.151 2.946 24 HD2 TYR 3 HD2 TYR 3 7.189 -5.134 -0.323 25 HE1 TYR 3 HE1 TYR 3 3.210 -4.311 2.452 26 HE2 TYR 3 HE2 TYR 3 5.082 -6.299 -0.827 27 HH TYR 3 HH TYR 3 3.012 -6.760 -0.091 28 H THR 4 H THR 4 8.597 -0.935 3.603 29 HA THR 4 HA THR 4 11.178 -0.217 2.373 30 HB THR 4 HB THR 4 9.715 1.278 4.557 31 HG1 THR 4 HG1 THR 4 9.888 2.961 2.838 32 HG21 THR 4 3HG2 THR 4 12.456 1.615 3.364 33 HG22 THR 4 1HG2 THR 4 12.009 1.476 5.064 34 HG23 THR 4 2HG2 THR 4 11.611 2.940 4.164 35 H GLY 5 H GLY 5 13.005 -0.837 3.414 36 HA2 GLY 5 2HA GLY 5 12.976 -1.619 6.191 37 HA3 GLY 5 3HA GLY 5 13.135 -2.972 5.082 38 H LYS 6 H LYS 6 15.205 -3.410 5.979 39 HA LYS 6 HA LYS 6 17.301 -1.718 4.819 40 HB2 LYS 6 2HB LYS 6 17.607 -2.903 7.569 41 HB3 LYS 6 3HB LYS 6 18.593 -1.668 6.796 42 HG2 LYS 6 2HG LYS 6 17.395 -0.348 8.193 43 HG3 LYS 6 3HG LYS 6 16.295 -0.351 6.812 44 HD2 LYS 6 2HD LYS 6 14.728 -1.050 8.242 45 HD3 LYS 6 3HD LYS 6 15.560 -2.607 8.223 46 HE2 LYS 6 2HE LYS 6 16.918 -1.892 10.136 47 HE3 LYS 6 3HE LYS 6 16.072 -0.346 10.156 48 HZ1 LYS 6 3HZ LYS 6 15.336 -2.334 11.683 49 HZ2 LYS 6 1HZ LYS 6 14.465 -2.786 10.305 50 HZ3 LYS 6 2HZ LYS 6 14.200 -1.274 11.015 51 H CYS 7 H CYS 7 19.251 -2.804 4.330 52 HA CYS 7 HA CYS 7 18.938 -5.724 4.138 53 HB2 CYS 7 2HB CYS 7 21.062 -4.493 2.531 54 HB3 CYS 7 3HB CYS 7 19.815 -5.644 2.060 55 H THR 8 H THR 8 21.499 -6.489 3.618 56 HA THR 8 HA THR 8 23.134 -5.524 5.850 57 HB THR 8 HB THR 8 23.204 -8.447 5.532 58 HG1 THR 8 HG1 THR 8 21.204 -8.855 6.190 59 HG21 THR 8 3HG2 THR 8 23.013 -6.558 7.879 60 HG22 THR 8 1HG2 THR 8 24.461 -7.367 7.280 61 HG23 THR 8 2HG2 THR 8 23.166 -8.309 8.021 62 H LYS 9 H LYS 9 25.145 -5.158 5.200 63 HA LYS 9 HA LYS 9 26.050 -5.696 2.599 64 HB2 LYS 9 2HB LYS 9 28.151 -4.796 3.292 65 HB3 LYS 9 3HB LYS 9 26.896 -3.890 4.127 66 HG2 LYS 9 2HG LYS 9 28.173 -4.246 5.930 67 HG3 LYS 9 3HG LYS 9 27.404 -5.835 5.938 68 HD2 LYS 9 2HD LYS 9 29.364 -6.455 4.315 69 HD3 LYS 9 3HD LYS 9 30.144 -5.051 5.045 70 HE2 LYS 9 2HE LYS 9 30.003 -6.008 7.221 71 HE3 LYS 9 3HE LYS 9 28.954 -7.304 6.649 72 HZ1 LYS 9 3HZ LYS 9 31.827 -6.913 6.024 73 HZ2 LYS 9 1HZ LYS 9 30.845 -8.043 5.236 74 HZ3 LYS 9 2HZ LYS 9 31.129 -8.183 6.897 75 H SER 10 H SER 10 25.918 -7.682 5.360 76 HA SER 10 HA SER 10 28.119 -9.332 5.135 77 HB2 SER 10 2HB SER 10 25.285 -9.881 5.994 78 HB3 SER 10 3HB SER 10 26.511 -11.149 6.014 79 HG SER 10 HG SER 10 26.365 -10.063 8.023 80 H LYS 11 H LYS 11 24.943 -10.435 3.993 81 HA LYS 11 HA LYS 11 26.263 -11.499 1.584 82 HB2 LYS 11 2HB LYS 11 25.351 -13.077 3.580 83 HB3 LYS 11 3HB LYS 11 23.889 -12.938 2.612 84 HG2 LYS 11 2HG LYS 11 24.972 -13.864 0.704 85 HG3 LYS 11 3HG LYS 11 26.549 -13.791 1.494 86 HD2 LYS 11 2HD LYS 11 25.498 -15.331 3.267 87 HD3 LYS 11 3HD LYS 11 24.237 -15.618 2.065 88 HE2 LYS 11 2HE LYS 11 25.640 -16.758 0.667 89 HE3 LYS 11 3HE LYS 11 27.068 -15.873 1.202 90 HZ1 LYS 11 3HZ LYS 11 27.449 -17.319 2.865 91 HZ2 LYS 11 1HZ LYS 11 26.547 -18.381 1.905 92 HZ3 LYS 11 2HZ LYS 11 25.809 -17.571 3.193 93 H ASN 12 H ASN 12 24.384 -9.134 2.446 94 HA ASN 12 HA ASN 12 22.845 -7.838 1.382 95 HB2 ASN 12 2HB ASN 12 24.206 -9.056 -0.661 96 HB3 ASN 12 3HB ASN 12 22.544 -9.524 -1.009 97 HD21 ASN 12 2HD2 ASN 12 22.326 -6.542 -2.780 98 HD22 ASN 12 1HD2 ASN 12 22.386 -8.268 -2.831 99 H GLU 13 H GLU 13 20.781 -7.773 1.955 100 HA GLU 13 HA GLU 13 18.787 -9.520 1.094 101 HB2 GLU 13 2HB GLU 13 20.305 -10.743 3.045 102 HB3 GLU 13 3HB GLU 13 18.955 -10.085 3.959 103 HG2 GLU 13 2HG GLU 13 17.432 -11.199 2.292 104 HG3 GLU 13 3HG GLU 13 18.859 -12.023 1.667 105 H CYS 14 H CYS 14 17.670 -7.611 0.817 106 HA CYS 14 HA CYS 14 17.280 -5.744 2.955 107 HB2 CYS 14 2HB CYS 14 17.283 -5.096 0.550 108 HB3 CYS 14 3HB CYS 14 15.772 -5.976 0.343 109 H LYS 15 H LYS 15 15.908 -5.962 4.582 110 HA LYS 15 HA LYS 15 13.887 -8.022 4.549 111 HB2 LYS 15 2HB LYS 15 15.320 -7.427 6.551 112 HB3 LYS 15 3HB LYS 15 14.367 -5.956 6.697 113 HG2 LYS 15 2HG LYS 15 12.778 -8.408 6.522 114 HG3 LYS 15 3HG LYS 15 13.817 -8.303 7.945 115 HD2 LYS 15 2HD LYS 15 12.025 -6.040 7.107 116 HD3 LYS 15 3HD LYS 15 11.456 -7.350 8.144 117 HE2 LYS 15 2HE LYS 15 13.714 -6.714 9.437 118 HE3 LYS 15 3HE LYS 15 13.346 -5.147 8.718 119 HZ1 LYS 15 3HZ LYS 15 11.715 -4.825 10.169 120 HZ2 LYS 15 1HZ LYS 15 12.272 -6.179 11.016 121 HZ3 LYS 15 2HZ LYS 15 11.034 -6.345 9.876 122 H TYR 16 H TYR 16 11.641 -7.600 5.138 123 HA TYR 16 HA TYR 16 10.478 -5.039 5.043 124 HB2 TYR 16 2HB TYR 16 9.544 -4.937 2.861 125 HB3 TYR 16 3HB TYR 16 11.252 -5.303 2.639 126 HD1 TYR 16 HD1 TYR 16 7.930 -6.270 1.843 127 HD2 TYR 16 HD2 TYR 16 11.869 -7.801 2.338 128 HE1 TYR 16 HE1 TYR 16 7.326 -8.241 0.502 129 HE2 TYR 16 HE2 TYR 16 11.276 -9.776 0.998 130 HH TYR 16 HH TYR 16 9.710 -10.775 -0.215 131 H LYS 17 H LYS 17 7.996 -5.524 4.041 132 HA LYS 17 HA LYS 17 7.079 -7.892 5.536 133 HB2 LYS 17 2HB LYS 17 5.022 -6.565 6.078 134 HB3 LYS 17 3HB LYS 17 6.493 -5.971 6.839 135 HG2 LYS 17 2HG LYS 17 6.643 -4.338 4.889 136 HG3 LYS 17 3HG LYS 17 4.974 -4.794 4.537 137 HD2 LYS 17 2HD LYS 17 5.461 -4.141 7.348 138 HD3 LYS 17 3HD LYS 17 5.746 -2.796 6.241 139 HE2 LYS 17 2HE LYS 17 3.562 -2.573 5.762 140 HE3 LYS 17 3HE LYS 17 3.300 -4.315 5.695 141 HZ1 LYS 17 3HZ LYS 17 2.088 -3.196 7.514 142 HZ2 LYS 17 1HZ LYS 17 3.567 -2.765 8.212 143 HZ3 LYS 17 2HZ LYS 17 3.145 -4.396 8.066 144 H ASN 18 H ASN 18 5.624 -9.195 4.555 145 HA ASN 18 HA ASN 18 4.371 -8.272 2.067 146 HB2 ASN 18 2HB ASN 18 5.164 -10.004 0.778 147 HB3 ASN 18 3HB ASN 18 6.541 -9.780 1.854 148 HD21 ASN 18 2HD2 ASN 18 5.578 -12.682 3.849 149 HD22 ASN 18 1HD2 ASN 18 5.901 -11.003 4.104 150 H ASP 19 H ASP 19 2.593 -9.729 1.357 151 HA ASP 19 HA ASP 19 0.679 -10.914 1.721 152 HB2 ASP 19 2HB ASP 19 2.583 -12.155 3.432 153 HB3 ASP 19 3HB ASP 19 1.074 -12.011 4.330 154 H ALA 20 H ALA 20 1.617 -10.079 5.054 155 HA ALA 20 HA ALA 20 -0.244 -7.911 5.216 156 HB1 ALA 20 1HB ALA 20 -1.771 -8.885 6.835 157 HB2 ALA 20 2HB ALA 20 -1.805 -9.801 5.328 158 HB3 ALA 20 3HB ALA 20 -0.930 -10.432 6.723 159 H GLY 21 H GLY 21 2.559 -8.414 5.757 160 HA2 GLY 21 2HA GLY 21 3.667 -7.040 7.466 161 HA3 GLY 21 3HA GLY 21 2.581 -7.770 8.640 162 H LYS 22 H LYS 22 3.518 -10.073 6.418 163 HA LYS 22 HA LYS 22 5.039 -11.522 8.328 164 HB2 LYS 22 2HB LYS 22 3.950 -11.969 5.680 165 HB3 LYS 22 3HB LYS 22 5.570 -12.639 5.819 166 HG2 LYS 22 2HG LYS 22 4.447 -13.500 8.133 167 HG3 LYS 22 3HG LYS 22 3.055 -13.505 7.048 168 HD2 LYS 22 2HD LYS 22 3.948 -15.630 6.758 169 HD3 LYS 22 3HD LYS 22 4.638 -14.728 5.407 170 HE2 LYS 22 2HE LYS 22 6.436 -14.338 7.483 171 HE3 LYS 22 3HE LYS 22 5.953 -16.025 7.643 172 HZ1 LYS 22 3HZ LYS 22 7.788 -14.979 5.868 173 HZ2 LYS 22 1HZ LYS 22 6.441 -15.385 4.928 174 HZ3 LYS 22 2HZ LYS 22 7.181 -16.558 5.896 175 H ASP 23 H ASP 23 7.156 -11.529 8.730 176 HA ASP 23 HA ASP 23 8.879 -9.632 7.508 177 HB2 ASP 23 2HB ASP 23 9.620 -11.971 9.278 178 HB3 ASP 23 3HB ASP 23 10.614 -10.555 8.946 179 H THR 24 H THR 24 9.769 -9.813 5.571 180 HA THR 24 HA THR 24 10.758 -12.446 4.710 181 HB THR 24 HB THR 24 9.307 -10.467 2.940 182 HG1 THR 24 HG1 THR 24 8.585 -12.977 4.058 183 HG21 THR 24 3HG2 THR 24 9.534 -12.184 1.203 184 HG22 THR 24 1HG2 THR 24 10.490 -13.174 2.305 185 HG23 THR 24 2HG2 THR 24 11.110 -11.617 1.755 186 H PHE 25 H PHE 25 12.635 -12.442 3.484 187 HA PHE 25 HA PHE 25 14.010 -9.843 3.298 188 HB2 PHE 25 2HB PHE 25 15.342 -12.532 3.644 189 HB3 PHE 25 3HB PHE 25 16.096 -10.945 3.749 190 HD1 PHE 25 HD1 PHE 25 13.802 -13.291 5.422 191 HD2 PHE 25 HD2 PHE 25 16.034 -9.681 5.753 192 HE1 PHE 25 HE1 PHE 25 13.393 -13.265 7.848 193 HE2 PHE 25 HE2 PHE 25 15.629 -9.650 8.180 194 HZ PHE 25 HZ PHE 25 14.308 -11.444 9.231 195 H ILE 26 H ILE 26 14.935 -9.279 1.400 196 HA ILE 26 HA ILE 26 15.143 -11.281 -0.727 197 HB ILE 26 HB ILE 26 12.972 -10.197 -1.061 198 HG12 ILE 26 2HG1 ILE 26 13.314 -9.477 -3.383 199 HG13 ILE 26 3HG1 ILE 26 15.039 -9.298 -3.082 200 HG21 ILE 26 1HG2 ILE 26 13.598 -8.063 0.069 201 HG22 ILE 26 2HG2 ILE 26 14.492 -7.617 -1.383 202 HG23 ILE 26 3HG2 ILE 26 12.745 -7.850 -1.460 203 HD11 ILE 26 3HD1 ILE 26 15.427 -11.494 -3.288 204 HD12 ILE 26 1HD1 ILE 26 13.935 -11.944 -2.463 205 HD13 ILE 26 2HD1 ILE 26 13.898 -11.484 -4.166 206 H LYS 27 H LYS 27 17.011 -11.136 -1.782 207 HA LYS 27 HA LYS 27 19.008 -9.300 -1.083 208 HB2 LYS 27 2HB LYS 27 20.314 -10.263 -2.869 209 HB3 LYS 27 3HB LYS 27 19.418 -11.545 -2.065 210 HG2 LYS 27 2HG LYS 27 18.700 -12.182 -4.059 211 HG3 LYS 27 3HG LYS 27 17.754 -10.694 -4.129 212 HD2 LYS 27 2HD LYS 27 18.951 -10.281 -5.986 213 HD3 LYS 27 3HD LYS 27 20.219 -9.799 -4.855 214 HE2 LYS 27 2HE LYS 27 21.525 -11.434 -5.596 215 HE3 LYS 27 3HE LYS 27 20.303 -12.629 -5.165 216 HZ1 LYS 27 3HZ LYS 27 19.604 -12.803 -7.280 217 HZ2 LYS 27 1HZ LYS 27 21.142 -12.205 -7.654 218 HZ3 LYS 27 2HZ LYS 27 19.814 -11.159 -7.618 219 H CYS 28 H CYS 28 20.197 -8.380 -3.357 220 HA CYS 28 HA CYS 28 18.249 -6.396 -4.331 221 HB2 CYS 28 2HB CYS 28 20.419 -5.800 -2.909 222 HB3 CYS 28 3HB CYS 28 21.181 -5.884 -4.495 223 HA PRO 29 HA PRO 29 19.511 -8.944 -7.996 224 HB2 PRO 29 2HB PRO 29 17.005 -9.116 -9.027 225 HB3 PRO 29 3HB PRO 29 17.627 -10.248 -7.820 226 HG2 PRO 29 2HG PRO 29 15.853 -7.866 -7.446 227 HG3 PRO 29 3HG PRO 29 15.733 -9.476 -6.714 228 HD2 PRO 29 2HD PRO 29 16.772 -7.350 -5.397 229 HD3 PRO 29 3HD PRO 29 17.337 -9.011 -5.125 230 H LYS 30 H LYS 30 17.841 -5.965 -7.470 231 HA LYS 30 HA LYS 30 17.464 -5.091 -10.103 232 HB2 LYS 30 2HB LYS 30 17.172 -4.016 -7.513 233 HB3 LYS 30 3HB LYS 30 18.209 -2.900 -8.391 234 HG2 LYS 30 2HG LYS 30 16.443 -3.012 -10.241 235 HG3 LYS 30 3HG LYS 30 15.401 -3.735 -9.014 236 HD2 LYS 30 2HD LYS 30 16.114 -1.683 -7.582 237 HD3 LYS 30 3HD LYS 30 16.555 -0.976 -9.138 238 HE2 LYS 30 2HE LYS 30 14.430 -0.445 -9.495 239 HE3 LYS 30 3HE LYS 30 13.989 -2.150 -9.415 240 HZ1 LYS 30 3HZ LYS 30 12.957 -0.419 -7.775 241 HZ2 LYS 30 1HZ LYS 30 14.383 -0.688 -6.905 242 HZ3 LYS 30 2HZ LYS 30 13.345 -1.979 -7.248 243 H PHE 31 H PHE 31 20.049 -3.995 -7.901 244 HA PHE 31 HA PHE 31 21.757 -3.592 -10.262 245 HB2 PHE 31 2HB PHE 31 22.541 -2.409 -7.659 246 HB3 PHE 31 3HB PHE 31 22.650 -1.735 -9.282 247 HD1 PHE 31 HD1 PHE 31 20.912 -0.387 -10.180 248 HD2 PHE 31 HD2 PHE 31 20.422 -2.304 -6.412 249 HE1 PHE 31 HE1 PHE 31 18.919 0.988 -9.744 250 HE2 PHE 31 HE2 PHE 31 18.427 -0.933 -5.970 251 HZ PHE 31 HZ PHE 31 17.673 0.715 -7.637 252 H ASP 32 H ASP 32 24.051 -4.045 -10.025 253 HA ASP 32 HA ASP 32 24.548 -6.266 -8.152 254 HB2 ASP 32 2HB ASP 32 24.572 -6.426 -10.873 255 HB3 ASP 32 3HB ASP 32 26.267 -6.081 -10.539 256 H ASN 33 H ASN 33 25.612 -3.214 -9.344 257 HA ASN 33 HA ASN 33 28.081 -3.427 -7.752 258 HB2 ASN 33 2HB ASN 33 27.532 -2.312 -10.377 259 HB3 ASN 33 3HB ASN 33 28.279 -1.123 -9.315 260 HD21 ASN 33 2HD2 ASN 33 31.224 -3.194 -8.836 261 HD22 ASN 33 1HD2 ASN 33 30.055 -2.358 -7.877 262 H LYS 34 H LYS 34 25.042 -1.909 -8.013 263 HA LYS 34 HA LYS 34 25.826 0.098 -6.001 264 HB2 LYS 34 2HB LYS 34 23.445 0.257 -7.852 265 HB3 LYS 34 3HB LYS 34 24.059 1.522 -6.795 266 HG2 LYS 34 2HG LYS 34 25.609 0.374 -9.104 267 HG3 LYS 34 3HG LYS 34 24.599 1.818 -9.211 268 HD2 LYS 34 2HD LYS 34 26.252 2.166 -6.961 269 HD3 LYS 34 3HD LYS 34 27.289 1.551 -8.250 270 HE2 LYS 34 2HE LYS 34 26.836 3.358 -9.642 271 HE3 LYS 34 3HE LYS 34 25.358 3.778 -8.778 272 HZ1 LYS 34 3HZ LYS 34 27.447 5.211 -8.440 273 HZ2 LYS 34 1HZ LYS 34 27.971 3.960 -7.429 274 HZ3 LYS 34 2HZ LYS 34 26.534 4.781 -7.082 275 H LYS 35 H LYS 35 24.895 -2.766 -5.749 276 HA LYS 35 HA LYS 35 22.269 -2.701 -4.645 277 HB2 LYS 35 2HB LYS 35 22.812 -4.967 -3.812 278 HB3 LYS 35 3HB LYS 35 23.168 -4.772 -5.524 279 HG2 LYS 35 2HG LYS 35 25.565 -4.164 -4.570 280 HG3 LYS 35 3HG LYS 35 25.004 -5.171 -3.233 281 HD2 LYS 35 2HD LYS 35 24.407 -6.917 -4.952 282 HD3 LYS 35 3HD LYS 35 25.266 -5.930 -6.137 283 HE2 LYS 35 2HE LYS 35 27.314 -6.393 -5.240 284 HE3 LYS 35 3HE LYS 35 26.675 -6.602 -3.610 285 HZ1 LYS 35 3HZ LYS 35 26.738 -8.534 -5.833 286 HZ2 LYS 35 1HZ LYS 35 25.581 -8.690 -4.608 287 HZ3 LYS 35 2HZ LYS 35 27.228 -8.739 -4.227 288 H CYS 36 H CYS 36 22.273 -3.914 -2.270 289 HA CYS 36 HA CYS 36 22.961 -1.822 -0.472 290 HB2 CYS 36 2HB CYS 36 21.770 -4.554 -0.199 291 HB3 CYS 36 3HB CYS 36 22.338 -3.720 1.244 292 H THR 37 H THR 37 24.939 -1.408 0.232 293 HA THR 37 HA THR 37 26.739 -3.677 0.787 294 HB THR 37 HB THR 37 28.606 -1.952 0.367 295 HG1 THR 37 HG1 THR 37 26.756 -0.278 0.140 296 HG21 THR 37 3HG2 THR 37 28.647 -3.577 -1.228 297 HG22 THR 37 1HG2 THR 37 28.119 -2.237 -2.245 298 HG23 THR 37 2HG2 THR 37 26.939 -3.390 -1.621 299 H LYS 38 H LYS 38 24.878 -2.390 2.608 300 HA LYS 38 HA LYS 38 26.797 -1.658 4.678 301 HB2 LYS 38 2HB LYS 38 25.169 0.261 3.361 302 HB3 LYS 38 3HB LYS 38 24.526 0.053 4.985 303 HG2 LYS 38 2HG LYS 38 27.453 0.486 4.541 304 HG3 LYS 38 3HG LYS 38 26.326 1.844 4.577 305 HD2 LYS 38 2HD LYS 38 25.578 0.450 6.796 306 HD3 LYS 38 3HD LYS 38 27.317 0.151 6.760 307 HE2 LYS 38 2HE LYS 38 27.832 2.414 6.946 308 HE3 LYS 38 3HE LYS 38 26.230 2.920 6.411 309 HZ1 LYS 38 3HZ LYS 38 26.472 3.274 8.768 310 HZ2 LYS 38 1HZ LYS 38 26.888 1.653 9.015 311 HZ3 LYS 38 2HZ LYS 38 25.328 2.057 8.501 312 H ASP 39 H ASP 39 25.935 -1.833 6.837 313 HA ASP 39 HA ASP 39 23.910 -3.914 7.008 314 HB2 ASP 39 2HB ASP 39 24.577 -3.911 9.455 315 HB3 ASP 39 3HB ASP 39 25.849 -4.345 8.317 316 H ASN 40 H ASN 40 21.848 -3.483 7.386 317 HA ASN 40 HA ASN 40 19.937 -2.473 8.096 318 HB2 ASN 40 2HB ASN 40 21.568 -0.792 9.988 319 HB3 ASN 40 3HB ASN 40 19.921 -1.385 10.185 320 HD21 ASN 40 2HD2 ASN 40 22.886 -3.398 11.793 321 HD22 ASN 40 1HD2 ASN 40 22.926 -1.743 11.299 322 H ASN 41 H ASN 41 21.182 -1.439 5.833 323 HA ASN 41 HA ASN 41 21.300 1.427 5.982 324 HB2 ASN 41 2HB ASN 41 21.581 1.318 3.535 325 HB3 ASN 41 3HB ASN 41 22.680 0.219 4.364 326 HD21 ASN 41 2HD2 ASN 41 21.471 -2.640 2.844 327 HD22 ASN 41 1HD2 ASN 41 22.587 -1.909 3.943 328 H LYS 42 H LYS 42 19.997 2.305 3.752 329 HA LYS 42 HA LYS 42 17.182 1.933 4.514 330 HB2 LYS 42 2HB LYS 42 18.294 4.233 4.627 331 HB3 LYS 42 3HB LYS 42 18.291 4.201 2.868 332 HG2 LYS 42 2HG LYS 42 16.269 5.103 2.965 333 HG3 LYS 42 3HG LYS 42 15.690 3.545 3.559 334 HD2 LYS 42 2HD LYS 42 14.977 4.768 5.314 335 HD3 LYS 42 3HD LYS 42 16.654 4.620 5.845 336 HE2 LYS 42 2HE LYS 42 16.054 6.844 3.996 337 HE3 LYS 42 3HE LYS 42 15.367 6.969 5.615 338 HZ1 LYS 42 3HZ LYS 42 17.632 7.968 5.306 339 HZ2 LYS 42 1HZ LYS 42 18.233 6.396 5.129 340 HZ3 LYS 42 2HZ LYS 42 17.499 6.863 6.580 341 H CYS 43 H CYS 43 16.149 0.543 3.242 342 HA CYS 43 HA CYS 43 16.396 0.854 0.341 343 HB2 CYS 43 2HB CYS 43 16.528 -1.560 0.001 344 HB3 CYS 43 3HB CYS 43 17.885 -1.005 0.975 345 H THR 44 H THR 44 14.662 -0.589 -0.758 346 HA THR 44 HA THR 44 12.257 -0.947 0.829 347 HB THR 44 HB THR 44 10.854 0.453 -0.602 348 HG1 THR 44 HG1 THR 44 13.077 1.729 -1.725 349 HG21 THR 44 3HG2 THR 44 11.793 1.436 1.439 350 HG22 THR 44 1HG2 THR 44 11.606 2.647 0.172 351 HG23 THR 44 2HG2 THR 44 13.201 1.983 0.528 352 H VAL 45 H VAL 45 11.061 -2.602 0.096 353 HA VAL 45 HA VAL 45 11.931 -3.931 -2.350 354 HB VAL 45 HB VAL 45 10.012 -4.850 -0.205 355 HG11 VAL 45 1HG1 VAL 45 9.310 -6.150 -1.929 356 HG12 VAL 45 2HG1 VAL 45 10.833 -6.001 -2.808 357 HG13 VAL 45 3HG1 VAL 45 10.708 -7.107 -1.439 358 HG21 VAL 45 3HG2 VAL 45 12.053 -4.931 0.848 359 HG22 VAL 45 1HG2 VAL 45 12.016 -6.519 0.083 360 HG23 VAL 45 2HG2 VAL 45 12.939 -5.208 -0.651 361 H ASP 46 H ASP 46 10.604 -4.389 -4.081 362 HA ASP 46 HA ASP 46 8.016 -2.978 -4.117 363 HB2 ASP 46 2HB ASP 46 10.288 -2.780 -5.881 364 HB3 ASP 46 3HB ASP 46 8.875 -3.337 -6.774 365 H THR 47 H THR 47 6.400 -4.384 -4.063 366 HA THR 47 HA THR 47 6.756 -7.057 -5.188 367 HB THR 47 HB THR 47 5.816 -6.848 -2.907 368 HG1 THR 47 HG1 THR 47 4.162 -8.343 -3.282 369 HG21 THR 47 3HG2 THR 47 4.322 -4.783 -3.996 370 HG22 THR 47 1HG2 THR 47 4.114 -5.490 -2.395 371 HG23 THR 47 2HG2 THR 47 3.146 -6.073 -3.749 372 H TYR 48 H TYR 48 6.378 -4.601 -6.835 373 HA TYR 48 HA TYR 48 3.898 -5.392 -8.219 374 HB2 TYR 48 2HB TYR 48 3.908 -3.078 -7.250 375 HB3 TYR 48 3HB TYR 48 5.239 -2.685 -8.332 376 HD1 TYR 48 HD1 TYR 48 1.652 -3.309 -8.079 377 HD2 TYR 48 HD2 TYR 48 4.868 -2.501 -10.744 378 HE1 TYR 48 HE1 TYR 48 0.038 -2.727 -9.840 379 HE2 TYR 48 HE2 TYR 48 3.263 -1.915 -12.513 380 HH TYR 48 HH TYR 48 0.403 -1.037 -12.185 381 H ASN 49 H ASN 49 7.303 -4.782 -8.482 382 HA ASN 49 HA ASN 49 7.229 -5.779 -11.241 383 HB2 ASN 49 2HB ASN 49 9.255 -4.146 -11.583 384 HB3 ASN 49 3HB ASN 49 7.605 -3.549 -11.741 385 HD21 ASN 49 2HD2 ASN 49 9.819 -2.520 -8.456 386 HD22 ASN 49 1HD2 ASN 49 10.134 -3.995 -9.300 387 H ASN 50 H ASN 50 8.033 -6.631 -8.356 388 HA ASN 50 HA ASN 50 9.639 -7.895 -7.350 389 HB2 ASN 50 2HB ASN 50 9.450 -8.787 -10.138 390 HB3 ASN 50 3HB ASN 50 10.974 -9.210 -9.364 391 HD21 ASN 50 2HD2 ASN 50 9.468 -12.042 -8.090 392 HD22 ASN 50 1HD2 ASN 50 10.739 -11.326 -9.016 393 H ALA 51 H ALA 51 10.930 -6.202 -6.579 394 HA ALA 51 HA ALA 51 13.629 -6.267 -7.331 395 HB1 ALA 51 1HB ALA 51 11.992 -4.112 -8.573 396 HB2 ALA 51 2HB ALA 51 13.636 -3.740 -8.050 397 HB3 ALA 51 3HB ALA 51 13.354 -5.019 -9.231 398 H VAL 52 H VAL 52 14.785 -4.171 -6.371 399 HA VAL 52 HA VAL 52 13.416 -3.136 -4.027 400 HB VAL 52 HB VAL 52 14.473 -5.363 -3.389 401 HG11 VAL 52 1HG1 VAL 52 17.025 -3.768 -3.559 402 HG12 VAL 52 2HG1 VAL 52 16.846 -5.445 -3.041 403 HG13 VAL 52 3HG1 VAL 52 16.543 -5.004 -4.722 404 HG21 VAL 52 3HG2 VAL 52 15.358 -4.462 -1.257 405 HG22 VAL 52 1HG2 VAL 52 15.292 -2.842 -1.951 406 HG23 VAL 52 2HG2 VAL 52 13.806 -3.761 -1.713 407 H ASP 53 H ASP 53 14.155 -1.166 -3.423 408 HA ASP 53 HA ASP 53 16.271 0.001 -5.061 409 HB2 ASP 53 2HB ASP 53 14.361 1.369 -5.070 410 HB3 ASP 53 3HB ASP 53 14.087 1.152 -3.344 411 H CYS 54 H CYS 54 18.094 -0.909 -4.064 412 HA CYS 54 HA CYS 54 18.580 -0.727 -1.268 413 HB2 CYS 54 2HB CYS 54 20.365 -1.282 -3.635 414 HB3 CYS 54 3HB CYS 54 20.977 -1.237 -1.985 415 H ASP 55 H ASP 55 20.352 0.500 -0.283 416 HA ASP 55 HA ASP 55 20.088 3.231 -0.570 417 HB2 ASP 55 2HB ASP 55 21.799 3.456 0.993 418 HB3 ASP 55 3HB ASP 55 21.214 1.824 1.307 Start of MODEL 8 1 H1 ALA 1 H ALA 1 1.787 -1.190 -0.582 2 HA ALA 1 HA ALA 1 1.986 -2.477 -2.749 3 HB1 ALA 1 1HB ALA 1 1.304 -1.042 -4.384 4 HB2 ALA 1 2HB ALA 1 2.070 0.358 -3.632 5 HB3 ALA 1 3HB ALA 1 3.049 -0.816 -4.511 6 H LYS 2 H LYS 2 4.108 0.369 -2.556 7 HA LYS 2 HA LYS 2 6.457 -1.257 -2.523 8 HB2 LYS 2 2HB LYS 2 5.863 1.421 -3.071 9 HB3 LYS 2 3HB LYS 2 6.904 1.471 -1.655 10 HG2 LYS 2 2HG LYS 2 8.108 -0.364 -3.372 11 HG3 LYS 2 3HG LYS 2 7.572 0.962 -4.406 12 HD2 LYS 2 2HD LYS 2 9.164 1.337 -1.873 13 HD3 LYS 2 3HD LYS 2 9.882 1.230 -3.482 14 HE2 LYS 2 2HE LYS 2 7.706 3.207 -2.929 15 HE3 LYS 2 3HE LYS 2 9.365 3.561 -2.449 16 HZ1 LYS 2 3HZ LYS 2 9.334 2.604 -5.099 17 HZ2 LYS 2 1HZ LYS 2 9.840 4.112 -4.524 18 HZ3 LYS 2 2HZ LYS 2 8.223 3.873 -4.960 19 H TYR 3 H TYR 3 7.779 -1.804 -0.855 20 HA TYR 3 HA TYR 3 6.817 -1.136 1.848 21 HB2 TYR 3 2HB TYR 3 8.332 -3.568 0.879 22 HB3 TYR 3 3HB TYR 3 7.942 -3.241 2.564 23 HD1 TYR 3 HD1 TYR 3 5.515 -3.145 3.249 24 HD2 TYR 3 HD2 TYR 3 6.759 -4.579 -0.559 25 HE1 TYR 3 HE1 TYR 3 3.342 -4.263 2.966 26 HE2 TYR 3 HE2 TYR 3 4.590 -5.699 -0.853 27 HH TYR 3 HH TYR 3 2.080 -5.531 1.658 28 H THR 4 H THR 4 8.361 -0.733 3.492 29 HA THR 4 HA THR 4 10.983 0.143 2.466 30 HB THR 4 HB THR 4 9.480 1.314 4.813 31 HG1 THR 4 HG1 THR 4 9.412 3.157 3.228 32 HG21 THR 4 3HG2 THR 4 11.271 3.181 4.134 33 HG22 THR 4 1HG2 THR 4 12.164 1.746 3.631 34 HG23 THR 4 2HG2 THR 4 11.622 1.907 5.302 35 H GLY 5 H GLY 5 12.790 -0.555 3.474 36 HA2 GLY 5 2HA GLY 5 12.755 -1.567 6.165 37 HA3 GLY 5 3HA GLY 5 12.898 -2.839 4.961 38 H LYS 6 H LYS 6 14.965 -3.296 5.957 39 HA LYS 6 HA LYS 6 17.078 -1.608 4.819 40 HB2 LYS 6 2HB LYS 6 17.556 -2.835 7.494 41 HB3 LYS 6 3HB LYS 6 18.258 -1.387 6.784 42 HG2 LYS 6 2HG LYS 6 15.745 -0.542 7.007 43 HG3 LYS 6 3HG LYS 6 15.748 -1.732 8.312 44 HD2 LYS 6 2HD LYS 6 17.855 -0.623 9.153 45 HD3 LYS 6 3HD LYS 6 17.546 0.663 7.984 46 HE2 LYS 6 2HE LYS 6 15.602 1.347 9.072 47 HE3 LYS 6 3HE LYS 6 15.434 -0.181 9.935 48 HZ1 LYS 6 3HZ LYS 6 16.234 1.795 11.264 49 HZ2 LYS 6 1HZ LYS 6 17.698 1.660 10.426 50 HZ3 LYS 6 2HZ LYS 6 17.157 0.384 11.395 51 H CYS 7 H CYS 7 19.209 -2.752 4.780 52 HA CYS 7 HA CYS 7 18.845 -5.661 4.476 53 HB2 CYS 7 2HB CYS 7 20.926 -4.521 2.778 54 HB3 CYS 7 3HB CYS 7 19.617 -5.623 2.365 55 H THR 8 H THR 8 21.056 -6.790 4.369 56 HA THR 8 HA THR 8 22.737 -5.682 6.519 57 HB THR 8 HB THR 8 23.250 -8.473 5.998 58 HG1 THR 8 HG1 THR 8 21.212 -8.938 5.499 59 HG21 THR 8 3HG2 THR 8 23.494 -8.488 8.229 60 HG22 THR 8 1HG2 THR 8 21.911 -7.761 8.497 61 HG23 THR 8 2HG2 THR 8 23.300 -6.739 8.128 62 H LYS 9 H LYS 9 24.736 -5.080 6.025 63 HA LYS 9 HA LYS 9 25.817 -4.997 3.505 64 HB2 LYS 9 2HB LYS 9 27.916 -4.458 4.518 65 HB3 LYS 9 3HB LYS 9 26.651 -3.779 5.534 66 HG2 LYS 9 2HG LYS 9 27.778 -4.729 7.210 67 HG3 LYS 9 3HG LYS 9 27.005 -6.223 6.674 68 HD2 LYS 9 2HD LYS 9 28.910 -6.984 5.617 69 HD3 LYS 9 3HD LYS 9 29.569 -5.360 5.409 70 HE2 LYS 9 2HE LYS 9 30.917 -6.123 7.091 71 HE3 LYS 9 3HE LYS 9 29.615 -5.411 8.044 72 HZ1 LYS 9 3HZ LYS 9 28.616 -7.765 7.923 73 HZ2 LYS 9 1HZ LYS 9 29.890 -7.477 8.999 74 HZ3 LYS 9 2HZ LYS 9 30.186 -8.254 7.526 75 H SER 10 H SER 10 25.717 -7.671 5.700 76 HA SER 10 HA SER 10 27.815 -9.254 4.899 77 HB2 SER 10 2HB SER 10 25.023 -9.918 5.791 78 HB3 SER 10 3HB SER 10 26.143 -11.200 5.333 79 HG SER 10 HG SER 10 27.057 -10.969 7.199 80 H LYS 11 H LYS 11 24.544 -9.930 3.691 81 HA LYS 11 HA LYS 11 25.729 -10.466 1.045 82 HB2 LYS 11 2HB LYS 11 24.643 -12.361 2.598 83 HB3 LYS 11 3HB LYS 11 23.179 -11.785 1.811 84 HG2 LYS 11 2HG LYS 11 23.756 -12.638 -0.196 85 HG3 LYS 11 3HG LYS 11 25.478 -12.335 0.046 86 HD2 LYS 11 2HD LYS 11 25.192 -14.221 1.874 87 HD3 LYS 11 3HD LYS 11 23.820 -14.671 0.859 88 HE2 LYS 11 2HE LYS 11 25.495 -14.540 -1.090 89 HE3 LYS 11 3HE LYS 11 26.737 -14.585 0.161 90 HZ1 LYS 11 3HZ LYS 11 26.425 -16.797 -0.454 91 HZ2 LYS 11 1HZ LYS 11 24.740 -16.656 -0.515 92 HZ3 LYS 11 2HZ LYS 11 25.535 -16.651 0.978 93 H ASN 12 H ASN 12 24.664 -7.943 1.989 94 HA ASN 12 HA ASN 12 23.087 -6.342 1.506 95 HB2 ASN 12 2HB ASN 12 22.861 -5.954 -0.890 96 HB3 ASN 12 3HB ASN 12 24.515 -6.423 -0.510 97 HD21 ASN 12 2HD2 ASN 12 22.264 -8.601 -3.029 98 HD22 ASN 12 1HD2 ASN 12 21.694 -7.159 -2.267 99 H GLU 13 H GLU 13 21.859 -8.641 2.554 100 HA GLU 13 HA GLU 13 19.555 -9.236 0.897 101 HB2 GLU 13 2HB GLU 13 20.893 -10.510 3.052 102 HB3 GLU 13 3HB GLU 13 19.247 -10.187 3.577 103 HG2 GLU 13 2HG GLU 13 18.336 -11.423 1.767 104 HG3 GLU 13 3HG GLU 13 19.911 -11.555 0.986 105 H CYS 14 H CYS 14 18.155 -7.585 0.726 106 HA CYS 14 HA CYS 14 17.550 -5.897 3.003 107 HB2 CYS 14 2HB CYS 14 17.090 -5.811 0.094 108 HB3 CYS 14 3HB CYS 14 15.786 -5.137 1.065 109 H LYS 15 H LYS 15 16.141 -6.545 4.480 110 HA LYS 15 HA LYS 15 14.084 -8.486 3.808 111 HB2 LYS 15 2HB LYS 15 15.442 -8.691 5.890 112 HB3 LYS 15 3HB LYS 15 14.706 -7.205 6.475 113 HG2 LYS 15 2HG LYS 15 12.838 -9.319 5.628 114 HG3 LYS 15 3HG LYS 15 13.797 -9.659 7.069 115 HD2 LYS 15 2HD LYS 15 12.691 -6.964 7.051 116 HD3 LYS 15 3HD LYS 15 11.449 -8.216 6.983 117 HE2 LYS 15 2HE LYS 15 13.486 -8.909 8.896 118 HE3 LYS 15 3HE LYS 15 12.838 -7.306 9.238 119 HZ1 LYS 15 3HZ LYS 15 11.638 -9.846 9.644 120 HZ2 LYS 15 1HZ LYS 15 10.656 -8.880 8.662 121 HZ3 LYS 15 2HZ LYS 15 11.131 -8.326 10.187 122 H TYR 16 H TYR 16 11.845 -8.160 4.412 123 HA TYR 16 HA TYR 16 10.876 -5.530 4.998 124 HB2 TYR 16 2HB TYR 16 9.798 -5.019 2.942 125 HB3 TYR 16 3HB TYR 16 11.458 -5.436 2.530 126 HD1 TYR 16 HD1 TYR 16 11.895 -7.857 1.755 127 HD2 TYR 16 HD2 TYR 16 8.023 -6.097 1.883 128 HE1 TYR 16 HE1 TYR 16 11.080 -9.549 0.167 129 HE2 TYR 16 HE2 TYR 16 7.197 -7.785 0.296 130 HH TYR 16 HH TYR 16 8.104 -10.366 -0.284 131 H LYS 17 H LYS 17 8.306 -5.662 4.203 132 HA LYS 17 HA LYS 17 7.327 -8.185 5.372 133 HB2 LYS 17 2HB LYS 17 5.385 -6.810 6.207 134 HB3 LYS 17 3HB LYS 17 6.930 -6.471 6.976 135 HG2 LYS 17 2HG LYS 17 6.454 -4.785 4.662 136 HG3 LYS 17 3HG LYS 17 5.201 -4.621 5.894 137 HD2 LYS 17 2HD LYS 17 8.145 -4.485 6.513 138 HD3 LYS 17 3HD LYS 17 7.177 -3.063 6.116 139 HE2 LYS 17 2HE LYS 17 6.442 -2.946 8.208 140 HE3 LYS 17 3HE LYS 17 5.816 -4.591 8.107 141 HZ1 LYS 17 3HZ LYS 17 8.029 -3.650 9.557 142 HZ2 LYS 17 1HZ LYS 17 8.582 -4.758 8.404 143 HZ3 LYS 17 2HZ LYS 17 7.388 -5.215 9.511 144 H ASN 18 H ASN 18 5.729 -9.251 4.330 145 HA ASN 18 HA ASN 18 4.379 -7.916 2.093 146 HB2 ASN 18 2HB ASN 18 4.963 -9.496 0.518 147 HB3 ASN 18 3HB ASN 18 6.433 -9.461 1.488 148 HD21 ASN 18 2HD2 ASN 18 5.559 -12.577 3.150 149 HD22 ASN 18 1HD2 ASN 18 6.001 -10.964 3.581 150 H ASP 19 H ASP 19 2.509 -9.248 1.279 151 HA ASP 19 HA ASP 19 0.564 -10.390 1.611 152 HB2 ASP 19 2HB ASP 19 2.494 -11.879 3.089 153 HB3 ASP 19 3HB ASP 19 1.021 -11.793 4.051 154 H ALA 20 H ALA 20 1.681 -9.993 4.969 155 HA ALA 20 HA ALA 20 -0.102 -7.796 5.456 156 HB1 ALA 20 1HB ALA 20 -0.735 -10.450 6.741 157 HB2 ALA 20 2HB ALA 20 -1.527 -8.912 7.086 158 HB3 ALA 20 3HB ALA 20 -1.695 -9.653 5.495 159 H GLY 21 H GLY 21 2.746 -8.650 5.785 160 HA2 GLY 21 2HA GLY 21 4.000 -7.382 7.527 161 HA3 GLY 21 3HA GLY 21 2.964 -8.185 8.697 162 H LYS 22 H LYS 22 3.695 -10.278 6.194 163 HA LYS 22 HA LYS 22 5.269 -11.956 7.862 164 HB2 LYS 22 2HB LYS 22 4.289 -12.045 5.050 165 HB3 LYS 22 3HB LYS 22 5.628 -13.100 5.482 166 HG2 LYS 22 2HG LYS 22 3.333 -13.124 7.327 167 HG3 LYS 22 3HG LYS 22 3.043 -13.786 5.716 168 HD2 LYS 22 2HD LYS 22 4.584 -15.486 5.995 169 HD3 LYS 22 3HD LYS 22 5.480 -14.609 7.237 170 HE2 LYS 22 2HE LYS 22 4.266 -15.521 8.867 171 HE3 LYS 22 3HE LYS 22 2.754 -15.111 8.058 172 HZ1 LYS 22 3HZ LYS 22 2.599 -17.144 7.115 173 HZ2 LYS 22 1HZ LYS 22 3.524 -17.599 8.456 174 HZ3 LYS 22 2HZ LYS 22 4.272 -17.344 6.960 175 H ASP 23 H ASP 23 7.393 -11.978 8.178 176 HA ASP 23 HA ASP 23 9.103 -10.056 6.999 177 HB2 ASP 23 2HB ASP 23 9.952 -12.556 8.469 178 HB3 ASP 23 3HB ASP 23 10.863 -11.059 8.290 179 H THR 24 H THR 24 9.935 -10.092 5.030 180 HA THR 24 HA THR 24 10.706 -12.684 3.866 181 HB THR 24 HB THR 24 9.365 -10.406 2.397 182 HG1 THR 24 HG1 THR 24 8.446 -13.078 2.667 183 HG21 THR 24 3HG2 THR 24 11.066 -11.465 1.008 184 HG22 THR 24 1HG2 THR 24 9.454 -11.893 0.439 185 HG23 THR 24 2HG2 THR 24 10.396 -13.055 1.373 186 H PHE 25 H PHE 25 12.685 -12.763 2.967 187 HA PHE 25 HA PHE 25 14.234 -10.266 2.919 188 HB2 PHE 25 2HB PHE 25 15.189 -13.135 3.040 189 HB3 PHE 25 3HB PHE 25 16.230 -11.714 3.039 190 HD1 PHE 25 HD1 PHE 25 16.742 -10.600 5.027 191 HD2 PHE 25 HD2 PHE 25 13.575 -13.443 4.958 192 HE1 PHE 25 HE1 PHE 25 16.591 -10.486 7.480 193 HE2 PHE 25 HE2 PHE 25 13.418 -13.333 7.411 194 HZ PHE 25 HZ PHE 25 14.927 -11.853 8.676 195 H ILE 26 H ILE 26 15.278 -9.592 1.103 196 HA ILE 26 HA ILE 26 15.342 -11.309 -1.249 197 HB ILE 26 HB ILE 26 13.187 -10.165 -1.444 198 HG12 ILE 26 2HG1 ILE 26 13.535 -9.169 -3.670 199 HG13 ILE 26 3HG1 ILE 26 15.267 -9.092 -3.364 200 HG21 ILE 26 1HG2 ILE 26 13.005 -7.776 -1.597 201 HG22 ILE 26 2HG2 ILE 26 13.819 -8.184 -0.088 202 HG23 ILE 26 3HG2 ILE 26 14.753 -7.591 -1.461 203 HD11 ILE 26 3HD1 ILE 26 13.981 -11.109 -4.656 204 HD12 ILE 26 1HD1 ILE 26 15.566 -11.236 -3.894 205 HD13 ILE 26 2HD1 ILE 26 14.124 -11.755 -3.021 206 H LYS 27 H LYS 27 17.185 -11.058 -2.336 207 HA LYS 27 HA LYS 27 19.225 -9.349 -1.446 208 HB2 LYS 27 2HB LYS 27 20.503 -10.134 -3.326 209 HB3 LYS 27 3HB LYS 27 19.567 -11.482 -2.694 210 HG2 LYS 27 2HG LYS 27 17.880 -11.039 -4.487 211 HG3 LYS 27 3HG LYS 27 19.011 -9.870 -5.171 212 HD2 LYS 27 2HD LYS 27 19.383 -11.871 -6.357 213 HD3 LYS 27 3HD LYS 27 20.711 -11.760 -5.200 214 HE2 LYS 27 2HE LYS 27 20.156 -13.753 -4.394 215 HE3 LYS 27 3HE LYS 27 18.583 -13.115 -3.921 216 HZ1 LYS 27 3HZ LYS 27 18.314 -15.023 -5.344 217 HZ2 LYS 27 1HZ LYS 27 19.268 -14.315 -6.549 218 HZ3 LYS 27 2HZ LYS 27 17.768 -13.642 -6.154 219 H CYS 28 H CYS 28 20.408 -8.182 -3.597 220 HA CYS 28 HA CYS 28 18.476 -6.082 -4.331 221 HB2 CYS 28 2HB CYS 28 20.630 -5.654 -2.847 222 HB3 CYS 28 3HB CYS 28 21.420 -5.598 -4.419 223 HA PRO 29 HA PRO 29 19.671 -8.182 -8.278 224 HB2 PRO 29 2HB PRO 29 17.171 -8.105 -9.335 225 HB3 PRO 29 3HB PRO 29 17.726 -9.405 -8.273 226 HG2 PRO 29 2HG PRO 29 16.063 -7.003 -7.618 227 HG3 PRO 29 3HG PRO 29 15.858 -8.683 -7.089 228 HD2 PRO 29 2HD PRO 29 16.983 -6.787 -5.516 229 HD3 PRO 29 3HD PRO 29 17.466 -8.494 -5.448 230 H LYS 30 H LYS 30 18.164 -5.208 -7.391 231 HA LYS 30 HA LYS 30 17.863 -4.007 -9.911 232 HB2 LYS 30 2HB LYS 30 17.558 -3.244 -7.209 233 HB3 LYS 30 3HB LYS 30 18.646 -2.069 -7.936 234 HG2 LYS 30 2HG LYS 30 15.937 -2.821 -9.015 235 HG3 LYS 30 3HG LYS 30 16.293 -1.384 -8.054 236 HD2 LYS 30 2HD LYS 30 17.929 -0.703 -9.809 237 HD3 LYS 30 3HD LYS 30 17.377 -2.066 -10.785 238 HE2 LYS 30 2HE LYS 30 16.186 -0.183 -11.566 239 HE3 LYS 30 3HE LYS 30 15.049 -1.099 -10.579 240 HZ1 LYS 30 3HZ LYS 30 16.609 1.053 -9.331 241 HZ2 LYS 30 1HZ LYS 30 15.073 0.468 -8.930 242 HZ3 LYS 30 2HZ LYS 30 15.273 1.459 -10.286 243 H PHE 31 H PHE 31 20.437 -3.316 -7.538 244 HA PHE 31 HA PHE 31 22.233 -2.756 -9.804 245 HB2 PHE 31 2HB PHE 31 23.021 -1.755 -7.149 246 HB3 PHE 31 3HB PHE 31 23.059 -0.951 -8.714 247 HD1 PHE 31 HD1 PHE 31 21.274 0.445 -9.431 248 HD2 PHE 31 HD2 PHE 31 20.952 -1.777 -5.815 249 HE1 PHE 31 HE1 PHE 31 19.288 1.755 -8.807 250 HE2 PHE 31 HE2 PHE 31 18.965 -0.470 -5.185 251 HZ PHE 31 HZ PHE 31 18.129 1.298 -6.682 252 H ASP 32 H ASP 32 23.180 -4.721 -10.116 253 HA ASP 32 HA ASP 32 24.021 -6.445 -8.032 254 HB2 ASP 32 2HB ASP 32 23.680 -6.749 -10.702 255 HB3 ASP 32 3HB ASP 32 25.435 -6.622 -10.624 256 H ASN 33 H ASN 33 25.308 -3.558 -9.218 257 HA ASN 33 HA ASN 33 27.977 -4.205 -8.154 258 HB2 ASN 33 2HB ASN 33 27.229 -3.007 -10.586 259 HB3 ASN 33 3HB ASN 33 27.883 -1.705 -9.597 260 HD21 ASN 33 2HD2 ASN 33 30.351 -4.888 -10.338 261 HD22 ASN 33 1HD2 ASN 33 28.678 -5.141 -9.989 262 H LYS 34 H LYS 34 25.159 -2.322 -7.707 263 HA LYS 34 HA LYS 34 26.507 -0.808 -5.570 264 HB2 LYS 34 2HB LYS 34 24.138 0.208 -7.137 265 HB3 LYS 34 3HB LYS 34 25.148 1.104 -6.009 266 HG2 LYS 34 2HG LYS 34 26.032 1.867 -7.946 267 HG3 LYS 34 3HG LYS 34 27.031 0.425 -7.752 268 HD2 LYS 34 2HD LYS 34 25.734 -0.797 -9.310 269 HD3 LYS 34 3HD LYS 34 24.453 0.418 -9.306 270 HE2 LYS 34 2HE LYS 34 25.944 2.016 -10.375 271 HE3 LYS 34 3HE LYS 34 27.260 0.844 -10.329 272 HZ1 LYS 34 3HZ LYS 34 26.555 0.006 -12.235 273 HZ2 LYS 34 1HZ LYS 34 25.329 1.169 -12.308 274 HZ3 LYS 34 2HZ LYS 34 25.032 -0.327 -11.578 275 H LYS 35 H LYS 35 25.379 -3.305 -5.140 276 HA LYS 35 HA LYS 35 22.683 -3.149 -4.244 277 HB2 LYS 35 2HB LYS 35 23.160 -5.323 -3.159 278 HB3 LYS 35 3HB LYS 35 23.647 -5.288 -4.848 279 HG2 LYS 35 2HG LYS 35 25.801 -4.480 -3.092 280 HG3 LYS 35 3HG LYS 35 25.187 -6.087 -2.695 281 HD2 LYS 35 2HD LYS 35 25.525 -5.615 -5.565 282 HD3 LYS 35 3HD LYS 35 27.028 -5.534 -4.642 283 HE2 LYS 35 2HE LYS 35 25.208 -7.785 -4.033 284 HE3 LYS 35 3HE LYS 35 26.011 -7.821 -5.602 285 HZ1 LYS 35 3HZ LYS 35 27.113 -8.809 -3.425 286 HZ2 LYS 35 1HZ LYS 35 27.668 -7.217 -3.279 287 HZ3 LYS 35 2HZ LYS 35 28.033 -8.117 -4.664 288 H CYS 36 H CYS 36 22.476 -4.113 -1.778 289 HA CYS 36 HA CYS 36 23.027 -1.863 -0.136 290 HB2 CYS 36 2HB CYS 36 21.769 -4.537 0.253 291 HB3 CYS 36 3HB CYS 36 22.294 -3.660 1.686 292 H THR 37 H THR 37 24.940 -1.369 0.687 293 HA THR 37 HA THR 37 26.702 -3.563 1.568 294 HB THR 37 HB THR 37 28.631 -2.127 1.080 295 HG1 THR 37 HG1 THR 37 28.366 -0.130 0.174 296 HG21 THR 37 3HG2 THR 37 27.373 -3.633 -0.674 297 HG22 THR 37 1HG2 THR 37 28.712 -2.600 -1.170 298 HG23 THR 37 2HG2 THR 37 27.049 -2.083 -1.449 299 H LYS 38 H LYS 38 24.839 -2.618 3.323 300 HA LYS 38 HA LYS 38 26.499 -1.627 5.440 301 HB2 LYS 38 2HB LYS 38 25.043 0.267 3.894 302 HB3 LYS 38 3HB LYS 38 24.265 0.153 5.468 303 HG2 LYS 38 2HG LYS 38 27.221 0.582 5.130 304 HG3 LYS 38 3HG LYS 38 26.055 1.903 5.246 305 HD2 LYS 38 2HD LYS 38 25.319 0.477 7.393 306 HD3 LYS 38 3HD LYS 38 27.025 0.028 7.322 307 HE2 LYS 38 2HE LYS 38 26.014 2.868 7.295 308 HE3 LYS 38 3HE LYS 38 26.537 2.018 8.749 309 HZ1 LYS 38 3HZ LYS 38 28.110 3.361 6.844 310 HZ2 LYS 38 1HZ LYS 38 28.546 1.726 6.845 311 HZ3 LYS 38 2HZ LYS 38 28.601 2.617 8.282 312 H ASP 39 H ASP 39 25.427 -1.671 7.513 313 HA ASP 39 HA ASP 39 23.299 -3.665 7.564 314 HB2 ASP 39 2HB ASP 39 25.175 -2.579 9.656 315 HB3 ASP 39 3HB ASP 39 23.798 -3.592 10.080 316 H ASN 40 H ASN 40 21.242 -3.162 7.907 317 HA ASN 40 HA ASN 40 19.356 -2.042 8.513 318 HB2 ASN 40 2HB ASN 40 20.951 -0.233 10.299 319 HB3 ASN 40 3HB ASN 40 19.327 -0.871 10.532 320 HD21 ASN 40 2HD2 ASN 40 22.273 -2.621 12.387 321 HD22 ASN 40 1HD2 ASN 40 22.205 -0.984 11.838 322 H ASN 41 H ASN 41 20.889 -1.184 6.256 323 HA ASN 41 HA ASN 41 21.003 1.672 6.195 324 HB2 ASN 41 2HB ASN 41 21.439 1.391 3.793 325 HB3 ASN 41 3HB ASN 41 22.443 0.308 4.753 326 HD21 ASN 41 2HD2 ASN 41 21.295 -2.564 3.235 327 HD22 ASN 41 1HD2 ASN 41 22.414 -1.787 4.296 328 H LYS 42 H LYS 42 19.848 2.444 3.867 329 HA LYS 42 HA LYS 42 16.986 2.145 4.465 330 HB2 LYS 42 2HB LYS 42 18.207 4.435 4.485 331 HB3 LYS 42 3HB LYS 42 18.149 4.306 2.732 332 HG2 LYS 42 2HG LYS 42 16.006 4.890 2.662 333 HG3 LYS 42 3HG LYS 42 15.575 3.772 3.959 334 HD2 LYS 42 2HD LYS 42 15.893 5.346 5.604 335 HD3 LYS 42 3HD LYS 42 17.051 6.271 4.644 336 HE2 LYS 42 2HE LYS 42 14.749 6.460 3.163 337 HE3 LYS 42 3HE LYS 42 14.144 6.498 4.818 338 HZ1 LYS 42 3HZ LYS 42 15.515 8.518 3.361 339 HZ2 LYS 42 1HZ LYS 42 16.324 8.169 4.805 340 HZ3 LYS 42 2HZ LYS 42 14.698 8.632 4.837 341 H CYS 43 H CYS 43 15.998 0.723 3.196 342 HA CYS 43 HA CYS 43 16.293 0.944 0.313 343 HB2 CYS 43 2HB CYS 43 16.830 -1.347 -0.074 344 HB3 CYS 43 3HB CYS 43 17.986 -0.753 1.115 345 H THR 44 H THR 44 14.472 0.374 -0.801 346 HA THR 44 HA THR 44 12.189 -0.539 0.826 347 HB THR 44 HB THR 44 10.761 0.636 -0.896 348 HG1 THR 44 HG1 THR 44 11.789 2.148 -2.217 349 HG21 THR 44 3HG2 THR 44 10.644 2.125 0.757 350 HG22 THR 44 1HG2 THR 44 12.025 2.964 0.051 351 HG23 THR 44 2HG2 THR 44 12.279 1.728 1.283 352 H VAL 45 H VAL 45 11.165 -2.343 0.222 353 HA VAL 45 HA VAL 45 12.057 -3.678 -2.223 354 HB VAL 45 HB VAL 45 10.433 -4.741 0.093 355 HG11 VAL 45 1HG1 VAL 45 11.263 -6.953 -1.076 356 HG12 VAL 45 2HG1 VAL 45 9.783 -6.144 -1.596 357 HG13 VAL 45 3HG1 VAL 45 11.278 -5.921 -2.505 358 HG21 VAL 45 3HG2 VAL 45 13.280 -5.388 -0.645 359 HG22 VAL 45 1HG2 VAL 45 12.840 -4.158 0.540 360 HG23 VAL 45 2HG2 VAL 45 12.408 -5.845 0.819 361 H ASP 46 H ASP 46 10.669 -4.374 -3.825 362 HA ASP 46 HA ASP 46 7.907 -3.356 -3.674 363 HB2 ASP 46 2HB ASP 46 9.985 -2.759 -5.579 364 HB3 ASP 46 3HB ASP 46 8.633 -3.543 -6.391 365 H THR 47 H THR 47 6.480 -4.948 -3.666 366 HA THR 47 HA THR 47 7.215 -7.586 -4.635 367 HB THR 47 HB THR 47 6.009 -7.316 -2.475 368 HG1 THR 47 HG1 THR 47 4.689 -9.084 -2.858 369 HG21 THR 47 3HG2 THR 47 3.593 -6.658 -4.153 370 HG22 THR 47 1HG2 THR 47 4.545 -5.435 -3.313 371 HG23 THR 47 2HG2 THR 47 3.715 -6.690 -2.394 372 H TYR 48 H TYR 48 5.321 -4.866 -5.630 373 HA TYR 48 HA TYR 48 3.700 -6.290 -7.519 374 HB2 TYR 48 2HB TYR 48 3.121 -4.073 -6.414 375 HB3 TYR 48 3HB TYR 48 4.270 -3.327 -7.519 376 HD1 TYR 48 HD1 TYR 48 3.841 -3.423 -9.981 377 HD2 TYR 48 HD2 TYR 48 0.942 -4.677 -7.131 378 HE1 TYR 48 HE1 TYR 48 2.091 -3.264 -11.701 379 HE2 TYR 48 HE2 TYR 48 -0.817 -4.523 -8.844 380 HH TYR 48 HH TYR 48 -0.233 -4.375 -12.071 381 H ASN 49 H ASN 49 6.863 -4.929 -7.512 382 HA ASN 49 HA ASN 49 7.054 -5.358 -10.422 383 HB2 ASN 49 2HB ASN 49 7.401 -3.034 -10.029 384 HB3 ASN 49 3HB ASN 49 8.456 -3.352 -8.656 385 HD21 ASN 49 2HD2 ASN 49 11.334 -3.880 -10.561 386 HD22 ASN 49 1HD2 ASN 49 10.565 -4.081 -9.027 387 H ASN 50 H ASN 50 8.086 -6.357 -7.364 388 HA ASN 50 HA ASN 50 9.578 -7.921 -6.656 389 HB2 ASN 50 2HB ASN 50 9.104 -8.584 -9.474 390 HB3 ASN 50 3HB ASN 50 10.654 -9.158 -8.866 391 HD21 ASN 50 2HD2 ASN 50 7.642 -11.457 -8.244 392 HD22 ASN 50 1HD2 ASN 50 7.976 -10.422 -9.587 393 H ALA 51 H ALA 51 10.934 -6.150 -5.980 394 HA ALA 51 HA ALA 51 13.603 -6.414 -6.780 395 HB1 ALA 51 1HB ALA 51 12.868 -3.682 -7.570 396 HB2 ALA 51 2HB ALA 51 14.018 -4.807 -8.295 397 HB3 ALA 51 3HB ALA 51 12.297 -4.954 -8.651 398 H VAL 52 H VAL 52 14.794 -4.135 -6.069 399 HA VAL 52 HA VAL 52 13.561 -3.061 -3.667 400 HB VAL 52 HB VAL 52 14.813 -5.211 -3.055 401 HG11 VAL 52 1HG1 VAL 52 16.778 -4.460 -4.572 402 HG12 VAL 52 2HG1 VAL 52 17.275 -3.516 -3.166 403 HG13 VAL 52 3HG1 VAL 52 17.126 -5.270 -3.045 404 HG21 VAL 52 3HG2 VAL 52 14.116 -3.611 -1.385 405 HG22 VAL 52 1HG2 VAL 52 15.738 -4.188 -1.002 406 HG23 VAL 52 2HG2 VAL 52 15.516 -2.595 -1.727 407 H ASP 53 H ASP 53 14.587 -1.174 -2.877 408 HA ASP 53 HA ASP 53 16.425 0.058 -4.820 409 HB2 ASP 53 2HB ASP 53 14.314 1.266 -3.036 410 HB3 ASP 53 3HB ASP 53 15.546 2.238 -3.836 411 H CYS 54 H CYS 54 18.107 -1.129 -3.558 412 HA CYS 54 HA CYS 54 18.736 -0.689 -0.907 413 HB2 CYS 54 2HB CYS 54 20.541 -1.113 -3.291 414 HB3 CYS 54 3HB CYS 54 21.132 -1.086 -1.633 415 H ASP 55 H ASP 55 20.435 0.654 0.045 416 HA ASP 55 HA ASP 55 20.059 3.403 -0.618 417 HB2 ASP 55 2HB ASP 55 20.345 3.003 1.674 418 HB3 ASP 55 3HB ASP 55 21.724 1.939 1.411 Start of MODEL 9 1 H1 ALA 1 H ALA 1 2.768 0.971 -5.130 2 HA ALA 1 HA ALA 1 3.004 2.338 -2.622 3 HB1 ALA 1 1HB ALA 1 0.944 1.256 -2.105 4 HB2 ALA 1 2HB ALA 1 1.534 -0.289 -2.718 5 HB3 ALA 1 3HB ALA 1 2.224 0.398 -1.248 6 H LYS 2 H LYS 2 4.437 1.072 -1.090 7 HA LYS 2 HA LYS 2 6.019 -1.062 -2.136 8 HB2 LYS 2 2HB LYS 2 8.163 0.203 -2.207 9 HB3 LYS 2 3HB LYS 2 7.030 0.672 -3.467 10 HG2 LYS 2 2HG LYS 2 6.822 2.765 -2.682 11 HG3 LYS 2 3HG LYS 2 6.864 2.249 -0.995 12 HD2 LYS 2 2HD LYS 2 8.866 3.340 -1.100 13 HD3 LYS 2 3HD LYS 2 9.391 1.731 -1.602 14 HE2 LYS 2 2HE LYS 2 9.819 2.392 -3.714 15 HE3 LYS 2 3HE LYS 2 8.425 3.471 -3.768 16 HZ1 LYS 2 3HZ LYS 2 10.690 4.228 -2.075 17 HZ2 LYS 2 1HZ LYS 2 9.616 5.207 -2.942 18 HZ3 LYS 2 2HZ LYS 2 10.862 4.396 -3.750 19 H TYR 3 H TYR 3 7.568 -1.851 -0.616 20 HA TYR 3 HA TYR 3 6.924 -1.059 2.126 21 HB2 TYR 3 2HB TYR 3 8.284 -3.515 1.006 22 HB3 TYR 3 3HB TYR 3 8.075 -3.209 2.726 23 HD1 TYR 3 HD1 TYR 3 6.692 -4.785 -0.086 24 HD2 TYR 3 HD2 TYR 3 5.581 -2.699 3.452 25 HE1 TYR 3 HE1 TYR 3 4.466 -5.827 -0.178 26 HE2 TYR 3 HE2 TYR 3 3.352 -3.736 3.370 27 HH TYR 3 HH TYR 3 1.880 -4.822 1.913 28 H THR 4 H THR 4 8.562 -0.733 3.697 29 HA THR 4 HA THR 4 11.184 0.010 2.571 30 HB THR 4 HB THR 4 9.858 1.397 4.903 31 HG1 THR 4 HG1 THR 4 8.672 2.278 3.377 32 HG21 THR 4 3HG2 THR 4 12.027 2.007 5.153 33 HG22 THR 4 1HG2 THR 4 11.620 3.156 3.879 34 HG23 THR 4 2HG2 THR 4 12.435 1.644 3.476 35 H GLY 5 H GLY 5 12.955 -0.761 3.576 36 HA2 GLY 5 2HA GLY 5 12.857 -1.640 6.332 37 HA3 GLY 5 3HA GLY 5 13.019 -2.943 5.164 38 H LYS 6 H LYS 6 15.062 -3.485 6.021 39 HA LYS 6 HA LYS 6 17.213 -1.808 4.969 40 HB2 LYS 6 2HB LYS 6 17.433 -2.974 7.735 41 HB3 LYS 6 3HB LYS 6 18.458 -1.764 6.975 42 HG2 LYS 6 2HG LYS 6 17.250 -0.412 8.333 43 HG3 LYS 6 3HG LYS 6 16.185 -0.406 6.925 44 HD2 LYS 6 2HD LYS 6 14.584 -1.026 8.364 45 HD3 LYS 6 3HD LYS 6 15.335 -2.622 8.291 46 HE2 LYS 6 2HE LYS 6 16.818 -1.127 10.155 47 HE3 LYS 6 3HE LYS 6 15.120 -0.810 10.507 48 HZ1 LYS 6 3HZ LYS 6 16.647 -3.244 10.826 49 HZ2 LYS 6 1HZ LYS 6 15.115 -3.465 10.141 50 HZ3 LYS 6 2HZ LYS 6 15.267 -2.714 11.649 51 H CYS 7 H CYS 7 19.200 -2.938 4.626 52 HA CYS 7 HA CYS 7 18.832 -5.855 4.441 53 HB2 CYS 7 2HB CYS 7 20.989 -4.705 2.829 54 HB3 CYS 7 3HB CYS 7 19.709 -5.821 2.365 55 H THR 8 H THR 8 21.410 -6.629 3.945 56 HA THR 8 HA THR 8 22.994 -5.665 6.218 57 HB THR 8 HB THR 8 22.961 -8.606 5.752 58 HG1 THR 8 HG1 THR 8 20.984 -8.850 6.467 59 HG21 THR 8 3HG2 THR 8 22.821 -7.650 8.480 60 HG22 THR 8 1HG2 THR 8 24.121 -6.860 7.589 61 HG23 THR 8 2HG2 THR 8 24.066 -8.620 7.693 62 H LYS 9 H LYS 9 25.067 -5.363 5.715 63 HA LYS 9 HA LYS 9 26.033 -5.731 3.097 64 HB2 LYS 9 2HB LYS 9 28.121 -4.902 3.902 65 HB3 LYS 9 3HB LYS 9 26.856 -4.040 4.768 66 HG2 LYS 9 2HG LYS 9 28.132 -4.527 6.551 67 HG3 LYS 9 3HG LYS 9 27.275 -6.069 6.477 68 HD2 LYS 9 2HD LYS 9 29.083 -7.181 5.579 69 HD3 LYS 9 3HD LYS 9 29.776 -5.713 4.886 70 HE2 LYS 9 2HE LYS 9 29.745 -5.283 7.644 71 HE3 LYS 9 3HE LYS 9 30.268 -6.955 7.445 72 HZ1 LYS 9 3HZ LYS 9 31.920 -6.097 5.802 73 HZ2 LYS 9 1HZ LYS 9 32.190 -5.600 7.397 74 HZ3 LYS 9 2HZ LYS 9 31.510 -4.527 6.281 75 H SER 10 H SER 10 25.720 -7.915 5.661 76 HA SER 10 HA SER 10 27.888 -9.579 5.548 77 HB2 SER 10 2HB SER 10 26.305 -10.223 7.121 78 HB3 SER 10 3HB SER 10 24.967 -10.091 5.981 79 HG SER 10 HG SER 10 26.992 -12.080 5.923 80 H LYS 11 H LYS 11 24.928 -10.476 3.799 81 HA LYS 11 HA LYS 11 26.584 -11.205 1.481 82 HB2 LYS 11 2HB LYS 11 25.435 -13.049 3.208 83 HB3 LYS 11 3HB LYS 11 24.297 -12.972 1.869 84 HG2 LYS 11 2HG LYS 11 26.455 -13.223 0.412 85 HG3 LYS 11 3HG LYS 11 27.130 -13.889 1.901 86 HD2 LYS 11 2HD LYS 11 24.906 -15.297 1.889 87 HD3 LYS 11 3HD LYS 11 24.948 -14.940 0.160 88 HE2 LYS 11 2HE LYS 11 27.139 -15.933 -0.032 89 HE3 LYS 11 3HE LYS 11 27.221 -16.174 1.712 90 HZ1 LYS 11 3HZ LYS 11 25.402 -17.523 -0.202 91 HZ2 LYS 11 1HZ LYS 11 25.238 -17.636 1.478 92 HZ3 LYS 11 2HZ LYS 11 26.629 -18.230 0.722 93 H ASN 12 H ASN 12 24.631 -8.994 2.253 94 HA ASN 12 HA ASN 12 23.123 -7.683 1.165 95 HB2 ASN 12 2HB ASN 12 24.629 -8.642 -0.827 96 HB3 ASN 12 3HB ASN 12 23.100 -9.396 -1.270 97 HD21 ASN 12 2HD2 ASN 12 22.172 -6.542 -2.959 98 HD22 ASN 12 1HD2 ASN 12 22.357 -8.260 -2.920 99 H GLU 13 H GLU 13 21.080 -7.722 1.801 100 HA GLU 13 HA GLU 13 19.120 -9.411 0.718 101 HB2 GLU 13 2HB GLU 13 20.572 -10.786 2.576 102 HB3 GLU 13 3HB GLU 13 19.274 -10.136 3.567 103 HG2 GLU 13 2HG GLU 13 17.690 -11.079 1.806 104 HG3 GLU 13 3HG GLU 13 19.083 -11.983 1.216 105 H CYS 14 H CYS 14 17.926 -7.560 0.529 106 HA CYS 14 HA CYS 14 17.490 -5.764 2.711 107 HB2 CYS 14 2HB CYS 14 17.424 -5.055 0.332 108 HB3 CYS 14 3HB CYS 14 15.961 -6.010 0.112 109 H LYS 15 H LYS 15 16.165 -6.070 4.361 110 HA LYS 15 HA LYS 15 14.140 -8.151 4.238 111 HB2 LYS 15 2HB LYS 15 15.630 -7.959 6.206 112 HB3 LYS 15 3HB LYS 15 14.955 -6.370 6.542 113 HG2 LYS 15 2HG LYS 15 13.032 -8.599 6.306 114 HG3 LYS 15 3HG LYS 15 14.093 -8.605 7.717 115 HD2 LYS 15 2HD LYS 15 12.624 -6.116 6.936 116 HD3 LYS 15 3HD LYS 15 11.805 -7.386 7.848 117 HE2 LYS 15 2HE LYS 15 14.208 -7.067 9.175 118 HE3 LYS 15 3HE LYS 15 13.763 -5.423 8.723 119 HZ1 LYS 15 3HZ LYS 15 12.875 -6.065 10.894 120 HZ2 LYS 15 1HZ LYS 15 12.004 -7.324 10.175 121 HZ3 LYS 15 2HZ LYS 15 11.637 -5.718 9.794 122 H TYR 16 H TYR 16 11.935 -7.808 4.755 123 HA TYR 16 HA TYR 16 10.829 -5.220 5.136 124 HB2 TYR 16 2HB TYR 16 9.806 -4.823 3.023 125 HB3 TYR 16 3HB TYR 16 11.503 -5.157 2.696 126 HD1 TYR 16 HD1 TYR 16 8.141 -6.029 1.923 127 HD2 TYR 16 HD2 TYR 16 12.107 -7.566 2.005 128 HE1 TYR 16 HE1 TYR 16 7.481 -7.800 0.349 129 HE2 TYR 16 HE2 TYR 16 11.459 -9.340 0.430 130 HH TYR 16 HH TYR 16 9.273 -9.395 -1.482 131 H LYS 17 H LYS 17 8.302 -5.496 4.234 132 HA LYS 17 HA LYS 17 7.389 -8.029 5.433 133 HB2 LYS 17 2HB LYS 17 5.364 -6.730 6.173 134 HB3 LYS 17 3HB LYS 17 6.864 -6.290 6.978 135 HG2 LYS 17 2HG LYS 17 7.052 -4.408 5.292 136 HG3 LYS 17 3HG LYS 17 5.382 -4.775 4.852 137 HD2 LYS 17 2HD LYS 17 5.369 -4.648 7.632 138 HD3 LYS 17 3HD LYS 17 6.417 -3.319 7.129 139 HE2 LYS 17 2HE LYS 17 4.644 -2.548 5.594 140 HE3 LYS 17 3HE LYS 17 3.599 -3.838 6.186 141 HZ1 LYS 17 3HZ LYS 17 4.767 -1.753 7.942 142 HZ2 LYS 17 1HZ LYS 17 3.557 -2.869 8.333 143 HZ3 LYS 17 2HZ LYS 17 3.235 -1.623 7.236 144 H ASN 18 H ASN 18 5.865 -9.180 4.365 145 HA ASN 18 HA ASN 18 4.548 -7.956 2.049 146 HB2 ASN 18 2HB ASN 18 5.255 -9.543 0.531 147 HB3 ASN 18 3HB ASN 18 6.688 -9.412 1.546 148 HD21 ASN 18 2HD2 ASN 18 5.917 -12.530 3.255 149 HD22 ASN 18 1HD2 ASN 18 6.266 -10.886 3.660 150 H ASP 19 H ASP 19 2.775 -9.397 1.193 151 HA ASP 19 HA ASP 19 0.871 -10.616 1.481 152 HB2 ASP 19 2HB ASP 19 2.809 -11.980 3.073 153 HB3 ASP 19 3HB ASP 19 1.287 -11.954 3.959 154 H ALA 20 H ALA 20 1.834 -10.119 4.871 155 HA ALA 20 HA ALA 20 -0.073 -7.997 5.243 156 HB1 ALA 20 1HB ALA 20 -1.473 -9.156 6.872 157 HB2 ALA 20 2HB ALA 20 -1.569 -9.924 5.287 158 HB3 ALA 20 3HB ALA 20 -0.599 -10.656 6.565 159 H GLY 21 H GLY 21 2.809 -8.707 5.683 160 HA2 GLY 21 2HA GLY 21 3.926 -7.311 7.433 161 HA3 GLY 21 3HA GLY 21 2.912 -8.164 8.587 162 H LYS 22 H LYS 22 3.824 -10.261 6.162 163 HA LYS 22 HA LYS 22 5.479 -11.786 7.897 164 HB2 LYS 22 2HB LYS 22 4.405 -12.045 5.166 165 HB3 LYS 22 3HB LYS 22 5.940 -12.860 5.433 166 HG2 LYS 22 2HG LYS 22 4.913 -13.997 7.399 167 HG3 LYS 22 3HG LYS 22 3.366 -13.288 6.930 168 HD2 LYS 22 2HD LYS 22 3.937 -14.366 4.605 169 HD3 LYS 22 3HD LYS 22 4.978 -15.406 5.580 170 HE2 LYS 22 2HE LYS 22 3.238 -16.563 6.361 171 HE3 LYS 22 3HE LYS 22 2.343 -15.095 6.751 172 HZ1 LYS 22 3HZ LYS 22 2.543 -15.910 3.942 173 HZ2 LYS 22 1HZ LYS 22 1.299 -15.084 4.738 174 HZ3 LYS 22 2HZ LYS 22 1.477 -16.753 4.949 175 H ASP 23 H ASP 23 7.565 -11.533 8.307 176 HA ASP 23 HA ASP 23 9.163 -9.597 7.005 177 HB2 ASP 23 2HB ASP 23 9.805 -11.810 8.951 178 HB3 ASP 23 3HB ASP 23 11.043 -10.727 8.320 179 H THR 24 H THR 24 9.993 -9.753 5.039 180 HA THR 24 HA THR 24 11.020 -12.367 4.148 181 HB THR 24 HB THR 24 9.585 -10.321 2.444 182 HG1 THR 24 HG1 THR 24 8.857 -13.015 3.006 183 HG21 THR 24 3HG2 THR 24 10.833 -12.967 1.692 184 HG22 THR 24 1HG2 THR 24 11.401 -11.371 1.203 185 HG23 THR 24 2HG2 THR 24 9.843 -11.967 0.630 186 H PHE 25 H PHE 25 12.925 -12.366 2.982 187 HA PHE 25 HA PHE 25 14.347 -9.787 2.894 188 HB2 PHE 25 2HB PHE 25 15.645 -12.506 3.057 189 HB3 PHE 25 3HB PHE 25 16.394 -10.935 3.320 190 HD1 PHE 25 HD1 PHE 25 16.236 -9.822 5.420 191 HD2 PHE 25 HD2 PHE 25 14.131 -13.458 4.738 192 HE1 PHE 25 HE1 PHE 25 15.786 -10.010 7.832 193 HE2 PHE 25 HE2 PHE 25 13.677 -13.651 7.149 194 HZ PHE 25 HZ PHE 25 14.504 -11.925 8.699 195 H ILE 26 H ILE 26 15.527 -9.250 1.076 196 HA ILE 26 HA ILE 26 15.740 -11.091 -1.141 197 HB ILE 26 HB ILE 26 13.491 -10.282 -1.521 198 HG12 ILE 26 2HG1 ILE 26 13.779 -9.316 -3.760 199 HG13 ILE 26 3HG1 ILE 26 15.452 -8.920 -3.383 200 HG21 ILE 26 1HG2 ILE 26 14.482 -7.884 -0.441 201 HG22 ILE 26 2HG2 ILE 26 13.990 -7.523 -2.094 202 HG23 ILE 26 3HG2 ILE 26 12.836 -8.236 -0.967 203 HD11 ILE 26 3HD1 ILE 26 14.619 -11.166 -4.661 204 HD12 ILE 26 1HD1 ILE 26 16.156 -10.992 -3.814 205 HD13 ILE 26 2HD1 ILE 26 14.779 -11.736 -3.000 206 H LYS 27 H LYS 27 17.656 -10.765 -2.040 207 HA LYS 27 HA LYS 27 19.361 -8.647 -1.341 208 HB2 LYS 27 2HB LYS 27 19.625 -10.326 -3.833 209 HB3 LYS 27 3HB LYS 27 20.909 -9.556 -2.911 210 HG2 LYS 27 2HG LYS 27 21.195 -11.475 -1.847 211 HG3 LYS 27 3HG LYS 27 19.616 -11.233 -1.096 212 HD2 LYS 27 2HD LYS 27 18.963 -12.208 -3.580 213 HD3 LYS 27 3HD LYS 27 20.435 -13.099 -3.188 214 HE2 LYS 27 2HE LYS 27 19.493 -14.080 -1.309 215 HE3 LYS 27 3HE LYS 27 18.248 -12.840 -1.164 216 HZ1 LYS 27 3HZ LYS 27 18.341 -14.748 -3.428 217 HZ2 LYS 27 1HZ LYS 27 17.059 -13.748 -2.961 218 HZ3 LYS 27 2HZ LYS 27 17.493 -15.070 -2.000 219 H CYS 28 H CYS 28 20.557 -7.719 -3.613 220 HA CYS 28 HA CYS 28 18.437 -6.054 -4.800 221 HB2 CYS 28 2HB CYS 28 20.363 -5.054 -3.335 222 HB3 CYS 28 3HB CYS 28 21.328 -5.260 -4.793 223 HA PRO 29 HA PRO 29 20.087 -8.638 -8.260 224 HB2 PRO 29 2HB PRO 29 17.664 -9.012 -9.427 225 HB3 PRO 29 3HB PRO 29 18.274 -10.043 -8.127 226 HG2 PRO 29 2HG PRO 29 16.346 -7.756 -7.985 227 HG3 PRO 29 3HG PRO 29 16.273 -9.333 -7.177 228 HD2 PRO 29 2HD PRO 29 17.104 -7.087 -5.915 229 HD3 PRO 29 3HD PRO 29 17.746 -8.695 -5.523 230 H LYS 30 H LYS 30 18.261 -5.728 -7.977 231 HA LYS 30 HA LYS 30 17.924 -4.989 -10.642 232 HB2 LYS 30 2HB LYS 30 18.337 -3.383 -8.129 233 HB3 LYS 30 3HB LYS 30 18.114 -2.604 -9.690 234 HG2 LYS 30 2HG LYS 30 16.156 -4.592 -8.579 235 HG3 LYS 30 3HG LYS 30 16.056 -2.860 -8.252 236 HD2 LYS 30 2HD LYS 30 14.816 -2.770 -10.117 237 HD3 LYS 30 3HD LYS 30 16.354 -2.918 -10.972 238 HE2 LYS 30 2HE LYS 30 16.053 -5.187 -11.373 239 HE3 LYS 30 3HE LYS 30 14.870 -5.360 -10.078 240 HZ1 LYS 30 3HZ LYS 30 13.797 -3.539 -11.852 241 HZ2 LYS 30 1HZ LYS 30 13.309 -5.142 -11.615 242 HZ3 LYS 30 2HZ LYS 30 14.442 -4.771 -12.815 243 H PHE 31 H PHE 31 20.489 -3.756 -8.488 244 HA PHE 31 HA PHE 31 22.195 -3.432 -10.862 245 HB2 PHE 31 2HB PHE 31 22.979 -2.158 -8.304 246 HB3 PHE 31 3HB PHE 31 23.072 -1.536 -9.949 247 HD1 PHE 31 HD1 PHE 31 20.888 -2.005 -7.033 248 HD2 PHE 31 HD2 PHE 31 21.294 -0.259 -10.893 249 HE1 PHE 31 HE1 PHE 31 18.884 -0.639 -6.621 250 HE2 PHE 31 HE2 PHE 31 19.291 1.111 -10.488 251 HZ PHE 31 HZ PHE 31 18.084 0.923 -8.350 252 H ASP 32 H ASP 32 24.613 -3.570 -10.292 253 HA ASP 32 HA ASP 32 25.063 -5.877 -8.515 254 HB2 ASP 32 2HB ASP 32 25.481 -5.697 -11.331 255 HB3 ASP 32 3HB ASP 32 27.056 -5.820 -10.550 256 H ASN 33 H ASN 33 25.686 -2.686 -9.002 257 HA ASN 33 HA ASN 33 28.230 -2.854 -7.528 258 HB2 ASN 33 2HB ASN 33 27.809 -1.714 -10.082 259 HB3 ASN 33 3HB ASN 33 28.027 -0.371 -8.962 260 HD21 ASN 33 2HD2 ASN 33 31.073 -3.098 -9.217 261 HD22 ASN 33 1HD2 ASN 33 29.426 -3.622 -9.243 262 H LYS 34 H LYS 34 25.080 -2.053 -7.316 263 HA LYS 34 HA LYS 34 25.606 0.082 -5.354 264 HB2 LYS 34 2HB LYS 34 23.090 -0.265 -6.992 265 HB3 LYS 34 3HB LYS 34 23.436 1.041 -5.866 266 HG2 LYS 34 2HG LYS 34 25.021 0.501 -8.366 267 HG3 LYS 34 3HG LYS 34 23.693 1.659 -8.255 268 HD2 LYS 34 2HD LYS 34 25.832 1.893 -6.223 269 HD3 LYS 34 3HD LYS 34 26.263 2.329 -7.879 270 HE2 LYS 34 2HE LYS 34 24.231 3.805 -7.909 271 HE3 LYS 34 3HE LYS 34 24.059 3.488 -6.183 272 HZ1 LYS 34 3HZ LYS 34 26.670 4.242 -6.494 273 HZ2 LYS 34 1HZ LYS 34 25.417 5.200 -5.882 274 HZ3 LYS 34 2HZ LYS 34 25.823 5.284 -7.522 275 H LYS 35 H LYS 35 25.028 -3.043 -5.500 276 HA LYS 35 HA LYS 35 22.731 -3.642 -4.097 277 HB2 LYS 35 2HB LYS 35 24.042 -5.620 -3.209 278 HB3 LYS 35 3HB LYS 35 24.017 -5.437 -4.958 279 HG2 LYS 35 2HG LYS 35 26.267 -4.110 -3.634 280 HG3 LYS 35 3HG LYS 35 26.243 -5.867 -3.466 281 HD2 LYS 35 2HD LYS 35 25.597 -5.214 -6.160 282 HD3 LYS 35 3HD LYS 35 27.046 -4.314 -5.703 283 HE2 LYS 35 2HE LYS 35 27.011 -7.118 -4.835 284 HE3 LYS 35 3HE LYS 35 27.024 -6.889 -6.583 285 HZ1 LYS 35 3HZ LYS 35 29.177 -6.455 -6.466 286 HZ2 LYS 35 1HZ LYS 35 29.159 -6.653 -4.785 287 HZ3 LYS 35 2HZ LYS 35 28.881 -5.127 -5.460 288 H CYS 36 H CYS 36 22.332 -4.093 -1.863 289 HA CYS 36 HA CYS 36 23.017 -2.051 -0.114 290 HB2 CYS 36 2HB CYS 36 21.841 -4.779 0.243 291 HB3 CYS 36 3HB CYS 36 22.300 -3.853 1.668 292 H THR 37 H THR 37 25.031 -1.573 0.485 293 HA THR 37 HA THR 37 26.782 -3.773 1.367 294 HB THR 37 HB THR 37 27.701 -2.652 -0.590 295 HG1 THR 37 HG1 THR 37 29.683 -2.503 0.266 296 HG21 THR 37 3HG2 THR 37 28.504 -0.152 0.213 297 HG22 THR 37 1HG2 THR 37 26.873 -0.260 0.874 298 HG23 THR 37 2HG2 THR 37 27.142 -0.494 -0.854 299 H LYS 38 H LYS 38 24.985 -2.843 3.187 300 HA LYS 38 HA LYS 38 26.717 -1.833 5.243 301 HB2 LYS 38 2HB LYS 38 25.131 0.024 3.772 302 HB3 LYS 38 3HB LYS 38 24.454 -0.107 5.389 303 HG2 LYS 38 2HG LYS 38 27.388 0.184 5.202 304 HG3 LYS 38 3HG LYS 38 26.414 1.588 4.757 305 HD2 LYS 38 2HD LYS 38 25.833 1.990 6.884 306 HD3 LYS 38 3HD LYS 38 25.512 0.285 7.209 307 HE2 LYS 38 2HE LYS 38 27.770 -0.149 7.714 308 HE3 LYS 38 3HE LYS 38 28.305 1.373 7.003 309 HZ1 LYS 38 3HZ LYS 38 27.965 1.015 9.612 310 HZ2 LYS 38 1HZ LYS 38 26.427 1.593 9.207 311 HZ3 LYS 38 2HZ LYS 38 27.798 2.519 8.855 312 H ASP 39 H ASP 39 25.803 -2.010 7.350 313 HA ASP 39 HA ASP 39 23.743 -4.049 7.495 314 HB2 ASP 39 2HB ASP 39 24.308 -4.080 9.922 315 HB3 ASP 39 3HB ASP 39 25.699 -4.364 8.879 316 H ASN 40 H ASN 40 21.667 -3.582 7.727 317 HA ASN 40 HA ASN 40 19.730 -2.547 8.323 318 HB2 ASN 40 2HB ASN 40 21.218 -0.785 10.244 319 HB3 ASN 40 3HB ASN 40 19.605 -1.476 10.393 320 HD21 ASN 40 2HD2 ASN 40 22.472 -3.223 12.323 321 HD22 ASN 40 1HD2 ASN 40 22.332 -1.556 11.894 322 H ASN 41 H ASN 41 21.068 -1.586 6.094 323 HA ASN 41 HA ASN 41 21.206 1.287 6.178 324 HB2 ASN 41 2HB ASN 41 21.635 1.122 3.766 325 HB3 ASN 41 3HB ASN 41 22.657 0.006 4.668 326 HD21 ASN 41 2HD2 ASN 41 21.467 -2.837 3.105 327 HD22 ASN 41 1HD2 ASN 41 22.543 -2.119 4.250 328 H LYS 42 H LYS 42 20.024 2.117 3.869 329 HA LYS 42 HA LYS 42 17.173 1.788 4.499 330 HB2 LYS 42 2HB LYS 42 18.392 4.082 4.516 331 HB3 LYS 42 3HB LYS 42 18.293 3.969 2.764 332 HG2 LYS 42 2HG LYS 42 15.761 3.437 4.115 333 HG3 LYS 42 3HG LYS 42 16.396 5.060 4.394 334 HD2 LYS 42 2HD LYS 42 16.786 4.995 1.791 335 HD3 LYS 42 3HD LYS 42 15.518 3.768 1.855 336 HE2 LYS 42 2HE LYS 42 14.975 6.208 3.403 337 HE3 LYS 42 3HE LYS 42 15.075 6.440 1.658 338 HZ1 LYS 42 3HZ LYS 42 13.540 4.266 1.795 339 HZ2 LYS 42 1HZ LYS 42 12.926 5.842 1.748 340 HZ3 LYS 42 2HZ LYS 42 13.080 5.039 3.228 341 H CYS 43 H CYS 43 16.203 0.339 3.241 342 HA CYS 43 HA CYS 43 16.448 0.595 0.352 343 HB2 CYS 43 2HB CYS 43 16.860 -1.780 0.002 344 HB3 CYS 43 3HB CYS 43 18.150 -1.083 0.976 345 H THR 44 H THR 44 14.568 0.223 -0.685 346 HA THR 44 HA THR 44 12.316 -0.749 0.944 347 HB THR 44 HB THR 44 10.933 0.428 -0.899 348 HG1 THR 44 HG1 THR 44 12.250 1.164 -2.410 349 HG21 THR 44 3HG2 THR 44 12.365 1.547 1.415 350 HG22 THR 44 1HG2 THR 44 10.645 1.566 1.030 351 HG23 THR 44 2HG2 THR 44 11.729 2.738 0.281 352 H VAL 45 H VAL 45 10.858 -2.231 0.081 353 HA VAL 45 HA VAL 45 11.794 -3.631 -2.339 354 HB VAL 45 HB VAL 45 10.333 -4.791 0.038 355 HG11 VAL 45 1HG1 VAL 45 11.239 -6.915 -1.361 356 HG12 VAL 45 2HG1 VAL 45 9.615 -6.245 -1.529 357 HG13 VAL 45 3HG1 VAL 45 10.879 -5.797 -2.675 358 HG21 VAL 45 3HG2 VAL 45 12.967 -5.844 -0.698 359 HG22 VAL 45 1HG2 VAL 45 12.983 -4.176 -0.124 360 HG23 VAL 45 2HG2 VAL 45 12.304 -5.451 0.888 361 H ASP 46 H ASP 46 10.298 -4.285 -3.861 362 HA ASP 46 HA ASP 46 7.606 -3.128 -3.554 363 HB2 ASP 46 2HB ASP 46 9.549 -2.896 -5.646 364 HB3 ASP 46 3HB ASP 46 8.122 -3.711 -6.282 365 H THR 47 H THR 47 5.858 -4.402 -3.770 366 HA THR 47 HA THR 47 6.336 -7.241 -4.390 367 HB THR 47 HB THR 47 5.493 -6.768 -2.102 368 HG1 THR 47 HG1 THR 47 3.501 -8.090 -3.640 369 HG21 THR 47 3HG2 THR 47 4.125 -4.792 -2.677 370 HG22 THR 47 1HG2 THR 47 3.210 -6.004 -1.781 371 HG23 THR 47 2HG2 THR 47 2.992 -5.845 -3.524 372 H TYR 48 H TYR 48 5.411 -4.643 -5.978 373 HA TYR 48 HA TYR 48 3.200 -5.994 -7.382 374 HB2 TYR 48 2HB TYR 48 2.692 -3.782 -6.233 375 HB3 TYR 48 3HB TYR 48 3.743 -3.026 -7.424 376 HD1 TYR 48 HD1 TYR 48 3.129 -3.167 -9.857 377 HD2 TYR 48 HD2 TYR 48 0.461 -4.361 -6.765 378 HE1 TYR 48 HE1 TYR 48 1.247 -3.022 -11.433 379 HE2 TYR 48 HE2 TYR 48 -1.428 -4.221 -8.333 380 HH TYR 48 HH TYR 48 -1.483 -4.412 -11.170 381 H ASN 49 H ASN 49 6.345 -4.617 -7.625 382 HA ASN 49 HA ASN 49 6.306 -5.037 -10.542 383 HB2 ASN 49 2HB ASN 49 6.668 -2.711 -10.171 384 HB3 ASN 49 3HB ASN 49 7.834 -3.027 -8.889 385 HD21 ASN 49 2HD2 ASN 49 10.552 -3.514 -11.021 386 HD22 ASN 49 1HD2 ASN 49 9.913 -3.712 -9.428 387 H ASN 50 H ASN 50 7.562 -6.060 -7.586 388 HA ASN 50 HA ASN 50 9.102 -7.631 -7.010 389 HB2 ASN 50 2HB ASN 50 8.032 -8.722 -9.111 390 HB3 ASN 50 3HB ASN 50 9.534 -8.274 -9.914 391 HD21 ASN 50 2HD2 ASN 50 9.407 -11.330 -7.248 392 HD22 ASN 50 1HD2 ASN 50 8.074 -10.251 -7.455 393 H ALA 51 H ALA 51 10.486 -5.881 -6.361 394 HA ALA 51 HA ALA 51 13.101 -6.085 -7.339 395 HB1 ALA 51 1HB ALA 51 12.301 -3.334 -7.976 396 HB2 ALA 51 2HB ALA 51 13.399 -4.425 -8.822 397 HB3 ALA 51 3HB ALA 51 11.657 -4.566 -9.062 398 H VAL 52 H VAL 52 14.564 -4.397 -6.363 399 HA VAL 52 HA VAL 52 13.403 -3.254 -3.911 400 HB VAL 52 HB VAL 52 14.773 -5.439 -3.621 401 HG11 VAL 52 1HG1 VAL 52 16.635 -4.612 -5.083 402 HG12 VAL 52 2HG1 VAL 52 17.056 -3.482 -3.795 403 HG13 VAL 52 3HG1 VAL 52 17.142 -5.220 -3.508 404 HG21 VAL 52 3HG2 VAL 52 15.561 -4.698 -1.467 405 HG22 VAL 52 1HG2 VAL 52 15.519 -3.015 -1.990 406 HG23 VAL 52 2HG2 VAL 52 14.016 -3.920 -1.812 407 H ASP 53 H ASP 53 14.709 -1.528 -2.952 408 HA ASP 53 HA ASP 53 16.307 -0.101 -4.977 409 HB2 ASP 53 2HB ASP 53 14.151 0.855 -3.144 410 HB3 ASP 53 3HB ASP 53 15.468 1.958 -3.536 411 H CYS 54 H CYS 54 17.885 -1.607 -3.679 412 HA CYS 54 HA CYS 54 18.694 -1.105 -1.096 413 HB2 CYS 54 2HB CYS 54 21.005 -1.792 -1.923 414 HB3 CYS 54 3HB CYS 54 19.695 -2.928 -2.226 415 H ASP 55 H ASP 55 20.433 0.146 -0.212 416 HA ASP 55 HA ASP 55 20.388 2.856 -1.037 417 HB2 ASP 55 2HB ASP 55 20.718 2.538 1.262 418 HB3 ASP 55 3HB ASP 55 21.966 1.321 1.008 Start of MODEL 10 1 H1 ALA 1 H ALA 1 3.247 2.442 -2.883 2 HA ALA 1 HA ALA 1 2.153 1.305 -0.634 3 HB1 ALA 1 1HB ALA 1 1.004 0.150 -3.156 4 HB2 ALA 1 2HB ALA 1 1.104 -0.780 -1.660 5 HB3 ALA 1 3HB ALA 1 0.158 0.707 -1.711 6 H LYS 2 H LYS 2 4.637 1.599 -0.969 7 HA LYS 2 HA LYS 2 5.768 -0.934 -1.960 8 HB2 LYS 2 2HB LYS 2 7.948 0.365 -1.990 9 HB3 LYS 2 3HB LYS 2 6.747 0.842 -3.182 10 HG2 LYS 2 2HG LYS 2 6.631 2.910 -2.378 11 HG3 LYS 2 3HG LYS 2 6.488 2.340 -0.714 12 HD2 LYS 2 2HD LYS 2 8.511 3.321 -0.495 13 HD3 LYS 2 3HD LYS 2 9.087 1.799 -1.178 14 HE2 LYS 2 2HE LYS 2 10.004 2.965 -2.832 15 HE3 LYS 2 3HE LYS 2 8.379 3.387 -3.369 16 HZ1 LYS 2 3HZ LYS 2 9.522 5.404 -3.086 17 HZ2 LYS 2 1HZ LYS 2 10.167 4.940 -1.592 18 HZ3 LYS 2 2HZ LYS 2 8.515 5.276 -1.732 19 H TYR 3 H TYR 3 6.909 -2.217 -0.611 20 HA TYR 3 HA TYR 3 6.713 -1.722 2.208 21 HB2 TYR 3 2HB TYR 3 8.216 -3.945 0.816 22 HB3 TYR 3 3HB TYR 3 7.655 -3.924 2.484 23 HD1 TYR 3 HD1 TYR 3 5.050 -3.616 2.770 24 HD2 TYR 3 HD2 TYR 3 6.936 -5.037 -0.769 25 HE1 TYR 3 HE1 TYR 3 2.940 -4.675 2.078 26 HE2 TYR 3 HE2 TYR 3 4.832 -6.099 -1.471 27 HH TYR 3 HH TYR 3 1.859 -5.708 0.408 28 H THR 4 H THR 4 8.114 -0.626 3.393 29 HA THR 4 HA THR 4 10.803 -0.133 2.335 30 HB THR 4 HB THR 4 9.412 1.230 4.648 31 HG1 THR 4 HG1 THR 4 8.333 1.827 2.807 32 HG21 THR 4 3HG2 THR 4 11.935 1.901 3.131 33 HG22 THR 4 1HG2 THR 4 11.826 1.380 4.811 34 HG23 THR 4 2HG2 THR 4 11.170 2.944 4.329 35 H GLY 5 H GLY 5 12.617 -0.842 3.322 36 HA2 GLY 5 2HA GLY 5 12.574 -1.757 6.067 37 HA3 GLY 5 3HA GLY 5 12.767 -3.039 4.881 38 H LYS 6 H LYS 6 14.835 -3.532 5.695 39 HA LYS 6 HA LYS 6 16.919 -1.767 4.655 40 HB2 LYS 6 2HB LYS 6 17.207 -2.974 7.396 41 HB3 LYS 6 3HB LYS 6 18.183 -1.717 6.648 42 HG2 LYS 6 2HG LYS 6 16.946 -0.432 8.046 43 HG3 LYS 6 3HG LYS 6 15.868 -0.433 6.648 44 HD2 LYS 6 2HD LYS 6 14.331 -1.767 7.664 45 HD3 LYS 6 3HD LYS 6 15.547 -2.643 8.596 46 HE2 LYS 6 2HE LYS 6 15.740 -0.149 9.664 47 HE3 LYS 6 3HE LYS 6 14.024 -0.223 9.267 48 HZ1 LYS 6 3HZ LYS 6 13.643 -1.670 10.901 49 HZ2 LYS 6 1HZ LYS 6 15.159 -1.227 11.508 50 HZ3 LYS 6 2HZ LYS 6 15.006 -2.605 10.539 51 H CYS 7 H CYS 7 18.940 -2.826 4.277 52 HA CYS 7 HA CYS 7 18.645 -5.740 3.985 53 HB2 CYS 7 2HB CYS 7 20.829 -4.430 2.513 54 HB3 CYS 7 3HB CYS 7 19.647 -5.613 1.961 55 H THR 8 H THR 8 21.239 -6.471 3.561 56 HA THR 8 HA THR 8 22.745 -5.573 5.911 57 HB THR 8 HB THR 8 22.943 -8.462 5.497 58 HG1 THR 8 HG1 THR 8 20.798 -8.586 5.224 59 HG21 THR 8 3HG2 THR 8 23.951 -7.432 7.410 60 HG22 THR 8 1HG2 THR 8 22.604 -8.415 7.981 61 HG23 THR 8 2HG2 THR 8 22.431 -6.664 7.865 62 H LYS 9 H LYS 9 24.738 -5.062 5.319 63 HA LYS 9 HA LYS 9 25.795 -5.494 2.769 64 HB2 LYS 9 2HB LYS 9 27.816 -4.543 3.584 65 HB3 LYS 9 3HB LYS 9 26.507 -3.741 4.442 66 HG2 LYS 9 2HG LYS 9 27.760 -4.162 6.249 67 HG3 LYS 9 3HG LYS 9 27.045 -5.772 6.142 68 HD2 LYS 9 2HD LYS 9 29.198 -6.445 6.156 69 HD3 LYS 9 3HD LYS 9 29.126 -6.044 4.439 70 HE2 LYS 9 2HE LYS 9 29.696 -3.628 5.642 71 HE3 LYS 9 3HE LYS 9 30.624 -4.785 6.594 72 HZ1 LYS 9 3HZ LYS 9 30.764 -5.078 3.702 73 HZ2 LYS 9 1HZ LYS 9 31.975 -5.261 4.870 74 HZ3 LYS 9 2HZ LYS 9 31.525 -3.715 4.352 75 H SER 10 H SER 10 25.641 -7.570 5.482 76 HA SER 10 HA SER 10 27.881 -9.155 5.278 77 HB2 SER 10 2HB SER 10 25.091 -9.593 6.186 78 HB3 SER 10 3HB SER 10 26.041 -11.042 5.854 79 HG SER 10 HG SER 10 26.211 -10.245 8.041 80 H LYS 11 H LYS 11 24.795 -10.325 3.972 81 HA LYS 11 HA LYS 11 26.230 -11.213 1.559 82 HB2 LYS 11 2HB LYS 11 24.931 -12.820 3.553 83 HB3 LYS 11 3HB LYS 11 24.079 -12.991 2.024 84 HG2 LYS 11 2HG LYS 11 26.911 -13.128 1.589 85 HG3 LYS 11 3HG LYS 11 26.424 -14.282 2.833 86 HD2 LYS 11 2HD LYS 11 24.607 -15.039 1.259 87 HD3 LYS 11 3HD LYS 11 25.379 -14.050 0.017 88 HE2 LYS 11 2HE LYS 11 27.373 -15.649 1.269 89 HE3 LYS 11 3HE LYS 11 26.021 -16.691 0.830 90 HZ1 LYS 11 3HZ LYS 11 27.778 -16.374 -0.915 91 HZ2 LYS 11 1HZ LYS 11 27.244 -14.776 -1.070 92 HZ3 LYS 11 2HZ LYS 11 26.193 -16.056 -1.416 93 H ASN 12 H ASN 12 24.257 -8.975 2.411 94 HA ASN 12 HA ASN 12 22.663 -7.739 1.357 95 HB2 ASN 12 2HB ASN 12 24.008 -9.050 -0.707 96 HB3 ASN 12 3HB ASN 12 22.302 -9.337 -1.041 97 HD21 ASN 12 2HD2 ASN 12 22.210 -6.293 -2.672 98 HD22 ASN 12 1HD2 ASN 12 21.993 -8.006 -2.724 99 H GLU 13 H GLU 13 20.574 -7.726 1.860 100 HA GLU 13 HA GLU 13 18.692 -9.643 1.069 101 HB2 GLU 13 2HB GLU 13 20.170 -10.325 3.453 102 HB3 GLU 13 3HB GLU 13 18.467 -10.103 3.831 103 HG2 GLU 13 2HG GLU 13 17.806 -11.793 2.333 104 HG3 GLU 13 3HG GLU 13 19.393 -11.840 1.567 105 H CYS 14 H CYS 14 17.672 -7.664 0.564 106 HA CYS 14 HA CYS 14 17.058 -5.698 2.519 107 HB2 CYS 14 2HB CYS 14 17.099 -5.468 -0.051 108 HB3 CYS 14 3HB CYS 14 15.470 -6.135 -0.001 109 H LYS 15 H LYS 15 15.832 -6.133 4.232 110 HA LYS 15 HA LYS 15 13.772 -8.133 4.186 111 HB2 LYS 15 2HB LYS 15 15.273 -7.466 6.168 112 HB3 LYS 15 3HB LYS 15 14.182 -6.102 6.370 113 HG2 LYS 15 2HG LYS 15 12.973 -8.800 6.181 114 HG3 LYS 15 3HG LYS 15 13.849 -8.392 7.659 115 HD2 LYS 15 2HD LYS 15 11.989 -6.329 6.680 116 HD3 LYS 15 3HD LYS 15 11.235 -7.828 7.230 117 HE2 LYS 15 2HE LYS 15 13.150 -7.269 9.160 118 HE3 LYS 15 3HE LYS 15 12.465 -5.695 8.761 119 HZ1 LYS 15 3HZ LYS 15 11.373 -7.621 10.411 120 HZ2 LYS 15 1HZ LYS 15 10.414 -7.629 9.018 121 HZ3 LYS 15 2HZ LYS 15 10.636 -6.193 9.882 122 H TYR 16 H TYR 16 11.536 -7.783 4.590 123 HA TYR 16 HA TYR 16 10.359 -5.205 4.633 124 HB2 TYR 16 2HB TYR 16 9.407 -5.085 2.435 125 HB3 TYR 16 3HB TYR 16 11.143 -5.311 2.251 126 HD1 TYR 16 HD1 TYR 16 7.952 -6.448 1.251 127 HD2 TYR 16 HD2 TYR 16 11.934 -7.783 1.932 128 HE1 TYR 16 HE1 TYR 16 7.537 -8.400 -0.187 129 HE2 TYR 16 HE2 TYR 16 11.531 -9.738 0.495 130 HH TYR 16 HH TYR 16 9.444 -10.044 -1.653 131 H LYS 17 H LYS 17 7.892 -5.655 3.599 132 HA LYS 17 HA LYS 17 6.967 -8.062 5.025 133 HB2 LYS 17 2HB LYS 17 6.272 -6.210 6.331 134 HB3 LYS 17 3HB LYS 17 5.783 -5.294 4.911 135 HG2 LYS 17 2HG LYS 17 3.980 -6.960 4.529 136 HG3 LYS 17 3HG LYS 17 4.426 -7.723 6.058 137 HD2 LYS 17 2HD LYS 17 3.521 -4.864 5.714 138 HD3 LYS 17 3HD LYS 17 2.529 -6.191 6.324 139 HE2 LYS 17 2HE LYS 17 3.227 -5.537 8.348 140 HE3 LYS 17 3HE LYS 17 4.740 -6.338 7.926 141 HZ1 LYS 17 3HZ LYS 17 4.249 -3.504 7.244 142 HZ2 LYS 17 1HZ LYS 17 5.726 -4.324 7.344 143 HZ3 LYS 17 2HZ LYS 17 4.866 -3.955 8.753 144 H ASN 18 H ASN 18 5.308 -9.258 4.112 145 HA ASN 18 HA ASN 18 4.414 -8.440 1.433 146 HB2 ASN 18 2HB ASN 18 4.496 -11.154 1.194 147 HB3 ASN 18 3HB ASN 18 5.767 -10.070 0.636 148 HD21 ASN 18 2HD2 ASN 18 6.465 -12.724 3.544 149 HD22 ASN 18 1HD2 ASN 18 4.983 -12.639 2.661 150 H ASP 19 H ASP 19 3.842 -11.333 3.414 151 HA ASP 19 HA ASP 19 1.128 -11.536 2.866 152 HB2 ASP 19 2HB ASP 19 2.828 -12.535 5.135 153 HB3 ASP 19 3HB ASP 19 1.092 -12.830 5.114 154 H ALA 20 H ALA 20 2.290 -10.715 6.122 155 HA ALA 20 HA ALA 20 0.540 -8.396 6.224 156 HB1 ALA 20 1HB ALA 20 -0.664 -9.150 8.200 157 HB2 ALA 20 2HB ALA 20 -0.939 -10.246 6.845 158 HB3 ALA 20 3HB ALA 20 0.175 -10.701 8.134 159 H GLY 21 H GLY 21 2.820 -10.520 7.897 160 HA2 GLY 21 2HA GLY 21 4.269 -8.211 8.869 161 HA3 GLY 21 3HA GLY 21 3.503 -9.167 10.130 162 H LYS 22 H LYS 22 4.586 -10.817 7.307 163 HA LYS 22 HA LYS 22 6.537 -12.264 8.889 164 HB2 LYS 22 2HB LYS 22 5.213 -12.644 6.251 165 HB3 LYS 22 3HB LYS 22 6.785 -13.397 6.483 166 HG2 LYS 22 2HG LYS 22 5.286 -15.056 7.095 167 HG3 LYS 22 3HG LYS 22 5.780 -14.360 8.640 168 HD2 LYS 22 2HD LYS 22 3.581 -12.845 7.782 169 HD3 LYS 22 3HD LYS 22 3.158 -14.530 7.469 170 HE2 LYS 22 2HE LYS 22 4.191 -13.473 10.098 171 HE3 LYS 22 3HE LYS 22 2.490 -13.742 9.724 172 HZ1 LYS 22 3HZ LYS 22 4.629 -15.712 10.148 173 HZ2 LYS 22 1HZ LYS 22 3.317 -16.118 9.159 174 HZ3 LYS 22 2HZ LYS 22 3.057 -15.684 10.773 175 H ASP 23 H ASP 23 8.446 -11.292 9.160 176 HA ASP 23 HA ASP 23 9.588 -9.393 7.445 177 HB2 ASP 23 2HB ASP 23 11.209 -11.173 9.253 178 HB3 ASP 23 3HB ASP 23 11.504 -9.491 8.818 179 H THR 24 H THR 24 9.716 -10.021 5.329 180 HA THR 24 HA THR 24 11.264 -12.440 4.710 181 HB THR 24 HB THR 24 9.551 -10.779 2.852 182 HG1 THR 24 HG1 THR 24 8.492 -12.052 4.614 183 HG21 THR 24 3HG2 THR 24 11.237 -13.210 2.511 184 HG22 THR 24 1HG2 THR 24 10.957 -11.868 1.403 185 HG23 THR 24 2HG2 THR 24 9.723 -13.111 1.613 186 H PHE 25 H PHE 25 13.146 -12.363 3.585 187 HA PHE 25 HA PHE 25 14.232 -9.685 3.041 188 HB2 PHE 25 2HB PHE 25 15.715 -12.288 3.470 189 HB3 PHE 25 3HB PHE 25 16.449 -10.703 3.248 190 HD1 PHE 25 HD1 PHE 25 16.793 -9.271 5.063 191 HD2 PHE 25 HD2 PHE 25 14.276 -12.675 5.506 192 HE1 PHE 25 HE1 PHE 25 16.713 -8.891 7.493 193 HE2 PHE 25 HE2 PHE 25 14.192 -12.300 7.936 194 HZ PHE 25 HZ PHE 25 15.411 -10.406 8.933 195 H ILE 26 H ILE 26 15.004 -9.150 1.057 196 HA ILE 26 HA ILE 26 15.018 -11.226 -1.024 197 HB ILE 26 HB ILE 26 12.914 -10.058 -1.284 198 HG12 ILE 26 2HG1 ILE 26 13.191 -9.229 -3.588 199 HG13 ILE 26 3HG1 ILE 26 14.933 -9.152 -3.349 200 HG21 ILE 26 1HG2 ILE 26 12.681 -7.921 -0.740 201 HG22 ILE 26 2HG2 ILE 26 14.416 -7.809 -0.453 202 HG23 ILE 26 3HG2 ILE 26 13.763 -7.455 -2.052 203 HD11 ILE 26 3HD1 ILE 26 13.363 -11.698 -3.099 204 HD12 ILE 26 1HD1 ILE 26 14.076 -11.144 -4.614 205 HD13 ILE 26 2HD1 ILE 26 15.111 -11.502 -3.231 206 H LYS 27 H LYS 27 16.846 -11.245 -2.148 207 HA LYS 27 HA LYS 27 19.009 -9.580 -1.647 208 HB2 LYS 27 2HB LYS 27 20.054 -10.574 -3.599 209 HB3 LYS 27 3HB LYS 27 19.174 -11.807 -2.705 210 HG2 LYS 27 2HG LYS 27 17.466 -11.907 -4.310 211 HG3 LYS 27 3HG LYS 27 17.974 -10.394 -5.064 212 HD2 LYS 27 2HD LYS 27 19.727 -11.378 -6.173 213 HD3 LYS 27 3HD LYS 27 19.901 -12.665 -4.977 214 HE2 LYS 27 2HE LYS 27 17.376 -13.078 -6.012 215 HE3 LYS 27 3HE LYS 27 18.316 -12.578 -7.417 216 HZ1 LYS 27 3HZ LYS 27 18.846 -14.862 -5.605 217 HZ2 LYS 27 1HZ LYS 27 19.982 -14.295 -6.723 218 HZ3 LYS 27 2HZ LYS 27 18.502 -14.911 -7.260 219 H CYS 28 H CYS 28 20.155 -8.440 -3.650 220 HA CYS 28 HA CYS 28 18.227 -6.444 -4.631 221 HB2 CYS 28 2HB CYS 28 20.364 -5.942 -3.096 222 HB3 CYS 28 3HB CYS 28 21.145 -5.876 -4.672 223 HA PRO 29 HA PRO 29 19.497 -8.691 -8.434 224 HB2 PRO 29 2HB PRO 29 17.097 -8.385 -9.666 225 HB3 PRO 29 3HB PRO 29 17.432 -9.695 -8.528 226 HG2 PRO 29 2HG PRO 29 16.006 -7.104 -8.066 227 HG3 PRO 29 3HG PRO 29 15.582 -8.731 -7.502 228 HD2 PRO 29 2HD PRO 29 16.802 -6.910 -5.912 229 HD3 PRO 29 3HD PRO 29 17.087 -8.655 -5.758 230 H LYS 30 H LYS 30 18.241 -5.543 -7.759 231 HA LYS 30 HA LYS 30 18.286 -4.429 -10.342 232 HB2 LYS 30 2HB LYS 30 18.438 -3.306 -7.569 233 HB3 LYS 30 3HB LYS 30 18.726 -2.252 -8.947 234 HG2 LYS 30 2HG LYS 30 16.274 -3.956 -8.845 235 HG3 LYS 30 3HG LYS 30 16.347 -2.434 -7.953 236 HD2 LYS 30 2HD LYS 30 17.185 -2.416 -10.804 237 HD3 LYS 30 3HD LYS 30 15.461 -2.563 -10.453 238 HE2 LYS 30 2HE LYS 30 16.498 -0.537 -8.773 239 HE3 LYS 30 3HE LYS 30 17.118 -0.238 -10.396 240 HZ1 LYS 30 3HZ LYS 30 14.937 0.823 -9.893 241 HZ2 LYS 30 1HZ LYS 30 14.251 -0.721 -9.807 242 HZ3 LYS 30 2HZ LYS 30 14.924 -0.174 -11.259 243 H PHE 31 H PHE 31 20.660 -3.845 -7.743 244 HA PHE 31 HA PHE 31 22.700 -3.443 -9.822 245 HB2 PHE 31 2HB PHE 31 23.239 -2.679 -7.000 246 HB3 PHE 31 3HB PHE 31 23.707 -1.872 -8.493 247 HD1 PHE 31 HD1 PHE 31 22.326 -0.204 -9.486 248 HD2 PHE 31 HD2 PHE 31 20.995 -2.351 -6.060 249 HE1 PHE 31 HE1 PHE 31 20.497 1.415 -9.185 250 HE2 PHE 31 HE2 PHE 31 19.164 -0.737 -5.755 251 HZ PHE 31 HZ PHE 31 18.913 1.149 -7.319 252 H ASP 32 H ASP 32 24.763 -4.380 -9.597 253 HA ASP 32 HA ASP 32 24.794 -6.771 -7.877 254 HB2 ASP 32 2HB ASP 32 26.458 -6.353 -10.360 255 HB3 ASP 32 3HB ASP 32 26.162 -7.860 -9.497 256 H ASN 33 H ASN 33 26.482 -3.874 -8.782 257 HA ASN 33 HA ASN 33 28.615 -4.546 -6.862 258 HB2 ASN 33 2HB ASN 33 28.868 -3.819 -9.552 259 HB3 ASN 33 3HB ASN 33 29.294 -2.367 -8.651 260 HD21 ASN 33 2HD2 ASN 33 31.499 -5.725 -7.857 261 HD22 ASN 33 1HD2 ASN 33 29.785 -5.828 -8.048 262 H LYS 34 H LYS 34 26.010 -2.508 -7.563 263 HA LYS 34 HA LYS 34 26.917 -0.567 -5.539 264 HB2 LYS 34 2HB LYS 34 24.960 -0.067 -7.789 265 HB3 LYS 34 3HB LYS 34 25.543 1.118 -6.628 266 HG2 LYS 34 2HG LYS 34 27.369 -0.339 -8.516 267 HG3 LYS 34 3HG LYS 34 26.585 1.189 -8.922 268 HD2 LYS 34 2HD LYS 34 28.300 0.802 -6.475 269 HD3 LYS 34 3HD LYS 34 28.928 1.380 -8.020 270 HE2 LYS 34 2HE LYS 34 28.180 3.440 -7.634 271 HE3 LYS 34 3HE LYS 34 26.566 2.846 -7.247 272 HZ1 LYS 34 3HZ LYS 34 26.970 3.379 -5.150 273 HZ2 LYS 34 1HZ LYS 34 28.572 3.796 -5.499 274 HZ3 LYS 34 2HZ LYS 34 28.182 2.201 -5.094 275 H LYS 35 H LYS 35 25.421 -3.150 -5.292 276 HA LYS 35 HA LYS 35 22.724 -2.475 -4.607 277 HB2 LYS 35 2HB LYS 35 22.551 -4.752 -3.804 278 HB3 LYS 35 3HB LYS 35 23.396 -4.740 -5.347 279 HG2 LYS 35 2HG LYS 35 25.451 -4.556 -3.545 280 HG3 LYS 35 3HG LYS 35 24.302 -5.610 -2.718 281 HD2 LYS 35 2HD LYS 35 24.243 -6.656 -5.216 282 HD3 LYS 35 3HD LYS 35 25.912 -6.085 -5.138 283 HE2 LYS 35 2HE LYS 35 26.462 -7.851 -3.912 284 HE3 LYS 35 3HE LYS 35 25.305 -7.360 -2.676 285 HZ1 LYS 35 3HZ LYS 35 23.577 -8.558 -3.884 286 HZ2 LYS 35 1HZ LYS 35 24.844 -9.591 -3.446 287 HZ3 LYS 35 2HZ LYS 35 24.707 -9.051 -5.043 288 H CYS 36 H CYS 36 22.232 -3.675 -2.218 289 HA CYS 36 HA CYS 36 22.816 -1.679 -0.356 290 HB2 CYS 36 2HB CYS 36 21.723 -4.458 -0.169 291 HB3 CYS 36 3HB CYS 36 22.154 -3.610 1.313 292 H THR 37 H THR 37 24.779 -1.173 0.353 293 HA THR 37 HA THR 37 26.600 -3.365 1.110 294 HB THR 37 HB THR 37 28.490 -1.919 0.605 295 HG1 THR 37 HG1 THR 37 28.238 0.162 0.249 296 HG21 THR 37 3HG2 THR 37 28.474 -2.436 -1.584 297 HG22 THR 37 1HG2 THR 37 27.006 -1.510 -1.891 298 HG23 THR 37 2HG2 THR 37 26.897 -3.147 -1.243 299 H LYS 38 H LYS 38 24.693 -2.400 2.897 300 HA LYS 38 HA LYS 38 26.417 -1.477 5.024 301 HB2 LYS 38 2HB LYS 38 24.820 0.392 3.596 302 HB3 LYS 38 3HB LYS 38 24.097 0.183 5.185 303 HG2 LYS 38 2HG LYS 38 27.030 0.571 5.068 304 HG3 LYS 38 3HG LYS 38 26.005 1.962 4.707 305 HD2 LYS 38 2HD LYS 38 25.311 2.161 6.842 306 HD3 LYS 38 3HD LYS 38 25.212 0.415 7.078 307 HE2 LYS 38 2HE LYS 38 27.269 0.304 7.962 308 HE3 LYS 38 3HE LYS 38 27.942 1.411 6.766 309 HZ1 LYS 38 3HZ LYS 38 26.185 2.633 8.713 310 HZ2 LYS 38 1HZ LYS 38 27.678 3.162 8.118 311 HZ3 LYS 38 2HZ LYS 38 27.620 2.007 9.352 312 H ASP 39 H ASP 39 25.489 -1.743 7.117 313 HA ASP 39 HA ASP 39 23.482 -3.837 7.180 314 HB2 ASP 39 2HB ASP 39 24.034 -3.967 9.589 315 HB3 ASP 39 3HB ASP 39 25.462 -4.109 8.567 316 H ASN 40 H ASN 40 21.393 -3.435 7.412 317 HA ASN 40 HA ASN 40 19.424 -2.469 8.017 318 HB2 ASN 40 2HB ASN 40 20.888 -0.758 10.011 319 HB3 ASN 40 3HB ASN 40 19.257 -1.416 10.110 320 HD21 ASN 40 2HD2 ASN 40 22.123 -3.302 11.963 321 HD22 ASN 40 1HD2 ASN 40 22.076 -1.628 11.538 322 H ASN 41 H ASN 41 20.677 -1.419 5.816 323 HA ASN 41 HA ASN 41 20.746 1.462 6.000 324 HB2 ASN 41 2HB ASN 41 21.234 1.390 3.595 325 HB3 ASN 41 3HB ASN 41 22.278 0.284 4.484 326 HD21 ASN 41 2HD2 ASN 41 21.204 -2.562 2.836 327 HD22 ASN 41 1HD2 ASN 41 22.210 -1.851 4.047 328 H LYS 42 H LYS 42 19.581 2.323 3.696 329 HA LYS 42 HA LYS 42 16.736 1.906 4.278 330 HB2 LYS 42 2HB LYS 42 17.899 4.093 2.563 331 HB3 LYS 42 3HB LYS 42 16.324 4.047 3.345 332 HG2 LYS 42 2HG LYS 42 17.534 4.091 5.548 333 HG3 LYS 42 3HG LYS 42 19.012 4.416 4.639 334 HD2 LYS 42 2HD LYS 42 17.030 6.201 3.695 335 HD3 LYS 42 3HD LYS 42 16.973 6.238 5.459 336 HE2 LYS 42 2HE LYS 42 19.538 6.478 3.905 337 HE3 LYS 42 3HE LYS 42 18.554 7.875 4.338 338 HZ1 LYS 42 3HZ LYS 42 18.737 6.843 6.706 339 HZ2 LYS 42 1HZ LYS 42 20.001 7.781 6.088 340 HZ3 LYS 42 2HZ LYS 42 20.115 6.094 6.072 341 H CYS 43 H CYS 43 15.838 0.387 3.045 342 HA CYS 43 HA CYS 43 16.002 0.640 0.160 343 HB2 CYS 43 2HB CYS 43 16.731 -1.591 -0.277 344 HB3 CYS 43 3HB CYS 43 17.884 -0.892 0.855 345 H THR 44 H THR 44 14.193 -0.086 -0.879 346 HA THR 44 HA THR 44 12.067 -1.176 0.846 347 HB THR 44 HB THR 44 10.435 -0.077 -0.490 348 HG1 THR 44 HG1 THR 44 11.128 -0.245 -2.559 349 HG21 THR 44 3HG2 THR 44 10.878 2.168 -0.035 350 HG22 THR 44 1HG2 THR 44 12.601 1.996 -0.368 351 HG23 THR 44 2HG2 THR 44 11.915 1.313 1.107 352 H VAL 45 H VAL 45 10.250 -2.051 -0.902 353 HA VAL 45 HA VAL 45 11.512 -3.745 -2.897 354 HB VAL 45 HB VAL 45 9.975 -4.925 -0.579 355 HG11 VAL 45 1HG1 VAL 45 11.023 -7.017 -1.987 356 HG12 VAL 45 2HG1 VAL 45 9.355 -6.451 -2.098 357 HG13 VAL 45 3HG1 VAL 45 10.553 -5.907 -3.273 358 HG21 VAL 45 3HG2 VAL 45 12.272 -4.383 0.006 359 HG22 VAL 45 1HG2 VAL 45 12.066 -6.130 -0.116 360 HG23 VAL 45 2HG2 VAL 45 12.857 -5.242 -1.419 361 H ASP 46 H ASP 46 10.253 -3.872 -4.634 362 HA ASP 46 HA ASP 46 7.435 -3.091 -4.371 363 HB2 ASP 46 2HB ASP 46 9.226 -2.008 -6.008 364 HB3 ASP 46 3HB ASP 46 8.751 -3.359 -7.034 365 H THR 47 H THR 47 6.114 -4.772 -4.155 366 HA THR 47 HA THR 47 6.765 -7.368 -5.233 367 HB THR 47 HB THR 47 5.608 -7.074 -3.034 368 HG1 THR 47 HG1 THR 47 4.146 -8.567 -4.976 369 HG21 THR 47 3HG2 THR 47 4.093 -5.236 -3.861 370 HG22 THR 47 1HG2 THR 47 3.297 -6.501 -2.927 371 HG23 THR 47 2HG2 THR 47 3.156 -6.481 -4.685 372 H TYR 48 H TYR 48 5.584 -4.665 -6.627 373 HA TYR 48 HA TYR 48 3.455 -5.834 -8.188 374 HB2 TYR 48 2HB TYR 48 3.768 -3.342 -7.456 375 HB3 TYR 48 3HB TYR 48 4.795 -3.242 -8.882 376 HD1 TYR 48 HD1 TYR 48 1.449 -3.134 -7.651 377 HD2 TYR 48 HD2 TYR 48 3.766 -3.945 -11.126 378 HE1 TYR 48 HE1 TYR 48 -0.544 -2.794 -9.052 379 HE2 TYR 48 HE2 TYR 48 1.780 -3.607 -12.537 380 HH TYR 48 HH TYR 48 -0.887 -3.832 -12.042 381 H ASN 49 H ASN 49 6.816 -4.853 -8.710 382 HA ASN 49 HA ASN 49 6.889 -6.589 -11.068 383 HB2 ASN 49 2HB ASN 49 8.287 -4.851 -12.244 384 HB3 ASN 49 3HB ASN 49 6.590 -4.424 -12.044 385 HD21 ASN 49 2HD2 ASN 49 9.514 -2.343 -10.122 386 HD22 ASN 49 1HD2 ASN 49 9.834 -3.880 -10.844 387 H ASN 50 H ASN 50 7.903 -6.595 -8.223 388 HA ASN 50 HA ASN 50 9.777 -7.163 -7.057 389 HB2 ASN 50 2HB ASN 50 9.528 -9.000 -8.877 390 HB3 ASN 50 3HB ASN 50 10.925 -8.229 -9.622 391 HD21 ASN 50 2HD2 ASN 50 12.240 -10.905 -7.533 392 HD22 ASN 50 1HD2 ASN 50 11.284 -10.736 -8.963 393 H ALA 51 H ALA 51 10.168 -4.760 -7.042 394 HA ALA 51 HA ALA 51 12.737 -4.160 -8.359 395 HB1 ALA 51 1HB ALA 51 11.607 -1.708 -7.752 396 HB2 ALA 51 2HB ALA 51 11.685 -2.463 -9.345 397 HB3 ALA 51 3HB ALA 51 10.251 -2.671 -8.340 398 H VAL 52 H VAL 52 14.383 -3.592 -7.075 399 HA VAL 52 HA VAL 52 13.805 -3.171 -4.219 400 HB VAL 52 HB VAL 52 15.170 -5.129 -4.579 401 HG11 VAL 52 1HG1 VAL 52 17.351 -5.019 -5.664 402 HG12 VAL 52 2HG1 VAL 52 16.070 -4.531 -6.775 403 HG13 VAL 52 3HG1 VAL 52 17.097 -3.311 -6.021 404 HG21 VAL 52 3HG2 VAL 52 15.661 -3.767 -2.611 405 HG22 VAL 52 1HG2 VAL 52 17.118 -4.551 -3.221 406 HG23 VAL 52 2HG2 VAL 52 16.838 -2.839 -3.539 407 H ASP 53 H ASP 53 14.529 -1.385 -3.182 408 HA ASP 53 HA ASP 53 15.930 0.620 -4.825 409 HB2 ASP 53 2HB ASP 53 13.815 0.848 -2.716 410 HB3 ASP 53 3HB ASP 53 14.931 2.188 -2.969 411 H CYS 54 H CYS 54 17.643 -1.102 -3.817 412 HA CYS 54 HA CYS 54 18.532 -0.915 -1.219 413 HB2 CYS 54 2HB CYS 54 19.979 -1.352 -3.816 414 HB3 CYS 54 3HB CYS 54 20.866 -1.286 -2.297 415 H ASP 55 H ASP 55 19.889 0.425 -0.077 416 HA ASP 55 HA ASP 55 19.802 3.158 -0.576 417 HB2 ASP 55 2HB ASP 55 20.247 2.161 1.643 418 HB3 ASP 55 3HB ASP 55 21.844 1.668 1.087 Start of MODEL 11 1 H1 ALA 1 H ALA 1 2.693 0.104 -5.843 2 HA ALA 1 HA ALA 1 2.683 1.203 -3.113 3 HB1 ALA 1 1HB ALA 1 1.465 -1.355 -4.086 4 HB2 ALA 1 2HB ALA 1 2.002 -1.183 -2.415 5 HB3 ALA 1 3HB ALA 1 0.763 -0.106 -3.058 6 H LYS 2 H LYS 2 4.342 0.563 -1.789 7 HA LYS 2 HA LYS 2 6.157 -1.538 -2.616 8 HB2 LYS 2 2HB LYS 2 8.142 -0.003 -2.473 9 HB3 LYS 2 3HB LYS 2 7.112 0.252 -3.876 10 HG2 LYS 2 2HG LYS 2 7.054 2.398 -3.334 11 HG3 LYS 2 3HG LYS 2 6.089 1.952 -1.924 12 HD2 LYS 2 2HD LYS 2 9.054 1.707 -1.763 13 HD3 LYS 2 3HD LYS 2 8.332 3.316 -1.673 14 HE2 LYS 2 2HE LYS 2 6.779 2.257 0.103 15 HE3 LYS 2 3HE LYS 2 7.994 0.982 0.177 16 HZ1 LYS 2 3HZ LYS 2 9.422 3.312 0.315 17 HZ2 LYS 2 1HZ LYS 2 9.059 2.283 1.607 18 HZ3 LYS 2 2HZ LYS 2 8.065 3.611 1.280 19 H TYR 3 H TYR 3 7.689 -2.114 -0.969 20 HA TYR 3 HA TYR 3 6.748 -1.362 1.706 21 HB2 TYR 3 2HB TYR 3 8.390 -3.732 0.791 22 HB3 TYR 3 3HB TYR 3 7.911 -3.423 2.456 23 HD1 TYR 3 HD1 TYR 3 5.314 -3.117 2.818 24 HD2 TYR 3 HD2 TYR 3 7.068 -5.119 -0.501 25 HE1 TYR 3 HE1 TYR 3 3.205 -4.324 2.439 26 HE2 TYR 3 HE2 TYR 3 4.963 -6.330 -0.890 27 HH TYR 3 HH TYR 3 2.287 -6.133 1.360 28 H THR 4 H THR 4 8.255 -0.931 3.390 29 HA THR 4 HA THR 4 10.848 0.075 2.411 30 HB THR 4 HB THR 4 9.827 1.178 4.950 31 HG1 THR 4 HG1 THR 4 8.020 1.931 4.162 32 HG21 THR 4 3HG2 THR 4 11.711 1.832 2.950 33 HG22 THR 4 1HG2 THR 4 11.353 2.716 4.432 34 HG23 THR 4 2HG2 THR 4 10.492 3.106 2.943 35 H GLY 5 H GLY 5 12.674 -0.566 3.423 36 HA2 GLY 5 2HA GLY 5 12.697 -1.591 6.097 37 HA3 GLY 5 3HA GLY 5 12.823 -2.874 4.902 38 H LYS 6 H LYS 6 14.912 -3.259 5.946 39 HA LYS 6 HA LYS 6 16.994 -1.645 4.660 40 HB2 LYS 6 2HB LYS 6 17.347 -2.600 7.489 41 HB3 LYS 6 3HB LYS 6 18.274 -1.388 6.615 42 HG2 LYS 6 2HG LYS 6 17.043 -0.013 7.926 43 HG3 LYS 6 3HG LYS 6 15.923 -0.165 6.570 44 HD2 LYS 6 2HD LYS 6 14.388 -0.939 7.980 45 HD3 LYS 6 3HD LYS 6 15.412 -2.345 8.275 46 HE2 LYS 6 2HE LYS 6 16.485 -1.257 10.116 47 HE3 LYS 6 3HE LYS 6 15.689 0.271 9.744 48 HZ1 LYS 6 3HZ LYS 6 13.614 -0.594 10.409 49 HZ2 LYS 6 1HZ LYS 6 14.706 -1.043 11.620 50 HZ3 LYS 6 2HZ LYS 6 14.195 -2.181 10.478 51 H CYS 7 H CYS 7 18.998 -2.753 4.348 52 HA CYS 7 HA CYS 7 18.675 -5.677 4.324 53 HB2 CYS 7 2HB CYS 7 20.860 -4.491 2.738 54 HB3 CYS 7 3HB CYS 7 19.704 -5.747 2.305 55 H THR 8 H THR 8 21.256 -6.476 3.961 56 HA THR 8 HA THR 8 22.785 -5.393 6.216 57 HB THR 8 HB THR 8 22.937 -8.310 6.066 58 HG1 THR 8 HG1 THR 8 20.827 -8.374 7.295 59 HG21 THR 8 3HG2 THR 8 23.885 -6.785 7.840 60 HG22 THR 8 1HG2 THR 8 22.936 -8.143 8.440 61 HG23 THR 8 2HG2 THR 8 22.231 -6.528 8.392 62 H LYS 9 H LYS 9 24.797 -4.994 5.600 63 HA LYS 9 HA LYS 9 25.834 -5.656 3.088 64 HB2 LYS 9 2HB LYS 9 27.882 -4.688 3.821 65 HB3 LYS 9 3HB LYS 9 26.590 -3.780 4.596 66 HG2 LYS 9 2HG LYS 9 27.832 -4.064 6.438 67 HG3 LYS 9 3HG LYS 9 27.070 -5.656 6.478 68 HD2 LYS 9 2HD LYS 9 28.950 -6.700 5.533 69 HD3 LYS 9 3HD LYS 9 29.632 -5.165 4.988 70 HE2 LYS 9 2HE LYS 9 30.923 -5.717 6.849 71 HE3 LYS 9 3HE LYS 9 29.749 -4.566 7.483 72 HZ1 LYS 9 3HZ LYS 9 29.615 -7.523 7.723 73 HZ2 LYS 9 1HZ LYS 9 28.419 -6.455 8.263 74 HZ3 LYS 9 2HZ LYS 9 29.956 -6.429 8.967 75 H SER 10 H SER 10 25.629 -7.501 5.954 76 HA SER 10 HA SER 10 27.831 -9.138 5.918 77 HB2 SER 10 2HB SER 10 24.977 -9.559 6.698 78 HB3 SER 10 3HB SER 10 26.048 -10.959 6.644 79 HG SER 10 HG SER 10 25.897 -8.989 8.488 80 H LYS 11 H LYS 11 24.750 -10.288 4.569 81 HA LYS 11 HA LYS 11 26.265 -11.475 2.337 82 HB2 LYS 11 2HB LYS 11 24.719 -12.788 4.340 83 HB3 LYS 11 3HB LYS 11 23.875 -12.957 2.806 84 HG2 LYS 11 2HG LYS 11 26.784 -13.492 2.799 85 HG3 LYS 11 3HG LYS 11 25.749 -14.660 3.624 86 HD2 LYS 11 2HD LYS 11 24.322 -14.490 1.436 87 HD3 LYS 11 3HD LYS 11 25.831 -13.897 0.737 88 HE2 LYS 11 2HE LYS 11 26.890 -15.984 1.821 89 HE3 LYS 11 3HE LYS 11 25.234 -16.574 1.950 90 HZ1 LYS 11 3HZ LYS 11 25.430 -15.697 -0.623 91 HZ2 LYS 11 1HZ LYS 11 25.510 -17.309 -0.115 92 HZ3 LYS 11 2HZ LYS 11 26.932 -16.424 -0.345 93 H ASN 12 H ASN 12 24.360 -9.034 2.927 94 HA ASN 12 HA ASN 12 22.950 -7.754 1.683 95 HB2 ASN 12 2HB ASN 12 23.881 -7.768 -0.364 96 HB3 ASN 12 3HB ASN 12 24.268 -9.483 -0.262 97 HD21 ASN 12 2HD2 ASN 12 20.972 -8.186 -2.225 98 HD22 ASN 12 1HD2 ASN 12 21.955 -7.119 -1.287 99 H GLU 13 H GLU 13 20.868 -7.725 2.179 100 HA GLU 13 HA GLU 13 18.944 -9.413 1.046 101 HB2 GLU 13 2HB GLU 13 20.227 -10.493 3.383 102 HB3 GLU 13 3HB GLU 13 18.533 -10.179 3.729 103 HG2 GLU 13 2HG GLU 13 17.862 -11.532 1.839 104 HG3 GLU 13 3HG GLU 13 19.550 -11.796 1.404 105 H CYS 14 H CYS 14 17.846 -7.509 0.724 106 HA CYS 14 HA CYS 14 17.323 -5.624 2.788 107 HB2 CYS 14 2HB CYS 14 16.559 -5.988 -0.040 108 HB3 CYS 14 3HB CYS 14 15.399 -5.098 0.941 109 H LYS 15 H LYS 15 16.146 -6.152 4.512 110 HA LYS 15 HA LYS 15 14.071 -8.121 4.439 111 HB2 LYS 15 2HB LYS 15 15.226 -7.989 6.482 112 HB3 LYS 15 3HB LYS 15 15.104 -6.235 6.540 113 HG2 LYS 15 2HG LYS 15 13.021 -6.268 7.423 114 HG3 LYS 15 3HG LYS 15 12.566 -7.752 6.582 115 HD2 LYS 15 2HD LYS 15 12.720 -8.111 8.996 116 HD3 LYS 15 3HD LYS 15 13.935 -9.056 8.130 117 HE2 LYS 15 2HE LYS 15 15.612 -8.014 9.168 118 HE3 LYS 15 3HE LYS 15 14.914 -6.425 8.858 119 HZ1 LYS 15 3HZ LYS 15 13.381 -6.885 10.760 120 HZ2 LYS 15 1HZ LYS 15 15.008 -6.707 11.188 121 HZ3 LYS 15 2HZ LYS 15 14.317 -8.248 11.117 122 H TYR 16 H TYR 16 11.848 -7.824 4.722 123 HA TYR 16 HA TYR 16 10.672 -5.219 4.861 124 HB2 TYR 16 2HB TYR 16 9.757 -5.027 2.698 125 HB3 TYR 16 3HB TYR 16 11.435 -5.484 2.429 126 HD1 TYR 16 HD1 TYR 16 8.064 -6.223 1.653 127 HD2 TYR 16 HD2 TYR 16 11.887 -8.032 2.117 128 HE1 TYR 16 HE1 TYR 16 7.318 -8.133 0.295 129 HE2 TYR 16 HE2 TYR 16 11.152 -9.947 0.758 130 HH TYR 16 HH TYR 16 9.540 -10.649 -0.715 131 H LYS 17 H LYS 17 8.180 -5.685 3.883 132 HA LYS 17 HA LYS 17 7.287 -8.073 5.362 133 HB2 LYS 17 2HB LYS 17 5.205 -6.760 5.873 134 HB3 LYS 17 3HB LYS 17 6.663 -6.165 6.656 135 HG2 LYS 17 2HG LYS 17 6.841 -4.519 4.728 136 HG3 LYS 17 3HG LYS 17 5.188 -4.988 4.324 137 HD2 LYS 17 2HD LYS 17 5.894 -4.126 7.106 138 HD3 LYS 17 3HD LYS 17 5.581 -2.928 5.847 139 HE2 LYS 17 2HE LYS 17 3.366 -3.446 5.715 140 HE3 LYS 17 3HE LYS 17 3.622 -5.134 6.156 141 HZ1 LYS 17 3HZ LYS 17 3.834 -2.864 8.058 142 HZ2 LYS 17 1HZ LYS 17 3.892 -4.513 8.433 143 HZ3 LYS 17 2HZ LYS 17 2.453 -3.824 7.872 144 H ASN 18 H ASN 18 5.822 -9.387 4.399 145 HA ASN 18 HA ASN 18 4.697 -8.521 1.821 146 HB2 ASN 18 2HB ASN 18 5.103 -10.732 0.887 147 HB3 ASN 18 3HB ASN 18 6.620 -10.038 1.451 148 HD21 ASN 18 2HD2 ASN 18 6.925 -12.288 4.204 149 HD22 ASN 18 1HD2 ASN 18 7.172 -10.636 3.762 150 H ASP 19 H ASP 19 4.452 -10.739 4.564 151 HA ASP 19 HA ASP 19 1.645 -11.257 3.910 152 HB2 ASP 19 2HB ASP 19 3.663 -12.892 4.904 153 HB3 ASP 19 3HB ASP 19 2.651 -12.565 6.308 154 H ALA 20 H ALA 20 2.488 -8.661 4.872 155 HA ALA 20 HA ALA 20 1.603 -7.053 6.234 156 HB1 ALA 20 1HB ALA 20 -0.365 -7.428 7.403 157 HB2 ALA 20 2HB ALA 20 -0.437 -8.632 6.115 158 HB3 ALA 20 3HB ALA 20 0.039 -9.110 7.745 159 H GLY 21 H GLY 21 4.077 -8.027 6.821 160 HA2 GLY 21 2HA GLY 21 5.142 -7.160 8.933 161 HA3 GLY 21 3HA GLY 21 4.061 -8.268 9.765 162 H LYS 22 H LYS 22 4.464 -10.243 7.514 163 HA LYS 22 HA LYS 22 6.334 -11.891 8.697 164 HB2 LYS 22 2HB LYS 22 4.947 -11.789 6.110 165 HB3 LYS 22 3HB LYS 22 6.479 -12.652 6.066 166 HG2 LYS 22 2HG LYS 22 5.559 -13.870 8.164 167 HG3 LYS 22 3HG LYS 22 3.994 -13.287 7.592 168 HD2 LYS 22 2HD LYS 22 5.038 -14.287 5.299 169 HD3 LYS 22 3HD LYS 22 5.760 -15.369 6.493 170 HE2 LYS 22 2HE LYS 22 3.719 -16.195 7.173 171 HE3 LYS 22 3HE LYS 22 2.844 -14.756 6.652 172 HZ1 LYS 22 3HZ LYS 22 2.299 -16.463 5.144 173 HZ2 LYS 22 1HZ LYS 22 3.912 -16.941 4.959 174 HZ3 LYS 22 2HZ LYS 22 3.389 -15.464 4.322 175 H ASP 23 H ASP 23 8.341 -11.200 9.166 176 HA ASP 23 HA ASP 23 9.882 -9.447 7.599 177 HB2 ASP 23 2HB ASP 23 11.069 -11.480 9.477 178 HB3 ASP 23 3HB ASP 23 11.645 -9.856 9.111 179 H THR 24 H THR 24 10.209 -9.992 5.507 180 HA THR 24 HA THR 24 11.593 -12.544 4.992 181 HB THR 24 HB THR 24 9.676 -11.084 3.163 182 HG1 THR 24 HG1 THR 24 9.519 -13.602 4.495 183 HG21 THR 24 3HG2 THR 24 11.205 -12.006 1.681 184 HG22 THR 24 1HG2 THR 24 10.014 -13.296 1.835 185 HG23 THR 24 2HG2 THR 24 11.536 -13.390 2.722 186 H PHE 25 H PHE 25 13.383 -12.513 3.689 187 HA PHE 25 HA PHE 25 14.487 -9.861 3.122 188 HB2 PHE 25 2HB PHE 25 16.022 -12.427 2.851 189 HB3 PHE 25 3HB PHE 25 16.619 -10.814 3.226 190 HD1 PHE 25 HD1 PHE 25 15.388 -9.844 5.474 191 HD2 PHE 25 HD2 PHE 25 16.183 -13.925 4.565 192 HE1 PHE 25 HE1 PHE 25 15.342 -10.384 7.874 193 HE2 PHE 25 HE2 PHE 25 16.137 -14.472 6.963 194 HZ PHE 25 HZ PHE 25 15.715 -12.701 8.622 195 H ILE 26 H ILE 26 15.217 -9.253 1.102 196 HA ILE 26 HA ILE 26 14.790 -11.100 -1.130 197 HB ILE 26 HB ILE 26 12.725 -9.868 -1.060 198 HG12 ILE 26 2HG1 ILE 26 12.771 -8.794 -3.265 199 HG13 ILE 26 3HG1 ILE 26 14.528 -8.724 -3.205 200 HG21 ILE 26 1HG2 ILE 26 12.636 -7.828 -0.195 201 HG22 ILE 26 2HG2 ILE 26 14.396 -7.738 -0.177 202 HG23 ILE 26 3HG2 ILE 26 13.501 -7.206 -1.600 203 HD11 ILE 26 3HD1 ILE 26 14.703 -10.780 -3.999 204 HD12 ILE 26 1HD1 ILE 26 13.589 -11.412 -2.787 205 HD13 ILE 26 2HD1 ILE 26 12.965 -10.739 -4.293 206 H LYS 27 H LYS 27 16.606 -11.168 -2.257 207 HA LYS 27 HA LYS 27 18.810 -9.543 -1.953 208 HB2 LYS 27 2HB LYS 27 18.056 -10.924 -4.532 209 HB3 LYS 27 3HB LYS 27 19.674 -10.513 -3.980 210 HG2 LYS 27 2HG LYS 27 18.902 -12.059 -1.938 211 HG3 LYS 27 3HG LYS 27 17.926 -12.767 -3.227 212 HD2 LYS 27 2HD LYS 27 20.596 -12.301 -4.169 213 HD3 LYS 27 3HD LYS 27 20.644 -13.228 -2.667 214 HE2 LYS 27 2HE LYS 27 20.526 -14.678 -4.645 215 HE3 LYS 27 3HE LYS 27 19.117 -14.866 -3.602 216 HZ1 LYS 27 3HZ LYS 27 19.180 -14.199 -6.316 217 HZ2 LYS 27 1HZ LYS 27 18.571 -12.861 -5.479 218 HZ3 LYS 27 2HZ LYS 27 17.828 -14.371 -5.314 219 H CYS 28 H CYS 28 19.821 -8.178 -3.737 220 HA CYS 28 HA CYS 28 17.795 -6.285 -4.728 221 HB2 CYS 28 2HB CYS 28 20.693 -5.591 -4.342 222 HB3 CYS 28 3HB CYS 28 19.298 -4.518 -4.389 223 HA PRO 29 HA PRO 29 19.660 -8.210 -8.494 224 HB2 PRO 29 2HB PRO 29 17.319 -8.317 -9.866 225 HB3 PRO 29 3HB PRO 29 17.835 -9.583 -8.744 226 HG2 PRO 29 2HG PRO 29 15.914 -7.329 -8.304 227 HG3 PRO 29 3HG PRO 29 15.779 -9.027 -7.811 228 HD2 PRO 29 2HD PRO 29 16.535 -7.069 -6.100 229 HD3 PRO 29 3HD PRO 29 17.140 -8.733 -5.975 230 H LYS 30 H LYS 30 17.707 -5.409 -7.860 231 HA LYS 30 HA LYS 30 17.581 -4.171 -10.324 232 HB2 LYS 30 2HB LYS 30 17.120 -3.442 -7.650 233 HB3 LYS 30 3HB LYS 30 18.239 -2.241 -8.280 234 HG2 LYS 30 2HG LYS 30 15.726 -2.993 -9.735 235 HG3 LYS 30 3HG LYS 30 15.758 -1.745 -8.487 236 HD2 LYS 30 2HD LYS 30 17.918 -1.312 -10.311 237 HD3 LYS 30 3HD LYS 30 16.418 -1.497 -11.222 238 HE2 LYS 30 2HE LYS 30 16.813 0.378 -8.892 239 HE3 LYS 30 3HE LYS 30 16.887 0.847 -10.590 240 HZ1 LYS 30 3HZ LYS 30 14.495 -0.508 -9.533 241 HZ2 LYS 30 1HZ LYS 30 14.636 0.523 -10.867 242 HZ3 LYS 30 2HZ LYS 30 14.698 1.155 -9.300 243 H PHE 31 H PHE 31 20.071 -3.485 -7.860 244 HA PHE 31 HA PHE 31 21.881 -2.703 -10.042 245 HB2 PHE 31 2HB PHE 31 22.591 -2.040 -7.243 246 HB3 PHE 31 3HB PHE 31 22.758 -1.076 -8.707 247 HD1 PHE 31 HD1 PHE 31 20.455 -2.111 -6.039 248 HD2 PHE 31 HD2 PHE 31 21.046 0.428 -9.404 249 HE1 PHE 31 HE1 PHE 31 18.465 -0.810 -5.403 250 HE2 PHE 31 HE2 PHE 31 19.058 1.733 -8.773 251 HZ PHE 31 HZ PHE 31 17.765 1.116 -6.770 252 H ASP 32 H ASP 32 22.876 -4.582 -10.598 253 HA ASP 32 HA ASP 32 23.779 -6.495 -8.673 254 HB2 ASP 32 2HB ASP 32 24.812 -6.363 -11.489 255 HB3 ASP 32 3HB ASP 32 24.495 -7.778 -10.489 256 H ASN 33 H ASN 33 24.943 -3.514 -9.583 257 HA ASN 33 HA ASN 33 27.666 -4.228 -8.713 258 HB2 ASN 33 2HB ASN 33 26.793 -2.862 -11.117 259 HB3 ASN 33 3HB ASN 33 27.881 -1.849 -10.172 260 HD21 ASN 33 2HD2 ASN 33 30.560 -4.291 -10.376 261 HD22 ASN 33 1HD2 ASN 33 29.719 -3.383 -9.171 262 H LYS 34 H LYS 34 25.036 -2.993 -7.536 263 HA LYS 34 HA LYS 34 26.435 -1.165 -5.780 264 HB2 LYS 34 2HB LYS 34 24.165 -0.267 -7.554 265 HB3 LYS 34 3HB LYS 34 24.634 0.596 -6.094 266 HG2 LYS 34 2HG LYS 34 26.392 0.089 -8.486 267 HG3 LYS 34 3HG LYS 34 25.604 1.614 -8.076 268 HD2 LYS 34 2HD LYS 34 27.043 0.747 -5.793 269 HD3 LYS 34 3HD LYS 34 28.117 0.607 -7.187 270 HE2 LYS 34 2HE LYS 34 27.212 2.993 -7.750 271 HE3 LYS 34 3HE LYS 34 26.794 3.027 -6.038 272 HZ1 LYS 34 3HZ LYS 34 29.209 3.674 -7.088 273 HZ2 LYS 34 1HZ LYS 34 29.464 2.099 -6.528 274 HZ3 LYS 34 2HZ LYS 34 28.916 3.295 -5.466 275 H LYS 35 H LYS 35 24.910 -3.763 -5.768 276 HA LYS 35 HA LYS 35 22.438 -3.559 -4.541 277 HB2 LYS 35 2HB LYS 35 22.957 -5.781 -3.533 278 HB3 LYS 35 3HB LYS 35 23.267 -5.697 -5.262 279 HG2 LYS 35 2HG LYS 35 25.688 -4.992 -4.181 280 HG3 LYS 35 3HG LYS 35 25.092 -6.216 -3.056 281 HD2 LYS 35 2HD LYS 35 25.219 -7.880 -4.592 282 HD3 LYS 35 3HD LYS 35 24.795 -6.817 -5.936 283 HE2 LYS 35 2HE LYS 35 27.037 -5.880 -5.928 284 HE3 LYS 35 3HE LYS 35 27.466 -6.870 -4.534 285 HZ1 LYS 35 3HZ LYS 35 26.896 -8.834 -5.997 286 HZ2 LYS 35 1HZ LYS 35 28.311 -7.993 -6.388 287 HZ3 LYS 35 2HZ LYS 35 26.907 -7.756 -7.301 288 H CYS 36 H CYS 36 21.986 -4.178 -2.202 289 HA CYS 36 HA CYS 36 22.760 -2.159 -0.493 290 HB2 CYS 36 2HB CYS 36 21.514 -4.835 -0.125 291 HB3 CYS 36 3HB CYS 36 22.133 -4.030 1.313 292 H THR 37 H THR 37 24.673 -1.670 0.328 293 HA THR 37 HA THR 37 26.471 -3.864 1.124 294 HB THR 37 HB THR 37 28.377 -2.283 0.562 295 HG1 THR 37 HG1 THR 37 27.939 -0.534 -0.697 296 HG21 THR 37 3HG2 THR 37 28.579 -3.615 -1.210 297 HG22 THR 37 1HG2 THR 37 27.373 -2.666 -2.078 298 HG23 THR 37 2HG2 THR 37 26.871 -4.034 -1.084 299 H LYS 38 H LYS 38 24.601 -2.550 2.808 300 HA LYS 38 HA LYS 38 26.436 -1.541 4.820 301 HB2 LYS 38 2HB LYS 38 24.724 0.197 3.298 302 HB3 LYS 38 3HB LYS 38 24.216 0.197 4.982 303 HG2 LYS 38 2HG LYS 38 27.112 0.493 4.407 304 HG3 LYS 38 3HG LYS 38 26.049 1.862 4.072 305 HD2 LYS 38 2HD LYS 38 26.031 2.384 6.232 306 HD3 LYS 38 3HD LYS 38 25.355 0.799 6.617 307 HE2 LYS 38 2HE LYS 38 27.526 -0.151 6.860 308 HE3 LYS 38 3HE LYS 38 28.297 1.289 6.196 309 HZ1 LYS 38 3HZ LYS 38 28.368 1.034 8.685 310 HZ2 LYS 38 1HZ LYS 38 26.705 1.349 8.692 311 HZ3 LYS 38 2HZ LYS 38 27.785 2.517 8.116 312 H ASP 39 H ASP 39 25.539 -1.547 6.959 313 HA ASP 39 HA ASP 39 23.493 -3.592 7.269 314 HB2 ASP 39 2HB ASP 39 24.125 -3.392 9.719 315 HB3 ASP 39 3HB ASP 39 25.405 -3.937 8.638 316 H ASN 40 H ASN 40 21.430 -3.111 7.575 317 HA ASN 40 HA ASN 40 19.520 -2.027 8.167 318 HB2 ASN 40 2HB ASN 40 21.167 -0.252 9.962 319 HB3 ASN 40 3HB ASN 40 19.488 -0.747 10.157 320 HD21 ASN 40 2HD2 ASN 40 20.210 -3.685 11.846 321 HD22 ASN 40 1HD2 ASN 40 19.020 -2.657 11.130 322 H ASN 41 H ASN 41 20.840 -1.178 5.861 323 HA ASN 41 HA ASN 41 20.973 1.692 5.798 324 HB2 ASN 41 2HB ASN 41 21.339 1.405 3.384 325 HB3 ASN 41 3HB ASN 41 22.389 0.344 4.319 326 HD21 ASN 41 2HD2 ASN 41 21.145 -2.596 2.982 327 HD22 ASN 41 1HD2 ASN 41 22.224 -1.821 4.087 328 H LYS 42 H LYS 42 19.740 2.454 3.515 329 HA LYS 42 HA LYS 42 16.899 2.101 4.185 330 HB2 LYS 42 2HB LYS 42 17.969 4.409 4.269 331 HB3 LYS 42 3HB LYS 42 18.090 4.314 2.517 332 HG2 LYS 42 2HG LYS 42 16.066 5.215 2.447 333 HG3 LYS 42 3HG LYS 42 15.452 3.667 3.031 334 HD2 LYS 42 2HD LYS 42 15.571 4.424 5.313 335 HD3 LYS 42 3HD LYS 42 16.361 5.922 4.817 336 HE2 LYS 42 2HE LYS 42 14.248 6.297 3.386 337 HE3 LYS 42 3HE LYS 42 13.518 5.060 4.409 338 HZ1 LYS 42 3HZ LYS 42 14.453 6.558 6.303 339 HZ2 LYS 42 1HZ LYS 42 12.992 6.955 5.548 340 HZ3 LYS 42 2HZ LYS 42 14.414 7.763 5.117 341 H CYS 43 H CYS 43 15.891 0.690 2.921 342 HA CYS 43 HA CYS 43 16.123 0.944 0.035 343 HB2 CYS 43 2HB CYS 43 16.691 -1.325 -0.394 344 HB3 CYS 43 3HB CYS 43 17.848 -0.749 0.802 345 H THR 44 H THR 44 14.314 0.245 -1.075 346 HA THR 44 HA THR 44 12.073 -0.697 0.595 347 HB THR 44 HB THR 44 10.571 0.518 -1.015 348 HG1 THR 44 HG1 THR 44 11.434 1.606 -2.620 349 HG21 THR 44 3HG2 THR 44 10.793 1.596 1.035 350 HG22 THR 44 1HG2 THR 44 11.273 2.845 -0.113 351 HG23 THR 44 2HG2 THR 44 12.502 1.947 0.778 352 H VAL 45 H VAL 45 10.824 -2.338 -0.175 353 HA VAL 45 HA VAL 45 11.824 -3.716 -2.552 354 HB VAL 45 HB VAL 45 9.920 -4.667 -0.408 355 HG11 VAL 45 1HG1 VAL 45 10.475 -6.926 -1.467 356 HG12 VAL 45 2HG1 VAL 45 9.349 -5.878 -2.331 357 HG13 VAL 45 3HG1 VAL 45 11.028 -5.997 -2.860 358 HG21 VAL 45 3HG2 VAL 45 12.820 -5.328 -0.916 359 HG22 VAL 45 1HG2 VAL 45 12.187 -4.368 0.421 360 HG23 VAL 45 2HG2 VAL 45 11.794 -6.083 0.304 361 H ASP 46 H ASP 46 10.589 -4.169 -4.324 362 HA ASP 46 HA ASP 46 7.891 -2.982 -4.385 363 HB2 ASP 46 2HB ASP 46 10.180 -2.488 -6.062 364 HB3 ASP 46 3HB ASP 46 8.862 -3.147 -7.027 365 H THR 47 H THR 47 6.413 -4.532 -4.436 366 HA THR 47 HA THR 47 7.043 -7.108 -5.662 367 HB THR 47 HB THR 47 6.024 -7.070 -3.398 368 HG1 THR 47 HG1 THR 47 5.650 -8.783 -5.063 369 HG21 THR 47 3HG2 THR 47 4.537 -5.051 -4.034 370 HG22 THR 47 1HG2 THR 47 3.867 -6.292 -2.975 371 HG23 THR 47 2HG2 THR 47 3.437 -6.266 -4.685 372 H TYR 48 H TYR 48 6.494 -4.637 -7.226 373 HA TYR 48 HA TYR 48 4.123 -5.575 -8.703 374 HB2 TYR 48 2HB TYR 48 4.127 -3.230 -7.588 375 HB3 TYR 48 3HB TYR 48 5.196 -2.776 -8.911 376 HD1 TYR 48 HD1 TYR 48 1.815 -4.050 -8.108 377 HD2 TYR 48 HD2 TYR 48 4.344 -2.356 -11.081 378 HE1 TYR 48 HE1 TYR 48 -0.141 -3.678 -9.552 379 HE2 TYR 48 HE2 TYR 48 2.395 -1.978 -12.532 380 HH TYR 48 HH TYR 48 0.081 -1.841 -12.509 381 H ASN 49 H ASN 49 7.477 -4.734 -8.844 382 HA ASN 49 HA ASN 49 7.546 -5.610 -11.642 383 HB2 ASN 49 2HB ASN 49 9.449 -3.822 -11.872 384 HB3 ASN 49 3HB ASN 49 7.765 -3.337 -12.043 385 HD21 ASN 49 2HD2 ASN 49 10.017 -2.045 -8.921 386 HD22 ASN 49 1HD2 ASN 49 10.565 -3.301 -9.973 387 H ASN 50 H ASN 50 8.347 -6.491 -8.756 388 HA ASN 50 HA ASN 50 10.022 -7.665 -7.749 389 HB2 ASN 50 2HB ASN 50 10.860 -8.382 -10.561 390 HB3 ASN 50 3HB ASN 50 11.080 -9.335 -9.097 391 HD21 ASN 50 2HD2 ASN 50 7.786 -10.572 -9.021 392 HD22 ASN 50 1HD2 ASN 50 9.171 -10.186 -8.063 393 H ALA 51 H ALA 51 11.105 -5.781 -6.987 394 HA ALA 51 HA ALA 51 13.844 -5.682 -7.657 395 HB1 ALA 51 1HB ALA 51 12.452 -3.138 -8.418 396 HB2 ALA 51 2HB ALA 51 14.095 -3.661 -8.792 397 HB3 ALA 51 3HB ALA 51 12.722 -4.424 -9.595 398 H VAL 52 H VAL 52 15.011 -3.990 -6.422 399 HA VAL 52 HA VAL 52 13.466 -2.898 -4.178 400 HB VAL 52 HB VAL 52 14.637 -5.130 -3.628 401 HG11 VAL 52 1HG1 VAL 52 16.766 -4.498 -4.754 402 HG12 VAL 52 2HG1 VAL 52 17.037 -3.313 -3.475 403 HG13 VAL 52 3HG1 VAL 52 16.970 -5.032 -3.086 404 HG21 VAL 52 3HG2 VAL 52 15.342 -4.236 -1.382 405 HG22 VAL 52 1HG2 VAL 52 15.005 -2.621 -2.006 406 HG23 VAL 52 2HG2 VAL 52 13.707 -3.808 -1.886 407 H ASP 53 H ASP 53 14.412 -1.094 -3.145 408 HA ASP 53 HA ASP 53 16.277 0.360 -4.865 409 HB2 ASP 53 2HB ASP 53 14.269 1.156 -2.795 410 HB3 ASP 53 3HB ASP 53 15.606 2.245 -3.151 411 H CYS 54 H CYS 54 17.720 -1.496 -3.742 412 HA CYS 54 HA CYS 54 18.685 -1.033 -1.137 413 HB2 CYS 54 2HB CYS 54 19.602 -2.585 -3.505 414 HB3 CYS 54 3HB CYS 54 20.789 -2.251 -2.248 415 H ASP 55 H ASP 55 20.228 0.277 -0.336 416 HA ASP 55 HA ASP 55 20.957 2.625 -1.588 417 HB2 ASP 55 2HB ASP 55 21.597 1.280 0.872 418 HB3 ASP 55 3HB ASP 55 23.053 2.012 0.203 Start of MODEL 12 1 H1 ALA 1 H ALA 1 2.010 -3.252 -1.968 2 HA ALA 1 HA ALA 1 3.159 -2.843 -3.889 3 HB1 ALA 1 1HB ALA 1 1.931 -1.132 -4.677 4 HB2 ALA 1 2HB ALA 1 2.005 -0.240 -3.157 5 HB3 ALA 1 3HB ALA 1 3.360 -0.175 -4.285 6 H LYS 2 H LYS 2 4.150 -0.029 -1.942 7 HA LYS 2 HA LYS 2 6.945 -0.837 -2.348 8 HB2 LYS 2 2HB LYS 2 5.555 1.720 -2.321 9 HB3 LYS 2 3HB LYS 2 6.954 1.719 -1.255 10 HG2 LYS 2 2HG LYS 2 7.316 0.614 -3.979 11 HG3 LYS 2 3HG LYS 2 7.118 2.361 -3.821 12 HD2 LYS 2 2HD LYS 2 9.068 0.868 -2.100 13 HD3 LYS 2 3HD LYS 2 9.501 1.366 -3.737 14 HE2 LYS 2 2HE LYS 2 8.282 3.408 -1.965 15 HE3 LYS 2 3HE LYS 2 9.931 2.904 -1.601 16 HZ1 LYS 2 3HZ LYS 2 8.987 3.938 -4.221 17 HZ2 LYS 2 1HZ LYS 2 10.572 3.475 -3.853 18 HZ3 LYS 2 2HZ LYS 2 9.883 4.814 -3.084 19 H TYR 3 H TYR 3 7.705 -2.000 -0.703 20 HA TYR 3 HA TYR 3 6.779 -1.446 2.014 21 HB2 TYR 3 2HB TYR 3 8.505 -3.703 0.976 22 HB3 TYR 3 3HB TYR 3 7.862 -3.564 2.608 23 HD1 TYR 3 HD1 TYR 3 7.256 -4.739 -0.714 24 HD2 TYR 3 HD2 TYR 3 5.323 -3.565 2.890 25 HE1 TYR 3 HE1 TYR 3 5.226 -5.936 -1.419 26 HE2 TYR 3 HE2 TYR 3 3.289 -4.761 2.195 27 HH TYR 3 HH TYR 3 2.458 -6.281 0.725 28 H THR 4 H THR 4 8.246 -1.139 3.750 29 HA THR 4 HA THR 4 10.811 0.037 2.904 30 HB THR 4 HB THR 4 9.692 0.652 5.592 31 HG1 THR 4 HG1 THR 4 8.787 2.170 3.398 32 HG21 THR 4 3HG2 THR 4 11.476 1.885 3.576 33 HG22 THR 4 1HG2 THR 4 11.602 1.858 5.335 34 HG23 THR 4 2HG2 THR 4 10.500 2.987 4.547 35 H GLY 5 H GLY 5 12.670 -0.765 3.685 36 HA2 GLY 5 2HA GLY 5 12.745 -2.249 6.168 37 HA3 GLY 5 3HA GLY 5 13.015 -3.228 4.734 38 H LYS 6 H LYS 6 15.114 -3.665 5.689 39 HA LYS 6 HA LYS 6 17.064 -1.655 4.854 40 HB2 LYS 6 2HB LYS 6 17.406 -3.069 7.488 41 HB3 LYS 6 3HB LYS 6 18.280 -1.670 6.876 42 HG2 LYS 6 2HG LYS 6 16.910 -0.627 8.350 43 HG3 LYS 6 3HG LYS 6 15.861 -0.597 6.931 44 HD2 LYS 6 2HD LYS 6 14.520 -2.319 7.732 45 HD3 LYS 6 3HD LYS 6 15.761 -2.898 8.845 46 HE2 LYS 6 2HE LYS 6 15.445 -0.546 9.945 47 HE3 LYS 6 3HE LYS 6 13.890 -0.586 9.115 48 HZ1 LYS 6 3HZ LYS 6 14.119 -3.039 10.318 49 HZ2 LYS 6 1HZ LYS 6 13.155 -1.750 10.837 50 HZ3 LYS 6 2HZ LYS 6 14.708 -1.953 11.474 51 H CYS 7 H CYS 7 19.162 -2.508 4.416 52 HA CYS 7 HA CYS 7 19.086 -5.364 3.754 53 HB2 CYS 7 2HB CYS 7 19.929 -3.099 2.321 54 HB3 CYS 7 3HB CYS 7 21.403 -3.968 2.738 55 H THR 8 H THR 8 21.726 -5.971 3.553 56 HA THR 8 HA THR 8 22.961 -5.363 6.133 57 HB THR 8 HB THR 8 23.405 -8.122 5.738 58 HG1 THR 8 HG1 THR 8 21.281 -7.740 4.510 59 HG21 THR 8 3HG2 THR 8 21.458 -7.023 7.735 60 HG22 THR 8 1HG2 THR 8 23.174 -6.633 7.848 61 HG23 THR 8 2HG2 THR 8 22.644 -8.314 7.930 62 H LYS 9 H LYS 9 24.933 -4.670 5.658 63 HA LYS 9 HA LYS 9 26.243 -5.034 3.216 64 HB2 LYS 9 2HB LYS 9 28.117 -3.968 4.206 65 HB3 LYS 9 3HB LYS 9 26.697 -3.255 4.960 66 HG2 LYS 9 2HG LYS 9 27.800 -3.631 6.867 67 HG3 LYS 9 3HG LYS 9 27.228 -5.289 6.672 68 HD2 LYS 9 2HD LYS 9 29.277 -6.063 6.014 69 HD3 LYS 9 3HD LYS 9 29.757 -4.515 5.313 70 HE2 LYS 9 2HE LYS 9 29.535 -3.871 7.946 71 HE3 LYS 9 3HE LYS 9 30.085 -5.543 8.045 72 HZ1 LYS 9 3HZ LYS 9 32.055 -5.049 6.989 73 HZ2 LYS 9 1HZ LYS 9 31.810 -3.651 7.909 74 HZ3 LYS 9 2HZ LYS 9 31.454 -3.648 6.255 75 H SER 10 H SER 10 25.935 -7.133 5.892 76 HA SER 10 HA SER 10 28.261 -8.594 5.927 77 HB2 SER 10 2HB SER 10 26.343 -8.974 7.449 78 HB3 SER 10 3HB SER 10 25.458 -9.724 6.121 79 HG SER 10 HG SER 10 27.182 -11.275 6.014 80 H LYS 11 H LYS 11 25.380 -9.644 4.108 81 HA LYS 11 HA LYS 11 27.099 -10.416 1.872 82 HB2 LYS 11 2HB LYS 11 26.069 -12.636 1.725 83 HB3 LYS 11 3HB LYS 11 26.922 -12.427 3.249 84 HG2 LYS 11 2HG LYS 11 24.994 -12.408 4.487 85 HG3 LYS 11 3HG LYS 11 24.006 -11.838 3.140 86 HD2 LYS 11 2HD LYS 11 25.263 -14.486 2.796 87 HD3 LYS 11 3HD LYS 11 24.002 -14.382 4.026 88 HE2 LYS 11 2HE LYS 11 22.512 -14.593 2.388 89 HE3 LYS 11 3HE LYS 11 22.988 -12.986 1.840 90 HZ1 LYS 11 3HZ LYS 11 24.571 -15.309 0.991 91 HZ2 LYS 11 1HZ LYS 11 24.312 -13.837 0.198 92 HZ3 LYS 11 2HZ LYS 11 23.091 -15.007 0.230 93 H ASN 12 H ASN 12 24.970 -8.385 2.482 94 HA ASN 12 HA ASN 12 23.304 -7.339 1.338 95 HB2 ASN 12 2HB ASN 12 23.958 -7.384 -0.809 96 HB3 ASN 12 3HB ASN 12 24.607 -9.014 -0.648 97 HD21 ASN 12 2HD2 ASN 12 21.011 -8.351 -2.358 98 HD22 ASN 12 1HD2 ASN 12 21.952 -7.081 -1.660 99 H GLU 13 H GLU 13 21.267 -7.471 1.985 100 HA GLU 13 HA GLU 13 19.448 -9.439 1.208 101 HB2 GLU 13 2HB GLU 13 21.090 -10.474 3.132 102 HB3 GLU 13 3HB GLU 13 19.764 -9.851 4.103 103 HG2 GLU 13 2HG GLU 13 18.267 -11.111 2.400 104 HG3 GLU 13 3HG GLU 13 19.745 -12.000 2.035 105 H CYS 14 H CYS 14 17.923 -7.913 0.948 106 HA CYS 14 HA CYS 14 17.368 -6.041 3.123 107 HB2 CYS 14 2HB CYS 14 16.992 -6.047 0.216 108 HB3 CYS 14 3HB CYS 14 15.600 -5.433 1.102 109 H LYS 15 H LYS 15 15.848 -6.484 4.561 110 HA LYS 15 HA LYS 15 13.875 -8.554 3.988 111 HB2 LYS 15 2HB LYS 15 15.165 -8.613 6.110 112 HB3 LYS 15 3HB LYS 15 14.431 -7.083 6.572 113 HG2 LYS 15 2HG LYS 15 12.563 -9.244 5.844 114 HG3 LYS 15 3HG LYS 15 13.489 -9.477 7.328 115 HD2 LYS 15 2HD LYS 15 12.051 -6.902 6.778 116 HD3 LYS 15 3HD LYS 15 11.212 -8.286 7.483 117 HE2 LYS 15 2HE LYS 15 13.352 -8.226 9.082 118 HE3 LYS 15 3HE LYS 15 13.289 -6.520 8.643 119 HZ1 LYS 15 3HZ LYS 15 10.707 -7.133 9.233 120 HZ2 LYS 15 1HZ LYS 15 11.793 -6.342 10.261 121 HZ3 LYS 15 2HZ LYS 15 11.576 -8.015 10.385 122 H TYR 16 H TYR 16 11.617 -8.235 4.470 123 HA TYR 16 HA TYR 16 10.547 -5.633 4.925 124 HB2 TYR 16 2HB TYR 16 9.620 -5.140 2.795 125 HB3 TYR 16 3HB TYR 16 11.312 -5.530 2.505 126 HD1 TYR 16 HD1 TYR 16 11.745 -8.104 1.973 127 HD2 TYR 16 HD2 TYR 16 8.042 -6.087 1.406 128 HE1 TYR 16 HE1 TYR 16 11.074 -9.810 0.333 129 HE2 TYR 16 HE2 TYR 16 7.360 -7.788 -0.234 130 HH TYR 16 HH TYR 16 9.429 -9.870 -1.691 131 H LYS 17 H LYS 17 8.049 -5.846 3.896 132 HA LYS 17 HA LYS 17 7.044 -8.357 5.070 133 HB2 LYS 17 2HB LYS 17 4.979 -7.034 5.623 134 HB3 LYS 17 3HB LYS 17 6.422 -6.557 6.509 135 HG2 LYS 17 2HG LYS 17 6.318 -4.993 4.156 136 HG3 LYS 17 3HG LYS 17 4.714 -4.966 4.891 137 HD2 LYS 17 2HD LYS 17 6.021 -4.522 7.095 138 HD3 LYS 17 3HD LYS 17 7.332 -4.044 6.014 139 HE2 LYS 17 2HE LYS 17 5.014 -2.800 5.033 140 HE3 LYS 17 3HE LYS 17 4.978 -2.587 6.783 141 HZ1 LYS 17 3HZ LYS 17 6.750 -1.231 6.740 142 HZ2 LYS 17 1HZ LYS 17 6.317 -0.993 5.122 143 HZ3 LYS 17 2HZ LYS 17 7.539 -2.093 5.517 144 H ASN 18 H ASN 18 5.370 -9.429 4.046 145 HA ASN 18 HA ASN 18 4.730 -8.469 1.335 146 HB2 ASN 18 2HB ASN 18 4.240 -11.062 1.052 147 HB3 ASN 18 3HB ASN 18 5.866 -10.410 0.862 148 HD21 ASN 18 2HD2 ASN 18 7.141 -11.864 3.798 149 HD22 ASN 18 1HD2 ASN 18 7.317 -10.569 2.668 150 H ASP 19 H ASP 19 3.391 -10.917 3.551 151 HA ASP 19 HA ASP 19 0.708 -10.320 2.742 152 HB2 ASP 19 2HB ASP 19 1.034 -12.568 3.316 153 HB3 ASP 19 3HB ASP 19 1.936 -12.162 4.773 154 H ALA 20 H ALA 20 2.005 -10.403 6.056 155 HA ALA 20 HA ALA 20 0.904 -7.754 6.575 156 HB1 ALA 20 1HB ALA 20 -0.919 -9.395 7.027 157 HB2 ALA 20 2HB ALA 20 0.100 -10.105 8.280 158 HB3 ALA 20 3HB ALA 20 -0.445 -8.434 8.428 159 H GLY 21 H GLY 21 3.441 -7.850 6.498 160 HA2 GLY 21 2HA GLY 21 5.136 -7.079 7.948 161 HA3 GLY 21 3HA GLY 21 4.295 -7.831 9.295 162 H LYS 22 H LYS 22 4.408 -9.963 6.732 163 HA LYS 22 HA LYS 22 6.030 -11.823 8.039 164 HB2 LYS 22 2HB LYS 22 4.705 -11.596 5.445 165 HB3 LYS 22 3HB LYS 22 6.200 -12.520 5.367 166 HG2 LYS 22 2HG LYS 22 5.051 -13.598 7.568 167 HG3 LYS 22 3HG LYS 22 3.628 -13.186 6.609 168 HD2 LYS 22 2HD LYS 22 5.227 -14.303 4.720 169 HD3 LYS 22 3HD LYS 22 5.699 -15.224 6.150 170 HE2 LYS 22 2HE LYS 22 3.254 -15.633 6.564 171 HE3 LYS 22 3HE LYS 22 2.937 -14.916 4.985 172 HZ1 LYS 22 3HZ LYS 22 3.750 -16.709 3.906 173 HZ2 LYS 22 1HZ LYS 22 3.308 -17.505 5.332 174 HZ3 LYS 22 2HZ LYS 22 4.918 -17.050 5.081 175 H ASP 23 H ASP 23 8.052 -11.221 8.613 176 HA ASP 23 HA ASP 23 9.798 -9.641 7.084 177 HB2 ASP 23 2HB ASP 23 10.541 -11.701 9.172 178 HB3 ASP 23 3HB ASP 23 11.535 -10.351 8.632 179 H THR 24 H THR 24 9.999 -10.337 4.986 180 HA THR 24 HA THR 24 11.259 -12.974 4.600 181 HB THR 24 HB THR 24 9.541 -11.406 2.667 182 HG1 THR 24 HG1 THR 24 9.041 -14.001 3.687 183 HG21 THR 24 3HG2 THR 24 11.030 -14.009 2.336 184 HG22 THR 24 1HG2 THR 24 11.245 -12.526 1.407 185 HG23 THR 24 2HG2 THR 24 9.757 -13.458 1.247 186 H PHE 25 H PHE 25 13.338 -12.873 4.098 187 HA PHE 25 HA PHE 25 14.594 -10.429 3.307 188 HB2 PHE 25 2HB PHE 25 15.894 -13.138 3.160 189 HB3 PHE 25 3HB PHE 25 16.637 -11.580 3.504 190 HD1 PHE 25 HD1 PHE 25 16.365 -14.457 5.000 191 HD2 PHE 25 HD2 PHE 25 14.870 -10.515 5.585 192 HE1 PHE 25 HE1 PHE 25 16.157 -14.898 7.412 193 HE2 PHE 25 HE2 PHE 25 14.661 -10.949 7.998 194 HZ PHE 25 HZ PHE 25 15.305 -13.142 8.914 195 H ILE 26 H ILE 26 14.919 -9.672 1.323 196 HA ILE 26 HA ILE 26 14.858 -11.548 -0.941 197 HB ILE 26 HB ILE 26 12.692 -10.492 -0.928 198 HG12 ILE 26 2HG1 ILE 26 12.726 -9.403 -3.130 199 HG13 ILE 26 3HG1 ILE 26 14.471 -9.205 -3.011 200 HG21 ILE 26 1HG2 ILE 26 13.400 -8.527 0.442 201 HG22 ILE 26 2HG2 ILE 26 14.083 -7.823 -1.022 202 HG23 ILE 26 3HG2 ILE 26 12.349 -8.128 -0.917 203 HD11 ILE 26 3HD1 ILE 26 13.305 -11.216 -4.318 204 HD12 ILE 26 1HD1 ILE 26 14.883 -11.354 -3.544 205 HD13 ILE 26 2HD1 ILE 26 13.442 -11.952 -2.721 206 H LYS 27 H LYS 27 16.653 -11.412 -2.097 207 HA LYS 27 HA LYS 27 18.706 -9.590 -1.658 208 HB2 LYS 27 2HB LYS 27 19.648 -10.414 -3.804 209 HB3 LYS 27 3HB LYS 27 19.135 -11.709 -2.730 210 HG2 LYS 27 2HG LYS 27 16.953 -11.703 -4.062 211 HG3 LYS 27 3HG LYS 27 17.836 -10.740 -5.250 212 HD2 LYS 27 2HD LYS 27 19.514 -12.892 -4.601 213 HD3 LYS 27 3HD LYS 27 17.899 -13.579 -4.790 214 HE2 LYS 27 2HE LYS 27 17.846 -12.098 -6.944 215 HE3 LYS 27 3HE LYS 27 19.601 -12.142 -6.780 216 HZ1 LYS 27 3HZ LYS 27 18.071 -14.024 -8.004 217 HZ2 LYS 27 1HZ LYS 27 18.391 -14.724 -6.497 218 HZ3 LYS 27 2HZ LYS 27 19.669 -14.236 -7.491 219 H CYS 28 H CYS 28 19.659 -8.305 -3.656 220 HA CYS 28 HA CYS 28 17.520 -6.489 -4.548 221 HB2 CYS 28 2HB CYS 28 20.420 -5.724 -4.496 222 HB3 CYS 28 3HB CYS 28 18.998 -4.692 -4.389 223 HA PRO 29 HA PRO 29 18.985 -8.527 -8.409 224 HB2 PRO 29 2HB PRO 29 16.537 -8.539 -9.581 225 HB3 PRO 29 3HB PRO 29 17.077 -9.805 -8.473 226 HG2 PRO 29 2HG PRO 29 15.319 -7.442 -7.937 227 HG3 PRO 29 3HG PRO 29 15.137 -9.119 -7.390 228 HD2 PRO 29 2HD PRO 29 16.133 -7.167 -5.799 229 HD3 PRO 29 3HD PRO 29 16.660 -8.858 -5.679 230 H LYS 30 H LYS 30 17.329 -5.590 -7.653 231 HA LYS 30 HA LYS 30 17.115 -4.435 -10.197 232 HB2 LYS 30 2HB LYS 30 16.705 -3.631 -7.513 233 HB3 LYS 30 3HB LYS 30 17.762 -2.433 -8.247 234 HG2 LYS 30 2HG LYS 30 16.121 -2.212 -10.102 235 HG3 LYS 30 3HG LYS 30 15.042 -3.288 -9.210 236 HD2 LYS 30 2HD LYS 30 14.743 -1.738 -7.479 237 HD3 LYS 30 3HD LYS 30 16.158 -0.797 -7.958 238 HE2 LYS 30 2HE LYS 30 14.157 -0.997 -10.065 239 HE3 LYS 30 3HE LYS 30 13.536 -0.237 -8.601 240 HZ1 LYS 30 3HZ LYS 30 14.852 1.553 -8.865 241 HZ2 LYS 30 1HZ LYS 30 14.842 1.087 -10.491 242 HZ3 LYS 30 2HZ LYS 30 16.146 0.668 -9.500 243 H PHE 31 H PHE 31 19.600 -3.722 -7.734 244 HA PHE 31 HA PHE 31 21.417 -2.960 -9.914 245 HB2 PHE 31 2HB PHE 31 22.146 -2.358 -7.105 246 HB3 PHE 31 3HB PHE 31 22.334 -1.375 -8.553 247 HD1 PHE 31 HD1 PHE 31 20.048 -2.365 -5.865 248 HD2 PHE 31 HD2 PHE 31 20.612 0.133 -9.265 249 HE1 PHE 31 HE1 PHE 31 18.084 -1.036 -5.209 250 HE2 PHE 31 HE2 PHE 31 18.650 1.467 -8.614 251 HZ PHE 31 HZ PHE 31 17.383 0.884 -6.584 252 H ASP 32 H ASP 32 22.109 -5.052 -10.444 253 HA ASP 32 HA ASP 32 23.179 -6.839 -8.485 254 HB2 ASP 32 2HB ASP 32 22.855 -6.809 -11.424 255 HB3 ASP 32 3HB ASP 32 24.203 -7.767 -10.816 256 H ASN 33 H ASN 33 24.345 -4.020 -9.820 257 HA ASN 33 HA ASN 33 27.127 -4.813 -9.261 258 HB2 ASN 33 2HB ASN 33 26.020 -3.700 -11.651 259 HB3 ASN 33 3HB ASN 33 27.108 -2.515 -10.935 260 HD21 ASN 33 2HD2 ASN 33 28.726 -6.171 -11.816 261 HD22 ASN 33 1HD2 ASN 33 27.165 -6.057 -11.085 262 H LYS 34 H LYS 34 24.710 -3.309 -7.887 263 HA LYS 34 HA LYS 34 26.426 -1.487 -6.432 264 HB2 LYS 34 2HB LYS 34 24.048 -0.528 -8.023 265 HB3 LYS 34 3HB LYS 34 24.735 0.390 -6.690 266 HG2 LYS 34 2HG LYS 34 26.179 -0.418 -9.206 267 HG3 LYS 34 3HG LYS 34 25.557 1.191 -8.832 268 HD2 LYS 34 2HD LYS 34 27.169 0.358 -6.653 269 HD3 LYS 34 3HD LYS 34 28.070 0.043 -8.138 270 HE2 LYS 34 2HE LYS 34 28.323 2.233 -8.596 271 HE3 LYS 34 3HE LYS 34 26.698 2.639 -8.047 272 HZ1 LYS 34 3HZ LYS 34 28.926 3.311 -6.741 273 HZ2 LYS 34 1HZ LYS 34 28.548 1.859 -5.960 274 HZ3 LYS 34 2HZ LYS 34 27.421 3.119 -5.993 275 H LYS 35 H LYS 35 24.821 -3.945 -5.985 276 HA LYS 35 HA LYS 35 22.475 -3.538 -4.592 277 HB2 LYS 35 2HB LYS 35 23.018 -5.627 -3.374 278 HB3 LYS 35 3HB LYS 35 23.269 -5.764 -5.109 279 HG2 LYS 35 2HG LYS 35 25.736 -5.003 -4.303 280 HG3 LYS 35 3HG LYS 35 25.194 -5.928 -2.901 281 HD2 LYS 35 2HD LYS 35 24.838 -7.872 -4.208 282 HD3 LYS 35 3HD LYS 35 24.993 -6.971 -5.718 283 HE2 LYS 35 2HE LYS 35 27.382 -6.444 -4.537 284 HE3 LYS 35 3HE LYS 35 27.063 -8.074 -3.946 285 HZ1 LYS 35 3HZ LYS 35 28.311 -7.906 -6.104 286 HZ2 LYS 35 1HZ LYS 35 26.877 -7.354 -6.813 287 HZ3 LYS 35 2HZ LYS 35 26.943 -8.900 -6.131 288 H CYS 36 H CYS 36 22.228 -3.881 -2.151 289 HA CYS 36 HA CYS 36 23.079 -1.666 -0.773 290 HB2 CYS 36 2HB CYS 36 22.620 -3.097 1.320 291 HB3 CYS 36 3HB CYS 36 21.297 -2.852 0.186 292 H THR 37 H THR 37 24.683 -1.232 0.754 293 HA THR 37 HA THR 37 26.863 -3.172 1.008 294 HB THR 37 HB THR 37 28.424 -1.071 0.768 295 HG1 THR 37 HG1 THR 37 27.608 0.430 -0.716 296 HG21 THR 37 3HG2 THR 37 28.955 -2.682 -0.748 297 HG22 THR 37 1HG2 THR 37 28.226 -1.527 -1.862 298 HG23 THR 37 2HG2 THR 37 27.284 -2.896 -1.271 299 H LYS 38 H LYS 38 24.682 -1.701 2.658 300 HA LYS 38 HA LYS 38 26.465 -1.093 4.912 301 HB2 LYS 38 2HB LYS 38 24.659 0.729 3.572 302 HB3 LYS 38 3HB LYS 38 24.210 0.534 5.261 303 HG2 LYS 38 2HG LYS 38 27.069 1.018 4.613 304 HG3 LYS 38 3HG LYS 38 25.935 2.366 4.490 305 HD2 LYS 38 2HD LYS 38 25.307 1.127 6.904 306 HD3 LYS 38 3HD LYS 38 27.071 1.115 6.839 307 HE2 LYS 38 2HE LYS 38 27.095 3.510 6.446 308 HE3 LYS 38 3HE LYS 38 25.333 3.544 6.414 309 HZ1 LYS 38 3HZ LYS 38 27.140 3.398 8.677 310 HZ2 LYS 38 1HZ LYS 38 25.771 2.410 8.782 311 HZ3 LYS 38 2HZ LYS 38 25.595 4.078 8.566 312 H ASP 39 H ASP 39 25.668 -1.617 6.954 313 HA ASP 39 HA ASP 39 23.658 -3.689 6.959 314 HB2 ASP 39 2HB ASP 39 25.923 -3.323 8.408 315 HB3 ASP 39 3HB ASP 39 24.718 -2.719 9.541 316 H ASN 40 H ASN 40 21.583 -3.479 7.501 317 HA ASN 40 HA ASN 40 19.601 -2.524 8.081 318 HB2 ASN 40 2HB ASN 40 21.364 -1.276 10.199 319 HB3 ASN 40 3HB ASN 40 19.604 -1.209 10.210 320 HD21 ASN 40 2HD2 ASN 40 21.098 -4.095 12.195 321 HD22 ASN 40 1HD2 ASN 40 21.605 -2.451 12.037 322 H ASN 41 H ASN 41 20.738 -1.305 5.933 323 HA ASN 41 HA ASN 41 20.754 1.565 6.339 324 HB2 ASN 41 2HB ASN 41 21.317 1.710 3.981 325 HB3 ASN 41 3HB ASN 41 22.323 0.484 4.746 326 HD21 ASN 41 2HD2 ASN 41 21.437 -1.912 2.449 327 HD22 ASN 41 1HD2 ASN 41 22.590 -1.237 3.545 328 H LYS 42 H LYS 42 19.576 2.535 4.075 329 HA LYS 42 HA LYS 42 16.745 2.027 4.634 330 HB2 LYS 42 2HB LYS 42 17.855 4.280 2.971 331 HB3 LYS 42 3HB LYS 42 16.287 4.183 3.762 332 HG2 LYS 42 2HG LYS 42 17.922 3.972 5.897 333 HG3 LYS 42 3HG LYS 42 18.904 4.982 4.834 334 HD2 LYS 42 2HD LYS 42 16.328 6.034 4.653 335 HD3 LYS 42 3HD LYS 42 16.550 5.662 6.365 336 HE2 LYS 42 2HE LYS 42 18.811 6.849 6.126 337 HE3 LYS 42 3HE LYS 42 18.172 7.478 4.608 338 HZ1 LYS 42 3HZ LYS 42 16.380 8.517 5.784 339 HZ2 LYS 42 1HZ LYS 42 17.835 8.982 6.512 340 HZ3 LYS 42 2HZ LYS 42 16.857 7.816 7.248 341 H CYS 43 H CYS 43 15.890 0.505 3.370 342 HA CYS 43 HA CYS 43 16.149 0.804 0.476 343 HB2 CYS 43 2HB CYS 43 16.754 -1.448 0.070 344 HB3 CYS 43 3HB CYS 43 17.843 -0.893 1.337 345 H THR 44 H THR 44 14.340 0.237 -0.656 346 HA THR 44 HA THR 44 12.072 -0.791 0.924 347 HB THR 44 HB THR 44 10.610 0.500 -0.684 348 HG1 THR 44 HG1 THR 44 12.152 0.917 -2.302 349 HG21 THR 44 3HG2 THR 44 12.103 2.656 0.563 350 HG22 THR 44 1HG2 THR 44 11.864 1.296 1.659 351 HG23 THR 44 2HG2 THR 44 10.473 2.072 0.900 352 H VAL 45 H VAL 45 11.136 -2.592 0.201 353 HA VAL 45 HA VAL 45 12.039 -3.725 -2.325 354 HB VAL 45 HB VAL 45 10.309 -4.919 -0.154 355 HG11 VAL 45 1HG1 VAL 45 10.705 -7.055 -1.298 356 HG12 VAL 45 2HG1 VAL 45 9.821 -5.917 -2.316 357 HG13 VAL 45 3HG1 VAL 45 11.540 -6.198 -2.593 358 HG21 VAL 45 3HG2 VAL 45 12.199 -5.990 0.674 359 HG22 VAL 45 1HG2 VAL 45 13.117 -5.729 -0.810 360 HG23 VAL 45 2HG2 VAL 45 12.800 -4.379 0.280 361 H ASP 46 H ASP 46 10.834 -3.904 -4.116 362 HA ASP 46 HA ASP 46 8.006 -3.086 -3.949 363 HB2 ASP 46 2HB ASP 46 10.134 -2.017 -5.518 364 HB3 ASP 46 3HB ASP 46 8.986 -2.787 -6.610 365 H THR 47 H THR 47 7.151 -5.141 -3.758 366 HA THR 47 HA THR 47 7.909 -7.347 -5.355 367 HB THR 47 HB THR 47 6.017 -8.495 -4.477 368 HG1 THR 47 HG1 THR 47 4.210 -7.491 -3.812 369 HG21 THR 47 3HG2 THR 47 6.913 -6.510 -2.384 370 HG22 THR 47 1HG2 THR 47 7.790 -7.969 -2.843 371 HG23 THR 47 2HG2 THR 47 6.203 -8.096 -2.086 372 H TYR 48 H TYR 48 6.126 -4.568 -6.083 373 HA TYR 48 HA TYR 48 4.153 -5.400 -7.819 374 HB2 TYR 48 2HB TYR 48 4.625 -3.037 -7.107 375 HB3 TYR 48 3HB TYR 48 5.940 -3.006 -8.276 376 HD1 TYR 48 HD1 TYR 48 2.503 -4.428 -8.559 377 HD2 TYR 48 HD2 TYR 48 5.287 -1.521 -9.939 378 HE1 TYR 48 HE1 TYR 48 0.919 -3.753 -10.315 379 HE2 TYR 48 HE2 TYR 48 3.710 -0.837 -11.698 380 HH TYR 48 HH TYR 48 1.614 -1.035 -12.470 381 H ASN 49 H ASN 49 7.615 -5.102 -8.390 382 HA ASN 49 HA ASN 49 7.389 -6.836 -10.698 383 HB2 ASN 49 2HB ASN 49 8.910 -5.127 -11.981 384 HB3 ASN 49 3HB ASN 49 7.160 -4.924 -11.988 385 HD21 ASN 49 2HD2 ASN 49 9.559 -2.292 -10.008 386 HD22 ASN 49 1HD2 ASN 49 10.147 -3.842 -10.494 387 H ASN 50 H ASN 50 8.615 -6.814 -7.998 388 HA ASN 50 HA ASN 50 10.553 -7.395 -6.950 389 HB2 ASN 50 2HB ASN 50 10.799 -8.658 -9.661 390 HB3 ASN 50 3HB ASN 50 12.124 -8.790 -8.508 391 HD21 ASN 50 2HD2 ASN 50 10.463 -10.998 -6.349 392 HD22 ASN 50 1HD2 ASN 50 11.725 -9.828 -6.494 393 H ALA 51 H ALA 51 11.202 -5.180 -6.716 394 HA ALA 51 HA ALA 51 13.797 -4.683 -7.849 395 HB1 ALA 51 1HB ALA 51 13.088 -3.487 -9.595 396 HB2 ALA 51 2HB ALA 51 11.445 -3.377 -8.965 397 HB3 ALA 51 3HB ALA 51 12.677 -2.240 -8.419 398 H VAL 52 H VAL 52 14.547 -4.631 -5.750 399 HA VAL 52 HA VAL 52 13.341 -2.900 -3.779 400 HB VAL 52 HB VAL 52 14.478 -5.120 -3.273 401 HG11 VAL 52 1HG1 VAL 52 16.876 -5.116 -2.973 402 HG12 VAL 52 2HG1 VAL 52 16.490 -4.694 -4.643 403 HG13 VAL 52 3HG1 VAL 52 16.970 -3.437 -3.502 404 HG21 VAL 52 3HG2 VAL 52 13.853 -3.317 -1.614 405 HG22 VAL 52 1HG2 VAL 52 15.131 -4.422 -1.108 406 HG23 VAL 52 2HG2 VAL 52 15.539 -2.802 -1.673 407 H ASP 53 H ASP 53 14.576 -1.244 -2.635 408 HA ASP 53 HA ASP 53 16.327 0.234 -4.482 409 HB2 ASP 53 2HB ASP 53 14.332 1.099 -2.425 410 HB3 ASP 53 3HB ASP 53 15.680 2.164 -2.813 411 H CYS 54 H CYS 54 17.707 -1.651 -3.279 412 HA CYS 54 HA CYS 54 18.676 -1.229 -0.704 413 HB2 CYS 54 2HB CYS 54 19.852 -2.519 -3.150 414 HB3 CYS 54 3HB CYS 54 20.793 -2.383 -1.668 415 H ASP 55 H ASP 55 20.025 0.200 0.188 416 HA ASP 55 HA ASP 55 20.750 2.574 -1.030 417 HB2 ASP 55 2HB ASP 55 20.754 1.878 1.481 418 HB3 ASP 55 3HB ASP 55 22.427 1.419 1.175 Start of MODEL 13 1 H1 ALA 1 H ALA 1 0.819 -0.942 -3.849 2 HA ALA 1 HA ALA 1 1.483 -0.604 -1.253 3 HB1 ALA 1 1HB ALA 1 1.653 -3.160 -2.841 4 HB2 ALA 1 2HB ALA 1 1.687 -3.079 -1.079 5 HB3 ALA 1 3HB ALA 1 0.257 -2.539 -1.960 6 H LYS 2 H LYS 2 3.445 0.700 -1.346 7 HA LYS 2 HA LYS 2 5.923 -0.667 -1.986 8 HB2 LYS 2 2HB LYS 2 5.147 1.965 -2.097 9 HB3 LYS 2 3HB LYS 2 6.108 1.926 -0.625 10 HG2 LYS 2 2HG LYS 2 7.439 0.504 -2.742 11 HG3 LYS 2 3HG LYS 2 7.029 2.145 -3.244 12 HD2 LYS 2 2HD LYS 2 8.289 1.662 -0.574 13 HD3 LYS 2 3HD LYS 2 9.286 1.694 -2.030 14 HE2 LYS 2 2HE LYS 2 7.739 3.921 -2.350 15 HE3 LYS 2 3HE LYS 2 7.955 3.879 -0.601 16 HZ1 LYS 2 3HZ LYS 2 10.420 3.521 -1.198 17 HZ2 LYS 2 1HZ LYS 2 9.771 5.079 -1.316 18 HZ3 LYS 2 2HZ LYS 2 9.993 4.148 -2.710 19 H TYR 3 H TYR 3 7.496 -1.270 -0.532 20 HA TYR 3 HA TYR 3 6.718 -1.195 2.310 21 HB2 TYR 3 2HB TYR 3 8.159 -3.381 0.798 22 HB3 TYR 3 3HB TYR 3 7.955 -3.353 2.546 23 HD1 TYR 3 HD1 TYR 3 6.683 -4.691 -0.385 24 HD2 TYR 3 HD2 TYR 3 5.382 -2.941 3.268 25 HE1 TYR 3 HE1 TYR 3 4.510 -5.816 -0.628 26 HE2 TYR 3 HE2 TYR 3 3.205 -4.062 3.036 27 HH TYR 3 HH TYR 3 2.077 -5.680 1.914 28 H THR 4 H THR 4 8.382 -0.974 3.850 29 HA THR 4 HA THR 4 10.932 0.027 2.759 30 HB THR 4 HB THR 4 9.513 1.030 5.234 31 HG1 THR 4 HG1 THR 4 8.487 2.192 3.790 32 HG21 THR 4 3HG2 THR 4 11.902 1.199 5.495 33 HG22 THR 4 1HG2 THR 4 11.259 2.806 5.157 34 HG23 THR 4 2HG2 THR 4 12.071 1.895 3.884 35 H GLY 5 H GLY 5 12.784 -0.738 3.636 36 HA2 GLY 5 2HA GLY 5 12.836 -1.992 6.231 37 HA3 GLY 5 3HA GLY 5 12.978 -3.134 4.903 38 H LYS 6 H LYS 6 15.072 -3.570 5.968 39 HA LYS 6 HA LYS 6 17.134 -1.834 4.817 40 HB2 LYS 6 2HB LYS 6 17.473 -2.984 7.575 41 HB3 LYS 6 3HB LYS 6 18.404 -1.712 6.797 42 HG2 LYS 6 2HG LYS 6 17.155 -0.419 8.163 43 HG3 LYS 6 3HG LYS 6 16.026 -0.516 6.810 44 HD2 LYS 6 2HD LYS 6 14.536 -1.689 8.001 45 HD3 LYS 6 3HD LYS 6 15.779 -2.744 8.678 46 HE2 LYS 6 2HE LYS 6 16.263 -1.220 10.414 47 HE3 LYS 6 3HE LYS 6 15.375 0.082 9.623 48 HZ1 LYS 6 3HZ LYS 6 14.098 -0.802 11.443 49 HZ2 LYS 6 1HZ LYS 6 14.202 -2.371 10.818 50 HZ3 LYS 6 2HZ LYS 6 13.325 -1.186 9.989 51 H CYS 7 H CYS 7 19.230 -2.896 4.603 52 HA CYS 7 HA CYS 7 18.951 -5.820 4.367 53 HB2 CYS 7 2HB CYS 7 21.044 -4.524 2.752 54 HB3 CYS 7 3HB CYS 7 19.889 -5.776 2.307 55 H THR 8 H THR 8 21.551 -6.504 3.876 56 HA THR 8 HA THR 8 23.101 -5.472 6.143 57 HB THR 8 HB THR 8 23.274 -8.395 5.727 58 HG1 THR 8 HG1 THR 8 21.026 -8.149 5.680 59 HG21 THR 8 3HG2 THR 8 23.992 -8.396 7.879 60 HG22 THR 8 1HG2 THR 8 22.828 -7.171 8.382 61 HG23 THR 8 2HG2 THR 8 24.301 -6.694 7.538 62 H LYS 9 H LYS 9 25.127 -5.027 5.586 63 HA LYS 9 HA LYS 9 26.109 -5.407 2.983 64 HB2 LYS 9 2HB LYS 9 28.298 -4.679 3.949 65 HB3 LYS 9 3HB LYS 9 26.956 -3.603 4.318 66 HG2 LYS 9 2HG LYS 9 27.584 -3.725 6.440 67 HG3 LYS 9 3HG LYS 9 26.994 -5.389 6.436 68 HD2 LYS 9 2HD LYS 9 29.464 -5.669 5.310 69 HD3 LYS 9 3HD LYS 9 29.739 -4.358 6.460 70 HE2 LYS 9 2HE LYS 9 28.738 -5.759 8.235 71 HE3 LYS 9 3HE LYS 9 28.575 -7.074 7.072 72 HZ1 LYS 9 3HZ LYS 9 30.806 -7.460 7.054 73 HZ2 LYS 9 1HZ LYS 9 30.645 -6.904 8.643 74 HZ3 LYS 9 2HZ LYS 9 31.218 -5.865 7.438 75 H SER 10 H SER 10 25.975 -7.530 5.634 76 HA SER 10 HA SER 10 28.232 -9.083 5.450 77 HB2 SER 10 2HB SER 10 26.845 -9.769 7.162 78 HB3 SER 10 3HB SER 10 25.391 -9.663 6.170 79 HG SER 10 HG SER 10 25.852 -11.818 6.480 80 H LYS 11 H LYS 11 25.198 -10.197 3.973 81 HA LYS 11 HA LYS 11 26.735 -11.019 1.600 82 HB2 LYS 11 2HB LYS 11 25.001 -12.633 3.382 83 HB3 LYS 11 3HB LYS 11 24.822 -12.916 1.656 84 HG2 LYS 11 2HG LYS 11 27.293 -13.275 1.544 85 HG3 LYS 11 3HG LYS 11 27.319 -13.202 3.307 86 HD2 LYS 11 2HD LYS 11 25.456 -15.079 1.907 87 HD3 LYS 11 3HD LYS 11 27.156 -15.509 2.115 88 HE2 LYS 11 2HE LYS 11 26.990 -15.522 4.442 89 HE3 LYS 11 3HE LYS 11 25.505 -14.572 4.435 90 HZ1 LYS 11 3HZ LYS 11 24.803 -16.717 4.911 91 HZ2 LYS 11 1HZ LYS 11 25.862 -17.433 3.802 92 HZ3 LYS 11 2HZ LYS 11 24.506 -16.584 3.251 93 H ASN 12 H ASN 12 24.715 -8.817 2.451 94 HA ASN 12 HA ASN 12 23.152 -7.554 1.383 95 HB2 ASN 12 2HB ASN 12 24.655 -8.235 -0.616 96 HB3 ASN 12 3HB ASN 12 23.351 -9.346 -1.023 97 HD21 ASN 12 2HD2 ASN 12 21.542 -6.926 -2.659 98 HD22 ASN 12 1HD2 ASN 12 21.965 -8.586 -2.431 99 H GLU 13 H GLU 13 21.089 -7.636 1.949 100 HA GLU 13 HA GLU 13 19.194 -9.400 0.907 101 HB2 GLU 13 2HB GLU 13 20.718 -10.684 2.819 102 HB3 GLU 13 3HB GLU 13 19.308 -10.157 3.728 103 HG2 GLU 13 2HG GLU 13 17.900 -11.221 1.929 104 HG3 GLU 13 3HG GLU 13 19.388 -11.938 1.312 105 H CYS 14 H CYS 14 17.992 -7.534 0.731 106 HA CYS 14 HA CYS 14 17.425 -5.909 3.049 107 HB2 CYS 14 2HB CYS 14 17.024 -5.721 0.156 108 HB3 CYS 14 3HB CYS 14 15.660 -5.109 1.086 109 H LYS 15 H LYS 15 16.058 -6.638 4.536 110 HA LYS 15 HA LYS 15 13.972 -8.519 3.904 111 HB2 LYS 15 2HB LYS 15 15.237 -8.613 6.032 112 HB3 LYS 15 3HB LYS 15 14.540 -7.065 6.494 113 HG2 LYS 15 2HG LYS 15 12.632 -9.194 5.759 114 HG3 LYS 15 3HG LYS 15 13.535 -9.421 7.258 115 HD2 LYS 15 2HD LYS 15 12.267 -6.776 6.735 116 HD3 LYS 15 3HD LYS 15 11.241 -8.125 7.229 117 HE2 LYS 15 2HE LYS 15 13.484 -8.165 8.926 118 HE3 LYS 15 3HE LYS 15 12.975 -6.480 8.817 119 HZ1 LYS 15 3HZ LYS 15 10.629 -7.591 9.183 120 HZ2 LYS 15 1HZ LYS 15 11.629 -7.179 10.485 121 HZ3 LYS 15 2HZ LYS 15 11.565 -8.779 9.941 122 H TYR 16 H TYR 16 11.715 -8.180 4.363 123 HA TYR 16 HA TYR 16 10.681 -5.553 4.800 124 HB2 TYR 16 2HB TYR 16 9.770 -5.067 2.676 125 HB3 TYR 16 3HB TYR 16 11.434 -5.546 2.359 126 HD1 TYR 16 HD1 TYR 16 8.050 -6.059 1.476 127 HD2 TYR 16 HD2 TYR 16 11.796 -8.059 1.750 128 HE1 TYR 16 HE1 TYR 16 7.250 -7.762 -0.108 129 HE2 TYR 16 HE2 TYR 16 11.007 -9.767 0.166 130 HH TYR 16 HH TYR 16 8.854 -9.554 -1.848 131 H LYS 17 H LYS 17 8.172 -5.706 3.904 132 HA LYS 17 HA LYS 17 7.142 -8.266 4.940 133 HB2 LYS 17 2HB LYS 17 5.221 -6.949 5.865 134 HB3 LYS 17 3HB LYS 17 6.765 -6.624 6.642 135 HG2 LYS 17 2HG LYS 17 6.957 -4.629 5.081 136 HG3 LYS 17 3HG LYS 17 5.252 -4.898 4.708 137 HD2 LYS 17 2HD LYS 17 5.037 -3.414 6.432 138 HD3 LYS 17 3HD LYS 17 5.052 -4.924 7.346 139 HE2 LYS 17 2HE LYS 17 7.613 -3.492 6.769 140 HE3 LYS 17 3HE LYS 17 6.574 -2.945 8.084 141 HZ1 LYS 17 3HZ LYS 17 7.942 -5.548 7.792 142 HZ2 LYS 17 1HZ LYS 17 6.638 -5.350 8.851 143 HZ3 LYS 17 2HZ LYS 17 8.047 -4.440 9.065 144 H ASN 18 H ASN 18 5.538 -9.231 3.808 145 HA ASN 18 HA ASN 18 4.338 -7.738 1.576 146 HB2 ASN 18 2HB ASN 18 4.409 -10.142 0.451 147 HB3 ASN 18 3HB ASN 18 5.768 -9.030 0.325 148 HD21 ASN 18 2HD2 ASN 18 6.048 -12.430 2.548 149 HD22 ASN 18 1HD2 ASN 18 4.515 -11.824 2.029 150 H ASP 19 H ASP 19 4.109 -10.476 3.790 151 HA ASP 19 HA ASP 19 1.264 -10.774 3.187 152 HB2 ASP 19 2HB ASP 19 3.249 -12.613 3.795 153 HB3 ASP 19 3HB ASP 19 2.323 -12.496 5.289 154 H ALA 20 H ALA 20 2.277 -8.416 4.572 155 HA ALA 20 HA ALA 20 1.513 -7.039 6.227 156 HB1 ALA 20 1HB ALA 20 -0.625 -8.432 5.855 157 HB2 ALA 20 2HB ALA 20 -0.169 -9.245 7.353 158 HB3 ALA 20 3HB ALA 20 -0.466 -7.506 7.349 159 H GLY 21 H GLY 21 3.926 -8.211 6.590 160 HA2 GLY 21 2HA GLY 21 5.047 -7.826 8.810 161 HA3 GLY 21 3HA GLY 21 3.914 -9.016 9.433 162 H LYS 22 H LYS 22 4.215 -10.520 6.814 163 HA LYS 22 HA LYS 22 5.968 -12.483 7.627 164 HB2 LYS 22 2HB LYS 22 4.619 -11.765 5.129 165 HB3 LYS 22 3HB LYS 22 6.124 -12.641 4.880 166 HG2 LYS 22 2HG LYS 22 3.865 -13.571 6.640 167 HG3 LYS 22 3HG LYS 22 4.150 -14.109 4.983 168 HD2 LYS 22 2HD LYS 22 5.537 -15.666 5.752 169 HD3 LYS 22 3HD LYS 22 6.587 -14.396 6.385 170 HE2 LYS 22 2HE LYS 22 6.122 -15.665 8.270 171 HE3 LYS 22 3HE LYS 22 4.944 -14.358 8.380 172 HZ1 LYS 22 3HZ LYS 22 4.527 -17.192 7.779 173 HZ2 LYS 22 1HZ LYS 22 3.495 -16.070 7.044 174 HZ3 LYS 22 2HZ LYS 22 3.602 -16.143 8.730 175 H ASP 23 H ASP 23 8.003 -12.045 8.245 176 HA ASP 23 HA ASP 23 9.674 -10.093 7.084 177 HB2 ASP 23 2HB ASP 23 11.511 -11.403 8.305 178 HB3 ASP 23 3HB ASP 23 10.213 -10.729 9.286 179 H THR 24 H THR 24 9.846 -10.319 4.881 180 HA THR 24 HA THR 24 11.020 -12.822 3.877 181 HB THR 24 HB THR 24 9.578 -10.630 2.373 182 HG1 THR 24 HG1 THR 24 8.851 -13.342 2.877 183 HG21 THR 24 3HG2 THR 24 11.333 -11.610 0.994 184 HG22 THR 24 1HG2 THR 24 9.746 -12.131 0.430 185 HG23 THR 24 2HG2 THR 24 10.751 -13.230 1.376 186 H PHE 25 H PHE 25 13.023 -12.847 3.054 187 HA PHE 25 HA PHE 25 14.495 -10.315 2.988 188 HB2 PHE 25 2HB PHE 25 15.716 -13.057 2.750 189 HB3 PHE 25 3HB PHE 25 16.479 -11.561 3.279 190 HD1 PHE 25 HD1 PHE 25 15.479 -14.605 4.410 191 HD2 PHE 25 HD2 PHE 25 15.025 -10.482 5.366 192 HE1 PHE 25 HE1 PHE 25 15.013 -15.203 6.751 193 HE2 PHE 25 HE2 PHE 25 14.559 -11.073 7.708 194 HZ PHE 25 HZ PHE 25 14.554 -13.436 8.404 195 H ILE 26 H ILE 26 15.087 -9.405 1.133 196 HA ILE 26 HA ILE 26 15.307 -11.064 -1.276 197 HB ILE 26 HB ILE 26 13.099 -10.117 -1.437 198 HG12 ILE 26 2HG1 ILE 26 13.318 -8.846 -3.522 199 HG13 ILE 26 3HG1 ILE 26 15.019 -8.553 -3.178 200 HG21 ILE 26 1HG2 ILE 26 14.363 -7.403 -1.090 201 HG22 ILE 26 2HG2 ILE 26 12.649 -7.753 -1.314 202 HG23 ILE 26 3HG2 ILE 26 13.468 -8.264 0.161 203 HD11 ILE 26 3HD1 ILE 26 14.217 -11.376 -3.203 204 HD12 ILE 26 1HD1 ILE 26 14.101 -10.537 -4.750 205 HD13 ILE 26 2HD1 ILE 26 15.638 -10.586 -3.887 206 H LYS 27 H LYS 27 17.155 -10.704 -2.301 207 HA LYS 27 HA LYS 27 18.982 -8.705 -1.453 208 HB2 LYS 27 2HB LYS 27 19.107 -10.334 -3.994 209 HB3 LYS 27 3HB LYS 27 20.449 -9.555 -3.168 210 HG2 LYS 27 2HG LYS 27 19.574 -11.127 -1.187 211 HG3 LYS 27 3HG LYS 27 19.072 -12.095 -2.575 212 HD2 LYS 27 2HD LYS 27 21.741 -11.087 -2.960 213 HD3 LYS 27 3HD LYS 27 21.624 -11.953 -1.426 214 HE2 LYS 27 2HE LYS 27 20.508 -13.115 -3.955 215 HE3 LYS 27 3HE LYS 27 22.217 -13.280 -3.555 216 HZ1 LYS 27 3HZ LYS 27 20.393 -13.965 -1.418 217 HZ2 LYS 27 1HZ LYS 27 21.782 -14.766 -1.955 218 HZ3 LYS 27 2HZ LYS 27 20.314 -14.985 -2.765 219 H CYS 28 H CYS 28 20.161 -7.707 -3.705 220 HA CYS 28 HA CYS 28 18.059 -5.959 -4.805 221 HB2 CYS 28 2HB CYS 28 19.811 -4.924 -3.271 222 HB3 CYS 28 3HB CYS 28 20.979 -5.244 -4.549 223 HA PRO 29 HA PRO 29 19.926 -8.387 -8.315 224 HB2 PRO 29 2HB PRO 29 17.547 -9.064 -9.434 225 HB3 PRO 29 3HB PRO 29 18.320 -10.024 -8.167 226 HG2 PRO 29 2HG PRO 29 16.109 -8.018 -7.942 227 HG3 PRO 29 3HG PRO 29 16.267 -9.602 -7.160 228 HD2 PRO 29 2HD PRO 29 16.822 -7.283 -5.877 229 HD3 PRO 29 3HD PRO 29 17.681 -8.797 -5.528 230 H LYS 30 H LYS 30 17.791 -5.725 -7.922 231 HA LYS 30 HA LYS 30 17.104 -4.943 -10.447 232 HB2 LYS 30 2HB LYS 30 17.245 -3.726 -7.917 233 HB3 LYS 30 3HB LYS 30 18.120 -2.657 -9.006 234 HG2 LYS 30 2HG LYS 30 15.931 -3.153 -10.491 235 HG3 LYS 30 3HG LYS 30 15.250 -3.287 -8.868 236 HD2 LYS 30 2HD LYS 30 15.512 -1.083 -8.436 237 HD3 LYS 30 3HD LYS 30 17.035 -0.983 -9.324 238 HE2 LYS 30 2HE LYS 30 14.387 -1.293 -10.711 239 HE3 LYS 30 3HE LYS 30 15.037 0.287 -10.275 240 HZ1 LYS 30 3HZ LYS 30 16.971 -1.322 -11.619 241 HZ2 LYS 30 1HZ LYS 30 16.421 0.235 -11.992 242 HZ3 LYS 30 2HZ LYS 30 15.579 -1.118 -12.559 243 H PHE 31 H PHE 31 20.105 -3.921 -8.805 244 HA PHE 31 HA PHE 31 21.264 -3.329 -11.434 245 HB2 PHE 31 2HB PHE 31 22.624 -2.642 -8.858 246 HB3 PHE 31 3HB PHE 31 22.674 -1.803 -10.404 247 HD1 PHE 31 HD1 PHE 31 20.668 -2.398 -7.378 248 HD2 PHE 31 HD2 PHE 31 21.090 -0.120 -10.949 249 HE1 PHE 31 HE1 PHE 31 18.957 -0.823 -6.572 250 HE2 PHE 31 HE2 PHE 31 19.381 1.458 -10.149 251 HZ PHE 31 HZ PHE 31 18.313 1.109 -7.957 252 H ASP 32 H ASP 32 21.854 -5.154 -8.470 253 HA ASP 32 HA ASP 32 23.120 -7.001 -8.056 254 HB2 ASP 32 2HB ASP 32 22.208 -7.448 -10.548 255 HB3 ASP 32 3HB ASP 32 23.936 -7.375 -10.884 256 H ASN 33 H ASN 33 24.230 -4.157 -8.844 257 HA ASN 33 HA ASN 33 27.050 -4.980 -8.660 258 HB2 ASN 33 2HB ASN 33 25.828 -3.544 -10.788 259 HB3 ASN 33 3HB ASN 33 26.868 -2.419 -9.920 260 HD21 ASN 33 2HD2 ASN 33 28.669 -5.779 -11.410 261 HD22 ASN 33 1HD2 ASN 33 27.131 -5.882 -10.630 262 H LYS 34 H LYS 34 24.599 -2.555 -7.948 263 HA LYS 34 HA LYS 34 26.381 -1.413 -5.900 264 HB2 LYS 34 2HB LYS 34 23.958 -0.166 -7.212 265 HB3 LYS 34 3HB LYS 34 24.985 0.603 -6.009 266 HG2 LYS 34 2HG LYS 34 25.907 -0.302 -8.728 267 HG3 LYS 34 3HG LYS 34 25.453 1.351 -8.308 268 HD2 LYS 34 2HD LYS 34 27.629 -0.197 -6.911 269 HD3 LYS 34 3HD LYS 34 27.918 0.890 -8.271 270 HE2 LYS 34 2HE LYS 34 26.571 2.582 -6.772 271 HE3 LYS 34 3HE LYS 34 27.097 1.512 -5.474 272 HZ1 LYS 34 3HZ LYS 34 28.674 3.291 -7.171 273 HZ2 LYS 34 1HZ LYS 34 29.394 1.835 -6.696 274 HZ3 LYS 34 2HZ LYS 34 28.848 2.928 -5.528 275 H LYS 35 H LYS 35 24.692 -3.837 -5.692 276 HA LYS 35 HA LYS 35 22.338 -3.515 -4.313 277 HB2 LYS 35 2HB LYS 35 23.037 -5.664 -3.095 278 HB3 LYS 35 3HB LYS 35 22.931 -5.719 -4.850 279 HG2 LYS 35 2HG LYS 35 25.578 -4.956 -3.997 280 HG3 LYS 35 3HG LYS 35 25.084 -6.487 -3.270 281 HD2 LYS 35 2HD LYS 35 24.612 -7.424 -5.434 282 HD3 LYS 35 3HD LYS 35 24.895 -5.868 -6.217 283 HE2 LYS 35 2HE LYS 35 26.991 -7.361 -4.650 284 HE3 LYS 35 3HE LYS 35 26.783 -7.512 -6.394 285 HZ1 LYS 35 3HZ LYS 35 27.839 -5.601 -6.731 286 HZ2 LYS 35 1HZ LYS 35 28.317 -5.658 -5.109 287 HZ3 LYS 35 2HZ LYS 35 26.939 -4.785 -5.555 288 H CYS 36 H CYS 36 22.002 -3.978 -1.919 289 HA CYS 36 HA CYS 36 22.875 -1.873 -0.380 290 HB2 CYS 36 2HB CYS 36 21.790 -4.582 0.321 291 HB3 CYS 36 3HB CYS 36 22.309 -3.485 1.597 292 H THR 37 H THR 37 24.784 -1.334 0.420 293 HA THR 37 HA THR 37 26.715 -3.478 1.030 294 HB THR 37 HB THR 37 28.481 -1.678 0.593 295 HG1 THR 37 HG1 THR 37 27.274 0.167 0.432 296 HG21 THR 37 3HG2 THR 37 27.734 -1.938 -2.055 297 HG22 THR 37 1HG2 THR 37 26.961 -3.317 -1.273 298 HG23 THR 37 2HG2 THR 37 28.704 -3.086 -1.134 299 H LYS 38 H LYS 38 24.772 -2.335 2.839 300 HA LYS 38 HA LYS 38 26.613 -1.485 4.924 301 HB2 LYS 38 2HB LYS 38 24.933 0.367 3.562 302 HB3 LYS 38 3HB LYS 38 24.299 0.162 5.189 303 HG2 LYS 38 2HG LYS 38 27.214 0.534 4.981 304 HG3 LYS 38 3HG LYS 38 26.216 1.923 4.544 305 HD2 LYS 38 2HD LYS 38 25.522 0.475 7.039 306 HD3 LYS 38 3HD LYS 38 26.995 1.448 7.049 307 HE2 LYS 38 2HE LYS 38 25.531 3.068 7.662 308 HE3 LYS 38 3HE LYS 38 25.344 3.209 5.915 309 HZ1 LYS 38 3HZ LYS 38 23.363 1.952 5.981 310 HZ2 LYS 38 1HZ LYS 38 23.230 3.093 7.223 311 HZ3 LYS 38 2HZ LYS 38 23.608 1.486 7.588 312 H ASP 39 H ASP 39 25.670 -1.612 7.074 313 HA ASP 39 HA ASP 39 23.719 -3.771 7.221 314 HB2 ASP 39 2HB ASP 39 24.332 -3.687 9.698 315 HB3 ASP 39 3HB ASP 39 25.610 -4.166 8.585 316 H ASN 40 H ASN 40 21.639 -3.408 7.579 317 HA ASN 40 HA ASN 40 19.687 -2.440 8.233 318 HB2 ASN 40 2HB ASN 40 21.274 -0.727 10.141 319 HB3 ASN 40 3HB ASN 40 19.610 -1.281 10.300 320 HD21 ASN 40 2HD2 ASN 40 20.413 -4.320 11.769 321 HD22 ASN 40 1HD2 ASN 40 19.195 -3.294 11.100 322 H ASN 41 H ASN 41 21.071 -1.364 6.012 323 HA ASN 41 HA ASN 41 21.092 1.487 6.113 324 HB2 ASN 41 2HB ASN 41 21.351 1.346 3.658 325 HB3 ASN 41 3HB ASN 41 22.479 0.291 4.504 326 HD21 ASN 41 2HD2 ASN 41 21.314 -2.633 3.068 327 HD22 ASN 41 1HD2 ASN 41 22.408 -1.860 4.159 328 H LYS 42 H LYS 42 19.778 2.372 3.917 329 HA LYS 42 HA LYS 42 16.963 1.937 4.653 330 HB2 LYS 42 2HB LYS 42 18.005 4.249 4.870 331 HB3 LYS 42 3HB LYS 42 18.075 4.281 3.113 332 HG2 LYS 42 2HG LYS 42 15.464 3.566 3.637 333 HG3 LYS 42 3HG LYS 42 15.836 4.745 4.897 334 HD2 LYS 42 2HD LYS 42 16.021 6.454 3.425 335 HD3 LYS 42 3HD LYS 42 16.740 5.437 2.174 336 HE2 LYS 42 2HE LYS 42 14.422 4.409 1.915 337 HE3 LYS 42 3HE LYS 42 13.837 5.759 2.885 338 HZ1 LYS 42 3HZ LYS 42 15.116 7.162 1.147 339 HZ2 LYS 42 1HZ LYS 42 13.589 6.546 0.757 340 HZ3 LYS 42 2HZ LYS 42 14.983 5.782 0.177 341 H CYS 43 H CYS 43 15.933 0.608 3.320 342 HA CYS 43 HA CYS 43 16.130 1.049 0.446 343 HB2 CYS 43 2HB CYS 43 16.554 -1.253 -0.091 344 HB3 CYS 43 3HB CYS 43 17.799 -0.727 1.038 345 H THR 44 H THR 44 14.251 0.673 -0.629 346 HA THR 44 HA THR 44 12.003 -0.370 0.969 347 HB THR 44 HB THR 44 10.560 1.043 -0.585 348 HG1 THR 44 HG1 THR 44 11.561 2.184 -2.050 349 HG21 THR 44 3HG2 THR 44 11.722 1.614 1.829 350 HG22 THR 44 1HG2 THR 44 10.471 2.581 1.050 351 HG23 THR 44 2HG2 THR 44 12.169 3.016 0.858 352 H VAL 45 H VAL 45 10.922 -2.068 0.189 353 HA VAL 45 HA VAL 45 11.769 -3.239 -2.318 354 HB VAL 45 HB VAL 45 9.748 -4.211 -0.292 355 HG11 VAL 45 1HG1 VAL 45 10.635 -5.251 -2.914 356 HG12 VAL 45 2HG1 VAL 45 10.476 -6.425 -1.606 357 HG13 VAL 45 3HG1 VAL 45 9.093 -5.438 -2.080 358 HG21 VAL 45 3HG2 VAL 45 11.775 -4.333 0.816 359 HG22 VAL 45 1HG2 VAL 45 11.677 -5.921 0.053 360 HG23 VAL 45 2HG2 VAL 45 12.682 -4.659 -0.661 361 H ASP 46 H ASP 46 10.504 -3.590 -4.118 362 HA ASP 46 HA ASP 46 7.902 -2.207 -4.169 363 HB2 ASP 46 2HB ASP 46 10.259 -1.734 -5.761 364 HB3 ASP 46 3HB ASP 46 8.922 -2.235 -6.793 365 H THR 47 H THR 47 6.761 -4.124 -3.820 366 HA THR 47 HA THR 47 7.153 -6.519 -5.246 367 HB THR 47 HB THR 47 5.035 -7.243 -4.401 368 HG1 THR 47 HG1 THR 47 3.656 -5.578 -4.821 369 HG21 THR 47 3HG2 THR 47 6.997 -6.669 -2.787 370 HG22 THR 47 1HG2 THR 47 5.413 -7.059 -2.120 371 HG23 THR 47 2HG2 THR 47 5.930 -5.377 -2.238 372 H TYR 48 H TYR 48 5.829 -3.540 -6.212 373 HA TYR 48 HA TYR 48 3.838 -4.197 -8.002 374 HB2 TYR 48 2HB TYR 48 4.732 -1.882 -7.349 375 HB3 TYR 48 3HB TYR 48 5.924 -2.113 -8.623 376 HD1 TYR 48 HD1 TYR 48 5.295 -2.011 -10.948 377 HD2 TYR 48 HD2 TYR 48 2.358 -1.621 -7.895 378 HE1 TYR 48 HE1 TYR 48 3.682 -1.187 -12.613 379 HE2 TYR 48 HE2 TYR 48 0.737 -0.798 -9.551 380 HH TYR 48 HH TYR 48 1.203 0.478 -12.104 381 H ASN 49 H ASN 49 7.343 -4.225 -8.511 382 HA ASN 49 HA ASN 49 6.938 -6.017 -10.789 383 HB2 ASN 49 2HB ASN 49 8.921 -4.671 -11.871 384 HB3 ASN 49 3HB ASN 49 7.262 -4.107 -12.053 385 HD21 ASN 49 2HD2 ASN 49 9.837 -2.097 -9.591 386 HD22 ASN 49 1HD2 ASN 49 10.079 -3.773 -9.935 387 H ASN 50 H ASN 50 7.944 -6.149 -7.946 388 HA ASN 50 HA ASN 50 9.620 -7.123 -6.748 389 HB2 ASN 50 2HB ASN 50 10.142 -8.546 -9.367 390 HB3 ASN 50 3HB ASN 50 10.654 -9.087 -7.771 391 HD21 ASN 50 2HD2 ASN 50 7.488 -10.763 -8.916 392 HD22 ASN 50 1HD2 ASN 50 9.004 -10.466 -9.689 393 H ALA 51 H ALA 51 10.811 -5.163 -6.526 394 HA ALA 51 HA ALA 51 13.502 -5.373 -7.463 395 HB1 ALA 51 1HB ALA 51 13.330 -2.935 -8.437 396 HB2 ALA 51 2HB ALA 51 12.983 -4.344 -9.441 397 HB3 ALA 51 3HB ALA 51 11.659 -3.414 -8.738 398 H VAL 52 H VAL 52 14.472 -5.020 -5.574 399 HA VAL 52 HA VAL 52 13.393 -3.275 -3.574 400 HB VAL 52 HB VAL 52 14.898 -5.416 -3.309 401 HG11 VAL 52 1HG1 VAL 52 16.762 -4.274 -4.606 402 HG12 VAL 52 2HG1 VAL 52 17.022 -3.294 -3.162 403 HG13 VAL 52 3HG1 VAL 52 17.212 -5.046 -3.085 404 HG21 VAL 52 3HG2 VAL 52 14.767 -4.910 -1.139 405 HG22 VAL 52 1HG2 VAL 52 15.809 -3.500 -1.327 406 HG23 VAL 52 2HG2 VAL 52 14.079 -3.366 -1.643 407 H ASP 53 H ASP 53 14.262 -1.343 -2.795 408 HA ASP 53 HA ASP 53 15.867 0.126 -4.766 409 HB2 ASP 53 2HB ASP 53 13.842 0.937 -2.717 410 HB3 ASP 53 3HB ASP 53 15.057 2.105 -3.229 411 H CYS 54 H CYS 54 17.521 -1.449 -3.531 412 HA CYS 54 HA CYS 54 18.506 -0.880 -1.022 413 HB2 CYS 54 2HB CYS 54 20.747 -1.630 -1.977 414 HB3 CYS 54 3HB CYS 54 19.404 -2.754 -2.158 415 H ASP 55 H ASP 55 20.112 0.480 -0.206 416 HA ASP 55 HA ASP 55 20.084 3.124 -0.996 417 HB2 ASP 55 2HB ASP 55 21.532 1.521 0.923 418 HB3 ASP 55 3HB ASP 55 22.587 2.743 0.219 Start of MODEL 14 1 H1 ALA 1 H ALA 1 1.425 -1.167 -0.593 2 HA ALA 1 HA ALA 1 1.993 -2.947 -2.135 3 HB1 ALA 1 1HB ALA 1 1.217 -1.014 -3.966 4 HB2 ALA 1 2HB ALA 1 2.933 -1.260 -4.290 5 HB3 ALA 1 3HB ALA 1 1.823 -2.630 -4.331 6 H LYS 2 H LYS 2 3.650 0.203 -2.309 7 HA LYS 2 HA LYS 2 6.260 -0.893 -2.395 8 HB2 LYS 2 2HB LYS 2 5.809 1.365 -3.184 9 HB3 LYS 2 3HB LYS 2 5.309 1.856 -1.571 10 HG2 LYS 2 2HG LYS 2 7.487 2.686 -1.849 11 HG3 LYS 2 3HG LYS 2 7.648 1.267 -0.810 12 HD2 LYS 2 2HD LYS 2 9.271 0.686 -2.257 13 HD3 LYS 2 3HD LYS 2 7.927 0.146 -3.265 14 HE2 LYS 2 2HE LYS 2 8.069 1.964 -4.664 15 HE3 LYS 2 3HE LYS 2 8.799 2.991 -3.431 16 HZ1 LYS 2 3HZ LYS 2 10.877 2.121 -3.808 17 HZ2 LYS 2 1HZ LYS 2 10.233 2.105 -5.373 18 HZ3 LYS 2 2HZ LYS 2 10.291 0.678 -4.468 19 H TYR 3 H TYR 3 7.465 -1.734 -0.830 20 HA TYR 3 HA TYR 3 6.634 -1.287 1.959 21 HB2 TYR 3 2HB TYR 3 8.136 -3.604 0.725 22 HB3 TYR 3 3HB TYR 3 7.811 -3.428 2.446 23 HD1 TYR 3 HD1 TYR 3 5.263 -3.093 3.058 24 HD2 TYR 3 HD2 TYR 3 6.667 -4.849 -0.555 25 HE1 TYR 3 HE1 TYR 3 3.094 -4.216 2.768 26 HE2 TYR 3 HE2 TYR 3 4.502 -5.976 -0.855 27 HH TYR 3 HH TYR 3 1.759 -5.254 1.155 28 H THR 4 H THR 4 8.154 -0.780 3.519 29 HA THR 4 HA THR 4 10.781 0.068 2.485 30 HB THR 4 HB THR 4 9.238 1.237 4.809 31 HG1 THR 4 HG1 THR 4 8.381 2.470 3.330 32 HG21 THR 4 3HG2 THR 4 11.969 1.728 3.694 33 HG22 THR 4 1HG2 THR 4 11.448 1.626 5.375 34 HG23 THR 4 2HG2 THR 4 11.070 3.060 4.420 35 H GLY 5 H GLY 5 12.606 -0.572 3.526 36 HA2 GLY 5 2HA GLY 5 12.569 -1.635 6.192 37 HA3 GLY 5 3HA GLY 5 12.729 -2.890 4.973 38 H LYS 6 H LYS 6 14.799 -3.373 5.893 39 HA LYS 6 HA LYS 6 16.900 -1.678 4.769 40 HB2 LYS 6 2HB LYS 6 17.169 -2.761 7.565 41 HB3 LYS 6 3HB LYS 6 18.166 -1.556 6.761 42 HG2 LYS 6 2HG LYS 6 16.948 -0.179 8.081 43 HG3 LYS 6 3HG LYS 6 15.860 -0.247 6.692 44 HD2 LYS 6 2HD LYS 6 14.256 -1.086 7.981 45 HD3 LYS 6 3HD LYS 6 15.287 -2.461 8.384 46 HE2 LYS 6 2HE LYS 6 14.853 -1.570 10.467 47 HE3 LYS 6 3HE LYS 6 16.385 -0.799 10.059 48 HZ1 LYS 6 3HZ LYS 6 14.779 1.009 9.083 49 HZ2 LYS 6 1HZ LYS 6 15.185 0.999 10.725 50 HZ3 LYS 6 2HZ LYS 6 13.703 0.363 10.217 51 H CYS 7 H CYS 7 18.913 -2.773 4.446 52 HA CYS 7 HA CYS 7 18.596 -5.696 4.302 53 HB2 CYS 7 2HB CYS 7 20.774 -4.513 2.734 54 HB3 CYS 7 3HB CYS 7 19.541 -5.674 2.253 55 H THR 8 H THR 8 21.174 -6.471 3.893 56 HA THR 8 HA THR 8 22.726 -5.443 6.155 57 HB THR 8 HB THR 8 22.859 -8.361 5.933 58 HG1 THR 8 HG1 THR 8 20.832 -8.813 6.505 59 HG21 THR 8 3HG2 THR 8 22.406 -7.994 8.470 60 HG22 THR 8 1HG2 THR 8 22.675 -6.294 8.091 61 HG23 THR 8 2HG2 THR 8 23.945 -7.478 7.782 62 H LYS 9 H LYS 9 24.760 -5.085 5.574 63 HA LYS 9 HA LYS 9 25.761 -5.669 3.019 64 HB2 LYS 9 2HB LYS 9 27.826 -4.744 3.765 65 HB3 LYS 9 3HB LYS 9 26.546 -3.840 4.563 66 HG2 LYS 9 2HG LYS 9 27.803 -4.175 6.389 67 HG3 LYS 9 3HG LYS 9 27.006 -5.751 6.408 68 HD2 LYS 9 2HD LYS 9 29.032 -6.325 4.764 69 HD3 LYS 9 3HD LYS 9 29.791 -5.031 5.693 70 HE2 LYS 9 2HE LYS 9 28.334 -7.120 7.209 71 HE3 LYS 9 3HE LYS 9 29.857 -7.588 6.454 72 HZ1 LYS 9 3HZ LYS 9 30.389 -5.189 7.654 73 HZ2 LYS 9 1HZ LYS 9 30.833 -6.716 8.231 74 HZ3 LYS 9 2HZ LYS 9 29.405 -5.989 8.773 75 H SER 10 H SER 10 25.527 -7.609 5.807 76 HA SER 10 HA SER 10 27.727 -9.258 5.721 77 HB2 SER 10 2HB SER 10 26.105 -9.517 7.475 78 HB3 SER 10 3HB SER 10 24.843 -9.942 6.320 79 HG SER 10 HG SER 10 26.890 -11.485 7.366 80 H LYS 11 H LYS 11 24.631 -10.350 4.361 81 HA LYS 11 HA LYS 11 26.137 -11.537 2.122 82 HB2 LYS 11 2HB LYS 11 24.991 -13.049 3.937 83 HB3 LYS 11 3HB LYS 11 23.522 -12.663 3.050 84 HG2 LYS 11 2HG LYS 11 25.170 -13.394 1.027 85 HG3 LYS 11 3HG LYS 11 25.753 -14.424 2.336 86 HD2 LYS 11 2HD LYS 11 23.765 -15.561 2.509 87 HD3 LYS 11 3HD LYS 11 22.816 -14.212 1.881 88 HE2 LYS 11 2HE LYS 11 23.381 -14.691 -0.332 89 HE3 LYS 11 3HE LYS 11 24.769 -15.672 0.138 90 HZ1 LYS 11 3HZ LYS 11 23.410 -17.438 0.748 91 HZ2 LYS 11 1HZ LYS 11 22.684 -16.865 -0.669 92 HZ3 LYS 11 2HZ LYS 11 22.017 -16.483 0.838 93 H ASN 12 H ASN 12 24.308 -9.015 2.743 94 HA ASN 12 HA ASN 12 22.987 -7.636 1.508 95 HB2 ASN 12 2HB ASN 12 24.184 -7.597 -0.420 96 HB3 ASN 12 3HB ASN 12 24.296 -9.352 -0.506 97 HD21 ASN 12 2HD2 ASN 12 21.094 -7.430 -2.174 98 HD22 ASN 12 1HD2 ASN 12 21.978 -6.704 -0.879 99 H GLU 13 H GLU 13 20.914 -7.697 2.069 100 HA GLU 13 HA GLU 13 19.011 -9.203 0.631 101 HB2 GLU 13 2HB GLU 13 20.191 -10.578 2.823 102 HB3 GLU 13 3HB GLU 13 18.541 -10.174 3.276 103 HG2 GLU 13 2HG GLU 13 17.759 -11.218 1.170 104 HG3 GLU 13 3HG GLU 13 19.419 -11.718 0.848 105 H CYS 14 H CYS 14 17.778 -7.413 0.436 106 HA CYS 14 HA CYS 14 17.271 -5.598 2.570 107 HB2 CYS 14 2HB CYS 14 17.211 -4.941 0.182 108 HB3 CYS 14 3HB CYS 14 15.774 -5.935 -0.037 109 H LYS 15 H LYS 15 16.032 -6.017 4.264 110 HA LYS 15 HA LYS 15 14.032 -8.095 4.191 111 HB2 LYS 15 2HB LYS 15 15.135 -8.076 6.231 112 HB3 LYS 15 3HB LYS 15 15.188 -6.320 6.303 113 HG2 LYS 15 2HG LYS 15 13.112 -6.152 7.210 114 HG3 LYS 15 3HG LYS 15 12.524 -7.613 6.414 115 HD2 LYS 15 2HD LYS 15 12.688 -7.993 8.797 116 HD3 LYS 15 3HD LYS 15 13.896 -8.968 7.957 117 HE2 LYS 15 2HE LYS 15 14.942 -8.003 9.873 118 HE3 LYS 15 3HE LYS 15 15.567 -7.177 8.446 119 HZ1 LYS 15 3HZ LYS 15 13.332 -6.112 10.075 120 HZ2 LYS 15 1HZ LYS 15 14.224 -5.304 8.886 121 HZ3 LYS 15 2HZ LYS 15 14.951 -5.709 10.358 122 H TYR 16 H TYR 16 11.817 -7.846 4.464 123 HA TYR 16 HA TYR 16 10.588 -5.285 4.775 124 HB2 TYR 16 2HB TYR 16 9.669 -4.961 2.623 125 HB3 TYR 16 3HB TYR 16 11.367 -5.329 2.342 126 HD1 TYR 16 HD1 TYR 16 7.987 -6.239 1.609 127 HD2 TYR 16 HD2 TYR 16 11.973 -7.724 1.694 128 HE1 TYR 16 HE1 TYR 16 7.333 -8.065 0.097 129 HE2 TYR 16 HE2 TYR 16 11.330 -9.553 0.181 130 HH TYR 16 HH TYR 16 7.981 -9.917 -0.943 131 H LYS 17 H LYS 17 8.109 -5.599 4.008 132 HA LYS 17 HA LYS 17 7.253 -8.225 5.035 133 HB2 LYS 17 2HB LYS 17 5.291 -7.028 6.034 134 HB3 LYS 17 3HB LYS 17 6.838 -6.625 6.768 135 HG2 LYS 17 2HG LYS 17 6.407 -4.784 4.672 136 HG3 LYS 17 3HG LYS 17 4.907 -4.897 5.596 137 HD2 LYS 17 2HD LYS 17 7.484 -4.662 7.072 138 HD3 LYS 17 3HD LYS 17 6.819 -3.224 6.295 139 HE2 LYS 17 2HE LYS 17 4.661 -3.709 7.492 140 HE3 LYS 17 3HE LYS 17 5.524 -4.952 8.396 141 HZ1 LYS 17 3HZ LYS 17 6.990 -2.554 8.489 142 HZ2 LYS 17 1HZ LYS 17 6.281 -3.408 9.766 143 HZ3 LYS 17 2HZ LYS 17 5.393 -2.228 8.942 144 H ASN 18 H ASN 18 5.421 -9.148 4.119 145 HA ASN 18 HA ASN 18 4.194 -7.739 1.859 146 HB2 ASN 18 2HB ASN 18 4.413 -9.645 0.401 147 HB3 ASN 18 3HB ASN 18 6.013 -9.241 1.018 148 HD21 ASN 18 2HD2 ASN 18 6.143 -12.114 3.174 149 HD22 ASN 18 1HD2 ASN 18 6.474 -10.418 3.188 150 H ASP 19 H ASP 19 4.088 -10.488 4.078 151 HA ASP 19 HA ASP 19 1.220 -10.798 3.607 152 HB2 ASP 19 2HB ASP 19 3.280 -12.610 4.178 153 HB3 ASP 19 3HB ASP 19 2.305 -12.545 5.643 154 H ALA 20 H ALA 20 2.293 -8.447 4.968 155 HA ALA 20 HA ALA 20 1.593 -7.087 6.665 156 HB1 ALA 20 1HB ALA 20 -0.014 -9.312 7.859 157 HB2 ALA 20 2HB ALA 20 -0.328 -7.576 7.873 158 HB3 ALA 20 3HB ALA 20 -0.549 -8.501 6.387 159 H GLY 21 H GLY 21 4.029 -8.236 6.903 160 HA2 GLY 21 2HA GLY 21 5.249 -7.859 9.074 161 HA3 GLY 21 3HA GLY 21 4.162 -9.071 9.734 162 H LYS 22 H LYS 22 4.351 -10.552 7.100 163 HA LYS 22 HA LYS 22 6.177 -12.491 7.805 164 HB2 LYS 22 2HB LYS 22 4.676 -11.787 5.395 165 HB3 LYS 22 3HB LYS 22 6.183 -12.624 5.049 166 HG2 LYS 22 2HG LYS 22 5.348 -14.276 6.891 167 HG3 LYS 22 3HG LYS 22 3.770 -13.587 6.504 168 HD2 LYS 22 2HD LYS 22 4.709 -14.061 4.020 169 HD3 LYS 22 3HD LYS 22 5.515 -15.354 4.910 170 HE2 LYS 22 2HE LYS 22 2.731 -15.089 5.668 171 HE3 LYS 22 3HE LYS 22 2.914 -15.371 3.938 172 HZ1 LYS 22 3HZ LYS 22 4.561 -17.202 4.788 173 HZ2 LYS 22 1HZ LYS 22 2.897 -17.500 4.709 174 HZ3 LYS 22 2HZ LYS 22 3.617 -17.109 6.189 175 H ASP 23 H ASP 23 8.235 -12.024 8.313 176 HA ASP 23 HA ASP 23 9.810 -10.038 7.083 177 HB2 ASP 23 2HB ASP 23 11.732 -11.385 8.168 178 HB3 ASP 23 3HB ASP 23 10.520 -10.666 9.224 179 H THR 24 H THR 24 9.984 -10.178 4.898 180 HA THR 24 HA THR 24 11.063 -12.676 3.774 181 HB THR 24 HB THR 24 9.667 -10.421 2.320 182 HG1 THR 24 HG1 THR 24 8.051 -12.204 2.090 183 HG21 THR 24 3HG2 THR 24 10.252 -11.396 0.397 184 HG22 THR 24 1HG2 THR 24 9.786 -12.991 0.986 185 HG23 THR 24 2HG2 THR 24 11.397 -12.361 1.328 186 H PHE 25 H PHE 25 13.100 -12.694 3.097 187 HA PHE 25 HA PHE 25 14.529 -10.147 2.876 188 HB2 PHE 25 2HB PHE 25 15.777 -12.890 2.852 189 HB3 PHE 25 3HB PHE 25 16.536 -11.350 3.243 190 HD1 PHE 25 HD1 PHE 25 15.538 -10.107 5.316 191 HD2 PHE 25 HD2 PHE 25 15.101 -14.273 4.561 192 HE1 PHE 25 HE1 PHE 25 15.084 -10.489 7.704 193 HE2 PHE 25 HE2 PHE 25 14.645 -14.661 6.947 194 HZ PHE 25 HZ PHE 25 14.635 -12.768 8.522 195 H ILE 26 H ILE 26 15.125 -9.348 0.971 196 HA ILE 26 HA ILE 26 15.349 -11.163 -1.329 197 HB ILE 26 HB ILE 26 13.169 -10.125 -1.532 198 HG12 ILE 26 2HG1 ILE 26 13.447 -9.036 -3.722 199 HG13 ILE 26 3HG1 ILE 26 15.171 -8.852 -3.414 200 HG21 ILE 26 1HG2 ILE 26 13.887 -7.395 -1.975 201 HG22 ILE 26 2HG2 ILE 26 12.751 -8.070 -0.809 202 HG23 ILE 26 3HG2 ILE 26 14.453 -7.897 -0.382 203 HD11 ILE 26 3HD1 ILE 26 14.308 -10.801 -4.890 204 HD12 ILE 26 1HD1 ILE 26 15.597 -11.088 -3.721 205 HD13 ILE 26 2HD1 ILE 26 13.941 -11.565 -3.343 206 H LYS 27 H LYS 27 17.229 -10.940 -2.331 207 HA LYS 27 HA LYS 27 19.184 -9.086 -1.575 208 HB2 LYS 27 2HB LYS 27 19.092 -10.509 -4.234 209 HB3 LYS 27 3HB LYS 27 20.514 -9.962 -3.357 210 HG2 LYS 27 2HG LYS 27 20.682 -11.988 -2.487 211 HG3 LYS 27 3HG LYS 27 19.177 -11.691 -1.613 212 HD2 LYS 27 2HD LYS 27 17.889 -12.787 -3.209 213 HD3 LYS 27 3HD LYS 27 19.124 -12.623 -4.459 214 HE2 LYS 27 2HE LYS 27 20.096 -14.124 -2.183 215 HE3 LYS 27 3HE LYS 27 18.640 -14.849 -2.863 216 HZ1 LYS 27 3HZ LYS 27 20.840 -15.585 -3.829 217 HZ2 LYS 27 1HZ LYS 27 20.936 -14.059 -4.554 218 HZ3 LYS 27 2HZ LYS 27 19.660 -15.100 -4.940 219 H CYS 28 H CYS 28 20.327 -8.017 -3.797 220 HA CYS 28 HA CYS 28 18.321 -6.039 -4.654 221 HB2 CYS 28 2HB CYS 28 20.513 -5.472 -3.251 222 HB3 CYS 28 3HB CYS 28 21.238 -5.463 -4.855 223 HA PRO 29 HA PRO 29 19.469 -8.358 -8.480 224 HB2 PRO 29 2HB PRO 29 16.959 -8.326 -9.513 225 HB3 PRO 29 3HB PRO 29 17.515 -9.561 -8.377 226 HG2 PRO 29 2HG PRO 29 15.879 -7.109 -7.858 227 HG3 PRO 29 3HG PRO 29 15.666 -8.750 -7.222 228 HD2 PRO 29 2HD PRO 29 16.823 -6.769 -5.784 229 HD3 PRO 29 3HD PRO 29 17.293 -8.473 -5.613 230 H LYS 30 H LYS 30 17.992 -5.322 -7.767 231 HA LYS 30 HA LYS 30 17.597 -4.243 -10.299 232 HB2 LYS 30 2HB LYS 30 17.615 -3.302 -7.631 233 HB3 LYS 30 3HB LYS 30 18.671 -2.236 -8.549 234 HG2 LYS 30 2HG LYS 30 15.794 -2.877 -9.163 235 HG3 LYS 30 3HG LYS 30 16.431 -1.356 -8.534 236 HD2 LYS 30 2HD LYS 30 16.693 -0.656 -10.628 237 HD3 LYS 30 3HD LYS 30 17.902 -1.922 -10.862 238 HE2 LYS 30 2HE LYS 30 16.149 -3.476 -11.545 239 HE3 LYS 30 3HE LYS 30 14.929 -2.231 -11.282 240 HZ1 LYS 30 3HZ LYS 30 16.365 -2.719 -13.600 241 HZ2 LYS 30 1HZ LYS 30 16.949 -1.252 -12.993 242 HZ3 LYS 30 2HZ LYS 30 15.297 -1.441 -13.302 243 H PHE 31 H PHE 31 20.448 -3.677 -8.224 244 HA PHE 31 HA PHE 31 22.007 -3.149 -10.659 245 HB2 PHE 31 2HB PHE 31 23.164 -2.543 -7.997 246 HB3 PHE 31 3HB PHE 31 23.242 -1.623 -9.495 247 HD1 PHE 31 HD1 PHE 31 21.589 0.026 -10.030 248 HD2 PHE 31 HD2 PHE 31 21.257 -2.320 -6.493 249 HE1 PHE 31 HE1 PHE 31 19.862 1.558 -9.179 250 HE2 PHE 31 HE2 PHE 31 19.529 -0.792 -5.638 251 HZ PHE 31 HZ PHE 31 18.828 1.150 -6.981 252 H ASP 32 H ASP 32 24.547 -3.526 -9.778 253 HA ASP 32 HA ASP 32 24.651 -6.330 -8.895 254 HB2 ASP 32 2HB ASP 32 25.031 -5.663 -11.491 255 HB3 ASP 32 3HB ASP 32 26.675 -5.493 -10.884 256 H ASN 33 H ASN 33 26.361 -3.269 -9.309 257 HA ASN 33 HA ASN 33 28.235 -4.103 -7.193 258 HB2 ASN 33 2HB ASN 33 28.673 -2.853 -9.756 259 HB3 ASN 33 3HB ASN 33 29.259 -1.808 -8.465 260 HD21 ASN 33 2HD2 ASN 33 31.502 -4.440 -7.258 261 HD22 ASN 33 1HD2 ASN 33 30.209 -3.487 -6.622 262 H LYS 34 H LYS 34 25.481 -2.646 -7.296 263 HA LYS 34 HA LYS 34 26.280 -0.469 -5.478 264 HB2 LYS 34 2HB LYS 34 23.833 -0.398 -7.240 265 HB3 LYS 34 3HB LYS 34 24.518 0.918 -6.295 266 HG2 LYS 34 2HG LYS 34 25.865 -0.382 -8.654 267 HG3 LYS 34 3HG LYS 34 24.944 1.123 -8.715 268 HD2 LYS 34 2HD LYS 34 26.676 1.611 -6.664 269 HD3 LYS 34 3HD LYS 34 27.659 0.608 -7.734 270 HE2 LYS 34 2HE LYS 34 26.101 2.980 -8.726 271 HE3 LYS 34 3HE LYS 34 27.744 3.125 -8.103 272 HZ1 LYS 34 3HZ LYS 34 27.598 2.879 -10.552 273 HZ2 LYS 34 1HZ LYS 34 26.978 1.320 -10.330 274 HZ3 LYS 34 2HZ LYS 34 28.543 1.690 -9.806 275 H LYS 35 H LYS 35 24.909 -3.407 -5.617 276 HA LYS 35 HA LYS 35 22.481 -3.328 -4.328 277 HB2 LYS 35 2HB LYS 35 23.201 -5.543 -3.298 278 HB3 LYS 35 3HB LYS 35 23.262 -5.435 -5.052 279 HG2 LYS 35 2HG LYS 35 25.233 -6.538 -4.377 280 HG3 LYS 35 3HG LYS 35 25.710 -4.898 -4.823 281 HD2 LYS 35 2HD LYS 35 26.099 -4.275 -2.632 282 HD3 LYS 35 3HD LYS 35 25.027 -5.517 -1.980 283 HE2 LYS 35 2HE LYS 35 27.439 -5.961 -1.581 284 HE3 LYS 35 3HE LYS 35 26.621 -7.238 -2.480 285 HZ1 LYS 35 3HZ LYS 35 27.868 -5.163 -4.083 286 HZ2 LYS 35 1HZ LYS 35 27.830 -6.838 -4.317 287 HZ3 LYS 35 2HZ LYS 35 28.933 -6.162 -3.228 288 H CYS 36 H CYS 36 22.017 -3.920 -2.023 289 HA CYS 36 HA CYS 36 22.813 -1.939 -0.278 290 HB2 CYS 36 2HB CYS 36 21.604 -4.652 0.124 291 HB3 CYS 36 3HB CYS 36 22.083 -3.698 1.524 292 H THR 37 H THR 37 24.775 -1.497 0.457 293 HA THR 37 HA THR 37 26.529 -3.741 1.222 294 HB THR 37 HB THR 37 28.421 -2.050 0.814 295 HG1 THR 37 HG1 THR 37 27.839 -0.456 -0.784 296 HG21 THR 37 3HG2 THR 37 28.797 -3.111 -1.134 297 HG22 THR 37 1HG2 THR 37 27.267 -2.578 -1.830 298 HG23 THR 37 2HG2 THR 37 27.309 -3.983 -0.764 299 H LYS 38 H LYS 38 24.605 -2.449 2.926 300 HA LYS 38 HA LYS 38 26.419 -1.611 5.042 301 HB2 LYS 38 2HB LYS 38 24.858 0.259 3.576 302 HB3 LYS 38 3HB LYS 38 24.147 0.118 5.179 303 HG2 LYS 38 2HG LYS 38 27.071 0.367 5.140 304 HG3 LYS 38 3HG LYS 38 26.187 1.773 4.544 305 HD2 LYS 38 2HD LYS 38 25.212 0.537 7.053 306 HD3 LYS 38 3HD LYS 38 26.749 1.401 7.132 307 HE2 LYS 38 2HE LYS 38 25.199 3.130 5.697 308 HE3 LYS 38 3HE LYS 38 24.021 2.420 6.800 309 HZ1 LYS 38 3HZ LYS 38 26.192 2.961 8.370 310 HZ2 LYS 38 1HZ LYS 38 24.767 3.870 8.287 311 HZ3 LYS 38 2HZ LYS 38 26.101 4.299 7.339 312 H ASP 39 H ASP 39 25.473 -1.726 7.160 313 HA ASP 39 HA ASP 39 23.426 -3.783 7.315 314 HB2 ASP 39 2HB ASP 39 25.175 -2.501 9.422 315 HB3 ASP 39 3HB ASP 39 23.984 -3.754 9.762 316 H ASN 40 H ASN 40 21.351 -3.338 7.588 317 HA ASN 40 HA ASN 40 19.414 -2.295 8.166 318 HB2 ASN 40 2HB ASN 40 21.028 -0.615 10.085 319 HB3 ASN 40 3HB ASN 40 19.324 -1.048 10.195 320 HD21 ASN 40 2HD2 ASN 40 22.147 -3.391 11.791 321 HD22 ASN 40 1HD2 ASN 40 22.474 -1.854 11.072 322 H ASN 41 H ASN 41 20.744 -1.350 5.925 323 HA ASN 41 HA ASN 41 20.872 1.524 5.982 324 HB2 ASN 41 2HB ASN 41 21.283 1.332 3.563 325 HB3 ASN 41 3HB ASN 41 22.329 0.252 4.480 326 HD21 ASN 41 2HD2 ASN 41 21.183 -2.641 2.976 327 HD22 ASN 41 1HD2 ASN 41 22.251 -1.883 4.103 328 H LYS 42 H LYS 42 19.683 2.345 3.683 329 HA LYS 42 HA LYS 42 16.836 2.014 4.321 330 HB2 LYS 42 2HB LYS 42 18.043 4.175 2.601 331 HB3 LYS 42 3HB LYS 42 16.461 4.161 3.369 332 HG2 LYS 42 2HG LYS 42 18.072 3.935 5.531 333 HG3 LYS 42 3HG LYS 42 19.086 4.900 4.455 334 HD2 LYS 42 2HD LYS 42 16.590 6.057 4.203 335 HD3 LYS 42 3HD LYS 42 16.679 5.639 5.916 336 HE2 LYS 42 2HE LYS 42 18.465 7.038 6.300 337 HE3 LYS 42 3HE LYS 42 19.016 6.968 4.628 338 HZ1 LYS 42 3HZ LYS 42 17.395 8.903 5.843 339 HZ2 LYS 42 1HZ LYS 42 16.477 8.130 4.650 340 HZ3 LYS 42 2HZ LYS 42 17.952 8.854 4.247 341 H CYS 43 H CYS 43 15.828 0.577 3.084 342 HA CYS 43 HA CYS 43 16.086 0.768 0.191 343 HB2 CYS 43 2HB CYS 43 16.524 -1.574 -0.145 344 HB3 CYS 43 3HB CYS 43 17.759 -0.936 0.936 345 H THR 44 H THR 44 14.226 0.297 -0.878 346 HA THR 44 HA THR 44 11.965 -0.656 0.757 347 HB THR 44 HB THR 44 10.469 0.710 -0.571 348 HG1 THR 44 HG1 THR 44 11.521 0.731 -2.558 349 HG21 THR 44 3HG2 THR 44 10.955 2.753 0.390 350 HG22 THR 44 1HG2 THR 44 12.684 2.609 0.078 351 HG23 THR 44 2HG2 THR 44 11.940 1.668 1.372 352 H VAL 45 H VAL 45 10.889 -2.396 0.058 353 HA VAL 45 HA VAL 45 11.699 -3.581 -2.490 354 HB VAL 45 HB VAL 45 10.105 -4.765 -0.211 355 HG11 VAL 45 1HG1 VAL 45 10.828 -5.763 -2.912 356 HG12 VAL 45 2HG1 VAL 45 10.895 -6.903 -1.566 357 HG13 VAL 45 3HG1 VAL 45 9.388 -6.065 -1.940 358 HG21 VAL 45 3HG2 VAL 45 12.311 -6.208 -0.193 359 HG22 VAL 45 1HG2 VAL 45 12.996 -4.755 -0.921 360 HG23 VAL 45 2HG2 VAL 45 12.222 -4.667 0.661 361 H ASP 46 H ASP 46 10.271 -4.125 -4.108 362 HA ASP 46 HA ASP 46 7.506 -3.156 -3.803 363 HB2 ASP 46 2HB ASP 46 9.541 -2.268 -5.654 364 HB3 ASP 46 3HB ASP 46 8.160 -2.930 -6.523 365 H THR 47 H THR 47 6.745 -5.246 -3.416 366 HA THR 47 HA THR 47 7.348 -7.491 -5.014 367 HB THR 47 HB THR 47 5.547 -8.615 -3.923 368 HG1 THR 47 HG1 THR 47 3.771 -7.440 -3.848 369 HG21 THR 47 3HG2 THR 47 7.507 -8.005 -2.515 370 HG22 THR 47 1HG2 THR 47 6.017 -8.208 -1.594 371 HG23 THR 47 2HG2 THR 47 6.616 -6.589 -1.956 372 H TYR 48 H TYR 48 5.429 -4.759 -5.625 373 HA TYR 48 HA TYR 48 3.332 -5.697 -7.156 374 HB2 TYR 48 2HB TYR 48 4.192 -3.243 -6.513 375 HB3 TYR 48 3HB TYR 48 4.768 -3.302 -8.175 376 HD1 TYR 48 HD1 TYR 48 1.666 -4.126 -6.250 377 HD2 TYR 48 HD2 TYR 48 3.350 -2.487 -9.796 378 HE1 TYR 48 HE1 TYR 48 -0.588 -3.541 -7.043 379 HE2 TYR 48 HE2 TYR 48 1.102 -1.896 -10.599 380 HH TYR 48 HH TYR 48 -1.068 -1.714 -10.027 381 H ASN 49 H ASN 49 6.669 -5.040 -8.164 382 HA ASN 49 HA ASN 49 6.279 -6.842 -10.434 383 HB2 ASN 49 2HB ASN 49 7.137 -5.339 -12.047 384 HB3 ASN 49 3HB ASN 49 5.952 -4.408 -11.136 385 HD21 ASN 49 2HD2 ASN 49 8.491 -2.522 -9.398 386 HD22 ASN 49 1HD2 ASN 49 7.045 -3.408 -9.067 387 H ASN 50 H ASN 50 7.743 -6.762 -7.787 388 HA ASN 50 HA ASN 50 9.724 -7.464 -6.919 389 HB2 ASN 50 2HB ASN 50 10.483 -8.447 -9.661 390 HB3 ASN 50 3HB ASN 50 10.886 -9.142 -8.094 391 HD21 ASN 50 2HD2 ASN 50 8.034 -10.864 -9.979 392 HD22 ASN 50 1HD2 ASN 50 9.486 -10.145 -10.578 393 H ALA 51 H ALA 51 10.709 -5.540 -6.435 394 HA ALA 51 HA ALA 51 13.103 -4.910 -7.800 395 HB1 ALA 51 1HB ALA 51 12.601 -3.191 -9.142 396 HB2 ALA 51 2HB ALA 51 10.949 -3.805 -9.063 397 HB3 ALA 51 3HB ALA 51 11.457 -2.501 -7.990 398 H VAL 52 H VAL 52 14.454 -4.080 -6.342 399 HA VAL 52 HA VAL 52 13.299 -2.816 -3.944 400 HB VAL 52 HB VAL 52 14.570 -4.979 -3.637 401 HG11 VAL 52 1HG1 VAL 52 16.940 -3.228 -4.283 402 HG12 VAL 52 2HG1 VAL 52 17.000 -4.893 -3.702 403 HG13 VAL 52 3HG1 VAL 52 16.326 -4.537 -5.293 404 HG21 VAL 52 3HG2 VAL 52 15.734 -4.200 -1.639 405 HG22 VAL 52 1HG2 VAL 52 15.650 -2.539 -2.228 406 HG23 VAL 52 2HG2 VAL 52 14.170 -3.401 -1.806 407 H ASP 53 H ASP 53 14.331 -0.996 -3.047 408 HA ASP 53 HA ASP 53 16.027 0.471 -4.957 409 HB2 ASP 53 2HB ASP 53 13.839 1.331 -3.114 410 HB3 ASP 53 3HB ASP 53 15.141 2.467 -3.457 411 H CYS 54 H CYS 54 17.666 -0.992 -3.753 412 HA CYS 54 HA CYS 54 18.439 -0.623 -1.135 413 HB2 CYS 54 2HB CYS 54 20.195 -1.066 -3.558 414 HB3 CYS 54 3HB CYS 54 20.727 -1.255 -1.891 415 H ASP 55 H ASP 55 20.208 0.610 -0.209 416 HA ASP 55 HA ASP 55 20.019 3.377 -0.855 417 HB2 ASP 55 2HB ASP 55 20.334 2.943 1.426 418 HB3 ASP 55 3HB ASP 55 21.629 1.788 1.123 Start of MODEL 15 1 H1 ALA 1 H ALA 1 1.600 1.399 -3.568 2 HA ALA 1 HA ALA 1 2.464 2.541 -1.299 3 HB1 ALA 1 1HB ALA 1 0.107 1.103 -0.661 4 HB2 ALA 1 2HB ALA 1 1.466 0.286 0.112 5 HB3 ALA 1 3HB ALA 1 1.175 1.998 0.421 6 H LYS 2 H LYS 2 4.373 1.659 -0.579 7 HA LYS 2 HA LYS 2 5.092 -0.984 -1.664 8 HB2 LYS 2 2HB LYS 2 7.347 -0.163 -2.094 9 HB3 LYS 2 3HB LYS 2 6.165 0.805 -2.965 10 HG2 LYS 2 2HG LYS 2 6.583 2.670 -1.744 11 HG3 LYS 2 3HG LYS 2 6.988 1.761 -0.286 12 HD2 LYS 2 2HD LYS 2 9.076 2.478 -0.847 13 HD3 LYS 2 3HD LYS 2 9.034 0.995 -1.802 14 HE2 LYS 2 2HE LYS 2 9.238 2.144 -3.694 15 HE3 LYS 2 3HE LYS 2 7.856 3.158 -3.280 16 HZ1 LYS 2 3HZ LYS 2 9.351 4.791 -3.171 17 HZ2 LYS 2 1HZ LYS 2 10.667 3.731 -3.099 18 HZ3 LYS 2 2HZ LYS 2 9.819 4.123 -1.689 19 H TYR 3 H TYR 3 7.056 -1.914 -0.539 20 HA TYR 3 HA TYR 3 6.646 -1.663 2.335 21 HB2 TYR 3 2HB TYR 3 8.371 -3.647 0.843 22 HB3 TYR 3 3HB TYR 3 7.860 -3.745 2.525 23 HD1 TYR 3 HD1 TYR 3 7.183 -4.833 -0.746 24 HD2 TYR 3 HD2 TYR 3 5.244 -3.749 2.882 25 HE1 TYR 3 HE1 TYR 3 5.197 -6.112 -1.432 26 HE2 TYR 3 HE2 TYR 3 3.253 -5.026 2.207 27 HH TYR 3 HH TYR 3 2.667 -6.868 0.712 28 H THR 4 H THR 4 8.390 -1.425 3.815 29 HA THR 4 HA THR 4 10.845 -0.271 2.677 30 HB THR 4 HB THR 4 9.492 0.856 5.128 31 HG1 THR 4 HG1 THR 4 8.401 2.190 3.862 32 HG21 THR 4 3HG2 THR 4 12.011 1.312 3.740 33 HG22 THR 4 1HG2 THR 4 11.503 1.817 5.351 34 HG23 THR 4 2HG2 THR 4 11.070 2.790 3.945 35 H GLY 5 H GLY 5 12.712 -0.885 3.637 36 HA2 GLY 5 2HA GLY 5 12.726 -1.986 6.316 37 HA3 GLY 5 3HA GLY 5 13.040 -3.159 5.046 38 H LYS 6 H LYS 6 15.135 -3.523 5.875 39 HA LYS 6 HA LYS 6 17.069 -1.525 4.975 40 HB2 LYS 6 2HB LYS 6 17.417 -2.863 7.650 41 HB3 LYS 6 3HB LYS 6 18.306 -1.496 6.991 42 HG2 LYS 6 2HG LYS 6 16.952 -0.388 8.432 43 HG3 LYS 6 3HG LYS 6 15.900 -0.392 7.014 44 HD2 LYS 6 2HD LYS 6 14.427 -1.827 7.951 45 HD3 LYS 6 3HD LYS 6 15.689 -2.751 8.769 46 HE2 LYS 6 2HE LYS 6 15.031 0.019 9.682 47 HE3 LYS 6 3HE LYS 6 14.004 -1.332 10.160 48 HZ1 LYS 6 3HZ LYS 6 16.458 -0.543 11.258 49 HZ2 LYS 6 1HZ LYS 6 16.665 -2.077 10.575 50 HZ3 LYS 6 2HZ LYS 6 15.459 -1.823 11.734 51 H CYS 7 H CYS 7 19.119 -2.373 4.450 52 HA CYS 7 HA CYS 7 19.080 -5.262 3.949 53 HB2 CYS 7 2HB CYS 7 19.881 -3.016 2.402 54 HB3 CYS 7 3HB CYS 7 21.322 -3.974 2.726 55 H THR 8 H THR 8 21.295 -6.326 4.009 56 HA THR 8 HA THR 8 22.855 -5.339 6.304 57 HB THR 8 HB THR 8 22.833 -8.254 6.017 58 HG1 THR 8 HG1 THR 8 20.448 -6.909 6.819 59 HG21 THR 8 3HG2 THR 8 22.931 -8.217 8.334 60 HG22 THR 8 1HG2 THR 8 22.034 -6.704 8.451 61 HG23 THR 8 2HG2 THR 8 23.712 -6.694 7.910 62 H LYS 9 H LYS 9 24.913 -5.024 5.804 63 HA LYS 9 HA LYS 9 26.039 -5.691 3.320 64 HB2 LYS 9 2HB LYS 9 28.167 -4.943 4.289 65 HB3 LYS 9 3HB LYS 9 26.860 -3.829 4.669 66 HG2 LYS 9 2HG LYS 9 27.251 -4.041 6.835 67 HG3 LYS 9 3HG LYS 9 27.071 -5.794 6.738 68 HD2 LYS 9 2HD LYS 9 29.608 -4.706 5.701 69 HD3 LYS 9 3HD LYS 9 29.361 -4.549 7.442 70 HE2 LYS 9 2HE LYS 9 29.647 -6.741 7.786 71 HE3 LYS 9 3HE LYS 9 28.631 -7.176 6.413 72 HZ1 LYS 9 3HZ LYS 9 31.517 -6.520 6.403 73 HZ2 LYS 9 1HZ LYS 9 30.592 -6.551 4.987 74 HZ3 LYS 9 2HZ LYS 9 30.772 -7.956 5.911 75 H SER 10 H SER 10 25.577 -7.563 6.119 76 HA SER 10 HA SER 10 27.724 -9.265 6.241 77 HB2 SER 10 2HB SER 10 24.939 -9.354 7.039 78 HB3 SER 10 3HB SER 10 25.505 -10.948 6.541 79 HG SER 10 HG SER 10 25.838 -10.238 8.832 80 H LYS 11 H LYS 11 24.779 -9.877 4.319 81 HA LYS 11 HA LYS 11 26.425 -11.106 2.244 82 HB2 LYS 11 2HB LYS 11 24.932 -12.625 4.120 83 HB3 LYS 11 3HB LYS 11 24.092 -12.731 2.579 84 HG2 LYS 11 2HG LYS 11 25.810 -13.843 1.559 85 HG3 LYS 11 3HG LYS 11 27.036 -13.153 2.625 86 HD2 LYS 11 2HD LYS 11 26.567 -14.651 4.340 87 HD3 LYS 11 3HD LYS 11 24.963 -15.026 3.705 88 HE2 LYS 11 2HE LYS 11 26.091 -16.104 1.746 89 HE3 LYS 11 3HE LYS 11 27.627 -15.880 2.583 90 HZ1 LYS 11 3HZ LYS 11 25.408 -17.268 3.932 91 HZ2 LYS 11 1HZ LYS 11 27.074 -17.411 4.192 92 HZ3 LYS 11 2HZ LYS 11 26.370 -18.104 2.819 93 H ASN 12 H ASN 12 24.458 -8.767 2.833 94 HA ASN 12 HA ASN 12 23.030 -7.495 1.601 95 HB2 ASN 12 2HB ASN 12 23.999 -7.455 -0.430 96 HB3 ASN 12 3HB ASN 12 24.392 -9.171 -0.367 97 HD21 ASN 12 2HD2 ASN 12 21.126 -7.837 -2.349 98 HD22 ASN 12 1HD2 ASN 12 22.106 -6.788 -1.387 99 H GLU 13 H GLU 13 20.941 -7.519 2.072 100 HA GLU 13 HA GLU 13 19.051 -9.188 0.883 101 HB2 GLU 13 2HB GLU 13 20.401 -10.515 2.940 102 HB3 GLU 13 3HB GLU 13 18.869 -10.027 3.651 103 HG2 GLU 13 2HG GLU 13 17.701 -11.095 1.745 104 HG3 GLU 13 3HG GLU 13 19.261 -11.679 1.168 105 H CYS 14 H CYS 14 17.538 -7.669 0.735 106 HA CYS 14 HA CYS 14 17.093 -5.788 2.898 107 HB2 CYS 14 2HB CYS 14 17.108 -5.070 0.508 108 HB3 CYS 14 3HB CYS 14 15.649 -6.023 0.251 109 H LYS 15 H LYS 15 15.722 -6.174 4.493 110 HA LYS 15 HA LYS 15 13.781 -8.314 4.282 111 HB2 LYS 15 2HB LYS 15 15.111 -8.071 6.329 112 HB3 LYS 15 3HB LYS 15 14.440 -6.465 6.583 113 HG2 LYS 15 2HG LYS 15 12.525 -8.709 6.324 114 HG3 LYS 15 3HG LYS 15 13.489 -8.622 7.800 115 HD2 LYS 15 2HD LYS 15 12.225 -6.107 6.884 116 HD3 LYS 15 3HD LYS 15 11.145 -7.357 7.506 117 HE2 LYS 15 2HE LYS 15 13.534 -6.926 9.139 118 HE3 LYS 15 3HE LYS 15 12.484 -5.515 9.024 119 HZ1 LYS 15 3HZ LYS 15 10.628 -7.169 9.583 120 HZ2 LYS 15 1HZ LYS 15 11.655 -6.669 10.832 121 HZ3 LYS 15 2HZ LYS 15 11.872 -8.185 10.115 122 H TYR 16 H TYR 16 11.534 -8.059 4.724 123 HA TYR 16 HA TYR 16 10.259 -5.565 5.025 124 HB2 TYR 16 2HB TYR 16 9.410 -5.123 2.847 125 HB3 TYR 16 3HB TYR 16 11.144 -5.359 2.659 126 HD1 TYR 16 HD1 TYR 16 11.841 -7.866 2.118 127 HD2 TYR 16 HD2 TYR 16 8.003 -6.192 1.363 128 HE1 TYR 16 HE1 TYR 16 11.426 -9.598 0.421 129 HE2 TYR 16 HE2 TYR 16 7.577 -7.920 -0.334 130 HH TYR 16 HH TYR 16 8.792 -9.438 -1.761 131 H LYS 17 H LYS 17 7.847 -5.955 3.835 132 HA LYS 17 HA LYS 17 6.969 -8.555 4.912 133 HB2 LYS 17 2HB LYS 17 4.815 -7.434 5.454 134 HB3 LYS 17 3HB LYS 17 6.183 -6.788 6.351 135 HG2 LYS 17 2HG LYS 17 6.278 -5.013 4.481 136 HG3 LYS 17 3HG LYS 17 4.634 -5.542 4.117 137 HD2 LYS 17 2HD LYS 17 4.387 -5.235 6.753 138 HD3 LYS 17 3HD LYS 17 5.688 -4.076 6.471 139 HE2 LYS 17 2HE LYS 17 4.373 -2.729 5.132 140 HE3 LYS 17 3HE LYS 17 3.271 -4.040 4.716 141 HZ1 LYS 17 3HZ LYS 17 1.930 -3.290 6.292 142 HZ2 LYS 17 1HZ LYS 17 3.065 -2.143 6.801 143 HZ3 LYS 17 2HZ LYS 17 3.087 -3.703 7.455 144 H ASN 18 H ASN 18 5.354 -9.674 3.808 145 HA ASN 18 HA ASN 18 4.832 -8.710 1.072 146 HB2 ASN 18 2HB ASN 18 4.452 -11.319 0.747 147 HB3 ASN 18 3HB ASN 18 6.058 -10.605 0.642 148 HD21 ASN 18 2HD2 ASN 18 7.236 -12.025 3.638 149 HD22 ASN 18 1HD2 ASN 18 7.415 -10.711 2.531 150 H ASP 19 H ASP 19 3.456 -11.268 3.131 151 HA ASP 19 HA ASP 19 0.808 -10.754 2.195 152 HB2 ASP 19 2HB ASP 19 2.061 -12.612 4.160 153 HB3 ASP 19 3HB ASP 19 0.328 -12.325 4.288 154 H ALA 20 H ALA 20 1.848 -10.840 5.593 155 HA ALA 20 HA ALA 20 0.641 -8.222 6.047 156 HB1 ALA 20 1HB ALA 20 -0.191 -10.618 7.675 157 HB2 ALA 20 2HB ALA 20 -0.799 -8.967 7.810 158 HB3 ALA 20 3HB ALA 20 -1.152 -9.921 6.369 159 H GLY 21 H GLY 21 3.193 -8.266 6.131 160 HA2 GLY 21 2HA GLY 21 4.749 -7.428 7.704 161 HA3 GLY 21 3HA GLY 21 3.854 -8.237 8.983 162 H LYS 22 H LYS 22 4.213 -10.324 6.410 163 HA LYS 22 HA LYS 22 5.800 -12.153 7.780 164 HB2 LYS 22 2HB LYS 22 4.719 -11.880 5.075 165 HB3 LYS 22 3HB LYS 22 6.234 -12.772 5.127 166 HG2 LYS 22 2HG LYS 22 4.009 -13.458 7.002 167 HG3 LYS 22 3HG LYS 22 4.003 -14.051 5.339 168 HD2 LYS 22 2HD LYS 22 5.208 -15.757 6.165 169 HD3 LYS 22 3HD LYS 22 6.555 -14.616 6.120 170 HE2 LYS 22 2HE LYS 22 5.295 -14.041 8.509 171 HE3 LYS 22 3HE LYS 22 5.176 -15.796 8.396 172 HZ1 LYS 22 3HZ LYS 22 7.771 -14.762 7.703 173 HZ2 LYS 22 1HZ LYS 22 7.354 -16.034 8.738 174 HZ3 LYS 22 2HZ LYS 22 7.325 -14.440 9.303 175 H ASP 23 H ASP 23 7.778 -11.653 8.507 176 HA ASP 23 HA ASP 23 9.583 -9.886 7.279 177 HB2 ASP 23 2HB ASP 23 10.309 -12.151 9.144 178 HB3 ASP 23 3HB ASP 23 11.201 -10.655 8.882 179 H THR 24 H THR 24 9.932 -10.352 5.135 180 HA THR 24 HA THR 24 11.387 -12.858 4.589 181 HB THR 24 HB THR 24 9.522 -11.373 2.728 182 HG1 THR 24 HG1 THR 24 9.322 -14.027 3.739 183 HG21 THR 24 3HG2 THR 24 11.514 -13.544 2.286 184 HG22 THR 24 1HG2 THR 24 11.049 -12.209 1.232 185 HG23 THR 24 2HG2 THR 24 9.990 -13.610 1.401 186 H PHE 25 H PHE 25 13.327 -12.689 3.626 187 HA PHE 25 HA PHE 25 14.323 -10.002 3.068 188 HB2 PHE 25 2HB PHE 25 15.972 -12.518 3.000 189 HB3 PHE 25 3HB PHE 25 16.497 -10.868 3.320 190 HD1 PHE 25 HD1 PHE 25 14.548 -10.013 5.345 191 HD2 PHE 25 HD2 PHE 25 16.601 -13.713 4.882 192 HE1 PHE 25 HE1 PHE 25 14.354 -10.420 7.764 193 HE2 PHE 25 HE2 PHE 25 16.410 -14.126 7.300 194 HZ PHE 25 HZ PHE 25 15.285 -12.478 8.744 195 H ILE 26 H ILE 26 14.819 -9.272 1.086 196 HA ILE 26 HA ILE 26 14.810 -11.189 -1.148 197 HB ILE 26 HB ILE 26 12.674 -10.074 -1.217 198 HG12 ILE 26 2HG1 ILE 26 12.804 -9.027 -3.435 199 HG13 ILE 26 3HG1 ILE 26 14.549 -8.870 -3.266 200 HG21 ILE 26 1HG2 ILE 26 13.430 -8.101 0.140 201 HG22 ILE 26 2HG2 ILE 26 14.121 -7.438 -1.340 202 HG23 ILE 26 3HG2 ILE 26 12.383 -7.714 -1.226 203 HD11 ILE 26 3HD1 ILE 26 13.028 -11.465 -3.352 204 HD12 ILE 26 1HD1 ILE 26 13.926 -10.749 -4.690 205 HD13 ILE 26 2HD1 ILE 26 14.778 -11.284 -3.242 206 H LYS 27 H LYS 27 16.670 -11.137 -2.201 207 HA LYS 27 HA LYS 27 18.746 -9.357 -1.742 208 HB2 LYS 27 2HB LYS 27 18.187 -11.056 -4.178 209 HB3 LYS 27 3HB LYS 27 19.713 -10.235 -3.876 210 HG2 LYS 27 2HG LYS 27 19.923 -11.531 -1.766 211 HG3 LYS 27 3HG LYS 27 18.476 -12.430 -2.229 212 HD2 LYS 27 2HD LYS 27 20.123 -12.527 -4.473 213 HD3 LYS 27 3HD LYS 27 21.214 -12.757 -3.105 214 HE2 LYS 27 2HE LYS 27 20.168 -14.700 -2.430 215 HE3 LYS 27 3HE LYS 27 18.645 -14.275 -3.209 216 HZ1 LYS 27 3HZ LYS 27 19.317 -15.705 -4.771 217 HZ2 LYS 27 1HZ LYS 27 20.935 -15.661 -4.281 218 HZ3 LYS 27 2HZ LYS 27 20.328 -14.456 -5.300 219 H CYS 28 H CYS 28 19.804 -8.103 -3.679 220 HA CYS 28 HA CYS 28 17.738 -6.289 -4.737 221 HB2 CYS 28 2HB CYS 28 20.618 -5.502 -4.479 222 HB3 CYS 28 3HB CYS 28 19.181 -4.485 -4.461 223 HA PRO 29 HA PRO 29 19.598 -8.390 -8.416 224 HB2 PRO 29 2HB PRO 29 17.241 -8.645 -9.739 225 HB3 PRO 29 3HB PRO 29 17.811 -9.828 -8.556 226 HG2 PRO 29 2HG PRO 29 15.831 -7.610 -8.212 227 HG3 PRO 29 3HG PRO 29 15.754 -9.279 -7.621 228 HD2 PRO 29 2HD PRO 29 16.477 -7.205 -6.038 229 HD3 PRO 29 3HD PRO 29 17.134 -8.840 -5.828 230 H LYS 30 H LYS 30 17.662 -5.583 -7.865 231 HA LYS 30 HA LYS 30 17.493 -4.518 -10.444 232 HB2 LYS 30 2HB LYS 30 17.549 -3.284 -7.706 233 HB3 LYS 30 3HB LYS 30 17.503 -2.271 -9.143 234 HG2 LYS 30 2HG LYS 30 15.491 -4.444 -8.660 235 HG3 LYS 30 3HG LYS 30 15.288 -2.809 -8.028 236 HD2 LYS 30 2HD LYS 30 15.904 -3.199 -10.924 237 HD3 LYS 30 3HD LYS 30 14.260 -3.473 -10.342 238 HE2 LYS 30 2HE LYS 30 14.012 -1.270 -10.707 239 HE3 LYS 30 3HE LYS 30 14.842 -1.103 -9.160 240 HZ1 LYS 30 3HZ LYS 30 16.566 -0.152 -10.153 241 HZ2 LYS 30 1HZ LYS 30 15.651 -0.078 -11.574 242 HZ3 LYS 30 2HZ LYS 30 16.691 -1.385 -11.304 243 H PHE 31 H PHE 31 19.790 -3.488 -7.913 244 HA PHE 31 HA PHE 31 21.643 -2.675 -10.039 245 HB2 PHE 31 2HB PHE 31 22.168 -1.978 -7.195 246 HB3 PHE 31 3HB PHE 31 22.437 -1.029 -8.653 247 HD1 PHE 31 HD1 PHE 31 19.960 -2.057 -6.149 248 HD2 PHE 31 HD2 PHE 31 20.739 0.406 -9.532 249 HE1 PHE 31 HE1 PHE 31 17.899 -0.792 -5.698 250 HE2 PHE 31 HE2 PHE 31 18.679 1.675 -9.086 251 HZ PHE 31 HZ PHE 31 17.256 1.078 -7.167 252 H ASP 32 H ASP 32 22.541 -4.687 -10.513 253 HA ASP 32 HA ASP 32 23.572 -6.456 -8.556 254 HB2 ASP 32 2HB ASP 32 24.849 -7.409 -10.558 255 HB3 ASP 32 3HB ASP 32 23.091 -7.410 -10.661 256 H ASN 33 H ASN 33 24.684 -3.485 -9.705 257 HA ASN 33 HA ASN 33 27.433 -4.077 -8.830 258 HB2 ASN 33 2HB ASN 33 26.334 -2.421 -11.012 259 HB3 ASN 33 3HB ASN 33 27.649 -1.681 -10.104 260 HD21 ASN 33 2HD2 ASN 33 29.911 -4.414 -10.967 261 HD22 ASN 33 1HD2 ASN 33 29.321 -3.646 -9.536 262 H LYS 34 H LYS 34 24.612 -2.173 -8.279 263 HA LYS 34 HA LYS 34 26.042 -0.660 -6.192 264 HB2 LYS 34 2HB LYS 34 23.459 0.211 -7.476 265 HB3 LYS 34 3HB LYS 34 24.565 1.170 -6.501 266 HG2 LYS 34 2HG LYS 34 25.186 0.073 -9.236 267 HG3 LYS 34 3HG LYS 34 24.663 1.724 -8.895 268 HD2 LYS 34 2HD LYS 34 26.958 0.804 -7.309 269 HD3 LYS 34 3HD LYS 34 27.257 0.921 -9.044 270 HE2 LYS 34 2HE LYS 34 27.690 3.079 -8.600 271 HE3 LYS 34 3HE LYS 34 25.935 3.247 -8.574 272 HZ1 LYS 34 3HZ LYS 34 27.830 3.398 -6.404 273 HZ2 LYS 34 1HZ LYS 34 26.466 2.458 -6.060 274 HZ3 LYS 34 2HZ LYS 34 26.283 4.069 -6.540 275 H LYS 35 H LYS 35 24.878 -3.315 -5.951 276 HA LYS 35 HA LYS 35 22.368 -3.208 -4.652 277 HB2 LYS 35 2HB LYS 35 22.972 -5.472 -3.808 278 HB3 LYS 35 3HB LYS 35 23.164 -5.297 -5.548 279 HG2 LYS 35 2HG LYS 35 25.648 -4.642 -4.685 280 HG3 LYS 35 3HG LYS 35 25.162 -5.827 -3.470 281 HD2 LYS 35 2HD LYS 35 25.046 -7.537 -4.988 282 HD3 LYS 35 3HD LYS 35 24.661 -6.462 -6.333 283 HE2 LYS 35 2HE LYS 35 26.935 -5.719 -6.469 284 HE3 LYS 35 3HE LYS 35 27.356 -6.579 -4.989 285 HZ1 LYS 35 3HZ LYS 35 27.934 -8.263 -6.292 286 HZ2 LYS 35 1HZ LYS 35 27.261 -7.542 -7.666 287 HZ3 LYS 35 2HZ LYS 35 26.296 -8.488 -6.649 288 H CYS 36 H CYS 36 22.474 -4.392 -2.274 289 HA CYS 36 HA CYS 36 22.987 -2.375 -0.461 290 HB2 CYS 36 2HB CYS 36 23.092 -5.330 0.170 291 HB3 CYS 36 3HB CYS 36 22.700 -4.022 1.281 292 H THR 37 H THR 37 24.684 -1.748 0.781 293 HA THR 37 HA THR 37 27.141 -3.324 0.764 294 HB THR 37 HB THR 37 28.375 -1.049 0.356 295 HG1 THR 37 HG1 THR 37 25.796 -0.626 -0.753 296 HG21 THR 37 3HG2 THR 37 27.688 -3.239 -1.262 297 HG22 THR 37 1HG2 THR 37 29.009 -2.098 -1.505 298 HG23 THR 37 2HG2 THR 37 27.441 -1.804 -2.256 299 H LYS 38 H LYS 38 24.942 -2.124 2.610 300 HA LYS 38 HA LYS 38 26.820 -1.377 4.725 301 HB2 LYS 38 2HB LYS 38 25.383 0.562 3.428 302 HB3 LYS 38 3HB LYS 38 24.323 0.174 4.778 303 HG2 LYS 38 2HG LYS 38 25.776 2.010 5.358 304 HG3 LYS 38 3HG LYS 38 26.173 0.594 6.335 305 HD2 LYS 38 2HD LYS 38 27.789 0.336 4.102 306 HD3 LYS 38 3HD LYS 38 27.811 2.068 4.441 307 HE2 LYS 38 2HE LYS 38 28.209 0.085 6.647 308 HE3 LYS 38 3HE LYS 38 29.549 0.516 5.586 309 HZ1 LYS 38 3HZ LYS 38 27.942 2.572 6.977 310 HZ2 LYS 38 1HZ LYS 38 29.475 2.731 6.280 311 HZ3 LYS 38 2HZ LYS 38 29.283 1.846 7.709 312 H ASP 39 H ASP 39 25.431 -1.104 6.862 313 HA ASP 39 HA ASP 39 23.634 -3.436 6.981 314 HB2 ASP 39 2HB ASP 39 25.972 -3.186 8.306 315 HB3 ASP 39 3HB ASP 39 24.884 -2.449 9.479 316 H ASN 40 H ASN 40 21.605 -3.138 7.654 317 HA ASN 40 HA ASN 40 19.716 -2.146 8.444 318 HB2 ASN 40 2HB ASN 40 21.411 -0.259 10.062 319 HB3 ASN 40 3HB ASN 40 19.826 -0.924 10.448 320 HD21 ASN 40 2HD2 ASN 40 21.037 -3.790 11.979 321 HD22 ASN 40 1HD2 ASN 40 19.671 -2.897 11.412 322 H ASN 41 H ASN 41 21.285 -1.047 6.139 323 HA ASN 41 HA ASN 41 20.998 1.770 6.098 324 HB2 ASN 41 2HB ASN 41 21.202 1.448 3.581 325 HB3 ASN 41 3HB ASN 41 22.533 0.827 4.553 326 HD21 ASN 41 2HD2 ASN 41 21.939 -2.547 3.806 327 HD22 ASN 41 1HD2 ASN 41 22.661 -1.438 4.917 328 H LYS 42 H LYS 42 19.675 2.525 3.905 329 HA LYS 42 HA LYS 42 16.890 1.906 4.584 330 HB2 LYS 42 2HB LYS 42 17.918 4.181 2.884 331 HB3 LYS 42 3HB LYS 42 16.305 4.004 3.564 332 HG2 LYS 42 2HG LYS 42 17.940 3.892 5.778 333 HG3 LYS 42 3HG LYS 42 18.718 5.097 4.749 334 HD2 LYS 42 2HD LYS 42 16.301 6.035 4.490 335 HD3 LYS 42 3HD LYS 42 15.984 5.117 5.964 336 HE2 LYS 42 2HE LYS 42 16.606 7.126 6.865 337 HE3 LYS 42 3HE LYS 42 18.174 6.324 6.787 338 HZ1 LYS 42 3HZ LYS 42 17.091 8.368 4.936 339 HZ2 LYS 42 1HZ LYS 42 18.457 7.439 4.573 340 HZ3 LYS 42 2HZ LYS 42 18.470 8.475 5.910 341 H CYS 43 H CYS 43 15.847 0.517 3.333 342 HA CYS 43 HA CYS 43 16.182 0.644 0.441 343 HB2 CYS 43 2HB CYS 43 16.637 -1.683 0.160 344 HB3 CYS 43 3HB CYS 43 17.796 -1.077 1.338 345 H THR 44 H THR 44 14.354 0.146 -0.680 346 HA THR 44 HA THR 44 12.031 -0.737 0.907 347 HB THR 44 HB THR 44 10.614 0.596 -0.645 348 HG1 THR 44 HG1 THR 44 11.865 0.898 -2.430 349 HG21 THR 44 3HG2 THR 44 10.767 2.442 0.663 350 HG22 THR 44 1HG2 THR 44 12.505 2.606 0.416 351 HG23 THR 44 2HG2 THR 44 11.886 1.431 1.577 352 H VAL 45 H VAL 45 10.611 -2.193 -0.017 353 HA VAL 45 HA VAL 45 11.567 -3.482 -2.488 354 HB VAL 45 HB VAL 45 9.970 -4.679 -0.220 355 HG11 VAL 45 1HG1 VAL 45 10.931 -5.853 -2.821 356 HG12 VAL 45 2HG1 VAL 45 10.393 -6.825 -1.450 357 HG13 VAL 45 3HG1 VAL 45 9.270 -5.720 -2.244 358 HG21 VAL 45 3HG2 VAL 45 12.520 -4.169 -0.007 359 HG22 VAL 45 1HG2 VAL 45 11.888 -5.734 0.505 360 HG23 VAL 45 2HG2 VAL 45 12.694 -5.577 -1.056 361 H ASP 46 H ASP 46 10.174 -3.864 -4.150 362 HA ASP 46 HA ASP 46 7.417 -2.871 -3.822 363 HB2 ASP 46 2HB ASP 46 9.475 -2.080 -5.688 364 HB3 ASP 46 3HB ASP 46 8.077 -2.716 -6.550 365 H THR 47 H THR 47 5.961 -4.425 -4.011 366 HA THR 47 HA THR 47 6.657 -6.927 -5.325 367 HB THR 47 HB THR 47 5.558 -7.063 -3.150 368 HG1 THR 47 HG1 THR 47 3.687 -8.366 -3.925 369 HG21 THR 47 3HG2 THR 47 3.019 -6.472 -3.209 370 HG22 THR 47 1HG2 THR 47 3.489 -5.384 -4.514 371 HG23 THR 47 2HG2 THR 47 4.202 -5.199 -2.911 372 H TYR 48 H TYR 48 6.506 -4.919 -7.171 373 HA TYR 48 HA TYR 48 3.969 -5.492 -8.557 374 HB2 TYR 48 2HB TYR 48 4.275 -3.102 -7.799 375 HB3 TYR 48 3HB TYR 48 5.635 -2.996 -8.912 376 HD1 TYR 48 HD1 TYR 48 2.043 -4.043 -8.935 377 HD2 TYR 48 HD2 TYR 48 5.225 -2.122 -11.005 378 HE1 TYR 48 HE1 TYR 48 0.497 -3.459 -10.756 379 HE2 TYR 48 HE2 TYR 48 3.688 -1.532 -12.832 380 HH TYR 48 HH TYR 48 0.449 -1.554 -12.589 381 H ASN 49 H ASN 49 7.443 -5.130 -8.800 382 HA ASN 49 HA ASN 49 7.468 -6.784 -11.170 383 HB2 ASN 49 2HB ASN 49 9.008 -5.076 -12.337 384 HB3 ASN 49 3HB ASN 49 7.273 -4.772 -12.363 385 HD21 ASN 49 2HD2 ASN 49 9.684 -2.456 -9.999 386 HD22 ASN 49 1HD2 ASN 49 10.128 -4.084 -10.374 387 H ASN 50 H ASN 50 8.451 -6.728 -8.341 388 HA ASN 50 HA ASN 50 10.302 -7.279 -7.131 389 HB2 ASN 50 2HB ASN 50 11.036 -8.506 -9.797 390 HB3 ASN 50 3HB ASN 50 11.893 -8.827 -8.293 391 HD21 ASN 50 2HD2 ASN 50 9.611 -11.601 -8.604 392 HD22 ASN 50 1HD2 ASN 50 11.076 -11.006 -9.301 393 H ALA 51 H ALA 51 10.963 -5.089 -6.853 394 HA ALA 51 HA ALA 51 13.601 -4.586 -7.932 395 HB1 ALA 51 1HB ALA 51 12.999 -2.263 -8.643 396 HB2 ALA 51 2HB ALA 51 12.334 -3.542 -9.659 397 HB3 ALA 51 3HB ALA 51 11.303 -2.721 -8.487 398 H VAL 52 H VAL 52 14.665 -4.331 -6.073 399 HA VAL 52 HA VAL 52 13.417 -2.910 -3.851 400 HB VAL 52 HB VAL 52 14.716 -5.119 -3.617 401 HG11 VAL 52 1HG1 VAL 52 17.095 -4.979 -3.376 402 HG12 VAL 52 2HG1 VAL 52 16.663 -4.324 -4.957 403 HG13 VAL 52 3HG1 VAL 52 17.067 -3.234 -3.630 404 HG21 VAL 52 3HG2 VAL 52 13.956 -3.608 -1.766 405 HG22 VAL 52 1HG2 VAL 52 15.388 -4.568 -1.396 406 HG23 VAL 52 2HG2 VAL 52 15.553 -2.861 -1.806 407 H ASP 53 H ASP 53 14.709 -1.315 -2.638 408 HA ASP 53 HA ASP 53 16.344 0.327 -4.459 409 HB2 ASP 53 2HB ASP 53 14.002 1.117 -3.466 410 HB3 ASP 53 3HB ASP 53 15.013 1.553 -2.091 411 H CYS 54 H CYS 54 17.822 -1.488 -3.321 412 HA CYS 54 HA CYS 54 18.718 -1.059 -0.698 413 HB2 CYS 54 2HB CYS 54 19.986 -2.325 -3.117 414 HB3 CYS 54 3HB CYS 54 20.849 -2.206 -1.587 415 H ASP 55 H ASP 55 20.323 0.180 0.178 416 HA ASP 55 HA ASP 55 20.930 2.641 -1.041 417 HB2 ASP 55 2HB ASP 55 21.332 1.408 1.501 418 HB3 ASP 55 3HB ASP 55 22.869 2.085 0.970 Start of MODEL 16 1 H1 ALA 1 H ALA 1 1.565 -0.860 0.231 2 HA ALA 1 HA ALA 1 1.793 0.414 -1.914 3 HB1 ALA 1 1HB ALA 1 2.397 2.909 -1.312 4 HB2 ALA 1 2HB ALA 1 0.725 2.403 -1.561 5 HB3 ALA 1 3HB ALA 1 1.359 2.581 0.076 6 H LYS 2 H LYS 2 3.646 -0.837 -1.975 7 HA LYS 2 HA LYS 2 5.881 -1.258 -1.939 8 HB2 LYS 2 2HB LYS 2 6.144 1.006 -2.766 9 HB3 LYS 2 3HB LYS 2 6.004 1.654 -1.137 10 HG2 LYS 2 2HG LYS 2 8.145 1.196 -0.627 11 HG3 LYS 2 3HG LYS 2 8.147 -0.322 -1.528 12 HD2 LYS 2 2HD LYS 2 9.607 1.020 -2.745 13 HD3 LYS 2 3HD LYS 2 8.085 1.184 -3.625 14 HE2 LYS 2 2HE LYS 2 7.903 3.194 -1.782 15 HE3 LYS 2 3HE LYS 2 9.630 3.177 -2.136 16 HZ1 LYS 2 3HZ LYS 2 8.996 4.489 -3.829 17 HZ2 LYS 2 1HZ LYS 2 7.399 3.929 -3.831 18 HZ3 LYS 2 2HZ LYS 2 8.611 3.028 -4.591 19 H TYR 3 H TYR 3 7.559 -1.864 -0.517 20 HA TYR 3 HA TYR 3 6.847 -1.632 2.333 21 HB2 TYR 3 2HB TYR 3 8.325 -3.879 0.948 22 HB3 TYR 3 3HB TYR 3 7.938 -3.807 2.663 23 HD1 TYR 3 HD1 TYR 3 6.979 -5.236 -0.329 24 HD2 TYR 3 HD2 TYR 3 5.295 -3.308 3.070 25 HE1 TYR 3 HE1 TYR 3 4.827 -6.340 -0.777 26 HE2 TYR 3 HE2 TYR 3 3.139 -4.407 2.632 27 HH TYR 3 HH TYR 3 2.066 -5.447 0.192 28 H THR 4 H THR 4 8.216 -0.523 3.545 29 HA THR 4 HA THR 4 10.902 0.034 2.515 30 HB THR 4 HB THR 4 9.497 1.336 4.853 31 HG1 THR 4 HG1 THR 4 8.350 1.877 3.023 32 HG21 THR 4 3HG2 THR 4 11.615 2.024 5.225 33 HG22 THR 4 1HG2 THR 4 11.282 3.141 3.902 34 HG23 THR 4 2HG2 THR 4 12.140 1.632 3.588 35 H GLY 5 H GLY 5 12.696 -0.762 3.433 36 HA2 GLY 5 2HA GLY 5 12.716 -1.620 6.198 37 HA3 GLY 5 3HA GLY 5 12.849 -2.927 5.031 38 H LYS 6 H LYS 6 14.929 -3.328 6.047 39 HA LYS 6 HA LYS 6 17.025 -1.725 4.775 40 HB2 LYS 6 2HB LYS 6 17.331 -2.659 7.620 41 HB3 LYS 6 3HB LYS 6 18.307 -1.489 6.742 42 HG2 LYS 6 2HG LYS 6 17.095 -0.060 8.014 43 HG3 LYS 6 3HG LYS 6 15.995 -0.197 6.641 44 HD2 LYS 6 2HD LYS 6 14.424 -1.218 7.869 45 HD3 LYS 6 3HD LYS 6 15.600 -2.280 8.646 46 HE2 LYS 6 2HE LYS 6 16.238 0.016 9.854 47 HE3 LYS 6 3HE LYS 6 14.543 0.351 9.506 48 HZ1 LYS 6 3HZ LYS 6 14.771 -0.656 11.669 49 HZ2 LYS 6 1HZ LYS 6 15.591 -1.983 11.014 50 HZ3 LYS 6 2HZ LYS 6 13.963 -1.724 10.636 51 H CYS 7 H CYS 7 19.015 -2.845 4.460 52 HA CYS 7 HA CYS 7 18.702 -5.772 4.521 53 HB2 CYS 7 2HB CYS 7 20.814 -4.713 2.791 54 HB3 CYS 7 3HB CYS 7 19.550 -5.887 2.436 55 H THR 8 H THR 8 21.271 -6.561 4.062 56 HA THR 8 HA THR 8 22.902 -5.375 6.186 57 HB THR 8 HB THR 8 22.956 -8.326 6.113 58 HG1 THR 8 HG1 THR 8 20.993 -8.627 6.949 59 HG21 THR 8 3HG2 THR 8 23.419 -8.113 8.399 60 HG22 THR 8 1HG2 THR 8 22.656 -6.527 8.500 61 HG23 THR 8 2HG2 THR 8 24.205 -6.710 7.677 62 H LYS 9 H LYS 9 24.936 -5.097 5.550 63 HA LYS 9 HA LYS 9 25.837 -5.822 2.988 64 HB2 LYS 9 2HB LYS 9 27.939 -4.878 3.614 65 HB3 LYS 9 3HB LYS 9 26.687 -3.909 4.378 66 HG2 LYS 9 2HG LYS 9 27.989 -4.130 6.190 67 HG3 LYS 9 3HG LYS 9 27.175 -5.689 6.340 68 HD2 LYS 9 2HD LYS 9 28.993 -6.812 5.251 69 HD3 LYS 9 3HD LYS 9 29.767 -5.275 4.856 70 HE2 LYS 9 2HE LYS 9 29.239 -6.176 7.679 71 HE3 LYS 9 3HE LYS 9 30.737 -6.533 6.820 72 HZ1 LYS 9 3HZ LYS 9 30.438 -4.388 8.317 73 HZ2 LYS 9 1HZ LYS 9 29.863 -3.751 6.859 74 HZ3 LYS 9 2HZ LYS 9 31.424 -4.396 6.943 75 H SER 10 H SER 10 25.663 -7.612 5.867 76 HA SER 10 HA SER 10 27.851 -9.267 5.854 77 HB2 SER 10 2HB SER 10 26.244 -9.479 7.612 78 HB3 SER 10 3HB SER 10 24.962 -9.900 6.476 79 HG SER 10 HG SER 10 26.749 -11.505 7.692 80 H LYS 11 H LYS 11 24.755 -10.077 4.274 81 HA LYS 11 HA LYS 11 26.264 -11.377 2.120 82 HB2 LYS 11 2HB LYS 11 24.705 -12.720 4.120 83 HB3 LYS 11 3HB LYS 11 23.933 -12.925 2.553 84 HG2 LYS 11 2HG LYS 11 26.007 -13.810 1.632 85 HG3 LYS 11 3HG LYS 11 26.804 -13.579 3.190 86 HD2 LYS 11 2HD LYS 11 25.629 -15.300 4.193 87 HD3 LYS 11 3HD LYS 11 24.303 -15.209 3.031 88 HE2 LYS 11 2HE LYS 11 26.708 -15.841 1.637 89 HE3 LYS 11 3HE LYS 11 26.548 -16.934 3.011 90 HZ1 LYS 11 3HZ LYS 11 24.044 -16.824 1.916 91 HZ2 LYS 11 1HZ LYS 11 25.157 -18.086 1.743 92 HZ3 LYS 11 2HZ LYS 11 25.070 -16.868 0.572 93 H ASN 12 H ASN 12 24.364 -8.958 2.741 94 HA ASN 12 HA ASN 12 22.893 -7.694 1.553 95 HB2 ASN 12 2HB ASN 12 23.968 -7.692 -0.449 96 HB3 ASN 12 3HB ASN 12 24.129 -9.445 -0.482 97 HD21 ASN 12 2HD2 ASN 12 20.858 -7.626 -2.104 98 HD22 ASN 12 1HD2 ASN 12 21.868 -6.796 -0.974 99 H GLU 13 H GLU 13 20.883 -7.848 2.307 100 HA GLU 13 HA GLU 13 18.967 -9.524 1.056 101 HB2 GLU 13 2HB GLU 13 20.310 -10.599 3.365 102 HB3 GLU 13 3HB GLU 13 18.607 -10.353 3.725 103 HG2 GLU 13 2HG GLU 13 17.953 -11.729 1.879 104 HG3 GLU 13 3HG GLU 13 19.621 -11.853 1.323 105 H CYS 14 H CYS 14 17.848 -7.613 0.780 106 HA CYS 14 HA CYS 14 17.298 -5.760 2.837 107 HB2 CYS 14 2HB CYS 14 17.152 -5.260 0.401 108 HB3 CYS 14 3HB CYS 14 15.703 -6.256 0.315 109 H LYS 15 H LYS 15 15.928 -5.865 4.482 110 HA LYS 15 HA LYS 15 14.096 -8.100 4.690 111 HB2 LYS 15 2HB LYS 15 15.177 -7.724 6.713 112 HB3 LYS 15 3HB LYS 15 15.079 -5.975 6.558 113 HG2 LYS 15 2HG LYS 15 13.084 -5.873 7.565 114 HG3 LYS 15 3HG LYS 15 12.482 -7.314 6.741 115 HD2 LYS 15 2HD LYS 15 12.570 -8.048 8.922 116 HD3 LYS 15 3HD LYS 15 14.152 -8.555 8.328 117 HE2 LYS 15 2HE LYS 15 13.517 -6.099 9.957 118 HE3 LYS 15 3HE LYS 15 14.419 -7.520 10.482 119 HZ1 LYS 15 3HZ LYS 15 15.247 -5.445 8.543 120 HZ2 LYS 15 1HZ LYS 15 16.022 -6.946 8.631 121 HZ3 LYS 15 2HZ LYS 15 16.022 -5.915 9.972 122 H TYR 16 H TYR 16 11.879 -7.987 4.790 123 HA TYR 16 HA TYR 16 10.395 -5.587 4.927 124 HB2 TYR 16 2HB TYR 16 9.729 -5.208 2.717 125 HB3 TYR 16 3HB TYR 16 11.454 -5.529 2.569 126 HD1 TYR 16 HD1 TYR 16 8.316 -6.265 1.235 127 HD2 TYR 16 HD2 TYR 16 12.026 -8.113 2.197 128 HE1 TYR 16 HE1 TYR 16 7.837 -8.056 -0.382 129 HE2 TYR 16 HE2 TYR 16 11.558 -9.908 0.582 130 HH TYR 16 HH TYR 16 9.544 -9.767 -1.793 131 H LYS 17 H LYS 17 8.083 -6.188 3.689 132 HA LYS 17 HA LYS 17 7.369 -8.856 4.719 133 HB2 LYS 17 2HB LYS 17 5.131 -7.874 5.270 134 HB3 LYS 17 3HB LYS 17 6.458 -7.240 6.235 135 HG2 LYS 17 2HG LYS 17 6.237 -5.557 3.998 136 HG3 LYS 17 3HG LYS 17 4.595 -5.843 4.577 137 HD2 LYS 17 2HD LYS 17 5.923 -5.421 6.913 138 HD3 LYS 17 3HD LYS 17 6.807 -4.359 5.815 139 HE2 LYS 17 2HE LYS 17 4.200 -3.859 5.144 140 HE3 LYS 17 3HE LYS 17 4.092 -4.132 6.883 141 HZ1 LYS 17 3HZ LYS 17 5.138 -1.890 5.475 142 HZ2 LYS 17 1HZ LYS 17 6.284 -2.518 6.550 143 HZ3 LYS 17 2HZ LYS 17 4.763 -2.045 7.117 144 H ASN 18 H ASN 18 5.915 -10.071 3.539 145 HA ASN 18 HA ASN 18 5.391 -9.082 0.819 146 HB2 ASN 18 2HB ASN 18 5.068 -11.563 0.314 147 HB3 ASN 18 3HB ASN 18 6.709 -11.045 0.690 148 HD21 ASN 18 2HD2 ASN 18 6.908 -12.791 3.735 149 HD22 ASN 18 1HD2 ASN 18 7.510 -11.446 2.832 150 H ASP 19 H ASP 19 3.914 -11.116 3.345 151 HA ASP 19 HA ASP 19 1.299 -10.863 2.147 152 HB2 ASP 19 2HB ASP 19 2.494 -12.381 4.394 153 HB3 ASP 19 3HB ASP 19 0.787 -11.977 4.551 154 H ALA 20 H ALA 20 2.951 -9.661 5.040 155 HA ALA 20 HA ALA 20 1.577 -7.222 5.092 156 HB1 ALA 20 1HB ALA 20 -0.045 -9.272 6.005 157 HB2 ALA 20 2HB ALA 20 0.565 -8.518 7.479 158 HB3 ALA 20 3HB ALA 20 -0.281 -7.545 6.276 159 H GLY 21 H GLY 21 2.911 -9.713 7.262 160 HA2 GLY 21 2HA GLY 21 4.804 -7.698 8.261 161 HA3 GLY 21 3HA GLY 21 3.840 -8.605 9.417 162 H LYS 22 H LYS 22 4.564 -10.476 6.723 163 HA LYS 22 HA LYS 22 6.203 -12.250 8.212 164 HB2 LYS 22 2HB LYS 22 5.147 -12.109 5.446 165 HB3 LYS 22 3HB LYS 22 6.590 -13.087 5.680 166 HG2 LYS 22 2HG LYS 22 5.105 -14.005 7.710 167 HG3 LYS 22 3HG LYS 22 3.822 -13.536 6.593 168 HD2 LYS 22 2HD LYS 22 6.050 -15.011 5.370 169 HD3 LYS 22 3HD LYS 22 5.112 -15.929 6.550 170 HE2 LYS 22 2HE LYS 22 3.084 -14.886 5.213 171 HE3 LYS 22 3HE LYS 22 4.287 -14.788 3.928 172 HZ1 LYS 22 3HZ LYS 22 4.647 -17.134 4.067 173 HZ2 LYS 22 1HZ LYS 22 2.983 -16.867 3.910 174 HZ3 LYS 22 2HZ LYS 22 3.636 -17.272 5.417 175 H ASP 23 H ASP 23 8.182 -11.638 8.832 176 HA ASP 23 HA ASP 23 9.833 -9.819 7.456 177 HB2 ASP 23 2HB ASP 23 10.909 -11.915 9.324 178 HB3 ASP 23 3HB ASP 23 11.456 -10.256 9.095 179 H THR 24 H THR 24 10.146 -10.377 5.331 180 HA THR 24 HA THR 24 11.663 -12.860 4.853 181 HB THR 24 HB THR 24 9.794 -11.427 2.956 182 HG1 THR 24 HG1 THR 24 8.696 -13.527 3.143 183 HG21 THR 24 3HG2 THR 24 11.245 -12.305 1.439 184 HG22 THR 24 1HG2 THR 24 10.298 -13.761 1.743 185 HG23 THR 24 2HG2 THR 24 11.845 -13.529 2.557 186 H PHE 25 H PHE 25 13.569 -12.727 3.790 187 HA PHE 25 HA PHE 25 14.603 -10.051 3.268 188 HB2 PHE 25 2HB PHE 25 16.131 -12.648 3.121 189 HB3 PHE 25 3HB PHE 25 16.780 -11.023 3.314 190 HD1 PHE 25 HD1 PHE 25 15.076 -9.937 5.433 191 HD2 PHE 25 HD2 PHE 25 16.804 -13.804 5.008 192 HE1 PHE 25 HE1 PHE 25 15.045 -10.216 7.878 193 HE2 PHE 25 HE2 PHE 25 16.775 -14.089 7.452 194 HZ PHE 25 HZ PHE 25 15.894 -12.294 8.890 195 H ILE 26 H ILE 26 15.323 -9.339 1.299 196 HA ILE 26 HA ILE 26 15.062 -11.149 -0.996 197 HB ILE 26 HB ILE 26 12.982 -9.903 -0.937 198 HG12 ILE 26 2HG1 ILE 26 13.104 -8.828 -3.159 199 HG13 ILE 26 3HG1 ILE 26 14.862 -8.866 -3.071 200 HG21 ILE 26 1HG2 ILE 26 12.817 -7.774 -0.309 201 HG22 ILE 26 2HG2 ILE 26 14.530 -7.850 0.102 202 HG23 ILE 26 3HG2 ILE 26 14.029 -7.262 -1.483 203 HD11 ILE 26 3HD1 ILE 26 13.366 -10.733 -4.295 204 HD12 ILE 26 1HD1 ILE 26 14.966 -11.038 -3.619 205 HD13 ILE 26 2HD1 ILE 26 13.523 -11.453 -2.693 206 H LYS 27 H LYS 27 16.829 -11.111 -2.205 207 HA LYS 27 HA LYS 27 19.051 -9.521 -1.715 208 HB2 LYS 27 2HB LYS 27 20.010 -10.452 -3.674 209 HB3 LYS 27 3HB LYS 27 18.954 -11.694 -3.014 210 HG2 LYS 27 2HG LYS 27 17.261 -10.428 -4.709 211 HG3 LYS 27 3HG LYS 27 18.799 -10.234 -5.552 212 HD2 LYS 27 2HD LYS 27 18.392 -12.286 -6.362 213 HD3 LYS 27 3HD LYS 27 18.904 -12.851 -4.770 214 HE2 LYS 27 2HE LYS 27 16.072 -12.039 -5.065 215 HE3 LYS 27 3HE LYS 27 16.563 -13.525 -5.875 216 HZ1 LYS 27 3HZ LYS 27 16.072 -13.077 -3.123 217 HZ2 LYS 27 1HZ LYS 27 17.654 -13.638 -3.342 218 HZ3 LYS 27 2HZ LYS 27 16.349 -14.537 -3.932 219 H CYS 28 H CYS 28 20.083 -8.245 -3.706 220 HA CYS 28 HA CYS 28 18.126 -6.160 -4.408 221 HB2 CYS 28 2HB CYS 28 20.223 -5.696 -2.904 222 HB3 CYS 28 3HB CYS 28 21.087 -5.695 -4.439 223 HA PRO 29 HA PRO 29 19.339 -8.162 -8.402 224 HB2 PRO 29 2HB PRO 29 16.835 -8.102 -9.450 225 HB3 PRO 29 3HB PRO 29 17.413 -9.415 -8.417 226 HG2 PRO 29 2HG PRO 29 15.716 -7.053 -7.707 227 HG3 PRO 29 3HG PRO 29 15.538 -8.747 -7.214 228 HD2 PRO 29 2HD PRO 29 16.638 -6.868 -5.604 229 HD3 PRO 29 3HD PRO 29 17.147 -8.568 -5.573 230 H LYS 30 H LYS 30 17.741 -5.241 -7.465 231 HA LYS 30 HA LYS 30 17.312 -3.945 -9.861 232 HB2 LYS 30 2HB LYS 30 17.425 -3.229 -7.130 233 HB3 LYS 30 3HB LYS 30 18.461 -2.095 -7.985 234 HG2 LYS 30 2HG LYS 30 16.300 -2.102 -9.603 235 HG3 LYS 30 3HG LYS 30 15.541 -2.402 -8.038 236 HD2 LYS 30 2HD LYS 30 16.815 -0.430 -7.151 237 HD3 LYS 30 3HD LYS 30 17.311 -0.087 -8.810 238 HE2 LYS 30 2HE LYS 30 14.612 -0.376 -9.078 239 HE3 LYS 30 3HE LYS 30 14.737 0.351 -7.476 240 HZ1 LYS 30 3HZ LYS 30 16.219 2.055 -8.549 241 HZ2 LYS 30 1HZ LYS 30 14.589 2.118 -8.998 242 HZ3 LYS 30 2HZ LYS 30 15.729 1.438 -10.046 243 H PHE 31 H PHE 31 20.240 -3.544 -7.858 244 HA PHE 31 HA PHE 31 21.709 -2.844 -10.307 245 HB2 PHE 31 2HB PHE 31 22.955 -2.378 -7.658 246 HB3 PHE 31 3HB PHE 31 22.967 -1.371 -9.102 247 HD1 PHE 31 HD1 PHE 31 21.077 -2.287 -6.092 248 HD2 PHE 31 HD2 PHE 31 21.303 0.305 -9.460 249 HE1 PHE 31 HE1 PHE 31 19.367 -0.834 -5.084 250 HE2 PHE 31 HE2 PHE 31 19.594 1.763 -8.457 251 HZ PHE 31 HZ PHE 31 18.624 1.195 -6.266 252 H ASP 32 H ASP 32 24.038 -3.502 -10.322 253 HA ASP 32 HA ASP 32 24.303 -6.236 -9.258 254 HB2 ASP 32 2HB ASP 32 24.763 -5.108 -11.892 255 HB3 ASP 32 3HB ASP 32 26.201 -5.922 -11.282 256 H ASN 33 H ASN 33 25.767 -3.096 -9.506 257 HA ASN 33 HA ASN 33 27.978 -4.037 -7.802 258 HB2 ASN 33 2HB ASN 33 28.128 -2.773 -10.354 259 HB3 ASN 33 3HB ASN 33 28.743 -1.644 -9.150 260 HD21 ASN 33 2HD2 ASN 33 31.301 -4.021 -8.085 261 HD22 ASN 33 1HD2 ASN 33 30.016 -3.117 -7.367 262 H LYS 34 H LYS 34 25.253 -2.716 -7.361 263 HA LYS 34 HA LYS 34 26.248 -0.679 -5.502 264 HB2 LYS 34 2HB LYS 34 23.761 -0.236 -7.149 265 HB3 LYS 34 3HB LYS 34 24.596 0.920 -6.118 266 HG2 LYS 34 2HG LYS 34 25.752 -0.257 -8.636 267 HG3 LYS 34 3HG LYS 34 24.935 1.304 -8.540 268 HD2 LYS 34 2HD LYS 34 27.048 0.950 -6.548 269 HD3 LYS 34 3HD LYS 34 27.624 0.896 -8.216 270 HE2 LYS 34 2HE LYS 34 26.190 3.025 -8.528 271 HE3 LYS 34 3HE LYS 34 26.225 3.115 -6.768 272 HZ1 LYS 34 3HZ LYS 34 28.514 3.237 -8.642 273 HZ2 LYS 34 1HZ LYS 34 28.716 2.959 -6.985 274 HZ3 LYS 34 2HZ LYS 34 28.018 4.404 -7.522 275 H LYS 35 H LYS 35 24.895 -3.515 -5.677 276 HA LYS 35 HA LYS 35 22.421 -3.463 -4.434 277 HB2 LYS 35 2HB LYS 35 23.000 -5.726 -3.577 278 HB3 LYS 35 3HB LYS 35 23.329 -5.523 -5.293 279 HG2 LYS 35 2HG LYS 35 25.723 -4.837 -4.232 280 HG3 LYS 35 3HG LYS 35 25.164 -6.036 -3.063 281 HD2 LYS 35 2HD LYS 35 24.772 -6.783 -5.876 282 HD3 LYS 35 3HD LYS 35 26.459 -6.619 -5.383 283 HE2 LYS 35 2HE LYS 35 26.129 -8.193 -3.585 284 HE3 LYS 35 3HE LYS 35 24.402 -8.278 -3.929 285 HZ1 LYS 35 3HZ LYS 35 26.223 -8.924 -6.114 286 HZ2 LYS 35 1HZ LYS 35 24.728 -9.607 -5.713 287 HZ3 LYS 35 2HZ LYS 35 26.116 -10.047 -4.853 288 H CYS 36 H CYS 36 21.958 -4.168 -2.149 289 HA CYS 36 HA CYS 36 22.731 -2.251 -0.326 290 HB2 CYS 36 2HB CYS 36 21.529 -4.976 -0.062 291 HB3 CYS 36 3HB CYS 36 22.047 -4.133 1.395 292 H THR 37 H THR 37 24.774 -1.814 0.213 293 HA THR 37 HA THR 37 26.495 -4.059 1.046 294 HB THR 37 HB THR 37 28.408 -2.422 0.507 295 HG1 THR 37 HG1 THR 37 27.400 -0.529 0.076 296 HG21 THR 37 3HG2 THR 37 26.957 -3.245 -1.973 297 HG22 THR 37 1HG2 THR 37 27.505 -4.479 -0.839 298 HG23 THR 37 2HG2 THR 37 28.670 -3.381 -1.578 299 H LYS 38 H LYS 38 24.633 -2.572 2.707 300 HA LYS 38 HA LYS 38 26.539 -1.678 4.730 301 HB2 LYS 38 2HB LYS 38 24.925 0.118 3.230 302 HB3 LYS 38 3HB LYS 38 24.275 0.062 4.863 303 HG2 LYS 38 2HG LYS 38 27.207 0.335 4.607 304 HG3 LYS 38 3HG LYS 38 26.224 1.722 4.130 305 HD2 LYS 38 2HD LYS 38 25.419 2.054 6.257 306 HD3 LYS 38 3HD LYS 38 25.637 0.364 6.718 307 HE2 LYS 38 2HE LYS 38 27.258 1.643 7.905 308 HE3 LYS 38 3HE LYS 38 28.109 0.756 6.641 309 HZ1 LYS 38 3HZ LYS 38 27.956 2.820 5.274 310 HZ2 LYS 38 1HZ LYS 38 28.935 2.961 6.647 311 HZ3 LYS 38 2HZ LYS 38 27.382 3.631 6.644 312 H ASP 39 H ASP 39 25.657 -1.658 6.887 313 HA ASP 39 HA ASP 39 23.625 -3.711 7.226 314 HB2 ASP 39 2HB ASP 39 24.263 -3.486 9.668 315 HB3 ASP 39 3HB ASP 39 25.551 -4.016 8.590 316 H ASN 40 H ASN 40 21.559 -3.248 7.536 317 HA ASN 40 HA ASN 40 19.641 -2.179 8.129 318 HB2 ASN 40 2HB ASN 40 21.264 -0.335 9.872 319 HB3 ASN 40 3HB ASN 40 19.605 -0.881 10.101 320 HD21 ASN 40 2HD2 ASN 40 20.447 -3.761 11.834 321 HD22 ASN 40 1HD2 ASN 40 19.214 -2.785 11.117 322 H ASN 41 H ASN 41 20.927 -1.359 5.795 323 HA ASN 41 HA ASN 41 21.028 1.509 5.675 324 HB2 ASN 41 2HB ASN 41 21.367 1.178 3.261 325 HB3 ASN 41 3HB ASN 41 22.440 0.149 4.205 326 HD21 ASN 41 2HD2 ASN 41 21.247 -2.822 2.904 327 HD22 ASN 41 1HD2 ASN 41 22.349 -2.004 3.954 328 H LYS 42 H LYS 42 19.762 2.185 3.367 329 HA LYS 42 HA LYS 42 16.934 1.853 4.100 330 HB2 LYS 42 2HB LYS 42 18.110 4.164 3.985 331 HB3 LYS 42 3HB LYS 42 17.977 3.971 2.242 332 HG2 LYS 42 2HG LYS 42 15.816 4.499 2.247 333 HG3 LYS 42 3HG LYS 42 15.473 3.439 3.616 334 HD2 LYS 42 2HD LYS 42 14.963 5.634 4.338 335 HD3 LYS 42 3HD LYS 42 16.507 5.220 5.086 336 HE2 LYS 42 2HE LYS 42 17.707 6.627 3.684 337 HE3 LYS 42 3HE LYS 42 16.439 6.651 2.460 338 HZ1 LYS 42 3HZ LYS 42 15.293 8.258 3.544 339 HZ2 LYS 42 1HZ LYS 42 16.839 8.659 4.102 340 HZ3 LYS 42 2HZ LYS 42 15.793 7.761 5.082 341 H CYS 43 H CYS 43 15.926 0.362 2.928 342 HA CYS 43 HA CYS 43 16.190 0.445 0.019 343 HB2 CYS 43 2HB CYS 43 16.442 -1.974 -0.154 344 HB3 CYS 43 3HB CYS 43 17.764 -1.294 0.789 345 H THR 44 H THR 44 14.302 0.154 -1.020 346 HA THR 44 HA THR 44 11.988 -0.704 0.593 347 HB THR 44 HB THR 44 10.633 0.690 -1.061 348 HG1 THR 44 HG1 THR 44 13.197 1.849 -1.527 349 HG21 THR 44 3HG2 THR 44 10.536 2.184 0.593 350 HG22 THR 44 1HG2 THR 44 12.179 2.736 0.268 351 HG23 THR 44 2HG2 THR 44 11.907 1.358 1.334 352 H VAL 45 H VAL 45 11.060 -2.527 -0.048 353 HA VAL 45 HA VAL 45 11.738 -3.665 -2.635 354 HB VAL 45 HB VAL 45 10.086 -4.812 -0.380 355 HG11 VAL 45 1HG1 VAL 45 9.365 -6.066 -2.148 356 HG12 VAL 45 2HG1 VAL 45 10.854 -5.830 -3.066 357 HG13 VAL 45 3HG1 VAL 45 10.819 -6.967 -1.717 358 HG21 VAL 45 3HG2 VAL 45 12.531 -4.370 0.075 359 HG22 VAL 45 1HG2 VAL 45 12.005 -6.042 0.265 360 HG23 VAL 45 2HG2 VAL 45 12.892 -5.555 -1.180 361 H ASP 46 H ASP 46 10.284 -4.169 -4.251 362 HA ASP 46 HA ASP 46 7.635 -2.900 -4.010 363 HB2 ASP 46 2HB ASP 46 9.700 -2.590 -5.977 364 HB3 ASP 46 3HB ASP 46 8.272 -3.280 -6.744 365 H THR 47 H THR 47 6.034 -4.312 -3.880 366 HA THR 47 HA THR 47 6.401 -7.030 -4.870 367 HB THR 47 HB THR 47 5.481 -6.753 -2.615 368 HG1 THR 47 HG1 THR 47 4.777 -8.504 -4.084 369 HG21 THR 47 3HG2 THR 47 3.272 -5.811 -2.257 370 HG22 THR 47 1HG2 THR 47 3.120 -5.451 -3.976 371 HG23 THR 47 2HG2 THR 47 4.323 -4.606 -3.002 372 H TYR 48 H TYR 48 6.209 -5.089 -6.884 373 HA TYR 48 HA TYR 48 3.573 -5.715 -8.047 374 HB2 TYR 48 2HB TYR 48 3.931 -3.289 -7.516 375 HB3 TYR 48 3HB TYR 48 5.263 -3.285 -8.666 376 HD1 TYR 48 HD1 TYR 48 4.707 -2.212 -10.623 377 HD2 TYR 48 HD2 TYR 48 1.764 -4.614 -8.708 378 HE1 TYR 48 HE1 TYR 48 3.133 -1.729 -12.450 379 HE2 TYR 48 HE2 TYR 48 0.182 -4.139 -10.530 380 HH TYR 48 HH TYR 48 0.689 -1.696 -12.814 381 H ASN 49 H ASN 49 7.027 -5.465 -8.549 382 HA ASN 49 HA ASN 49 6.817 -7.243 -10.835 383 HB2 ASN 49 2HB ASN 49 8.009 -5.860 -12.370 384 HB3 ASN 49 3HB ASN 49 6.703 -4.874 -11.719 385 HD21 ASN 49 2HD2 ASN 49 8.981 -2.969 -9.635 386 HD22 ASN 49 1HD2 ASN 49 7.509 -3.859 -9.477 387 H ASN 50 H ASN 50 7.970 -7.018 -8.013 388 HA ASN 50 HA ASN 50 9.790 -7.763 -6.871 389 HB2 ASN 50 2HB ASN 50 10.037 -9.159 -9.509 390 HB3 ASN 50 3HB ASN 50 11.346 -9.298 -8.339 391 HD21 ASN 50 2HD2 ASN 50 9.755 -11.695 -6.451 392 HD22 ASN 50 1HD2 ASN 50 11.193 -10.832 -6.866 393 H ALA 51 H ALA 51 10.874 -5.898 -6.410 394 HA ALA 51 HA ALA 51 13.436 -5.524 -7.505 395 HB1 ALA 51 1HB ALA 51 12.814 -4.449 -9.391 396 HB2 ALA 51 2HB ALA 51 11.258 -3.951 -8.727 397 HB3 ALA 51 3HB ALA 51 12.722 -3.063 -8.304 398 H VAL 52 H VAL 52 14.668 -4.443 -6.076 399 HA VAL 52 HA VAL 52 13.279 -2.936 -3.956 400 HB VAL 52 HB VAL 52 14.447 -5.099 -3.296 401 HG11 VAL 52 1HG1 VAL 52 16.432 -4.763 -4.726 402 HG12 VAL 52 2HG1 VAL 52 16.918 -3.416 -3.695 403 HG13 VAL 52 3HG1 VAL 52 16.848 -5.051 -3.036 404 HG21 VAL 52 3HG2 VAL 52 15.829 -3.236 -1.608 405 HG22 VAL 52 1HG2 VAL 52 14.227 -2.616 -2.006 406 HG23 VAL 52 2HG2 VAL 52 14.398 -4.206 -1.261 407 H ASP 53 H ASP 53 14.258 -1.049 -3.152 408 HA ASP 53 HA ASP 53 16.185 0.171 -5.011 409 HB2 ASP 53 2HB ASP 53 13.856 1.222 -3.497 410 HB3 ASP 53 3HB ASP 53 15.243 2.295 -3.662 411 H CYS 54 H CYS 54 17.788 -1.107 -3.698 412 HA CYS 54 HA CYS 54 18.364 -0.653 -1.030 413 HB2 CYS 54 2HB CYS 54 20.254 -1.184 -3.331 414 HB3 CYS 54 3HB CYS 54 20.722 -1.251 -1.635 415 H ASP 55 H ASP 55 20.320 0.539 -0.184 416 HA ASP 55 HA ASP 55 19.986 3.279 -0.439 417 HB2 ASP 55 2HB ASP 55 21.325 1.765 1.298 418 HB3 ASP 55 3HB ASP 55 22.688 2.267 0.302 Start of MODEL 17 1 H1 ALA 1 H ALA 1 1.935 1.874 -3.756 2 HA ALA 1 HA ALA 1 2.459 1.210 -1.610 3 HB1 ALA 1 1HB ALA 1 0.615 -0.073 -1.520 4 HB2 ALA 1 2HB ALA 1 1.000 -0.916 -3.021 5 HB3 ALA 1 3HB ALA 1 1.772 -1.405 -1.513 6 H LYS 2 H LYS 2 4.755 1.464 -1.741 7 HA LYS 2 HA LYS 2 6.281 -1.007 -2.160 8 HB2 LYS 2 2HB LYS 2 6.754 1.642 -2.919 9 HB3 LYS 2 3HB LYS 2 7.878 1.347 -1.600 10 HG2 LYS 2 2HG LYS 2 8.395 -0.845 -2.935 11 HG3 LYS 2 3HG LYS 2 7.729 0.074 -4.286 12 HD2 LYS 2 2HD LYS 2 9.942 1.068 -2.495 13 HD3 LYS 2 3HD LYS 2 10.210 0.250 -4.036 14 HE2 LYS 2 2HE LYS 2 8.375 2.220 -4.653 15 HE3 LYS 2 3HE LYS 2 9.444 3.002 -3.490 16 HZ1 LYS 2 3HZ LYS 2 10.800 3.331 -5.203 17 HZ2 LYS 2 1HZ LYS 2 9.944 2.272 -6.208 18 HZ3 LYS 2 2HZ LYS 2 11.135 1.673 -5.167 19 H TYR 3 H TYR 3 7.415 -1.977 -0.557 20 HA TYR 3 HA TYR 3 6.836 -1.134 2.157 21 HB2 TYR 3 2HB TYR 3 8.248 -3.565 1.046 22 HB3 TYR 3 3HB TYR 3 7.995 -3.276 2.764 23 HD1 TYR 3 HD1 TYR 3 6.699 -4.849 -0.088 24 HD2 TYR 3 HD2 TYR 3 5.476 -2.792 3.430 25 HE1 TYR 3 HE1 TYR 3 4.487 -5.914 -0.242 26 HE2 TYR 3 HE2 TYR 3 3.261 -3.852 3.286 27 HH TYR 3 HH TYR 3 2.576 -6.369 0.951 28 H THR 4 H THR 4 8.251 -0.292 3.585 29 HA THR 4 HA THR 4 10.939 0.340 2.577 30 HB THR 4 HB THR 4 9.623 1.642 4.954 31 HG1 THR 4 HG1 THR 4 8.614 3.024 3.627 32 HG21 THR 4 3HG2 THR 4 12.098 1.880 4.531 33 HG22 THR 4 1HG2 THR 4 11.197 3.394 4.595 34 HG23 THR 4 2HG2 THR 4 11.685 2.723 3.038 35 H GLY 5 H GLY 5 12.703 -0.473 3.532 36 HA2 GLY 5 2HA GLY 5 12.692 -1.286 6.302 37 HA3 GLY 5 3HA GLY 5 12.769 -2.630 5.172 38 H LYS 6 H LYS 6 14.836 -3.095 6.172 39 HA LYS 6 HA LYS 6 16.986 -1.523 4.931 40 HB2 LYS 6 2HB LYS 6 17.264 -2.694 7.690 41 HB3 LYS 6 3HB LYS 6 18.302 -1.518 6.894 42 HG2 LYS 6 2HG LYS 6 17.188 -0.100 8.251 43 HG3 LYS 6 3HG LYS 6 16.037 -0.114 6.913 44 HD2 LYS 6 2HD LYS 6 14.513 -0.696 8.444 45 HD3 LYS 6 3HD LYS 6 15.268 -2.291 8.407 46 HE2 LYS 6 2HE LYS 6 16.252 -2.015 10.421 47 HE3 LYS 6 3HE LYS 6 16.570 -0.303 10.148 48 HZ1 LYS 6 3HZ LYS 6 14.549 -1.438 11.688 49 HZ2 LYS 6 1HZ LYS 6 13.795 -0.704 10.363 50 HZ3 LYS 6 2HZ LYS 6 14.811 0.202 11.367 51 H CYS 7 H CYS 7 19.082 -2.751 4.903 52 HA CYS 7 HA CYS 7 18.580 -5.636 4.570 53 HB2 CYS 7 2HB CYS 7 20.775 -4.478 2.986 54 HB3 CYS 7 3HB CYS 7 19.542 -5.645 2.521 55 H THR 8 H THR 8 21.105 -6.529 4.128 56 HA THR 8 HA THR 8 22.684 -5.626 6.437 57 HB THR 8 HB THR 8 22.830 -8.515 5.979 58 HG1 THR 8 HG1 THR 8 20.802 -9.018 6.602 59 HG21 THR 8 3HG2 THR 8 22.594 -8.518 8.455 60 HG22 THR 8 1HG2 THR 8 22.374 -6.770 8.400 61 HG23 THR 8 2HG2 THR 8 23.900 -7.483 7.878 62 H LYS 9 H LYS 9 24.697 -5.170 5.864 63 HA LYS 9 HA LYS 9 25.752 -5.411 3.331 64 HB2 LYS 9 2HB LYS 9 27.915 -4.918 4.305 65 HB3 LYS 9 3HB LYS 9 26.677 -3.968 5.116 66 HG2 LYS 9 2HG LYS 9 27.658 -4.680 6.990 67 HG3 LYS 9 3HG LYS 9 26.775 -6.180 6.693 68 HD2 LYS 9 2HD LYS 9 29.040 -6.777 7.105 69 HD3 LYS 9 3HD LYS 9 28.766 -6.967 5.372 70 HE2 LYS 9 2HE LYS 9 30.571 -5.696 5.070 71 HE3 LYS 9 3HE LYS 9 29.596 -4.339 5.633 72 HZ1 LYS 9 3HZ LYS 9 31.136 -4.152 7.214 73 HZ2 LYS 9 1HZ LYS 9 31.769 -5.696 6.933 74 HZ3 LYS 9 2HZ LYS 9 30.418 -5.504 7.933 75 H SER 10 H SER 10 25.471 -7.820 5.774 76 HA SER 10 HA SER 10 27.540 -9.559 4.961 77 HB2 SER 10 2HB SER 10 26.680 -10.054 7.072 78 HB3 SER 10 3HB SER 10 25.007 -9.905 6.534 79 HG SER 10 HG SER 10 26.764 -12.055 6.331 80 H LYS 11 H LYS 11 27.474 -9.622 2.686 81 HA LYS 11 HA LYS 11 27.005 -10.613 0.692 82 HB2 LYS 11 2HB LYS 11 26.500 -12.566 2.460 83 HB3 LYS 11 3HB LYS 11 24.878 -12.358 1.813 84 HG2 LYS 11 2HG LYS 11 25.762 -14.012 0.468 85 HG3 LYS 11 3HG LYS 11 26.020 -12.554 -0.493 86 HD2 LYS 11 2HD LYS 11 28.259 -12.704 -0.339 87 HD3 LYS 11 3HD LYS 11 28.207 -13.201 1.353 88 HE2 LYS 11 2HE LYS 11 27.126 -15.291 -0.262 89 HE3 LYS 11 3HE LYS 11 28.679 -14.797 -0.935 90 HZ1 LYS 11 3HZ LYS 11 28.173 -15.628 1.871 91 HZ2 LYS 11 1HZ LYS 11 29.661 -15.091 1.272 92 HZ3 LYS 11 2HZ LYS 11 28.986 -16.529 0.693 93 H ASN 12 H ASN 12 25.115 -8.595 2.229 94 HA ASN 12 HA ASN 12 23.359 -7.273 1.642 95 HB2 ASN 12 2HB ASN 12 23.687 -6.719 -0.503 96 HB3 ASN 12 3HB ASN 12 24.379 -8.299 -0.860 97 HD21 ASN 12 2HD2 ASN 12 20.584 -7.390 -1.900 98 HD22 ASN 12 1HD2 ASN 12 21.578 -6.306 -0.992 99 H GLU 13 H GLU 13 21.212 -7.380 2.027 100 HA GLU 13 HA GLU 13 19.462 -9.369 1.126 101 HB2 GLU 13 2HB GLU 13 21.074 -10.447 3.022 102 HB3 GLU 13 3HB GLU 13 19.768 -9.834 4.027 103 HG2 GLU 13 2HG GLU 13 18.183 -11.060 2.489 104 HG3 GLU 13 3HG GLU 13 19.606 -11.845 1.805 105 H CYS 14 H CYS 14 18.119 -7.619 0.806 106 HA CYS 14 HA CYS 14 17.444 -5.817 2.939 107 HB2 CYS 14 2HB CYS 14 17.474 -5.238 0.469 108 HB3 CYS 14 3HB CYS 14 15.981 -6.158 0.321 109 H LYS 15 H LYS 15 15.921 -6.069 4.430 110 HA LYS 15 HA LYS 15 14.015 -8.282 4.119 111 HB2 LYS 15 2HB LYS 15 15.323 -8.515 6.103 112 HB3 LYS 15 3HB LYS 15 15.057 -6.835 6.552 113 HG2 LYS 15 2HG LYS 15 12.637 -8.492 6.266 114 HG3 LYS 15 3HG LYS 15 13.707 -8.895 7.612 115 HD2 LYS 15 2HD LYS 15 12.680 -6.117 7.045 116 HD3 LYS 15 3HD LYS 15 11.912 -7.243 8.167 117 HE2 LYS 15 2HE LYS 15 14.233 -7.383 9.273 118 HE3 LYS 15 3HE LYS 15 14.596 -5.916 8.364 119 HZ1 LYS 15 3HZ LYS 15 12.514 -6.297 10.437 120 HZ2 LYS 15 1HZ LYS 15 12.539 -4.956 9.404 121 HZ3 LYS 15 2HZ LYS 15 13.827 -5.231 10.465 122 H TYR 16 H TYR 16 11.819 -7.988 4.402 123 HA TYR 16 HA TYR 16 10.733 -5.418 5.116 124 HB2 TYR 16 2HB TYR 16 9.699 -4.870 3.047 125 HB3 TYR 16 3HB TYR 16 11.386 -5.210 2.674 126 HD1 TYR 16 HD1 TYR 16 11.780 -7.853 2.161 127 HD2 TYR 16 HD2 TYR 16 8.160 -5.701 1.555 128 HE1 TYR 16 HE1 TYR 16 11.081 -9.513 0.487 129 HE2 TYR 16 HE2 TYR 16 7.450 -7.357 -0.119 130 HH TYR 16 HH TYR 16 8.447 -10.224 -0.411 131 H LYS 17 H LYS 17 8.194 -5.643 4.159 132 HA LYS 17 HA LYS 17 7.273 -8.217 5.261 133 HB2 LYS 17 2HB LYS 17 5.237 -6.948 6.020 134 HB3 LYS 17 3HB LYS 17 6.727 -6.528 6.854 135 HG2 LYS 17 2HG LYS 17 6.926 -4.595 5.228 136 HG3 LYS 17 3HG LYS 17 5.261 -4.952 4.762 137 HD2 LYS 17 2HD LYS 17 4.946 -4.888 7.413 138 HD3 LYS 17 3HD LYS 17 6.333 -3.804 7.277 139 HE2 LYS 17 2HE LYS 17 5.158 -2.247 6.037 140 HE3 LYS 17 3HE LYS 17 3.978 -3.430 5.477 141 HZ1 LYS 17 3HZ LYS 17 3.039 -1.899 7.109 142 HZ2 LYS 17 1HZ LYS 17 4.179 -2.398 8.255 143 HZ3 LYS 17 2HZ LYS 17 3.022 -3.491 7.682 144 H ASN 18 H ASN 18 6.325 -9.437 3.779 145 HA ASN 18 HA ASN 18 4.863 -8.111 1.590 146 HB2 ASN 18 2HB ASN 18 5.616 -9.691 0.072 147 HB3 ASN 18 3HB ASN 18 7.019 -9.532 1.125 148 HD21 ASN 18 2HD2 ASN 18 6.507 -12.703 2.697 149 HD22 ASN 18 1HD2 ASN 18 6.952 -11.072 3.053 150 H ASP 19 H ASP 19 3.249 -9.753 0.555 151 HA ASP 19 HA ASP 19 1.359 -11.014 0.736 152 HB2 ASP 19 2HB ASP 19 3.150 -12.170 2.645 153 HB3 ASP 19 3HB ASP 19 1.527 -12.157 3.329 154 H ALA 20 H ALA 20 1.914 -10.260 4.167 155 HA ALA 20 HA ALA 20 0.011 -8.128 4.208 156 HB1 ALA 20 1HB ALA 20 -0.824 -10.734 5.476 157 HB2 ALA 20 2HB ALA 20 -1.687 -9.200 5.586 158 HB3 ALA 20 3HB ALA 20 -1.535 -10.017 4.030 159 H GLY 21 H GLY 21 2.750 -8.832 5.102 160 HA2 GLY 21 2HA GLY 21 3.586 -7.456 7.013 161 HA3 GLY 21 3HA GLY 21 2.404 -8.313 7.991 162 H LYS 22 H LYS 22 3.641 -10.426 5.748 163 HA LYS 22 HA LYS 22 5.088 -11.887 7.734 164 HB2 LYS 22 2HB LYS 22 4.310 -12.294 4.902 165 HB3 LYS 22 3HB LYS 22 5.728 -13.174 5.457 166 HG2 LYS 22 2HG LYS 22 3.227 -13.260 7.077 167 HG3 LYS 22 3HG LYS 22 3.359 -14.245 5.618 168 HD2 LYS 22 2HD LYS 22 5.019 -15.565 6.496 169 HD3 LYS 22 3HD LYS 22 5.596 -14.301 7.585 170 HE2 LYS 22 2HE LYS 22 4.421 -15.208 9.235 171 HE3 LYS 22 3HE LYS 22 2.937 -14.906 8.331 172 HZ1 LYS 22 3HZ LYS 22 3.277 -17.046 7.203 173 HZ2 LYS 22 1HZ LYS 22 3.101 -17.226 8.876 174 HZ3 LYS 22 2HZ LYS 22 4.634 -17.338 8.170 175 H ASP 23 H ASP 23 7.184 -11.812 8.211 176 HA ASP 23 HA ASP 23 8.899 -9.918 6.934 177 HB2 ASP 23 2HB ASP 23 9.887 -12.047 8.806 178 HB3 ASP 23 3HB ASP 23 10.445 -10.387 8.622 179 H THR 24 H THR 24 9.953 -10.231 5.100 180 HA THR 24 HA THR 24 11.134 -12.857 4.557 181 HB THR 24 HB THR 24 9.469 -11.310 2.561 182 HG1 THR 24 HG1 THR 24 8.203 -12.554 3.973 183 HG21 THR 24 3HG2 THR 24 11.104 -13.828 2.243 184 HG22 THR 24 1HG2 THR 24 11.373 -12.283 1.439 185 HG23 THR 24 2HG2 THR 24 9.939 -13.236 1.060 186 H PHE 25 H PHE 25 13.066 -12.804 3.475 187 HA PHE 25 HA PHE 25 14.274 -10.159 3.180 188 HB2 PHE 25 2HB PHE 25 15.701 -12.803 2.942 189 HB3 PHE 25 3HB PHE 25 16.384 -11.226 3.325 190 HD1 PHE 25 HD1 PHE 25 16.313 -14.096 4.778 191 HD2 PHE 25 HD2 PHE 25 14.455 -10.317 5.394 192 HE1 PHE 25 HE1 PHE 25 16.102 -14.595 7.178 193 HE2 PHE 25 HE2 PHE 25 14.242 -10.809 7.795 194 HZ PHE 25 HZ PHE 25 15.067 -12.950 8.690 195 H ILE 26 H ILE 26 15.737 -9.791 1.325 196 HA ILE 26 HA ILE 26 15.525 -11.343 -1.041 197 HB ILE 26 HB ILE 26 13.274 -10.443 -1.144 198 HG12 ILE 26 2HG1 ILE 26 13.394 -9.339 -3.342 199 HG13 ILE 26 3HG1 ILE 26 15.116 -9.056 -3.105 200 HG21 ILE 26 1HG2 ILE 26 14.460 -8.146 -0.036 201 HG22 ILE 26 2HG2 ILE 26 13.819 -7.674 -1.609 202 HG23 ILE 26 3HG2 ILE 26 12.758 -8.413 -0.411 203 HD11 ILE 26 3HD1 ILE 26 15.624 -11.078 -3.847 204 HD12 ILE 26 1HD1 ILE 26 14.453 -11.844 -2.773 205 HD13 ILE 26 2HD1 ILE 26 13.939 -11.231 -4.346 206 H LYS 27 H LYS 27 17.361 -10.999 -2.088 207 HA LYS 27 HA LYS 27 19.196 -8.996 -1.395 208 HB2 LYS 27 2HB LYS 27 19.122 -10.519 -4.003 209 HB3 LYS 27 3HB LYS 27 20.527 -9.779 -3.247 210 HG2 LYS 27 2HG LYS 27 20.959 -11.734 -2.306 211 HG3 LYS 27 3HG LYS 27 19.502 -11.530 -1.331 212 HD2 LYS 27 2HD LYS 27 19.172 -13.596 -2.348 213 HD3 LYS 27 3HD LYS 27 18.269 -12.492 -3.388 214 HE2 LYS 27 2HE LYS 27 20.111 -12.425 -4.962 215 HE3 LYS 27 3HE LYS 27 21.088 -13.438 -3.900 216 HZ1 LYS 27 3HZ LYS 27 20.268 -15.146 -5.035 217 HZ2 LYS 27 1HZ LYS 27 19.091 -14.197 -5.795 218 HZ3 LYS 27 2HZ LYS 27 18.786 -14.860 -4.270 219 H CYS 28 H CYS 28 20.201 -7.918 -3.700 220 HA CYS 28 HA CYS 28 18.063 -6.048 -4.469 221 HB2 CYS 28 2HB CYS 28 20.061 -5.130 -3.249 222 HB3 CYS 28 3HB CYS 28 21.048 -5.598 -4.629 223 HA PRO 29 HA PRO 29 18.781 -8.373 -8.349 224 HB2 PRO 29 2HB PRO 29 16.245 -8.038 -9.257 225 HB3 PRO 29 3HB PRO 29 16.701 -9.324 -8.134 226 HG2 PRO 29 2HG PRO 29 15.408 -6.685 -7.567 227 HG3 PRO 29 3HG PRO 29 15.027 -8.283 -6.900 228 HD2 PRO 29 2HD PRO 29 16.490 -6.450 -5.547 229 HD3 PRO 29 3HD PRO 29 16.755 -8.197 -5.377 230 H LYS 30 H LYS 30 17.714 -5.173 -7.608 231 HA LYS 30 HA LYS 30 17.352 -4.087 -10.149 232 HB2 LYS 30 2HB LYS 30 17.716 -3.106 -7.460 233 HB3 LYS 30 3HB LYS 30 18.606 -2.102 -8.597 234 HG2 LYS 30 2HG LYS 30 15.700 -2.809 -8.919 235 HG3 LYS 30 3HG LYS 30 16.277 -1.347 -8.116 236 HD2 LYS 30 2HD LYS 30 17.147 -0.461 -10.089 237 HD3 LYS 30 3HD LYS 30 17.178 -2.033 -10.892 238 HE2 LYS 30 2HE LYS 30 14.682 -2.025 -10.829 239 HE3 LYS 30 3HE LYS 30 14.753 -0.374 -10.214 240 HZ1 LYS 30 3HZ LYS 30 16.261 -0.901 -12.643 241 HZ2 LYS 30 1HZ LYS 30 15.323 0.442 -12.218 242 HZ3 LYS 30 2HZ LYS 30 14.577 -0.963 -12.793 243 H PHE 31 H PHE 31 20.278 -3.623 -8.162 244 HA PHE 31 HA PHE 31 21.841 -3.591 -10.659 245 HB2 PHE 31 2HB PHE 31 23.040 -2.418 -8.225 246 HB3 PHE 31 3HB PHE 31 23.076 -1.844 -9.889 247 HD1 PHE 31 HD1 PHE 31 21.058 -1.960 -6.806 248 HD2 PHE 31 HD2 PHE 31 21.534 -0.229 -10.665 249 HE1 PHE 31 HE1 PHE 31 19.362 -0.265 -6.252 250 HE2 PHE 31 HE2 PHE 31 19.840 1.468 -10.117 251 HZ PHE 31 HZ PHE 31 18.752 1.453 -7.908 252 H ASP 32 H ASP 32 24.088 -4.357 -10.464 253 HA ASP 32 HA ASP 32 24.230 -6.659 -8.637 254 HB2 ASP 32 2HB ASP 32 26.064 -7.378 -10.339 255 HB3 ASP 32 3HB ASP 32 24.369 -7.540 -10.788 256 H ASN 33 H ASN 33 25.624 -3.639 -9.379 257 HA ASN 33 HA ASN 33 27.898 -4.238 -7.603 258 HB2 ASN 33 2HB ASN 33 28.029 -3.416 -10.271 259 HB3 ASN 33 3HB ASN 33 28.363 -1.959 -9.338 260 HD21 ASN 33 2HD2 ASN 33 31.174 -3.665 -7.668 261 HD22 ASN 33 1HD2 ASN 33 29.678 -2.956 -7.173 262 H LYS 34 H LYS 34 25.100 -3.047 -7.264 263 HA LYS 34 HA LYS 34 25.976 -0.794 -5.619 264 HB2 LYS 34 2HB LYS 34 23.579 -0.609 -7.448 265 HB3 LYS 34 3HB LYS 34 24.212 0.656 -6.403 266 HG2 LYS 34 2HG LYS 34 25.806 -0.535 -8.653 267 HG3 LYS 34 3HG LYS 34 24.739 0.856 -8.862 268 HD2 LYS 34 2HD LYS 34 26.005 2.119 -7.235 269 HD3 LYS 34 3HD LYS 34 27.016 0.715 -6.887 270 HE2 LYS 34 2HE LYS 34 28.398 1.714 -8.372 271 HE3 LYS 34 3HE LYS 34 27.376 0.877 -9.539 272 HZ1 LYS 34 3HZ LYS 34 26.399 3.471 -8.722 273 HZ2 LYS 34 1HZ LYS 34 26.508 2.791 -10.268 274 HZ3 LYS 34 2HZ LYS 34 27.866 3.513 -9.565 275 H LYS 35 H LYS 35 24.918 -3.634 -5.334 276 HA LYS 35 HA LYS 35 22.330 -3.511 -4.205 277 HB2 LYS 35 2HB LYS 35 22.883 -5.715 -3.230 278 HB3 LYS 35 3HB LYS 35 23.270 -5.621 -4.943 279 HG2 LYS 35 2HG LYS 35 25.632 -4.881 -3.865 280 HG3 LYS 35 3HG LYS 35 25.032 -5.979 -2.620 281 HD2 LYS 35 2HD LYS 35 24.757 -6.909 -5.408 282 HD3 LYS 35 3HD LYS 35 26.407 -6.787 -4.792 283 HE2 LYS 35 2HE LYS 35 24.374 -8.090 -3.064 284 HE3 LYS 35 3HE LYS 35 24.932 -8.976 -4.482 285 HZ1 LYS 35 3HZ LYS 35 26.299 -8.422 -2.018 286 HZ2 LYS 35 1HZ LYS 35 27.229 -8.055 -3.383 287 HZ3 LYS 35 2HZ LYS 35 26.605 -9.614 -3.179 288 H CYS 36 H CYS 36 21.895 -4.074 -1.870 289 HA CYS 36 HA CYS 36 22.665 -2.035 -0.187 290 HB2 CYS 36 2HB CYS 36 21.495 -4.747 0.263 291 HB3 CYS 36 3HB CYS 36 22.036 -3.823 1.661 292 H THR 37 H THR 37 24.647 -1.521 0.450 293 HA THR 37 HA THR 37 26.462 -3.693 1.277 294 HB THR 37 HB THR 37 28.333 -2.098 0.727 295 HG1 THR 37 HG1 THR 37 26.432 -0.715 -0.851 296 HG21 THR 37 3HG2 THR 37 27.026 -3.884 -0.866 297 HG22 THR 37 1HG2 THR 37 28.522 -3.059 -1.301 298 HG23 THR 37 2HG2 THR 37 26.972 -2.424 -1.853 299 H LYS 38 H LYS 38 24.719 -2.764 3.137 300 HA LYS 38 HA LYS 38 26.486 -1.734 5.138 301 HB2 LYS 38 2HB LYS 38 24.926 0.142 3.656 302 HB3 LYS 38 3HB LYS 38 24.283 0.063 5.291 303 HG2 LYS 38 2HG LYS 38 27.222 0.354 4.853 304 HG3 LYS 38 3HG LYS 38 26.157 1.756 4.728 305 HD2 LYS 38 2HD LYS 38 26.296 1.951 6.942 306 HD3 LYS 38 3HD LYS 38 25.372 0.452 7.067 307 HE2 LYS 38 2HE LYS 38 27.700 -0.675 6.734 308 HE3 LYS 38 3HE LYS 38 28.323 0.889 7.257 309 HZ1 LYS 38 3HZ LYS 38 26.230 -0.405 8.856 310 HZ2 LYS 38 1HZ LYS 38 27.473 0.634 9.347 311 HZ3 LYS 38 2HZ LYS 38 27.816 -0.981 8.979 312 H ASP 39 H ASP 39 25.497 -1.700 7.271 313 HA ASP 39 HA ASP 39 23.411 -3.725 7.477 314 HB2 ASP 39 2HB ASP 39 25.284 -2.489 9.496 315 HB3 ASP 39 3HB ASP 39 23.990 -3.595 9.949 316 H ASN 40 H ASN 40 21.354 -3.234 7.825 317 HA ASN 40 HA ASN 40 19.460 -2.119 8.410 318 HB2 ASN 40 2HB ASN 40 21.176 -0.412 10.215 319 HB3 ASN 40 3HB ASN 40 19.462 -0.781 10.386 320 HD21 ASN 40 2HD2 ASN 40 19.945 -3.725 12.136 321 HD22 ASN 40 1HD2 ASN 40 18.849 -2.592 11.428 322 H ASN 41 H ASN 41 20.856 -1.277 6.118 323 HA ASN 41 HA ASN 41 20.974 1.596 6.068 324 HB2 ASN 41 2HB ASN 41 21.454 1.330 3.684 325 HB3 ASN 41 3HB ASN 41 22.444 0.230 4.639 326 HD21 ASN 41 2HD2 ASN 41 21.246 -2.643 3.142 327 HD22 ASN 41 1HD2 ASN 41 22.318 -1.902 4.276 328 H LYS 42 H LYS 42 19.818 2.304 3.702 329 HA LYS 42 HA LYS 42 16.962 2.001 4.319 330 HB2 LYS 42 2HB LYS 42 18.184 4.094 2.528 331 HB3 LYS 42 3HB LYS 42 16.597 4.108 3.286 332 HG2 LYS 42 2HG LYS 42 17.752 4.237 5.501 333 HG3 LYS 42 3HG LYS 42 19.268 4.455 4.624 334 HD2 LYS 42 2HD LYS 42 18.591 6.520 3.744 335 HD3 LYS 42 3HD LYS 42 16.892 6.221 4.119 336 HE2 LYS 42 2HE LYS 42 17.371 7.618 5.842 337 HE3 LYS 42 3HE LYS 42 17.880 6.106 6.591 338 HZ1 LYS 42 3HZ LYS 42 19.530 8.278 5.492 339 HZ2 LYS 42 1HZ LYS 42 20.149 6.704 5.530 340 HZ3 LYS 42 2HZ LYS 42 19.677 7.461 6.966 341 H CYS 43 H CYS 43 16.007 0.480 3.137 342 HA CYS 43 HA CYS 43 16.233 0.591 0.243 343 HB2 CYS 43 2HB CYS 43 16.802 -1.730 -0.045 344 HB3 CYS 43 3HB CYS 43 18.014 -0.995 0.998 345 H THR 44 H THR 44 14.395 -0.039 -0.789 346 HA THR 44 HA THR 44 12.176 -0.923 0.935 347 HB THR 44 HB THR 44 10.669 0.054 -0.776 348 HG1 THR 44 HG1 THR 44 12.082 -0.017 -2.570 349 HG21 THR 44 3HG2 THR 44 10.785 1.684 0.765 350 HG22 THR 44 1HG2 THR 44 11.822 2.511 -0.397 351 HG23 THR 44 2HG2 THR 44 12.538 1.556 0.902 352 H VAL 45 H VAL 45 10.380 -2.005 -0.504 353 HA VAL 45 HA VAL 45 11.480 -3.744 -2.559 354 HB VAL 45 HB VAL 45 10.254 -4.864 -0.035 355 HG11 VAL 45 1HG1 VAL 45 9.471 -6.294 -1.672 356 HG12 VAL 45 2HG1 VAL 45 10.895 -6.075 -2.692 357 HG13 VAL 45 3HG1 VAL 45 10.999 -7.054 -1.228 358 HG21 VAL 45 3HG2 VAL 45 13.049 -4.825 -1.123 359 HG22 VAL 45 1HG2 VAL 45 12.478 -4.379 0.485 360 HG23 VAL 45 2HG2 VAL 45 12.519 -6.075 0.002 361 H ASP 46 H ASP 46 10.046 -3.968 -4.141 362 HA ASP 46 HA ASP 46 7.255 -3.247 -3.615 363 HB2 ASP 46 2HB ASP 46 9.025 -2.590 -5.686 364 HB3 ASP 46 3HB ASP 46 7.873 -3.714 -6.403 365 H THR 47 H THR 47 5.712 -4.738 -3.553 366 HA THR 47 HA THR 47 6.373 -7.473 -4.370 367 HB THR 47 HB THR 47 5.514 -7.075 -2.058 368 HG1 THR 47 HG1 THR 47 3.966 -8.809 -2.207 369 HG21 THR 47 3HG2 THR 47 3.925 -5.273 -2.621 370 HG22 THR 47 1HG2 THR 47 3.155 -6.586 -1.731 371 HG23 THR 47 2HG2 THR 47 2.921 -6.446 -3.474 372 H TYR 48 H TYR 48 5.523 -5.190 -6.168 373 HA TYR 48 HA TYR 48 3.191 -6.527 -7.378 374 HB2 TYR 48 2HB TYR 48 2.893 -4.143 -6.445 375 HB3 TYR 48 3HB TYR 48 3.868 -3.627 -7.816 376 HD1 TYR 48 HD1 TYR 48 3.029 -3.994 -10.132 377 HD2 TYR 48 HD2 TYR 48 0.608 -4.750 -6.715 378 HE1 TYR 48 HE1 TYR 48 1.023 -3.970 -11.555 379 HE2 TYR 48 HE2 TYR 48 -1.404 -4.729 -8.129 380 HH TYR 48 HH TYR 48 -1.184 -4.480 -11.636 381 H ASN 49 H ASN 49 6.223 -4.819 -7.973 382 HA ASN 49 HA ASN 49 6.398 -6.186 -10.568 383 HB2 ASN 49 2HB ASN 49 7.050 -4.264 -11.724 384 HB3 ASN 49 3HB ASN 49 5.765 -3.671 -10.676 385 HD21 ASN 49 2HD2 ASN 49 7.914 -1.781 -8.601 386 HD22 ASN 49 1HD2 ASN 49 6.443 -2.686 -8.629 387 H ASN 50 H ASN 50 7.592 -6.316 -7.710 388 HA ASN 50 HA ASN 50 9.595 -6.777 -6.726 389 HB2 ASN 50 2HB ASN 50 9.348 -8.515 -8.657 390 HB3 ASN 50 3HB ASN 50 10.644 -7.597 -9.417 391 HD21 ASN 50 2HD2 ASN 50 12.534 -10.087 -7.733 392 HD22 ASN 50 1HD2 ASN 50 11.667 -9.764 -9.192 393 H ALA 51 H ALA 51 9.962 -4.476 -6.414 394 HA ALA 51 HA ALA 51 12.312 -3.555 -7.927 395 HB1 ALA 51 1HB ALA 51 9.766 -2.354 -7.952 396 HB2 ALA 51 2HB ALA 51 10.811 -1.309 -6.989 397 HB3 ALA 51 3HB ALA 51 11.266 -1.733 -8.639 398 H VAL 52 H VAL 52 13.998 -3.092 -6.678 399 HA VAL 52 HA VAL 52 13.523 -2.641 -3.804 400 HB VAL 52 HB VAL 52 14.755 -4.707 -4.237 401 HG11 VAL 52 1HG1 VAL 52 17.052 -4.570 -5.189 402 HG12 VAL 52 2HG1 VAL 52 15.773 -4.213 -6.351 403 HG13 VAL 52 3HG1 VAL 52 16.715 -2.900 -5.643 404 HG21 VAL 52 3HG2 VAL 52 16.932 -3.020 -3.194 405 HG22 VAL 52 1HG2 VAL 52 15.369 -2.825 -2.401 406 HG23 VAL 52 2HG2 VAL 52 16.130 -4.414 -2.472 407 H ASP 53 H ASP 53 14.688 -1.038 -2.733 408 HA ASP 53 HA ASP 53 16.000 0.926 -4.496 409 HB2 ASP 53 2HB ASP 53 13.785 1.585 -3.416 410 HB3 ASP 53 3HB ASP 53 14.646 1.573 -1.879 411 H CYS 54 H CYS 54 17.472 -1.168 -3.434 412 HA CYS 54 HA CYS 54 18.685 -0.749 -0.971 413 HB2 CYS 54 2HB CYS 54 20.635 -1.999 -1.964 414 HB3 CYS 54 3HB CYS 54 19.078 -2.803 -2.132 415 H ASP 55 H ASP 55 20.322 0.506 -0.231 416 HA ASP 55 HA ASP 55 20.847 2.975 -1.347 417 HB2 ASP 55 2HB ASP 55 21.938 1.373 0.840 418 HB3 ASP 55 3HB ASP 55 23.134 2.448 0.120 Start of MODEL 18 1 H1 ALA 1 H ALA 1 2.704 1.234 0.220 2 HA ALA 1 HA ALA 1 1.518 0.710 -2.152 3 HB1 ALA 1 1HB ALA 1 3.244 2.514 -3.407 4 HB2 ALA 1 2HB ALA 1 1.482 2.577 -3.355 5 HB3 ALA 1 3HB ALA 1 2.432 3.438 -2.143 6 H LYS 2 H LYS 2 4.594 1.629 -0.706 7 HA LYS 2 HA LYS 2 5.806 -0.744 -1.946 8 HB2 LYS 2 2HB LYS 2 7.939 0.539 -2.157 9 HB3 LYS 2 3HB LYS 2 6.653 1.112 -3.211 10 HG2 LYS 2 2HG LYS 2 6.723 3.142 -2.322 11 HG3 LYS 2 3HG LYS 2 6.622 2.500 -0.681 12 HD2 LYS 2 2HD LYS 2 8.679 3.551 -0.655 13 HD3 LYS 2 3HD LYS 2 9.127 1.891 -1.056 14 HE2 LYS 2 2HE LYS 2 10.338 3.170 -2.580 15 HE3 LYS 2 3HE LYS 2 8.929 2.650 -3.504 16 HZ1 LYS 2 3HZ LYS 2 9.775 5.191 -3.311 17 HZ2 LYS 2 1HZ LYS 2 8.586 5.153 -2.108 18 HZ3 LYS 2 2HZ LYS 2 8.192 4.738 -3.699 19 H TYR 3 H TYR 3 6.733 -2.063 -0.520 20 HA TYR 3 HA TYR 3 6.681 -1.531 2.251 21 HB2 TYR 3 2HB TYR 3 8.355 -3.661 0.925 22 HB3 TYR 3 3HB TYR 3 7.651 -3.685 2.538 23 HD1 TYR 3 HD1 TYR 3 5.018 -3.530 2.597 24 HD2 TYR 3 HD2 TYR 3 7.282 -4.809 -0.771 25 HE1 TYR 3 HE1 TYR 3 3.041 -4.701 1.720 26 HE2 TYR 3 HE2 TYR 3 5.311 -5.983 -1.658 27 HH TYR 3 HH TYR 3 2.270 -6.100 0.159 28 H THR 4 H THR 4 8.412 -1.306 3.730 29 HA THR 4 HA THR 4 10.934 -0.335 2.559 30 HB THR 4 HB THR 4 9.489 0.904 4.909 31 HG1 THR 4 HG1 THR 4 9.321 2.699 3.441 32 HG21 THR 4 3HG2 THR 4 12.169 1.403 3.653 33 HG22 THR 4 1HG2 THR 4 11.767 1.194 5.357 34 HG23 THR 4 2HG2 THR 4 11.315 2.680 4.520 35 H GLY 5 H GLY 5 12.809 -0.817 3.671 36 HA2 GLY 5 2HA GLY 5 12.817 -1.902 6.311 37 HA3 GLY 5 3HA GLY 5 12.970 -3.168 5.102 38 H LYS 6 H LYS 6 15.053 -3.515 6.202 39 HA LYS 6 HA LYS 6 17.127 -1.865 4.945 40 HB2 LYS 6 2HB LYS 6 17.459 -2.860 7.763 41 HB3 LYS 6 3HB LYS 6 18.384 -1.625 6.919 42 HG2 LYS 6 2HG LYS 6 17.130 -0.237 8.164 43 HG3 LYS 6 3HG LYS 6 15.955 -0.484 6.870 44 HD2 LYS 6 2HD LYS 6 14.611 -0.980 8.633 45 HD3 LYS 6 3HD LYS 6 15.327 -2.577 8.404 46 HE2 LYS 6 2HE LYS 6 17.099 -1.132 10.044 47 HE3 LYS 6 3HE LYS 6 15.479 -0.825 10.669 48 HZ1 LYS 6 3HZ LYS 6 15.423 -2.849 11.533 49 HZ2 LYS 6 1HZ LYS 6 17.033 -3.079 11.067 50 HZ3 LYS 6 2HZ LYS 6 15.779 -3.566 10.043 51 H CYS 7 H CYS 7 19.114 -2.941 4.566 52 HA CYS 7 HA CYS 7 18.856 -5.872 4.557 53 HB2 CYS 7 2HB CYS 7 20.972 -4.660 2.907 54 HB3 CYS 7 3HB CYS 7 19.812 -5.922 2.506 55 H THR 8 H THR 8 21.451 -6.602 4.116 56 HA THR 8 HA THR 8 22.987 -5.499 6.361 57 HB THR 8 HB THR 8 23.209 -8.421 6.056 58 HG1 THR 8 HG1 THR 8 20.877 -7.285 7.240 59 HG21 THR 8 3HG2 THR 8 23.068 -6.436 8.305 60 HG22 THR 8 1HG2 THR 8 24.408 -7.482 7.838 61 HG23 THR 8 2HG2 THR 8 22.977 -8.171 8.604 62 H LYS 9 H LYS 9 24.987 -5.014 5.759 63 HA LYS 9 HA LYS 9 26.003 -5.476 3.199 64 HB2 LYS 9 2HB LYS 9 28.042 -4.516 3.973 65 HB3 LYS 9 3HB LYS 9 26.739 -3.694 4.822 66 HG2 LYS 9 2HG LYS 9 28.011 -4.073 6.626 67 HG3 LYS 9 3HG LYS 9 27.284 -5.680 6.567 68 HD2 LYS 9 2HD LYS 9 29.423 -6.384 6.567 69 HD3 LYS 9 3HD LYS 9 29.355 -5.993 4.847 70 HE2 LYS 9 2HE LYS 9 30.112 -3.902 6.850 71 HE3 LYS 9 3HE LYS 9 31.305 -5.074 6.293 72 HZ1 LYS 9 3HZ LYS 9 29.966 -4.056 4.058 73 HZ2 LYS 9 1HZ LYS 9 31.593 -3.865 4.480 74 HZ3 LYS 9 2HZ LYS 9 30.444 -2.743 5.011 75 H SER 10 H SER 10 25.899 -7.522 5.933 76 HA SER 10 HA SER 10 28.132 -9.097 5.761 77 HB2 SER 10 2HB SER 10 26.561 -9.538 7.498 78 HB3 SER 10 3HB SER 10 25.269 -9.864 6.342 79 HG SER 10 HG SER 10 27.608 -11.427 6.334 80 H LYS 11 H LYS 11 25.083 -10.227 4.326 81 HA LYS 11 HA LYS 11 26.616 -11.156 1.988 82 HB2 LYS 11 2HB LYS 11 25.386 -12.775 3.899 83 HB3 LYS 11 3HB LYS 11 24.266 -12.769 2.542 84 HG2 LYS 11 2HG LYS 11 26.267 -13.343 1.086 85 HG3 LYS 11 3HG LYS 11 27.128 -13.670 2.592 86 HD2 LYS 11 2HD LYS 11 26.309 -15.761 2.028 87 HD3 LYS 11 3HD LYS 11 25.074 -15.164 3.139 88 HE2 LYS 11 2HE LYS 11 23.523 -14.894 1.485 89 HE3 LYS 11 3HE LYS 11 24.738 -14.576 0.248 90 HZ1 LYS 11 3HZ LYS 11 23.844 -16.671 -0.251 91 HZ2 LYS 11 1HZ LYS 11 23.908 -17.192 1.357 92 HZ3 LYS 11 2HZ LYS 11 25.337 -17.002 0.472 93 H ASN 12 H ASN 12 24.622 -8.875 2.787 94 HA ASN 12 HA ASN 12 23.102 -7.592 1.684 95 HB2 ASN 12 2HB ASN 12 24.012 -7.427 -0.373 96 HB3 ASN 12 3HB ASN 12 24.408 -9.142 -0.430 97 HD21 ASN 12 2HD2 ASN 12 20.960 -7.732 -2.061 98 HD22 ASN 12 1HD2 ASN 12 21.919 -6.759 -1.002 99 H GLU 13 H GLU 13 21.059 -7.740 2.311 100 HA GLU 13 HA GLU 13 19.217 -9.525 1.106 101 HB2 GLU 13 2HB GLU 13 20.609 -10.671 3.212 102 HB3 GLU 13 3HB GLU 13 19.106 -10.138 3.953 103 HG2 GLU 13 2HG GLU 13 17.871 -11.351 2.169 104 HG3 GLU 13 3HG GLU 13 19.414 -11.986 1.600 105 H CYS 14 H CYS 14 18.055 -7.649 0.744 106 HA CYS 14 HA CYS 14 17.357 -5.846 2.852 107 HB2 CYS 14 2HB CYS 14 16.827 -6.086 -0.044 108 HB3 CYS 14 3HB CYS 14 15.570 -5.276 0.885 109 H LYS 15 H LYS 15 15.985 -6.359 4.415 110 HA LYS 15 HA LYS 15 13.962 -8.392 4.032 111 HB2 LYS 15 2HB LYS 15 15.146 -8.386 6.132 112 HB3 LYS 15 3HB LYS 15 14.726 -6.702 6.417 113 HG2 LYS 15 2HG LYS 15 12.500 -8.625 6.062 114 HG3 LYS 15 3HG LYS 15 13.425 -8.703 7.563 115 HD2 LYS 15 2HD LYS 15 12.591 -6.011 6.674 116 HD3 LYS 15 3HD LYS 15 11.302 -7.091 7.210 117 HE2 LYS 15 2HE LYS 15 13.792 -6.666 8.835 118 HE3 LYS 15 3HE LYS 15 12.408 -5.581 8.960 119 HZ1 LYS 15 3HZ LYS 15 12.656 -8.379 9.792 120 HZ2 LYS 15 1HZ LYS 15 11.140 -7.830 9.280 121 HZ3 LYS 15 2HZ LYS 15 11.915 -7.081 10.583 122 H TYR 16 H TYR 16 11.721 -8.084 4.305 123 HA TYR 16 HA TYR 16 10.546 -5.526 4.682 124 HB2 TYR 16 2HB TYR 16 9.755 -5.033 2.495 125 HB3 TYR 16 3HB TYR 16 11.478 -5.354 2.329 126 HD1 TYR 16 HD1 TYR 16 12.085 -7.853 1.739 127 HD2 TYR 16 HD2 TYR 16 8.290 -6.063 1.033 128 HE1 TYR 16 HE1 TYR 16 11.607 -9.555 0.029 129 HE2 TYR 16 HE2 TYR 16 7.801 -7.760 -0.678 130 HH TYR 16 HH TYR 16 10.211 -9.926 -1.859 131 H LYS 17 H LYS 17 8.119 -5.680 3.788 132 HA LYS 17 HA LYS 17 7.117 -8.279 4.737 133 HB2 LYS 17 2HB LYS 17 5.049 -7.089 5.324 134 HB3 LYS 17 3HB LYS 17 6.448 -6.392 6.130 135 HG2 LYS 17 2HG LYS 17 6.353 -4.865 3.906 136 HG3 LYS 17 3HG LYS 17 4.640 -5.227 4.130 137 HD2 LYS 17 2HD LYS 17 4.488 -3.928 5.955 138 HD3 LYS 17 3HD LYS 17 6.031 -4.495 6.599 139 HE2 LYS 17 2HE LYS 17 6.079 -2.707 4.226 140 HE3 LYS 17 3HE LYS 17 5.674 -1.995 5.787 141 HZ1 LYS 17 3HZ LYS 17 8.207 -2.939 4.806 142 HZ2 LYS 17 1HZ LYS 17 7.839 -3.511 6.355 143 HZ3 LYS 17 2HZ LYS 17 7.869 -1.847 6.054 144 H ASN 18 H ASN 18 5.344 -9.258 3.678 145 HA ASN 18 HA ASN 18 4.896 -8.304 0.926 146 HB2 ASN 18 2HB ASN 18 4.436 -10.901 0.593 147 HB3 ASN 18 3HB ASN 18 6.059 -10.230 0.470 148 HD21 ASN 18 2HD2 ASN 18 7.240 -11.699 3.439 149 HD22 ASN 18 1HD2 ASN 18 7.442 -10.388 2.332 150 H ASP 19 H ASP 19 3.462 -10.829 2.987 151 HA ASP 19 HA ASP 19 0.822 -10.227 2.073 152 HB2 ASP 19 2HB ASP 19 1.140 -12.480 2.632 153 HB3 ASP 19 3HB ASP 19 1.961 -12.087 4.140 154 H ALA 20 H ALA 20 1.888 -10.388 5.460 155 HA ALA 20 HA ALA 20 0.737 -7.747 5.954 156 HB1 ALA 20 1HB ALA 20 -1.056 -9.446 6.313 157 HB2 ALA 20 2HB ALA 20 -0.071 -10.133 7.605 158 HB3 ALA 20 3HB ALA 20 -0.672 -8.480 7.738 159 H GLY 21 H GLY 21 3.280 -7.784 5.978 160 HA2 GLY 21 2HA GLY 21 4.901 -6.991 7.495 161 HA3 GLY 21 3HA GLY 21 4.017 -7.759 8.806 162 H LYS 22 H LYS 22 4.292 -9.872 6.232 163 HA LYS 22 HA LYS 22 5.869 -11.720 7.607 164 HB2 LYS 22 2HB LYS 22 4.685 -11.487 4.949 165 HB3 LYS 22 3HB LYS 22 6.203 -12.376 4.936 166 HG2 LYS 22 2HG LYS 22 4.002 -13.028 6.867 167 HG3 LYS 22 3HG LYS 22 4.059 -13.710 5.240 168 HD2 LYS 22 2HD LYS 22 6.436 -13.880 7.057 169 HD3 LYS 22 3HD LYS 22 5.112 -15.039 7.195 170 HE2 LYS 22 2HE LYS 22 5.824 -14.745 4.443 171 HE3 LYS 22 3HE LYS 22 7.280 -15.066 5.385 172 HZ1 LYS 22 3HZ LYS 22 5.032 -16.795 4.813 173 HZ2 LYS 22 1HZ LYS 22 5.569 -16.846 6.417 174 HZ3 LYS 22 2HZ LYS 22 6.642 -17.187 5.155 175 H ASP 23 H ASP 23 7.849 -11.107 8.299 176 HA ASP 23 HA ASP 23 9.652 -9.488 6.863 177 HB2 ASP 23 2HB ASP 23 11.346 -10.342 8.506 178 HB3 ASP 23 3HB ASP 23 9.889 -9.683 9.245 179 H THR 24 H THR 24 9.936 -10.247 4.782 180 HA THR 24 HA THR 24 11.229 -12.880 4.511 181 HB THR 24 HB THR 24 9.741 -11.248 2.446 182 HG1 THR 24 HG1 THR 24 9.159 -13.605 3.912 183 HG21 THR 24 3HG2 THR 24 11.724 -13.323 2.144 184 HG22 THR 24 1HG2 THR 24 10.918 -12.357 0.908 185 HG23 THR 24 2HG2 THR 24 10.169 -13.842 1.495 186 H PHE 25 H PHE 25 13.343 -12.858 4.170 187 HA PHE 25 HA PHE 25 14.695 -10.414 3.431 188 HB2 PHE 25 2HB PHE 25 16.020 -13.098 3.730 189 HB3 PHE 25 3HB PHE 25 16.696 -11.499 4.022 190 HD1 PHE 25 HD1 PHE 25 16.225 -14.232 5.733 191 HD2 PHE 25 HD2 PHE 25 14.661 -10.274 5.729 192 HE1 PHE 25 HE1 PHE 25 15.685 -14.447 8.123 193 HE2 PHE 25 HE2 PHE 25 14.118 -10.482 8.119 194 HZ PHE 25 HZ PHE 25 14.631 -12.570 9.320 195 H ILE 26 H ILE 26 15.565 -9.912 1.501 196 HA ILE 26 HA ILE 26 15.875 -11.959 -0.546 197 HB ILE 26 HB ILE 26 13.518 -10.856 -0.646 198 HG12 ILE 26 2HG1 ILE 26 14.958 -12.207 -2.428 199 HG13 ILE 26 3HG1 ILE 26 13.413 -11.479 -2.852 200 HG21 ILE 26 1HG2 ILE 26 14.276 -8.553 -0.436 201 HG22 ILE 26 2HG2 ILE 26 15.211 -8.712 -1.922 202 HG23 ILE 26 3HG2 ILE 26 13.451 -8.799 -1.975 203 HD11 ILE 26 3HD1 ILE 26 16.064 -10.134 -3.289 204 HD12 ILE 26 1HD1 ILE 26 15.242 -11.114 -4.503 205 HD13 ILE 26 2HD1 ILE 26 14.487 -9.637 -3.902 206 H LYS 27 H LYS 27 17.550 -11.565 -1.884 207 HA LYS 27 HA LYS 27 19.431 -9.581 -1.259 208 HB2 LYS 27 2HB LYS 27 20.664 -10.348 -3.170 209 HB3 LYS 27 3HB LYS 27 19.922 -11.747 -2.405 210 HG2 LYS 27 2HG LYS 27 18.130 -11.688 -4.093 211 HG3 LYS 27 3HG LYS 27 18.949 -10.337 -4.882 212 HD2 LYS 27 2HD LYS 27 19.603 -12.261 -6.079 213 HD3 LYS 27 3HD LYS 27 20.978 -11.856 -5.049 214 HE2 LYS 27 2HE LYS 27 19.353 -13.553 -3.523 215 HE3 LYS 27 3HE LYS 27 19.399 -14.262 -5.137 216 HZ1 LYS 27 3HZ LYS 27 21.553 -14.790 -4.932 217 HZ2 LYS 27 1HZ LYS 27 21.275 -14.645 -3.269 218 HZ3 LYS 27 2HZ LYS 27 21.954 -13.356 -4.127 219 H CYS 28 H CYS 28 20.297 -8.501 -3.642 220 HA CYS 28 HA CYS 28 18.138 -6.591 -4.235 221 HB2 CYS 28 2HB CYS 28 20.516 -5.971 -3.199 222 HB3 CYS 28 3HB CYS 28 20.973 -5.965 -4.899 223 HA PRO 29 HA PRO 29 18.589 -8.889 -8.177 224 HB2 PRO 29 2HB PRO 29 15.990 -8.574 -8.895 225 HB3 PRO 29 3HB PRO 29 16.541 -9.867 -7.822 226 HG2 PRO 29 2HG PRO 29 15.264 -7.248 -7.134 227 HG3 PRO 29 3HG PRO 29 14.950 -8.857 -6.459 228 HD2 PRO 29 2HD PRO 29 16.488 -7.022 -5.194 229 HD3 PRO 29 3HD PRO 29 16.783 -8.768 -5.064 230 H LYS 30 H LYS 30 17.558 -5.709 -7.323 231 HA LYS 30 HA LYS 30 17.055 -4.637 -9.873 232 HB2 LYS 30 2HB LYS 30 17.356 -3.656 -7.180 233 HB3 LYS 30 3HB LYS 30 18.200 -2.598 -8.303 234 HG2 LYS 30 2HG LYS 30 15.308 -3.417 -8.489 235 HG3 LYS 30 3HG LYS 30 15.913 -1.857 -7.926 236 HD2 LYS 30 2HD LYS 30 17.110 -1.820 -10.253 237 HD3 LYS 30 3HD LYS 30 15.868 -2.997 -10.687 238 HE2 LYS 30 2HE LYS 30 14.965 -0.915 -11.286 239 HE3 LYS 30 3HE LYS 30 14.189 -1.323 -9.757 240 HZ1 LYS 30 3HZ LYS 30 15.261 0.327 -8.665 241 HZ2 LYS 30 1HZ LYS 30 15.262 1.032 -10.203 242 HZ3 LYS 30 2HZ LYS 30 16.647 0.247 -9.632 243 H PHE 31 H PHE 31 19.968 -4.113 -7.878 244 HA PHE 31 HA PHE 31 21.502 -3.812 -10.371 245 HB2 PHE 31 2HB PHE 31 22.731 -2.950 -7.826 246 HB3 PHE 31 3HB PHE 31 22.729 -2.163 -9.401 247 HD1 PHE 31 HD1 PHE 31 21.066 -0.553 -9.980 248 HD2 PHE 31 HD2 PHE 31 20.862 -2.637 -6.274 249 HE1 PHE 31 HE1 PHE 31 19.364 1.036 -9.184 250 HE2 PHE 31 HE2 PHE 31 19.160 -1.052 -5.473 251 HZ PHE 31 HZ PHE 31 18.408 0.787 -6.928 252 H ASP 32 H ASP 32 23.873 -4.431 -10.110 253 HA ASP 32 HA ASP 32 24.037 -6.988 -8.653 254 HB2 ASP 32 2HB ASP 32 24.190 -6.678 -11.352 255 HB3 ASP 32 3HB ASP 32 25.891 -6.565 -10.909 256 H ASN 33 H ASN 33 25.500 -3.921 -9.275 257 HA ASN 33 HA ASN 33 27.742 -4.649 -7.505 258 HB2 ASN 33 2HB ASN 33 27.749 -3.421 -10.116 259 HB3 ASN 33 3HB ASN 33 28.458 -2.328 -8.930 260 HD21 ASN 33 2HD2 ASN 33 31.030 -4.745 -8.052 261 HD22 ASN 33 1HD2 ASN 33 29.828 -3.791 -7.260 262 H LYS 34 H LYS 34 24.955 -2.847 -7.807 263 HA LYS 34 HA LYS 34 25.879 -0.844 -5.856 264 HB2 LYS 34 2HB LYS 34 23.391 -0.694 -7.560 265 HB3 LYS 34 3HB LYS 34 24.098 0.590 -6.589 266 HG2 LYS 34 2HG LYS 34 25.467 -0.668 -8.954 267 HG3 LYS 34 3HG LYS 34 24.487 0.798 -9.041 268 HD2 LYS 34 2HD LYS 34 26.416 0.989 -6.910 269 HD3 LYS 34 3HD LYS 34 27.214 0.606 -8.437 270 HE2 LYS 34 2HE LYS 34 26.415 2.545 -9.471 271 HE3 LYS 34 3HE LYS 34 25.163 2.788 -8.254 272 HZ1 LYS 34 3HZ LYS 34 27.031 4.343 -8.028 273 HZ2 LYS 34 1HZ LYS 34 28.079 3.043 -7.752 274 HZ3 LYS 34 2HZ LYS 34 26.837 3.377 -6.653 275 H LYS 35 H LYS 35 24.789 -3.717 -5.593 276 HA LYS 35 HA LYS 35 22.276 -3.685 -4.390 277 HB2 LYS 35 2HB LYS 35 22.782 -5.833 -3.548 278 HB3 LYS 35 3HB LYS 35 23.676 -5.702 -5.057 279 HG2 LYS 35 2HG LYS 35 25.425 -4.763 -3.103 280 HG3 LYS 35 3HG LYS 35 24.639 -6.171 -2.385 281 HD2 LYS 35 2HD LYS 35 25.621 -7.610 -3.821 282 HD3 LYS 35 3HD LYS 35 25.499 -6.494 -5.183 283 HE2 LYS 35 2HE LYS 35 27.394 -5.222 -4.314 284 HE3 LYS 35 3HE LYS 35 27.506 -6.317 -2.936 285 HZ1 LYS 35 3HZ LYS 35 27.600 -7.519 -5.591 286 HZ2 LYS 35 1HZ LYS 35 28.437 -7.938 -4.182 287 HZ3 LYS 35 2HZ LYS 35 28.954 -6.625 -5.113 288 H CYS 36 H CYS 36 22.189 -4.502 -1.916 289 HA CYS 36 HA CYS 36 22.752 -2.196 -0.371 290 HB2 CYS 36 2HB CYS 36 21.558 -4.869 0.121 291 HB3 CYS 36 3HB CYS 36 22.188 -4.016 1.526 292 H THR 37 H THR 37 24.669 -1.612 0.378 293 HA THR 37 HA THR 37 26.529 -3.712 1.281 294 HB THR 37 HB THR 37 27.408 -2.753 -0.765 295 HG1 THR 37 HG1 THR 37 29.364 -2.578 0.073 296 HG21 THR 37 3HG2 THR 37 28.131 -0.197 -0.393 297 HG22 THR 37 1HG2 THR 37 26.638 -0.212 0.545 298 HG23 THR 37 2HG2 THR 37 26.613 -0.661 -1.160 299 H LYS 38 H LYS 38 24.769 -2.706 3.075 300 HA LYS 38 HA LYS 38 26.519 -1.466 4.987 301 HB2 LYS 38 2HB LYS 38 24.736 0.177 3.449 302 HB3 LYS 38 3HB LYS 38 24.222 0.179 5.131 303 HG2 LYS 38 2HG LYS 38 27.101 0.606 4.517 304 HG3 LYS 38 3HG LYS 38 25.961 1.925 4.239 305 HD2 LYS 38 2HD LYS 38 25.850 2.371 6.418 306 HD3 LYS 38 3HD LYS 38 25.483 0.686 6.797 307 HE2 LYS 38 2HE LYS 38 27.957 0.228 6.548 308 HE3 LYS 38 3HE LYS 38 28.188 1.975 6.502 309 HZ1 LYS 38 3HZ LYS 38 27.216 0.307 8.736 310 HZ2 LYS 38 1HZ LYS 38 26.896 1.968 8.686 311 HZ3 LYS 38 2HZ LYS 38 28.494 1.415 8.720 312 H ASP 39 H ASP 39 25.703 -1.547 7.130 313 HA ASP 39 HA ASP 39 23.729 -3.642 7.500 314 HB2 ASP 39 2HB ASP 39 25.498 -2.169 9.462 315 HB3 ASP 39 3HB ASP 39 24.391 -3.465 9.905 316 H ASN 40 H ASN 40 21.649 -3.238 7.805 317 HA ASN 40 HA ASN 40 19.699 -2.224 8.390 318 HB2 ASN 40 2HB ASN 40 21.238 -0.358 10.180 319 HB3 ASN 40 3HB ASN 40 19.611 -0.998 10.395 320 HD21 ASN 40 2HD2 ASN 40 22.574 -2.754 12.247 321 HD22 ASN 40 1HD2 ASN 40 22.534 -1.127 11.667 322 H ASN 41 H ASN 41 20.937 -1.335 6.076 323 HA ASN 41 HA ASN 41 21.015 1.533 6.002 324 HB2 ASN 41 2HB ASN 41 21.280 1.237 3.567 325 HB3 ASN 41 3HB ASN 41 22.399 0.222 4.472 326 HD21 ASN 41 2HD2 ASN 41 21.219 -2.764 3.192 327 HD22 ASN 41 1HD2 ASN 41 22.331 -1.934 4.222 328 H LYS 42 H LYS 42 19.693 2.300 3.786 329 HA LYS 42 HA LYS 42 16.879 1.864 4.526 330 HB2 LYS 42 2HB LYS 42 17.991 4.201 4.620 331 HB3 LYS 42 3HB LYS 42 17.871 4.165 2.866 332 HG2 LYS 42 2HG LYS 42 15.721 4.704 2.922 333 HG3 LYS 42 3HG LYS 42 15.365 3.438 4.099 334 HD2 LYS 42 2HD LYS 42 15.867 4.853 5.920 335 HD3 LYS 42 3HD LYS 42 16.650 6.043 4.879 336 HE2 LYS 42 2HE LYS 42 13.718 5.350 4.764 337 HE3 LYS 42 3HE LYS 42 14.381 6.707 5.674 338 HZ1 LYS 42 3HZ LYS 42 13.613 7.482 3.561 339 HZ2 LYS 42 1HZ LYS 42 14.509 6.309 2.735 340 HZ3 LYS 42 2HZ LYS 42 15.303 7.552 3.562 341 H CYS 43 H CYS 43 15.955 0.405 3.240 342 HA CYS 43 HA CYS 43 16.084 0.806 0.356 343 HB2 CYS 43 2HB CYS 43 16.695 -1.434 -0.167 344 HB3 CYS 43 3HB CYS 43 17.868 -0.866 1.017 345 H THR 44 H THR 44 14.254 0.162 -0.727 346 HA THR 44 HA THR 44 12.051 -0.814 0.969 347 HB THR 44 HB THR 44 10.578 0.241 -0.848 348 HG1 THR 44 HG1 THR 44 12.811 1.895 -1.344 349 HG21 THR 44 3HG2 THR 44 11.859 2.557 0.316 350 HG22 THR 44 1HG2 THR 44 11.691 1.261 1.500 351 HG23 THR 44 2HG2 THR 44 10.270 1.868 0.649 352 H VAL 45 H VAL 45 10.215 -1.704 -0.624 353 HA VAL 45 HA VAL 45 11.337 -3.348 -2.745 354 HB VAL 45 HB VAL 45 9.919 -4.597 -0.387 355 HG11 VAL 45 1HG1 VAL 45 10.833 -6.692 -1.718 356 HG12 VAL 45 2HG1 VAL 45 9.270 -5.965 -2.096 357 HG13 VAL 45 3HG1 VAL 45 10.682 -5.586 -3.084 358 HG21 VAL 45 3HG2 VAL 45 12.139 -4.105 0.286 359 HG22 VAL 45 1HG2 VAL 45 12.113 -5.816 -0.139 360 HG23 VAL 45 2HG2 VAL 45 12.800 -4.640 -1.259 361 H ASP 46 H ASP 46 9.855 -3.951 -4.280 362 HA ASP 46 HA ASP 46 7.061 -3.142 -3.810 363 HB2 ASP 46 2HB ASP 46 8.838 -1.932 -5.585 364 HB3 ASP 46 3HB ASP 46 7.855 -2.983 -6.601 365 H THR 47 H THR 47 5.860 -4.918 -3.776 366 HA THR 47 HA THR 47 6.653 -7.374 -4.977 367 HB THR 47 HB THR 47 5.295 -7.465 -2.997 368 HG1 THR 47 HG1 THR 47 3.888 -8.996 -3.710 369 HG21 THR 47 3HG2 THR 47 3.270 -5.912 -4.605 370 HG22 THR 47 1HG2 THR 47 4.085 -5.402 -3.127 371 HG23 THR 47 2HG2 THR 47 2.905 -6.712 -3.077 372 H TYR 48 H TYR 48 5.016 -4.618 -6.142 373 HA TYR 48 HA TYR 48 3.226 -5.604 -7.992 374 HB2 TYR 48 2HB TYR 48 4.005 -3.139 -7.364 375 HB3 TYR 48 3HB TYR 48 4.965 -3.330 -8.827 376 HD1 TYR 48 HD1 TYR 48 2.015 -2.030 -7.663 377 HD2 TYR 48 HD2 TYR 48 3.459 -4.510 -10.805 378 HE1 TYR 48 HE1 TYR 48 0.049 -1.445 -9.020 379 HE2 TYR 48 HE2 TYR 48 1.498 -3.931 -12.171 380 HH TYR 48 HH TYR 48 -0.583 -1.378 -11.413 381 H ASN 49 H ASN 49 6.715 -5.079 -8.400 382 HA ASN 49 HA ASN 49 6.781 -7.157 -10.426 383 HB2 ASN 49 2HB ASN 49 8.183 -5.569 -11.911 384 HB3 ASN 49 3HB ASN 49 6.430 -5.400 -11.936 385 HD21 ASN 49 2HD2 ASN 49 8.690 -2.554 -10.050 386 HD22 ASN 49 1HD2 ASN 49 9.246 -4.187 -10.152 387 H ASN 50 H ASN 50 7.813 -6.834 -7.733 388 HA ASN 50 HA ASN 50 9.715 -7.126 -6.513 389 HB2 ASN 50 2HB ASN 50 10.980 -8.234 -9.010 390 HB3 ASN 50 3HB ASN 50 11.225 -8.735 -7.340 391 HD21 ASN 50 2HD2 ASN 50 8.622 -11.020 -7.302 392 HD22 ASN 50 1HD2 ASN 50 9.881 -10.212 -6.438 393 H ALA 51 H ALA 51 10.017 -4.799 -6.431 394 HA ALA 51 HA ALA 51 12.459 -3.975 -7.856 395 HB1 ALA 51 1HB ALA 51 9.845 -2.728 -7.876 396 HB2 ALA 51 2HB ALA 51 11.101 -1.621 -7.321 397 HB3 ALA 51 3HB ALA 51 11.255 -2.414 -8.889 398 H VAL 52 H VAL 52 14.048 -3.751 -6.434 399 HA VAL 52 HA VAL 52 13.401 -2.891 -3.697 400 HB VAL 52 HB VAL 52 14.548 -5.031 -3.797 401 HG11 VAL 52 1HG1 VAL 52 16.672 -3.522 -5.313 402 HG12 VAL 52 2HG1 VAL 52 16.885 -5.142 -4.648 403 HG13 VAL 52 3HG1 VAL 52 15.681 -4.855 -5.905 404 HG21 VAL 52 3HG2 VAL 52 16.509 -4.485 -2.378 405 HG22 VAL 52 1HG2 VAL 52 16.288 -2.784 -2.788 406 HG23 VAL 52 2HG2 VAL 52 15.038 -3.644 -1.889 407 H ASP 53 H ASP 53 14.300 -1.095 -2.819 408 HA ASP 53 HA ASP 53 15.902 0.584 -4.624 409 HB2 ASP 53 2HB ASP 53 13.589 1.274 -3.512 410 HB3 ASP 53 3HB ASP 53 14.638 1.694 -2.161 411 H CYS 54 H CYS 54 17.518 -1.178 -3.636 412 HA CYS 54 HA CYS 54 18.532 -0.997 -1.083 413 HB2 CYS 54 2HB CYS 54 19.962 -1.501 -3.696 414 HB3 CYS 54 3HB CYS 54 20.733 -1.686 -2.124 415 H ASP 55 H ASP 55 20.079 0.241 -0.053 416 HA ASP 55 HA ASP 55 20.254 2.968 -0.877 417 HB2 ASP 55 2HB ASP 55 20.250 1.954 1.526 418 HB3 ASP 55 3HB ASP 55 21.984 1.781 1.269 Start of MODEL 19 1 H1 ALA 1 H ALA 1 0.288 -0.527 -2.827 2 HA ALA 1 HA ALA 1 1.984 1.030 -1.244 3 HB1 ALA 1 1HB ALA 1 -0.224 -0.067 -0.606 4 HB2 ALA 1 2HB ALA 1 0.721 -1.523 -0.291 5 HB3 ALA 1 3HB ALA 1 1.045 -0.047 0.618 6 H LYS 2 H LYS 2 4.143 0.846 -1.432 7 HA LYS 2 HA LYS 2 5.436 -1.716 -1.710 8 HB2 LYS 2 2HB LYS 2 7.522 -0.409 -1.721 9 HB3 LYS 2 3HB LYS 2 6.348 0.220 -2.870 10 HG2 LYS 2 2HG LYS 2 6.197 2.193 -1.825 11 HG3 LYS 2 3HG LYS 2 6.220 1.458 -0.220 12 HD2 LYS 2 2HD LYS 2 8.379 1.938 0.027 13 HD3 LYS 2 3HD LYS 2 8.777 1.142 -1.497 14 HE2 LYS 2 2HE LYS 2 9.432 3.531 -1.432 15 HE3 LYS 2 3HE LYS 2 8.302 3.150 -2.730 16 HZ1 LYS 2 3HZ LYS 2 6.951 3.923 -0.341 17 HZ2 LYS 2 1HZ LYS 2 6.818 4.558 -1.903 18 HZ3 LYS 2 2HZ LYS 2 8.021 5.126 -0.860 19 H TYR 3 H TYR 3 7.625 -1.737 -0.234 20 HA TYR 3 HA TYR 3 6.707 -1.512 2.557 21 HB2 TYR 3 2HB TYR 3 8.531 -3.685 1.525 22 HB3 TYR 3 3HB TYR 3 7.752 -3.591 3.100 23 HD1 TYR 3 HD1 TYR 3 7.440 -4.683 -0.317 24 HD2 TYR 3 HD2 TYR 3 5.252 -3.858 3.237 25 HE1 TYR 3 HE1 TYR 3 5.552 -6.002 -1.181 26 HE2 TYR 3 HE2 TYR 3 3.358 -5.175 2.384 27 HH TYR 3 HH TYR 3 2.531 -6.307 0.659 28 H THR 4 H THR 4 8.407 -1.275 4.149 29 HA THR 4 HA THR 4 10.880 -0.112 3.046 30 HB THR 4 HB THR 4 9.427 0.903 5.494 31 HG1 THR 4 HG1 THR 4 9.046 2.749 4.043 32 HG21 THR 4 3HG2 THR 4 11.983 1.586 4.131 33 HG22 THR 4 1HG2 THR 4 11.591 1.567 5.850 34 HG23 THR 4 2HG2 THR 4 11.039 2.899 4.834 35 H GLY 5 H GLY 5 12.749 -0.792 3.930 36 HA2 GLY 5 2HA GLY 5 12.905 -1.832 6.602 37 HA3 GLY 5 3HA GLY 5 12.996 -3.094 5.383 38 H LYS 6 H LYS 6 15.134 -3.457 6.347 39 HA LYS 6 HA LYS 6 17.137 -1.781 5.009 40 HB2 LYS 6 2HB LYS 6 17.849 -2.849 7.688 41 HB3 LYS 6 3HB LYS 6 18.375 -1.373 6.890 42 HG2 LYS 6 2HG LYS 6 15.876 -0.660 7.272 43 HG3 LYS 6 3HG LYS 6 15.959 -1.879 8.546 44 HD2 LYS 6 2HD LYS 6 18.065 -0.704 9.335 45 HD3 LYS 6 3HD LYS 6 17.630 0.606 8.234 46 HE2 LYS 6 2HE LYS 6 16.475 1.427 9.967 47 HE3 LYS 6 3HE LYS 6 15.288 0.183 9.578 48 HZ1 LYS 6 3HZ LYS 6 15.639 -0.253 11.770 49 HZ2 LYS 6 1HZ LYS 6 17.249 0.267 11.751 50 HZ3 LYS 6 2HZ LYS 6 16.841 -1.245 11.110 51 H CYS 7 H CYS 7 19.213 -2.855 4.717 52 HA CYS 7 HA CYS 7 18.887 -5.773 4.505 53 HB2 CYS 7 2HB CYS 7 21.006 -4.336 2.978 54 HB3 CYS 7 3HB CYS 7 20.068 -5.758 2.531 55 H THR 8 H THR 8 21.463 -6.551 4.099 56 HA THR 8 HA THR 8 22.943 -5.627 6.465 57 HB THR 8 HB THR 8 23.316 -8.470 5.997 58 HG1 THR 8 HG1 THR 8 20.705 -7.545 6.678 59 HG21 THR 8 3HG2 THR 8 22.679 -6.661 8.296 60 HG22 THR 8 1HG2 THR 8 24.097 -7.674 8.032 61 HG23 THR 8 2HG2 THR 8 22.560 -8.409 8.488 62 H LYS 9 H LYS 9 24.852 -4.907 5.814 63 HA LYS 9 HA LYS 9 25.976 -5.226 3.307 64 HB2 LYS 9 2HB LYS 9 27.954 -4.246 4.185 65 HB3 LYS 9 3HB LYS 9 26.614 -3.540 5.080 66 HG2 LYS 9 2HG LYS 9 27.831 -4.028 6.885 67 HG3 LYS 9 3HG LYS 9 27.249 -5.677 6.642 68 HD2 LYS 9 2HD LYS 9 29.567 -5.912 6.855 69 HD3 LYS 9 3HD LYS 9 29.287 -5.966 5.113 70 HE2 LYS 9 2HE LYS 9 30.593 -4.195 4.802 71 HE3 LYS 9 3HE LYS 9 29.654 -3.250 5.958 72 HZ1 LYS 9 3HZ LYS 9 31.674 -5.196 6.878 73 HZ2 LYS 9 1HZ LYS 9 31.035 -3.861 7.699 74 HZ3 LYS 9 2HZ LYS 9 32.124 -3.629 6.426 75 H SER 10 H SER 10 25.959 -7.404 5.971 76 HA SER 10 HA SER 10 28.222 -8.907 5.694 77 HB2 SER 10 2HB SER 10 26.836 -9.618 7.419 78 HB3 SER 10 3HB SER 10 25.398 -9.626 6.398 79 HG SER 10 HG SER 10 27.479 -11.521 6.549 80 H LYS 11 H LYS 11 25.201 -10.093 4.251 81 HA LYS 11 HA LYS 11 26.742 -10.872 1.863 82 HB2 LYS 11 2HB LYS 11 25.082 -12.812 1.721 83 HB3 LYS 11 3HB LYS 11 26.325 -12.911 2.961 84 HG2 LYS 11 2HG LYS 11 24.763 -12.263 4.662 85 HG3 LYS 11 3HG LYS 11 23.514 -11.954 3.453 86 HD2 LYS 11 2HD LYS 11 22.868 -14.048 4.028 87 HD3 LYS 11 3HD LYS 11 24.097 -14.500 2.845 88 HE2 LYS 11 2HE LYS 11 25.432 -14.111 5.294 89 HE3 LYS 11 3HE LYS 11 23.990 -15.058 5.653 90 HZ1 LYS 11 3HZ LYS 11 24.775 -16.828 4.544 91 HZ2 LYS 11 1HZ LYS 11 26.286 -16.105 4.786 92 HZ3 LYS 11 2HZ LYS 11 25.477 -15.903 3.315 93 H ASN 12 H ASN 12 24.684 -8.675 2.781 94 HA ASN 12 HA ASN 12 23.158 -7.359 1.724 95 HB2 ASN 12 2HB ASN 12 23.971 -7.065 -0.346 96 HB3 ASN 12 3HB ASN 12 24.551 -8.727 -0.426 97 HD21 ASN 12 2HD2 ASN 12 21.062 -7.633 -2.172 98 HD22 ASN 12 1HD2 ASN 12 21.946 -6.559 -1.147 99 H GLU 13 H GLU 13 21.084 -7.511 2.234 100 HA GLU 13 HA GLU 13 19.241 -9.189 0.979 101 HB2 GLU 13 2HB GLU 13 20.674 -10.456 3.123 102 HB3 GLU 13 3HB GLU 13 18.981 -10.290 3.567 103 HG2 GLU 13 2HG GLU 13 18.307 -11.448 1.552 104 HG3 GLU 13 3HG GLU 13 19.986 -11.555 1.028 105 H CYS 14 H CYS 14 17.913 -7.441 0.919 106 HA CYS 14 HA CYS 14 17.334 -5.896 3.282 107 HB2 CYS 14 2HB CYS 14 16.736 -5.727 0.403 108 HB3 CYS 14 3HB CYS 14 15.462 -5.116 1.453 109 H LYS 15 H LYS 15 16.088 -6.746 4.814 110 HA LYS 15 HA LYS 15 14.073 -8.716 4.231 111 HB2 LYS 15 2HB LYS 15 15.333 -8.921 6.283 112 HB3 LYS 15 3HB LYS 15 14.847 -7.309 6.791 113 HG2 LYS 15 2HG LYS 15 12.685 -9.250 6.239 114 HG3 LYS 15 3HG LYS 15 13.668 -9.520 7.680 115 HD2 LYS 15 2HD LYS 15 12.654 -6.771 7.185 116 HD3 LYS 15 3HD LYS 15 11.497 -7.992 7.719 117 HE2 LYS 15 2HE LYS 15 12.809 -8.446 9.684 118 HE3 LYS 15 3HE LYS 15 14.097 -7.383 9.120 119 HZ1 LYS 15 3HZ LYS 15 12.961 -5.539 9.716 120 HZ2 LYS 15 1HZ LYS 15 12.245 -6.598 10.824 121 HZ3 LYS 15 2HZ LYS 15 11.443 -6.208 9.388 122 H TYR 16 H TYR 16 11.835 -8.511 4.585 123 HA TYR 16 HA TYR 16 10.602 -6.059 5.320 124 HB2 TYR 16 2HB TYR 16 9.782 -5.271 3.254 125 HB3 TYR 16 3HB TYR 16 11.485 -5.605 2.961 126 HD1 TYR 16 HD1 TYR 16 8.199 -6.108 1.784 127 HD2 TYR 16 HD2 TYR 16 12.011 -7.986 1.995 128 HE1 TYR 16 HE1 TYR 16 7.581 -7.561 -0.102 129 HE2 TYR 16 HE2 TYR 16 11.404 -9.443 0.109 130 HH TYR 16 HH TYR 16 9.685 -10.175 -1.173 131 H LYS 17 H LYS 17 8.170 -6.244 4.132 132 HA LYS 17 HA LYS 17 7.252 -8.933 4.917 133 HB2 LYS 17 2HB LYS 17 5.057 -7.756 5.410 134 HB3 LYS 17 3HB LYS 17 6.389 -7.401 6.501 135 HG2 LYS 17 2HG LYS 17 6.364 -5.533 4.319 136 HG3 LYS 17 3HG LYS 17 4.789 -5.582 5.114 137 HD2 LYS 17 2HD LYS 17 5.869 -5.207 7.277 138 HD3 LYS 17 3HD LYS 17 7.447 -5.169 6.486 139 HE2 LYS 17 2HE LYS 17 6.811 -3.199 5.236 140 HE3 LYS 17 3HE LYS 17 5.179 -3.269 5.899 141 HZ1 LYS 17 3HZ LYS 17 7.550 -2.154 7.037 142 HZ2 LYS 17 1HZ LYS 17 6.801 -3.242 8.094 143 HZ3 LYS 17 2HZ LYS 17 5.934 -1.926 7.481 144 H ASN 18 H ASN 18 6.058 -10.085 3.513 145 HA ASN 18 HA ASN 18 5.229 -8.749 1.020 146 HB2 ASN 18 2HB ASN 18 5.648 -10.835 -0.163 147 HB3 ASN 18 3HB ASN 18 7.102 -10.338 0.697 148 HD21 ASN 18 2HD2 ASN 18 7.154 -13.075 2.870 149 HD22 ASN 18 1HD2 ASN 18 7.723 -11.473 2.563 150 H ASP 19 H ASP 19 4.470 -11.294 3.354 151 HA ASP 19 HA ASP 19 1.774 -11.539 2.244 152 HB2 ASP 19 2HB ASP 19 3.505 -13.425 3.243 153 HB3 ASP 19 3HB ASP 19 2.425 -13.152 4.607 154 H ALA 20 H ALA 20 2.516 -9.112 3.581 155 HA ALA 20 HA ALA 20 1.483 -7.617 4.967 156 HB1 ALA 20 1HB ALA 20 -0.295 -9.765 6.056 157 HB2 ALA 20 2HB ALA 20 -0.627 -8.047 5.832 158 HB3 ALA 20 3HB ALA 20 -0.550 -9.120 4.434 159 H GLY 21 H GLY 21 3.690 -9.525 5.729 160 HA2 GLY 21 2HA GLY 21 4.506 -8.612 8.108 161 HA3 GLY 21 3HA GLY 21 3.341 -9.834 8.598 162 H LYS 22 H LYS 22 4.173 -11.331 6.042 163 HA LYS 22 HA LYS 22 5.939 -13.136 7.270 164 HB2 LYS 22 2HB LYS 22 4.861 -12.747 4.526 165 HB3 LYS 22 3HB LYS 22 6.290 -13.760 4.691 166 HG2 LYS 22 2HG LYS 22 3.998 -14.889 4.748 167 HG3 LYS 22 3HG LYS 22 5.175 -15.340 5.984 168 HD2 LYS 22 2HD LYS 22 4.068 -14.121 7.646 169 HD3 LYS 22 3HD LYS 22 3.159 -13.170 6.470 170 HE2 LYS 22 2HE LYS 22 1.523 -14.687 6.364 171 HE3 LYS 22 3HE LYS 22 2.664 -16.024 6.222 172 HZ1 LYS 22 3HZ LYS 22 2.791 -16.266 8.505 173 HZ2 LYS 22 1HZ LYS 22 1.154 -15.905 8.274 174 HZ3 LYS 22 2HZ LYS 22 2.215 -14.707 8.822 175 H ASP 23 H ASP 23 7.891 -12.458 7.939 176 HA ASP 23 HA ASP 23 9.475 -10.519 6.641 177 HB2 ASP 23 2HB ASP 23 10.616 -12.652 8.429 178 HB3 ASP 23 3HB ASP 23 11.118 -10.973 8.259 179 H THR 24 H THR 24 10.367 -10.727 4.705 180 HA THR 24 HA THR 24 11.778 -13.219 4.063 181 HB THR 24 HB THR 24 9.893 -11.781 2.186 182 HG1 THR 24 HG1 THR 24 9.798 -14.470 3.113 183 HG21 THR 24 3HG2 THR 24 10.466 -13.729 0.668 184 HG22 THR 24 1HG2 THR 24 11.829 -14.046 1.740 185 HG23 THR 24 2HG2 THR 24 11.727 -12.514 0.873 186 H PHE 25 H PHE 25 13.738 -12.923 3.177 187 HA PHE 25 HA PHE 25 14.671 -10.200 2.818 188 HB2 PHE 25 2HB PHE 25 16.316 -12.689 2.411 189 HB3 PHE 25 3HB PHE 25 16.861 -11.080 2.874 190 HD1 PHE 25 HD1 PHE 25 14.967 -10.448 5.045 191 HD2 PHE 25 HD2 PHE 25 17.043 -14.053 4.142 192 HE1 PHE 25 HE1 PHE 25 14.867 -11.097 7.417 193 HE2 PHE 25 HE2 PHE 25 16.945 -14.707 6.511 194 HZ PHE 25 HZ PHE 25 15.855 -13.229 8.152 195 H ILE 26 H ILE 26 16.237 -9.839 0.928 196 HA ILE 26 HA ILE 26 15.990 -11.259 -1.476 197 HB ILE 26 HB ILE 26 13.681 -10.537 -1.511 198 HG12 ILE 26 2HG1 ILE 26 13.662 -9.330 -3.658 199 HG13 ILE 26 3HG1 ILE 26 15.360 -8.918 -3.441 200 HG21 ILE 26 1HG2 ILE 26 14.058 -7.699 -1.842 201 HG22 ILE 26 2HG2 ILE 26 12.988 -8.570 -0.745 202 HG23 ILE 26 3HG2 ILE 26 14.654 -8.238 -0.273 203 HD11 ILE 26 3HD1 ILE 26 14.398 -11.073 -4.815 204 HD12 ILE 26 1HD1 ILE 26 16.041 -10.896 -4.198 205 HD13 ILE 26 2HD1 ILE 26 14.835 -11.775 -3.257 206 H LYS 27 H LYS 27 17.773 -10.755 -2.548 207 HA LYS 27 HA LYS 27 19.314 -8.438 -1.878 208 HB2 LYS 27 2HB LYS 27 20.852 -9.276 -3.662 209 HB3 LYS 27 3HB LYS 27 20.487 -10.461 -2.415 210 HG2 LYS 27 2HG LYS 27 18.977 -11.618 -3.857 211 HG3 LYS 27 3HG LYS 27 19.090 -10.348 -5.078 212 HD2 LYS 27 2HD LYS 27 21.724 -11.124 -4.616 213 HD3 LYS 27 3HD LYS 27 20.806 -12.632 -4.624 214 HE2 LYS 27 2HE LYS 27 19.712 -11.607 -6.765 215 HE3 LYS 27 3HE LYS 27 21.165 -10.610 -6.794 216 HZ1 LYS 27 3HZ LYS 27 21.763 -12.421 -8.062 217 HZ2 LYS 27 1HZ LYS 27 20.915 -13.528 -7.103 218 HZ3 LYS 27 2HZ LYS 27 22.366 -12.862 -6.544 219 H CYS 28 H CYS 28 19.757 -6.634 -3.111 220 HA CYS 28 HA CYS 28 17.761 -5.470 -4.589 221 HB2 CYS 28 2HB CYS 28 20.148 -4.618 -3.686 222 HB3 CYS 28 3HB CYS 28 20.529 -4.771 -5.398 223 HA PRO 29 HA PRO 29 18.016 -8.065 -8.258 224 HB2 PRO 29 2HB PRO 29 15.695 -7.157 -9.334 225 HB3 PRO 29 3HB PRO 29 15.749 -8.372 -8.051 226 HG2 PRO 29 2HG PRO 29 15.235 -5.430 -7.852 227 HG3 PRO 29 3HG PRO 29 14.408 -6.768 -7.033 228 HD2 PRO 29 2HD PRO 29 16.298 -5.259 -5.814 229 HD3 PRO 29 3HD PRO 29 16.058 -6.978 -5.437 230 H LYS 30 H LYS 30 17.173 -4.614 -8.251 231 HA LYS 30 HA LYS 30 17.600 -4.017 -10.916 232 HB2 LYS 30 2HB LYS 30 17.205 -2.571 -8.525 233 HB3 LYS 30 3HB LYS 30 18.644 -1.895 -9.277 234 HG2 LYS 30 2HG LYS 30 16.027 -2.270 -10.713 235 HG3 LYS 30 3HG LYS 30 16.507 -0.776 -9.905 236 HD2 LYS 30 2HD LYS 30 18.448 -0.590 -11.359 237 HD3 LYS 30 3HD LYS 30 18.035 -2.121 -12.134 238 HE2 LYS 30 2HE LYS 30 15.791 -0.998 -12.687 239 HE3 LYS 30 3HE LYS 30 16.604 0.513 -12.282 240 HZ1 LYS 30 3HZ LYS 30 16.592 -0.394 -14.718 241 HZ2 LYS 30 1HZ LYS 30 17.904 -1.312 -14.172 242 HZ3 LYS 30 2HZ LYS 30 17.962 0.377 -14.093 243 H PHE 31 H PHE 31 19.984 -3.481 -8.313 244 HA PHE 31 HA PHE 31 22.106 -3.841 -10.324 245 HB2 PHE 31 2HB PHE 31 22.832 -2.567 -7.769 246 HB3 PHE 31 3HB PHE 31 23.270 -2.123 -9.415 247 HD1 PHE 31 HD1 PHE 31 20.707 -1.801 -6.799 248 HD2 PHE 31 HD2 PHE 31 22.021 -0.505 -10.635 249 HE1 PHE 31 HE1 PHE 31 19.097 0.058 -6.719 250 HE2 PHE 31 HE2 PHE 31 20.414 1.356 -10.560 251 HZ PHE 31 HZ PHE 31 18.950 1.640 -8.600 252 H ASP 32 H ASP 32 22.689 -5.932 -10.190 253 HA ASP 32 HA ASP 32 22.755 -7.377 -7.720 254 HB2 ASP 32 2HB ASP 32 22.419 -8.247 -10.170 255 HB3 ASP 32 3HB ASP 32 24.180 -8.307 -10.188 256 H ASN 33 H ASN 33 24.799 -5.116 -9.044 257 HA ASN 33 HA ASN 33 27.134 -6.228 -7.632 258 HB2 ASN 33 2HB ASN 33 26.894 -5.221 -10.278 259 HB3 ASN 33 3HB ASN 33 27.882 -4.081 -9.369 260 HD21 ASN 33 2HD2 ASN 33 30.271 -6.741 -8.536 261 HD22 ASN 33 1HD2 ASN 33 29.257 -5.642 -7.670 262 H LYS 34 H LYS 34 24.936 -3.585 -7.916 263 HA LYS 34 HA LYS 34 26.489 -2.055 -5.933 264 HB2 LYS 34 2HB LYS 34 24.280 -0.944 -7.656 265 HB3 LYS 34 3HB LYS 34 25.492 -0.057 -6.741 266 HG2 LYS 34 2HG LYS 34 26.048 -1.779 -9.148 267 HG3 LYS 34 3HG LYS 34 25.923 -0.018 -9.152 268 HD2 LYS 34 2HD LYS 34 27.748 -0.328 -7.212 269 HD3 LYS 34 3HD LYS 34 28.093 -1.772 -8.167 270 HE2 LYS 34 2HE LYS 34 27.914 0.055 -10.133 271 HE3 LYS 34 3HE LYS 34 28.488 1.081 -8.819 272 HZ1 LYS 34 3HZ LYS 34 30.511 0.320 -9.234 273 HZ2 LYS 34 1HZ LYS 34 29.931 -0.791 -10.370 274 HZ3 LYS 34 2HZ LYS 34 30.018 -1.220 -8.736 275 H LYS 35 H LYS 35 24.541 -4.316 -5.560 276 HA LYS 35 HA LYS 35 22.113 -3.374 -4.526 277 HB2 LYS 35 2HB LYS 35 21.976 -5.529 -3.362 278 HB3 LYS 35 3HB LYS 35 22.501 -5.733 -5.028 279 HG2 LYS 35 2HG LYS 35 24.843 -5.448 -3.519 280 HG3 LYS 35 3HG LYS 35 23.796 -6.533 -2.601 281 HD2 LYS 35 2HD LYS 35 24.155 -6.942 -5.541 282 HD3 LYS 35 3HD LYS 35 25.399 -7.497 -4.418 283 HE2 LYS 35 2HE LYS 35 24.103 -9.158 -3.598 284 HE3 LYS 35 3HE LYS 35 22.623 -8.207 -3.720 285 HZ1 LYS 35 3HZ LYS 35 23.714 -8.870 -6.281 286 HZ2 LYS 35 1HZ LYS 35 22.149 -9.106 -5.682 287 HZ3 LYS 35 2HZ LYS 35 23.357 -10.248 -5.367 288 H CYS 36 H CYS 36 21.771 -4.168 -1.987 289 HA CYS 36 HA CYS 36 22.598 -2.041 -0.442 290 HB2 CYS 36 2HB CYS 36 21.573 -4.775 0.183 291 HB3 CYS 36 3HB CYS 36 22.212 -3.802 1.504 292 H THR 37 H THR 37 24.443 -1.464 0.494 293 HA THR 37 HA THR 37 26.483 -3.527 0.992 294 HB THR 37 HB THR 37 28.239 -1.916 0.345 295 HG1 THR 37 HG1 THR 37 26.131 -0.336 -0.732 296 HG21 THR 37 3HG2 THR 37 26.723 -3.476 -1.305 297 HG22 THR 37 1HG2 THR 37 28.194 -2.633 -1.788 298 HG23 THR 37 2HG2 THR 37 26.618 -1.905 -2.100 299 H LYS 38 H LYS 38 24.559 -2.336 2.807 300 HA LYS 38 HA LYS 38 26.433 -1.438 4.833 301 HB2 LYS 38 2HB LYS 38 24.749 0.403 3.425 302 HB3 LYS 38 3HB LYS 38 24.212 0.304 5.097 303 HG2 LYS 38 2HG LYS 38 27.120 0.585 4.639 304 HG3 LYS 38 3HG LYS 38 26.107 1.985 4.282 305 HD2 LYS 38 2HD LYS 38 25.493 0.660 6.825 306 HD3 LYS 38 3HD LYS 38 27.110 1.365 6.742 307 HE2 LYS 38 2HE LYS 38 26.293 3.514 6.428 308 HE3 LYS 38 3HE LYS 38 24.727 2.942 5.854 309 HZ1 LYS 38 3HZ LYS 38 25.033 2.003 8.449 310 HZ2 LYS 38 1HZ LYS 38 23.966 3.197 7.901 311 HZ3 LYS 38 2HZ LYS 38 25.497 3.630 8.475 312 H ASP 39 H ASP 39 25.503 -1.453 6.993 313 HA ASP 39 HA ASP 39 23.420 -3.493 7.213 314 HB2 ASP 39 2HB ASP 39 25.543 -2.464 9.071 315 HB3 ASP 39 3HB ASP 39 24.166 -3.361 9.704 316 H ASN 40 H ASN 40 21.414 -3.043 7.846 317 HA ASN 40 HA ASN 40 19.592 -1.934 8.637 318 HB2 ASN 40 2HB ASN 40 21.368 -0.104 10.222 319 HB3 ASN 40 3HB ASN 40 19.777 -0.735 10.636 320 HD21 ASN 40 2HD2 ASN 40 23.118 -2.671 11.725 321 HD22 ASN 40 1HD2 ASN 40 23.130 -1.159 10.889 322 H ASN 41 H ASN 41 21.002 -1.032 6.249 323 HA ASN 41 HA ASN 41 21.003 1.812 6.162 324 HB2 ASN 41 2HB ASN 41 21.253 1.543 3.744 325 HB3 ASN 41 3HB ASN 41 22.329 0.442 4.601 326 HD21 ASN 41 2HD2 ASN 41 20.991 -2.429 3.224 327 HD22 ASN 41 1HD2 ASN 41 22.170 -1.687 4.246 328 H LYS 42 H LYS 42 19.627 2.545 3.941 329 HA LYS 42 HA LYS 42 16.831 2.142 4.770 330 HB2 LYS 42 2HB LYS 42 17.952 4.474 4.821 331 HB3 LYS 42 3HB LYS 42 17.796 4.427 3.070 332 HG2 LYS 42 2HG LYS 42 15.307 3.715 4.322 333 HG3 LYS 42 3HG LYS 42 15.891 5.268 4.924 334 HD2 LYS 42 2HD LYS 42 16.349 5.624 2.314 335 HD3 LYS 42 3HD LYS 42 15.002 4.490 2.208 336 HE2 LYS 42 2HE LYS 42 13.909 6.091 3.965 337 HE3 LYS 42 3HE LYS 42 15.080 7.251 3.341 338 HZ1 LYS 42 3HZ LYS 42 13.188 5.746 1.623 339 HZ2 LYS 42 1HZ LYS 42 14.177 7.042 1.170 340 HZ3 LYS 42 2HZ LYS 42 12.878 7.297 2.222 341 H CYS 43 H CYS 43 15.871 0.675 3.519 342 HA CYS 43 HA CYS 43 15.968 1.041 0.623 343 HB2 CYS 43 2HB CYS 43 16.463 -1.246 0.147 344 HB3 CYS 43 3HB CYS 43 17.687 -0.685 1.283 345 H THR 44 H THR 44 14.092 0.512 -0.419 346 HA THR 44 HA THR 44 11.906 -0.536 1.260 347 HB THR 44 HB THR 44 10.471 0.852 -0.475 348 HG1 THR 44 HG1 THR 44 11.712 2.070 -1.675 349 HG21 THR 44 3HG2 THR 44 9.990 1.616 1.583 350 HG22 THR 44 1HG2 THR 44 11.138 2.903 1.214 351 HG23 THR 44 2HG2 THR 44 11.664 1.486 2.123 352 H VAL 45 H VAL 45 11.075 -2.383 0.557 353 HA VAL 45 HA VAL 45 11.755 -3.387 -2.070 354 HB VAL 45 HB VAL 45 10.110 -4.636 0.135 355 HG11 VAL 45 1HG1 VAL 45 9.397 -5.923 -1.577 356 HG12 VAL 45 2HG1 VAL 45 10.758 -5.487 -2.613 357 HG13 VAL 45 3HG1 VAL 45 10.960 -6.708 -1.357 358 HG21 VAL 45 3HG2 VAL 45 12.003 -5.422 1.040 359 HG22 VAL 45 1HG2 VAL 45 12.703 -5.801 -0.534 360 HG23 VAL 45 2HG2 VAL 45 12.809 -4.161 0.106 361 H ASP 46 H ASP 46 10.431 -3.592 -3.791 362 HA ASP 46 HA ASP 46 7.641 -2.696 -3.467 363 HB2 ASP 46 2HB ASP 46 9.726 -1.681 -5.175 364 HB3 ASP 46 3HB ASP 46 8.401 -2.304 -6.154 365 H THR 47 H THR 47 6.578 -4.608 -3.420 366 HA THR 47 HA THR 47 7.270 -6.874 -4.972 367 HB THR 47 HB THR 47 5.991 -7.141 -2.926 368 HG1 THR 47 HG1 THR 47 4.663 -8.687 -3.726 369 HG21 THR 47 3HG2 THR 47 3.918 -5.503 -4.371 370 HG22 THR 47 1HG2 THR 47 4.678 -5.170 -2.816 371 HG23 THR 47 2HG2 THR 47 3.536 -6.505 -2.972 372 H TYR 48 H TYR 48 5.714 -3.983 -5.781 373 HA TYR 48 HA TYR 48 3.769 -4.687 -7.604 374 HB2 TYR 48 2HB TYR 48 4.322 -2.362 -6.889 375 HB3 TYR 48 3HB TYR 48 5.737 -2.414 -7.934 376 HD1 TYR 48 HD1 TYR 48 5.482 -2.416 -10.374 377 HD2 TYR 48 HD2 TYR 48 2.109 -2.094 -7.801 378 HE1 TYR 48 HE1 TYR 48 4.118 -1.641 -12.269 379 HE2 TYR 48 HE2 TYR 48 0.735 -1.319 -9.688 380 HH TYR 48 HH TYR 48 2.138 -0.553 -12.789 381 H ASN 49 H ASN 49 7.256 -4.311 -8.180 382 HA ASN 49 HA ASN 49 7.022 -6.127 -10.459 383 HB2 ASN 49 2HB ASN 49 8.088 -4.713 -12.001 384 HB3 ASN 49 3HB ASN 49 6.939 -3.655 -11.187 385 HD21 ASN 49 2HD2 ASN 49 9.466 -1.899 -9.366 386 HD22 ASN 49 1HD2 ASN 49 7.883 -2.567 -9.185 387 H ASN 50 H ASN 50 8.141 -6.176 -7.689 388 HA ASN 50 HA ASN 50 9.992 -6.895 -6.571 389 HB2 ASN 50 2HB ASN 50 10.360 -8.168 -9.280 390 HB3 ASN 50 3HB ASN 50 11.463 -8.483 -7.944 391 HD21 ASN 50 2HD2 ASN 50 8.384 -10.793 -8.247 392 HD22 ASN 50 1HD2 ASN 50 9.265 -9.997 -9.502 393 H ALA 51 H ALA 51 10.915 -4.850 -6.220 394 HA ALA 51 HA ALA 51 13.544 -4.540 -7.265 395 HB1 ALA 51 1HB ALA 51 11.881 -2.169 -7.939 396 HB2 ALA 51 2HB ALA 51 13.373 -2.752 -8.677 397 HB3 ALA 51 3HB ALA 51 11.844 -3.558 -9.026 398 H VAL 52 H VAL 52 14.434 -4.225 -5.315 399 HA VAL 52 HA VAL 52 13.159 -2.507 -3.352 400 HB VAL 52 HB VAL 52 14.326 -4.694 -2.785 401 HG11 VAL 52 1HG1 VAL 52 16.344 -4.038 -4.231 402 HG12 VAL 52 2HG1 VAL 52 16.851 -3.077 -2.841 403 HG13 VAL 52 3HG1 VAL 52 16.653 -4.823 -2.683 404 HG21 VAL 52 3HG2 VAL 52 15.338 -2.294 -1.272 405 HG22 VAL 52 1HG2 VAL 52 13.681 -2.888 -1.163 406 HG23 VAL 52 2HG2 VAL 52 15.020 -3.912 -0.645 407 H ASP 53 H ASP 53 14.053 -0.626 -2.496 408 HA ASP 53 HA ASP 53 15.826 0.795 -4.325 409 HB2 ASP 53 2HB ASP 53 13.908 1.603 -2.182 410 HB3 ASP 53 3HB ASP 53 15.221 2.702 -2.595 411 H CYS 54 H CYS 54 17.450 -0.909 -3.359 412 HA CYS 54 HA CYS 54 18.524 -0.575 -0.801 413 HB2 CYS 54 2HB CYS 54 20.595 -1.604 -1.785 414 HB3 CYS 54 3HB CYS 54 19.116 -2.512 -2.083 415 H ASP 55 H ASP 55 20.044 0.749 0.066 416 HA ASP 55 HA ASP 55 20.391 3.322 -0.894 417 HB2 ASP 55 2HB ASP 55 21.362 1.761 1.316 418 HB3 ASP 55 3HB ASP 55 22.676 2.733 0.661 Start of MODEL 20 1 H1 ALA 1 H ALA 1 1.295 -1.532 -0.972 2 HA ALA 1 HA ALA 1 1.940 -1.375 -3.166 3 HB1 ALA 1 1HB ALA 1 2.516 1.546 -2.778 4 HB2 ALA 1 2HB ALA 1 2.104 0.692 -4.265 5 HB3 ALA 1 3HB ALA 1 0.879 0.936 -3.020 6 H LYS 2 H LYS 2 3.886 0.550 -0.907 7 HA LYS 2 HA LYS 2 6.282 -0.793 -1.965 8 HB2 LYS 2 2HB LYS 2 6.272 1.508 -2.771 9 HB3 LYS 2 3HB LYS 2 6.040 2.104 -1.133 10 HG2 LYS 2 2HG LYS 2 8.312 2.421 -1.589 11 HG3 LYS 2 3HG LYS 2 8.247 0.980 -0.572 12 HD2 LYS 2 2HD LYS 2 9.519 0.028 -2.151 13 HD3 LYS 2 3HD LYS 2 8.030 -0.068 -3.096 14 HE2 LYS 2 2HE LYS 2 8.610 1.690 -4.439 15 HE3 LYS 2 3HE LYS 2 9.592 2.459 -3.194 16 HZ1 LYS 2 3HZ LYS 2 10.366 0.604 -5.233 17 HZ2 LYS 2 1HZ LYS 2 10.894 0.126 -3.698 18 HZ3 LYS 2 2HZ LYS 2 11.322 1.645 -4.305 19 H TYR 3 H TYR 3 7.377 -1.876 -0.470 20 HA TYR 3 HA TYR 3 6.759 -1.387 2.351 21 HB2 TYR 3 2HB TYR 3 8.230 -3.710 1.089 22 HB3 TYR 3 3HB TYR 3 7.714 -3.592 2.767 23 HD1 TYR 3 HD1 TYR 3 6.892 -4.879 -0.387 24 HD2 TYR 3 HD2 TYR 3 5.114 -3.167 3.079 25 HE1 TYR 3 HE1 TYR 3 4.745 -5.919 -0.982 26 HE2 TYR 3 HE2 TYR 3 2.962 -4.204 2.494 27 HH TYR 3 HH TYR 3 1.858 -5.020 0.269 28 H THR 4 H THR 4 8.172 -0.477 3.692 29 HA THR 4 HA THR 4 10.864 0.103 2.688 30 HB THR 4 HB THR 4 9.572 1.276 5.150 31 HG1 THR 4 HG1 THR 4 8.549 2.667 3.900 32 HG21 THR 4 3HG2 THR 4 11.213 3.015 4.916 33 HG22 THR 4 1HG2 THR 4 11.770 2.348 3.382 34 HG23 THR 4 2HG2 THR 4 12.048 1.462 4.882 35 H GLY 5 H GLY 5 12.637 -0.801 3.539 36 HA2 GLY 5 2HA GLY 5 12.578 -1.897 6.238 37 HA3 GLY 5 3HA GLY 5 12.830 -3.054 4.940 38 H LYS 6 H LYS 6 14.896 -3.601 5.651 39 HA LYS 6 HA LYS 6 16.950 -1.659 4.909 40 HB2 LYS 6 2HB LYS 6 17.213 -3.237 7.460 41 HB3 LYS 6 3HB LYS 6 18.197 -1.888 6.908 42 HG2 LYS 6 2HG LYS 6 16.927 -0.814 8.451 43 HG3 LYS 6 3HG LYS 6 15.883 -0.615 7.041 44 HD2 LYS 6 2HD LYS 6 14.314 -2.047 7.837 45 HD3 LYS 6 3HD LYS 6 15.506 -3.085 8.623 46 HE2 LYS 6 2HE LYS 6 15.688 -1.626 10.478 47 HE3 LYS 6 3HE LYS 6 14.814 -0.341 9.644 48 HZ1 LYS 6 3HZ LYS 6 12.840 -1.811 9.663 49 HZ2 LYS 6 1HZ LYS 6 13.358 -1.363 11.211 50 HZ3 LYS 6 2HZ LYS 6 13.698 -2.912 10.621 51 H CYS 7 H CYS 7 19.060 -2.644 4.556 52 HA CYS 7 HA CYS 7 18.791 -5.441 3.691 53 HB2 CYS 7 2HB CYS 7 19.598 -3.247 2.250 54 HB3 CYS 7 3HB CYS 7 21.135 -3.950 2.744 55 H THR 8 H THR 8 21.424 -6.128 3.401 56 HA THR 8 HA THR 8 22.799 -5.656 5.916 57 HB THR 8 HB THR 8 22.973 -8.415 5.761 58 HG1 THR 8 HG1 THR 8 21.178 -8.550 4.394 59 HG21 THR 8 3HG2 THR 8 20.880 -7.344 7.542 60 HG22 THR 8 1HG2 THR 8 22.457 -6.566 7.663 61 HG23 THR 8 2HG2 THR 8 22.310 -8.304 7.921 62 H LYS 9 H LYS 9 24.789 -5.186 5.268 63 HA LYS 9 HA LYS 9 25.909 -5.798 2.795 64 HB2 LYS 9 2HB LYS 9 28.040 -5.094 3.754 65 HB3 LYS 9 3HB LYS 9 26.747 -4.015 4.261 66 HG2 LYS 9 2HG LYS 9 27.661 -4.281 6.290 67 HG3 LYS 9 3HG LYS 9 26.735 -5.784 6.300 68 HD2 LYS 9 2HD LYS 9 28.781 -6.871 5.252 69 HD3 LYS 9 3HD LYS 9 29.650 -5.392 5.668 70 HE2 LYS 9 2HE LYS 9 28.175 -6.263 7.946 71 HE3 LYS 9 3HE LYS 9 29.089 -7.630 7.311 72 HZ1 LYS 9 3HZ LYS 9 30.071 -5.689 8.932 73 HZ2 LYS 9 1HZ LYS 9 30.617 -5.204 7.406 74 HZ3 LYS 9 2HZ LYS 9 31.000 -6.744 7.991 75 H SER 10 H SER 10 25.557 -7.750 5.591 76 HA SER 10 HA SER 10 27.680 -9.494 5.491 77 HB2 SER 10 2HB SER 10 24.795 -9.850 6.232 78 HB3 SER 10 3HB SER 10 25.873 -11.246 6.215 79 HG SER 10 HG SER 10 27.261 -9.984 7.628 80 H LYS 11 H LYS 11 24.539 -10.471 4.151 81 HA LYS 11 HA LYS 11 25.985 -11.704 1.897 82 HB2 LYS 11 2HB LYS 11 24.041 -13.338 1.857 83 HB3 LYS 11 3HB LYS 11 25.154 -13.488 3.210 84 HG2 LYS 11 2HG LYS 11 23.619 -12.424 4.689 85 HG3 LYS 11 3HG LYS 11 22.552 -11.986 3.353 86 HD2 LYS 11 2HD LYS 11 21.670 -14.073 3.198 87 HD3 LYS 11 3HD LYS 11 23.177 -14.862 3.667 88 HE2 LYS 11 2HE LYS 11 22.771 -14.035 6.000 89 HE3 LYS 11 3HE LYS 11 21.178 -13.500 5.465 90 HZ1 LYS 11 3HZ LYS 11 21.675 -16.207 4.733 91 HZ2 LYS 11 1HZ LYS 11 20.395 -15.555 5.627 92 HZ3 LYS 11 2HZ LYS 11 21.834 -15.990 6.403 93 H ASN 12 H ASN 12 24.228 -9.125 2.554 94 HA ASN 12 HA ASN 12 22.936 -7.698 1.343 95 HB2 ASN 12 2HB ASN 12 24.230 -7.672 -0.541 96 HB3 ASN 12 3HB ASN 12 24.184 -9.423 -0.726 97 HD21 ASN 12 2HD2 ASN 12 21.456 -7.045 -2.555 98 HD22 ASN 12 1HD2 ASN 12 22.554 -6.425 -1.375 99 H GLU 13 H GLU 13 20.868 -7.785 1.941 100 HA GLU 13 HA GLU 13 18.930 -9.129 0.412 101 HB2 GLU 13 2HB GLU 13 20.131 -10.787 2.331 102 HB3 GLU 13 3HB GLU 13 18.574 -10.337 3.012 103 HG2 GLU 13 2HG GLU 13 17.409 -11.216 1.135 104 HG3 GLU 13 3HG GLU 13 18.910 -11.453 0.242 105 H CYS 14 H CYS 14 17.478 -7.548 0.438 106 HA CYS 14 HA CYS 14 17.077 -5.913 2.791 107 HB2 CYS 14 2HB CYS 14 17.091 -4.832 0.611 108 HB3 CYS 14 3HB CYS 14 15.767 -5.856 0.065 109 H LYS 15 H LYS 15 15.627 -6.302 4.318 110 HA LYS 15 HA LYS 15 13.601 -8.354 3.872 111 HB2 LYS 15 2HB LYS 15 14.895 -8.616 5.880 112 HB3 LYS 15 3HB LYS 15 14.572 -6.957 6.367 113 HG2 LYS 15 2HG LYS 15 12.241 -8.743 5.964 114 HG3 LYS 15 3HG LYS 15 13.255 -9.018 7.383 115 HD2 LYS 15 2HD LYS 15 12.532 -6.210 6.869 116 HD3 LYS 15 3HD LYS 15 11.190 -7.271 7.304 117 HE2 LYS 15 2HE LYS 15 12.502 -8.013 9.282 118 HE3 LYS 15 3HE LYS 15 13.727 -6.815 8.869 119 HZ1 LYS 15 3HZ LYS 15 11.214 -6.463 10.191 120 HZ2 LYS 15 1HZ LYS 15 11.401 -5.400 8.888 121 HZ3 LYS 15 2HZ LYS 15 12.552 -5.430 10.127 122 H TYR 16 H TYR 16 11.392 -8.030 4.274 123 HA TYR 16 HA TYR 16 10.382 -5.407 4.898 124 HB2 TYR 16 2HB TYR 16 9.271 -4.958 2.831 125 HB3 TYR 16 3HB TYR 16 10.955 -5.294 2.445 126 HD1 TYR 16 HD1 TYR 16 11.538 -7.652 1.636 127 HD2 TYR 16 HD2 TYR 16 7.553 -6.169 1.802 128 HE1 TYR 16 HE1 TYR 16 10.831 -9.388 0.044 129 HE2 TYR 16 HE2 TYR 16 6.836 -7.902 0.212 130 HH TYR 16 HH TYR 16 8.835 -9.583 -1.700 131 H LYS 17 H LYS 17 7.810 -5.624 4.016 132 HA LYS 17 HA LYS 17 6.871 -8.108 5.296 133 HB2 LYS 17 2HB LYS 17 4.857 -6.747 5.975 134 HB3 LYS 17 3HB LYS 17 6.362 -6.314 6.775 135 HG2 LYS 17 2HG LYS 17 6.105 -4.744 4.416 136 HG3 LYS 17 3HG LYS 17 4.600 -4.649 5.332 137 HD2 LYS 17 2HD LYS 17 5.830 -2.940 6.277 138 HD3 LYS 17 3HD LYS 17 6.190 -4.281 7.367 139 HE2 LYS 17 2HE LYS 17 8.260 -4.712 6.080 140 HE3 LYS 17 3HE LYS 17 7.908 -3.295 5.092 141 HZ1 LYS 17 3HZ LYS 17 7.768 -2.516 7.764 142 HZ2 LYS 17 1HZ LYS 17 8.916 -2.060 6.607 143 HZ3 LYS 17 2HZ LYS 17 9.193 -3.411 7.587 144 H ASN 18 H ASN 18 5.493 -9.346 4.179 145 HA ASN 18 HA ASN 18 4.375 -8.242 1.686 146 HB2 ASN 18 2HB ASN 18 4.265 -10.912 1.269 147 HB3 ASN 18 3HB ASN 18 5.635 -9.911 0.798 148 HD21 ASN 18 2HD2 ASN 18 6.051 -12.814 3.519 149 HD22 ASN 18 1HD2 ASN 18 4.590 -12.529 2.642 150 H ASP 19 H ASP 19 3.681 -11.166 3.585 151 HA ASP 19 HA ASP 19 0.935 -11.155 3.114 152 HB2 ASP 19 2HB ASP 19 2.525 -12.353 5.387 153 HB3 ASP 19 3HB ASP 19 0.812 -12.667 5.125 154 H ALA 20 H ALA 20 2.287 -10.613 6.356 155 HA ALA 20 HA ALA 20 0.737 -8.181 6.673 156 HB1 ALA 20 1HB ALA 20 0.208 -10.574 8.430 157 HB2 ALA 20 2HB ALA 20 -0.486 -8.965 8.626 158 HB3 ALA 20 3HB ALA 20 -0.889 -9.931 7.207 159 H GLY 21 H GLY 21 3.577 -9.129 6.759 160 HA2 GLY 21 2HA GLY 21 4.948 -7.542 8.251 161 HA3 GLY 21 3HA GLY 21 4.237 -8.481 9.555 162 H LYS 22 H LYS 22 4.520 -10.725 7.298 163 HA LYS 22 HA LYS 22 6.589 -12.134 8.468 164 HB2 LYS 22 2HB LYS 22 5.330 -12.255 5.746 165 HB3 LYS 22 3HB LYS 22 6.691 -13.298 6.140 166 HG2 LYS 22 2HG LYS 22 4.289 -13.202 7.918 167 HG3 LYS 22 3HG LYS 22 4.290 -14.185 6.452 168 HD2 LYS 22 2HD LYS 22 6.534 -14.392 8.426 169 HD3 LYS 22 3HD LYS 22 5.020 -15.258 8.696 170 HE2 LYS 22 2HE LYS 22 6.288 -15.488 6.021 171 HE3 LYS 22 3HE LYS 22 7.057 -16.331 7.366 172 HZ1 LYS 22 3HZ LYS 22 4.163 -16.628 6.964 173 HZ2 LYS 22 1HZ LYS 22 5.270 -17.711 7.644 174 HZ3 LYS 22 2HZ LYS 22 5.220 -17.494 5.968 175 H ASP 23 H ASP 23 8.546 -11.232 8.773 176 HA ASP 23 HA ASP 23 9.840 -9.443 7.058 177 HB2 ASP 23 2HB ASP 23 11.935 -10.195 8.319 178 HB3 ASP 23 3HB ASP 23 10.619 -9.534 9.286 179 H THR 24 H THR 24 9.970 -10.047 4.946 180 HA THR 24 HA THR 24 11.350 -12.573 4.334 181 HB THR 24 HB THR 24 9.621 -10.861 2.537 182 HG1 THR 24 HG1 THR 24 9.182 -13.276 3.960 183 HG21 THR 24 3HG2 THR 24 9.782 -12.816 0.993 184 HG22 THR 24 1HG2 THR 24 11.027 -13.487 2.045 185 HG23 THR 24 2HG2 THR 24 11.305 -11.956 1.215 186 H PHE 25 H PHE 25 13.430 -12.391 3.855 187 HA PHE 25 HA PHE 25 14.544 -9.842 3.047 188 HB2 PHE 25 2HB PHE 25 15.784 -12.522 3.677 189 HB3 PHE 25 3HB PHE 25 16.723 -11.138 3.126 190 HD1 PHE 25 HD1 PHE 25 17.735 -9.860 4.732 191 HD2 PHE 25 HD2 PHE 25 14.149 -11.934 5.711 192 HE1 PHE 25 HE1 PHE 25 17.904 -9.051 7.050 193 HE2 PHE 25 HE2 PHE 25 14.312 -11.128 8.029 194 HZ PHE 25 HZ PHE 25 16.190 -9.684 8.702 195 H ILE 26 H ILE 26 15.470 -9.365 1.092 196 HA ILE 26 HA ILE 26 15.536 -11.411 -0.987 197 HB ILE 26 HB ILE 26 13.317 -10.440 -1.236 198 HG12 ILE 26 2HG1 ILE 26 13.486 -9.731 -3.574 199 HG13 ILE 26 3HG1 ILE 26 15.209 -9.433 -3.373 200 HG21 ILE 26 1HG2 ILE 26 13.997 -7.804 -2.118 201 HG22 ILE 26 2HG2 ILE 26 12.894 -8.299 -0.835 202 HG23 ILE 26 3HG2 ILE 26 14.604 -8.056 -0.482 203 HD11 ILE 26 3HD1 ILE 26 14.026 -12.141 -2.897 204 HD12 ILE 26 1HD1 ILE 26 14.488 -11.597 -4.510 205 HD13 ILE 26 2HD1 ILE 26 15.701 -11.705 -3.234 206 H LYS 27 H LYS 27 17.359 -11.258 -2.109 207 HA LYS 27 HA LYS 27 19.343 -9.381 -1.625 208 HB2 LYS 27 2HB LYS 27 20.486 -10.284 -3.563 209 HB3 LYS 27 3HB LYS 27 19.725 -11.591 -2.666 210 HG2 LYS 27 2HG LYS 27 18.603 -12.228 -4.461 211 HG3 LYS 27 3HG LYS 27 17.912 -10.615 -4.652 212 HD2 LYS 27 2HD LYS 27 19.525 -9.954 -6.147 213 HD3 LYS 27 3HD LYS 27 20.730 -11.075 -5.507 214 HE2 LYS 27 2HE LYS 27 19.224 -12.925 -6.440 215 HE3 LYS 27 3HE LYS 27 18.425 -11.642 -7.348 216 HZ1 LYS 27 3HZ LYS 27 20.751 -11.058 -8.148 217 HZ2 LYS 27 1HZ LYS 27 20.050 -12.463 -8.779 218 HZ3 LYS 27 2HZ LYS 27 21.220 -12.575 -7.564 219 H CYS 28 H CYS 28 20.372 -8.140 -3.625 220 HA CYS 28 HA CYS 28 18.248 -6.378 -4.654 221 HB2 CYS 28 2HB CYS 28 19.921 -5.375 -3.066 222 HB3 CYS 28 3HB CYS 28 21.167 -5.691 -4.269 223 HA PRO 29 HA PRO 29 19.999 -8.512 -8.363 224 HB2 PRO 29 2HB PRO 29 17.602 -8.787 -9.609 225 HB3 PRO 29 3HB PRO 29 18.211 -9.954 -8.429 226 HG2 PRO 29 2HG PRO 29 16.239 -7.734 -8.053 227 HG3 PRO 29 3HG PRO 29 16.183 -9.396 -7.437 228 HD2 PRO 29 2HD PRO 29 16.952 -7.300 -5.905 229 HD3 PRO 29 3HD PRO 29 17.618 -8.932 -5.694 230 H LYS 30 H LYS 30 18.049 -5.710 -7.800 231 HA LYS 30 HA LYS 30 17.705 -4.644 -10.319 232 HB2 LYS 30 2HB LYS 30 17.541 -3.715 -7.649 233 HB3 LYS 30 3HB LYS 30 18.509 -2.545 -8.536 234 HG2 LYS 30 2HG LYS 30 16.747 -2.236 -10.146 235 HG3 LYS 30 3HG LYS 30 15.790 -3.514 -9.394 236 HD2 LYS 30 2HD LYS 30 15.044 -2.155 -7.771 237 HD3 LYS 30 3HD LYS 30 16.628 -1.411 -7.540 238 HE2 LYS 30 2HE LYS 30 15.377 0.361 -8.331 239 HE3 LYS 30 3HE LYS 30 16.118 -0.250 -9.809 240 HZ1 LYS 30 3HZ LYS 30 13.967 -1.639 -9.969 241 HZ2 LYS 30 1HZ LYS 30 13.923 -0.005 -10.408 242 HZ3 LYS 30 2HZ LYS 30 13.329 -0.493 -8.901 243 H PHE 31 H PHE 31 20.414 -3.829 -8.140 244 HA PHE 31 HA PHE 31 22.074 -3.406 -10.537 245 HB2 PHE 31 2HB PHE 31 22.957 -1.965 -8.154 246 HB3 PHE 31 3HB PHE 31 22.736 -1.384 -9.802 247 HD1 PHE 31 HD1 PHE 31 21.011 -2.051 -6.609 248 HD2 PHE 31 HD2 PHE 31 20.806 -0.179 -10.426 249 HE1 PHE 31 HE1 PHE 31 18.989 -0.840 -5.903 250 HE2 PHE 31 HE2 PHE 31 18.784 1.035 -9.726 251 HZ PHE 31 HZ PHE 31 17.873 0.706 -7.462 252 H ASP 32 H ASP 32 23.325 -5.169 -10.650 253 HA ASP 32 HA ASP 32 24.223 -6.622 -8.371 254 HB2 ASP 32 2HB ASP 32 24.180 -6.999 -11.183 255 HB3 ASP 32 3HB ASP 32 25.854 -7.169 -10.661 256 H ASN 33 H ASN 33 25.241 -3.739 -9.733 257 HA ASN 33 HA ASN 33 27.971 -4.063 -8.679 258 HB2 ASN 33 2HB ASN 33 27.009 -2.962 -11.122 259 HB3 ASN 33 3HB ASN 33 27.708 -1.648 -10.180 260 HD21 ASN 33 2HD2 ASN 33 30.911 -3.455 -9.995 261 HD22 ASN 33 1HD2 ASN 33 29.739 -2.873 -8.867 262 H LYS 34 H LYS 34 24.983 -2.432 -8.288 263 HA LYS 34 HA LYS 34 26.206 -0.640 -6.292 264 HB2 LYS 34 2HB LYS 34 23.579 -0.125 -7.675 265 HB3 LYS 34 3HB LYS 34 24.552 1.002 -6.739 266 HG2 LYS 34 2HG LYS 34 25.372 -0.188 -9.381 267 HG3 LYS 34 3HG LYS 34 24.646 1.407 -9.170 268 HD2 LYS 34 2HD LYS 34 26.773 1.315 -7.358 269 HD3 LYS 34 3HD LYS 34 27.390 0.579 -8.839 270 HE2 LYS 34 2HE LYS 34 27.740 2.664 -9.556 271 HE3 LYS 34 3HE LYS 34 25.991 2.770 -9.754 272 HZ1 LYS 34 3HZ LYS 34 26.406 3.307 -7.111 273 HZ2 LYS 34 1HZ LYS 34 26.090 4.446 -8.321 274 HZ3 LYS 34 2HZ LYS 34 27.686 4.102 -7.880 275 H LYS 35 H LYS 35 25.104 -3.440 -6.110 276 HA LYS 35 HA LYS 35 22.642 -3.483 -4.798 277 HB2 LYS 35 2HB LYS 35 23.289 -5.656 -3.955 278 HB3 LYS 35 3HB LYS 35 23.846 -5.491 -5.615 279 HG2 LYS 35 2HG LYS 35 26.013 -4.608 -4.230 280 HG3 LYS 35 3HG LYS 35 25.368 -5.838 -3.141 281 HD2 LYS 35 2HD LYS 35 25.895 -7.529 -4.537 282 HD3 LYS 35 3HD LYS 35 25.465 -6.607 -5.979 283 HE2 LYS 35 2HE LYS 35 27.557 -5.649 -6.150 284 HE3 LYS 35 3HE LYS 35 27.911 -5.866 -4.437 285 HZ1 LYS 35 3HZ LYS 35 28.864 -7.424 -6.410 286 HZ2 LYS 35 1HZ LYS 35 27.532 -8.328 -5.890 287 HZ3 LYS 35 2HZ LYS 35 28.741 -7.896 -4.790 288 H CYS 36 H CYS 36 22.678 -4.438 -2.369 289 HA CYS 36 HA CYS 36 22.992 -2.311 -0.664 290 HB2 CYS 36 2HB CYS 36 23.253 -5.229 0.091 291 HB3 CYS 36 3HB CYS 36 22.835 -3.908 1.178 292 H THR 37 H THR 37 24.572 -1.511 0.648 293 HA THR 37 HA THR 37 27.184 -2.844 0.660 294 HB THR 37 HB THR 37 28.373 -0.783 0.188 295 HG1 THR 37 HG1 THR 37 27.142 0.878 0.838 296 HG21 THR 37 3HG2 THR 37 27.109 -2.288 -1.663 297 HG22 THR 37 1HG2 THR 37 28.177 -0.943 -2.062 298 HG23 THR 37 2HG2 THR 37 26.430 -0.703 -2.033 299 H LYS 38 H LYS 38 24.866 -2.170 2.558 300 HA LYS 38 HA LYS 38 26.570 -1.464 4.795 301 HB2 LYS 38 2HB LYS 38 24.874 0.478 3.562 302 HB3 LYS 38 3HB LYS 38 24.221 0.099 5.151 303 HG2 LYS 38 2HG LYS 38 27.132 0.587 4.988 304 HG3 LYS 38 3HG LYS 38 26.068 1.975 4.749 305 HD2 LYS 38 2HD LYS 38 25.100 0.479 6.966 306 HD3 LYS 38 3HD LYS 38 26.834 0.730 7.183 307 HE2 LYS 38 2HE LYS 38 26.604 3.079 7.057 308 HE3 LYS 38 3HE LYS 38 24.955 2.960 6.444 309 HZ1 LYS 38 3HZ LYS 38 24.639 1.727 8.741 310 HZ2 LYS 38 1HZ LYS 38 24.514 3.408 8.605 311 HZ3 LYS 38 2HZ LYS 38 25.944 2.710 9.179 312 H ASP 39 H ASP 39 25.521 -1.828 6.873 313 HA ASP 39 HA ASP 39 23.555 -3.986 6.675 314 HB2 ASP 39 2HB ASP 39 25.866 -3.800 8.127 315 HB3 ASP 39 3HB ASP 39 24.658 -3.347 9.326 316 H ASN 40 H ASN 40 21.496 -3.713 7.227 317 HA ASN 40 HA ASN 40 19.577 -2.811 8.048 318 HB2 ASN 40 2HB ASN 40 21.304 -1.348 10.049 319 HB3 ASN 40 3HB ASN 40 19.607 -1.791 10.215 320 HD21 ASN 40 2HD2 ASN 40 22.110 -4.147 11.907 321 HD22 ASN 40 1HD2 ASN 40 22.153 -2.429 11.727 322 H ASN 41 H ASN 41 20.957 -1.499 5.913 323 HA ASN 41 HA ASN 41 20.885 1.332 6.329 324 HB2 ASN 41 2HB ASN 41 21.373 1.517 3.974 325 HB3 ASN 41 3HB ASN 41 22.346 0.208 4.640 326 HD21 ASN 41 2HD2 ASN 41 21.220 -2.050 2.309 327 HD22 ASN 41 1HD2 ASN 41 22.453 -1.489 3.381 328 H LYS 42 H LYS 42 19.615 2.332 4.112 329 HA LYS 42 HA LYS 42 16.801 1.812 4.774 330 HB2 LYS 42 2HB LYS 42 17.847 4.185 3.242 331 HB3 LYS 42 3HB LYS 42 16.309 4.023 4.080 332 HG2 LYS 42 2HG LYS 42 18.067 3.657 6.118 333 HG3 LYS 42 3HG LYS 42 18.941 4.802 5.098 334 HD2 LYS 42 2HD LYS 42 16.070 5.348 5.606 335 HD3 LYS 42 3HD LYS 42 17.189 5.578 6.953 336 HE2 LYS 42 2HE LYS 42 18.101 6.706 4.404 337 HE3 LYS 42 3HE LYS 42 16.630 7.440 5.040 338 HZ1 LYS 42 3HZ LYS 42 18.085 8.681 6.189 339 HZ2 LYS 42 1HZ LYS 42 19.342 7.557 6.053 340 HZ3 LYS 42 2HZ LYS 42 18.147 7.350 7.231 341 H CYS 43 H CYS 43 15.933 0.362 3.432 342 HA CYS 43 HA CYS 43 16.357 0.740 0.542 343 HB2 CYS 43 2HB CYS 43 16.369 -1.623 0.188 344 HB3 CYS 43 3HB CYS 43 17.519 -1.291 1.479 345 H THR 44 H THR 44 14.557 -1.020 -0.458 346 HA THR 44 HA THR 44 12.005 -0.879 0.812 347 HB THR 44 HB THR 44 11.363 0.497 -1.535 348 HG1 THR 44 HG1 THR 44 13.306 2.039 -0.180 349 HG21 THR 44 3HG2 THR 44 10.142 0.757 0.507 350 HG22 THR 44 1HG2 THR 44 10.781 2.340 0.066 351 HG23 THR 44 2HG2 THR 44 11.559 1.398 1.338 352 H VAL 45 H VAL 45 10.809 -2.521 0.087 353 HA VAL 45 HA VAL 45 11.615 -3.810 -2.429 354 HB VAL 45 HB VAL 45 10.050 -4.938 -0.103 355 HG11 VAL 45 1HG1 VAL 45 9.256 -6.316 -1.695 356 HG12 VAL 45 2HG1 VAL 45 10.533 -5.899 -2.840 357 HG13 VAL 45 3HG1 VAL 45 10.842 -7.076 -1.563 358 HG21 VAL 45 3HG2 VAL 45 11.976 -5.652 0.773 359 HG22 VAL 45 1HG2 VAL 45 12.571 -6.207 -0.792 360 HG23 VAL 45 2HG2 VAL 45 12.772 -4.520 -0.320 361 H ASP 46 H ASP 46 10.278 -3.861 -4.120 362 HA ASP 46 HA ASP 46 7.532 -2.878 -3.732 363 HB2 ASP 46 2HB ASP 46 9.576 -2.245 -5.650 364 HB3 ASP 46 3HB ASP 46 8.171 -2.902 -6.486 365 H THR 47 H THR 47 5.963 -4.325 -3.866 366 HA THR 47 HA THR 47 6.496 -6.920 -5.090 367 HB THR 47 HB THR 47 5.481 -6.866 -2.840 368 HG1 THR 47 HG1 THR 47 3.565 -7.852 -4.690 369 HG21 THR 47 3HG2 THR 47 3.322 -6.015 -2.419 370 HG22 THR 47 1HG2 THR 47 2.978 -5.811 -4.136 371 HG23 THR 47 2HG2 THR 47 4.143 -4.753 -3.338 372 H TYR 48 H TYR 48 6.270 -4.777 -6.896 373 HA TYR 48 HA TYR 48 3.716 -5.414 -8.224 374 HB2 TYR 48 2HB TYR 48 3.956 -3.036 -7.404 375 HB3 TYR 48 3HB TYR 48 5.271 -2.845 -8.559 376 HD1 TYR 48 HD1 TYR 48 1.644 -3.325 -8.183 377 HD2 TYR 48 HD2 TYR 48 4.832 -2.639 -10.916 378 HE1 TYR 48 HE1 TYR 48 0.013 -2.750 -9.932 379 HE2 TYR 48 HE2 TYR 48 3.210 -2.062 -12.672 380 HH TYR 48 HH TYR 48 -0.086 -2.717 -12.416 381 H ASN 49 H ASN 49 7.164 -4.894 -8.566 382 HA ASN 49 HA ASN 49 7.099 -6.356 -11.091 383 HB2 ASN 49 2HB ASN 49 8.880 -4.623 -11.913 384 HB3 ASN 49 3HB ASN 49 7.165 -4.250 -12.064 385 HD21 ASN 49 2HD2 ASN 49 9.546 -2.166 -9.508 386 HD22 ASN 49 1HD2 ASN 49 10.072 -3.650 -10.218 387 H ASN 50 H ASN 50 8.086 -6.531 -8.170 388 HA ASN 50 HA ASN 50 9.869 -7.364 -7.021 389 HB2 ASN 50 2HB ASN 50 9.313 -9.119 -8.912 390 HB3 ASN 50 3HB ASN 50 10.889 -8.633 -9.529 391 HD21 ASN 50 2HD2 ASN 50 12.669 -10.539 -7.278 392 HD22 ASN 50 1HD2 ASN 50 12.632 -9.563 -8.703 393 H ALA 51 H ALA 51 10.909 -5.371 -6.664 394 HA ALA 51 HA ALA 51 13.563 -5.233 -7.725 395 HB1 ALA 51 1HB ALA 51 11.996 -4.090 -9.445 396 HB2 ALA 51 2HB ALA 51 11.955 -2.772 -8.274 397 HB3 ALA 51 3HB ALA 51 13.491 -3.284 -8.970 398 H VAL 52 H VAL 52 14.685 -4.856 -5.938 399 HA VAL 52 HA VAL 52 13.517 -3.292 -3.773 400 HB VAL 52 HB VAL 52 14.795 -5.536 -3.504 401 HG11 VAL 52 1HG1 VAL 52 16.767 -4.743 -4.813 402 HG12 VAL 52 2HG1 VAL 52 17.140 -3.642 -3.485 403 HG13 VAL 52 3HG1 VAL 52 17.166 -5.386 -3.221 404 HG21 VAL 52 3HG2 VAL 52 14.398 -4.879 -1.412 405 HG22 VAL 52 1HG2 VAL 52 16.001 -4.142 -1.423 406 HG23 VAL 52 2HG2 VAL 52 14.584 -3.178 -1.841 407 H ASP 53 H ASP 53 14.377 -1.408 -2.962 408 HA ASP 53 HA ASP 53 16.233 -0.012 -4.751 409 HB2 ASP 53 2HB ASP 53 14.090 0.871 -2.865 410 HB3 ASP 53 3HB ASP 53 15.421 1.973 -3.204 411 H CYS 54 H CYS 54 17.673 -1.725 -3.416 412 HA CYS 54 HA CYS 54 18.495 -1.236 -0.828 413 HB2 CYS 54 2HB CYS 54 20.722 -2.181 -1.582 414 HB3 CYS 54 3HB CYS 54 19.314 -3.178 -1.932 415 H ASP 55 H ASP 55 19.935 0.116 0.161 416 HA ASP 55 HA ASP 55 20.287 2.694 -0.831 417 HB2 ASP 55 2HB ASP 55 20.479 1.824 1.590 418 HB3 ASP 55 3HB ASP 55 22.157 1.470 1.185
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